NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
626056 |
6bgh   |
30368 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6bgh
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 875
_Distance_constraint_stats_list.Viol_count 1835
_Distance_constraint_stats_list.Viol_total 3938.409
_Distance_constraint_stats_list.Viol_max 2.066
_Distance_constraint_stats_list.Viol_rms 0.0846
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0113
_Distance_constraint_stats_list.Viol_average_violations_only 0.1073
_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 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 TYR 1.334 0.164 8 0 "[ . 1 . 2]"
1 6 ASP 0.496 0.123 11 0 "[ . 1 . 2]"
1 7 SER 0.552 0.218 6 0 "[ . 1 . 2]"
1 8 GLU 0.595 0.218 6 0 "[ . 1 . 2]"
1 9 GLU 0.420 0.150 9 0 "[ . 1 . 2]"
1 10 GLU 0.423 0.154 6 0 "[ . 1 . 2]"
1 11 GLU 0.315 0.083 19 0 "[ . 1 . 2]"
1 12 GLU 1.656 0.249 17 0 "[ . 1 . 2]"
1 13 GLY 1.432 0.182 13 0 "[ . 1 . 2]"
1 14 LEU 1.108 0.138 19 0 "[ . 1 . 2]"
1 15 PRO 1.368 0.130 19 0 "[ . 1 . 2]"
1 16 MET 1.376 0.130 19 0 "[ . 1 . 2]"
1 17 SER 0.594 0.137 20 0 "[ . 1 . 2]"
1 18 TYR 0.075 0.064 14 0 "[ . 1 . 2]"
1 19 ASP 0.247 0.064 14 0 "[ . 1 . 2]"
1 20 GLU 1.920 0.168 16 0 "[ . 1 . 2]"
1 21 LYS 1.556 0.114 12 0 "[ . 1 . 2]"
1 22 ARG 6.978 0.305 5 0 "[ . 1 . 2]"
1 23 GLN 0.912 0.208 12 0 "[ . 1 . 2]"
1 24 LEU 2.135 0.208 12 0 "[ . 1 . 2]"
1 25 SER 7.433 1.429 8 3 "[ . + 1 - . *]"
1 26 LEU 4.403 0.175 18 0 "[ . 1 . 2]"
1 27 ASP 2.948 0.205 1 0 "[ . 1 . 2]"
1 28 ILE 42.639 1.831 17 20 [-***************+***]
1 29 ASN 0.765 0.102 7 0 "[ . 1 . 2]"
1 30 ARG 0.088 0.036 11 0 "[ . 1 . 2]"
1 31 LEU 7.039 0.202 13 0 "[ . 1 . 2]"
1 32 PRO 0.501 0.062 11 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.346 0.083 17 0 "[ . 1 . 2]"
1 35 LYS 0.607 0.062 11 0 "[ . 1 . 2]"
1 36 LEU 2.910 0.113 2 0 "[ . 1 . 2]"
1 37 GLY 1.114 0.108 7 0 "[ . 1 . 2]"
1 38 ARG 1.243 0.126 18 0 "[ . 1 . 2]"
1 39 VAL 4.542 0.145 6 0 "[ . 1 . 2]"
1 40 VAL 3.456 0.150 3 0 "[ . 1 . 2]"
1 41 HIS 4.037 0.225 18 0 "[ . 1 . 2]"
1 42 ILE 3.163 0.296 5 0 "[ . 1 . 2]"
1 43 ILE 9.366 0.145 18 0 "[ . 1 . 2]"
1 44 GLN 6.286 0.274 1 0 "[ . 1 . 2]"
1 45 SER 0.450 0.186 1 0 "[ . 1 . 2]"
1 46 ARG 1.266 0.145 18 0 "[ . 1 . 2]"
1 47 GLU 1.021 0.167 10 0 "[ . 1 . 2]"
1 48 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.167 0.167 10 0 "[ . 1 . 2]"
1 50 LEU 2.799 0.168 7 0 "[ . 1 . 2]"
1 51 ARG 2.439 0.274 1 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASN 1.243 0.353 11 0 "[ . 1 . 2]"
1 55 PRO 2.169 0.353 11 0 "[ . 1 . 2]"
1 56 ASP 0.715 0.253 11 0 "[ . 1 . 2]"
1 57 GLU 0.302 0.067 17 0 "[ . 1 . 2]"
1 58 ILE 10.120 0.231 1 0 "[ . 1 . 2]"
1 59 GLU 17.570 1.174 8 3 "[ . +-1* . 2]"
1 60 ILE 43.974 2.066 1 20 [+***************-***]
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 4.400 0.201 20 0 "[ . 1 . 2]"
1 63 GLU 5.890 0.273 8 0 "[ . 1 . 2]"
1 64 THR 0.737 0.093 8 0 "[ . 1 . 2]"
1 65 LEU 0.611 0.085 15 0 "[ . 1 . 2]"
1 66 LYS 0.331 0.127 5 0 "[ . 1 . 2]"
1 67 PRO 0.056 0.022 14 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 1.290 0.117 8 0 "[ . 1 . 2]"
1 70 LEU 0.374 0.055 5 0 "[ . 1 . 2]"
1 71 ARG 0.112 0.100 8 0 "[ . 1 . 2]"
1 72 GLU 1.183 0.076 12 0 "[ . 1 . 2]"
1 73 LEU 0.924 0.096 14 0 "[ . 1 . 2]"
1 74 GLU 0.954 0.166 16 0 "[ . 1 . 2]"
1 75 ARG 2.716 0.166 16 0 "[ . 1 . 2]"
1 76 TYR 6.661 0.205 1 0 "[ . 1 . 2]"
1 77 VAL 5.225 0.157 13 0 "[ . 1 . 2]"
1 78 LYS 0.109 0.106 9 0 "[ . 1 . 2]"
1 79 SER 0.128 0.044 12 0 "[ . 1 . 2]"
1 80 CYS 1.913 0.174 1 0 "[ . 1 . 2]"
1 81 LEU 0.252 0.187 2 0 "[ . 1 . 2]"
1 82 GLN 1.155 0.157 5 0 "[ . 1 . 2]"
1 83 LYS 1.307 0.157 5 0 "[ . 1 . 2]"
1 86 ARG 0.156 0.134 10 0 "[ . 1 . 2]"
1 87 LYS 0.156 0.134 10 0 "[ . 1 . 2]"
2 4 LYS 3.602 0.243 14 0 "[ . 1 . 2]"
2 5 VAL 17.861 1.429 8 3 "[ . + 1 - . *]"
2 7 ILE 33.952 1.553 2 20 [*+**************-***]
2 8 LYS 27.032 2.066 1 5 "[+ . *-1* *. 2]"
2 9 LEU 43.063 1.831 17 20 [-***************+***]
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 4 SER H 1 4 SER QB . . 3.100 2.450 2.234 2.743 . 0 0 "[ . 1 . 2]" 1
2 1 4 SER QB 1 5 TYR H . . 4.780 2.912 2.142 3.733 . 0 0 "[ . 1 . 2]" 1
3 1 5 TYR H 1 5 TYR QB . . 2.610 2.529 2.296 2.774 0.164 8 0 "[ . 1 . 2]" 1
4 1 5 TYR H 1 5 TYR QD . . 5.090 3.752 2.361 4.305 . 0 0 "[ . 1 . 2]" 1
5 1 5 TYR HA 1 5 TYR QD . . 4.230 2.696 2.283 3.779 . 0 0 "[ . 1 . 2]" 1
6 1 5 TYR HA 1 6 ASP H . . 3.550 2.526 2.036 3.568 0.018 9 0 "[ . 1 . 2]" 1
7 1 5 TYR QB 1 6 ASP H . . 4.040 3.033 1.893 3.926 . 0 0 "[ . 1 . 2]" 1
8 1 5 TYR HB2 1 6 ASP H . . 4.670 3.945 2.873 4.516 . 0 0 "[ . 1 . 2]" 1
9 1 5 TYR HB3 1 6 ASP H . . 4.670 3.298 1.902 4.435 . 0 0 "[ . 1 . 2]" 1
10 1 5 TYR QD 1 6 ASP H . . 3.730 3.396 2.365 3.797 0.067 14 0 "[ . 1 . 2]" 1
11 1 6 ASP H 1 7 SER H . . 5.500 3.846 2.090 4.526 . 0 0 "[ . 1 . 2]" 1
12 1 6 ASP HA 1 6 ASP QB . . 2.590 2.354 2.177 2.530 . 0 0 "[ . 1 . 2]" 1
13 1 6 ASP HA 1 7 SER H . . 3.310 2.394 2.055 3.433 0.123 11 0 "[ . 1 . 2]" 1
14 1 7 SER H 1 7 SER QB . . 3.320 2.583 2.394 3.136 . 0 0 "[ . 1 . 2]" 1
15 1 7 SER H 1 8 GLU H . . 4.460 2.263 1.654 2.652 . 0 0 "[ . 1 . 2]" 1
16 1 7 SER HA 1 7 SER QB . . 2.450 2.322 2.150 2.433 . 0 0 "[ . 1 . 2]" 1
17 1 7 SER HA 1 8 GLU QB . . 4.790 4.513 4.223 4.874 0.084 19 0 "[ . 1 . 2]" 1
18 1 7 SER HA 1 8 GLU QG . . 4.900 4.344 3.558 4.887 . 0 0 "[ . 1 . 2]" 1
19 1 7 SER QB 1 8 GLU H . . 4.240 2.887 2.078 3.882 . 0 0 "[ . 1 . 2]" 1
20 1 7 SER QB 1 8 GLU QB . . 4.740 4.393 3.478 4.958 0.218 6 0 "[ . 1 . 2]" 1
21 1 8 GLU H 1 8 GLU QB . . 3.630 3.240 2.454 3.409 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLU H 1 8 GLU QG . . 3.330 2.797 2.363 3.366 0.036 6 0 "[ . 1 . 2]" 1
23 1 8 GLU H 1 9 GLU H . . 4.410 3.669 2.739 4.446 0.036 3 0 "[ . 1 . 2]" 1
24 1 8 GLU HA 1 8 GLU QB . . 2.520 2.313 2.139 2.454 . 0 0 "[ . 1 . 2]" 1
25 1 8 GLU HA 1 9 GLU H . . 2.560 2.296 2.012 2.635 0.075 11 0 "[ . 1 . 2]" 1
26 1 9 GLU H 1 9 GLU QB . . 3.000 2.646 2.397 3.150 0.150 9 0 "[ . 1 . 2]" 1
27 1 9 GLU H 1 9 GLU QG . . 2.990 2.457 1.864 3.051 0.061 13 0 "[ . 1 . 2]" 1
28 1 10 GLU HA 1 10 GLU QB . . 2.420 2.361 2.305 2.424 0.004 13 0 "[ . 1 . 2]" 1
29 1 10 GLU HA 1 10 GLU QG . . 2.670 2.476 2.342 2.824 0.154 6 0 "[ . 1 . 2]" 1
30 1 10 GLU QB 1 10 GLU QG . . 2.300 2.076 1.997 2.092 . 0 0 "[ . 1 . 2]" 1
31 1 10 GLU QB 1 11 GLU H . . 3.630 2.939 1.904 3.713 0.083 19 0 "[ . 1 . 2]" 1
32 1 10 GLU HB2 1 11 GLU H . . 4.210 3.741 2.103 4.259 0.049 3 0 "[ . 1 . 2]" 1
33 1 10 GLU HB3 1 11 GLU H . . 4.210 3.222 1.913 4.136 . 0 0 "[ . 1 . 2]" 1
34 1 11 GLU H 1 11 GLU QB . . 3.340 2.770 2.387 3.369 0.029 19 0 "[ . 1 . 2]" 1
35 1 11 GLU H 1 11 GLU QG . . 3.510 2.621 1.883 3.509 . 0 0 "[ . 1 . 2]" 1
36 1 11 GLU H 1 12 GLU H . . 4.770 4.290 2.635 4.735 . 0 0 "[ . 1 . 2]" 1
37 1 11 GLU HA 1 12 GLU H . . 3.130 2.401 2.003 3.151 0.021 10 0 "[ . 1 . 2]" 1
38 1 11 GLU QB 1 12 GLU H . . 3.880 2.713 1.923 3.714 . 0 0 "[ . 1 . 2]" 1
39 1 12 GLU H 1 12 GLU QB . . 2.820 2.573 2.033 3.069 0.249 17 0 "[ . 1 . 2]" 1
40 1 12 GLU H 1 12 GLU QG . . 3.650 2.836 1.922 3.837 0.187 10 0 "[ . 1 . 2]" 1
41 1 12 GLU HA 1 13 GLY H . . 3.190 2.411 2.011 3.372 0.182 13 0 "[ . 1 . 2]" 1
42 1 12 GLU HA 1 14 LEU H . . 4.580 3.815 2.983 4.492 . 0 0 "[ . 1 . 2]" 1
43 1 12 GLU QB 1 13 GLY H . . 3.910 3.156 1.954 3.948 0.038 10 0 "[ . 1 . 2]" 1
44 1 12 GLU QG 1 13 GLY H . . 4.440 4.032 3.097 4.545 0.105 17 0 "[ . 1 . 2]" 1
45 1 13 GLY H 1 14 LEU H . . 3.530 2.642 2.184 3.550 0.020 19 0 "[ . 1 . 2]" 1
46 1 13 GLY H 1 14 LEU HA . . 4.900 4.663 4.048 4.989 0.089 18 0 "[ . 1 . 2]" 1
47 1 13 GLY H 1 14 LEU QB . . 5.180 4.578 3.413 5.318 0.138 19 0 "[ . 1 . 2]" 1
48 1 13 GLY QA 1 14 LEU H . . 3.030 2.614 2.197 2.859 . 0 0 "[ . 1 . 2]" 1
49 1 14 LEU H 1 14 LEU QB . . 3.280 2.522 2.145 3.089 . 0 0 "[ . 1 . 2]" 1
50 1 14 LEU H 1 14 LEU MD1 . . 4.280 3.645 2.531 4.113 . 0 0 "[ . 1 . 2]" 1
51 1 14 LEU H 1 14 LEU QD . . 3.670 3.090 1.781 3.416 . 0 0 "[ . 1 . 2]" 1
52 1 14 LEU H 1 14 LEU MD2 . . 4.280 3.491 1.783 3.832 . 0 0 "[ . 1 . 2]" 1
53 1 14 LEU H 1 14 LEU HG . . 2.850 2.561 1.926 2.895 0.045 18 0 "[ . 1 . 2]" 1
54 1 14 LEU HA 1 14 LEU QD . . 4.030 2.353 2.035 3.433 . 0 0 "[ . 1 . 2]" 1
55 1 14 LEU HA 1 14 LEU HG . . 3.630 3.252 3.007 3.688 0.058 18 0 "[ . 1 . 2]" 1
56 1 14 LEU HA 1 15 PRO QD . . 3.450 2.050 1.961 2.160 . 0 0 "[ . 1 . 2]" 1
57 1 14 LEU HA 1 15 PRO HG3 . . 4.580 4.464 4.294 4.587 0.007 12 0 "[ . 1 . 2]" 1
58 1 14 LEU QB 1 14 LEU QD . . 2.560 1.945 1.903 1.959 . 0 0 "[ . 1 . 2]" 1
59 1 14 LEU QB 1 15 PRO QD . . 4.020 2.891 2.255 3.692 . 0 0 "[ . 1 . 2]" 1
60 1 14 LEU QD 1 15 PRO QD . . 3.940 3.112 2.542 3.714 . 0 0 "[ . 1 . 2]" 1
61 1 15 PRO HA 1 16 MET H . . 3.130 2.317 2.077 2.444 . 0 0 "[ . 1 . 2]" 1
62 1 15 PRO HA 1 16 MET QG . . 5.050 3.812 3.165 5.081 0.031 20 0 "[ . 1 . 2]" 1
63 1 15 PRO HB2 1 16 MET H . . 3.900 2.730 2.528 3.092 . 0 0 "[ . 1 . 2]" 1
64 1 15 PRO HB2 1 16 MET QG . . 4.590 4.526 3.827 4.720 0.130 19 0 "[ . 1 . 2]" 1
65 1 15 PRO HB2 1 17 SER H . . 5.500 4.827 4.343 5.494 . 0 0 "[ . 1 . 2]" 1
66 1 15 PRO HB3 1 16 MET H . . 3.620 3.569 3.379 3.671 0.051 17 0 "[ . 1 . 2]" 1
67 1 15 PRO HG2 1 16 MET H . . 4.530 4.469 4.279 4.592 0.062 17 0 "[ . 1 . 2]" 1
68 1 15 PRO HG2 1 17 SER H . . 5.500 4.991 4.366 5.555 0.055 19 0 "[ . 1 . 2]" 1
69 1 16 MET H 1 16 MET HB2 . . 3.810 3.262 2.469 3.797 . 0 0 "[ . 1 . 2]" 1
70 1 16 MET H 1 16 MET QB . . 3.220 2.715 2.430 3.059 . 0 0 "[ . 1 . 2]" 1
71 1 16 MET H 1 16 MET HB3 . . 3.810 3.249 2.583 3.819 0.009 14 0 "[ . 1 . 2]" 1
72 1 16 MET H 1 16 MET QG . . 4.020 2.392 2.076 2.983 . 0 0 "[ . 1 . 2]" 1
73 1 16 MET H 1 17 SER H . . 5.150 4.209 4.007 4.370 . 0 0 "[ . 1 . 2]" 1
74 1 16 MET HA 1 17 SER H . . 3.200 2.082 1.982 2.174 . 0 0 "[ . 1 . 2]" 1
75 1 16 MET HA 1 21 LYS H . . 5.500 5.150 4.510 5.528 0.028 10 0 "[ . 1 . 2]" 1
76 1 16 MET QB 1 17 SER H . . 3.600 3.430 3.067 3.603 0.003 20 0 "[ . 1 . 2]" 1
77 1 16 MET HB2 1 17 SER H . . 4.400 3.892 3.163 4.377 . 0 0 "[ . 1 . 2]" 1
78 1 16 MET HB3 1 17 SER H . . 4.400 4.022 3.245 4.445 0.045 20 0 "[ . 1 . 2]" 1
79 1 16 MET QG 1 17 SER H . . 5.340 4.360 3.896 4.778 . 0 0 "[ . 1 . 2]" 1
80 1 17 SER H 1 20 GLU H . . 4.180 3.570 2.926 4.058 . 0 0 "[ . 1 . 2]" 1
81 1 17 SER H 1 20 GLU HA . . 5.290 5.149 4.467 5.427 0.137 20 0 "[ . 1 . 2]" 1
82 1 17 SER H 1 20 GLU QG . . 3.700 3.116 2.286 3.712 0.012 8 0 "[ . 1 . 2]" 1
83 1 17 SER H 1 21 LYS H . . 4.910 4.047 3.464 4.681 . 0 0 "[ . 1 . 2]" 1
84 1 17 SER HA 1 19 ASP H . . 4.560 4.300 4.009 4.613 0.053 15 0 "[ . 1 . 2]" 1
85 1 17 SER HA 1 20 GLU H . . 5.500 4.600 4.351 5.024 . 0 0 "[ . 1 . 2]" 1
86 1 17 SER QB 1 19 ASP H . . 4.780 3.013 2.360 3.711 . 0 0 "[ . 1 . 2]" 1
87 1 18 TYR H 1 18 TYR QD . . 5.500 2.554 1.960 3.439 . 0 0 "[ . 1 . 2]" 1
88 1 18 TYR HA 1 18 TYR QD . . 3.670 2.720 2.025 3.108 . 0 0 "[ . 1 . 2]" 1
89 1 18 TYR HA 1 18 TYR QE . . 5.010 4.537 4.276 4.768 . 0 0 "[ . 1 . 2]" 1
90 1 18 TYR HA 1 21 LYS H . . 4.620 3.386 3.154 4.118 . 0 0 "[ . 1 . 2]" 1
91 1 18 TYR HA 1 21 LYS HB2 . . 3.750 2.826 2.460 3.547 . 0 0 "[ . 1 . 2]" 1
92 1 18 TYR HA 1 21 LYS HB3 . . 5.120 4.287 3.901 5.120 . 8 0 "[ . 1 . 2]" 1
93 1 18 TYR QB 1 19 ASP H . . 3.700 2.750 2.218 2.951 . 0 0 "[ . 1 . 2]" 1
94 1 18 TYR QD 1 19 ASP H . . 4.550 4.268 3.578 4.614 0.064 14 0 "[ . 1 . 2]" 1
95 1 19 ASP H 1 19 ASP HB2 . . 4.130 2.702 2.345 3.654 . 0 0 "[ . 1 . 2]" 1
96 1 19 ASP H 1 19 ASP QB . . 3.300 2.405 2.244 2.792 . 0 0 "[ . 1 . 2]" 1
97 1 19 ASP H 1 19 ASP HB3 . . 4.130 3.058 2.424 3.675 . 0 0 "[ . 1 . 2]" 1
98 1 19 ASP H 1 20 GLU H . . 3.140 2.630 2.466 2.934 . 0 0 "[ . 1 . 2]" 1
99 1 19 ASP HA 1 22 ARG QB . . 5.020 2.678 2.137 3.307 . 0 0 "[ . 1 . 2]" 1
100 1 19 ASP QB 1 20 GLU H . . 3.670 2.795 2.295 3.569 . 0 0 "[ . 1 . 2]" 1
101 1 19 ASP QB 1 20 GLU HA . . 4.950 4.099 3.817 4.501 . 0 0 "[ . 1 . 2]" 1
102 1 19 ASP QB 1 21 LYS H . . 5.260 4.848 4.622 5.284 0.024 17 0 "[ . 1 . 2]" 1
103 1 19 ASP HB2 1 20 GLU H . . 4.420 3.398 2.519 4.130 . 0 0 "[ . 1 . 2]" 1
104 1 19 ASP HB3 1 20 GLU H . . 4.420 3.318 2.319 4.081 . 0 0 "[ . 1 . 2]" 1
105 1 20 GLU H 1 20 GLU HB2 . . 2.770 2.422 2.234 2.537 . 0 0 "[ . 1 . 2]" 1
106 1 20 GLU H 1 20 GLU HG2 . . 3.860 3.128 2.143 3.895 0.035 15 0 "[ . 1 . 2]" 1
107 1 20 GLU H 1 20 GLU QG . . 3.350 2.669 2.127 3.518 0.168 16 0 "[ . 1 . 2]" 1
108 1 20 GLU H 1 20 GLU HG3 . . 3.860 3.403 2.298 4.016 0.156 16 0 "[ . 1 . 2]" 1
109 1 20 GLU H 1 21 LYS H . . 3.980 2.615 2.426 2.809 . 0 0 "[ . 1 . 2]" 1
110 1 20 GLU HA 1 20 GLU HB3 . . 2.820 2.559 2.440 2.942 0.122 1 0 "[ . 1 . 2]" 1
111 1 20 GLU HA 1 20 GLU QG . . 2.870 2.613 2.297 2.921 0.051 4 0 "[ . 1 . 2]" 1
112 1 20 GLU HA 1 23 GLN H . . 4.290 3.402 2.932 3.828 . 0 0 "[ . 1 . 2]" 1
113 1 20 GLU HA 1 23 GLN QB . . 3.350 2.935 2.510 3.427 0.077 18 0 "[ . 1 . 2]" 1
114 1 20 GLU HA 1 24 LEU H . . 5.420 5.040 4.537 5.445 0.025 14 0 "[ . 1 . 2]" 1
115 1 20 GLU HB3 1 21 LYS H . . 3.550 3.408 2.060 3.615 0.065 11 0 "[ . 1 . 2]" 1
116 1 20 GLU QG 1 21 LYS H . . 4.960 4.056 2.899 4.482 . 0 0 "[ . 1 . 2]" 1
117 1 21 LYS H 1 21 LYS HB2 . . 3.510 2.602 2.409 2.805 . 0 0 "[ . 1 . 2]" 1
118 1 21 LYS H 1 21 LYS HB3 . . 3.650 3.625 3.538 3.664 0.014 13 0 "[ . 1 . 2]" 1
119 1 21 LYS H 1 22 ARG H . . 4.330 2.539 2.343 2.688 . 0 0 "[ . 1 . 2]" 1
120 1 21 LYS H 2 5 VAL QG . . 4.850 4.333 4.143 4.503 . 0 0 "[ . 1 . 2]" 1
121 1 21 LYS HB2 1 22 ARG H . . 3.960 2.436 2.190 2.803 . 0 0 "[ . 1 . 2]" 1
122 1 21 LYS HB2 2 5 VAL QG . . 2.400 2.444 2.384 2.514 0.114 12 0 "[ . 1 . 2]" 1
123 1 21 LYS HB3 2 5 VAL QG . . 2.400 2.400 2.316 2.500 0.100 10 0 "[ . 1 . 2]" 1
124 1 22 ARG H 1 23 GLN H . . 4.690 2.564 2.429 2.712 . 0 0 "[ . 1 . 2]" 1
125 1 22 ARG HA 1 24 LEU QD . . 5.440 4.824 4.478 5.278 . 0 0 "[ . 1 . 2]" 1
126 1 22 ARG HA 2 5 VAL QG . . 2.400 1.861 1.678 2.087 . 0 0 "[ . 1 . 2]" 1
127 1 22 ARG QB 2 5 VAL QG . . 2.400 1.958 1.569 2.372 . 0 0 "[ . 1 . 2]" 1
128 1 22 ARG QD 1 26 LEU QD . . 5.250 4.007 3.778 4.156 . 0 0 "[ . 1 . 2]" 1
129 1 22 ARG HD2 2 5 VAL QG . . 2.400 2.536 2.245 2.705 0.305 5 0 "[ . 1 . 2]" 1
130 1 22 ARG HD3 2 5 VAL QG . . 2.400 2.396 1.847 2.637 0.237 10 0 "[ . 1 . 2]" 1
131 1 22 ARG HG2 1 23 GLN H . . 4.740 4.507 4.219 4.729 . 0 0 "[ . 1 . 2]" 1
132 1 22 ARG HG2 1 26 LEU QD . . 2.400 2.508 2.427 2.575 0.175 18 0 "[ . 1 . 2]" 1
133 1 22 ARG HG3 1 23 GLN H . . 4.850 4.803 4.381 4.892 0.042 6 0 "[ . 1 . 2]" 1
134 1 22 ARG HG3 1 26 LEU QD . . 3.730 3.305 2.931 3.538 . 0 0 "[ . 1 . 2]" 1
135 1 22 ARG HG3 2 5 VAL HA . . 4.230 2.900 2.363 3.531 . 0 0 "[ . 1 . 2]" 1
136 1 22 ARG HG3 2 5 VAL QG . . 2.400 2.129 1.825 2.452 0.052 9 0 "[ . 1 . 2]" 1
137 1 23 GLN H 1 23 GLN QB . . 3.340 2.253 2.168 2.417 . 0 0 "[ . 1 . 2]" 1
138 1 23 GLN H 1 23 GLN QG . . 4.290 3.761 2.257 4.077 . 0 0 "[ . 1 . 2]" 1
139 1 23 GLN H 1 24 LEU H . . 2.910 2.698 2.616 2.778 . 0 0 "[ . 1 . 2]" 1
140 1 23 GLN H 1 24 LEU QD . . 4.330 3.715 3.439 4.397 0.067 9 0 "[ . 1 . 2]" 1
141 1 23 GLN HA 1 23 GLN QB . . 2.590 2.360 2.143 2.438 . 0 0 "[ . 1 . 2]" 1
142 1 23 GLN HA 1 24 LEU QD . . 4.540 4.334 4.229 4.552 0.012 9 0 "[ . 1 . 2]" 1
143 1 23 GLN HA 1 26 LEU H . . 4.020 3.587 3.307 3.928 . 0 0 "[ . 1 . 2]" 1
144 1 23 GLN HA 1 26 LEU HB2 . . 4.750 3.268 2.771 4.015 . 0 0 "[ . 1 . 2]" 1
145 1 23 GLN HA 1 26 LEU QD . . 2.550 2.423 2.178 2.608 0.058 17 0 "[ . 1 . 2]" 1
146 1 23 GLN QB 1 24 LEU H . . 3.160 2.683 2.486 3.368 0.208 12 0 "[ . 1 . 2]" 1
147 1 23 GLN QB 1 24 LEU QD . . 3.540 2.517 2.293 3.551 0.011 12 0 "[ . 1 . 2]" 1
148 1 23 GLN QG 1 24 LEU H . . 4.240 3.689 2.239 4.268 0.028 19 0 "[ . 1 . 2]" 1
149 1 23 GLN QG 1 24 LEU QD . . 5.300 3.001 1.935 4.099 . 0 0 "[ . 1 . 2]" 1
150 1 23 GLN QG 1 26 LEU QD . . 4.600 4.258 3.180 4.649 0.049 18 0 "[ . 1 . 2]" 1
151 1 24 LEU H 1 24 LEU HB2 . . 3.200 2.393 2.241 2.597 . 0 0 "[ . 1 . 2]" 1
152 1 24 LEU H 1 24 LEU MD1 . . 4.040 2.891 2.125 3.708 . 0 0 "[ . 1 . 2]" 1
153 1 24 LEU H 1 24 LEU MD2 . . 4.040 3.073 1.942 4.075 0.035 4 0 "[ . 1 . 2]" 1
154 1 24 LEU H 1 24 LEU HG . . 4.580 3.862 2.246 4.130 . 0 0 "[ . 1 . 2]" 1
155 1 24 LEU H 1 27 ASP H . . 5.290 4.836 4.608 5.279 . 0 0 "[ . 1 . 2]" 1
156 1 24 LEU HA 1 24 LEU QD . . 2.610 2.310 1.897 2.672 0.062 19 0 "[ . 1 . 2]" 1
157 1 24 LEU HA 1 27 ASP H . . 3.880 2.998 2.728 3.343 . 0 0 "[ . 1 . 2]" 1
158 1 24 LEU HA 1 62 PHE QD . . 5.500 5.537 5.410 5.598 0.098 13 0 "[ . 1 . 2]" 1
159 1 24 LEU HA 1 62 PHE QE . . 5.500 4.974 4.045 5.516 0.016 5 0 "[ . 1 . 2]" 1
160 1 24 LEU HB2 1 62 PHE QD . . 3.570 2.851 2.585 3.583 0.013 8 0 "[ . 1 . 2]" 1
161 1 24 LEU HB2 1 62 PHE QE . . 3.910 2.685 2.072 3.925 0.015 15 0 "[ . 1 . 2]" 1
162 1 24 LEU HB3 1 24 LEU QD . . 2.740 2.308 2.135 2.404 . 0 0 "[ . 1 . 2]" 1
163 1 24 LEU HB3 1 27 ASP H . . 5.000 4.845 4.610 5.017 0.017 10 0 "[ . 1 . 2]" 1
164 1 24 LEU HB3 1 77 VAL QG . . 5.320 3.968 3.362 4.428 . 0 0 "[ . 1 . 2]" 1
165 1 24 LEU QD 1 27 ASP H . . 5.440 4.541 3.959 5.163 . 0 0 "[ . 1 . 2]" 1
166 1 24 LEU QD 1 62 PHE QD . . 5.440 3.636 2.805 4.309 . 0 0 "[ . 1 . 2]" 1
167 1 24 LEU QD 1 62 PHE QE . . 5.440 2.709 1.829 3.966 . 0 0 "[ . 1 . 2]" 1
168 1 24 LEU QD 1 70 LEU HA . . 5.440 3.757 2.836 4.513 . 0 0 "[ . 1 . 2]" 1
169 1 24 LEU QD 1 70 LEU QB . . 4.250 3.946 2.245 4.305 0.055 5 0 "[ . 1 . 2]" 1
170 1 24 LEU QD 1 73 LEU H . . 4.350 4.012 3.531 4.274 . 0 0 "[ . 1 . 2]" 1
171 1 24 LEU QD 1 73 LEU QB . . 3.040 2.215 1.908 2.745 . 0 0 "[ . 1 . 2]" 1
172 1 24 LEU QD 1 74 GLU H . . 2.840 2.770 2.435 2.903 0.063 15 0 "[ . 1 . 2]" 1
173 1 24 LEU QD 1 74 GLU HB2 . . 5.440 2.277 1.920 2.690 . 0 0 "[ . 1 . 2]" 1
174 1 24 LEU QD 1 75 ARG H . . 4.920 4.515 4.228 4.666 . 0 0 "[ . 1 . 2]" 1
175 1 24 LEU QD 1 76 TYR H . . 5.440 5.228 4.761 5.488 0.048 16 0 "[ . 1 . 2]" 1
176 1 25 SER H 1 62 PHE QD . . 4.320 4.171 3.156 4.388 0.068 18 0 "[ . 1 . 2]" 1
177 1 25 SER HA 1 28 ILE H . . 5.500 3.864 3.467 4.165 . 0 0 "[ . 1 . 2]" 1
178 1 25 SER HA 1 28 ILE HB . . 5.380 4.682 4.223 5.052 . 0 0 "[ . 1 . 2]" 1
179 1 25 SER HA 1 28 ILE MG . . 5.020 2.252 1.873 2.621 . 0 0 "[ . 1 . 2]" 1
180 1 25 SER HA 1 29 ASN H . . 4.990 4.356 3.879 4.953 . 0 0 "[ . 1 . 2]" 1
181 1 25 SER HA 2 5 VAL QG . . 2.400 2.756 2.541 3.829 1.429 8 3 "[ . + 1 - . *]" 1
182 1 25 SER QB 2 5 VAL QG . . 2.400 1.748 1.676 1.908 . 0 0 "[ . 1 . 2]" 1
183 1 26 LEU H 1 26 LEU HB2 . . 3.600 2.390 2.198 2.627 . 0 0 "[ . 1 . 2]" 1
184 1 26 LEU H 1 26 LEU HB3 . . 3.900 3.552 3.479 3.587 . 0 0 "[ . 1 . 2]" 1
185 1 26 LEU H 1 26 LEU QD . . 2.400 2.149 1.908 2.470 0.070 20 0 "[ . 1 . 2]" 1
186 1 26 LEU H 1 26 LEU HG . . 3.940 3.682 2.025 4.002 0.062 1 0 "[ . 1 . 2]" 1
187 1 26 LEU H 1 27 ASP H . . 3.690 2.623 2.517 2.793 . 0 0 "[ . 1 . 2]" 1
188 1 26 LEU H 1 28 ILE H . . 5.500 4.392 4.260 4.543 . 0 0 "[ . 1 . 2]" 1
189 1 26 LEU HA 1 26 LEU MD1 . . 3.550 2.373 1.997 3.697 0.147 16 0 "[ . 1 . 2]" 1
190 1 26 LEU HA 1 26 LEU QD . . 3.090 2.103 1.964 2.702 . 0 0 "[ . 1 . 2]" 1
191 1 26 LEU HA 1 26 LEU MD2 . . 3.550 2.965 2.101 3.710 0.160 7 0 "[ . 1 . 2]" 1
192 1 26 LEU HA 1 29 ASN H . . 4.290 3.515 3.347 3.883 . 0 0 "[ . 1 . 2]" 1
193 1 26 LEU HA 1 29 ASN QB . . 3.520 2.454 2.109 2.929 . 0 0 "[ . 1 . 2]" 1
194 1 26 LEU HB2 1 26 LEU MD1 . . 3.220 2.986 2.384 3.229 0.009 14 0 "[ . 1 . 2]" 1
195 1 26 LEU HB2 1 26 LEU QD . . 2.390 2.298 2.130 2.378 . 0 0 "[ . 1 . 2]" 1
196 1 26 LEU HB2 1 26 LEU MD2 . . 3.220 2.499 2.311 3.216 . 0 0 "[ . 1 . 2]" 1
197 1 26 LEU HB2 1 27 ASP H . . 3.840 2.913 2.622 3.122 . 0 0 "[ . 1 . 2]" 1
198 1 26 LEU HB3 1 26 LEU QD . . 3.070 2.313 2.074 2.426 . 0 0 "[ . 1 . 2]" 1
199 1 26 LEU HB3 1 27 ASP H . . 4.040 3.723 3.408 3.973 . 0 0 "[ . 1 . 2]" 1
200 1 26 LEU QD 1 27 ASP H . . 4.040 3.923 3.795 4.061 0.021 16 0 "[ . 1 . 2]" 1
201 1 26 LEU QD 1 29 ASN QB . . 3.850 3.384 2.928 3.952 0.102 7 0 "[ . 1 . 2]" 1
202 1 27 ASP H 1 27 ASP HB2 . . 3.750 2.466 2.370 2.573 . 0 0 "[ . 1 . 2]" 1
203 1 27 ASP H 1 27 ASP HB3 . . 3.750 3.630 3.255 3.700 . 0 0 "[ . 1 . 2]" 1
204 1 27 ASP H 1 29 ASN QB . . 5.230 4.622 4.334 4.989 . 0 0 "[ . 1 . 2]" 1
205 1 27 ASP HA 1 28 ILE MG . . 5.500 4.958 4.871 5.051 . 0 0 "[ . 1 . 2]" 1
206 1 27 ASP HA 1 29 ASN H . . 4.770 4.246 4.090 4.462 . 0 0 "[ . 1 . 2]" 1
207 1 27 ASP HA 1 30 ARG H . . 3.900 3.349 3.070 3.790 . 0 0 "[ . 1 . 2]" 1
208 1 27 ASP HA 1 77 VAL QG . . 4.770 3.830 3.459 4.122 . 0 0 "[ . 1 . 2]" 1
209 1 27 ASP QB 1 28 ILE H . . 4.030 2.615 2.241 2.867 . 0 0 "[ . 1 . 2]" 1
210 1 27 ASP QB 1 28 ILE MG . . 4.920 3.924 3.525 4.208 . 0 0 "[ . 1 . 2]" 1
211 1 27 ASP QB 1 73 LEU QD . . 3.600 3.333 2.813 3.621 0.021 11 0 "[ . 1 . 2]" 1
212 1 27 ASP QB 1 76 TYR QE . . 5.340 5.474 5.399 5.545 0.205 1 0 "[ . 1 . 2]" 1
213 1 27 ASP QB 1 77 VAL H . . 5.340 5.244 4.998 5.411 0.071 7 0 "[ . 1 . 2]" 1
214 1 27 ASP HB2 1 77 VAL MG1 . . 4.030 3.100 2.393 3.467 . 0 0 "[ . 1 . 2]" 1
215 1 27 ASP HB2 1 77 VAL MG2 . . 4.030 2.589 2.333 3.149 . 0 0 "[ . 1 . 2]" 1
216 1 27 ASP HB3 1 77 VAL MG1 . . 4.030 2.323 1.974 2.615 . 0 0 "[ . 1 . 2]" 1
217 1 27 ASP HB3 1 77 VAL MG2 . . 4.030 2.405 1.990 2.947 . 0 0 "[ . 1 . 2]" 1
218 1 28 ILE H 1 28 ILE HB . . 3.340 2.801 2.744 2.882 . 0 0 "[ . 1 . 2]" 1
219 1 28 ILE H 1 28 ILE HG12 . . 5.500 4.748 4.701 4.816 . 0 0 "[ . 1 . 2]" 1
220 1 28 ILE H 1 28 ILE MG . . 2.400 2.005 1.924 2.100 . 0 0 "[ . 1 . 2]" 1
221 1 28 ILE H 1 29 ASN H . . 3.590 2.667 2.555 2.812 . 0 0 "[ . 1 . 2]" 1
222 1 28 ILE H 1 29 ASN HA . . 5.500 5.303 5.221 5.410 . 0 0 "[ . 1 . 2]" 1
223 1 28 ILE H 1 29 ASN QB . . 5.500 4.394 4.229 4.599 . 0 0 "[ . 1 . 2]" 1
224 1 28 ILE H 1 30 ARG H . . 5.500 4.017 3.865 4.178 . 0 0 "[ . 1 . 2]" 1
225 1 28 ILE H 1 30 ARG QB . . 5.340 5.097 4.415 5.376 0.036 11 0 "[ . 1 . 2]" 1
226 1 28 ILE H 1 31 LEU H . . 5.040 4.935 4.665 5.152 0.112 11 0 "[ . 1 . 2]" 1
227 1 28 ILE H 1 31 LEU HB2 . . 5.500 5.318 4.861 5.562 0.062 18 0 "[ . 1 . 2]" 1
228 1 28 ILE H 1 31 LEU MD1 . . 5.500 3.933 3.491 4.170 . 0 0 "[ . 1 . 2]" 1
229 1 28 ILE H 1 39 VAL QG . . 5.440 5.231 5.017 5.488 0.048 8 0 "[ . 1 . 2]" 1
230 1 28 ILE H 1 77 VAL QG . . 5.020 3.817 3.197 4.237 . 0 0 "[ . 1 . 2]" 1
231 1 28 ILE HA 1 28 ILE MD . . 2.950 2.232 2.152 2.310 . 0 0 "[ . 1 . 2]" 1
232 1 28 ILE HA 1 28 ILE MG . . 3.240 3.216 3.190 3.244 0.004 1 0 "[ . 1 . 2]" 1
233 1 28 ILE HA 1 30 ARG H . . 4.670 3.706 3.497 3.917 . 0 0 "[ . 1 . 2]" 1
234 1 28 ILE HA 1 31 LEU H . . 4.190 3.133 2.818 3.310 . 0 0 "[ . 1 . 2]" 1
235 1 28 ILE HA 1 31 LEU MD1 . . 3.220 2.128 1.791 2.849 . 0 0 "[ . 1 . 2]" 1
236 1 28 ILE HA 1 31 LEU MD2 . . 4.660 4.119 3.230 4.551 . 0 0 "[ . 1 . 2]" 1
237 1 28 ILE HA 1 31 LEU HG . . 5.080 3.873 2.863 5.146 0.066 15 0 "[ . 1 . 2]" 1
238 1 28 ILE HA 1 73 LEU QD . . 5.440 3.787 3.350 4.293 . 0 0 "[ . 1 . 2]" 1
239 1 28 ILE HA 1 77 VAL MG1 . . 5.500 4.919 3.228 5.581 0.081 6 0 "[ . 1 . 2]" 1
240 1 28 ILE HA 1 77 VAL QG . . 4.340 3.950 3.207 4.356 0.016 10 0 "[ . 1 . 2]" 1
241 1 28 ILE HA 1 77 VAL MG2 . . 5.500 4.629 3.929 5.567 0.067 8 0 "[ . 1 . 2]" 1
242 1 28 ILE HB 1 28 ILE MD . . 2.550 2.454 2.406 2.496 . 0 0 "[ . 1 . 2]" 1
243 1 28 ILE HB 2 9 LEU QD . . 2.400 4.178 4.131 4.231 1.831 17 20 [-***************+***] 1
244 1 28 ILE MD 1 36 LEU HA . . 2.640 2.141 1.917 2.323 . 0 0 "[ . 1 . 2]" 1
245 1 28 ILE MD 1 36 LEU QB . . 2.390 2.224 1.966 2.418 0.028 11 0 "[ . 1 . 2]" 1
246 1 28 ILE MD 2 7 ILE QG . . 4.660 3.644 3.365 4.316 . 0 0 "[ . 1 . 2]" 1
247 1 28 ILE MD 2 9 LEU HA . . 5.330 5.422 5.375 5.464 0.134 13 0 "[ . 1 . 2]" 1
248 1 28 ILE MD 2 9 LEU HG . . 4.000 3.134 2.764 3.413 . 0 0 "[ . 1 . 2]" 1
249 1 28 ILE HG13 1 29 ASN H . . 3.650 3.672 3.619 3.698 0.048 12 0 "[ . 1 . 2]" 1
250 1 28 ILE MG 1 29 ASN H . . 5.500 2.234 2.161 2.369 . 0 0 "[ . 1 . 2]" 1
251 1 28 ILE MG 1 29 ASN HA . . 4.870 3.720 3.590 3.888 . 0 0 "[ . 1 . 2]" 1
252 1 28 ILE MG 1 29 ASN QB . . 4.440 3.342 3.161 3.833 . 0 0 "[ . 1 . 2]" 1
253 1 28 ILE MG 1 39 VAL QG . . 4.480 4.091 3.779 4.367 . 0 0 "[ . 1 . 2]" 1
254 1 28 ILE MG 1 60 ILE HB . . 5.100 3.598 3.137 4.005 . 0 0 "[ . 1 . 2]" 1
255 1 28 ILE MG 1 60 ILE QG . . 5.340 3.641 2.401 3.953 . 0 0 "[ . 1 . 2]" 1
256 1 28 ILE MG 2 7 ILE HA . . 5.500 4.137 3.971 4.576 . 0 0 "[ . 1 . 2]" 1
257 1 28 ILE MG 2 7 ILE HB . . 2.400 2.532 2.435 2.639 0.239 8 0 "[ . 1 . 2]" 1
258 1 28 ILE MG 2 7 ILE QG . . 2.390 2.044 1.715 2.199 . 0 0 "[ . 1 . 2]" 1
259 1 28 ILE MG 2 9 LEU QD . . 3.680 3.134 2.973 3.252 . 0 0 "[ . 1 . 2]" 1
260 1 28 ILE MG 2 9 LEU HG . . 5.500 5.513 5.293 5.581 0.081 6 0 "[ . 1 . 2]" 1
261 1 29 ASN H 1 29 ASN QB . . 3.030 2.256 2.208 2.311 . 0 0 "[ . 1 . 2]" 1
262 1 29 ASN H 1 30 ARG H . . 3.040 2.682 2.517 2.802 . 0 0 "[ . 1 . 2]" 1
263 1 29 ASN HA 1 31 LEU H . . 4.620 4.076 3.812 4.483 . 0 0 "[ . 1 . 2]" 1
264 1 29 ASN QB 1 30 ARG H . . 3.900 2.993 2.718 3.276 . 0 0 "[ . 1 . 2]" 1
265 1 29 ASN QB 1 31 LEU H . . 4.900 4.767 4.671 4.894 . 0 0 "[ . 1 . 2]" 1
266 1 30 ARG H 1 30 ARG QB . . 3.210 2.385 2.124 2.588 . 0 0 "[ . 1 . 2]" 1
267 1 30 ARG H 1 30 ARG QD . . 4.580 3.941 3.277 4.605 0.025 15 0 "[ . 1 . 2]" 1
268 1 30 ARG H 1 31 LEU H . . 2.690 2.313 2.117 2.426 . 0 0 "[ . 1 . 2]" 1
269 1 30 ARG HA 1 30 ARG QD . . 4.340 3.332 2.006 4.278 . 0 0 "[ . 1 . 2]" 1
270 1 30 ARG QB 1 31 LEU H . . 3.670 3.037 2.662 3.396 . 0 0 "[ . 1 . 2]" 1
271 1 30 ARG QG 1 31 LEU H . . 5.150 4.217 3.904 4.600 . 0 0 "[ . 1 . 2]" 1
272 1 31 LEU H 1 31 LEU HB2 . . 3.300 2.292 2.117 2.411 . 0 0 "[ . 1 . 2]" 1
273 1 31 LEU H 1 31 LEU HB3 . . 3.750 3.548 3.411 3.638 . 0 0 "[ . 1 . 2]" 1
274 1 31 LEU H 1 31 LEU MD1 . . 3.510 3.143 2.412 3.576 0.066 3 0 "[ . 1 . 2]" 1
275 1 31 LEU H 1 31 LEU MD2 . . 4.610 3.987 3.682 4.342 . 0 0 "[ . 1 . 2]" 1
276 1 31 LEU H 1 31 LEU HG . . 3.790 3.057 2.292 3.921 0.131 7 0 "[ . 1 . 2]" 1
277 1 31 LEU H 1 32 PRO HD2 . . 5.110 4.838 4.689 5.047 . 0 0 "[ . 1 . 2]" 1
278 1 31 LEU H 1 32 PRO QD . . 4.380 4.351 4.254 4.399 0.019 20 0 "[ . 1 . 2]" 1
279 1 31 LEU H 1 32 PRO HD3 . . 5.110 4.940 4.807 5.134 0.024 15 0 "[ . 1 . 2]" 1
280 1 31 LEU HA 1 31 LEU HB3 . . 2.760 2.592 2.526 2.658 . 0 0 "[ . 1 . 2]" 1
281 1 31 LEU HA 1 31 LEU MD2 . . 4.150 2.645 2.013 3.692 . 0 0 "[ . 1 . 2]" 1
282 1 31 LEU HA 1 31 LEU HG . . 2.400 2.448 2.237 2.602 0.202 13 0 "[ . 1 . 2]" 1
283 1 31 LEU HA 1 32 PRO HB3 . . 4.940 4.868 4.711 4.969 0.029 13 0 "[ . 1 . 2]" 1
284 1 31 LEU HA 1 32 PRO QD . . 2.690 2.046 1.940 2.131 . 0 0 "[ . 1 . 2]" 1
285 1 31 LEU HB2 1 77 VAL QG . . 5.440 4.955 4.311 5.479 0.039 13 0 "[ . 1 . 2]" 1
286 1 31 LEU HB3 1 32 PRO QD . . 4.730 2.485 2.153 2.774 . 0 0 "[ . 1 . 2]" 1
287 1 31 LEU HB3 1 35 LYS HB2 . . 4.760 2.487 2.081 2.866 . 0 0 "[ . 1 . 2]" 1
288 1 31 LEU MD1 1 76 TYR QE . . 3.670 2.335 1.712 3.680 0.010 7 0 "[ . 1 . 2]" 1
289 1 31 LEU MD1 1 77 VAL HA . . 3.830 3.396 2.998 3.883 0.053 10 0 "[ . 1 . 2]" 1
290 1 31 LEU MD1 1 80 CYS HA . . 5.500 5.555 5.125 5.674 0.174 1 0 "[ . 1 . 2]" 1
291 1 31 LEU MD1 1 80 CYS QB . . 4.320 3.211 2.971 3.484 . 0 0 "[ . 1 . 2]" 1
292 1 31 LEU MD2 1 32 PRO HD2 . . 4.350 2.594 2.121 3.366 . 0 0 "[ . 1 . 2]" 1
293 1 31 LEU MD2 1 32 PRO HD3 . . 4.350 3.556 2.792 4.370 0.020 18 0 "[ . 1 . 2]" 1
294 1 31 LEU MD2 1 35 LYS HB2 . . 4.010 3.020 2.591 3.454 . 0 0 "[ . 1 . 2]" 1
295 1 31 LEU MD2 1 35 LYS QG . . 4.450 2.897 2.021 3.942 . 0 0 "[ . 1 . 2]" 1
296 1 31 LEU MD2 1 76 TYR QE . . 2.850 2.444 1.753 2.952 0.102 9 0 "[ . 1 . 2]" 1
297 1 31 LEU MD2 1 77 VAL HA . . 3.660 3.690 3.116 3.817 0.157 13 0 "[ . 1 . 2]" 1
298 1 31 LEU MD2 1 80 CYS H . . 4.860 4.752 4.198 4.946 0.086 1 0 "[ . 1 . 2]" 1
299 1 31 LEU MD2 1 80 CYS HA . . 4.710 4.423 3.708 4.731 0.021 15 0 "[ . 1 . 2]" 1
300 1 31 LEU MD2 1 80 CYS HB2 . . 4.460 2.807 2.193 3.625 . 0 0 "[ . 1 . 2]" 1
301 1 31 LEU MD2 1 80 CYS QB . . 3.920 2.423 2.058 2.673 . 0 0 "[ . 1 . 2]" 1
302 1 31 LEU MD2 1 80 CYS HB3 . . 4.460 2.875 2.170 3.481 . 0 0 "[ . 1 . 2]" 1
303 1 31 LEU HG 1 32 PRO QD . . 5.350 3.464 2.470 4.049 . 0 0 "[ . 1 . 2]" 1
304 1 31 LEU HG 1 76 TYR QE . . 5.500 4.424 4.066 4.836 . 0 0 "[ . 1 . 2]" 1
305 1 32 PRO HB2 1 35 LYS H . . 3.680 3.648 3.109 3.742 0.062 11 0 "[ . 1 . 2]" 1
306 1 32 PRO QD 1 35 LYS H . . 5.350 4.127 3.525 4.528 . 0 0 "[ . 1 . 2]" 1
307 1 32 PRO QD 1 35 LYS HB2 . . 4.350 2.506 2.148 2.899 . 0 0 "[ . 1 . 2]" 1
308 1 32 PRO HG2 1 35 LYS H . . 3.250 3.011 2.633 3.304 0.054 5 0 "[ . 1 . 2]" 1
309 1 33 GLY HA2 1 36 LEU QB . . 5.340 3.637 3.081 4.148 . 0 0 "[ . 1 . 2]" 1
310 1 33 GLY HA2 1 36 LEU MD2 . . 4.240 1.860 1.774 2.002 . 0 0 "[ . 1 . 2]" 1
311 1 33 GLY HA2 1 36 LEU HG . . 4.060 2.567 1.989 3.185 . 0 0 "[ . 1 . 2]" 1
312 1 33 GLY HA3 1 35 LYS H . . 5.500 4.441 4.206 4.665 . 0 0 "[ . 1 . 2]" 1
313 1 33 GLY HA3 1 36 LEU MD2 . . 4.510 3.204 2.991 3.333 . 0 0 "[ . 1 . 2]" 1
314 1 33 GLY HA3 1 36 LEU HG . . 5.490 3.993 3.579 4.453 . 0 0 "[ . 1 . 2]" 1
315 1 34 GLU H 1 35 LYS H . . 4.380 2.602 2.242 2.826 . 0 0 "[ . 1 . 2]" 1
316 1 34 GLU H 1 37 GLY H . . 5.500 5.239 4.944 5.578 0.078 6 0 "[ . 1 . 2]" 1
317 1 34 GLU HA 1 34 GLU QG . . 3.640 3.060 2.440 3.500 . 0 0 "[ . 1 . 2]" 1
318 1 34 GLU HA 1 37 GLY H . . 4.300 3.988 3.374 4.383 0.083 17 0 "[ . 1 . 2]" 1
319 1 34 GLU HA 1 38 ARG H . . 5.490 4.725 4.016 5.343 . 0 0 "[ . 1 . 2]" 1
320 1 34 GLU QG 1 35 LYS H . . 5.340 3.511 2.010 4.590 . 0 0 "[ . 1 . 2]" 1
321 1 35 LYS H 1 35 LYS HB2 . . 3.460 2.397 2.253 2.526 . 0 0 "[ . 1 . 2]" 1
322 1 35 LYS H 1 35 LYS HB3 . . 3.990 3.606 3.466 3.679 . 0 0 "[ . 1 . 2]" 1
323 1 35 LYS H 1 35 LYS QG . . 3.920 3.049 2.369 3.933 0.013 12 0 "[ . 1 . 2]" 1
324 1 35 LYS H 1 36 LEU H . . 3.350 2.366 2.138 2.559 . 0 0 "[ . 1 . 2]" 1
325 1 35 LYS H 1 36 LEU MD2 . . 4.690 4.540 4.159 4.704 0.014 11 0 "[ . 1 . 2]" 1
326 1 35 LYS H 1 36 LEU HG . . 4.860 4.168 3.728 4.556 . 0 0 "[ . 1 . 2]" 1
327 1 35 LYS H 1 37 GLY H . . 4.370 4.053 3.780 4.391 0.021 16 0 "[ . 1 . 2]" 1
328 1 35 LYS HA 1 76 TYR QE . . 5.240 4.670 4.208 5.229 . 0 0 "[ . 1 . 2]" 1
329 1 35 LYS HB2 1 36 LEU H . . 4.410 2.947 2.600 3.283 . 0 0 "[ . 1 . 2]" 1
330 1 35 LYS HB2 1 36 LEU HA . . 5.110 4.548 4.205 4.947 . 0 0 "[ . 1 . 2]" 1
331 1 35 LYS HB2 1 76 TYR QE . . 5.500 4.862 4.487 5.131 . 0 0 "[ . 1 . 2]" 1
332 1 35 LYS HB3 1 36 LEU H . . 3.780 3.675 3.253 3.839 0.059 2 0 "[ . 1 . 2]" 1
333 1 35 LYS HB3 1 76 TYR QE . . 5.060 3.479 3.055 3.878 . 0 0 "[ . 1 . 2]" 1
334 1 36 LEU H 1 36 LEU QB . . 3.460 2.379 2.263 2.461 . 0 0 "[ . 1 . 2]" 1
335 1 36 LEU H 1 36 LEU MD2 . . 4.270 3.268 2.987 3.448 . 0 0 "[ . 1 . 2]" 1
336 1 36 LEU H 1 36 LEU HG . . 3.720 2.560 2.226 2.887 . 0 0 "[ . 1 . 2]" 1
337 1 36 LEU H 1 37 GLY H . . 3.690 2.729 2.498 2.930 . 0 0 "[ . 1 . 2]" 1
338 1 36 LEU H 2 9 LEU HG . . 4.560 4.598 4.499 4.668 0.108 5 0 "[ . 1 . 2]" 1
339 1 36 LEU HA 1 36 LEU MD1 . . 3.650 3.632 3.555 3.695 0.045 16 0 "[ . 1 . 2]" 1
340 1 36 LEU HA 1 36 LEU MD2 . . 4.350 4.112 4.045 4.159 . 0 0 "[ . 1 . 2]" 1
341 1 36 LEU HA 1 39 VAL H . . 4.450 3.622 3.418 3.770 . 0 0 "[ . 1 . 2]" 1
342 1 36 LEU HA 1 39 VAL HB . . 4.420 3.985 3.292 4.433 0.013 1 0 "[ . 1 . 2]" 1
343 1 36 LEU HA 1 39 VAL MG1 . . 4.540 2.523 1.966 4.443 . 0 0 "[ . 1 . 2]" 1
344 1 36 LEU HA 1 39 VAL QG . . 3.860 2.128 1.963 2.691 . 0 0 "[ . 1 . 2]" 1
345 1 36 LEU HA 1 39 VAL MG2 . . 4.540 4.148 2.248 4.653 0.113 2 0 "[ . 1 . 2]" 1
346 1 36 LEU HA 2 9 LEU QD . . 4.310 3.887 3.734 4.020 . 0 0 "[ . 1 . 2]" 1
347 1 36 LEU QB 1 36 LEU MD1 . . 3.180 2.245 2.159 2.302 . 0 0 "[ . 1 . 2]" 1
348 1 36 LEU QB 2 9 LEU QD . . 2.390 2.426 2.367 2.481 0.091 15 0 "[ . 1 . 2]" 1
349 1 36 LEU MD1 1 37 GLY H . . 5.420 2.739 2.225 3.096 . 0 0 "[ . 1 . 2]" 1
350 1 36 LEU MD1 2 9 LEU QB . . 2.400 2.123 1.900 2.213 . 0 0 "[ . 1 . 2]" 1
351 1 36 LEU MD1 2 9 LEU HG . . 3.220 2.819 2.506 2.975 . 0 0 "[ . 1 . 2]" 1
352 1 36 LEU MD2 2 9 LEU QB . . 2.400 1.753 1.707 1.813 . 0 0 "[ . 1 . 2]" 1
353 1 37 GLY H 2 9 LEU HG . . 5.500 5.490 5.358 5.563 0.063 18 0 "[ . 1 . 2]" 1
354 1 37 GLY QA 1 40 VAL HB . . 4.200 3.309 2.732 4.040 . 0 0 "[ . 1 . 2]" 1
355 1 37 GLY QA 1 40 VAL MG1 . . 4.020 3.187 2.092 4.128 0.108 7 0 "[ . 1 . 2]" 1
356 1 38 ARG H 1 40 VAL HB . . 5.500 5.380 5.080 5.626 0.126 18 0 "[ . 1 . 2]" 1
357 1 38 ARG HA 1 38 ARG HD2 . . 5.010 4.551 3.758 4.715 . 0 0 "[ . 1 . 2]" 1
358 1 38 ARG HA 1 38 ARG QD . . 4.340 3.902 2.171 4.270 . 0 0 "[ . 1 . 2]" 1
359 1 38 ARG HA 1 38 ARG HD3 . . 5.010 4.337 2.184 4.903 . 0 0 "[ . 1 . 2]" 1
360 1 38 ARG HA 1 41 HIS H . . 3.980 3.692 3.452 3.889 . 0 0 "[ . 1 . 2]" 1
361 1 38 ARG HA 1 41 HIS QB . . 5.500 3.076 2.562 3.406 . 0 0 "[ . 1 . 2]" 1
362 1 38 ARG HA 1 42 ILE H . . 4.660 4.567 4.140 4.747 0.087 18 0 "[ . 1 . 2]" 1
363 1 38 ARG QB 1 39 VAL H . . 4.420 2.367 2.180 2.668 . 0 0 "[ . 1 . 2]" 1
364 1 38 ARG QB 1 39 VAL QG . . 4.100 3.650 2.921 4.097 . 0 0 "[ . 1 . 2]" 1
365 1 38 ARG QB 1 40 VAL H . . 5.320 4.666 4.570 4.886 . 0 0 "[ . 1 . 2]" 1
366 1 38 ARG QB 1 41 HIS QB . . 4.930 4.554 4.034 4.995 0.065 18 0 "[ . 1 . 2]" 1
367 1 38 ARG QB 1 76 TYR QE . . 3.970 3.311 2.617 3.997 0.027 16 0 "[ . 1 . 2]" 1
368 1 38 ARG QD 1 76 TYR QE . . 4.100 3.406 2.068 4.197 0.097 1 0 "[ . 1 . 2]" 1
369 1 38 ARG HD2 1 76 TYR QE . . 4.830 3.823 2.101 4.836 0.006 16 0 "[ . 1 . 2]" 1
370 1 38 ARG HD3 1 76 TYR QE . . 4.830 4.102 2.691 4.846 0.016 15 0 "[ . 1 . 2]" 1
371 1 39 VAL H 1 39 VAL HB . . 3.290 2.572 2.398 2.760 . 0 0 "[ . 1 . 2]" 1
372 1 39 VAL H 1 39 VAL QG . . 3.830 2.059 1.813 2.305 . 0 0 "[ . 1 . 2]" 1
373 1 39 VAL H 1 40 VAL HB . . 5.010 4.857 4.642 4.986 . 0 0 "[ . 1 . 2]" 1
374 1 39 VAL H 1 76 TYR QE . . 4.800 3.993 3.624 4.291 . 0 0 "[ . 1 . 2]" 1
375 1 39 VAL HA 1 39 VAL MG1 . . 3.530 3.044 2.323 3.240 . 0 0 "[ . 1 . 2]" 1
376 1 39 VAL HA 1 39 VAL QG . . 3.020 2.269 2.152 2.370 . 0 0 "[ . 1 . 2]" 1
377 1 39 VAL HA 1 39 VAL MG2 . . 3.530 2.389 2.282 2.571 . 0 0 "[ . 1 . 2]" 1
378 1 39 VAL HA 1 42 ILE H . . 3.360 3.177 3.042 3.378 0.018 7 0 "[ . 1 . 2]" 1
379 1 39 VAL HA 1 42 ILE HB . . 3.290 2.632 2.153 2.965 . 0 0 "[ . 1 . 2]" 1
380 1 39 VAL HA 1 42 ILE MD . . 2.870 2.874 2.701 2.953 0.083 7 0 "[ . 1 . 2]" 1
381 1 39 VAL HA 1 43 ILE H . . 3.620 3.712 3.647 3.765 0.145 6 0 "[ . 1 . 2]" 1
382 1 39 VAL HA 1 43 ILE MD . . 3.780 3.635 3.384 3.809 0.029 18 0 "[ . 1 . 2]" 1
383 1 39 VAL HA 1 43 ILE HG12 . . 4.810 3.557 3.220 3.868 . 0 0 "[ . 1 . 2]" 1
384 1 39 VAL HA 1 73 LEU QD . . 4.910 4.624 3.936 4.955 0.045 10 0 "[ . 1 . 2]" 1
385 1 39 VAL HA 1 76 TYR QE . . 4.760 3.474 3.079 3.788 . 0 0 "[ . 1 . 2]" 1
386 1 39 VAL HB 1 40 VAL H . . 3.990 3.654 2.219 4.016 0.026 10 0 "[ . 1 . 2]" 1
387 1 39 VAL HB 1 41 HIS H . . 5.500 5.386 4.679 5.635 0.135 5 0 "[ . 1 . 2]" 1
388 1 39 VAL HB 1 42 ILE MD . . 5.500 4.833 4.018 5.402 . 0 0 "[ . 1 . 2]" 1
389 1 39 VAL HB 1 43 ILE MD . . 4.620 4.516 4.359 4.683 0.063 6 0 "[ . 1 . 2]" 1
390 1 39 VAL QG 1 40 VAL H . . 4.350 2.356 1.986 3.229 . 0 0 "[ . 1 . 2]" 1
391 1 39 VAL QG 1 42 ILE H . . 4.650 4.175 4.010 4.357 . 0 0 "[ . 1 . 2]" 1
392 1 39 VAL QG 1 42 ILE MD . . 4.410 4.043 3.746 4.196 . 0 0 "[ . 1 . 2]" 1
393 1 39 VAL QG 1 42 ILE MG . . 4.200 3.844 3.341 4.180 . 0 0 "[ . 1 . 2]" 1
394 1 39 VAL QG 1 43 ILE H . . 4.260 3.517 3.405 3.683 . 0 0 "[ . 1 . 2]" 1
395 1 39 VAL QG 1 43 ILE MD . . 2.540 2.180 2.071 2.277 . 0 0 "[ . 1 . 2]" 1
396 1 39 VAL QG 1 43 ILE HG12 . . 4.310 2.117 1.957 2.404 . 0 0 "[ . 1 . 2]" 1
397 1 39 VAL QG 1 44 GLN H . . 5.440 5.161 4.837 5.404 . 0 0 "[ . 1 . 2]" 1
398 1 39 VAL QG 1 60 ILE MD . . 4.660 3.201 2.680 3.603 . 0 0 "[ . 1 . 2]" 1
399 1 39 VAL QG 1 73 LEU H . . 5.440 5.173 5.030 5.383 . 0 0 "[ . 1 . 2]" 1
400 1 39 VAL QG 1 73 LEU QD . . 4.010 1.939 1.730 2.140 . 0 0 "[ . 1 . 2]" 1
401 1 39 VAL QG 1 76 TYR HB3 . . 4.950 3.263 2.909 3.740 . 0 0 "[ . 1 . 2]" 1
402 1 39 VAL QG 1 76 TYR QD . . 3.550 2.818 2.643 3.113 . 0 0 "[ . 1 . 2]" 1
403 1 39 VAL QG 1 76 TYR QE . . 3.280 2.868 2.561 3.266 . 0 0 "[ . 1 . 2]" 1
404 1 39 VAL MG1 1 43 ILE H . . 5.500 4.682 3.614 5.135 . 0 0 "[ . 1 . 2]" 1
405 1 39 VAL MG2 1 43 ILE H . . 5.500 3.957 3.476 5.498 . 0 0 "[ . 1 . 2]" 1
406 1 40 VAL H 1 40 VAL HB . . 3.570 2.348 2.211 2.503 . 0 0 "[ . 1 . 2]" 1
407 1 40 VAL H 1 40 VAL MG2 . . 3.690 3.036 2.155 3.724 0.034 10 0 "[ . 1 . 2]" 1
408 1 40 VAL H 1 41 HIS H . . 4.070 2.619 2.500 2.768 . 0 0 "[ . 1 . 2]" 1
409 1 40 VAL HA 1 40 VAL MG1 . . 3.680 2.928 2.508 3.249 . 0 0 "[ . 1 . 2]" 1
410 1 40 VAL HA 1 40 VAL MG2 . . 3.650 2.251 2.152 2.300 . 0 0 "[ . 1 . 2]" 1
411 1 40 VAL HA 1 44 GLN H . . 4.090 3.932 3.641 4.196 0.106 5 0 "[ . 1 . 2]" 1
412 1 40 VAL HA 1 58 ILE MD . . 5.000 4.633 4.134 5.043 0.043 5 0 "[ . 1 . 2]" 1
413 1 40 VAL HB 1 41 HIS H . . 3.760 3.490 2.891 3.841 0.081 15 0 "[ . 1 . 2]" 1
414 1 40 VAL HB 1 58 ILE MD . . 4.420 3.342 2.404 4.463 0.043 19 0 "[ . 1 . 2]" 1
415 1 40 VAL HB 1 58 ILE MG . . 5.140 4.936 4.440 5.281 0.141 14 0 "[ . 1 . 2]" 1
416 1 40 VAL MG1 1 41 HIS H . . 4.220 2.929 2.356 3.740 . 0 0 "[ . 1 . 2]" 1
417 1 40 VAL MG1 1 41 HIS HA . . 4.150 3.292 2.957 3.643 . 0 0 "[ . 1 . 2]" 1
418 1 40 VAL MG1 1 43 ILE H . . 5.500 5.264 4.958 5.408 . 0 0 "[ . 1 . 2]" 1
419 1 40 VAL MG1 1 44 GLN H . . 5.430 4.675 4.258 5.098 . 0 0 "[ . 1 . 2]" 1
420 1 40 VAL MG1 1 44 GLN HE21 . . 4.300 2.909 2.231 4.037 . 0 0 "[ . 1 . 2]" 1
421 1 40 VAL MG1 1 44 GLN HE22 . . 4.530 3.077 2.189 4.437 . 0 0 "[ . 1 . 2]" 1
422 1 40 VAL MG1 1 44 GLN QG . . 4.770 4.416 3.000 4.920 0.150 3 0 "[ . 1 . 2]" 1
423 1 40 VAL MG2 1 41 HIS H . . 4.230 4.044 3.896 4.223 . 0 0 "[ . 1 . 2]" 1
424 1 40 VAL MG2 1 44 GLN H . . 5.500 4.828 3.917 5.571 0.071 7 0 "[ . 1 . 2]" 1
425 1 41 HIS H 1 41 HIS QB . . 3.190 2.344 2.262 2.503 . 0 0 "[ . 1 . 2]" 1
426 1 41 HIS H 1 42 ILE H . . 3.200 2.472 2.338 2.552 . 0 0 "[ . 1 . 2]" 1
427 1 41 HIS H 1 43 ILE MD . . 5.500 5.578 5.516 5.637 0.137 19 0 "[ . 1 . 2]" 1
428 1 41 HIS HA 1 44 GLN H . . 4.180 3.608 3.191 4.187 0.007 19 0 "[ . 1 . 2]" 1
429 1 41 HIS HA 1 44 GLN QB . . 4.020 2.800 2.124 3.741 . 0 0 "[ . 1 . 2]" 1
430 1 41 HIS HA 1 44 GLN HE21 . . 3.570 3.367 2.468 3.795 0.225 18 0 "[ . 1 . 2]" 1
431 1 41 HIS HA 1 44 GLN QG . . 4.790 3.649 1.852 4.819 0.029 19 0 "[ . 1 . 2]" 1
432 1 41 HIS QB 1 42 ILE H . . 3.810 2.662 2.465 2.868 . 0 0 "[ . 1 . 2]" 1
433 1 42 ILE H 1 42 ILE HB . . 3.410 2.390 2.256 2.478 . 0 0 "[ . 1 . 2]" 1
434 1 42 ILE H 1 42 ILE MD . . 3.970 2.288 2.085 3.752 . 0 0 "[ . 1 . 2]" 1
435 1 42 ILE H 1 43 ILE H . . 3.480 2.625 2.525 2.736 . 0 0 "[ . 1 . 2]" 1
436 1 42 ILE H 1 43 ILE MD . . 4.200 4.258 4.222 4.310 0.110 18 0 "[ . 1 . 2]" 1
437 1 42 ILE H 1 43 ILE HG12 . . 4.200 4.104 4.001 4.212 0.012 19 0 "[ . 1 . 2]" 1
438 1 42 ILE HA 1 42 ILE MD . . 3.230 2.798 2.524 3.526 0.296 5 0 "[ . 1 . 2]" 1
439 1 42 ILE HA 1 42 ILE QG . . 3.140 2.419 2.114 2.471 . 0 0 "[ . 1 . 2]" 1
440 1 42 ILE HA 1 42 ILE MG . . 3.010 2.637 2.557 2.709 . 0 0 "[ . 1 . 2]" 1
441 1 42 ILE HA 1 43 ILE MD . . 4.700 4.523 4.367 4.646 . 0 0 "[ . 1 . 2]" 1
442 1 42 ILE HA 1 45 SER H . . 4.930 3.659 3.195 4.125 . 0 0 "[ . 1 . 2]" 1
443 1 42 ILE HA 1 45 SER QB . . 4.350 3.307 2.422 4.343 . 0 0 "[ . 1 . 2]" 1
444 1 42 ILE HA 1 72 GLU QG . . 5.270 4.973 4.603 5.267 . 0 0 "[ . 1 . 2]" 1
445 1 42 ILE HB 1 42 ILE MD . . 3.060 2.421 2.341 2.482 . 0 0 "[ . 1 . 2]" 1
446 1 42 ILE HB 1 42 ILE QG . . 2.520 2.393 2.279 2.418 . 0 0 "[ . 1 . 2]" 1
447 1 42 ILE HB 1 43 ILE H . . 2.630 2.620 2.508 2.693 0.063 18 0 "[ . 1 . 2]" 1
448 1 42 ILE HB 1 43 ILE MD . . 3.270 2.896 2.658 3.215 . 0 0 "[ . 1 . 2]" 1
449 1 42 ILE MD 1 43 ILE H . . 5.500 4.096 3.953 4.601 . 0 0 "[ . 1 . 2]" 1
450 1 42 ILE QG 1 43 ILE H . . 5.340 4.460 4.020 4.519 . 0 0 "[ . 1 . 2]" 1
451 1 42 ILE QG 1 76 TYR QD . . 5.340 3.515 2.389 4.440 . 0 0 "[ . 1 . 2]" 1
452 1 42 ILE MG 1 43 ILE H . . 2.950 2.964 2.914 3.008 0.058 5 0 "[ . 1 . 2]" 1
453 1 42 ILE MG 1 43 ILE HA . . 4.480 3.019 2.898 3.220 . 0 0 "[ . 1 . 2]" 1
454 1 42 ILE MG 1 44 GLN H . . 5.260 4.721 4.528 4.922 . 0 0 "[ . 1 . 2]" 1
455 1 42 ILE MG 1 45 SER QB . . 4.600 3.937 3.324 4.663 0.063 3 0 "[ . 1 . 2]" 1
456 1 42 ILE MG 1 72 GLU QG . . 3.930 2.239 2.015 2.536 . 0 0 "[ . 1 . 2]" 1
457 1 43 ILE H 1 43 ILE MD . . 5.170 2.402 2.292 2.468 . 0 0 "[ . 1 . 2]" 1
458 1 43 ILE H 1 43 ILE HG12 . . 3.640 2.071 1.962 2.191 . 0 0 "[ . 1 . 2]" 1
459 1 43 ILE H 1 43 ILE HG13 . . 3.710 3.618 3.517 3.716 0.006 18 0 "[ . 1 . 2]" 1
460 1 43 ILE H 1 44 GLN H . . 3.420 2.665 2.529 2.792 . 0 0 "[ . 1 . 2]" 1
461 1 43 ILE H 1 72 GLU QG . . 4.200 4.183 3.976 4.276 0.076 12 0 "[ . 1 . 2]" 1
462 1 43 ILE HA 1 43 ILE MD . . 3.380 2.319 2.121 2.440 . 0 0 "[ . 1 . 2]" 1
463 1 43 ILE HA 1 43 ILE HG12 . . 3.710 3.474 3.411 3.520 . 0 0 "[ . 1 . 2]" 1
464 1 43 ILE HA 1 43 ILE MG . . 3.390 2.270 2.163 2.352 . 0 0 "[ . 1 . 2]" 1
465 1 43 ILE HA 1 45 SER H . . 5.490 3.801 3.548 4.219 . 0 0 "[ . 1 . 2]" 1
466 1 43 ILE HA 1 46 ARG H . . 4.500 3.760 3.412 4.236 . 0 0 "[ . 1 . 2]" 1
467 1 43 ILE HA 1 47 GLU H . . 5.290 4.936 4.292 5.371 0.081 1 0 "[ . 1 . 2]" 1
468 1 43 ILE HA 1 69 THR MG . . 3.730 3.644 3.395 3.847 0.117 8 0 "[ . 1 . 2]" 1
469 1 43 ILE HA 1 72 GLU QG . . 4.340 2.510 2.169 2.782 . 0 0 "[ . 1 . 2]" 1
470 1 43 ILE HA 1 73 LEU QD . . 5.440 5.322 4.676 5.528 0.088 6 0 "[ . 1 . 2]" 1
471 1 43 ILE MD 1 43 ILE MG . . 3.380 2.151 2.083 2.216 . 0 0 "[ . 1 . 2]" 1
472 1 43 ILE MD 1 46 ARG QD . . 4.180 4.144 3.694 4.325 0.145 18 0 "[ . 1 . 2]" 1
473 1 43 ILE MD 1 62 PHE QE . . 5.500 4.644 3.956 5.370 . 0 0 "[ . 1 . 2]" 1
474 1 43 ILE MD 1 72 GLU H . . 5.500 4.445 4.060 4.738 . 0 0 "[ . 1 . 2]" 1
475 1 43 ILE MD 1 72 GLU QG . . 3.450 2.135 1.877 2.385 . 0 0 "[ . 1 . 2]" 1
476 1 43 ILE MD 1 73 LEU H . . 5.070 3.031 2.737 3.403 . 0 0 "[ . 1 . 2]" 1
477 1 43 ILE MD 1 73 LEU HA . . 4.230 2.370 2.120 2.599 . 0 0 "[ . 1 . 2]" 1
478 1 43 ILE MD 1 73 LEU QD . . 3.680 2.618 2.164 3.118 . 0 0 "[ . 1 . 2]" 1
479 1 43 ILE MD 1 75 ARG H . . 5.470 5.410 5.116 5.532 0.062 19 0 "[ . 1 . 2]" 1
480 1 43 ILE MD 1 76 TYR H . . 4.740 4.411 4.050 4.587 . 0 0 "[ . 1 . 2]" 1
481 1 43 ILE MD 1 76 TYR HA . . 5.500 5.228 4.926 5.454 . 0 0 "[ . 1 . 2]" 1
482 1 43 ILE MD 1 76 TYR HB2 . . 4.240 3.160 2.838 3.403 . 0 0 "[ . 1 . 2]" 1
483 1 43 ILE MD 1 76 TYR HB3 . . 3.730 3.559 3.271 3.763 0.033 14 0 "[ . 1 . 2]" 1
484 1 43 ILE MD 1 76 TYR QD . . 3.990 3.933 3.574 4.011 0.021 9 0 "[ . 1 . 2]" 1
485 1 43 ILE MD 1 76 TYR QE . . 5.220 5.079 4.699 5.272 0.052 14 0 "[ . 1 . 2]" 1
486 1 43 ILE HG12 1 43 ILE MG . . 3.220 3.177 3.160 3.198 . 0 0 "[ . 1 . 2]" 1
487 1 43 ILE HG12 1 76 TYR QD . . 5.500 5.514 5.200 5.573 0.073 7 0 "[ . 1 . 2]" 1
488 1 43 ILE HG13 1 43 ILE MG . . 3.490 2.241 2.216 2.298 . 0 0 "[ . 1 . 2]" 1
489 1 43 ILE HG13 1 44 GLN H . . 5.500 5.020 4.823 5.192 . 0 0 "[ . 1 . 2]" 1
490 1 43 ILE MG 1 44 GLN H . . 4.430 3.860 3.565 4.044 . 0 0 "[ . 1 . 2]" 1
491 1 43 ILE MG 1 46 ARG H . . 4.600 4.283 3.913 4.616 0.016 1 0 "[ . 1 . 2]" 1
492 1 43 ILE MG 1 46 ARG QD . . 3.940 3.724 3.162 4.049 0.109 6 0 "[ . 1 . 2]" 1
493 1 43 ILE MG 1 47 GLU QG . . 4.460 3.707 2.298 4.492 0.032 7 0 "[ . 1 . 2]" 1
494 1 43 ILE MG 1 69 THR HA . . 4.650 3.931 3.203 4.340 . 0 0 "[ . 1 . 2]" 1
495 1 43 ILE MG 1 69 THR MG . . 2.920 1.968 1.871 2.115 . 0 0 "[ . 1 . 2]" 1
496 1 43 ILE MG 1 72 GLU HB2 . . 3.880 3.898 3.680 3.951 0.071 9 0 "[ . 1 . 2]" 1
497 1 43 ILE MG 1 72 GLU HB3 . . 3.320 2.706 2.441 2.908 . 0 0 "[ . 1 . 2]" 1
498 1 43 ILE MG 1 72 GLU QG . . 4.660 3.253 2.847 3.696 . 0 0 "[ . 1 . 2]" 1
499 1 43 ILE MG 1 73 LEU H . . 4.330 3.803 3.499 4.359 0.029 14 0 "[ . 1 . 2]" 1
500 1 43 ILE MG 1 73 LEU HA . . 4.860 4.551 4.115 4.866 0.006 12 0 "[ . 1 . 2]" 1
501 1 43 ILE MG 1 73 LEU QB . . 5.340 3.348 2.853 4.341 . 0 0 "[ . 1 . 2]" 1
502 1 44 GLN H 1 44 GLN HB2 . . 3.750 2.636 2.139 3.647 . 0 0 "[ . 1 . 2]" 1
503 1 44 GLN H 1 44 GLN QB . . 3.040 2.261 2.116 2.691 . 0 0 "[ . 1 . 2]" 1
504 1 44 GLN H 1 44 GLN HB3 . . 3.750 2.717 2.268 3.671 . 0 0 "[ . 1 . 2]" 1
505 1 44 GLN H 1 44 GLN HE21 . . 5.500 3.877 3.326 4.607 . 0 0 "[ . 1 . 2]" 1
506 1 44 GLN H 1 44 GLN QG . . 4.140 3.412 1.883 4.074 . 0 0 "[ . 1 . 2]" 1
507 1 44 GLN H 1 45 SER H . . 3.920 2.644 2.433 2.827 . 0 0 "[ . 1 . 2]" 1
508 1 44 GLN H 1 45 SER HA . . 5.340 5.155 4.871 5.343 0.003 3 0 "[ . 1 . 2]" 1
509 1 44 GLN H 1 46 ARG H . . 4.850 4.183 3.953 4.471 . 0 0 "[ . 1 . 2]" 1
510 1 44 GLN H 1 47 GLU H . . 5.340 5.042 4.492 5.436 0.096 6 0 "[ . 1 . 2]" 1
511 1 44 GLN H 1 50 LEU MD1 . . 5.500 4.176 3.094 5.602 0.102 1 0 "[ . 1 . 2]" 1
512 1 44 GLN H 1 50 LEU MD2 . . 5.500 4.149 2.570 5.552 0.052 10 0 "[ . 1 . 2]" 1
513 1 44 GLN H 1 69 THR MG . . 5.500 5.382 4.989 5.615 0.115 9 0 "[ . 1 . 2]" 1
514 1 44 GLN HA 1 44 GLN HE21 . . 4.700 4.063 3.008 4.737 0.037 18 0 "[ . 1 . 2]" 1
515 1 44 GLN HA 1 46 ARG H . . 4.490 3.580 3.098 3.868 . 0 0 "[ . 1 . 2]" 1
516 1 44 GLN HA 1 50 LEU QD . . 2.910 2.264 1.802 3.041 0.131 1 0 "[ . 1 . 2]" 1
517 1 44 GLN QB 1 44 GLN HE21 . . 3.910 1.946 1.564 3.664 . 0 0 "[ . 1 . 2]" 1
518 1 44 GLN QB 1 44 GLN HE22 . . 4.160 3.276 3.012 4.178 0.018 18 0 "[ . 1 . 2]" 1
519 1 44 GLN QB 1 45 SER H . . 3.930 3.138 2.548 3.823 . 0 0 "[ . 1 . 2]" 1
520 1 44 GLN HE21 1 50 LEU MD1 . . 4.730 3.556 2.720 4.863 0.133 7 0 "[ . 1 . 2]" 1
521 1 44 GLN HE21 1 50 LEU MD2 . . 4.730 3.003 1.674 4.751 0.021 14 0 "[ . 1 . 2]" 1
522 1 44 GLN HE21 1 50 LEU HG . . 5.500 4.278 3.261 5.157 . 0 0 "[ . 1 . 2]" 1
523 1 44 GLN HE21 1 51 ARG HA . . 5.500 5.297 4.045 5.774 0.274 1 0 "[ . 1 . 2]" 1
524 1 44 GLN HE21 1 51 ARG QG . . 5.340 4.140 2.671 4.978 . 0 0 "[ . 1 . 2]" 1
525 1 44 GLN HE21 1 55 PRO HB3 . . 5.500 4.619 3.228 5.634 0.134 5 0 "[ . 1 . 2]" 1
526 1 44 GLN HE22 1 50 LEU MD1 . . 5.030 4.233 2.452 5.198 0.168 7 0 "[ . 1 . 2]" 1
527 1 44 GLN HE22 1 50 LEU QD . . 3.910 3.176 2.414 3.982 0.072 2 0 "[ . 1 . 2]" 1
528 1 44 GLN HE22 1 50 LEU MD2 . . 5.030 3.660 2.471 5.049 0.019 2 0 "[ . 1 . 2]" 1
529 1 44 GLN HE22 1 50 LEU HG . . 5.500 4.764 3.338 5.657 0.157 5 0 "[ . 1 . 2]" 1
530 1 44 GLN HE22 1 51 ARG HA . . 5.480 4.860 3.608 5.495 0.015 5 0 "[ . 1 . 2]" 1
531 1 44 GLN HE22 1 51 ARG QG . . 5.340 4.068 1.924 5.384 0.044 20 0 "[ . 1 . 2]" 1
532 1 44 GLN HE22 1 55 PRO HB3 . . 5.110 3.765 2.448 5.169 0.059 12 0 "[ . 1 . 2]" 1
533 1 44 GLN QG 1 45 SER H . . 4.930 3.875 2.861 4.805 . 0 0 "[ . 1 . 2]" 1
534 1 44 GLN QG 1 45 SER HA . . 5.340 4.177 3.265 5.526 0.186 1 0 "[ . 1 . 2]" 1
535 1 44 GLN QG 1 50 LEU QD . . 4.060 2.668 1.780 3.613 . 0 0 "[ . 1 . 2]" 1
536 1 44 GLN QG 1 51 ARG HA . . 5.340 4.364 2.867 5.568 0.228 7 0 "[ . 1 . 2]" 1
537 1 45 SER H 1 46 ARG H . . 3.720 2.481 2.275 2.724 . 0 0 "[ . 1 . 2]" 1
538 1 45 SER HA 1 46 ARG QG . . 5.500 4.940 4.386 5.413 . 0 0 "[ . 1 . 2]" 1
539 1 45 SER HB2 1 46 ARG H . . 4.710 3.589 2.924 4.246 . 0 0 "[ . 1 . 2]" 1
540 1 45 SER HB3 1 46 ARG H . . 4.710 3.876 2.956 4.253 . 0 0 "[ . 1 . 2]" 1
541 1 46 ARG H 1 46 ARG QB . . 2.800 2.515 2.370 2.885 0.085 9 0 "[ . 1 . 2]" 1
542 1 46 ARG H 1 46 ARG QD . . 4.420 3.977 2.446 4.325 . 0 0 "[ . 1 . 2]" 1
543 1 46 ARG H 1 46 ARG QG . . 3.680 2.588 2.206 3.683 0.003 20 0 "[ . 1 . 2]" 1
544 1 46 ARG H 1 47 GLU H . . 2.550 2.303 1.946 2.523 . 0 0 "[ . 1 . 2]" 1
545 1 46 ARG H 1 47 GLU HA . . 5.140 4.853 4.635 5.047 . 0 0 "[ . 1 . 2]" 1
546 1 46 ARG H 1 69 THR MG . . 5.190 4.125 3.472 4.777 . 0 0 "[ . 1 . 2]" 1
547 1 46 ARG HA 1 46 ARG QD . . 4.380 4.032 3.109 4.451 0.071 10 0 "[ . 1 . 2]" 1
548 1 46 ARG HA 1 69 THR MG . . 5.500 4.833 4.178 5.560 0.060 9 0 "[ . 1 . 2]" 1
549 1 46 ARG QB 1 46 ARG QD . . 2.670 2.263 2.084 2.450 . 0 0 "[ . 1 . 2]" 1
550 1 46 ARG QD 1 69 THR HA . . 3.730 3.008 1.976 3.830 0.100 20 0 "[ . 1 . 2]" 1
551 1 46 ARG QD 1 69 THR MG . . 3.960 2.978 1.874 3.945 . 0 0 "[ . 1 . 2]" 1
552 1 47 GLU H 1 50 LEU QD . . 4.450 3.888 3.053 4.545 0.095 10 0 "[ . 1 . 2]" 1
553 1 47 GLU H 1 69 THR MG . . 3.870 3.475 2.992 3.886 0.016 10 0 "[ . 1 . 2]" 1
554 1 47 GLU HA 1 49 SER H . . 4.850 3.640 3.118 4.602 . 0 0 "[ . 1 . 2]" 1
555 1 47 GLU QB 1 49 SER H . . 4.070 3.137 2.506 4.237 0.167 10 0 "[ . 1 . 2]" 1
556 1 47 GLU QB 1 69 THR MG . . 3.560 2.838 1.925 3.625 0.065 5 0 "[ . 1 . 2]" 1
557 1 47 GLU QG 1 48 PRO QD . . 5.270 3.842 2.184 4.579 . 0 0 "[ . 1 . 2]" 1
558 1 47 GLU QG 1 65 LEU QD . . 3.670 2.177 1.757 3.461 . 0 0 "[ . 1 . 2]" 1
559 1 47 GLU QG 1 66 LYS H . . 5.500 4.795 3.361 5.627 0.127 5 0 "[ . 1 . 2]" 1
560 1 47 GLU QG 1 69 THR MG . . 3.340 2.184 1.820 3.206 . 0 0 "[ . 1 . 2]" 1
561 1 49 SER H 1 50 LEU H . . 4.830 2.773 2.383 3.394 . 0 0 "[ . 1 . 2]" 1
562 1 49 SER QB 1 50 LEU H . . 3.600 2.948 2.408 3.568 . 0 0 "[ . 1 . 2]" 1
563 1 50 LEU H 1 50 LEU QB . . 2.770 2.500 2.117 2.806 0.036 3 0 "[ . 1 . 2]" 1
564 1 50 LEU H 1 50 LEU QD . . 4.070 2.516 1.780 3.764 . 0 0 "[ . 1 . 2]" 1
565 1 50 LEU H 1 51 ARG H . . 4.650 2.811 2.203 3.787 . 0 0 "[ . 1 . 2]" 1
566 1 50 LEU HA 1 50 LEU MD1 . . 4.350 3.654 2.209 4.146 . 0 0 "[ . 1 . 2]" 1
567 1 50 LEU HA 1 50 LEU QD . . 3.530 3.136 2.197 3.450 . 0 0 "[ . 1 . 2]" 1
568 1 50 LEU HA 1 50 LEU MD2 . . 4.350 3.600 2.336 3.969 . 0 0 "[ . 1 . 2]" 1
569 1 50 LEU QB 1 50 LEU QD . . 2.410 1.975 1.841 2.203 . 0 0 "[ . 1 . 2]" 1
570 1 50 LEU QB 1 51 ARG H . . 4.270 3.308 1.767 4.046 . 0 0 "[ . 1 . 2]" 1
571 1 50 LEU QD 1 51 ARG QD . . 4.730 3.578 2.798 4.118 . 0 0 "[ . 1 . 2]" 1
572 1 50 LEU QD 1 51 ARG QG . . 2.380 2.323 1.817 2.540 0.160 10 0 "[ . 1 . 2]" 1
573 1 51 ARG H 1 51 ARG QG . . 2.820 2.428 1.857 2.847 0.027 16 0 "[ . 1 . 2]" 1
574 1 51 ARG H 1 52 ASP H . . 3.900 2.510 2.235 2.776 . 0 0 "[ . 1 . 2]" 1
575 1 52 ASP H 1 52 ASP HB2 . . 3.730 2.871 2.362 3.594 . 0 0 "[ . 1 . 2]" 1
576 1 52 ASP H 1 52 ASP HB3 . . 3.730 2.987 2.463 3.682 . 0 0 "[ . 1 . 2]" 1
577 1 52 ASP H 1 53 SER H . . 4.860 2.226 1.626 2.743 . 0 0 "[ . 1 . 2]" 1
578 1 53 SER HB2 1 54 ASN H . . 5.500 3.120 1.859 4.437 . 0 0 "[ . 1 . 2]" 1
579 1 53 SER HB3 1 54 ASN H . . 5.500 2.780 1.761 4.279 . 0 0 "[ . 1 . 2]" 1
580 1 54 ASN HA 1 54 ASN QD . . 4.520 3.169 2.062 4.017 . 0 0 "[ . 1 . 2]" 1
581 1 54 ASN HA 1 54 ASN HD22 . . 5.170 4.160 3.491 4.921 . 0 0 "[ . 1 . 2]" 1
582 1 54 ASN QB 1 55 PRO QG . . 5.330 4.626 2.211 5.284 . 0 0 "[ . 1 . 2]" 1
583 1 54 ASN HD21 1 55 PRO QG . . 5.080 4.501 3.534 5.216 0.136 8 0 "[ . 1 . 2]" 1
584 1 54 ASN HD22 1 55 PRO QG . . 5.080 4.622 3.385 5.433 0.353 11 0 "[ . 1 . 2]" 1
585 1 55 PRO HB2 1 56 ASP HA . . 4.230 4.218 4.091 4.272 0.042 5 0 "[ . 1 . 2]" 1
586 1 55 PRO QG 1 56 ASP H . . 3.240 2.944 1.864 3.493 0.253 11 0 "[ . 1 . 2]" 1
587 1 56 ASP H 1 56 ASP HB2 . . 3.950 2.696 2.391 3.685 . 0 0 "[ . 1 . 2]" 1
588 1 56 ASP H 1 56 ASP QB . . 3.370 2.379 2.209 2.543 . 0 0 "[ . 1 . 2]" 1
589 1 56 ASP H 1 56 ASP HB3 . . 3.950 2.980 2.285 3.722 . 0 0 "[ . 1 . 2]" 1
590 1 56 ASP H 1 57 GLU H . . 3.200 2.355 1.825 3.023 . 0 0 "[ . 1 . 2]" 1
591 1 56 ASP HA 1 56 ASP QB . . 2.400 2.358 2.194 2.419 0.019 15 0 "[ . 1 . 2]" 1
592 1 56 ASP QB 1 57 GLU H . . 4.250 2.882 2.109 3.629 . 0 0 "[ . 1 . 2]" 1
593 1 57 GLU H 1 57 GLU QB . . 3.650 2.451 2.163 3.131 . 0 0 "[ . 1 . 2]" 1
594 1 57 GLU HA 1 57 GLU QB . . 2.620 2.394 2.179 2.510 . 0 0 "[ . 1 . 2]" 1
595 1 57 GLU HA 1 57 GLU QG . . 3.280 2.632 2.343 3.342 0.062 13 0 "[ . 1 . 2]" 1
596 1 57 GLU HA 1 58 ILE H . . 3.460 2.417 2.033 3.527 0.067 17 0 "[ . 1 . 2]" 1
597 1 57 GLU HA 1 58 ILE MG . . 4.460 3.509 3.116 4.522 0.062 17 0 "[ . 1 . 2]" 1
598 1 57 GLU QB 1 58 ILE MG . . 5.340 4.138 2.348 5.227 . 0 0 "[ . 1 . 2]" 1
599 1 57 GLU QG 1 58 ILE MG . . 5.340 4.491 2.451 5.355 0.015 7 0 "[ . 1 . 2]" 1
600 1 58 ILE H 1 59 GLU H . . 4.310 3.996 3.628 4.295 . 0 0 "[ . 1 . 2]" 1
601 1 58 ILE HA 1 58 ILE MD . . 3.710 3.729 3.508 3.843 0.133 1 0 "[ . 1 . 2]" 1
602 1 58 ILE HA 1 58 ILE MG . . 3.680 3.184 3.149 3.233 . 0 0 "[ . 1 . 2]" 1
603 1 58 ILE HB 1 58 ILE MD . . 2.770 2.350 2.293 2.391 . 0 0 "[ . 1 . 2]" 1
604 1 58 ILE HB 1 60 ILE MD . . 5.500 5.459 4.919 5.593 0.093 8 0 "[ . 1 . 2]" 1
605 1 58 ILE HB 2 9 LEU QB . . 5.500 3.901 3.568 4.173 . 0 0 "[ . 1 . 2]" 1
606 1 58 ILE MD 1 59 GLU H . . 5.120 4.877 4.608 5.132 0.012 1 0 "[ . 1 . 2]" 1
607 1 58 ILE MD 2 9 LEU QB . . 2.400 1.877 1.750 2.246 . 0 0 "[ . 1 . 2]" 1
608 1 58 ILE MD 2 9 LEU HG . . 2.400 2.559 2.523 2.631 0.231 1 0 "[ . 1 . 2]" 1
609 1 58 ILE QG 1 58 ILE MG . . 3.150 2.204 2.083 2.280 . 0 0 "[ . 1 . 2]" 1
610 1 58 ILE QG 1 60 ILE MD . . 4.390 3.107 2.593 3.303 . 0 0 "[ . 1 . 2]" 1
611 1 58 ILE QG 2 9 LEU QB . . 5.340 2.923 2.652 3.167 . 0 0 "[ . 1 . 2]" 1
612 1 58 ILE HG12 1 59 GLU H . . 4.410 4.138 3.958 4.337 . 0 0 "[ . 1 . 2]" 1
613 1 58 ILE HG12 2 7 ILE MG . . 2.400 1.938 1.818 2.212 . 0 0 "[ . 1 . 2]" 1
614 1 58 ILE HG13 1 59 GLU H . . 4.410 3.459 3.079 3.798 . 0 0 "[ . 1 . 2]" 1
615 1 58 ILE HG13 2 7 ILE MG . . 2.400 2.495 2.416 2.577 0.177 3 0 "[ . 1 . 2]" 1
616 1 58 ILE MG 1 59 GLU H . . 4.420 4.285 4.183 4.414 . 0 0 "[ . 1 . 2]" 1
617 1 58 ILE MG 2 8 LYS HA . . 2.400 2.525 2.439 2.629 0.229 7 0 "[ . 1 . 2]" 1
618 1 58 ILE MG 2 9 LEU QB . . 2.400 1.889 1.784 2.079 . 0 0 "[ . 1 . 2]" 1
619 1 59 GLU H 1 59 GLU QB . . 3.140 3.039 2.765 3.281 0.141 12 0 "[ . 1 . 2]" 1
620 1 59 GLU QB 2 8 LYS QD . . 2.400 1.627 1.539 2.504 0.104 1 0 "[ . 1 . 2]" 1
621 1 59 GLU QB 2 8 LYS QE . . 2.400 2.252 1.725 2.339 . 0 0 "[ . 1 . 2]" 1
622 1 59 GLU QB 2 8 LYS QG . . 2.130 2.236 1.774 2.418 0.288 2 0 "[ . 1 . 2]" 1
623 1 59 GLU QG 2 8 LYS QG . . 2.130 2.344 1.852 3.304 1.174 8 3 "[ . +-1* . 2]" 1
624 1 59 GLU HG2 2 8 LYS QD . . 2.400 2.549 2.126 2.679 0.279 3 0 "[ . 1 . 2]" 1
625 1 59 GLU HG2 2 8 LYS QE . . 2.400 2.144 1.634 2.580 0.180 8 0 "[ . 1 . 2]" 1
626 1 59 GLU HG3 2 8 LYS QD . . 2.400 2.617 1.947 2.751 0.351 16 0 "[ . 1 . 2]" 1
627 1 59 GLU HG3 2 8 LYS QE . . 2.400 1.967 1.642 2.663 0.263 1 0 "[ . 1 . 2]" 1
628 1 60 ILE H 1 60 ILE QG . . 3.960 3.056 2.348 3.846 . 0 0 "[ . 1 . 2]" 1
629 1 60 ILE H 2 8 LYS QD . . 3.880 4.256 3.780 5.946 2.066 1 2 "[+ . 1 -. 2]" 1
630 1 60 ILE HA 1 60 ILE MD . . 3.210 3.470 2.666 3.593 0.383 2 0 "[ . 1 . 2]" 1
631 1 60 ILE HA 1 60 ILE QG . . 3.720 2.106 1.979 2.396 . 0 0 "[ . 1 . 2]" 1
632 1 60 ILE HB 1 60 ILE MD . . 3.060 2.343 2.288 2.485 . 0 0 "[ . 1 . 2]" 1
633 1 60 ILE HB 1 61 ASP H . . 4.800 4.487 4.261 4.577 . 0 0 "[ . 1 . 2]" 1
634 1 60 ILE HB 1 62 PHE QD . . 5.190 5.090 4.266 5.287 0.097 9 0 "[ . 1 . 2]" 1
635 1 60 ILE HB 2 7 ILE HA . . 2.400 3.676 3.385 3.953 1.553 2 20 [*+**************-***] 1
636 1 60 ILE HB 2 7 ILE MG . . 2.400 2.348 2.024 2.519 0.119 15 0 "[ . 1 . 2]" 1
637 1 60 ILE MD 1 62 PHE QD . . 5.500 4.372 3.498 5.509 0.009 6 0 "[ . 1 . 2]" 1
638 1 60 ILE MD 1 62 PHE QE . . 5.500 4.219 3.076 5.117 . 0 0 "[ . 1 . 2]" 1
639 1 60 ILE MD 2 7 ILE HB . . 2.400 2.009 1.811 2.313 . 0 0 "[ . 1 . 2]" 1
640 1 60 ILE MD 2 7 ILE QG . . 2.390 2.560 2.502 2.636 0.246 15 0 "[ . 1 . 2]" 1
641 1 60 ILE MD 2 7 ILE MG . . 5.500 1.885 1.729 1.936 . 0 0 "[ . 1 . 2]" 1
642 1 60 ILE MG 1 61 ASP H . . 3.860 3.336 2.538 3.671 . 0 0 "[ . 1 . 2]" 1
643 1 61 ASP H 1 61 ASP QB . . 3.430 2.330 2.143 2.701 . 0 0 "[ . 1 . 2]" 1
644 1 62 PHE QB 2 5 VAL QG . . 2.390 1.804 1.693 1.895 . 0 0 "[ . 1 . 2]" 1
645 1 62 PHE HB2 2 5 VAL HB . . 2.400 2.228 1.984 2.410 0.010 18 0 "[ . 1 . 2]" 1
646 1 62 PHE HB3 2 5 VAL HB . . 2.400 2.542 2.419 2.601 0.201 20 0 "[ . 1 . 2]" 1
647 1 62 PHE QD 2 5 VAL QG . . 2.760 2.361 1.988 2.626 . 0 0 "[ . 1 . 2]" 1
648 1 63 GLU HA 1 63 GLU QG . . 3.100 2.494 2.195 2.658 . 0 0 "[ . 1 . 2]" 1
649 1 63 GLU QB 1 64 THR H . . 2.860 2.294 2.016 2.656 . 0 0 "[ . 1 . 2]" 1
650 1 63 GLU QB 1 64 THR MG . . 4.470 4.112 3.066 4.563 0.093 8 0 "[ . 1 . 2]" 1
651 1 63 GLU QB 2 5 VAL H . . 4.080 3.651 1.938 3.832 . 0 0 "[ . 1 . 2]" 1
652 1 63 GLU QB 2 5 VAL QG . . 5.260 3.596 2.619 3.803 . 0 0 "[ . 1 . 2]" 1
653 1 63 GLU QG 2 5 VAL H . . 3.970 1.629 1.520 1.797 . 0 0 "[ . 1 . 2]" 1
654 1 63 GLU HG2 2 4 LYS HA . . 2.400 2.413 2.132 2.535 0.135 1 0 "[ . 1 . 2]" 1
655 1 63 GLU HG2 2 5 VAL QG . . 2.400 2.428 2.038 2.538 0.138 20 0 "[ . 1 . 2]" 1
656 1 63 GLU HG3 2 4 LYS HA . . 2.400 2.503 1.749 2.643 0.243 14 0 "[ . 1 . 2]" 1
657 1 63 GLU HG3 2 5 VAL QG . . 2.400 2.388 2.113 2.673 0.273 8 0 "[ . 1 . 2]" 1
658 1 64 THR H 1 64 THR HB . . 4.050 2.793 2.469 3.449 . 0 0 "[ . 1 . 2]" 1
659 1 64 THR H 1 64 THR MG . . 3.910 3.610 3.042 3.853 . 0 0 "[ . 1 . 2]" 1
660 1 64 THR H 1 65 LEU H . . 2.400 2.119 1.947 2.331 . 0 0 "[ . 1 . 2]" 1
661 1 64 THR H 1 65 LEU QB . . 5.340 3.844 3.546 4.039 . 0 0 "[ . 1 . 2]" 1
662 1 64 THR H 1 65 LEU QD . . 5.440 4.980 4.520 5.232 . 0 0 "[ . 1 . 2]" 1
663 1 64 THR HA 1 64 THR MG . . 3.190 2.248 2.129 2.352 . 0 0 "[ . 1 . 2]" 1
664 1 64 THR HB 1 65 LEU H . . 3.230 3.144 2.812 3.315 0.085 15 0 "[ . 1 . 2]" 1
665 1 65 LEU H 1 65 LEU QB . . 3.530 2.225 2.115 2.308 . 0 0 "[ . 1 . 2]" 1
666 1 65 LEU H 1 65 LEU MD1 . . 4.460 3.991 3.725 4.143 . 0 0 "[ . 1 . 2]" 1
667 1 65 LEU H 1 65 LEU MD2 . . 4.460 4.237 4.066 4.346 . 0 0 "[ . 1 . 2]" 1
668 1 65 LEU H 1 65 LEU HG . . 4.600 4.559 4.449 4.610 0.010 6 0 "[ . 1 . 2]" 1
669 1 65 LEU H 1 66 LYS H . . 5.390 4.589 4.496 4.660 . 0 0 "[ . 1 . 2]" 1
670 1 65 LEU HA 1 65 LEU MD1 . . 4.400 2.077 1.958 2.220 . 0 0 "[ . 1 . 2]" 1
671 1 65 LEU HA 1 65 LEU QD . . 3.270 2.069 1.951 2.208 . 0 0 "[ . 1 . 2]" 1
672 1 65 LEU HA 1 65 LEU MD2 . . 4.400 3.852 3.750 3.908 . 0 0 "[ . 1 . 2]" 1
673 1 65 LEU HA 1 66 LYS H . . 3.240 2.288 2.082 2.626 . 0 0 "[ . 1 . 2]" 1
674 1 65 LEU QB 1 66 LYS H . . 3.970 3.301 2.977 3.527 . 0 0 "[ . 1 . 2]" 1
675 1 65 LEU QB 1 69 THR MG . . 5.130 4.488 3.930 5.158 0.028 5 0 "[ . 1 . 2]" 1
676 1 65 LEU QB 1 70 LEU QD . . 5.280 4.630 3.588 5.322 0.042 20 0 "[ . 1 . 2]" 1
677 1 65 LEU HB2 1 66 LYS H . . 4.610 3.924 3.800 4.092 . 0 0 "[ . 1 . 2]" 1
678 1 65 LEU HB3 1 66 LYS H . . 4.610 3.570 3.102 3.924 . 0 0 "[ . 1 . 2]" 1
679 1 65 LEU QD 1 66 LYS H . . 4.010 2.167 1.792 2.753 . 0 0 "[ . 1 . 2]" 1
680 1 65 LEU QD 1 69 THR MG . . 3.920 2.137 1.838 2.874 . 0 0 "[ . 1 . 2]" 1
681 1 65 LEU QD 1 70 LEU H . . 5.440 4.155 2.939 4.895 . 0 0 "[ . 1 . 2]" 1
682 1 65 LEU MD1 1 66 LYS H . . 4.850 2.186 1.794 2.833 . 0 0 "[ . 1 . 2]" 1
683 1 65 LEU MD2 1 66 LYS H . . 4.850 3.860 3.562 4.145 . 0 0 "[ . 1 . 2]" 1
684 1 65 LEU HG 1 66 LYS H . . 3.850 2.247 1.820 2.700 . 0 0 "[ . 1 . 2]" 1
685 1 65 LEU HG 1 69 THR H . . 5.420 4.215 3.646 5.022 . 0 0 "[ . 1 . 2]" 1
686 1 66 LYS H 1 66 LYS QB . . 3.060 2.407 2.276 2.676 . 0 0 "[ . 1 . 2]" 1
687 1 66 LYS H 1 69 THR H . . 4.840 4.527 3.984 4.868 0.028 12 0 "[ . 1 . 2]" 1
688 1 66 LYS H 1 69 THR HB . . 4.400 4.034 3.096 4.427 0.027 8 0 "[ . 1 . 2]" 1
689 1 66 LYS H 1 69 THR MG . . 5.500 4.887 3.757 5.530 0.030 10 0 "[ . 1 . 2]" 1
690 1 67 PRO HA 1 69 THR H . . 5.100 4.299 4.017 4.592 . 0 0 "[ . 1 . 2]" 1
691 1 67 PRO HA 1 70 LEU H . . 3.290 3.167 2.975 3.312 0.022 14 0 "[ . 1 . 2]" 1
692 1 67 PRO HA 1 71 ARG H . . 4.620 4.128 3.788 4.632 0.012 16 0 "[ . 1 . 2]" 1
693 1 68 THR H 1 68 THR MG . . 4.190 2.905 2.033 3.731 . 0 0 "[ . 1 . 2]" 1
694 1 68 THR H 1 69 THR H . . 4.910 2.704 2.486 2.877 . 0 0 "[ . 1 . 2]" 1
695 1 68 THR H 1 69 THR HB . . 5.320 5.061 4.654 5.263 . 0 0 "[ . 1 . 2]" 1
696 1 68 THR HA 1 68 THR MG . . 3.360 2.526 2.205 3.254 . 0 0 "[ . 1 . 2]" 1
697 1 68 THR HA 1 71 ARG H . . 4.480 3.785 3.286 4.106 . 0 0 "[ . 1 . 2]" 1
698 1 68 THR HB 1 69 THR H . . 4.210 3.185 2.210 4.141 . 0 0 "[ . 1 . 2]" 1
699 1 68 THR MG 1 69 THR H . . 4.320 3.415 2.146 4.122 . 0 0 "[ . 1 . 2]" 1
700 1 69 THR H 1 69 THR HB . . 3.490 2.594 2.401 2.824 . 0 0 "[ . 1 . 2]" 1
701 1 69 THR H 1 69 THR MG . . 4.290 3.669 3.427 3.813 . 0 0 "[ . 1 . 2]" 1
702 1 69 THR H 1 70 LEU H . . 3.520 2.333 2.219 2.606 . 0 0 "[ . 1 . 2]" 1
703 1 69 THR H 1 70 LEU QB . . 5.340 4.023 3.838 4.634 . 0 0 "[ . 1 . 2]" 1
704 1 69 THR H 1 71 ARG H . . 4.640 4.121 3.890 4.385 . 0 0 "[ . 1 . 2]" 1
705 1 69 THR HA 1 69 THR MG . . 3.680 2.267 2.130 2.409 . 0 0 "[ . 1 . 2]" 1
706 1 69 THR HB 1 70 LEU H . . 3.770 2.806 2.538 3.037 . 0 0 "[ . 1 . 2]" 1
707 1 69 THR HB 1 71 ARG H . . 5.460 5.140 4.941 5.337 . 0 0 "[ . 1 . 2]" 1
708 1 69 THR MG 1 70 LEU H . . 3.990 3.895 3.685 4.017 0.027 2 0 "[ . 1 . 2]" 1
709 1 69 THR MG 1 72 GLU H . . 5.500 4.343 3.949 4.819 . 0 0 "[ . 1 . 2]" 1
710 1 69 THR MG 1 73 LEU H . . 5.500 4.609 4.097 5.334 . 0 0 "[ . 1 . 2]" 1
711 1 70 LEU H 1 70 LEU QB . . 2.980 2.201 2.140 2.562 . 0 0 "[ . 1 . 2]" 1
712 1 70 LEU H 1 71 ARG H . . 4.290 2.697 2.538 2.840 . 0 0 "[ . 1 . 2]" 1
713 1 70 LEU HA 1 70 LEU QB . . 2.460 2.353 2.310 2.429 . 0 0 "[ . 1 . 2]" 1
714 1 70 LEU HA 1 73 LEU QB . . 4.880 3.447 2.792 3.806 . 0 0 "[ . 1 . 2]" 1
715 1 70 LEU HA 1 73 LEU QD . . 5.400 4.414 4.084 4.719 . 0 0 "[ . 1 . 2]" 1
716 1 70 LEU QB 1 70 LEU QD . . 2.820 1.920 1.882 2.067 . 0 0 "[ . 1 . 2]" 1
717 1 70 LEU QB 1 71 ARG H . . 2.990 2.481 2.329 2.775 . 0 0 "[ . 1 . 2]" 1
718 1 71 ARG H 1 71 ARG QB . . 3.120 2.437 2.132 2.681 . 0 0 "[ . 1 . 2]" 1
719 1 71 ARG H 1 71 ARG QD . . 4.350 3.749 2.092 4.450 0.100 8 0 "[ . 1 . 2]" 1
720 1 71 ARG H 1 72 GLU H . . 3.780 2.692 2.594 2.811 . 0 0 "[ . 1 . 2]" 1
721 1 71 ARG H 1 73 LEU H . . 4.860 4.429 4.296 4.589 . 0 0 "[ . 1 . 2]" 1
722 1 72 GLU H 1 72 GLU HB2 . . 2.550 2.445 2.359 2.556 0.006 6 0 "[ . 1 . 2]" 1
723 1 72 GLU H 1 72 GLU HB3 . . 3.400 2.630 2.544 2.750 . 0 0 "[ . 1 . 2]" 1
724 1 72 GLU H 1 73 LEU H . . 3.500 2.626 2.470 2.836 . 0 0 "[ . 1 . 2]" 1
725 1 72 GLU H 1 74 GLU H . . 4.540 3.932 3.637 4.184 . 0 0 "[ . 1 . 2]" 1
726 1 72 GLU HA 1 72 GLU QG . . 3.460 2.893 2.777 3.004 . 0 0 "[ . 1 . 2]" 1
727 1 72 GLU HA 1 74 GLU H . . 4.810 4.329 4.109 4.615 . 0 0 "[ . 1 . 2]" 1
728 1 72 GLU HA 1 75 ARG H . . 3.950 3.539 3.235 3.817 . 0 0 "[ . 1 . 2]" 1
729 1 72 GLU HA 1 75 ARG QB . . 3.530 3.022 2.621 3.532 0.002 3 0 "[ . 1 . 2]" 1
730 1 72 GLU HA 1 75 ARG QD . . 4.360 2.769 2.026 4.365 0.005 2 0 "[ . 1 . 2]" 1
731 1 72 GLU HA 1 75 ARG QG . . 4.330 3.216 2.138 4.387 0.057 16 0 "[ . 1 . 2]" 1
732 1 72 GLU HB3 1 73 LEU H . . 3.080 2.514 2.295 2.796 . 0 0 "[ . 1 . 2]" 1
733 1 73 LEU H 1 73 LEU QB . . 2.960 2.193 2.046 2.311 . 0 0 "[ . 1 . 2]" 1
734 1 73 LEU H 1 73 LEU MD1 . . 4.670 4.217 4.133 4.363 . 0 0 "[ . 1 . 2]" 1
735 1 73 LEU H 1 73 LEU QD . . 4.060 3.706 3.375 3.823 . 0 0 "[ . 1 . 2]" 1
736 1 73 LEU H 1 73 LEU MD2 . . 4.670 4.152 3.524 4.357 . 0 0 "[ . 1 . 2]" 1
737 1 73 LEU H 1 74 GLU H . . 3.540 2.523 2.425 2.649 . 0 0 "[ . 1 . 2]" 1
738 1 73 LEU H 1 75 ARG H . . 5.500 4.136 3.947 4.328 . 0 0 "[ . 1 . 2]" 1
739 1 73 LEU HA 1 73 LEU QD . . 2.390 2.196 2.012 2.472 0.082 9 0 "[ . 1 . 2]" 1
740 1 73 LEU HA 1 76 TYR H . . 4.080 3.217 2.966 3.508 . 0 0 "[ . 1 . 2]" 1
741 1 73 LEU HA 1 76 TYR HB3 . . 3.510 2.408 2.118 2.717 . 0 0 "[ . 1 . 2]" 1
742 1 73 LEU HA 1 76 TYR QD . . 4.600 3.980 3.464 4.327 . 0 0 "[ . 1 . 2]" 1
743 1 73 LEU HA 1 77 VAL H . . 4.600 3.950 3.797 4.163 . 0 0 "[ . 1 . 2]" 1
744 1 73 LEU QB 1 74 GLU H . . 3.510 2.732 2.470 2.931 . 0 0 "[ . 1 . 2]" 1
745 1 73 LEU QB 1 77 VAL H . . 5.340 5.000 4.724 5.217 . 0 0 "[ . 1 . 2]" 1
746 1 73 LEU QB 1 77 VAL QG . . 4.490 3.805 3.389 4.102 . 0 0 "[ . 1 . 2]" 1
747 1 73 LEU HB2 1 74 GLU H . . 4.120 3.760 3.310 4.090 . 0 0 "[ . 1 . 2]" 1
748 1 73 LEU HB3 1 74 GLU H . . 4.120 2.811 2.541 3.018 . 0 0 "[ . 1 . 2]" 1
749 1 73 LEU QD 1 76 TYR H . . 5.440 4.106 3.911 4.342 . 0 0 "[ . 1 . 2]" 1
750 1 73 LEU QD 1 76 TYR HB2 . . 5.440 3.642 3.155 4.229 . 0 0 "[ . 1 . 2]" 1
751 1 73 LEU QD 1 76 TYR QD . . 2.840 2.600 2.092 2.936 0.096 14 0 "[ . 1 . 2]" 1
752 1 73 LEU QD 1 77 VAL HA . . 5.440 4.306 3.925 4.619 . 0 0 "[ . 1 . 2]" 1
753 1 73 LEU QD 1 77 VAL QG . . 2.860 2.085 1.819 2.652 . 0 0 "[ . 1 . 2]" 1
754 1 74 GLU H 1 74 GLU HB2 . . 3.770 2.440 2.158 2.723 . 0 0 "[ . 1 . 2]" 1
755 1 74 GLU H 1 75 ARG H . . 3.760 2.665 2.498 2.852 . 0 0 "[ . 1 . 2]" 1
756 1 74 GLU H 1 75 ARG QD . . 5.340 5.216 4.473 5.506 0.166 16 0 "[ . 1 . 2]" 1
757 1 74 GLU H 1 77 VAL QG . . 5.440 4.309 3.910 4.624 . 0 0 "[ . 1 . 2]" 1
758 1 74 GLU HA 1 74 GLU QG . . 3.700 2.637 2.327 3.288 . 0 0 "[ . 1 . 2]" 1
759 1 74 GLU HA 1 77 VAL H . . 4.710 3.619 3.321 4.027 . 0 0 "[ . 1 . 2]" 1
760 1 74 GLU HB2 1 75 ARG H . . 4.090 3.711 3.483 3.943 . 0 0 "[ . 1 . 2]" 1
761 1 74 GLU HB3 1 75 ARG H . . 3.070 2.455 2.093 2.615 . 0 0 "[ . 1 . 2]" 1
762 1 74 GLU HB3 1 76 TYR H . . 5.500 4.843 4.585 5.052 . 0 0 "[ . 1 . 2]" 1
763 1 74 GLU QG 1 75 ARG H . . 4.570 3.818 3.086 4.473 . 0 0 "[ . 1 . 2]" 1
764 1 74 GLU QG 1 75 ARG QG . . 5.220 4.496 2.857 5.310 0.090 19 0 "[ . 1 . 2]" 1
765 1 75 ARG H 1 75 ARG QB . . 2.700 2.457 1.991 2.701 0.001 2 0 "[ . 1 . 2]" 1
766 1 75 ARG H 1 75 ARG QD . . 3.790 3.494 2.625 3.860 0.070 16 0 "[ . 1 . 2]" 1
767 1 75 ARG H 1 75 ARG QG . . 4.300 2.294 1.871 3.986 . 0 0 "[ . 1 . 2]" 1
768 1 75 ARG H 1 76 TYR H . . 3.710 2.574 2.320 2.700 . 0 0 "[ . 1 . 2]" 1
769 1 75 ARG H 1 76 TYR HA . . 5.500 5.192 4.921 5.311 . 0 0 "[ . 1 . 2]" 1
770 1 75 ARG H 1 76 TYR HB3 . . 5.300 4.636 4.340 4.827 . 0 0 "[ . 1 . 2]" 1
771 1 75 ARG H 1 77 VAL H . . 4.600 4.179 4.042 4.416 . 0 0 "[ . 1 . 2]" 1
772 1 75 ARG HA 1 75 ARG QG . . 3.800 2.600 2.360 3.161 . 0 0 "[ . 1 . 2]" 1
773 1 75 ARG HA 1 78 LYS QB . . 3.640 2.849 2.194 3.746 0.106 9 0 "[ . 1 . 2]" 1
774 1 75 ARG HA 1 78 LYS QG . . 5.090 3.918 1.944 5.093 0.003 5 0 "[ . 1 . 2]" 1
775 1 75 ARG QB 1 75 ARG QD . . 3.230 2.315 1.931 2.852 . 0 0 "[ . 1 . 2]" 1
776 1 75 ARG QB 1 76 TYR H . . 2.820 2.469 2.129 2.811 . 0 0 "[ . 1 . 2]" 1
777 1 75 ARG QB 1 77 VAL H . . 5.320 4.739 4.389 5.037 . 0 0 "[ . 1 . 2]" 1
778 1 75 ARG QG 1 77 VAL H . . 5.500 5.568 5.393 5.616 0.116 18 0 "[ . 1 . 2]" 1
779 1 76 TYR H 1 76 TYR HB2 . . 3.570 2.545 2.413 2.789 . 0 0 "[ . 1 . 2]" 1
780 1 76 TYR H 1 76 TYR HB3 . . 3.600 2.442 2.273 2.545 . 0 0 "[ . 1 . 2]" 1
781 1 76 TYR H 1 76 TYR QD . . 4.090 4.121 4.027 4.153 0.063 6 0 "[ . 1 . 2]" 1
782 1 76 TYR H 1 77 VAL H . . 3.720 2.725 2.582 2.838 . 0 0 "[ . 1 . 2]" 1
783 1 76 TYR H 1 77 VAL QG . . 4.670 4.014 3.720 4.222 . 0 0 "[ . 1 . 2]" 1
784 1 76 TYR HA 1 76 TYR QD . . 3.500 2.914 2.774 3.083 . 0 0 "[ . 1 . 2]" 1
785 1 76 TYR HA 1 76 TYR QE . . 5.310 4.673 4.583 4.784 . 0 0 "[ . 1 . 2]" 1
786 1 76 TYR HB2 1 77 VAL H . . 4.320 3.799 3.686 3.984 . 0 0 "[ . 1 . 2]" 1
787 1 76 TYR HB3 1 77 VAL H . . 4.070 2.384 2.212 2.624 . 0 0 "[ . 1 . 2]" 1
788 1 76 TYR HB3 1 77 VAL MG1 . . 5.090 4.697 3.121 5.213 0.123 10 0 "[ . 1 . 2]" 1
789 1 76 TYR HB3 1 77 VAL QG . . 3.920 2.960 2.795 3.209 . 0 0 "[ . 1 . 2]" 1
790 1 76 TYR HB3 1 77 VAL MG2 . . 5.090 3.218 2.807 4.166 . 0 0 "[ . 1 . 2]" 1
791 1 76 TYR QD 1 77 VAL H . . 4.250 3.031 2.769 3.271 . 0 0 "[ . 1 . 2]" 1
792 1 76 TYR QD 1 77 VAL HA . . 4.770 2.906 2.609 3.230 . 0 0 "[ . 1 . 2]" 1
793 1 76 TYR QD 1 77 VAL HB . . 5.390 4.540 4.209 4.835 . 0 0 "[ . 1 . 2]" 1
794 1 76 TYR QD 1 77 VAL QG . . 3.000 2.364 1.963 2.713 . 0 0 "[ . 1 . 2]" 1
795 1 76 TYR QE 1 77 VAL H . . 5.500 5.141 4.873 5.361 . 0 0 "[ . 1 . 2]" 1
796 1 76 TYR QE 1 77 VAL QG . . 5.440 3.474 2.707 3.929 . 0 0 "[ . 1 . 2]" 1
797 1 77 VAL H 1 77 VAL HB . . 3.690 2.857 2.432 3.727 0.037 18 0 "[ . 1 . 2]" 1
798 1 77 VAL H 1 77 VAL MG1 . . 3.870 3.419 2.259 3.783 . 0 0 "[ . 1 . 2]" 1
799 1 77 VAL H 1 77 VAL QG . . 3.310 2.082 1.963 2.301 . 0 0 "[ . 1 . 2]" 1
800 1 77 VAL H 1 77 VAL MG2 . . 3.870 2.126 2.006 2.322 . 0 0 "[ . 1 . 2]" 1
801 1 77 VAL H 1 78 LYS H . . 3.210 2.608 2.436 2.753 . 0 0 "[ . 1 . 2]" 1
802 1 77 VAL H 1 79 SER H . . 4.990 4.097 3.887 4.379 . 0 0 "[ . 1 . 2]" 1
803 1 77 VAL HA 1 77 VAL MG1 . . 3.600 2.355 2.303 2.445 . 0 0 "[ . 1 . 2]" 1
804 1 77 VAL HA 1 77 VAL QG . . 3.010 2.152 2.100 2.303 . 0 0 "[ . 1 . 2]" 1
805 1 77 VAL HA 1 77 VAL MG2 . . 3.600 2.590 2.299 3.239 . 0 0 "[ . 1 . 2]" 1
806 1 77 VAL HA 1 79 SER H . . 5.390 4.156 3.789 4.579 . 0 0 "[ . 1 . 2]" 1
807 1 77 VAL HA 1 80 CYS H . . 4.180 3.057 2.854 3.398 . 0 0 "[ . 1 . 2]" 1
808 1 77 VAL HA 1 80 CYS HB2 . . 4.610 2.940 2.308 3.551 . 0 0 "[ . 1 . 2]" 1
809 1 77 VAL HA 1 80 CYS HB3 . . 4.610 2.943 2.274 4.024 . 0 0 "[ . 1 . 2]" 1
810 1 77 VAL HA 1 81 LEU H . . 5.080 4.207 3.873 4.750 . 0 0 "[ . 1 . 2]" 1
811 1 77 VAL HA 1 81 LEU QD . . 5.440 4.351 3.834 4.717 . 0 0 "[ . 1 . 2]" 1
812 1 77 VAL HB 1 78 LYS H . . 4.170 3.040 2.443 4.036 . 0 0 "[ . 1 . 2]" 1
813 1 77 VAL QG 1 78 LYS H . . 3.730 3.055 2.358 3.445 . 0 0 "[ . 1 . 2]" 1
814 1 77 VAL QG 1 79 SER H . . 4.750 4.502 4.289 4.704 . 0 0 "[ . 1 . 2]" 1
815 1 77 VAL QG 1 80 CYS QB . . 5.130 3.129 2.290 3.599 . 0 0 "[ . 1 . 2]" 1
816 1 77 VAL QG 1 81 LEU QD . . 4.170 2.550 2.087 3.212 . 0 0 "[ . 1 . 2]" 1
817 1 77 VAL QG 1 81 LEU HG . . 4.350 2.859 2.118 3.852 . 0 0 "[ . 1 . 2]" 1
818 1 77 VAL MG1 1 78 LYS H . . 4.350 3.659 3.196 4.120 . 0 0 "[ . 1 . 2]" 1
819 1 77 VAL MG1 1 79 SER H . . 5.500 5.066 4.808 5.482 . 0 0 "[ . 1 . 2]" 1
820 1 77 VAL MG2 1 78 LYS H . . 4.350 3.511 2.374 4.085 . 0 0 "[ . 1 . 2]" 1
821 1 77 VAL MG2 1 79 SER H . . 5.500 5.131 4.511 5.508 0.008 4 0 "[ . 1 . 2]" 1
822 1 78 LYS H 1 79 SER H . . 3.540 2.685 2.540 2.835 . 0 0 "[ . 1 . 2]" 1
823 1 78 LYS H 1 80 CYS H . . 4.610 4.009 3.892 4.188 . 0 0 "[ . 1 . 2]" 1
824 1 78 LYS QB 1 78 LYS QG . . 2.350 2.055 1.988 2.095 . 0 0 "[ . 1 . 2]" 1
825 1 78 LYS QB 1 79 SER H . . 3.610 2.621 2.248 3.505 . 0 0 "[ . 1 . 2]" 1
826 1 79 SER H 1 79 SER QB . . 3.200 2.408 2.229 2.542 . 0 0 "[ . 1 . 2]" 1
827 1 79 SER H 1 80 CYS H . . 3.580 2.590 2.481 2.712 . 0 0 "[ . 1 . 2]" 1
828 1 79 SER H 1 80 CYS QB . . 4.950 4.419 4.159 4.647 . 0 0 "[ . 1 . 2]" 1
829 1 79 SER H 1 81 LEU HG . . 5.500 5.255 4.668 5.524 0.024 18 0 "[ . 1 . 2]" 1
830 1 79 SER HA 1 82 GLN H . . 4.080 3.632 3.406 4.039 . 0 0 "[ . 1 . 2]" 1
831 1 79 SER HA 1 82 GLN QB . . 4.390 3.536 2.748 4.405 0.015 15 0 "[ . 1 . 2]" 1
832 1 79 SER HA 1 82 GLN QG . . 4.590 2.928 1.903 4.634 0.044 12 0 "[ . 1 . 2]" 1
833 1 79 SER QB 1 80 CYS H . . 3.160 2.730 2.562 2.851 . 0 0 "[ . 1 . 2]" 1
834 1 80 CYS H 1 80 CYS HB2 . . 3.860 2.521 2.340 2.639 . 0 0 "[ . 1 . 2]" 1
835 1 80 CYS H 1 80 CYS QB . . 3.380 2.288 2.184 2.439 . 0 0 "[ . 1 . 2]" 1
836 1 80 CYS H 1 80 CYS HB3 . . 3.860 2.789 2.354 3.594 . 0 0 "[ . 1 . 2]" 1
837 1 80 CYS H 1 81 LEU H . . 3.890 2.531 2.374 2.752 . 0 0 "[ . 1 . 2]" 1
838 1 80 CYS H 1 81 LEU QB . . 5.220 4.617 4.437 5.100 . 0 0 "[ . 1 . 2]" 1
839 1 80 CYS H 1 81 LEU HG . . 4.950 4.201 3.952 4.463 . 0 0 "[ . 1 . 2]" 1
840 1 80 CYS H 1 82 GLN QG . . 5.400 4.682 4.196 5.289 . 0 0 "[ . 1 . 2]" 1
841 1 80 CYS QB 1 81 LEU QD . . 4.650 3.565 3.169 4.171 . 0 0 "[ . 1 . 2]" 1
842 1 80 CYS HB2 1 81 LEU H . . 4.180 3.735 2.739 4.189 0.009 7 0 "[ . 1 . 2]" 1
843 1 80 CYS HB3 1 81 LEU H . . 4.180 3.114 2.477 4.123 . 0 0 "[ . 1 . 2]" 1
844 1 81 LEU H 1 81 LEU HB2 . . 3.870 2.532 2.320 3.664 . 0 0 "[ . 1 . 2]" 1
845 1 81 LEU H 1 81 LEU QB . . 3.040 2.449 2.292 2.761 . 0 0 "[ . 1 . 2]" 1
846 1 81 LEU H 1 81 LEU HB3 . . 3.870 3.572 2.856 3.671 . 0 0 "[ . 1 . 2]" 1
847 1 81 LEU H 1 81 LEU QD . . 3.810 3.142 2.930 3.310 . 0 0 "[ . 1 . 2]" 1
848 1 81 LEU H 1 81 LEU HG . . 3.410 2.441 2.072 2.739 . 0 0 "[ . 1 . 2]" 1
849 1 81 LEU H 1 82 GLN H . . 4.100 2.551 2.160 2.849 . 0 0 "[ . 1 . 2]" 1
850 1 81 LEU HA 1 81 LEU MD1 . . 4.180 3.845 3.536 3.895 . 0 0 "[ . 1 . 2]" 1
851 1 81 LEU HA 1 81 LEU QD . . 3.140 2.130 1.994 3.327 0.187 2 0 "[ . 1 . 2]" 1
852 1 81 LEU HA 1 81 LEU MD2 . . 4.180 2.174 2.001 4.052 . 0 0 "[ . 1 . 2]" 1
853 1 81 LEU QB 1 81 LEU QD . . 2.110 1.945 1.892 1.960 . 0 0 "[ . 1 . 2]" 1
854 1 81 LEU QB 1 82 GLN H . . 3.990 3.027 2.198 3.847 . 0 0 "[ . 1 . 2]" 1
855 1 81 LEU HB2 1 81 LEU MD1 . . 3.210 2.325 2.259 2.360 . 0 0 "[ . 1 . 2]" 1
856 1 81 LEU HB2 1 81 LEU MD2 . . 3.210 3.166 2.435 3.214 0.004 14 0 "[ . 1 . 2]" 1
857 1 81 LEU HB3 1 81 LEU MD1 . . 3.210 2.407 2.330 3.154 . 0 0 "[ . 1 . 2]" 1
858 1 81 LEU HB3 1 81 LEU MD2 . . 3.210 2.379 2.205 2.438 . 0 0 "[ . 1 . 2]" 1
859 1 81 LEU QD 1 82 GLN H . . 4.840 4.160 2.644 4.464 . 0 0 "[ . 1 . 2]" 1
860 1 81 LEU MD1 1 82 GLN H . . 5.490 4.780 2.656 5.430 . 0 0 "[ . 1 . 2]" 1
861 1 81 LEU MD2 1 82 GLN H . . 5.490 4.689 4.549 4.831 . 0 0 "[ . 1 . 2]" 1
862 1 81 LEU HG 1 82 GLN H . . 5.240 4.500 3.553 4.936 . 0 0 "[ . 1 . 2]" 1
863 1 82 GLN H 1 82 GLN QB . . 2.920 2.625 2.365 2.944 0.024 10 0 "[ . 1 . 2]" 1
864 1 82 GLN H 1 82 GLN QG . . 4.000 2.356 2.011 3.342 . 0 0 "[ . 1 . 2]" 1
865 1 82 GLN HA 1 82 GLN QB . . 2.520 2.234 2.171 2.424 . 0 0 "[ . 1 . 2]" 1
866 1 82 GLN HA 1 82 GLN QG . . 3.480 3.195 2.459 3.503 0.023 5 0 "[ . 1 . 2]" 1
867 1 82 GLN QE 1 83 LYS QB . . 5.180 4.708 3.561 5.252 0.072 13 0 "[ . 1 . 2]" 1
868 1 82 GLN QE 1 83 LYS QE . . 5.340 4.895 2.537 5.497 0.157 5 0 "[ . 1 . 2]" 1
869 1 83 LYS HA 1 83 LYS QD . . 4.270 4.105 3.960 4.274 0.004 17 0 "[ . 1 . 2]" 1
870 1 83 LYS HA 1 83 LYS HG2 . . 3.070 2.754 2.397 3.117 0.047 2 0 "[ . 1 . 2]" 1
871 1 83 LYS HA 1 83 LYS HG3 . . 3.070 2.820 2.426 3.104 0.034 16 0 "[ . 1 . 2]" 1
872 1 83 LYS QB 1 83 LYS QE . . 4.050 2.557 1.848 3.641 . 0 0 "[ . 1 . 2]" 1
873 1 83 LYS QE 1 83 LYS QG . . 2.680 2.345 2.069 2.748 0.068 1 0 "[ . 1 . 2]" 1
874 1 86 ARG QB 1 87 LYS H . . 3.660 2.655 2.108 3.794 0.134 10 0 "[ . 1 . 2]" 1
875 1 86 ARG QG 1 87 LYS H . . 4.850 3.598 2.552 4.262 . 0 0 "[ . 1 . 2]" 1
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