NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390872 |
1oyi   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1oyi
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 492
_Distance_constraint_stats_list.Viol_count 993
_Distance_constraint_stats_list.Viol_total 1195.884
_Distance_constraint_stats_list.Viol_max 0.252
_Distance_constraint_stats_list.Viol_rms 0.0240
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0602
_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 13 ARG 1.029 0.167 7 0 "[ . 1 . 2]"
1 14 SER 0.137 0.133 8 0 "[ . 1 . 2]"
1 15 ASN 5.974 0.177 20 0 "[ . 1 . 2]"
1 16 ALA 0.069 0.022 14 0 "[ . 1 . 2]"
1 17 GLU 3.628 0.148 8 0 "[ . 1 . 2]"
1 18 ILE 1.035 0.098 7 0 "[ . 1 . 2]"
1 19 VAL 0.078 0.022 14 0 "[ . 1 . 2]"
1 20 CYS 0.934 0.178 2 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.913 0.148 2 0 "[ . 1 . 2]"
1 23 ILE 3.381 0.178 2 0 "[ . 1 . 2]"
1 24 LYS 3.159 0.178 10 0 "[ . 1 . 2]"
1 25 THR 1.625 0.095 8 0 "[ . 1 . 2]"
1 26 ILE 1.100 0.086 7 0 "[ . 1 . 2]"
1 27 GLY 2.234 0.178 11 0 "[ . 1 . 2]"
1 28 ILE 2.622 0.178 11 0 "[ . 1 . 2]"
1 29 GLU 6.263 0.206 20 0 "[ . 1 . 2]"
1 30 GLY 5.007 0.206 20 0 "[ . 1 . 2]"
1 31 ALA 1.255 0.102 4 0 "[ . 1 . 2]"
1 32 THR 1.671 0.112 16 0 "[ . 1 . 2]"
1 33 ALA 0.162 0.070 4 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.011 0.011 9 0 "[ . 1 . 2]"
1 37 THR 5.202 0.190 3 0 "[ . 1 . 2]"
1 38 ARG 7.277 0.190 3 0 "[ . 1 . 2]"
1 39 GLN 0.126 0.041 14 0 "[ . 1 . 2]"
1 40 LEU 1.992 0.183 11 0 "[ . 1 . 2]"
1 41 ASN 1.266 0.141 20 0 "[ . 1 . 2]"
1 42 MET 1.928 0.172 16 0 "[ . 1 . 2]"
1 43 GLU 0.715 0.130 14 0 "[ . 1 . 2]"
1 44 LYS 2.800 0.150 20 0 "[ . 1 . 2]"
1 45 ARG 0.888 0.097 10 0 "[ . 1 . 2]"
1 46 GLU 1.975 0.120 16 0 "[ . 1 . 2]"
1 47 VAL 1.893 0.198 5 0 "[ . 1 . 2]"
1 48 ASN 3.258 0.151 12 0 "[ . 1 . 2]"
1 49 LYS 0.390 0.075 18 0 "[ . 1 . 2]"
1 50 ALA 1.324 0.151 12 0 "[ . 1 . 2]"
1 51 LEU 0.261 0.077 9 0 "[ . 1 . 2]"
1 52 TYR 0.542 0.094 6 0 "[ . 1 . 2]"
1 53 ASP 0.246 0.094 6 0 "[ . 1 . 2]"
1 54 LEU 0.540 0.077 9 0 "[ . 1 . 2]"
1 55 GLN 1.398 0.146 9 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 2.136 0.146 9 0 "[ . 1 . 2]"
1 58 ALA 0.488 0.065 11 0 "[ . 1 . 2]"
1 59 MET 1.136 0.094 9 0 "[ . 1 . 2]"
1 60 VAL 2.695 0.252 18 0 "[ . 1 . 2]"
1 61 TYR 0.917 0.079 6 0 "[ . 1 . 2]"
1 62 SER 0.815 0.097 19 0 "[ . 1 . 2]"
1 63 SER 0.177 0.045 10 0 "[ . 1 . 2]"
1 64 ASP 0.119 0.052 18 0 "[ . 1 . 2]"
1 65 ASP 0.119 0.052 18 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PRO 0.425 0.051 20 0 "[ . 1 . 2]"
1 68 PRO 0.399 0.051 20 0 "[ . 1 . 2]"
1 69 ARG 0.042 0.025 18 0 "[ . 1 . 2]"
1 70 TRP 1.206 0.097 19 0 "[ . 1 . 2]"
1 71 PHE 5.822 0.133 14 0 "[ . 1 . 2]"
1 72 MET 0.280 0.066 13 0 "[ . 1 . 2]"
1 73 THR 2.153 0.252 18 0 "[ . 1 . 2]"
1 74 THR 0.170 0.063 19 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 13 ARG H 1 13 ARG HA . . 2.710 2.381 2.160 2.877 0.167 7 0 "[ . 1 . 2]" 1
2 1 13 ARG H 1 13 ARG QB . . 3.680 3.041 2.677 3.429 . 0 0 "[ . 1 . 2]" 1
3 1 13 ARG H 1 13 ARG HD2 . . 4.970 4.515 3.799 4.970 0.000 13 0 "[ . 1 . 2]" 1
4 1 13 ARG H 1 13 ARG QD . . 4.520 3.867 2.953 4.211 . 0 0 "[ . 1 . 2]" 1
5 1 13 ARG H 1 13 ARG HD3 . . 4.970 4.252 3.079 4.912 . 0 0 "[ . 1 . 2]" 1
6 1 13 ARG H 1 14 SER H . . 3.670 3.057 2.016 3.556 . 0 0 "[ . 1 . 2]" 1
7 1 13 ARG H 1 17 GLU H . . 4.040 4.042 3.701 4.166 0.126 8 0 "[ . 1 . 2]" 1
8 1 13 ARG HA 1 14 SER H . . 2.650 2.445 2.301 2.783 0.133 8 0 "[ . 1 . 2]" 1
9 1 13 ARG QB 1 13 ARG HD2 . . 3.830 2.686 2.060 3.328 . 0 0 "[ . 1 . 2]" 1
10 1 13 ARG QB 1 13 ARG QD . . 3.460 2.227 2.017 2.403 . 0 0 "[ . 1 . 2]" 1
11 1 13 ARG QB 1 13 ARG HD3 . . 3.830 2.805 2.049 3.451 . 0 0 "[ . 1 . 2]" 1
12 1 13 ARG QD 1 14 SER H . . 5.110 4.071 3.299 4.586 . 0 0 "[ . 1 . 2]" 1
13 1 14 SER H 1 14 SER QB . . 3.350 2.959 2.397 3.074 . 0 0 "[ . 1 . 2]" 1
14 1 14 SER H 1 15 ASN H . . 3.670 2.926 2.451 3.534 . 0 0 "[ . 1 . 2]" 1
15 1 14 SER H 1 17 GLU H . . 3.640 2.750 2.475 3.101 . 0 0 "[ . 1 . 2]" 1
16 1 14 SER H 1 17 GLU QB . . 3.830 3.163 2.963 3.318 . 0 0 "[ . 1 . 2]" 1
17 1 14 SER QB 1 15 ASN H . . 3.990 2.046 1.834 2.274 . 0 0 "[ . 1 . 2]" 1
18 1 15 ASN H 1 15 ASN HA . . 2.740 2.912 2.893 2.917 0.177 20 0 "[ . 1 . 2]" 1
19 1 15 ASN H 1 15 ASN HB2 . . 3.390 3.257 2.497 3.535 0.145 8 0 "[ . 1 . 2]" 1
20 1 15 ASN H 1 15 ASN HB3 . . 3.390 3.239 2.794 3.425 0.035 17 0 "[ . 1 . 2]" 1
21 1 15 ASN H 1 16 ALA H . . 2.990 2.041 1.873 2.233 . 0 0 "[ . 1 . 2]" 1
22 1 15 ASN H 1 16 ALA MB . . 5.380 3.549 3.421 3.753 . 0 0 "[ . 1 . 2]" 1
23 1 15 ASN H 1 17 GLU H . . 3.670 3.523 3.314 3.710 0.040 6 0 "[ . 1 . 2]" 1
24 1 15 ASN H 1 19 VAL QG . . 6.850 4.436 4.336 4.692 . 0 0 "[ . 1 . 2]" 1
25 1 15 ASN HA 1 18 ILE HB . . 3.170 2.545 2.062 2.822 . 0 0 "[ . 1 . 2]" 1
26 1 15 ASN HA 1 18 ILE MG . . 6.470 3.921 3.408 4.229 . 0 0 "[ . 1 . 2]" 1
27 1 15 ASN HA 1 19 VAL QG . . 6.350 3.395 3.223 3.567 . 0 0 "[ . 1 . 2]" 1
28 1 15 ASN QB 1 16 ALA H . . 4.030 2.906 2.353 3.332 . 0 0 "[ . 1 . 2]" 1
29 1 15 ASN HB2 1 16 ALA H . . 4.790 3.252 2.947 3.517 . 0 0 "[ . 1 . 2]" 1
30 1 15 ASN HB2 1 18 ILE HB . . 4.600 4.549 4.130 4.698 0.098 7 0 "[ . 1 . 2]" 1
31 1 15 ASN HB2 1 50 ALA MB . . 6.430 4.313 3.410 5.314 . 0 0 "[ . 1 . 2]" 1
32 1 15 ASN HB3 1 16 ALA H . . 4.790 3.661 2.395 4.256 . 0 0 "[ . 1 . 2]" 1
33 1 15 ASN HB3 1 18 ILE HB . . 4.600 4.560 4.274 4.689 0.089 7 0 "[ . 1 . 2]" 1
34 1 15 ASN HB3 1 50 ALA MB . . 6.430 4.753 4.045 5.351 . 0 0 "[ . 1 . 2]" 1
35 1 15 ASN QD 1 19 VAL QG . . 6.990 3.273 2.368 4.188 . 0 0 "[ . 1 . 2]" 1
36 1 15 ASN HD21 1 19 VAL MG1 . . 8.870 5.502 4.391 6.625 . 0 0 "[ . 1 . 2]" 1
37 1 15 ASN HD21 1 19 VAL MG2 . . 8.870 3.524 2.611 4.543 . 0 0 "[ . 1 . 2]" 1
38 1 15 ASN HD22 1 19 VAL MG1 . . 8.870 6.229 4.256 7.209 . 0 0 "[ . 1 . 2]" 1
39 1 15 ASN HD22 1 19 VAL MG2 . . 8.870 4.392 2.773 5.243 . 0 0 "[ . 1 . 2]" 1
40 1 16 ALA H 1 17 GLU H . . 3.210 2.882 2.672 3.049 . 0 0 "[ . 1 . 2]" 1
41 1 16 ALA HA 1 19 VAL HB . . 2.870 2.448 2.075 2.892 0.022 14 0 "[ . 1 . 2]" 1
42 1 16 ALA HA 1 54 LEU QD . . 6.020 2.571 1.992 3.381 . 0 0 "[ . 1 . 2]" 1
43 1 17 GLU H 1 18 ILE H . . 2.680 2.655 2.541 2.722 0.042 19 0 "[ . 1 . 2]" 1
44 1 17 GLU H 1 19 VAL H . . 4.260 3.900 3.703 4.270 0.010 2 0 "[ . 1 . 2]" 1
45 1 17 GLU HA 1 17 GLU HB2 . . 2.400 2.465 2.399 2.530 0.130 19 0 "[ . 1 . 2]" 1
46 1 17 GLU HA 1 17 GLU HB3 . . 2.400 2.475 2.413 2.548 0.148 8 0 "[ . 1 . 2]" 1
47 1 17 GLU HA 1 20 CYS QB . . 4.550 2.880 2.544 3.897 . 0 0 "[ . 1 . 2]" 1
48 1 17 GLU QB 1 18 ILE H . . 3.710 3.445 3.352 3.540 . 0 0 "[ . 1 . 2]" 1
49 1 18 ILE H 1 18 ILE HB . . 2.650 2.238 2.073 2.440 . 0 0 "[ . 1 . 2]" 1
50 1 18 ILE H 1 19 VAL H . . 3.640 2.488 2.381 2.633 . 0 0 "[ . 1 . 2]" 1
51 1 18 ILE HA 1 18 ILE QG . . 3.670 2.563 2.237 3.015 . 0 0 "[ . 1 . 2]" 1
52 1 18 ILE HA 1 21 GLU QB . . 4.860 2.323 1.990 2.736 . 0 0 "[ . 1 . 2]" 1
53 1 19 VAL H 1 19 VAL QG . . 3.930 1.980 1.845 2.424 . 0 0 "[ . 1 . 2]" 1
54 1 19 VAL HA 1 19 VAL MG1 . . 3.430 2.311 2.120 2.466 . 0 0 "[ . 1 . 2]" 1
55 1 19 VAL HA 1 19 VAL MG2 . . 3.430 2.465 2.261 2.547 . 0 0 "[ . 1 . 2]" 1
56 1 19 VAL HA 1 22 ALA MB . . 5.380 2.649 2.345 2.924 . 0 0 "[ . 1 . 2]" 1
57 1 19 VAL QG 1 20 CYS H . . 5.420 3.353 3.237 3.443 . 0 0 "[ . 1 . 2]" 1
58 1 19 VAL QG 1 21 GLU H . . 8.090 4.687 4.501 5.101 . 0 0 "[ . 1 . 2]" 1
59 1 19 VAL QG 1 22 ALA MB . . 6.700 3.441 3.263 3.630 . 0 0 "[ . 1 . 2]" 1
60 1 19 VAL QG 1 51 LEU QD . . 7.600 3.131 2.526 3.638 . 0 0 "[ . 1 . 2]" 1
61 1 19 VAL MG1 1 22 ALA MB . . 7.520 3.641 3.410 3.862 . 0 0 "[ . 1 . 2]" 1
62 1 19 VAL MG1 1 51 LEU MD1 . . 10.680 3.791 2.905 5.464 . 0 0 "[ . 1 . 2]" 1
63 1 19 VAL MG1 1 51 LEU MD2 . . 10.680 4.479 2.576 5.787 . 0 0 "[ . 1 . 2]" 1
64 1 19 VAL MG2 1 22 ALA MB . . 7.520 4.259 3.926 4.422 . 0 0 "[ . 1 . 2]" 1
65 1 19 VAL MG2 1 51 LEU MD1 . . 10.680 4.755 3.898 6.609 . 0 0 "[ . 1 . 2]" 1
66 1 19 VAL MG2 1 51 LEU MD2 . . 10.680 5.573 4.117 6.701 . 0 0 "[ . 1 . 2]" 1
67 1 20 CYS H 1 20 CYS HA . . 2.930 2.830 2.802 2.866 . 0 0 "[ . 1 . 2]" 1
68 1 20 CYS H 1 21 GLU H . . 3.140 2.494 2.323 2.824 . 0 0 "[ . 1 . 2]" 1
69 1 20 CYS HA 1 23 ILE H . . 4.260 3.589 3.268 3.711 . 0 0 "[ . 1 . 2]" 1
70 1 20 CYS HA 1 23 ILE HB . . 3.860 3.859 3.327 4.038 0.178 2 0 "[ . 1 . 2]" 1
71 1 20 CYS HA 1 23 ILE MD . . 5.230 4.083 3.750 4.273 . 0 0 "[ . 1 . 2]" 1
72 1 20 CYS HA 1 23 ILE MG . . 5.600 1.820 1.777 1.963 . 0 0 "[ . 1 . 2]" 1
73 1 20 CYS QB 1 21 GLU H . . 4.330 2.736 2.167 3.583 . 0 0 "[ . 1 . 2]" 1
74 1 20 CYS QB 1 23 ILE MG . . 6.660 3.528 3.116 3.702 . 0 0 "[ . 1 . 2]" 1
75 1 21 GLU H 1 21 GLU HA . . 2.870 2.767 2.638 2.806 . 0 0 "[ . 1 . 2]" 1
76 1 21 GLU H 1 21 GLU QB . . 3.740 2.069 2.000 2.193 . 0 0 "[ . 1 . 2]" 1
77 1 21 GLU QB 1 22 ALA H . . 3.280 2.913 2.626 3.044 . 0 0 "[ . 1 . 2]" 1
78 1 22 ALA H 1 23 ILE H . . 2.620 2.666 2.618 2.768 0.148 2 0 "[ . 1 . 2]" 1
79 1 23 ILE H 1 23 ILE HB . . 2.590 2.324 2.183 2.421 . 0 0 "[ . 1 . 2]" 1
80 1 23 ILE H 1 23 ILE HG12 . . 5.500 4.386 4.151 4.544 . 0 0 "[ . 1 . 2]" 1
81 1 23 ILE H 1 23 ILE QG . . 4.870 3.893 3.790 3.943 . 0 0 "[ . 1 . 2]" 1
82 1 23 ILE H 1 23 ILE HG13 . . 5.500 4.374 4.129 4.536 . 0 0 "[ . 1 . 2]" 1
83 1 23 ILE HA 1 23 ILE HB . . 2.400 2.465 2.410 2.563 0.163 19 0 "[ . 1 . 2]" 1
84 1 23 ILE HA 1 26 ILE H . . 3.730 3.488 3.255 3.688 . 0 0 "[ . 1 . 2]" 1
85 1 23 ILE HA 1 26 ILE HB . . 2.830 2.802 2.421 2.885 0.055 10 0 "[ . 1 . 2]" 1
86 1 23 ILE HA 1 26 ILE MD . . 4.730 2.549 1.769 4.036 . 0 0 "[ . 1 . 2]" 1
87 1 23 ILE HB 1 23 ILE MD . . 3.680 2.706 2.064 3.186 . 0 0 "[ . 1 . 2]" 1
88 1 23 ILE MD 1 72 MET H . . 5.130 2.968 2.370 3.657 . 0 0 "[ . 1 . 2]" 1
89 1 23 ILE MG 1 31 ALA MB . . 7.310 4.027 3.300 4.489 . 0 0 "[ . 1 . 2]" 1
90 1 23 ILE MG 1 72 MET H . . 6.530 4.905 4.365 5.264 . 0 0 "[ . 1 . 2]" 1
91 1 24 LYS H 1 24 LYS HA . . 2.710 2.833 2.780 2.888 0.178 10 0 "[ . 1 . 2]" 1
92 1 24 LYS H 1 25 THR H . . 2.800 2.621 2.342 2.788 . 0 0 "[ . 1 . 2]" 1
93 1 24 LYS H 1 26 ILE H . . 3.760 3.784 3.592 3.846 0.086 7 0 "[ . 1 . 2]" 1
94 1 24 LYS HA 1 24 LYS QD . . 4.330 3.522 2.471 3.927 . 0 0 "[ . 1 . 2]" 1
95 1 24 LYS HA 1 24 LYS QG . . 3.610 2.225 1.973 2.699 . 0 0 "[ . 1 . 2]" 1
96 1 24 LYS QB 1 25 THR H . . 4.140 2.546 2.342 2.727 . 0 0 "[ . 1 . 2]" 1
97 1 24 LYS QD 1 25 THR H . . 5.910 4.388 3.203 5.038 . 0 0 "[ . 1 . 2]" 1
98 1 25 THR H 1 25 THR HA . . 2.800 2.772 2.731 2.803 0.003 14 0 "[ . 1 . 2]" 1
99 1 25 THR H 1 25 THR HB . . 3.210 2.168 2.040 2.278 . 0 0 "[ . 1 . 2]" 1
100 1 25 THR H 1 25 THR MG . . 4.480 3.631 3.549 3.667 . 0 0 "[ . 1 . 2]" 1
101 1 25 THR HA 1 25 THR HB . . 2.960 3.033 3.001 3.055 0.095 8 0 "[ . 1 . 2]" 1
102 1 25 THR HB 1 26 ILE H . . 3.170 3.136 2.938 3.204 0.034 6 0 "[ . 1 . 2]" 1
103 1 26 ILE H 1 26 ILE HB . . 2.960 2.365 2.301 2.429 . 0 0 "[ . 1 . 2]" 1
104 1 26 ILE H 1 26 ILE HG12 . . 3.830 3.214 2.038 3.808 . 0 0 "[ . 1 . 2]" 1
105 1 26 ILE H 1 26 ILE QG . . 3.320 2.213 2.026 2.411 . 0 0 "[ . 1 . 2]" 1
106 1 26 ILE H 1 26 ILE HG13 . . 3.830 2.585 2.068 3.524 . 0 0 "[ . 1 . 2]" 1
107 1 26 ILE HB 1 27 GLY H . . 3.020 1.951 1.895 2.035 . 0 0 "[ . 1 . 2]" 1
108 1 26 ILE QG 1 27 GLY H . . 4.550 3.891 3.777 3.953 . 0 0 "[ . 1 . 2]" 1
109 1 26 ILE MG 1 27 GLY H . . 4.480 1.965 1.854 2.123 . 0 0 "[ . 1 . 2]" 1
110 1 26 ILE MG 1 30 GLY H . . 4.230 2.025 1.862 2.392 . 0 0 "[ . 1 . 2]" 1
111 1 27 GLY H 1 27 GLY HA2 . . 2.900 2.593 2.524 2.671 . 0 0 "[ . 1 . 2]" 1
112 1 27 GLY H 1 27 GLY QA . . 2.650 2.430 2.390 2.469 . 0 0 "[ . 1 . 2]" 1
113 1 27 GLY H 1 27 GLY HA3 . . 2.900 2.936 2.906 2.956 0.056 18 0 "[ . 1 . 2]" 1
114 1 27 GLY H 1 28 ILE H . . 3.210 3.286 3.248 3.388 0.178 11 0 "[ . 1 . 2]" 1
115 1 27 GLY QA 1 28 ILE H . . 3.160 2.457 2.387 2.521 . 0 0 "[ . 1 . 2]" 1
116 1 27 GLY QA 1 28 ILE MG . . 4.300 2.921 2.833 2.970 . 0 0 "[ . 1 . 2]" 1
117 1 28 ILE H 1 28 ILE QG . . 4.760 2.658 2.539 3.607 . 0 0 "[ . 1 . 2]" 1
118 1 28 ILE H 1 28 ILE MG . . 4.300 2.278 2.126 2.441 . 0 0 "[ . 1 . 2]" 1
119 1 28 ILE HA 1 71 PHE HD1 . . 5.500 5.547 5.512 5.580 0.080 14 0 "[ . 1 . 2]" 1
120 1 28 ILE HA 1 71 PHE HZ . . 3.760 3.695 3.096 3.812 0.052 11 0 "[ . 1 . 2]" 1
121 1 28 ILE QG 1 29 GLU H . . 4.520 2.417 2.136 3.244 . 0 0 "[ . 1 . 2]" 1
122 1 28 ILE MG 1 29 GLU H . . 4.450 3.571 3.340 3.659 . 0 0 "[ . 1 . 2]" 1
123 1 29 GLU H 1 29 GLU HA . . 2.650 2.784 2.769 2.798 0.148 8 0 "[ . 1 . 2]" 1
124 1 29 GLU H 1 30 GLY H . . 2.870 2.660 2.645 2.679 . 0 0 "[ . 1 . 2]" 1
125 1 29 GLU H 1 30 GLY HA2 . . 5.500 4.848 4.812 4.885 . 0 0 "[ . 1 . 2]" 1
126 1 29 GLU H 1 30 GLY QA . . 4.840 4.450 4.428 4.472 . 0 0 "[ . 1 . 2]" 1
127 1 29 GLU H 1 30 GLY HA3 . . 5.500 5.180 5.172 5.194 . 0 0 "[ . 1 . 2]" 1
128 1 29 GLU HA 1 30 GLY H . . 3.210 3.389 3.354 3.416 0.206 20 0 "[ . 1 . 2]" 1
129 1 29 GLU QG 1 30 GLY H . . 6.190 4.613 3.980 4.793 . 0 0 "[ . 1 . 2]" 1
130 1 29 GLU QG 1 32 THR H . . 6.380 5.306 4.401 5.756 . 0 0 "[ . 1 . 2]" 1
131 1 30 GLY H 1 31 ALA H . . 5.100 4.669 4.663 4.672 . 0 0 "[ . 1 . 2]" 1
132 1 30 GLY H 1 71 PHE HD1 . . 4.630 4.220 4.128 4.383 . 0 0 "[ . 1 . 2]" 1
133 1 30 GLY H 1 71 PHE HZ . . 4.350 4.342 4.232 4.402 0.052 4 0 "[ . 1 . 2]" 1
134 1 30 GLY QA 1 31 ALA H . . 2.620 2.262 2.248 2.268 . 0 0 "[ . 1 . 2]" 1
135 1 30 GLY QA 1 71 PHE HE1 . . 3.740 1.983 1.973 2.016 . 0 0 "[ . 1 . 2]" 1
136 1 30 GLY HA2 1 31 ALA H . . 2.870 2.932 2.917 2.972 0.102 4 0 "[ . 1 . 2]" 1
137 1 30 GLY HA3 1 31 ALA H . . 2.870 2.354 2.327 2.365 . 0 0 "[ . 1 . 2]" 1
138 1 31 ALA H 1 32 THR HB . . 5.500 4.971 4.680 5.255 . 0 0 "[ . 1 . 2]" 1
139 1 31 ALA H 1 70 TRP H . . 3.210 2.844 2.633 3.043 . 0 0 "[ . 1 . 2]" 1
140 1 31 ALA H 1 70 TRP QB . . 5.820 3.215 3.013 3.556 . 0 0 "[ . 1 . 2]" 1
141 1 31 ALA H 1 71 PHE HD1 . . 5.500 2.977 2.884 3.063 . 0 0 "[ . 1 . 2]" 1
142 1 31 ALA H 1 71 PHE HE1 . . 3.950 3.875 3.693 3.961 0.011 10 0 "[ . 1 . 2]" 1
143 1 31 ALA MB 1 36 LEU QD . . 8.290 1.845 1.617 2.337 . 0 0 "[ . 1 . 2]" 1
144 1 31 ALA MB 1 36 LEU HG . . 5.100 3.576 2.246 4.036 . 0 0 "[ . 1 . 2]" 1
145 1 32 THR H 1 32 THR HB . . 2.620 2.318 2.030 2.626 0.006 4 0 "[ . 1 . 2]" 1
146 1 32 THR H 1 32 THR MG . . 3.950 2.497 2.197 3.178 . 0 0 "[ . 1 . 2]" 1
147 1 32 THR H 1 33 ALA H . . 5.250 4.468 3.682 4.628 . 0 0 "[ . 1 . 2]" 1
148 1 32 THR H 1 71 PHE HE1 . . 5.500 5.565 5.529 5.612 0.112 16 0 "[ . 1 . 2]" 1
149 1 32 THR HA 1 32 THR MG . . 3.640 3.168 2.965 3.226 . 0 0 "[ . 1 . 2]" 1
150 1 32 THR HA 1 33 ALA H . . 3.450 2.622 2.297 2.981 . 0 0 "[ . 1 . 2]" 1
151 1 32 THR HA 1 69 ARG HA . . 2.930 2.030 1.967 2.191 . 0 0 "[ . 1 . 2]" 1
152 1 32 THR HA 1 70 TRP H . . 3.450 2.805 2.502 3.031 . 0 0 "[ . 1 . 2]" 1
153 1 32 THR HA 1 70 TRP HD1 . . 4.010 2.847 2.580 3.060 . 0 0 "[ . 1 . 2]" 1
154 1 32 THR HA 1 70 TRP HE1 . . 4.690 4.684 4.531 4.758 0.068 4 0 "[ . 1 . 2]" 1
155 1 32 THR HB 1 33 ALA H . . 4.660 3.924 3.503 4.730 0.070 4 0 "[ . 1 . 2]" 1
156 1 32 THR MG 1 33 ALA H . . 5.320 2.525 1.902 4.070 . 0 0 "[ . 1 . 2]" 1
157 1 32 THR MG 1 35 GLN HB2 . . 6.530 2.248 1.947 3.701 . 0 0 "[ . 1 . 2]" 1
158 1 32 THR MG 1 35 GLN QB . . 5.860 2.223 1.902 3.629 . 0 0 "[ . 1 . 2]" 1
159 1 32 THR MG 1 35 GLN HB3 . . 6.530 3.682 2.492 5.227 . 0 0 "[ . 1 . 2]" 1
160 1 32 THR MG 1 35 GLN HG2 . . 6.530 3.569 2.054 4.898 . 0 0 "[ . 1 . 2]" 1
161 1 32 THR MG 1 35 GLN HG3 . . 6.530 3.144 2.011 4.888 . 0 0 "[ . 1 . 2]" 1
162 1 33 ALA H 1 34 ALA H . . 4.110 3.058 2.566 3.979 . 0 0 "[ . 1 . 2]" 1
163 1 33 ALA H 1 70 TRP HD1 . . 4.660 4.245 2.449 4.697 0.037 6 0 "[ . 1 . 2]" 1
164 1 33 ALA HA 1 36 LEU QB . . 4.550 3.104 2.052 3.763 . 0 0 "[ . 1 . 2]" 1
165 1 33 ALA HA 1 36 LEU MD1 . . 6.530 3.679 2.662 4.715 . 0 0 "[ . 1 . 2]" 1
166 1 33 ALA HA 1 36 LEU MD2 . . 6.530 4.458 3.443 5.187 . 0 0 "[ . 1 . 2]" 1
167 1 33 ALA HA 1 51 LEU QD . . 8.100 3.722 3.325 4.052 . 0 0 "[ . 1 . 2]" 1
168 1 33 ALA MB 1 51 LEU QD . . 7.540 4.095 3.688 4.430 . 0 0 "[ . 1 . 2]" 1
169 1 34 ALA H 1 35 GLN H . . 3.390 3.094 2.914 3.242 . 0 0 "[ . 1 . 2]" 1
170 1 34 ALA HA 1 37 THR HB . . 2.590 2.183 1.980 2.572 . 0 0 "[ . 1 . 2]" 1
171 1 34 ALA HA 1 37 THR MG . . 5.570 3.425 2.914 3.937 . 0 0 "[ . 1 . 2]" 1
172 1 34 ALA MB 1 36 LEU H . . 6.530 4.876 4.257 5.238 . 0 0 "[ . 1 . 2]" 1
173 1 34 ALA MB 1 37 THR H . . 6.530 4.587 4.282 4.897 . 0 0 "[ . 1 . 2]" 1
174 1 34 ALA MB 1 37 THR HB . . 6.190 3.781 3.578 4.132 . 0 0 "[ . 1 . 2]" 1
175 1 35 GLN H 1 35 GLN QE . . 5.810 4.914 4.314 5.133 . 0 0 "[ . 1 . 2]" 1
176 1 35 GLN QB 1 36 LEU H . . 4.300 2.286 1.929 2.793 . 0 0 "[ . 1 . 2]" 1
177 1 35 GLN QB 1 37 THR H . . 4.640 4.294 4.247 4.357 . 0 0 "[ . 1 . 2]" 1
178 1 35 GLN QE 1 36 LEU HG . . 6.370 5.377 4.987 5.711 . 0 0 "[ . 1 . 2]" 1
179 1 36 LEU H 1 37 THR H . . 3.170 2.817 2.565 3.027 . 0 0 "[ . 1 . 2]" 1
180 1 36 LEU HA 1 36 LEU MD1 . . 4.330 2.935 2.655 3.760 . 0 0 "[ . 1 . 2]" 1
181 1 36 LEU HA 1 36 LEU QD . . 3.570 2.692 2.475 2.876 . 0 0 "[ . 1 . 2]" 1
182 1 36 LEU HA 1 36 LEU MD2 . . 4.330 3.513 2.515 3.734 . 0 0 "[ . 1 . 2]" 1
183 1 36 LEU HA 1 39 GLN HB2 . . 4.070 2.492 1.957 3.606 . 0 0 "[ . 1 . 2]" 1
184 1 36 LEU HA 1 39 GLN QB . . 3.590 2.419 1.949 3.307 . 0 0 "[ . 1 . 2]" 1
185 1 36 LEU HA 1 39 GLN HB3 . . 4.070 3.724 3.473 4.081 0.011 9 0 "[ . 1 . 2]" 1
186 1 36 LEU QD 1 40 LEU QB . . 8.970 5.474 4.946 5.937 . 0 0 "[ . 1 . 2]" 1
187 1 36 LEU MD1 1 70 TRP HE1 . . 6.530 4.892 3.340 5.345 . 0 0 "[ . 1 . 2]" 1
188 1 36 LEU MD2 1 70 TRP HE1 . . 6.530 5.104 4.032 5.344 . 0 0 "[ . 1 . 2]" 1
189 1 36 LEU HG 1 39 GLN QB . . 5.850 3.860 3.086 4.690 . 0 0 "[ . 1 . 2]" 1
190 1 37 THR H 1 37 THR HB . . 3.140 2.524 2.367 2.763 . 0 0 "[ . 1 . 2]" 1
191 1 37 THR H 1 38 ARG H . . 3.390 2.528 1.932 2.891 . 0 0 "[ . 1 . 2]" 1
192 1 37 THR HA 1 38 ARG H . . 3.330 3.482 3.422 3.520 0.190 3 0 "[ . 1 . 2]" 1
193 1 37 THR HA 1 40 LEU H . . 3.860 3.817 3.697 3.941 0.081 11 0 "[ . 1 . 2]" 1
194 1 37 THR HA 1 40 LEU HG . . 3.890 2.662 2.486 2.780 . 0 0 "[ . 1 . 2]" 1
195 1 37 THR HA 1 41 ASN H . . 5.500 3.387 2.898 4.470 . 0 0 "[ . 1 . 2]" 1
196 1 37 THR HA 1 42 MET H . . 3.640 3.606 2.854 3.812 0.172 16 0 "[ . 1 . 2]" 1
197 1 37 THR HB 1 40 LEU HG . . 5.500 5.444 5.306 5.539 0.039 18 0 "[ . 1 . 2]" 1
198 1 37 THR MG 1 38 ARG H . . 4.920 4.048 3.771 4.162 . 0 0 "[ . 1 . 2]" 1
199 1 37 THR MG 1 44 LYS HB2 . . 6.500 3.932 3.675 4.748 . 0 0 "[ . 1 . 2]" 1
200 1 37 THR MG 1 44 LYS QB . . 6.160 3.812 3.599 4.395 . 0 0 "[ . 1 . 2]" 1
201 1 37 THR MG 1 44 LYS HB3 . . 6.500 5.185 5.009 5.369 . 0 0 "[ . 1 . 2]" 1
202 1 38 ARG H 1 38 ARG HA . . 2.740 2.878 2.865 2.898 0.158 15 0 "[ . 1 . 2]" 1
203 1 38 ARG H 1 38 ARG QB . . 3.870 2.185 2.094 2.362 . 0 0 "[ . 1 . 2]" 1
204 1 38 ARG H 1 38 ARG QD . . 6.130 4.259 3.084 4.879 . 0 0 "[ . 1 . 2]" 1
205 1 38 ARG H 1 39 GLN H . . 2.740 2.245 2.066 2.425 . 0 0 "[ . 1 . 2]" 1
206 1 38 ARG H 1 40 LEU H . . 3.610 3.683 3.593 3.793 0.183 11 0 "[ . 1 . 2]" 1
207 1 38 ARG HA 1 38 ARG QG . . 3.370 2.118 1.977 2.411 . 0 0 "[ . 1 . 2]" 1
208 1 39 GLN H 1 39 GLN HA . . 2.800 2.739 2.697 2.793 . 0 0 "[ . 1 . 2]" 1
209 1 39 GLN H 1 39 GLN QB . . 3.280 2.064 1.998 2.207 . 0 0 "[ . 1 . 2]" 1
210 1 39 GLN H 1 39 GLN QE . . 3.270 2.557 2.093 2.957 . 0 0 "[ . 1 . 2]" 1
211 1 39 GLN H 1 40 LEU H . . 2.800 2.714 2.569 2.818 0.018 6 0 "[ . 1 . 2]" 1
212 1 39 GLN QB 1 40 LEU H . . 3.240 2.972 2.822 3.010 . 0 0 "[ . 1 . 2]" 1
213 1 39 GLN HB2 1 40 LEU H . . 3.610 3.324 3.058 3.621 0.011 12 0 "[ . 1 . 2]" 1
214 1 39 GLN HB3 1 40 LEU H . . 3.610 3.417 2.943 3.651 0.041 14 0 "[ . 1 . 2]" 1
215 1 39 GLN QE 1 40 LEU QD . . 7.910 4.214 3.644 4.564 . 0 0 "[ . 1 . 2]" 1
216 1 39 GLN QG 1 40 LEU QD . . 8.970 3.900 3.540 4.083 . 0 0 "[ . 1 . 2]" 1
217 1 40 LEU H 1 41 ASN QB . . 6.380 4.998 4.768 5.313 . 0 0 "[ . 1 . 2]" 1
218 1 40 LEU QB 1 41 ASN QD . . 6.160 4.425 4.085 4.577 . 0 0 "[ . 1 . 2]" 1
219 1 40 LEU QB 1 43 GLU H . . 4.050 3.335 3.077 3.564 . 0 0 "[ . 1 . 2]" 1
220 1 40 LEU HB2 1 41 ASN H . . 3.980 2.406 1.858 2.892 . 0 0 "[ . 1 . 2]" 1
221 1 40 LEU HB3 1 41 ASN H . . 3.980 3.674 3.384 3.917 . 0 0 "[ . 1 . 2]" 1
222 1 40 LEU QD 1 41 ASN H . . 8.100 2.720 2.291 2.885 . 0 0 "[ . 1 . 2]" 1
223 1 40 LEU QD 1 42 MET H . . 8.100 2.844 2.528 3.097 . 0 0 "[ . 1 . 2]" 1
224 1 40 LEU QD 1 42 MET QB . . 7.580 4.666 4.434 4.836 . 0 0 "[ . 1 . 2]" 1
225 1 40 LEU QD 1 42 MET QG . . 8.200 4.784 4.536 5.006 . 0 0 "[ . 1 . 2]" 1
226 1 40 LEU HG 1 41 ASN H . . 4.040 2.087 1.918 2.395 . 0 0 "[ . 1 . 2]" 1
227 1 40 LEU HG 1 41 ASN QD . . 6.370 5.347 5.278 5.418 . 0 0 "[ . 1 . 2]" 1
228 1 40 LEU HG 1 42 MET H . . 5.500 3.300 2.476 3.902 . 0 0 "[ . 1 . 2]" 1
229 1 41 ASN H 1 41 ASN HA . . 2.710 2.759 2.670 2.851 0.141 20 0 "[ . 1 . 2]" 1
230 1 41 ASN H 1 41 ASN HB2 . . 3.700 3.098 2.884 3.261 . 0 0 "[ . 1 . 2]" 1
231 1 41 ASN H 1 41 ASN QB . . 3.470 2.936 2.754 3.073 . 0 0 "[ . 1 . 2]" 1
232 1 41 ASN H 1 41 ASN HB3 . . 3.700 3.641 3.488 3.755 0.055 16 0 "[ . 1 . 2]" 1
233 1 41 ASN H 1 42 MET H . . 3.140 2.164 1.803 2.562 . 0 0 "[ . 1 . 2]" 1
234 1 41 ASN H 1 42 MET QG . . 6.380 4.993 3.975 5.695 . 0 0 "[ . 1 . 2]" 1
235 1 41 ASN HA 1 41 ASN HD21 . . 3.670 2.088 1.948 2.648 . 0 0 "[ . 1 . 2]" 1
236 1 41 ASN HA 1 41 ASN QD . . 2.980 2.062 1.931 2.572 . 0 0 "[ . 1 . 2]" 1
237 1 41 ASN HA 1 41 ASN HD22 . . 3.670 3.228 3.168 3.485 . 0 0 "[ . 1 . 2]" 1
238 1 41 ASN QB 1 42 MET H . . 3.890 2.798 2.348 3.764 . 0 0 "[ . 1 . 2]" 1
239 1 41 ASN HB2 1 42 MET H . . 4.230 3.287 2.856 4.262 0.032 11 0 "[ . 1 . 2]" 1
240 1 41 ASN HB3 1 42 MET H . . 4.230 3.041 2.483 4.205 . 0 0 "[ . 1 . 2]" 1
241 1 42 MET H 1 43 GLU H . . 3.360 2.042 1.860 2.589 . 0 0 "[ . 1 . 2]" 1
242 1 42 MET HA 1 43 GLU H . . 2.870 2.831 2.694 2.893 0.023 7 0 "[ . 1 . 2]" 1
243 1 43 GLU H 1 44 LYS H . . 3.450 3.472 3.402 3.580 0.130 14 0 "[ . 1 . 2]" 1
244 1 43 GLU HA 1 44 LYS H . . 3.270 2.633 2.482 2.726 . 0 0 "[ . 1 . 2]" 1
245 1 43 GLU QG 1 44 LYS H . . 5.540 4.449 4.210 4.920 . 0 0 "[ . 1 . 2]" 1
246 1 44 LYS H 1 44 LYS QB . . 3.550 2.183 2.132 2.331 . 0 0 "[ . 1 . 2]" 1
247 1 44 LYS H 1 47 VAL QG . . 8.090 3.726 3.289 4.350 . 0 0 "[ . 1 . 2]" 1
248 1 44 LYS HA 1 46 GLU H . . 4.450 4.451 4.175 4.570 0.120 16 0 "[ . 1 . 2]" 1
249 1 44 LYS HA 1 47 VAL H . . 3.240 3.217 3.038 3.390 0.150 20 0 "[ . 1 . 2]" 1
250 1 44 LYS HA 1 48 ASN H . . 3.550 3.600 3.559 3.660 0.110 4 0 "[ . 1 . 2]" 1
251 1 44 LYS QB 1 45 ARG H . . 3.620 3.109 2.992 3.234 . 0 0 "[ . 1 . 2]" 1
252 1 45 ARG H 1 45 ARG QD . . 5.910 3.825 2.012 4.650 . 0 0 "[ . 1 . 2]" 1
253 1 45 ARG H 1 46 GLU H . . 3.520 2.696 2.578 2.829 . 0 0 "[ . 1 . 2]" 1
254 1 45 ARG H 1 46 GLU QG . . 6.380 4.301 3.764 4.499 . 0 0 "[ . 1 . 2]" 1
255 1 45 ARG H 1 47 VAL H . . 3.790 3.830 3.743 3.887 0.097 10 0 "[ . 1 . 2]" 1
256 1 46 GLU H 1 46 GLU QB . . 3.490 2.362 2.236 2.759 . 0 0 "[ . 1 . 2]" 1
257 1 46 GLU H 1 46 GLU QG . . 3.710 2.374 1.875 2.548 . 0 0 "[ . 1 . 2]" 1
258 1 46 GLU H 1 47 VAL H . . 3.170 2.446 2.372 2.539 . 0 0 "[ . 1 . 2]" 1
259 1 46 GLU H 1 47 VAL QG . . 6.540 3.954 3.233 4.513 . 0 0 "[ . 1 . 2]" 1
260 1 46 GLU H 1 48 ASN H . . 3.700 3.751 3.671 3.808 0.108 16 0 "[ . 1 . 2]" 1
261 1 46 GLU QG 1 47 VAL H . . 3.740 2.158 1.890 3.664 . 0 0 "[ . 1 . 2]" 1
262 1 47 VAL H 1 47 VAL QG . . 4.130 2.391 1.813 2.825 . 0 0 "[ . 1 . 2]" 1
263 1 47 VAL H 1 48 ASN H . . 2.930 2.490 2.379 2.575 . 0 0 "[ . 1 . 2]" 1
264 1 47 VAL HA 1 47 VAL HB . . 2.710 2.571 2.275 2.908 0.198 5 0 "[ . 1 . 2]" 1
265 1 47 VAL HA 1 50 ALA H . . 3.550 3.490 3.314 3.591 0.041 1 0 "[ . 1 . 2]" 1
266 1 47 VAL HA 1 50 ALA MB . . 5.070 2.309 2.070 2.518 . 0 0 "[ . 1 . 2]" 1
267 1 47 VAL QG 1 48 ASN H . . 6.170 2.395 2.201 2.966 . 0 0 "[ . 1 . 2]" 1
268 1 47 VAL QG 1 48 ASN HA . . 7.070 3.016 2.958 3.085 . 0 0 "[ . 1 . 2]" 1
269 1 47 VAL QG 1 50 ALA H . . 6.230 4.370 4.289 4.490 . 0 0 "[ . 1 . 2]" 1
270 1 47 VAL QG 1 51 LEU QD . . 8.980 1.997 1.724 2.378 . 0 0 "[ . 1 . 2]" 1
271 1 47 VAL MG1 1 51 LEU MD1 . . 10.680 3.455 1.735 4.756 . 0 0 "[ . 1 . 2]" 1
272 1 47 VAL MG1 1 51 LEU MD2 . . 10.680 3.490 1.982 5.491 . 0 0 "[ . 1 . 2]" 1
273 1 47 VAL MG2 1 51 LEU MD1 . . 10.680 2.814 1.944 4.257 . 0 0 "[ . 1 . 2]" 1
274 1 47 VAL MG2 1 51 LEU MD2 . . 10.680 3.059 1.965 4.349 . 0 0 "[ . 1 . 2]" 1
275 1 48 ASN H 1 49 LYS H . . 3.640 2.586 2.391 2.730 . 0 0 "[ . 1 . 2]" 1
276 1 48 ASN H 1 50 ALA H . . 3.520 3.577 3.489 3.671 0.151 12 0 "[ . 1 . 2]" 1
277 1 48 ASN HA 1 51 LEU QB . . 3.280 2.543 2.315 2.652 . 0 0 "[ . 1 . 2]" 1
278 1 48 ASN HA 1 51 LEU QD . . 6.610 3.115 2.717 3.620 . 0 0 "[ . 1 . 2]" 1
279 1 48 ASN QB 1 49 LYS H . . 4.450 2.335 2.218 2.462 . 0 0 "[ . 1 . 2]" 1
280 1 49 LYS H 1 49 LYS HA . . 2.930 2.784 2.750 2.826 . 0 0 "[ . 1 . 2]" 1
281 1 49 LYS H 1 49 LYS QG . . 4.980 3.397 2.008 3.998 . 0 0 "[ . 1 . 2]" 1
282 1 49 LYS HA 1 52 TYR HB2 . . 3.890 2.993 2.409 3.791 . 0 0 "[ . 1 . 2]" 1
283 1 49 LYS HA 1 52 TYR QB . . 3.660 2.415 2.151 2.741 . 0 0 "[ . 1 . 2]" 1
284 1 49 LYS HA 1 52 TYR HB3 . . 3.890 3.174 2.175 3.965 0.075 18 0 "[ . 1 . 2]" 1
285 1 49 LYS QB 1 50 ALA H . . 4.180 3.027 2.791 3.631 . 0 0 "[ . 1 . 2]" 1
286 1 49 LYS QG 1 50 ALA H . . 6.380 4.236 2.259 4.674 . 0 0 "[ . 1 . 2]" 1
287 1 50 ALA H 1 51 LEU H . . 3.390 2.557 2.401 2.766 . 0 0 "[ . 1 . 2]" 1
288 1 50 ALA H 1 51 LEU QD . . 6.700 4.232 3.799 4.907 . 0 0 "[ . 1 . 2]" 1
289 1 50 ALA HA 1 51 LEU QB . . 6.380 5.338 5.291 5.424 . 0 0 "[ . 1 . 2]" 1
290 1 50 ALA HA 1 51 LEU QD . . 7.170 4.787 4.360 5.489 . 0 0 "[ . 1 . 2]" 1
291 1 50 ALA HA 1 53 ASP HB2 . . 3.670 3.117 2.671 3.415 . 0 0 "[ . 1 . 2]" 1
292 1 50 ALA HA 1 53 ASP HB3 . . 3.670 3.509 3.239 3.685 0.015 20 0 "[ . 1 . 2]" 1
293 1 50 ALA MB 1 54 LEU HG . . 4.700 3.554 3.103 3.675 . 0 0 "[ . 1 . 2]" 1
294 1 51 LEU H 1 52 TYR H . . 3.450 2.712 2.451 3.012 . 0 0 "[ . 1 . 2]" 1
295 1 51 LEU H 1 53 ASP H . . 4.880 4.594 4.154 4.929 0.049 9 0 "[ . 1 . 2]" 1
296 1 51 LEU HA 1 54 LEU H . . 3.860 3.735 3.341 3.890 0.030 16 0 "[ . 1 . 2]" 1
297 1 51 LEU HA 1 54 LEU HB2 . . 4.200 2.653 2.359 2.813 . 0 0 "[ . 1 . 2]" 1
298 1 51 LEU HA 1 54 LEU QB . . 3.710 2.623 2.340 2.769 . 0 0 "[ . 1 . 2]" 1
299 1 51 LEU HA 1 54 LEU HB3 . . 4.200 4.145 3.885 4.277 0.077 9 0 "[ . 1 . 2]" 1
300 1 51 LEU HA 1 54 LEU QD . . 6.520 3.306 2.905 3.616 . 0 0 "[ . 1 . 2]" 1
301 1 51 LEU QB 1 52 TYR H . . 4.420 2.784 2.361 2.970 . 0 0 "[ . 1 . 2]" 1
302 1 51 LEU QD 1 52 TYR H . . 6.860 4.059 3.815 4.339 . 0 0 "[ . 1 . 2]" 1
303 1 51 LEU QD 1 54 LEU QD . . 8.400 3.143 2.731 3.419 . 0 0 "[ . 1 . 2]" 1
304 1 51 LEU QD 1 70 TRP HE1 . . 6.450 2.143 1.819 2.931 . 0 0 "[ . 1 . 2]" 1
305 1 52 TYR H 1 52 TYR HA . . 2.870 2.799 2.663 2.840 . 0 0 "[ . 1 . 2]" 1
306 1 52 TYR H 1 52 TYR QD . . 3.950 3.314 1.936 3.973 0.023 12 0 "[ . 1 . 2]" 1
307 1 52 TYR H 1 53 ASP H . . 3.330 2.859 2.628 3.220 . 0 0 "[ . 1 . 2]" 1
308 1 52 TYR HA 1 52 TYR QD . . 4.480 2.673 1.925 3.237 . 0 0 "[ . 1 . 2]" 1
309 1 52 TYR HA 1 55 GLN HB2 . . 3.670 2.912 2.208 3.381 . 0 0 "[ . 1 . 2]" 1
310 1 52 TYR HA 1 55 GLN QB . . 3.470 2.383 2.162 2.633 . 0 0 "[ . 1 . 2]" 1
311 1 52 TYR HA 1 55 GLN HB3 . . 3.670 2.663 2.334 3.398 . 0 0 "[ . 1 . 2]" 1
312 1 52 TYR HB2 1 53 ASP H . . 4.760 2.959 2.067 3.982 . 0 0 "[ . 1 . 2]" 1
313 1 52 TYR HB3 1 53 ASP H . . 4.760 2.622 1.928 3.320 . 0 0 "[ . 1 . 2]" 1
314 1 52 TYR QD 1 53 ASP H . . 4.170 3.207 1.940 4.264 0.094 6 0 "[ . 1 . 2]" 1
315 1 53 ASP H 1 53 ASP HB2 . . 3.270 2.054 2.009 2.093 . 0 0 "[ . 1 . 2]" 1
316 1 53 ASP H 1 53 ASP QB . . 3.010 2.024 1.991 2.050 . 0 0 "[ . 1 . 2]" 1
317 1 53 ASP H 1 53 ASP HB3 . . 3.270 3.065 2.929 3.257 . 0 0 "[ . 1 . 2]" 1
318 1 53 ASP H 1 54 LEU H . . 3.170 2.882 2.535 3.025 . 0 0 "[ . 1 . 2]" 1
319 1 53 ASP H 1 54 LEU HG . . 5.500 5.015 4.624 5.297 . 0 0 "[ . 1 . 2]" 1
320 1 53 ASP HA 1 56 ARG QB . . 4.270 2.932 2.426 3.454 . 0 0 "[ . 1 . 2]" 1
321 1 53 ASP QB 1 54 LEU H . . 2.980 2.413 2.251 2.642 . 0 0 "[ . 1 . 2]" 1
322 1 53 ASP HB2 1 54 LEU H . . 3.360 3.264 2.810 3.391 0.031 20 0 "[ . 1 . 2]" 1
323 1 53 ASP HB3 1 54 LEU H . . 3.360 2.494 2.295 2.763 . 0 0 "[ . 1 . 2]" 1
324 1 54 LEU H 1 55 GLN H . . 2.740 2.676 2.500 2.772 0.032 11 0 "[ . 1 . 2]" 1
325 1 54 LEU HA 1 54 LEU QB . . 2.580 2.434 2.346 2.480 . 0 0 "[ . 1 . 2]" 1
326 1 54 LEU QB 1 59 MET QB . . 5.200 2.832 2.344 3.860 . 0 0 "[ . 1 . 2]" 1
327 1 54 LEU QB 1 60 VAL QG . . 5.890 1.851 1.690 2.008 . 0 0 "[ . 1 . 2]" 1
328 1 54 LEU HB2 1 59 MET HB2 . . 6.230 4.886 4.060 6.294 0.064 9 0 "[ . 1 . 2]" 1
329 1 54 LEU HB2 1 59 MET HB3 . . 6.230 5.769 4.562 6.247 0.017 11 0 "[ . 1 . 2]" 1
330 1 54 LEU HB2 1 60 VAL MG1 . . 8.030 3.822 3.068 5.148 . 0 0 "[ . 1 . 2]" 1
331 1 54 LEU HB2 1 60 VAL MG2 . . 8.030 2.834 2.267 3.132 . 0 0 "[ . 1 . 2]" 1
332 1 54 LEU HB3 1 59 MET HB2 . . 6.230 3.266 2.377 4.853 . 0 0 "[ . 1 . 2]" 1
333 1 54 LEU HB3 1 59 MET HB3 . . 6.230 4.156 2.936 4.679 . 0 0 "[ . 1 . 2]" 1
334 1 54 LEU HB3 1 60 VAL MG1 . . 8.030 2.654 1.976 4.448 . 0 0 "[ . 1 . 2]" 1
335 1 54 LEU HB3 1 60 VAL MG2 . . 8.030 2.006 1.777 2.567 . 0 0 "[ . 1 . 2]" 1
336 1 54 LEU QD 1 55 GLN HA . . 6.760 5.054 4.919 5.146 . 0 0 "[ . 1 . 2]" 1
337 1 54 LEU QD 1 58 ALA H . . 6.610 4.677 4.553 4.808 . 0 0 "[ . 1 . 2]" 1
338 1 54 LEU QD 1 59 MET QB . . 8.970 1.986 1.857 3.121 . 0 0 "[ . 1 . 2]" 1
339 1 54 LEU QD 1 59 MET QG . . 5.870 2.124 1.920 2.479 . 0 0 "[ . 1 . 2]" 1
340 1 55 GLN H 1 55 GLN HB2 . . 3.520 2.369 2.020 2.608 . 0 0 "[ . 1 . 2]" 1
341 1 55 GLN H 1 55 GLN QB . . 3.140 2.160 2.001 2.255 . 0 0 "[ . 1 . 2]" 1
342 1 55 GLN H 1 55 GLN HB3 . . 3.520 2.624 2.345 3.232 . 0 0 "[ . 1 . 2]" 1
343 1 55 GLN H 1 56 ARG H . . 3.270 2.761 2.355 2.933 . 0 0 "[ . 1 . 2]" 1
344 1 55 GLN H 1 57 SER H . . 3.670 3.736 3.682 3.816 0.146 9 0 "[ . 1 . 2]" 1
345 1 55 GLN HA 1 55 GLN QG . . 3.910 2.439 1.974 3.112 . 0 0 "[ . 1 . 2]" 1
346 1 55 GLN HA 1 60 VAL QG . . 6.970 3.136 2.542 4.068 . 0 0 "[ . 1 . 2]" 1
347 1 55 GLN QB 1 56 ARG H . . 3.870 2.556 2.339 2.889 . 0 0 "[ . 1 . 2]" 1
348 1 55 GLN QB 1 60 VAL QG . . 7.280 3.903 3.422 4.710 . 0 0 "[ . 1 . 2]" 1
349 1 55 GLN QB 1 70 TRP HH2 . . 4.970 2.610 2.110 3.316 . 0 0 "[ . 1 . 2]" 1
350 1 55 GLN QB 1 70 TRP HZ3 . . 4.960 2.285 1.978 3.108 . 0 0 "[ . 1 . 2]" 1
351 1 55 GLN HB2 1 60 VAL MG1 . . 8.970 6.251 5.660 6.561 . 0 0 "[ . 1 . 2]" 1
352 1 55 GLN HB2 1 60 VAL MG2 . . 8.970 4.133 3.570 5.291 . 0 0 "[ . 1 . 2]" 1
353 1 55 GLN HB2 1 70 TRP HH2 . . 5.500 2.654 2.125 3.403 . 0 0 "[ . 1 . 2]" 1
354 1 55 GLN HB2 1 70 TRP HZ3 . . 5.280 2.304 1.987 3.194 . 0 0 "[ . 1 . 2]" 1
355 1 55 GLN HB3 1 60 VAL MG1 . . 8.970 7.250 6.716 7.454 . 0 0 "[ . 1 . 2]" 1
356 1 55 GLN HB3 1 60 VAL MG2 . . 8.970 5.187 4.652 6.347 . 0 0 "[ . 1 . 2]" 1
357 1 55 GLN HB3 1 70 TRP HH2 . . 5.500 3.917 3.468 4.578 . 0 0 "[ . 1 . 2]" 1
358 1 55 GLN HB3 1 70 TRP HZ3 . . 5.280 3.919 3.529 4.324 . 0 0 "[ . 1 . 2]" 1
359 1 55 GLN QG 1 70 TRP HZ3 . . 4.270 2.924 1.864 3.841 . 0 0 "[ . 1 . 2]" 1
360 1 56 ARG H 1 56 ARG QD . . 5.970 2.146 1.827 2.700 . 0 0 "[ . 1 . 2]" 1
361 1 56 ARG H 1 56 ARG QG . . 4.420 3.248 1.905 3.715 . 0 0 "[ . 1 . 2]" 1
362 1 56 ARG H 1 57 SER H . . 3.270 2.479 2.291 2.756 . 0 0 "[ . 1 . 2]" 1
363 1 56 ARG QB 1 57 SER H . . 4.050 3.109 3.006 3.195 . 0 0 "[ . 1 . 2]" 1
364 1 56 ARG QD 1 57 SER H . . 5.040 4.185 3.966 4.356 . 0 0 "[ . 1 . 2]" 1
365 1 56 ARG QD 1 70 TRP HH2 . . 6.380 5.635 5.369 5.767 . 0 0 "[ . 1 . 2]" 1
366 1 57 SER H 1 57 SER QB . . 3.710 2.343 2.129 2.903 . 0 0 "[ . 1 . 2]" 1
367 1 57 SER H 1 58 ALA H . . 2.800 2.331 2.260 2.402 . 0 0 "[ . 1 . 2]" 1
368 1 57 SER H 1 59 MET H . . 3.730 3.771 3.727 3.824 0.094 9 0 "[ . 1 . 2]" 1
369 1 57 SER QB 1 58 ALA H . . 3.870 2.939 2.715 3.552 . 0 0 "[ . 1 . 2]" 1
370 1 57 SER QB 1 59 MET H . . 4.800 2.633 2.343 3.452 . 0 0 "[ . 1 . 2]" 1
371 1 57 SER QB 1 59 MET QG . . 5.110 2.367 1.696 4.245 . 0 0 "[ . 1 . 2]" 1
372 1 58 ALA H 1 58 ALA HA . . 2.740 2.244 2.227 2.261 . 0 0 "[ . 1 . 2]" 1
373 1 58 ALA H 1 59 MET H . . 2.400 2.308 2.212 2.439 0.039 16 0 "[ . 1 . 2]" 1
374 1 58 ALA H 1 60 VAL H . . 3.610 3.624 3.584 3.675 0.065 11 0 "[ . 1 . 2]" 1
375 1 58 ALA MB 1 59 MET H . . 4.260 3.600 3.456 3.698 . 0 0 "[ . 1 . 2]" 1
376 1 58 ALA MB 1 60 VAL H . . 5.600 4.512 4.374 4.749 . 0 0 "[ . 1 . 2]" 1
377 1 59 MET H 1 60 VAL H . . 3.110 2.432 2.187 2.660 . 0 0 "[ . 1 . 2]" 1
378 1 59 MET HA 1 59 MET HG2 . . 4.140 2.931 2.528 4.036 . 0 0 "[ . 1 . 2]" 1
379 1 59 MET HA 1 59 MET HG3 . . 4.140 3.684 3.291 3.826 . 0 0 "[ . 1 . 2]" 1
380 1 59 MET QB 1 60 VAL H . . 3.990 3.078 2.781 3.715 . 0 0 "[ . 1 . 2]" 1
381 1 59 MET QB 1 60 VAL QG . . 6.890 2.518 2.154 3.176 . 0 0 "[ . 1 . 2]" 1
382 1 59 MET HB2 1 60 VAL MG1 . . 8.660 3.216 2.324 4.982 . 0 0 "[ . 1 . 2]" 1
383 1 59 MET HB2 1 60 VAL MG2 . . 8.660 3.760 2.200 5.322 . 0 0 "[ . 1 . 2]" 1
384 1 59 MET HB3 1 60 VAL MG1 . . 8.660 3.469 2.522 5.443 . 0 0 "[ . 1 . 2]" 1
385 1 59 MET HB3 1 60 VAL MG2 . . 8.660 4.394 3.113 5.007 . 0 0 "[ . 1 . 2]" 1
386 1 59 MET QG 1 60 VAL H . . 4.420 3.881 2.233 4.055 . 0 0 "[ . 1 . 2]" 1
387 1 60 VAL H 1 61 TYR H . . 4.540 4.388 4.199 4.469 . 0 0 "[ . 1 . 2]" 1
388 1 60 VAL HA 1 61 TYR H . . 3.330 2.565 2.406 2.951 . 0 0 "[ . 1 . 2]" 1
389 1 60 VAL HA 1 72 MET HA . . 2.930 2.867 2.495 2.996 0.066 13 0 "[ . 1 . 2]" 1
390 1 60 VAL HA 1 73 THR H . . 3.300 3.395 3.325 3.552 0.252 18 0 "[ . 1 . 2]" 1
391 1 60 VAL HB 1 61 TYR H . . 3.170 2.472 1.936 3.249 0.079 6 0 "[ . 1 . 2]" 1
392 1 60 VAL HB 1 70 TRP HE3 . . 4.540 3.178 2.533 3.569 . 0 0 "[ . 1 . 2]" 1
393 1 60 VAL HB 1 72 MET HA . . 5.500 4.298 3.690 5.412 . 0 0 "[ . 1 . 2]" 1
394 1 60 VAL QG 1 61 TYR HA . . 8.090 3.605 3.006 4.101 . 0 0 "[ . 1 . 2]" 1
395 1 60 VAL QG 1 70 TRP HE3 . . 4.230 1.978 1.756 2.933 . 0 0 "[ . 1 . 2]" 1
396 1 60 VAL QG 1 70 TRP HZ3 . . 6.290 2.936 2.471 4.443 . 0 0 "[ . 1 . 2]" 1
397 1 60 VAL QG 1 72 MET HA . . 6.630 3.835 2.977 4.147 . 0 0 "[ . 1 . 2]" 1
398 1 60 VAL MG1 1 70 TRP HE3 . . 4.980 4.009 2.829 4.209 . 0 0 "[ . 1 . 2]" 1
399 1 60 VAL MG2 1 70 TRP HE3 . . 4.980 2.096 1.758 4.097 . 0 0 "[ . 1 . 2]" 1
400 1 61 TYR H 1 61 TYR QB . . 3.770 2.355 2.228 2.822 . 0 0 "[ . 1 . 2]" 1
401 1 61 TYR H 1 62 SER H . . 4.790 4.353 4.321 4.449 . 0 0 "[ . 1 . 2]" 1
402 1 61 TYR H 1 71 PHE H . . 2.990 2.989 2.765 3.047 0.057 1 0 "[ . 1 . 2]" 1
403 1 61 TYR H 1 73 THR H . . 3.700 3.288 3.007 3.719 0.019 19 0 "[ . 1 . 2]" 1
404 1 61 TYR HA 1 62 SER H . . 2.800 2.748 2.510 2.813 0.013 1 0 "[ . 1 . 2]" 1
405 1 61 TYR HA 1 70 TRP HE3 . . 5.500 4.398 3.980 4.864 . 0 0 "[ . 1 . 2]" 1
406 1 61 TYR HA 1 70 TRP HZ3 . . 5.500 5.046 4.423 5.516 0.016 6 0 "[ . 1 . 2]" 1
407 1 61 TYR QB 1 62 SER H . . 3.590 2.197 1.917 3.213 . 0 0 "[ . 1 . 2]" 1
408 1 61 TYR QD 1 62 SER H . . 3.390 3.231 2.568 3.394 0.004 13 0 "[ . 1 . 2]" 1
409 1 61 TYR QD 1 73 THR H . . 5.500 2.941 1.930 3.401 . 0 0 "[ . 1 . 2]" 1
410 1 61 TYR QD 1 73 THR HA . . 3.950 2.677 2.145 2.823 . 0 0 "[ . 1 . 2]" 1
411 1 61 TYR QD 1 73 THR MG . . 6.530 4.700 4.498 4.985 . 0 0 "[ . 1 . 2]" 1
412 1 61 TYR QD 1 74 THR H . . 2.620 2.219 1.938 2.683 0.063 19 0 "[ . 1 . 2]" 1
413 1 61 TYR QE 1 73 THR H . . 5.500 4.506 3.324 5.479 . 0 0 "[ . 1 . 2]" 1
414 1 61 TYR QE 1 73 THR HA . . 4.380 3.312 2.903 4.000 . 0 0 "[ . 1 . 2]" 1
415 1 61 TYR QE 1 74 THR H . . 4.070 3.460 2.190 4.067 . 0 0 "[ . 1 . 2]" 1
416 1 62 SER H 1 62 SER HB2 . . 3.210 2.847 2.502 3.200 . 0 0 "[ . 1 . 2]" 1
417 1 62 SER H 1 62 SER QB . . 2.820 2.523 2.410 2.672 . 0 0 "[ . 1 . 2]" 1
418 1 62 SER H 1 62 SER HB3 . . 3.210 2.922 2.492 3.215 0.005 3 0 "[ . 1 . 2]" 1
419 1 62 SER HA 1 70 TRP HA . . 2.400 2.438 2.407 2.497 0.097 19 0 "[ . 1 . 2]" 1
420 1 62 SER HA 1 71 PHE H . . 3.420 2.762 2.579 3.203 . 0 0 "[ . 1 . 2]" 1
421 1 62 SER QB 1 63 SER H . . 3.930 3.238 2.848 3.524 . 0 0 "[ . 1 . 2]" 1
422 1 62 SER QB 1 70 TRP HA . . 6.380 4.281 4.028 4.527 . 0 0 "[ . 1 . 2]" 1
423 1 63 SER H 1 63 SER HB2 . . 3.550 2.605 2.061 3.493 . 0 0 "[ . 1 . 2]" 1
424 1 63 SER H 1 63 SER HB3 . . 3.550 2.701 2.079 3.595 0.045 10 0 "[ . 1 . 2]" 1
425 1 63 SER H 1 64 ASP H . . 4.700 2.375 2.221 2.803 . 0 0 "[ . 1 . 2]" 1
426 1 63 SER H 1 70 TRP H . . 5.630 5.400 5.012 5.642 0.012 15 0 "[ . 1 . 2]" 1
427 1 63 SER QB 1 64 ASP H . . 3.740 3.104 2.789 3.401 . 0 0 "[ . 1 . 2]" 1
428 1 63 SER QB 1 71 PHE QB . . 6.320 4.374 3.536 4.974 . 0 0 "[ . 1 . 2]" 1
429 1 63 SER QB 1 71 PHE HD1 . . 6.380 4.536 4.052 5.201 . 0 0 "[ . 1 . 2]" 1
430 1 63 SER QB 1 71 PHE HE1 . . 5.560 4.258 3.731 4.850 . 0 0 "[ . 1 . 2]" 1
431 1 63 SER HB2 1 71 PHE HB2 . . 7.250 4.858 3.852 5.826 . 0 0 "[ . 1 . 2]" 1
432 1 63 SER HB2 1 71 PHE HB3 . . 7.250 6.047 5.076 7.124 . 0 0 "[ . 1 . 2]" 1
433 1 63 SER HB2 1 71 PHE HE1 . . 6.000 4.534 3.839 5.297 . 0 0 "[ . 1 . 2]" 1
434 1 63 SER HB3 1 71 PHE HB2 . . 7.250 5.712 3.915 6.199 . 0 0 "[ . 1 . 2]" 1
435 1 63 SER HB3 1 71 PHE HB3 . . 7.250 6.971 5.212 7.281 0.031 2 0 "[ . 1 . 2]" 1
436 1 63 SER HB3 1 71 PHE HE1 . . 6.000 5.405 4.182 6.000 . 0 0 "[ . 1 . 2]" 1
437 1 64 ASP H 1 64 ASP HA . . 3.120 2.181 2.167 2.203 . 0 0 "[ . 1 . 2]" 1
438 1 64 ASP H 1 65 ASP H . . 4.300 2.542 2.318 2.825 . 0 0 "[ . 1 . 2]" 1
439 1 64 ASP HA 1 65 ASP H . . 3.080 2.997 2.831 3.132 0.052 18 0 "[ . 1 . 2]" 1
440 1 65 ASP H 1 65 ASP HB2 . . 4.110 3.081 2.634 4.043 . 0 0 "[ . 1 . 2]" 1
441 1 65 ASP H 1 65 ASP QB . . 3.920 2.804 2.563 3.172 . 0 0 "[ . 1 . 2]" 1
442 1 65 ASP H 1 65 ASP HB3 . . 4.110 3.403 3.004 3.932 . 0 0 "[ . 1 . 2]" 1
443 1 65 ASP H 1 66 ILE H . . 5.070 4.365 4.288 4.416 . 0 0 "[ . 1 . 2]" 1
444 1 66 ILE H 1 67 PRO HA . . 4.670 4.553 4.541 4.557 . 0 0 "[ . 1 . 2]" 1
445 1 66 ILE HA 1 66 ILE HG12 . . 3.920 3.315 2.564 3.831 . 0 0 "[ . 1 . 2]" 1
446 1 66 ILE HA 1 66 ILE QG . . 3.130 2.411 2.070 2.718 . 0 0 "[ . 1 . 2]" 1
447 1 66 ILE HA 1 66 ILE HG13 . . 3.920 2.501 2.088 2.783 . 0 0 "[ . 1 . 2]" 1
448 1 66 ILE HA 1 67 PRO HA . . 3.270 1.898 1.836 1.950 . 0 0 "[ . 1 . 2]" 1
449 1 66 ILE HA 1 68 PRO QD . . 5.450 2.911 2.144 3.130 . 0 0 "[ . 1 . 2]" 1
450 1 66 ILE HB 1 66 ILE MD . . 3.430 2.167 1.926 2.408 . 0 0 "[ . 1 . 2]" 1
451 1 66 ILE MD 1 67 PRO HA . . 5.540 3.403 1.933 4.488 . 0 0 "[ . 1 . 2]" 1
452 1 67 PRO HA 1 68 PRO HD2 . . 2.900 2.851 2.515 2.951 0.051 20 0 "[ . 1 . 2]" 1
453 1 67 PRO HA 1 68 PRO HD3 . . 2.900 2.115 1.944 2.180 . 0 0 "[ . 1 . 2]" 1
454 1 67 PRO HA 1 68 PRO HG2 . . 5.500 4.747 4.493 4.827 . 0 0 "[ . 1 . 2]" 1
455 1 67 PRO HA 1 68 PRO QG . . 5.080 4.026 3.858 4.084 . 0 0 "[ . 1 . 2]" 1
456 1 67 PRO HA 1 68 PRO HG3 . . 5.500 4.351 4.203 4.407 . 0 0 "[ . 1 . 2]" 1
457 1 67 PRO QB 1 68 PRO QD . . 4.570 2.095 1.918 2.672 . 0 0 "[ . 1 . 2]" 1
458 1 67 PRO QB 1 69 ARG QG . . 7.250 3.603 3.147 4.997 . 0 0 "[ . 1 . 2]" 1
459 1 67 PRO QG 1 69 ARG QG . . 6.100 3.415 3.011 4.585 . 0 0 "[ . 1 . 2]" 1
460 1 67 PRO HG2 1 69 ARG HG2 . . 7.220 3.933 3.360 5.497 . 0 0 "[ . 1 . 2]" 1
461 1 67 PRO HG2 1 69 ARG HG3 . . 7.220 3.993 3.348 5.538 . 0 0 "[ . 1 . 2]" 1
462 1 67 PRO HG3 1 69 ARG HG2 . . 7.220 5.621 5.058 7.214 . 0 0 "[ . 1 . 2]" 1
463 1 67 PRO HG3 1 69 ARG HG3 . . 7.220 5.636 5.009 7.245 0.025 18 0 "[ . 1 . 2]" 1
464 1 68 PRO HA 1 69 ARG H . . 3.210 2.171 2.149 2.255 . 0 0 "[ . 1 . 2]" 1
465 1 68 PRO QB 1 69 ARG H . . 4.020 3.485 3.026 3.682 . 0 0 "[ . 1 . 2]" 1
466 1 69 ARG H 1 70 TRP H . . 5.500 4.363 4.218 4.468 . 0 0 "[ . 1 . 2]" 1
467 1 69 ARG HA 1 69 ARG QG . . 4.020 2.570 2.121 3.381 . 0 0 "[ . 1 . 2]" 1
468 1 69 ARG HA 1 70 TRP H . . 3.270 2.323 2.227 2.745 . 0 0 "[ . 1 . 2]" 1
469 1 69 ARG HA 1 70 TRP HE1 . . 5.440 5.028 4.157 5.405 . 0 0 "[ . 1 . 2]" 1
470 1 69 ARG QB 1 70 TRP H . . 4.490 2.991 2.066 3.371 . 0 0 "[ . 1 . 2]" 1
471 1 69 ARG QB 1 71 PHE HE1 . . 4.390 2.503 2.096 3.884 . 0 0 "[ . 1 . 2]" 1
472 1 69 ARG HB2 1 71 PHE HE1 . . 4.570 2.967 2.417 4.194 . 0 0 "[ . 1 . 2]" 1
473 1 69 ARG HB3 1 71 PHE HE1 . . 4.570 2.829 2.174 4.587 0.017 11 0 "[ . 1 . 2]" 1
474 1 69 ARG QD 1 70 TRP H . . 6.250 5.133 4.569 5.642 . 0 0 "[ . 1 . 2]" 1
475 1 70 TRP H 1 70 TRP HE1 . . 5.160 4.744 4.635 4.882 . 0 0 "[ . 1 . 2]" 1
476 1 70 TRP H 1 71 PHE H . . 5.500 4.479 4.447 4.520 . 0 0 "[ . 1 . 2]" 1
477 1 70 TRP HA 1 70 TRP HE3 . . 4.200 3.514 3.166 3.919 . 0 0 "[ . 1 . 2]" 1
478 1 70 TRP HA 1 71 PHE H . . 2.870 2.212 2.205 2.244 . 0 0 "[ . 1 . 2]" 1
479 1 70 TRP HA 1 71 PHE HD1 . . 5.220 4.062 3.965 4.171 . 0 0 "[ . 1 . 2]" 1
480 1 71 PHE H 1 71 PHE HA . . 2.900 2.935 2.931 2.937 0.037 19 0 "[ . 1 . 2]" 1
481 1 71 PHE H 1 71 PHE HB2 . . 3.360 2.215 2.170 2.237 . 0 0 "[ . 1 . 2]" 1
482 1 71 PHE H 1 71 PHE QB . . 3.010 2.190 2.147 2.212 . 0 0 "[ . 1 . 2]" 1
483 1 71 PHE H 1 71 PHE HB3 . . 3.360 3.454 3.405 3.493 0.133 14 0 "[ . 1 . 2]" 1
484 1 71 PHE H 1 71 PHE HD1 . . 5.500 3.278 3.159 3.406 . 0 0 "[ . 1 . 2]" 1
485 1 71 PHE HA 1 71 PHE HD1 . . 4.170 2.011 1.962 2.087 . 0 0 "[ . 1 . 2]" 1
486 1 71 PHE QB 1 72 MET H . . 4.020 1.936 1.863 2.273 . 0 0 "[ . 1 . 2]" 1
487 1 71 PHE HD1 1 72 MET H . . 4.510 4.407 4.286 4.482 . 0 0 "[ . 1 . 2]" 1
488 1 72 MET H 1 74 THR MG . . 5.750 3.363 2.014 4.714 . 0 0 "[ . 1 . 2]" 1
489 1 72 MET HA 1 73 THR H . . 2.990 2.274 2.209 2.469 . 0 0 "[ . 1 . 2]" 1
490 1 73 THR H 1 73 THR HB . . 2.930 2.881 2.699 2.975 0.045 20 0 "[ . 1 . 2]" 1
491 1 73 THR H 1 73 THR MG . . 4.510 3.274 2.941 3.989 . 0 0 "[ . 1 . 2]" 1
492 1 74 THR H 1 74 THR MG . . 4.110 2.724 1.940 3.469 . 0 0 "[ . 1 . 2]" 1
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