NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404968 |
1x4n   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4n
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 1399
_Distance_constraint_stats_list.Viol_count 1503
_Distance_constraint_stats_list.Viol_total 2193.965
_Distance_constraint_stats_list.Viol_max 0.933
_Distance_constraint_stats_list.Viol_rms 0.0360
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0730
_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 12 ARG 0.610 0.169 10 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.297 0.058 17 0 "[ . 1 . 2]"
1 15 MET 0.256 0.064 17 0 "[ . 1 . 2]"
1 16 THR 0.110 0.056 17 0 "[ . 1 . 2]"
1 17 GLU 3.104 0.612 20 1 "[ . 1 . +]"
1 18 GLU 1.965 0.266 20 0 "[ . 1 . 2]"
1 19 TYR 0.030 0.008 4 0 "[ . 1 . 2]"
1 20 LYS 3.915 0.933 20 1 "[ . 1 . +]"
1 21 VAL 0.342 0.088 20 0 "[ . 1 . 2]"
1 22 PRO 0.162 0.028 15 0 "[ . 1 . 2]"
1 23 ASP 0.187 0.016 9 0 "[ . 1 . 2]"
1 24 GLY 0.452 0.108 3 0 "[ . 1 . 2]"
1 25 MET 0.563 0.042 20 0 "[ . 1 . 2]"
1 26 VAL 8.971 0.444 3 0 "[ . 1 . 2]"
1 27 GLY 1.636 0.536 13 1 "[ . 1 + . 2]"
1 28 PHE 0.479 0.029 1 0 "[ . 1 . 2]"
1 29 ILE 11.201 0.444 3 0 "[ . 1 . 2]"
1 30 ILE 3.575 0.536 13 1 "[ . 1 + . 2]"
1 31 GLY 0.028 0.020 13 0 "[ . 1 . 2]"
1 32 ARG 1.188 0.171 11 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 4.420 0.183 18 0 "[ . 1 . 2]"
1 35 GLU 3.129 0.183 18 0 "[ . 1 . 2]"
1 36 GLN 0.187 0.025 16 0 "[ . 1 . 2]"
1 37 ILE 0.914 0.568 3 1 "[ + . 1 . 2]"
1 38 SER 0.561 0.215 19 0 "[ . 1 . 2]"
1 39 ARG 8.115 0.922 19 10 "[ ***** *1* * +-]"
1 40 ILE 4.153 0.321 1 0 "[ . 1 . 2]"
1 41 GLN 2.248 0.568 3 1 "[ + . 1 . 2]"
1 42 GLN 1.341 0.068 13 0 "[ . 1 . 2]"
1 43 GLU 1.449 0.922 19 1 "[ . 1 . +2]"
1 44 SER 3.427 0.477 1 0 "[ . 1 . 2]"
1 45 GLY 0.084 0.011 10 0 "[ . 1 . 2]"
1 46 CYS 1.168 0.805 6 1 "[ .+ 1 . 2]"
1 47 LYS 7.543 0.592 18 3 "[*- . 1 . + 2]"
1 48 ILE 5.232 0.241 16 0 "[ . 1 . 2]"
1 49 GLN 5.735 0.592 18 3 "[*- . 1 . + 2]"
1 50 ILE 0.650 0.343 19 0 "[ . 1 . 2]"
1 51 ALA 7.485 0.312 15 0 "[ . 1 . 2]"
1 52 PRO 5.718 0.312 15 0 "[ . 1 . 2]"
1 53 ASP 0.009 0.009 17 0 "[ . 1 . 2]"
1 54 SER 3.466 0.501 16 1 "[ . 1 .+ 2]"
1 55 GLY 0.016 0.016 9 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 5.654 0.918 15 3 "[ * . 1 + -2]"
1 58 PRO 5.064 0.918 15 3 "[ * . 1 + -2]"
1 59 GLU 2.157 0.933 20 1 "[ . 1 . +]"
1 60 ARG 15.512 0.518 8 3 "[ . + 1 *.- 2]"
1 61 SER 1.402 0.483 20 0 "[ . 1 . 2]"
1 62 CYS 1.199 0.834 20 1 "[ . 1 . +]"
1 63 MET 1.032 0.248 20 0 "[ . 1 . 2]"
1 64 LEU 0.632 0.077 14 0 "[ . 1 . 2]"
1 65 THR 0.327 0.152 2 0 "[ . 1 . 2]"
1 66 GLY 0.481 0.064 17 0 "[ . 1 . 2]"
1 67 THR 0.334 0.095 6 0 "[ . 1 . 2]"
1 68 PRO 1.959 0.261 4 0 "[ . 1 . 2]"
1 69 GLU 2.703 0.261 4 0 "[ . 1 . 2]"
1 70 SER 1.172 0.805 6 1 "[ .+ 1 . 2]"
1 71 VAL 0.201 0.038 6 0 "[ . 1 . 2]"
1 72 GLN 0.047 0.023 4 0 "[ . 1 . 2]"
1 73 SER 3.771 0.477 1 0 "[ . 1 . 2]"
1 74 ALA 0.184 0.018 5 0 "[ . 1 . 2]"
1 75 LYS 0.719 0.041 3 0 "[ . 1 . 2]"
1 76 ARG 7.217 0.354 14 0 "[ . 1 . 2]"
1 77 LEU 1.743 0.718 9 2 "[ . +1- . 2]"
1 78 LEU 3.666 0.321 1 0 "[ . 1 . 2]"
1 79 ASP 2.113 0.256 11 0 "[ . 1 . 2]"
1 80 GLN 6.734 0.718 9 5 "[ * * +1*- . 2]"
1 81 ILE 0.315 0.070 20 0 "[ . 1 . 2]"
1 82 VAL 0.686 0.136 11 0 "[ . 1 . 2]"
1 83 GLU 2.305 0.587 3 3 "[ + * 1 - . 2]"
1 84 LYS 1.856 0.237 8 0 "[ . 1 . 2]"
1 85 GLY 0.322 0.093 4 0 "[ . 1 . 2]"
1 86 ARG 1.344 0.401 20 0 "[ . 1 . 2]"
1 87 SER 0.032 0.032 13 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 19 TYR H 1 64 LEU MD1 . . 5.250 2.547 2.382 2.805 . 0 0 "[ . 1 . 2]" 1
2 1 19 TYR H 1 19 TYR HB3 . . 3.780 2.491 2.343 2.592 . 0 0 "[ . 1 . 2]" 1
3 1 18 GLU HG3 1 19 TYR H . . 4.520 3.381 3.156 3.646 . 0 0 "[ . 1 . 2]" 1
4 1 18 GLU HG2 1 19 TYR H . . 4.300 4.151 3.713 4.295 . 0 0 "[ . 1 . 2]" 1
5 1 18 GLU HB3 1 19 TYR H . . 4.640 4.550 4.443 4.624 . 0 0 "[ . 1 . 2]" 1
6 1 17 GLU QB 1 64 LEU H . . 3.780 3.700 3.397 3.786 0.006 20 0 "[ . 1 . 2]" 1
7 1 16 THR MG 1 64 LEU H . . 5.120 3.575 3.312 3.962 . 0 0 "[ . 1 . 2]" 1
8 1 64 LEU H 1 64 LEU MD1 . . 4.430 2.576 2.287 2.817 . 0 0 "[ . 1 . 2]" 1
9 1 49 GLN HA 1 50 ILE H . . 3.420 2.233 2.210 2.239 . 0 0 "[ . 1 . 2]" 1
10 1 49 GLN HB2 1 50 ILE H . . 5.500 4.635 4.505 4.716 . 0 0 "[ . 1 . 2]" 1
11 1 50 ILE H 1 50 ILE MD . . 5.210 3.760 3.676 3.874 . 0 0 "[ . 1 . 2]" 1
12 1 17 GLU H 1 64 LEU HB2 . . 3.970 3.111 2.871 3.408 . 0 0 "[ . 1 . 2]" 1
13 1 17 GLU H 1 64 LEU HB3 . . 5.490 4.542 4.371 4.876 . 0 0 "[ . 1 . 2]" 1
14 1 17 GLU H 1 71 VAL MG2 . . 4.980 4.116 3.723 4.418 . 0 0 "[ . 1 . 2]" 1
15 1 47 LYS H 1 47 LYS HG2 . . 5.130 4.571 4.404 4.659 . 0 0 "[ . 1 . 2]" 1
16 1 46 CYS HA 1 47 LYS H . . 3.240 2.433 2.374 2.448 . 0 0 "[ . 1 . 2]" 1
17 1 47 LYS H 1 47 LYS HB2 . . 3.370 2.437 2.335 2.558 . 0 0 "[ . 1 . 2]" 1
18 1 47 LYS H 1 47 LYS HB3 . . 3.320 2.716 2.611 2.787 . 0 0 "[ . 1 . 2]" 1
19 1 48 ILE HB 1 49 GLN H . . 5.040 4.543 4.478 4.568 . 0 0 "[ . 1 . 2]" 1
20 1 48 ILE HG12 1 49 GLN H . . 4.790 4.776 4.686 4.806 0.016 18 0 "[ . 1 . 2]" 1
21 1 49 GLN H 1 49 GLN HB3 . . 3.350 3.488 3.249 3.665 0.315 20 0 "[ . 1 . 2]" 1
22 1 49 GLN H 1 50 ILE HG13 . . 4.830 4.557 4.455 4.642 . 0 0 "[ . 1 . 2]" 1
23 1 17 GLU HA 1 18 GLU H . . 3.170 2.402 2.275 2.622 . 0 0 "[ . 1 . 2]" 1
24 1 17 GLU HG2 1 18 GLU H . . 3.850 3.301 2.222 4.039 0.189 4 0 "[ . 1 . 2]" 1
25 1 18 GLU H 1 18 GLU HB2 . . 3.430 3.061 2.845 3.241 . 0 0 "[ . 1 . 2]" 1
26 1 18 GLU H 1 18 GLU HB3 . . 3.490 2.487 2.307 2.630 . 0 0 "[ . 1 . 2]" 1
27 1 41 GLN QB 1 48 ILE H . . 4.480 4.261 4.088 4.383 . 0 0 "[ . 1 . 2]" 1
28 1 47 LYS HB2 1 48 ILE H . . 4.070 4.295 4.284 4.311 0.241 16 0 "[ . 1 . 2]" 1
29 1 47 LYS HB3 1 48 ILE H . . 4.280 3.812 3.713 3.987 . 0 0 "[ . 1 . 2]" 1
30 1 48 ILE H 1 48 ILE HB . . 3.490 2.674 2.642 2.703 . 0 0 "[ . 1 . 2]" 1
31 1 47 LYS HG3 1 48 ILE H . . 3.630 2.860 2.228 3.871 0.241 8 0 "[ . 1 . 2]" 1
32 1 48 ILE H 1 48 ILE HG12 . . 4.800 4.430 4.390 4.461 . 0 0 "[ . 1 . 2]" 1
33 1 47 LYS QD 1 48 ILE H . . 4.640 4.299 3.522 4.557 . 0 0 "[ . 1 . 2]" 1
34 1 19 TYR HA 1 20 LYS H . . 3.300 2.195 2.187 2.217 . 0 0 "[ . 1 . 2]" 1
35 1 19 TYR HB3 1 20 LYS H . . 4.650 4.221 4.126 4.337 . 0 0 "[ . 1 . 2]" 1
36 1 20 LYS H 1 20 LYS HB2 . . 3.730 2.270 2.211 2.333 . 0 0 "[ . 1 . 2]" 1
37 1 20 LYS H 1 20 LYS HB3 . . 3.910 3.511 3.480 3.549 . 0 0 "[ . 1 . 2]" 1
38 1 41 GLN HG2 1 48 ILE H . . 3.730 2.936 2.615 3.204 . 0 0 "[ . 1 . 2]" 1
39 1 22 PRO HB2 1 23 ASP H . . 4.620 3.858 3.772 3.950 . 0 0 "[ . 1 . 2]" 1
40 1 23 ASP H 1 60 ARG H . . 5.230 3.328 3.121 3.524 . 0 0 "[ . 1 . 2]" 1
41 1 23 ASP H 1 24 GLY H . . 4.750 2.730 2.674 2.768 . 0 0 "[ . 1 . 2]" 1
42 1 23 ASP H 1 59 GLU HA . . 3.820 2.589 2.451 2.699 . 0 0 "[ . 1 . 2]" 1
43 1 23 ASP H 1 59 GLU QG . . 4.720 3.783 3.586 4.259 . 0 0 "[ . 1 . 2]" 1
44 1 69 GLU HA 1 71 VAL H . . 5.200 4.415 4.243 4.671 . 0 0 "[ . 1 . 2]" 1
45 1 46 CYS HB2 1 71 VAL H . . 5.200 4.410 4.203 4.577 . 0 0 "[ . 1 . 2]" 1
46 1 68 PRO HA 1 71 VAL H . . 4.110 3.192 3.023 3.377 . 0 0 "[ . 1 . 2]" 1
47 1 71 VAL H 1 71 VAL HB . . 3.360 2.315 2.196 2.500 . 0 0 "[ . 1 . 2]" 1
48 1 15 MET H 1 65 THR HA . . 5.500 4.210 3.761 4.643 . 0 0 "[ . 1 . 2]" 1
49 1 15 MET H 1 65 THR MG . . 5.380 4.086 3.726 4.537 . 0 0 "[ . 1 . 2]" 1
50 1 14 VAL MG1 1 15 MET H . . 4.080 1.984 1.923 2.183 . 0 0 "[ . 1 . 2]" 1
51 1 19 TYR H 1 62 CYS H . . 4.250 3.158 2.797 3.540 . 0 0 "[ . 1 . 2]" 1
52 1 62 CYS H 1 63 MET H . . 5.390 4.130 3.986 4.383 . 0 0 "[ . 1 . 2]" 1
53 1 61 SER QB 1 62 CYS H . . 4.290 3.729 3.622 3.848 . 0 0 "[ . 1 . 2]" 1
54 1 19 TYR HB3 1 62 CYS H . . 5.500 3.709 3.550 3.913 . 0 0 "[ . 1 . 2]" 1
55 1 18 GLU HG2 1 62 CYS H . . 5.500 5.075 4.802 5.454 . 0 0 "[ . 1 . 2]" 1
56 1 62 CYS H 1 62 CYS HG . . 4.220 3.069 2.643 4.220 . 0 0 "[ . 1 . 2]" 1
57 1 64 LEU MD2 1 74 ALA H . . 5.370 4.696 4.454 4.887 . 0 0 "[ . 1 . 2]" 1
58 1 44 SER HA 1 74 ALA H . . 4.840 4.713 4.434 4.846 0.006 13 0 "[ . 1 . 2]" 1
59 1 44 SER QB 1 74 ALA H . . 3.790 2.384 2.182 2.489 . 0 0 "[ . 1 . 2]" 1
60 1 73 SER HB2 1 74 ALA H . . 3.870 2.597 2.296 2.982 . 0 0 "[ . 1 . 2]" 1
61 1 73 SER HB3 1 74 ALA H . . 3.830 3.282 2.686 3.701 . 0 0 "[ . 1 . 2]" 1
62 1 60 ARG H 1 60 ARG HB2 . . 3.860 2.880 2.806 3.044 . 0 0 "[ . 1 . 2]" 1
63 1 60 ARG H 1 60 ARG HB3 . . 3.930 2.303 2.240 2.348 . 0 0 "[ . 1 . 2]" 1
64 1 60 ARG H 1 60 ARG HG2 . . 4.220 4.456 4.300 4.565 0.345 19 0 "[ . 1 . 2]" 1
65 1 44 SER HG 1 46 CYS H . . 3.900 2.687 2.071 3.655 . 0 0 "[ . 1 . 2]" 1
66 1 41 GLN HA 1 46 CYS H . . 3.780 2.981 2.741 3.145 . 0 0 "[ . 1 . 2]" 1
67 1 46 CYS H 1 46 CYS HB3 . . 3.790 3.028 2.843 3.142 . 0 0 "[ . 1 . 2]" 1
68 1 39 ARG H 1 40 ILE H . . 4.080 2.733 2.614 2.829 . 0 0 "[ . 1 . 2]" 1
69 1 38 SER HB3 1 39 ARG H . . 3.770 2.478 2.256 2.714 . 0 0 "[ . 1 . 2]" 1
70 1 39 ARG H 1 39 ARG HB2 . . 3.320 2.031 2.022 2.043 . 0 0 "[ . 1 . 2]" 1
71 1 39 ARG H 1 39 ARG HB3 . . 3.320 3.158 3.099 3.247 . 0 0 "[ . 1 . 2]" 1
72 1 39 ARG H 1 39 ARG HG3 . . 4.500 3.803 3.597 3.978 . 0 0 "[ . 1 . 2]" 1
73 1 37 ILE MG 1 39 ARG H . . 5.500 4.420 4.275 4.590 . 0 0 "[ . 1 . 2]" 1
74 1 63 MET H 1 63 MET QG . . 3.960 2.479 2.234 2.738 . 0 0 "[ . 1 . 2]" 1
75 1 63 MET H 1 63 MET HB2 . . 3.760 2.335 2.203 2.444 . 0 0 "[ . 1 . 2]" 1
76 1 49 GLN HB3 1 63 MET H . . 4.200 3.865 3.104 4.448 0.248 20 0 "[ . 1 . 2]" 1
77 1 63 MET H 1 63 MET HB3 . . 4.150 3.531 3.478 3.572 . 0 0 "[ . 1 . 2]" 1
78 1 39 ARG HB3 1 41 GLN H . . 5.500 5.162 5.101 5.264 . 0 0 "[ . 1 . 2]" 1
79 1 41 GLN H 1 41 GLN HG3 . . 3.860 2.635 2.432 2.787 . 0 0 "[ . 1 . 2]" 1
80 1 40 ILE MD 1 41 GLN H . . 4.760 4.522 4.451 4.591 . 0 0 "[ . 1 . 2]" 1
81 1 37 ILE QG 1 41 GLN H . . 5.500 3.823 3.454 4.963 . 0 0 "[ . 1 . 2]" 1
82 1 37 ILE MG 1 41 GLN H . . 5.500 4.509 4.348 4.690 . 0 0 "[ . 1 . 2]" 1
83 1 60 ARG HG3 1 61 SER H . . 3.770 2.822 2.433 3.319 . 0 0 "[ . 1 . 2]" 1
84 1 20 LYS HD3 1 61 SER H . . 4.000 3.983 3.862 4.130 0.130 20 0 "[ . 1 . 2]" 1
85 1 27 GLY H 1 28 PHE H . . 4.430 2.850 2.808 2.883 . 0 0 "[ . 1 . 2]" 1
86 1 28 PHE H 1 28 PHE QD . . 5.260 3.944 3.910 3.975 . 0 0 "[ . 1 . 2]" 1
87 1 25 MET HA 1 28 PHE H . . 4.700 3.267 3.193 3.336 . 0 0 "[ . 1 . 2]" 1
88 1 26 VAL HA 1 28 PHE H . . 4.000 3.910 3.840 4.018 0.018 20 0 "[ . 1 . 2]" 1
89 1 28 PHE H 1 28 PHE HB2 . . 3.390 2.957 2.912 2.990 . 0 0 "[ . 1 . 2]" 1
90 1 28 PHE H 1 28 PHE HB3 . . 3.400 2.050 2.008 2.069 . 0 0 "[ . 1 . 2]" 1
91 1 28 PHE H 1 29 ILE HB . . 4.890 4.372 4.323 4.530 . 0 0 "[ . 1 . 2]" 1
92 1 26 VAL MG1 1 28 PHE H . . 4.920 4.058 4.031 4.087 . 0 0 "[ . 1 . 2]" 1
93 1 60 ARG H 1 61 SER H . . 5.500 4.483 4.388 4.580 . 0 0 "[ . 1 . 2]" 1
94 1 54 SER HA 1 61 SER H . . 4.560 4.471 4.098 4.579 0.019 19 0 "[ . 1 . 2]" 1
95 1 77 LEU HB2 1 78 LEU H . . 4.030 2.741 2.546 3.030 . 0 0 "[ . 1 . 2]" 1
96 1 78 LEU H 1 78 LEU HB2 . . 3.530 2.407 2.333 2.486 . 0 0 "[ . 1 . 2]" 1
97 1 78 LEU H 1 78 LEU HG . . 3.480 2.276 2.107 2.508 . 0 0 "[ . 1 . 2]" 1
98 1 77 LEU HB3 1 78 LEU H . . 4.580 3.518 3.196 3.898 . 0 0 "[ . 1 . 2]" 1
99 1 78 LEU H 1 78 LEU MD2 . . 4.520 3.320 3.095 3.580 . 0 0 "[ . 1 . 2]" 1
100 1 40 ILE MG 1 78 LEU H . . 4.590 3.093 2.851 3.353 . 0 0 "[ . 1 . 2]" 1
101 1 56 GLY H 1 57 LEU H . . 4.490 2.223 1.900 3.100 . 0 0 "[ . 1 . 2]" 1
102 1 55 GLY QA 1 57 LEU H . . 4.330 3.703 3.205 4.346 0.016 9 0 "[ . 1 . 2]" 1
103 1 57 LEU H 1 57 LEU QB . . 3.440 2.158 2.055 2.321 . 0 0 "[ . 1 . 2]" 1
104 1 57 LEU H 1 57 LEU MD2 . . 4.300 2.634 1.971 4.252 . 0 0 "[ . 1 . 2]" 1
105 1 57 LEU H 1 57 LEU MD1 . . 4.160 3.848 2.482 4.327 0.167 4 0 "[ . 1 . 2]" 1
106 1 26 VAL H 1 27 GLY H . . 4.840 2.987 2.945 3.033 . 0 0 "[ . 1 . 2]" 1
107 1 81 ILE MG 1 82 VAL H . . 4.080 2.931 2.702 3.115 . 0 0 "[ . 1 . 2]" 1
108 1 31 GLY HA3 1 37 ILE H . . 4.630 3.952 3.808 4.125 . 0 0 "[ . 1 . 2]" 1
109 1 36 GLN H 1 37 ILE H . . 3.670 2.623 2.422 2.903 . 0 0 "[ . 1 . 2]" 1
110 1 29 ILE MG 1 37 ILE H . . 4.840 4.336 4.151 4.549 . 0 0 "[ . 1 . 2]" 1
111 1 81 ILE H 1 83 GLU H . . 5.270 4.489 4.146 4.727 . 0 0 "[ . 1 . 2]" 1
112 1 81 ILE H 1 82 VAL H . . 3.860 3.049 2.828 3.169 . 0 0 "[ . 1 . 2]" 1
113 1 80 GLN HB2 1 81 ILE H . . 4.100 2.894 2.670 3.181 . 0 0 "[ . 1 . 2]" 1
114 1 80 GLN HB3 1 81 ILE H . . 3.750 2.596 2.298 3.117 . 0 0 "[ . 1 . 2]" 1
115 1 69 GLU HB3 1 70 SER H . . 4.040 3.596 3.117 4.117 0.077 6 0 "[ . 1 . 2]" 1
116 1 69 GLU H 1 70 SER H . . 4.230 2.524 2.398 2.649 . 0 0 "[ . 1 . 2]" 1
117 1 68 PRO HA 1 70 SER H . . 4.110 3.855 3.608 4.122 0.012 6 0 "[ . 1 . 2]" 1
118 1 70 SER H 1 70 SER HB2 . . 3.980 2.366 2.220 3.549 . 0 0 "[ . 1 . 2]" 1
119 1 69 GLU HG2 1 70 SER H . . 5.500 5.127 3.120 5.491 . 0 0 "[ . 1 . 2]" 1
120 1 70 SER H 1 71 VAL MG2 . . 5.340 3.893 3.622 4.166 . 0 0 "[ . 1 . 2]" 1
121 1 68 PRO HG2 1 70 SER H . . 5.470 5.202 5.044 5.508 0.038 4 0 "[ . 1 . 2]" 1
122 1 42 GLN H 1 43 GLU H . . 3.790 2.335 2.275 2.407 . 0 0 "[ . 1 . 2]" 1
123 1 40 ILE HA 1 42 GLN H . . 5.450 4.239 4.133 4.350 . 0 0 "[ . 1 . 2]" 1
124 1 42 GLN H 1 42 GLN HG2 . . 3.850 2.952 2.624 3.210 . 0 0 "[ . 1 . 2]" 1
125 1 38 SER HA 1 42 GLN H . . 4.000 4.017 4.006 4.049 0.049 4 0 "[ . 1 . 2]" 1
126 1 39 ARG HA 1 42 GLN H . . 3.580 3.352 3.257 3.435 . 0 0 "[ . 1 . 2]" 1
127 1 42 GLN H 1 42 GLN HG3 . . 3.480 3.234 3.019 3.470 . 0 0 "[ . 1 . 2]" 1
128 1 42 GLN H 1 42 GLN QB . . 3.010 2.280 2.202 2.336 . 0 0 "[ . 1 . 2]" 1
129 1 86 ARG H 1 86 ARG QB . . 3.570 2.355 2.048 2.950 . 0 0 "[ . 1 . 2]" 1
130 1 86 ARG H 1 86 ARG HG2 . . 3.870 3.731 2.646 4.271 0.401 20 0 "[ . 1 . 2]" 1
131 1 85 GLY H 1 86 ARG H . . 3.930 3.140 2.628 3.535 . 0 0 "[ . 1 . 2]" 1
132 1 83 GLU HA 1 86 ARG H . . 4.360 4.003 3.158 4.360 0.000 20 0 "[ . 1 . 2]" 1
133 1 86 ARG H 1 86 ARG HG3 . . 4.280 3.956 2.857 4.283 0.003 19 0 "[ . 1 . 2]" 1
134 1 31 GLY HA3 1 36 GLN H . . 3.970 2.038 1.944 2.277 . 0 0 "[ . 1 . 2]" 1
135 1 35 GLU H 1 36 GLN H . . 3.640 2.222 2.151 2.326 . 0 0 "[ . 1 . 2]" 1
136 1 35 GLU HA 1 36 GLN H . . 3.560 3.526 3.458 3.567 0.007 20 0 "[ . 1 . 2]" 1
137 1 35 GLU QG 1 36 GLN H . . 4.390 3.133 2.067 4.190 . 0 0 "[ . 1 . 2]" 1
138 1 36 GLN H 1 36 GLN HB2 . . 3.710 2.577 2.453 2.698 . 0 0 "[ . 1 . 2]" 1
139 1 36 GLN H 1 37 ILE MG . . 5.500 3.905 3.698 4.156 . 0 0 "[ . 1 . 2]" 1
140 1 78 LEU HG 1 79 ASP H . . 4.360 4.328 4.206 4.366 0.006 19 0 "[ . 1 . 2]" 1
141 1 74 ALA HA 1 77 LEU H . . 4.000 3.291 3.177 3.376 . 0 0 "[ . 1 . 2]" 1
142 1 77 LEU H 1 79 ASP H . . 5.440 4.570 3.914 4.873 . 0 0 "[ . 1 . 2]" 1
143 1 77 LEU H 1 78 LEU H . . 4.000 2.692 2.458 2.871 . 0 0 "[ . 1 . 2]" 1
144 1 77 LEU H 1 77 LEU HB2 . . 2.870 2.270 2.122 2.413 . 0 0 "[ . 1 . 2]" 1
145 1 77 LEU H 1 78 LEU HG . . 5.350 4.435 4.178 4.645 . 0 0 "[ . 1 . 2]" 1
146 1 77 LEU H 1 77 LEU MD1 . . 3.940 3.339 2.996 3.668 . 0 0 "[ . 1 . 2]" 1
147 1 35 GLU H 1 35 GLU HB2 . . 3.840 3.180 2.442 3.643 . 0 0 "[ . 1 . 2]" 1
148 1 14 VAL H 1 15 MET H . . 5.200 4.478 4.389 4.620 . 0 0 "[ . 1 . 2]" 1
149 1 13 SER QB 1 14 VAL H . . 3.790 2.521 2.013 3.400 . 0 0 "[ . 1 . 2]" 1
150 1 14 VAL H 1 14 VAL HB . . 3.030 2.594 2.407 2.775 . 0 0 "[ . 1 . 2]" 1
151 1 14 VAL H 1 14 VAL MG2 . . 3.390 2.703 2.215 2.954 . 0 0 "[ . 1 . 2]" 1
152 1 83 GLU QG 1 84 LYS H . . 4.800 4.048 3.432 4.425 . 0 0 "[ . 1 . 2]" 1
153 1 83 GLU HB3 1 84 LYS H . . 3.270 2.467 2.254 2.793 . 0 0 "[ . 1 . 2]" 1
154 1 84 LYS H 1 84 LYS QB . . 3.270 2.046 1.983 2.332 . 0 0 "[ . 1 . 2]" 1
155 1 84 LYS H 1 84 LYS QD . . 4.640 4.255 2.935 4.591 . 0 0 "[ . 1 . 2]" 1
156 1 84 LYS H 1 84 LYS HG2 . . 4.260 3.744 2.566 4.497 0.237 8 0 "[ . 1 . 2]" 1
157 1 84 LYS H 1 84 LYS HG3 . . 4.490 3.672 2.899 4.255 . 0 0 "[ . 1 . 2]" 1
158 1 28 PHE QD 1 29 ILE H . . 5.500 4.091 4.002 4.139 . 0 0 "[ . 1 . 2]" 1
159 1 29 ILE H 1 29 ILE HG13 . . 3.230 2.238 2.105 2.306 . 0 0 "[ . 1 . 2]" 1
160 1 29 ILE H 1 29 ILE HG12 . . 4.070 3.127 2.918 3.258 . 0 0 "[ . 1 . 2]" 1
161 1 29 ILE H 1 81 ILE MG . . 3.950 3.849 3.742 3.962 0.012 16 0 "[ . 1 . 2]" 1
162 1 29 ILE H 1 29 ILE MG . . 3.650 3.698 3.691 3.711 0.061 20 0 "[ . 1 . 2]" 1
163 1 64 LEU H 1 65 THR H . . 5.370 4.567 4.540 4.586 . 0 0 "[ . 1 . 2]" 1
164 1 65 THR H 1 71 VAL MG1 . . 5.500 5.301 4.964 5.499 . 0 0 "[ . 1 . 2]" 1
165 1 64 LEU HA 1 65 THR H . . 3.080 2.318 2.283 2.353 . 0 0 "[ . 1 . 2]" 1
166 1 47 LYS HB2 1 65 THR H . . 3.930 3.807 3.634 4.082 0.152 2 0 "[ . 1 . 2]" 1
167 1 64 LEU HB3 1 65 THR H . . 4.310 2.858 2.754 2.954 . 0 0 "[ . 1 . 2]" 1
168 1 65 THR H 1 65 THR MG . . 4.640 3.958 3.936 3.973 . 0 0 "[ . 1 . 2]" 1
169 1 64 LEU MD2 1 65 THR H . . 4.580 3.980 3.733 4.262 . 0 0 "[ . 1 . 2]" 1
170 1 64 LEU HB2 1 65 THR H . . 4.450 3.898 3.764 3.997 . 0 0 "[ . 1 . 2]" 1
171 1 65 THR H 1 71 VAL MG2 . . 4.410 3.987 3.730 4.315 . 0 0 "[ . 1 . 2]" 1
172 1 82 VAL HB 1 83 GLU H . . 3.450 2.375 2.254 2.710 . 0 0 "[ . 1 . 2]" 1
173 1 83 GLU H 1 83 GLU HB2 . . 3.230 2.180 2.034 2.382 . 0 0 "[ . 1 . 2]" 1
174 1 82 VAL MG2 1 83 GLU H . . 4.710 3.789 3.695 3.944 . 0 0 "[ . 1 . 2]" 1
175 1 80 GLN HA 1 83 GLU H . . 3.550 3.472 3.333 3.554 0.004 15 0 "[ . 1 . 2]" 1
176 1 82 VAL MG1 1 83 GLU H . . 4.450 3.209 2.895 3.470 . 0 0 "[ . 1 . 2]" 1
177 1 38 SER H 1 38 SER HB2 . . 3.260 2.211 2.063 2.381 . 0 0 "[ . 1 . 2]" 1
178 1 37 ILE HB 1 38 SER H . . 4.270 3.898 3.775 4.068 . 0 0 "[ . 1 . 2]" 1
179 1 36 GLN HA 1 40 ILE H . . 5.040 5.034 4.961 5.065 0.025 16 0 "[ . 1 . 2]" 1
180 1 37 ILE HA 1 40 ILE H . . 4.170 3.135 2.997 3.252 . 0 0 "[ . 1 . 2]" 1
181 1 39 ARG HB2 1 40 ILE H . . 3.910 3.407 3.200 3.507 . 0 0 "[ . 1 . 2]" 1
182 1 39 ARG HB3 1 40 ILE H . . 3.910 3.036 2.919 3.168 . 0 0 "[ . 1 . 2]" 1
183 1 40 ILE H 1 40 ILE HB . . 3.370 2.492 2.456 2.538 . 0 0 "[ . 1 . 2]" 1
184 1 40 ILE H 1 40 ILE MG . . 4.180 3.728 3.713 3.742 . 0 0 "[ . 1 . 2]" 1
185 1 40 ILE H 1 40 ILE MD . . 4.300 3.419 3.360 3.485 . 0 0 "[ . 1 . 2]" 1
186 1 41 GLN H 1 43 GLU H . . 4.290 3.867 3.742 3.982 . 0 0 "[ . 1 . 2]" 1
187 1 43 GLU H 1 44 SER HG . . 5.490 4.588 4.186 5.320 . 0 0 "[ . 1 . 2]" 1
188 1 42 GLN QB 1 43 GLU H . . 3.610 2.852 2.718 3.032 . 0 0 "[ . 1 . 2]" 1
189 1 39 ARG HA 1 43 GLU H . . 4.530 3.775 3.631 3.956 . 0 0 "[ . 1 . 2]" 1
190 1 43 GLU H 1 43 GLU HB3 . . 3.530 3.435 3.365 3.460 . 0 0 "[ . 1 . 2]" 1
191 1 43 GLU H 1 43 GLU HB2 . . 3.670 2.136 2.074 2.166 . 0 0 "[ . 1 . 2]" 1
192 1 70 SER HA 1 72 GLN H . . 4.790 4.378 4.176 4.603 . 0 0 "[ . 1 . 2]" 1
193 1 78 LEU HA 1 80 GLN H . . 5.080 4.448 3.869 4.760 . 0 0 "[ . 1 . 2]" 1
194 1 79 ASP HB3 1 80 GLN H . . 3.750 2.495 2.272 2.988 . 0 0 "[ . 1 . 2]" 1
195 1 80 GLN H 1 80 GLN HB3 . . 3.460 3.342 3.197 3.455 . 0 0 "[ . 1 . 2]" 1
196 1 79 ASP H 1 80 GLN H . . 4.000 2.929 2.608 3.032 . 0 0 "[ . 1 . 2]" 1
197 1 80 GLN H 1 80 GLN HG3 . . 4.260 3.746 3.129 4.213 . 0 0 "[ . 1 . 2]" 1
198 1 76 ARG H 1 77 LEU H . . 3.810 2.865 2.715 2.950 . 0 0 "[ . 1 . 2]" 1
199 1 73 SER HA 1 76 ARG H . . 3.610 3.601 3.533 3.622 0.012 16 0 "[ . 1 . 2]" 1
200 1 72 GLN HA 1 76 ARG H . . 4.770 4.072 3.910 4.167 . 0 0 "[ . 1 . 2]" 1
201 1 74 ALA HA 1 76 ARG H . . 5.220 4.505 4.208 4.703 . 0 0 "[ . 1 . 2]" 1
202 1 76 ARG H 1 76 ARG HG2 . . 3.530 2.438 2.061 3.107 . 0 0 "[ . 1 . 2]" 1
203 1 75 LYS HB2 1 76 ARG H . . 3.520 2.732 2.617 2.859 . 0 0 "[ . 1 . 2]" 1
204 1 76 ARG H 1 76 ARG HG3 . . 3.830 3.118 2.847 3.446 . 0 0 "[ . 1 . 2]" 1
205 1 74 ALA H 1 76 ARG H . . 5.500 4.341 4.156 4.546 . 0 0 "[ . 1 . 2]" 1
206 1 68 PRO HD2 1 69 GLU H . . 4.220 2.262 2.253 2.314 . 0 0 "[ . 1 . 2]" 1
207 1 68 PRO HG2 1 69 GLU H . . 4.590 2.850 2.670 3.210 . 0 0 "[ . 1 . 2]" 1
208 1 73 SER HA 1 75 LYS H . . 5.380 4.644 4.450 4.855 . 0 0 "[ . 1 . 2]" 1
209 1 75 LYS H 1 76 ARG QB . . 5.300 4.753 4.550 4.901 . 0 0 "[ . 1 . 2]" 1
210 1 75 LYS H 1 75 LYS HB3 . . 3.460 3.487 3.439 3.501 0.041 3 0 "[ . 1 . 2]" 1
211 1 75 LYS H 1 75 LYS HB2 . . 3.430 2.224 2.136 2.255 . 0 0 "[ . 1 . 2]" 1
212 1 75 LYS H 1 75 LYS HG3 . . 3.500 2.644 2.541 2.819 . 0 0 "[ . 1 . 2]" 1
213 1 75 LYS H 1 75 LYS HG2 . . 3.940 3.871 3.588 3.957 0.017 6 0 "[ . 1 . 2]" 1
214 1 71 VAL HA 1 75 LYS H . . 4.700 3.997 3.827 4.132 . 0 0 "[ . 1 . 2]" 1
215 1 75 LYS H 1 78 LEU MD1 . . 5.500 4.239 3.900 4.638 . 0 0 "[ . 1 . 2]" 1
216 1 24 GLY H 1 25 MET H . . 4.370 2.622 2.541 2.678 . 0 0 "[ . 1 . 2]" 1
217 1 25 MET H 1 25 MET HB2 . . 3.650 2.560 2.468 2.665 . 0 0 "[ . 1 . 2]" 1
218 1 25 MET H 1 25 MET HG2 . . 4.230 3.027 2.865 3.287 . 0 0 "[ . 1 . 2]" 1
219 1 22 PRO HB3 1 25 MET H . . 5.000 4.768 4.601 5.002 0.002 7 0 "[ . 1 . 2]" 1
220 1 22 PRO HB2 1 25 MET H . . 4.530 3.154 2.973 3.390 . 0 0 "[ . 1 . 2]" 1
221 1 58 PRO HD3 1 59 GLU H . . 4.300 3.664 3.655 3.741 . 0 0 "[ . 1 . 2]" 1
222 1 58 PRO QG 1 59 GLU H . . 3.570 3.039 2.919 3.480 . 0 0 "[ . 1 . 2]" 1
223 1 59 GLU H 1 59 GLU QG . . 3.490 3.346 3.148 3.487 . 0 0 "[ . 1 . 2]" 1
224 1 59 GLU H 1 59 GLU HB2 . . 3.610 2.586 2.312 2.778 . 0 0 "[ . 1 . 2]" 1
225 1 57 LEU QB 1 59 GLU H . . 3.520 2.406 2.120 2.524 . 0 0 "[ . 1 . 2]" 1
226 1 57 LEU HA 1 59 GLU H . . 5.340 4.093 3.858 4.207 . 0 0 "[ . 1 . 2]" 1
227 1 15 MET HA 1 66 GLY H . . 5.040 4.829 4.626 5.042 0.002 19 0 "[ . 1 . 2]" 1
228 1 16 THR HA 1 66 GLY H . . 4.480 4.233 3.916 4.536 0.056 17 0 "[ . 1 . 2]" 1
229 1 14 VAL HA 1 66 GLY H . . 5.180 3.948 3.416 4.310 . 0 0 "[ . 1 . 2]" 1
230 1 65 THR HB 1 66 GLY H . . 5.140 4.273 4.161 4.352 . 0 0 "[ . 1 . 2]" 1
231 1 14 VAL HB 1 66 GLY H . . 4.730 4.718 4.618 4.788 0.058 17 0 "[ . 1 . 2]" 1
232 1 21 VAL H 1 60 ARG H . . 4.500 2.823 2.680 3.146 . 0 0 "[ . 1 . 2]" 1
233 1 21 VAL H 1 59 GLU HB3 . . 4.710 2.725 2.344 3.273 . 0 0 "[ . 1 . 2]" 1
234 1 20 LYS HB2 1 21 VAL H . . 4.710 4.278 3.987 4.427 . 0 0 "[ . 1 . 2]" 1
235 1 73 SER H 1 73 SER HB2 . . 3.340 2.392 2.056 2.774 . 0 0 "[ . 1 . 2]" 1
236 1 73 SER H 1 73 SER HB3 . . 3.560 3.479 3.350 3.555 . 0 0 "[ . 1 . 2]" 1
237 1 16 THR H 1 17 GLU H . . 5.090 4.435 4.286 4.539 . 0 0 "[ . 1 . 2]" 1
238 1 15 MET H 1 16 THR H . . 4.920 4.471 4.430 4.520 . 0 0 "[ . 1 . 2]" 1
239 1 15 MET HA 1 16 THR H . . 3.110 2.489 2.440 2.524 . 0 0 "[ . 1 . 2]" 1
240 1 15 MET ME 1 16 THR H . . 3.420 3.155 2.768 3.388 . 0 0 "[ . 1 . 2]" 1
241 1 15 MET HB2 1 16 THR H . . 3.440 2.498 2.428 2.611 . 0 0 "[ . 1 . 2]" 1
242 1 16 THR H 1 16 THR MG . . 4.470 3.814 3.772 3.885 . 0 0 "[ . 1 . 2]" 1
243 1 30 ILE H 1 31 GLY H . . 3.770 2.921 2.829 3.084 . 0 0 "[ . 1 . 2]" 1
244 1 26 VAL HA 1 30 ILE H . . 5.160 4.139 3.978 4.366 . 0 0 "[ . 1 . 2]" 1
245 1 29 ILE HB 1 30 ILE H . . 3.260 2.838 2.628 3.102 . 0 0 "[ . 1 . 2]" 1
246 1 30 ILE H 1 30 ILE HB . . 3.380 2.604 2.452 2.673 . 0 0 "[ . 1 . 2]" 1
247 1 30 ILE H 1 30 ILE HG13 . . 3.600 2.003 1.935 2.124 . 0 0 "[ . 1 . 2]" 1
248 1 26 VAL MG2 1 30 ILE H . . 4.450 4.048 3.702 4.411 . 0 0 "[ . 1 . 2]" 1
249 1 30 ILE H 1 30 ILE MD . . 3.990 2.402 1.981 3.617 . 0 0 "[ . 1 . 2]" 1
250 1 29 ILE MG 1 30 ILE H . . 3.860 3.577 3.408 3.875 0.015 20 0 "[ . 1 . 2]" 1
251 1 52 PRO HD2 1 53 ASP H . . 4.400 2.534 2.253 3.005 . 0 0 "[ . 1 . 2]" 1
252 1 52 PRO QG 1 53 ASP H . . 4.210 2.537 2.172 3.188 . 0 0 "[ . 1 . 2]" 1
253 1 55 GLY H 1 56 GLY H . . 5.360 3.169 2.045 4.349 . 0 0 "[ . 1 . 2]" 1
254 1 53 ASP QB 1 55 GLY H . . 5.460 2.816 2.145 4.102 . 0 0 "[ . 1 . 2]" 1
255 1 67 THR H 1 70 SER H . . 5.280 4.321 3.840 4.507 . 0 0 "[ . 1 . 2]" 1
256 1 66 GLY HA3 1 67 THR H . . 3.220 2.433 2.295 2.515 . 0 0 "[ . 1 . 2]" 1
257 1 66 GLY HA2 1 67 THR H . . 3.220 2.829 2.731 3.023 . 0 0 "[ . 1 . 2]" 1
258 1 67 THR H 1 70 SER HB2 . . 3.920 3.056 2.844 4.015 0.095 6 0 "[ . 1 . 2]" 1
259 1 67 THR H 1 70 SER HB3 . . 4.310 4.260 3.677 4.343 0.033 5 0 "[ . 1 . 2]" 1
260 1 14 VAL MG1 1 67 THR H . . 4.670 4.110 3.831 4.373 . 0 0 "[ . 1 . 2]" 1
261 1 67 THR H 1 71 VAL MG2 . . 4.670 4.198 3.701 4.466 . 0 0 "[ . 1 . 2]" 1
262 1 14 VAL HA 1 67 THR H . . 4.820 4.629 4.062 4.823 0.003 9 0 "[ . 1 . 2]" 1
263 1 43 GLU H 1 45 GLY H . . 4.970 3.484 3.358 3.584 . 0 0 "[ . 1 . 2]" 1
264 1 44 SER HG 1 45 GLY H . . 4.370 3.275 2.477 3.848 . 0 0 "[ . 1 . 2]" 1
265 1 44 SER QB 1 45 GLY H . . 4.170 3.771 3.621 3.836 . 0 0 "[ . 1 . 2]" 1
266 1 29 ILE HA 1 36 GLN HE21 . . 5.470 3.886 3.631 4.236 . 0 0 "[ . 1 . 2]" 1
267 1 43 GLU H 1 44 SER H . . 4.040 2.746 2.496 2.923 . 0 0 "[ . 1 . 2]" 1
268 1 44 SER H 1 44 SER HG . . 3.600 2.305 1.942 3.082 . 0 0 "[ . 1 . 2]" 1
269 1 44 SER H 1 45 GLY HA2 . . 4.570 4.488 4.386 4.542 . 0 0 "[ . 1 . 2]" 1
270 1 43 GLU HG3 1 44 SER H . . 5.180 4.982 4.839 5.142 . 0 0 "[ . 1 . 2]" 1
271 1 43 GLU HB2 1 44 SER H . . 4.100 2.730 2.628 2.926 . 0 0 "[ . 1 . 2]" 1
272 1 84 LYS QB 1 85 GLY H . . 4.110 2.902 2.431 3.168 . 0 0 "[ . 1 . 2]" 1
273 1 33 GLY QA 1 34 GLY H . . 3.590 2.868 2.732 2.990 . 0 0 "[ . 1 . 2]" 1
274 1 26 VAL MG2 1 27 GLY H . . 4.690 3.793 3.526 3.943 . 0 0 "[ . 1 . 2]" 1
275 1 31 GLY H 1 36 GLN HB2 . . 4.940 4.373 4.162 4.924 . 0 0 "[ . 1 . 2]" 1
276 1 30 ILE HB 1 31 GLY H . . 3.720 2.262 2.065 2.378 . 0 0 "[ . 1 . 2]" 1
277 1 30 ILE HG13 1 31 GLY H . . 4.640 4.276 4.012 4.413 . 0 0 "[ . 1 . 2]" 1
278 1 30 ILE MG 1 31 GLY H . . 4.310 3.352 2.949 3.491 . 0 0 "[ . 1 . 2]" 1
279 1 30 ILE MD 1 31 GLY H . . 5.120 3.416 3.090 4.311 . 0 0 "[ . 1 . 2]" 1
280 1 23 ASP QB 1 24 GLY H . . 4.460 3.071 2.805 3.633 . 0 0 "[ . 1 . 2]" 1
281 1 49 GLN H 1 63 MET H . . 4.070 3.457 3.227 3.719 . 0 0 "[ . 1 . 2]" 1
282 1 47 LYS H 1 65 THR MG . . 5.500 4.875 4.704 5.285 . 0 0 "[ . 1 . 2]" 1
283 1 47 LYS H 1 64 LEU HA . . 5.500 4.601 4.459 4.792 . 0 0 "[ . 1 . 2]" 1
284 1 47 LYS H 1 65 THR HA . . 5.500 4.871 4.766 5.171 . 0 0 "[ . 1 . 2]" 1
285 1 47 LYS H 1 65 THR H . . 4.160 2.825 2.732 3.055 . 0 0 "[ . 1 . 2]" 1
286 1 44 SER H 1 45 GLY H . . 3.420 2.275 2.227 2.334 . 0 0 "[ . 1 . 2]" 1
287 1 45 GLY H 1 46 CYS H . . 3.460 2.643 2.505 2.891 . 0 0 "[ . 1 . 2]" 1
288 1 45 GLY H 1 46 CYS HB2 . . 5.500 4.688 4.596 4.970 . 0 0 "[ . 1 . 2]" 1
289 1 44 SER H 1 46 CYS H . . 4.450 3.655 3.544 3.799 . 0 0 "[ . 1 . 2]" 1
290 1 39 ARG HG2 1 43 GLU H . . 5.500 5.258 4.828 5.505 0.005 4 0 "[ . 1 . 2]" 1
291 1 40 ILE H 1 41 GLN H . . 3.770 2.465 2.372 2.613 . 0 0 "[ . 1 . 2]" 1
292 1 38 SER H 1 40 ILE H . . 5.500 4.099 3.985 4.290 . 0 0 "[ . 1 . 2]" 1
293 1 30 ILE HB 1 34 GLY H . . 5.500 4.457 4.188 4.908 . 0 0 "[ . 1 . 2]" 1
294 1 28 PHE H 1 29 ILE HG12 . . 5.410 4.778 4.616 4.946 . 0 0 "[ . 1 . 2]" 1
295 1 28 PHE H 1 29 ILE H . . 3.510 2.215 2.185 2.295 . 0 0 "[ . 1 . 2]" 1
296 1 24 GLY HA2 1 26 VAL H . . 5.310 4.959 4.829 5.066 . 0 0 "[ . 1 . 2]" 1
297 1 24 GLY HA3 1 26 VAL H . . 5.210 5.187 5.051 5.318 0.108 3 0 "[ . 1 . 2]" 1
298 1 26 VAL H 1 28 PHE H . . 4.170 4.136 4.097 4.188 0.018 3 0 "[ . 1 . 2]" 1
299 1 25 MET H 1 26 VAL H . . 3.560 1.901 1.874 1.962 . 0 0 "[ . 1 . 2]" 1
300 1 19 TYR H 1 20 LYS H . . 5.500 4.416 4.300 4.497 . 0 0 "[ . 1 . 2]" 1
301 1 26 VAL MG1 1 60 ARG H . . 5.500 4.231 3.878 4.532 . 0 0 "[ . 1 . 2]" 1
302 1 20 LYS HB3 1 60 ARG H . . 5.500 4.753 4.525 4.916 . 0 0 "[ . 1 . 2]" 1
303 1 59 GLU H 1 60 ARG H . . 5.500 4.419 4.254 4.548 . 0 0 "[ . 1 . 2]" 1
304 1 20 LYS HG3 1 62 CYS H . . 5.500 5.237 4.874 6.334 0.834 20 1 "[ . 1 . +]" 1
305 1 21 VAL MG2 1 62 CYS H . . 5.500 4.108 3.659 4.467 . 0 0 "[ . 1 . 2]" 1
306 1 63 MET H 1 64 LEU H . . 4.450 4.478 4.443 4.527 0.077 14 0 "[ . 1 . 2]" 1
307 1 50 ILE HG12 1 63 MET H . . 5.500 4.705 4.527 4.903 . 0 0 "[ . 1 . 2]" 1
308 1 70 SER H 1 71 VAL H . . 3.360 2.332 2.215 2.526 . 0 0 "[ . 1 . 2]" 1
309 1 78 LEU H 1 79 ASP H . . 3.810 2.911 2.534 3.069 . 0 0 "[ . 1 . 2]" 1
310 1 19 TYR QE 1 79 ASP H . . 5.500 3.312 2.896 3.850 . 0 0 "[ . 1 . 2]" 1
311 1 78 LEU MD1 1 79 ASP H . . 5.500 4.216 4.053 4.547 . 0 0 "[ . 1 . 2]" 1
312 1 78 LEU MD2 1 79 ASP H . . 5.500 4.580 4.508 4.754 . 0 0 "[ . 1 . 2]" 1
313 1 37 ILE MD 1 41 GLN HE22 . . 5.500 4.651 2.544 5.455 . 0 0 "[ . 1 . 2]" 1
314 1 37 ILE MG 1 41 GLN HE21 . . 5.500 2.546 1.931 4.595 . 0 0 "[ . 1 . 2]" 1
315 1 70 SER HB2 1 71 VAL H . . 4.230 2.858 2.703 3.567 . 0 0 "[ . 1 . 2]" 1
316 1 75 LYS H 1 76 ARG H . . 3.830 2.939 2.773 3.041 . 0 0 "[ . 1 . 2]" 1
317 1 48 ILE MG 1 50 ILE H . . 5.390 3.568 3.452 3.799 . 0 0 "[ . 1 . 2]" 1
318 1 49 GLN HG2 1 50 ILE H . . 5.500 4.302 3.873 5.131 . 0 0 "[ . 1 . 2]" 1
319 1 49 GLN HB3 1 50 ILE H . . 5.500 3.955 3.770 4.099 . 0 0 "[ . 1 . 2]" 1
320 1 49 GLN H 1 50 ILE H . . 5.500 4.188 4.093 4.274 . 0 0 "[ . 1 . 2]" 1
321 1 49 GLN H 1 63 MET QG . . 5.500 5.051 4.847 5.265 . 0 0 "[ . 1 . 2]" 1
322 1 44 SER QB 1 46 CYS H . . 4.140 3.618 3.398 3.857 . 0 0 "[ . 1 . 2]" 1
323 1 43 GLU HG2 1 44 SER H . . 5.500 4.792 4.731 4.903 . 0 0 "[ . 1 . 2]" 1
324 1 41 GLN H 1 42 GLN H . . 2.490 2.536 2.517 2.558 0.068 13 0 "[ . 1 . 2]" 1
325 1 40 ILE H 1 42 GLN H . . 4.080 3.867 3.795 3.958 . 0 0 "[ . 1 . 2]" 1
326 1 35 GLU QG 1 39 ARG H . . 5.500 4.340 3.331 5.377 . 0 0 "[ . 1 . 2]" 1
327 1 38 SER H 1 39 ARG H . . 3.540 2.943 2.763 3.060 . 0 0 "[ . 1 . 2]" 1
328 1 37 ILE H 1 38 SER H . . 3.390 2.428 2.313 2.614 . 0 0 "[ . 1 . 2]" 1
329 1 38 SER H 1 41 GLN H . . 4.920 4.552 4.489 4.671 . 0 0 "[ . 1 . 2]" 1
330 1 37 ILE MD 1 38 SER H . . 5.500 4.661 3.606 5.019 . 0 0 "[ . 1 . 2]" 1
331 1 36 GLN H 1 36 GLN HB3 . . 4.000 2.399 2.315 2.504 . 0 0 "[ . 1 . 2]" 1
332 1 36 GLN HE22 1 81 ILE MD . . 5.500 3.577 3.254 3.948 . 0 0 "[ . 1 . 2]" 1
333 1 36 GLN HE21 1 40 ILE MD . . 5.470 3.639 3.414 3.879 . 0 0 "[ . 1 . 2]" 1
334 1 26 VAL HA 1 29 ILE H . . 4.150 2.831 2.767 2.907 . 0 0 "[ . 1 . 2]" 1
335 1 31 GLY H 1 34 GLY H . . 4.510 4.338 3.868 4.517 0.007 9 0 "[ . 1 . 2]" 1
336 1 29 ILE H 1 30 ILE H . . 2.740 2.607 2.539 2.677 . 0 0 "[ . 1 . 2]" 1
337 1 72 GLN QG 1 73 SER H . . 5.500 4.340 4.140 4.470 . 0 0 "[ . 1 . 2]" 1
338 1 73 SER H 1 74 ALA MB . . 5.500 4.440 4.327 4.533 . 0 0 "[ . 1 . 2]" 1
339 1 29 ILE H 1 29 ILE HB . . 3.030 2.367 2.337 2.438 . 0 0 "[ . 1 . 2]" 1
340 1 25 MET H 1 26 VAL HA . . 5.500 4.495 4.463 4.545 . 0 0 "[ . 1 . 2]" 1
341 1 24 GLY H 1 26 VAL H . . 5.500 4.114 4.000 4.204 . 0 0 "[ . 1 . 2]" 1
342 1 19 TYR QD 1 21 VAL H . . 5.500 5.208 4.928 5.472 . 0 0 "[ . 1 . 2]" 1
343 1 20 LYS H 1 21 VAL H . . 5.500 4.553 4.515 4.604 . 0 0 "[ . 1 . 2]" 1
344 1 21 VAL H 1 62 CYS H . . 5.090 4.803 4.309 5.095 0.005 3 0 "[ . 1 . 2]" 1
345 1 18 GLU HG2 1 20 LYS H . . 5.500 4.619 4.337 4.973 . 0 0 "[ . 1 . 2]" 1
346 1 19 TYR H 1 64 LEU H . . 4.960 4.094 3.812 4.319 . 0 0 "[ . 1 . 2]" 1
347 1 17 GLU H 1 18 GLU H . . 5.380 4.437 4.267 4.508 . 0 0 "[ . 1 . 2]" 1
348 1 16 THR MG 1 18 GLU H . . 5.500 4.878 4.406 5.397 . 0 0 "[ . 1 . 2]" 1
349 1 14 VAL MG1 1 16 THR H . . 5.460 4.930 4.788 5.119 . 0 0 "[ . 1 . 2]" 1
350 1 16 THR H 1 17 GLU QB . . 5.500 5.010 4.867 5.262 . 0 0 "[ . 1 . 2]" 1
351 1 51 ALA H 1 61 SER H . . 5.480 4.957 4.677 5.110 . 0 0 "[ . 1 . 2]" 1
352 1 51 ALA H 1 63 MET H . . 5.500 4.725 4.499 4.919 . 0 0 "[ . 1 . 2]" 1
353 1 50 ILE MD 1 51 ALA H . . 5.500 5.110 4.896 5.259 . 0 0 "[ . 1 . 2]" 1
354 1 56 GLY H 1 57 LEU QB . . 5.500 3.851 3.287 5.104 . 0 0 "[ . 1 . 2]" 1
355 1 57 LEU H 1 59 GLU H . . 5.310 5.190 4.676 5.314 0.004 15 0 "[ . 1 . 2]" 1
356 1 23 ASP H 1 59 GLU H . . 5.500 4.918 4.578 5.081 . 0 0 "[ . 1 . 2]" 1
357 1 50 ILE MG 1 61 SER H . . 5.500 4.812 4.455 5.108 . 0 0 "[ . 1 . 2]" 1
358 1 61 SER QB 1 63 MET H . . 5.500 5.178 4.826 5.509 0.009 15 0 "[ . 1 . 2]" 1
359 1 64 LEU H 1 71 VAL MG1 . . 5.080 4.741 4.482 5.024 . 0 0 "[ . 1 . 2]" 1
360 1 15 MET HG2 1 66 GLY H . . 5.500 4.745 4.199 5.301 . 0 0 "[ . 1 . 2]" 1
361 1 15 MET HG3 1 66 GLY H . . 5.500 3.409 2.796 3.773 . 0 0 "[ . 1 . 2]" 1
362 1 15 MET ME 1 66 GLY H . . 5.500 4.631 3.163 5.564 0.064 17 0 "[ . 1 . 2]" 1
363 1 66 GLY H 1 67 THR H . . 4.720 4.413 4.351 4.444 . 0 0 "[ . 1 . 2]" 1
364 1 69 GLU H 1 69 GLU HB3 . . 3.610 3.235 2.612 3.452 . 0 0 "[ . 1 . 2]" 1
365 1 69 GLU H 1 69 GLU HB2 . . 3.650 2.160 2.034 3.548 . 0 0 "[ . 1 . 2]" 1
366 1 68 PRO HB2 1 69 GLU H . . 4.460 3.310 3.142 3.607 . 0 0 "[ . 1 . 2]" 1
367 1 71 VAL H 1 72 GLN H . . 3.330 2.706 2.625 2.825 . 0 0 "[ . 1 . 2]" 1
368 1 67 THR H 1 71 VAL H . . 5.010 4.912 4.225 5.017 0.007 11 0 "[ . 1 . 2]" 1
369 1 69 GLU H 1 71 VAL H . . 5.500 4.103 3.901 4.305 . 0 0 "[ . 1 . 2]" 1
370 1 71 VAL H 1 74 ALA MB . . 5.500 4.692 4.550 4.881 . 0 0 "[ . 1 . 2]" 1
371 1 72 GLN H 1 74 ALA H . . 5.160 4.252 4.112 4.420 . 0 0 "[ . 1 . 2]" 1
372 1 71 VAL H 1 73 SER H . . 4.890 4.314 4.191 4.516 . 0 0 "[ . 1 . 2]" 1
373 1 73 SER H 1 74 ALA H . . 3.590 2.938 2.804 3.034 . 0 0 "[ . 1 . 2]" 1
374 1 74 ALA H 1 75 LYS H . . 3.680 2.776 2.580 2.948 . 0 0 "[ . 1 . 2]" 1
375 1 75 LYS H 1 75 LYS QE . . 5.500 4.401 3.360 5.083 . 0 0 "[ . 1 . 2]" 1
376 1 76 ARG H 1 78 LEU H . . 5.440 4.244 3.846 4.505 . 0 0 "[ . 1 . 2]" 1
377 1 75 LYS HG2 1 76 ARG H . . 5.200 5.103 5.005 5.193 . 0 0 "[ . 1 . 2]" 1
378 1 79 ASP H 1 80 GLN HB2 . . 5.500 4.661 4.336 4.751 . 0 0 "[ . 1 . 2]" 1
379 1 80 GLN H 1 82 VAL H . . 5.500 4.517 4.080 4.740 . 0 0 "[ . 1 . 2]" 1
380 1 78 LEU H 1 80 GLN H . . 5.500 4.059 3.693 4.346 . 0 0 "[ . 1 . 2]" 1
381 1 80 GLN HG2 1 81 ILE H . . 5.500 4.844 4.749 5.210 . 0 0 "[ . 1 . 2]" 1
382 1 81 ILE MD 1 82 VAL H . . 5.190 4.416 4.228 4.621 . 0 0 "[ . 1 . 2]" 1
383 1 82 VAL H 1 83 GLU H . . 3.800 2.929 2.679 3.078 . 0 0 "[ . 1 . 2]" 1
384 1 82 VAL H 1 84 LYS H . . 5.360 4.362 4.009 4.746 . 0 0 "[ . 1 . 2]" 1
385 1 84 LYS H 1 85 GLY H . . 3.490 2.789 2.602 2.977 . 0 0 "[ . 1 . 2]" 1
386 1 83 GLU H 1 84 LYS H . . 3.470 2.894 2.787 2.962 . 0 0 "[ . 1 . 2]" 1
387 1 84 LYS H 1 85 GLY HA2 . . 5.390 5.351 5.212 5.483 0.093 4 0 "[ . 1 . 2]" 1
388 1 81 ILE MG 1 84 LYS H . . 5.500 4.878 4.752 5.035 . 0 0 "[ . 1 . 2]" 1
389 1 81 ILE HA 1 85 GLY H . . 5.310 4.096 3.583 4.453 . 0 0 "[ . 1 . 2]" 1
390 1 86 ARG H 1 87 SER H . . 4.350 3.064 1.917 4.382 0.032 13 0 "[ . 1 . 2]" 1
391 1 15 MET H 1 66 GLY HA3 . . 5.500 4.780 4.486 5.072 . 0 0 "[ . 1 . 2]" 1
392 1 17 GLU H 1 17 GLU HG3 . . 4.340 4.363 4.154 4.952 0.612 20 1 "[ . 1 . +]" 1
393 1 17 GLU H 1 63 MET HA . . 5.500 4.384 4.170 4.660 . 0 0 "[ . 1 . 2]" 1
394 1 27 GLY QA 1 30 ILE HB . . 4.260 4.050 3.816 4.148 . 0 0 "[ . 1 . 2]" 1
395 1 27 GLY QA 1 30 ILE HG12 . . 4.300 4.380 4.321 4.836 0.536 13 1 "[ . 1 + . 2]" 1
396 1 48 ILE H 1 48 ILE MD . . 4.480 3.867 3.744 3.967 . 0 0 "[ . 1 . 2]" 1
397 1 41 GLN H 1 48 ILE MD . . 4.600 3.469 3.272 3.674 . 0 0 "[ . 1 . 2]" 1
398 1 41 GLN HA 1 48 ILE MD . . 4.070 2.511 2.334 2.903 . 0 0 "[ . 1 . 2]" 1
399 1 41 GLN HG3 1 48 ILE MD . . 3.800 1.991 1.894 2.143 . 0 0 "[ . 1 . 2]" 1
400 1 46 CYS HB3 1 48 ILE MD . . 3.770 3.637 3.339 3.766 . 0 0 "[ . 1 . 2]" 1
401 1 48 ILE MD 1 78 LEU HG . . 3.150 3.110 2.913 3.155 0.005 16 0 "[ . 1 . 2]" 1
402 1 48 ILE MD 1 74 ALA MB . . 2.840 2.431 2.181 2.562 . 0 0 "[ . 1 . 2]" 1
403 1 37 ILE MG 1 48 ILE MD . . 4.310 4.289 4.166 4.317 0.007 6 0 "[ . 1 . 2]" 1
404 1 29 ILE H 1 29 ILE MD . . 4.270 3.774 3.607 3.840 . 0 0 "[ . 1 . 2]" 1
405 1 25 MET HB3 1 29 ILE MD . . 4.060 3.180 2.971 3.355 . 0 0 "[ . 1 . 2]" 1
406 1 29 ILE HB 1 29 ILE MD . . 2.970 2.499 2.406 2.569 . 0 0 "[ . 1 . 2]" 1
407 1 29 ILE MD 1 82 VAL MG2 . . 3.260 2.424 2.035 2.798 . 0 0 "[ . 1 . 2]" 1
408 1 25 MET ME 1 85 GLY HA2 . . 4.310 3.444 3.244 4.018 . 0 0 "[ . 1 . 2]" 1
409 1 29 ILE HA 1 81 ILE MD . . 3.620 2.253 2.013 2.526 . 0 0 "[ . 1 . 2]" 1
410 1 30 ILE MG 1 34 GLY HA2 . . 3.480 1.896 1.778 2.101 . 0 0 "[ . 1 . 2]" 1
411 1 81 ILE H 1 81 ILE MD . . 4.460 3.394 3.131 3.633 . 0 0 "[ . 1 . 2]" 1
412 1 37 ILE H 1 37 ILE MD . . 4.400 4.032 3.858 4.251 . 0 0 "[ . 1 . 2]" 1
413 1 37 ILE HA 1 37 ILE MD . . 3.320 2.327 1.991 3.077 . 0 0 "[ . 1 . 2]" 1
414 1 27 GLY QA 1 30 ILE MD . . 3.440 1.966 1.769 3.330 . 0 0 "[ . 1 . 2]" 1
415 1 37 ILE MD 1 41 GLN HG3 . . 5.500 3.484 1.878 4.327 . 0 0 "[ . 1 . 2]" 1
416 1 81 ILE HB 1 81 ILE MD . . 3.020 2.271 2.172 2.370 . 0 0 "[ . 1 . 2]" 1
417 1 40 ILE HA 1 40 ILE MD . . 4.150 3.881 3.841 3.911 . 0 0 "[ . 1 . 2]" 1
418 1 36 GLN HG3 1 40 ILE MD . . 3.660 2.734 2.635 2.915 . 0 0 "[ . 1 . 2]" 1
419 1 40 ILE MD 1 78 LEU HG . . 3.990 3.592 3.423 3.773 . 0 0 "[ . 1 . 2]" 1
420 1 40 ILE MD 1 78 LEU MD1 . . 5.500 4.163 4.078 4.261 . 0 0 "[ . 1 . 2]" 1
421 1 14 VAL MG1 1 66 GLY HA3 . . 3.830 3.272 3.108 3.486 . 0 0 "[ . 1 . 2]" 1
422 1 66 GLY HA3 1 71 VAL MG2 . . 3.860 3.747 3.596 3.847 . 0 0 "[ . 1 . 2]" 1
423 1 14 VAL MG1 1 66 GLY HA2 . . 3.760 1.981 1.868 2.212 . 0 0 "[ . 1 . 2]" 1
424 1 30 ILE HB 1 30 ILE MD . . 3.170 2.105 1.971 2.437 . 0 0 "[ . 1 . 2]" 1
425 1 37 ILE HB 1 50 ILE MD . . 4.220 3.690 3.382 3.909 . 0 0 "[ . 1 . 2]" 1
426 1 29 ILE HB 1 50 ILE MD . . 4.080 3.642 3.524 3.798 . 0 0 "[ . 1 . 2]" 1
427 1 50 ILE HB 1 50 ILE MD . . 3.290 2.346 2.302 2.430 . 0 0 "[ . 1 . 2]" 1
428 1 37 ILE QG 1 50 ILE MD . . 3.660 2.603 1.943 2.976 . 0 0 "[ . 1 . 2]" 1
429 1 31 GLY HA2 1 36 GLN H . . 4.060 3.734 3.569 3.950 . 0 0 "[ . 1 . 2]" 1
430 1 31 GLY HA2 1 36 GLN HB2 . . 4.050 2.930 2.573 3.311 . 0 0 "[ . 1 . 2]" 1
431 1 31 GLY HA2 1 36 GLN HB3 . . 4.070 3.094 2.810 3.355 . 0 0 "[ . 1 . 2]" 1
432 1 53 ASP QB 1 54 SER H . . 4.640 3.452 2.624 3.949 . 0 0 "[ . 1 . 2]" 1
433 1 52 PRO QG 1 53 ASP QB . . 4.610 3.574 3.355 4.153 . 0 0 "[ . 1 . 2]" 1
434 1 86 ARG HA 1 86 ARG QD . . 4.620 3.225 2.624 4.023 . 0 0 "[ . 1 . 2]" 1
435 1 83 GLU HA 1 86 ARG QD . . 4.320 3.886 2.977 4.320 0.000 7 0 "[ . 1 . 2]" 1
436 1 86 ARG QB 1 86 ARG QD . . 3.190 2.079 1.981 2.226 . 0 0 "[ . 1 . 2]" 1
437 1 82 VAL MG1 1 86 ARG QD . . 4.240 3.460 2.403 4.127 . 0 0 "[ . 1 . 2]" 1
438 1 76 ARG HA 1 76 ARG QD . . 3.000 2.745 2.068 3.001 0.001 5 0 "[ . 1 . 2]" 1
439 1 76 ARG QB 1 76 ARG QD . . 3.090 2.144 1.965 2.434 . 0 0 "[ . 1 . 2]" 1
440 1 76 ARG H 1 76 ARG QD . . 4.980 4.071 3.488 4.449 . 0 0 "[ . 1 . 2]" 1
441 1 76 ARG QD 1 76 ARG HG2 . . 2.710 2.264 2.184 2.366 . 0 0 "[ . 1 . 2]" 1
442 1 76 ARG QD 1 76 ARG HG3 . . 2.400 2.489 2.382 2.570 0.170 2 0 "[ . 1 . 2]" 1
443 1 32 ARG HA 1 32 ARG QD . . 3.420 2.979 1.982 3.424 0.004 1 0 "[ . 1 . 2]" 1
444 1 12 ARG QD 1 12 ARG HG2 . . 2.400 2.362 2.187 2.569 0.169 10 0 "[ . 1 . 2]" 1
445 1 12 ARG HA 1 12 ARG QD . . 4.300 3.623 2.200 4.242 . 0 0 "[ . 1 . 2]" 1
446 1 39 ARG HB3 1 39 ARG HD3 . . 3.100 3.391 2.676 3.943 0.843 15 9 "[ ***** *1* + -]" 1
447 1 19 TYR H 1 19 TYR HB2 . . 4.050 2.571 2.473 2.737 . 0 0 "[ . 1 . 2]" 1
448 1 19 TYR HB2 1 64 LEU MD1 . . 3.570 1.899 1.815 2.030 . 0 0 "[ . 1 . 2]" 1
449 1 23 ASP H 1 23 ASP QB . . 3.380 2.140 2.023 2.183 . 0 0 "[ . 1 . 2]" 1
450 1 23 ASP QB 1 59 GLU HA . . 4.110 3.600 3.354 3.800 . 0 0 "[ . 1 . 2]" 1
451 1 23 ASP QB 1 58 PRO HA . . 3.950 3.929 3.795 3.961 0.011 12 0 "[ . 1 . 2]" 1
452 1 64 LEU H 1 64 LEU HB2 . . 3.480 2.517 2.420 2.627 . 0 0 "[ . 1 . 2]" 1
453 1 64 LEU HB2 1 64 LEU MD1 . . 3.210 2.000 1.958 2.139 . 0 0 "[ . 1 . 2]" 1
454 1 64 LEU H 1 64 LEU HB3 . . 3.920 3.646 3.616 3.668 . 0 0 "[ . 1 . 2]" 1
455 1 64 LEU HB3 1 64 LEU MD1 . . 3.080 2.998 2.900 3.052 . 0 0 "[ . 1 . 2]" 1
456 1 64 LEU HB3 1 64 LEU MD2 . . 3.230 2.109 1.990 2.151 . 0 0 "[ . 1 . 2]" 1
457 1 77 LEU HB2 1 77 LEU MD1 . . 3.150 2.143 2.015 2.399 . 0 0 "[ . 1 . 2]" 1
458 1 40 ILE MD 1 77 LEU HB2 . . 3.800 3.804 3.792 3.817 0.017 19 0 "[ . 1 . 2]" 1
459 1 77 LEU H 1 77 LEU HB3 . . 4.120 3.500 3.430 3.529 . 0 0 "[ . 1 . 2]" 1
460 1 74 ALA HA 1 77 LEU HB3 . . 4.240 4.232 4.144 4.258 0.018 5 0 "[ . 1 . 2]" 1
461 1 77 LEU HB3 1 77 LEU MD2 . . 3.060 2.226 2.006 2.422 . 0 0 "[ . 1 . 2]" 1
462 1 40 ILE MD 1 77 LEU HB3 . . 3.770 2.957 2.602 3.180 . 0 0 "[ . 1 . 2]" 1
463 1 84 LYS QE 1 84 LYS HG3 . . 3.910 2.459 2.029 3.385 . 0 0 "[ . 1 . 2]" 1
464 1 84 LYS QE 1 84 LYS HG2 . . 3.540 2.528 1.981 3.319 . 0 0 "[ . 1 . 2]" 1
465 1 47 LYS HB3 1 47 LYS QE . . 4.600 3.752 2.800 4.297 . 0 0 "[ . 1 . 2]" 1
466 1 47 LYS HB2 1 47 LYS QE . . 4.630 3.637 2.207 4.230 . 0 0 "[ . 1 . 2]" 1
467 1 20 LYS QE 1 61 SER QB . . 4.790 3.675 1.969 4.244 . 0 0 "[ . 1 . 2]" 1
468 1 18 GLU HG2 1 20 LYS QE . . 4.330 3.955 3.682 4.151 . 0 0 "[ . 1 . 2]" 1
469 1 20 LYS QE 1 20 LYS HG2 . . 3.410 2.876 2.764 3.015 . 0 0 "[ . 1 . 2]" 1
470 1 78 LEU HB2 1 79 ASP H . . 4.100 2.287 2.147 2.763 . 0 0 "[ . 1 . 2]" 1
471 1 78 LEU H 1 78 LEU HB3 . . 4.050 3.532 3.524 3.547 . 0 0 "[ . 1 . 2]" 1
472 1 78 LEU HB3 1 78 LEU HG . . 3.010 3.030 3.022 3.032 0.022 12 0 "[ . 1 . 2]" 1
473 1 78 LEU HB3 1 78 LEU MD1 . . 3.640 2.409 2.272 2.499 . 0 0 "[ . 1 . 2]" 1
474 1 78 LEU HB3 1 79 ASP H . . 4.250 3.242 3.062 3.824 . 0 0 "[ . 1 . 2]" 1
475 1 75 LYS HB3 1 75 LYS QE . . 3.510 2.840 1.985 3.296 . 0 0 "[ . 1 . 2]" 1
476 1 71 VAL MG1 1 75 LYS QE . . 3.390 2.891 1.770 3.393 0.003 1 0 "[ . 1 . 2]" 1
477 1 19 TYR QD 1 75 LYS QE . . 4.440 2.938 1.940 4.423 . 0 0 "[ . 1 . 2]" 1
478 1 60 ARG HB2 1 60 ARG HD3 . . 3.630 3.063 2.108 3.611 . 0 0 "[ . 1 . 2]" 1
479 1 50 ILE MG 1 60 ARG HD3 . . 4.430 2.910 2.219 3.688 . 0 0 "[ . 1 . 2]" 1
480 1 60 ARG HD3 1 61 SER H . . 4.670 4.440 3.841 4.714 0.044 15 0 "[ . 1 . 2]" 1
481 1 54 SER HA 1 60 ARG HD3 . . 4.040 3.830 2.585 4.541 0.501 16 1 "[ . 1 .+ 2]" 1
482 1 37 ILE MG 1 48 ILE HB . . 5.160 4.398 4.202 4.536 . 0 0 "[ . 1 . 2]" 1
483 1 79 ASP H 1 79 ASP HB2 . . 3.600 2.152 2.029 2.406 . 0 0 "[ . 1 . 2]" 1
484 1 79 ASP HB2 1 80 GLN H . . 3.960 3.455 3.210 3.751 . 0 0 "[ . 1 . 2]" 1
485 1 76 ARG HA 1 79 ASP HB2 . . 3.640 3.318 2.844 3.896 0.256 11 0 "[ . 1 . 2]" 1
486 1 79 ASP H 1 79 ASP HB3 . . 3.990 2.933 2.581 3.200 . 0 0 "[ . 1 . 2]" 1
487 1 76 ARG HA 1 79 ASP HB3 . . 3.970 3.197 2.742 3.598 . 0 0 "[ . 1 . 2]" 1
488 1 16 THR H 1 16 THR HB . . 3.450 2.526 2.428 2.685 . 0 0 "[ . 1 . 2]" 1
489 1 16 THR HB 1 17 GLU H . . 4.360 4.227 3.966 4.363 0.003 18 0 "[ . 1 . 2]" 1
490 1 65 THR H 1 65 THR HB . . 3.480 2.857 2.811 2.900 . 0 0 "[ . 1 . 2]" 1
491 1 47 LYS H 1 65 THR HB . . 4.640 3.989 3.709 4.414 . 0 0 "[ . 1 . 2]" 1
492 1 47 LYS HB2 1 65 THR HB . . 3.150 3.151 3.117 3.159 0.009 6 0 "[ . 1 . 2]" 1
493 1 47 LYS HB3 1 65 THR HB . . 3.150 2.163 2.029 2.307 . 0 0 "[ . 1 . 2]" 1
494 1 47 LYS QD 1 65 THR HB . . 5.020 3.186 2.375 3.808 . 0 0 "[ . 1 . 2]" 1
495 1 28 PHE HB2 1 29 ILE H . . 4.280 4.278 4.237 4.309 0.029 1 0 "[ . 1 . 2]" 1
496 1 28 PHE HB3 1 29 ILE H . . 3.990 3.089 3.014 3.143 . 0 0 "[ . 1 . 2]" 1
497 1 50 ILE H 1 50 ILE HB . . 3.810 2.618 2.555 2.682 . 0 0 "[ . 1 . 2]" 1
498 1 40 ILE HB 1 41 GLN H . . 3.900 2.812 2.745 2.883 . 0 0 "[ . 1 . 2]" 1
499 1 37 ILE HA 1 40 ILE HB . . 3.620 2.768 2.574 3.006 . 0 0 "[ . 1 . 2]" 1
500 1 40 ILE HB 1 40 ILE MD . . 3.010 2.204 2.155 2.273 . 0 0 "[ . 1 . 2]" 1
501 1 81 ILE HB 1 82 VAL H . . 3.810 2.541 2.335 2.761 . 0 0 "[ . 1 . 2]" 1
502 1 81 ILE H 1 81 ILE HB . . 3.180 2.336 2.228 2.459 . 0 0 "[ . 1 . 2]" 1
503 1 78 LEU HA 1 81 ILE HB . . 3.330 3.235 3.051 3.332 0.002 8 0 "[ . 1 . 2]" 1
504 1 29 ILE HB 1 29 ILE HG13 . . 3.020 2.347 2.307 2.423 . 0 0 "[ . 1 . 2]" 1
505 1 19 TYR QD 1 75 LYS HB3 . . 4.600 4.344 3.936 4.586 . 0 0 "[ . 1 . 2]" 1
506 1 19 TYR QD 1 75 LYS QD . . 4.310 3.045 1.951 3.796 . 0 0 "[ . 1 . 2]" 1
507 1 19 TYR QD 1 75 LYS HG2 . . 3.380 2.821 2.655 2.994 . 0 0 "[ . 1 . 2]" 1
508 1 19 TYR QD 1 78 LEU MD1 . . 4.000 2.475 2.039 2.798 . 0 0 "[ . 1 . 2]" 1
509 1 19 TYR QD 1 20 LYS H . . 4.630 3.751 3.466 4.002 . 0 0 "[ . 1 . 2]" 1
510 1 18 GLU HA 1 18 GLU HG2 . . 4.080 3.460 3.303 3.597 . 0 0 "[ . 1 . 2]" 1
511 1 18 GLU H 1 18 GLU HG2 . . 4.410 4.326 4.141 4.422 0.012 13 0 "[ . 1 . 2]" 1
512 1 43 GLU H 1 43 GLU HG2 . . 4.000 2.995 2.823 3.527 . 0 0 "[ . 1 . 2]" 1
513 1 43 GLU H 1 43 GLU HG3 . . 3.940 3.691 3.105 3.889 . 0 0 "[ . 1 . 2]" 1
514 1 43 GLU HA 1 43 GLU HG3 . . 3.780 3.550 3.145 3.603 . 0 0 "[ . 1 . 2]" 1
515 1 43 GLU HB2 1 43 GLU HG3 . . 2.950 2.342 2.294 2.383 . 0 0 "[ . 1 . 2]" 1
516 1 43 GLU HG3 1 77 LEU MD1 . . 4.090 3.155 2.743 3.566 . 0 0 "[ . 1 . 2]" 1
517 1 17 GLU HG3 1 18 GLU H . . 4.050 2.907 2.208 3.996 . 0 0 "[ . 1 . 2]" 1
518 1 59 GLU HA 1 59 GLU QG . . 3.820 2.248 2.155 2.504 . 0 0 "[ . 1 . 2]" 1
519 1 41 GLN HG3 1 48 ILE HB . . 3.830 2.679 2.450 2.836 . 0 0 "[ . 1 . 2]" 1
520 1 40 ILE MG 1 41 GLN HG3 . . 4.460 4.184 3.978 4.355 . 0 0 "[ . 1 . 2]" 1
521 1 41 GLN HG3 1 48 ILE HG13 . . 3.890 3.836 3.767 3.900 0.010 5 0 "[ . 1 . 2]" 1
522 1 41 GLN HG2 1 48 ILE MD . . 4.030 2.231 1.950 2.435 . 0 0 "[ . 1 . 2]" 1
523 1 41 GLN H 1 41 GLN HG2 . . 4.200 3.744 3.533 3.863 . 0 0 "[ . 1 . 2]" 1
524 1 41 GLN HG2 1 48 ILE HG13 . . 3.690 2.800 2.443 3.077 . 0 0 "[ . 1 . 2]" 1
525 1 41 GLN HG2 1 48 ILE HB . . 3.710 2.662 2.381 2.877 . 0 0 "[ . 1 . 2]" 1
526 1 41 GLN HG2 1 48 ILE HG12 . . 4.520 4.147 3.749 4.321 . 0 0 "[ . 1 . 2]" 1
527 1 20 LYS HB3 1 59 GLU QG . . 4.240 3.184 3.070 3.279 . 0 0 "[ . 1 . 2]" 1
528 1 59 GLU HB2 1 59 GLU QG . . 2.670 2.545 2.185 2.572 . 0 0 "[ . 1 . 2]" 1
529 1 26 VAL HA 1 29 ILE HB . . 3.390 2.080 1.998 2.207 . 0 0 "[ . 1 . 2]" 1
530 1 26 VAL HA 1 29 ILE HG13 . . 3.670 2.116 2.015 2.275 . 0 0 "[ . 1 . 2]" 1
531 1 26 VAL HA 1 26 VAL MG2 . . 3.040 2.200 2.034 2.384 . 0 0 "[ . 1 . 2]" 1
532 1 26 VAL HA 1 29 ILE MD . . 3.270 2.463 1.973 2.690 . 0 0 "[ . 1 . 2]" 1
533 1 26 VAL HA 1 29 ILE MG . . 3.590 3.453 3.407 3.556 . 0 0 "[ . 1 . 2]" 1
534 1 83 GLU H 1 83 GLU QG . . 3.930 3.764 3.185 3.920 . 0 0 "[ . 1 . 2]" 1
535 1 15 MET HB3 1 16 THR H . . 3.830 3.782 3.661 3.837 0.007 1 0 "[ . 1 . 2]" 1
536 1 28 PHE HA 1 28 PHE QE . . 4.850 4.816 4.782 4.855 0.005 20 0 "[ . 1 . 2]" 1
537 1 25 MET ME 1 28 PHE QE . . 4.530 2.772 2.679 2.841 . 0 0 "[ . 1 . 2]" 1
538 1 35 GLU H 1 35 GLU QG . . 3.890 3.128 1.975 3.950 0.060 4 0 "[ . 1 . 2]" 1
539 1 35 GLU HA 1 35 GLU QG . . 3.730 2.848 2.310 3.392 . 0 0 "[ . 1 . 2]" 1
540 1 17 GLU H 1 17 GLU QB . . 3.710 2.529 2.402 2.738 . 0 0 "[ . 1 . 2]" 1
541 1 17 GLU QB 1 18 GLU H . . 4.270 3.278 2.471 3.692 . 0 0 "[ . 1 . 2]" 1
542 1 17 GLU QB 1 71 VAL MG1 . . 3.450 2.170 1.946 2.407 . 0 0 "[ . 1 . 2]" 1
543 1 17 GLU QB 1 64 LEU MD1 . . 3.510 2.452 1.942 2.832 . 0 0 "[ . 1 . 2]" 1
544 1 25 MET ME 1 82 VAL HA . . 3.430 1.836 1.779 1.958 . 0 0 "[ . 1 . 2]" 1
545 1 82 VAL HA 1 82 VAL MG2 . . 3.280 2.329 2.213 2.481 . 0 0 "[ . 1 . 2]" 1
546 1 82 VAL HA 1 82 VAL MG1 . . 3.330 2.440 2.385 2.536 . 0 0 "[ . 1 . 2]" 1
547 1 68 PRO HA 1 71 VAL HB . . 3.090 2.680 2.418 3.039 . 0 0 "[ . 1 . 2]" 1
548 1 71 VAL HA 1 74 ALA MB . . 3.430 2.976 2.769 3.159 . 0 0 "[ . 1 . 2]" 1
549 1 71 VAL HA 1 71 VAL MG2 . . 2.920 2.316 2.105 2.415 . 0 0 "[ . 1 . 2]" 1
550 1 64 LEU MD2 1 71 VAL HA . . 3.390 2.937 2.527 3.265 . 0 0 "[ . 1 . 2]" 1
551 1 36 GLN HG2 1 81 ILE MD . . 3.720 2.615 2.294 3.005 . 0 0 "[ . 1 . 2]" 1
552 1 36 GLN HG2 1 40 ILE MD . . 3.730 3.478 3.165 3.735 0.005 3 0 "[ . 1 . 2]" 1
553 1 36 GLN HG3 1 81 ILE MD . . 3.900 2.709 2.318 3.034 . 0 0 "[ . 1 . 2]" 1
554 1 80 GLN H 1 80 GLN HG2 . . 3.820 3.575 3.149 4.197 0.377 13 0 "[ . 1 . 2]" 1
555 1 80 GLN HB2 1 80 GLN HG3 . . 2.570 2.410 2.269 3.042 0.472 17 0 "[ . 1 . 2]" 1
556 1 20 LYS HB2 1 59 GLU HB3 . . 3.940 3.783 3.694 3.911 . 0 0 "[ . 1 . 2]" 1
557 1 49 GLN HA 1 49 GLN HG3 . . 4.280 2.958 2.289 3.578 . 0 0 "[ . 1 . 2]" 1
558 1 42 GLN HA 1 42 GLN HG3 . . 3.720 3.569 3.424 3.708 . 0 0 "[ . 1 . 2]" 1
559 1 25 MET HB3 1 81 ILE MG . . 4.420 2.784 2.449 3.292 . 0 0 "[ . 1 . 2]" 1
560 1 22 PRO HD2 1 25 MET HB2 . . 4.340 2.806 2.588 3.025 . 0 0 "[ . 1 . 2]" 1
561 1 25 MET HB2 1 29 ILE MD . . 4.890 3.256 3.195 3.369 . 0 0 "[ . 1 . 2]" 1
562 1 25 MET HB2 1 82 VAL MG1 . . 4.460 3.517 3.213 4.118 . 0 0 "[ . 1 . 2]" 1
563 1 72 GLN H 1 72 GLN QG . . 3.690 3.203 2.418 3.688 . 0 0 "[ . 1 . 2]" 1
564 1 72 GLN HA 1 72 GLN QG . . 3.560 2.129 1.975 2.420 . 0 0 "[ . 1 . 2]" 1
565 1 14 VAL HB 1 15 MET H . . 4.030 3.940 3.760 4.055 0.025 8 0 "[ . 1 . 2]" 1
566 1 40 ILE HA 1 43 GLU HB3 . . 3.600 3.626 3.613 3.638 0.038 13 0 "[ . 1 . 2]" 1
567 1 40 ILE HA 1 43 GLU HB2 . . 3.140 2.169 2.114 2.317 . 0 0 "[ . 1 . 2]" 1
568 1 40 ILE HA 1 40 ILE HG13 . . 3.210 3.035 2.990 3.099 . 0 0 "[ . 1 . 2]" 1
569 1 40 ILE HA 1 40 ILE MG . . 3.000 2.297 2.229 2.436 . 0 0 "[ . 1 . 2]" 1
570 1 44 SER QB 1 73 SER HB2 . . 2.790 2.331 2.034 2.828 0.038 1 0 "[ . 1 . 2]" 1
571 1 44 SER QB 1 73 SER HB3 . . 3.710 2.432 1.862 3.105 . 0 0 "[ . 1 . 2]" 1
572 1 44 SER QB 1 77 LEU MD1 . . 3.820 2.485 1.969 2.767 . 0 0 "[ . 1 . 2]" 1
573 1 44 SER QB 1 74 ALA HA . . 2.800 2.394 2.035 2.677 . 0 0 "[ . 1 . 2]" 1
574 1 47 LYS HB2 1 65 THR MG . . 4.610 4.255 4.120 4.320 . 0 0 "[ . 1 . 2]" 1
575 1 47 LYS HB3 1 65 THR MG . . 4.310 3.863 3.747 3.992 . 0 0 "[ . 1 . 2]" 1
576 1 47 LYS HB3 1 65 THR H . . 4.400 2.564 2.041 2.939 . 0 0 "[ . 1 . 2]" 1
577 1 59 GLU HB2 1 60 ARG H . . 4.700 4.186 4.075 4.290 . 0 0 "[ . 1 . 2]" 1
578 1 59 GLU HB3 1 60 ARG H . . 4.310 3.116 2.966 3.335 . 0 0 "[ . 1 . 2]" 1
579 1 20 LYS HB3 1 59 GLU HB3 . . 3.590 2.046 1.976 2.161 . 0 0 "[ . 1 . 2]" 1
580 1 30 ILE HA 1 37 ILE H . . 3.990 3.241 3.044 3.421 . 0 0 "[ . 1 . 2]" 1
581 1 30 ILE HA 1 37 ILE HB . . 3.120 2.266 1.991 2.406 . 0 0 "[ . 1 . 2]" 1
582 1 30 ILE HA 1 30 ILE MD . . 3.770 3.779 3.698 3.895 0.125 3 0 "[ . 1 . 2]" 1
583 1 25 MET H 1 25 MET HG3 . . 4.460 4.248 4.131 4.427 . 0 0 "[ . 1 . 2]" 1
584 1 25 MET HG3 1 82 VAL MG1 . . 4.320 2.048 1.977 2.499 . 0 0 "[ . 1 . 2]" 1
585 1 25 MET HG2 1 82 VAL MG1 . . 4.520 3.248 3.142 3.617 . 0 0 "[ . 1 . 2]" 1
586 1 28 PHE QD 1 29 ILE HA . . 4.380 4.208 4.143 4.252 . 0 0 "[ . 1 . 2]" 1
587 1 29 ILE HA 1 29 ILE HG13 . . 3.740 3.208 3.066 3.338 . 0 0 "[ . 1 . 2]" 1
588 1 29 ILE HA 1 29 ILE HG12 . . 3.530 2.347 2.302 2.440 . 0 0 "[ . 1 . 2]" 1
589 1 29 ILE HA 1 81 ILE MG . . 3.620 2.641 2.311 2.946 . 0 0 "[ . 1 . 2]" 1
590 1 29 ILE HA 1 29 ILE MG . . 3.320 2.495 2.428 2.530 . 0 0 "[ . 1 . 2]" 1
591 1 54 SER QB 1 57 LEU H . . 4.740 3.112 2.275 3.602 . 0 0 "[ . 1 . 2]" 1
592 1 54 SER QB 1 60 ARG HA . . 4.350 2.799 1.889 3.472 . 0 0 "[ . 1 . 2]" 1
593 1 81 ILE HA 1 84 LYS H . . 3.620 3.610 3.565 3.634 0.014 14 0 "[ . 1 . 2]" 1
594 1 81 ILE HA 1 84 LYS QB . . 3.460 2.587 2.261 2.842 . 0 0 "[ . 1 . 2]" 1
595 1 81 ILE HA 1 81 ILE HG13 . . 3.660 2.696 2.552 2.867 . 0 0 "[ . 1 . 2]" 1
596 1 81 ILE HA 1 81 ILE MD . . 3.940 3.792 3.744 3.844 . 0 0 "[ . 1 . 2]" 1
597 1 75 LYS HB3 1 76 ARG H . . 4.500 3.250 3.096 3.476 . 0 0 "[ . 1 . 2]" 1
598 1 75 LYS HB2 1 75 LYS QE . . 4.520 2.982 2.225 3.582 . 0 0 "[ . 1 . 2]" 1
599 1 75 LYS HB2 1 76 ARG QB . . 4.990 4.835 4.584 4.997 0.007 14 0 "[ . 1 . 2]" 1
600 1 82 VAL H 1 82 VAL HB . . 3.400 2.458 2.342 2.547 . 0 0 "[ . 1 . 2]" 1
601 1 71 VAL HB 1 72 GLN H . . 3.730 2.661 2.445 2.880 . 0 0 "[ . 1 . 2]" 1
602 1 22 PRO HB2 1 25 MET HG3 . . 3.700 3.584 3.478 3.701 0.001 4 0 "[ . 1 . 2]" 1
603 1 22 PRO HB2 1 25 MET HG2 . . 2.960 2.600 2.422 2.878 . 0 0 "[ . 1 . 2]" 1
604 1 22 PRO HA 1 23 ASP H . . 3.190 2.150 2.149 2.156 . 0 0 "[ . 1 . 2]" 1
605 1 22 PRO HA 1 59 GLU HA . . 3.510 2.777 2.668 2.969 . 0 0 "[ . 1 . 2]" 1
606 1 61 SER H 1 61 SER QB . . 3.100 2.210 2.118 2.273 . 0 0 "[ . 1 . 2]" 1
607 1 18 GLU HG3 1 61 SER QB . . 4.270 4.007 3.568 4.274 0.004 15 0 "[ . 1 . 2]" 1
608 1 51 ALA MB 1 61 SER QB . . 3.820 3.709 3.449 3.891 0.071 19 0 "[ . 1 . 2]" 1
609 1 20 LYS HD3 1 61 SER QB . . 3.500 3.435 2.600 3.528 0.028 19 0 "[ . 1 . 2]" 1
610 1 26 VAL H 1 26 VAL HB . . 3.440 2.154 2.070 2.306 . 0 0 "[ . 1 . 2]" 1
611 1 26 VAL HB 1 27 GLY H . . 3.990 3.669 3.568 3.793 . 0 0 "[ . 1 . 2]" 1
612 1 68 PRO HB3 1 69 GLU H . . 4.130 4.225 4.130 4.391 0.261 4 0 "[ . 1 . 2]" 1
613 1 15 MET H 1 15 MET HG2 . . 3.820 2.844 2.354 3.626 . 0 0 "[ . 1 . 2]" 1
614 1 15 MET HG2 1 68 PRO HA . . 4.520 3.691 3.104 4.315 . 0 0 "[ . 1 . 2]" 1
615 1 15 MET HG2 1 71 VAL MG2 . . 3.910 3.787 3.360 3.936 0.026 4 0 "[ . 1 . 2]" 1
616 1 15 MET H 1 15 MET HG3 . . 3.990 2.162 1.935 2.421 . 0 0 "[ . 1 . 2]" 1
617 1 15 MET HG3 1 71 VAL MG2 . . 3.630 2.968 2.656 3.445 . 0 0 "[ . 1 . 2]" 1
618 1 14 VAL MG1 1 15 MET HG3 . . 3.730 3.678 3.582 3.735 0.005 18 0 "[ . 1 . 2]" 1
619 1 18 GLU HB2 1 19 TYR H . . 4.700 4.489 4.377 4.557 . 0 0 "[ . 1 . 2]" 1
620 1 46 CYS HB2 1 70 SER HB2 . . 4.140 3.348 1.938 3.585 . 0 0 "[ . 1 . 2]" 1
621 1 70 SER HA 1 73 SER HB2 . . 3.670 2.515 2.256 2.989 . 0 0 "[ . 1 . 2]" 1
622 1 83 GLU HA 1 86 ARG QB . . 4.110 2.558 1.989 3.208 . 0 0 "[ . 1 . 2]" 1
623 1 38 SER HB2 1 39 ARG H . . 4.050 3.630 3.356 3.907 . 0 0 "[ . 1 . 2]" 1
624 1 38 SER H 1 38 SER HB3 . . 3.640 2.808 2.604 3.076 . 0 0 "[ . 1 . 2]" 1
625 1 41 GLN H 1 41 GLN QB . . 3.270 2.220 2.165 2.317 . 0 0 "[ . 1 . 2]" 1
626 1 41 GLN QB 1 42 GLN H . . 3.290 2.840 2.760 2.905 . 0 0 "[ . 1 . 2]" 1
627 1 41 GLN QB 1 41 GLN HE22 . . 4.110 3.765 3.372 4.061 . 0 0 "[ . 1 . 2]" 1
628 1 38 SER HA 1 41 GLN QB . . 3.370 2.344 2.218 2.504 . 0 0 "[ . 1 . 2]" 1
629 1 38 SER HA 1 41 GLN HE22 . . 4.530 4.033 3.065 4.745 0.215 19 0 "[ . 1 . 2]" 1
630 1 37 ILE HA 1 40 ILE MD . . 3.350 2.148 1.997 2.453 . 0 0 "[ . 1 . 2]" 1
631 1 46 CYS HB3 1 48 ILE HG12 . . 4.490 4.470 4.367 4.507 0.017 1 0 "[ . 1 . 2]" 1
632 1 46 CYS HB3 1 47 LYS H . . 4.490 3.260 3.165 3.484 . 0 0 "[ . 1 . 2]" 1
633 1 46 CYS HB2 1 47 LYS H . . 4.660 4.185 4.141 4.276 . 0 0 "[ . 1 . 2]" 1
634 1 46 CYS H 1 46 CYS HB2 . . 3.720 2.538 2.428 2.721 . 0 0 "[ . 1 . 2]" 1
635 1 46 CYS HB2 1 70 SER HB3 . . 3.910 2.073 1.991 3.516 . 0 0 "[ . 1 . 2]" 1
636 1 43 GLU HB3 1 44 SER H . . 3.910 3.096 2.942 3.369 . 0 0 "[ . 1 . 2]" 1
637 1 43 GLU HB2 1 77 LEU MD1 . . 3.750 2.274 2.122 2.533 . 0 0 "[ . 1 . 2]" 1
638 1 70 SER HA 1 73 SER H . . 4.170 3.405 3.235 3.648 . 0 0 "[ . 1 . 2]" 1
639 1 41 GLN HA 1 46 CYS HB3 . . 4.300 4.287 4.014 4.321 0.021 16 0 "[ . 1 . 2]" 1
640 1 46 CYS HB3 1 70 SER HB3 . . 4.320 3.681 3.522 5.125 0.805 6 1 "[ .+ 1 . 2]" 1
641 1 44 SER QB 1 46 CYS HB2 . . 4.380 3.143 2.675 3.642 . 0 0 "[ . 1 . 2]" 1
642 1 76 ARG QB 1 77 LEU H . . 3.620 2.533 2.329 2.811 . 0 0 "[ . 1 . 2]" 1
643 1 76 ARG H 1 76 ARG QB . . 3.200 2.362 2.125 2.471 . 0 0 "[ . 1 . 2]" 1
644 1 73 SER HA 1 76 ARG QB . . 3.040 2.965 2.728 3.045 0.005 2 0 "[ . 1 . 2]" 1
645 1 75 LYS H 1 75 LYS QD . . 4.560 3.614 3.166 4.465 . 0 0 "[ . 1 . 2]" 1
646 1 14 VAL HA 1 14 VAL MG1 . . 3.350 2.339 2.191 2.432 . 0 0 "[ . 1 . 2]" 1
647 1 14 VAL HA 1 15 MET H . . 3.010 2.319 2.285 2.347 . 0 0 "[ . 1 . 2]" 1
648 1 39 ARG HB2 1 39 ARG HD3 . . 4.140 2.883 2.017 3.579 . 0 0 "[ . 1 . 2]" 1
649 1 83 GLU HB2 1 84 LYS H . . 3.750 3.495 2.743 3.733 . 0 0 "[ . 1 . 2]" 1
650 1 35 GLU H 1 35 GLU HB3 . . 3.740 2.478 2.339 2.762 . 0 0 "[ . 1 . 2]" 1
651 1 83 GLU H 1 83 GLU HB3 . . 3.420 2.866 2.568 3.309 . 0 0 "[ . 1 . 2]" 1
652 1 50 ILE HA 1 63 MET H . . 3.990 3.637 3.448 3.904 . 0 0 "[ . 1 . 2]" 1
653 1 50 ILE HA 1 50 ILE MG . . 3.340 2.183 2.121 2.277 . 0 0 "[ . 1 . 2]" 1
654 1 50 ILE HA 1 50 ILE MD . . 4.410 3.829 3.764 3.873 . 0 0 "[ . 1 . 2]" 1
655 1 50 ILE HA 1 50 ILE HG13 . . 4.000 3.302 3.238 3.357 . 0 0 "[ . 1 . 2]" 1
656 1 50 ILE HA 1 50 ILE HG12 . . 3.350 2.632 2.539 2.712 . 0 0 "[ . 1 . 2]" 1
657 1 19 TYR H 1 62 CYS HB2 . . 4.670 3.861 3.477 4.056 . 0 0 "[ . 1 . 2]" 1
658 1 62 CYS HB2 1 63 MET H . . 4.820 4.410 4.291 4.518 . 0 0 "[ . 1 . 2]" 1
659 1 62 CYS H 1 62 CYS HB2 . . 3.810 2.715 2.581 2.788 . 0 0 "[ . 1 . 2]" 1
660 1 19 TYR QD 1 62 CYS HB2 . . 4.360 3.267 3.008 3.493 . 0 0 "[ . 1 . 2]" 1
661 1 19 TYR HB3 1 62 CYS HB2 . . 3.600 2.731 2.452 2.944 . 0 0 "[ . 1 . 2]" 1
662 1 21 VAL MG2 1 62 CYS HB2 . . 3.590 3.436 3.105 3.602 0.012 7 0 "[ . 1 . 2]" 1
663 1 48 ILE MG 1 62 CYS HB2 . . 3.630 3.614 3.409 3.643 0.013 18 0 "[ . 1 . 2]" 1
664 1 62 CYS HB3 1 63 MET H . . 4.220 3.680 3.448 3.848 . 0 0 "[ . 1 . 2]" 1
665 1 19 TYR QD 1 62 CYS HB3 . . 4.770 4.627 4.468 4.772 0.002 12 0 "[ . 1 . 2]" 1
666 1 48 ILE MG 1 62 CYS HB3 . . 3.460 2.372 2.144 2.471 . 0 0 "[ . 1 . 2]" 1
667 1 81 ILE H 1 81 ILE HG12 . . 3.650 3.549 3.294 3.720 0.070 20 0 "[ . 1 . 2]" 1
668 1 81 ILE HA 1 81 ILE HG12 . . 3.630 2.512 2.367 2.679 . 0 0 "[ . 1 . 2]" 1
669 1 81 ILE H 1 81 ILE HG13 . . 4.100 2.209 1.947 2.424 . 0 0 "[ . 1 . 2]" 1
670 1 17 GLU H 1 65 THR HA . . 4.380 4.223 4.069 4.382 0.002 6 0 "[ . 1 . 2]" 1
671 1 65 THR HA 1 66 GLY H . . 2.950 2.165 2.150 2.192 . 0 0 "[ . 1 . 2]" 1
672 1 65 THR HA 1 65 THR MG . . 3.320 2.276 2.189 2.439 . 0 0 "[ . 1 . 2]" 1
673 1 65 THR HA 1 71 VAL MG2 . . 4.110 3.874 3.706 4.042 . 0 0 "[ . 1 . 2]" 1
674 1 14 VAL MG1 1 65 THR HA . . 4.080 3.174 3.035 3.340 . 0 0 "[ . 1 . 2]" 1
675 1 20 LYS HA 1 20 LYS HD3 . . 4.510 3.638 2.356 3.929 . 0 0 "[ . 1 . 2]" 1
676 1 75 LYS HA 1 78 LEU H . . 4.550 3.283 3.061 3.499 . 0 0 "[ . 1 . 2]" 1
677 1 75 LYS HA 1 78 LEU HB2 . . 3.030 2.515 2.344 2.682 . 0 0 "[ . 1 . 2]" 1
678 1 75 LYS HA 1 75 LYS HG3 . . 3.540 2.483 2.331 2.841 . 0 0 "[ . 1 . 2]" 1
679 1 75 LYS HA 1 78 LEU HB3 . . 4.250 4.133 4.002 4.252 0.002 5 0 "[ . 1 . 2]" 1
680 1 75 LYS HA 1 75 LYS HG2 . . 3.360 2.537 2.244 2.710 . 0 0 "[ . 1 . 2]" 1
681 1 75 LYS HA 1 78 LEU MD1 . . 3.800 2.619 2.092 3.022 . 0 0 "[ . 1 . 2]" 1
682 1 80 GLN H 1 80 GLN HB2 . . 3.370 2.081 2.025 2.162 . 0 0 "[ . 1 . 2]" 1
683 1 37 ILE QG 1 37 ILE MG . . 3.120 2.178 2.031 2.541 . 0 0 "[ . 1 . 2]" 1
684 1 30 ILE HA 1 37 ILE QG . . 4.150 3.997 3.433 4.147 . 0 0 "[ . 1 . 2]" 1
685 1 37 ILE H 1 37 ILE QG . . 4.520 4.009 3.929 4.049 . 0 0 "[ . 1 . 2]" 1
686 1 37 ILE HA 1 37 ILE QG . . 3.770 2.560 2.109 2.779 . 0 0 "[ . 1 . 2]" 1
687 1 37 ILE QG 1 48 ILE MG . . 3.550 2.635 2.299 2.943 . 0 0 "[ . 1 . 2]" 1
688 1 16 THR HA 1 17 GLU H . . 2.980 2.209 2.152 2.335 . 0 0 "[ . 1 . 2]" 1
689 1 16 THR HA 1 65 THR HA . . 3.370 2.938 2.689 3.194 . 0 0 "[ . 1 . 2]" 1
690 1 16 THR HA 1 16 THR MG . . 3.430 2.389 2.251 2.489 . 0 0 "[ . 1 . 2]" 1
691 1 69 GLU HB2 1 70 SER H . . 3.830 3.495 3.184 3.843 0.013 6 0 "[ . 1 . 2]" 1
692 1 40 ILE H 1 40 ILE HG13 . . 3.640 1.964 1.934 2.021 . 0 0 "[ . 1 . 2]" 1
693 1 40 ILE HG13 1 40 ILE MG . . 3.240 3.226 3.219 3.237 . 0 0 "[ . 1 . 2]" 1
694 1 40 ILE H 1 40 ILE HG12 . . 3.970 3.310 3.207 3.384 . 0 0 "[ . 1 . 2]" 1
695 1 36 GLN HB2 1 36 GLN HE21 . . 4.690 4.336 4.310 4.358 . 0 0 "[ . 1 . 2]" 1
696 1 36 GLN HB2 1 37 ILE H . . 4.840 4.055 3.934 4.150 . 0 0 "[ . 1 . 2]" 1
697 1 31 GLY HA3 1 36 GLN HB3 . . 3.930 2.248 2.079 2.645 . 0 0 "[ . 1 . 2]" 1
698 1 36 GLN HB3 1 37 ILE H . . 4.260 2.806 2.604 2.930 . 0 0 "[ . 1 . 2]" 1
699 1 30 ILE HA 1 30 ILE HG13 . . 3.850 2.670 2.519 3.276 . 0 0 "[ . 1 . 2]" 1
700 1 40 ILE HA 1 40 ILE HG12 . . 3.350 2.654 2.569 2.721 . 0 0 "[ . 1 . 2]" 1
701 1 39 ARG HB3 1 40 ILE HG12 . . 4.030 3.965 3.798 4.166 0.136 3 0 "[ . 1 . 2]" 1
702 1 40 ILE HG12 1 77 LEU HB3 . . 4.280 2.511 2.248 2.637 . 0 0 "[ . 1 . 2]" 1
703 1 22 PRO QG 1 82 VAL HB . . 3.830 3.834 3.786 3.858 0.028 15 0 "[ . 1 . 2]" 1
704 1 21 VAL HA 1 22 PRO QG . . 4.090 3.992 3.971 4.018 . 0 0 "[ . 1 . 2]" 1
705 1 26 VAL MG2 1 30 ILE HG13 . . 3.630 3.193 2.902 3.551 . 0 0 "[ . 1 . 2]" 1
706 1 30 ILE H 1 30 ILE HG12 . . 4.140 3.390 2.848 3.537 . 0 0 "[ . 1 . 2]" 1
707 1 20 LYS HA 1 61 SER HA . . 3.660 2.497 2.237 2.714 . 0 0 "[ . 1 . 2]" 1
708 1 61 SER HA 1 62 CYS H . . 3.040 2.267 2.217 2.320 . 0 0 "[ . 1 . 2]" 1
709 1 20 LYS HG3 1 61 SER HA . . 4.310 3.947 3.537 4.793 0.483 20 0 "[ . 1 . 2]" 1
710 1 41 GLN HA 1 45 GLY H . . 4.120 3.871 3.692 4.119 . 0 0 "[ . 1 . 2]" 1
711 1 41 GLN HA 1 44 SER H . . 4.760 3.863 3.638 4.056 . 0 0 "[ . 1 . 2]" 1
712 1 41 GLN HA 1 44 SER HG . . 3.520 3.167 2.848 3.525 0.005 5 0 "[ . 1 . 2]" 1
713 1 41 GLN HA 1 41 GLN HG3 . . 3.870 2.817 2.612 2.993 . 0 0 "[ . 1 . 2]" 1
714 1 41 GLN HA 1 41 GLN HG2 . . 3.600 2.375 2.234 2.705 . 0 0 "[ . 1 . 2]" 1
715 1 72 GLN QB 1 73 SER H . . 3.050 2.517 2.233 2.632 . 0 0 "[ . 1 . 2]" 1
716 1 72 GLN H 1 72 GLN QB . . 3.030 2.094 2.001 2.310 . 0 0 "[ . 1 . 2]" 1
717 1 64 LEU H 1 64 LEU HG . . 3.940 2.985 2.693 3.228 . 0 0 "[ . 1 . 2]" 1
718 1 19 TYR HB3 1 64 LEU HG . . 4.150 4.009 3.696 4.139 . 0 0 "[ . 1 . 2]" 1
719 1 69 GLU HA 1 72 GLN H . . 3.870 3.638 3.478 3.719 . 0 0 "[ . 1 . 2]" 1
720 1 69 GLU HA 1 69 GLU HG2 . . 3.890 2.646 1.997 3.838 . 0 0 "[ . 1 . 2]" 1
721 1 69 GLU HA 1 72 GLN QB . . 3.120 3.003 2.766 3.143 0.023 4 0 "[ . 1 . 2]" 1
722 1 69 GLU HA 1 69 GLU HB2 . . 2.940 2.888 2.530 3.002 0.062 15 0 "[ . 1 . 2]" 1
723 1 69 GLU HA 1 69 GLU HG3 . . 3.610 2.766 2.001 3.643 0.033 6 0 "[ . 1 . 2]" 1
724 1 44 SER HA 1 73 SER HB2 . . 3.380 3.548 3.376 3.857 0.477 1 0 "[ . 1 . 2]" 1
725 1 44 SER HA 1 77 LEU MD1 . . 4.030 3.819 3.590 3.952 . 0 0 "[ . 1 . 2]" 1
726 1 44 SER HA 1 73 SER HB3 . . 3.840 3.252 2.834 3.844 0.004 8 0 "[ . 1 . 2]" 1
727 1 39 ARG HA 1 42 GLN HG3 . . 3.920 3.814 3.651 3.921 0.001 2 0 "[ . 1 . 2]" 1
728 1 39 ARG HA 1 42 GLN QB . . 3.070 2.635 2.448 2.777 . 0 0 "[ . 1 . 2]" 1
729 1 39 ARG HA 1 39 ARG HB2 . . 2.990 2.825 2.780 2.891 . 0 0 "[ . 1 . 2]" 1
730 1 39 ARG HA 1 39 ARG HG2 . . 3.960 3.112 2.866 3.301 . 0 0 "[ . 1 . 2]" 1
731 1 50 ILE H 1 50 ILE HG13 . . 4.230 2.185 2.029 2.358 . 0 0 "[ . 1 . 2]" 1
732 1 39 ARG HG3 1 43 GLU HG2 . . 4.430 4.120 3.701 5.352 0.922 19 1 "[ . 1 . +2]" 1
733 1 39 ARG HA 1 39 ARG HG3 . . 3.430 2.027 1.983 2.145 . 0 0 "[ . 1 . 2]" 1
734 1 39 ARG HG3 1 42 GLN QB . . 4.170 3.908 3.654 4.131 . 0 0 "[ . 1 . 2]" 1
735 1 39 ARG HG2 1 43 GLU HG2 . . 4.240 3.593 3.112 4.213 . 0 0 "[ . 1 . 2]" 1
736 1 76 ARG HA 1 76 ARG HG3 . . 3.410 3.635 3.454 3.764 0.354 14 0 "[ . 1 . 2]" 1
737 1 76 ARG HA 1 79 ASP H . . 4.550 3.788 3.355 4.033 . 0 0 "[ . 1 . 2]" 1
738 1 57 LEU QB 1 58 PRO QG . . 5.500 4.021 3.826 4.073 . 0 0 "[ . 1 . 2]" 1
739 1 57 LEU HA 1 58 PRO QG . . 5.500 3.959 3.935 4.039 . 0 0 "[ . 1 . 2]" 1
740 1 57 LEU HA 1 57 LEU HG . . 3.830 3.428 2.133 3.668 . 0 0 "[ . 1 . 2]" 1
741 1 57 LEU HG 1 58 PRO HD2 . . 3.940 3.822 3.256 3.949 0.009 4 0 "[ . 1 . 2]" 1
742 1 83 GLU HA 1 86 ARG HG3 . . 4.000 2.163 2.002 2.588 . 0 0 "[ . 1 . 2]" 1
743 1 86 ARG HA 1 86 ARG HG3 . . 3.500 3.347 2.827 3.511 0.011 8 0 "[ . 1 . 2]" 1
744 1 83 GLU HA 1 83 GLU QG . . 2.840 2.207 2.072 2.381 . 0 0 "[ . 1 . 2]" 1
745 1 83 GLU HA 1 83 GLU HB2 . . 2.720 2.655 2.510 2.926 0.206 5 0 "[ . 1 . 2]" 1
746 1 83 GLU HA 1 86 ARG HG2 . . 4.000 3.513 2.830 4.000 . 0 0 "[ . 1 . 2]" 1
747 1 82 VAL MG1 1 83 GLU HA . . 4.320 3.329 3.184 3.541 . 0 0 "[ . 1 . 2]" 1
748 1 42 GLN HA 1 45 GLY H . . 3.180 3.183 3.174 3.191 0.011 10 0 "[ . 1 . 2]" 1
749 1 42 GLN HA 1 42 GLN HG2 . . 3.340 2.317 2.181 2.555 . 0 0 "[ . 1 . 2]" 1
750 1 43 GLU HA 1 43 GLU HG2 . . 3.170 2.359 2.025 2.475 . 0 0 "[ . 1 . 2]" 1
751 1 43 GLU HA 1 43 GLU HB3 . . 2.950 2.735 2.700 2.787 . 0 0 "[ . 1 . 2]" 1
752 1 72 GLN HA 1 75 LYS H . . 4.240 3.379 3.164 3.576 . 0 0 "[ . 1 . 2]" 1
753 1 72 GLN HA 1 75 LYS QE . . 4.250 3.137 1.782 4.213 . 0 0 "[ . 1 . 2]" 1
754 1 72 GLN HA 1 75 LYS HB2 . . 3.430 2.278 2.099 2.481 . 0 0 "[ . 1 . 2]" 1
755 1 72 GLN HA 1 75 LYS QD . . 3.660 2.640 1.987 3.671 0.011 4 0 "[ . 1 . 2]" 1
756 1 71 VAL MG1 1 72 GLN HA . . 3.950 3.311 3.124 3.587 . 0 0 "[ . 1 . 2]" 1
757 1 77 LEU H 1 77 LEU HG . . 3.670 2.587 2.250 3.041 . 0 0 "[ . 1 . 2]" 1
758 1 40 ILE MG 1 78 LEU HG . . 3.770 2.542 2.344 2.836 . 0 0 "[ . 1 . 2]" 1
759 1 36 GLN HA 1 39 ARG H . . 4.030 3.871 3.738 4.008 . 0 0 "[ . 1 . 2]" 1
760 1 36 GLN HA 1 36 GLN HG2 . . 4.220 3.806 3.749 3.840 . 0 0 "[ . 1 . 2]" 1
761 1 36 GLN HA 1 36 GLN HG3 . . 2.990 2.695 2.583 2.841 . 0 0 "[ . 1 . 2]" 1
762 1 80 GLN HA 1 80 GLN HG2 . . 4.020 2.272 1.992 3.492 . 0 0 "[ . 1 . 2]" 1
763 1 80 GLN HA 1 80 GLN HG3 . . 3.590 3.187 2.153 3.538 . 0 0 "[ . 1 . 2]" 1
764 1 80 GLN HA 1 80 GLN HB3 . . 2.980 2.862 2.796 2.959 . 0 0 "[ . 1 . 2]" 1
765 1 80 GLN HA 1 83 GLU HB3 . . 3.060 2.915 2.466 3.647 0.587 3 3 "[ + * 1 - . 2]" 1
766 1 48 ILE H 1 48 ILE HG13 . . 4.130 3.200 3.161 3.245 . 0 0 "[ . 1 . 2]" 1
767 1 48 ILE HB 1 48 ILE HG12 . . 3.030 3.000 2.985 3.011 . 0 0 "[ . 1 . 2]" 1
768 1 13 SER HA 1 14 VAL H . . 3.220 2.514 2.248 2.721 . 0 0 "[ . 1 . 2]" 1
769 1 13 SER HA 1 14 VAL MG2 . . 4.290 3.284 3.058 3.542 . 0 0 "[ . 1 . 2]" 1
770 1 60 ARG HA 1 60 ARG HG3 . . 4.090 2.889 2.666 3.285 . 0 0 "[ . 1 . 2]" 1
771 1 50 ILE MG 1 60 ARG HG3 . . 3.700 2.553 2.259 2.865 . 0 0 "[ . 1 . 2]" 1
772 1 40 ILE HA 1 77 LEU MD1 . . 3.310 2.271 1.963 2.488 . 0 0 "[ . 1 . 2]" 1
773 1 43 GLU HB3 1 77 LEU MD1 . . 3.140 2.014 1.898 2.275 . 0 0 "[ . 1 . 2]" 1
774 1 77 LEU HB3 1 77 LEU MD1 . . 3.500 2.581 2.254 2.762 . 0 0 "[ . 1 . 2]" 1
775 1 40 ILE HG12 1 77 LEU MD1 . . 4.530 3.372 3.050 3.525 . 0 0 "[ . 1 . 2]" 1
776 1 23 ASP HA 1 60 ARG H . . 4.770 3.763 3.615 3.995 . 0 0 "[ . 1 . 2]" 1
777 1 23 ASP HA 1 60 ARG HB2 . . 3.750 3.401 2.946 3.762 0.012 19 0 "[ . 1 . 2]" 1
778 1 23 ASP HA 1 60 ARG HB3 . . 3.540 3.455 3.258 3.556 0.016 15 0 "[ . 1 . 2]" 1
779 1 23 ASP HA 1 26 VAL MG1 . . 3.410 1.900 1.772 2.012 . 0 0 "[ . 1 . 2]" 1
780 1 84 LYS HA 1 84 LYS HG2 . . 3.570 2.308 1.999 3.506 . 0 0 "[ . 1 . 2]" 1
781 1 84 LYS HA 1 84 LYS HG3 . . 3.750 3.010 2.026 3.532 . 0 0 "[ . 1 . 2]" 1
782 1 78 LEU HA 1 78 LEU HG . . 3.680 3.084 3.015 3.172 . 0 0 "[ . 1 . 2]" 1
783 1 46 CYS HA 1 46 CYS HG . . 4.160 3.669 3.484 3.810 . 0 0 "[ . 1 . 2]" 1
784 1 64 LEU H 1 64 LEU MD2 . . 5.500 4.216 4.055 4.341 . 0 0 "[ . 1 . 2]" 1
785 1 19 TYR QD 1 64 LEU MD2 . . 5.500 4.115 3.899 4.430 . 0 0 "[ . 1 . 2]" 1
786 1 19 TYR HB3 1 64 LEU MD2 . . 4.050 3.909 3.616 4.052 0.002 18 0 "[ . 1 . 2]" 1
787 1 48 ILE HG13 1 64 LEU MD2 . . 3.190 2.459 2.168 2.889 . 0 0 "[ . 1 . 2]" 1
788 1 64 LEU MD2 1 74 ALA MB . . 3.150 2.500 2.362 2.608 . 0 0 "[ . 1 . 2]" 1
789 1 64 LEU MD2 1 78 LEU MD1 . . 3.860 2.304 2.107 2.506 . 0 0 "[ . 1 . 2]" 1
790 1 77 LEU HA 1 80 GLN H . . 4.310 3.677 3.456 3.890 . 0 0 "[ . 1 . 2]" 1
791 1 77 LEU HA 1 80 GLN HB2 . . 3.690 2.425 2.297 2.557 . 0 0 "[ . 1 . 2]" 1
792 1 77 LEU HA 1 80 GLN HB3 . . 3.850 3.616 3.347 3.837 . 0 0 "[ . 1 . 2]" 1
793 1 77 LEU HA 1 77 LEU HG . . 3.300 2.695 2.319 3.109 . 0 0 "[ . 1 . 2]" 1
794 1 64 LEU HA 1 64 LEU MD1 . . 4.080 3.725 3.659 3.847 . 0 0 "[ . 1 . 2]" 1
795 1 64 LEU MD1 1 75 LYS HA . . 5.260 4.419 4.145 4.826 . 0 0 "[ . 1 . 2]" 1
796 1 62 CYS HB2 1 64 LEU MD1 . . 5.070 3.430 3.062 3.879 . 0 0 "[ . 1 . 2]" 1
797 1 19 TYR HB3 1 64 LEU MD1 . . 3.420 2.129 1.955 2.532 . 0 0 "[ . 1 . 2]" 1
798 1 64 LEU MD1 1 78 LEU MD1 . . 4.150 3.398 3.100 3.857 . 0 0 "[ . 1 . 2]" 1
799 1 64 LEU MD1 1 75 LYS H . . 4.930 4.846 4.663 4.937 0.007 16 0 "[ . 1 . 2]" 1
800 1 19 TYR QD 1 64 LEU MD1 . . 4.230 3.283 3.097 3.548 . 0 0 "[ . 1 . 2]" 1
801 1 64 LEU MD1 1 71 VAL HA . . 4.970 4.353 4.066 4.522 . 0 0 "[ . 1 . 2]" 1
802 1 62 CYS HB3 1 64 LEU MD1 . . 5.020 4.077 3.481 4.640 . 0 0 "[ . 1 . 2]" 1
803 1 64 LEU MD1 1 75 LYS HG3 . . 3.200 2.843 2.562 3.050 . 0 0 "[ . 1 . 2]" 1
804 1 78 LEU H 1 78 LEU MD1 . . 4.500 3.624 3.511 3.774 . 0 0 "[ . 1 . 2]" 1
805 1 78 LEU HB2 1 78 LEU MD1 . . 3.170 2.283 2.204 2.404 . 0 0 "[ . 1 . 2]" 1
806 1 74 ALA MB 1 78 LEU MD1 . . 3.990 3.201 2.948 3.562 . 0 0 "[ . 1 . 2]" 1
807 1 21 VAL MG1 1 78 LEU MD1 . . 4.020 3.066 2.603 3.380 . 0 0 "[ . 1 . 2]" 1
808 1 48 ILE HG12 1 78 LEU MD1 . . 3.140 2.714 2.228 3.012 . 0 0 "[ . 1 . 2]" 1
809 1 79 ASP HA 1 82 VAL H . . 4.460 3.554 3.228 3.694 . 0 0 "[ . 1 . 2]" 1
810 1 79 ASP HA 1 83 GLU H . . 4.940 4.085 3.681 4.414 . 0 0 "[ . 1 . 2]" 1
811 1 79 ASP HA 1 82 VAL HB . . 3.450 2.872 2.620 3.160 . 0 0 "[ . 1 . 2]" 1
812 1 79 ASP HA 1 82 VAL MG2 . . 3.920 2.864 2.413 3.114 . 0 0 "[ . 1 . 2]" 1
813 1 79 ASP HA 1 82 VAL MG1 . . 4.450 4.127 3.818 4.391 . 0 0 "[ . 1 . 2]" 1
814 1 57 LEU MD2 1 58 PRO HD3 . . 4.220 3.736 2.867 4.207 . 0 0 "[ . 1 . 2]" 1
815 1 84 LYS QD 1 84 LYS HG2 . . 2.400 2.379 2.186 2.559 0.159 9 0 "[ . 1 . 2]" 1
816 1 84 LYS QD 1 84 LYS HG3 . . 2.530 2.384 2.179 2.535 0.005 17 0 "[ . 1 . 2]" 1
817 1 20 LYS H 1 20 LYS HG2 . . 4.270 3.624 2.827 3.720 . 0 0 "[ . 1 . 2]" 1
818 1 20 LYS H 1 20 LYS HG3 . . 4.450 3.402 3.191 4.036 . 0 0 "[ . 1 . 2]" 1
819 1 20 LYS HA 1 20 LYS HG3 . . 3.890 3.273 3.173 3.602 . 0 0 "[ . 1 . 2]" 1
820 1 86 ARG HA 1 86 ARG HG2 . . 3.440 2.122 2.005 2.223 . 0 0 "[ . 1 . 2]" 1
821 1 47 LYS HG2 1 48 ILE H . . 4.890 2.841 2.171 3.479 . 0 0 "[ . 1 . 2]" 1
822 1 25 MET H 1 26 VAL MG1 . . 4.210 3.314 2.810 3.628 . 0 0 "[ . 1 . 2]" 1
823 1 26 VAL H 1 26 VAL MG1 . . 3.310 2.510 2.198 2.706 . 0 0 "[ . 1 . 2]" 1
824 1 26 VAL HA 1 26 VAL MG1 . . 3.340 3.197 3.171 3.218 . 0 0 "[ . 1 . 2]" 1
825 1 26 VAL MG1 1 60 ARG HB2 . . 3.380 2.798 2.372 3.304 . 0 0 "[ . 1 . 2]" 1
826 1 26 VAL MG1 1 60 ARG HB3 . . 3.240 2.852 2.532 3.209 . 0 0 "[ . 1 . 2]" 1
827 1 62 CYS HA 1 63 MET HB2 . . 4.860 4.534 4.402 4.650 . 0 0 "[ . 1 . 2]" 1
828 1 50 ILE HG12 1 62 CYS HA . . 4.190 3.304 3.219 3.373 . 0 0 "[ . 1 . 2]" 1
829 1 62 CYS HA 1 63 MET H . . 3.060 2.226 2.220 2.242 . 0 0 "[ . 1 . 2]" 1
830 1 51 ALA H 1 62 CYS HA . . 4.130 3.669 3.512 3.819 . 0 0 "[ . 1 . 2]" 1
831 1 50 ILE HA 1 62 CYS HA . . 3.280 2.436 2.339 2.543 . 0 0 "[ . 1 . 2]" 1
832 1 62 CYS HA 1 62 CYS HG . . 4.440 3.422 3.147 4.056 . 0 0 "[ . 1 . 2]" 1
833 1 50 ILE MG 1 62 CYS HA . . 4.220 3.382 3.125 3.717 . 0 0 "[ . 1 . 2]" 1
834 1 47 LYS HA 1 47 LYS HG2 . . 3.960 2.994 2.217 3.476 . 0 0 "[ . 1 . 2]" 1
835 1 47 LYS HA 1 47 LYS HG3 . . 4.260 2.299 2.067 2.911 . 0 0 "[ . 1 . 2]" 1
836 1 47 LYS HA 1 48 ILE H . . 3.040 2.276 2.246 2.292 . 0 0 "[ . 1 . 2]" 1
837 1 41 GLN HG2 1 47 LYS HA . . 4.210 3.038 2.752 3.369 . 0 0 "[ . 1 . 2]" 1
838 1 18 GLU HA 1 19 TYR H . . 3.080 2.231 2.203 2.248 . 0 0 "[ . 1 . 2]" 1
839 1 18 GLU HA 1 64 LEU H . . 4.680 3.868 3.665 4.116 . 0 0 "[ . 1 . 2]" 1
840 1 18 GLU HA 1 18 GLU HG3 . . 3.720 2.505 2.401 2.672 . 0 0 "[ . 1 . 2]" 1
841 1 40 ILE HG13 1 78 LEU MD2 . . 4.080 4.225 4.075 4.401 0.321 1 0 "[ . 1 . 2]" 1
842 1 78 LEU HA 1 78 LEU MD2 . . 3.240 1.978 1.938 2.055 . 0 0 "[ . 1 . 2]" 1
843 1 78 LEU MD2 1 81 ILE HB . . 4.310 4.146 3.893 4.312 0.002 6 0 "[ . 1 . 2]" 1
844 1 77 LEU HB2 1 78 LEU MD2 . . 4.150 4.048 3.763 4.137 . 0 0 "[ . 1 . 2]" 1
845 1 40 ILE HB 1 78 LEU MD2 . . 3.720 3.073 2.839 3.401 . 0 0 "[ . 1 . 2]" 1
846 1 78 LEU HB2 1 78 LEU MD2 . . 3.190 3.207 3.204 3.209 0.019 18 0 "[ . 1 . 2]" 1
847 1 20 LYS HA 1 62 CYS H . . 4.470 3.382 2.905 3.631 . 0 0 "[ . 1 . 2]" 1
848 1 20 LYS HA 1 21 VAL H . . 3.210 2.264 2.202 2.377 . 0 0 "[ . 1 . 2]" 1
849 1 20 LYS HA 1 20 LYS HG2 . . 3.420 2.111 2.044 2.955 . 0 0 "[ . 1 . 2]" 1
850 1 21 VAL HA 1 82 VAL MG2 . . 4.490 3.698 3.414 3.904 . 0 0 "[ . 1 . 2]" 1
851 1 22 PRO HD3 1 82 VAL MG2 . . 4.130 2.394 1.982 2.736 . 0 0 "[ . 1 . 2]" 1
852 1 25 MET HG3 1 82 VAL MG2 . . 4.580 2.554 2.273 2.948 . 0 0 "[ . 1 . 2]" 1
853 1 21 VAL HB 1 82 VAL MG2 . . 3.900 3.231 3.088 3.321 . 0 0 "[ . 1 . 2]" 1
854 1 82 VAL H 1 82 VAL MG2 . . 3.340 2.006 1.920 2.175 . 0 0 "[ . 1 . 2]" 1
855 1 25 MET HB2 1 82 VAL MG2 . . 3.720 2.363 2.126 2.645 . 0 0 "[ . 1 . 2]" 1
856 1 66 GLY H 1 71 VAL MG2 . . 3.610 3.587 3.440 3.648 0.038 6 0 "[ . 1 . 2]" 1
857 1 71 VAL H 1 71 VAL MG2 . . 3.340 2.252 2.003 2.549 . 0 0 "[ . 1 . 2]" 1
858 1 71 VAL MG2 1 72 GLN H . . 4.280 3.971 3.805 4.132 . 0 0 "[ . 1 . 2]" 1
859 1 68 PRO HA 1 71 VAL MG2 . . 3.600 2.783 2.300 3.256 . 0 0 "[ . 1 . 2]" 1
860 1 70 SER HB2 1 71 VAL MG2 . . 4.710 3.442 3.191 3.957 . 0 0 "[ . 1 . 2]" 1
861 1 46 CYS HG 1 71 VAL MG2 . . 3.980 2.097 1.917 2.586 . 0 0 "[ . 1 . 2]" 1
862 1 64 LEU HB3 1 71 VAL MG2 . . 3.450 2.800 2.418 3.210 . 0 0 "[ . 1 . 2]" 1
863 1 17 GLU HA 1 17 GLU HG2 . . 4.090 3.227 2.197 3.826 . 0 0 "[ . 1 . 2]" 1
864 1 77 LEU H 1 77 LEU MD2 . . 4.320 3.815 3.135 4.191 . 0 0 "[ . 1 . 2]" 1
865 1 77 LEU HA 1 77 LEU MD2 . . 3.060 2.284 2.034 2.762 . 0 0 "[ . 1 . 2]" 1
866 1 40 ILE HA 1 77 LEU MD2 . . 4.750 3.617 2.882 4.355 . 0 0 "[ . 1 . 2]" 1
867 1 19 TYR QE 1 75 LYS HA . . 4.530 3.650 3.279 3.951 . 0 0 "[ . 1 . 2]" 1
868 1 19 TYR QE 1 75 LYS HB3 . . 3.950 3.207 2.709 3.586 . 0 0 "[ . 1 . 2]" 1
869 1 19 TYR QE 1 75 LYS QD . . 4.310 3.713 2.301 4.313 0.003 8 0 "[ . 1 . 2]" 1
870 1 19 TYR QE 1 75 LYS QE . . 4.430 3.045 2.182 4.437 0.007 4 0 "[ . 1 . 2]" 1
871 1 19 TYR QE 1 78 LEU HB2 . . 3.870 2.554 2.146 2.959 . 0 0 "[ . 1 . 2]" 1
872 1 19 TYR QE 1 78 LEU HB3 . . 3.860 2.572 2.178 3.005 . 0 0 "[ . 1 . 2]" 1
873 1 19 TYR QE 1 21 VAL MG1 . . 3.610 2.271 1.975 2.572 . 0 0 "[ . 1 . 2]" 1
874 1 19 TYR QE 1 75 LYS HG2 . . 3.700 3.018 2.839 3.300 . 0 0 "[ . 1 . 2]" 1
875 1 19 TYR QE 1 78 LEU MD1 . . 4.520 2.871 2.480 3.254 . 0 0 "[ . 1 . 2]" 1
876 1 67 THR H 1 67 THR MG . . 3.250 2.105 1.884 2.552 . 0 0 "[ . 1 . 2]" 1
877 1 14 VAL HA 1 67 THR MG . . 4.630 4.131 3.751 4.467 . 0 0 "[ . 1 . 2]" 1
878 1 67 THR MG 1 68 PRO HD2 . . 3.800 3.366 3.050 3.690 . 0 0 "[ . 1 . 2]" 1
879 1 14 VAL MG2 1 67 THR MG . . 3.950 3.658 3.087 3.961 0.011 17 0 "[ . 1 . 2]" 1
880 1 57 LEU HA 1 57 LEU MD1 . . 3.240 2.256 1.960 3.381 0.141 15 0 "[ . 1 . 2]" 1
881 1 57 LEU MD1 1 58 PRO HD2 . . 3.500 2.301 1.838 4.282 0.782 15 3 "[ * . 1 + -2]" 1
882 1 25 MET HA 1 25 MET HG2 . . 4.050 3.052 2.936 3.138 . 0 0 "[ . 1 . 2]" 1
883 1 21 VAL H 1 21 VAL MG1 . . 4.160 3.268 3.018 3.600 . 0 0 "[ . 1 . 2]" 1
884 1 21 VAL MG1 1 82 VAL HB . . 5.220 4.916 4.614 5.224 0.004 5 0 "[ . 1 . 2]" 1
885 1 19 TYR QD 1 21 VAL MG1 . . 3.790 2.305 2.003 2.511 . 0 0 "[ . 1 . 2]" 1
886 1 21 VAL HA 1 21 VAL MG1 . . 3.440 2.189 1.993 2.378 . 0 0 "[ . 1 . 2]" 1
887 1 21 VAL MG1 1 62 CYS HG . . 3.580 3.510 3.068 3.597 0.017 7 0 "[ . 1 . 2]" 1
888 1 19 TYR H 1 63 MET HA . . 4.680 3.741 3.507 4.072 . 0 0 "[ . 1 . 2]" 1
889 1 63 MET HA 1 64 LEU H . . 2.980 2.204 2.202 2.219 . 0 0 "[ . 1 . 2]" 1
890 1 63 MET HA 1 63 MET QG . . 3.970 2.558 2.208 3.024 . 0 0 "[ . 1 . 2]" 1
891 1 63 MET HA 1 63 MET ME . . 3.610 2.804 2.262 3.299 . 0 0 "[ . 1 . 2]" 1
892 1 49 GLN H 1 64 LEU HA . . 3.420 3.314 3.103 3.417 . 0 0 "[ . 1 . 2]" 1
893 1 64 LEU HA 1 64 LEU HG . . 3.860 2.536 2.446 2.659 . 0 0 "[ . 1 . 2]" 1
894 1 48 ILE HG12 1 64 LEU HA . . 4.530 4.172 3.942 4.533 0.003 6 0 "[ . 1 . 2]" 1
895 1 64 LEU HA 1 64 LEU MD2 . . 3.420 3.101 2.925 3.266 . 0 0 "[ . 1 . 2]" 1
896 1 16 THR MG 1 17 GLU H . . 3.620 2.559 2.101 2.924 . 0 0 "[ . 1 . 2]" 1
897 1 16 THR MG 1 63 MET HA . . 4.370 3.869 3.620 4.175 . 0 0 "[ . 1 . 2]" 1
898 1 16 THR MG 1 65 THR HA . . 4.520 4.051 3.707 4.321 . 0 0 "[ . 1 . 2]" 1
899 1 16 THR MG 1 17 GLU HA . . 5.160 3.755 3.448 4.063 . 0 0 "[ . 1 . 2]" 1
900 1 16 THR MG 1 63 MET QG . . 4.130 4.122 4.047 4.140 0.010 4 0 "[ . 1 . 2]" 1
901 1 16 THR MG 1 63 MET HB3 . . 3.620 3.136 2.846 3.495 . 0 0 "[ . 1 . 2]" 1
902 1 26 VAL H 1 26 VAL MG2 . . 4.520 3.600 3.530 3.685 . 0 0 "[ . 1 . 2]" 1
903 1 26 VAL MG2 1 60 ARG HB3 . . 4.370 2.610 2.094 3.024 . 0 0 "[ . 1 . 2]" 1
904 1 22 PRO HD3 1 82 VAL MG1 . . 3.890 3.003 2.815 3.204 . 0 0 "[ . 1 . 2]" 1
905 1 22 PRO HD2 1 82 VAL MG1 . . 4.160 3.354 3.168 3.673 . 0 0 "[ . 1 . 2]" 1
906 1 22 PRO QG 1 82 VAL MG1 . . 3.360 1.770 1.684 1.945 . 0 0 "[ . 1 . 2]" 1
907 1 25 MET ME 1 82 VAL MG1 . . 3.290 3.284 3.125 3.315 0.025 4 0 "[ . 1 . 2]" 1
908 1 82 VAL MG1 1 86 ARG QB . . 4.250 3.979 3.765 4.267 0.017 4 0 "[ . 1 . 2]" 1
909 1 64 LEU HB3 1 71 VAL MG1 . . 3.340 3.104 2.648 3.326 . 0 0 "[ . 1 . 2]" 1
910 1 71 VAL H 1 71 VAL MG1 . . 4.440 3.675 3.635 3.701 . 0 0 "[ . 1 . 2]" 1
911 1 71 VAL MG1 1 72 GLN H . . 4.060 3.309 3.147 3.552 . 0 0 "[ . 1 . 2]" 1
912 1 71 VAL HA 1 71 VAL MG1 . . 3.530 2.509 2.366 2.601 . 0 0 "[ . 1 . 2]" 1
913 1 64 LEU HB2 1 71 VAL MG1 . . 3.010 2.697 2.347 2.983 . 0 0 "[ . 1 . 2]" 1
914 1 71 VAL MG1 1 75 LYS QD . . 3.290 2.244 1.772 3.311 0.021 4 0 "[ . 1 . 2]" 1
915 1 82 VAL H 1 82 VAL MG1 . . 4.350 3.701 3.688 3.708 . 0 0 "[ . 1 . 2]" 1
916 1 82 VAL MG1 1 86 ARG HG2 . . 4.220 2.558 2.182 3.135 . 0 0 "[ . 1 . 2]" 1
917 1 14 VAL MG1 1 66 GLY H . . 3.620 1.909 1.869 2.057 . 0 0 "[ . 1 . 2]" 1
918 1 14 VAL H 1 14 VAL MG1 . . 4.330 3.820 3.725 3.908 . 0 0 "[ . 1 . 2]" 1
919 1 14 VAL MG1 1 15 MET HA . . 4.510 3.695 3.533 3.823 . 0 0 "[ . 1 . 2]" 1
920 1 57 LEU HA 1 58 PRO HD2 . . 3.260 2.756 2.710 2.898 . 0 0 "[ . 1 . 2]" 1
921 1 57 LEU HA 1 57 LEU MD2 . . 3.470 2.632 1.991 3.251 . 0 0 "[ . 1 . 2]" 1
922 1 65 THR MG 1 66 GLY H . . 3.650 2.770 2.512 2.935 . 0 0 "[ . 1 . 2]" 1
923 1 16 THR HA 1 65 THR MG . . 4.530 3.831 3.467 4.211 . 0 0 "[ . 1 . 2]" 1
924 1 65 THR MG 1 66 GLY HA2 . . 4.440 3.664 3.461 3.872 . 0 0 "[ . 1 . 2]" 1
925 1 14 VAL HB 1 65 THR MG . . 4.200 3.830 3.453 4.038 . 0 0 "[ . 1 . 2]" 1
926 1 14 VAL MG1 1 65 THR MG . . 3.220 1.936 1.779 2.090 . 0 0 "[ . 1 . 2]" 1
927 1 60 ARG HA 1 61 SER QB . . 4.110 4.096 4.036 4.113 0.003 3 0 "[ . 1 . 2]" 1
928 1 60 ARG HA 1 61 SER H . . 3.140 2.239 2.225 2.278 . 0 0 "[ . 1 . 2]" 1
929 1 60 ARG HA 1 60 ARG HG2 . . 4.050 3.876 3.798 3.933 . 0 0 "[ . 1 . 2]" 1
930 1 54 SER HA 1 60 ARG HA . . 4.130 3.982 3.440 4.165 0.035 18 0 "[ . 1 . 2]" 1
931 1 14 VAL MG2 1 66 GLY HA2 . . 4.400 2.695 2.137 3.038 . 0 0 "[ . 1 . 2]" 1
932 1 14 VAL MG2 1 15 MET H . . 4.380 3.972 3.795 4.091 . 0 0 "[ . 1 . 2]" 1
933 1 13 SER QB 1 14 VAL MG2 . . 4.470 4.178 3.860 4.344 . 0 0 "[ . 1 . 2]" 1
934 1 14 VAL MG2 1 65 THR MG . . 4.810 3.810 3.587 4.041 . 0 0 "[ . 1 . 2]" 1
935 1 51 ALA HA 1 52 PRO HD3 . . 2.860 2.022 1.983 2.057 . 0 0 "[ . 1 . 2]" 1
936 1 51 ALA HA 1 52 PRO QG . . 4.200 3.964 3.927 3.996 . 0 0 "[ . 1 . 2]" 1
937 1 21 VAL MG2 1 60 ARG H . . 4.620 2.780 2.588 3.207 . 0 0 "[ . 1 . 2]" 1
938 1 21 VAL H 1 21 VAL MG2 . . 3.540 2.028 1.906 2.350 . 0 0 "[ . 1 . 2]" 1
939 1 19 TYR QD 1 21 VAL MG2 . . 4.490 3.641 3.269 3.887 . 0 0 "[ . 1 . 2]" 1
940 1 19 TYR QE 1 21 VAL MG2 . . 4.720 4.479 3.884 4.728 0.008 4 0 "[ . 1 . 2]" 1
941 1 20 LYS HA 1 21 VAL MG2 . . 4.540 3.375 3.005 3.630 . 0 0 "[ . 1 . 2]" 1
942 1 21 VAL MG2 1 26 VAL HB . . 3.590 2.563 2.151 3.129 . 0 0 "[ . 1 . 2]" 1
943 1 21 VAL MG2 1 62 CYS HG . . 3.460 1.931 1.782 1.982 . 0 0 "[ . 1 . 2]" 1
944 1 21 VAL MG2 1 60 ARG HB3 . . 3.850 2.330 2.100 2.823 . 0 0 "[ . 1 . 2]" 1
945 1 21 VAL MG2 1 82 VAL MG2 . . 4.380 4.349 4.208 4.412 0.032 8 0 "[ . 1 . 2]" 1
946 1 21 VAL HA 1 22 PRO HD3 . . 3.080 2.054 2.031 2.083 . 0 0 "[ . 1 . 2]" 1
947 1 21 VAL HB 1 22 PRO HD3 . . 3.380 3.040 2.996 3.083 . 0 0 "[ . 1 . 2]" 1
948 1 21 VAL MG1 1 22 PRO HD3 . . 3.800 3.090 2.764 3.438 . 0 0 "[ . 1 . 2]" 1
949 1 21 VAL HA 1 22 PRO HD2 . . 3.340 2.814 2.776 2.859 . 0 0 "[ . 1 . 2]" 1
950 1 22 PRO HD2 1 25 MET HB3 . . 4.490 4.075 3.802 4.380 . 0 0 "[ . 1 . 2]" 1
951 1 21 VAL HB 1 22 PRO HD2 . . 3.190 1.991 1.976 2.013 . 0 0 "[ . 1 . 2]" 1
952 1 22 PRO HD2 1 82 VAL MG2 . . 3.990 1.975 1.914 2.104 . 0 0 "[ . 1 . 2]" 1
953 1 21 VAL MG1 1 22 PRO HD2 . . 3.650 2.973 2.737 3.249 . 0 0 "[ . 1 . 2]" 1
954 1 21 VAL MG2 1 22 PRO HD2 . . 4.190 3.673 3.525 3.756 . 0 0 "[ . 1 . 2]" 1
955 1 81 ILE H 1 81 ILE MG . . 4.230 3.688 3.648 3.715 . 0 0 "[ . 1 . 2]" 1
956 1 28 PHE QE 1 81 ILE MG . . 4.210 2.002 1.943 2.186 . 0 0 "[ . 1 . 2]" 1
957 1 28 PHE QD 1 81 ILE MG . . 4.010 2.522 2.362 2.688 . 0 0 "[ . 1 . 2]" 1
958 1 81 ILE HA 1 81 ILE MG . . 3.370 2.534 2.451 2.600 . 0 0 "[ . 1 . 2]" 1
959 1 81 ILE MG 1 82 VAL HA . . 4.510 3.208 3.063 3.317 . 0 0 "[ . 1 . 2]" 1
960 1 28 PHE HB3 1 81 ILE MG . . 4.240 3.832 3.663 3.942 . 0 0 "[ . 1 . 2]" 1
961 1 29 ILE HG13 1 81 ILE MG . . 3.730 2.916 2.700 3.402 . 0 0 "[ . 1 . 2]" 1
962 1 81 ILE HG13 1 81 ILE MG . . 3.440 3.226 3.210 3.238 . 0 0 "[ . 1 . 2]" 1
963 1 51 ALA HA 1 52 PRO HD2 . . 3.120 2.757 2.685 2.817 . 0 0 "[ . 1 . 2]" 1
964 1 57 LEU QB 1 58 PRO HD3 . . 3.320 3.212 3.007 3.266 . 0 0 "[ . 1 . 2]" 1
965 1 57 LEU MD1 1 58 PRO HD3 . . 3.660 2.542 2.030 4.578 0.918 15 3 "[ * . 1 + -2]" 1
966 1 52 PRO HD3 1 53 ASP H . . 4.790 3.849 3.658 4.161 . 0 0 "[ . 1 . 2]" 1
967 1 51 ALA MB 1 61 SER H . . 4.170 4.133 3.897 4.212 0.042 18 0 "[ . 1 . 2]" 1
968 1 51 ALA H 1 51 ALA MB . . 3.200 2.045 1.944 2.132 . 0 0 "[ . 1 . 2]" 1
969 1 51 ALA MB 1 53 ASP H . . 3.940 3.282 2.295 3.949 0.009 17 0 "[ . 1 . 2]" 1
970 1 50 ILE HA 1 51 ALA MB . . 4.290 3.911 3.872 3.959 . 0 0 "[ . 1 . 2]" 1
971 1 51 ALA MB 1 52 PRO HD2 . . 3.010 2.186 1.990 2.411 . 0 0 "[ . 1 . 2]" 1
972 1 51 ALA MB 1 52 PRO HD3 . . 3.020 2.928 2.777 3.033 0.013 4 0 "[ . 1 . 2]" 1
973 1 51 ALA MB 1 60 ARG HD2 . . 3.970 3.440 2.035 4.222 0.252 14 0 "[ . 1 . 2]" 1
974 1 51 ALA MB 1 60 ARG HD3 . . 4.180 3.025 2.172 3.836 . 0 0 "[ . 1 . 2]" 1
975 1 51 ALA MB 1 52 PRO QG . . 4.220 3.867 3.764 3.963 . 0 0 "[ . 1 . 2]" 1
976 1 50 ILE MG 1 51 ALA MB . . 4.370 3.680 3.469 3.886 . 0 0 "[ . 1 . 2]" 1
977 1 74 ALA H 1 74 ALA MB . . 3.210 2.002 1.932 2.081 . 0 0 "[ . 1 . 2]" 1
978 1 46 CYS H 1 74 ALA MB . . 3.790 3.617 3.494 3.708 . 0 0 "[ . 1 . 2]" 1
979 1 74 ALA MB 1 75 LYS H . . 3.590 2.505 2.290 2.753 . 0 0 "[ . 1 . 2]" 1
980 1 74 ALA MB 1 77 LEU H . . 4.630 4.465 4.322 4.599 . 0 0 "[ . 1 . 2]" 1
981 1 44 SER HG 1 74 ALA MB . . 4.550 2.312 1.943 2.814 . 0 0 "[ . 1 . 2]" 1
982 1 44 SER QB 1 74 ALA MB . . 2.910 2.429 2.271 2.714 . 0 0 "[ . 1 . 2]" 1
983 1 46 CYS HB3 1 74 ALA MB . . 3.460 2.610 2.020 2.709 . 0 0 "[ . 1 . 2]" 1
984 1 46 CYS HB2 1 74 ALA MB . . 3.620 2.656 2.413 2.760 . 0 0 "[ . 1 . 2]" 1
985 1 37 ILE MG 1 38 SER H . . 3.590 1.979 1.915 2.216 . 0 0 "[ . 1 . 2]" 1
986 1 37 ILE H 1 37 ILE MG . . 3.460 2.041 1.924 2.270 . 0 0 "[ . 1 . 2]" 1
987 1 37 ILE MG 1 41 GLN HE22 . . 5.050 2.985 2.147 3.593 . 0 0 "[ . 1 . 2]" 1
988 1 37 ILE MG 1 38 SER HA . . 4.120 3.092 2.921 3.314 . 0 0 "[ . 1 . 2]" 1
989 1 37 ILE MG 1 48 ILE MG . . 4.310 4.130 3.941 4.223 . 0 0 "[ . 1 . 2]" 1
990 1 30 ILE H 1 30 ILE MG . . 3.750 3.697 3.684 3.711 . 0 0 "[ . 1 . 2]" 1
991 1 30 ILE MG 1 34 GLY HA3 . . 3.010 2.566 2.425 2.765 . 0 0 "[ . 1 . 2]" 1
992 1 30 ILE HA 1 30 ILE MG . . 3.030 2.246 2.171 2.340 . 0 0 "[ . 1 . 2]" 1
993 1 15 MET HA 1 15 MET ME . . 5.500 4.131 3.832 4.327 . 0 0 "[ . 1 . 2]" 1
994 1 15 MET ME 1 17 GLU HA . . 5.500 3.408 3.123 3.788 . 0 0 "[ . 1 . 2]" 1
995 1 15 MET ME 1 68 PRO HA . . 4.440 3.615 2.887 4.227 . 0 0 "[ . 1 . 2]" 1
996 1 15 MET ME 1 15 MET HG3 . . 3.880 2.535 1.983 3.365 . 0 0 "[ . 1 . 2]" 1
997 1 15 MET ME 1 71 VAL MG1 . . 3.350 2.635 2.157 3.352 0.002 5 0 "[ . 1 . 2]" 1
998 1 40 ILE MG 1 77 LEU H . . 4.950 3.738 3.604 3.900 . 0 0 "[ . 1 . 2]" 1
999 1 40 ILE MG 1 41 GLN HA . . 3.870 3.853 3.695 3.889 0.019 20 0 "[ . 1 . 2]" 1
1000 1 40 ILE MG 1 77 LEU HA . . 4.020 3.997 3.859 4.130 0.110 19 0 "[ . 1 . 2]" 1
1001 1 40 ILE MG 1 74 ALA MB . . 3.400 2.673 2.573 2.915 . 0 0 "[ . 1 . 2]" 1
1002 1 40 ILE HG12 1 40 ILE MG . . 3.440 2.362 2.295 2.472 . 0 0 "[ . 1 . 2]" 1
1003 1 40 ILE MG 1 44 SER HG . . 4.140 3.342 2.665 4.050 . 0 0 "[ . 1 . 2]" 1
1004 1 40 ILE MG 1 77 LEU HB2 . . 3.070 1.905 1.831 1.985 . 0 0 "[ . 1 . 2]" 1
1005 1 40 ILE MG 1 78 LEU MD1 . . 5.500 3.451 3.244 3.819 . 0 0 "[ . 1 . 2]" 1
1006 1 40 ILE MG 1 41 GLN H . . 4.290 3.784 3.700 3.853 . 0 0 "[ . 1 . 2]" 1
1007 1 25 MET HA 1 25 MET ME . . 5.110 3.172 2.996 3.383 . 0 0 "[ . 1 . 2]" 1
1008 1 25 MET ME 1 86 ARG H . . 4.560 3.878 1.924 4.471 . 0 0 "[ . 1 . 2]" 1
1009 1 25 MET ME 1 28 PHE QD . . 4.360 2.154 1.996 2.368 . 0 0 "[ . 1 . 2]" 1
1010 1 25 MET ME 1 86 ARG HA . . 4.170 4.020 3.584 4.174 0.004 13 0 "[ . 1 . 2]" 1
1011 1 25 MET ME 1 85 GLY HA3 . . 3.890 2.036 1.823 2.668 . 0 0 "[ . 1 . 2]" 1
1012 1 25 MET ME 1 25 MET HG3 . . 3.920 2.418 2.367 2.454 . 0 0 "[ . 1 . 2]" 1
1013 1 25 MET ME 1 82 VAL MG2 . . 4.660 2.990 2.614 3.295 . 0 0 "[ . 1 . 2]" 1
1014 1 25 MET ME 1 29 ILE MD . . 4.770 4.134 3.738 4.353 . 0 0 "[ . 1 . 2]" 1
1015 1 29 ILE MG 1 37 ILE HA . . 5.210 3.226 2.955 3.498 . 0 0 "[ . 1 . 2]" 1
1016 1 29 ILE MG 1 37 ILE QG . . 4.360 3.391 2.264 3.755 . 0 0 "[ . 1 . 2]" 1
1017 1 50 ILE MG 1 51 ALA HA . . 5.230 4.432 4.277 4.532 . 0 0 "[ . 1 . 2]" 1
1018 1 50 ILE MG 1 51 ALA H . . 3.740 2.567 2.330 2.909 . 0 0 "[ . 1 . 2]" 1
1019 1 18 GLU H 1 63 MET ME . . 4.680 4.625 4.428 4.685 0.005 5 0 "[ . 1 . 2]" 1
1020 1 18 GLU HA 1 63 MET ME . . 3.960 3.373 2.892 3.770 . 0 0 "[ . 1 . 2]" 1
1021 1 16 THR HB 1 63 MET ME . . 4.110 4.024 3.791 4.110 . 18 0 "[ . 1 . 2]" 1
1022 1 63 MET ME 1 63 MET QG . . 3.560 2.215 2.047 2.375 . 0 0 "[ . 1 . 2]" 1
1023 1 16 THR MG 1 63 MET ME . . 3.400 1.925 1.811 2.110 . 0 0 "[ . 1 . 2]" 1
1024 1 48 ILE MG 1 64 LEU HA . . 4.610 4.387 4.169 4.583 . 0 0 "[ . 1 . 2]" 1
1025 1 48 ILE MG 1 50 ILE HG12 . . 3.750 2.419 2.288 2.571 . 0 0 "[ . 1 . 2]" 1
1026 1 48 ILE MG 1 49 GLN H . . 3.660 3.204 3.029 3.316 . 0 0 "[ . 1 . 2]" 1
1027 1 48 ILE H 1 48 ILE MG . . 3.950 3.808 3.794 3.827 . 0 0 "[ . 1 . 2]" 1
1028 1 48 ILE MG 1 50 ILE HG13 . . 2.960 2.125 1.964 2.301 . 0 0 "[ . 1 . 2]" 1
1029 1 48 ILE MG 1 78 LEU MD1 . . 4.620 2.640 2.410 2.883 . 0 0 "[ . 1 . 2]" 1
1030 1 50 ILE MD 1 50 ILE MG . . 2.760 1.905 1.865 1.950 . 0 0 "[ . 1 . 2]" 1
1031 1 50 ILE H 1 50 ILE HG12 . . 4.830 3.243 3.099 3.410 . 0 0 "[ . 1 . 2]" 1
1032 1 50 ILE HG12 1 51 ALA H . . 5.070 4.686 4.597 4.767 . 0 0 "[ . 1 . 2]" 1
1033 1 49 GLN HA 1 49 GLN HG2 . . 4.140 2.313 2.001 3.024 . 0 0 "[ . 1 . 2]" 1
1034 1 49 GLN H 1 49 GLN HB2 . . 3.860 2.317 2.211 2.523 . 0 0 "[ . 1 . 2]" 1
1035 1 49 GLN HB2 1 63 MET H . . 4.510 3.485 3.080 3.852 . 0 0 "[ . 1 . 2]" 1
1036 1 48 ILE HA 1 49 GLN H . . 3.630 2.198 2.179 2.212 . 0 0 "[ . 1 . 2]" 1
1037 1 48 ILE MG 1 63 MET H . . 4.890 4.639 4.440 4.891 0.001 19 0 "[ . 1 . 2]" 1
1038 1 47 LYS H 1 47 LYS HG3 . . 4.880 4.371 4.302 4.474 . 0 0 "[ . 1 . 2]" 1
1039 1 46 CYS HA 1 74 ALA MB . . 4.830 4.798 4.429 4.846 0.016 5 0 "[ . 1 . 2]" 1
1040 1 46 CYS HB3 1 70 SER HB2 . . 4.920 4.629 3.408 4.927 0.007 16 0 "[ . 1 . 2]" 1
1041 1 44 SER QB 1 46 CYS HB3 . . 5.290 4.207 3.912 4.496 . 0 0 "[ . 1 . 2]" 1
1042 1 43 GLU HG2 1 77 LEU MD1 . . 4.720 4.111 3.811 4.377 . 0 0 "[ . 1 . 2]" 1
1043 1 41 GLN HA 1 48 ILE HG13 . . 4.470 4.099 3.835 4.252 . 0 0 "[ . 1 . 2]" 1
1044 1 37 ILE QG 1 40 ILE HB . . 4.790 3.115 2.788 3.500 . 0 0 "[ . 1 . 2]" 1
1045 1 38 SER HA 1 41 GLN HE21 . . 4.990 3.331 1.952 4.870 . 0 0 "[ . 1 . 2]" 1
1046 1 38 SER HA 1 41 GLN H . . 4.890 3.136 3.012 3.353 . 0 0 "[ . 1 . 2]" 1
1047 1 36 GLN HG2 1 37 ILE HA . . 5.040 4.553 4.177 4.910 . 0 0 "[ . 1 . 2]" 1
1048 1 37 ILE HA 1 41 GLN H . . 5.350 4.226 4.018 4.421 . 0 0 "[ . 1 . 2]" 1
1049 1 37 ILE QG 1 41 GLN HG2 . . 5.100 4.041 3.498 5.121 0.021 5 0 "[ . 1 . 2]" 1
1050 1 20 LYS HA 1 20 LYS HD2 . . 5.190 3.885 1.980 4.043 . 0 0 "[ . 1 . 2]" 1
1051 1 37 ILE QG 1 41 GLN HE22 . . 4.730 3.570 2.924 5.298 0.568 3 1 "[ + . 1 . 2]" 1
1052 1 37 ILE QG 1 41 GLN HE21 . . 5.440 2.551 1.792 4.327 . 0 0 "[ . 1 . 2]" 1
1053 1 37 ILE QG 1 38 SER H . . 5.480 4.019 3.774 4.643 . 0 0 "[ . 1 . 2]" 1
1054 1 29 ILE HA 1 36 GLN HG2 . . 4.810 2.490 2.296 2.642 . 0 0 "[ . 1 . 2]" 1
1055 1 31 GLY HA2 1 36 GLN HG2 . . 4.840 4.427 4.023 4.841 0.001 9 0 "[ . 1 . 2]" 1
1056 1 36 GLN HG2 1 37 ILE H . . 5.360 4.330 4.024 4.628 . 0 0 "[ . 1 . 2]" 1
1057 1 36 GLN H 1 36 GLN HG2 . . 5.080 4.510 4.398 4.587 . 0 0 "[ . 1 . 2]" 1
1058 1 36 GLN H 1 36 GLN HG3 . . 4.890 4.341 4.321 4.381 . 0 0 "[ . 1 . 2]" 1
1059 1 35 GLU HB2 1 36 GLN H . . 4.730 4.184 3.912 4.330 . 0 0 "[ . 1 . 2]" 1
1060 1 31 GLY HA3 1 36 GLN HB2 . . 4.840 2.273 2.002 2.889 . 0 0 "[ . 1 . 2]" 1
1061 1 25 MET HA 1 28 PHE HB3 . . 4.660 2.729 2.615 2.900 . 0 0 "[ . 1 . 2]" 1
1062 1 25 MET HA 1 28 PHE QD . . 4.740 3.398 3.245 3.608 . 0 0 "[ . 1 . 2]" 1
1063 1 25 MET HB3 1 82 VAL MG2 . . 5.500 2.416 2.005 2.683 . 0 0 "[ . 1 . 2]" 1
1064 1 25 MET HG2 1 82 VAL MG2 . . 5.050 3.684 3.455 4.035 . 0 0 "[ . 1 . 2]" 1
1065 1 25 MET HG3 1 29 ILE MD . . 4.950 4.758 4.671 4.836 . 0 0 "[ . 1 . 2]" 1
1066 1 22 PRO HD2 1 25 MET HG2 . . 4.970 4.589 4.358 4.894 . 0 0 "[ . 1 . 2]" 1
1067 1 25 MET HG2 1 82 VAL HA . . 5.500 3.955 3.727 4.196 . 0 0 "[ . 1 . 2]" 1
1068 1 23 ASP HA 1 26 VAL HB . . 4.850 2.759 2.383 3.265 . 0 0 "[ . 1 . 2]" 1
1069 1 23 ASP HA 1 25 MET H . . 4.710 3.425 3.344 3.526 . 0 0 "[ . 1 . 2]" 1
1070 1 23 ASP HA 1 26 VAL H . . 5.210 3.105 2.975 3.264 . 0 0 "[ . 1 . 2]" 1
1071 1 23 ASP QB 1 54 SER QB . . 4.610 3.631 3.107 4.260 . 0 0 "[ . 1 . 2]" 1
1072 1 20 LYS HA 1 59 GLU HB3 . . 4.600 3.580 3.414 3.766 . 0 0 "[ . 1 . 2]" 1
1073 1 20 LYS HA 1 60 ARG H . . 4.850 4.614 4.328 4.763 . 0 0 "[ . 1 . 2]" 1
1074 1 20 LYS HB2 1 59 GLU QG . . 4.440 4.425 4.249 4.474 0.034 19 0 "[ . 1 . 2]" 1
1075 1 20 LYS HB2 1 59 GLU HB2 . . 4.540 4.275 4.105 4.502 . 0 0 "[ . 1 . 2]" 1
1076 1 18 GLU HG2 1 20 LYS HG2 . . 4.420 4.024 2.943 4.419 . 0 0 "[ . 1 . 2]" 1
1077 1 20 LYS HG2 1 21 VAL H . . 4.800 3.929 3.779 4.888 0.088 20 0 "[ . 1 . 2]" 1
1078 1 20 LYS HG3 1 21 VAL H . . 5.170 5.107 4.795 5.189 0.019 19 0 "[ . 1 . 2]" 1
1079 1 20 LYS HD2 1 61 SER HA . . 5.500 4.773 2.543 5.018 . 0 0 "[ . 1 . 2]" 1
1080 1 20 LYS H 1 20 LYS HD3 . . 5.500 5.423 4.085 5.533 0.033 19 0 "[ . 1 . 2]" 1
1081 1 16 THR HA 1 71 VAL MG2 . . 4.650 4.334 4.043 4.637 . 0 0 "[ . 1 . 2]" 1
1082 1 16 THR HA 1 17 GLU QB . . 4.400 3.949 3.876 3.988 . 0 0 "[ . 1 . 2]" 1
1083 1 54 SER QB 1 57 LEU MD2 . . 5.500 4.474 3.610 5.536 0.036 15 0 "[ . 1 . 2]" 1
1084 1 54 SER QB 1 60 ARG HB2 . . 4.770 2.734 1.978 3.134 . 0 0 "[ . 1 . 2]" 1
1085 1 54 SER QB 1 60 ARG HG3 . . 5.020 4.237 2.926 4.738 . 0 0 "[ . 1 . 2]" 1
1086 1 54 SER QB 1 60 ARG HE . . 4.580 3.344 1.843 4.484 . 0 0 "[ . 1 . 2]" 1
1087 1 59 GLU QG 1 60 ARG H . . 4.960 3.991 3.821 4.390 . 0 0 "[ . 1 . 2]" 1
1088 1 51 ALA H 1 60 ARG HG3 . . 5.100 3.505 3.046 3.886 . 0 0 "[ . 1 . 2]" 1
1089 1 60 ARG H 1 60 ARG HG3 . . 5.380 4.250 4.129 4.308 . 0 0 "[ . 1 . 2]" 1
1090 1 20 LYS HD3 1 61 SER HA . . 4.540 3.608 1.971 3.905 . 0 0 "[ . 1 . 2]" 1
1091 1 20 LYS HG2 1 61 SER HA . . 4.740 2.367 2.000 4.087 . 0 0 "[ . 1 . 2]" 1
1092 1 61 SER HA 1 62 CYS HG . . 5.500 3.731 3.224 5.405 . 0 0 "[ . 1 . 2]" 1
1093 1 21 VAL H 1 61 SER HA . . 4.950 3.871 3.626 4.061 . 0 0 "[ . 1 . 2]" 1
1094 1 48 ILE MG 1 62 CYS HA . . 4.630 4.189 4.012 4.316 . 0 0 "[ . 1 . 2]" 1
1095 1 50 ILE MD 1 62 CYS HA . . 4.650 4.656 4.619 4.674 0.024 16 0 "[ . 1 . 2]" 1
1096 1 50 ILE HG13 1 62 CYS HA . . 4.770 4.654 4.514 4.770 0.000 3 0 "[ . 1 . 2]" 1
1097 1 62 CYS HB2 1 78 LEU MD1 . . 5.310 3.679 3.466 3.894 . 0 0 "[ . 1 . 2]" 1
1098 1 21 VAL MG1 1 62 CYS HB2 . . 4.530 3.891 3.471 4.258 . 0 0 "[ . 1 . 2]" 1
1099 1 50 ILE HG12 1 62 CYS HB2 . . 4.540 3.814 3.642 3.965 . 0 0 "[ . 1 . 2]" 1
1100 1 50 ILE HA 1 62 CYS HB2 . . 4.870 4.838 4.723 4.880 0.010 20 0 "[ . 1 . 2]" 1
1101 1 61 SER HA 1 62 CYS HB2 . . 4.710 4.631 4.483 4.719 0.009 18 0 "[ . 1 . 2]" 1
1102 1 62 CYS HB3 1 78 LEU MD1 . . 5.150 3.867 3.644 4.071 . 0 0 "[ . 1 . 2]" 1
1103 1 50 ILE MG 1 62 CYS HB3 . . 4.370 3.867 3.719 4.002 . 0 0 "[ . 1 . 2]" 1
1104 1 50 ILE HG12 1 62 CYS HB3 . . 4.260 2.362 2.187 2.590 . 0 0 "[ . 1 . 2]" 1
1105 1 50 ILE HA 1 62 CYS HB3 . . 4.780 3.669 3.438 3.876 . 0 0 "[ . 1 . 2]" 1
1106 1 63 MET HA 1 64 LEU MD1 . . 4.560 3.652 3.414 3.838 . 0 0 "[ . 1 . 2]" 1
1107 1 62 CYS H 1 63 MET HA . . 5.000 4.528 4.433 4.806 . 0 0 "[ . 1 . 2]" 1
1108 1 65 THR HA 1 66 GLY HA2 . . 4.700 4.400 4.365 4.438 . 0 0 "[ . 1 . 2]" 1
1109 1 68 PRO HA 1 72 GLN H . . 4.730 4.149 3.644 4.399 . 0 0 "[ . 1 . 2]" 1
1110 1 70 SER HA 1 74 ALA H . . 4.790 3.741 3.521 3.910 . 0 0 "[ . 1 . 2]" 1
1111 1 73 SER HA 1 76 ARG QD . . 5.070 4.968 4.629 5.072 0.002 15 0 "[ . 1 . 2]" 1
1112 1 75 LYS HA 1 75 LYS QE . . 5.110 4.396 4.149 4.692 . 0 0 "[ . 1 . 2]" 1
1113 1 19 TYR QD 1 75 LYS HA . . 5.010 4.232 3.976 4.392 . 0 0 "[ . 1 . 2]" 1
1114 1 75 LYS HA 1 79 ASP H . . 4.860 3.652 3.394 3.882 . 0 0 "[ . 1 . 2]" 1
1115 1 81 ILE H 1 82 VAL MG2 . . 4.670 4.370 4.127 4.616 . 0 0 "[ . 1 . 2]" 1
1116 1 67 THR MG 1 70 SER H . . 4.880 4.281 3.688 4.522 . 0 0 "[ . 1 . 2]" 1
1117 1 66 GLY HA3 1 67 THR MG . . 4.220 4.048 3.459 4.232 0.012 11 0 "[ . 1 . 2]" 1
1118 1 66 GLY HA2 1 67 THR MG . . 4.340 3.830 3.386 4.031 . 0 0 "[ . 1 . 2]" 1
1119 1 50 ILE HA 1 51 ALA H . . 3.180 2.213 2.179 2.275 . 0 0 "[ . 1 . 2]" 1
1120 1 49 GLN H 1 50 ILE HA . . 4.960 4.886 4.743 4.964 0.004 14 0 "[ . 1 . 2]" 1
1121 1 48 ILE MG 1 50 ILE HA . . 5.050 4.240 4.135 4.373 . 0 0 "[ . 1 . 2]" 1
1122 1 50 ILE HB 1 51 ALA H . . 5.150 4.084 3.914 4.243 . 0 0 "[ . 1 . 2]" 1
1123 1 50 ILE HG13 1 62 CYS HB3 . . 5.500 3.829 3.624 4.072 . 0 0 "[ . 1 . 2]" 1
1124 1 49 GLN HA 1 50 ILE HG13 . . 4.560 3.719 3.642 3.843 . 0 0 "[ . 1 . 2]" 1
1125 1 50 ILE HG13 1 51 ALA H . . 5.440 5.283 5.210 5.336 . 0 0 "[ . 1 . 2]" 1
1126 1 50 ILE MG 1 62 CYS HB2 . . 5.500 4.480 4.331 4.610 . 0 0 "[ . 1 . 2]" 1
1127 1 50 ILE MG 1 61 SER QB . . 5.500 5.172 5.046 5.440 . 0 0 "[ . 1 . 2]" 1
1128 1 29 ILE HB 1 50 ILE MG . . 4.920 4.922 4.894 4.932 0.012 11 0 "[ . 1 . 2]" 1
1129 1 50 ILE MG 1 60 ARG HG2 . . 3.280 1.943 1.840 2.102 . 0 0 "[ . 1 . 2]" 1
1130 1 30 ILE H 1 50 ILE MD . . 5.280 4.432 4.153 4.788 . 0 0 "[ . 1 . 2]" 1
1131 1 30 ILE HA 1 50 ILE MD . . 5.340 3.971 3.746 4.231 . 0 0 "[ . 1 . 2]" 1
1132 1 49 GLN H 1 49 GLN HG3 . . 4.880 3.433 2.757 3.941 . 0 0 "[ . 1 . 2]" 1
1133 1 49 GLN H 1 49 GLN HG2 . . 5.170 3.976 3.357 4.506 . 0 0 "[ . 1 . 2]" 1
1134 1 47 LYS HA 1 48 ILE HB . . 4.960 4.364 4.333 4.404 . 0 0 "[ . 1 . 2]" 1
1135 1 41 GLN QB 1 48 ILE HB . . 5.500 4.389 4.172 4.538 . 0 0 "[ . 1 . 2]" 1
1136 1 40 ILE H 1 48 ILE MD . . 5.310 4.655 4.441 4.820 . 0 0 "[ . 1 . 2]" 1
1137 1 48 ILE MD 1 64 LEU HA . . 5.500 5.307 5.147 5.509 0.009 6 0 "[ . 1 . 2]" 1
1138 1 40 ILE HA 1 48 ILE MD . . 4.980 4.649 4.504 4.809 . 0 0 "[ . 1 . 2]" 1
1139 1 46 CYS HB2 1 48 ILE MD . . 4.690 4.692 4.647 4.702 0.012 20 0 "[ . 1 . 2]" 1
1140 1 41 GLN QB 1 48 ILE MD . . 4.740 3.580 3.449 3.770 . 0 0 "[ . 1 . 2]" 1
1141 1 48 ILE MD 1 78 LEU MD1 . . 4.020 2.447 2.125 2.657 . 0 0 "[ . 1 . 2]" 1
1142 1 41 GLN HG3 1 47 LYS HA . . 4.900 4.652 4.316 4.851 . 0 0 "[ . 1 . 2]" 1
1143 1 41 GLN QB 1 47 LYS HA . . 4.630 3.628 3.452 3.870 . 0 0 "[ . 1 . 2]" 1
1144 1 47 LYS HA 1 47 LYS QD . . 4.750 3.623 3.083 4.095 . 0 0 "[ . 1 . 2]" 1
1145 1 47 LYS HA 1 48 ILE HG12 . . 5.500 5.387 5.315 5.426 . 0 0 "[ . 1 . 2]" 1
1146 1 47 LYS HA 1 48 ILE MD . . 5.070 4.368 4.253 4.492 . 0 0 "[ . 1 . 2]" 1
1147 1 47 LYS HG3 1 49 GLN HG3 . . 4.700 4.495 3.483 5.292 0.592 18 3 "[*- . 1 . + 2]" 1
1148 1 47 LYS HG2 1 49 GLN HG3 . . 5.410 3.232 2.594 4.375 . 0 0 "[ . 1 . 2]" 1
1149 1 47 LYS QE 1 49 GLN HG3 . . 5.320 3.519 2.117 5.197 . 0 0 "[ . 1 . 2]" 1
1150 1 47 LYS QE 1 65 THR HB . . 5.340 4.329 2.030 5.344 0.004 13 0 "[ . 1 . 2]" 1
1151 1 46 CYS HA 1 70 SER HB3 . . 4.370 3.265 2.975 3.681 . 0 0 "[ . 1 . 2]" 1
1152 1 44 SER HA 1 46 CYS H . . 5.030 4.567 4.456 4.782 . 0 0 "[ . 1 . 2]" 1
1153 1 43 GLU HA 1 77 LEU MD1 . . 4.450 4.265 4.099 4.456 0.006 16 0 "[ . 1 . 2]" 1
1154 1 42 GLN HA 1 42 GLN QB . . 2.690 2.457 2.432 2.491 . 0 0 "[ . 1 . 2]" 1
1155 1 41 GLN QB 1 42 GLN HA . . 4.960 3.929 3.904 3.951 . 0 0 "[ . 1 . 2]" 1
1156 1 37 ILE MG 1 41 GLN HG3 . . 5.500 3.808 3.663 3.998 . 0 0 "[ . 1 . 2]" 1
1157 1 40 ILE HB 1 41 GLN HG3 . . 5.400 3.591 3.335 3.762 . 0 0 "[ . 1 . 2]" 1
1158 1 41 GLN HG3 1 48 ILE H . . 4.760 4.022 3.715 4.225 . 0 0 "[ . 1 . 2]" 1
1159 1 40 ILE HA 1 43 GLU H . . 4.450 3.229 3.168 3.287 . 0 0 "[ . 1 . 2]" 1
1160 1 40 ILE HA 1 44 SER H . . 4.310 3.710 3.608 3.848 . 0 0 "[ . 1 . 2]" 1
1161 1 40 ILE HB 1 48 ILE MD . . 3.390 2.946 2.785 3.087 . 0 0 "[ . 1 . 2]" 1
1162 1 36 GLN HE21 1 40 ILE HG13 . . 5.500 5.254 5.021 5.440 . 0 0 "[ . 1 . 2]" 1
1163 1 40 ILE HG13 1 41 GLN H . . 5.340 4.115 4.032 4.171 . 0 0 "[ . 1 . 2]" 1
1164 1 37 ILE HA 1 40 ILE HG13 . . 4.180 2.834 2.737 2.918 . 0 0 "[ . 1 . 2]" 1
1165 1 39 ARG HB2 1 40 ILE HG13 . . 4.280 3.919 3.738 4.035 . 0 0 "[ . 1 . 2]" 1
1166 1 40 ILE HG13 1 77 LEU HB3 . . 4.980 4.212 3.967 4.290 . 0 0 "[ . 1 . 2]" 1
1167 1 37 ILE H 1 40 ILE MD . . 5.190 4.281 4.160 4.456 . 0 0 "[ . 1 . 2]" 1
1168 1 39 ARG H 1 40 ILE MD . . 5.500 5.038 4.865 5.134 . 0 0 "[ . 1 . 2]" 1
1169 1 40 ILE MD 1 78 LEU H . . 5.500 3.977 3.772 4.237 . 0 0 "[ . 1 . 2]" 1
1170 1 40 ILE MD 1 78 LEU HA . . 4.180 2.826 2.728 3.044 . 0 0 "[ . 1 . 2]" 1
1171 1 76 ARG HG2 1 77 LEU H . . 5.140 4.580 4.319 4.875 . 0 0 "[ . 1 . 2]" 1
1172 1 39 ARG HG3 1 42 GLN H . . 5.500 5.251 5.101 5.475 . 0 0 "[ . 1 . 2]" 1
1173 1 39 ARG H 1 39 ARG HG2 . . 4.760 4.546 4.476 4.590 . 0 0 "[ . 1 . 2]" 1
1174 1 76 ARG HG3 1 77 LEU H . . 5.040 4.746 4.507 5.101 0.061 10 0 "[ . 1 . 2]" 1
1175 1 38 SER HA 1 38 SER HB2 . . 2.820 2.600 2.477 2.730 . 0 0 "[ . 1 . 2]" 1
1176 1 30 ILE HA 1 37 ILE HA . . 4.580 4.560 4.430 4.596 0.016 20 0 "[ . 1 . 2]" 1
1177 1 37 ILE H 1 37 ILE HB . . 3.270 2.489 2.361 2.619 . 0 0 "[ . 1 . 2]" 1
1178 1 37 ILE HA 1 37 ILE MG . . 3.590 3.207 3.193 3.216 . 0 0 "[ . 1 . 2]" 1
1179 1 37 ILE MD 1 37 ILE MG . . 3.640 2.980 1.843 3.258 . 0 0 "[ . 1 . 2]" 1
1180 1 35 GLU QG 1 36 GLN HA . . 4.310 3.443 2.926 4.220 . 0 0 "[ . 1 . 2]" 1
1181 1 35 GLU HA 1 38 SER H . . 3.510 3.129 2.943 3.395 . 0 0 "[ . 1 . 2]" 1
1182 1 35 GLU HA 1 37 ILE H . . 4.200 4.132 3.970 4.213 0.013 5 0 "[ . 1 . 2]" 1
1183 1 35 GLU HA 1 39 ARG H . . 4.160 4.092 4.012 4.173 0.013 5 0 "[ . 1 . 2]" 1
1184 1 76 ARG HA 1 76 ARG HG2 . . 3.780 2.420 2.108 2.863 . 0 0 "[ . 1 . 2]" 1
1185 1 35 GLU HB3 1 35 GLU QG . . 2.660 2.307 2.179 2.498 . 0 0 "[ . 1 . 2]" 1
1186 1 30 ILE HB 1 34 GLY HA2 . . 5.200 3.822 3.631 3.925 . 0 0 "[ . 1 . 2]" 1
1187 1 30 ILE HB 1 34 GLY HA3 . . 5.090 5.141 4.916 5.211 0.121 5 0 "[ . 1 . 2]" 1
1188 1 34 GLY HA3 1 35 GLU H . . 3.440 3.589 3.537 3.623 0.183 18 0 "[ . 1 . 2]" 1
1189 1 33 GLY QA 1 35 GLU H . . 4.330 3.926 3.576 4.202 . 0 0 "[ . 1 . 2]" 1
1190 1 32 ARG HA 1 32 ARG HG2 . . 3.510 2.672 1.998 3.504 . 0 0 "[ . 1 . 2]" 1
1191 1 32 ARG QB 1 33 GLY QA . . 4.850 3.817 3.285 4.245 . 0 0 "[ . 1 . 2]" 1
1192 1 32 ARG QB 1 32 ARG HG2 . . 2.400 2.373 2.181 2.571 0.171 11 0 "[ . 1 . 2]" 1
1193 1 29 ILE MG 1 30 ILE HA . . 3.890 3.595 3.418 3.880 . 0 0 "[ . 1 . 2]" 1
1194 1 30 ILE HA 1 30 ILE HG12 . . 3.440 3.181 2.467 3.407 . 0 0 "[ . 1 . 2]" 1
1195 1 30 ILE MG 1 34 GLY H . . 3.790 2.733 2.304 3.175 . 0 0 "[ . 1 . 2]" 1
1196 1 29 ILE HA 1 36 GLN HG3 . . 4.170 3.886 3.514 4.171 0.001 16 0 "[ . 1 . 2]" 1
1197 1 29 ILE HA 1 36 GLN HE22 . . 5.340 5.192 4.664 5.344 0.004 5 0 "[ . 1 . 2]" 1
1198 1 29 ILE HG13 1 29 ILE MG . . 3.140 3.206 3.187 3.233 0.093 4 0 "[ . 1 . 2]" 1
1199 1 28 PHE QD 1 29 ILE MG . . 5.500 5.472 5.322 5.523 0.023 12 0 "[ . 1 . 2]" 1
1200 1 29 ILE MG 1 31 GLY H . . 5.500 5.368 5.208 5.520 0.020 13 0 "[ . 1 . 2]" 1
1201 1 29 ILE HG12 1 29 ILE MG . . 3.160 2.584 2.433 2.659 . 0 0 "[ . 1 . 2]" 1
1202 1 28 PHE HA 1 28 PHE QD . . 3.760 2.494 2.441 2.539 . 0 0 "[ . 1 . 2]" 1
1203 1 25 MET ME 1 28 PHE HZ . . 4.820 4.828 4.824 4.836 0.016 13 0 "[ . 1 . 2]" 1
1204 1 28 PHE QE 1 81 ILE MD . . 5.110 4.167 3.691 4.488 . 0 0 "[ . 1 . 2]" 1
1205 1 28 PHE QD 1 29 ILE HG13 . . 4.830 4.253 4.022 4.489 . 0 0 "[ . 1 . 2]" 1
1206 1 28 PHE QD 1 81 ILE MD . . 4.900 4.530 4.159 4.891 . 0 0 "[ . 1 . 2]" 1
1207 1 27 GLY QA 1 30 ILE H . . 4.750 3.872 3.733 3.932 . 0 0 "[ . 1 . 2]" 1
1208 1 26 VAL MG2 1 27 GLY QA . . 4.160 4.006 3.682 4.180 0.020 2 0 "[ . 1 . 2]" 1
1209 1 26 VAL HA 1 29 ILE HG12 . . 3.250 3.665 3.613 3.694 0.444 3 0 "[ . 1 . 2]" 1
1210 1 25 MET H 1 26 VAL HB . . 5.450 3.820 3.702 4.011 . 0 0 "[ . 1 . 2]" 1
1211 1 26 VAL MG1 1 27 GLY H . . 5.500 1.830 1.788 1.901 . 0 0 "[ . 1 . 2]" 1
1212 1 23 ASP QB 1 26 VAL MG1 . . 5.050 3.278 2.897 3.578 . 0 0 "[ . 1 . 2]" 1
1213 1 26 VAL MG1 1 60 ARG HG2 . . 3.370 3.343 2.891 3.388 0.018 1 0 "[ . 1 . 2]" 1
1214 1 26 VAL MG2 1 60 ARG HG2 . . 4.460 2.249 1.822 2.890 . 0 0 "[ . 1 . 2]" 1
1215 1 25 MET HB3 1 29 ILE HG13 . . 3.860 3.006 2.934 3.084 . 0 0 "[ . 1 . 2]" 1
1216 1 22 PRO HB2 1 25 MET HB2 . . 4.810 3.280 3.076 3.378 . 0 0 "[ . 1 . 2]" 1
1217 1 22 PRO QG 1 25 MET HG3 . . 3.670 2.193 2.004 2.412 . 0 0 "[ . 1 . 2]" 1
1218 1 25 MET HG2 1 29 ILE MD . . 5.360 5.373 5.346 5.402 0.042 20 0 "[ . 1 . 2]" 1
1219 1 23 ASP QB 1 60 ARG H . . 5.360 3.710 3.368 3.968 . 0 0 "[ . 1 . 2]" 1
1220 1 22 PRO HA 1 60 ARG H . . 5.010 3.839 3.710 4.040 . 0 0 "[ . 1 . 2]" 1
1221 1 22 PRO HA 1 59 GLU QG . . 3.430 2.816 2.470 3.384 . 0 0 "[ . 1 . 2]" 1
1222 1 22 PRO HB3 1 23 ASP H . . 4.510 4.124 4.057 4.196 . 0 0 "[ . 1 . 2]" 1
1223 1 22 PRO QG 1 82 VAL MG2 . . 5.500 2.085 1.856 2.299 . 0 0 "[ . 1 . 2]" 1
1224 1 21 VAL MG2 1 22 PRO HD3 . . 4.610 4.311 4.243 4.341 . 0 0 "[ . 1 . 2]" 1
1225 1 21 VAL H 1 22 PRO HD3 . . 5.500 4.734 4.672 4.784 . 0 0 "[ . 1 . 2]" 1
1226 1 22 PRO HD2 1 25 MET HG3 . . 4.560 4.163 3.888 4.481 . 0 0 "[ . 1 . 2]" 1
1227 1 21 VAL MG1 1 82 VAL MG2 . . 3.600 2.942 2.748 3.353 . 0 0 "[ . 1 . 2]" 1
1228 1 20 LYS HB3 1 59 GLU HB2 . . 4.130 2.735 2.533 2.964 . 0 0 "[ . 1 . 2]" 1
1229 1 20 LYS HB3 1 21 VAL H . . 4.420 3.128 2.732 3.388 . 0 0 "[ . 1 . 2]" 1
1230 1 20 LYS HD3 1 20 LYS HG2 . . 2.820 2.288 2.265 2.315 . 0 0 "[ . 1 . 2]" 1
1231 1 20 LYS HG2 1 59 GLU HB3 . . 4.000 4.010 3.771 4.933 0.933 20 1 "[ . 1 . +]" 1
1232 1 20 LYS HG3 1 59 GLU HB3 . . 5.090 4.634 4.013 4.769 . 0 0 "[ . 1 . 2]" 1
1233 1 20 LYS HG3 1 59 GLU HB2 . . 5.040 4.629 3.623 4.785 . 0 0 "[ . 1 . 2]" 1
1234 1 20 LYS HG2 1 59 GLU HB2 . . 4.320 4.353 4.211 5.028 0.708 20 1 "[ . 1 . +]" 1
1235 1 20 LYS QE 1 61 SER HA . . 4.910 4.461 3.199 4.714 . 0 0 "[ . 1 . 2]" 1
1236 1 20 LYS QE 1 59 GLU HB2 . . 4.000 3.937 3.813 4.016 0.016 13 0 "[ . 1 . 2]" 1
1237 1 19 TYR HA 1 19 TYR QD . . 4.050 2.553 2.327 2.751 . 0 0 "[ . 1 . 2]" 1
1238 1 19 TYR HB3 1 78 LEU MD1 . . 4.990 3.728 3.483 3.944 . 0 0 "[ . 1 . 2]" 1
1239 1 19 TYR HB2 1 20 LYS H . . 4.990 4.496 4.407 4.593 . 0 0 "[ . 1 . 2]" 1
1240 1 19 TYR H 1 19 TYR QD . . 5.290 4.192 4.141 4.268 . 0 0 "[ . 1 . 2]" 1
1241 1 19 TYR QD 1 20 LYS HA . . 5.240 4.785 4.588 4.995 . 0 0 "[ . 1 . 2]" 1
1242 1 19 TYR QD 1 78 LEU HB3 . . 5.500 3.873 3.430 4.082 . 0 0 "[ . 1 . 2]" 1
1243 1 19 TYR QD 1 78 LEU HB2 . . 4.200 4.004 3.565 4.200 0.000 5 0 "[ . 1 . 2]" 1
1244 1 18 GLU HA 1 19 TYR HB2 . . 4.690 4.388 4.290 4.526 . 0 0 "[ . 1 . 2]" 1
1245 1 18 GLU HG3 1 62 CYS H . . 4.160 3.865 3.431 4.162 0.002 18 0 "[ . 1 . 2]" 1
1246 1 18 GLU HG2 1 61 SER QB . . 5.380 4.849 4.396 5.263 . 0 0 "[ . 1 . 2]" 1
1247 1 18 GLU HG3 1 20 LYS QE . . 5.020 4.623 4.004 4.945 . 0 0 "[ . 1 . 2]" 1
1248 1 17 GLU HA 1 18 GLU HB2 . . 4.410 4.485 4.367 4.676 0.266 20 0 "[ . 1 . 2]" 1
1249 1 17 GLU HA 1 17 GLU HG3 . . 3.870 2.798 2.193 3.542 . 0 0 "[ . 1 . 2]" 1
1250 1 15 MET ME 1 17 GLU QB . . 3.540 2.230 1.849 3.138 . 0 0 "[ . 1 . 2]" 1
1251 1 17 GLU QB 1 64 LEU HB3 . . 4.980 4.063 3.621 4.475 . 0 0 "[ . 1 . 2]" 1
1252 1 16 THR HA 1 17 GLU HA . . 5.280 4.335 4.310 4.410 . 0 0 "[ . 1 . 2]" 1
1253 1 15 MET HA 1 16 THR MG . . 5.500 5.395 5.329 5.430 . 0 0 "[ . 1 . 2]" 1
1254 1 86 ARG QB 1 87 SER HA . . 4.400 4.141 3.695 4.376 . 0 0 "[ . 1 . 2]" 1
1255 1 51 ALA HA 1 52 PRO HB2 . . 5.310 5.595 5.564 5.622 0.312 15 0 "[ . 1 . 2]" 1
1256 1 51 ALA MB 1 63 MET QG . . 5.000 4.818 4.605 5.009 0.009 3 0 "[ . 1 . 2]" 1
1257 1 51 ALA MB 1 62 CYS HA . . 5.500 4.711 4.575 4.876 . 0 0 "[ . 1 . 2]" 1
1258 1 51 ALA MB 1 63 MET H . . 5.380 5.260 5.055 5.391 0.011 11 0 "[ . 1 . 2]" 1
1259 1 50 ILE MG 1 52 PRO HA . . 5.310 4.826 4.640 5.008 . 0 0 "[ . 1 . 2]" 1
1260 1 51 ALA MB 1 52 PRO HA . . 5.190 4.326 4.276 4.368 . 0 0 "[ . 1 . 2]" 1
1261 1 52 PRO HA 1 53 ASP QB . . 5.460 5.044 4.541 5.317 . 0 0 "[ . 1 . 2]" 1
1262 1 58 PRO HD2 1 59 GLU H . . 4.330 2.297 2.259 2.519 . 0 0 "[ . 1 . 2]" 1
1263 1 57 LEU QB 1 58 PRO HD2 . . 3.260 2.238 1.985 2.307 . 0 0 "[ . 1 . 2]" 1
1264 1 51 ALA MB 1 53 ASP QB . . 5.500 4.597 4.102 5.372 . 0 0 "[ . 1 . 2]" 1
1265 1 54 SER QB 1 57 LEU QB . . 4.130 2.976 1.965 3.825 . 0 0 "[ . 1 . 2]" 1
1266 1 57 LEU QB 1 57 LEU MD1 . . 3.270 2.236 2.043 2.319 . 0 0 "[ . 1 . 2]" 1
1267 1 57 LEU HG 1 59 GLU H . . 4.920 4.773 4.597 4.930 0.010 2 0 "[ . 1 . 2]" 1
1268 1 57 LEU MD2 1 59 GLU H . . 5.200 4.859 3.152 5.222 0.022 8 0 "[ . 1 . 2]" 1
1269 1 23 ASP H 1 58 PRO HA . . 4.720 4.615 4.268 4.736 0.016 9 0 "[ . 1 . 2]" 1
1270 1 22 PRO HA 1 59 GLU HB3 . . 5.310 4.259 4.100 4.436 . 0 0 "[ . 1 . 2]" 1
1271 1 50 ILE MG 1 60 ARG HA . . 5.360 4.911 4.770 5.165 . 0 0 "[ . 1 . 2]" 1
1272 1 60 ARG HB2 1 61 SER H . . 5.410 4.248 4.071 4.358 . 0 0 "[ . 1 . 2]" 1
1273 1 60 ARG HB3 1 61 SER H . . 5.250 4.404 4.242 4.525 . 0 0 "[ . 1 . 2]" 1
1274 1 60 ARG HB3 1 60 ARG HE . . 4.900 3.873 3.025 4.615 . 0 0 "[ . 1 . 2]" 1
1275 1 60 ARG HB2 1 60 ARG HE . . 5.500 3.295 2.678 4.553 . 0 0 "[ . 1 . 2]" 1
1276 1 19 TYR QE 1 75 LYS HB2 . . 5.500 4.613 4.263 4.927 . 0 0 "[ . 1 . 2]" 1
1277 1 60 ARG HG2 1 61 SER H . . 5.130 4.406 4.130 4.848 . 0 0 "[ . 1 . 2]" 1
1278 1 50 ILE MG 1 60 ARG HD2 . . 4.010 3.260 2.548 4.353 0.343 19 0 "[ . 1 . 2]" 1
1279 1 60 ARG HA 1 60 ARG HD2 . . 4.240 3.557 2.114 4.284 0.044 4 0 "[ . 1 . 2]" 1
1280 1 60 ARG HD2 1 61 SER H . . 5.200 4.387 2.454 4.871 . 0 0 "[ . 1 . 2]" 1
1281 1 51 ALA H 1 60 ARG HD2 . . 5.230 4.144 2.709 5.009 . 0 0 "[ . 1 . 2]" 1
1282 1 54 SER QB 1 60 ARG HD2 . . 5.500 2.813 1.960 3.919 . 0 0 "[ . 1 . 2]" 1
1283 1 60 ARG HB2 1 60 ARG HD2 . . 3.590 2.637 2.095 3.493 . 0 0 "[ . 1 . 2]" 1
1284 1 54 SER QB 1 60 ARG HD3 . . 4.700 3.270 1.983 4.240 . 0 0 "[ . 1 . 2]" 1
1285 1 60 ARG HA 1 60 ARG HD3 . . 3.770 3.910 3.353 4.288 0.518 8 2 "[ . + 1 -. 2]" 1
1286 1 19 TYR H 1 61 SER HA . . 5.500 4.828 4.492 5.238 . 0 0 "[ . 1 . 2]" 1
1287 1 20 LYS HA 1 61 SER QB . . 4.720 4.385 4.136 4.646 . 0 0 "[ . 1 . 2]" 1
1288 1 51 ALA H 1 61 SER QB . . 4.910 4.623 4.380 4.792 . 0 0 "[ . 1 . 2]" 1
1289 1 19 TYR H 1 62 CYS HB3 . . 5.450 5.083 4.723 5.309 . 0 0 "[ . 1 . 2]" 1
1290 1 49 GLN H 1 63 MET HB2 . . 5.210 3.562 3.265 3.828 . 0 0 "[ . 1 . 2]" 1
1291 1 63 MET HB2 1 64 LEU H . . 5.390 4.417 4.325 4.522 . 0 0 "[ . 1 . 2]" 1
1292 1 16 THR MG 1 63 MET HB2 . . 4.980 4.579 4.215 4.939 . 0 0 "[ . 1 . 2]" 1
1293 1 49 GLN H 1 63 MET HB3 . . 5.470 4.544 4.023 4.871 . 0 0 "[ . 1 . 2]" 1
1294 1 63 MET HB3 1 64 LEU H . . 4.710 3.595 3.383 3.682 . 0 0 "[ . 1 . 2]" 1
1295 1 63 MET QG 1 64 LEU H . . 4.990 4.485 4.148 4.842 . 0 0 "[ . 1 . 2]" 1
1296 1 61 SER QB 1 63 MET QG . . 5.290 4.323 3.964 4.593 . 0 0 "[ . 1 . 2]" 1
1297 1 64 LEU HA 1 65 THR HB . . 4.900 4.503 4.423 4.560 . 0 0 "[ . 1 . 2]" 1
1298 1 64 LEU HB3 1 71 VAL HA . . 4.700 3.577 3.440 3.751 . 0 0 "[ . 1 . 2]" 1
1299 1 18 GLU H 1 64 LEU MD1 . . 5.470 4.342 3.928 4.790 . 0 0 "[ . 1 . 2]" 1
1300 1 49 GLN H 1 64 LEU MD2 . . 4.880 4.794 4.515 4.885 0.005 17 0 "[ . 1 . 2]" 1
1301 1 64 LEU MD2 1 75 LYS H . . 5.090 3.707 3.585 3.927 . 0 0 "[ . 1 . 2]" 1
1302 1 62 CYS HB2 1 64 LEU MD2 . . 5.500 4.396 3.941 4.794 . 0 0 "[ . 1 . 2]" 1
1303 1 64 LEU MD2 1 75 LYS HA . . 5.500 3.820 3.584 4.049 . 0 0 "[ . 1 . 2]" 1
1304 1 62 CYS HB3 1 64 LEU MD2 . . 5.450 4.359 3.935 4.736 . 0 0 "[ . 1 . 2]" 1
1305 1 64 LEU HA 1 65 THR HA . . 5.310 4.454 4.443 4.466 . 0 0 "[ . 1 . 2]" 1
1306 1 47 LYS HG3 1 65 THR HB . . 5.320 4.764 4.295 5.053 . 0 0 "[ . 1 . 2]" 1
1307 1 47 LYS HG2 1 65 THR HB . . 5.220 3.973 2.949 4.833 . 0 0 "[ . 1 . 2]" 1
1308 1 14 VAL MG1 1 65 THR HB . . 4.750 4.023 3.816 4.173 . 0 0 "[ . 1 . 2]" 1
1309 1 65 THR MG 1 66 GLY HA3 . . 4.970 4.339 4.177 4.536 . 0 0 "[ . 1 . 2]" 1
1310 1 67 THR MG 1 68 PRO HD3 . . 4.590 3.537 3.163 4.009 . 0 0 "[ . 1 . 2]" 1
1311 1 69 GLU HA 1 73 SER H . . 4.060 4.066 3.863 4.091 0.031 16 0 "[ . 1 . 2]" 1
1312 1 69 GLU H 1 69 GLU HG3 . . 4.970 3.645 2.680 4.346 . 0 0 "[ . 1 . 2]" 1
1313 1 69 GLU H 1 69 GLU HG2 . . 5.440 3.951 2.090 4.667 . 0 0 "[ . 1 . 2]" 1
1314 1 69 GLU HB2 1 69 GLU HG2 . . 3.040 2.862 2.539 3.055 0.015 10 0 "[ . 1 . 2]" 1
1315 1 70 SER H 1 70 SER HB3 . . 4.090 3.500 2.774 3.615 . 0 0 "[ . 1 . 2]" 1
1316 1 70 SER HB3 1 71 VAL H . . 4.620 3.682 3.467 4.005 . 0 0 "[ . 1 . 2]" 1
1317 1 25 MET HG3 1 82 VAL HA . . 4.610 2.247 2.000 2.513 . 0 0 "[ . 1 . 2]" 1
1318 1 46 CYS HB2 1 71 VAL HA . . 3.840 3.661 3.541 3.836 . 0 0 "[ . 1 . 2]" 1
1319 1 46 CYS HG 1 71 VAL HA . . 4.540 2.284 1.995 2.636 . 0 0 "[ . 1 . 2]" 1
1320 1 71 VAL MG2 1 74 ALA H . . 5.420 5.355 5.236 5.424 0.004 4 0 "[ . 1 . 2]" 1
1321 1 71 VAL MG1 1 75 LYS H . . 5.370 4.077 3.769 4.276 . 0 0 "[ . 1 . 2]" 1
1322 1 17 GLU H 1 71 VAL MG1 . . 5.500 4.204 3.965 4.596 . 0 0 "[ . 1 . 2]" 1
1323 1 71 VAL MG1 1 72 GLN QG . . 5.050 3.797 3.220 4.563 . 0 0 "[ . 1 . 2]" 1
1324 1 48 ILE MD 1 74 ALA HA . . 4.370 4.117 3.771 4.273 . 0 0 "[ . 1 . 2]" 1
1325 1 40 ILE MG 1 74 ALA HA . . 3.420 2.603 2.466 2.729 . 0 0 "[ . 1 . 2]" 1
1326 1 74 ALA HA 1 77 LEU HB2 . . 3.520 2.613 2.487 2.676 . 0 0 "[ . 1 . 2]" 1
1327 1 74 ALA HA 1 78 LEU H . . 5.080 4.167 3.935 4.356 . 0 0 "[ . 1 . 2]" 1
1328 1 74 ALA MB 1 76 ARG H . . 5.500 4.616 4.460 4.721 . 0 0 "[ . 1 . 2]" 1
1329 1 74 ALA MB 1 75 LYS HA . . 5.500 3.689 3.655 3.723 . 0 0 "[ . 1 . 2]" 1
1330 1 74 ALA MB 1 77 LEU HB2 . . 4.340 3.899 3.827 3.989 . 0 0 "[ . 1 . 2]" 1
1331 1 46 CYS HG 1 74 ALA MB . . 3.890 3.663 2.940 3.895 0.005 10 0 "[ . 1 . 2]" 1
1332 1 72 GLN HA 1 75 LYS HG3 . . 5.270 3.984 3.350 4.316 . 0 0 "[ . 1 . 2]" 1
1333 1 19 TYR QD 1 75 LYS HG3 . . 4.960 3.956 3.807 4.217 . 0 0 "[ . 1 . 2]" 1
1334 1 19 TYR QE 1 75 LYS HG3 . . 5.460 4.383 4.246 4.608 . 0 0 "[ . 1 . 2]" 1
1335 1 75 LYS HA 1 75 LYS QD . . 4.770 3.943 3.876 3.996 . 0 0 "[ . 1 . 2]" 1
1336 1 76 ARG HA 1 80 GLN H . . 4.200 3.776 3.537 4.054 . 0 0 "[ . 1 . 2]" 1
1337 1 76 ARG QB 1 76 ARG HG2 . . 2.780 2.542 2.431 2.569 . 0 0 "[ . 1 . 2]" 1
1338 1 77 LEU HA 1 80 GLN HG2 . . 5.150 4.630 3.899 5.074 . 0 0 "[ . 1 . 2]" 1
1339 1 77 LEU HA 1 80 GLN HG3 . . 5.500 3.758 3.196 5.154 . 0 0 "[ . 1 . 2]" 1
1340 1 77 LEU HG 1 78 LEU H . . 5.350 4.662 4.532 4.865 . 0 0 "[ . 1 . 2]" 1
1341 1 74 ALA HA 1 77 LEU HG . . 4.930 3.870 3.259 4.647 . 0 0 "[ . 1 . 2]" 1
1342 1 44 SER H 1 77 LEU MD1 . . 4.180 3.067 2.848 3.221 . 0 0 "[ . 1 . 2]" 1
1343 1 43 GLU H 1 77 LEU MD1 . . 5.010 3.941 3.725 4.064 . 0 0 "[ . 1 . 2]" 1
1344 1 77 LEU HA 1 77 LEU MD1 . . 3.970 3.839 3.700 3.871 . 0 0 "[ . 1 . 2]" 1
1345 1 77 LEU MD2 1 78 LEU H . . 5.400 4.821 4.705 4.937 . 0 0 "[ . 1 . 2]" 1
1346 1 77 LEU MD2 1 80 GLN HE22 . . 5.500 5.112 3.292 6.218 0.718 9 2 "[ . +1- . 2]" 1
1347 1 77 LEU MD2 1 80 GLN HB2 . . 4.490 3.939 3.536 4.337 . 0 0 "[ . 1 . 2]" 1
1348 1 78 LEU HA 1 81 ILE H . . 4.440 3.641 3.387 3.755 . 0 0 "[ . 1 . 2]" 1
1349 1 78 LEU HA 1 82 VAL H . . 5.500 4.664 4.386 4.851 . 0 0 "[ . 1 . 2]" 1
1350 1 78 LEU HA 1 81 ILE MD . . 3.470 2.682 2.343 3.160 . 0 0 "[ . 1 . 2]" 1
1351 1 78 LEU HB2 1 78 LEU HG . . 2.860 2.458 2.386 2.500 . 0 0 "[ . 1 . 2]" 1
1352 1 19 TYR HB2 1 78 LEU MD1 . . 4.700 4.412 4.091 4.697 . 0 0 "[ . 1 . 2]" 1
1353 1 19 TYR QE 1 78 LEU MD2 . . 5.200 4.442 4.140 4.850 . 0 0 "[ . 1 . 2]" 1
1354 1 19 TYR QD 1 78 LEU MD2 . . 5.480 4.680 4.369 5.072 . 0 0 "[ . 1 . 2]" 1
1355 1 78 LEU MD2 1 81 ILE H . . 5.500 5.022 4.792 5.191 . 0 0 "[ . 1 . 2]" 1
1356 1 78 LEU HB3 1 78 LEU MD2 . . 3.310 2.381 2.328 2.471 . 0 0 "[ . 1 . 2]" 1
1357 1 74 ALA MB 1 78 LEU MD2 . . 4.580 4.164 4.000 4.357 . 0 0 "[ . 1 . 2]" 1
1358 1 79 ASP HA 1 80 GLN HA . . 5.080 4.914 4.822 4.947 . 0 0 "[ . 1 . 2]" 1
1359 1 79 ASP HB3 1 82 VAL HB . . 5.190 5.054 4.786 5.326 0.136 11 0 "[ . 1 . 2]" 1
1360 1 80 GLN HA 1 84 LYS H . . 3.600 3.598 3.545 3.621 0.021 14 0 "[ . 1 . 2]" 1
1361 1 79 ASP HB2 1 80 GLN HA . . 5.270 5.262 5.075 5.457 0.187 5 0 "[ . 1 . 2]" 1
1362 1 77 LEU MD2 1 80 GLN HB3 . . 5.070 4.358 4.123 4.635 . 0 0 "[ . 1 . 2]" 1
1363 1 80 GLN HB3 1 81 ILE HG12 . . 4.990 4.803 4.358 5.015 0.025 13 0 "[ . 1 . 2]" 1
1364 1 81 ILE HG12 1 82 VAL H . . 5.130 5.049 4.949 5.150 0.020 20 0 "[ . 1 . 2]" 1
1365 1 84 LYS HA 1 84 LYS QD . . 3.830 3.166 2.172 3.831 0.001 3 0 "[ . 1 . 2]" 1
1366 1 85 GLY HA2 1 86 ARG HA . . 5.500 4.554 4.360 5.258 . 0 0 "[ . 1 . 2]" 1
1367 1 14 VAL HA 1 15 MET HG2 . . 4.720 4.119 3.593 4.742 0.022 14 0 "[ . 1 . 2]" 1
1368 1 15 MET HG2 1 68 PRO HD3 . . 4.320 3.548 2.866 4.168 . 0 0 "[ . 1 . 2]" 1
1369 1 15 MET HG2 1 16 THR H . . 5.140 4.985 4.828 5.096 . 0 0 "[ . 1 . 2]" 1
1370 1 15 MET HG3 1 16 THR H . . 4.850 4.174 3.881 4.650 . 0 0 "[ . 1 . 2]" 1
1371 1 17 GLU H 1 63 MET ME . . 4.850 3.987 3.683 4.246 . 0 0 "[ . 1 . 2]" 1
1372 1 17 GLU HG2 1 71 VAL MG1 . . 4.390 3.214 2.358 4.369 . 0 0 "[ . 1 . 2]" 1
1373 1 17 GLU HG3 1 71 VAL MG1 . . 4.150 3.665 2.919 3.967 . 0 0 "[ . 1 . 2]" 1
1374 1 48 ILE HA 1 64 LEU HA . . 3.880 2.678 2.553 2.789 . 0 0 "[ . 1 . 2]" 1
1375 1 49 GLN HA 1 50 ILE HB . . 5.410 4.842 4.772 4.920 . 0 0 "[ . 1 . 2]" 1
1376 1 49 GLN HA 1 50 ILE HG12 . . 5.260 4.667 4.486 4.796 . 0 0 "[ . 1 . 2]" 1
1377 1 48 ILE MG 1 49 GLN HA . . 5.500 3.903 3.776 3.993 . 0 0 "[ . 1 . 2]" 1
1378 1 47 LYS QD 1 65 THR MG . . 4.250 3.910 3.342 4.225 . 0 0 "[ . 1 . 2]" 1
1379 1 43 GLU HB2 1 44 SER HA . . 4.970 4.854 4.791 4.972 0.002 4 0 "[ . 1 . 2]" 1
1380 1 40 ILE HA 1 43 GLU HG3 . . 5.110 3.520 3.316 3.905 . 0 0 "[ . 1 . 2]" 1
1381 1 42 GLN HG2 1 43 GLU H . . 5.500 4.714 4.515 4.831 . 0 0 "[ . 1 . 2]" 1
1382 1 41 GLN HA 1 43 GLU H . . 5.390 4.397 4.166 4.584 . 0 0 "[ . 1 . 2]" 1
1383 1 14 VAL HB 1 66 GLY HA2 . . 5.320 4.573 4.349 4.770 . 0 0 "[ . 1 . 2]" 1
1384 1 14 VAL MG2 1 67 THR H . . 5.500 4.219 3.744 4.732 . 0 0 "[ . 1 . 2]" 1
1385 1 15 MET ME 1 16 THR HA . . 5.500 3.453 2.376 4.477 . 0 0 "[ . 1 . 2]" 1
1386 1 16 THR HA 1 64 LEU HB2 . . 5.180 4.543 4.257 4.732 . 0 0 "[ . 1 . 2]" 1
1387 1 18 GLU HG3 1 61 SER HA . . 5.500 4.082 3.743 4.419 . 0 0 "[ . 1 . 2]" 1
1388 1 18 GLU HG2 1 61 SER HA . . 5.500 4.931 4.585 5.371 . 0 0 "[ . 1 . 2]" 1
1389 1 18 GLU HG2 1 20 LYS HG3 . . 4.510 3.420 3.093 4.423 . 0 0 "[ . 1 . 2]" 1
1390 1 20 LYS HA 1 62 CYS HG . . 5.180 3.903 3.540 5.025 . 0 0 "[ . 1 . 2]" 1
1391 1 20 LYS HA 1 21 VAL HA . . 5.500 4.407 4.375 4.480 . 0 0 "[ . 1 . 2]" 1
1392 1 20 LYS HA 1 21 VAL MG1 . . 5.170 3.905 3.574 4.251 . 0 0 "[ . 1 . 2]" 1
1393 1 25 MET ME 1 28 PHE HB3 . . 4.300 3.732 3.461 4.009 . 0 0 "[ . 1 . 2]" 1
1394 1 25 MET ME 1 28 PHE HB2 . . 5.230 4.659 4.348 4.910 . 0 0 "[ . 1 . 2]" 1
1395 1 28 PHE HB2 1 81 ILE MG . . 4.920 4.868 4.721 4.940 0.020 4 0 "[ . 1 . 2]" 1
1396 1 28 PHE HB3 1 29 ILE MD . . 5.500 5.248 5.114 5.326 . 0 0 "[ . 1 . 2]" 1
1397 1 25 MET HA 1 28 PHE HB2 . . 4.740 4.046 3.963 4.195 . 0 0 "[ . 1 . 2]" 1
1398 1 32 ARG HA 1 32 ARG HG3 . . 4.020 2.915 1.976 3.594 . 0 0 "[ . 1 . 2]" 1
1399 1 40 ILE HA 1 43 GLU HG2 . . 5.500 4.308 4.049 4.840 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 66.178
_Distance_constraint_stats_list.Viol_max 0.220
_Distance_constraint_stats_list.Viol_rms 0.0936
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0827
_Distance_constraint_stats_list.Viol_average_violations_only 0.1654
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 19 TYR 3.309 0.220 19 0 "[ . 1 . 2]"
1 62 CYS 3.309 0.220 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 TYR O 1 62 CYS H . . 1.800 1.965 1.843 2.020 0.220 19 0 "[ . 1 . 2]" 2
2 1 19 TYR O 1 62 CYS N . . 3.000 2.835 2.702 2.962 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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