NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
649908 |
6ytc   |
34514 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ytc
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 920
_Distance_constraint_stats_list.Viol_count 934
_Distance_constraint_stats_list.Viol_total 627.521
_Distance_constraint_stats_list.Viol_max 0.805
_Distance_constraint_stats_list.Viol_rms 0.0196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0336
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.031 0.008 10 0 "[ . 1 . 2]"
1 12 ASN 0.633 0.052 18 0 "[ . 1 . 2]"
1 13 VAL 0.135 0.018 12 0 "[ . 1 . 2]"
1 14 THR 0.218 0.048 19 0 "[ . 1 . 2]"
1 15 SER 0.301 0.048 19 0 "[ . 1 . 2]"
1 16 LYS 0.190 0.034 10 0 "[ . 1 . 2]"
1 17 THR 0.242 0.087 8 0 "[ . 1 . 2]"
1 18 ASP 0.003 0.003 5 0 "[ . 1 . 2]"
1 19 GLY 0.048 0.025 7 0 "[ . 1 . 2]"
1 20 GLN 0.507 0.087 8 0 "[ . 1 . 2]"
1 21 PRO 0.488 0.064 20 0 "[ . 1 . 2]"
1 22 ILE 0.253 0.070 19 0 "[ . 1 . 2]"
1 23 ILE 0.273 0.047 13 0 "[ . 1 . 2]"
1 24 GLY 0.243 0.039 20 0 "[ . 1 . 2]"
1 25 ALA 0.058 0.028 19 0 "[ . 1 . 2]"
1 26 SER 0.453 0.078 1 0 "[ . 1 . 2]"
1 27 VAL 0.418 0.078 1 0 "[ . 1 . 2]"
1 28 VAL 0.632 0.039 18 0 "[ . 1 . 2]"
1 29 GLU 0.495 0.046 6 0 "[ . 1 . 2]"
1 30 THR 0.180 0.055 19 0 "[ . 1 . 2]"
1 31 THR 0.079 0.019 14 0 "[ . 1 . 2]"
1 32 ALA 0.038 0.020 7 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.432 0.090 15 0 "[ . 1 . 2]"
1 35 ASN 0.413 0.046 6 0 "[ . 1 . 2]"
1 36 GLY 0.884 0.090 15 0 "[ . 1 . 2]"
1 37 THR 1.217 0.091 6 0 "[ . 1 . 2]"
1 38 ILE 0.191 0.039 20 0 "[ . 1 . 2]"
1 39 THR 0.462 0.070 19 0 "[ . 1 . 2]"
1 40 ASP 0.151 0.096 2 0 "[ . 1 . 2]"
1 41 PHE 0.581 0.446 8 0 "[ . 1 . 2]"
1 42 ASP 0.016 0.011 13 0 "[ . 1 . 2]"
1 43 GLY 0.569 0.064 20 0 "[ . 1 . 2]"
1 44 ASN 0.206 0.096 2 0 "[ . 1 . 2]"
1 45 PHE 0.469 0.029 5 0 "[ . 1 . 2]"
1 46 THR 0.017 0.007 16 0 "[ . 1 . 2]"
1 47 LEU 0.400 0.142 13 0 "[ . 1 . 2]"
1 48 SER 0.248 0.142 13 0 "[ . 1 . 2]"
1 49 VAL 0.118 0.026 16 0 "[ . 1 . 2]"
1 50 PRO 0.006 0.006 11 0 "[ . 1 . 2]"
1 51 VAL 0.008 0.006 11 0 "[ . 1 . 2]"
1 52 ASN 0.114 0.112 17 0 "[ . 1 . 2]"
1 53 SER 0.635 0.488 15 0 "[ . 1 . 2]"
1 54 THR 0.573 0.488 15 0 "[ . 1 . 2]"
1 55 LEU 0.242 0.030 17 0 "[ . 1 . 2]"
1 56 LYS 0.839 0.055 19 0 "[ . 1 . 2]"
1 57 ILE 0.931 0.080 4 0 "[ . 1 . 2]"
1 58 THR 0.207 0.024 20 0 "[ . 1 . 2]"
1 59 TYR 0.655 0.073 19 0 "[ . 1 . 2]"
1 60 ILE 0.496 0.048 19 0 "[ . 1 . 2]"
1 61 GLY 0.002 0.002 2 0 "[ . 1 . 2]"
1 62 TYR 4.413 0.254 19 0 "[ . 1 . 2]"
1 63 LYS 0.736 0.069 6 0 "[ . 1 . 2]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.678 0.080 4 0 "[ . 1 . 2]"
1 66 THR 0.453 0.044 19 0 "[ . 1 . 2]"
1 67 VAL 0.172 0.030 17 0 "[ . 1 . 2]"
1 68 LYS 0.018 0.005 19 0 "[ . 1 . 2]"
1 69 ALA 0.090 0.012 16 0 "[ . 1 . 2]"
1 70 ALA 0.031 0.009 14 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.053 0.007 19 0 "[ . 1 . 2]"
1 73 VAL 0.140 0.015 18 0 "[ . 1 . 2]"
1 74 ASN 0.379 0.052 18 0 "[ . 1 . 2]"
1 75 VAL 0.129 0.029 3 0 "[ . 1 . 2]"
1 76 LEU 0.419 0.168 5 0 "[ . 1 . 2]"
1 77 LEU 4.902 0.254 19 0 "[ . 1 . 2]"
1 78 GLU 0.433 0.060 10 0 "[ . 1 . 2]"
1 79 GLU 9.595 0.394 6 0 "[ . 1 . 2]"
1 80 ASP 2.785 0.105 10 0 "[ . 1 . 2]"
1 81 THR 0.265 0.091 12 0 "[ . 1 . 2]"
1 82 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 MET 0.002 0.001 3 0 "[ . 1 . 2]"
1 84 VAL 0.254 0.208 11 0 "[ . 1 . 2]"
1 85 ASP 0.292 0.208 11 0 "[ . 1 . 2]"
1 86 GLU 0.040 0.039 5 0 "[ . 1 . 2]"
1 87 VAL 0.746 0.219 8 0 "[ . 1 . 2]"
1 88 VAL 0.173 0.168 12 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 0.017 0.017 19 0 "[ . 1 . 2]"
1 92 TYR 3.796 0.805 20 4 "[ .* - 1 . *+]"
1 93 THR 3.895 0.805 20 4 "[ .* - 1 . *+]"
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 9 THR H 1 9 THR HB . . 3.230 2.846 2.519 3.209 . 0 0 "[ . 1 . 2]" 1
2 1 9 THR H 1 9 THR HG1 . . 5.280 3.560 2.454 4.805 . 0 0 "[ . 1 . 2]" 1
3 1 9 THR H 1 9 THR MG . . 3.870 3.329 2.039 3.868 . 0 0 "[ . 1 . 2]" 1
4 1 9 THR H 1 10 LYS H . . 4.620 4.515 4.382 4.612 . 0 0 "[ . 1 . 2]" 1
5 1 9 THR HA 1 9 THR HG1 . . 4.080 2.722 2.363 3.496 . 0 0 "[ . 1 . 2]" 1
6 1 9 THR HA 1 9 THR MG . . 3.380 2.484 1.998 3.206 . 0 0 "[ . 1 . 2]" 1
7 1 9 THR HA 1 10 LYS H . . 2.720 2.320 2.141 2.515 . 0 0 "[ . 1 . 2]" 1
8 1 9 THR HB 1 10 LYS H . . 4.100 3.685 2.890 4.085 . 0 0 "[ . 1 . 2]" 1
9 1 9 THR HG1 1 10 LYS H . . 4.630 3.934 2.231 4.628 . 0 0 "[ . 1 . 2]" 1
10 1 9 THR MG 1 10 LYS H . . 3.320 2.529 2.017 3.319 . 0 0 "[ . 1 . 2]" 1
11 1 10 LYS H 1 10 LYS QB . . 3.600 2.597 2.189 3.121 . 0 0 "[ . 1 . 2]" 1
12 1 10 LYS H 1 10 LYS HG2 . . 5.030 3.462 2.071 4.612 . 0 0 "[ . 1 . 2]" 1
13 1 10 LYS H 1 10 LYS QG . . 4.260 2.746 1.992 4.056 . 0 0 "[ . 1 . 2]" 1
14 1 10 LYS H 1 10 LYS HG3 . . 5.030 3.230 2.006 4.498 . 0 0 "[ . 1 . 2]" 1
15 1 10 LYS H 1 11 GLY H . . 4.790 4.316 3.972 4.588 . 0 0 "[ . 1 . 2]" 1
16 1 10 LYS HA 1 10 LYS QG . . 3.720 2.668 2.290 3.433 . 0 0 "[ . 1 . 2]" 1
17 1 10 LYS HA 1 11 GLY H . . 2.790 2.312 2.145 2.697 . 0 0 "[ . 1 . 2]" 1
18 1 10 LYS QB 1 11 GLY H . . 4.130 3.048 1.921 3.988 . 0 0 "[ . 1 . 2]" 1
19 1 10 LYS HB2 1 11 GLY H . . 4.730 3.827 2.707 4.633 . 0 0 "[ . 1 . 2]" 1
20 1 10 LYS HB3 1 11 GLY H . . 4.730 3.373 1.942 4.374 . 0 0 "[ . 1 . 2]" 1
21 1 10 LYS QD 1 10 LYS QG . . 2.360 2.055 2.007 2.087 . 0 0 "[ . 1 . 2]" 1
22 1 10 LYS QE 1 10 LYS QG . . 3.340 2.211 2.047 2.701 . 0 0 "[ . 1 . 2]" 1
23 1 10 LYS QG 1 11 GLY H . . 4.720 4.081 3.395 4.568 . 0 0 "[ . 1 . 2]" 1
24 1 10 LYS HG2 1 11 GLY H . . 5.500 4.560 3.772 5.302 . 0 0 "[ . 1 . 2]" 1
25 1 10 LYS HG3 1 11 GLY H . . 5.500 4.735 3.794 5.488 . 0 0 "[ . 1 . 2]" 1
26 1 11 GLY H 1 12 ASN H . . 4.590 4.054 3.469 4.592 0.002 9 0 "[ . 1 . 2]" 1
27 1 11 GLY H 1 73 VAL H . . 4.140 2.915 2.095 4.143 0.003 9 0 "[ . 1 . 2]" 1
28 1 11 GLY H 1 73 VAL QG . . 4.960 3.582 2.848 4.386 . 0 0 "[ . 1 . 2]" 1
29 1 11 GLY QA 1 12 ASN H . . 2.810 2.139 2.111 2.213 . 0 0 "[ . 1 . 2]" 1
30 1 11 GLY QA 1 13 VAL H . . 5.340 5.261 5.116 5.348 0.008 10 0 "[ . 1 . 2]" 1
31 1 11 GLY QA 1 73 VAL H . . 3.590 2.204 1.933 2.801 . 0 0 "[ . 1 . 2]" 1
32 1 11 GLY HA2 1 12 ASN H . . 3.560 2.177 2.138 2.303 . 0 0 "[ . 1 . 2]" 1
33 1 11 GLY HA2 1 73 VAL H . . 4.270 2.219 1.942 2.840 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLY HA3 1 12 ASN H . . 3.560 3.188 2.864 3.453 . 0 0 "[ . 1 . 2]" 1
35 1 11 GLY HA3 1 73 VAL H . . 4.270 3.778 3.358 4.272 0.002 17 0 "[ . 1 . 2]" 1
36 1 12 ASN H 1 12 ASN QB . . 3.320 2.654 2.417 2.784 . 0 0 "[ . 1 . 2]" 1
37 1 12 ASN H 1 12 ASN HD21 . . 4.810 4.694 4.638 4.817 0.007 5 0 "[ . 1 . 2]" 1
38 1 12 ASN H 1 13 VAL H . . 4.850 4.156 4.001 4.366 . 0 0 "[ . 1 . 2]" 1
39 1 12 ASN H 1 45 PHE H . . 5.500 5.450 5.232 5.511 0.011 4 0 "[ . 1 . 2]" 1
40 1 12 ASN H 1 73 VAL H . . 4.070 3.391 3.068 3.868 . 0 0 "[ . 1 . 2]" 1
41 1 12 ASN H 1 73 VAL HB . . 5.500 4.864 3.231 5.515 0.015 18 0 "[ . 1 . 2]" 1
42 1 12 ASN H 1 73 VAL MG1 . . 4.640 3.306 2.632 4.381 . 0 0 "[ . 1 . 2]" 1
43 1 12 ASN H 1 73 VAL QG . . 4.000 3.180 2.606 4.007 0.007 10 0 "[ . 1 . 2]" 1
44 1 12 ASN H 1 73 VAL MG2 . . 4.640 4.432 4.048 4.651 0.011 12 0 "[ . 1 . 2]" 1
45 1 12 ASN H 1 74 ASN H . . 5.220 4.927 4.726 5.087 . 0 0 "[ . 1 . 2]" 1
46 1 12 ASN H 1 74 ASN HA . . 3.630 3.299 3.008 3.639 0.009 10 0 "[ . 1 . 2]" 1
47 1 12 ASN H 1 75 VAL H . . 4.790 4.405 4.031 4.787 . 0 0 "[ . 1 . 2]" 1
48 1 12 ASN HA 1 12 ASN HD21 . . 3.930 2.166 1.973 2.291 . 0 0 "[ . 1 . 2]" 1
49 1 12 ASN HA 1 12 ASN HD22 . . 4.560 3.735 3.548 3.813 . 0 0 "[ . 1 . 2]" 1
50 1 12 ASN HA 1 13 VAL H . . 2.730 2.148 2.139 2.162 . 0 0 "[ . 1 . 2]" 1
51 1 12 ASN HA 1 44 ASN HA . . 3.670 2.512 2.234 2.940 . 0 0 "[ . 1 . 2]" 1
52 1 12 ASN HA 1 45 PHE H . . 4.730 4.156 3.978 4.394 . 0 0 "[ . 1 . 2]" 1
53 1 12 ASN QB 1 13 VAL H . . 3.900 3.761 3.705 3.821 . 0 0 "[ . 1 . 2]" 1
54 1 12 ASN HB2 1 13 VAL H . . 4.580 4.119 4.032 4.219 . 0 0 "[ . 1 . 2]" 1
55 1 12 ASN HB3 1 13 VAL H . . 4.580 4.349 4.217 4.428 . 0 0 "[ . 1 . 2]" 1
56 1 12 ASN HD21 1 13 VAL H . . 4.390 2.358 2.099 2.747 . 0 0 "[ . 1 . 2]" 1
57 1 12 ASN HD21 1 14 THR MG . . 4.740 3.720 3.494 4.156 . 0 0 "[ . 1 . 2]" 1
58 1 12 ASN HD21 1 21 PRO HB2 . . 5.320 5.059 4.347 5.334 0.014 8 0 "[ . 1 . 2]" 1
59 1 12 ASN HD21 1 43 GLY H . . 5.500 5.135 4.970 5.319 . 0 0 "[ . 1 . 2]" 1
60 1 12 ASN HD21 1 43 GLY HA2 . . 5.170 4.245 4.008 4.656 . 0 0 "[ . 1 . 2]" 1
61 1 12 ASN HD21 1 43 GLY HA3 . . 4.520 3.010 2.789 3.308 . 0 0 "[ . 1 . 2]" 1
62 1 12 ASN HD21 1 44 ASN H . . 5.020 4.331 4.221 4.486 . 0 0 "[ . 1 . 2]" 1
63 1 12 ASN HD21 1 44 ASN HA . . 4.320 3.503 3.345 3.629 . 0 0 "[ . 1 . 2]" 1
64 1 12 ASN HD21 1 74 ASN HD21 . . 4.820 4.829 4.736 4.872 0.052 18 0 "[ . 1 . 2]" 1
65 1 12 ASN HD21 1 74 ASN HD22 . . 5.430 5.341 5.074 5.434 0.004 15 0 "[ . 1 . 2]" 1
66 1 12 ASN HD22 1 13 VAL H . . 4.660 3.410 3.152 3.662 . 0 0 "[ . 1 . 2]" 1
67 1 12 ASN HD22 1 14 THR H . . 5.500 4.915 4.483 5.505 0.005 6 0 "[ . 1 . 2]" 1
68 1 12 ASN HD22 1 14 THR MG . . 4.560 2.399 2.115 2.768 . 0 0 "[ . 1 . 2]" 1
69 1 12 ASN HD22 1 21 PRO HB2 . . 4.820 4.505 3.806 4.823 0.003 7 0 "[ . 1 . 2]" 1
70 1 12 ASN HD22 1 43 GLY HA2 . . 5.270 4.809 4.600 5.244 . 0 0 "[ . 1 . 2]" 1
71 1 12 ASN HD22 1 43 GLY HA3 . . 4.560 3.183 2.990 3.565 . 0 0 "[ . 1 . 2]" 1
72 1 12 ASN HD22 1 44 ASN H . . 5.500 5.473 5.295 5.511 0.011 14 0 "[ . 1 . 2]" 1
73 1 12 ASN HD22 1 44 ASN HA . . 5.260 5.181 5.033 5.283 0.023 19 0 "[ . 1 . 2]" 1
74 1 12 ASN HD22 1 74 ASN HD21 . . 5.500 4.757 4.418 5.044 . 0 0 "[ . 1 . 2]" 1
75 1 13 VAL H 1 13 VAL HB . . 3.150 2.642 2.566 2.725 . 0 0 "[ . 1 . 2]" 1
76 1 13 VAL H 1 13 VAL MG1 . . 4.050 3.850 3.819 3.889 . 0 0 "[ . 1 . 2]" 1
77 1 13 VAL H 1 13 VAL MG2 . . 4.120 2.651 2.396 2.832 . 0 0 "[ . 1 . 2]" 1
78 1 13 VAL H 1 14 THR H . . 4.610 4.398 4.267 4.465 . 0 0 "[ . 1 . 2]" 1
79 1 13 VAL H 1 43 GLY HA2 . . 4.680 4.098 3.694 4.304 . 0 0 "[ . 1 . 2]" 1
80 1 13 VAL H 1 43 GLY HA3 . . 4.010 3.544 2.724 3.909 . 0 0 "[ . 1 . 2]" 1
81 1 13 VAL H 1 44 ASN HA . . 3.960 3.492 3.138 3.968 0.008 15 0 "[ . 1 . 2]" 1
82 1 13 VAL H 1 45 PHE H . . 5.370 5.275 5.025 5.388 0.018 12 0 "[ . 1 . 2]" 1
83 1 13 VAL HA 1 75 VAL H . . 3.540 2.721 2.499 3.144 . 0 0 "[ . 1 . 2]" 1
84 1 13 VAL HA 1 75 VAL HB . . 4.440 3.247 1.999 4.173 . 0 0 "[ . 1 . 2]" 1
85 1 13 VAL HB 1 14 THR H . . 4.280 4.123 4.000 4.232 . 0 0 "[ . 1 . 2]" 1
86 1 13 VAL HB 1 14 THR HA . . 4.850 4.686 4.538 4.794 . 0 0 "[ . 1 . 2]" 1
87 1 13 VAL HB 1 22 ILE H . . 4.260 3.874 3.380 4.158 . 0 0 "[ . 1 . 2]" 1
88 1 13 VAL HB 1 22 ILE HB . . 5.500 2.805 2.105 3.624 . 0 0 "[ . 1 . 2]" 1
89 1 13 VAL HB 1 22 ILE MD . . 5.500 5.035 4.612 5.507 0.007 6 0 "[ . 1 . 2]" 1
90 1 13 VAL MG1 1 14 THR H . . 3.200 2.376 2.087 2.772 . 0 0 "[ . 1 . 2]" 1
91 1 13 VAL MG1 1 15 SER H . . 5.150 4.965 4.792 5.165 0.015 2 0 "[ . 1 . 2]" 1
92 1 13 VAL MG1 1 22 ILE H . . 4.130 3.918 3.337 4.143 0.013 16 0 "[ . 1 . 2]" 1
93 1 13 VAL MG1 1 22 ILE HB . . 5.500 2.661 2.004 3.274 . 0 0 "[ . 1 . 2]" 1
94 1 13 VAL MG1 1 75 VAL H . . 4.390 3.998 3.419 4.395 0.005 2 0 "[ . 1 . 2]" 1
95 1 13 VAL MG1 1 75 VAL HB . . 4.070 2.810 2.352 3.694 . 0 0 "[ . 1 . 2]" 1
96 1 14 THR H 1 14 THR HB . . 3.880 3.689 3.410 3.807 . 0 0 "[ . 1 . 2]" 1
97 1 14 THR H 1 14 THR HG1 . . 4.410 3.191 2.554 3.673 . 0 0 "[ . 1 . 2]" 1
98 1 14 THR H 1 14 THR MG . . 3.740 3.362 3.150 3.686 . 0 0 "[ . 1 . 2]" 1
99 1 14 THR H 1 21 PRO HA . . 5.140 4.953 4.594 5.152 0.012 9 0 "[ . 1 . 2]" 1
100 1 14 THR H 1 75 VAL H . . 4.460 3.650 3.069 3.939 . 0 0 "[ . 1 . 2]" 1
101 1 14 THR H 1 76 LEU HA . . 3.420 3.199 2.788 3.437 0.017 19 0 "[ . 1 . 2]" 1
102 1 14 THR H 1 77 LEU H . . 4.360 4.230 4.091 4.378 0.018 9 0 "[ . 1 . 2]" 1
103 1 14 THR HA 1 14 THR MG . . 3.090 2.184 2.052 2.262 . 0 0 "[ . 1 . 2]" 1
104 1 14 THR HA 1 15 SER H . . 2.820 2.462 2.292 2.603 . 0 0 "[ . 1 . 2]" 1
105 1 14 THR HA 1 15 SER QB . . 4.130 4.085 4.040 4.168 0.038 16 0 "[ . 1 . 2]" 1
106 1 14 THR HA 1 21 PRO HA . . 3.540 2.509 2.246 2.677 . 0 0 "[ . 1 . 2]" 1
107 1 14 THR HA 1 22 ILE H . . 3.320 2.593 2.321 2.962 . 0 0 "[ . 1 . 2]" 1
108 1 14 THR HA 1 22 ILE MD . . 5.500 3.108 2.603 3.494 . 0 0 "[ . 1 . 2]" 1
109 1 14 THR HB 1 15 SER H . . 3.160 2.314 2.013 2.768 . 0 0 "[ . 1 . 2]" 1
110 1 14 THR HB 1 19 GLY H . . 5.050 4.716 4.438 5.051 0.001 1 0 "[ . 1 . 2]" 1
111 1 14 THR HB 1 20 GLN H . . 4.590 4.029 3.555 4.594 0.004 8 0 "[ . 1 . 2]" 1
112 1 14 THR HB 1 22 ILE H . . 5.410 5.081 4.815 5.371 . 0 0 "[ . 1 . 2]" 1
113 1 14 THR MG 1 15 SER H . . 3.410 3.212 2.482 3.458 0.048 19 0 "[ . 1 . 2]" 1
114 1 14 THR MG 1 15 SER QB . . 5.280 4.673 3.975 4.888 . 0 0 "[ . 1 . 2]" 1
115 1 14 THR MG 1 19 GLY H . . 5.410 5.302 4.786 5.401 . 0 0 "[ . 1 . 2]" 1
116 1 14 THR MG 1 19 GLY QA . . 4.120 3.808 3.176 4.000 . 0 0 "[ . 1 . 2]" 1
117 1 14 THR MG 1 20 GLN H . . 4.160 4.118 3.685 4.181 0.021 16 0 "[ . 1 . 2]" 1
118 1 14 THR MG 1 21 PRO HA . . 3.340 1.961 1.888 2.312 . 0 0 "[ . 1 . 2]" 1
119 1 15 SER H 1 15 SER HB2 . . 3.480 2.506 2.149 3.486 0.006 7 0 "[ . 1 . 2]" 1
120 1 15 SER H 1 15 SER QB . . 3.020 2.269 2.126 2.362 . 0 0 "[ . 1 . 2]" 1
121 1 15 SER H 1 15 SER HB3 . . 3.480 2.845 2.162 3.382 . 0 0 "[ . 1 . 2]" 1
122 1 15 SER H 1 16 LYS H . . 4.820 4.581 4.545 4.618 . 0 0 "[ . 1 . 2]" 1
123 1 15 SER H 1 19 GLY QA . . 4.400 3.726 2.927 4.342 . 0 0 "[ . 1 . 2]" 1
124 1 15 SER H 1 20 GLN H . . 3.770 3.242 3.024 3.614 . 0 0 "[ . 1 . 2]" 1
125 1 15 SER H 1 20 GLN QB . . 4.830 4.304 3.924 4.857 0.027 15 0 "[ . 1 . 2]" 1
126 1 15 SER H 1 21 PRO HA . . 4.250 4.128 3.976 4.267 0.017 12 0 "[ . 1 . 2]" 1
127 1 15 SER H 1 22 ILE H . . 4.690 4.522 4.188 4.708 0.018 16 0 "[ . 1 . 2]" 1
128 1 15 SER H 1 22 ILE MD . . 4.020 2.778 2.228 3.422 . 0 0 "[ . 1 . 2]" 1
129 1 15 SER H 1 22 ILE QG . . 3.770 3.292 2.924 3.740 . 0 0 "[ . 1 . 2]" 1
130 1 15 SER H 1 77 LEU H . . 4.680 4.381 4.099 4.593 . 0 0 "[ . 1 . 2]" 1
131 1 15 SER HA 1 22 ILE MD . . 5.500 2.625 2.279 2.976 . 0 0 "[ . 1 . 2]" 1
132 1 15 SER QB 1 17 THR H . . 4.360 2.563 2.121 3.256 . 0 0 "[ . 1 . 2]" 1
133 1 15 SER QB 1 18 ASP H . . 4.140 3.075 2.736 3.938 . 0 0 "[ . 1 . 2]" 1
134 1 15 SER QB 1 19 GLY H . . 3.780 3.059 2.176 3.805 0.025 7 0 "[ . 1 . 2]" 1
135 1 15 SER QB 1 20 GLN H . . 3.510 3.036 2.240 3.348 . 0 0 "[ . 1 . 2]" 1
136 1 16 LYS H 1 16 LYS HB2 . . 3.080 2.519 2.353 2.816 . 0 0 "[ . 1 . 2]" 1
137 1 16 LYS H 1 16 LYS QB . . 2.690 2.325 2.267 2.403 . 0 0 "[ . 1 . 2]" 1
138 1 16 LYS H 1 16 LYS HB3 . . 3.080 2.766 2.552 2.963 . 0 0 "[ . 1 . 2]" 1
139 1 16 LYS H 1 17 THR H . . 3.250 2.564 2.093 2.705 . 0 0 "[ . 1 . 2]" 1
140 1 16 LYS H 1 22 ILE MD . . 4.650 4.476 4.238 4.646 . 0 0 "[ . 1 . 2]" 1
141 1 16 LYS H 1 76 LEU HA . . 4.750 4.609 4.386 4.760 0.010 12 0 "[ . 1 . 2]" 1
142 1 16 LYS H 1 76 LEU QB . . 4.300 3.838 3.504 4.300 0.000 1 0 "[ . 1 . 2]" 1
143 1 16 LYS H 1 76 LEU QD . . 4.530 4.331 3.347 4.541 0.011 13 0 "[ . 1 . 2]" 1
144 1 16 LYS H 1 77 LEU H . . 3.640 2.957 2.713 3.185 . 0 0 "[ . 1 . 2]" 1
145 1 16 LYS H 1 77 LEU HB3 . . 4.740 3.220 3.050 3.479 . 0 0 "[ . 1 . 2]" 1
146 1 16 LYS H 1 77 LEU QD . . 5.140 4.437 4.268 4.667 . 0 0 "[ . 1 . 2]" 1
147 1 16 LYS H 1 78 GLU H . . 5.230 5.010 4.849 5.092 . 0 0 "[ . 1 . 2]" 1
148 1 16 LYS H 1 79 GLU H . . 5.490 5.212 4.887 5.462 . 0 0 "[ . 1 . 2]" 1
149 1 16 LYS HA 1 16 LYS HD2 . . 5.250 4.440 3.989 4.728 . 0 0 "[ . 1 . 2]" 1
150 1 16 LYS HA 1 16 LYS QD . . 4.500 3.859 3.228 4.035 . 0 0 "[ . 1 . 2]" 1
151 1 16 LYS HA 1 16 LYS HD3 . . 5.250 4.290 3.410 4.681 . 0 0 "[ . 1 . 2]" 1
152 1 16 LYS HA 1 16 LYS HG2 . . 4.250 2.531 2.113 2.925 . 0 0 "[ . 1 . 2]" 1
153 1 16 LYS HA 1 16 LYS QG . . 3.660 2.276 2.082 2.372 . 0 0 "[ . 1 . 2]" 1
154 1 16 LYS HA 1 16 LYS HG3 . . 4.250 2.840 2.281 3.441 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS HA 1 17 THR HA . . 4.800 4.627 4.602 4.738 . 0 0 "[ . 1 . 2]" 1
156 1 16 LYS HA 1 76 LEU QB . . 4.010 3.093 2.238 4.003 . 0 0 "[ . 1 . 2]" 1
157 1 16 LYS HA 1 76 LEU QD . . 3.500 2.805 1.916 3.524 0.024 12 0 "[ . 1 . 2]" 1
158 1 16 LYS QB 1 17 THR H . . 3.700 3.578 3.175 3.690 . 0 0 "[ . 1 . 2]" 1
159 1 16 LYS QB 1 77 LEU H . . 5.030 3.293 3.110 3.480 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS HB2 1 17 THR H . . 4.530 4.331 3.981 4.448 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS HB3 1 17 THR H . . 4.530 3.820 3.312 4.003 . 0 0 "[ . 1 . 2]" 1
162 1 16 LYS QD 1 78 GLU HA . . 4.180 3.240 2.783 3.722 . 0 0 "[ . 1 . 2]" 1
163 1 16 LYS QD 1 78 GLU QG . . 3.760 3.158 2.146 3.794 0.034 10 0 "[ . 1 . 2]" 1
164 1 16 LYS QG 1 76 LEU HA . . 5.330 4.856 4.377 5.334 0.004 2 0 "[ . 1 . 2]" 1
165 1 16 LYS QG 1 76 LEU QB . . 3.540 2.556 2.144 3.103 . 0 0 "[ . 1 . 2]" 1
166 1 17 THR H 1 17 THR HB . . 3.980 3.512 3.279 3.684 . 0 0 "[ . 1 . 2]" 1
167 1 17 THR H 1 17 THR HG1 . . 2.760 2.217 1.934 2.717 . 0 0 "[ . 1 . 2]" 1
168 1 17 THR H 1 17 THR MG . . 3.830 3.003 2.388 3.520 . 0 0 "[ . 1 . 2]" 1
169 1 17 THR H 1 18 ASP H . . 3.690 2.516 2.478 2.692 . 0 0 "[ . 1 . 2]" 1
170 1 17 THR H 1 19 GLY H . . 4.100 3.264 3.214 3.490 . 0 0 "[ . 1 . 2]" 1
171 1 17 THR H 1 20 GLN H . . 4.870 4.707 4.614 4.957 0.087 8 0 "[ . 1 . 2]" 1
172 1 17 THR H 1 22 ILE MD . . 5.500 5.237 5.079 5.507 0.007 9 0 "[ . 1 . 2]" 1
173 1 17 THR H 1 77 LEU H . . 5.500 5.237 4.944 5.474 . 0 0 "[ . 1 . 2]" 1
174 1 17 THR HB 1 18 ASP H . . 3.450 2.926 2.508 3.344 . 0 0 "[ . 1 . 2]" 1
175 1 17 THR HG1 1 17 THR MG . . 3.480 2.651 2.120 3.017 . 0 0 "[ . 1 . 2]" 1
176 1 17 THR HG1 1 18 ASP H . . 2.480 2.320 1.941 2.483 0.003 5 0 "[ . 1 . 2]" 1
177 1 17 THR HG1 1 19 GLY H . . 3.780 3.639 3.213 3.783 0.003 7 0 "[ . 1 . 2]" 1
178 1 17 THR MG 1 18 ASP H . . 4.270 3.889 3.704 3.986 . 0 0 "[ . 1 . 2]" 1
179 1 17 THR MG 1 19 GLY H . . 5.500 5.230 4.912 5.419 . 0 0 "[ . 1 . 2]" 1
180 1 18 ASP H 1 19 GLY H . . 3.150 1.866 1.838 1.885 . 0 0 "[ . 1 . 2]" 1
181 1 18 ASP H 1 20 GLN H . . 4.570 3.428 3.398 3.478 . 0 0 "[ . 1 . 2]" 1
182 1 18 ASP QB 1 20 GLN H . . 4.410 3.336 3.189 4.036 . 0 0 "[ . 1 . 2]" 1
183 1 19 GLY H 1 19 GLY QA . . 2.580 2.303 2.291 2.308 . 0 0 "[ . 1 . 2]" 1
184 1 19 GLY H 1 20 GLN QB . . 4.860 4.031 3.875 4.459 . 0 0 "[ . 1 . 2]" 1
185 1 20 GLN H 1 20 GLN HB2 . . 3.630 2.604 2.217 3.683 0.053 19 0 "[ . 1 . 2]" 1
186 1 20 GLN H 1 20 GLN QB . . 2.810 2.363 2.194 2.855 0.045 15 0 "[ . 1 . 2]" 1
187 1 20 GLN H 1 20 GLN HB3 . . 3.630 3.347 2.810 3.536 . 0 0 "[ . 1 . 2]" 1
188 1 20 GLN H 1 20 GLN HG2 . . 4.900 3.464 1.943 4.427 . 0 0 "[ . 1 . 2]" 1
189 1 20 GLN H 1 20 GLN QG . . 4.230 2.894 1.930 3.705 . 0 0 "[ . 1 . 2]" 1
190 1 20 GLN H 1 20 GLN HG3 . . 4.900 3.429 2.626 4.117 . 0 0 "[ . 1 . 2]" 1
191 1 20 GLN HA 1 20 GLN QE . . 4.970 4.322 2.143 4.917 . 0 0 "[ . 1 . 2]" 1
192 1 20 GLN HA 1 21 PRO HD2 . . 3.460 2.481 2.406 2.510 . 0 0 "[ . 1 . 2]" 1
193 1 20 GLN HA 1 21 PRO QD . . 2.960 2.138 2.093 2.155 . 0 0 "[ . 1 . 2]" 1
194 1 20 GLN HA 1 21 PRO HD3 . . 3.460 2.334 2.301 2.347 . 0 0 "[ . 1 . 2]" 1
195 1 21 PRO HA 1 22 ILE H . . 2.850 2.189 2.152 2.230 . 0 0 "[ . 1 . 2]" 1
196 1 21 PRO HA 1 43 GLY H . . 5.500 5.362 4.955 5.564 0.064 20 0 "[ . 1 . 2]" 1
197 1 21 PRO HB2 1 22 ILE H . . 4.020 3.307 3.114 3.567 . 0 0 "[ . 1 . 2]" 1
198 1 21 PRO HB2 1 22 ILE HA . . 5.040 4.680 4.558 4.823 . 0 0 "[ . 1 . 2]" 1
199 1 21 PRO HB2 1 43 GLY H . . 4.160 3.184 2.652 3.560 . 0 0 "[ . 1 . 2]" 1
200 1 21 PRO HB3 1 22 ILE H . . 4.080 3.854 3.733 4.023 . 0 0 "[ . 1 . 2]" 1
201 1 21 PRO HB3 1 43 GLY H . . 4.570 4.241 3.920 4.467 . 0 0 "[ . 1 . 2]" 1
202 1 22 ILE H 1 22 ILE HB . . 3.100 2.554 2.488 2.693 . 0 0 "[ . 1 . 2]" 1
203 1 22 ILE H 1 22 ILE MD . . 4.490 3.284 2.997 3.552 . 0 0 "[ . 1 . 2]" 1
204 1 22 ILE H 1 22 ILE QG . . 3.220 2.273 2.030 2.468 . 0 0 "[ . 1 . 2]" 1
205 1 22 ILE H 1 39 THR HG1 . . 5.320 4.788 4.657 5.087 . 0 0 "[ . 1 . 2]" 1
206 1 22 ILE HA 1 22 ILE MD . . 3.940 2.096 2.039 2.270 . 0 0 "[ . 1 . 2]" 1
207 1 22 ILE HA 1 22 ILE QG . . 3.740 2.976 2.882 3.094 . 0 0 "[ . 1 . 2]" 1
208 1 22 ILE HA 1 23 ILE H . . 2.720 2.149 2.138 2.182 . 0 0 "[ . 1 . 2]" 1
209 1 22 ILE MD 1 23 ILE H . . 4.480 3.716 3.456 3.946 . 0 0 "[ . 1 . 2]" 1
210 1 22 ILE MD 1 39 THR HG1 . . 5.500 5.448 5.223 5.570 0.070 19 0 "[ . 1 . 2]" 1
211 1 22 ILE MD 1 77 LEU H . . 4.450 4.027 3.463 4.459 0.009 19 0 "[ . 1 . 2]" 1
212 1 22 ILE MD 1 77 LEU HB2 . . 5.500 2.645 1.976 3.365 . 0 0 "[ . 1 . 2]" 1
213 1 22 ILE MD 1 77 LEU QD . . 5.440 2.131 1.790 2.860 . 0 0 "[ . 1 . 2]" 1
214 1 23 ILE H 1 23 ILE HB . . 3.150 2.669 2.627 2.719 . 0 0 "[ . 1 . 2]" 1
215 1 23 ILE H 1 23 ILE MD . . 4.490 3.717 1.919 3.932 . 0 0 "[ . 1 . 2]" 1
216 1 23 ILE H 1 23 ILE HG12 . . 3.850 3.571 3.490 3.897 0.047 13 0 "[ . 1 . 2]" 1
217 1 23 ILE H 1 23 ILE HG13 . . 3.380 2.400 2.291 2.841 . 0 0 "[ . 1 . 2]" 1
218 1 23 ILE H 1 23 ILE MG . . 4.270 3.847 3.820 3.878 . 0 0 "[ . 1 . 2]" 1
219 1 23 ILE H 1 24 GLY H . . 4.560 4.457 4.296 4.564 0.004 11 0 "[ . 1 . 2]" 1
220 1 23 ILE H 1 39 THR HG1 . . 4.910 4.219 3.977 4.425 . 0 0 "[ . 1 . 2]" 1
221 1 23 ILE H 1 41 PHE HA . . 5.500 5.491 5.330 5.523 0.023 19 0 "[ . 1 . 2]" 1
222 1 23 ILE HA 1 24 GLY H . . 2.910 2.190 2.143 2.284 . 0 0 "[ . 1 . 2]" 1
223 1 23 ILE HA 1 25 ALA H . . 4.080 3.774 3.558 4.000 . 0 0 "[ . 1 . 2]" 1
224 1 23 ILE HA 1 39 THR HG1 . . 3.950 2.692 2.227 2.937 . 0 0 "[ . 1 . 2]" 1
225 1 23 ILE HA 1 39 THR MG . . 4.870 4.637 4.423 4.872 0.002 15 0 "[ . 1 . 2]" 1
226 1 23 ILE HA 1 40 ASP H . . 5.260 4.947 4.715 5.162 . 0 0 "[ . 1 . 2]" 1
227 1 23 ILE HA 1 43 GLY H . . 4.670 4.279 3.778 4.691 0.021 5 0 "[ . 1 . 2]" 1
228 1 23 ILE HA 1 43 GLY HA2 . . 4.350 3.824 3.444 4.131 . 0 0 "[ . 1 . 2]" 1
229 1 23 ILE HB 1 24 GLY H . . 4.330 3.994 3.709 4.262 . 0 0 "[ . 1 . 2]" 1
230 1 23 ILE HB 1 24 GLY HA3 . . 4.650 4.499 4.387 4.619 . 0 0 "[ . 1 . 2]" 1
231 1 23 ILE MD 1 41 PHE HA . . 3.800 2.119 1.956 3.808 0.008 13 0 "[ . 1 . 2]" 1
232 1 23 ILE MD 1 42 ASP H . . 5.500 4.832 4.490 5.511 0.011 13 0 "[ . 1 . 2]" 1
233 1 23 ILE MD 1 43 GLY H . . 5.420 4.696 4.153 5.079 . 0 0 "[ . 1 . 2]" 1
234 1 23 ILE HG12 1 24 GLY H . . 5.250 4.552 4.373 5.033 . 0 0 "[ . 1 . 2]" 1
235 1 23 ILE HG12 1 41 PHE HA . . 3.790 2.019 1.990 2.119 . 0 0 "[ . 1 . 2]" 1
236 1 23 ILE HG12 1 42 ASP H . . 4.860 4.582 4.216 4.861 0.001 13 0 "[ . 1 . 2]" 1
237 1 23 ILE HG12 1 43 GLY H . . 4.150 3.642 2.929 4.130 . 0 0 "[ . 1 . 2]" 1
238 1 23 ILE HG13 1 24 GLY H . . 5.460 5.087 4.527 5.206 . 0 0 "[ . 1 . 2]" 1
239 1 23 ILE HG13 1 41 PHE HA . . 4.510 3.578 2.968 3.716 . 0 0 "[ . 1 . 2]" 1
240 1 23 ILE HG13 1 43 GLY H . . 5.350 4.796 3.028 5.363 0.013 2 0 "[ . 1 . 2]" 1
241 1 23 ILE MG 1 24 GLY H . . 3.550 2.400 2.007 2.879 . 0 0 "[ . 1 . 2]" 1
242 1 23 ILE MG 1 24 GLY HA3 . . 4.620 3.455 3.227 3.671 . 0 0 "[ . 1 . 2]" 1
243 1 23 ILE MG 1 39 THR HG1 . . 4.530 4.373 3.982 4.532 0.002 20 0 "[ . 1 . 2]" 1
244 1 23 ILE MG 1 41 PHE H . . 4.180 3.641 3.378 3.914 . 0 0 "[ . 1 . 2]" 1
245 1 23 ILE MG 1 41 PHE HA . . 3.800 2.248 2.005 2.445 . 0 0 "[ . 1 . 2]" 1
246 1 23 ILE MG 1 42 ASP H . . 5.440 4.930 4.725 5.095 . 0 0 "[ . 1 . 2]" 1
247 1 23 ILE MG 1 43 GLY H . . 5.010 4.551 4.066 4.925 . 0 0 "[ . 1 . 2]" 1
248 1 24 GLY H 1 25 ALA H . . 3.080 2.480 2.179 2.775 . 0 0 "[ . 1 . 2]" 1
249 1 24 GLY H 1 38 ILE MD . . 4.650 4.208 3.350 4.492 . 0 0 "[ . 1 . 2]" 1
250 1 24 GLY H 1 39 THR H . . 4.110 3.695 3.253 4.077 . 0 0 "[ . 1 . 2]" 1
251 1 24 GLY H 1 39 THR HG1 . . 3.430 2.959 2.096 3.428 . 0 0 "[ . 1 . 2]" 1
252 1 24 GLY H 1 39 THR MG . . 5.500 4.611 4.261 4.900 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLY H 1 40 ASP H . . 5.500 5.178 4.951 5.368 . 0 0 "[ . 1 . 2]" 1
254 1 24 GLY H 1 40 ASP HA . . 4.970 4.534 4.088 4.808 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLY H 1 43 GLY HA2 . . 5.500 5.357 4.953 5.519 0.019 14 0 "[ . 1 . 2]" 1
256 1 24 GLY HA2 1 38 ILE MD . . 5.500 3.305 2.794 3.646 . 0 0 "[ . 1 . 2]" 1
257 1 24 GLY HA2 1 38 ILE MG . . 4.400 3.577 3.382 3.693 . 0 0 "[ . 1 . 2]" 1
258 1 24 GLY HA3 1 38 ILE HB . . 4.820 4.768 4.491 4.859 0.039 20 0 "[ . 1 . 2]" 1
259 1 24 GLY HA3 1 38 ILE MD . . 5.500 4.728 4.280 5.021 . 0 0 "[ . 1 . 2]" 1
260 1 24 GLY HA3 1 38 ILE MG . . 4.840 4.811 4.585 4.849 0.009 20 0 "[ . 1 . 2]" 1
261 1 25 ALA H 1 25 ALA MB . . 2.930 2.225 2.107 2.321 . 0 0 "[ . 1 . 2]" 1
262 1 25 ALA H 1 38 ILE HA . . 4.850 4.149 3.789 4.474 . 0 0 "[ . 1 . 2]" 1
263 1 25 ALA H 1 38 ILE HB . . 4.890 3.604 3.142 3.945 . 0 0 "[ . 1 . 2]" 1
264 1 25 ALA H 1 39 THR H . . 3.260 2.408 2.141 2.666 . 0 0 "[ . 1 . 2]" 1
265 1 25 ALA H 1 39 THR HA . . 4.900 4.646 4.491 4.815 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA H 1 39 THR HG1 . . 3.060 2.365 2.119 2.843 . 0 0 "[ . 1 . 2]" 1
267 1 25 ALA H 1 39 THR MG . . 3.570 3.353 3.083 3.584 0.014 13 0 "[ . 1 . 2]" 1
268 1 25 ALA HA 1 26 SER H . . 2.760 2.272 2.141 2.445 . 0 0 "[ . 1 . 2]" 1
269 1 25 ALA HA 1 39 THR H . . 5.000 4.567 4.410 4.794 . 0 0 "[ . 1 . 2]" 1
270 1 25 ALA HA 1 39 THR MG . . 4.780 4.449 4.219 4.752 . 0 0 "[ . 1 . 2]" 1
271 1 25 ALA HA 1 59 TYR QB . . 4.190 3.343 2.304 4.218 0.028 19 0 "[ . 1 . 2]" 1
272 1 25 ALA HA 1 59 TYR QD . . 3.780 2.592 1.997 3.364 . 0 0 "[ . 1 . 2]" 1
273 1 25 ALA MB 1 26 SER H . . 3.250 2.785 2.297 3.257 0.007 2 0 "[ . 1 . 2]" 1
274 1 25 ALA MB 1 27 VAL QG . . 4.310 2.967 2.609 3.796 . 0 0 "[ . 1 . 2]" 1
275 1 25 ALA MB 1 59 TYR QB . . 4.160 2.861 2.016 4.011 . 0 0 "[ . 1 . 2]" 1
276 1 26 SER H 1 26 SER HB2 . . 3.890 2.532 2.276 3.020 . 0 0 "[ . 1 . 2]" 1
277 1 26 SER H 1 26 SER QB . . 3.120 2.475 2.195 2.889 . 0 0 "[ . 1 . 2]" 1
278 1 26 SER H 1 26 SER HB3 . . 3.890 3.539 2.846 3.731 . 0 0 "[ . 1 . 2]" 1
279 1 26 SER H 1 26 SER HG . . 4.380 3.588 2.509 4.341 . 0 0 "[ . 1 . 2]" 1
280 1 26 SER H 1 27 VAL QG . . 4.820 4.187 3.803 4.898 0.078 1 0 "[ . 1 . 2]" 1
281 1 26 SER H 1 57 ILE HA . . 5.500 5.194 4.722 5.454 . 0 0 "[ . 1 . 2]" 1
282 1 26 SER H 1 57 ILE MG . . 4.340 3.752 3.295 4.108 . 0 0 "[ . 1 . 2]" 1
283 1 26 SER H 1 58 THR HB . . 5.500 5.427 5.220 5.518 0.018 19 0 "[ . 1 . 2]" 1
284 1 26 SER H 1 58 THR MG . . 5.500 5.497 5.454 5.521 0.021 19 0 "[ . 1 . 2]" 1
285 1 26 SER H 1 59 TYR QB . . 4.600 4.037 3.394 4.636 0.036 11 0 "[ . 1 . 2]" 1
286 1 26 SER H 1 59 TYR QD . . 4.290 3.631 3.115 4.167 . 0 0 "[ . 1 . 2]" 1
287 1 26 SER HA 1 37 THR H . . 5.500 5.400 5.240 5.510 0.010 2 0 "[ . 1 . 2]" 1
288 1 26 SER QB 1 27 VAL H . . 4.210 3.584 3.495 3.880 . 0 0 "[ . 1 . 2]" 1
289 1 26 SER QB 1 27 VAL HA . . 4.430 4.291 4.213 4.430 0.000 17 0 "[ . 1 . 2]" 1
290 1 26 SER QB 1 28 VAL H . . 5.300 4.923 4.547 5.304 0.004 6 0 "[ . 1 . 2]" 1
291 1 26 SER QB 1 58 THR H . . 3.880 3.095 2.726 3.423 . 0 0 "[ . 1 . 2]" 1
292 1 26 SER QB 1 58 THR HB . . 4.550 4.219 3.855 4.474 . 0 0 "[ . 1 . 2]" 1
293 1 27 VAL H 1 27 VAL HB . . 3.140 2.753 2.577 3.192 0.052 1 0 "[ . 1 . 2]" 1
294 1 27 VAL H 1 27 VAL QG . . 3.350 2.475 1.922 2.742 . 0 0 "[ . 1 . 2]" 1
295 1 27 VAL H 1 28 VAL HA . . 5.370 5.046 4.943 5.201 . 0 0 "[ . 1 . 2]" 1
296 1 27 VAL H 1 28 VAL MG1 . . 4.480 3.714 3.598 3.844 . 0 0 "[ . 1 . 2]" 1
297 1 27 VAL H 1 37 THR H . . 3.700 3.626 3.414 3.717 0.017 3 0 "[ . 1 . 2]" 1
298 1 27 VAL H 1 38 ILE MG . . 3.770 3.493 3.198 3.777 0.007 13 0 "[ . 1 . 2]" 1
299 1 27 VAL H 1 58 THR H . . 5.130 4.873 4.684 4.982 . 0 0 "[ . 1 . 2]" 1
300 1 27 VAL HA 1 28 VAL H . . 2.740 2.156 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
301 1 27 VAL HA 1 37 THR H . . 5.120 4.825 4.515 5.124 0.004 20 0 "[ . 1 . 2]" 1
302 1 27 VAL HA 1 57 ILE HA . . 3.700 2.246 2.034 2.464 . 0 0 "[ . 1 . 2]" 1
303 1 27 VAL HA 1 57 ILE MG . . 4.490 2.892 2.413 3.711 . 0 0 "[ . 1 . 2]" 1
304 1 27 VAL HA 1 58 THR H . . 3.900 3.464 3.179 3.818 . 0 0 "[ . 1 . 2]" 1
305 1 27 VAL HA 1 58 THR MG . . 5.420 5.105 4.656 5.428 0.008 17 0 "[ . 1 . 2]" 1
306 1 27 VAL QG 1 28 VAL H . . 3.420 2.681 2.344 2.953 . 0 0 "[ . 1 . 2]" 1
307 1 27 VAL QG 1 28 VAL MG1 . . 4.430 3.968 3.545 4.178 . 0 0 "[ . 1 . 2]" 1
308 1 27 VAL QG 1 37 THR H . . 4.320 3.252 2.615 3.667 . 0 0 "[ . 1 . 2]" 1
309 1 27 VAL QG 1 39 THR H . . 4.220 3.543 3.036 4.016 . 0 0 "[ . 1 . 2]" 1
310 1 27 VAL QG 1 39 THR MG . . 3.230 2.501 1.948 3.004 . 0 0 "[ . 1 . 2]" 1
311 1 27 VAL QG 1 56 LYS H . . 4.500 4.122 3.553 4.507 0.007 11 0 "[ . 1 . 2]" 1
312 1 27 VAL QG 1 57 ILE QG . . 3.440 1.857 1.684 2.013 . 0 0 "[ . 1 . 2]" 1
313 1 27 VAL QG 1 57 ILE MG . . 3.740 2.166 1.818 3.204 . 0 0 "[ . 1 . 2]" 1
314 1 27 VAL QG 1 58 THR H . . 4.470 3.975 3.518 4.494 0.024 20 0 "[ . 1 . 2]" 1
315 1 27 VAL MG1 1 37 THR H . . 4.970 3.386 2.645 3.818 . 0 0 "[ . 1 . 2]" 1
316 1 27 VAL MG1 1 58 THR H . . 5.440 5.090 4.716 5.423 . 0 0 "[ . 1 . 2]" 1
317 1 27 VAL MG2 1 37 THR H . . 4.970 4.281 3.864 4.870 . 0 0 "[ . 1 . 2]" 1
318 1 27 VAL MG2 1 58 THR H . . 5.440 4.174 3.590 4.851 . 0 0 "[ . 1 . 2]" 1
319 1 28 VAL H 1 28 VAL HB . . 4.030 3.869 3.775 3.954 . 0 0 "[ . 1 . 2]" 1
320 1 28 VAL H 1 28 VAL MG2 . . 3.150 2.209 2.023 2.370 . 0 0 "[ . 1 . 2]" 1
321 1 28 VAL H 1 56 LYS H . . 4.020 3.759 3.088 4.024 0.004 14 0 "[ . 1 . 2]" 1
322 1 28 VAL H 1 56 LYS HB2 . . 5.500 5.383 4.877 5.539 0.039 18 0 "[ . 1 . 2]" 1
323 1 28 VAL H 1 56 LYS HB3 . . 4.100 3.849 3.311 4.071 . 0 0 "[ . 1 . 2]" 1
324 1 28 VAL HA 1 29 GLU H . . 2.800 2.262 2.174 2.520 . 0 0 "[ . 1 . 2]" 1
325 1 28 VAL HA 1 36 GLY HA3 . . 4.580 3.132 2.452 3.702 . 0 0 "[ . 1 . 2]" 1
326 1 28 VAL HB 1 29 GLU H . . 3.240 2.812 2.189 3.120 . 0 0 "[ . 1 . 2]" 1
327 1 28 VAL HB 1 33 THR HA . . 3.830 2.011 1.988 2.199 . 0 0 "[ . 1 . 2]" 1
328 1 28 VAL HB 1 33 THR MG . . 4.400 2.352 1.934 2.992 . 0 0 "[ . 1 . 2]" 1
329 1 28 VAL HB 1 35 ASN H . . 5.500 5.410 4.972 5.533 0.033 12 0 "[ . 1 . 2]" 1
330 1 28 VAL MG1 1 29 GLU H . . 4.140 3.910 3.705 3.981 . 0 0 "[ . 1 . 2]" 1
331 1 28 VAL MG1 1 56 LYS QG . . 4.820 4.791 4.513 4.854 0.034 6 0 "[ . 1 . 2]" 1
332 1 28 VAL MG2 1 29 GLU H . . 3.830 3.569 2.993 3.839 0.009 7 0 "[ . 1 . 2]" 1
333 1 28 VAL MG2 1 33 THR HA . . 4.240 3.392 2.807 3.647 . 0 0 "[ . 1 . 2]" 1
334 1 28 VAL MG2 1 33 THR MG . . 3.070 2.275 1.916 2.606 . 0 0 "[ . 1 . 2]" 1
335 1 28 VAL MG2 1 56 LYS H . . 3.670 3.435 3.054 3.676 0.006 4 0 "[ . 1 . 2]" 1
336 1 28 VAL MG2 1 56 LYS HB3 . . 3.720 2.367 1.886 2.662 . 0 0 "[ . 1 . 2]" 1
337 1 29 GLU H 1 29 GLU HB2 . . 3.630 2.556 2.117 3.641 0.011 15 0 "[ . 1 . 2]" 1
338 1 29 GLU H 1 29 GLU QB . . 2.960 2.388 2.094 2.809 . 0 0 "[ . 1 . 2]" 1
339 1 29 GLU H 1 29 GLU HB3 . . 3.630 3.216 2.601 3.660 0.030 11 0 "[ . 1 . 2]" 1
340 1 29 GLU H 1 29 GLU HG2 . . 5.120 3.617 1.936 4.640 . 0 0 "[ . 1 . 2]" 1
341 1 29 GLU H 1 29 GLU QG . . 4.260 3.140 1.899 4.049 . 0 0 "[ . 1 . 2]" 1
342 1 29 GLU H 1 29 GLU HG3 . . 5.120 3.717 2.040 4.533 . 0 0 "[ . 1 . 2]" 1
343 1 29 GLU H 1 32 ALA H . . 5.490 4.179 3.997 4.340 . 0 0 "[ . 1 . 2]" 1
344 1 29 GLU H 1 33 THR HA . . 4.960 2.754 2.285 3.383 . 0 0 "[ . 1 . 2]" 1
345 1 29 GLU H 1 35 ASN H . . 5.250 4.973 4.458 5.262 0.012 7 0 "[ . 1 . 2]" 1
346 1 29 GLU H 1 35 ASN QB . . 4.960 4.886 4.521 5.006 0.046 6 0 "[ . 1 . 2]" 1
347 1 29 GLU H 1 36 GLY HA3 . . 4.980 4.663 3.918 5.000 0.020 10 0 "[ . 1 . 2]" 1
348 1 29 GLU H 1 56 LYS HB3 . . 5.500 5.486 5.299 5.527 0.027 7 0 "[ . 1 . 2]" 1
349 1 29 GLU HA 1 30 THR H . . 2.860 2.347 2.155 2.523 . 0 0 "[ . 1 . 2]" 1
350 1 29 GLU HA 1 31 THR H . . 4.930 4.241 3.866 4.570 . 0 0 "[ . 1 . 2]" 1
351 1 29 GLU HA 1 55 LEU HA . . 4.120 2.330 2.062 2.727 . 0 0 "[ . 1 . 2]" 1
352 1 29 GLU HA 1 55 LEU QD . . 3.730 2.757 1.925 3.733 0.003 17 0 "[ . 1 . 2]" 1
353 1 29 GLU QB 1 30 THR MG . . 5.000 4.610 4.094 5.011 0.011 6 0 "[ . 1 . 2]" 1
354 1 29 GLU QB 1 32 ALA H . . 3.850 2.146 1.906 3.269 . 0 0 "[ . 1 . 2]" 1
355 1 29 GLU QB 1 32 ALA MB . . 4.160 2.538 1.900 4.180 0.020 7 0 "[ . 1 . 2]" 1
356 1 29 GLU QG 1 30 THR H . . 4.560 3.488 1.972 4.472 . 0 0 "[ . 1 . 2]" 1
357 1 29 GLU QG 1 31 THR H . . 4.820 3.710 1.949 4.831 0.011 12 0 "[ . 1 . 2]" 1
358 1 29 GLU QG 1 32 ALA H . . 4.440 3.364 1.917 4.445 0.005 11 0 "[ . 1 . 2]" 1
359 1 29 GLU HG2 1 30 THR H . . 5.290 3.967 2.070 5.120 . 0 0 "[ . 1 . 2]" 1
360 1 29 GLU HG2 1 31 THR H . . 5.500 4.247 1.958 5.519 0.019 14 0 "[ . 1 . 2]" 1
361 1 29 GLU HG3 1 30 THR H . . 5.290 4.024 2.261 4.969 . 0 0 "[ . 1 . 2]" 1
362 1 29 GLU HG3 1 31 THR H . . 5.500 4.478 2.088 5.504 0.004 12 0 "[ . 1 . 2]" 1
363 1 30 THR H 1 30 THR HB . . 3.700 3.545 2.726 3.635 . 0 0 "[ . 1 . 2]" 1
364 1 30 THR H 1 30 THR HG1 . . 5.500 3.078 1.960 4.356 . 0 0 "[ . 1 . 2]" 1
365 1 30 THR H 1 30 THR MG . . 3.000 2.424 1.955 2.988 . 0 0 "[ . 1 . 2]" 1
366 1 30 THR H 1 31 THR H . . 4.110 2.632 2.379 2.792 . 0 0 "[ . 1 . 2]" 1
367 1 30 THR H 1 32 ALA H . . 4.880 3.753 3.499 4.095 . 0 0 "[ . 1 . 2]" 1
368 1 30 THR H 1 55 LEU HA . . 3.570 3.112 2.540 3.554 . 0 0 "[ . 1 . 2]" 1
369 1 30 THR H 1 55 LEU QD . . 4.440 3.940 3.101 4.459 0.019 7 0 "[ . 1 . 2]" 1
370 1 30 THR H 1 55 LEU HG . . 5.500 4.684 3.870 5.501 0.001 18 0 "[ . 1 . 2]" 1
371 1 30 THR H 1 56 LYS H . . 4.290 3.853 2.843 4.293 0.003 1 0 "[ . 1 . 2]" 1
372 1 30 THR HA 1 30 THR MG . . 3.300 2.318 2.159 3.186 . 0 0 "[ . 1 . 2]" 1
373 1 30 THR HA 1 31 THR MG . . 4.990 4.725 4.418 4.998 0.008 7 0 "[ . 1 . 2]" 1
374 1 30 THR HA 1 32 ALA H . . 4.710 4.412 3.884 4.718 0.008 16 0 "[ . 1 . 2]" 1
375 1 30 THR HA 1 54 THR HB . . 5.500 5.248 4.848 5.511 0.011 19 0 "[ . 1 . 2]" 1
376 1 30 THR HA 1 56 LYS H . . 5.220 4.752 4.255 5.234 0.014 7 0 "[ . 1 . 2]" 1
377 1 30 THR HB 1 54 THR H . . 5.090 4.733 4.188 5.102 0.012 19 0 "[ . 1 . 2]" 1
378 1 30 THR HG1 1 30 THR MG . . 3.270 2.532 2.021 3.052 . 0 0 "[ . 1 . 2]" 1
379 1 30 THR MG 1 54 THR HB . . 3.840 2.069 1.890 2.405 . 0 0 "[ . 1 . 2]" 1
380 1 30 THR MG 1 55 LEU HA . . 3.710 3.370 2.735 3.708 . 0 0 "[ . 1 . 2]" 1
381 1 30 THR MG 1 56 LYS H . . 4.680 3.623 2.883 4.023 . 0 0 "[ . 1 . 2]" 1
382 1 30 THR MG 1 56 LYS HB2 . . 4.010 3.370 2.424 4.065 0.055 19 0 "[ . 1 . 2]" 1
383 1 31 THR H 1 31 THR HG1 . . 2.720 2.316 1.961 2.659 . 0 0 "[ . 1 . 2]" 1
384 1 31 THR H 1 31 THR MG . . 3.880 2.712 2.050 3.201 . 0 0 "[ . 1 . 2]" 1
385 1 31 THR HA 1 31 THR MG . . 2.930 2.308 2.084 2.459 . 0 0 "[ . 1 . 2]" 1
386 1 31 THR HG1 1 31 THR MG . . 3.190 2.849 2.372 3.046 . 0 0 "[ . 1 . 2]" 1
387 1 31 THR HG1 1 32 ALA H . . 2.860 2.472 2.308 2.751 . 0 0 "[ . 1 . 2]" 1
388 1 31 THR HG1 1 32 ALA MB . . 4.490 3.080 2.685 3.603 . 0 0 "[ . 1 . 2]" 1
389 1 32 ALA H 1 32 ALA MB . . 3.190 2.500 2.201 2.912 . 0 0 "[ . 1 . 2]" 1
390 1 32 ALA H 1 33 THR H . . 4.870 3.637 3.149 4.069 . 0 0 "[ . 1 . 2]" 1
391 1 32 ALA MB 1 35 ASN H . . 4.230 3.207 2.566 3.574 . 0 0 "[ . 1 . 2]" 1
392 1 32 ALA MB 1 35 ASN QD . . 5.170 3.325 2.077 4.213 . 0 0 "[ . 1 . 2]" 1
393 1 33 THR H 1 33 THR HG1 . . 5.500 3.215 2.043 3.595 . 0 0 "[ . 1 . 2]" 1
394 1 33 THR H 1 33 THR MG . . 4.000 3.004 2.252 3.798 . 0 0 "[ . 1 . 2]" 1
395 1 33 THR H 1 34 THR H . . 5.260 2.374 2.294 2.615 . 0 0 "[ . 1 . 2]" 1
396 1 33 THR HA 1 33 THR MG . . 3.200 2.300 2.094 2.437 . 0 0 "[ . 1 . 2]" 1
397 1 34 THR H 1 34 THR HG1 . . 2.450 2.237 2.058 2.377 . 0 0 "[ . 1 . 2]" 1
398 1 34 THR H 1 34 THR MG . . 4.200 2.683 1.925 3.767 . 0 0 "[ . 1 . 2]" 1
399 1 34 THR H 1 35 ASN H . . 4.310 2.722 2.574 2.766 . 0 0 "[ . 1 . 2]" 1
400 1 34 THR HA 1 34 THR MG . . 3.620 2.295 2.086 2.416 . 0 0 "[ . 1 . 2]" 1
401 1 34 THR HB 1 35 ASN H . . 4.830 3.597 2.837 3.971 . 0 0 "[ . 1 . 2]" 1
402 1 34 THR HG1 1 36 GLY H . . 5.500 5.197 4.650 5.590 0.090 15 0 "[ . 1 . 2]" 1
403 1 35 ASN H 1 35 ASN HB2 . . 3.680 2.681 2.295 3.665 . 0 0 "[ . 1 . 2]" 1
404 1 35 ASN H 1 35 ASN HB3 . . 3.680 2.995 2.579 3.666 . 0 0 "[ . 1 . 2]" 1
405 1 35 ASN H 1 36 GLY H . . 4.810 2.896 2.885 2.909 . 0 0 "[ . 1 . 2]" 1
406 1 35 ASN HA 1 36 GLY H . . 3.140 2.915 2.910 2.924 . 0 0 "[ . 1 . 2]" 1
407 1 35 ASN QB 1 36 GLY H . . 4.180 3.829 3.792 4.048 . 0 0 "[ . 1 . 2]" 1
408 1 35 ASN HB2 1 36 GLY H . . 4.780 4.397 4.106 4.566 . 0 0 "[ . 1 . 2]" 1
409 1 35 ASN HB3 1 36 GLY H . . 4.780 4.268 4.095 4.575 . 0 0 "[ . 1 . 2]" 1
410 1 35 ASN QD 1 49 VAL QG . . 3.850 3.659 2.243 3.858 0.008 20 0 "[ . 1 . 2]" 1
411 1 36 GLY H 1 37 THR H . . 4.800 4.620 4.592 4.637 . 0 0 "[ . 1 . 2]" 1
412 1 36 GLY H 1 37 THR HA . . 5.500 5.495 5.407 5.552 0.052 13 0 "[ . 1 . 2]" 1
413 1 36 GLY HA2 1 37 THR H . . 2.870 2.238 2.168 2.388 . 0 0 "[ . 1 . 2]" 1
414 1 36 GLY HA2 1 47 LEU HG . . 4.940 4.664 4.092 4.945 0.005 4 0 "[ . 1 . 2]" 1
415 1 36 GLY HA3 1 37 THR H . . 3.060 2.971 2.751 3.103 0.043 6 0 "[ . 1 . 2]" 1
416 1 37 THR H 1 37 THR HB . . 3.740 3.020 2.756 3.214 . 0 0 "[ . 1 . 2]" 1
417 1 37 THR H 1 37 THR HG1 . . 4.450 4.004 2.521 4.486 0.036 20 0 "[ . 1 . 2]" 1
418 1 37 THR H 1 37 THR MG . . 3.840 2.792 2.063 3.931 0.091 6 0 "[ . 1 . 2]" 1
419 1 37 THR H 1 38 ILE H . . 4.650 4.472 4.435 4.524 . 0 0 "[ . 1 . 2]" 1
420 1 37 THR H 1 38 ILE HA . . 5.500 4.897 4.789 5.032 . 0 0 "[ . 1 . 2]" 1
421 1 37 THR H 1 47 LEU QD . . 4.230 3.095 2.432 4.209 . 0 0 "[ . 1 . 2]" 1
422 1 37 THR H 1 47 LEU HG . . 4.610 4.298 3.713 4.615 0.005 20 0 "[ . 1 . 2]" 1
423 1 37 THR HA 1 37 THR MG . . 3.510 2.815 2.030 3.206 . 0 0 "[ . 1 . 2]" 1
424 1 37 THR HA 1 38 ILE H . . 2.820 2.437 2.345 2.478 . 0 0 "[ . 1 . 2]" 1
425 1 37 THR HA 1 38 ILE QG . . 4.070 3.753 3.608 4.021 . 0 0 "[ . 1 . 2]" 1
426 1 37 THR HB 1 47 LEU HG . . 3.900 3.397 2.353 3.925 0.025 13 0 "[ . 1 . 2]" 1
427 1 37 THR MG 1 38 ILE H . . 3.250 2.716 1.885 3.247 . 0 0 "[ . 1 . 2]" 1
428 1 37 THR MG 1 45 PHE HA . . 4.180 3.951 3.392 4.200 0.020 18 0 "[ . 1 . 2]" 1
429 1 37 THR MG 1 45 PHE HB2 . . 3.700 2.327 1.978 2.755 . 0 0 "[ . 1 . 2]" 1
430 1 37 THR MG 1 45 PHE HB3 . . 3.480 3.276 2.797 3.499 0.019 10 0 "[ . 1 . 2]" 1
431 1 37 THR MG 1 45 PHE HD1 . . 4.730 3.214 1.994 4.730 . 0 0 "[ . 1 . 2]" 1
432 1 37 THR MG 1 46 THR H . . 3.220 2.931 2.032 3.227 0.007 16 0 "[ . 1 . 2]" 1
433 1 38 ILE H 1 38 ILE HB . . 3.830 3.724 3.683 3.765 . 0 0 "[ . 1 . 2]" 1
434 1 38 ILE H 1 38 ILE MD . . 5.500 3.756 3.541 3.865 . 0 0 "[ . 1 . 2]" 1
435 1 38 ILE H 1 38 ILE HG12 . . 4.220 2.482 2.002 3.294 . 0 0 "[ . 1 . 2]" 1
436 1 38 ILE H 1 38 ILE QG . . 3.640 2.067 1.925 2.188 . 0 0 "[ . 1 . 2]" 1
437 1 38 ILE H 1 38 ILE HG13 . . 4.220 2.351 1.950 2.763 . 0 0 "[ . 1 . 2]" 1
438 1 38 ILE H 1 38 ILE MG . . 4.190 3.006 2.763 3.156 . 0 0 "[ . 1 . 2]" 1
439 1 38 ILE HA 1 39 THR H . . 2.820 2.336 2.239 2.499 . 0 0 "[ . 1 . 2]" 1
440 1 38 ILE HA 1 39 THR MG . . 4.230 3.864 3.616 4.133 . 0 0 "[ . 1 . 2]" 1
441 1 38 ILE HB 1 39 THR H . . 3.410 2.555 2.160 2.829 . 0 0 "[ . 1 . 2]" 1
442 1 38 ILE HB 1 39 THR MG . . 5.000 4.817 4.540 5.003 0.003 2 0 "[ . 1 . 2]" 1
443 1 38 ILE MG 1 39 THR H . . 3.820 3.622 3.494 3.776 . 0 0 "[ . 1 . 2]" 1
444 1 39 THR H 1 39 THR HG1 . . 4.260 3.363 3.217 3.517 . 0 0 "[ . 1 . 2]" 1
445 1 39 THR H 1 39 THR MG . . 3.080 2.671 2.318 2.905 . 0 0 "[ . 1 . 2]" 1
446 1 39 THR HA 1 39 THR MG . . 3.220 2.237 2.063 2.381 . 0 0 "[ . 1 . 2]" 1
447 1 39 THR HA 1 40 ASP H . . 2.720 2.274 2.193 2.282 . 0 0 "[ . 1 . 2]" 1
448 1 39 THR HA 1 45 PHE H . . 4.930 4.495 4.067 4.878 . 0 0 "[ . 1 . 2]" 1
449 1 39 THR HB 1 40 ASP H . . 3.190 2.740 2.705 3.022 . 0 0 "[ . 1 . 2]" 1
450 1 39 THR HB 1 43 GLY HA2 . . 3.910 2.401 1.989 2.840 . 0 0 "[ . 1 . 2]" 1
451 1 39 THR HG1 1 39 THR MG . . 3.400 2.529 2.333 2.861 . 0 0 "[ . 1 . 2]" 1
452 1 39 THR HG1 1 40 ASP H . . 4.880 4.613 4.272 4.816 . 0 0 "[ . 1 . 2]" 1
453 1 39 THR HG1 1 43 GLY H . . 5.500 5.059 4.500 5.388 . 0 0 "[ . 1 . 2]" 1
454 1 39 THR MG 1 40 ASP H . . 3.790 3.632 3.414 3.796 0.006 5 0 "[ . 1 . 2]" 1
455 1 39 THR MG 1 43 GLY HA2 . . 4.400 3.410 2.893 3.827 . 0 0 "[ . 1 . 2]" 1
456 1 39 THR MG 1 45 PHE H . . 4.390 4.071 3.790 4.373 . 0 0 "[ . 1 . 2]" 1
457 1 39 THR MG 1 45 PHE HA . . 4.500 4.425 4.242 4.522 0.022 13 0 "[ . 1 . 2]" 1
458 1 39 THR MG 1 45 PHE HB2 . . 4.290 3.997 3.570 4.318 0.028 5 0 "[ . 1 . 2]" 1
459 1 39 THR MG 1 45 PHE HB3 . . 3.630 2.628 2.267 2.937 . 0 0 "[ . 1 . 2]" 1
460 1 39 THR MG 1 45 PHE HE2 . . 3.130 3.121 2.918 3.159 0.029 5 0 "[ . 1 . 2]" 1
461 1 40 ASP H 1 40 ASP HB2 . . 3.710 2.435 2.277 3.698 . 0 0 "[ . 1 . 2]" 1
462 1 40 ASP H 1 40 ASP QB . . 3.110 2.334 2.236 2.646 . 0 0 "[ . 1 . 2]" 1
463 1 40 ASP H 1 40 ASP HB3 . . 3.710 3.376 2.676 3.642 . 0 0 "[ . 1 . 2]" 1
464 1 40 ASP H 1 41 PHE H . . 4.930 4.490 4.435 4.558 . 0 0 "[ . 1 . 2]" 1
465 1 40 ASP H 1 42 ASP H . . 4.900 4.493 4.349 4.728 . 0 0 "[ . 1 . 2]" 1
466 1 40 ASP H 1 43 GLY H . . 3.890 3.600 3.181 3.911 0.021 19 0 "[ . 1 . 2]" 1
467 1 40 ASP H 1 43 GLY HA2 . . 4.610 3.845 3.479 4.166 . 0 0 "[ . 1 . 2]" 1
468 1 40 ASP H 1 44 ASN H . . 3.580 2.572 2.280 2.803 . 0 0 "[ . 1 . 2]" 1
469 1 40 ASP H 1 45 PHE HA . . 4.570 3.829 3.562 4.078 . 0 0 "[ . 1 . 2]" 1
470 1 40 ASP H 1 45 PHE HB2 . . 5.500 5.365 4.955 5.514 0.014 5 0 "[ . 1 . 2]" 1
471 1 40 ASP H 1 45 PHE HB3 . . 4.530 3.892 3.519 4.108 . 0 0 "[ . 1 . 2]" 1
472 1 40 ASP HA 1 41 PHE H . . 3.250 2.620 2.511 2.713 . 0 0 "[ . 1 . 2]" 1
473 1 40 ASP QB 1 41 PHE H . . 3.030 2.155 1.927 2.697 . 0 0 "[ . 1 . 2]" 1
474 1 40 ASP QB 1 43 GLY H . . 4.490 3.423 3.100 4.065 . 0 0 "[ . 1 . 2]" 1
475 1 40 ASP QB 1 44 ASN H . . 3.730 2.805 2.182 3.826 0.096 2 0 "[ . 1 . 2]" 1
476 1 41 PHE H 1 41 PHE HD2 . . 4.210 2.968 2.074 4.656 0.446 8 0 "[ . 1 . 2]" 1
477 1 41 PHE H 1 42 ASP H . . 3.500 2.678 2.647 2.707 . 0 0 "[ . 1 . 2]" 1
478 1 41 PHE H 1 43 GLY H . . 4.670 4.087 4.014 4.181 . 0 0 "[ . 1 . 2]" 1
479 1 41 PHE HA 1 41 PHE HD1 . . 4.890 3.311 2.272 4.190 . 0 0 "[ . 1 . 2]" 1
480 1 41 PHE QB 1 42 ASP H . . 3.760 2.894 2.790 3.531 . 0 0 "[ . 1 . 2]" 1
481 1 42 ASP H 1 42 ASP HB2 . . 3.680 2.368 2.215 2.697 . 0 0 "[ . 1 . 2]" 1
482 1 42 ASP H 1 42 ASP QB . . 2.970 2.303 2.193 2.516 . 0 0 "[ . 1 . 2]" 1
483 1 42 ASP H 1 42 ASP HB3 . . 3.680 3.381 2.661 3.671 . 0 0 "[ . 1 . 2]" 1
484 1 42 ASP H 1 43 GLY H . . 2.970 2.545 2.442 2.656 . 0 0 "[ . 1 . 2]" 1
485 1 42 ASP H 1 43 GLY HA2 . . 4.870 4.793 4.730 4.829 . 0 0 "[ . 1 . 2]" 1
486 1 42 ASP H 1 44 ASN QD . . 5.080 3.944 2.639 4.895 . 0 0 "[ . 1 . 2]" 1
487 1 42 ASP QB 1 43 GLY H . . 3.930 3.310 3.037 3.723 . 0 0 "[ . 1 . 2]" 1
488 1 42 ASP QB 1 44 ASN H . . 3.890 3.277 3.057 3.492 . 0 0 "[ . 1 . 2]" 1
489 1 42 ASP QB 1 44 ASN QD . . 3.160 2.084 1.805 2.465 . 0 0 "[ . 1 . 2]" 1
490 1 42 ASP HB2 1 43 GLY H . . 4.590 3.628 3.132 4.485 . 0 0 "[ . 1 . 2]" 1
491 1 42 ASP HB2 1 44 ASN HD21 . . 4.480 3.073 1.997 4.453 . 0 0 "[ . 1 . 2]" 1
492 1 42 ASP HB2 1 44 ASN HD22 . . 4.480 2.813 2.002 4.173 . 0 0 "[ . 1 . 2]" 1
493 1 42 ASP HB3 1 43 GLY H . . 4.590 3.979 3.182 4.441 . 0 0 "[ . 1 . 2]" 1
494 1 42 ASP HB3 1 44 ASN HD21 . . 4.480 2.909 1.982 4.484 0.004 18 0 "[ . 1 . 2]" 1
495 1 42 ASP HB3 1 44 ASN HD22 . . 4.480 2.969 2.180 4.302 . 0 0 "[ . 1 . 2]" 1
496 1 43 GLY H 1 44 ASN H . . 3.120 2.426 2.229 2.658 . 0 0 "[ . 1 . 2]" 1
497 1 44 ASN H 1 44 ASN HB2 . . 3.950 3.514 2.520 3.892 . 0 0 "[ . 1 . 2]" 1
498 1 44 ASN H 1 44 ASN HB3 . . 3.950 3.297 2.759 3.894 . 0 0 "[ . 1 . 2]" 1
499 1 44 ASN H 1 44 ASN QD . . 4.570 3.247 1.960 3.948 . 0 0 "[ . 1 . 2]" 1
500 1 44 ASN HA 1 45 PHE H . . 2.790 2.312 2.152 2.455 . 0 0 "[ . 1 . 2]" 1
501 1 44 ASN QB 1 45 PHE H . . 3.200 2.690 2.292 3.184 . 0 0 "[ . 1 . 2]" 1
502 1 45 PHE H 1 45 PHE HB2 . . 4.000 3.828 3.673 3.920 . 0 0 "[ . 1 . 2]" 1
503 1 45 PHE H 1 45 PHE HD1 . . 4.620 4.184 3.152 4.495 . 0 0 "[ . 1 . 2]" 1
504 1 45 PHE H 1 45 PHE HE2 . . 5.170 4.320 4.073 4.973 . 0 0 "[ . 1 . 2]" 1
505 1 45 PHE H 1 46 THR H . . 4.690 4.428 4.389 4.493 . 0 0 "[ . 1 . 2]" 1
506 1 45 PHE HA 1 46 THR H . . 2.820 2.433 2.340 2.451 . 0 0 "[ . 1 . 2]" 1
507 1 45 PHE HB2 1 45 PHE HE1 . . 5.060 4.655 4.624 4.813 . 0 0 "[ . 1 . 2]" 1
508 1 45 PHE HB2 1 46 THR H . . 3.610 2.362 2.319 2.584 . 0 0 "[ . 1 . 2]" 1
509 1 45 PHE HB2 1 46 THR MG . . 4.730 4.167 3.924 4.714 . 0 0 "[ . 1 . 2]" 1
510 1 45 PHE HB2 1 47 LEU H . . 5.290 5.166 4.956 5.296 0.006 2 0 "[ . 1 . 2]" 1
511 1 45 PHE HB3 1 46 THR H . . 3.950 3.649 3.553 3.769 . 0 0 "[ . 1 . 2]" 1
512 1 45 PHE HD1 1 46 THR H . . 3.920 3.546 3.248 3.837 . 0 0 "[ . 1 . 2]" 1
513 1 45 PHE HD1 1 47 LEU H . . 4.390 3.855 3.502 4.297 . 0 0 "[ . 1 . 2]" 1
514 1 45 PHE HD1 1 47 LEU QD . . 5.040 3.257 1.894 4.555 . 0 0 "[ . 1 . 2]" 1
515 1 46 THR H 1 46 THR HB . . 3.880 3.402 3.165 3.864 . 0 0 "[ . 1 . 2]" 1
516 1 46 THR H 1 46 THR HG1 . . 4.400 4.118 2.188 4.401 0.001 9 0 "[ . 1 . 2]" 1
517 1 46 THR HA 1 46 THR MG . . 3.370 3.069 2.259 3.201 . 0 0 "[ . 1 . 2]" 1
518 1 46 THR HA 1 47 LEU H . . 2.920 2.144 2.141 2.157 . 0 0 "[ . 1 . 2]" 1
519 1 46 THR HG1 1 47 LEU H . . 4.980 3.535 2.585 4.754 . 0 0 "[ . 1 . 2]" 1
520 1 46 THR MG 1 47 LEU H . . 4.210 4.141 3.924 4.215 0.005 16 0 "[ . 1 . 2]" 1
521 1 47 LEU H 1 47 LEU HB2 . . 3.850 2.771 2.418 3.039 . 0 0 "[ . 1 . 2]" 1
522 1 47 LEU H 1 47 LEU HB3 . . 3.850 3.326 2.880 3.766 . 0 0 "[ . 1 . 2]" 1
523 1 47 LEU HA 1 47 LEU MD1 . . 4.430 3.358 1.924 3.810 . 0 0 "[ . 1 . 2]" 1
524 1 47 LEU HA 1 47 LEU QD . . 3.890 2.411 1.907 2.950 . 0 0 "[ . 1 . 2]" 1
525 1 47 LEU HA 1 47 LEU MD2 . . 4.430 2.658 1.971 3.697 . 0 0 "[ . 1 . 2]" 1
526 1 47 LEU HA 1 47 LEU HG . . 3.660 2.701 2.159 3.688 0.028 16 0 "[ . 1 . 2]" 1
527 1 47 LEU QB 1 47 LEU QD . . 2.460 1.898 1.754 2.007 . 0 0 "[ . 1 . 2]" 1
528 1 47 LEU QB 1 55 LEU QD . . 4.420 3.100 2.253 3.609 . 0 0 "[ . 1 . 2]" 1
529 1 47 LEU QD 1 55 LEU QD . . 3.420 2.563 1.847 3.437 0.017 16 0 "[ . 1 . 2]" 1
530 1 47 LEU HG 1 48 SER H . . 4.480 4.211 3.677 4.622 0.142 13 0 "[ . 1 . 2]" 1
531 1 48 SER H 1 48 SER QB . . 3.410 2.437 2.229 2.899 . 0 0 "[ . 1 . 2]" 1
532 1 48 SER H 1 49 VAL H . . 4.370 4.337 4.216 4.396 0.026 16 0 "[ . 1 . 2]" 1
533 1 48 SER HA 1 49 VAL H . . 3.240 2.145 2.138 2.155 . 0 0 "[ . 1 . 2]" 1
534 1 48 SER QB 1 49 VAL H . . 4.440 3.643 3.261 3.899 . 0 0 "[ . 1 . 2]" 1
535 1 48 SER HB2 1 49 VAL H . . 5.160 4.243 3.374 4.529 . 0 0 "[ . 1 . 2]" 1
536 1 48 SER HB3 1 49 VAL H . . 5.160 4.070 3.547 4.447 . 0 0 "[ . 1 . 2]" 1
537 1 49 VAL H 1 49 VAL MG1 . . 4.580 3.346 2.058 3.918 . 0 0 "[ . 1 . 2]" 1
538 1 49 VAL H 1 49 VAL QG . . 3.320 2.283 1.931 2.932 . 0 0 "[ . 1 . 2]" 1
539 1 49 VAL H 1 49 VAL MG2 . . 4.580 2.414 1.948 3.890 . 0 0 "[ . 1 . 2]" 1
540 1 49 VAL HA 1 50 PRO QD . . 3.580 2.034 1.850 2.110 . 0 0 "[ . 1 . 2]" 1
541 1 49 VAL HB 1 50 PRO QD . . 4.000 2.682 1.945 3.863 . 0 0 "[ . 1 . 2]" 1
542 1 49 VAL QG 1 53 SER H . . 4.650 3.452 2.882 4.666 0.016 11 0 "[ . 1 . 2]" 1
543 1 49 VAL QG 1 69 ALA MB . . 3.400 2.871 1.799 3.403 0.003 13 0 "[ . 1 . 2]" 1
544 1 49 VAL MG1 1 69 ALA MB . . 4.770 4.010 2.118 4.777 0.007 19 0 "[ . 1 . 2]" 1
545 1 49 VAL MG2 1 69 ALA MB . . 4.770 3.118 1.802 4.769 . 0 0 "[ . 1 . 2]" 1
546 1 50 PRO QG 1 51 VAL H . . 4.120 2.196 1.938 4.126 0.006 11 0 "[ . 1 . 2]" 1
547 1 51 VAL H 1 51 VAL MG1 . . 4.220 2.628 1.988 3.809 . 0 0 "[ . 1 . 2]" 1
548 1 51 VAL H 1 51 VAL MG2 . . 4.220 2.630 1.963 3.923 . 0 0 "[ . 1 . 2]" 1
549 1 51 VAL HA 1 53 SER H . . 5.270 4.591 3.683 5.272 0.002 20 0 "[ . 1 . 2]" 1
550 1 51 VAL HB 1 52 ASN H . . 5.130 3.189 1.950 4.564 . 0 0 "[ . 1 . 2]" 1
551 1 51 VAL QG 1 52 ASN H . . 4.320 2.619 1.947 3.641 . 0 0 "[ . 1 . 2]" 1
552 1 51 VAL MG1 1 52 ASN H . . 5.090 3.433 2.010 4.361 . 0 0 "[ . 1 . 2]" 1
553 1 51 VAL MG2 1 52 ASN H . . 5.090 3.066 1.951 4.192 . 0 0 "[ . 1 . 2]" 1
554 1 52 ASN H 1 53 SER H . . 3.800 3.290 2.199 3.787 . 0 0 "[ . 1 . 2]" 1
555 1 52 ASN H 1 53 SER HA . . 4.990 4.811 4.512 5.102 0.112 17 0 "[ . 1 . 2]" 1
556 1 52 ASN QB 1 52 ASN QD . . 2.960 2.159 2.063 2.438 . 0 0 "[ . 1 . 2]" 1
557 1 53 SER H 1 53 SER QB . . 3.270 2.342 2.166 2.810 . 0 0 "[ . 1 . 2]" 1
558 1 53 SER H 1 54 THR H . . 5.130 4.377 2.847 4.574 . 0 0 "[ . 1 . 2]" 1
559 1 53 SER H 1 55 LEU QD . . 5.210 4.675 4.107 5.211 0.001 6 0 "[ . 1 . 2]" 1
560 1 53 SER H 1 69 ALA H . . 5.260 4.970 4.005 5.262 0.002 19 0 "[ . 1 . 2]" 1
561 1 53 SER H 1 69 ALA MB . . 4.090 3.706 2.967 4.088 . 0 0 "[ . 1 . 2]" 1
562 1 53 SER HA 1 54 THR H . . 3.060 2.712 2.401 3.548 0.488 15 0 "[ . 1 . 2]" 1
563 1 53 SER QB 1 54 THR H . . 3.200 2.441 1.943 3.207 0.007 11 0 "[ . 1 . 2]" 1
564 1 53 SER HG 1 54 THR H . . 3.150 2.694 2.157 3.154 0.004 17 0 "[ . 1 . 2]" 1
565 1 54 THR H 1 54 THR HG1 . . 4.810 2.896 2.306 3.781 . 0 0 "[ . 1 . 2]" 1
566 1 54 THR H 1 54 THR MG . . 3.910 3.731 3.328 3.896 . 0 0 "[ . 1 . 2]" 1
567 1 54 THR H 1 55 LEU H . . 4.820 4.574 4.428 4.594 . 0 0 "[ . 1 . 2]" 1
568 1 54 THR H 1 69 ALA H . . 5.500 5.200 4.334 5.506 0.006 12 0 "[ . 1 . 2]" 1
569 1 54 THR HA 1 54 THR MG . . 2.950 2.054 1.958 2.214 . 0 0 "[ . 1 . 2]" 1
570 1 54 THR HA 1 55 LEU H . . 2.820 2.358 2.276 2.550 . 0 0 "[ . 1 . 2]" 1
571 1 54 THR HA 1 68 LYS HA . . 3.730 2.135 1.995 2.577 . 0 0 "[ . 1 . 2]" 1
572 1 54 THR HB 1 55 LEU H . . 3.380 3.190 2.731 3.382 0.002 17 0 "[ . 1 . 2]" 1
573 1 54 THR MG 1 55 LEU H . . 3.350 2.198 1.931 2.912 . 0 0 "[ . 1 . 2]" 1
574 1 54 THR MG 1 67 VAL H . . 4.090 3.483 3.095 4.062 . 0 0 "[ . 1 . 2]" 1
575 1 54 THR MG 1 68 LYS H . . 4.360 3.598 3.122 4.364 0.004 15 0 "[ . 1 . 2]" 1
576 1 54 THR MG 1 68 LYS HA . . 3.170 2.452 1.973 2.960 . 0 0 "[ . 1 . 2]" 1
577 1 54 THR MG 1 69 ALA H . . 4.690 4.284 3.777 4.699 0.009 14 0 "[ . 1 . 2]" 1
578 1 55 LEU H 1 66 THR HA . . 5.080 4.906 4.744 5.081 0.001 9 0 "[ . 1 . 2]" 1
579 1 55 LEU H 1 67 VAL H . . 3.290 3.285 3.217 3.320 0.030 17 0 "[ . 1 . 2]" 1
580 1 55 LEU H 1 67 VAL QG . . 4.080 3.839 3.520 4.063 . 0 0 "[ . 1 . 2]" 1
581 1 55 LEU H 1 68 LYS HA . . 4.100 2.851 2.629 3.221 . 0 0 "[ . 1 . 2]" 1
582 1 55 LEU H 1 69 ALA H . . 4.590 4.230 3.972 4.593 0.003 11 0 "[ . 1 . 2]" 1
583 1 55 LEU HA 1 55 LEU QD . . 3.550 2.508 1.964 3.031 . 0 0 "[ . 1 . 2]" 1
584 1 55 LEU HA 1 55 LEU HG . . 3.440 2.686 2.206 3.420 . 0 0 "[ . 1 . 2]" 1
585 1 55 LEU HA 1 56 LYS H . . 2.650 2.163 2.139 2.250 . 0 0 "[ . 1 . 2]" 1
586 1 55 LEU HB2 1 67 VAL H . . 3.900 3.580 2.895 3.910 0.010 20 0 "[ . 1 . 2]" 1
587 1 55 LEU HB2 1 67 VAL QG . . 3.810 2.825 1.947 3.492 . 0 0 "[ . 1 . 2]" 1
588 1 55 LEU HB3 1 56 LYS H . . 3.490 3.270 2.856 3.500 0.010 11 0 "[ . 1 . 2]" 1
589 1 55 LEU QD 1 56 LYS H . . 4.430 3.694 2.958 4.223 . 0 0 "[ . 1 . 2]" 1
590 1 55 LEU QD 1 69 ALA HA . . 4.530 2.171 1.894 2.725 . 0 0 "[ . 1 . 2]" 1
591 1 55 LEU QD 1 69 ALA MB . . 3.420 2.036 1.670 3.100 . 0 0 "[ . 1 . 2]" 1
592 1 55 LEU QD 1 70 ALA H . . 4.570 3.606 2.913 4.273 . 0 0 "[ . 1 . 2]" 1
593 1 55 LEU MD1 1 69 ALA MB . . 3.900 2.105 1.762 3.626 . 0 0 "[ . 1 . 2]" 1
594 1 55 LEU MD2 1 69 ALA MB . . 3.900 3.142 2.073 3.906 0.006 20 0 "[ . 1 . 2]" 1
595 1 55 LEU HG 1 69 ALA MB . . 3.920 3.373 2.071 3.932 0.012 16 0 "[ . 1 . 2]" 1
596 1 56 LYS H 1 56 LYS HB2 . . 3.460 2.980 2.861 3.295 . 0 0 "[ . 1 . 2]" 1
597 1 56 LYS H 1 56 LYS HB3 . . 3.100 2.449 2.380 2.616 . 0 0 "[ . 1 . 2]" 1
598 1 56 LYS H 1 56 LYS QG . . 5.090 3.976 3.920 4.139 . 0 0 "[ . 1 . 2]" 1
599 1 56 LYS H 1 66 THR HA . . 5.160 5.104 4.856 5.179 0.019 16 0 "[ . 1 . 2]" 1
600 1 56 LYS HA 1 56 LYS HG2 . . 3.930 3.284 2.506 3.631 . 0 0 "[ . 1 . 2]" 1
601 1 56 LYS HA 1 56 LYS QG . . 3.440 2.497 2.419 2.566 . 0 0 "[ . 1 . 2]" 1
602 1 56 LYS HA 1 56 LYS HG3 . . 3.930 2.680 2.493 3.588 . 0 0 "[ . 1 . 2]" 1
603 1 56 LYS HA 1 57 ILE H . . 2.670 2.146 2.141 2.158 . 0 0 "[ . 1 . 2]" 1
604 1 56 LYS HA 1 66 THR H . . 5.300 5.223 5.049 5.317 0.017 11 0 "[ . 1 . 2]" 1
605 1 56 LYS HA 1 66 THR HA . . 3.620 2.582 2.352 2.721 . 0 0 "[ . 1 . 2]" 1
606 1 56 LYS HA 1 67 VAL H . . 3.860 3.674 3.481 3.844 . 0 0 "[ . 1 . 2]" 1
607 1 56 LYS HB2 1 57 ILE H . . 4.330 4.210 4.139 4.337 0.007 19 0 "[ . 1 . 2]" 1
608 1 56 LYS HB3 1 66 THR MG . . 4.410 3.983 3.584 4.410 . 0 0 "[ . 1 . 2]" 1
609 1 56 LYS QD 1 66 THR MG . . 3.760 3.211 2.458 3.778 0.018 17 0 "[ . 1 . 2]" 1
610 1 56 LYS QE 1 58 THR HG1 . . 4.090 3.904 3.237 4.095 0.005 19 0 "[ . 1 . 2]" 1
611 1 56 LYS QE 1 58 THR MG . . 3.310 2.524 1.903 3.209 . 0 0 "[ . 1 . 2]" 1
612 1 56 LYS QE 1 66 THR MG . . 5.220 4.381 3.574 4.999 . 0 0 "[ . 1 . 2]" 1
613 1 56 LYS HE2 1 58 THR HG1 . . 4.800 4.407 3.505 4.796 . 0 0 "[ . 1 . 2]" 1
614 1 56 LYS HE3 1 58 THR HG1 . . 4.800 4.496 3.301 4.808 0.008 18 0 "[ . 1 . 2]" 1
615 1 56 LYS HG2 1 57 ILE H . . 4.290 3.456 2.596 3.982 . 0 0 "[ . 1 . 2]" 1
616 1 56 LYS HG3 1 57 ILE H . . 4.290 3.143 2.686 4.314 0.024 17 0 "[ . 1 . 2]" 1
617 1 57 ILE H 1 57 ILE HB . . 3.120 2.712 2.620 2.832 . 0 0 "[ . 1 . 2]" 1
618 1 57 ILE H 1 57 ILE MD . . 5.440 3.184 2.000 4.012 . 0 0 "[ . 1 . 2]" 1
619 1 57 ILE H 1 57 ILE QG . . 3.880 2.911 2.496 3.378 . 0 0 "[ . 1 . 2]" 1
620 1 57 ILE H 1 58 THR H . . 4.670 4.342 4.192 4.464 . 0 0 "[ . 1 . 2]" 1
621 1 57 ILE H 1 65 VAL H . . 3.750 3.611 3.426 3.760 0.010 3 0 "[ . 1 . 2]" 1
622 1 57 ILE H 1 65 VAL HB . . 5.500 5.312 3.293 5.580 0.080 4 0 "[ . 1 . 2]" 1
623 1 57 ILE H 1 65 VAL QG . . 3.470 3.270 2.981 3.487 0.017 7 0 "[ . 1 . 2]" 1
624 1 57 ILE H 1 66 THR HA . . 3.920 2.815 2.587 3.206 . 0 0 "[ . 1 . 2]" 1
625 1 57 ILE H 1 67 VAL H . . 4.590 4.318 4.180 4.561 . 0 0 "[ . 1 . 2]" 1
626 1 57 ILE HA 1 57 ILE HG12 . . 4.030 3.049 2.587 3.571 . 0 0 "[ . 1 . 2]" 1
627 1 57 ILE HA 1 57 ILE QG . . 3.530 2.438 2.291 2.551 . 0 0 "[ . 1 . 2]" 1
628 1 57 ILE HA 1 57 ILE HG13 . . 4.030 2.726 2.329 3.262 . 0 0 "[ . 1 . 2]" 1
629 1 57 ILE HA 1 57 ILE MG . . 3.670 2.296 2.225 2.360 . 0 0 "[ . 1 . 2]" 1
630 1 57 ILE HA 1 58 THR H . . 2.650 2.164 2.137 2.228 . 0 0 "[ . 1 . 2]" 1
631 1 57 ILE HA 1 58 THR MG . . 4.350 3.635 3.457 3.846 . 0 0 "[ . 1 . 2]" 1
632 1 57 ILE HB 1 58 THR H . . 4.610 4.104 3.936 4.270 . 0 0 "[ . 1 . 2]" 1
633 1 57 ILE HB 1 65 VAL H . . 4.020 3.817 3.368 4.048 0.028 4 0 "[ . 1 . 2]" 1
634 1 57 ILE HB 1 65 VAL QG . . 3.010 1.947 1.879 2.773 . 0 0 "[ . 1 . 2]" 1
635 1 57 ILE HB 1 66 THR H . . 5.500 5.449 5.155 5.544 0.044 19 0 "[ . 1 . 2]" 1
636 1 57 ILE MD 1 65 VAL QG . . 3.140 2.566 2.206 2.918 . 0 0 "[ . 1 . 2]" 1
637 1 57 ILE QG 1 58 THR H . . 4.640 4.197 3.992 4.403 . 0 0 "[ . 1 . 2]" 1
638 1 57 ILE QG 1 65 VAL QG . . 3.830 3.517 3.258 3.749 . 0 0 "[ . 1 . 2]" 1
639 1 57 ILE MG 1 58 THR H . . 3.280 2.495 2.086 2.882 . 0 0 "[ . 1 . 2]" 1
640 1 58 THR H 1 58 THR HB . . 4.000 3.856 3.759 3.955 . 0 0 "[ . 1 . 2]" 1
641 1 58 THR H 1 58 THR HG1 . . 3.840 3.089 2.487 3.754 . 0 0 "[ . 1 . 2]" 1
642 1 58 THR H 1 58 THR MG . . 3.700 2.866 2.593 3.257 . 0 0 "[ . 1 . 2]" 1
643 1 58 THR H 1 65 VAL H . . 5.230 4.945 4.694 5.093 . 0 0 "[ . 1 . 2]" 1
644 1 58 THR HA 1 58 THR MG . . 2.920 2.373 2.232 2.448 . 0 0 "[ . 1 . 2]" 1
645 1 58 THR HA 1 59 TYR H . . 2.630 2.222 2.196 2.280 . 0 0 "[ . 1 . 2]" 1
646 1 58 THR HA 1 64 PRO HA . . 4.370 2.590 2.369 2.803 . 0 0 "[ . 1 . 2]" 1
647 1 58 THR HB 1 59 TYR H . . 3.290 2.917 2.721 3.016 . 0 0 "[ . 1 . 2]" 1
648 1 58 THR MG 1 59 TYR H . . 4.130 3.898 3.714 4.002 . 0 0 "[ . 1 . 2]" 1
649 1 58 THR MG 1 64 PRO QB . . 3.030 2.133 1.899 2.377 . 0 0 "[ . 1 . 2]" 1
650 1 58 THR MG 1 64 PRO QG . . 4.150 3.701 3.226 4.131 . 0 0 "[ . 1 . 2]" 1
651 1 58 THR MG 1 65 VAL H . . 4.350 3.226 2.698 3.978 . 0 0 "[ . 1 . 2]" 1
652 1 59 TYR H 1 59 TYR HB2 . . 3.990 2.995 2.737 3.256 . 0 0 "[ . 1 . 2]" 1
653 1 59 TYR H 1 59 TYR QB . . 3.350 2.653 2.598 2.711 . 0 0 "[ . 1 . 2]" 1
654 1 59 TYR H 1 59 TYR HB3 . . 3.990 3.214 2.737 3.844 . 0 0 "[ . 1 . 2]" 1
655 1 59 TYR H 1 59 TYR QD . . 5.280 3.622 2.407 4.408 . 0 0 "[ . 1 . 2]" 1
656 1 59 TYR H 1 60 ILE H . . 4.740 4.297 4.127 4.468 . 0 0 "[ . 1 . 2]" 1
657 1 59 TYR H 1 77 LEU QD . . 4.240 3.615 2.913 4.174 . 0 0 "[ . 1 . 2]" 1
658 1 59 TYR H 1 77 LEU HG . . 5.500 5.087 4.412 5.573 0.073 19 0 "[ . 1 . 2]" 1
659 1 59 TYR HA 1 60 ILE H . . 2.630 2.209 2.137 2.321 . 0 0 "[ . 1 . 2]" 1
660 1 59 TYR HA 1 60 ILE MG . . 4.560 3.703 3.522 3.826 . 0 0 "[ . 1 . 2]" 1
661 1 59 TYR QB 1 60 ILE H . . 3.910 3.331 2.604 3.851 . 0 0 "[ . 1 . 2]" 1
662 1 59 TYR QB 1 62 TYR H . . 4.610 3.461 3.169 3.809 . 0 0 "[ . 1 . 2]" 1
663 1 59 TYR QB 1 62 TYR HD2 . . 4.580 4.530 4.223 4.619 0.039 19 0 "[ . 1 . 2]" 1
664 1 59 TYR QB 1 77 LEU QD . . 3.840 1.950 1.830 2.114 . 0 0 "[ . 1 . 2]" 1
665 1 59 TYR HB2 1 60 ILE H . . 4.560 4.073 3.639 4.442 . 0 0 "[ . 1 . 2]" 1
666 1 59 TYR HB3 1 60 ILE H . . 4.560 3.603 2.664 4.272 . 0 0 "[ . 1 . 2]" 1
667 1 59 TYR QD 1 60 ILE H . . 4.280 3.335 2.435 4.176 . 0 0 "[ . 1 . 2]" 1
668 1 59 TYR QD 1 77 LEU QD . . 4.830 2.186 1.917 2.686 . 0 0 "[ . 1 . 2]" 1
669 1 60 ILE H 1 60 ILE HB . . 2.850 2.713 2.573 2.898 0.048 19 0 "[ . 1 . 2]" 1
670 1 60 ILE H 1 60 ILE MD . . 4.410 4.309 4.049 4.431 0.021 19 0 "[ . 1 . 2]" 1
671 1 60 ILE H 1 60 ILE HG12 . . 4.900 4.496 4.342 4.733 . 0 0 "[ . 1 . 2]" 1
672 1 60 ILE H 1 60 ILE QG . . 4.270 3.994 3.963 4.063 . 0 0 "[ . 1 . 2]" 1
673 1 60 ILE H 1 60 ILE HG13 . . 4.900 4.486 4.344 4.583 . 0 0 "[ . 1 . 2]" 1
674 1 60 ILE H 1 60 ILE MG . . 3.090 2.001 1.904 2.187 . 0 0 "[ . 1 . 2]" 1
675 1 60 ILE H 1 61 GLY H . . 4.520 4.387 4.291 4.497 . 0 0 "[ . 1 . 2]" 1
676 1 60 ILE HA 1 61 GLY H . . 2.600 2.154 2.143 2.164 . 0 0 "[ . 1 . 2]" 1
677 1 60 ILE HA 1 62 TYR H . . 4.270 4.227 4.117 4.284 0.014 18 0 "[ . 1 . 2]" 1
678 1 60 ILE HB 1 61 GLY H . . 4.420 4.325 4.252 4.371 . 0 0 "[ . 1 . 2]" 1
679 1 60 ILE QG 1 61 GLY H . . 3.810 3.122 2.713 3.545 . 0 0 "[ . 1 . 2]" 1
680 1 60 ILE MG 1 61 GLY H . . 4.370 4.170 4.111 4.204 . 0 0 "[ . 1 . 2]" 1
681 1 61 GLY H 1 62 TYR HD2 . . 4.880 4.833 4.707 4.882 0.002 2 0 "[ . 1 . 2]" 1
682 1 62 TYR H 1 62 TYR HB2 . . 3.070 2.445 2.416 2.489 . 0 0 "[ . 1 . 2]" 1
683 1 62 TYR H 1 62 TYR HB3 . . 3.860 3.661 3.642 3.688 . 0 0 "[ . 1 . 2]" 1
684 1 62 TYR H 1 62 TYR HD2 . . 3.320 2.428 2.284 2.660 . 0 0 "[ . 1 . 2]" 1
685 1 62 TYR H 1 63 LYS H . . 4.660 4.505 4.486 4.521 . 0 0 "[ . 1 . 2]" 1
686 1 62 TYR H 1 77 LEU MD1 . . 4.950 5.095 5.022 5.204 0.254 19 0 "[ . 1 . 2]" 1
687 1 62 TYR H 1 77 LEU QD . . 4.190 3.228 3.111 3.347 . 0 0 "[ . 1 . 2]" 1
688 1 62 TYR H 1 77 LEU MD2 . . 4.950 3.264 3.141 3.394 . 0 0 "[ . 1 . 2]" 1
689 1 62 TYR H 1 77 LEU HG . . 5.500 4.274 4.188 4.459 . 0 0 "[ . 1 . 2]" 1
690 1 62 TYR H 1 80 ASP QB . . 5.340 4.612 4.195 5.170 . 0 0 "[ . 1 . 2]" 1
691 1 62 TYR HA 1 63 LYS H . . 2.910 2.476 2.471 2.483 . 0 0 "[ . 1 . 2]" 1
692 1 62 TYR HA 1 79 GLU HA . . 3.500 3.072 2.533 3.477 . 0 0 "[ . 1 . 2]" 1
693 1 62 TYR HA 1 80 ASP H . . 2.860 2.706 2.603 2.835 . 0 0 "[ . 1 . 2]" 1
694 1 62 TYR HB2 1 63 LYS H . . 3.690 3.586 3.545 3.632 . 0 0 "[ . 1 . 2]" 1
695 1 62 TYR HB2 1 77 LEU QD . . 4.490 1.985 1.916 2.086 . 0 0 "[ . 1 . 2]" 1
696 1 62 TYR HB2 1 78 GLU H . . 5.340 4.784 4.607 5.205 . 0 0 "[ . 1 . 2]" 1
697 1 62 TYR HB2 1 80 ASP H . . 5.500 5.525 5.504 5.567 0.067 10 0 "[ . 1 . 2]" 1
698 1 62 TYR HB3 1 63 LYS H . . 3.270 2.259 2.248 2.272 . 0 0 "[ . 1 . 2]" 1
699 1 62 TYR HB3 1 77 LEU HB2 . . 4.480 4.494 4.448 4.512 0.032 2 0 "[ . 1 . 2]" 1
700 1 62 TYR HB3 1 77 LEU MD1 . . 4.780 3.887 3.662 4.014 . 0 0 "[ . 1 . 2]" 1
701 1 62 TYR HB3 1 77 LEU QD . . 3.810 3.073 2.876 3.141 . 0 0 "[ . 1 . 2]" 1
702 1 62 TYR HB3 1 77 LEU MD2 . . 4.780 3.220 3.007 3.307 . 0 0 "[ . 1 . 2]" 1
703 1 62 TYR HB3 1 77 LEU HG . . 4.350 2.253 1.977 2.396 . 0 0 "[ . 1 . 2]" 1
704 1 62 TYR HB3 1 78 GLU H . . 4.800 3.433 3.231 3.726 . 0 0 "[ . 1 . 2]" 1
705 1 62 TYR HB3 1 80 ASP H . . 4.750 4.539 4.463 4.631 . 0 0 "[ . 1 . 2]" 1
706 1 62 TYR HD1 1 63 LYS H . . 4.410 3.766 3.705 3.795 . 0 0 "[ . 1 . 2]" 1
707 1 62 TYR HD1 1 77 LEU HB2 . . 4.550 4.561 4.433 4.600 0.050 19 0 "[ . 1 . 2]" 1
708 1 62 TYR HD1 1 77 LEU HB3 . . 5.410 2.827 2.705 2.891 . 0 0 "[ . 1 . 2]" 1
709 1 62 TYR HD1 1 78 GLU H . . 4.250 3.794 3.536 3.985 . 0 0 "[ . 1 . 2]" 1
710 1 62 TYR HD1 1 79 GLU HA . . 4.440 2.647 2.409 2.936 . 0 0 "[ . 1 . 2]" 1
711 1 62 TYR HD1 1 80 ASP H . . 4.830 4.515 4.217 4.845 0.015 10 0 "[ . 1 . 2]" 1
712 1 63 LYS H 1 63 LYS QB . . 2.930 2.230 2.055 2.487 . 0 0 "[ . 1 . 2]" 1
713 1 63 LYS H 1 63 LYS HG2 . . 4.290 3.380 2.132 3.975 . 0 0 "[ . 1 . 2]" 1
714 1 63 LYS H 1 63 LYS QG . . 3.670 2.725 2.108 3.290 . 0 0 "[ . 1 . 2]" 1
715 1 63 LYS H 1 63 LYS HG3 . . 4.290 3.032 2.426 3.753 . 0 0 "[ . 1 . 2]" 1
716 1 63 LYS H 1 64 PRO HD2 . . 5.360 4.764 4.732 4.806 . 0 0 "[ . 1 . 2]" 1
717 1 63 LYS H 1 64 PRO QD . . 4.580 4.351 4.341 4.358 . 0 0 "[ . 1 . 2]" 1
718 1 63 LYS H 1 64 PRO HD3 . . 5.360 5.031 4.963 5.075 . 0 0 "[ . 1 . 2]" 1
719 1 63 LYS H 1 77 LEU HB3 . . 5.090 5.126 5.103 5.159 0.069 6 0 "[ . 1 . 2]" 1
720 1 63 LYS H 1 77 LEU QD . . 4.600 4.358 3.951 4.519 . 0 0 "[ . 1 . 2]" 1
721 1 63 LYS H 1 78 GLU H . . 4.770 3.767 3.595 3.916 . 0 0 "[ . 1 . 2]" 1
722 1 63 LYS H 1 78 GLU QG . . 5.340 4.780 3.153 5.352 0.012 19 0 "[ . 1 . 2]" 1
723 1 63 LYS H 1 79 GLU HA . . 4.800 3.703 3.360 3.952 . 0 0 "[ . 1 . 2]" 1
724 1 63 LYS H 1 80 ASP H . . 3.940 3.740 3.401 3.937 . 0 0 "[ . 1 . 2]" 1
725 1 63 LYS H 1 80 ASP QB . . 4.490 2.854 2.439 4.105 . 0 0 "[ . 1 . 2]" 1
726 1 63 LYS HA 1 63 LYS QG . . 3.430 2.254 2.054 2.766 . 0 0 "[ . 1 . 2]" 1
727 1 63 LYS HA 1 64 PRO HD2 . . 3.290 2.394 2.250 2.471 . 0 0 "[ . 1 . 2]" 1
728 1 63 LYS HA 1 64 PRO HD3 . . 3.290 2.303 2.259 2.331 . 0 0 "[ . 1 . 2]" 1
729 1 63 LYS QB 1 63 LYS QE . . 4.540 3.372 2.340 3.676 . 0 0 "[ . 1 . 2]" 1
730 1 63 LYS QB 1 64 PRO QD . . 3.740 2.174 1.955 2.740 . 0 0 "[ . 1 . 2]" 1
731 1 63 LYS QD 1 64 PRO QD . . 5.180 2.775 1.924 3.482 . 0 0 "[ . 1 . 2]" 1
732 1 63 LYS QE 1 80 ASP HA . . 4.060 3.178 2.134 4.033 . 0 0 "[ . 1 . 2]" 1
733 1 63 LYS QG 1 64 PRO QD . . 5.180 2.839 2.120 3.707 . 0 0 "[ . 1 . 2]" 1
734 1 63 LYS QG 1 80 ASP QB . . 3.920 2.501 1.935 3.906 . 0 0 "[ . 1 . 2]" 1
735 1 63 LYS HG2 1 80 ASP H . . 5.500 5.035 3.448 5.505 0.005 13 0 "[ . 1 . 2]" 1
736 1 63 LYS HG2 1 80 ASP HB2 . . 5.440 3.017 2.190 5.175 . 0 0 "[ . 1 . 2]" 1
737 1 63 LYS HG2 1 80 ASP HB3 . . 5.440 3.886 2.010 5.018 . 0 0 "[ . 1 . 2]" 1
738 1 63 LYS HG3 1 80 ASP H . . 5.500 4.433 3.909 5.500 0.000 15 0 "[ . 1 . 2]" 1
739 1 63 LYS HG3 1 80 ASP HB2 . . 5.440 3.223 2.128 4.969 . 0 0 "[ . 1 . 2]" 1
740 1 63 LYS HG3 1 80 ASP HB3 . . 5.440 4.104 3.009 5.331 . 0 0 "[ . 1 . 2]" 1
741 1 64 PRO QB 1 65 VAL H . . 3.520 2.504 2.239 2.773 . 0 0 "[ . 1 . 2]" 1
742 1 64 PRO HB2 1 65 VAL H . . 4.340 2.574 2.278 2.884 . 0 0 "[ . 1 . 2]" 1
743 1 64 PRO HB3 1 65 VAL H . . 4.340 3.437 3.294 3.599 . 0 0 "[ . 1 . 2]" 1
744 1 65 VAL H 1 65 VAL MG1 . . 4.470 2.833 2.197 3.878 . 0 0 "[ . 1 . 2]" 1
745 1 65 VAL H 1 65 VAL QG . . 3.780 2.296 2.149 2.862 . 0 0 "[ . 1 . 2]" 1
746 1 65 VAL H 1 65 VAL MG2 . . 4.470 2.989 2.188 4.025 . 0 0 "[ . 1 . 2]" 1
747 1 65 VAL HA 1 66 THR H . . 2.520 2.217 2.147 2.266 . 0 0 "[ . 1 . 2]" 1
748 1 65 VAL HB 1 66 THR H . . 4.180 3.469 2.847 4.120 . 0 0 "[ . 1 . 2]" 1
749 1 65 VAL QG 1 66 THR H . . 3.960 2.835 1.912 3.541 . 0 0 "[ . 1 . 2]" 1
750 1 65 VAL QG 1 66 THR HA . . 4.440 3.576 3.234 3.980 . 0 0 "[ . 1 . 2]" 1
751 1 65 VAL QG 1 67 VAL H . . 4.960 4.411 3.829 4.984 0.024 17 0 "[ . 1 . 2]" 1
752 1 65 VAL MG1 1 66 THR H . . 5.200 3.697 2.323 3.950 . 0 0 "[ . 1 . 2]" 1
753 1 65 VAL MG2 1 66 THR H . . 5.200 3.127 1.923 4.047 . 0 0 "[ . 1 . 2]" 1
754 1 66 THR H 1 66 THR HB . . 3.820 3.709 3.145 3.816 . 0 0 "[ . 1 . 2]" 1
755 1 66 THR H 1 66 THR HG1 . . 4.550 3.086 2.129 3.669 . 0 0 "[ . 1 . 2]" 1
756 1 66 THR H 1 66 THR MG . . 4.140 3.262 3.016 3.877 . 0 0 "[ . 1 . 2]" 1
757 1 66 THR H 1 67 VAL H . . 4.480 4.357 4.228 4.424 . 0 0 "[ . 1 . 2]" 1
758 1 66 THR HA 1 66 THR MG . . 3.190 2.195 1.994 2.331 . 0 0 "[ . 1 . 2]" 1
759 1 66 THR HA 1 67 VAL H . . 2.630 2.183 2.144 2.226 . 0 0 "[ . 1 . 2]" 1
760 1 66 THR HB 1 67 VAL H . . 3.760 3.153 2.895 3.720 . 0 0 "[ . 1 . 2]" 1
761 1 66 THR MG 1 67 VAL H . . 4.460 3.645 2.690 3.897 . 0 0 "[ . 1 . 2]" 1
762 1 67 VAL H 1 67 VAL HB . . 4.030 3.891 3.855 3.924 . 0 0 "[ . 1 . 2]" 1
763 1 67 VAL H 1 67 VAL MG1 . . 4.340 3.273 3.032 3.393 . 0 0 "[ . 1 . 2]" 1
764 1 67 VAL H 1 67 VAL QG . . 2.930 2.267 2.146 2.393 . 0 0 "[ . 1 . 2]" 1
765 1 67 VAL H 1 67 VAL MG2 . . 4.340 2.313 2.178 2.468 . 0 0 "[ . 1 . 2]" 1
766 1 67 VAL H 1 68 LYS H . . 4.520 4.367 4.240 4.426 . 0 0 "[ . 1 . 2]" 1
767 1 67 VAL HA 1 68 LYS H . . 2.530 2.330 2.158 2.534 0.004 15 0 "[ . 1 . 2]" 1
768 1 67 VAL HB 1 68 LYS H . . 3.210 2.584 2.088 3.197 . 0 0 "[ . 1 . 2]" 1
769 1 67 VAL QG 1 68 LYS H . . 3.820 3.242 3.019 3.506 . 0 0 "[ . 1 . 2]" 1
770 1 67 VAL MG1 1 68 LYS H . . 4.440 3.602 3.423 3.938 . 0 0 "[ . 1 . 2]" 1
771 1 67 VAL MG2 1 68 LYS H . . 4.440 3.692 3.319 3.934 . 0 0 "[ . 1 . 2]" 1
772 1 68 LYS H 1 68 LYS HB2 . . 3.670 2.960 2.221 3.648 . 0 0 "[ . 1 . 2]" 1
773 1 68 LYS H 1 68 LYS QB . . 3.120 2.475 2.198 2.714 . 0 0 "[ . 1 . 2]" 1
774 1 68 LYS H 1 68 LYS HB3 . . 3.670 3.087 2.559 3.633 . 0 0 "[ . 1 . 2]" 1
775 1 68 LYS H 1 68 LYS QG . . 4.680 2.579 1.989 3.994 . 0 0 "[ . 1 . 2]" 1
776 1 68 LYS HA 1 69 ALA H . . 2.820 2.325 2.275 2.342 . 0 0 "[ . 1 . 2]" 1
777 1 68 LYS HA 1 69 ALA MB . . 4.530 4.025 3.897 4.127 . 0 0 "[ . 1 . 2]" 1
778 1 68 LYS QB 1 68 LYS QE . . 3.380 2.680 1.973 3.385 0.005 19 0 "[ . 1 . 2]" 1
779 1 68 LYS QB 1 69 ALA H . . 3.450 2.678 2.546 3.360 . 0 0 "[ . 1 . 2]" 1
780 1 68 LYS HB2 1 69 ALA H . . 3.960 3.310 2.585 3.963 0.003 6 0 "[ . 1 . 2]" 1
781 1 68 LYS HB3 1 69 ALA H . . 3.960 3.302 2.584 3.951 . 0 0 "[ . 1 . 2]" 1
782 1 69 ALA H 1 69 ALA MB . . 3.070 2.136 2.025 2.308 . 0 0 "[ . 1 . 2]" 1
783 1 69 ALA H 1 70 ALA H . . 4.730 4.454 3.706 4.606 . 0 0 "[ . 1 . 2]" 1
784 1 69 ALA HA 1 70 ALA H . . 2.880 2.188 2.141 2.496 . 0 0 "[ . 1 . 2]" 1
785 1 69 ALA MB 1 70 ALA H . . 4.000 3.187 2.952 3.711 . 0 0 "[ . 1 . 2]" 1
786 1 70 ALA H 1 70 ALA MB . . 3.480 2.694 2.294 2.832 . 0 0 "[ . 1 . 2]" 1
787 1 70 ALA H 1 72 ILE H . . 5.500 5.301 4.762 5.507 0.007 18 0 "[ . 1 . 2]" 1
788 1 70 ALA H 1 73 VAL HB . . 5.160 4.410 3.496 5.169 0.009 14 0 "[ . 1 . 2]" 1
789 1 70 ALA H 1 73 VAL QG . . 4.310 3.364 2.326 4.288 . 0 0 "[ . 1 . 2]" 1
790 1 70 ALA MB 1 71 ALA H . . 4.230 2.320 1.958 2.880 . 0 0 "[ . 1 . 2]" 1
791 1 70 ALA MB 1 72 ILE H . . 4.240 2.915 2.465 3.149 . 0 0 "[ . 1 . 2]" 1
792 1 70 ALA MB 1 73 VAL QG . . 4.270 3.099 1.981 3.866 . 0 0 "[ . 1 . 2]" 1
793 1 71 ALA H 1 72 ILE H . . 4.230 2.828 2.370 2.981 . 0 0 "[ . 1 . 2]" 1
794 1 71 ALA MB 1 72 ILE H . . 2.950 2.366 2.206 2.668 . 0 0 "[ . 1 . 2]" 1
795 1 71 ALA MB 1 72 ILE MD . . 4.310 3.036 1.825 3.668 . 0 0 "[ . 1 . 2]" 1
796 1 71 ALA MB 1 72 ILE QG . . 3.970 2.659 2.129 3.452 . 0 0 "[ . 1 . 2]" 1
797 1 72 ILE H 1 72 ILE HB . . 3.110 2.772 2.660 2.905 . 0 0 "[ . 1 . 2]" 1
798 1 72 ILE H 1 72 ILE QG . . 4.140 2.999 2.650 3.591 . 0 0 "[ . 1 . 2]" 1
799 1 72 ILE H 1 73 VAL H . . 5.080 4.178 3.973 4.412 . 0 0 "[ . 1 . 2]" 1
800 1 72 ILE HA 1 72 ILE MG . . 3.680 2.307 2.183 2.385 . 0 0 "[ . 1 . 2]" 1
801 1 72 ILE HA 1 73 VAL H . . 2.930 2.153 2.140 2.192 . 0 0 "[ . 1 . 2]" 1
802 1 72 ILE HG12 1 72 ILE MG . . 3.700 2.383 1.982 3.203 . 0 0 "[ . 1 . 2]" 1
803 1 72 ILE HG13 1 72 ILE MG . . 3.700 2.935 2.264 3.203 . 0 0 "[ . 1 . 2]" 1
804 1 72 ILE MG 1 73 VAL H . . 4.230 2.653 2.138 3.021 . 0 0 "[ . 1 . 2]" 1
805 1 72 ILE MG 1 74 ASN HD21 . . 4.610 4.441 4.235 4.610 . 0 0 "[ . 1 . 2]" 1
806 1 72 ILE MG 1 74 ASN HD22 . . 3.590 3.543 2.990 3.597 0.007 19 0 "[ . 1 . 2]" 1
807 1 73 VAL H 1 73 VAL HB . . 3.620 3.116 2.681 3.401 . 0 0 "[ . 1 . 2]" 1
808 1 73 VAL H 1 73 VAL QG . . 4.260 2.260 1.940 2.823 . 0 0 "[ . 1 . 2]" 1
809 1 73 VAL H 1 74 ASN H . . 4.850 4.217 4.059 4.458 . 0 0 "[ . 1 . 2]" 1
810 1 73 VAL H 1 74 ASN HA . . 5.250 4.772 4.668 4.936 . 0 0 "[ . 1 . 2]" 1
811 1 73 VAL HB 1 74 ASN H . . 4.630 4.220 4.092 4.323 . 0 0 "[ . 1 . 2]" 1
812 1 73 VAL QG 1 74 ASN H . . 3.630 2.659 2.285 2.959 . 0 0 "[ . 1 . 2]" 1
813 1 73 VAL QG 1 74 ASN HA . . 4.450 3.591 3.373 4.022 . 0 0 "[ . 1 . 2]" 1
814 1 73 VAL QG 1 75 VAL H . . 4.140 3.870 3.462 4.144 0.004 8 0 "[ . 1 . 2]" 1
815 1 74 ASN H 1 74 ASN HB2 . . 3.450 2.495 2.345 2.748 . 0 0 "[ . 1 . 2]" 1
816 1 74 ASN H 1 75 VAL H . . 4.540 4.306 4.146 4.528 . 0 0 "[ . 1 . 2]" 1
817 1 74 ASN HA 1 74 ASN HD21 . . 4.930 2.130 1.945 3.408 . 0 0 "[ . 1 . 2]" 1
818 1 74 ASN HA 1 75 VAL H . . 2.670 2.156 2.140 2.191 . 0 0 "[ . 1 . 2]" 1
819 1 74 ASN HB3 1 74 ASN HD21 . . 3.200 2.586 2.124 2.676 . 0 0 "[ . 1 . 2]" 1
820 1 74 ASN HB3 1 74 ASN HD22 . . 3.800 3.628 3.439 3.667 . 0 0 "[ . 1 . 2]" 1
821 1 74 ASN HB3 1 75 VAL H . . 3.730 3.464 3.073 3.705 . 0 0 "[ . 1 . 2]" 1
822 1 75 VAL H 1 75 VAL HB . . 3.100 2.757 2.690 2.871 . 0 0 "[ . 1 . 2]" 1
823 1 75 VAL H 1 76 LEU H . . 4.470 4.450 4.385 4.499 0.029 3 0 "[ . 1 . 2]" 1
824 1 75 VAL HA 1 76 LEU H . . 2.520 2.251 2.151 2.270 . 0 0 "[ . 1 . 2]" 1
825 1 75 VAL HB 1 76 LEU H . . 4.080 3.801 3.735 4.100 0.020 5 0 "[ . 1 . 2]" 1
826 1 75 VAL QG 1 76 LEU H . . 3.000 2.064 1.919 2.562 . 0 0 "[ . 1 . 2]" 1
827 1 76 LEU H 1 76 LEU QB . . 3.030 2.614 2.188 3.048 0.018 12 0 "[ . 1 . 2]" 1
828 1 76 LEU H 1 76 LEU QD . . 4.270 2.591 1.919 3.435 . 0 0 "[ . 1 . 2]" 1
829 1 76 LEU H 1 76 LEU HG . . 3.660 3.015 1.989 3.828 0.168 5 0 "[ . 1 . 2]" 1
830 1 76 LEU HA 1 76 LEU QD . . 3.540 2.919 1.974 3.445 . 0 0 "[ . 1 . 2]" 1
831 1 76 LEU HA 1 76 LEU HG . . 4.170 2.969 2.373 3.699 . 0 0 "[ . 1 . 2]" 1
832 1 76 LEU HA 1 77 LEU H . . 2.640 2.201 2.141 2.243 . 0 0 "[ . 1 . 2]" 1
833 1 76 LEU HA 1 77 LEU HA . . 4.390 4.359 4.346 4.387 . 0 0 "[ . 1 . 2]" 1
834 1 76 LEU QB 1 77 LEU H . . 3.590 2.957 2.782 3.309 . 0 0 "[ . 1 . 2]" 1
835 1 76 LEU HG 1 77 LEU H . . 5.450 4.612 4.220 5.123 . 0 0 "[ . 1 . 2]" 1
836 1 77 LEU H 1 77 LEU HB2 . . 3.260 2.180 2.150 2.249 . 0 0 "[ . 1 . 2]" 1
837 1 77 LEU H 1 77 LEU HB3 . . 3.940 3.133 3.002 3.191 . 0 0 "[ . 1 . 2]" 1
838 1 77 LEU H 1 77 LEU QD . . 4.450 3.209 3.024 3.426 . 0 0 "[ . 1 . 2]" 1
839 1 77 LEU H 1 77 LEU HG . . 5.230 4.592 4.557 4.637 . 0 0 "[ . 1 . 2]" 1
840 1 77 LEU H 1 78 GLU H . . 4.700 4.442 4.403 4.475 . 0 0 "[ . 1 . 2]" 1
841 1 77 LEU HA 1 77 LEU MD1 . . 4.000 2.011 1.890 2.160 . 0 0 "[ . 1 . 2]" 1
842 1 77 LEU HA 1 77 LEU QD . . 3.330 2.003 1.885 2.148 . 0 0 "[ . 1 . 2]" 1
843 1 77 LEU HA 1 77 LEU MD2 . . 4.000 3.777 3.774 3.782 . 0 0 "[ . 1 . 2]" 1
844 1 77 LEU HA 1 78 GLU H . . 2.600 2.141 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
845 1 77 LEU QD 1 78 GLU H . . 3.630 3.464 3.212 3.643 0.013 16 0 "[ . 1 . 2]" 1
846 1 77 LEU HG 1 78 GLU H . . 3.490 3.501 3.448 3.550 0.060 10 0 "[ . 1 . 2]" 1
847 1 78 GLU H 1 78 GLU QB . . 3.170 2.482 2.239 2.967 . 0 0 "[ . 1 . 2]" 1
848 1 78 GLU H 1 78 GLU HG2 . . 5.170 3.536 1.957 4.651 . 0 0 "[ . 1 . 2]" 1
849 1 78 GLU H 1 78 GLU QG . . 4.330 3.004 1.915 4.023 . 0 0 "[ . 1 . 2]" 1
850 1 78 GLU H 1 78 GLU HG3 . . 5.170 3.467 1.961 4.599 . 0 0 "[ . 1 . 2]" 1
851 1 78 GLU H 1 79 GLU H . . 4.690 4.535 4.467 4.580 . 0 0 "[ . 1 . 2]" 1
852 1 78 GLU H 1 79 GLU HA . . 5.500 5.385 5.277 5.461 . 0 0 "[ . 1 . 2]" 1
853 1 78 GLU HA 1 79 GLU H . . 2.500 2.201 2.151 2.258 . 0 0 "[ . 1 . 2]" 1
854 1 78 GLU QG 1 79 GLU H . . 4.630 3.596 2.548 4.513 . 0 0 "[ . 1 . 2]" 1
855 1 78 GLU HG2 1 79 GLU H . . 5.480 3.953 2.623 5.487 0.007 10 0 "[ . 1 . 2]" 1
856 1 78 GLU HG3 1 79 GLU H . . 5.480 4.304 2.730 5.344 . 0 0 "[ . 1 . 2]" 1
857 1 79 GLU H 1 79 GLU HB2 . . 3.190 3.114 2.681 3.573 0.383 19 0 "[ . 1 . 2]" 1
858 1 79 GLU H 1 79 GLU QB . . 2.730 2.664 2.610 2.731 0.001 10 0 "[ . 1 . 2]" 1
859 1 79 GLU H 1 79 GLU HB3 . . 3.190 3.206 2.737 3.584 0.394 6 0 "[ . 1 . 2]" 1
860 1 79 GLU H 1 79 GLU QG . . 2.960 2.049 1.905 2.281 . 0 0 "[ . 1 . 2]" 1
861 1 79 GLU H 1 80 ASP H . . 4.810 4.617 4.600 4.635 . 0 0 "[ . 1 . 2]" 1
862 1 79 GLU H 1 80 ASP HA . . 5.500 5.549 5.518 5.605 0.105 10 0 "[ . 1 . 2]" 1
863 1 79 GLU HA 1 80 ASP H . . 2.730 2.216 2.190 2.254 . 0 0 "[ . 1 . 2]" 1
864 1 79 GLU QB 1 80 ASP H . . 3.260 2.887 2.782 2.983 . 0 0 "[ . 1 . 2]" 1
865 1 79 GLU HB2 1 80 ASP H . . 3.800 3.448 2.875 3.869 0.069 20 0 "[ . 1 . 2]" 1
866 1 79 GLU HB3 1 80 ASP H . . 3.800 3.380 2.877 3.898 0.098 12 0 "[ . 1 . 2]" 1
867 1 80 ASP H 1 80 ASP HB2 . . 3.710 3.130 2.162 3.721 0.011 14 0 "[ . 1 . 2]" 1
868 1 80 ASP H 1 80 ASP QB . . 3.080 2.460 2.140 2.624 . 0 0 "[ . 1 . 2]" 1
869 1 80 ASP H 1 80 ASP HB3 . . 3.710 2.660 2.504 3.416 . 0 0 "[ . 1 . 2]" 1
870 1 80 ASP H 1 81 THR H . . 4.840 3.791 2.070 4.584 . 0 0 "[ . 1 . 2]" 1
871 1 80 ASP H 1 81 THR MG . . 5.000 4.177 3.128 4.992 . 0 0 "[ . 1 . 2]" 1
872 1 80 ASP HA 1 81 THR H . . 3.420 2.487 2.138 3.511 0.091 12 0 "[ . 1 . 2]" 1
873 1 81 THR H 1 81 THR HG1 . . 4.830 3.708 1.962 4.832 0.002 14 0 "[ . 1 . 2]" 1
874 1 81 THR H 1 81 THR MG . . 4.230 2.716 1.979 3.491 . 0 0 "[ . 1 . 2]" 1
875 1 81 THR H 1 82 GLN H . . 4.890 4.006 1.938 4.624 . 0 0 "[ . 1 . 2]" 1
876 1 81 THR HA 1 81 THR MG . . 3.680 2.579 2.010 3.206 . 0 0 "[ . 1 . 2]" 1
877 1 81 THR HG1 1 81 THR MG . . 3.160 2.482 2.086 3.015 . 0 0 "[ . 1 . 2]" 1
878 1 82 GLN H 1 82 GLN QB . . 3.260 2.471 2.152 3.154 . 0 0 "[ . 1 . 2]" 1
879 1 82 GLN H 1 82 GLN HG2 . . 5.500 3.819 2.049 5.095 . 0 0 "[ . 1 . 2]" 1
880 1 82 GLN H 1 82 GLN QG . . 4.730 3.214 2.037 4.321 . 0 0 "[ . 1 . 2]" 1
881 1 82 GLN H 1 82 GLN HG3 . . 5.500 3.687 2.201 4.749 . 0 0 "[ . 1 . 2]" 1
882 1 83 MET H 1 84 VAL H . . 4.620 4.274 2.831 4.621 0.001 3 0 "[ . 1 . 2]" 1
883 1 83 MET HA 1 84 VAL H . . 2.920 2.300 2.142 2.650 . 0 0 "[ . 1 . 2]" 1
884 1 83 MET HA 1 84 VAL HA . . 4.520 4.412 4.299 4.521 0.001 11 0 "[ . 1 . 2]" 1
885 1 83 MET QB 1 84 VAL H . . 4.480 3.260 2.101 3.992 . 0 0 "[ . 1 . 2]" 1
886 1 83 MET QG 1 84 VAL H . . 4.880 3.610 1.945 4.648 . 0 0 "[ . 1 . 2]" 1
887 1 84 VAL H 1 84 VAL QG . . 4.210 2.341 1.895 2.875 . 0 0 "[ . 1 . 2]" 1
888 1 84 VAL H 1 85 ASP H . . 4.130 3.600 2.063 4.338 0.208 11 0 "[ . 1 . 2]" 1
889 1 84 VAL HB 1 85 ASP H . . 4.320 3.735 1.926 4.347 0.027 10 0 "[ . 1 . 2]" 1
890 1 84 VAL QG 1 85 ASP H . . 4.140 2.995 2.113 3.706 . 0 0 "[ . 1 . 2]" 1
891 1 84 VAL MG1 1 85 ASP H . . 4.890 3.665 2.553 4.354 . 0 0 "[ . 1 . 2]" 1
892 1 84 VAL MG2 1 85 ASP H . . 4.890 3.529 2.121 4.355 . 0 0 "[ . 1 . 2]" 1
893 1 85 ASP H 1 85 ASP QB . . 3.390 2.488 2.173 3.046 . 0 0 "[ . 1 . 2]" 1
894 1 85 ASP HA 1 86 GLU H . . 3.140 2.451 2.143 2.865 . 0 0 "[ . 1 . 2]" 1
895 1 85 ASP HA 1 87 VAL H . . 5.260 4.700 3.627 5.212 . 0 0 "[ . 1 . 2]" 1
896 1 85 ASP HB2 1 86 GLU H . . 4.530 3.610 2.102 4.531 0.001 5 0 "[ . 1 . 2]" 1
897 1 85 ASP HB3 1 86 GLU H . . 4.530 3.632 2.273 4.569 0.039 5 0 "[ . 1 . 2]" 1
898 1 86 GLU H 1 86 GLU QB . . 3.320 2.671 2.264 3.220 . 0 0 "[ . 1 . 2]" 1
899 1 86 GLU H 1 87 VAL QG . . 4.490 3.846 2.940 4.444 . 0 0 "[ . 1 . 2]" 1
900 1 86 GLU HA 1 87 VAL H . . 3.000 2.479 2.215 2.779 . 0 0 "[ . 1 . 2]" 1
901 1 87 VAL H 1 87 VAL HB . . 3.380 2.888 2.512 3.599 0.219 8 0 "[ . 1 . 2]" 1
902 1 87 VAL H 1 87 VAL QG . . 3.550 2.266 1.852 2.627 . 0 0 "[ . 1 . 2]" 1
903 1 87 VAL HA 1 87 VAL QG . . 2.830 2.124 2.036 2.322 . 0 0 "[ . 1 . 2]" 1
904 1 87 VAL HA 1 88 VAL H . . 2.970 2.232 2.140 2.450 . 0 0 "[ . 1 . 2]" 1
905 1 88 VAL H 1 88 VAL HB . . 3.430 2.849 2.490 3.598 0.168 12 0 "[ . 1 . 2]" 1
906 1 88 VAL H 1 88 VAL MG1 . . 4.250 2.768 1.933 3.924 . 0 0 "[ . 1 . 2]" 1
907 1 88 VAL H 1 88 VAL QG . . 3.720 2.292 1.928 2.869 . 0 0 "[ . 1 . 2]" 1
908 1 88 VAL H 1 88 VAL MG2 . . 4.250 3.343 2.009 4.027 . 0 0 "[ . 1 . 2]" 1
909 1 88 VAL QG 1 89 VAL H . . 3.950 2.399 2.011 3.104 . 0 0 "[ . 1 . 2]" 1
910 1 88 VAL QG 1 89 VAL HA . . 3.920 3.613 3.188 3.910 . 0 0 "[ . 1 . 2]" 1
911 1 88 VAL MG1 1 89 VAL H . . 4.850 3.354 2.207 3.942 . 0 0 "[ . 1 . 2]" 1
912 1 88 VAL MG2 1 89 VAL H . . 4.850 2.933 2.019 4.227 . 0 0 "[ . 1 . 2]" 1
913 1 89 VAL H 1 89 VAL HB . . 3.770 3.273 2.578 3.761 . 0 0 "[ . 1 . 2]" 1
914 1 89 VAL QG 1 90 THR H . . 5.440 2.776 1.945 3.564 . 0 0 "[ . 1 . 2]" 1
915 1 90 THR HA 1 90 THR HB . . 2.930 2.586 2.393 2.947 0.017 19 0 "[ . 1 . 2]" 1
916 1 92 TYR HA 1 93 THR H . . 2.810 2.265 2.152 2.407 . 0 0 "[ . 1 . 2]" 1
917 1 92 TYR HD1 1 93 THR H . . 3.660 3.594 2.765 4.465 0.805 20 4 "[ .* - 1 . *+]" 1
918 1 92 TYR HD2 1 93 THR H . . 4.550 3.657 2.676 4.527 . 0 0 "[ . 1 . 2]" 1
919 1 93 THR H 1 93 THR HG1 . . 3.620 3.003 2.087 3.719 0.099 1 0 "[ . 1 . 2]" 1
920 1 93 THR HA 1 93 THR MG . . 3.690 2.271 2.031 3.087 . 0 0 "[ . 1 . 2]" 1
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