NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600613 |
2n10   |
25542 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n10
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 785
_Distance_constraint_stats_list.Viol_count 966
_Distance_constraint_stats_list.Viol_total 296.793
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0154
_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 1 GLY 0.026 0.017 2 0 "[ . 1 . 2]"
1 2 THR 0.874 0.085 2 0 "[ . 1 . 2]"
1 3 LYS 0.159 0.026 13 0 "[ . 1 . 2]"
1 4 LYS 0.545 0.045 12 0 "[ . 1 . 2]"
1 5 TYR 2.558 0.072 11 0 "[ . 1 . 2]"
1 6 ASP 0.329 0.037 20 0 "[ . 1 . 2]"
1 7 LEU 2.232 0.060 2 0 "[ . 1 . 2]"
1 8 SER 0.263 0.060 2 0 "[ . 1 . 2]"
1 9 LYS 0.666 0.041 4 0 "[ . 1 . 2]"
1 10 TRP 2.412 0.041 4 0 "[ . 1 . 2]"
1 11 LYS 0.433 0.037 16 0 "[ . 1 . 2]"
1 12 TYR 0.026 0.009 1 0 "[ . 1 . 2]"
1 13 ALA 0.026 0.009 1 0 "[ . 1 . 2]"
1 14 GLU 0.701 0.026 20 0 "[ . 1 . 2]"
1 15 LEU 0.138 0.028 13 0 "[ . 1 . 2]"
1 16 ARG 0.049 0.048 19 0 "[ . 1 . 2]"
1 17 ASP 0.801 0.048 19 0 "[ . 1 . 2]"
1 18 THR 0.925 0.032 20 0 "[ . 1 . 2]"
1 19 ILE 1.429 0.047 14 0 "[ . 1 . 2]"
1 20 ASN 1.047 0.023 15 0 "[ . 1 . 2]"
1 21 THR 0.872 0.036 3 0 "[ . 1 . 2]"
1 22 SER 0.783 0.031 15 0 "[ . 1 . 2]"
1 23 CYS 0.373 0.027 14 0 "[ . 1 . 2]"
1 24 ASP 0.302 0.013 13 0 "[ . 1 . 2]"
1 25 ILE 0.567 0.025 13 0 "[ . 1 . 2]"
1 26 GLU 1.102 0.025 13 0 "[ . 1 . 2]"
1 27 LEU 3.372 0.072 11 0 "[ . 1 . 2]"
1 28 LEU 0.605 0.036 3 0 "[ . 1 . 2]"
1 29 ALA 0.086 0.021 8 0 "[ . 1 . 2]"
1 30 ALA 0.029 0.007 5 0 "[ . 1 . 2]"
1 31 CYS 0.784 0.029 15 0 "[ . 1 . 2]"
1 32 ARG 0.059 0.021 8 0 "[ . 1 . 2]"
1 33 GLU 0.054 0.011 2 0 "[ . 1 . 2]"
1 34 GLU 0.274 0.100 13 0 "[ . 1 . 2]"
1 35 PHE 0.083 0.016 15 0 "[ . 1 . 2]"
1 36 HIS 0.068 0.012 17 0 "[ . 1 . 2]"
1 37 ARG 0.110 0.039 1 0 "[ . 1 . 2]"
1 38 ARG 0.140 0.036 7 0 "[ . 1 . 2]"
1 39 LEU 0.050 0.015 15 0 "[ . 1 . 2]"
1 40 LYS 0.065 0.016 8 0 "[ . 1 . 2]"
1 41 VAL 0.162 0.036 7 0 "[ . 1 . 2]"
1 42 TYR 0.065 0.016 8 0 "[ . 1 . 2]"
1 43 HIS 0.003 0.003 12 0 "[ . 1 . 2]"
1 44 ALA 0.012 0.008 16 0 "[ . 1 . 2]"
1 45 TRP 0.173 0.028 16 0 "[ . 1 . 2]"
1 46 LYS 0.107 0.069 17 0 "[ . 1 . 2]"
1 47 SER 0.018 0.008 3 0 "[ . 1 . 2]"
1 48 LYS 0.184 0.054 4 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.125 0.036 2 0 "[ . 1 . 2]"
1 51 LYS 0.139 0.036 2 0 "[ . 1 . 2]"
1 52 ARG 0.172 0.078 9 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 7 LEU H 1 7 LEU HG . . 3.600 2.557 2.451 2.688 . 0 0 "[ . 1 . 2]" 1
2 1 25 ILE H 1 25 ILE HB . . 3.680 3.606 3.602 3.610 . 0 0 "[ . 1 . 2]" 1
3 1 24 ASP HA 1 25 ILE H . . 3.130 2.173 2.168 2.180 . 0 0 "[ . 1 . 2]" 1
4 1 25 ILE H 1 25 ILE HG13 . . 3.300 2.519 2.489 2.537 . 0 0 "[ . 1 . 2]" 1
5 1 27 LEU H 1 28 LEU H . . 3.400 2.880 2.872 2.888 . 0 0 "[ . 1 . 2]" 1
6 1 27 LEU H 1 27 LEU HB2 . . 3.520 2.158 2.150 2.168 . 0 0 "[ . 1 . 2]" 1
7 1 2 THR HA 1 3 LYS H . . 2.550 2.432 2.143 2.560 0.010 12 0 "[ . 1 . 2]" 1
8 1 3 LYS H 1 3 LYS QB . . 2.750 2.603 2.420 2.776 0.026 13 0 "[ . 1 . 2]" 1
9 1 2 THR MG 1 3 LYS H . . 3.370 3.276 3.076 3.381 0.011 1 0 "[ . 1 . 2]" 1
10 1 24 ASP H 1 24 ASP HB3 . . 3.610 3.417 3.407 3.430 . 0 0 "[ . 1 . 2]" 1
11 1 24 ASP H 1 24 ASP HB2 . . 3.480 3.253 3.242 3.266 . 0 0 "[ . 1 . 2]" 1
12 1 51 LYS H 1 52 ARG H . . 4.860 3.971 2.847 4.653 . 0 0 "[ . 1 . 2]" 1
13 1 50 LYS HA 1 51 LYS H . . 3.260 2.830 2.143 3.296 0.036 2 0 "[ . 1 . 2]" 1
14 1 3 LYS H 1 4 LYS H . . 4.390 3.881 1.696 4.405 0.015 9 0 "[ . 1 . 2]" 1
15 1 3 LYS QB 1 4 LYS H . . 3.810 2.763 1.767 3.818 0.008 12 0 "[ . 1 . 2]" 1
16 1 11 LYS H 1 11 LYS HG2 . . 3.990 2.661 1.980 4.020 0.030 19 0 "[ . 1 . 2]" 1
17 1 19 ILE H 1 19 ILE HB . . 3.750 2.202 2.187 2.228 . 0 0 "[ . 1 . 2]" 1
18 1 19 ILE H 1 20 ASN H . . 3.480 2.446 2.430 2.460 . 0 0 "[ . 1 . 2]" 1
19 1 14 GLU H 1 15 LEU H . . 3.460 2.684 2.631 2.724 . 0 0 "[ . 1 . 2]" 1
20 1 10 TRP H 1 10 TRP HD1 . . 3.810 3.467 3.430 3.512 . 0 0 "[ . 1 . 2]" 1
21 1 10 TRP H 1 10 TRP HB2 . . 3.280 2.424 2.406 2.456 . 0 0 "[ . 1 . 2]" 1
22 1 45 TRP H 1 46 LYS H . . 3.490 2.826 2.616 3.117 . 0 0 "[ . 1 . 2]" 1
23 1 30 ALA H 1 31 CYS H . . 3.380 2.694 2.580 2.755 . 0 0 "[ . 1 . 2]" 1
24 1 22 SER HA 1 23 CYS H . . 3.090 2.455 2.435 2.463 . 0 0 "[ . 1 . 2]" 1
25 1 23 CYS H 1 23 CYS HB2 . . 3.390 3.348 3.268 3.389 . 0 0 "[ . 1 . 2]" 1
26 1 23 CYS H 1 23 CYS HB3 . . 3.330 3.029 2.982 3.097 . 0 0 "[ . 1 . 2]" 1
27 1 25 ILE H 1 26 GLU H . . 3.310 2.968 2.949 2.982 . 0 0 "[ . 1 . 2]" 1
28 1 26 GLU H 1 27 LEU H . . 3.050 2.639 2.630 2.651 . 0 0 "[ . 1 . 2]" 1
29 1 6 ASP H 1 6 ASP HB2 . . 3.710 3.249 2.628 3.741 0.031 12 0 "[ . 1 . 2]" 1
30 1 5 TYR QB 1 6 ASP H . . 3.350 2.839 2.660 3.042 . 0 0 "[ . 1 . 2]" 1
31 1 6 ASP H 1 6 ASP HB3 . . 3.710 3.033 2.746 3.747 0.037 20 0 "[ . 1 . 2]" 1
32 1 29 ALA H 1 29 ALA MB . . 2.960 2.244 2.237 2.247 . 0 0 "[ . 1 . 2]" 1
33 1 5 TYR H 1 5 TYR QD . . 3.500 3.178 3.041 3.399 . 0 0 "[ . 1 . 2]" 1
34 1 5 TYR H 1 5 TYR QB . . 3.120 2.486 2.418 2.578 . 0 0 "[ . 1 . 2]" 1
35 1 4 LYS QB 1 5 TYR H . . 3.300 2.256 1.890 3.076 . 0 0 "[ . 1 . 2]" 1
36 1 18 THR H 1 19 ILE H . . 3.500 2.754 2.726 2.767 . 0 0 "[ . 1 . 2]" 1
37 1 18 THR H 1 18 THR HB . . 3.480 2.743 2.711 2.761 . 0 0 "[ . 1 . 2]" 1
38 1 8 SER H 1 9 LYS H . . 3.480 3.038 3.002 3.100 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS H 1 10 TRP H . . 4.190 4.047 4.044 4.053 . 0 0 "[ . 1 . 2]" 1
40 1 16 ARG HB3 1 17 ASP H . . 3.930 2.445 2.319 3.847 . 0 0 "[ . 1 . 2]" 1
41 1 17 ASP H 1 18 THR H . . 3.270 2.893 2.872 2.902 . 0 0 "[ . 1 . 2]" 1
42 1 16 ARG HB2 1 17 ASP H . . 3.930 3.683 3.502 3.803 . 0 0 "[ . 1 . 2]" 1
43 1 17 ASP H 1 17 ASP HB2 . . 3.840 2.370 2.323 2.574 . 0 0 "[ . 1 . 2]" 1
44 1 17 ASP H 1 17 ASP HB3 . . 3.840 2.705 2.481 2.763 . 0 0 "[ . 1 . 2]" 1
45 1 22 SER H 1 22 SER HB2 . . 3.410 2.191 2.185 2.199 . 0 0 "[ . 1 . 2]" 1
46 1 22 SER H 1 22 SER HB3 . . 3.410 3.423 3.415 3.441 0.031 15 0 "[ . 1 . 2]" 1
47 1 7 LEU H 1 8 SER H . . 3.260 3.151 2.486 3.223 . 0 0 "[ . 1 . 2]" 1
48 1 36 HIS H 1 37 ARG H . . 3.910 2.761 2.649 2.848 . 0 0 "[ . 1 . 2]" 1
49 1 37 ARG H 1 38 ARG H . . 4.230 2.774 2.601 2.842 . 0 0 "[ . 1 . 2]" 1
50 1 20 ASN H 1 21 THR H . . 3.190 2.193 2.156 2.202 . 0 0 "[ . 1 . 2]" 1
51 1 20 ASN H 1 20 ASN HB3 . . 3.230 2.413 2.395 2.427 . 0 0 "[ . 1 . 2]" 1
52 1 2 THR H 1 2 THR HB . . 3.440 3.173 2.403 3.525 0.085 2 0 "[ . 1 . 2]" 1
53 1 1 GLY QA 1 2 THR H . . 2.780 2.359 2.120 2.797 0.017 2 0 "[ . 1 . 2]" 1
54 1 2 THR H 1 2 THR MG . . 3.240 2.448 1.793 3.237 . 0 0 "[ . 1 . 2]" 1
55 1 20 ASN HB3 1 20 ASN HD21 . . 3.200 2.707 2.679 2.718 . 0 0 "[ . 1 . 2]" 1
56 1 21 THR H 1 22 SER H . . 2.980 2.106 2.094 2.131 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU H 1 7 LEU MD1 . . 4.010 3.781 3.728 3.927 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU H 1 7 LEU HB2 . . 3.840 2.793 2.743 2.958 . 0 0 "[ . 1 . 2]" 1
59 1 5 TYR QB 1 7 LEU H . . 4.940 4.499 4.425 4.716 . 0 0 "[ . 1 . 2]" 1
60 1 7 LEU H 1 8 SER HA . . 4.410 4.348 4.004 4.399 . 0 0 "[ . 1 . 2]" 1
61 1 7 LEU H 1 8 SER HB3 . . 5.500 5.506 5.467 5.560 0.060 2 0 "[ . 1 . 2]" 1
62 1 6 ASP H 1 7 LEU MD2 . . 4.140 3.395 3.187 3.623 . 0 0 "[ . 1 . 2]" 1
63 1 5 TYR H 1 6 ASP H . . 4.440 4.432 4.375 4.463 0.023 6 0 "[ . 1 . 2]" 1
64 1 6 ASP H 1 7 LEU H . . 4.120 3.970 3.864 4.119 . 0 0 "[ . 1 . 2]" 1
65 1 4 LYS HG3 1 5 TYR H . . 4.750 4.062 1.751 4.659 . 0 0 "[ . 1 . 2]" 1
66 1 4 LYS HG2 1 5 TYR H . . 4.750 4.437 2.720 4.753 0.003 16 0 "[ . 1 . 2]" 1
67 1 4 LYS H 1 5 TYR QB . . 5.350 4.940 4.339 5.345 . 0 0 "[ . 1 . 2]" 1
68 1 24 ASP HB2 1 25 ILE H . . 4.440 4.401 4.384 4.416 . 0 0 "[ . 1 . 2]" 1
69 1 25 ILE H 1 27 LEU H . . 4.610 4.590 4.577 4.608 . 0 0 "[ . 1 . 2]" 1
70 1 7 LEU HG 1 8 SER H . . 5.220 4.885 4.673 4.934 . 0 0 "[ . 1 . 2]" 1
71 1 8 SER H 1 8 SER HB2 . . 3.470 2.822 2.732 3.105 . 0 0 "[ . 1 . 2]" 1
72 1 8 SER H 1 8 SER HB3 . . 3.470 2.406 2.318 3.474 0.004 2 0 "[ . 1 . 2]" 1
73 1 6 ASP HA 1 8 SER H . . 4.340 4.236 3.796 4.340 . 0 0 "[ . 1 . 2]" 1
74 1 35 PHE HB2 1 36 HIS H . . 3.940 2.848 2.736 3.034 . 0 0 "[ . 1 . 2]" 1
75 1 35 PHE QD 1 36 HIS H . . 4.640 4.474 4.448 4.541 . 0 0 "[ . 1 . 2]" 1
76 1 35 PHE H 1 36 HIS H . . 4.010 2.812 2.688 2.909 . 0 0 "[ . 1 . 2]" 1
77 1 7 LEU HB3 1 9 LYS H . . 5.130 4.420 4.367 4.490 . 0 0 "[ . 1 . 2]" 1
78 1 17 ASP H 1 19 ILE MG . . 5.500 4.835 4.808 4.863 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS H 1 9 LYS QD . . 5.170 4.375 4.269 4.506 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS H 1 10 TRP HB2 . . 5.150 5.179 5.150 5.191 0.041 4 0 "[ . 1 . 2]" 1
81 1 8 SER HB2 1 9 LYS H . . 4.530 3.861 2.592 3.948 . 0 0 "[ . 1 . 2]" 1
82 1 13 ALA HA 1 17 ASP H . . 4.810 4.112 4.074 4.165 . 0 0 "[ . 1 . 2]" 1
83 1 8 SER HB3 1 9 LYS H . . 4.530 2.646 2.514 3.930 . 0 0 "[ . 1 . 2]" 1
84 1 14 GLU HA 1 17 ASP H . . 4.000 3.557 3.514 3.595 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS H 1 10 TRP HD1 . . 3.850 2.972 2.904 3.027 . 0 0 "[ . 1 . 2]" 1
86 1 7 LEU H 1 9 LYS H . . 5.500 5.470 4.962 5.512 0.012 19 0 "[ . 1 . 2]" 1
87 1 7 LEU HB3 1 10 TRP H . . 5.280 4.719 4.655 4.834 . 0 0 "[ . 1 . 2]" 1
88 1 10 TRP H 1 15 LEU MD1 . . 5.500 3.977 3.886 4.047 . 0 0 "[ . 1 . 2]" 1
89 1 10 TRP H 1 15 LEU MD2 . . 5.500 5.314 5.111 5.484 . 0 0 "[ . 1 . 2]" 1
90 1 9 LYS HB3 1 10 TRP H . . 4.570 3.962 3.720 4.258 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS HB2 1 10 TRP H . . 4.570 4.375 4.180 4.488 . 0 0 "[ . 1 . 2]" 1
92 1 11 LYS H 1 11 LYS HB3 . . 4.010 3.682 3.650 3.704 . 0 0 "[ . 1 . 2]" 1
93 1 11 LYS H 1 14 GLU HB3 . . 4.420 4.249 4.180 4.340 . 0 0 "[ . 1 . 2]" 1
94 1 10 TRP HB3 1 11 LYS H . . 3.910 2.578 2.481 2.860 . 0 0 "[ . 1 . 2]" 1
95 1 11 LYS H 1 14 GLU H . . 4.400 4.140 4.082 4.218 . 0 0 "[ . 1 . 2]" 1
96 1 10 TRP HE3 1 11 LYS H . . 5.080 4.308 4.214 4.556 . 0 0 "[ . 1 . 2]" 1
97 1 10 TRP HD1 1 11 LYS H . . 5.130 4.730 4.660 4.791 . 0 0 "[ . 1 . 2]" 1
98 1 10 TRP H 1 11 LYS H . . 4.500 4.486 4.476 4.494 . 0 0 "[ . 1 . 2]" 1
99 1 11 LYS HB2 1 13 ALA H . . 4.520 3.199 2.994 3.643 . 0 0 "[ . 1 . 2]" 1
100 1 11 LYS HB3 1 13 ALA H . . 4.260 3.140 2.910 3.360 . 0 0 "[ . 1 . 2]" 1
101 1 12 TYR HB3 1 13 ALA H . . 4.310 3.587 2.613 4.182 . 0 0 "[ . 1 . 2]" 1
102 1 12 TYR HB2 1 13 ALA H . . 4.310 3.478 2.609 3.943 . 0 0 "[ . 1 . 2]" 1
103 1 11 LYS HA 1 13 ALA H . . 4.790 4.333 4.171 4.576 . 0 0 "[ . 1 . 2]" 1
104 1 12 TYR H 1 13 ALA H . . 4.300 2.659 2.596 2.775 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLU H 1 16 ARG H . . 4.770 4.613 4.563 4.676 . 0 0 "[ . 1 . 2]" 1
106 1 13 ALA H 1 14 GLU H . . 3.760 2.947 2.877 3.012 . 0 0 "[ . 1 . 2]" 1
107 1 15 LEU HB2 1 16 ARG H . . 4.530 2.660 2.616 2.757 . 0 0 "[ . 1 . 2]" 1
108 1 16 ARG H 1 16 ARG HB3 . . 3.930 2.635 2.457 2.771 . 0 0 "[ . 1 . 2]" 1
109 1 16 ARG H 1 16 ARG HB2 . . 3.930 2.496 2.320 3.602 . 0 0 "[ . 1 . 2]" 1
110 1 15 LEU HB3 1 16 ARG H . . 4.370 2.799 2.691 2.853 . 0 0 "[ . 1 . 2]" 1
111 1 13 ALA HA 1 16 ARG H . . 4.550 3.994 3.921 4.118 . 0 0 "[ . 1 . 2]" 1
112 1 16 ARG H 1 35 PHE QE . . 5.000 4.640 4.273 4.760 . 0 0 "[ . 1 . 2]" 1
113 1 16 ARG H 1 35 PHE HZ . . 5.380 5.043 4.679 5.379 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU H 1 16 ARG H . . 3.670 2.902 2.860 2.935 . 0 0 "[ . 1 . 2]" 1
115 1 18 THR H 1 18 THR MG . . 3.810 3.712 3.706 3.719 . 0 0 "[ . 1 . 2]" 1
116 1 17 ASP HB2 1 18 THR H . . 4.230 3.618 3.578 3.775 . 0 0 "[ . 1 . 2]" 1
117 1 17 ASP HB3 1 18 THR H . . 4.230 2.274 2.261 2.337 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU HA 1 18 THR H . . 4.450 3.994 3.979 4.027 . 0 0 "[ . 1 . 2]" 1
119 1 18 THR H 1 18 THR HG1 . . 3.910 2.702 1.742 3.342 . 0 0 "[ . 1 . 2]" 1
120 1 41 VAL MG1 1 42 TYR H . . 4.320 3.676 2.982 3.970 . 0 0 "[ . 1 . 2]" 1
121 1 41 VAL HB 1 42 TYR H . . 4.200 3.524 2.567 3.837 . 0 0 "[ . 1 . 2]" 1
122 1 19 ILE H 1 20 ASN HB3 . . 4.390 4.391 4.377 4.401 0.011 17 0 "[ . 1 . 2]" 1
123 1 42 TYR H 1 42 TYR QB . . 3.690 2.249 2.114 2.266 . 0 0 "[ . 1 . 2]" 1
124 1 40 LYS HA 1 42 TYR H . . 4.570 4.526 4.366 4.586 0.016 8 0 "[ . 1 . 2]" 1
125 1 17 ASP HA 1 19 ILE H . . 4.290 4.328 4.320 4.337 0.047 14 0 "[ . 1 . 2]" 1
126 1 18 THR HB 1 19 ILE H . . 4.000 2.751 2.734 2.764 . 0 0 "[ . 1 . 2]" 1
127 1 42 TYR H 1 43 HIS H . . 3.960 2.692 2.553 2.900 . 0 0 "[ . 1 . 2]" 1
128 1 19 ILE HG13 1 20 ASN H . . 5.350 5.271 5.259 5.284 . 0 0 "[ . 1 . 2]" 1
129 1 20 ASN H 1 21 THR MG . . 4.080 3.843 3.831 3.862 . 0 0 "[ . 1 . 2]" 1
130 1 19 ILE HB 1 20 ASN H . . 4.210 3.728 3.697 3.765 . 0 0 "[ . 1 . 2]" 1
131 1 18 THR HA 1 20 ASN H . . 4.520 4.077 4.036 4.097 . 0 0 "[ . 1 . 2]" 1
132 1 17 ASP HA 1 20 ASN H . . 4.230 3.397 3.383 3.429 . 0 0 "[ . 1 . 2]" 1
133 1 20 ASN H 1 22 SER H . . 3.940 3.950 3.927 3.958 0.018 15 0 "[ . 1 . 2]" 1
134 1 18 THR H 1 20 ASN H . . 4.130 4.012 4.002 4.021 . 0 0 "[ . 1 . 2]" 1
135 1 21 THR H 1 28 LEU MD2 . . 5.500 5.529 5.524 5.536 0.036 3 0 "[ . 1 . 2]" 1
136 1 18 THR MG 1 21 THR H . . 4.510 4.524 4.509 4.533 0.023 13 0 "[ . 1 . 2]" 1
137 1 20 ASN HB3 1 21 THR H . . 4.010 3.976 3.944 3.992 . 0 0 "[ . 1 . 2]" 1
138 1 18 THR HA 1 21 THR H . . 4.020 3.371 3.345 3.387 . 0 0 "[ . 1 . 2]" 1
139 1 21 THR H 1 22 SER HA . . 4.910 4.757 4.743 4.787 . 0 0 "[ . 1 . 2]" 1
140 1 22 SER H 1 28 LEU MD2 . . 5.440 5.184 5.155 5.209 . 0 0 "[ . 1 . 2]" 1
141 1 18 THR HA 1 22 SER H . . 3.930 2.802 2.768 2.822 . 0 0 "[ . 1 . 2]" 1
142 1 22 SER H 1 22 SER HG . . 4.500 3.942 3.246 4.377 . 0 0 "[ . 1 . 2]" 1
143 1 23 CYS H 1 28 LEU MD2 . . 5.000 4.715 4.659 4.756 . 0 0 "[ . 1 . 2]" 1
144 1 23 CYS H 1 27 LEU MD2 . . 5.040 5.059 5.052 5.067 0.027 14 0 "[ . 1 . 2]" 1
145 1 23 CYS H 1 24 ASP HB2 . . 4.090 3.722 3.713 3.730 . 0 0 "[ . 1 . 2]" 1
146 1 22 SER HB3 1 23 CYS H . . 4.400 2.491 2.451 2.539 . 0 0 "[ . 1 . 2]" 1
147 1 22 SER HB2 1 23 CYS H . . 4.400 3.889 3.860 3.922 . 0 0 "[ . 1 . 2]" 1
148 1 23 CYS H 1 24 ASP HA . . 5.340 5.098 5.093 5.102 . 0 0 "[ . 1 . 2]" 1
149 1 22 SER HG 1 23 CYS H . . 4.140 3.482 2.964 4.140 0.000 1 0 "[ . 1 . 2]" 1
150 1 24 ASP H 1 28 LEU MD1 . . 4.100 2.725 2.642 2.796 . 0 0 "[ . 1 . 2]" 1
151 1 24 ASP H 1 27 LEU HB2 . . 4.430 3.656 3.624 3.692 . 0 0 "[ . 1 . 2]" 1
152 1 24 ASP H 1 28 LEU HG . . 4.760 1.922 1.833 1.973 . 0 0 "[ . 1 . 2]" 1
153 1 24 ASP H 1 27 LEU HB3 . . 4.830 2.924 2.877 2.941 . 0 0 "[ . 1 . 2]" 1
154 1 24 ASP HB3 1 25 ILE H . . 4.590 3.816 3.767 3.839 . 0 0 "[ . 1 . 2]" 1
155 1 25 ILE MG 1 26 GLU H . . 4.130 4.060 4.056 4.063 . 0 0 "[ . 1 . 2]" 1
156 1 26 GLU H 1 27 LEU HB2 . . 4.710 4.572 4.561 4.584 . 0 0 "[ . 1 . 2]" 1
157 1 25 ILE HG13 1 26 GLU H . . 3.870 1.763 1.741 1.776 . 0 0 "[ . 1 . 2]" 1
158 1 25 ILE HG12 1 26 GLU H . . 3.980 3.356 3.350 3.363 . 0 0 "[ . 1 . 2]" 1
159 1 26 GLU H 1 27 LEU HB3 . . 5.380 5.253 5.226 5.275 . 0 0 "[ . 1 . 2]" 1
160 1 25 ILE HB 1 26 GLU H . . 3.710 3.472 3.422 3.503 . 0 0 "[ . 1 . 2]" 1
161 1 24 ASP HA 1 26 GLU H . . 4.150 4.000 3.961 4.062 . 0 0 "[ . 1 . 2]" 1
162 1 26 GLU H 1 28 LEU H . . 4.370 4.202 4.185 4.218 . 0 0 "[ . 1 . 2]" 1
163 1 27 LEU H 1 27 LEU MD1 . . 4.190 4.126 4.118 4.132 . 0 0 "[ . 1 . 2]" 1
164 1 27 LEU H 1 27 LEU MD2 . . 3.870 3.404 3.365 3.456 . 0 0 "[ . 1 . 2]" 1
165 1 27 LEU H 1 30 ALA MB . . 4.800 4.633 4.579 4.745 . 0 0 "[ . 1 . 2]" 1
166 1 27 LEU H 1 28 LEU HG . . 4.590 4.239 4.212 4.273 . 0 0 "[ . 1 . 2]" 1
167 1 27 LEU H 1 27 LEU HB3 . . 3.730 3.022 3.005 3.034 . 0 0 "[ . 1 . 2]" 1
168 1 26 GLU HB3 1 27 LEU H . . 3.980 3.772 3.755 3.792 . 0 0 "[ . 1 . 2]" 1
169 1 26 GLU HB2 1 27 LEU H . . 4.170 2.369 2.344 2.392 . 0 0 "[ . 1 . 2]" 1
170 1 24 ASP HB3 1 27 LEU H . . 4.430 1.978 1.940 2.004 . 0 0 "[ . 1 . 2]" 1
171 1 27 LEU HB2 1 28 LEU H . . 4.070 3.349 3.337 3.365 . 0 0 "[ . 1 . 2]" 1
172 1 28 LEU H 1 28 LEU HB2 . . 4.070 2.657 2.642 2.666 . 0 0 "[ . 1 . 2]" 1
173 1 28 LEU H 1 29 ALA MB . . 4.630 4.366 4.349 4.390 . 0 0 "[ . 1 . 2]" 1
174 1 28 LEU H 1 28 LEU HG . . 3.680 1.862 1.846 1.884 . 0 0 "[ . 1 . 2]" 1
175 1 27 LEU HB3 1 28 LEU H . . 3.740 2.368 2.349 2.384 . 0 0 "[ . 1 . 2]" 1
176 1 24 ASP HB3 1 28 LEU H . . 4.790 3.838 3.805 3.864 . 0 0 "[ . 1 . 2]" 1
177 1 26 GLU HA 1 28 LEU H . . 4.960 4.713 4.703 4.727 . 0 0 "[ . 1 . 2]" 1
178 1 28 LEU MD2 1 29 ALA H . . 4.450 4.442 4.420 4.456 0.006 2 0 "[ . 1 . 2]" 1
179 1 28 LEU MD1 1 29 ALA H . . 4.640 4.321 4.289 4.360 . 0 0 "[ . 1 . 2]" 1
180 1 28 LEU HB2 1 29 ALA H . . 3.770 2.348 2.316 2.393 . 0 0 "[ . 1 . 2]" 1
181 1 28 LEU HB3 1 29 ALA H . . 3.880 3.616 3.576 3.660 . 0 0 "[ . 1 . 2]" 1
182 1 26 GLU HA 1 29 ALA H . . 3.900 3.699 3.642 3.744 . 0 0 "[ . 1 . 2]" 1
183 1 27 LEU H 1 29 ALA H . . 4.390 4.353 4.301 4.390 0.000 5 0 "[ . 1 . 2]" 1
184 1 28 LEU H 1 29 ALA H . . 3.520 2.765 2.741 2.790 . 0 0 "[ . 1 . 2]" 1
185 1 30 ALA H 1 31 CYS HB3 . . 5.500 5.050 4.961 5.143 . 0 0 "[ . 1 . 2]" 1
186 1 27 LEU HA 1 30 ALA H . . 4.010 3.959 3.846 4.012 0.002 2 0 "[ . 1 . 2]" 1
187 1 7 LEU MD1 1 31 CYS H . . 4.520 3.961 3.850 4.038 . 0 0 "[ . 1 . 2]" 1
188 1 28 LEU MD2 1 31 CYS H . . 5.040 4.794 4.663 4.871 . 0 0 "[ . 1 . 2]" 1
189 1 31 CYS H 1 31 CYS HB3 . . 3.920 2.740 2.650 2.820 . 0 0 "[ . 1 . 2]" 1
190 1 31 CYS H 1 32 ARG H . . 4.030 2.830 2.767 2.879 . 0 0 "[ . 1 . 2]" 1
191 1 30 ALA MB 1 32 ARG H . . 4.880 4.609 4.494 4.677 . 0 0 "[ . 1 . 2]" 1
192 1 29 ALA MB 1 32 ARG H . . 5.100 4.793 4.697 4.843 . 0 0 "[ . 1 . 2]" 1
193 1 31 CYS HB2 1 32 ARG H . . 4.240 3.632 3.589 3.715 . 0 0 "[ . 1 . 2]" 1
194 1 31 CYS HB3 1 32 ARG H . . 4.420 2.347 2.293 2.460 . 0 0 "[ . 1 . 2]" 1
195 1 30 ALA H 1 32 ARG H . . 4.800 4.304 4.160 4.384 . 0 0 "[ . 1 . 2]" 1
196 1 33 GLU H 1 33 GLU QB . . 3.710 2.350 2.302 2.378 . 0 0 "[ . 1 . 2]" 1
197 1 30 ALA HA 1 33 GLU H . . 3.810 3.475 3.394 3.594 . 0 0 "[ . 1 . 2]" 1
198 1 32 ARG H 1 33 GLU H . . 3.990 2.766 2.705 2.829 . 0 0 "[ . 1 . 2]" 1
199 1 7 LEU MD1 1 34 GLU H . . 4.810 4.545 4.359 4.779 . 0 0 "[ . 1 . 2]" 1
200 1 34 GLU H 1 34 GLU HB3 . . 3.950 3.512 2.337 3.586 . 0 0 "[ . 1 . 2]" 1
201 1 34 GLU H 1 34 GLU HG3 . . 4.300 3.631 3.456 4.400 0.100 13 0 "[ . 1 . 2]" 1
202 1 34 GLU H 1 34 GLU HB2 . . 3.950 2.392 2.258 2.700 . 0 0 "[ . 1 . 2]" 1
203 1 34 GLU H 1 34 GLU HG2 . . 4.300 2.561 2.153 4.325 0.025 13 0 "[ . 1 . 2]" 1
204 1 34 GLU H 1 35 PHE HB2 . . 4.570 4.466 4.356 4.559 . 0 0 "[ . 1 . 2]" 1
205 1 31 CYS HA 1 34 GLU H . . 4.420 3.557 3.479 3.650 . 0 0 "[ . 1 . 2]" 1
206 1 30 ALA HA 1 34 GLU H . . 4.240 4.146 3.917 4.239 . 0 0 "[ . 1 . 2]" 1
207 1 34 GLU H 1 35 PHE H . . 3.670 2.681 2.535 2.775 . 0 0 "[ . 1 . 2]" 1
208 1 35 PHE H 1 35 PHE HB2 . . 4.040 2.093 2.065 2.129 . 0 0 "[ . 1 . 2]" 1
209 1 35 PHE H 1 35 PHE QD . . 4.470 2.780 2.561 3.176 . 0 0 "[ . 1 . 2]" 1
210 1 38 ARG H 1 39 LEU H . . 3.810 2.752 2.640 2.936 . 0 0 "[ . 1 . 2]" 1
211 1 37 ARG H 1 37 ARG HG3 . . 4.690 4.393 4.300 4.471 . 0 0 "[ . 1 . 2]" 1
212 1 37 ARG H 1 37 ARG HG2 . . 4.690 4.464 4.361 4.519 . 0 0 "[ . 1 . 2]" 1
213 1 34 GLU HA 1 37 ARG H . . 4.790 3.587 3.444 3.706 . 0 0 "[ . 1 . 2]" 1
214 1 39 LEU H 1 39 LEU HG . . 4.600 3.324 2.132 4.581 . 0 0 "[ . 1 . 2]" 1
215 1 36 HIS HA 1 39 LEU H . . 4.450 3.618 3.406 3.823 . 0 0 "[ . 1 . 2]" 1
216 1 43 HIS H 1 43 HIS QB . . 3.780 2.284 2.241 2.369 . 0 0 "[ . 1 . 2]" 1
217 1 43 HIS QB 1 45 TRP H . . 5.430 4.850 4.456 5.344 . 0 0 "[ . 1 . 2]" 1
218 1 42 TYR HA 1 45 TRP H . . 4.180 3.757 3.469 4.180 0.000 15 0 "[ . 1 . 2]" 1
219 1 46 LYS H 1 46 LYS QG . . 4.180 3.164 1.708 4.200 0.020 20 0 "[ . 1 . 2]" 1
220 1 46 LYS H 1 46 LYS HB3 . . 3.920 2.976 2.378 3.989 0.069 17 0 "[ . 1 . 2]" 1
221 1 46 LYS H 1 46 LYS HB2 . . 3.920 2.946 2.267 3.601 . 0 0 "[ . 1 . 2]" 1
222 1 45 TRP HB3 1 46 LYS H . . 4.520 3.393 2.270 4.080 . 0 0 "[ . 1 . 2]" 1
223 1 45 TRP HB2 1 46 LYS H . . 4.520 3.482 2.150 4.474 . 0 0 "[ . 1 . 2]" 1
224 1 46 LYS H 1 47 SER H . . 3.830 3.117 2.187 3.838 0.008 3 0 "[ . 1 . 2]" 1
225 1 15 LEU H 1 15 LEU MD1 . . 4.610 3.501 3.426 3.631 . 0 0 "[ . 1 . 2]" 1
226 1 13 ALA MB 1 15 LEU H . . 4.480 4.256 4.158 4.342 . 0 0 "[ . 1 . 2]" 1
227 1 15 LEU H 1 15 LEU HG . . 3.840 3.074 2.982 3.258 . 0 0 "[ . 1 . 2]" 1
228 1 14 GLU HB3 1 15 LEU H . . 4.310 3.964 3.942 3.998 . 0 0 "[ . 1 . 2]" 1
229 1 10 TRP HB3 1 15 LEU H . . 4.320 4.004 3.942 4.072 . 0 0 "[ . 1 . 2]" 1
230 1 10 TRP HE3 1 15 LEU H . . 4.000 3.663 3.596 3.736 . 0 0 "[ . 1 . 2]" 1
231 1 15 LEU H 1 17 ASP H . . 4.550 4.259 4.170 4.311 . 0 0 "[ . 1 . 2]" 1
232 1 50 LYS H 1 50 LYS QG . . 4.360 3.021 1.908 4.281 . 0 0 "[ . 1 . 2]" 1
233 1 50 LYS H 1 50 LYS HB3 . . 3.960 3.462 2.729 3.981 0.021 8 0 "[ . 1 . 2]" 1
234 1 50 LYS H 1 51 LYS H . . 4.110 3.261 1.477 4.123 0.013 1 0 "[ . 1 . 2]" 1
235 1 51 LYS H 1 51 LYS QG . . 4.090 2.784 1.804 4.113 0.023 5 0 "[ . 1 . 2]" 1
236 1 3 LYS H 1 3 LYS HG3 . . 4.100 2.697 1.853 3.470 . 0 0 "[ . 1 . 2]" 1
237 1 5 TYR QD 1 6 ASP H . . 3.720 3.597 3.368 3.736 0.016 12 0 "[ . 1 . 2]" 1
238 1 11 LYS HB2 1 14 GLU H . . 3.750 2.594 2.479 2.769 . 0 0 "[ . 1 . 2]" 1
239 1 14 GLU H 1 14 GLU HG3 . . 4.060 3.347 3.300 3.376 . 0 0 "[ . 1 . 2]" 1
240 1 14 GLU H 1 14 GLU HG2 . . 4.060 2.024 1.962 2.135 . 0 0 "[ . 1 . 2]" 1
241 1 14 GLU H 1 14 GLU HB3 . . 3.700 2.538 2.505 2.562 . 0 0 "[ . 1 . 2]" 1
242 1 10 TRP HB3 1 14 GLU H . . 5.480 5.487 5.447 5.502 0.022 16 0 "[ . 1 . 2]" 1
243 1 11 LYS HA 1 14 GLU H . . 5.220 5.050 5.003 5.120 . 0 0 "[ . 1 . 2]" 1
244 1 15 LEU MD2 1 16 ARG H . . 4.810 4.387 4.292 4.429 . 0 0 "[ . 1 . 2]" 1
245 1 15 LEU MD1 1 16 ARG H . . 4.810 4.402 4.384 4.434 . 0 0 "[ . 1 . 2]" 1
246 1 16 ARG H 1 17 ASP HB2 . . 5.500 4.985 4.844 5.264 . 0 0 "[ . 1 . 2]" 1
247 1 16 ARG H 1 17 ASP HB3 . . 5.500 5.063 4.855 5.132 . 0 0 "[ . 1 . 2]" 1
248 1 21 THR H 1 21 THR HB . . 3.800 3.724 3.711 3.734 . 0 0 "[ . 1 . 2]" 1
249 1 31 CYS H 1 33 GLU H . . 5.020 4.226 4.052 4.292 . 0 0 "[ . 1 . 2]" 1
250 1 34 GLU H 1 37 ARG H . . 4.970 4.683 4.528 4.827 . 0 0 "[ . 1 . 2]" 1
251 1 34 GLU H 1 35 PHE QD . . 5.430 4.937 4.741 5.246 . 0 0 "[ . 1 . 2]" 1
252 1 40 LYS HA 1 43 HIS H . . 4.920 3.728 3.411 4.038 . 0 0 "[ . 1 . 2]" 1
253 1 51 LYS HA 1 52 ARG H . . 3.050 2.430 2.173 2.885 . 0 0 "[ . 1 . 2]" 1
254 1 43 HIS QB 1 44 ALA H . . 3.990 2.777 2.608 3.028 . 0 0 "[ . 1 . 2]" 1
255 1 43 HIS H 1 44 ALA H . . 4.300 2.471 2.254 2.796 . 0 0 "[ . 1 . 2]" 1
256 1 41 VAL H 1 41 VAL MG2 . . 3.930 1.994 1.803 2.294 . 0 0 "[ . 1 . 2]" 1
257 1 41 VAL H 1 41 VAL MG1 . . 3.930 2.386 1.913 3.735 . 0 0 "[ . 1 . 2]" 1
258 1 40 LYS H 1 40 LYS HB3 . . 4.180 2.734 2.455 3.588 . 0 0 "[ . 1 . 2]" 1
259 1 40 LYS H 1 40 LYS HB2 . . 4.180 2.441 2.214 2.652 . 0 0 "[ . 1 . 2]" 1
260 1 40 LYS H 1 40 LYS HG2 . . 5.210 4.368 3.256 4.665 . 0 0 "[ . 1 . 2]" 1
261 1 40 LYS HG2 1 41 VAL H . . 5.500 4.011 3.316 4.928 . 0 0 "[ . 1 . 2]" 1
262 1 41 VAL H 1 44 ALA MB . . 5.500 4.397 4.140 4.679 . 0 0 "[ . 1 . 2]" 1
263 1 38 ARG HA 1 41 VAL H . . 4.420 3.776 3.694 3.847 . 0 0 "[ . 1 . 2]" 1
264 1 7 LEU MD2 1 10 TRP HE1 . . 3.630 2.630 2.368 2.700 . 0 0 "[ . 1 . 2]" 1
265 1 10 TRP HB2 1 10 TRP HE1 . . 5.160 4.983 4.974 4.991 . 0 0 "[ . 1 . 2]" 1
266 1 7 LEU HA 1 10 TRP HE1 . . 4.230 3.068 2.750 3.245 . 0 0 "[ . 1 . 2]" 1
267 1 7 LEU H 1 8 SER HB2 . . 5.500 5.463 5.307 5.534 0.034 2 0 "[ . 1 . 2]" 1
268 1 7 LEU H 1 7 LEU HB3 . . 4.140 3.826 3.810 3.917 . 0 0 "[ . 1 . 2]" 1
269 1 27 LEU HA 1 31 CYS H . . 4.430 3.922 3.833 4.007 . 0 0 "[ . 1 . 2]" 1
270 1 19 ILE H 1 21 THR H . . 4.500 3.815 3.801 3.832 . 0 0 "[ . 1 . 2]" 1
271 1 41 VAL MG2 1 42 TYR H . . 4.320 2.379 1.901 3.980 . 0 0 "[ . 1 . 2]" 1
272 1 26 GLU H 1 26 GLU HB2 . . 3.660 2.842 2.822 2.862 . 0 0 "[ . 1 . 2]" 1
273 1 26 GLU H 1 29 ALA MB . . 4.600 4.358 4.327 4.388 . 0 0 "[ . 1 . 2]" 1
274 1 16 ARG H 1 17 ASP H . . 3.570 2.761 2.685 2.794 . 0 0 "[ . 1 . 2]" 1
275 1 8 SER H 1 10 TRP HD1 . . 4.940 4.752 4.683 4.850 . 0 0 "[ . 1 . 2]" 1
276 1 41 VAL H 1 42 TYR H . . 3.620 2.627 2.507 2.892 . 0 0 "[ . 1 . 2]" 1
277 1 28 LEU HG 1 29 ALA H . . 4.170 3.892 3.870 3.916 . 0 0 "[ . 1 . 2]" 1
278 1 11 LYS H 1 11 LYS HG3 . . 3.990 3.456 3.057 3.711 . 0 0 "[ . 1 . 2]" 1
279 1 14 GLU H 1 17 ASP H . . 4.920 4.860 4.801 4.912 . 0 0 "[ . 1 . 2]" 1
280 1 27 LEU MD1 1 30 ALA H . . 4.690 4.632 4.476 4.697 0.007 5 0 "[ . 1 . 2]" 1
281 1 50 LYS H 1 50 LYS HB2 . . 3.960 2.929 2.314 3.963 0.003 13 0 "[ . 1 . 2]" 1
282 1 13 ALA H 1 15 LEU H . . 4.600 4.015 3.923 4.142 . 0 0 "[ . 1 . 2]" 1
283 1 40 LYS H 1 40 LYS HG3 . . 5.210 4.233 2.286 4.612 . 0 0 "[ . 1 . 2]" 1
284 1 40 LYS HG3 1 41 VAL H . . 5.500 4.426 3.864 4.829 . 0 0 "[ . 1 . 2]" 1
285 1 20 ASN HB3 1 20 ASN HD22 . . 3.670 3.688 3.678 3.693 0.023 15 0 "[ . 1 . 2]" 1
286 1 2 THR HA 1 2 THR MG . . 3.240 2.562 2.137 3.195 . 0 0 "[ . 1 . 2]" 1
287 1 15 LEU HA 1 15 LEU MD1 . . 4.020 3.705 3.691 3.714 . 0 0 "[ . 1 . 2]" 1
288 1 9 LYS QD 1 10 TRP HA . . 4.150 3.774 3.356 4.108 . 0 0 "[ . 1 . 2]" 1
289 1 4 LYS QB 1 5 TYR HA . . 4.400 4.191 4.097 4.440 0.040 17 0 "[ . 1 . 2]" 1
290 1 17 ASP HA 1 20 ASN HB3 . . 3.650 3.500 3.472 3.522 . 0 0 "[ . 1 . 2]" 1
291 1 17 ASP HA 1 21 THR MG . . 4.130 2.854 2.810 2.909 . 0 0 "[ . 1 . 2]" 1
292 1 20 ASN HA 1 21 THR MG . . 4.790 4.641 4.628 4.656 . 0 0 "[ . 1 . 2]" 1
293 1 37 ARG QB 1 37 ARG HD3 . . 3.720 2.510 2.274 3.273 . 0 0 "[ . 1 . 2]" 1
294 1 33 GLU QB 1 33 GLU HG2 . . 2.690 2.422 2.383 2.445 . 0 0 "[ . 1 . 2]" 1
295 1 33 GLU QB 1 33 GLU HG3 . . 2.690 2.223 2.191 2.349 . 0 0 "[ . 1 . 2]" 1
296 1 30 ALA HA 1 33 GLU QB . . 3.240 2.499 2.337 2.610 . 0 0 "[ . 1 . 2]" 1
297 1 27 LEU HA 1 27 LEU MD2 . . 3.510 2.319 2.296 2.358 . 0 0 "[ . 1 . 2]" 1
298 1 24 ASP HB3 1 27 LEU MD2 . . 3.890 3.719 3.690 3.762 . 0 0 "[ . 1 . 2]" 1
299 1 27 LEU HB3 1 27 LEU MD2 . . 3.460 3.181 3.178 3.183 . 0 0 "[ . 1 . 2]" 1
300 1 27 LEU HB2 1 27 LEU MD2 . . 3.010 2.139 2.133 2.143 . 0 0 "[ . 1 . 2]" 1
301 1 9 LYS HA 1 9 LYS HG2 . . 3.920 2.737 2.156 3.741 . 0 0 "[ . 1 . 2]" 1
302 1 9 LYS HA 1 9 LYS HG3 . . 3.920 3.441 3.205 3.571 . 0 0 "[ . 1 . 2]" 1
303 1 10 TRP HZ2 1 27 LEU MD1 . . 5.110 5.131 5.125 5.137 0.027 20 0 "[ . 1 . 2]" 1
304 1 10 TRP HH2 1 27 LEU MD1 . . 3.650 3.646 3.603 3.659 0.009 6 0 "[ . 1 . 2]" 1
305 1 5 TYR QE 1 27 LEU MD1 . . 3.640 3.696 3.679 3.712 0.072 11 0 "[ . 1 . 2]" 1
306 1 27 LEU HA 1 27 LEU MD1 . . 3.000 2.062 2.044 2.074 . 0 0 "[ . 1 . 2]" 1
307 1 27 LEU HB3 1 27 LEU MD1 . . 3.590 2.500 2.489 2.513 . 0 0 "[ . 1 . 2]" 1
308 1 7 LEU MD2 1 27 LEU MD1 . . 3.900 3.927 3.915 3.938 0.038 12 0 "[ . 1 . 2]" 1
309 1 7 LEU MD2 1 10 TRP HH2 . . 3.960 3.970 3.822 3.996 0.036 13 0 "[ . 1 . 2]" 1
310 1 7 LEU HA 1 7 LEU MD2 . . 3.080 2.240 2.157 2.261 . 0 0 "[ . 1 . 2]" 1
311 1 7 LEU MD2 1 27 LEU MD2 . . 4.160 3.795 3.756 3.942 . 0 0 "[ . 1 . 2]" 1
312 1 7 LEU HB3 1 7 LEU MD2 . . 3.030 2.234 2.214 2.325 . 0 0 "[ . 1 . 2]" 1
313 1 26 GLU HA 1 29 ALA MB . . 2.980 2.455 2.392 2.519 . 0 0 "[ . 1 . 2]" 1
314 1 27 LEU HA 1 30 ALA MB . . 3.300 3.089 3.014 3.199 . 0 0 "[ . 1 . 2]" 1
315 1 5 TYR QB 1 30 ALA MB . . 3.760 3.235 2.797 3.501 . 0 0 "[ . 1 . 2]" 1
316 1 19 ILE HA 1 19 ILE MG . . 3.270 3.085 3.076 3.097 . 0 0 "[ . 1 . 2]" 1
317 1 19 ILE HA 1 19 ILE HG13 . . 3.410 2.445 2.420 2.477 . 0 0 "[ . 1 . 2]" 1
318 1 5 TYR HA 1 7 LEU MD2 . . 4.870 4.779 4.593 4.890 0.020 4 0 "[ . 1 . 2]" 1
319 1 5 TYR HA 1 7 LEU MD1 . . 5.500 5.456 5.290 5.516 0.016 1 0 "[ . 1 . 2]" 1
320 1 17 ASP HA 1 19 ILE MG . . 4.790 4.715 4.696 4.734 . 0 0 "[ . 1 . 2]" 1
321 1 9 LYS HA 1 9 LYS QE . . 4.680 4.056 3.620 4.481 . 0 0 "[ . 1 . 2]" 1
322 1 19 ILE MG 1 20 ASN HA . . 3.920 3.228 3.202 3.247 . 0 0 "[ . 1 . 2]" 1
323 1 5 TYR QB 1 7 LEU MD2 . . 3.760 3.774 3.697 3.789 0.029 19 0 "[ . 1 . 2]" 1
324 1 7 LEU MD2 1 30 ALA MB . . 3.720 3.628 3.518 3.684 . 0 0 "[ . 1 . 2]" 1
325 1 24 ASP HB3 1 27 LEU HB2 . . 4.770 2.282 2.272 2.292 . 0 0 "[ . 1 . 2]" 1
326 1 10 TRP HZ2 1 27 LEU MD2 . . 4.740 4.624 4.570 4.731 . 0 0 "[ . 1 . 2]" 1
327 1 5 TYR QE 1 7 LEU MD2 . . 4.500 4.177 4.004 4.351 . 0 0 "[ . 1 . 2]" 1
328 1 5 TYR QB 1 7 LEU MD1 . . 4.410 3.421 3.216 3.601 . 0 0 "[ . 1 . 2]" 1
329 1 29 ALA HA 1 32 ARG QD . . 4.050 3.444 2.654 4.071 0.021 8 0 "[ . 1 . 2]" 1
330 1 29 ALA MB 1 30 ALA H . . 2.890 2.361 2.303 2.444 . 0 0 "[ . 1 . 2]" 1
331 1 7 LEU HB3 1 10 TRP HB2 . . 5.500 3.751 3.659 3.844 . 0 0 "[ . 1 . 2]" 1
332 1 10 TRP HB3 1 15 LEU MD1 . . 5.500 2.878 2.839 2.916 . 0 0 "[ . 1 . 2]" 1
333 1 10 TRP HB2 1 15 LEU MD1 . . 5.500 3.006 2.905 3.064 . 0 0 "[ . 1 . 2]" 1
334 1 7 LEU HA 1 7 LEU MD1 . . 4.270 3.913 3.881 3.947 . 0 0 "[ . 1 . 2]" 1
335 1 7 LEU HA 1 9 LYS H . . 5.000 3.636 3.405 3.703 . 0 0 "[ . 1 . 2]" 1
336 1 7 LEU MD1 1 27 LEU MD1 . . 3.710 3.713 3.661 3.729 0.019 15 0 "[ . 1 . 2]" 1
337 1 7 LEU HB3 1 7 LEU MD1 . . 3.200 2.471 2.415 2.496 . 0 0 "[ . 1 . 2]" 1
338 1 7 LEU MD1 1 31 CYS HB2 . . 4.840 4.645 4.548 4.735 . 0 0 "[ . 1 . 2]" 1
339 1 7 LEU MD1 1 31 CYS HA . . 3.630 3.618 3.548 3.646 0.016 7 0 "[ . 1 . 2]" 1
340 1 7 LEU MD1 1 30 ALA HA . . 4.180 3.712 3.612 3.793 . 0 0 "[ . 1 . 2]" 1
341 1 7 LEU MD1 1 10 TRP HE3 . . 5.500 5.026 4.878 5.166 . 0 0 "[ . 1 . 2]" 1
342 1 7 LEU MD1 1 10 TRP HZ3 . . 5.500 5.445 5.317 5.504 0.004 1 0 "[ . 1 . 2]" 1
343 1 7 LEU MD1 1 30 ALA H . . 4.690 4.613 4.570 4.683 . 0 0 "[ . 1 . 2]" 1
344 1 7 LEU MD2 1 8 SER H . . 4.470 4.403 4.350 4.511 0.041 2 0 "[ . 1 . 2]" 1
345 1 7 LEU H 1 7 LEU MD2 . . 3.820 3.664 3.569 3.743 . 0 0 "[ . 1 . 2]" 1
346 1 6 ASP HA 1 7 LEU MD2 . . 4.760 4.461 4.357 4.557 . 0 0 "[ . 1 . 2]" 1
347 1 6 ASP HA 1 7 LEU MD1 . . 5.270 4.935 4.852 5.020 . 0 0 "[ . 1 . 2]" 1
348 1 6 ASP HA 1 7 LEU HG . . 3.940 3.624 3.522 3.719 . 0 0 "[ . 1 . 2]" 1
349 1 6 ASP HA 1 7 LEU HB2 . . 4.870 4.838 4.783 4.875 0.005 2 0 "[ . 1 . 2]" 1
350 1 6 ASP HA 1 7 LEU H . . 3.090 2.155 2.145 2.160 . 0 0 "[ . 1 . 2]" 1
351 1 6 ASP HB2 1 7 LEU H . . 4.620 4.373 3.647 4.506 . 0 0 "[ . 1 . 2]" 1
352 1 6 ASP HB3 1 7 LEU H . . 4.620 4.265 3.706 4.402 . 0 0 "[ . 1 . 2]" 1
353 1 5 TYR HA 1 6 ASP H . . 3.010 2.261 2.197 2.330 . 0 0 "[ . 1 . 2]" 1
354 1 10 TRP HA 1 11 LYS H . . 3.180 2.404 2.303 2.444 . 0 0 "[ . 1 . 2]" 1
355 1 10 TRP HA 1 10 TRP HE1 . . 4.850 4.518 4.491 4.544 . 0 0 "[ . 1 . 2]" 1
356 1 7 LEU HB3 1 10 TRP HA . . 5.500 5.418 5.346 5.504 0.004 20 0 "[ . 1 . 2]" 1
357 1 10 TRP HA 1 14 GLU HG2 . . 4.880 4.505 4.350 4.619 . 0 0 "[ . 1 . 2]" 1
358 1 10 TRP HB3 1 14 GLU HB3 . . 5.500 5.510 5.494 5.526 0.026 20 0 "[ . 1 . 2]" 1
359 1 13 ALA H 1 13 ALA MB . . 3.180 2.213 2.156 2.230 . 0 0 "[ . 1 . 2]" 1
360 1 12 TYR QD 1 13 ALA MB . . 3.940 3.503 2.880 3.949 0.009 1 0 "[ . 1 . 2]" 1
361 1 13 ALA MB 1 14 GLU H . . 3.590 2.160 2.040 2.250 . 0 0 "[ . 1 . 2]" 1
362 1 11 LYS HB3 1 13 ALA MB . . 4.360 3.657 3.456 3.923 . 0 0 "[ . 1 . 2]" 1
363 1 13 ALA MB 1 14 GLU HB3 . . 4.730 3.797 3.710 3.879 . 0 0 "[ . 1 . 2]" 1
364 1 14 GLU HA 1 18 THR H . . 4.600 3.333 3.254 3.372 . 0 0 "[ . 1 . 2]" 1
365 1 14 GLU HA 1 17 ASP HB2 . . 4.370 3.368 3.196 3.679 . 0 0 "[ . 1 . 2]" 1
366 1 14 GLU HA 1 17 ASP HB3 . . 4.370 2.499 2.346 2.569 . 0 0 "[ . 1 . 2]" 1
367 1 10 TRP HE3 1 14 GLU HB3 . . 5.500 5.065 5.031 5.097 . 0 0 "[ . 1 . 2]" 1
368 1 10 TRP HZ3 1 14 GLU HB3 . . 5.500 5.491 5.415 5.507 0.007 4 0 "[ . 1 . 2]" 1
369 1 26 GLU H 1 26 GLU HB3 . . 3.770 3.561 3.556 3.567 . 0 0 "[ . 1 . 2]" 1
370 1 10 TRP HZ3 1 14 GLU HB2 . . 5.290 3.787 3.700 3.824 . 0 0 "[ . 1 . 2]" 1
371 1 14 GLU HB2 1 15 LEU H . . 4.830 3.805 3.736 3.892 . 0 0 "[ . 1 . 2]" 1
372 1 14 GLU HB2 1 18 THR H . . 5.480 4.308 4.247 4.368 . 0 0 "[ . 1 . 2]" 1
373 1 11 LYS H 1 14 GLU HB2 . . 4.730 4.624 4.514 4.740 0.010 20 0 "[ . 1 . 2]" 1
374 1 14 GLU HA 1 14 GLU HG3 . . 3.940 3.742 3.691 3.768 . 0 0 "[ . 1 . 2]" 1
375 1 14 GLU HA 1 14 GLU HG2 . . 3.940 3.671 3.642 3.745 . 0 0 "[ . 1 . 2]" 1
376 1 17 ASP HA 1 20 ASN HD21 . . 3.680 2.031 2.007 2.052 . 0 0 "[ . 1 . 2]" 1
377 1 18 THR HB 1 19 ILE HG13 . . 5.100 4.886 4.837 4.947 . 0 0 "[ . 1 . 2]" 1
378 1 18 THR HA 1 27 LEU MD2 . . 5.500 5.510 5.499 5.521 0.021 12 0 "[ . 1 . 2]" 1
379 1 10 TRP HH2 1 18 THR HA . . 5.480 5.501 5.491 5.512 0.032 20 0 "[ . 1 . 2]" 1
380 1 7 LEU MD2 1 18 THR MG . . 4.930 4.833 4.702 4.863 . 0 0 "[ . 1 . 2]" 1
381 1 18 THR MG 1 27 LEU MD1 . . 3.470 2.022 2.018 2.027 . 0 0 "[ . 1 . 2]" 1
382 1 18 THR MG 1 27 LEU MD2 . . 2.790 2.738 2.707 2.793 0.003 12 0 "[ . 1 . 2]" 1
383 1 18 THR MG 1 22 SER HB3 . . 3.440 3.082 3.033 3.116 . 0 0 "[ . 1 . 2]" 1
384 1 18 THR HA 1 18 THR MG . . 3.340 2.266 2.255 2.278 . 0 0 "[ . 1 . 2]" 1
385 1 18 THR MG 1 22 SER HB2 . . 3.440 2.186 2.159 2.198 . 0 0 "[ . 1 . 2]" 1
386 1 10 TRP HZ3 1 18 THR MG . . 3.380 2.269 2.255 2.287 . 0 0 "[ . 1 . 2]" 1
387 1 18 THR MG 1 19 ILE H . . 4.070 3.815 3.786 3.834 . 0 0 "[ . 1 . 2]" 1
388 1 18 THR MG 1 22 SER H . . 3.760 3.441 3.417 3.454 . 0 0 "[ . 1 . 2]" 1
389 1 25 ILE HG13 1 26 GLU HA . . 4.510 4.011 3.986 4.050 . 0 0 "[ . 1 . 2]" 1
390 1 24 ASP HA 1 25 ILE HG12 . . 4.490 3.993 3.979 4.008 . 0 0 "[ . 1 . 2]" 1
391 1 25 ILE H 1 25 ILE HG12 . . 3.580 2.198 2.183 2.213 . 0 0 "[ . 1 . 2]" 1
392 1 25 ILE HG13 1 25 ILE MG . . 3.230 3.135 3.130 3.140 . 0 0 "[ . 1 . 2]" 1
393 1 25 ILE HG12 1 25 ILE MG . . 2.980 2.204 2.179 2.220 . 0 0 "[ . 1 . 2]" 1
394 1 25 ILE HA 1 25 ILE MG . . 3.040 2.239 2.214 2.265 . 0 0 "[ . 1 . 2]" 1
395 1 24 ASP HA 1 25 ILE MG . . 4.210 4.023 4.013 4.043 . 0 0 "[ . 1 . 2]" 1
396 1 25 ILE H 1 25 ILE MG . . 3.150 2.283 2.269 2.307 . 0 0 "[ . 1 . 2]" 1
397 1 25 ILE HB 1 25 ILE MD . . 3.050 2.218 2.214 2.221 . 0 0 "[ . 1 . 2]" 1
398 1 25 ILE MD 1 26 GLU HG3 . . 4.050 3.238 3.147 3.283 . 0 0 "[ . 1 . 2]" 1
399 1 25 ILE MD 1 26 GLU HB3 . . 4.630 4.650 4.647 4.655 0.025 13 0 "[ . 1 . 2]" 1
400 1 25 ILE HA 1 25 ILE MD . . 4.190 4.118 4.116 4.120 . 0 0 "[ . 1 . 2]" 1
401 1 25 ILE MD 1 26 GLU HA . . 4.120 4.110 4.091 4.123 0.003 2 0 "[ . 1 . 2]" 1
402 1 25 ILE MD 1 26 GLU H . . 4.070 3.310 3.262 3.338 . 0 0 "[ . 1 . 2]" 1
403 1 25 ILE H 1 25 ILE MD . . 3.820 3.751 3.736 3.762 . 0 0 "[ . 1 . 2]" 1
404 1 20 ASN HA 1 20 ASN HD21 . . 4.020 3.843 3.826 3.884 . 0 0 "[ . 1 . 2]" 1
405 1 20 ASN HA 1 22 SER H . . 5.010 5.024 5.017 5.031 0.021 13 0 "[ . 1 . 2]" 1
406 1 36 HIS HA 1 39 LEU HB2 . . 4.440 2.893 2.465 3.557 . 0 0 "[ . 1 . 2]" 1
407 1 22 SER HA 1 23 CYS HB2 . . 4.460 4.225 4.126 4.290 . 0 0 "[ . 1 . 2]" 1
408 1 22 SER HB2 1 27 LEU MD2 . . 4.130 4.044 4.007 4.061 . 0 0 "[ . 1 . 2]" 1
409 1 24 ASP HB3 1 27 LEU HA . . 4.760 4.340 4.315 4.360 . 0 0 "[ . 1 . 2]" 1
410 1 24 ASP HB2 1 27 LEU MD2 . . 4.080 4.086 4.081 4.093 0.013 13 0 "[ . 1 . 2]" 1
411 1 24 ASP HB2 1 27 LEU HB2 . . 4.160 2.912 2.864 2.950 . 0 0 "[ . 1 . 2]" 1
412 1 24 ASP HB2 1 27 LEU HB3 . . 4.350 3.833 3.726 3.878 . 0 0 "[ . 1 . 2]" 1
413 1 19 ILE MD 1 19 ILE MG . . 3.260 1.943 1.928 1.954 . 0 0 "[ . 1 . 2]" 1
414 1 19 ILE MG 1 31 CYS HB3 . . 5.090 5.083 5.014 5.102 0.012 14 0 "[ . 1 . 2]" 1
415 1 16 ARG HA 1 19 ILE MG . . 3.550 2.538 2.455 2.571 . 0 0 "[ . 1 . 2]" 1
416 1 19 ILE MG 1 20 ASN HD21 . . 4.300 4.307 4.303 4.315 0.015 15 0 "[ . 1 . 2]" 1
417 1 19 ILE H 1 19 ILE MG . . 3.880 2.908 2.864 2.940 . 0 0 "[ . 1 . 2]" 1
418 1 26 GLU HA 1 26 GLU HG2 . . 3.030 2.691 2.667 2.713 . 0 0 "[ . 1 . 2]" 1
419 1 26 GLU HA 1 26 GLU HG3 . . 3.820 3.613 3.607 3.620 . 0 0 "[ . 1 . 2]" 1
420 1 5 TYR QE 1 26 GLU HG3 . . 3.870 3.728 3.637 3.793 . 0 0 "[ . 1 . 2]" 1
421 1 26 GLU HG3 1 27 LEU H . . 4.080 3.497 3.457 3.550 . 0 0 "[ . 1 . 2]" 1
422 1 26 GLU HG2 1 27 LEU H . . 4.300 4.312 4.306 4.317 0.017 2 0 "[ . 1 . 2]" 1
423 1 26 GLU H 1 26 GLU HG2 . . 3.220 2.334 2.323 2.345 . 0 0 "[ . 1 . 2]" 1
424 1 26 GLU H 1 26 GLU HG3 . . 3.160 1.977 1.940 2.026 . 0 0 "[ . 1 . 2]" 1
425 1 25 ILE H 1 26 GLU HG3 . . 4.710 4.277 4.229 4.351 . 0 0 "[ . 1 . 2]" 1
426 1 25 ILE H 1 26 GLU HG2 . . 4.930 4.789 4.755 4.825 . 0 0 "[ . 1 . 2]" 1
427 1 27 LEU HA 1 31 CYS HB2 . . 4.610 4.462 4.372 4.517 . 0 0 "[ . 1 . 2]" 1
428 1 26 GLU H 1 27 LEU HA . . 5.440 5.237 5.231 5.245 . 0 0 "[ . 1 . 2]" 1
429 1 24 ASP HB3 1 27 LEU HB3 . . 4.180 3.402 3.359 3.431 . 0 0 "[ . 1 . 2]" 1
430 1 27 LEU H 1 27 LEU HG . . 5.110 4.599 4.591 4.609 . 0 0 "[ . 1 . 2]" 1
431 1 24 ASP H 1 27 LEU MD2 . . 5.270 5.221 5.196 5.242 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU MD2 1 28 LEU H . . 4.920 4.672 4.663 4.680 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU MD1 1 31 CYS H . . 4.110 3.431 3.341 3.502 . 0 0 "[ . 1 . 2]" 1
434 1 19 ILE HG13 1 28 LEU HA . . 3.420 3.231 3.129 3.331 . 0 0 "[ . 1 . 2]" 1
435 1 28 LEU HA 1 31 CYS HB2 . . 4.020 3.075 2.873 3.237 . 0 0 "[ . 1 . 2]" 1
436 1 28 LEU HA 1 31 CYS HB3 . . 4.050 2.626 2.494 2.781 . 0 0 "[ . 1 . 2]" 1
437 1 28 LEU H 1 28 LEU MD1 . . 3.780 3.533 3.525 3.552 . 0 0 "[ . 1 . 2]" 1
438 1 29 ALA HA 1 30 ALA H . . 3.570 3.562 3.551 3.567 . 0 0 "[ . 1 . 2]" 1
439 1 29 ALA HA 1 31 CYS H . . 4.900 4.641 4.522 4.824 . 0 0 "[ . 1 . 2]" 1
440 1 29 ALA MB 1 31 CYS H . . 4.560 4.483 4.430 4.543 . 0 0 "[ . 1 . 2]" 1
441 1 30 ALA MB 1 31 CYS H . . 3.470 2.432 2.312 2.542 . 0 0 "[ . 1 . 2]" 1
442 1 30 ALA MB 1 34 GLU H . . 4.750 4.588 4.479 4.649 . 0 0 "[ . 1 . 2]" 1
443 1 30 ALA MB 1 31 CYS HB2 . . 4.050 3.981 3.930 4.036 . 0 0 "[ . 1 . 2]" 1
444 1 19 ILE MG 1 31 CYS HB2 . . 5.500 5.428 5.381 5.471 . 0 0 "[ . 1 . 2]" 1
445 1 37 ARG HA 1 37 ARG HG3 . . 4.220 2.410 2.330 2.556 . 0 0 "[ . 1 . 2]" 1
446 1 37 ARG HA 1 37 ARG HG2 . . 4.220 3.124 2.711 3.310 . 0 0 "[ . 1 . 2]" 1
447 1 32 ARG HA 1 35 PHE HB2 . . 3.820 2.548 2.432 2.669 . 0 0 "[ . 1 . 2]" 1
448 1 32 ARG HA 1 35 PHE QD . . 4.680 4.379 4.184 4.616 . 0 0 "[ . 1 . 2]" 1
449 1 37 ARG QB 1 38 ARG H . . 4.070 2.333 2.216 2.662 . 0 0 "[ . 1 . 2]" 1
450 1 38 ARG H 1 41 VAL MG1 . . 5.500 5.074 4.738 5.536 0.036 7 0 "[ . 1 . 2]" 1
451 1 4 LYS HA 1 4 LYS QB . . 2.780 2.353 2.179 2.418 . 0 0 "[ . 1 . 2]" 1
452 1 4 LYS QB 1 4 LYS QE . . 3.480 2.192 2.026 2.269 . 0 0 "[ . 1 . 2]" 1
453 1 4 LYS QE 1 4 LYS HG2 . . 3.450 2.920 2.231 3.478 0.028 11 0 "[ . 1 . 2]" 1
454 1 4 LYS QE 1 4 LYS HG3 . . 3.450 2.841 2.174 3.449 . 0 0 "[ . 1 . 2]" 1
455 1 4 LYS H 1 4 LYS HG3 . . 3.520 2.757 2.013 3.491 . 0 0 "[ . 1 . 2]" 1
456 1 9 LYS HA 1 10 TRP HD1 . . 5.000 4.015 3.949 4.074 . 0 0 "[ . 1 . 2]" 1
457 1 11 LYS HA 1 11 LYS HG2 . . 4.060 3.344 2.941 3.500 . 0 0 "[ . 1 . 2]" 1
458 1 11 LYS HB3 1 14 GLU H . . 4.980 3.972 3.803 4.076 . 0 0 "[ . 1 . 2]" 1
459 1 11 LYS HB2 1 14 GLU HB3 . . 3.710 3.708 3.659 3.727 0.017 17 0 "[ . 1 . 2]" 1
460 1 44 ALA H 1 44 ALA MB . . 2.980 2.259 2.215 2.342 . 0 0 "[ . 1 . 2]" 1
461 1 44 ALA MB 1 45 TRP H . . 3.350 2.586 1.974 3.358 0.008 16 0 "[ . 1 . 2]" 1
462 1 10 TRP HA 1 14 GLU HG3 . . 4.880 4.353 4.239 4.453 . 0 0 "[ . 1 . 2]" 1
463 1 19 ILE MD 1 31 CYS HB2 . . 4.290 3.555 3.472 3.657 . 0 0 "[ . 1 . 2]" 1
464 1 19 ILE MD 1 32 ARG HA . . 4.300 4.035 3.855 4.211 . 0 0 "[ . 1 . 2]" 1
465 1 19 ILE H 1 19 ILE MD . . 4.570 4.281 4.262 4.299 . 0 0 "[ . 1 . 2]" 1
466 1 19 ILE HB 1 19 ILE MD . . 3.650 2.386 2.367 2.411 . 0 0 "[ . 1 . 2]" 1
467 1 19 ILE MD 1 31 CYS HB3 . . 3.890 2.513 2.468 2.600 . 0 0 "[ . 1 . 2]" 1
468 1 16 ARG HA 1 19 ILE MD . . 4.380 3.968 3.861 4.055 . 0 0 "[ . 1 . 2]" 1
469 1 19 ILE MD 1 28 LEU HA . . 4.910 3.607 3.453 3.726 . 0 0 "[ . 1 . 2]" 1
470 1 19 ILE MD 1 35 PHE QD . . 4.960 4.485 4.246 4.636 . 0 0 "[ . 1 . 2]" 1
471 1 18 THR H 1 19 ILE MG . . 5.090 4.971 4.940 4.999 . 0 0 "[ . 1 . 2]" 1
472 1 20 ASN HD21 1 21 THR HA . . 4.380 3.893 3.857 3.962 . 0 0 "[ . 1 . 2]" 1
473 1 21 THR HB 1 22 SER H . . 4.530 3.429 3.419 3.438 . 0 0 "[ . 1 . 2]" 1
474 1 17 ASP HB2 1 21 THR MG . . 4.980 4.115 3.907 4.230 . 0 0 "[ . 1 . 2]" 1
475 1 17 ASP HB3 1 21 THR MG . . 4.980 3.926 3.852 4.107 . 0 0 "[ . 1 . 2]" 1
476 1 21 THR HA 1 21 THR MG . . 2.660 2.213 2.210 2.216 . 0 0 "[ . 1 . 2]" 1
477 1 20 ASN HD22 1 21 THR MG . . 4.470 1.770 1.765 1.776 . 0 0 "[ . 1 . 2]" 1
478 1 21 THR H 1 21 THR MG . . 3.160 2.990 2.960 3.004 . 0 0 "[ . 1 . 2]" 1
479 1 20 ASN HD21 1 21 THR MG . . 3.410 2.132 2.107 2.177 . 0 0 "[ . 1 . 2]" 1
480 1 21 THR MG 1 22 SER H . . 3.920 3.883 3.878 3.889 . 0 0 "[ . 1 . 2]" 1
481 1 18 THR MG 1 22 SER HA . . 4.690 4.679 4.634 4.695 0.005 12 0 "[ . 1 . 2]" 1
482 1 23 CYS HA 1 28 LEU MD2 . . 3.520 2.439 2.364 2.493 . 0 0 "[ . 1 . 2]" 1
483 1 23 CYS HA 1 28 LEU MD1 . . 4.100 2.960 2.908 3.021 . 0 0 "[ . 1 . 2]" 1
484 1 23 CYS HB3 1 28 LEU MD1 . . 5.440 4.521 4.452 4.606 . 0 0 "[ . 1 . 2]" 1
485 1 23 CYS HB3 1 28 LEU MD2 . . 5.080 4.895 4.794 4.954 . 0 0 "[ . 1 . 2]" 1
486 1 23 CYS HB2 1 28 LEU MD2 . . 4.480 3.993 3.828 4.165 . 0 0 "[ . 1 . 2]" 1
487 1 23 CYS HB2 1 28 LEU MD1 . . 4.950 4.032 3.890 4.169 . 0 0 "[ . 1 . 2]" 1
488 1 23 CYS HB2 1 24 ASP H . . 4.550 4.326 4.297 4.377 . 0 0 "[ . 1 . 2]" 1
489 1 23 CYS HB3 1 24 ASP H . . 4.430 4.182 4.111 4.220 . 0 0 "[ . 1 . 2]" 1
490 1 26 GLU HA 1 30 ALA H . . 4.170 3.502 3.434 3.625 . 0 0 "[ . 1 . 2]" 1
491 1 27 LEU MD1 1 31 CYS HB2 . . 3.550 2.595 2.487 2.667 . 0 0 "[ . 1 . 2]" 1
492 1 24 ASP H 1 28 LEU MD2 . . 3.940 2.890 2.855 2.924 . 0 0 "[ . 1 . 2]" 1
493 1 28 LEU H 1 28 LEU MD2 . . 3.540 2.761 2.710 2.812 . 0 0 "[ . 1 . 2]" 1
494 1 27 LEU H 1 28 LEU MD2 . . 5.010 4.874 4.814 4.933 . 0 0 "[ . 1 . 2]" 1
495 1 15 LEU MD1 1 35 PHE QE . . 5.150 2.317 2.294 2.408 . 0 0 "[ . 1 . 2]" 1
496 1 38 ARG H 1 41 VAL MG2 . . 5.500 4.197 4.000 4.418 . 0 0 "[ . 1 . 2]" 1
497 1 43 HIS QB 1 44 ALA MB . . 4.530 3.831 3.574 3.967 . 0 0 "[ . 1 . 2]" 1
498 1 52 ARG HA 1 52 ARG QG . . 2.720 2.394 2.195 2.686 . 0 0 "[ . 1 . 2]" 1
499 1 52 ARG H 1 52 ARG HB2 . . 3.660 2.501 2.123 3.160 . 0 0 "[ . 1 . 2]" 1
500 1 52 ARG H 1 52 ARG HB3 . . 3.660 3.506 2.209 3.714 0.054 15 0 "[ . 1 . 2]" 1
501 1 47 SER H 1 47 SER QB . . 3.570 2.776 2.219 3.402 . 0 0 "[ . 1 . 2]" 1
502 1 47 SER QB 1 48 LYS H . . 4.010 2.954 1.740 3.932 . 0 0 "[ . 1 . 2]" 1
503 1 19 ILE HG12 1 31 CYS HB2 . . 4.510 4.531 4.525 4.539 0.029 15 0 "[ . 1 . 2]" 1
504 1 19 ILE H 1 19 ILE HG12 . . 4.740 4.490 4.470 4.507 . 0 0 "[ . 1 . 2]" 1
505 1 19 ILE H 1 19 ILE HG13 . . 5.250 3.997 3.962 4.045 . 0 0 "[ . 1 . 2]" 1
506 1 16 ARG HA 1 19 ILE HB . . 4.410 3.187 3.033 3.317 . 0 0 "[ . 1 . 2]" 1
507 1 35 PHE HB3 1 36 HIS H . . 4.990 2.790 2.643 2.889 . 0 0 "[ . 1 . 2]" 1
508 1 37 ARG QB 1 37 ARG HD2 . . 3.720 2.519 2.261 3.292 . 0 0 "[ . 1 . 2]" 1
509 1 33 GLU QB 1 34 GLU H . . 3.330 2.572 2.389 2.685 . 0 0 "[ . 1 . 2]" 1
510 1 28 LEU HB2 1 30 ALA H . . 5.180 4.993 4.935 5.064 . 0 0 "[ . 1 . 2]" 1
511 1 28 LEU HA 1 28 LEU MD2 . . 2.810 2.098 2.090 2.104 . 0 0 "[ . 1 . 2]" 1
512 1 28 LEU MD2 1 31 CYS HB3 . . 4.460 3.818 3.709 3.940 . 0 0 "[ . 1 . 2]" 1
513 1 28 LEU HB3 1 28 LEU MD2 . . 2.910 2.334 2.325 2.353 . 0 0 "[ . 1 . 2]" 1
514 1 28 LEU MD2 1 31 CYS HB2 . . 4.110 3.930 3.748 4.012 . 0 0 "[ . 1 . 2]" 1
515 1 25 ILE HA 1 28 LEU HG . . 4.200 4.048 4.006 4.135 . 0 0 "[ . 1 . 2]" 1
516 1 10 TRP HB3 1 15 LEU MD2 . . 5.500 3.658 3.500 3.841 . 0 0 "[ . 1 . 2]" 1
517 1 10 TRP HB2 1 15 LEU MD2 . . 5.500 3.574 3.368 3.768 . 0 0 "[ . 1 . 2]" 1
518 1 15 LEU MD2 1 35 PHE QE . . 5.150 2.416 2.290 3.050 . 0 0 "[ . 1 . 2]" 1
519 1 15 LEU H 1 15 LEU MD2 . . 4.610 4.142 4.112 4.197 . 0 0 "[ . 1 . 2]" 1
520 1 25 ILE HA 1 29 ALA MB . . 4.200 3.878 3.845 3.924 . 0 0 "[ . 1 . 2]" 1
521 1 20 ASN HB3 1 21 THR MG . . 4.450 4.333 4.321 4.346 . 0 0 "[ . 1 . 2]" 1
522 1 4 LYS HA 1 5 TYR QD . . 3.830 3.803 3.673 3.875 0.045 12 0 "[ . 1 . 2]" 1
523 1 4 LYS HA 1 5 TYR QE . . 5.250 5.090 4.927 5.238 . 0 0 "[ . 1 . 2]" 1
524 1 2 THR HB 1 3 LYS H . . 3.810 2.968 2.146 3.814 0.004 19 0 "[ . 1 . 2]" 1
525 1 3 LYS HA 1 3 LYS QB . . 2.640 2.318 2.180 2.395 . 0 0 "[ . 1 . 2]" 1
526 1 4 LYS H 1 4 LYS QB . . 2.750 2.500 2.315 2.767 0.017 6 0 "[ . 1 . 2]" 1
527 1 4 LYS HA 1 5 TYR QB . . 5.140 5.100 5.009 5.176 0.036 8 0 "[ . 1 . 2]" 1
528 1 5 TYR QB 1 7 LEU HG . . 4.640 3.210 3.067 3.356 . 0 0 "[ . 1 . 2]" 1
529 1 12 TYR HA 1 15 LEU H . . 4.800 3.598 3.507 3.639 . 0 0 "[ . 1 . 2]" 1
530 1 35 PHE HA 1 39 LEU H . . 4.740 3.989 3.797 4.138 . 0 0 "[ . 1 . 2]" 1
531 1 11 LYS HA 1 11 LYS HG3 . . 4.060 3.397 2.357 3.868 . 0 0 "[ . 1 . 2]" 1
532 1 11 LYS HB3 1 11 LYS HD3 . . 3.720 3.376 3.142 3.730 0.010 17 0 "[ . 1 . 2]" 1
533 1 11 LYS HB3 1 11 LYS HD2 . . 3.720 2.852 2.384 3.757 0.037 16 0 "[ . 1 . 2]" 1
534 1 11 LYS H 1 11 LYS HD2 . . 4.210 3.402 1.794 4.216 0.006 10 0 "[ . 1 . 2]" 1
535 1 11 LYS H 1 11 LYS HD3 . . 4.210 3.252 2.963 4.221 0.011 3 0 "[ . 1 . 2]" 1
536 1 42 TYR QB 1 44 ALA H . . 4.930 4.544 4.305 4.858 . 0 0 "[ . 1 . 2]" 1
537 1 24 ASP HA 1 25 ILE HG13 . . 4.130 4.134 4.130 4.138 0.008 4 0 "[ . 1 . 2]" 1
538 1 10 TRP HE3 1 15 LEU HA . . 3.620 2.469 2.384 2.517 . 0 0 "[ . 1 . 2]" 1
539 1 7 LEU MD2 1 31 CYS HA . . 5.360 5.366 5.267 5.379 0.019 9 0 "[ . 1 . 2]" 1
540 1 7 LEU MD1 1 34 GLU HA . . 5.500 5.256 4.658 5.515 0.015 15 0 "[ . 1 . 2]" 1
541 1 34 GLU HA 1 37 ARG QB . . 3.830 2.622 2.380 2.956 . 0 0 "[ . 1 . 2]" 1
542 1 34 GLU HA 1 35 PHE QD . . 5.500 5.375 5.157 5.506 0.006 7 0 "[ . 1 . 2]" 1
543 1 41 VAL HA 1 44 ALA MB . . 4.250 2.418 2.228 2.699 . 0 0 "[ . 1 . 2]" 1
544 1 41 VAL HA 1 44 ALA H . . 4.890 3.361 3.068 3.730 . 0 0 "[ . 1 . 2]" 1
545 1 41 VAL HA 1 45 TRP H . . 5.410 3.713 3.271 3.988 . 0 0 "[ . 1 . 2]" 1
546 1 41 VAL HB 1 44 ALA H . . 5.500 5.270 5.013 5.504 0.004 20 0 "[ . 1 . 2]" 1
547 1 41 VAL HB 1 45 TRP H . . 5.500 4.961 4.350 5.511 0.011 7 0 "[ . 1 . 2]" 1
548 1 38 ARG HA 1 41 VAL HB . . 5.220 4.533 2.325 5.222 0.002 16 0 "[ . 1 . 2]" 1
549 1 10 TRP HB3 1 11 LYS HA . . 4.990 4.449 4.410 4.570 . 0 0 "[ . 1 . 2]" 1
550 1 9 LYS HA 1 10 TRP HB2 . . 5.250 4.203 4.192 4.223 . 0 0 "[ . 1 . 2]" 1
551 1 4 LYS QB 1 5 TYR QB . . 4.390 3.328 3.262 3.617 . 0 0 "[ . 1 . 2]" 1
552 1 13 ALA MB 1 14 GLU HG2 . . 5.420 3.811 3.755 3.894 . 0 0 "[ . 1 . 2]" 1
553 1 13 ALA MB 1 14 GLU HG3 . . 5.420 5.101 4.978 5.171 . 0 0 "[ . 1 . 2]" 1
554 1 5 TYR QE 1 26 GLU HB3 . . 4.510 3.108 2.706 3.343 . 0 0 "[ . 1 . 2]" 1
555 1 5 TYR QD 1 26 GLU HG2 . . 5.500 5.309 5.163 5.416 . 0 0 "[ . 1 . 2]" 1
556 1 5 TYR QD 1 26 GLU HG3 . . 5.290 5.306 5.301 5.312 0.022 2 0 "[ . 1 . 2]" 1
557 1 25 ILE HA 1 26 GLU HG2 . . 5.130 5.133 5.113 5.140 0.010 5 0 "[ . 1 . 2]" 1
558 1 32 ARG HA 1 34 GLU H . . 4.630 4.350 4.172 4.613 . 0 0 "[ . 1 . 2]" 1
559 1 15 LEU HB2 1 35 PHE QD . . 5.500 5.375 4.684 5.516 0.016 15 0 "[ . 1 . 2]" 1
560 1 15 LEU HB2 1 35 PHE HZ . . 5.500 4.898 4.687 5.105 . 0 0 "[ . 1 . 2]" 1
561 1 52 ARG H 1 52 ARG QG . . 3.600 2.567 1.850 3.678 0.078 9 0 "[ . 1 . 2]" 1
562 1 24 ASP HA 1 25 ILE HA . . 4.360 4.353 4.345 4.358 . 0 0 "[ . 1 . 2]" 1
563 1 24 ASP HA 1 28 LEU HG . . 5.200 4.239 4.175 4.289 . 0 0 "[ . 1 . 2]" 1
564 1 24 ASP HA 1 27 LEU HB3 . . 4.990 4.988 4.925 5.003 0.013 20 0 "[ . 1 . 2]" 1
565 1 25 ILE HA 1 25 ILE HG13 . . 3.890 3.581 3.579 3.583 . 0 0 "[ . 1 . 2]" 1
566 1 25 ILE HA 1 28 LEU HB2 . . 4.080 3.318 3.281 3.348 . 0 0 "[ . 1 . 2]" 1
567 1 25 ILE HA 1 29 ALA H . . 4.380 3.636 3.609 3.661 . 0 0 "[ . 1 . 2]" 1
568 1 25 ILE HA 1 28 LEU H . . 4.250 4.122 4.106 4.149 . 0 0 "[ . 1 . 2]" 1
569 1 25 ILE MG 1 29 ALA H . . 5.320 5.173 5.154 5.197 . 0 0 "[ . 1 . 2]" 1
570 1 29 ALA HA 1 33 GLU QB . . 5.500 5.352 5.114 5.502 0.002 2 0 "[ . 1 . 2]" 1
571 1 7 LEU MD1 1 30 ALA MB . . 3.020 1.897 1.876 1.930 . 0 0 "[ . 1 . 2]" 1
572 1 27 LEU MD1 1 30 ALA MB . . 3.480 3.346 3.231 3.441 . 0 0 "[ . 1 . 2]" 1
573 1 7 LEU HG 1 30 ALA MB . . 3.740 3.633 3.470 3.743 0.003 2 0 "[ . 1 . 2]" 1
574 1 30 ALA MB 1 33 GLU QB . . 3.950 3.825 3.725 3.952 0.002 13 0 "[ . 1 . 2]" 1
575 1 30 ALA H 1 30 ALA MB . . 2.880 2.168 2.150 2.183 . 0 0 "[ . 1 . 2]" 1
576 1 28 LEU HA 1 29 ALA HA . . 4.990 4.838 4.831 4.844 . 0 0 "[ . 1 . 2]" 1
577 1 10 TRP HE3 1 15 LEU HG . . 4.470 2.283 2.263 2.327 . 0 0 "[ . 1 . 2]" 1
578 1 30 ALA MB 1 31 CYS HA . . 4.640 3.723 3.701 3.753 . 0 0 "[ . 1 . 2]" 1
579 1 19 ILE HG13 1 31 CYS HB2 . . 4.600 2.907 2.887 2.929 . 0 0 "[ . 1 . 2]" 1
580 1 22 SER HB3 1 27 LEU MD2 . . 4.130 3.530 3.471 3.552 . 0 0 "[ . 1 . 2]" 1
581 1 18 THR MG 1 19 ILE HA . . 3.930 3.848 3.805 3.879 . 0 0 "[ . 1 . 2]" 1
582 1 19 ILE HA 1 22 SER H . . 4.330 4.154 4.114 4.178 . 0 0 "[ . 1 . 2]" 1
583 1 19 ILE HG12 1 31 CYS HB3 . . 4.770 4.039 3.939 4.150 . 0 0 "[ . 1 . 2]" 1
584 1 36 HIS HA 1 39 LEU HB3 . . 4.440 3.853 2.655 4.449 0.009 9 0 "[ . 1 . 2]" 1
585 1 36 HIS HA 1 36 HIS HE1 . . 4.980 4.805 4.382 4.992 0.012 17 0 "[ . 1 . 2]" 1
586 1 15 LEU HA 1 15 LEU HG . . 3.980 2.322 2.297 2.339 . 0 0 "[ . 1 . 2]" 1
587 1 15 LEU HA 1 15 LEU MD2 . . 4.020 2.240 2.225 2.258 . 0 0 "[ . 1 . 2]" 1
588 1 5 TYR HA 1 6 ASP HA . . 4.630 4.472 4.431 4.504 . 0 0 "[ . 1 . 2]" 1
589 1 4 LYS H 1 4 LYS HG2 . . 3.520 2.761 1.784 3.538 0.018 6 0 "[ . 1 . 2]" 1
590 1 9 LYS HA 1 9 LYS QD . . 3.180 2.288 2.076 3.196 0.016 7 0 "[ . 1 . 2]" 1
591 1 16 ARG HA 1 35 PHE QE . . 5.500 4.934 4.784 5.041 . 0 0 "[ . 1 . 2]" 1
592 1 16 ARG HA 1 35 PHE HZ . . 5.500 4.857 4.376 5.240 . 0 0 "[ . 1 . 2]" 1
593 1 15 LEU H 1 16 ARG HA . . 5.500 5.456 5.425 5.483 . 0 0 "[ . 1 . 2]" 1
594 1 25 ILE HA 1 25 ILE HG12 . . 4.000 3.790 3.782 3.798 . 0 0 "[ . 1 . 2]" 1
595 1 28 LEU HB3 1 28 LEU MD1 . . 3.260 2.312 2.264 2.377 . 0 0 "[ . 1 . 2]" 1
596 1 29 ALA MB 1 32 ARG QD . . 5.240 4.599 4.085 5.095 . 0 0 "[ . 1 . 2]" 1
597 1 48 LYS HA 1 48 LYS QG . . 2.990 2.405 2.233 2.957 . 0 0 "[ . 1 . 2]" 1
598 1 48 LYS HA 1 48 LYS QE . . 3.920 3.650 2.271 3.943 0.023 6 0 "[ . 1 . 2]" 1
599 1 3 LYS H 1 3 LYS HG2 . . 4.100 3.119 1.773 4.104 0.004 11 0 "[ . 1 . 2]" 1
600 1 6 ASP HA 1 7 LEU HA . . 4.640 4.415 4.411 4.417 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLU HB2 1 27 LEU MD2 . . 4.440 4.101 4.047 4.166 . 0 0 "[ . 1 . 2]" 1
602 1 26 GLU HB3 1 27 LEU MD2 . . 5.490 5.281 5.247 5.318 . 0 0 "[ . 1 . 2]" 1
603 1 18 THR HB 1 27 LEU MD2 . . 5.030 4.877 4.824 4.941 . 0 0 "[ . 1 . 2]" 1
604 1 5 TYR QD 1 7 LEU MD2 . . 3.370 2.913 2.810 3.018 . 0 0 "[ . 1 . 2]" 1
605 1 5 TYR QD 1 7 LEU MD1 . . 3.980 3.100 2.925 3.216 . 0 0 "[ . 1 . 2]" 1
606 1 5 TYR QD 1 27 LEU MD1 . . 4.510 4.426 4.199 4.519 0.009 2 0 "[ . 1 . 2]" 1
607 1 5 TYR QD 1 27 LEU MD2 . . 3.870 3.542 3.441 3.627 . 0 0 "[ . 1 . 2]" 1
608 1 5 TYR QD 1 30 ALA MB . . 3.680 3.311 3.113 3.434 . 0 0 "[ . 1 . 2]" 1
609 1 4 LYS QB 1 5 TYR QD . . 3.570 2.321 2.207 2.443 . 0 0 "[ . 1 . 2]" 1
610 1 5 TYR QD 1 27 LEU HA . . 4.310 4.005 3.882 4.168 . 0 0 "[ . 1 . 2]" 1
611 1 5 TYR HA 1 5 TYR QD . . 3.190 2.969 2.894 3.014 . 0 0 "[ . 1 . 2]" 1
612 1 5 TYR QE 1 27 LEU MD2 . . 3.800 2.006 1.987 2.021 . 0 0 "[ . 1 . 2]" 1
613 1 5 TYR QE 1 27 LEU HB2 . . 3.940 3.821 3.651 3.948 0.008 13 0 "[ . 1 . 2]" 1
614 1 5 TYR QE 1 30 ALA MB . . 4.530 4.211 4.130 4.306 . 0 0 "[ . 1 . 2]" 1
615 1 4 LYS QB 1 5 TYR QE . . 4.150 3.792 3.380 4.135 . 0 0 "[ . 1 . 2]" 1
616 1 5 TYR QE 1 26 GLU HG2 . . 4.480 4.392 4.207 4.497 0.017 16 0 "[ . 1 . 2]" 1
617 1 4 LYS QE 1 5 TYR QE . . 4.690 4.308 3.765 4.695 0.005 12 0 "[ . 1 . 2]" 1
618 1 5 TYR QE 1 27 LEU HA . . 4.010 2.999 2.919 3.141 . 0 0 "[ . 1 . 2]" 1
619 1 5 TYR HA 1 5 TYR QE . . 4.550 4.423 4.383 4.461 . 0 0 "[ . 1 . 2]" 1
620 1 5 TYR QE 1 27 LEU H . . 4.200 3.936 3.781 4.068 . 0 0 "[ . 1 . 2]" 1
621 1 7 LEU MD2 1 10 TRP HD1 . . 3.840 3.692 3.557 3.780 . 0 0 "[ . 1 . 2]" 1
622 1 7 LEU HB3 1 10 TRP HD1 . . 4.330 3.439 3.305 3.599 . 0 0 "[ . 1 . 2]" 1
623 1 7 LEU HA 1 10 TRP HD1 . . 4.000 3.417 3.053 3.547 . 0 0 "[ . 1 . 2]" 1
624 1 10 TRP HA 1 10 TRP HD1 . . 3.650 2.522 2.458 2.586 . 0 0 "[ . 1 . 2]" 1
625 1 7 LEU MD2 1 10 TRP HZ2 . . 4.290 2.914 2.757 2.960 . 0 0 "[ . 1 . 2]" 1
626 1 7 LEU MD1 1 10 TRP HZ2 . . 5.180 5.024 4.937 5.065 . 0 0 "[ . 1 . 2]" 1
627 1 10 TRP HZ2 1 18 THR MG . . 4.860 4.475 4.461 4.486 . 0 0 "[ . 1 . 2]" 1
628 1 10 TRP HH2 1 27 LEU MD2 . . 3.830 3.513 3.465 3.612 . 0 0 "[ . 1 . 2]" 1
629 1 10 TRP HH2 1 18 THR MG . . 3.870 2.274 2.261 2.283 . 0 0 "[ . 1 . 2]" 1
630 1 7 LEU MD2 1 10 TRP HZ3 . . 4.860 4.641 4.513 4.665 . 0 0 "[ . 1 . 2]" 1
631 1 10 TRP HZ3 1 27 LEU MD2 . . 5.050 4.615 4.548 4.703 . 0 0 "[ . 1 . 2]" 1
632 1 10 TRP HZ3 1 15 LEU HA . . 4.300 3.245 3.217 3.282 . 0 0 "[ . 1 . 2]" 1
633 1 10 TRP HZ3 1 18 THR HB . . 4.310 2.318 2.293 2.331 . 0 0 "[ . 1 . 2]" 1
634 1 10 TRP HE3 1 18 THR MG . . 4.900 4.447 4.433 4.464 . 0 0 "[ . 1 . 2]" 1
635 1 10 TRP HE3 1 14 GLU HB2 . . 4.530 3.846 3.771 3.917 . 0 0 "[ . 1 . 2]" 1
636 1 10 TRP HB3 1 10 TRP HE3 . . 4.120 2.543 2.519 2.556 . 0 0 "[ . 1 . 2]" 1
637 1 36 HIS HA 1 36 HIS HD2 . . 4.300 4.094 3.604 4.309 0.009 2 0 "[ . 1 . 2]" 1
638 1 45 TRP HA 1 45 TRP HD1 . . 4.290 2.980 2.322 4.313 0.023 6 0 "[ . 1 . 2]" 1
639 1 5 TYR QE 1 26 GLU HB2 . . 3.850 2.864 2.640 2.971 . 0 0 "[ . 1 . 2]" 1
640 1 35 PHE HA 1 35 PHE QD . . 3.730 2.551 2.372 2.798 . 0 0 "[ . 1 . 2]" 1
641 1 43 HIS HA 1 43 HIS HD2 . . 4.260 3.324 2.320 4.263 0.003 12 0 "[ . 1 . 2]" 1
642 1 12 TYR HA 1 12 TYR QD . . 3.890 3.297 2.678 3.701 . 0 0 "[ . 1 . 2]" 1
643 1 12 TYR QD 1 13 ALA H . . 4.500 2.922 2.417 3.453 . 0 0 "[ . 1 . 2]" 1
644 1 7 LEU MD1 1 10 TRP HD1 . . 5.420 5.150 5.020 5.272 . 0 0 "[ . 1 . 2]" 1
645 1 45 TRP H 1 45 TRP HD1 . . 4.090 3.062 1.807 4.118 0.028 16 0 "[ . 1 . 2]" 1
646 1 10 TRP HZ3 1 18 THR H . . 4.280 4.173 4.134 4.190 . 0 0 "[ . 1 . 2]" 1
647 1 3 LYS H 1 3 LYS QG . . 3.460 2.312 1.767 3.220 . 0 0 "[ . 1 . 2]" 1
648 1 3 LYS HA 1 3 LYS QG . . 3.730 2.570 2.268 3.378 . 0 0 "[ . 1 . 2]" 1
649 1 4 LYS HA 1 4 LYS QG . . 3.410 2.487 2.281 3.272 . 0 0 "[ . 1 . 2]" 1
650 1 4 LYS QE 1 4 LYS QG . . 2.620 2.338 2.145 2.642 0.022 12 0 "[ . 1 . 2]" 1
651 1 5 TYR HA 1 6 ASP QB . . 4.400 4.002 3.908 4.401 0.001 12 0 "[ . 1 . 2]" 1
652 1 6 ASP H 1 6 ASP QB . . 3.080 2.741 2.578 3.107 0.027 12 0 "[ . 1 . 2]" 1
653 1 6 ASP QB 1 7 LEU H . . 3.960 3.825 3.460 3.924 . 0 0 "[ . 1 . 2]" 1
654 1 7 LEU MD1 1 15 LEU QD . . 5.440 3.923 3.787 4.117 . 0 0 "[ . 1 . 2]" 1
655 1 7 LEU MD1 1 34 GLU QB . . 4.190 3.898 2.740 4.198 0.008 2 0 "[ . 1 . 2]" 1
656 1 7 LEU MD1 1 34 GLU QG . . 4.100 2.550 2.247 4.112 0.012 13 0 "[ . 1 . 2]" 1
657 1 7 LEU MD2 1 15 LEU QD . . 5.440 4.599 4.521 4.695 . 0 0 "[ . 1 . 2]" 1
658 1 8 SER QB 1 9 LYS H . . 3.960 2.546 2.485 2.579 . 0 0 "[ . 1 . 2]" 1
659 1 8 SER QB 1 9 LYS QB . . 5.150 3.771 3.192 3.855 . 0 0 "[ . 1 . 2]" 1
660 1 9 LYS H 1 9 LYS QB . . 3.610 2.864 2.842 2.883 . 0 0 "[ . 1 . 2]" 1
661 1 9 LYS H 1 9 LYS QG . . 4.700 4.282 4.199 4.383 . 0 0 "[ . 1 . 2]" 1
662 1 9 LYS HA 1 9 LYS QG . . 3.320 2.508 2.135 3.042 . 0 0 "[ . 1 . 2]" 1
663 1 9 LYS QB 1 9 LYS QE . . 4.210 3.350 2.235 3.888 . 0 0 "[ . 1 . 2]" 1
664 1 9 LYS QB 1 10 TRP H . . 3.910 3.664 3.549 3.764 . 0 0 "[ . 1 . 2]" 1
665 1 9 LYS QB 1 10 TRP HD1 . . 4.920 4.491 4.413 4.581 . 0 0 "[ . 1 . 2]" 1
666 1 9 LYS QE 1 9 LYS QG . . 3.360 2.249 2.118 2.485 . 0 0 "[ . 1 . 2]" 1
667 1 9 LYS QG 1 10 TRP H . . 3.760 3.410 2.921 3.719 . 0 0 "[ . 1 . 2]" 1
668 1 10 TRP H 1 15 LEU QD . . 4.520 3.871 3.787 3.934 . 0 0 "[ . 1 . 2]" 1
669 1 10 TRP HA 1 11 LYS QG . . 4.220 3.503 3.211 4.064 . 0 0 "[ . 1 . 2]" 1
670 1 10 TRP HA 1 14 GLU QG . . 4.280 3.940 3.840 4.015 . 0 0 "[ . 1 . 2]" 1
671 1 10 TRP HB2 1 15 LEU QD . . 4.590 2.855 2.780 2.915 . 0 0 "[ . 1 . 2]" 1
672 1 10 TRP HB3 1 11 LYS QG . . 5.240 4.670 4.352 5.243 0.003 14 0 "[ . 1 . 2]" 1
673 1 10 TRP HB3 1 15 LEU QD . . 4.120 2.777 2.755 2.825 . 0 0 "[ . 1 . 2]" 1
674 1 10 TRP HD1 1 14 GLU QG . . 5.340 5.342 5.302 5.356 0.016 1 0 "[ . 1 . 2]" 1
675 1 10 TRP HE3 1 14 GLU QG . . 4.710 2.278 2.249 2.291 . 0 0 "[ . 1 . 2]" 1
676 1 10 TRP HE3 1 15 LEU QD . . 4.030 2.990 2.943 3.044 . 0 0 "[ . 1 . 2]" 1
677 1 10 TRP HZ3 1 15 LEU QD . . 4.930 4.053 3.986 4.129 . 0 0 "[ . 1 . 2]" 1
678 1 11 LYS H 1 11 LYS QG . . 3.270 2.349 1.971 3.029 . 0 0 "[ . 1 . 2]" 1
679 1 11 LYS H 1 11 LYS QD . . 3.690 2.696 1.785 3.693 0.003 3 0 "[ . 1 . 2]" 1
680 1 11 LYS H 1 14 GLU QG . . 4.390 2.223 2.091 2.322 . 0 0 "[ . 1 . 2]" 1
681 1 11 LYS HA 1 11 LYS QD . . 3.750 2.613 2.168 3.563 . 0 0 "[ . 1 . 2]" 1
682 1 11 LYS HA 1 14 GLU QG . . 5.340 3.955 3.919 4.014 . 0 0 "[ . 1 . 2]" 1
683 1 11 LYS HB2 1 14 GLU QG . . 3.680 2.263 2.250 2.274 . 0 0 "[ . 1 . 2]" 1
684 1 12 TYR HA 1 15 LEU QD . . 4.040 2.596 2.491 2.711 . 0 0 "[ . 1 . 2]" 1
685 1 12 TYR QB 1 13 ALA H . . 3.740 2.956 2.575 3.391 . 0 0 "[ . 1 . 2]" 1
686 1 12 TYR QB 1 13 ALA MB . . 5.090 4.187 3.822 4.578 . 0 0 "[ . 1 . 2]" 1
687 1 12 TYR QD 1 15 LEU QD . . 5.090 4.289 3.663 4.966 . 0 0 "[ . 1 . 2]" 1
688 1 13 ALA MB 1 14 GLU QG . . 4.690 3.710 3.660 3.786 . 0 0 "[ . 1 . 2]" 1
689 1 14 GLU HA 1 17 ASP QB . . 3.770 2.434 2.316 2.493 . 0 0 "[ . 1 . 2]" 1
690 1 14 GLU QG 1 15 LEU H . . 3.830 2.076 2.017 2.163 . 0 0 "[ . 1 . 2]" 1
691 1 14 GLU QG 1 15 LEU HA . . 4.620 3.145 3.111 3.192 . 0 0 "[ . 1 . 2]" 1
692 1 14 GLU QG 1 15 LEU HB2 . . 4.390 3.567 3.499 3.647 . 0 0 "[ . 1 . 2]" 1
693 1 14 GLU QG 1 15 LEU QD . . 3.640 3.493 3.440 3.619 . 0 0 "[ . 1 . 2]" 1
694 1 15 LEU H 1 15 LEU QD . . 4.000 3.324 3.265 3.425 . 0 0 "[ . 1 . 2]" 1
695 1 15 LEU HA 1 15 LEU QD . . 3.380 2.222 2.208 2.239 . 0 0 "[ . 1 . 2]" 1
696 1 15 LEU QD 1 32 ARG HA . . 5.280 5.223 4.958 5.295 0.015 15 0 "[ . 1 . 2]" 1
697 1 15 LEU QD 1 34 GLU H . . 4.640 4.585 4.280 4.668 0.028 13 0 "[ . 1 . 2]" 1
698 1 15 LEU QD 1 34 GLU HA . . 5.290 4.834 4.555 4.985 . 0 0 "[ . 1 . 2]" 1
699 1 15 LEU QD 1 35 PHE H . . 5.260 3.933 3.575 4.104 . 0 0 "[ . 1 . 2]" 1
700 1 15 LEU QD 1 35 PHE HA . . 4.400 4.064 3.754 4.225 . 0 0 "[ . 1 . 2]" 1
701 1 15 LEU QD 1 35 PHE QD . . 4.780 2.434 2.182 2.575 . 0 0 "[ . 1 . 2]" 1
702 1 15 LEU QD 1 35 PHE QE . . 3.730 2.095 2.045 2.232 . 0 0 "[ . 1 . 2]" 1
703 1 16 ARG H 1 16 ARG QG . . 4.610 3.848 1.844 4.037 . 0 0 "[ . 1 . 2]" 1
704 1 16 ARG HA 1 16 ARG QG . . 3.620 2.369 2.245 3.302 . 0 0 "[ . 1 . 2]" 1
705 1 16 ARG QB 1 17 ASP H . . 3.200 2.390 2.294 3.248 0.048 19 0 "[ . 1 . 2]" 1
706 1 16 ARG QB 1 17 ASP HA . . 4.480 4.000 3.886 4.203 . 0 0 "[ . 1 . 2]" 1
707 1 16 ARG QB 1 17 ASP QB . . 4.630 3.854 3.772 4.604 . 0 0 "[ . 1 . 2]" 1
708 1 16 ARG QG 1 17 ASP H . . 5.340 3.525 1.847 3.815 . 0 0 "[ . 1 . 2]" 1
709 1 16 ARG QG 1 17 ASP HA . . 4.060 3.738 3.260 4.061 0.001 20 0 "[ . 1 . 2]" 1
710 1 17 ASP H 1 17 ASP QB . . 3.180 2.222 2.207 2.253 . 0 0 "[ . 1 . 2]" 1
711 1 17 ASP QB 1 18 THR H . . 3.680 2.251 2.238 2.316 . 0 0 "[ . 1 . 2]" 1
712 1 17 ASP QB 1 21 THR MG . . 4.350 3.572 3.536 3.627 . 0 0 "[ . 1 . 2]" 1
713 1 21 THR H 1 22 SER QB . . 4.260 4.015 4.000 4.035 . 0 0 "[ . 1 . 2]" 1
714 1 22 SER H 1 22 SER QB . . 2.970 2.167 2.161 2.174 . 0 0 "[ . 1 . 2]" 1
715 1 22 SER QB 1 23 CYS H . . 3.580 2.463 2.426 2.509 . 0 0 "[ . 1 . 2]" 1
716 1 22 SER QB 1 24 ASP H . . 4.950 4.766 4.760 4.774 . 0 0 "[ . 1 . 2]" 1
717 1 22 SER QB 1 27 LEU HG . . 4.690 2.412 2.343 2.466 . 0 0 "[ . 1 . 2]" 1
718 1 22 SER QB 1 27 LEU MD1 . . 4.260 3.554 3.484 3.585 . 0 0 "[ . 1 . 2]" 1
719 1 22 SER QB 1 27 LEU MD2 . . 3.520 3.321 3.273 3.339 . 0 0 "[ . 1 . 2]" 1
720 1 29 ALA HA 1 32 ARG QB . . 3.460 2.935 2.788 3.027 . 0 0 "[ . 1 . 2]" 1
721 1 29 ALA HA 1 33 GLU QG . . 4.480 3.983 3.811 4.117 . 0 0 "[ . 1 . 2]" 1
722 1 29 ALA MB 1 33 GLU QG . . 3.690 3.596 3.458 3.701 0.011 2 0 "[ . 1 . 2]" 1
723 1 30 ALA H 1 33 GLU QG . . 4.830 4.701 4.598 4.835 0.005 13 0 "[ . 1 . 2]" 1
724 1 30 ALA HA 1 33 GLU QG . . 3.450 3.137 2.971 3.428 . 0 0 "[ . 1 . 2]" 1
725 1 31 CYS HA 1 34 GLU QG . . 4.090 3.318 3.062 4.109 0.019 13 0 "[ . 1 . 2]" 1
726 1 32 ARG H 1 32 ARG QB . . 3.580 2.302 2.211 2.400 . 0 0 "[ . 1 . 2]" 1
727 1 32 ARG QB 1 33 GLU H . . 4.080 2.453 2.333 2.651 . 0 0 "[ . 1 . 2]" 1
728 1 32 ARG QB 1 35 PHE HB2 . . 5.190 4.508 4.224 4.751 . 0 0 "[ . 1 . 2]" 1
729 1 33 GLU H 1 33 GLU QG . . 4.530 2.297 2.228 2.415 . 0 0 "[ . 1 . 2]" 1
730 1 33 GLU QB 1 33 GLU QG . . 2.340 2.054 2.038 2.108 . 0 0 "[ . 1 . 2]" 1
731 1 33 GLU QG 1 34 GLU H . . 4.660 4.153 4.073 4.207 . 0 0 "[ . 1 . 2]" 1
732 1 34 GLU H 1 34 GLU QB . . 3.370 2.336 2.204 2.416 . 0 0 "[ . 1 . 2]" 1
733 1 34 GLU HA 1 37 ARG QD . . 4.080 3.668 3.205 4.080 . 0 0 "[ . 1 . 2]" 1
734 1 34 GLU QB 1 35 PHE H . . 4.440 2.484 2.342 2.707 . 0 0 "[ . 1 . 2]" 1
735 1 34 GLU QB 1 35 PHE HA . . 4.470 3.878 3.830 4.299 . 0 0 "[ . 1 . 2]" 1
736 1 35 PHE H 1 38 ARG QB . . 5.340 4.842 4.489 5.114 . 0 0 "[ . 1 . 2]" 1
737 1 35 PHE HA 1 38 ARG QB . . 4.550 2.845 2.362 3.081 . 0 0 "[ . 1 . 2]" 1
738 1 35 PHE HA 1 39 LEU QB . . 5.290 4.839 4.069 5.305 0.015 15 0 "[ . 1 . 2]" 1
739 1 35 PHE HA 1 39 LEU QD . . 4.960 3.919 3.019 4.966 0.006 18 0 "[ . 1 . 2]" 1
740 1 36 HIS H 1 36 HIS QB . . 3.310 2.261 2.060 2.398 . 0 0 "[ . 1 . 2]" 1
741 1 36 HIS HA 1 39 LEU QB . . 3.780 2.690 2.446 2.968 . 0 0 "[ . 1 . 2]" 1
742 1 36 HIS HA 1 39 LEU QD . . 4.130 3.064 2.231 4.133 0.003 4 0 "[ . 1 . 2]" 1
743 1 36 HIS QB 1 36 HIS HD2 . . 3.420 2.738 2.681 2.915 . 0 0 "[ . 1 . 2]" 1
744 1 36 HIS QB 1 37 ARG H . . 4.090 2.517 2.366 2.762 . 0 0 "[ . 1 . 2]" 1
745 1 36 HIS QB 1 37 ARG HA . . 4.510 3.937 3.786 4.046 . 0 0 "[ . 1 . 2]" 1
746 1 37 ARG H 1 37 ARG QD . . 5.000 4.445 4.361 4.583 . 0 0 "[ . 1 . 2]" 1
747 1 37 ARG HA 1 37 ARG QG . . 3.690 2.328 2.265 2.420 . 0 0 "[ . 1 . 2]" 1
748 1 37 ARG HA 1 37 ARG QD . . 4.040 3.910 3.795 4.079 0.039 1 0 "[ . 1 . 2]" 1
749 1 37 ARG QG 1 38 ARG H . . 3.770 3.423 3.072 3.746 . 0 0 "[ . 1 . 2]" 1
750 1 37 ARG QG 1 38 ARG HA . . 4.080 3.552 3.222 3.929 . 0 0 "[ . 1 . 2]" 1
751 1 38 ARG H 1 38 ARG QB . . 3.620 2.257 2.138 2.468 . 0 0 "[ . 1 . 2]" 1
752 1 38 ARG H 1 41 VAL QG . . 4.230 4.004 3.815 4.250 0.020 2 0 "[ . 1 . 2]" 1
753 1 38 ARG HA 1 41 VAL QG . . 3.900 2.378 2.095 3.155 . 0 0 "[ . 1 . 2]" 1
754 1 38 ARG QB 1 39 LEU H . . 4.200 2.526 2.288 2.666 . 0 0 "[ . 1 . 2]" 1
755 1 39 LEU H 1 39 LEU QB . . 3.630 2.273 2.139 2.453 . 0 0 "[ . 1 . 2]" 1
756 1 39 LEU H 1 39 LEU QD . . 4.170 3.009 1.922 3.668 . 0 0 "[ . 1 . 2]" 1
757 1 39 LEU QB 1 40 LYS H . . 4.140 2.644 2.181 2.906 . 0 0 "[ . 1 . 2]" 1
758 1 39 LEU QB 1 40 LYS HA . . 4.830 3.922 3.824 4.018 . 0 0 "[ . 1 . 2]" 1
759 1 39 LEU QD 1 40 LYS H . . 4.420 3.949 3.273 4.175 . 0 0 "[ . 1 . 2]" 1
760 1 40 LYS H 1 40 LYS QB . . 3.490 2.247 2.148 2.405 . 0 0 "[ . 1 . 2]" 1
761 1 40 LYS H 1 40 LYS QG . . 4.510 3.797 2.243 4.045 . 0 0 "[ . 1 . 2]" 1
762 1 40 LYS H 1 41 VAL QG . . 4.310 3.630 3.437 4.306 . 0 0 "[ . 1 . 2]" 1
763 1 40 LYS QB 1 41 VAL H . . 4.300 2.303 2.257 2.425 . 0 0 "[ . 1 . 2]" 1
764 1 40 LYS QG 1 41 VAL H . . 4.830 3.652 3.215 4.326 . 0 0 "[ . 1 . 2]" 1
765 1 41 VAL H 1 41 VAL QG . . 3.240 1.852 1.730 2.273 . 0 0 "[ . 1 . 2]" 1
766 1 41 VAL QG 1 42 TYR H . . 3.770 2.185 1.896 3.074 . 0 0 "[ . 1 . 2]" 1
767 1 41 VAL QG 1 44 ALA H . . 5.440 4.349 4.261 4.495 . 0 0 "[ . 1 . 2]" 1
768 1 41 VAL QG 1 44 ALA MB . . 4.410 3.642 3.392 3.942 . 0 0 "[ . 1 . 2]" 1
769 1 41 VAL QG 1 45 TRP H . . 5.440 4.347 3.472 4.681 . 0 0 "[ . 1 . 2]" 1
770 1 45 TRP H 1 45 TRP QB . . 3.650 2.224 2.062 2.372 . 0 0 "[ . 1 . 2]" 1
771 1 45 TRP QB 1 45 TRP HD1 . . 3.390 2.886 2.484 3.164 . 0 0 "[ . 1 . 2]" 1
772 1 45 TRP QB 1 46 LYS H . . 3.950 2.958 2.066 3.703 . 0 0 "[ . 1 . 2]" 1
773 1 46 LYS H 1 46 LYS QB . . 3.380 2.519 2.232 3.114 . 0 0 "[ . 1 . 2]" 1
774 1 46 LYS QD 1 47 SER H . . 4.070 3.576 2.565 4.075 0.005 12 0 "[ . 1 . 2]" 1
775 1 48 LYS H 1 48 LYS QB . . 3.430 2.697 2.125 3.409 . 0 0 "[ . 1 . 2]" 1
776 1 48 LYS HA 1 48 LYS QB . . 2.500 2.393 2.290 2.523 0.023 17 0 "[ . 1 . 2]" 1
777 1 48 LYS QB 1 48 LYS QE . . 3.260 2.330 2.091 3.314 0.054 4 0 "[ . 1 . 2]" 1
778 1 48 LYS QB 1 49 ASN H . . 4.460 3.170 1.799 3.996 . 0 0 "[ . 1 . 2]" 1
779 1 49 ASN HA 1 49 ASN QB . . 2.620 2.352 2.187 2.433 . 0 0 "[ . 1 . 2]" 1
780 1 50 LYS H 1 50 LYS QB . . 3.380 2.711 2.208 3.366 . 0 0 "[ . 1 . 2]" 1
781 1 50 LYS QB 1 51 LYS H . . 4.090 3.218 1.707 4.033 . 0 0 "[ . 1 . 2]" 1
782 1 51 LYS H 1 51 LYS QB . . 3.130 2.675 2.267 3.144 0.014 13 0 "[ . 1 . 2]" 1
783 1 51 LYS QB 1 52 ARG H . . 4.050 3.352 1.843 4.024 . 0 0 "[ . 1 . 2]" 1
784 1 52 ARG H 1 52 ARG QB . . 2.980 2.409 2.090 2.650 . 0 0 "[ . 1 . 2]" 1
785 1 52 ARG HA 1 52 ARG QB . . 2.560 2.381 2.230 2.512 . 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 50
_Distance_constraint_stats_list.Viol_count 258
_Distance_constraint_stats_list.Viol_total 81.153
_Distance_constraint_stats_list.Viol_max 0.079
_Distance_constraint_stats_list.Viol_rms 0.0099
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0157
_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 11 LYS 0.262 0.035 19 0 "[ . 1 . 2]"
1 12 TYR 0.544 0.035 15 0 "[ . 1 . 2]"
1 13 ALA 0.088 0.036 19 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 1.283 0.079 19 0 "[ . 1 . 2]"
1 16 ARG 1.106 0.038 13 0 "[ . 1 . 2]"
1 17 ASP 0.254 0.036 19 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 1.021 0.079 19 0 "[ . 1 . 2]"
1 20 ASN 0.562 0.038 13 0 "[ . 1 . 2]"
1 21 THR 0.166 0.014 13 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.519 0.031 10 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 0.776 0.031 10 0 "[ . 1 . 2]"
1 30 ALA 0.084 0.012 1 0 "[ . 1 . 2]"
1 31 CYS 0.128 0.021 15 0 "[ . 1 . 2]"
1 32 ARG 0.013 0.011 10 0 "[ . 1 . 2]"
1 33 GLU 0.336 0.025 7 0 "[ . 1 . 2]"
1 34 GLU 0.109 0.014 13 0 "[ . 1 . 2]"
1 35 PHE 0.137 0.021 15 0 "[ . 1 . 2]"
1 36 HIS 0.054 0.011 10 0 "[ . 1 . 2]"
1 37 ARG 0.129 0.016 10 0 "[ . 1 . 2]"
1 38 ARG 0.078 0.014 13 0 "[ . 1 . 2]"
1 39 LEU 0.075 0.012 16 0 "[ . 1 . 2]"
1 40 LYS 0.089 0.012 6 0 "[ . 1 . 2]"
1 41 VAL 0.093 0.015 8 0 "[ . 1 . 2]"
1 42 TYR 0.053 0.013 18 0 "[ . 1 . 2]"
1 43 HIS 0.066 0.012 16 0 "[ . 1 . 2]"
1 44 ALA 0.048 0.012 6 0 "[ . 1 . 2]"
1 45 TRP 0.043 0.015 8 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 11 LYS O 1 15 LEU H . . 2.000 1.996 1.868 2.035 0.035 19 0 "[ . 1 . 2]" 2
2 1 11 LYS O 1 15 LEU N . . 3.000 2.898 2.793 2.935 . 0 0 "[ . 1 . 2]" 2
3 1 12 TYR O 1 16 ARG H . . 2.000 2.024 2.010 2.035 0.035 15 0 "[ . 1 . 2]" 2
4 1 12 TYR O 1 16 ARG N . . 3.000 3.003 2.990 3.013 0.013 15 0 "[ . 1 . 2]" 2
5 1 13 ALA O 1 17 ASP H . . 2.000 2.000 1.963 2.036 0.036 19 0 "[ . 1 . 2]" 2
6 1 13 ALA O 1 17 ASP N . . 3.000 2.965 2.934 2.983 . 0 0 "[ . 1 . 2]" 2
7 1 14 GLU O 1 18 THR H . . 2.000 1.681 1.638 1.734 . 0 0 "[ . 1 . 2]" 2
8 1 14 GLU O 1 18 THR N . . 3.000 2.626 2.590 2.675 . 0 0 "[ . 1 . 2]" 2
9 1 15 LEU O 1 19 ILE H . . 2.000 2.051 2.031 2.079 0.079 19 0 "[ . 1 . 2]" 2
10 1 15 LEU O 1 19 ILE N . . 3.000 2.918 2.899 2.938 . 0 0 "[ . 1 . 2]" 2
11 1 16 ARG O 1 20 ASN H . . 2.000 2.028 2.011 2.038 0.038 13 0 "[ . 1 . 2]" 2
12 1 16 ARG O 1 20 ASN N . . 3.000 2.749 2.718 2.761 . 0 0 "[ . 1 . 2]" 2
13 1 17 ASP O 1 21 THR H . . 2.000 2.008 2.004 2.014 0.014 13 0 "[ . 1 . 2]" 2
14 1 17 ASP O 1 21 THR N . . 3.000 2.547 2.532 2.575 . 0 0 "[ . 1 . 2]" 2
15 1 24 ASP O 1 28 LEU H . . 2.000 1.813 1.775 1.830 . 0 0 "[ . 1 . 2]" 2
16 1 24 ASP O 1 28 LEU N . . 3.000 2.759 2.724 2.777 . 0 0 "[ . 1 . 2]" 2
17 1 25 ILE O 1 29 ALA H . . 2.000 2.026 2.016 2.031 0.031 10 0 "[ . 1 . 2]" 2
18 1 25 ILE O 1 29 ALA N . . 3.000 2.887 2.874 2.893 . 0 0 "[ . 1 . 2]" 2
19 1 26 GLU O 1 30 ALA H . . 2.000 1.724 1.693 1.774 . 0 0 "[ . 1 . 2]" 2
20 1 26 GLU O 1 30 ALA N . . 3.000 2.678 2.642 2.737 . 0 0 "[ . 1 . 2]" 2
21 1 27 LEU O 1 31 CYS H . . 2.000 1.848 1.781 1.899 . 0 0 "[ . 1 . 2]" 2
22 1 27 LEU O 1 31 CYS N . . 3.000 2.765 2.713 2.826 . 0 0 "[ . 1 . 2]" 2
23 1 28 LEU O 1 32 ARG H . . 2.000 1.770 1.688 1.866 . 0 0 "[ . 1 . 2]" 2
24 1 28 LEU O 1 32 ARG N . . 3.000 2.745 2.654 2.831 . 0 0 "[ . 1 . 2]" 2
25 1 29 ALA O 1 33 GLU H . . 2.000 2.013 1.994 2.025 0.025 7 0 "[ . 1 . 2]" 2
26 1 29 ALA O 1 33 GLU N . . 3.000 2.960 2.908 2.986 . 0 0 "[ . 1 . 2]" 2
27 1 30 ALA O 1 34 GLU H . . 2.000 1.978 1.854 2.012 0.012 1 0 "[ . 1 . 2]" 2
28 1 30 ALA O 1 34 GLU N . . 3.000 2.893 2.696 2.979 . 0 0 "[ . 1 . 2]" 2
29 1 31 CYS O 1 35 PHE H . . 2.000 1.992 1.883 2.021 0.021 15 0 "[ . 1 . 2]" 2
30 1 31 CYS O 1 35 PHE N . . 3.000 2.938 2.778 2.981 . 0 0 "[ . 1 . 2]" 2
31 1 32 ARG O 1 36 HIS H . . 2.000 1.866 1.680 2.011 0.011 10 0 "[ . 1 . 2]" 2
32 1 32 ARG O 1 36 HIS N . . 3.000 2.842 2.645 2.979 . 0 0 "[ . 1 . 2]" 2
33 1 33 GLU O 1 37 ARG H . . 2.000 1.994 1.887 2.016 0.016 10 0 "[ . 1 . 2]" 2
34 1 33 GLU O 1 37 ARG N . . 3.000 2.906 2.772 2.966 . 0 0 "[ . 1 . 2]" 2
35 1 34 GLU O 1 38 ARG H . . 2.000 1.833 1.670 2.014 0.014 13 0 "[ . 1 . 2]" 2
36 1 34 GLU O 1 38 ARG N . . 3.000 2.794 2.630 2.986 . 0 0 "[ . 1 . 2]" 2
37 1 35 PHE O 1 39 LEU H . . 2.000 1.896 1.736 2.009 0.009 16 0 "[ . 1 . 2]" 2
38 1 35 PHE O 1 39 LEU N . . 3.000 2.834 2.637 2.988 . 0 0 "[ . 1 . 2]" 2
39 1 36 HIS O 1 40 LYS H . . 2.000 1.920 1.673 2.010 0.010 2 0 "[ . 1 . 2]" 2
40 1 36 HIS O 1 40 LYS N . . 3.000 2.778 2.466 2.989 . 0 0 "[ . 1 . 2]" 2
41 1 37 ARG O 1 41 VAL H . . 2.000 1.896 1.629 2.011 0.011 8 0 "[ . 1 . 2]" 2
42 1 37 ARG O 1 41 VAL N . . 3.000 2.862 2.585 2.991 . 0 0 "[ . 1 . 2]" 2
43 1 38 ARG O 1 42 TYR H . . 2.000 1.923 1.673 2.013 0.013 18 0 "[ . 1 . 2]" 2
44 1 38 ARG O 1 42 TYR N . . 3.000 2.806 2.560 2.895 . 0 0 "[ . 1 . 2]" 2
45 1 39 LEU O 1 43 HIS H . . 2.000 1.974 1.874 2.012 0.012 16 0 "[ . 1 . 2]" 2
46 1 39 LEU O 1 43 HIS N . . 3.000 2.861 2.735 2.964 . 0 0 "[ . 1 . 2]" 2
47 1 40 LYS O 1 44 ALA H . . 2.000 1.923 1.677 2.012 0.012 6 0 "[ . 1 . 2]" 2
48 1 40 LYS O 1 44 ALA N . . 3.000 2.754 2.424 2.912 . 0 0 "[ . 1 . 2]" 2
49 1 41 VAL O 1 45 TRP H . . 2.000 1.898 1.654 2.015 0.015 8 0 "[ . 1 . 2]" 2
50 1 41 VAL O 1 45 TRP N . . 3.000 2.684 2.396 2.955 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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