Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
430741 | 2jow RC | 15206 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jow
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 1227
_Distance_constraint_stats_list.Viol_count 7765
_Distance_constraint_stats_list.Viol_total 14340.016
_Distance_constraint_stats_list.Viol_max 0.730
_Distance_constraint_stats_list.Viol_rms 0.0558
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0292
_Distance_constraint_stats_list.Viol_average_violations_only 0.0923
_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 2 ALA 9.892 0.232 8 0 "[ . 1 . 2]"
1 3 THR 18.705 0.281 11 0 "[ . 1 . 2]"
1 4 PRO 16.984 0.281 11 0 "[ . 1 . 2]"
1 5 TRP 4.368 0.159 20 0 "[ . 1 . 2]"
1 6 SER 1.716 0.125 15 0 "[ . 1 . 2]"
1 7 GLY 0.147 0.056 19 0 "[ . 1 . 2]"
1 8 TYR 5.740 0.242 18 0 "[ . 1 . 2]"
1 9 LEU 7.867 0.243 10 0 "[ . 1 . 2]"
1 10 ASP 3.616 0.191 5 0 "[ . 1 . 2]"
1 11 ASP 3.348 0.221 10 0 "[ . 1 . 2]"
1 12 VAL 11.566 0.248 17 0 "[ . 1 . 2]"
1 13 SER 10.883 0.227 1 0 "[ . 1 . 2]"
1 14 ALA 10.077 0.243 10 0 "[ . 1 . 2]"
1 15 LYS 5.698 0.162 2 0 "[ . 1 . 2]"
1 16 PHE 8.697 0.243 11 0 "[ . 1 . 2]"
1 17 ASP 7.834 0.235 16 0 "[ . 1 . 2]"
1 18 THR 8.773 0.236 10 0 "[ . 1 . 2]"
1 19 GLY 2.325 0.133 3 0 "[ . 1 . 2]"
1 20 VAL 22.424 0.309 6 0 "[ . 1 . 2]"
1 21 ASP 21.642 0.205 12 0 "[ . 1 . 2]"
1 22 ASN 17.333 0.243 11 0 "[ . 1 . 2]"
1 23 LEU 37.304 0.309 6 0 "[ . 1 . 2]"
1 24 GLN 10.469 0.205 12 0 "[ . 1 . 2]"
1 25 THR 22.678 0.191 3 0 "[ . 1 . 2]"
1 26 GLN 15.886 0.191 3 0 "[ . 1 . 2]"
1 27 VAL 21.012 0.382 12 0 "[ . 1 . 2]"
1 28 THR 26.732 0.231 3 0 "[ . 1 . 2]"
1 29 GLU 33.560 0.231 3 0 "[ . 1 . 2]"
1 30 ALA 25.233 0.246 20 0 "[ . 1 . 2]"
1 31 LEU 24.066 0.236 12 0 "[ . 1 . 2]"
1 32 ASP 6.873 0.229 20 0 "[ . 1 . 2]"
1 33 LYS 29.591 0.217 20 0 "[ . 1 . 2]"
1 34 LEU 32.899 0.730 20 2 "[ . 1 . -+]"
1 35 ALA 8.820 0.160 12 0 "[ . 1 . 2]"
1 36 ALA 6.236 0.217 20 0 "[ . 1 . 2]"
1 37 LYS 19.256 0.261 18 0 "[ . 1 . 2]"
1 38 PRO 20.707 0.507 19 1 "[ . 1 . +2]"
1 39 SER 16.147 0.306 19 0 "[ . 1 . 2]"
1 40 ASP 21.075 0.306 19 0 "[ . 1 . 2]"
1 41 PRO 15.060 0.625 19 2 "[ . 1 . +-]"
1 42 ALA 6.649 0.181 19 0 "[ . 1 . 2]"
1 43 LEU 40.843 0.263 20 0 "[ . 1 . 2]"
1 44 LEU 49.529 0.730 20 2 "[ . 1 . -+]"
1 45 ALA 14.761 0.604 19 2 "[ . 1 . +-]"
1 46 ALA 8.061 0.197 20 0 "[ . 1 . 2]"
1 47 TYR 19.138 0.483 20 0 "[ . 1 . 2]"
1 48 GLN 24.819 0.346 20 0 "[ . 1 . 2]"
1 49 SER 15.742 0.201 3 0 "[ . 1 . 2]"
1 50 LYS 28.590 0.382 12 0 "[ . 1 . 2]"
1 51 LEU 26.209 0.246 20 0 "[ . 1 . 2]"
1 52 SER 15.238 0.195 3 0 "[ . 1 . 2]"
1 53 GLU 27.489 0.239 16 0 "[ . 1 . 2]"
1 54 TYR 21.768 0.235 3 0 "[ . 1 . 2]"
1 55 ASN 15.776 0.195 10 0 "[ . 1 . 2]"
1 56 LEU 14.995 0.184 16 0 "[ . 1 . 2]"
1 57 TYR 14.182 0.218 6 0 "[ . 1 . 2]"
1 58 ARG 18.231 0.195 10 0 "[ . 1 . 2]"
1 59 ASN 9.599 0.175 12 0 "[ . 1 . 2]"
1 60 ALA 11.979 0.217 15 0 "[ . 1 . 2]"
1 61 GLN 19.484 0.348 9 0 "[ . 1 . 2]"
1 62 SER 15.449 0.240 16 0 "[ . 1 . 2]"
1 63 ASN 13.022 0.223 9 0 "[ . 1 . 2]"
1 64 THR 31.987 0.348 9 0 "[ . 1 . 2]"
1 65 VAL 22.891 0.307 8 0 "[ . 1 . 2]"
1 66 LYS 11.085 0.237 19 0 "[ . 1 . 2]"
1 67 VAL 26.151 0.277 15 0 "[ . 1 . 2]"
1 68 PHE 14.597 0.243 9 0 "[ . 1 . 2]"
1 69 LYS 11.129 0.224 15 0 "[ . 1 . 2]"
1 70 ASP 12.888 0.277 15 0 "[ . 1 . 2]"
1 71 ILE 17.469 0.277 15 0 "[ . 1 . 2]"
1 72 ASP 16.750 0.224 15 0 "[ . 1 . 2]"
1 73 ALA 9.794 0.181 5 0 "[ . 1 . 2]"
1 74 ALA 8.391 0.236 11 0 "[ . 1 . 2]"
1 75 ILE 12.678 0.254 8 0 "[ . 1 . 2]"
1 76 LEU 4.497 0.181 5 0 "[ . 1 . 2]"
1 77 GLU 5.125 0.228 3 0 "[ . 1 . 2]"
1 78 HIS 1.722 0.105 20 0 "[ . 1 . 2]"
1 79 HIS 0.073 0.042 2 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 2 ALA HA 1 3 THR HA . . 5.500 4.371 4.339 4.423 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 THR HB . . 5.500 5.574 5.536 5.610 0.110 14 0 "[ . 1 . 2]" 1
3 1 2 ALA HA 1 3 THR MG . . 3.500 3.673 3.649 3.688 0.188 16 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 4 PRO HA . . 5.500 4.345 4.273 4.483 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA MB 1 4 PRO QB . . 5.500 5.669 5.647 5.732 0.232 8 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 4 PRO QD . . 5.500 4.850 4.794 4.888 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 4 PRO QG . . 5.500 5.522 5.503 5.573 0.073 2 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 5 TRP HA . . 5.500 5.541 5.248 5.655 0.155 9 0 "[ . 1 . 2]" 1
9 1 3 THR H 1 3 THR HB . . 3.500 3.536 3.515 3.578 0.078 14 0 "[ . 1 . 2]" 1
10 1 3 THR HA 1 3 THR HB . . 2.700 2.487 2.439 2.542 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR HA 1 4 PRO HA . . 5.500 4.168 4.050 4.358 . 0 0 "[ . 1 . 2]" 1
12 1 3 THR HA 1 4 PRO QB . . 5.500 4.725 4.702 4.761 . 0 0 "[ . 1 . 2]" 1
13 1 3 THR HA 1 4 PRO HD2 . . 2.700 2.871 2.826 2.911 0.211 2 0 "[ . 1 . 2]" 1
14 1 3 THR HA 1 4 PRO HD3 . . 2.700 1.911 1.893 1.951 . 0 0 "[ . 1 . 2]" 1
15 1 3 THR HA 1 4 PRO QG . . 3.500 3.643 3.622 3.684 0.184 14 0 "[ . 1 . 2]" 1
16 1 3 THR HB 1 4 PRO HA . . 4.500 4.733 4.662 4.781 0.281 11 0 "[ . 1 . 2]" 1
17 1 3 THR HB 1 4 PRO QB . . 5.500 4.618 4.270 4.817 . 0 0 "[ . 1 . 2]" 1
18 1 3 THR HB 1 4 PRO HD2 . . 3.500 2.397 2.089 2.609 . 0 0 "[ . 1 . 2]" 1
19 1 3 THR HB 1 4 PRO HD3 . . 3.500 3.123 2.896 3.326 . 0 0 "[ . 1 . 2]" 1
20 1 3 THR HB 1 4 PRO QG . . 4.500 4.311 4.061 4.474 . 0 0 "[ . 1 . 2]" 1
21 1 3 THR MG 1 4 PRO HA . . 5.500 5.491 5.465 5.530 0.030 14 0 "[ . 1 . 2]" 1
22 1 3 THR MG 1 4 PRO HD2 . . 3.500 3.405 3.367 3.445 . 0 0 "[ . 1 . 2]" 1
23 1 3 THR MG 1 4 PRO HD3 . . 3.500 3.248 3.222 3.344 . 0 0 "[ . 1 . 2]" 1
24 1 3 THR MG 1 4 PRO QG . . 4.500 4.598 4.567 4.631 0.131 14 0 "[ . 1 . 2]" 1
25 1 4 PRO HA 1 5 TRP H . . 3.500 2.714 2.106 3.554 0.054 10 0 "[ . 1 . 2]" 1
26 1 4 PRO HA 1 5 TRP HA . . 5.500 4.493 4.254 4.856 . 0 0 "[ . 1 . 2]" 1
27 1 4 PRO HA 1 5 TRP QB . . 5.500 4.710 4.246 5.440 . 0 0 "[ . 1 . 2]" 1
28 1 4 PRO QB 1 5 TRP H . . 5.500 3.331 2.688 3.961 . 0 0 "[ . 1 . 2]" 1
29 1 4 PRO QB 1 5 TRP HA . . 5.500 4.716 4.408 5.068 . 0 0 "[ . 1 . 2]" 1
30 1 4 PRO QB 1 5 TRP QB . . 5.500 4.677 3.396 5.521 0.021 4 0 "[ . 1 . 2]" 1
31 1 5 TRP H 1 5 TRP QB . . 2.700 2.546 2.113 2.852 0.152 11 0 "[ . 1 . 2]" 1
32 1 5 TRP HA 1 6 SER H . . 3.500 3.418 2.087 3.588 0.088 14 0 "[ . 1 . 2]" 1
33 1 5 TRP HA 1 6 SER HA . . 5.500 4.801 4.464 4.977 . 0 0 "[ . 1 . 2]" 1
34 1 5 TRP HA 1 6 SER QB . . 5.500 5.353 4.034 5.542 0.042 10 0 "[ . 1 . 2]" 1
35 1 5 TRP HA 1 8 TYR HB2 . . 4.500 3.822 2.784 4.601 0.101 17 0 "[ . 1 . 2]" 1
36 1 5 TRP HA 1 8 TYR HB3 . . 4.500 3.901 2.789 4.600 0.100 10 0 "[ . 1 . 2]" 1
37 1 5 TRP HA 1 9 LEU MD1 . . 5.500 5.518 5.008 5.659 0.159 20 0 "[ . 1 . 2]" 1
38 1 5 TRP QB 1 6 SER HA . . 5.500 4.320 3.535 4.782 . 0 0 "[ . 1 . 2]" 1
39 1 5 TRP QB 1 6 SER QB . . 5.500 4.877 4.152 5.528 0.028 6 0 "[ . 1 . 2]" 1
40 1 5 TRP QB 1 8 TYR QB . . 5.500 4.165 2.712 5.042 . 0 0 "[ . 1 . 2]" 1
41 1 5 TRP QB 1 9 LEU MD1 . . 5.500 4.011 2.967 5.442 . 0 0 "[ . 1 . 2]" 1
42 1 5 TRP QB 1 9 LEU MD2 . . 5.500 4.508 3.055 5.546 0.046 14 0 "[ . 1 . 2]" 1
43 1 5 TRP HB2 1 6 SER H . . 4.500 3.784 2.165 4.445 . 0 0 "[ . 1 . 2]" 1
44 1 5 TRP HB3 1 6 SER H . . 4.500 3.982 2.670 4.540 0.040 9 0 "[ . 1 . 2]" 1
45 1 6 SER H 1 6 SER QB . . 2.700 2.514 2.199 2.726 0.026 19 0 "[ . 1 . 2]" 1
46 1 6 SER H 1 7 GLY H . . 4.500 2.810 1.893 3.285 . 0 0 "[ . 1 . 2]" 1
47 1 6 SER HA 1 7 GLY H . . 3.500 3.473 3.338 3.556 0.056 19 0 "[ . 1 . 2]" 1
48 1 6 SER HA 1 7 GLY QA . . 5.500 4.418 4.262 4.502 . 0 0 "[ . 1 . 2]" 1
49 1 6 SER HA 1 9 LEU QB . . 5.500 2.947 2.207 3.786 . 0 0 "[ . 1 . 2]" 1
50 1 6 SER HA 1 9 LEU MD1 . . 4.500 4.279 3.703 4.625 0.125 15 0 "[ . 1 . 2]" 1
51 1 6 SER HA 1 9 LEU HG . . 5.500 5.290 4.243 5.531 0.031 9 0 "[ . 1 . 2]" 1
52 1 6 SER QB 1 7 GLY H . . 5.500 3.453 2.613 3.865 . 0 0 "[ . 1 . 2]" 1
53 1 6 SER QB 1 9 LEU HB3 . . 5.500 5.131 4.273 5.528 0.028 11 0 "[ . 1 . 2]" 1
54 1 7 GLY H 1 7 GLY QA . . 2.700 2.289 2.221 2.423 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLY H 1 8 TYR H . . 4.500 2.540 2.049 2.923 . 0 0 "[ . 1 . 2]" 1
56 1 7 GLY QA 1 8 TYR H . . 3.500 2.938 2.768 3.002 . 0 0 "[ . 1 . 2]" 1
57 1 7 GLY QA 1 8 TYR HA . . 5.500 4.130 4.085 4.167 . 0 0 "[ . 1 . 2]" 1
58 1 8 TYR H 1 8 TYR HA . . 2.700 2.920 2.804 2.942 0.242 18 0 "[ . 1 . 2]" 1
59 1 8 TYR H 1 8 TYR QB . . 2.700 2.585 2.179 2.725 0.025 3 0 "[ . 1 . 2]" 1
60 1 8 TYR H 1 9 LEU H . . 3.500 1.996 1.779 2.845 . 0 0 "[ . 1 . 2]" 1
61 1 8 TYR HA 1 9 LEU H . . 3.500 3.369 3.062 3.563 0.063 11 0 "[ . 1 . 2]" 1
62 1 8 TYR HA 1 9 LEU HA . . 5.500 4.938 4.870 5.085 . 0 0 "[ . 1 . 2]" 1
63 1 8 TYR HA 1 11 ASP QB . . 4.500 4.034 3.494 4.519 0.019 9 0 "[ . 1 . 2]" 1
64 1 8 TYR HA 1 12 VAL QG . . 5.500 4.208 3.612 4.707 . 0 0 "[ . 1 . 2]" 1
65 1 8 TYR QB 1 9 LEU H . . 3.500 2.985 2.129 3.591 0.091 1 0 "[ . 1 . 2]" 1
66 1 9 LEU H 1 9 LEU QB . . 2.700 2.140 2.050 2.190 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU HA 1 9 LEU HB2 . . 2.700 2.419 2.354 2.476 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU HA 1 9 LEU MD1 . . 3.500 2.660 2.114 3.482 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU HA 1 10 ASP H . . 3.500 3.549 3.526 3.575 0.075 14 0 "[ . 1 . 2]" 1
70 1 9 LEU HA 1 12 VAL HB . . 3.500 2.511 2.069 2.872 . 0 0 "[ . 1 . 2]" 1
71 1 9 LEU HA 1 12 VAL QG . . 3.500 3.264 2.909 3.544 0.044 18 0 "[ . 1 . 2]" 1
72 1 9 LEU QB 1 10 ASP H . . 3.500 2.606 2.408 2.851 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU QB 1 10 ASP HA . . 5.500 4.284 4.105 4.445 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU QB 1 12 VAL HB . . 5.500 4.520 4.170 4.897 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU HB2 1 9 LEU MD2 . . 3.500 2.412 2.346 2.494 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU HB3 1 9 LEU MD2 . . 3.500 2.706 2.305 3.255 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU MD1 1 10 ASP HA . . 5.500 3.649 2.709 4.370 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU MD1 1 14 ALA HA . . 5.500 5.669 5.589 5.743 0.243 10 0 "[ . 1 . 2]" 1
79 1 9 LEU MD2 1 10 ASP HA . . 5.500 4.697 4.417 5.047 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU HG 1 10 ASP HA . . 5.500 4.256 3.131 5.586 0.086 11 0 "[ . 1 . 2]" 1
81 1 9 LEU HG 1 12 VAL HB . . 5.500 5.530 5.377 5.621 0.121 14 0 "[ . 1 . 2]" 1
82 1 10 ASP H 1 10 ASP QB . . 2.700 2.278 2.156 2.517 . 0 0 "[ . 1 . 2]" 1
83 1 10 ASP H 1 11 ASP H . . 4.500 2.912 2.838 3.030 . 0 0 "[ . 1 . 2]" 1
84 1 10 ASP HA 1 10 ASP HB2 . . 2.700 2.498 2.420 2.549 . 0 0 "[ . 1 . 2]" 1
85 1 10 ASP HA 1 11 ASP H . . 3.500 3.240 3.010 3.540 0.040 15 0 "[ . 1 . 2]" 1
86 1 10 ASP HA 1 13 SER QB . . 3.500 3.610 3.518 3.691 0.191 5 0 "[ . 1 . 2]" 1
87 1 11 ASP H 1 11 ASP QB . . 2.700 2.524 2.293 2.684 . 0 0 "[ . 1 . 2]" 1
88 1 11 ASP H 1 12 VAL H . . 4.500 1.992 1.853 2.326 . 0 0 "[ . 1 . 2]" 1
89 1 11 ASP HA 1 11 ASP HB2 . . 2.700 2.504 2.472 2.565 . 0 0 "[ . 1 . 2]" 1
90 1 11 ASP HA 1 12 VAL H . . 3.500 3.428 3.151 3.537 0.037 13 0 "[ . 1 . 2]" 1
91 1 11 ASP HA 1 12 VAL QG . . 4.500 4.594 4.478 4.721 0.221 10 0 "[ . 1 . 2]" 1
92 1 11 ASP HA 1 14 ALA H . . 5.500 3.903 3.612 4.151 . 0 0 "[ . 1 . 2]" 1
93 1 11 ASP HA 1 14 ALA HA . . 5.500 5.526 5.284 5.624 0.124 17 0 "[ . 1 . 2]" 1
94 1 11 ASP HA 1 14 ALA MB . . 3.500 2.665 2.375 3.141 . 0 0 "[ . 1 . 2]" 1
95 1 11 ASP QB 1 12 VAL H . . 3.500 2.915 2.355 3.565 0.065 9 0 "[ . 1 . 2]" 1
96 1 11 ASP QB 1 12 VAL HA . . 5.500 4.398 4.094 4.776 . 0 0 "[ . 1 . 2]" 1
97 1 11 ASP QB 1 12 VAL QG . . 5.500 3.046 2.733 3.425 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL H 1 12 VAL HA . . 2.700 2.875 2.808 2.948 0.248 17 0 "[ . 1 . 2]" 1
99 1 12 VAL H 1 12 VAL HB . . 2.700 2.314 2.209 2.480 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL H 1 12 VAL MG1 . . 4.500 3.710 3.655 3.792 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL H 1 12 VAL MG2 . . 2.700 2.371 2.100 2.790 0.090 5 0 "[ . 1 . 2]" 1
102 1 12 VAL H 1 13 SER H . . 2.700 2.574 2.117 2.787 0.087 13 0 "[ . 1 . 2]" 1
103 1 12 VAL HA 1 12 VAL QG . . 2.700 2.153 2.110 2.184 . 0 0 "[ . 1 . 2]" 1
104 1 12 VAL HA 1 13 SER H . . 3.500 3.559 3.532 3.581 0.081 9 0 "[ . 1 . 2]" 1
105 1 12 VAL HA 1 14 ALA MB . . 5.500 5.226 4.853 5.605 0.105 5 0 "[ . 1 . 2]" 1
106 1 12 VAL HA 1 15 LYS H . . 5.500 3.897 3.292 4.253 . 0 0 "[ . 1 . 2]" 1
107 1 12 VAL HA 1 15 LYS QB . . 3.500 3.268 2.366 3.662 0.162 2 0 "[ . 1 . 2]" 1
108 1 12 VAL HA 1 15 LYS QD . . 3.500 3.225 2.652 3.576 0.076 3 0 "[ . 1 . 2]" 1
109 1 12 VAL HA 1 15 LYS QG . . 4.500 4.378 3.841 4.628 0.128 13 0 "[ . 1 . 2]" 1
110 1 12 VAL HB 1 13 SER H . . 2.700 2.419 2.242 2.705 0.005 13 0 "[ . 1 . 2]" 1
111 1 12 VAL QG 1 13 SER HA . . 3.500 3.423 3.239 3.529 0.029 13 0 "[ . 1 . 2]" 1
112 1 12 VAL QG 1 13 SER QB . . 3.500 3.553 3.513 3.574 0.074 10 0 "[ . 1 . 2]" 1
113 1 13 SER H 1 13 SER HA . . 2.700 2.875 2.828 2.927 0.227 1 0 "[ . 1 . 2]" 1
114 1 13 SER H 1 13 SER QB . . 2.700 2.227 2.167 2.299 . 0 0 "[ . 1 . 2]" 1
115 1 13 SER H 1 14 ALA H . . 2.700 2.532 2.315 2.699 . 0 0 "[ . 1 . 2]" 1
116 1 13 SER HA 1 13 SER HB2 . . 2.700 2.424 2.378 2.472 . 0 0 "[ . 1 . 2]" 1
117 1 13 SER HA 1 14 ALA H . . 3.500 3.560 3.521 3.591 0.091 17 0 "[ . 1 . 2]" 1
118 1 13 SER HA 1 14 ALA MB . . 5.500 5.023 4.951 5.082 . 0 0 "[ . 1 . 2]" 1
119 1 13 SER HA 1 16 PHE H . . 5.500 3.682 3.272 3.992 . 0 0 "[ . 1 . 2]" 1
120 1 13 SER HA 1 16 PHE QB . . 3.500 3.448 2.803 3.714 0.214 18 0 "[ . 1 . 2]" 1
121 1 13 SER QB 1 14 ALA HA . . 4.500 4.046 3.870 4.224 . 0 0 "[ . 1 . 2]" 1
122 1 13 SER QB 1 14 ALA MB . . 4.500 3.840 3.424 4.089 . 0 0 "[ . 1 . 2]" 1
123 1 13 SER HB2 1 14 ALA H . . 4.500 3.908 3.702 4.061 . 0 0 "[ . 1 . 2]" 1
124 1 13 SER HB3 1 14 ALA H . . 3.500 2.620 2.274 2.914 . 0 0 "[ . 1 . 2]" 1
125 1 14 ALA H 1 14 ALA HA . . 2.700 2.761 2.710 2.807 0.107 3 0 "[ . 1 . 2]" 1
126 1 14 ALA H 1 14 ALA MB . . 2.700 2.235 2.147 2.326 . 0 0 "[ . 1 . 2]" 1
127 1 14 ALA H 1 15 LYS H . . 3.500 2.842 2.721 3.049 . 0 0 "[ . 1 . 2]" 1
128 1 14 ALA HA 1 17 ASP H . . 4.500 3.012 2.674 3.665 . 0 0 "[ . 1 . 2]" 1
129 1 14 ALA HA 1 17 ASP HA . . 5.500 4.553 4.206 5.153 . 0 0 "[ . 1 . 2]" 1
130 1 14 ALA HA 1 17 ASP QB . . 3.500 2.293 1.967 3.532 0.032 2 0 "[ . 1 . 2]" 1
131 1 14 ALA MB 1 16 PHE QD . . 5.500 5.409 3.853 5.685 0.185 18 0 "[ . 1 . 2]" 1
132 1 14 ALA MB 1 17 ASP HA . . 5.500 5.602 5.524 5.684 0.184 10 0 "[ . 1 . 2]" 1
133 1 14 ALA MB 1 17 ASP QB . . 4.500 3.287 3.018 3.756 . 0 0 "[ . 1 . 2]" 1
134 1 15 LYS H 1 15 LYS HA . . 2.700 2.808 2.774 2.848 0.148 9 0 "[ . 1 . 2]" 1
135 1 15 LYS H 1 15 LYS QB . . 2.700 2.135 1.955 2.259 . 0 0 "[ . 1 . 2]" 1
136 1 15 LYS H 1 16 PHE H . . 3.500 2.774 2.689 2.936 . 0 0 "[ . 1 . 2]" 1
137 1 15 LYS H 1 17 ASP H . . 5.500 4.182 3.911 4.539 . 0 0 "[ . 1 . 2]" 1
138 1 15 LYS HA 1 15 LYS QD . . 4.500 4.294 2.664 4.551 0.051 15 0 "[ . 1 . 2]" 1
139 1 15 LYS HA 1 15 LYS QE . . 4.500 4.142 3.531 4.539 0.039 17 0 "[ . 1 . 2]" 1
140 1 15 LYS HA 1 16 PHE H . . 3.500 3.485 3.370 3.566 0.066 10 0 "[ . 1 . 2]" 1
141 1 15 LYS HA 1 16 PHE HA . . 5.500 4.747 4.600 4.924 . 0 0 "[ . 1 . 2]" 1
142 1 15 LYS HA 1 16 PHE QB . . 5.500 5.307 5.002 5.515 0.015 7 0 "[ . 1 . 2]" 1
143 1 15 LYS QB 1 16 PHE H . . 3.500 3.208 2.388 3.624 0.124 11 0 "[ . 1 . 2]" 1
144 1 15 LYS QB 1 16 PHE HA . . 5.500 4.722 3.990 5.135 . 0 0 "[ . 1 . 2]" 1
145 1 15 LYS QG 1 16 PHE HA . . 5.500 3.873 3.310 5.583 0.083 9 0 "[ . 1 . 2]" 1
146 1 15 LYS QG 1 61 GLN QG . . 4.500 4.434 3.726 4.578 0.078 6 0 "[ . 1 . 2]" 1
147 1 16 PHE H 1 16 PHE HA . . 2.700 2.878 2.803 2.943 0.243 11 0 "[ . 1 . 2]" 1
148 1 16 PHE H 1 16 PHE QB . . 2.700 2.335 1.997 2.702 0.002 18 0 "[ . 1 . 2]" 1
149 1 16 PHE H 1 17 ASP H . . 2.700 2.484 1.844 2.788 0.088 3 0 "[ . 1 . 2]" 1
150 1 16 PHE HA 1 18 THR MG . . 5.500 4.834 3.952 5.577 0.077 3 0 "[ . 1 . 2]" 1
151 1 16 PHE HA 1 19 GLY H . . 4.500 3.735 3.235 4.478 . 0 0 "[ . 1 . 2]" 1
152 1 16 PHE HA 1 20 VAL QG . . 4.500 4.476 3.609 4.662 0.162 11 0 "[ . 1 . 2]" 1
153 1 16 PHE HA 1 61 GLN QG . . 5.500 3.827 2.602 5.527 0.027 11 0 "[ . 1 . 2]" 1
154 1 16 PHE QB 1 17 ASP H . . 3.500 3.122 2.313 3.678 0.178 10 0 "[ . 1 . 2]" 1
155 1 16 PHE QB 1 17 ASP HA . . 5.500 4.283 3.601 5.014 . 0 0 "[ . 1 . 2]" 1
156 1 16 PHE QB 1 20 VAL QG . . 4.500 3.761 2.571 4.586 0.086 12 0 "[ . 1 . 2]" 1
157 1 16 PHE HB2 1 61 GLN QG . . 4.500 3.488 2.152 4.568 0.068 13 0 "[ . 1 . 2]" 1
158 1 16 PHE HB3 1 61 GLN QG . . 4.500 3.670 2.193 4.475 . 0 0 "[ . 1 . 2]" 1
159 1 17 ASP H 1 17 ASP HA . . 2.700 2.690 2.501 2.913 0.213 3 0 "[ . 1 . 2]" 1
160 1 17 ASP H 1 17 ASP QB . . 2.700 2.199 2.134 2.458 . 0 0 "[ . 1 . 2]" 1
161 1 17 ASP H 1 18 THR H . . 3.500 3.145 2.153 3.640 0.140 13 0 "[ . 1 . 2]" 1
162 1 17 ASP H 1 19 GLY H . . 5.500 4.474 3.711 4.836 . 0 0 "[ . 1 . 2]" 1
163 1 17 ASP HA 1 17 ASP HB2 . . 2.700 2.472 2.366 2.537 . 0 0 "[ . 1 . 2]" 1
164 1 17 ASP HA 1 18 THR H . . 3.500 3.515 3.385 3.587 0.087 17 0 "[ . 1 . 2]" 1
165 1 17 ASP HA 1 18 THR HA . . 5.500 4.590 4.516 4.650 . 0 0 "[ . 1 . 2]" 1
166 1 17 ASP HA 1 18 THR HB . . 5.500 5.487 4.995 5.559 0.059 18 0 "[ . 1 . 2]" 1
167 1 17 ASP HA 1 18 THR MG . . 5.500 5.366 5.230 5.516 0.016 9 0 "[ . 1 . 2]" 1
168 1 17 ASP HA 1 20 VAL HB . . 3.500 3.642 3.522 3.735 0.235 16 0 "[ . 1 . 2]" 1
169 1 17 ASP HA 1 20 VAL QG . . 3.500 2.359 2.003 2.954 . 0 0 "[ . 1 . 2]" 1
170 1 17 ASP QB 1 18 THR H . . 3.500 2.928 2.293 3.385 . 0 0 "[ . 1 . 2]" 1
171 1 18 THR H 1 18 THR HA . . 2.700 2.912 2.836 2.936 0.236 10 0 "[ . 1 . 2]" 1
172 1 18 THR H 1 18 THR HB . . 2.700 2.598 2.358 2.816 0.116 3 0 "[ . 1 . 2]" 1
173 1 18 THR H 1 18 THR MG . . 2.700 2.320 2.179 2.502 . 0 0 "[ . 1 . 2]" 1
174 1 18 THR H 1 19 GLY H . . 2.700 2.385 2.047 2.736 0.036 13 0 "[ . 1 . 2]" 1
175 1 18 THR HA 1 18 THR HB . . 2.700 2.516 2.460 2.583 . 0 0 "[ . 1 . 2]" 1
176 1 18 THR HA 1 18 THR MG . . 3.500 3.206 3.190 3.228 . 0 0 "[ . 1 . 2]" 1
177 1 18 THR HA 1 19 GLY H . . 3.500 3.516 3.476 3.545 0.045 20 0 "[ . 1 . 2]" 1
178 1 18 THR HA 1 21 ASP H . . 4.500 3.335 3.021 3.573 . 0 0 "[ . 1 . 2]" 1
179 1 18 THR HA 1 21 ASP HA . . 5.500 5.190 5.004 5.392 . 0 0 "[ . 1 . 2]" 1
180 1 18 THR HA 1 21 ASP QB . . 3.500 2.331 2.142 2.643 . 0 0 "[ . 1 . 2]" 1
181 1 18 THR HB 1 19 GLY H . . 4.500 4.065 3.935 4.215 . 0 0 "[ . 1 . 2]" 1
182 1 18 THR MG 1 19 GLY HA3 . . 4.500 3.754 3.603 3.944 . 0 0 "[ . 1 . 2]" 1
183 1 18 THR MG 1 21 ASP QB . . 4.500 4.619 4.571 4.686 0.186 13 0 "[ . 1 . 2]" 1
184 1 19 GLY H 1 19 GLY QA . . 2.700 2.269 2.222 2.318 . 0 0 "[ . 1 . 2]" 1
185 1 19 GLY H 1 20 VAL H . . 2.700 2.471 2.253 2.691 . 0 0 "[ . 1 . 2]" 1
186 1 19 GLY QA 1 20 VAL H . . 2.700 2.709 2.673 2.730 0.030 3 0 "[ . 1 . 2]" 1
187 1 19 GLY QA 1 20 VAL QG . . 4.500 4.327 4.147 4.445 . 0 0 "[ . 1 . 2]" 1
188 1 19 GLY QA 1 22 ASN H . . 5.500 3.212 3.109 3.320 . 0 0 "[ . 1 . 2]" 1
189 1 19 GLY HA3 1 22 ASN QB . . 4.500 4.582 4.515 4.633 0.133 3 0 "[ . 1 . 2]" 1
190 1 20 VAL H 1 20 VAL HA . . 2.700 2.824 2.798 2.850 0.150 6 0 "[ . 1 . 2]" 1
191 1 20 VAL H 1 20 VAL HB . . 2.700 2.182 2.111 2.230 . 0 0 "[ . 1 . 2]" 1
192 1 20 VAL H 1 21 ASP H . . 3.500 2.740 2.661 2.848 . 0 0 "[ . 1 . 2]" 1
193 1 20 VAL HA 1 20 VAL HB . . 2.700 2.704 2.618 2.802 0.102 9 0 "[ . 1 . 2]" 1
194 1 20 VAL HA 1 20 VAL MG1 . . 3.500 3.245 3.136 3.288 . 0 0 "[ . 1 . 2]" 1
195 1 20 VAL HA 1 20 VAL QG . . 2.700 2.141 2.093 2.222 . 0 0 "[ . 1 . 2]" 1
196 1 20 VAL HA 1 20 VAL MG2 . . 2.700 2.172 2.120 2.260 . 0 0 "[ . 1 . 2]" 1
197 1 20 VAL HA 1 21 ASP H . . 3.500 3.502 3.470 3.526 0.026 17 0 "[ . 1 . 2]" 1
198 1 20 VAL HA 1 21 ASP HA . . 4.500 4.644 4.622 4.687 0.187 18 0 "[ . 1 . 2]" 1
199 1 20 VAL HA 1 21 ASP QB . . 5.500 5.060 5.031 5.111 . 0 0 "[ . 1 . 2]" 1
200 1 20 VAL HA 1 23 LEU H . . 5.500 3.382 3.232 3.451 . 0 0 "[ . 1 . 2]" 1
201 1 20 VAL HA 1 23 LEU HA . . 5.500 5.584 5.470 5.621 0.121 14 0 "[ . 1 . 2]" 1
202 1 20 VAL HA 1 23 LEU HB2 . . 3.500 3.207 3.111 3.291 . 0 0 "[ . 1 . 2]" 1
203 1 20 VAL HA 1 23 LEU QB . . 4.500 3.023 2.961 3.101 . 0 0 "[ . 1 . 2]" 1
204 1 20 VAL HA 1 23 LEU HB3 . . 4.500 3.705 3.579 3.825 . 0 0 "[ . 1 . 2]" 1
205 1 20 VAL HA 1 23 LEU MD1 . . 5.500 5.518 4.930 5.613 0.113 14 0 "[ . 1 . 2]" 1
206 1 20 VAL HA 1 23 LEU MD2 . . 5.500 5.174 5.018 5.530 0.030 6 0 "[ . 1 . 2]" 1
207 1 20 VAL HA 1 23 LEU HG . . 5.500 5.101 4.981 5.809 0.309 6 0 "[ . 1 . 2]" 1
208 1 20 VAL HA 1 57 TYR QE . . 4.500 3.370 3.196 3.566 . 0 0 "[ . 1 . 2]" 1
209 1 20 VAL HB 1 21 ASP H . . 3.500 3.560 3.461 3.615 0.115 11 0 "[ . 1 . 2]" 1
210 1 20 VAL HB 1 21 ASP HA . . 5.500 5.423 5.298 5.502 0.002 11 0 "[ . 1 . 2]" 1
211 1 20 VAL HB 1 21 ASP HB2 . . 5.500 5.542 5.413 5.598 0.098 6 0 "[ . 1 . 2]" 1
212 1 20 VAL HB 1 21 ASP HB3 . . 5.500 5.649 5.523 5.696 0.196 11 0 "[ . 1 . 2]" 1
213 1 20 VAL QG 1 21 ASP HA . . 3.500 3.012 2.944 3.093 . 0 0 "[ . 1 . 2]" 1
214 1 20 VAL QG 1 21 ASP HB2 . . 3.500 2.975 2.869 3.060 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL QG 1 21 ASP QB . . 4.500 2.821 2.715 2.910 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL QG 1 21 ASP HB3 . . 3.500 3.505 3.356 3.641 0.141 18 0 "[ . 1 . 2]" 1
217 1 20 VAL QG 1 23 LEU HA . . 5.500 5.533 5.437 5.600 0.100 16 0 "[ . 1 . 2]" 1
218 1 20 VAL QG 1 24 GLN QB . . 4.500 2.847 2.580 3.029 . 0 0 "[ . 1 . 2]" 1
219 1 20 VAL QG 1 24 GLN QG . . 4.500 3.928 3.627 4.125 . 0 0 "[ . 1 . 2]" 1
220 1 20 VAL QG 1 54 TYR HA . . 4.500 4.364 4.148 4.540 0.040 16 0 "[ . 1 . 2]" 1
221 1 20 VAL QG 1 57 TYR HA . . 5.500 5.626 5.587 5.657 0.157 15 0 "[ . 1 . 2]" 1
222 1 20 VAL QG 1 57 TYR HB2 . . 5.500 4.801 4.672 4.958 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL QG 1 57 TYR HB3 . . 5.500 3.848 3.760 3.938 . 0 0 "[ . 1 . 2]" 1
224 1 20 VAL QG 1 58 ARG QB . . 4.500 4.201 3.729 4.518 0.018 16 0 "[ . 1 . 2]" 1
225 1 20 VAL QG 1 58 ARG HD2 . . 3.500 2.741 2.245 3.070 . 0 0 "[ . 1 . 2]" 1
226 1 20 VAL QG 1 58 ARG HD3 . . 3.500 2.922 2.427 3.285 . 0 0 "[ . 1 . 2]" 1
227 1 20 VAL QG 1 58 ARG QG . . 4.500 4.206 3.766 4.554 0.054 2 0 "[ . 1 . 2]" 1
228 1 21 ASP H 1 21 ASP HA . . 2.700 2.796 2.769 2.822 0.122 10 0 "[ . 1 . 2]" 1
229 1 21 ASP H 1 21 ASP QB . . 2.700 2.100 2.061 2.145 . 0 0 "[ . 1 . 2]" 1
230 1 21 ASP HA 1 21 ASP HB2 . . 2.700 2.313 2.302 2.330 . 0 0 "[ . 1 . 2]" 1
231 1 21 ASP HA 1 24 GLN H . . 4.500 2.746 2.612 3.181 . 0 0 "[ . 1 . 2]" 1
232 1 21 ASP HA 1 24 GLN HA . . 5.500 4.443 4.356 4.858 . 0 0 "[ . 1 . 2]" 1
233 1 21 ASP HA 1 24 GLN QB . . 2.700 1.934 1.921 2.005 . 0 0 "[ . 1 . 2]" 1
234 1 21 ASP HA 1 24 GLN QG . . 3.500 3.459 3.136 3.531 0.031 11 0 "[ . 1 . 2]" 1
235 1 21 ASP HA 1 25 THR MG . . 4.500 4.600 4.582 4.618 0.118 10 0 "[ . 1 . 2]" 1
236 1 21 ASP QB 1 22 ASN H . . 3.500 3.216 3.073 3.339 . 0 0 "[ . 1 . 2]" 1
237 1 21 ASP QB 1 25 THR MG . . 5.500 5.052 5.019 5.082 . 0 0 "[ . 1 . 2]" 1
238 1 21 ASP HB2 1 24 GLN QB . . 4.500 3.522 3.409 4.012 . 0 0 "[ . 1 . 2]" 1
239 1 21 ASP HB2 1 24 GLN QG . . 4.500 4.320 4.250 4.520 0.020 18 0 "[ . 1 . 2]" 1
240 1 21 ASP HB2 1 25 THR HB . . 5.500 5.583 5.530 5.619 0.119 12 0 "[ . 1 . 2]" 1
241 1 21 ASP HB3 1 24 GLN QB . . 5.500 4.434 4.363 4.830 . 0 0 "[ . 1 . 2]" 1
242 1 21 ASP HB3 1 24 GLN QG . . 5.500 5.664 5.619 5.705 0.205 12 0 "[ . 1 . 2]" 1
243 1 21 ASP HB3 1 25 THR HB . . 5.500 5.571 5.523 5.618 0.118 13 0 "[ . 1 . 2]" 1
244 1 22 ASN H 1 22 ASN HA . . 2.700 2.876 2.865 2.892 0.192 11 0 "[ . 1 . 2]" 1
245 1 22 ASN H 1 22 ASN QB . . 2.700 2.395 2.330 2.453 . 0 0 "[ . 1 . 2]" 1
246 1 22 ASN H 1 23 LEU H . . 3.500 2.536 2.458 2.614 . 0 0 "[ . 1 . 2]" 1
247 1 22 ASN HA 1 23 LEU H . . 3.500 3.505 3.489 3.518 0.018 16 0 "[ . 1 . 2]" 1
248 1 22 ASN HA 1 25 THR H . . 4.500 3.667 3.633 3.740 . 0 0 "[ . 1 . 2]" 1
249 1 22 ASN HA 1 25 THR HA . . 5.500 5.655 5.636 5.677 0.177 13 0 "[ . 1 . 2]" 1
250 1 22 ASN HA 1 25 THR HB . . 3.500 3.619 3.594 3.633 0.133 5 0 "[ . 1 . 2]" 1
251 1 22 ASN HA 1 26 GLN H . . 5.500 4.156 4.075 4.229 . 0 0 "[ . 1 . 2]" 1
252 1 22 ASN QB 1 23 LEU H . . 3.500 2.788 2.749 2.951 . 0 0 "[ . 1 . 2]" 1
253 1 22 ASN QB 1 23 LEU HG . . 5.500 5.651 4.611 5.743 0.243 11 0 "[ . 1 . 2]" 1
254 1 22 ASN QB 1 25 THR MG . . 3.500 3.583 3.550 3.597 0.097 20 0 "[ . 1 . 2]" 1
255 1 22 ASN HB2 1 23 LEU HA . . 4.500 4.528 4.482 4.614 0.114 6 0 "[ . 1 . 2]" 1
256 1 22 ASN HB3 1 23 LEU HA . . 4.500 4.487 4.272 4.586 0.086 6 0 "[ . 1 . 2]" 1
257 1 23 LEU H 1 23 LEU HA . . 2.700 2.880 2.866 2.896 0.196 18 0 "[ . 1 . 2]" 1
258 1 23 LEU H 1 23 LEU QB . . 2.700 2.239 2.207 2.402 . 0 0 "[ . 1 . 2]" 1
259 1 23 LEU H 1 24 GLN H . . 4.500 2.435 2.380 2.517 . 0 0 "[ . 1 . 2]" 1
260 1 23 LEU HA 1 23 LEU MD1 . . 3.500 2.218 2.109 3.540 0.040 6 0 "[ . 1 . 2]" 1
261 1 23 LEU HA 1 24 GLN H . . 3.500 3.530 3.519 3.546 0.046 10 0 "[ . 1 . 2]" 1
262 1 23 LEU HA 1 25 THR MG . . 5.500 4.010 3.872 4.102 . 0 0 "[ . 1 . 2]" 1
263 1 23 LEU HA 1 26 GLN H . . 4.500 3.527 3.372 3.579 . 0 0 "[ . 1 . 2]" 1
264 1 23 LEU HA 1 26 GLN HA . . 5.500 5.357 5.204 5.414 . 0 0 "[ . 1 . 2]" 1
265 1 23 LEU HA 1 26 GLN HB2 . . 3.500 2.449 2.354 2.497 . 0 0 "[ . 1 . 2]" 1
266 1 23 LEU HA 1 26 GLN HB3 . . 3.500 3.499 3.333 3.574 0.074 12 0 "[ . 1 . 2]" 1
267 1 23 LEU HA 1 27 VAL H . . 5.500 4.070 3.997 4.110 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU HA 1 54 TYR HA . . 5.500 4.730 4.649 4.968 . 0 0 "[ . 1 . 2]" 1
269 1 23 LEU HA 1 54 TYR HB3 . . 5.500 5.647 5.619 5.687 0.187 20 0 "[ . 1 . 2]" 1
270 1 23 LEU HA 1 54 TYR QD . . 5.500 5.310 4.822 5.504 0.004 19 0 "[ . 1 . 2]" 1
271 1 23 LEU HA 1 57 TYR HB2 . . 5.500 5.206 5.027 5.560 0.060 6 0 "[ . 1 . 2]" 1
272 1 23 LEU HA 1 57 TYR HB3 . . 5.500 5.451 5.335 5.591 0.091 6 0 "[ . 1 . 2]" 1
273 1 23 LEU QB 1 24 GLN H . . 4.500 2.747 2.665 3.016 . 0 0 "[ . 1 . 2]" 1
274 1 23 LEU QB 1 53 GLU QB . . 5.500 4.615 4.492 4.655 . 0 0 "[ . 1 . 2]" 1
275 1 23 LEU QB 1 54 TYR HA . . 4.500 2.489 2.373 2.668 . 0 0 "[ . 1 . 2]" 1
276 1 23 LEU QB 1 54 TYR HB2 . . 5.500 2.301 2.192 2.352 . 0 0 "[ . 1 . 2]" 1
277 1 23 LEU QB 1 54 TYR QB . . 5.500 2.285 2.178 2.333 . 0 0 "[ . 1 . 2]" 1
278 1 23 LEU QB 1 54 TYR QE . . 4.500 4.692 4.651 4.735 0.235 3 0 "[ . 1 . 2]" 1
279 1 23 LEU HB2 1 54 TYR HA . . 4.500 3.505 3.413 3.675 . 0 0 "[ . 1 . 2]" 1
280 1 23 LEU HB2 1 54 TYR HB2 . . 5.500 4.000 3.937 4.056 . 0 0 "[ . 1 . 2]" 1
281 1 23 LEU HB2 1 54 TYR HB3 . . 5.500 5.556 5.504 5.597 0.097 11 0 "[ . 1 . 2]" 1
282 1 23 LEU HB3 1 54 TYR HA . . 4.500 2.547 2.420 2.740 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU HB3 1 54 TYR HB2 . . 5.500 2.316 2.203 2.367 . 0 0 "[ . 1 . 2]" 1
284 1 23 LEU HB3 1 54 TYR HB3 . . 5.500 3.963 3.824 4.018 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU MD1 1 26 GLN QB . . 5.500 2.636 2.475 4.356 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU MD1 1 50 LYS HA . . 4.500 3.505 3.355 4.617 0.117 6 0 "[ . 1 . 2]" 1
287 1 23 LEU MD1 1 50 LYS HB3 . . 5.500 3.518 3.331 5.328 . 0 0 "[ . 1 . 2]" 1
288 1 23 LEU MD1 1 50 LYS QD . . 5.500 3.792 3.336 5.174 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU MD1 1 50 LYS HE2 . . 4.500 2.404 2.159 3.824 . 0 0 "[ . 1 . 2]" 1
290 1 23 LEU MD1 1 50 LYS HE3 . . 4.500 2.773 1.974 3.845 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU MD1 1 50 LYS QG . . 5.500 4.533 4.291 5.596 0.096 6 0 "[ . 1 . 2]" 1
292 1 23 LEU MD1 1 53 GLU HA . . 4.500 3.900 3.821 3.964 . 0 0 "[ . 1 . 2]" 1
293 1 23 LEU MD1 1 53 GLU QB . . 2.700 1.933 1.887 2.144 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU MD1 1 53 GLU HG2 . . 4.500 4.123 4.037 4.590 0.090 6 0 "[ . 1 . 2]" 1
295 1 23 LEU MD1 1 53 GLU QG . . 3.500 3.279 3.193 3.516 0.016 6 0 "[ . 1 . 2]" 1
296 1 23 LEU MD1 1 53 GLU HG3 . . 3.500 3.443 3.345 3.651 0.151 6 0 "[ . 1 . 2]" 1
297 1 23 LEU MD1 1 54 TYR HA . . 2.700 2.458 2.189 2.544 . 0 0 "[ . 1 . 2]" 1
298 1 23 LEU MD1 1 54 TYR QB . . 5.500 2.042 1.957 3.393 . 0 0 "[ . 1 . 2]" 1
299 1 23 LEU MD1 1 57 TYR HA . . 5.500 5.562 3.613 5.703 0.203 17 0 "[ . 1 . 2]" 1
300 1 23 LEU MD1 1 57 TYR HB2 . . 4.500 3.987 2.107 4.128 . 0 0 "[ . 1 . 2]" 1
301 1 23 LEU MD1 1 57 TYR QB . . 3.500 3.479 1.950 3.593 0.093 18 0 "[ . 1 . 2]" 1
302 1 23 LEU MD1 1 57 TYR HB3 . . 4.500 3.837 2.298 3.966 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU MD2 1 26 GLN QB . . 4.500 3.321 2.665 3.461 . 0 0 "[ . 1 . 2]" 1
304 1 23 LEU MD2 1 53 GLU HA . . 4.500 4.486 4.183 4.545 0.045 10 0 "[ . 1 . 2]" 1
305 1 23 LEU MD2 1 53 GLU QB . . 2.700 2.499 2.128 2.575 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU MD2 1 53 GLU HG2 . . 5.500 4.897 4.057 4.962 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU MD2 1 53 GLU QG . . 3.500 3.584 3.299 3.610 0.110 17 0 "[ . 1 . 2]" 1
308 1 23 LEU MD2 1 53 GLU HG3 . . 3.500 3.688 3.492 3.709 0.209 17 0 "[ . 1 . 2]" 1
309 1 23 LEU MD2 1 54 TYR HA . . 3.500 3.536 2.216 3.618 0.118 13 0 "[ . 1 . 2]" 1
310 1 23 LEU MD2 1 54 TYR HB2 . . 4.500 4.309 2.092 4.487 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU MD2 1 54 TYR QB . . 5.500 4.078 2.028 4.238 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU MD2 1 54 TYR HB3 . . 5.500 5.042 2.726 5.208 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU MD2 1 57 TYR HA . . 5.500 4.331 4.121 5.672 0.172 6 0 "[ . 1 . 2]" 1
314 1 23 LEU MD2 1 57 TYR HB2 . . 4.500 2.631 2.485 4.154 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU MD2 1 57 TYR QB . . 4.500 2.545 2.437 3.470 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU MD2 1 57 TYR HB3 . . 3.500 3.563 3.524 3.718 0.218 6 0 "[ . 1 . 2]" 1
317 1 23 LEU HG 1 26 GLN HB2 . . 5.500 5.494 3.614 5.621 0.121 16 0 "[ . 1 . 2]" 1
318 1 23 LEU HG 1 53 GLU QB . . 5.500 3.449 3.354 4.104 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU HG 1 54 TYR HA . . 4.500 2.086 1.955 4.284 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU HG 1 54 TYR HB2 . . 5.500 3.425 3.250 4.377 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU HG 1 54 TYR QB . . 5.500 3.315 3.160 4.233 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU HG 1 54 TYR HB3 . . 5.500 4.417 4.292 5.625 0.125 6 0 "[ . 1 . 2]" 1
323 1 24 GLN H 1 24 GLN HA . . 2.700 2.773 2.763 2.793 0.093 18 0 "[ . 1 . 2]" 1
324 1 24 GLN H 1 24 GLN QB . . 2.700 2.151 2.112 2.232 . 0 0 "[ . 1 . 2]" 1
325 1 24 GLN H 1 25 THR H . . 3.500 2.956 2.882 3.001 . 0 0 "[ . 1 . 2]" 1
326 1 24 GLN HA 1 24 GLN HB2 . . 2.700 2.605 2.260 2.644 . 0 0 "[ . 1 . 2]" 1
327 1 24 GLN HA 1 24 GLN QG . . 2.700 2.733 2.642 2.834 0.134 10 0 "[ . 1 . 2]" 1
328 1 24 GLN HA 1 25 THR H . . 4.500 3.625 3.617 3.650 . 0 0 "[ . 1 . 2]" 1
329 1 24 GLN HA 1 27 VAL MG1 . . 4.500 2.463 2.355 2.639 . 0 0 "[ . 1 . 2]" 1
330 1 24 GLN QB 1 25 THR H . . 2.700 2.394 2.337 2.781 0.081 18 0 "[ . 1 . 2]" 1
331 1 24 GLN QB 1 25 THR HA . . 5.500 3.964 3.914 4.588 . 0 0 "[ . 1 . 2]" 1
332 1 24 GLN QB 1 27 VAL MG1 . . 4.500 4.285 3.930 4.443 . 0 0 "[ . 1 . 2]" 1
333 1 24 GLN QB 1 27 VAL MG2 . . 4.500 4.014 3.580 4.111 . 0 0 "[ . 1 . 2]" 1
334 1 24 GLN QB 1 28 THR MG . . 5.500 5.634 5.616 5.699 0.199 18 0 "[ . 1 . 2]" 1
335 1 24 GLN QB 1 54 TYR QD . . 5.500 3.918 3.164 4.414 . 0 0 "[ . 1 . 2]" 1
336 1 24 GLN HB2 1 54 TYR QE . . 5.500 4.277 3.076 5.021 . 0 0 "[ . 1 . 2]" 1
337 1 24 GLN QG 1 25 THR HA . . 4.500 4.056 3.360 4.205 . 0 0 "[ . 1 . 2]" 1
338 1 24 GLN QG 1 27 VAL MG1 . . 4.500 4.556 4.511 4.619 0.119 12 0 "[ . 1 . 2]" 1
339 1 24 GLN QG 1 27 VAL MG2 . . 4.500 3.297 3.229 3.398 . 0 0 "[ . 1 . 2]" 1
340 1 24 GLN QG 1 28 THR HB . . 4.500 4.467 3.997 4.559 0.059 12 0 "[ . 1 . 2]" 1
341 1 24 GLN QG 1 28 THR MG . . 4.500 4.344 3.954 4.438 . 0 0 "[ . 1 . 2]" 1
342 1 25 THR H 1 25 THR HA . . 2.700 2.796 2.791 2.801 0.101 12 0 "[ . 1 . 2]" 1
343 1 25 THR H 1 25 THR HB . . 2.700 2.288 2.266 2.366 . 0 0 "[ . 1 . 2]" 1
344 1 25 THR H 1 25 THR MG . . 2.700 2.379 2.354 2.459 . 0 0 "[ . 1 . 2]" 1
345 1 25 THR H 1 26 GLN H . . 2.700 2.746 2.735 2.781 0.081 18 0 "[ . 1 . 2]" 1
346 1 25 THR HA 1 25 THR HB . . 2.700 2.492 2.481 2.505 . 0 0 "[ . 1 . 2]" 1
347 1 25 THR HA 1 25 THR MG . . 3.500 3.258 3.247 3.266 . 0 0 "[ . 1 . 2]" 1
348 1 25 THR HA 1 26 GLN H . . 3.500 3.503 3.485 3.511 0.011 16 0 "[ . 1 . 2]" 1
349 1 25 THR HA 1 28 THR H . . 4.500 3.663 3.628 3.754 . 0 0 "[ . 1 . 2]" 1
350 1 25 THR HA 1 28 THR HB . . 2.700 2.728 2.673 2.768 0.068 18 0 "[ . 1 . 2]" 1
351 1 25 THR HA 1 29 GLU H . . 5.500 4.129 4.088 4.164 . 0 0 "[ . 1 . 2]" 1
352 1 25 THR HA 1 29 GLU HB2 . . 5.500 5.492 5.430 5.530 0.030 12 0 "[ . 1 . 2]" 1
353 1 25 THR HA 1 29 GLU HG2 . . 5.500 5.561 5.547 5.575 0.075 12 0 "[ . 1 . 2]" 1
354 1 25 THR HA 1 29 GLU HG3 . . 4.500 3.938 3.914 3.962 . 0 0 "[ . 1 . 2]" 1
355 1 25 THR HB 1 26 GLN H . . 3.500 3.673 3.658 3.691 0.191 3 0 "[ . 1 . 2]" 1
356 1 25 THR HB 1 29 GLU HG3 . . 5.500 5.603 5.562 5.636 0.136 7 0 "[ . 1 . 2]" 1
357 1 25 THR MG 1 26 GLN HA . . 3.500 3.437 3.393 3.502 0.002 10 0 "[ . 1 . 2]" 1
358 1 25 THR MG 1 26 GLN QB . . 4.500 3.182 3.095 3.241 . 0 0 "[ . 1 . 2]" 1
359 1 26 GLN H 1 26 GLN HA . . 2.700 2.815 2.806 2.825 0.125 15 0 "[ . 1 . 2]" 1
360 1 26 GLN H 1 26 GLN QB . . 2.700 2.036 1.987 2.056 . 0 0 "[ . 1 . 2]" 1
361 1 26 GLN H 1 27 VAL H . . 3.500 3.076 3.052 3.096 . 0 0 "[ . 1 . 2]" 1
362 1 26 GLN HA 1 26 GLN HG3 . . 2.700 2.481 2.425 2.612 . 0 0 "[ . 1 . 2]" 1
363 1 26 GLN HA 1 27 VAL H . . 3.500 3.636 3.631 3.641 0.141 13 0 "[ . 1 . 2]" 1
364 1 26 GLN HA 1 27 VAL MG1 . . 5.500 4.998 4.977 5.024 . 0 0 "[ . 1 . 2]" 1
365 1 26 GLN HA 1 29 GLU HB2 . . 2.700 2.839 2.807 2.867 0.167 15 0 "[ . 1 . 2]" 1
366 1 26 GLN HA 1 29 GLU HB3 . . 4.500 4.533 4.503 4.553 0.053 15 0 "[ . 1 . 2]" 1
367 1 26 GLN HA 1 50 LYS QE . . 5.500 4.460 4.067 4.526 . 0 0 "[ . 1 . 2]" 1
368 1 26 GLN HA 1 50 LYS QG . . 5.500 5.437 5.022 5.533 0.033 3 0 "[ . 1 . 2]" 1
369 1 26 GLN QB 1 27 VAL H . . 4.500 2.588 2.535 2.674 . 0 0 "[ . 1 . 2]" 1
370 1 26 GLN QB 1 27 VAL MG1 . . 4.500 3.217 3.134 3.326 . 0 0 "[ . 1 . 2]" 1
371 1 26 GLN QB 1 29 GLU HB2 . . 5.500 4.938 4.847 4.980 . 0 0 "[ . 1 . 2]" 1
372 1 26 GLN QB 1 50 LYS QE . . 5.500 1.878 1.796 1.896 . 0 0 "[ . 1 . 2]" 1
373 1 26 GLN QB 1 50 LYS QG . . 5.500 4.117 3.608 4.232 . 0 0 "[ . 1 . 2]" 1
374 1 26 GLN QG 1 27 VAL MG1 . . 5.500 4.953 4.717 5.132 . 0 0 "[ . 1 . 2]" 1
375 1 26 GLN QG 1 50 LYS QE . . 5.500 3.021 2.483 3.244 . 0 0 "[ . 1 . 2]" 1
376 1 26 GLN QG 1 50 LYS QG . . 4.500 4.516 4.320 4.566 0.066 12 0 "[ . 1 . 2]" 1
377 1 27 VAL H 1 27 VAL HA . . 2.700 2.805 2.799 2.834 0.134 12 0 "[ . 1 . 2]" 1
378 1 27 VAL H 1 27 VAL HB . . 3.500 3.643 3.639 3.646 0.146 17 0 "[ . 1 . 2]" 1
379 1 27 VAL H 1 28 THR H . . 2.700 2.699 2.682 2.705 0.005 1 0 "[ . 1 . 2]" 1
380 1 27 VAL HA 1 27 VAL HB . . 2.700 2.228 2.223 2.235 . 0 0 "[ . 1 . 2]" 1
381 1 27 VAL HA 1 27 VAL MG1 . . 2.700 2.611 2.596 2.668 . 0 0 "[ . 1 . 2]" 1
382 1 27 VAL HA 1 27 VAL QG . . 2.700 2.511 2.499 2.551 . 0 0 "[ . 1 . 2]" 1
383 1 27 VAL HA 1 27 VAL MG2 . . 3.500 3.256 3.244 3.266 . 0 0 "[ . 1 . 2]" 1
384 1 27 VAL HA 1 28 THR H . . 4.500 3.534 3.513 3.547 . 0 0 "[ . 1 . 2]" 1
385 1 27 VAL HA 1 30 ALA H . . 5.500 3.250 3.092 3.294 . 0 0 "[ . 1 . 2]" 1
386 1 27 VAL HA 1 30 ALA MB . . 3.500 2.605 2.555 2.648 . 0 0 "[ . 1 . 2]" 1
387 1 27 VAL HA 1 31 LEU H . . 5.500 4.101 4.011 4.137 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL HA 1 50 LYS HA . . 5.500 4.723 4.678 4.924 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL HA 1 50 LYS HB2 . . 5.500 2.381 2.350 2.521 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL HA 1 50 LYS HB3 . . 5.500 2.264 2.217 2.438 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL HA 1 50 LYS HE2 . . 4.500 4.535 4.098 4.582 0.082 6 0 "[ . 1 . 2]" 1
392 1 27 VAL HA 1 50 LYS HE3 . . 4.500 4.633 4.434 4.665 0.165 9 0 "[ . 1 . 2]" 1
393 1 27 VAL HA 1 50 LYS QG . . 3.500 3.463 3.324 3.529 0.029 6 0 "[ . 1 . 2]" 1
394 1 27 VAL HB 1 28 THR H . . 4.500 4.021 4.005 4.041 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL HB 1 31 LEU MD2 . . 5.500 5.685 5.647 5.736 0.236 12 0 "[ . 1 . 2]" 1
396 1 27 VAL HB 1 50 LYS QG . . 5.500 4.842 4.733 4.901 . 0 0 "[ . 1 . 2]" 1
397 1 27 VAL HB 1 54 TYR HB3 . . 5.500 4.515 4.447 4.584 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL MG1 1 50 LYS HA . . 3.500 3.501 3.400 3.524 0.024 5 0 "[ . 1 . 2]" 1
399 1 27 VAL MG1 1 50 LYS HB2 . . 3.500 3.218 3.176 3.269 . 0 0 "[ . 1 . 2]" 1
400 1 27 VAL MG1 1 50 LYS HB3 . . 3.500 2.072 1.938 2.100 . 0 0 "[ . 1 . 2]" 1
401 1 27 VAL MG1 1 50 LYS QD . . 3.500 3.607 3.575 3.882 0.382 12 0 "[ . 1 . 2]" 1
402 1 27 VAL MG1 1 50 LYS HE2 . . 3.500 3.504 3.449 3.541 0.041 16 0 "[ . 1 . 2]" 1
403 1 27 VAL MG1 1 50 LYS HE3 . . 3.500 3.459 2.760 3.524 0.024 2 0 "[ . 1 . 2]" 1
404 1 27 VAL MG1 1 50 LYS QG . . 4.500 4.099 3.778 4.134 . 0 0 "[ . 1 . 2]" 1
405 1 27 VAL MG1 1 51 LEU HA . . 2.700 2.522 2.406 2.691 . 0 0 "[ . 1 . 2]" 1
406 1 27 VAL MG1 1 54 TYR HB2 . . 3.500 2.438 2.328 2.496 . 0 0 "[ . 1 . 2]" 1
407 1 27 VAL MG1 1 54 TYR HB3 . . 3.500 2.143 2.092 2.184 . 0 0 "[ . 1 . 2]" 1
408 1 27 VAL MG2 1 28 THR HB . . 4.500 4.271 4.218 4.319 . 0 0 "[ . 1 . 2]" 1
409 1 27 VAL MG2 1 31 LEU MD1 . . 5.500 4.495 4.402 4.722 . 0 0 "[ . 1 . 2]" 1
410 1 27 VAL MG2 1 31 LEU MD2 . . 5.500 3.851 3.784 4.000 . 0 0 "[ . 1 . 2]" 1
411 1 27 VAL MG2 1 50 LYS HB2 . . 4.500 4.599 4.565 4.635 0.135 12 0 "[ . 1 . 2]" 1
412 1 27 VAL MG2 1 50 LYS HB3 . . 4.500 4.362 4.302 4.384 . 0 0 "[ . 1 . 2]" 1
413 1 27 VAL MG2 1 54 TYR HB2 . . 5.500 4.040 3.726 4.171 . 0 0 "[ . 1 . 2]" 1
414 1 28 THR H 1 28 THR HA . . 2.700 2.820 2.816 2.822 0.122 10 0 "[ . 1 . 2]" 1
415 1 28 THR H 1 28 THR HB . . 2.700 2.652 2.635 2.662 . 0 0 "[ . 1 . 2]" 1
416 1 28 THR H 1 29 GLU H . . 2.700 2.702 2.663 2.712 0.012 11 0 "[ . 1 . 2]" 1
417 1 28 THR H 1 30 ALA H . . 5.500 4.145 4.074 4.182 . 0 0 "[ . 1 . 2]" 1
418 1 28 THR HA 1 28 THR MG . . 2.700 2.207 2.201 2.214 . 0 0 "[ . 1 . 2]" 1
419 1 28 THR HA 1 29 GLU H . . 3.500 3.578 3.573 3.582 0.082 13 0 "[ . 1 . 2]" 1
420 1 28 THR HA 1 29 GLU HA . . 5.500 4.599 4.590 4.607 . 0 0 "[ . 1 . 2]" 1
421 1 28 THR HA 1 31 LEU H . . 4.500 3.167 3.132 3.244 . 0 0 "[ . 1 . 2]" 1
422 1 28 THR HA 1 31 LEU HA . . 5.500 4.848 4.815 4.925 . 0 0 "[ . 1 . 2]" 1
423 1 28 THR HA 1 31 LEU HB2 . . 3.500 2.818 2.737 2.986 . 0 0 "[ . 1 . 2]" 1
424 1 28 THR HA 1 31 LEU QB . . 2.700 2.039 2.030 2.055 . 0 0 "[ . 1 . 2]" 1
425 1 28 THR HA 1 31 LEU HB3 . . 3.500 2.093 2.086 2.102 . 0 0 "[ . 1 . 2]" 1
426 1 28 THR HA 1 31 LEU MD1 . . 4.500 4.296 4.263 4.367 . 0 0 "[ . 1 . 2]" 1
427 1 28 THR HA 1 31 LEU MD2 . . 3.500 2.708 2.698 2.722 . 0 0 "[ . 1 . 2]" 1
428 1 28 THR HA 1 31 LEU HG . . 4.500 4.518 4.512 4.526 0.026 4 0 "[ . 1 . 2]" 1
429 1 28 THR HA 1 32 ASP H . . 5.500 3.940 3.908 3.971 . 0 0 "[ . 1 . 2]" 1
430 1 28 THR HB 1 29 GLU H . . 3.500 2.804 2.776 2.824 . 0 0 "[ . 1 . 2]" 1
431 1 28 THR HB 1 29 GLU HA . . 4.500 4.172 4.157 4.197 . 0 0 "[ . 1 . 2]" 1
432 1 28 THR HB 1 29 GLU HB2 . . 5.500 4.849 4.821 4.868 . 0 0 "[ . 1 . 2]" 1
433 1 28 THR HB 1 29 GLU HB3 . . 5.500 5.718 5.705 5.731 0.231 3 0 "[ . 1 . 2]" 1
434 1 28 THR HB 1 29 GLU HG2 . . 4.500 4.566 4.556 4.591 0.091 18 0 "[ . 1 . 2]" 1
435 1 28 THR HB 1 29 GLU HG3 . . 3.500 3.408 3.383 3.438 . 0 0 "[ . 1 . 2]" 1
436 1 28 THR HB 1 31 LEU MD2 . . 4.500 4.699 4.673 4.711 0.211 20 0 "[ . 1 . 2]" 1
437 1 28 THR MG 1 29 GLU HA . . 3.500 3.628 3.619 3.642 0.142 18 0 "[ . 1 . 2]" 1
438 1 28 THR MG 1 29 GLU HB2 . . 5.500 5.316 5.306 5.322 . 0 0 "[ . 1 . 2]" 1
439 1 28 THR MG 1 29 GLU HB3 . . 5.500 5.569 5.556 5.586 0.086 18 0 "[ . 1 . 2]" 1
440 1 28 THR MG 1 30 ALA MB . . 5.500 5.656 5.650 5.667 0.167 7 0 "[ . 1 . 2]" 1
441 1 28 THR MG 1 31 LEU HA . . 5.500 5.412 5.382 5.459 . 0 0 "[ . 1 . 2]" 1
442 1 28 THR MG 1 31 LEU HB2 . . 4.500 4.086 4.020 4.210 . 0 0 "[ . 1 . 2]" 1
443 1 28 THR MG 1 31 LEU HB3 . . 4.500 2.846 2.800 2.926 . 0 0 "[ . 1 . 2]" 1
444 1 28 THR MG 1 31 LEU MD1 . . 4.500 4.595 4.589 4.602 0.102 12 0 "[ . 1 . 2]" 1
445 1 28 THR MG 1 31 LEU MD2 . . 3.500 2.254 2.216 2.270 . 0 0 "[ . 1 . 2]" 1
446 1 28 THR MG 1 31 LEU HG . . 4.500 4.242 4.204 4.271 . 0 0 "[ . 1 . 2]" 1
447 1 28 THR MG 1 32 ASP HA . . 5.500 4.522 4.464 4.570 . 0 0 "[ . 1 . 2]" 1
448 1 28 THR MG 1 32 ASP HB2 . . 5.500 3.611 3.536 3.669 . 0 0 "[ . 1 . 2]" 1
449 1 28 THR MG 1 32 ASP HB3 . . 5.500 4.655 4.589 4.699 . 0 0 "[ . 1 . 2]" 1
450 1 29 GLU H 1 29 GLU HA . . 2.700 2.834 2.828 2.837 0.137 11 0 "[ . 1 . 2]" 1
451 1 29 GLU H 1 29 GLU QB . . 2.700 2.344 2.329 2.356 . 0 0 "[ . 1 . 2]" 1
452 1 29 GLU H 1 29 GLU HB3 . . 3.500 3.564 3.560 3.570 0.070 1 0 "[ . 1 . 2]" 1
453 1 29 GLU H 1 30 ALA H . . 2.700 2.631 2.613 2.661 . 0 0 "[ . 1 . 2]" 1
454 1 29 GLU H 1 31 LEU H . . 5.500 3.953 3.928 4.011 . 0 0 "[ . 1 . 2]" 1
455 1 29 GLU HA 1 29 GLU HB3 . . 2.700 2.471 2.462 2.482 . 0 0 "[ . 1 . 2]" 1
456 1 29 GLU HA 1 29 GLU HG3 . . 2.700 2.828 2.815 2.840 0.140 10 0 "[ . 1 . 2]" 1
457 1 29 GLU HA 1 32 ASP H . . 4.500 2.561 2.518 2.616 . 0 0 "[ . 1 . 2]" 1
458 1 29 GLU HA 1 32 ASP QB . . 2.700 2.037 2.027 2.045 . 0 0 "[ . 1 . 2]" 1
459 1 29 GLU QB 1 30 ALA H . . 4.500 2.966 2.937 3.004 . 0 0 "[ . 1 . 2]" 1
460 1 29 GLU HB2 1 32 ASP HB2 . . 5.500 5.502 5.423 5.536 0.036 20 0 "[ . 1 . 2]" 1
461 1 29 GLU HB2 1 32 ASP HB3 . . 4.500 4.698 4.682 4.729 0.229 20 0 "[ . 1 . 2]" 1
462 1 29 GLU HB2 1 33 LYS QD . . 5.500 5.610 5.589 5.628 0.128 15 0 "[ . 1 . 2]" 1
463 1 29 GLU HB2 1 33 LYS QE . . 4.500 4.523 4.512 4.532 0.032 17 0 "[ . 1 . 2]" 1
464 1 29 GLU HB3 1 32 ASP HB2 . . 5.500 4.603 4.518 4.674 . 0 0 "[ . 1 . 2]" 1
465 1 29 GLU HB3 1 32 ASP HB3 . . 4.500 3.508 3.458 3.572 . 0 0 "[ . 1 . 2]" 1
466 1 29 GLU HB3 1 33 LYS QE . . 4.500 3.369 3.341 3.394 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLU HG2 1 33 LYS HD3 . . 5.500 5.599 5.582 5.620 0.120 13 0 "[ . 1 . 2]" 1
468 1 30 ALA H 1 30 ALA HA . . 2.700 2.871 2.861 2.881 0.181 7 0 "[ . 1 . 2]" 1
469 1 30 ALA H 1 30 ALA MB . . 2.700 2.227 2.205 2.239 . 0 0 "[ . 1 . 2]" 1
470 1 30 ALA H 1 31 LEU H . . 3.500 2.575 2.542 2.594 . 0 0 "[ . 1 . 2]" 1
471 1 30 ALA H 1 32 ASP H . . 5.500 3.889 3.846 3.920 . 0 0 "[ . 1 . 2]" 1
472 1 30 ALA HA 1 31 LEU H . . 3.500 3.527 3.524 3.532 0.032 19 0 "[ . 1 . 2]" 1
473 1 30 ALA HA 1 33 LYS H . . 4.500 3.509 3.498 3.524 . 0 0 "[ . 1 . 2]" 1
474 1 30 ALA HA 1 33 LYS HA . . 5.500 5.674 5.661 5.697 0.197 20 0 "[ . 1 . 2]" 1
475 1 30 ALA HA 1 33 LYS QB . . 3.500 3.568 3.547 3.600 0.100 20 0 "[ . 1 . 2]" 1
476 1 30 ALA HA 1 33 LYS QE . . 4.500 3.306 3.279 3.326 . 0 0 "[ . 1 . 2]" 1
477 1 30 ALA HA 1 33 LYS HG2 . . 4.500 2.193 2.181 2.226 . 0 0 "[ . 1 . 2]" 1
478 1 30 ALA HA 1 33 LYS HG3 . . 3.500 3.535 3.525 3.561 0.061 20 0 "[ . 1 . 2]" 1
479 1 30 ALA HA 1 34 LEU H . . 4.500 4.431 4.389 4.465 . 0 0 "[ . 1 . 2]" 1
480 1 30 ALA HA 1 34 LEU MD1 . . 5.500 5.494 5.084 5.543 0.043 10 0 "[ . 1 . 2]" 1
481 1 30 ALA HA 1 50 LYS HB2 . . 5.500 5.668 5.606 5.702 0.202 15 0 "[ . 1 . 2]" 1
482 1 30 ALA MB 1 31 LEU H . . 2.700 2.445 2.366 2.480 . 0 0 "[ . 1 . 2]" 1
483 1 30 ALA MB 1 31 LEU HA . . 5.500 3.992 3.948 4.004 . 0 0 "[ . 1 . 2]" 1
484 1 30 ALA MB 1 33 LYS QB . . 4.500 4.343 4.319 4.421 . 0 0 "[ . 1 . 2]" 1
485 1 30 ALA MB 1 33 LYS QE . . 4.500 4.536 4.527 4.546 0.046 15 0 "[ . 1 . 2]" 1
486 1 30 ALA MB 1 34 LEU MD1 . . 4.500 3.973 3.648 4.031 . 0 0 "[ . 1 . 2]" 1
487 1 30 ALA MB 1 47 TYR HA . . 2.700 1.904 1.875 1.976 . 0 0 "[ . 1 . 2]" 1
488 1 30 ALA MB 1 47 TYR HB2 . . 3.500 2.488 2.378 2.525 . 0 0 "[ . 1 . 2]" 1
489 1 30 ALA MB 1 47 TYR HB3 . . 3.500 3.636 3.602 3.655 0.155 12 0 "[ . 1 . 2]" 1
490 1 30 ALA MB 1 50 LYS HB2 . . 3.500 2.781 2.742 2.815 . 0 0 "[ . 1 . 2]" 1
491 1 30 ALA MB 1 50 LYS HB3 . . 4.500 3.687 3.636 3.741 . 0 0 "[ . 1 . 2]" 1
492 1 30 ALA MB 1 50 LYS HE3 . . 5.500 5.272 5.188 5.452 . 0 0 "[ . 1 . 2]" 1
493 1 30 ALA MB 1 50 LYS QG . . 3.500 2.509 2.351 2.872 . 0 0 "[ . 1 . 2]" 1
494 1 30 ALA MB 1 51 LEU HB3 . . 5.500 5.654 5.603 5.746 0.246 20 0 "[ . 1 . 2]" 1
495 1 30 ALA MB 1 51 LEU MD1 . . 5.500 5.612 5.580 5.626 0.126 15 0 "[ . 1 . 2]" 1
496 1 31 LEU H 1 31 LEU HA . . 2.700 2.818 2.811 2.822 0.122 8 0 "[ . 1 . 2]" 1
497 1 31 LEU H 1 31 LEU QB . . 2.700 2.136 2.132 2.139 . 0 0 "[ . 1 . 2]" 1
498 1 31 LEU H 1 32 ASP H . . 3.500 2.826 2.814 2.853 . 0 0 "[ . 1 . 2]" 1
499 1 31 LEU H 1 33 LYS H . . 5.500 4.162 4.121 4.237 . 0 0 "[ . 1 . 2]" 1
500 1 31 LEU HA 1 31 LEU HB2 . . 2.700 2.525 2.491 2.539 . 0 0 "[ . 1 . 2]" 1
501 1 31 LEU HA 1 31 LEU MD1 . . 2.700 2.188 2.143 2.213 . 0 0 "[ . 1 . 2]" 1
502 1 31 LEU HA 1 32 ASP H . . 4.500 3.633 3.622 3.644 . 0 0 "[ . 1 . 2]" 1
503 1 31 LEU HA 1 34 LEU H . . 4.500 2.551 2.525 2.617 . 0 0 "[ . 1 . 2]" 1
504 1 31 LEU HA 1 34 LEU HA . . 5.500 4.430 4.397 4.476 . 0 0 "[ . 1 . 2]" 1
505 1 31 LEU HA 1 34 LEU HB2 . . 2.700 2.297 2.222 2.345 . 0 0 "[ . 1 . 2]" 1
506 1 31 LEU HA 1 34 LEU HB3 . . 2.700 2.415 2.293 2.454 . 0 0 "[ . 1 . 2]" 1
507 1 31 LEU QB 1 32 ASP H . . 3.500 2.725 2.692 2.767 . 0 0 "[ . 1 . 2]" 1
508 1 31 LEU HB2 1 31 LEU MD1 . . 3.500 2.280 2.265 2.288 . 0 0 "[ . 1 . 2]" 1
509 1 31 LEU HB2 1 31 LEU MD2 . . 2.700 2.486 2.469 2.516 . 0 0 "[ . 1 . 2]" 1
510 1 31 LEU HB2 1 47 TYR QD . . 5.500 2.798 2.690 3.115 . 0 0 "[ . 1 . 2]" 1
511 1 31 LEU HB3 1 31 LEU MD1 . . 3.500 3.161 3.152 3.167 . 0 0 "[ . 1 . 2]" 1
512 1 31 LEU MD1 1 32 ASP HA . . 5.500 5.415 5.344 5.433 . 0 0 "[ . 1 . 2]" 1
513 1 31 LEU MD1 1 34 LEU HB2 . . 4.500 3.250 3.213 3.344 . 0 0 "[ . 1 . 2]" 1
514 1 31 LEU MD1 1 34 LEU MD1 . . 3.500 2.860 2.806 2.889 . 0 0 "[ . 1 . 2]" 1
515 1 31 LEU MD1 1 35 ALA HA . . 5.500 4.636 4.579 4.669 . 0 0 "[ . 1 . 2]" 1
516 1 31 LEU MD1 1 35 ALA MB . . 3.500 3.576 3.567 3.584 0.084 12 0 "[ . 1 . 2]" 1
517 1 31 LEU MD1 1 44 LEU HA . . 5.500 5.656 5.605 5.686 0.186 20 0 "[ . 1 . 2]" 1
518 1 31 LEU MD1 1 47 TYR HA . . 5.500 5.553 5.540 5.584 0.084 12 0 "[ . 1 . 2]" 1
519 1 31 LEU MD1 1 51 LEU MD1 . . 5.500 5.184 5.079 5.287 . 0 0 "[ . 1 . 2]" 1
520 1 31 LEU MD2 1 32 ASP HA . . 4.500 4.518 4.480 4.529 0.029 20 0 "[ . 1 . 2]" 1
521 1 31 LEU MD2 1 35 ALA HA . . 5.500 5.623 5.586 5.656 0.156 12 0 "[ . 1 . 2]" 1
522 1 31 LEU MD2 1 35 ALA MB . . 3.500 3.634 3.622 3.660 0.160 12 0 "[ . 1 . 2]" 1
523 1 32 ASP H 1 32 ASP HA . . 2.700 2.789 2.786 2.792 0.092 20 0 "[ . 1 . 2]" 1
524 1 32 ASP H 1 32 ASP QB . . 2.700 2.237 2.213 2.261 . 0 0 "[ . 1 . 2]" 1
525 1 32 ASP H 1 33 LYS H . . 3.500 2.772 2.754 2.799 . 0 0 "[ . 1 . 2]" 1
526 1 32 ASP H 1 34 LEU H . . 4.500 4.105 4.035 4.137 . 0 0 "[ . 1 . 2]" 1
527 1 32 ASP HA 1 32 ASP HB2 . . 2.700 2.386 2.374 2.412 . 0 0 "[ . 1 . 2]" 1
528 1 32 ASP HA 1 33 LYS H . . 4.500 3.545 3.532 3.557 . 0 0 "[ . 1 . 2]" 1
529 1 32 ASP HA 1 35 ALA MB . . 2.700 2.719 2.599 2.780 0.080 20 0 "[ . 1 . 2]" 1
530 1 32 ASP QB 1 33 LYS H . . 3.500 2.911 2.865 2.933 . 0 0 "[ . 1 . 2]" 1
531 1 32 ASP HB2 1 35 ALA MB . . 5.500 4.774 4.649 4.854 . 0 0 "[ . 1 . 2]" 1
532 1 32 ASP HB3 1 35 ALA MB . . 5.500 5.322 5.206 5.381 . 0 0 "[ . 1 . 2]" 1
533 1 33 LYS H 1 33 LYS HA . . 2.700 2.849 2.842 2.855 0.155 20 0 "[ . 1 . 2]" 1
534 1 33 LYS H 1 33 LYS QB . . 2.700 2.731 2.724 2.738 0.038 20 0 "[ . 1 . 2]" 1
535 1 33 LYS H 1 33 LYS HB3 . . 3.500 3.569 3.566 3.578 0.078 20 0 "[ . 1 . 2]" 1
536 1 33 LYS H 1 34 LEU H . . 3.500 2.584 2.538 2.622 . 0 0 "[ . 1 . 2]" 1
537 1 33 LYS H 1 35 ALA H . . 5.500 4.016 3.964 4.281 . 0 0 "[ . 1 . 2]" 1
538 1 33 LYS HA 1 33 LYS HB3 . . 2.700 2.166 2.137 2.176 . 0 0 "[ . 1 . 2]" 1
539 1 33 LYS HA 1 33 LYS QD . . 3.500 2.611 2.601 2.632 . 0 0 "[ . 1 . 2]" 1
540 1 33 LYS HA 1 33 LYS QE . . 4.500 4.563 4.552 4.572 0.072 19 0 "[ . 1 . 2]" 1
541 1 33 LYS HA 1 36 ALA MB . . 3.500 2.335 2.289 2.619 . 0 0 "[ . 1 . 2]" 1
542 1 33 LYS HA 1 43 LEU HB3 . . 5.500 5.517 5.501 5.559 0.059 20 0 "[ . 1 . 2]" 1
543 1 33 LYS HA 1 43 LEU MD1 . . 3.500 3.656 3.622 3.673 0.173 13 0 "[ . 1 . 2]" 1
544 1 33 LYS HA 1 43 LEU MD2 . . 3.500 3.347 3.316 3.428 . 0 0 "[ . 1 . 2]" 1
545 1 33 LYS QB 1 33 LYS QE . . 4.500 3.618 3.607 3.632 . 0 0 "[ . 1 . 2]" 1
546 1 33 LYS QB 1 34 LEU H . . 2.700 2.594 2.568 2.629 . 0 0 "[ . 1 . 2]" 1
547 1 33 LYS QB 1 43 LEU HB3 . . 5.500 3.182 3.160 3.256 . 0 0 "[ . 1 . 2]" 1
548 1 33 LYS QB 1 43 LEU MD1 . . 3.500 2.012 1.998 2.035 . 0 0 "[ . 1 . 2]" 1
549 1 33 LYS QB 1 43 LEU MD2 . . 3.500 2.099 2.078 2.161 . 0 0 "[ . 1 . 2]" 1
550 1 33 LYS HB2 1 36 ALA MB . . 4.500 4.539 4.529 4.576 0.076 20 0 "[ . 1 . 2]" 1
551 1 33 LYS HB3 1 36 ALA MB . . 3.500 3.647 3.633 3.717 0.217 20 0 "[ . 1 . 2]" 1
552 1 33 LYS QD 1 43 LEU MD1 . . 4.500 4.650 4.627 4.670 0.170 13 0 "[ . 1 . 2]" 1
553 1 33 LYS QD 1 43 LEU MD2 . . 4.500 4.364 4.312 4.453 . 0 0 "[ . 1 . 2]" 1
554 1 33 LYS QE 1 43 LEU MD1 . . 5.500 5.455 5.381 5.490 . 0 0 "[ . 1 . 2]" 1
555 1 33 LYS QE 1 43 LEU MD2 . . 5.500 5.385 5.330 5.445 . 0 0 "[ . 1 . 2]" 1
556 1 33 LYS HG2 1 43 LEU MD1 . . 4.500 4.021 3.944 4.059 . 0 0 "[ . 1 . 2]" 1
557 1 33 LYS HG2 1 43 LEU MD2 . . 4.500 4.612 4.595 4.666 0.166 19 0 "[ . 1 . 2]" 1
558 1 33 LYS HG3 1 43 LEU MD1 . . 4.500 4.089 4.019 4.123 . 0 0 "[ . 1 . 2]" 1
559 1 33 LYS HG3 1 43 LEU MD2 . . 4.500 3.999 3.938 4.060 . 0 0 "[ . 1 . 2]" 1
560 1 34 LEU H 1 34 LEU HA . . 2.700 2.803 2.799 2.809 0.109 12 0 "[ . 1 . 2]" 1
561 1 34 LEU H 1 34 LEU QB . . 2.700 2.020 1.972 2.033 . 0 0 "[ . 1 . 2]" 1
562 1 34 LEU HA 1 34 LEU MD1 . . 3.500 3.583 3.494 3.601 0.101 16 0 "[ . 1 . 2]" 1
563 1 34 LEU HA 1 34 LEU MD2 . . 3.500 2.802 2.746 3.230 . 0 0 "[ . 1 . 2]" 1
564 1 34 LEU HA 1 37 LYS QB . . 4.500 4.586 4.541 4.651 0.151 13 0 "[ . 1 . 2]" 1
565 1 34 LEU HA 1 38 PRO HA . . 4.500 2.261 2.231 2.433 . 0 0 "[ . 1 . 2]" 1
566 1 34 LEU HA 1 43 LEU HB2 . . 4.500 4.691 4.663 4.730 0.230 19 0 "[ . 1 . 2]" 1
567 1 34 LEU HA 1 43 LEU MD2 . . 3.500 3.051 2.937 3.073 . 0 0 "[ . 1 . 2]" 1
568 1 34 LEU HA 1 43 LEU HG . . 4.500 4.317 4.268 4.344 . 0 0 "[ . 1 . 2]" 1
569 1 34 LEU HA 1 44 LEU HA . . 4.500 4.655 4.504 4.701 0.201 18 0 "[ . 1 . 2]" 1
570 1 34 LEU HB2 1 43 LEU MD2 . . 4.500 4.651 4.641 4.679 0.179 20 0 "[ . 1 . 2]" 1
571 1 34 LEU HB3 1 43 LEU MD2 . . 5.500 5.506 5.493 5.534 0.034 19 0 "[ . 1 . 2]" 1
572 1 34 LEU MD1 1 38 PRO HA . . 4.500 4.268 3.936 4.318 . 0 0 "[ . 1 . 2]" 1
573 1 34 LEU MD1 1 38 PRO HB2 . . 5.500 5.531 5.120 5.579 0.079 3 0 "[ . 1 . 2]" 1
574 1 34 LEU MD1 1 38 PRO HB3 . . 4.500 4.639 4.572 4.668 0.168 18 0 "[ . 1 . 2]" 1
575 1 34 LEU MD1 1 41 PRO HA . . 5.500 5.600 5.088 5.677 0.177 18 0 "[ . 1 . 2]" 1
576 1 34 LEU MD1 1 43 LEU HA . . 5.500 5.532 5.456 5.569 0.069 19 0 "[ . 1 . 2]" 1
577 1 34 LEU MD1 1 43 LEU HB2 . . 5.500 5.074 4.944 5.128 . 0 0 "[ . 1 . 2]" 1
578 1 34 LEU MD1 1 43 LEU MD2 . . 5.500 4.900 4.747 4.930 . 0 0 "[ . 1 . 2]" 1
579 1 34 LEU MD1 1 44 LEU HA . . 3.500 1.886 1.801 1.900 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU MD1 1 44 LEU HB2 . . 3.500 2.156 2.144 2.166 . 0 0 "[ . 1 . 2]" 1
581 1 34 LEU MD1 1 44 LEU HB3 . . 3.500 3.545 3.474 3.556 0.056 12 0 "[ . 1 . 2]" 1
582 1 34 LEU MD1 1 44 LEU MD1 . . 4.500 3.711 2.623 3.840 . 0 0 "[ . 1 . 2]" 1
583 1 34 LEU MD1 1 44 LEU MD2 . . 2.700 2.175 2.030 3.430 0.730 20 2 "[ . 1 . -+]" 1
584 1 34 LEU MD1 1 47 TYR HA . . 4.500 4.224 4.086 4.302 . 0 0 "[ . 1 . 2]" 1
585 1 34 LEU MD1 1 47 TYR HB2 . . 3.500 2.055 1.916 2.085 . 0 0 "[ . 1 . 2]" 1
586 1 34 LEU MD1 1 47 TYR HB3 . . 3.500 2.169 2.124 2.188 . 0 0 "[ . 1 . 2]" 1
587 1 34 LEU MD2 1 35 ALA HA . . 4.500 4.536 4.435 4.553 0.053 11 0 "[ . 1 . 2]" 1
588 1 34 LEU MD2 1 38 PRO HA . . 2.700 2.100 2.071 2.353 . 0 0 "[ . 1 . 2]" 1
589 1 34 LEU MD2 1 38 PRO HB2 . . 3.500 3.085 2.693 3.122 . 0 0 "[ . 1 . 2]" 1
590 1 34 LEU MD2 1 38 PRO HB3 . . 3.500 1.965 1.931 1.978 . 0 0 "[ . 1 . 2]" 1
591 1 34 LEU MD2 1 39 SER HA . . 4.500 3.065 2.924 4.226 . 0 0 "[ . 1 . 2]" 1
592 1 34 LEU MD2 1 44 LEU HA . . 3.500 3.573 3.554 3.630 0.130 20 0 "[ . 1 . 2]" 1
593 1 34 LEU MD2 1 44 LEU HB2 . . 2.700 2.289 2.269 2.419 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU MD2 1 44 LEU HB3 . . 3.500 3.661 3.646 3.771 0.271 20 0 "[ . 1 . 2]" 1
595 1 34 LEU MD2 1 44 LEU HG . . 3.500 3.569 3.346 3.600 0.100 18 0 "[ . 1 . 2]" 1
596 1 34 LEU MD2 1 47 TYR HB2 . . 5.500 4.733 4.420 4.779 . 0 0 "[ . 1 . 2]" 1
597 1 34 LEU MD2 1 47 TYR HB3 . . 5.500 4.587 4.177 4.646 . 0 0 "[ . 1 . 2]" 1
598 1 34 LEU HG 1 38 PRO HA . . 3.500 3.022 2.365 3.112 . 0 0 "[ . 1 . 2]" 1
599 1 34 LEU HG 1 38 PRO HB2 . . 5.500 5.251 4.587 5.328 . 0 0 "[ . 1 . 2]" 1
600 1 34 LEU HG 1 38 PRO HB3 . . 5.500 4.298 3.844 4.348 . 0 0 "[ . 1 . 2]" 1
601 1 34 LEU HG 1 44 LEU MD1 . . 5.500 4.975 3.806 5.117 . 0 0 "[ . 1 . 2]" 1
602 1 34 LEU HG 1 44 LEU MD2 . . 4.500 3.806 3.696 4.632 0.132 20 0 "[ . 1 . 2]" 1
603 1 35 ALA HA 1 36 ALA MB . . 5.500 5.064 5.044 5.071 . 0 0 "[ . 1 . 2]" 1
604 1 35 ALA HA 1 38 PRO QB . . 5.500 4.234 3.906 4.342 . 0 0 "[ . 1 . 2]" 1
605 1 35 ALA HA 1 38 PRO QG . . 5.500 3.496 3.375 3.869 . 0 0 "[ . 1 . 2]" 1
606 1 35 ALA MB 1 36 ALA HA . . 4.500 4.272 4.252 4.348 . 0 0 "[ . 1 . 2]" 1
607 1 35 ALA MB 1 38 PRO HB3 . . 5.500 5.531 5.205 5.589 0.089 19 0 "[ . 1 . 2]" 1
608 1 36 ALA HA 1 37 LYS H . . 4.500 3.568 3.558 3.592 . 0 0 "[ . 1 . 2]" 1
609 1 36 ALA HA 1 37 LYS HA . . 5.500 4.756 4.693 4.779 . 0 0 "[ . 1 . 2]" 1
610 1 36 ALA HA 1 37 LYS HB2 . . 5.500 4.931 4.864 5.060 . 0 0 "[ . 1 . 2]" 1
611 1 36 ALA HA 1 38 PRO HD2 . . 5.500 4.878 4.775 5.528 0.028 20 0 "[ . 1 . 2]" 1
612 1 36 ALA HA 1 38 PRO HD3 . . 4.500 4.076 4.048 4.220 . 0 0 "[ . 1 . 2]" 1
613 1 36 ALA HA 1 38 PRO QG . . 5.500 5.521 5.497 5.589 0.089 20 0 "[ . 1 . 2]" 1
614 1 36 ALA HA 1 43 LEU MD2 . . 5.500 5.589 5.413 5.619 0.119 4 0 "[ . 1 . 2]" 1
615 1 36 ALA MB 1 37 LYS H . . 3.500 2.412 2.269 2.447 . 0 0 "[ . 1 . 2]" 1
616 1 36 ALA MB 1 38 PRO HA . . 5.500 5.455 5.418 5.604 0.104 20 0 "[ . 1 . 2]" 1
617 1 36 ALA MB 1 38 PRO HD2 . . 5.500 5.085 5.008 5.531 0.031 20 0 "[ . 1 . 2]" 1
618 1 36 ALA MB 1 38 PRO HD3 . . 5.500 4.296 4.259 4.498 . 0 0 "[ . 1 . 2]" 1
619 1 37 LYS H 1 37 LYS QB . . 3.500 2.529 2.491 2.667 . 0 0 "[ . 1 . 2]" 1
620 1 37 LYS HA 1 37 LYS QG . . 3.500 2.501 2.449 2.678 . 0 0 "[ . 1 . 2]" 1
621 1 37 LYS HA 1 40 ASP H . . 5.500 5.043 4.920 5.132 . 0 0 "[ . 1 . 2]" 1
622 1 37 LYS HA 1 43 LEU MD2 . . 4.500 4.086 3.948 4.125 . 0 0 "[ . 1 . 2]" 1
623 1 37 LYS HB2 1 37 LYS HE2 . . 4.500 4.107 2.204 4.656 0.156 1 0 "[ . 1 . 2]" 1
624 1 37 LYS HB2 1 37 LYS HE3 . . 4.500 3.909 2.223 4.633 0.133 14 0 "[ . 1 . 2]" 1
625 1 37 LYS HB2 1 40 ASP HB2 . . 4.500 4.542 4.041 4.599 0.099 12 0 "[ . 1 . 2]" 1
626 1 37 LYS HB2 1 40 ASP HB3 . . 4.500 4.610 4.302 4.644 0.144 17 0 "[ . 1 . 2]" 1
627 1 37 LYS HB2 1 43 LEU MD2 . . 3.500 3.119 3.067 3.182 . 0 0 "[ . 1 . 2]" 1
628 1 37 LYS HB3 1 37 LYS HE2 . . 4.500 4.201 2.994 4.636 0.136 14 0 "[ . 1 . 2]" 1
629 1 37 LYS HB3 1 37 LYS HE3 . . 4.500 4.152 2.974 4.599 0.099 11 0 "[ . 1 . 2]" 1
630 1 37 LYS HB3 1 38 PRO HD3 . . 4.500 4.710 4.688 4.761 0.261 18 0 "[ . 1 . 2]" 1
631 1 37 LYS HB3 1 40 ASP HA . . 5.500 5.522 5.030 5.596 0.096 6 0 "[ . 1 . 2]" 1
632 1 37 LYS HB3 1 40 ASP HB2 . . 3.500 3.257 2.742 3.326 . 0 0 "[ . 1 . 2]" 1
633 1 37 LYS HB3 1 40 ASP HB3 . . 5.500 2.954 2.595 3.003 . 0 0 "[ . 1 . 2]" 1
634 1 37 LYS HB3 1 43 LEU MD1 . . 3.500 3.640 3.619 3.668 0.168 13 0 "[ . 1 . 2]" 1
635 1 37 LYS HB3 1 43 LEU MD2 . . 2.700 1.906 1.890 1.959 . 0 0 "[ . 1 . 2]" 1
636 1 37 LYS QD 1 40 ASP HA . . 4.500 4.223 3.352 4.547 0.047 1 0 "[ . 1 . 2]" 1
637 1 37 LYS QD 1 40 ASP HB2 . . 4.500 2.291 2.063 2.417 . 0 0 "[ . 1 . 2]" 1
638 1 37 LYS QD 1 40 ASP HB3 . . 4.500 2.801 2.712 2.950 . 0 0 "[ . 1 . 2]" 1
639 1 37 LYS QD 1 43 LEU MD1 . . 4.500 4.571 4.407 4.601 0.101 19 0 "[ . 1 . 2]" 1
640 1 37 LYS QD 1 43 LEU MD2 . . 3.500 2.665 2.382 3.602 0.102 13 0 "[ . 1 . 2]" 1
641 1 37 LYS HE2 1 43 LEU MD2 . . 5.500 4.731 3.517 5.580 0.080 20 0 "[ . 1 . 2]" 1
642 1 37 LYS QG 1 38 PRO HD2 . . 4.500 4.358 4.139 4.494 . 0 0 "[ . 1 . 2]" 1
643 1 37 LYS QG 1 38 PRO HD3 . . 5.500 5.120 4.801 5.305 . 0 0 "[ . 1 . 2]" 1
644 1 37 LYS QG 1 38 PRO QG . . 5.500 5.509 5.394 5.664 0.164 18 0 "[ . 1 . 2]" 1
645 1 37 LYS QG 1 40 ASP HA . . 4.500 4.513 4.414 4.635 0.135 18 0 "[ . 1 . 2]" 1
646 1 37 LYS QG 1 40 ASP HB2 . . 3.500 2.417 2.327 2.514 . 0 0 "[ . 1 . 2]" 1
647 1 37 LYS QG 1 40 ASP HB3 . . 3.500 3.418 3.355 3.534 0.034 20 0 "[ . 1 . 2]" 1
648 1 37 LYS QG 1 43 LEU MD2 . . 3.500 3.458 3.297 3.507 0.007 20 0 "[ . 1 . 2]" 1
649 1 38 PRO HA 1 39 SER H . . 3.500 3.589 3.567 3.614 0.114 14 0 "[ . 1 . 2]" 1
650 1 38 PRO HA 1 43 LEU MD1 . . 3.500 2.821 2.700 2.850 . 0 0 "[ . 1 . 2]" 1
651 1 38 PRO HA 1 43 LEU MD2 . . 3.500 3.656 3.635 3.763 0.263 20 0 "[ . 1 . 2]" 1
652 1 38 PRO HA 1 44 LEU MD2 . . 5.500 5.519 5.362 6.007 0.507 19 1 "[ . 1 . +2]" 1
653 1 38 PRO QB 1 39 SER H . . 4.500 2.295 2.116 3.376 . 0 0 "[ . 1 . 2]" 1
654 1 38 PRO HB2 1 43 LEU MD1 . . 5.500 5.253 5.222 5.291 . 0 0 "[ . 1 . 2]" 1
655 1 38 PRO HB3 1 43 LEU MD1 . . 4.500 4.636 4.601 4.645 0.145 3 0 "[ . 1 . 2]" 1
656 1 38 PRO HB3 1 43 LEU MD2 . . 5.500 5.586 5.539 5.632 0.132 13 0 "[ . 1 . 2]" 1
657 1 38 PRO HD3 1 43 LEU MD2 . . 5.500 4.525 4.498 4.652 . 0 0 "[ . 1 . 2]" 1
658 1 38 PRO QG 1 43 LEU MD2 . . 5.500 5.519 5.484 5.624 0.124 20 0 "[ . 1 . 2]" 1
659 1 39 SER H 1 39 SER HA . . 2.700 2.850 2.837 2.890 0.190 20 0 "[ . 1 . 2]" 1
660 1 39 SER H 1 39 SER HB2 . . 3.500 3.619 3.586 3.682 0.182 20 0 "[ . 1 . 2]" 1
661 1 39 SER H 1 39 SER QB . . 2.700 2.637 2.608 2.836 0.136 20 0 "[ . 1 . 2]" 1
662 1 39 SER H 1 39 SER HB3 . . 2.700 2.710 2.674 2.949 0.249 20 0 "[ . 1 . 2]" 1
663 1 39 SER H 1 40 ASP H . . 2.700 2.869 2.856 3.006 0.306 19 0 "[ . 1 . 2]" 1
664 1 39 SER HA 1 39 SER QB . . 2.700 2.091 2.016 2.103 . 0 0 "[ . 1 . 2]" 1
665 1 39 SER HA 1 40 ASP H . . 3.500 3.092 2.437 3.155 . 0 0 "[ . 1 . 2]" 1
666 1 39 SER HA 1 44 LEU MD1 . . 4.500 4.003 2.442 4.192 . 0 0 "[ . 1 . 2]" 1
667 1 39 SER HA 1 44 LEU MD2 . . 3.500 3.553 3.529 3.663 0.163 20 0 "[ . 1 . 2]" 1
668 1 39 SER QB 1 40 ASP H . . 4.500 4.016 3.822 4.050 . 0 0 "[ . 1 . 2]" 1
669 1 39 SER HB2 1 44 LEU MD1 . . 5.500 4.532 3.331 4.670 . 0 0 "[ . 1 . 2]" 1
670 1 39 SER HB2 1 44 LEU MD2 . . 4.500 4.610 4.560 4.636 0.136 13 0 "[ . 1 . 2]" 1
671 1 39 SER HB3 1 44 LEU MD1 . . 5.500 5.202 2.983 5.456 . 0 0 "[ . 1 . 2]" 1
672 1 39 SER HB3 1 44 LEU MD2 . . 4.500 4.589 4.565 4.769 0.269 20 0 "[ . 1 . 2]" 1
673 1 40 ASP H 1 40 ASP HA . . 2.700 2.841 2.818 2.959 0.259 20 0 "[ . 1 . 2]" 1
674 1 40 ASP H 1 40 ASP QB . . 2.700 2.281 2.262 2.359 . 0 0 "[ . 1 . 2]" 1
675 1 40 ASP HA 1 40 ASP HB2 . . 2.700 2.414 2.359 2.503 . 0 0 "[ . 1 . 2]" 1
676 1 40 ASP HA 1 41 PRO HA . . 5.500 4.413 4.384 4.532 . 0 0 "[ . 1 . 2]" 1
677 1 40 ASP HA 1 41 PRO HB2 . . 5.500 5.647 5.642 5.656 0.156 19 0 "[ . 1 . 2]" 1
678 1 40 ASP HA 1 41 PRO HB3 . . 5.500 4.927 4.899 5.059 . 0 0 "[ . 1 . 2]" 1
679 1 40 ASP HA 1 41 PRO HD2 . . 2.700 2.296 2.193 2.495 . 0 0 "[ . 1 . 2]" 1
680 1 40 ASP HA 1 41 PRO HD3 . . 2.700 2.482 2.354 2.711 0.011 20 0 "[ . 1 . 2]" 1
681 1 40 ASP HA 1 41 PRO HG2 . . 4.500 4.465 4.374 4.570 0.070 19 0 "[ . 1 . 2]" 1
682 1 40 ASP HA 1 41 PRO HG3 . . 4.500 4.571 4.553 4.616 0.116 20 0 "[ . 1 . 2]" 1
683 1 40 ASP HA 1 42 ALA MB . . 5.500 5.052 4.517 5.178 . 0 0 "[ . 1 . 2]" 1
684 1 40 ASP HA 1 43 LEU MD1 . . 5.500 5.330 5.294 5.439 . 0 0 "[ . 1 . 2]" 1
685 1 40 ASP HA 1 43 LEU MD2 . . 4.500 4.662 4.647 4.720 0.220 19 0 "[ . 1 . 2]" 1
686 1 40 ASP HB2 1 43 LEU HB3 . . 5.500 5.517 5.279 5.554 0.054 11 0 "[ . 1 . 2]" 1
687 1 40 ASP HB2 1 43 LEU MD1 . . 4.500 4.553 4.532 4.626 0.126 20 0 "[ . 1 . 2]" 1
688 1 40 ASP HB2 1 43 LEU MD2 . . 3.500 3.168 3.056 3.191 . 0 0 "[ . 1 . 2]" 1
689 1 40 ASP HB2 1 43 LEU HG . . 4.500 3.891 3.835 3.921 . 0 0 "[ . 1 . 2]" 1
690 1 40 ASP HB3 1 41 PRO HA . . 5.500 5.331 5.210 5.356 . 0 0 "[ . 1 . 2]" 1
691 1 40 ASP HB3 1 41 PRO HD2 . . 5.500 4.720 4.677 4.871 . 0 0 "[ . 1 . 2]" 1
692 1 40 ASP HB3 1 41 PRO HD3 . . 5.500 5.213 5.140 5.269 . 0 0 "[ . 1 . 2]" 1
693 1 40 ASP HB3 1 43 LEU HB2 . . 5.500 4.877 4.805 4.906 . 0 0 "[ . 1 . 2]" 1
694 1 40 ASP HB3 1 43 LEU HB3 . . 5.500 4.117 3.985 4.146 . 0 0 "[ . 1 . 2]" 1
695 1 40 ASP HB3 1 43 LEU MD1 . . 5.500 3.172 3.148 3.249 . 0 0 "[ . 1 . 2]" 1
696 1 40 ASP HB3 1 43 LEU MD2 . . 3.500 2.131 2.104 2.172 . 0 0 "[ . 1 . 2]" 1
697 1 40 ASP HB3 1 43 LEU HG . . 4.500 2.188 2.136 2.213 . 0 0 "[ . 1 . 2]" 1
698 1 41 PRO HA 1 42 ALA MB . . 5.500 4.931 4.891 4.941 . 0 0 "[ . 1 . 2]" 1
699 1 41 PRO HA 1 44 LEU HB2 . . 4.500 4.205 3.812 4.298 . 0 0 "[ . 1 . 2]" 1
700 1 41 PRO HA 1 44 LEU HB3 . . 2.700 2.597 2.196 2.705 0.005 13 0 "[ . 1 . 2]" 1
701 1 41 PRO HA 1 44 LEU MD1 . . 2.700 2.194 2.046 3.075 0.375 20 0 "[ . 1 . 2]" 1
702 1 41 PRO HA 1 44 LEU MD2 . . 4.500 4.227 1.792 4.508 0.008 15 0 "[ . 1 . 2]" 1
703 1 41 PRO HA 1 44 LEU HG . . 3.500 3.557 3.464 4.125 0.625 19 2 "[ . 1 . +-]" 1
704 1 41 PRO QB 1 42 ALA H . . 4.500 3.475 3.428 3.699 . 0 0 "[ . 1 . 2]" 1
705 1 41 PRO HB2 1 42 ALA MB . . 4.500 4.542 4.516 4.629 0.129 20 0 "[ . 1 . 2]" 1
706 1 41 PRO HB3 1 42 ALA MB . . 5.500 5.558 5.551 5.570 0.070 20 0 "[ . 1 . 2]" 1
707 1 41 PRO HB3 1 44 LEU MD1 . . 3.500 3.314 3.244 3.703 0.203 19 0 "[ . 1 . 2]" 1
708 1 41 PRO HB3 1 44 LEU MD2 . . 5.500 5.341 2.735 5.624 0.124 15 0 "[ . 1 . 2]" 1
709 1 41 PRO HD2 1 42 ALA MB . . 5.500 4.091 3.563 4.182 . 0 0 "[ . 1 . 2]" 1
710 1 41 PRO HD3 1 42 ALA MB . . 5.500 5.340 4.981 5.402 . 0 0 "[ . 1 . 2]" 1
711 1 41 PRO HG2 1 42 ALA MB . . 3.500 3.561 3.554 3.570 0.070 20 0 "[ . 1 . 2]" 1
712 1 41 PRO HG3 1 42 ALA MB . . 5.500 5.116 5.067 5.126 . 0 0 "[ . 1 . 2]" 1
713 1 42 ALA H 1 42 ALA HA . . 2.700 2.839 2.825 2.881 0.181 19 0 "[ . 1 . 2]" 1
714 1 42 ALA H 1 42 ALA MB . . 2.700 2.135 2.109 2.152 . 0 0 "[ . 1 . 2]" 1
715 1 42 ALA HA 1 45 ALA H . . 4.500 3.944 3.385 4.045 . 0 0 "[ . 1 . 2]" 1
716 1 42 ALA HA 1 45 ALA MB . . 3.500 3.520 3.356 3.582 0.082 12 0 "[ . 1 . 2]" 1
717 1 42 ALA HA 1 46 ALA H . . 5.500 4.450 4.314 4.549 . 0 0 "[ . 1 . 2]" 1
718 1 43 LEU H 1 43 LEU HB2 . . 3.500 3.616 3.607 3.637 0.137 20 0 "[ . 1 . 2]" 1
719 1 43 LEU H 1 43 LEU HB3 . . 2.700 2.544 2.529 2.569 . 0 0 "[ . 1 . 2]" 1
720 1 43 LEU HA 1 43 LEU QB . . 2.700 2.139 2.125 2.181 . 0 0 "[ . 1 . 2]" 1
721 1 43 LEU HA 1 43 LEU MD1 . . 3.500 3.536 3.524 3.585 0.085 20 0 "[ . 1 . 2]" 1
722 1 43 LEU HA 1 46 ALA MB . . 2.700 2.583 2.509 2.771 0.071 20 0 "[ . 1 . 2]" 1
723 1 43 LEU MD1 1 46 ALA MB . . 4.500 4.505 4.437 4.535 0.035 13 0 "[ . 1 . 2]" 1
724 1 43 LEU MD2 1 46 ALA MB . . 5.500 5.575 5.536 5.654 0.154 20 0 "[ . 1 . 2]" 1
725 1 44 LEU H 1 44 LEU QB . . 2.700 2.120 2.083 2.334 . 0 0 "[ . 1 . 2]" 1
726 1 44 LEU HA 1 44 LEU HB2 . . 2.700 2.210 2.161 2.230 . 0 0 "[ . 1 . 2]" 1
727 1 44 LEU HA 1 44 LEU MD1 . . 3.500 3.578 3.556 3.717 0.217 19 0 "[ . 1 . 2]" 1
728 1 44 LEU HA 1 44 LEU MD2 . . 2.700 2.826 2.786 3.110 0.410 20 0 "[ . 1 . 2]" 1
729 1 44 LEU HA 1 45 ALA MB . . 5.500 5.037 4.980 5.067 . 0 0 "[ . 1 . 2]" 1
730 1 44 LEU HA 1 47 TYR HB2 . . 2.700 2.914 2.841 2.987 0.287 12 0 "[ . 1 . 2]" 1
731 1 44 LEU HA 1 47 TYR HB3 . . 2.700 2.584 2.445 2.836 0.136 20 0 "[ . 1 . 2]" 1
732 1 44 LEU HA 1 48 GLN H . . 5.500 3.839 3.781 3.900 . 0 0 "[ . 1 . 2]" 1
733 1 44 LEU HA 1 48 GLN HG2 . . 5.500 4.932 3.966 5.645 0.145 11 0 "[ . 1 . 2]" 1
734 1 44 LEU HA 1 48 GLN HG3 . . 5.500 5.572 5.418 5.671 0.171 3 0 "[ . 1 . 2]" 1
735 1 44 LEU QB 1 45 ALA H . . 3.500 3.323 3.283 3.513 0.013 20 0 "[ . 1 . 2]" 1
736 1 44 LEU QB 1 45 ALA MB . . 5.500 4.547 4.494 4.617 . 0 0 "[ . 1 . 2]" 1
737 1 44 LEU MD1 1 45 ALA HA . . 3.500 2.602 2.399 4.104 0.604 19 2 "[ . 1 . +-]" 1
738 1 44 LEU MD1 1 45 ALA MB . . 4.500 2.713 2.380 4.270 . 0 0 "[ . 1 . 2]" 1
739 1 44 LEU MD1 1 47 TYR HB2 . . 5.500 5.540 5.262 5.590 0.090 12 0 "[ . 1 . 2]" 1
740 1 44 LEU MD1 1 47 TYR HB3 . . 5.500 4.469 4.325 4.582 . 0 0 "[ . 1 . 2]" 1
741 1 44 LEU MD1 1 48 GLN HA . . 5.500 5.407 5.215 5.513 0.013 10 0 "[ . 1 . 2]" 1
742 1 44 LEU MD1 1 48 GLN HB2 . . 4.500 4.342 3.822 4.668 0.168 19 0 "[ . 1 . 2]" 1
743 1 44 LEU MD1 1 48 GLN HB3 . . 4.500 3.981 3.459 4.823 0.323 19 0 "[ . 1 . 2]" 1
744 1 44 LEU MD1 1 48 GLN HG2 . . 5.500 2.604 2.335 2.926 . 0 0 "[ . 1 . 2]" 1
745 1 44 LEU MD2 1 45 ALA HA . . 3.500 3.500 2.082 3.698 0.198 18 0 "[ . 1 . 2]" 1
746 1 44 LEU MD2 1 45 ALA MB . . 4.500 4.153 2.448 4.456 . 0 0 "[ . 1 . 2]" 1
747 1 44 LEU MD2 1 47 TYR HB2 . . 4.500 4.473 4.347 4.983 0.483 20 0 "[ . 1 . 2]" 1
748 1 44 LEU MD2 1 47 TYR HB3 . . 4.500 3.309 3.162 4.100 . 0 0 "[ . 1 . 2]" 1
749 1 44 LEU MD2 1 47 TYR QD . . 5.500 3.097 2.803 4.720 . 0 0 "[ . 1 . 2]" 1
750 1 44 LEU MD2 1 48 GLN HA . . 4.500 4.648 4.574 4.846 0.346 20 0 "[ . 1 . 2]" 1
751 1 44 LEU MD2 1 48 GLN HB2 . . 4.500 4.169 3.248 4.398 . 0 0 "[ . 1 . 2]" 1
752 1 44 LEU MD2 1 48 GLN HB3 . . 4.500 3.592 2.810 4.638 0.138 12 0 "[ . 1 . 2]" 1
753 1 44 LEU MD2 1 48 GLN HG2 . . 4.500 2.867 2.020 3.473 . 0 0 "[ . 1 . 2]" 1
754 1 44 LEU MD2 1 48 GLN HG3 . . 5.500 3.599 2.235 4.293 . 0 0 "[ . 1 . 2]" 1
755 1 45 ALA H 1 45 ALA HA . . 2.700 2.815 2.778 2.841 0.141 12 0 "[ . 1 . 2]" 1
756 1 45 ALA H 1 45 ALA MB . . 2.700 2.299 2.257 2.338 . 0 0 "[ . 1 . 2]" 1
757 1 45 ALA H 1 46 ALA H . . 2.700 2.688 2.647 2.733 0.033 17 0 "[ . 1 . 2]" 1
758 1 45 ALA HA 1 47 TYR HB2 . . 5.500 5.659 5.306 5.751 0.251 15 0 "[ . 1 . 2]" 1
759 1 45 ALA HA 1 48 GLN HA . . 5.500 4.805 4.333 5.141 . 0 0 "[ . 1 . 2]" 1
760 1 45 ALA HA 1 48 GLN HB2 . . 4.500 3.435 2.045 4.521 0.021 9 0 "[ . 1 . 2]" 1
761 1 45 ALA HA 1 48 GLN QB . . 3.500 2.809 2.035 3.422 . 0 0 "[ . 1 . 2]" 1
762 1 45 ALA HA 1 48 GLN HB3 . . 3.500 3.566 3.465 3.654 0.154 2 0 "[ . 1 . 2]" 1
763 1 45 ALA HA 1 48 GLN HG2 . . 2.700 2.303 2.192 2.384 . 0 0 "[ . 1 . 2]" 1
764 1 45 ALA HA 1 48 GLN HG3 . . 2.700 2.349 1.980 2.815 0.115 19 0 "[ . 1 . 2]" 1
765 1 45 ALA MB 1 48 GLN HG2 . . 3.500 3.597 3.511 3.751 0.251 19 0 "[ . 1 . 2]" 1
766 1 45 ALA MB 1 48 GLN HG3 . . 3.500 3.375 3.225 3.534 0.034 6 0 "[ . 1 . 2]" 1
767 1 46 ALA H 1 46 ALA HA . . 2.700 2.853 2.839 2.867 0.167 17 0 "[ . 1 . 2]" 1
768 1 46 ALA H 1 46 ALA MB . . 2.700 2.252 2.225 2.288 . 0 0 "[ . 1 . 2]" 1
769 1 46 ALA H 1 47 TYR H . . 2.700 2.627 2.568 2.696 . 0 0 "[ . 1 . 2]" 1
770 1 46 ALA H 1 48 GLN H . . 5.500 4.195 4.053 4.323 . 0 0 "[ . 1 . 2]" 1
771 1 46 ALA HA 1 49 SER QB . . 2.700 2.360 2.256 2.427 . 0 0 "[ . 1 . 2]" 1
772 1 46 ALA MB 1 47 TYR H . . 2.700 2.686 2.648 2.710 0.010 17 0 "[ . 1 . 2]" 1
773 1 46 ALA MB 1 49 SER QB . . 3.500 3.643 3.599 3.697 0.197 20 0 "[ . 1 . 2]" 1
774 1 47 TYR H 1 47 TYR HA . . 2.700 2.846 2.838 2.859 0.159 20 0 "[ . 1 . 2]" 1
775 1 47 TYR H 1 47 TYR QB . . 2.700 2.192 2.157 2.249 . 0 0 "[ . 1 . 2]" 1
776 1 47 TYR H 1 48 GLN H . . 2.700 2.754 2.664 2.789 0.089 15 0 "[ . 1 . 2]" 1
777 1 47 TYR HA 1 47 TYR HB2 . . 2.700 2.558 2.532 2.616 . 0 0 "[ . 1 . 2]" 1
778 1 47 TYR HA 1 48 GLN H . . 3.500 3.546 3.540 3.553 0.053 12 0 "[ . 1 . 2]" 1
779 1 47 TYR HA 1 50 LYS HB2 . . 3.500 2.723 2.604 2.832 . 0 0 "[ . 1 . 2]" 1
780 1 47 TYR HA 1 50 LYS HB3 . . 4.500 4.423 4.320 4.508 0.008 6 0 "[ . 1 . 2]" 1
781 1 47 TYR QB 1 48 GLN H . . 3.500 2.184 2.138 2.274 . 0 0 "[ . 1 . 2]" 1
782 1 48 GLN H 1 48 GLN HA . . 2.700 2.754 2.722 2.763 0.063 12 0 "[ . 1 . 2]" 1
783 1 48 GLN H 1 48 GLN QB . . 2.700 2.466 2.291 2.675 . 0 0 "[ . 1 . 2]" 1
784 1 48 GLN H 1 49 SER H . . 3.500 2.769 2.687 2.880 . 0 0 "[ . 1 . 2]" 1
785 1 48 GLN H 1 50 LYS H . . 5.500 4.441 4.339 4.611 . 0 0 "[ . 1 . 2]" 1
786 1 48 GLN HA 1 48 GLN QG . . 3.500 3.231 2.946 3.383 . 0 0 "[ . 1 . 2]" 1
787 1 48 GLN HA 1 49 SER H . . 3.500 3.478 3.419 3.530 0.030 7 0 "[ . 1 . 2]" 1
788 1 48 GLN HA 1 49 SER HA . . 5.500 4.788 4.722 4.833 . 0 0 "[ . 1 . 2]" 1
789 1 48 GLN HA 1 49 SER QB . . 5.500 5.335 5.172 5.492 . 0 0 "[ . 1 . 2]" 1
790 1 48 GLN HA 1 51 LEU H . . 5.500 3.591 3.364 3.938 . 0 0 "[ . 1 . 2]" 1
791 1 48 GLN HA 1 51 LEU HA . . 5.500 5.225 5.039 5.519 0.019 20 0 "[ . 1 . 2]" 1
792 1 48 GLN HA 1 51 LEU HB2 . . 3.500 3.307 3.186 3.419 . 0 0 "[ . 1 . 2]" 1
793 1 48 GLN HA 1 51 LEU HB3 . . 3.500 2.265 2.084 2.584 . 0 0 "[ . 1 . 2]" 1
794 1 48 GLN HA 1 51 LEU MD1 . . 2.700 1.925 1.892 1.961 . 0 0 "[ . 1 . 2]" 1
795 1 48 GLN HA 1 51 LEU MD2 . . 3.500 3.016 2.923 3.106 . 0 0 "[ . 1 . 2]" 1
796 1 48 GLN HA 1 51 LEU HG . . 4.500 4.380 4.237 4.593 0.093 20 0 "[ . 1 . 2]" 1
797 1 48 GLN HA 1 52 SER H . . 4.500 4.327 4.080 4.534 0.034 20 0 "[ . 1 . 2]" 1
798 1 48 GLN QB 1 49 SER H . . 3.500 3.304 2.770 3.701 0.201 3 0 "[ . 1 . 2]" 1
799 1 48 GLN HB3 1 51 LEU HB2 . . 5.500 5.553 5.388 5.701 0.201 19 0 "[ . 1 . 2]" 1
800 1 48 GLN HG2 1 51 LEU MD1 . . 4.500 4.425 4.125 4.616 0.116 11 0 "[ . 1 . 2]" 1
801 1 48 GLN HG2 1 51 LEU MD2 . . 5.500 5.563 5.536 5.586 0.086 12 0 "[ . 1 . 2]" 1
802 1 48 GLN HG3 1 51 LEU MD1 . . 4.500 4.571 4.508 4.610 0.110 4 0 "[ . 1 . 2]" 1
803 1 48 GLN HG3 1 51 LEU MD2 . . 5.500 5.393 5.232 5.580 0.080 19 0 "[ . 1 . 2]" 1
804 1 49 SER H 1 49 SER HA . . 2.700 2.832 2.816 2.849 0.149 3 0 "[ . 1 . 2]" 1
805 1 49 SER H 1 49 SER QB . . 2.700 2.377 2.204 2.507 . 0 0 "[ . 1 . 2]" 1
806 1 49 SER H 1 50 LYS H . . 2.700 2.750 2.710 2.779 0.079 11 0 "[ . 1 . 2]" 1
807 1 49 SER HA 1 51 LEU MD1 . . 5.500 5.584 5.526 5.654 0.154 5 0 "[ . 1 . 2]" 1
808 1 49 SER HA 1 51 LEU MD2 . . 4.500 4.617 4.575 4.636 0.136 13 0 "[ . 1 . 2]" 1
809 1 49 SER QB 1 50 LYS H . . 3.500 2.366 2.272 2.493 . 0 0 "[ . 1 . 2]" 1
810 1 49 SER QB 1 50 LYS HA . . 4.500 3.848 3.754 4.251 . 0 0 "[ . 1 . 2]" 1
811 1 49 SER QB 1 50 LYS HB2 . . 4.500 4.384 4.295 4.522 0.022 12 0 "[ . 1 . 2]" 1
812 1 49 SER QB 1 50 LYS HB3 . . 5.500 5.170 5.128 5.469 . 0 0 "[ . 1 . 2]" 1
813 1 49 SER QB 1 50 LYS QD . . 4.500 4.639 4.210 4.686 0.186 11 0 "[ . 1 . 2]" 1
814 1 49 SER QB 1 50 LYS QG . . 4.500 2.910 2.773 3.270 . 0 0 "[ . 1 . 2]" 1
815 1 50 LYS H 1 50 LYS HA . . 2.700 2.836 2.821 2.852 0.152 11 0 "[ . 1 . 2]" 1
816 1 50 LYS H 1 50 LYS HB2 . . 3.500 2.412 2.397 2.431 . 0 0 "[ . 1 . 2]" 1
817 1 50 LYS H 1 50 LYS QB . . 2.700 2.374 2.360 2.391 . 0 0 "[ . 1 . 2]" 1
818 1 50 LYS H 1 50 LYS HB3 . . 3.500 3.537 3.527 3.564 0.064 12 0 "[ . 1 . 2]" 1
819 1 50 LYS H 1 51 LEU H . . 2.700 2.692 2.639 2.715 0.015 6 0 "[ . 1 . 2]" 1
820 1 50 LYS HA 1 50 LYS QB . . 2.700 2.430 2.419 2.464 . 0 0 "[ . 1 . 2]" 1
821 1 50 LYS HA 1 50 LYS QD . . 3.500 3.487 1.902 3.590 0.090 6 0 "[ . 1 . 2]" 1
822 1 50 LYS HA 1 50 LYS QE . . 4.500 1.932 1.844 2.929 . 0 0 "[ . 1 . 2]" 1
823 1 50 LYS HA 1 51 LEU H . . 3.500 3.473 3.413 3.492 . 0 0 "[ . 1 . 2]" 1
824 1 50 LYS HA 1 53 GLU HA . . 4.500 4.686 4.614 4.739 0.239 16 0 "[ . 1 . 2]" 1
825 1 50 LYS HA 1 53 GLU QB . . 2.700 2.199 2.099 2.259 . 0 0 "[ . 1 . 2]" 1
826 1 50 LYS HA 1 53 GLU HG2 . . 4.500 2.522 2.380 2.864 . 0 0 "[ . 1 . 2]" 1
827 1 50 LYS HA 1 53 GLU HG3 . . 4.500 3.232 3.148 3.595 . 0 0 "[ . 1 . 2]" 1
828 1 50 LYS QB 1 51 LEU H . . 3.500 2.751 2.706 2.875 . 0 0 "[ . 1 . 2]" 1
829 1 50 LYS QD 1 53 GLU QB . . 4.500 4.276 2.380 4.474 . 0 0 "[ . 1 . 2]" 1
830 1 50 LYS QD 1 53 GLU HG2 . . 5.500 4.657 2.563 4.862 . 0 0 "[ . 1 . 2]" 1
831 1 50 LYS QD 1 53 GLU HG3 . . 5.500 4.250 2.472 4.502 . 0 0 "[ . 1 . 2]" 1
832 1 50 LYS HE2 1 53 GLU QB . . 4.500 3.448 3.353 4.143 . 0 0 "[ . 1 . 2]" 1
833 1 50 LYS HE3 1 53 GLU HA . . 5.500 5.253 5.171 5.603 0.103 12 0 "[ . 1 . 2]" 1
834 1 50 LYS HE3 1 53 GLU QB . . 5.500 2.359 2.288 2.651 . 0 0 "[ . 1 . 2]" 1
835 1 50 LYS HG2 1 53 GLU QB . . 4.500 4.219 4.125 4.537 0.037 12 0 "[ . 1 . 2]" 1
836 1 50 LYS HG2 1 53 GLU HG2 . . 5.500 3.747 3.546 4.535 . 0 0 "[ . 1 . 2]" 1
837 1 50 LYS HG2 1 53 GLU HG3 . . 5.500 4.153 3.904 4.940 . 0 0 "[ . 1 . 2]" 1
838 1 50 LYS HG3 1 53 GLU QB . . 5.500 5.352 4.868 5.432 . 0 0 "[ . 1 . 2]" 1
839 1 50 LYS HG3 1 53 GLU HG2 . . 5.500 5.399 5.261 5.542 0.042 12 0 "[ . 1 . 2]" 1
840 1 50 LYS HG3 1 53 GLU HG3 . . 5.500 5.631 5.443 5.677 0.177 17 0 "[ . 1 . 2]" 1
841 1 51 LEU H 1 51 LEU HA . . 2.700 2.823 2.808 2.833 0.133 9 0 "[ . 1 . 2]" 1
842 1 51 LEU H 1 51 LEU QB . . 2.700 1.868 1.839 1.909 . 0 0 "[ . 1 . 2]" 1
843 1 51 LEU H 1 52 SER H . . 2.700 2.778 2.760 2.805 0.105 12 0 "[ . 1 . 2]" 1
844 1 51 LEU H 1 53 GLU H . . 5.500 4.132 4.070 4.165 . 0 0 "[ . 1 . 2]" 1
845 1 51 LEU HA 1 51 LEU HB2 . . 2.700 2.370 2.319 2.450 . 0 0 "[ . 1 . 2]" 1
846 1 51 LEU HA 1 51 LEU MD1 . . 4.500 3.958 3.860 4.032 . 0 0 "[ . 1 . 2]" 1
847 1 51 LEU HA 1 51 LEU MD2 . . 3.500 3.513 3.500 3.537 0.037 20 0 "[ . 1 . 2]" 1
848 1 51 LEU HA 1 52 SER H . . 3.500 3.581 3.574 3.600 0.100 14 0 "[ . 1 . 2]" 1
849 1 51 LEU HA 1 54 TYR HB2 . . 4.500 4.565 4.522 4.634 0.134 6 0 "[ . 1 . 2]" 1
850 1 51 LEU HA 1 54 TYR HB3 . . 3.500 3.011 2.934 3.126 . 0 0 "[ . 1 . 2]" 1
851 1 51 LEU HA 1 54 TYR QE . . 4.500 4.664 4.625 4.706 0.206 13 0 "[ . 1 . 2]" 1
852 1 51 LEU QB 1 52 SER H . . 3.500 2.677 2.512 2.816 . 0 0 "[ . 1 . 2]" 1
853 1 51 LEU MD1 1 52 SER HA . . 5.500 5.474 5.359 5.556 0.056 12 0 "[ . 1 . 2]" 1
854 1 51 LEU MD2 1 52 SER HA . . 5.500 2.924 2.846 2.976 . 0 0 "[ . 1 . 2]" 1
855 1 51 LEU MD2 1 55 ASN HB2 . . 5.500 4.197 3.772 4.396 . 0 0 "[ . 1 . 2]" 1
856 1 51 LEU MD2 1 55 ASN HB3 . . 5.500 5.342 4.954 5.534 0.034 1 0 "[ . 1 . 2]" 1
857 1 52 SER H 1 52 SER HA . . 2.700 2.874 2.849 2.895 0.195 3 0 "[ . 1 . 2]" 1
858 1 52 SER H 1 52 SER QB . . 2.700 2.533 2.464 2.559 . 0 0 "[ . 1 . 2]" 1
859 1 52 SER H 1 52 SER HB3 . . 3.500 3.618 3.609 3.629 0.129 14 0 "[ . 1 . 2]" 1
860 1 52 SER H 1 53 GLU H . . 2.700 2.622 2.535 2.716 0.016 11 0 "[ . 1 . 2]" 1
861 1 52 SER H 1 54 TYR H . . 5.500 4.065 3.992 4.178 . 0 0 "[ . 1 . 2]" 1
862 1 52 SER HA 1 52 SER HB3 . . 2.700 2.374 2.356 2.427 . 0 0 "[ . 1 . 2]" 1
863 1 52 SER HA 1 53 GLU H . . 3.500 3.605 3.598 3.620 0.120 12 0 "[ . 1 . 2]" 1
864 1 52 SER HA 1 55 ASN QB . . 2.700 2.704 2.164 2.779 0.079 3 0 "[ . 1 . 2]" 1
865 1 52 SER QB 1 53 GLU QB . . 4.500 4.563 4.551 4.596 0.096 14 0 "[ . 1 . 2]" 1
866 1 52 SER QB 1 53 GLU QG . . 4.500 4.105 3.979 4.352 . 0 0 "[ . 1 . 2]" 1
867 1 52 SER QB 1 55 ASN HB2 . . 4.500 4.524 3.879 4.588 0.088 10 0 "[ . 1 . 2]" 1
868 1 52 SER QB 1 55 ASN HB3 . . 4.500 4.538 4.484 4.636 0.136 14 0 "[ . 1 . 2]" 1
869 1 53 GLU H 1 53 GLU HA . . 2.700 2.790 2.773 2.822 0.122 12 0 "[ . 1 . 2]" 1
870 1 53 GLU H 1 53 GLU QB . . 2.700 2.493 2.412 2.601 . 0 0 "[ . 1 . 2]" 1
871 1 53 GLU H 1 53 GLU HB3 . . 3.500 3.617 3.613 3.628 0.128 6 0 "[ . 1 . 2]" 1
872 1 53 GLU H 1 54 TYR H . . 2.700 2.761 2.744 2.774 0.074 10 0 "[ . 1 . 2]" 1
873 1 53 GLU HA 1 53 GLU HB3 . . 2.700 2.379 2.331 2.473 . 0 0 "[ . 1 . 2]" 1
874 1 53 GLU HA 1 53 GLU QG . . 3.500 3.130 3.088 3.154 . 0 0 "[ . 1 . 2]" 1
875 1 53 GLU HA 1 54 TYR H . . 3.500 3.538 3.529 3.546 0.046 16 0 "[ . 1 . 2]" 1
876 1 53 GLU HA 1 56 LEU HB2 . . 3.500 2.097 2.019 2.618 . 0 0 "[ . 1 . 2]" 1
877 1 53 GLU HA 1 56 LEU HB3 . . 3.500 3.444 2.032 3.593 0.093 16 0 "[ . 1 . 2]" 1
878 1 53 GLU HA 1 56 LEU MD1 . . 3.500 3.394 2.844 3.518 0.018 14 0 "[ . 1 . 2]" 1
879 1 53 GLU HA 1 56 LEU MD2 . . 3.500 2.136 2.070 2.899 . 0 0 "[ . 1 . 2]" 1
880 1 53 GLU HA 1 56 LEU HG . . 4.500 4.502 4.440 4.670 0.170 12 0 "[ . 1 . 2]" 1
881 1 53 GLU QB 1 54 TYR H . . 2.700 2.601 2.562 2.709 0.009 12 0 "[ . 1 . 2]" 1
882 1 53 GLU QB 1 56 LEU HB2 . . 4.500 3.652 3.544 4.603 0.103 12 0 "[ . 1 . 2]" 1
883 1 53 GLU QB 1 56 LEU HB3 . . 4.500 4.502 3.530 4.588 0.088 11 0 "[ . 1 . 2]" 1
884 1 53 GLU QB 1 56 LEU MD2 . . 3.500 3.628 3.521 3.656 0.156 2 0 "[ . 1 . 2]" 1
885 1 53 GLU HG2 1 56 LEU MD2 . . 4.500 4.178 4.083 4.601 0.101 12 0 "[ . 1 . 2]" 1
886 1 53 GLU HG3 1 56 LEU MD2 . . 4.500 4.516 4.268 4.561 0.061 6 0 "[ . 1 . 2]" 1
887 1 54 TYR H 1 54 TYR HA . . 2.700 2.844 2.838 2.859 0.159 16 0 "[ . 1 . 2]" 1
888 1 54 TYR H 1 54 TYR QB . . 2.700 2.042 1.992 2.081 . 0 0 "[ . 1 . 2]" 1
889 1 54 TYR H 1 55 ASN H . . 3.500 2.694 2.632 2.729 . 0 0 "[ . 1 . 2]" 1
890 1 54 TYR HA 1 57 TYR HB2 . . 3.500 3.477 3.384 3.531 0.031 7 0 "[ . 1 . 2]" 1
891 1 54 TYR HA 1 57 TYR HB3 . . 3.500 2.294 2.144 2.386 . 0 0 "[ . 1 . 2]" 1
892 1 54 TYR HA 1 58 ARG H . . 5.500 4.082 3.952 4.240 . 0 0 "[ . 1 . 2]" 1
893 1 54 TYR QB 1 55 ASN H . . 4.500 3.189 3.082 3.262 . 0 0 "[ . 1 . 2]" 1
894 1 54 TYR QE 1 55 ASN HA . . 4.500 4.607 4.563 4.659 0.159 10 0 "[ . 1 . 2]" 1
895 1 55 ASN H 1 55 ASN HA . . 2.700 2.836 2.816 2.852 0.152 10 0 "[ . 1 . 2]" 1
896 1 55 ASN H 1 55 ASN QB . . 2.700 2.136 2.072 2.167 . 0 0 "[ . 1 . 2]" 1
897 1 55 ASN H 1 56 LEU H . . 3.500 2.642 2.541 2.747 . 0 0 "[ . 1 . 2]" 1
898 1 55 ASN H 1 57 TYR H . . 5.500 4.165 4.057 4.241 . 0 0 "[ . 1 . 2]" 1
899 1 55 ASN HA 1 56 LEU H . . 4.500 3.575 3.537 3.588 . 0 0 "[ . 1 . 2]" 1
900 1 55 ASN HA 1 58 ARG HA . . 5.500 4.846 4.746 4.939 . 0 0 "[ . 1 . 2]" 1
901 1 55 ASN HA 1 58 ARG QB . . 3.500 2.001 1.961 2.059 . 0 0 "[ . 1 . 2]" 1
902 1 55 ASN HA 1 58 ARG HD2 . . 4.500 4.497 3.822 4.655 0.155 4 0 "[ . 1 . 2]" 1
903 1 55 ASN HA 1 58 ARG HD3 . . 4.500 3.718 3.010 4.503 0.003 8 0 "[ . 1 . 2]" 1
904 1 55 ASN HA 1 58 ARG QG . . 3.500 3.357 3.068 3.519 0.019 10 0 "[ . 1 . 2]" 1
905 1 55 ASN HA 1 59 ASN H . . 5.500 4.103 4.035 4.195 . 0 0 "[ . 1 . 2]" 1
906 1 55 ASN QB 1 56 LEU H . . 4.500 2.969 2.901 3.046 . 0 0 "[ . 1 . 2]" 1
907 1 55 ASN HB2 1 58 ARG QG . . 5.500 5.588 5.530 5.695 0.195 10 0 "[ . 1 . 2]" 1
908 1 55 ASN HB3 1 58 ARG HB2 . . 4.500 4.633 4.518 4.694 0.194 13 0 "[ . 1 . 2]" 1
909 1 55 ASN HB3 1 58 ARG HB3 . . 4.500 4.605 4.529 4.687 0.187 18 0 "[ . 1 . 2]" 1
910 1 55 ASN HB3 1 58 ARG QG . . 5.500 5.496 5.149 5.575 0.075 15 0 "[ . 1 . 2]" 1
911 1 56 LEU H 1 56 LEU HA . . 2.700 2.875 2.850 2.884 0.184 16 0 "[ . 1 . 2]" 1
912 1 56 LEU H 1 56 LEU QB . . 2.700 2.113 2.072 2.167 . 0 0 "[ . 1 . 2]" 1
913 1 56 LEU H 1 57 TYR H . . 2.700 2.683 2.627 2.712 0.012 1 0 "[ . 1 . 2]" 1
914 1 56 LEU HA 1 56 LEU HG . . 3.500 2.824 2.516 2.910 . 0 0 "[ . 1 . 2]" 1
915 1 56 LEU HA 1 57 TYR H . . 4.500 3.601 3.573 3.617 . 0 0 "[ . 1 . 2]" 1
916 1 56 LEU HA 1 59 ASN H . . 4.500 2.738 2.688 2.809 . 0 0 "[ . 1 . 2]" 1
917 1 56 LEU HA 1 59 ASN HA . . 4.500 4.586 4.544 4.675 0.175 12 0 "[ . 1 . 2]" 1
918 1 56 LEU HA 1 59 ASN HB2 . . 2.700 2.443 2.379 2.564 . 0 0 "[ . 1 . 2]" 1
919 1 56 LEU HA 1 59 ASN HB3 . . 2.700 2.275 2.183 2.349 . 0 0 "[ . 1 . 2]" 1
920 1 56 LEU HA 1 60 ALA H . . 5.500 3.673 3.582 3.750 . 0 0 "[ . 1 . 2]" 1
921 1 56 LEU HA 1 60 ALA MB . . 4.500 4.564 4.469 4.610 0.110 16 0 "[ . 1 . 2]" 1
922 1 56 LEU QB 1 57 TYR H . . 4.500 2.647 2.538 2.775 . 0 0 "[ . 1 . 2]" 1
923 1 56 LEU HB2 1 60 ALA MB . . 5.500 5.580 5.444 5.660 0.160 15 0 "[ . 1 . 2]" 1
924 1 56 LEU HB3 1 60 ALA MB . . 5.500 4.428 4.205 4.925 . 0 0 "[ . 1 . 2]" 1
925 1 56 LEU MD1 1 59 ASN HB2 . . 5.500 3.334 3.106 4.671 . 0 0 "[ . 1 . 2]" 1
926 1 56 LEU MD1 1 59 ASN HB3 . . 5.500 3.661 3.386 4.121 . 0 0 "[ . 1 . 2]" 1
927 1 56 LEU MD2 1 59 ASN HB2 . . 5.500 5.575 5.558 5.598 0.098 3 0 "[ . 1 . 2]" 1
928 1 56 LEU MD2 1 59 ASN HB3 . . 5.500 5.194 4.480 5.356 . 0 0 "[ . 1 . 2]" 1
929 1 57 TYR H 1 57 TYR HA . . 2.700 2.798 2.788 2.808 0.108 19 0 "[ . 1 . 2]" 1
930 1 57 TYR H 1 57 TYR QB . . 2.700 2.243 2.182 2.272 . 0 0 "[ . 1 . 2]" 1
931 1 57 TYR H 1 58 ARG H . . 2.700 2.713 2.692 2.727 0.027 14 0 "[ . 1 . 2]" 1
932 1 57 TYR HA 1 58 ARG H . . 3.500 3.525 3.513 3.535 0.035 11 0 "[ . 1 . 2]" 1
933 1 57 TYR HA 1 58 ARG HA . . 5.500 4.905 4.838 4.943 . 0 0 "[ . 1 . 2]" 1
934 1 57 TYR HA 1 60 ALA MB . . 2.700 2.690 2.522 2.768 0.068 17 0 "[ . 1 . 2]" 1
935 1 57 TYR QB 1 58 ARG H . . 3.500 2.801 2.726 2.922 . 0 0 "[ . 1 . 2]" 1
936 1 57 TYR HB2 1 60 ALA MB . . 5.500 4.603 4.416 4.739 . 0 0 "[ . 1 . 2]" 1
937 1 57 TYR HB3 1 60 ALA MB . . 5.500 5.189 5.058 5.259 . 0 0 "[ . 1 . 2]" 1
938 1 57 TYR QE 1 58 ARG QB . . 4.500 4.607 4.547 4.677 0.177 17 0 "[ . 1 . 2]" 1
939 1 57 TYR QE 1 58 ARG HD2 . . 4.500 2.716 2.377 4.514 0.014 10 0 "[ . 1 . 2]" 1
940 1 57 TYR QE 1 58 ARG HD3 . . 4.500 4.015 3.797 4.513 0.013 14 0 "[ . 1 . 2]" 1
941 1 57 TYR QE 1 58 ARG QG . . 4.500 4.431 4.236 4.565 0.065 13 0 "[ . 1 . 2]" 1
942 1 58 ARG H 1 58 ARG HA . . 2.700 2.822 2.807 2.839 0.139 8 0 "[ . 1 . 2]" 1
943 1 58 ARG H 1 58 ARG QB . . 2.700 1.935 1.882 2.000 . 0 0 "[ . 1 . 2]" 1
944 1 58 ARG H 1 59 ASN H . . 2.700 2.758 2.743 2.773 0.073 19 0 "[ . 1 . 2]" 1
945 1 58 ARG H 1 60 ALA H . . 4.500 4.311 4.206 4.408 . 0 0 "[ . 1 . 2]" 1
946 1 58 ARG HA 1 58 ARG QD . . 3.500 2.421 2.175 3.209 . 0 0 "[ . 1 . 2]" 1
947 1 58 ARG HA 1 58 ARG QG . . 3.500 2.552 2.306 2.728 . 0 0 "[ . 1 . 2]" 1
948 1 58 ARG HA 1 59 ASN H . . 3.500 3.537 3.527 3.552 0.052 10 0 "[ . 1 . 2]" 1
949 1 58 ARG HA 1 59 ASN HA . . 5.500 4.826 4.795 4.853 . 0 0 "[ . 1 . 2]" 1
950 1 58 ARG HA 1 61 GLN H . . 4.500 3.313 3.056 3.525 . 0 0 "[ . 1 . 2]" 1
951 1 58 ARG HA 1 61 GLN HB2 . . 3.500 3.604 3.512 3.687 0.187 15 0 "[ . 1 . 2]" 1
952 1 58 ARG HA 1 61 GLN HB3 . . 3.500 2.412 2.060 2.856 . 0 0 "[ . 1 . 2]" 1
953 1 58 ARG HA 1 61 GLN QG . . 4.500 4.337 4.044 4.614 0.114 8 0 "[ . 1 . 2]" 1
954 1 58 ARG QB 1 59 ASN H . . 3.500 2.631 2.494 2.746 . 0 0 "[ . 1 . 2]" 1
955 1 58 ARG QB 1 59 ASN HA . . 5.500 3.932 3.839 4.034 . 0 0 "[ . 1 . 2]" 1
956 1 58 ARG QG 1 59 ASN HA . . 5.500 5.089 4.857 5.284 . 0 0 "[ . 1 . 2]" 1
957 1 58 ARG QG 1 61 GLN QG . . 5.500 5.244 4.734 5.548 0.048 8 0 "[ . 1 . 2]" 1
958 1 59 ASN H 1 59 ASN HA . . 2.700 2.813 2.802 2.826 0.126 3 0 "[ . 1 . 2]" 1
959 1 59 ASN H 1 59 ASN QB . . 2.700 2.234 2.220 2.254 . 0 0 "[ . 1 . 2]" 1
960 1 59 ASN H 1 60 ALA H . . 2.700 2.726 2.702 2.742 0.042 19 0 "[ . 1 . 2]" 1
961 1 59 ASN HA 1 59 ASN HB2 . . 2.700 2.576 2.546 2.615 . 0 0 "[ . 1 . 2]" 1
962 1 59 ASN HA 1 60 ALA H . . 3.500 3.541 3.530 3.548 0.048 1 0 "[ . 1 . 2]" 1
963 1 59 ASN HA 1 60 ALA HA . . 5.500 4.878 4.851 4.902 . 0 0 "[ . 1 . 2]" 1
964 1 59 ASN HA 1 60 ALA MB . . 5.500 4.973 4.925 5.016 . 0 0 "[ . 1 . 2]" 1
965 1 59 ASN HA 1 62 SER H . . 4.500 3.998 3.746 4.373 . 0 0 "[ . 1 . 2]" 1
966 1 59 ASN HA 1 62 SER HB2 . . 3.500 3.527 3.375 3.609 0.109 12 0 "[ . 1 . 2]" 1
967 1 59 ASN HA 1 62 SER HB3 . . 3.500 2.760 2.455 3.139 . 0 0 "[ . 1 . 2]" 1
968 1 59 ASN HA 1 63 ASN H . . 5.500 5.129 4.215 5.558 0.058 3 0 "[ . 1 . 2]" 1
969 1 59 ASN QB 1 60 ALA H . . 3.500 2.448 2.379 2.543 . 0 0 "[ . 1 . 2]" 1
970 1 60 ALA H 1 60 ALA HA . . 2.700 2.835 2.816 2.850 0.150 15 0 "[ . 1 . 2]" 1
971 1 60 ALA H 1 60 ALA MB . . 2.700 2.129 2.069 2.183 . 0 0 "[ . 1 . 2]" 1
972 1 60 ALA H 1 61 GLN H . . 2.700 2.731 2.703 2.745 0.045 17 0 "[ . 1 . 2]" 1
973 1 60 ALA H 1 62 SER H . . 5.500 4.101 3.926 4.347 . 0 0 "[ . 1 . 2]" 1
974 1 60 ALA HA 1 63 ASN H . . 3.500 3.416 2.990 3.576 0.076 13 0 "[ . 1 . 2]" 1
975 1 60 ALA HA 1 63 ASN HB2 . . 2.700 2.625 2.401 2.721 0.021 15 0 "[ . 1 . 2]" 1
976 1 60 ALA HA 1 63 ASN HB3 . . 2.700 2.695 2.520 2.754 0.054 17 0 "[ . 1 . 2]" 1
977 1 60 ALA HA 1 65 VAL MG2 . . 5.500 5.585 5.509 5.717 0.217 15 0 "[ . 1 . 2]" 1
978 1 60 ALA MB 1 61 GLN H . . 3.500 2.491 2.360 2.597 . 0 0 "[ . 1 . 2]" 1
979 1 60 ALA MB 1 61 GLN HB2 . . 4.500 3.846 3.641 3.969 . 0 0 "[ . 1 . 2]" 1
980 1 60 ALA MB 1 61 GLN QG . . 5.500 5.282 5.077 5.433 . 0 0 "[ . 1 . 2]" 1
981 1 60 ALA MB 1 63 ASN HB2 . . 4.500 4.283 4.070 4.409 . 0 0 "[ . 1 . 2]" 1
982 1 60 ALA MB 1 63 ASN HB3 . . 4.500 3.945 3.733 4.149 . 0 0 "[ . 1 . 2]" 1
983 1 60 ALA MB 1 65 VAL MG2 . . 5.500 5.558 5.504 5.630 0.130 17 0 "[ . 1 . 2]" 1
984 1 61 GLN H 1 61 GLN HA . . 2.700 2.848 2.835 2.858 0.158 11 0 "[ . 1 . 2]" 1
985 1 61 GLN H 1 61 GLN QB . . 2.700 2.192 2.127 2.233 . 0 0 "[ . 1 . 2]" 1
986 1 61 GLN H 1 62 SER H . . 3.500 2.945 2.874 3.083 . 0 0 "[ . 1 . 2]" 1
987 1 61 GLN H 1 63 ASN H . . 5.500 4.311 4.268 4.418 . 0 0 "[ . 1 . 2]" 1
988 1 61 GLN HA 1 61 GLN HB2 . . 2.700 2.431 2.328 2.535 . 0 0 "[ . 1 . 2]" 1
989 1 61 GLN HA 1 61 GLN QG . . 3.500 2.417 2.253 2.544 . 0 0 "[ . 1 . 2]" 1
990 1 61 GLN HA 1 62 SER H . . 3.500 2.827 2.526 2.997 . 0 0 "[ . 1 . 2]" 1
991 1 61 GLN HA 1 65 VAL H . . 5.500 3.837 3.688 4.032 . 0 0 "[ . 1 . 2]" 1
992 1 61 GLN HA 1 65 VAL MG2 . . 5.500 2.918 2.819 3.018 . 0 0 "[ . 1 . 2]" 1
993 1 61 GLN QB 1 62 SER H . . 3.500 3.686 3.640 3.740 0.240 16 0 "[ . 1 . 2]" 1
994 1 61 GLN HB2 1 64 THR HB . . 5.500 5.755 5.608 5.848 0.348 9 0 "[ . 1 . 2]" 1
995 1 61 GLN HB2 1 64 THR MG . . 5.500 3.556 3.424 3.701 . 0 0 "[ . 1 . 2]" 1
996 1 61 GLN HB2 1 65 VAL MG2 . . 5.500 4.680 4.498 4.819 . 0 0 "[ . 1 . 2]" 1
997 1 61 GLN QG 1 62 SER HA . . 4.500 4.578 4.514 4.621 0.121 14 0 "[ . 1 . 2]" 1
998 1 61 GLN QG 1 62 SER QB . . 5.500 4.929 4.786 5.131 . 0 0 "[ . 1 . 2]" 1
999 1 61 GLN QG 1 64 THR HB . . 5.500 5.511 5.194 5.650 0.150 3 0 "[ . 1 . 2]" 1
1000 1 61 GLN QG 1 65 VAL MG1 . . 4.500 4.557 4.377 4.624 0.124 8 0 "[ . 1 . 2]" 1
1001 1 61 GLN QG 1 65 VAL MG2 . . 3.500 2.838 2.542 2.990 . 0 0 "[ . 1 . 2]" 1
1002 1 62 SER H 1 62 SER HA . . 2.700 2.901 2.885 2.917 0.217 19 0 "[ . 1 . 2]" 1
1003 1 62 SER H 1 62 SER QB . . 2.700 2.695 2.632 2.743 0.043 16 0 "[ . 1 . 2]" 1
1004 1 62 SER H 1 63 ASN H . . 2.700 1.846 1.759 1.916 . 0 0 "[ . 1 . 2]" 1
1005 1 62 SER HA 1 62 SER HB2 . . 2.700 2.513 2.398 2.612 . 0 0 "[ . 1 . 2]" 1
1006 1 62 SER HA 1 63 ASN H . . 3.500 3.190 2.995 3.560 0.060 15 0 "[ . 1 . 2]" 1
1007 1 62 SER HA 1 63 ASN HA . . 5.500 4.589 4.436 4.885 . 0 0 "[ . 1 . 2]" 1
1008 1 62 SER HA 1 64 THR MG . . 5.500 3.926 3.695 4.076 . 0 0 "[ . 1 . 2]" 1
1009 1 62 SER HA 1 65 VAL H . . 5.500 3.800 3.597 3.914 . 0 0 "[ . 1 . 2]" 1
1010 1 62 SER HA 1 65 VAL HB . . 2.700 2.814 2.705 2.911 0.211 12 0 "[ . 1 . 2]" 1
1011 1 62 SER HA 1 65 VAL MG1 . . 4.500 3.452 3.345 3.574 . 0 0 "[ . 1 . 2]" 1
1012 1 62 SER HA 1 65 VAL MG2 . . 3.500 1.978 1.940 2.024 . 0 0 "[ . 1 . 2]" 1
1013 1 62 SER HA 1 66 LYS H . . 5.500 4.709 3.982 5.189 . 0 0 "[ . 1 . 2]" 1
1014 1 62 SER QB 1 63 ASN H . . 4.500 3.420 2.628 3.729 . 0 0 "[ . 1 . 2]" 1
1015 1 62 SER QB 1 65 VAL HB . . 5.500 4.809 4.615 4.958 . 0 0 "[ . 1 . 2]" 1
1016 1 62 SER QB 1 65 VAL MG1 . . 5.500 4.906 4.801 5.032 . 0 0 "[ . 1 . 2]" 1
1017 1 62 SER QB 1 65 VAL MG2 . . 3.500 3.575 3.534 3.635 0.135 19 0 "[ . 1 . 2]" 1
1018 1 62 SER HB2 1 64 THR MG . . 5.500 5.368 5.192 5.488 . 0 0 "[ . 1 . 2]" 1
1019 1 62 SER HB3 1 63 ASN HA . . 5.500 4.859 4.432 5.076 . 0 0 "[ . 1 . 2]" 1
1020 1 62 SER HB3 1 64 THR MG . . 5.500 5.483 5.137 5.593 0.093 4 0 "[ . 1 . 2]" 1
1021 1 63 ASN H 1 63 ASN HA . . 2.700 2.882 2.767 2.923 0.223 9 0 "[ . 1 . 2]" 1
1022 1 63 ASN H 1 63 ASN QB . . 2.700 2.330 2.032 2.485 . 0 0 "[ . 1 . 2]" 1
1023 1 63 ASN H 1 64 THR H . . 2.700 2.278 2.047 2.828 0.128 8 0 "[ . 1 . 2]" 1
1024 1 63 ASN HA 1 63 ASN HB2 . . 2.700 2.660 2.604 2.708 0.008 19 0 "[ . 1 . 2]" 1
1025 1 63 ASN HA 1 64 THR H . . 3.500 3.522 3.479 3.540 0.040 14 0 "[ . 1 . 2]" 1
1026 1 63 ASN HA 1 64 THR MG . . 4.500 4.644 4.611 4.700 0.200 17 0 "[ . 1 . 2]" 1
1027 1 63 ASN HA 1 65 VAL MG2 . . 5.500 4.376 4.160 4.765 . 0 0 "[ . 1 . 2]" 1
1028 1 63 ASN HA 1 66 LYS HA . . 5.500 5.529 5.398 5.612 0.112 3 0 "[ . 1 . 2]" 1
1029 1 63 ASN HA 1 66 LYS QB . . 3.500 2.617 2.453 2.715 . 0 0 "[ . 1 . 2]" 1
1030 1 63 ASN HA 1 66 LYS HD2 . . 5.500 4.255 2.549 5.563 0.063 7 0 "[ . 1 . 2]" 1
1031 1 63 ASN HA 1 66 LYS QD . . 4.500 3.260 2.516 4.187 . 0 0 "[ . 1 . 2]" 1
1032 1 63 ASN HA 1 66 LYS HD3 . . 5.500 3.711 2.979 4.336 . 0 0 "[ . 1 . 2]" 1
1033 1 63 ASN HA 1 67 VAL MG2 . . 4.500 4.112 3.780 4.403 . 0 0 "[ . 1 . 2]" 1
1034 1 63 ASN QB 1 64 THR H . . 3.500 2.255 2.171 2.318 . 0 0 "[ . 1 . 2]" 1
1035 1 63 ASN QB 1 64 THR HB . . 5.500 3.892 3.674 3.977 . 0 0 "[ . 1 . 2]" 1
1036 1 63 ASN HB2 1 64 THR MG . . 4.500 4.663 4.624 4.710 0.210 7 0 "[ . 1 . 2]" 1
1037 1 63 ASN HB2 1 65 VAL MG2 . . 5.500 5.085 4.910 5.421 . 0 0 "[ . 1 . 2]" 1
1038 1 63 ASN HB3 1 64 THR MG . . 4.500 3.932 3.744 4.126 . 0 0 "[ . 1 . 2]" 1
1039 1 63 ASN HB3 1 65 VAL MG2 . . 5.500 4.945 4.884 5.103 . 0 0 "[ . 1 . 2]" 1
1040 1 64 THR H 1 64 THR HA . . 2.700 2.764 2.740 2.828 0.128 16 0 "[ . 1 . 2]" 1
1041 1 64 THR H 1 64 THR HB . . 2.700 2.313 2.227 2.440 . 0 0 "[ . 1 . 2]" 1
1042 1 64 THR H 1 64 THR MG . . 2.700 2.002 1.817 2.111 . 0 0 "[ . 1 . 2]" 1
1043 1 64 THR HA 1 64 THR HB . . 2.700 2.379 2.345 2.414 . 0 0 "[ . 1 . 2]" 1
1044 1 64 THR HA 1 64 THR MG . . 3.500 3.221 3.199 3.241 . 0 0 "[ . 1 . 2]" 1
1045 1 64 THR HA 1 65 VAL H . . 3.500 3.423 3.407 3.434 . 0 0 "[ . 1 . 2]" 1
1046 1 64 THR HA 1 65 VAL HB . . 5.500 5.711 5.651 5.807 0.307 8 0 "[ . 1 . 2]" 1
1047 1 64 THR HA 1 65 VAL MG2 . . 4.500 4.546 4.512 4.581 0.081 11 0 "[ . 1 . 2]" 1
1048 1 64 THR HA 1 67 VAL HB . . 3.500 2.024 1.966 2.074 . 0 0 "[ . 1 . 2]" 1
1049 1 64 THR HA 1 67 VAL MG1 . . 4.500 3.135 3.027 3.293 . 0 0 "[ . 1 . 2]" 1
1050 1 64 THR HA 1 67 VAL MG2 . . 3.500 2.866 2.779 2.931 . 0 0 "[ . 1 . 2]" 1
1051 1 64 THR HB 1 65 VAL H . . 3.500 3.681 3.636 3.758 0.258 16 0 "[ . 1 . 2]" 1
1052 1 64 THR HB 1 65 VAL MG2 . . 4.500 4.304 4.222 4.404 . 0 0 "[ . 1 . 2]" 1
1053 1 64 THR HB 1 67 VAL HB . . 4.500 4.364 4.328 4.415 . 0 0 "[ . 1 . 2]" 1
1054 1 64 THR HB 1 67 VAL MG1 . . 4.500 4.700 4.632 4.777 0.277 15 0 "[ . 1 . 2]" 1
1055 1 64 THR HB 1 67 VAL MG2 . . 4.500 4.589 4.562 4.624 0.124 16 0 "[ . 1 . 2]" 1
1056 1 64 THR HB 1 68 PHE QE . . 4.500 4.561 4.512 4.606 0.106 3 0 "[ . 1 . 2]" 1
1057 1 64 THR MG 1 65 VAL HA . . 4.500 3.462 3.388 3.516 . 0 0 "[ . 1 . 2]" 1
1058 1 64 THR MG 1 65 VAL HB . . 5.500 3.930 3.855 4.001 . 0 0 "[ . 1 . 2]" 1
1059 1 64 THR MG 1 65 VAL MG2 . . 4.500 2.015 1.889 2.103 . 0 0 "[ . 1 . 2]" 1
1060 1 64 THR MG 1 66 LYS QB . . 5.500 5.322 5.099 5.420 . 0 0 "[ . 1 . 2]" 1
1061 1 64 THR MG 1 66 LYS QD . . 5.500 5.330 4.908 5.603 0.103 8 0 "[ . 1 . 2]" 1
1062 1 64 THR MG 1 67 VAL HB . . 5.500 4.676 4.603 4.725 . 0 0 "[ . 1 . 2]" 1
1063 1 64 THR MG 1 67 VAL MG1 . . 5.500 5.126 5.044 5.190 . 0 0 "[ . 1 . 2]" 1
1064 1 65 VAL H 1 65 VAL HA . . 2.700 2.755 2.736 2.791 0.091 16 0 "[ . 1 . 2]" 1
1065 1 65 VAL H 1 65 VAL HB . . 2.700 2.709 2.676 2.739 0.039 8 0 "[ . 1 . 2]" 1
1066 1 65 VAL H 1 65 VAL MG1 . . 3.500 3.575 3.537 3.614 0.114 11 0 "[ . 1 . 2]" 1
1067 1 65 VAL H 1 65 VAL MG2 . . 2.700 1.651 1.618 1.670 . 0 0 "[ . 1 . 2]" 1
1068 1 65 VAL H 1 66 LYS H . . 3.500 2.805 2.710 2.853 . 0 0 "[ . 1 . 2]" 1
1069 1 65 VAL HA 1 65 VAL MG1 . . 2.700 2.304 2.263 2.332 . 0 0 "[ . 1 . 2]" 1
1070 1 65 VAL HA 1 65 VAL MG2 . . 2.700 2.652 2.549 2.744 0.044 8 0 "[ . 1 . 2]" 1
1071 1 65 VAL HA 1 66 LYS H . . 3.500 3.489 3.449 3.548 0.048 17 0 "[ . 1 . 2]" 1
1072 1 65 VAL HA 1 68 PHE QB . . 3.500 3.347 2.714 3.584 0.084 20 0 "[ . 1 . 2]" 1
1073 1 65 VAL HA 1 68 PHE QE . . 4.500 4.225 3.270 4.519 0.019 19 0 "[ . 1 . 2]" 1
1074 1 65 VAL HB 1 66 LYS H . . 4.500 2.642 2.240 2.888 . 0 0 "[ . 1 . 2]" 1
1075 1 65 VAL HB 1 66 LYS HA . . 5.500 4.421 4.228 4.588 . 0 0 "[ . 1 . 2]" 1
1076 1 65 VAL MG1 1 68 PHE QB . . 5.500 4.484 3.780 4.796 . 0 0 "[ . 1 . 2]" 1
1077 1 65 VAL MG2 1 66 LYS HA . . 5.500 5.499 5.411 5.567 0.067 19 0 "[ . 1 . 2]" 1
1078 1 65 VAL MG2 1 66 LYS QB . . 4.500 4.605 4.560 4.684 0.184 18 0 "[ . 1 . 2]" 1
1079 1 65 VAL MG2 1 66 LYS QD . . 5.500 3.920 3.410 4.707 . 0 0 "[ . 1 . 2]" 1
1080 1 65 VAL MG2 1 66 LYS QG . . 5.500 4.878 4.119 5.546 0.046 17 0 "[ . 1 . 2]" 1
1081 1 65 VAL MG2 1 68 PHE QB . . 5.500 5.242 4.751 5.505 0.005 8 0 "[ . 1 . 2]" 1
1082 1 66 LYS H 1 66 LYS HA . . 2.700 2.910 2.837 2.937 0.237 19 0 "[ . 1 . 2]" 1
1083 1 66 LYS H 1 66 LYS QB . . 2.700 2.182 2.065 2.281 . 0 0 "[ . 1 . 2]" 1
1084 1 66 LYS H 1 66 LYS HB3 . . 3.500 3.481 3.367 3.553 0.053 12 0 "[ . 1 . 2]" 1
1085 1 66 LYS H 1 67 VAL H . . 3.500 2.407 2.132 2.867 . 0 0 "[ . 1 . 2]" 1
1086 1 66 LYS HA 1 66 LYS HB3 . . 2.700 2.646 2.581 2.729 0.029 10 0 "[ . 1 . 2]" 1
1087 1 66 LYS HA 1 66 LYS QE . . 5.500 4.521 4.294 4.674 . 0 0 "[ . 1 . 2]" 1
1088 1 66 LYS HA 1 67 VAL H . . 3.500 3.223 3.131 3.336 . 0 0 "[ . 1 . 2]" 1
1089 1 66 LYS HA 1 69 LYS HB2 . . 2.700 2.775 2.706 2.876 0.176 19 0 "[ . 1 . 2]" 1
1090 1 66 LYS HA 1 69 LYS HB3 . . 2.700 2.498 2.142 2.799 0.099 3 0 "[ . 1 . 2]" 1
1091 1 66 LYS QB 1 67 VAL H . . 3.500 3.477 3.402 3.528 0.028 7 0 "[ . 1 . 2]" 1
1092 1 66 LYS QB 1 67 VAL HA . . 4.500 4.504 4.463 4.552 0.052 3 0 "[ . 1 . 2]" 1
1093 1 66 LYS QB 1 67 VAL MG1 . . 5.500 5.516 5.433 5.569 0.069 9 0 "[ . 1 . 2]" 1
1094 1 66 LYS QB 1 67 VAL MG2 . . 5.500 3.446 3.339 3.535 . 0 0 "[ . 1 . 2]" 1
1095 1 67 VAL H 1 67 VAL HA . . 2.700 2.920 2.915 2.931 0.231 7 0 "[ . 1 . 2]" 1
1096 1 67 VAL H 1 67 VAL HB . . 2.700 2.227 2.158 2.280 . 0 0 "[ . 1 . 2]" 1
1097 1 67 VAL H 1 67 VAL MG1 . . 3.500 3.562 3.521 3.590 0.090 18 0 "[ . 1 . 2]" 1
1098 1 67 VAL H 1 67 VAL MG2 . . 2.700 2.777 2.757 2.811 0.111 8 0 "[ . 1 . 2]" 1
1099 1 67 VAL H 1 68 PHE H . . 2.700 2.124 2.015 2.189 . 0 0 "[ . 1 . 2]" 1
1100 1 67 VAL H 1 69 LYS H . . 5.500 3.254 3.076 4.138 . 0 0 "[ . 1 . 2]" 1
1101 1 67 VAL HA 1 67 VAL MG1 . . 2.700 2.656 2.623 2.725 0.025 8 0 "[ . 1 . 2]" 1
1102 1 67 VAL HA 1 68 PHE H . . 3.500 3.565 3.536 3.579 0.079 14 0 "[ . 1 . 2]" 1
1103 1 67 VAL HA 1 68 PHE HA . . 5.500 4.788 4.693 4.901 . 0 0 "[ . 1 . 2]" 1
1104 1 67 VAL HA 1 70 ASP H . . 5.500 2.717 2.461 2.960 . 0 0 "[ . 1 . 2]" 1
1105 1 67 VAL HA 1 70 ASP HA . . 5.500 4.842 4.498 5.225 . 0 0 "[ . 1 . 2]" 1
1106 1 67 VAL HA 1 70 ASP HB2 . . 4.500 2.641 2.223 3.251 . 0 0 "[ . 1 . 2]" 1
1107 1 67 VAL HA 1 70 ASP HB3 . . 3.500 3.283 2.582 3.559 0.059 7 0 "[ . 1 . 2]" 1
1108 1 67 VAL HB 1 68 PHE H . . 3.500 2.841 2.767 2.914 . 0 0 "[ . 1 . 2]" 1
1109 1 67 VAL HB 1 68 PHE HA . . 5.500 4.927 4.799 5.079 . 0 0 "[ . 1 . 2]" 1
1110 1 67 VAL MG1 1 68 PHE HA . . 4.500 3.617 3.539 3.782 . 0 0 "[ . 1 . 2]" 1
1111 1 67 VAL MG1 1 68 PHE QB . . 4.500 4.546 4.471 4.604 0.104 3 0 "[ . 1 . 2]" 1
1112 1 67 VAL MG1 1 69 LYS QB . . 5.500 5.179 5.013 5.296 . 0 0 "[ . 1 . 2]" 1
1113 1 67 VAL MG1 1 70 ASP HA . . 5.500 5.672 5.583 5.734 0.234 17 0 "[ . 1 . 2]" 1
1114 1 67 VAL MG2 1 68 PHE HA . . 5.500 5.581 5.569 5.590 0.090 9 0 "[ . 1 . 2]" 1
1115 1 67 VAL MG2 1 68 PHE QB . . 5.500 5.589 5.555 5.642 0.142 15 0 "[ . 1 . 2]" 1
1116 1 67 VAL MG2 1 69 LYS QB . . 4.500 4.582 4.529 4.624 0.124 17 0 "[ . 1 . 2]" 1
1117 1 67 VAL MG2 1 69 LYS QD . . 4.500 4.570 4.518 4.610 0.110 19 0 "[ . 1 . 2]" 1
1118 1 68 PHE H 1 68 PHE HA . . 2.700 2.839 2.785 2.884 0.184 15 0 "[ . 1 . 2]" 1
1119 1 68 PHE H 1 68 PHE QB . . 2.700 2.264 2.203 2.332 . 0 0 "[ . 1 . 2]" 1
1120 1 68 PHE H 1 68 PHE HB3 . . 3.500 3.522 3.498 3.536 0.036 15 0 "[ . 1 . 2]" 1
1121 1 68 PHE H 1 69 LYS H . . 3.500 2.621 2.552 3.109 . 0 0 "[ . 1 . 2]" 1
1122 1 68 PHE HA 1 68 PHE HB3 . . 2.700 2.557 2.454 2.625 . 0 0 "[ . 1 . 2]" 1
1123 1 68 PHE HA 1 69 LYS H . . 3.500 3.432 2.545 3.545 0.045 17 0 "[ . 1 . 2]" 1
1124 1 68 PHE HA 1 71 ILE HB . . 2.700 2.556 2.310 2.868 0.168 14 0 "[ . 1 . 2]" 1
1125 1 68 PHE HA 1 71 ILE MD . . 4.500 3.586 2.154 4.743 0.243 9 0 "[ . 1 . 2]" 1
1126 1 68 PHE HA 1 71 ILE HG12 . . 5.500 4.461 3.635 5.169 . 0 0 "[ . 1 . 2]" 1
1127 1 68 PHE HA 1 71 ILE HG13 . . 5.500 4.542 3.740 5.081 . 0 0 "[ . 1 . 2]" 1
1128 1 68 PHE HA 1 71 ILE MG . . 4.500 3.100 2.146 4.280 . 0 0 "[ . 1 . 2]" 1
1129 1 68 PHE QB 1 69 LYS H . . 3.500 2.824 2.424 3.678 0.178 19 0 "[ . 1 . 2]" 1
1130 1 68 PHE QB 1 71 ILE HB . . 5.500 4.253 3.824 4.387 . 0 0 "[ . 1 . 2]" 1
1131 1 68 PHE QB 1 71 ILE MD . . 5.500 4.822 4.105 5.493 . 0 0 "[ . 1 . 2]" 1
1132 1 68 PHE HB2 1 69 LYS HA . . 5.500 4.828 4.524 5.385 . 0 0 "[ . 1 . 2]" 1
1133 1 68 PHE HB2 1 71 ILE HB . . 5.500 5.397 5.052 5.546 0.046 15 0 "[ . 1 . 2]" 1
1134 1 68 PHE HB3 1 69 LYS HA . . 5.500 4.910 4.790 5.331 . 0 0 "[ . 1 . 2]" 1
1135 1 68 PHE HB3 1 71 ILE HB . . 4.500 4.455 3.959 4.615 0.115 19 0 "[ . 1 . 2]" 1
1136 1 68 PHE HB3 1 71 ILE MG . . 5.500 3.817 2.747 5.164 . 0 0 "[ . 1 . 2]" 1
1137 1 69 LYS H 1 69 LYS HA . . 2.700 2.821 2.786 2.924 0.224 15 0 "[ . 1 . 2]" 1
1138 1 69 LYS H 1 69 LYS QB . . 2.700 2.090 2.006 2.569 . 0 0 "[ . 1 . 2]" 1
1139 1 69 LYS HA 1 69 LYS HB2 . . 2.700 2.435 2.387 2.539 . 0 0 "[ . 1 . 2]" 1
1140 1 69 LYS HA 1 69 LYS QE . . 4.500 4.506 4.388 4.563 0.063 3 0 "[ . 1 . 2]" 1
1141 1 69 LYS HA 1 70 ASP H . . 3.500 3.541 3.525 3.577 0.077 19 0 "[ . 1 . 2]" 1
1142 1 69 LYS HA 1 72 ASP H . . 5.500 3.517 3.124 3.661 . 0 0 "[ . 1 . 2]" 1
1143 1 69 LYS HA 1 72 ASP HB2 . . 3.500 3.615 3.510 3.694 0.194 18 0 "[ . 1 . 2]" 1
1144 1 69 LYS HA 1 72 ASP HB3 . . 3.500 2.434 2.183 2.891 . 0 0 "[ . 1 . 2]" 1
1145 1 69 LYS HA 1 73 ALA H . . 5.500 4.057 3.838 4.322 . 0 0 "[ . 1 . 2]" 1
1146 1 69 LYS QB 1 70 ASP H . . 3.500 2.770 2.336 2.973 . 0 0 "[ . 1 . 2]" 1
1147 1 69 LYS QE 1 73 ALA MB . . 5.500 2.923 2.289 3.780 . 0 0 "[ . 1 . 2]" 1
1148 1 70 ASP H 1 70 ASP HA . . 2.700 2.863 2.833 2.890 0.190 3 0 "[ . 1 . 2]" 1
1149 1 70 ASP H 1 70 ASP QB . . 2.700 2.235 2.161 2.313 . 0 0 "[ . 1 . 2]" 1
1150 1 70 ASP H 1 71 ILE H . . 3.500 2.487 2.411 2.597 . 0 0 "[ . 1 . 2]" 1
1151 1 70 ASP HA 1 70 ASP HB2 . . 2.700 2.615 2.488 2.722 0.022 6 0 "[ . 1 . 2]" 1
1152 1 70 ASP HA 1 71 ILE H . . 3.500 3.513 3.447 3.537 0.037 20 0 "[ . 1 . 2]" 1
1153 1 70 ASP HA 1 71 ILE HA . . 4.500 4.684 4.632 4.777 0.277 15 0 "[ . 1 . 2]" 1
1154 1 70 ASP HA 1 73 ALA MB . . 3.500 2.214 2.112 2.314 . 0 0 "[ . 1 . 2]" 1
1155 1 70 ASP QB 1 71 ILE H . . 3.500 2.858 2.671 3.005 . 0 0 "[ . 1 . 2]" 1
1156 1 70 ASP QB 1 73 ALA MB . . 4.500 3.957 3.855 4.047 . 0 0 "[ . 1 . 2]" 1
1157 1 70 ASP HB2 1 73 ALA MB . . 4.500 4.370 4.161 4.552 0.052 18 0 "[ . 1 . 2]" 1
1158 1 70 ASP HB3 1 73 ALA MB . . 4.500 4.536 4.357 4.606 0.106 16 0 "[ . 1 . 2]" 1
1159 1 71 ILE H 1 71 ILE HA . . 2.700 2.831 2.748 2.864 0.164 7 0 "[ . 1 . 2]" 1
1160 1 71 ILE H 1 71 ILE HB . . 2.700 2.234 1.957 2.377 . 0 0 "[ . 1 . 2]" 1
1161 1 71 ILE HA 1 71 ILE MD . . 3.500 2.721 2.404 3.313 . 0 0 "[ . 1 . 2]" 1
1162 1 71 ILE HA 1 71 ILE QG . . 3.500 2.301 2.168 2.479 . 0 0 "[ . 1 . 2]" 1
1163 1 71 ILE HA 1 71 ILE MG . . 3.500 3.011 2.669 3.282 . 0 0 "[ . 1 . 2]" 1
1164 1 71 ILE HA 1 72 ASP H . . 3.500 3.522 3.382 3.544 0.044 18 0 "[ . 1 . 2]" 1
1165 1 71 ILE HA 1 74 ALA H . . 5.500 3.315 3.189 3.775 . 0 0 "[ . 1 . 2]" 1
1166 1 71 ILE HA 1 74 ALA MB . . 2.700 2.747 2.615 2.833 0.133 15 0 "[ . 1 . 2]" 1
1167 1 71 ILE HA 1 75 ILE H . . 5.500 4.501 4.275 5.180 . 0 0 "[ . 1 . 2]" 1
1168 1 71 ILE HB 1 72 ASP H . . 3.500 3.147 2.605 3.662 0.162 15 0 "[ . 1 . 2]" 1
1169 1 71 ILE HB 1 74 ALA MB . . 5.500 5.052 4.880 5.153 . 0 0 "[ . 1 . 2]" 1
1170 1 71 ILE MD 1 72 ASP HB2 . . 5.500 5.290 4.510 5.664 0.164 3 0 "[ . 1 . 2]" 1
1171 1 71 ILE MD 1 72 ASP HB3 . . 5.500 5.633 5.564 5.709 0.209 20 0 "[ . 1 . 2]" 1
1172 1 71 ILE MD 1 74 ALA MB . . 4.500 3.687 2.552 4.546 0.046 14 0 "[ . 1 . 2]" 1
1173 1 71 ILE MG 1 72 ASP HA . . 4.500 3.319 3.189 3.456 . 0 0 "[ . 1 . 2]" 1
1174 1 71 ILE MG 1 72 ASP HB2 . . 4.500 3.430 2.687 3.758 . 0 0 "[ . 1 . 2]" 1
1175 1 71 ILE MG 1 72 ASP HB3 . . 4.500 4.202 3.297 4.599 0.099 3 0 "[ . 1 . 2]" 1
1176 1 71 ILE MG 1 74 ALA MB . . 4.500 3.984 3.342 4.529 0.029 19 0 "[ . 1 . 2]" 1
1177 1 72 ASP H 1 72 ASP HA . . 2.700 2.812 2.785 2.924 0.224 15 0 "[ . 1 . 2]" 1
1178 1 72 ASP H 1 72 ASP QB . . 2.700 2.073 2.015 2.227 . 0 0 "[ . 1 . 2]" 1
1179 1 72 ASP HA 1 72 ASP HB2 . . 2.700 2.390 2.357 2.419 . 0 0 "[ . 1 . 2]" 1
1180 1 72 ASP HA 1 73 ALA H . . 3.500 3.570 3.536 3.587 0.087 8 0 "[ . 1 . 2]" 1
1181 1 72 ASP HA 1 73 ALA HA . . 5.500 4.806 4.781 4.868 . 0 0 "[ . 1 . 2]" 1
1182 1 72 ASP HA 1 74 ALA MB . . 4.500 4.506 3.869 4.598 0.098 1 0 "[ . 1 . 2]" 1
1183 1 72 ASP HA 1 75 ILE H . . 4.500 2.818 2.733 3.029 . 0 0 "[ . 1 . 2]" 1
1184 1 72 ASP HA 1 75 ILE HB . . 2.700 2.398 2.057 2.743 0.043 8 0 "[ . 1 . 2]" 1
1185 1 72 ASP HA 1 75 ILE MD . . 5.500 2.183 2.085 3.430 . 0 0 "[ . 1 . 2]" 1
1186 1 72 ASP HA 1 75 ILE QG . . 5.500 2.676 2.505 2.991 . 0 0 "[ . 1 . 2]" 1
1187 1 72 ASP HA 1 75 ILE MG . . 5.500 3.869 3.332 4.112 . 0 0 "[ . 1 . 2]" 1
1188 1 72 ASP QB 1 73 ALA H . . 2.700 2.739 2.710 2.795 0.095 15 0 "[ . 1 . 2]" 1
1189 1 72 ASP QB 1 75 ILE HB . . 4.500 4.148 3.927 4.465 . 0 0 "[ . 1 . 2]" 1
1190 1 72 ASP QB 1 75 ILE MD . . 5.500 3.188 2.907 4.795 . 0 0 "[ . 1 . 2]" 1
1191 1 72 ASP QB 1 75 ILE HG12 . . 5.500 5.449 4.226 5.707 0.207 8 0 "[ . 1 . 2]" 1
1192 1 72 ASP QB 1 75 ILE HG13 . . 5.500 4.723 4.490 5.720 0.220 1 0 "[ . 1 . 2]" 1
1193 1 72 ASP QB 1 75 ILE MG . . 5.500 4.907 4.427 5.236 . 0 0 "[ . 1 . 2]" 1
1194 1 73 ALA H 1 73 ALA HA . . 2.700 2.827 2.813 2.853 0.153 1 0 "[ . 1 . 2]" 1
1195 1 73 ALA H 1 73 ALA MB . . 2.700 2.225 2.197 2.251 . 0 0 "[ . 1 . 2]" 1
1196 1 73 ALA H 1 75 ILE H . . 5.500 4.192 3.966 4.294 . 0 0 "[ . 1 . 2]" 1
1197 1 73 ALA HA 1 76 LEU HB2 . . 2.700 2.156 2.048 2.365 . 0 0 "[ . 1 . 2]" 1
1198 1 73 ALA HA 1 76 LEU HB3 . . 3.500 3.360 2.667 3.571 0.071 3 0 "[ . 1 . 2]" 1
1199 1 73 ALA HA 1 76 LEU MD1 . . 3.500 3.378 2.965 3.641 0.141 8 0 "[ . 1 . 2]" 1
1200 1 73 ALA HA 1 76 LEU MD2 . . 3.500 2.671 2.328 3.553 0.053 3 0 "[ . 1 . 2]" 1
1201 1 73 ALA HA 1 76 LEU HG . . 4.500 4.163 2.196 4.681 0.181 5 0 "[ . 1 . 2]" 1
1202 1 74 ALA H 1 74 ALA HA . . 2.700 2.870 2.815 2.936 0.236 11 0 "[ . 1 . 2]" 1
1203 1 74 ALA H 1 74 ALA MB . . 2.700 2.239 2.107 2.330 . 0 0 "[ . 1 . 2]" 1
1204 1 74 ALA H 1 75 ILE H . . 2.700 2.534 2.143 2.728 0.028 15 0 "[ . 1 . 2]" 1
1205 1 74 ALA HA 1 75 ILE H . . 3.500 3.564 3.520 3.585 0.085 19 0 "[ . 1 . 2]" 1
1206 1 74 ALA HA 1 77 GLU QB . . 2.700 2.517 2.092 2.785 0.085 16 0 "[ . 1 . 2]" 1
1207 1 74 ALA HA 1 77 GLU HG2 . . 4.500 4.037 3.479 4.552 0.052 12 0 "[ . 1 . 2]" 1
1208 1 74 ALA HA 1 77 GLU HG3 . . 4.500 3.682 2.891 4.616 0.116 12 0 "[ . 1 . 2]" 1
1209 1 74 ALA MB 1 75 ILE H . . 2.700 2.711 2.573 2.756 0.056 15 0 "[ . 1 . 2]" 1
1210 1 74 ALA MB 1 75 ILE HA . . 4.500 4.105 4.047 4.168 . 0 0 "[ . 1 . 2]" 1
1211 1 74 ALA MB 1 75 ILE HB . . 5.500 4.879 4.386 4.989 . 0 0 "[ . 1 . 2]" 1
1212 1 75 ILE H 1 75 ILE HA . . 2.700 2.830 2.813 2.882 0.182 15 0 "[ . 1 . 2]" 1
1213 1 75 ILE H 1 75 ILE HB . . 2.700 2.570 2.159 2.682 . 0 0 "[ . 1 . 2]" 1
1214 1 75 ILE H 1 77 GLU H . . 5.500 4.223 3.886 4.389 . 0 0 "[ . 1 . 2]" 1
1215 1 75 ILE HA 1 75 ILE HG13 . . 2.700 2.863 2.708 2.954 0.254 8 0 "[ . 1 . 2]" 1
1216 1 75 ILE HA 1 76 LEU HA . . 5.500 4.990 4.914 5.108 . 0 0 "[ . 1 . 2]" 1
1217 1 75 ILE HA 1 78 HIS HA . . 5.500 5.063 4.896 5.136 . 0 0 "[ . 1 . 2]" 1
1218 1 75 ILE HA 1 78 HIS HB2 . . 2.700 2.757 2.486 2.805 0.105 20 0 "[ . 1 . 2]" 1
1219 1 75 ILE HA 1 78 HIS HB3 . . 2.700 2.635 2.259 2.796 0.096 8 0 "[ . 1 . 2]" 1
1220 1 76 LEU HA 1 76 LEU MD1 . . 2.700 2.374 2.147 2.847 0.147 14 0 "[ . 1 . 2]" 1
1221 1 76 LEU HA 1 79 HIS QB . . 4.500 3.358 2.335 4.542 0.042 2 0 "[ . 1 . 2]" 1
1222 1 76 LEU QB 1 77 GLU H . . 4.500 2.581 2.343 3.101 . 0 0 "[ . 1 . 2]" 1
1223 1 77 GLU H 1 77 GLU HA . . 2.700 2.836 2.792 2.928 0.228 3 0 "[ . 1 . 2]" 1
1224 1 77 GLU H 1 77 GLU QB . . 2.700 2.321 2.121 2.481 . 0 0 "[ . 1 . 2]" 1
1225 1 77 GLU HA 1 77 GLU HG3 . . 3.500 3.356 2.482 3.660 0.160 13 0 "[ . 1 . 2]" 1
1226 1 78 HIS H 1 78 HIS QB . . 2.700 2.272 2.115 2.533 . 0 0 "[ . 1 . 2]" 1
1227 1 78 HIS HA 1 78 HIS HB2 . . 2.700 2.617 2.515 2.709 0.009 20 0 "[ . 1 . 2]" 1
stop_
save_