NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408384 |
1yws   |
6555 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yws
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 1155
_Distance_constraint_stats_list.Viol_count 1688
_Distance_constraint_stats_list.Viol_total 1561.667
_Distance_constraint_stats_list.Viol_max 0.306
_Distance_constraint_stats_list.Viol_rms 0.0174
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 MET 0.966 0.197 9 0 "[ . 1 . 2]"
1 2 SER 1.092 0.197 9 0 "[ . 1 . 2]"
1 3 THR 2.439 0.110 7 0 "[ . 1 . 2]"
1 4 TYR 0.792 0.113 7 0 "[ . 1 . 2]"
1 5 ASP 1.183 0.122 1 0 "[ . 1 . 2]"
1 6 GLU 0.260 0.050 4 0 "[ . 1 . 2]"
1 7 ILE 5.012 0.228 12 0 "[ . 1 . 2]"
1 8 GLU 0.449 0.143 20 0 "[ . 1 . 2]"
1 9 ILE 1.720 0.143 20 0 "[ . 1 . 2]"
1 10 GLU 0.678 0.058 1 0 "[ . 1 . 2]"
1 11 ASP 0.214 0.071 17 0 "[ . 1 . 2]"
1 12 MET 3.020 0.263 5 0 "[ . 1 . 2]"
1 13 THR 0.566 0.059 5 0 "[ . 1 . 2]"
1 14 PHE 0.302 0.052 17 0 "[ . 1 . 2]"
1 15 GLU 1.905 0.160 2 0 "[ . 1 . 2]"
1 16 PRO 0.700 0.083 4 0 "[ . 1 . 2]"
1 17 GLU 0.586 0.083 4 0 "[ . 1 . 2]"
1 18 ASN 1.422 0.181 7 0 "[ . 1 . 2]"
1 19 GLN 1.431 0.171 17 0 "[ . 1 . 2]"
1 20 MET 3.445 0.181 7 0 "[ . 1 . 2]"
1 21 PHE 0.565 0.077 5 0 "[ . 1 . 2]"
1 22 THR 1.847 0.089 6 0 "[ . 1 . 2]"
1 23 TYR 1.032 0.111 17 0 "[ . 1 . 2]"
1 24 PRO 2.010 0.111 17 0 "[ . 1 . 2]"
1 25 CYS 0.651 0.053 10 0 "[ . 1 . 2]"
1 26 PRO 0.598 0.043 11 0 "[ . 1 . 2]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.074 0.020 2 0 "[ . 1 . 2]"
1 29 ASP 0.854 0.131 13 0 "[ . 1 . 2]"
1 30 ARG 1.628 0.096 8 0 "[ . 1 . 2]"
1 31 PHE 0.387 0.046 1 0 "[ . 1 . 2]"
1 32 GLN 3.169 0.165 18 0 "[ . 1 . 2]"
1 33 ILE 2.228 0.094 7 0 "[ . 1 . 2]"
1 34 TYR 0.459 0.073 7 0 "[ . 1 . 2]"
1 35 LEU 3.280 0.306 19 0 "[ . 1 . 2]"
1 36 ASP 1.783 0.188 19 0 "[ . 1 . 2]"
1 37 ASP 0.464 0.080 11 0 "[ . 1 . 2]"
1 38 MET 2.972 0.306 19 0 "[ . 1 . 2]"
1 39 PHE 0.243 0.051 11 0 "[ . 1 . 2]"
1 40 GLU 1.953 0.071 14 0 "[ . 1 . 2]"
1 41 GLY 0.063 0.027 8 0 "[ . 1 . 2]"
1 42 GLU 1.703 0.172 18 0 "[ . 1 . 2]"
1 43 LYS 5.394 0.255 11 0 "[ . 1 . 2]"
1 44 VAL 4.355 0.248 9 0 "[ . 1 . 2]"
1 45 ALA 1.019 0.081 7 0 "[ . 1 . 2]"
1 46 VAL 4.203 0.257 3 0 "[ . 1 . 2]"
1 47 CYS 5.030 0.257 3 0 "[ . 1 . 2]"
1 48 PRO 1.139 0.104 15 0 "[ . 1 . 2]"
1 49 SER 3.055 0.199 4 0 "[ . 1 . 2]"
1 50 CYS 1.799 0.131 13 0 "[ . 1 . 2]"
1 51 SER 0.895 0.085 6 0 "[ . 1 . 2]"
1 52 LEU 5.897 0.204 16 0 "[ . 1 . 2]"
1 53 MET 6.921 0.204 16 0 "[ . 1 . 2]"
1 54 ILE 6.145 0.160 7 0 "[ . 1 . 2]"
1 55 ASP 4.802 0.157 4 0 "[ . 1 . 2]"
1 56 VAL 3.301 0.177 4 0 "[ . 1 . 2]"
1 57 VAL 1.117 0.228 12 0 "[ . 1 . 2]"
1 58 PHE 0.080 0.024 3 0 "[ . 1 . 2]"
1 59 ASP 4.346 0.163 7 0 "[ . 1 . 2]"
1 60 LYS 2.622 0.142 15 0 "[ . 1 . 2]"
1 61 GLU 2.501 0.142 15 0 "[ . 1 . 2]"
1 62 ASP 3.175 0.163 7 0 "[ . 1 . 2]"
1 63 LEU 1.073 0.039 11 0 "[ . 1 . 2]"
1 64 ALA 0.413 0.108 3 0 "[ . 1 . 2]"
1 65 GLU 1.533 0.186 19 0 "[ . 1 . 2]"
1 66 TYR 0.789 0.069 5 0 "[ . 1 . 2]"
1 67 TYR 2.345 0.143 17 0 "[ . 1 . 2]"
1 68 GLU 1.402 0.127 18 0 "[ . 1 . 2]"
1 69 GLU 1.457 0.224 3 0 "[ . 1 . 2]"
1 70 ALA 0.713 0.115 3 0 "[ . 1 . 2]"
1 71 GLY 0.836 0.102 11 0 "[ . 1 . 2]"
1 72 ILE 2.479 0.171 17 0 "[ . 1 . 2]"
1 73 HIS 0.005 0.005 8 0 "[ . 1 . 2]"
1 74 PRO 0.116 0.045 11 0 "[ . 1 . 2]"
1 75 PRO 0.110 0.045 11 0 "[ . 1 . 2]"
1 77 PRO 1.774 0.195 11 0 "[ . 1 . 2]"
1 78 ILE 2.892 0.196 19 0 "[ . 1 . 2]"
1 79 ALA 0.428 0.173 13 0 "[ . 1 . 2]"
1 80 ALA 0.639 0.173 13 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 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 38 MET HA 1 41 GLY H 3.200 . 4.600 3.550 3.376 3.719 . 0 0 "[ . 1 . 2]" 1
2 1 40 GLU HB2 1 41 GLY H 3.000 . 4.200 3.465 3.076 4.126 . 0 0 "[ . 1 . 2]" 1
3 1 39 PHE HA 1 41 GLY H 2.950 . 4.100 3.657 3.561 3.870 . 0 0 "[ . 1 . 2]" 1
4 1 41 GLY H 1 42 GLU HA 3.435 . 5.070 4.904 4.801 5.001 . 0 0 "[ . 1 . 2]" 1
5 1 40 GLU H 1 41 GLY H 2.575 . 3.350 2.530 2.417 2.699 . 0 0 "[ . 1 . 2]" 1
6 1 40 GLU HB3 1 41 GLY H 2.940 . 4.080 3.812 3.063 4.107 0.027 8 0 "[ . 1 . 2]" 1
7 1 71 GLY H 1 72 ILE MD 3.280 . 4.760 4.531 4.374 4.768 0.008 14 0 "[ . 1 . 2]" 1
8 1 71 GLY H 1 72 ILE HG13 3.020 . 4.240 3.239 3.080 4.242 0.002 14 0 "[ . 1 . 2]" 1
9 1 68 GLU HA 1 71 GLY H 2.780 . 3.760 3.581 3.304 3.862 0.102 11 0 "[ . 1 . 2]" 1
10 1 71 GLY H 1 71 GLY HA2 2.370 . 2.940 2.326 2.296 2.349 . 0 0 "[ . 1 . 2]" 1
11 1 70 ALA MB 1 71 GLY H 2.595 . 3.390 2.967 2.816 3.111 . 0 0 "[ . 1 . 2]" 1
12 1 71 GLY H 1 72 ILE H 2.440 . 3.080 2.474 2.223 2.691 . 0 0 "[ . 1 . 2]" 1
13 1 71 GLY H 1 71 GLY HA3 2.370 . 2.940 2.891 2.850 2.918 . 0 0 "[ . 1 . 2]" 1
14 1 69 GLU HB2 1 71 GLY H 3.650 . 5.500 4.881 4.599 5.398 . 0 0 "[ . 1 . 2]" 1
15 1 69 GLU HB3 1 71 GLY H 3.650 . 5.500 5.182 4.426 5.509 0.009 6 0 "[ . 1 . 2]" 1
16 1 71 GLY H 1 72 ILE HA 3.535 . 5.270 4.955 4.813 5.136 . 0 0 "[ . 1 . 2]" 1
17 1 71 GLY H 1 72 ILE MG 3.650 . 5.500 5.501 4.851 5.600 0.100 5 0 "[ . 1 . 2]" 1
18 1 20 MET ME 1 22 THR H 3.650 . 5.500 5.448 5.301 5.581 0.081 17 0 "[ . 1 . 2]" 1
19 1 15 GLU H 1 22 THR H 3.125 . 4.450 3.962 3.621 4.245 . 0 0 "[ . 1 . 2]" 1
20 1 22 THR H 1 22 THR MG 2.700 . 3.600 3.105 2.900 3.222 . 0 0 "[ . 1 . 2]" 1
21 1 13 THR HB 1 22 THR H 2.900 . 4.000 3.557 3.216 3.791 . 0 0 "[ . 1 . 2]" 1
22 1 21 PHE HA 1 22 THR H 2.455 . 3.110 2.223 2.153 2.275 . 0 0 "[ . 1 . 2]" 1
23 1 21 PHE HB2 1 22 THR H 3.170 . 4.540 4.080 3.958 4.217 . 0 0 "[ . 1 . 2]" 1
24 1 21 PHE HB3 1 22 THR H 3.305 . 4.810 2.953 2.748 3.231 . 0 0 "[ . 1 . 2]" 1
25 1 14 PHE HA 1 22 THR H 3.050 . 4.300 3.318 2.892 4.141 . 0 0 "[ . 1 . 2]" 1
26 1 32 GLN HB3 1 32 GLN HE21 3.060 . 4.320 2.565 1.778 4.292 0.022 6 0 "[ . 1 . 2]" 1
27 1 32 GLN HE22 1 48 PRO HB3 3.390 . 4.980 4.600 4.041 5.002 0.022 9 0 "[ . 1 . 2]" 1
28 1 32 GLN HB2 1 32 GLN HE21 3.060 . 4.320 2.931 1.781 3.868 0.019 10 0 "[ . 1 . 2]" 1
29 1 32 GLN HE21 1 48 PRO HB3 3.390 . 4.980 4.918 4.587 5.084 0.104 15 0 "[ . 1 . 2]" 1
30 1 32 GLN HB3 1 32 GLN HE22 3.060 . 4.320 3.718 3.329 4.447 0.127 18 0 "[ . 1 . 2]" 1
31 1 32 GLN HB2 1 32 GLN HE22 3.060 . 4.320 3.961 3.412 4.393 0.073 18 0 "[ . 1 . 2]" 1
32 1 27 CYS HB2 1 28 GLY H 3.050 . 4.300 3.617 3.460 3.779 . 0 0 "[ . 1 . 2]" 1
33 1 28 GLY H 1 29 ASP HA 3.135 . 4.470 4.162 4.078 4.260 . 0 0 "[ . 1 . 2]" 1
34 1 26 PRO HA 1 28 GLY H 2.935 . 4.070 3.854 3.678 4.079 0.009 8 0 "[ . 1 . 2]" 1
35 1 27 CYS HB3 1 28 GLY H 3.050 . 4.300 3.710 3.650 3.782 . 0 0 "[ . 1 . 2]" 1
36 1 27 CYS H 1 28 GLY H 2.495 . 3.190 2.076 1.877 2.259 . 0 0 "[ . 1 . 2]" 1
37 1 28 GLY H 1 29 ASP HB2 3.475 . 5.150 4.677 4.564 4.782 . 0 0 "[ . 1 . 2]" 1
38 1 28 GLY H 1 29 ASP H 2.455 . 3.110 1.830 1.780 1.916 0.020 2 0 "[ . 1 . 2]" 1
39 1 28 GLY H 1 29 ASP HB3 3.625 . 5.450 4.932 4.727 5.032 . 0 0 "[ . 1 . 2]" 1
40 1 18 ASN H 1 20 MET H 2.840 . 3.880 3.576 3.417 3.870 . 0 0 "[ . 1 . 2]" 1
41 1 18 ASN H 1 18 ASN HB2 2.680 . 3.560 2.518 2.378 2.823 . 0 0 "[ . 1 . 2]" 1
42 1 17 GLU HB2 1 18 ASN H 2.590 . 3.380 2.897 2.576 3.152 . 0 0 "[ . 1 . 2]" 1
43 1 16 PRO HA 1 18 ASN H 3.110 . 4.420 4.031 3.824 4.395 . 0 0 "[ . 1 . 2]" 1
44 1 18 ASN H 1 19 GLN HA 3.320 . 4.840 4.292 4.188 4.508 . 0 0 "[ . 1 . 2]" 1
45 1 18 ASN H 1 18 ASN HB3 2.740 . 3.680 3.400 2.680 3.708 0.028 2 0 "[ . 1 . 2]" 1
46 1 18 ASN H 1 70 ALA MB 3.650 . 5.500 4.914 4.515 5.254 . 0 0 "[ . 1 . 2]" 1
47 1 18 ASN H 1 18 ASN HD21 3.105 . 4.410 3.810 2.600 4.567 0.157 15 0 "[ . 1 . 2]" 1
48 1 62 ASP HB3 1 63 LEU H 3.100 . 4.400 3.391 2.542 4.131 . 0 0 "[ . 1 . 2]" 1
49 1 60 LYS HA 1 63 LEU H 2.915 . 4.030 3.706 3.342 4.035 0.005 7 0 "[ . 1 . 2]" 1
50 1 63 LEU H 1 63 LEU HB2 2.800 . 3.800 2.494 2.437 2.554 . 0 0 "[ . 1 . 2]" 1
51 1 63 LEU H 1 63 LEU HB3 2.695 . 3.590 3.603 3.594 3.610 0.020 3 0 "[ . 1 . 2]" 1
52 1 63 LEU H 1 63 LEU HG 2.550 . 3.300 2.360 2.239 2.489 . 0 0 "[ . 1 . 2]" 1
53 1 63 LEU H 1 63 LEU MD2 2.670 . 3.540 3.147 2.961 3.279 . 0 0 "[ . 1 . 2]" 1
54 1 63 LEU H 1 64 ALA MB 3.185 . 4.570 4.388 4.203 4.524 . 0 0 "[ . 1 . 2]" 1
55 1 63 LEU H 1 63 LEU MD1 2.955 . 4.110 3.764 3.687 3.836 . 0 0 "[ . 1 . 2]" 1
56 1 61 GLU HA 1 63 LEU H 3.370 . 4.940 4.417 4.137 4.650 . 0 0 "[ . 1 . 2]" 1
57 1 46 VAL HA 1 54 ILE H 2.980 . 4.160 3.914 3.682 4.136 . 0 0 "[ . 1 . 2]" 1
58 1 62 ASP HB2 1 63 LEU H 3.100 . 4.400 2.900 2.506 3.823 . 0 0 "[ . 1 . 2]" 1
59 1 53 MET HA 1 54 ILE H 2.575 . 3.350 2.184 2.153 2.205 . 0 0 "[ . 1 . 2]" 1
60 1 3 THR MG 1 54 ILE H 2.835 . 3.870 3.273 3.097 3.491 . 0 0 "[ . 1 . 2]" 1
61 1 54 ILE H 1 54 ILE MG 2.835 . 3.870 2.900 2.761 3.217 . 0 0 "[ . 1 . 2]" 1
62 1 54 ILE H 1 54 ILE MD 2.655 . 3.510 2.054 1.776 3.114 0.024 12 0 "[ . 1 . 2]" 1
63 1 54 ILE H 1 54 ILE HB 2.980 . 4.160 3.948 3.855 4.001 . 0 0 "[ . 1 . 2]" 1
64 1 45 ALA MB 1 54 ILE H 2.860 . 3.920 3.585 3.448 3.750 . 0 0 "[ . 1 . 2]" 1
65 1 53 MET HG3 1 54 ILE H 3.330 . 4.860 4.864 4.716 4.907 0.047 7 0 "[ . 1 . 2]" 1
66 1 44 VAL HA 1 54 ILE H 3.145 . 4.490 4.219 3.957 4.393 . 0 0 "[ . 1 . 2]" 1
67 1 3 THR HA 1 54 ILE H 3.590 . 5.380 4.862 4.457 5.393 0.013 18 0 "[ . 1 . 2]" 1
68 1 53 MET H 1 54 ILE H 3.335 . 4.870 4.366 4.272 4.443 . 0 0 "[ . 1 . 2]" 1
69 1 54 ILE H 1 55 ASP H 3.475 . 5.150 4.386 4.362 4.422 . 0 0 "[ . 1 . 2]" 1
70 1 38 MET HA 1 40 GLU H 3.055 . 4.310 4.014 3.780 4.193 . 0 0 "[ . 1 . 2]" 1
71 1 4 TYR H 1 5 ASP H 2.815 . 3.830 2.305 1.915 2.647 . 0 0 "[ . 1 . 2]" 1
72 1 3 THR HB 1 5 ASP H 2.885 . 3.970 3.368 2.608 4.034 0.064 7 0 "[ . 1 . 2]" 1
73 1 3 THR MG 1 5 ASP H 3.055 . 4.310 4.274 4.055 4.417 0.107 14 0 "[ . 1 . 2]" 1
74 1 4 TYR HB3 1 5 ASP H 3.105 . 4.410 3.629 2.813 4.392 . 0 0 "[ . 1 . 2]" 1
75 1 5 ASP H 1 54 ILE HB 3.060 . 4.320 3.231 2.495 4.393 0.073 7 0 "[ . 1 . 2]" 1
76 1 5 ASP H 1 54 ILE HA 2.690 . 3.580 3.000 2.512 3.535 . 0 0 "[ . 1 . 2]" 1
77 1 5 ASP H 1 54 ILE MG 2.610 . 3.420 2.830 2.430 3.206 . 0 0 "[ . 1 . 2]" 1
78 1 39 PHE HB3 1 40 GLU H 3.050 . 4.300 2.937 2.741 3.198 . 0 0 "[ . 1 . 2]" 1
79 1 5 ASP H 1 55 ASP H 2.960 . 4.120 3.597 3.163 3.953 . 0 0 "[ . 1 . 2]" 1
80 1 40 GLU H 1 40 GLU HB3 2.650 . 3.500 3.344 2.472 3.571 0.071 14 0 "[ . 1 . 2]" 1
81 1 39 PHE HB2 1 40 GLU H 3.050 . 4.300 4.032 3.956 4.139 . 0 0 "[ . 1 . 2]" 1
82 1 37 ASP HA 1 40 GLU H 2.740 . 3.680 3.358 2.939 3.675 . 0 0 "[ . 1 . 2]" 1
83 1 38 MET HB3 1 40 GLU H 3.650 . 5.500 5.392 5.189 5.565 0.065 18 0 "[ . 1 . 2]" 1
84 1 40 GLU H 1 40 GLU HB2 2.525 . 3.250 2.346 2.135 2.593 . 0 0 "[ . 1 . 2]" 1
85 1 4 TYR HB2 1 5 ASP H 3.105 . 4.410 3.721 3.092 4.251 . 0 0 "[ . 1 . 2]" 1
86 1 38 MET H 1 40 GLU H 3.075 . 4.350 3.913 3.799 4.018 . 0 0 "[ . 1 . 2]" 1
87 1 48 PRO HA 1 51 SER H 2.990 . 4.180 3.505 3.384 3.613 . 0 0 "[ . 1 . 2]" 1
88 1 51 SER H 1 51 SER HA 2.330 . 2.860 2.255 2.239 2.264 . 0 0 "[ . 1 . 2]" 1
89 1 50 CYS H 1 51 SER H 2.485 . 3.170 2.185 2.146 2.259 . 0 0 "[ . 1 . 2]" 1
90 1 49 SER H 1 51 SER H 2.720 . 3.640 3.658 3.544 3.708 0.068 4 0 "[ . 1 . 2]" 1
91 1 47 CYS HB3 1 51 SER H 2.855 . 3.910 3.525 3.413 3.660 . 0 0 "[ . 1 . 2]" 1
92 1 3 THR H 1 53 MET ME 3.475 . 5.150 4.917 4.170 5.196 0.046 2 0 "[ . 1 . 2]" 1
93 1 2 SER HA 1 3 THR H 2.300 . 2.800 2.488 2.173 2.851 0.051 11 0 "[ . 1 . 2]" 1
94 1 3 THR H 1 3 THR HB 2.760 . 3.720 3.561 3.503 3.626 . 0 0 "[ . 1 . 2]" 1
95 1 3 THR H 1 3 THR MG 2.505 . 3.210 2.653 2.445 2.969 . 0 0 "[ . 1 . 2]" 1
96 1 2 SER H 1 3 THR H 3.250 . 4.700 4.432 4.262 4.627 . 0 0 "[ . 1 . 2]" 1
97 1 19 GLN H 1 19 GLN HE21 3.005 . 4.210 2.438 2.027 2.681 . 0 0 "[ . 1 . 2]" 1
98 1 19 GLN H 1 19 GLN HE22 3.005 . 4.210 3.402 3.209 3.715 . 0 0 "[ . 1 . 2]" 1
99 1 17 GLU H 1 19 GLN H 2.920 . 4.040 3.742 3.438 3.930 . 0 0 "[ . 1 . 2]" 1
100 1 19 GLN H 1 20 MET H 2.580 . 3.360 2.753 2.602 2.853 . 0 0 "[ . 1 . 2]" 1
101 1 18 ASN H 1 19 GLN H 2.440 . 3.080 2.127 1.966 2.258 . 0 0 "[ . 1 . 2]" 1
102 1 17 GLU HB2 1 19 GLN H 3.565 . 5.330 4.791 4.515 5.002 . 0 0 "[ . 1 . 2]" 1
103 1 18 ASN HB2 1 19 GLN H 3.090 . 4.380 3.766 3.343 4.275 . 0 0 "[ . 1 . 2]" 1
104 1 17 GLU HA 1 19 GLN H 3.105 . 4.410 4.060 3.922 4.182 . 0 0 "[ . 1 . 2]" 1
105 1 19 GLN H 1 20 MET ME 3.650 . 5.500 5.495 5.138 5.659 0.159 17 0 "[ . 1 . 2]" 1
106 1 35 LEU HG 1 36 ASP H 3.605 . 5.410 5.157 4.571 5.310 . 0 0 "[ . 1 . 2]" 1
107 1 65 GLU H 1 65 GLU HB2 2.440 . 3.080 2.357 2.045 2.492 . 0 0 "[ . 1 . 2]" 1
108 1 64 ALA MB 1 65 GLU H 2.350 . 2.900 2.503 2.364 2.670 . 0 0 "[ . 1 . 2]" 1
109 1 65 GLU H 1 65 GLU HB3 2.565 . 3.330 2.780 2.525 3.516 0.186 19 0 "[ . 1 . 2]" 1
110 1 65 GLU H 1 66 TYR H 2.595 . 3.390 2.680 2.569 2.769 . 0 0 "[ . 1 . 2]" 1
111 1 36 ASP H 1 38 MET HB2 3.565 . 5.330 5.201 4.893 5.392 0.062 19 0 "[ . 1 . 2]" 1
112 1 34 TYR HB3 1 36 ASP H 3.020 . 4.240 2.872 2.533 3.293 . 0 0 "[ . 1 . 2]" 1
113 1 35 LEU H 1 36 ASP H 2.835 . 3.870 2.608 2.437 2.715 . 0 0 "[ . 1 . 2]" 1
114 1 36 ASP H 1 37 ASP H 2.725 . 3.650 2.737 2.585 2.848 . 0 0 "[ . 1 . 2]" 1
115 1 36 ASP H 1 36 ASP HB2 2.600 . 3.400 2.592 2.296 3.566 0.166 8 0 "[ . 1 . 2]" 1
116 1 34 TYR HB2 1 36 ASP H 3.020 . 4.240 3.688 3.163 3.984 . 0 0 "[ . 1 . 2]" 1
117 1 36 ASP H 1 36 ASP HB3 2.600 . 3.400 2.807 2.373 3.566 0.166 13 0 "[ . 1 . 2]" 1
118 1 35 LEU MD2 1 36 ASP H 3.245 . 4.690 4.600 4.070 4.855 0.165 13 0 "[ . 1 . 2]" 1
119 1 34 TYR HA 1 36 ASP H 3.015 . 4.230 4.005 3.763 4.282 0.052 6 0 "[ . 1 . 2]" 1
120 1 63 LEU HA 1 65 GLU H 3.445 . 5.090 4.509 4.225 4.760 . 0 0 "[ . 1 . 2]" 1
121 1 32 GLN H 1 45 ALA HA 3.170 . 4.540 4.406 4.041 4.574 0.034 11 0 "[ . 1 . 2]" 1
122 1 35 LEU MD1 1 36 ASP H 3.245 . 4.690 4.175 3.741 4.716 0.026 19 0 "[ . 1 . 2]" 1
123 1 31 PHE HB3 1 32 GLN H 2.840 . 3.880 3.268 3.033 3.584 . 0 0 "[ . 1 . 2]" 1
124 1 32 GLN H 1 33 ILE H 3.095 . 4.390 4.355 4.241 4.423 0.033 2 0 "[ . 1 . 2]" 1
125 1 32 GLN H 1 32 GLN HB3 2.970 . 4.140 3.209 2.650 3.780 . 0 0 "[ . 1 . 2]" 1
126 1 32 GLN H 1 54 ILE MD 3.620 . 5.440 5.287 4.952 5.511 0.071 3 0 "[ . 1 . 2]" 1
127 1 31 PHE HA 1 32 GLN H 2.515 . 3.230 2.176 2.128 2.230 . 0 0 "[ . 1 . 2]" 1
128 1 32 GLN H 1 32 GLN HB2 2.970 . 4.140 3.477 2.529 3.873 . 0 0 "[ . 1 . 2]" 1
129 1 72 ILE H 1 73 HIS H 3.225 . 4.650 4.520 4.447 4.611 . 0 0 "[ . 1 . 2]" 1
130 1 72 ILE H 1 72 ILE HG13 2.560 . 3.320 2.034 1.788 2.402 0.012 17 0 "[ . 1 . 2]" 1
131 1 32 GLN H 1 47 CYS HA 2.885 . 3.970 3.032 2.696 3.199 . 0 0 "[ . 1 . 2]" 1
132 1 68 GLU HA 1 72 ILE H 2.955 . 4.110 3.947 3.500 4.237 0.127 18 0 "[ . 1 . 2]" 1
133 1 32 GLN H 1 45 ALA MB 2.760 . 3.720 3.223 2.932 3.443 . 0 0 "[ . 1 . 2]" 1
134 1 72 ILE H 1 72 ILE HB 2.730 . 3.660 2.833 2.537 3.589 . 0 0 "[ . 1 . 2]" 1
135 1 72 ILE H 1 72 ILE HG12 2.655 . 3.510 3.043 2.141 3.426 . 0 0 "[ . 1 . 2]" 1
136 1 72 ILE H 1 72 ILE MG 2.985 . 4.170 3.777 3.386 3.842 . 0 0 "[ . 1 . 2]" 1
137 1 72 ILE H 1 72 ILE MD 3.115 . 4.430 3.646 3.497 3.717 . 0 0 "[ . 1 . 2]" 1
138 1 70 ALA MB 1 72 ILE H 2.710 . 3.620 3.417 3.062 3.644 0.024 19 0 "[ . 1 . 2]" 1
139 1 36 ASP H 1 38 MET HG3 3.605 . 5.410 4.864 4.566 5.144 . 0 0 "[ . 1 . 2]" 1
140 1 18 ASN HB3 1 20 MET H 3.160 . 4.520 3.931 3.095 4.519 . 0 0 "[ . 1 . 2]" 1
141 1 20 MET H 1 22 THR MG 3.620 . 5.440 5.080 4.694 5.455 0.015 20 0 "[ . 1 . 2]" 1
142 1 18 ASN HB2 1 20 MET H 3.385 . 4.970 3.883 3.114 4.966 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLN HA 1 20 MET H 2.510 . 3.220 2.831 2.738 3.083 . 0 0 "[ . 1 . 2]" 1
144 1 15 GLU HA 1 20 MET H 3.375 . 4.950 5.041 4.988 5.110 0.160 2 0 "[ . 1 . 2]" 1
145 1 1 MET HB2 1 2 SER H 3.340 . 4.880 3.828 1.819 4.494 . 0 0 "[ . 1 . 2]" 1
146 1 2 SER H 1 53 MET ME 3.615 . 5.430 4.045 2.336 4.950 . 0 0 "[ . 1 . 2]" 1
147 1 1 MET HA 1 2 SER H 2.545 . 3.290 3.015 2.251 3.487 0.197 9 0 "[ . 1 . 2]" 1
148 1 1 MET HB3 1 2 SER H 3.340 . 4.880 3.938 2.415 4.590 . 0 0 "[ . 1 . 2]" 1
149 1 9 ILE HA 1 11 ASP H 3.115 . 4.430 4.006 3.651 4.220 . 0 0 "[ . 1 . 2]" 1
150 1 9 ILE MG 1 11 ASP H 3.135 . 4.470 4.385 4.263 4.461 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLU H 1 11 ASP H 2.620 . 3.440 2.635 2.517 2.769 . 0 0 "[ . 1 . 2]" 1
152 1 11 ASP H 1 11 ASP HB2 2.650 . 3.500 2.575 2.269 2.782 . 0 0 "[ . 1 . 2]" 1
153 1 8 GLU HB3 1 11 ASP H 2.910 . 4.020 3.681 2.868 4.038 0.018 2 0 "[ . 1 . 2]" 1
154 1 11 ASP H 1 12 MET H 2.470 . 3.140 2.402 2.294 2.483 . 0 0 "[ . 1 . 2]" 1
155 1 11 ASP H 1 11 ASP HB3 2.650 . 3.500 2.654 2.525 3.571 0.071 17 0 "[ . 1 . 2]" 1
156 1 8 GLU HB2 1 11 ASP H 2.910 . 4.020 3.032 2.387 3.567 . 0 0 "[ . 1 . 2]" 1
157 1 7 ILE MG 1 11 ASP H 3.020 . 4.240 3.596 3.308 4.058 . 0 0 "[ . 1 . 2]" 1
158 1 60 LYS H 1 61 GLU H 2.785 . 3.770 2.619 2.511 2.745 . 0 0 "[ . 1 . 2]" 1
159 1 59 ASP HA 1 61 GLU H 3.315 . 4.830 4.208 4.046 4.452 . 0 0 "[ . 1 . 2]" 1
160 1 59 ASP HB2 1 61 GLU H 3.085 . 4.370 4.411 4.251 4.510 0.140 15 0 "[ . 1 . 2]" 1
161 1 60 LYS HB2 1 61 GLU H 2.640 . 3.480 2.640 2.370 2.993 . 0 0 "[ . 1 . 2]" 1
162 1 65 GLU HA 1 68 GLU H 2.905 . 4.010 3.679 3.297 3.876 . 0 0 "[ . 1 . 2]" 1
163 1 67 TYR HB3 1 68 GLU H 2.915 . 4.030 2.994 2.529 3.332 . 0 0 "[ . 1 . 2]" 1
164 1 67 TYR HB2 1 68 GLU H 2.915 . 4.030 3.309 2.540 4.118 0.088 3 0 "[ . 1 . 2]" 1
165 1 59 ASP HB3 1 61 GLU H 2.715 . 3.630 3.068 2.690 3.596 . 0 0 "[ . 1 . 2]" 1
166 1 68 GLU H 1 68 GLU HG2 3.650 . 5.500 3.777 2.320 4.563 . 0 0 "[ . 1 . 2]" 1
167 1 68 GLU H 1 68 GLU HG3 3.650 . 5.500 3.655 2.072 4.479 . 0 0 "[ . 1 . 2]" 1
168 1 68 GLU H 1 69 GLU HB2 3.650 . 5.500 4.649 4.417 4.834 . 0 0 "[ . 1 . 2]" 1
169 1 66 TYR H 1 68 GLU H 3.210 . 4.620 4.269 4.128 4.406 . 0 0 "[ . 1 . 2]" 1
170 1 67 TYR H 1 68 GLU H 2.600 . 3.400 2.826 2.765 2.928 . 0 0 "[ . 1 . 2]" 1
171 1 64 ALA MB 1 68 GLU H 3.440 . 5.080 4.943 4.798 5.081 0.001 19 0 "[ . 1 . 2]" 1
172 1 68 GLU H 1 70 ALA MB 3.650 . 5.500 5.171 4.864 5.425 . 0 0 "[ . 1 . 2]" 1
173 1 60 LYS HB3 1 61 GLU H 2.720 . 3.640 3.674 3.564 3.782 0.142 15 0 "[ . 1 . 2]" 1
174 1 17 GLU H 1 18 ASN HB2 3.315 . 4.830 4.762 4.415 4.901 0.071 7 0 "[ . 1 . 2]" 1
175 1 42 GLU HA 1 43 LYS H 2.395 . 2.990 2.211 2.094 2.400 . 0 0 "[ . 1 . 2]" 1
176 1 43 LYS H 1 44 VAL H 2.945 . 4.090 3.951 3.714 4.109 0.019 8 0 "[ . 1 . 2]" 1
177 1 16 PRO HD2 1 17 GLU H 2.915 . 4.030 2.856 2.704 3.023 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLU HA 1 17 GLU H 2.935 . 4.070 3.524 3.303 3.809 . 0 0 "[ . 1 . 2]" 1
179 1 52 LEU H 1 53 MET H 3.040 . 4.280 4.417 4.319 4.484 0.204 16 0 "[ . 1 . 2]" 1
180 1 16 PRO HD3 1 17 GLU H 2.915 . 4.030 3.958 3.876 4.089 0.059 20 0 "[ . 1 . 2]" 1
181 1 17 GLU H 1 18 ASN H 2.550 . 3.300 2.558 2.195 2.709 . 0 0 "[ . 1 . 2]" 1
182 1 17 GLU H 1 17 GLU HB2 2.300 . 2.800 2.584 2.368 2.875 0.075 20 0 "[ . 1 . 2]" 1
183 1 52 LEU HG 1 53 MET H 2.930 . 4.060 3.135 2.269 4.212 0.152 7 0 "[ . 1 . 2]" 1
184 1 53 MET H 1 53 MET HG3 2.865 . 3.930 3.012 2.660 3.337 . 0 0 "[ . 1 . 2]" 1
185 1 3 THR MG 1 53 MET H 3.475 . 5.150 4.699 4.050 5.206 0.056 5 0 "[ . 1 . 2]" 1
186 1 43 LYS H 1 43 LYS HB2 2.915 . 4.030 3.783 3.604 3.951 . 0 0 "[ . 1 . 2]" 1
187 1 52 LEU HA 1 53 MET H 2.435 . 3.070 2.222 2.100 2.318 . 0 0 "[ . 1 . 2]" 1
188 1 53 MET H 1 53 MET HG2 3.245 . 4.690 4.232 4.022 4.421 . 0 0 "[ . 1 . 2]" 1
189 1 17 GLU H 1 18 ASN HA 3.650 . 5.500 5.209 4.922 5.321 . 0 0 "[ . 1 . 2]" 1
190 1 46 VAL HA 1 53 MET H 3.290 . 4.780 4.773 4.683 4.845 0.065 9 0 "[ . 1 . 2]" 1
191 1 37 ASP H 1 38 MET HG3 3.115 . 4.430 3.961 3.789 4.146 . 0 0 "[ . 1 . 2]" 1
192 1 34 TYR HA 1 37 ASP H 3.290 . 4.780 4.694 4.334 4.795 0.015 6 0 "[ . 1 . 2]" 1
193 1 37 ASP H 1 37 ASP HB3 2.740 . 3.680 3.417 2.579 3.614 . 0 0 "[ . 1 . 2]" 1
194 1 37 ASP H 1 38 MET HB2 3.435 . 5.070 4.806 4.554 5.057 . 0 0 "[ . 1 . 2]" 1
195 1 37 ASP H 1 40 GLU HB2 3.600 . 5.400 5.257 4.964 5.467 0.067 3 0 "[ . 1 . 2]" 1
196 1 37 ASP H 1 37 ASP HB2 2.740 . 3.680 2.402 2.175 2.573 . 0 0 "[ . 1 . 2]" 1
197 1 12 MET H 1 13 THR H 3.310 . 4.820 4.609 4.487 4.647 . 0 0 "[ . 1 . 2]" 1
198 1 7 ILE MG 1 12 MET H 3.055 . 4.310 3.646 2.705 4.320 0.010 4 0 "[ . 1 . 2]" 1
199 1 9 ILE HA 1 12 MET H 2.845 . 3.890 3.481 3.171 3.692 . 0 0 "[ . 1 . 2]" 1
200 1 7 ILE MD 1 12 MET H 3.650 . 5.500 5.581 5.458 5.658 0.158 1 0 "[ . 1 . 2]" 1
201 1 64 ALA HA 1 67 TYR H 2.740 . 3.680 3.572 3.410 3.718 0.038 10 0 "[ . 1 . 2]" 1
202 1 64 ALA MB 1 67 TYR H 3.435 . 5.070 4.650 4.541 4.762 . 0 0 "[ . 1 . 2]" 1
203 1 67 TYR H 1 70 ALA MB 3.640 . 5.480 4.863 4.588 5.169 . 0 0 "[ . 1 . 2]" 1
204 1 66 TYR HB2 1 67 TYR H 2.900 . 4.000 3.643 2.796 4.019 0.019 13 0 "[ . 1 . 2]" 1
205 1 67 TYR H 1 67 TYR HB3 2.625 . 3.450 2.926 2.059 3.573 0.123 2 0 "[ . 1 . 2]" 1
206 1 67 TYR H 1 67 TYR HB2 2.625 . 3.450 2.528 2.064 3.173 . 0 0 "[ . 1 . 2]" 1
207 1 66 TYR HB3 1 67 TYR H 2.900 . 4.000 3.002 2.633 3.735 . 0 0 "[ . 1 . 2]" 1
208 1 67 TYR H 1 72 ILE MD 3.220 . 4.640 3.899 3.374 4.477 . 0 0 "[ . 1 . 2]" 1
209 1 35 LEU MD2 1 67 TYR H 3.530 . 5.260 4.857 3.586 5.367 0.107 14 0 "[ . 1 . 2]" 1
210 1 65 GLU HA 1 67 TYR H 3.390 . 4.980 4.442 4.247 4.630 . 0 0 "[ . 1 . 2]" 1
211 1 35 LEU MD1 1 67 TYR H 3.530 . 5.260 4.505 3.828 5.117 . 0 0 "[ . 1 . 2]" 1
212 1 67 TYR H 1 72 ILE HG13 3.470 . 5.140 5.010 4.640 5.189 0.049 10 0 "[ . 1 . 2]" 1
213 1 7 ILE HB 1 12 MET H 3.425 . 5.050 4.589 4.256 4.964 . 0 0 "[ . 1 . 2]" 1
214 1 62 ASP H 1 63 LEU HA 3.650 . 5.500 5.284 5.179 5.396 . 0 0 "[ . 1 . 2]" 1
215 1 49 SER H 1 50 CYS HA 3.570 . 5.340 5.259 5.198 5.399 0.059 5 0 "[ . 1 . 2]" 1
216 1 62 ASP H 1 62 ASP HB3 2.705 . 3.610 3.424 2.616 3.610 0.000 14 0 "[ . 1 . 2]" 1
217 1 62 ASP H 1 63 LEU H 2.550 . 3.300 2.683 2.544 2.842 . 0 0 "[ . 1 . 2]" 1
218 1 62 ASP H 1 62 ASP HB2 2.705 . 3.610 2.433 2.172 3.674 0.064 7 0 "[ . 1 . 2]" 1
219 1 60 LYS HA 1 62 ASP H 3.200 . 4.600 4.557 4.416 4.649 0.049 7 0 "[ . 1 . 2]" 1
220 1 59 ASP HB2 1 62 ASP H 2.750 . 3.700 3.803 3.538 3.863 0.163 7 0 "[ . 1 . 2]" 1
221 1 61 GLU H 1 62 ASP H 2.505 . 3.210 2.551 2.286 2.776 . 0 0 "[ . 1 . 2]" 1
222 1 59 ASP HB3 1 62 ASP H 2.790 . 3.780 2.139 2.041 2.683 . 0 0 "[ . 1 . 2]" 1
223 1 60 LYS HB2 1 62 ASP H 3.650 . 5.500 5.035 4.670 5.362 . 0 0 "[ . 1 . 2]" 1
224 1 62 ASP H 1 63 LEU HB2 3.650 . 5.500 4.845 4.664 4.977 . 0 0 "[ . 1 . 2]" 1
225 1 62 ASP H 1 65 GLU HB2 3.650 . 5.500 5.383 4.967 5.627 0.127 17 0 "[ . 1 . 2]" 1
226 1 13 THR H 1 13 THR HB 2.490 . 3.180 2.596 2.506 2.714 . 0 0 "[ . 1 . 2]" 1
227 1 48 PRO HG2 1 49 SER H 3.265 . 4.730 4.686 4.625 4.769 0.039 3 0 "[ . 1 . 2]" 1
228 1 59 ASP HA 1 62 ASP H 3.275 . 4.750 4.545 4.333 4.765 0.015 12 0 "[ . 1 . 2]" 1
229 1 62 ASP H 1 64 ALA H 3.225 . 4.650 4.281 4.098 4.439 . 0 0 "[ . 1 . 2]" 1
230 1 48 PRO HB2 1 49 SER H 2.880 . 3.960 2.924 2.875 2.967 . 0 0 "[ . 1 . 2]" 1
231 1 12 MET HA 1 13 THR H 2.505 . 3.210 2.276 2.165 2.488 . 0 0 "[ . 1 . 2]" 1
232 1 62 ASP H 1 63 LEU MD2 3.485 . 5.170 5.173 5.107 5.205 0.035 15 0 "[ . 1 . 2]" 1
233 1 13 THR H 1 22 THR H 2.790 . 3.780 3.631 3.378 3.825 0.045 13 0 "[ . 1 . 2]" 1
234 1 12 MET ME 1 13 THR H 2.925 . 4.050 3.672 3.131 4.109 0.059 5 0 "[ . 1 . 2]" 1
235 1 48 PRO HB3 1 49 SER H 2.800 . 3.800 3.589 3.461 3.685 . 0 0 "[ . 1 . 2]" 1
236 1 13 THR H 1 13 THR MG 2.850 . 3.900 3.789 3.742 3.847 . 0 0 "[ . 1 . 2]" 1
237 1 48 PRO HA 1 49 SER H 2.560 . 3.320 2.270 2.236 2.288 . 0 0 "[ . 1 . 2]" 1
238 1 13 THR H 1 21 PHE HB3 3.320 . 4.840 4.509 4.148 4.753 . 0 0 "[ . 1 . 2]" 1
239 1 66 TYR HA 1 70 ALA H 3.115 . 4.430 3.679 3.414 3.947 . 0 0 "[ . 1 . 2]" 1
240 1 67 TYR HA 1 70 ALA H 3.310 . 4.820 3.828 3.629 4.065 . 0 0 "[ . 1 . 2]" 1
241 1 69 GLU H 1 70 ALA H 2.530 . 3.260 2.669 2.473 2.827 . 0 0 "[ . 1 . 2]" 1
242 1 16 PRO HA 1 70 ALA H 3.425 . 5.050 4.759 4.333 5.071 0.021 7 0 "[ . 1 . 2]" 1
243 1 70 ALA H 1 70 ALA MB 2.320 . 2.840 2.263 2.241 2.298 . 0 0 "[ . 1 . 2]" 1
244 1 69 GLU HB2 1 70 ALA H 2.630 . 3.460 2.788 2.363 3.575 0.115 3 0 "[ . 1 . 2]" 1
245 1 69 GLU HB3 1 70 ALA H 2.860 . 3.920 3.384 2.126 3.790 . 0 0 "[ . 1 . 2]" 1
246 1 68 GLU H 1 70 ALA H 3.365 . 4.930 4.213 4.021 4.483 . 0 0 "[ . 1 . 2]" 1
247 1 70 ALA H 1 72 ILE H 3.605 . 5.410 4.162 3.790 4.548 . 0 0 "[ . 1 . 2]" 1
248 1 70 ALA H 1 72 ILE HG13 3.145 . 4.490 3.721 3.412 4.494 0.004 14 0 "[ . 1 . 2]" 1
249 1 31 PHE HA 1 46 VAL H 3.430 . 5.060 4.435 4.149 4.679 . 0 0 "[ . 1 . 2]" 1
250 1 45 ALA H 1 46 VAL H 3.255 . 4.710 4.484 4.438 4.514 . 0 0 "[ . 1 . 2]" 1
251 1 31 PHE HB3 1 46 VAL H 3.320 . 4.840 4.399 4.231 4.696 . 0 0 "[ . 1 . 2]" 1
252 1 46 VAL H 1 47 CYS H 3.255 . 4.710 4.382 4.241 4.446 . 0 0 "[ . 1 . 2]" 1
253 1 45 ALA HA 1 46 VAL H 2.540 . 3.280 2.179 2.140 2.227 . 0 0 "[ . 1 . 2]" 1
254 1 46 VAL H 1 46 VAL HB 2.540 . 3.280 2.963 2.643 3.172 . 0 0 "[ . 1 . 2]" 1
255 1 33 ILE HB 1 46 VAL H 3.180 . 4.560 3.668 3.473 4.034 . 0 0 "[ . 1 . 2]" 1
256 1 45 ALA MB 1 46 VAL H 2.480 . 3.160 2.889 2.770 3.032 . 0 0 "[ . 1 . 2]" 1
257 1 33 ILE HA 1 46 VAL H 3.110 . 4.420 3.855 3.472 4.225 . 0 0 "[ . 1 . 2]" 1
258 1 8 GLU HA 1 10 GLU H 3.080 . 4.360 4.005 3.697 4.208 . 0 0 "[ . 1 . 2]" 1
259 1 9 ILE MD 1 10 GLU H 3.480 . 5.160 4.815 4.674 4.937 . 0 0 "[ . 1 . 2]" 1
260 1 9 ILE HB 1 10 GLU H 3.140 . 4.480 4.040 3.893 4.083 . 0 0 "[ . 1 . 2]" 1
261 1 63 LEU H 1 66 TYR H 3.485 . 5.170 4.788 4.585 4.945 . 0 0 "[ . 1 . 2]" 1
262 1 8 GLU HB2 1 10 GLU H 3.130 . 4.460 3.429 3.222 3.884 . 0 0 "[ . 1 . 2]" 1
263 1 9 ILE MG 1 10 GLU H 2.425 . 3.050 2.296 2.200 2.369 . 0 0 "[ . 1 . 2]" 1
264 1 9 ILE H 1 10 GLU H 2.765 . 3.730 2.694 2.504 2.800 . 0 0 "[ . 1 . 2]" 1
265 1 63 LEU HA 1 66 TYR H 2.990 . 4.180 3.636 3.445 3.810 . 0 0 "[ . 1 . 2]" 1
266 1 8 GLU HB3 1 10 GLU H 3.130 . 4.460 2.670 2.260 2.936 . 0 0 "[ . 1 . 2]" 1
267 1 10 GLU H 1 10 GLU HG2 3.470 . 5.140 3.491 1.988 4.541 . 0 0 "[ . 1 . 2]" 1
268 1 10 GLU H 1 10 GLU HG3 3.470 . 5.140 3.234 1.846 4.513 . 0 0 "[ . 1 . 2]" 1
269 1 66 TYR H 1 66 TYR HB3 2.755 . 3.710 2.842 2.374 3.602 . 0 0 "[ . 1 . 2]" 1
270 1 65 GLU HB2 1 66 TYR H 2.770 . 3.740 3.542 2.801 3.782 0.042 12 0 "[ . 1 . 2]" 1
271 1 65 GLU HB3 1 66 TYR H 2.705 . 3.610 2.585 2.221 3.624 0.014 19 0 "[ . 1 . 2]" 1
272 1 66 TYR H 1 67 TYR H 2.580 . 3.360 2.629 2.538 2.711 . 0 0 "[ . 1 . 2]" 1
273 1 9 ILE HG13 1 10 GLU H 3.300 . 4.800 4.832 4.794 4.858 0.058 1 0 "[ . 1 . 2]" 1
274 1 64 ALA HA 1 66 TYR H 3.370 . 4.940 4.604 4.332 4.869 . 0 0 "[ . 1 . 2]" 1
275 1 66 TYR H 1 66 TYR HB2 2.755 . 3.710 2.498 2.237 2.643 . 0 0 "[ . 1 . 2]" 1
276 1 10 GLU H 1 12 MET H 3.245 . 4.690 4.237 3.992 4.489 . 0 0 "[ . 1 . 2]" 1
277 1 9 ILE HG12 1 10 GLU H 3.300 . 4.800 4.054 3.886 4.251 . 0 0 "[ . 1 . 2]" 1
278 1 44 VAL H 1 44 VAL HB 2.815 . 3.830 3.651 3.622 3.687 . 0 0 "[ . 1 . 2]" 1
279 1 38 MET HG2 1 44 VAL H 2.975 . 4.150 4.036 3.754 4.250 0.100 13 0 "[ . 1 . 2]" 1
280 1 33 ILE MD 1 44 VAL H 2.960 . 4.120 2.030 1.781 2.265 0.019 17 0 "[ . 1 . 2]" 1
281 1 66 TYR H 1 69 GLU HB2 3.445 . 5.090 4.934 4.568 5.159 0.069 5 0 "[ . 1 . 2]" 1
282 1 44 VAL H 1 44 VAL MG2 3.045 . 4.290 3.930 3.893 3.981 . 0 0 "[ . 1 . 2]" 1
283 1 43 LYS HB2 1 44 VAL H 2.855 . 3.910 3.817 3.764 3.880 . 0 0 "[ . 1 . 2]" 1
284 1 24 PRO HA 1 31 PHE H 3.160 . 4.520 4.511 4.315 4.566 0.046 1 0 "[ . 1 . 2]" 1
285 1 30 ARG HA 1 31 PHE H 2.550 . 3.300 2.295 2.253 2.329 . 0 0 "[ . 1 . 2]" 1
286 1 44 VAL H 1 44 VAL MG1 3.045 . 4.290 2.547 2.462 2.608 . 0 0 "[ . 1 . 2]" 1
287 1 30 ARG HB2 1 31 PHE H 3.065 . 4.330 2.816 2.566 3.524 . 0 0 "[ . 1 . 2]" 1
288 1 31 PHE H 1 31 PHE HB3 2.805 . 3.810 3.615 3.605 3.632 . 0 0 "[ . 1 . 2]" 1
289 1 22 THR HA 1 31 PHE H 3.490 . 5.180 5.030 4.803 5.201 0.021 13 0 "[ . 1 . 2]" 1
290 1 30 ARG HB3 1 31 PHE H 3.065 . 4.330 3.777 2.804 4.000 . 0 0 "[ . 1 . 2]" 1
291 1 44 VAL H 1 45 ALA HA 3.230 . 4.660 4.431 4.359 4.548 . 0 0 "[ . 1 . 2]" 1
292 1 6 GLU H 1 54 ILE MG 3.650 . 5.500 4.946 4.572 5.318 . 0 0 "[ . 1 . 2]" 1
293 1 5 ASP H 1 6 GLU H 3.190 . 4.580 4.424 4.348 4.495 . 0 0 "[ . 1 . 2]" 1
294 1 6 GLU H 1 7 ILE MD 3.035 . 4.270 3.667 3.340 4.246 . 0 0 "[ . 1 . 2]" 1
295 1 5 ASP HA 1 6 GLU H 2.320 . 2.840 2.382 2.141 2.562 . 0 0 "[ . 1 . 2]" 1
296 1 5 ASP HB3 1 6 GLU H 3.035 . 4.270 2.888 2.253 3.540 . 0 0 "[ . 1 . 2]" 1
297 1 5 ASP HB2 1 6 GLU H 3.035 . 4.270 3.892 3.646 4.294 0.024 1 0 "[ . 1 . 2]" 1
298 1 9 ILE HB 1 59 ASP H 3.505 . 5.210 4.279 3.875 4.731 . 0 0 "[ . 1 . 2]" 1
299 1 59 ASP H 1 63 LEU H 2.950 . 4.100 3.744 3.422 4.058 . 0 0 "[ . 1 . 2]" 1
300 1 59 ASP H 1 62 ASP H 3.140 . 4.480 3.896 3.590 4.306 . 0 0 "[ . 1 . 2]" 1
301 1 9 ILE MD 1 59 ASP H 3.150 . 4.500 3.218 2.615 3.903 . 0 0 "[ . 1 . 2]" 1
302 1 58 PHE HA 1 59 ASP H 2.520 . 3.240 2.389 2.291 2.422 . 0 0 "[ . 1 . 2]" 1
303 1 59 ASP H 1 59 ASP HB2 2.625 . 3.450 2.961 2.566 3.104 . 0 0 "[ . 1 . 2]" 1
304 1 59 ASP H 1 59 ASP HB3 2.945 . 4.090 2.898 2.611 3.458 . 0 0 "[ . 1 . 2]" 1
305 1 23 TYR H 1 24 PRO HD3 3.350 . 4.900 4.382 4.052 4.836 . 0 0 "[ . 1 . 2]" 1
306 1 9 ILE MG 1 59 ASP H 2.950 . 4.100 2.822 2.314 3.717 . 0 0 "[ . 1 . 2]" 1
307 1 21 PHE HB2 1 33 ILE H 3.440 . 5.080 4.142 3.784 4.484 . 0 0 "[ . 1 . 2]" 1
308 1 21 PHE HB3 1 33 ILE H 3.650 . 5.500 5.048 4.751 5.373 . 0 0 "[ . 1 . 2]" 1
309 1 22 THR HB 1 30 ARG H 3.615 . 5.430 5.393 5.058 5.519 0.089 6 0 "[ . 1 . 2]" 1
310 1 59 ASP H 1 63 LEU HB2 3.650 . 5.500 5.379 5.025 5.534 0.034 12 0 "[ . 1 . 2]" 1
311 1 23 TYR H 1 24 PRO HD2 3.350 . 4.900 4.888 4.667 5.011 0.111 17 0 "[ . 1 . 2]" 1
312 1 12 MET ME 1 23 TYR H 2.980 . 4.160 3.344 2.681 3.852 . 0 0 "[ . 1 . 2]" 1
313 1 33 ILE H 1 46 VAL H 3.450 . 5.100 4.999 4.841 5.141 0.041 3 0 "[ . 1 . 2]" 1
314 1 22 THR HA 1 33 ILE H 3.070 . 4.340 3.707 3.328 3.973 . 0 0 "[ . 1 . 2]" 1
315 1 33 ILE H 1 45 ALA MB 2.935 . 4.070 3.813 3.294 4.066 . 0 0 "[ . 1 . 2]" 1
316 1 22 THR HA 1 23 TYR H 2.430 . 3.060 2.339 2.175 2.486 . 0 0 "[ . 1 . 2]" 1
317 1 22 THR HB 1 23 TYR H 2.550 . 3.300 2.613 2.281 3.116 . 0 0 "[ . 1 . 2]" 1
318 1 23 TYR H 1 31 PHE HB3 3.155 . 4.510 3.696 3.343 4.000 . 0 0 "[ . 1 . 2]" 1
319 1 23 TYR H 1 45 ALA MB 3.415 . 5.030 4.583 4.014 4.941 . 0 0 "[ . 1 . 2]" 1
320 1 33 ILE H 1 33 ILE MG 2.575 . 3.350 2.315 2.170 2.399 . 0 0 "[ . 1 . 2]" 1
321 1 33 ILE H 1 33 ILE HB 2.895 . 3.990 3.334 3.220 3.426 . 0 0 "[ . 1 . 2]" 1
322 1 33 ILE H 1 34 TYR HA 3.420 . 5.040 4.587 4.470 4.663 . 0 0 "[ . 1 . 2]" 1
323 1 32 GLN HA 1 33 ILE H 2.395 . 2.990 2.160 2.111 2.206 . 0 0 "[ . 1 . 2]" 1
324 1 12 MET ME 1 33 ILE H 3.085 . 4.370 4.048 3.453 4.415 0.045 15 0 "[ . 1 . 2]" 1
325 1 20 MET HB2 1 33 ILE H 3.245 . 4.690 3.334 2.892 3.729 . 0 0 "[ . 1 . 2]" 1
326 1 22 THR MG 1 33 ILE H 2.835 . 3.870 3.498 3.322 3.768 . 0 0 "[ . 1 . 2]" 1
327 1 23 TYR H 1 32 GLN HA 3.175 . 4.550 4.189 3.810 4.572 0.022 3 0 "[ . 1 . 2]" 1
328 1 29 ASP H 1 30 ARG H 3.160 . 4.520 4.380 4.366 4.411 . 0 0 "[ . 1 . 2]" 1
329 1 29 ASP HA 1 30 ARG H 2.445 . 3.090 2.582 2.543 2.609 . 0 0 "[ . 1 . 2]" 1
330 1 29 ASP HB2 1 30 ARG H 2.905 . 4.010 3.828 3.768 3.877 . 0 0 "[ . 1 . 2]" 1
331 1 29 ASP HB3 1 30 ARG H 2.560 . 3.320 2.859 2.681 3.091 . 0 0 "[ . 1 . 2]" 1
332 1 30 ARG H 1 30 ARG HB2 2.780 . 3.760 3.664 2.858 3.782 0.022 2 0 "[ . 1 . 2]" 1
333 1 3 THR MG 1 55 ASP H 2.730 . 3.660 3.010 2.716 3.244 . 0 0 "[ . 1 . 2]" 1
334 1 30 ARG H 1 30 ARG HB3 2.780 . 3.760 3.234 3.003 3.795 0.035 9 0 "[ . 1 . 2]" 1
335 1 23 TYR H 1 31 PHE H 2.925 . 4.050 3.174 2.958 3.568 . 0 0 "[ . 1 . 2]" 1
336 1 7 ILE MD 1 55 ASP H 3.230 . 4.660 4.223 3.352 4.583 . 0 0 "[ . 1 . 2]" 1
337 1 54 ILE MD 1 55 ASP H 3.425 . 5.050 4.203 3.591 4.396 . 0 0 "[ . 1 . 2]" 1
338 1 3 THR HA 1 55 ASP H 3.175 . 4.550 4.374 4.009 4.592 0.042 13 0 "[ . 1 . 2]" 1
339 1 67 TYR H 1 69 GLU H 3.120 . 4.440 4.138 3.891 4.363 . 0 0 "[ . 1 . 2]" 1
340 1 20 MET H 1 21 PHE H 3.090 . 4.380 4.393 4.378 4.410 0.030 20 0 "[ . 1 . 2]" 1
341 1 69 GLU H 1 70 ALA MB 3.260 . 4.720 4.393 4.226 4.545 . 0 0 "[ . 1 . 2]" 1
342 1 60 LYS HA 1 64 ALA H 3.075 . 4.350 4.201 3.802 4.458 0.108 3 0 "[ . 1 . 2]" 1
343 1 63 LEU MD2 1 64 ALA H 3.275 . 4.750 4.554 4.502 4.583 . 0 0 "[ . 1 . 2]" 1
344 1 66 TYR HA 1 69 GLU H 2.795 . 3.790 3.098 2.794 3.237 . 0 0 "[ . 1 . 2]" 1
345 1 54 ILE MG 1 55 ASP H 3.060 . 4.320 3.888 3.512 4.017 . 0 0 "[ . 1 . 2]" 1
346 1 68 GLU H 1 69 GLU H 2.590 . 3.380 2.566 2.469 2.709 . 0 0 "[ . 1 . 2]" 1
347 1 69 GLU H 1 69 GLU HB2 2.345 . 2.890 2.366 2.179 2.527 . 0 0 "[ . 1 . 2]" 1
348 1 63 LEU MD1 1 64 ALA H 3.315 . 4.830 4.444 4.323 4.554 . 0 0 "[ . 1 . 2]" 1
349 1 55 ASP H 1 55 ASP HB2 2.855 . 3.910 2.336 2.112 2.483 . 0 0 "[ . 1 . 2]" 1
350 1 44 VAL HB 1 55 ASP H 3.390 . 4.980 4.949 4.740 5.023 0.043 7 0 "[ . 1 . 2]" 1
351 1 54 ILE HB 1 55 ASP H 2.740 . 3.680 2.683 2.485 2.896 . 0 0 "[ . 1 . 2]" 1
352 1 6 GLU HA 1 55 ASP H 2.920 . 4.040 2.934 2.695 3.209 . 0 0 "[ . 1 . 2]" 1
353 1 21 PHE H 1 32 GLN HA 3.565 . 5.330 5.018 4.690 5.377 0.047 17 0 "[ . 1 . 2]" 1
354 1 55 ASP H 1 55 ASP HB3 2.855 . 3.910 3.217 2.527 3.625 . 0 0 "[ . 1 . 2]" 1
355 1 63 LEU HB2 1 64 ALA H 2.865 . 3.930 2.438 2.297 2.569 . 0 0 "[ . 1 . 2]" 1
356 1 21 PHE H 1 21 PHE HB2 2.960 . 4.120 2.456 2.353 2.597 . 0 0 "[ . 1 . 2]" 1
357 1 64 ALA H 1 65 GLU H 2.545 . 3.290 2.755 2.642 2.832 . 0 0 "[ . 1 . 2]" 1
358 1 20 MET HA 1 21 PHE H 2.480 . 3.160 2.451 2.332 2.537 . 0 0 "[ . 1 . 2]" 1
359 1 20 MET HB2 1 21 PHE H 2.660 . 3.520 2.304 2.096 2.574 . 0 0 "[ . 1 . 2]" 1
360 1 64 ALA H 1 64 ALA MB 2.205 . 2.610 2.229 2.217 2.240 . 0 0 "[ . 1 . 2]" 1
361 1 21 PHE H 1 33 ILE H 2.795 . 3.790 3.387 2.993 3.837 0.047 17 0 "[ . 1 . 2]" 1
362 1 64 ALA H 1 66 TYR H 3.240 . 4.680 4.285 4.066 4.519 . 0 0 "[ . 1 . 2]" 1
363 1 62 ASP HA 1 64 ALA H 3.245 . 4.690 4.613 4.391 4.706 0.016 11 0 "[ . 1 . 2]" 1
364 1 63 LEU HB3 1 64 ALA H 2.850 . 3.900 3.452 3.273 3.646 . 0 0 "[ . 1 . 2]" 1
365 1 54 ILE HA 1 55 ASP H 2.520 . 3.240 2.316 2.238 2.401 . 0 0 "[ . 1 . 2]" 1
366 1 21 PHE H 1 22 THR MG 3.130 . 4.460 4.175 3.992 4.396 . 0 0 "[ . 1 . 2]" 1
367 1 63 LEU HG 1 64 ALA H 3.250 . 4.700 4.300 4.225 4.392 . 0 0 "[ . 1 . 2]" 1
368 1 21 PHE H 1 33 ILE MG 2.860 . 3.920 2.643 2.490 2.933 . 0 0 "[ . 1 . 2]" 1
369 1 78 ILE H 1 78 ILE HG12 2.645 . 3.490 2.103 1.928 2.804 . 0 0 "[ . 1 . 2]" 1
370 1 77 PRO HB2 1 78 ILE H 2.755 . 3.710 3.525 3.127 3.758 0.048 19 0 "[ . 1 . 2]" 1
371 1 77 PRO HB3 1 78 ILE H 2.755 . 3.710 3.440 3.181 3.729 0.019 17 0 "[ . 1 . 2]" 1
372 1 78 ILE H 1 78 ILE HG13 2.645 . 3.490 2.832 1.793 2.998 0.007 19 0 "[ . 1 . 2]" 1
373 1 78 ILE H 1 78 ILE MG 2.655 . 3.510 2.737 2.453 3.265 . 0 0 "[ . 1 . 2]" 1
374 1 77 PRO HA 1 78 ILE H 2.130 . 2.460 2.148 2.072 2.182 . 0 0 "[ . 1 . 2]" 1
375 1 9 ILE H 1 9 ILE MD 3.165 . 4.530 4.365 4.320 4.393 . 0 0 "[ . 1 . 2]" 1
376 1 8 GLU H 1 9 ILE H 3.255 . 4.710 4.595 4.563 4.624 . 0 0 "[ . 1 . 2]" 1
377 1 8 GLU HA 1 9 ILE H 2.530 . 3.260 2.230 2.137 2.294 . 0 0 "[ . 1 . 2]" 1
378 1 9 ILE H 1 9 ILE HB 2.610 . 3.420 2.500 2.452 2.576 . 0 0 "[ . 1 . 2]" 1
379 1 9 ILE H 1 9 ILE MG 2.505 . 3.210 2.052 1.943 2.220 . 0 0 "[ . 1 . 2]" 1
380 1 9 ILE H 1 58 PHE HA 3.145 . 4.490 3.506 3.039 4.413 . 0 0 "[ . 1 . 2]" 1
381 1 9 ILE H 1 9 ILE HG13 3.380 . 4.960 4.410 4.363 4.464 . 0 0 "[ . 1 . 2]" 1
382 1 9 ILE H 1 57 VAL HB 2.765 . 3.730 3.181 2.442 3.482 . 0 0 "[ . 1 . 2]" 1
383 1 9 ILE H 1 57 VAL H 2.945 . 4.090 3.712 3.283 3.994 . 0 0 "[ . 1 . 2]" 1
384 1 9 ILE H 1 9 ILE HG12 3.380 . 4.960 4.494 4.443 4.558 . 0 0 "[ . 1 . 2]" 1
385 1 9 ILE H 1 57 VAL MG1 3.500 . 5.200 3.940 3.436 4.237 . 0 0 "[ . 1 . 2]" 1
386 1 9 ILE H 1 57 VAL MG2 3.500 . 5.200 4.533 3.973 4.748 . 0 0 "[ . 1 . 2]" 1
387 1 9 ILE H 1 57 VAL HA 3.395 . 4.990 4.825 4.665 5.010 0.020 12 0 "[ . 1 . 2]" 1
388 1 44 VAL MG2 1 56 VAL H 3.405 . 5.010 4.903 4.592 5.036 0.026 7 0 "[ . 1 . 2]" 1
389 1 7 ILE MD 1 56 VAL H 3.650 . 5.500 5.419 5.027 5.546 0.046 13 0 "[ . 1 . 2]" 1
390 1 54 ILE MD 1 56 VAL H 3.650 . 5.500 5.323 4.198 5.570 0.070 2 0 "[ . 1 . 2]" 1
391 1 55 ASP HB3 1 56 VAL H 3.105 . 4.410 3.033 2.486 3.847 . 0 0 "[ . 1 . 2]" 1
392 1 44 VAL MG1 1 56 VAL H 3.405 . 5.010 5.020 4.867 5.080 0.070 6 0 "[ . 1 . 2]" 1
393 1 55 ASP HB2 1 56 VAL H 3.105 . 4.410 4.013 3.666 4.226 . 0 0 "[ . 1 . 2]" 1
394 1 43 LYS HB2 1 56 VAL H 2.890 . 3.980 2.777 2.128 3.182 . 0 0 "[ . 1 . 2]" 1
395 1 56 VAL H 1 56 VAL HB 2.720 . 3.640 2.970 2.686 3.336 . 0 0 "[ . 1 . 2]" 1
396 1 56 VAL H 1 56 VAL MG1 3.020 . 4.240 3.230 2.162 3.934 . 0 0 "[ . 1 . 2]" 1
397 1 38 MET HG3 1 39 PHE H 3.165 . 4.530 4.091 3.832 4.212 . 0 0 "[ . 1 . 2]" 1
398 1 39 PHE H 1 41 GLY H 3.095 . 4.390 4.018 3.925 4.183 . 0 0 "[ . 1 . 2]" 1
399 1 38 MET HB3 1 39 PHE H 2.950 . 4.100 3.759 3.633 3.928 . 0 0 "[ . 1 . 2]" 1
400 1 39 PHE H 1 63 LEU MD1 3.020 . 4.240 3.838 3.211 4.274 0.034 20 0 "[ . 1 . 2]" 1
401 1 36 ASP HA 1 39 PHE H 3.120 . 4.440 3.644 3.259 4.034 . 0 0 "[ . 1 . 2]" 1
402 1 37 ASP HA 1 39 PHE H 3.370 . 4.940 4.327 4.118 4.632 . 0 0 "[ . 1 . 2]" 1
403 1 38 MET HG2 1 39 PHE H 3.365 . 4.930 4.860 4.545 4.946 0.016 1 0 "[ . 1 . 2]" 1
404 1 39 PHE H 1 40 GLU H 2.595 . 3.390 2.562 2.482 2.663 . 0 0 "[ . 1 . 2]" 1
405 1 38 MET HB2 1 39 PHE H 2.785 . 3.770 2.617 2.458 2.814 . 0 0 "[ . 1 . 2]" 1
406 1 39 PHE H 1 39 PHE HB3 2.625 . 3.450 2.523 2.358 2.657 . 0 0 "[ . 1 . 2]" 1
407 1 38 MET H 1 39 PHE H 2.860 . 3.920 2.610 2.454 2.736 . 0 0 "[ . 1 . 2]" 1
408 1 38 MET ME 1 39 PHE H 3.650 . 5.500 5.279 5.099 5.493 . 0 0 "[ . 1 . 2]" 1
409 1 39 PHE H 1 63 LEU MD2 3.650 . 5.500 4.539 4.168 4.919 . 0 0 "[ . 1 . 2]" 1
410 1 39 PHE H 1 39 PHE HB2 2.625 . 3.450 2.521 2.399 2.659 . 0 0 "[ . 1 . 2]" 1
411 1 35 LEU HA 1 39 PHE H 3.105 . 4.410 4.013 3.553 4.260 . 0 0 "[ . 1 . 2]" 1
412 1 39 PHE H 1 42 GLU H 3.650 . 5.500 5.346 5.084 5.551 0.051 11 0 "[ . 1 . 2]" 1
413 1 29 ASP HB3 1 50 CYS H 3.340 . 4.880 4.900 4.741 5.011 0.131 13 0 "[ . 1 . 2]" 1
414 1 47 CYS HB3 1 50 CYS H 3.045 . 4.290 4.201 4.043 4.340 0.050 5 0 "[ . 1 . 2]" 1
415 1 49 SER H 1 50 CYS H 2.650 . 3.500 3.544 3.508 3.575 0.075 18 0 "[ . 1 . 2]" 1
416 1 38 MET H 1 38 MET HG2 2.785 . 3.770 3.160 2.608 3.391 . 0 0 "[ . 1 . 2]" 1
417 1 50 CYS H 1 51 SER HA 3.140 . 4.480 4.389 4.353 4.432 . 0 0 "[ . 1 . 2]" 1
418 1 37 ASP HB3 1 38 MET H 3.050 . 4.300 3.453 2.520 3.826 . 0 0 "[ . 1 . 2]" 1
419 1 48 PRO HB2 1 50 CYS H 3.475 . 5.150 5.109 4.945 5.175 0.025 9 0 "[ . 1 . 2]" 1
420 1 38 MET H 1 38 MET HB3 2.715 . 3.630 3.605 3.591 3.617 . 0 0 "[ . 1 . 2]" 1
421 1 37 ASP H 1 38 MET H 2.705 . 3.610 2.496 2.302 2.657 . 0 0 "[ . 1 . 2]" 1
422 1 37 ASP HB2 1 38 MET H 3.050 . 4.300 2.933 2.517 3.911 . 0 0 "[ . 1 . 2]" 1
423 1 38 MET H 1 38 MET HB2 2.845 . 3.890 2.601 2.527 2.761 . 0 0 "[ . 1 . 2]" 1
424 1 38 MET H 1 38 MET ME 3.375 . 4.950 4.687 4.478 4.774 . 0 0 "[ . 1 . 2]" 1
425 1 35 LEU HA 1 38 MET H 2.985 . 4.170 3.198 2.757 3.435 . 0 0 "[ . 1 . 2]" 1
426 1 38 MET H 1 38 MET HG3 2.845 . 3.890 2.106 1.989 2.214 . 0 0 "[ . 1 . 2]" 1
427 1 33 ILE MD 1 38 MET H 3.360 . 4.920 4.234 3.863 4.787 . 0 0 "[ . 1 . 2]" 1
428 1 9 ILE HB 1 58 PHE H 3.650 . 5.500 4.492 4.174 4.827 . 0 0 "[ . 1 . 2]" 1
429 1 58 PHE H 1 59 ASP H 3.210 . 4.620 4.495 4.356 4.577 . 0 0 "[ . 1 . 2]" 1
430 1 57 VAL MG1 1 58 PHE H 3.040 . 4.280 2.929 2.154 3.289 . 0 0 "[ . 1 . 2]" 1
431 1 57 VAL MG2 1 58 PHE H 3.040 . 4.280 4.167 3.989 4.304 0.024 3 0 "[ . 1 . 2]" 1
432 1 57 VAL HA 1 58 PHE H 2.245 . 2.690 2.173 2.140 2.326 . 0 0 "[ . 1 . 2]" 1
433 1 57 VAL HB 1 58 PHE H 3.075 . 4.350 4.253 3.750 4.366 0.016 20 0 "[ . 1 . 2]" 1
434 1 81 ALA H 1 81 ALA MB 2.920 . 4.040 2.447 2.235 2.913 . 0 0 "[ . 1 . 2]" 1
435 1 57 VAL H 1 58 PHE H 3.290 . 4.780 4.410 4.204 4.636 . 0 0 "[ . 1 . 2]" 1
436 1 80 ALA HA 1 81 ALA H 2.590 . 3.380 2.520 2.127 3.379 . 0 0 "[ . 1 . 2]" 1
437 1 79 ALA HA 1 80 ALA H 2.455 . 3.110 2.466 2.157 3.283 0.173 13 0 "[ . 1 . 2]" 1
438 1 80 ALA H 1 80 ALA MB 2.275 . 2.750 2.509 2.236 2.819 0.069 13 0 "[ . 1 . 2]" 1
439 1 78 ILE MD 1 80 ALA H 3.110 . 4.420 4.092 2.809 4.490 0.070 19 0 "[ . 1 . 2]" 1
440 1 3 THR H 1 4 TYR H 3.170 . 4.540 4.364 4.134 4.516 . 0 0 "[ . 1 . 2]" 1
441 1 4 TYR H 1 54 ILE MG 3.075 . 4.350 3.399 2.713 4.187 . 0 0 "[ . 1 . 2]" 1
442 1 3 THR MG 1 4 TYR H 2.835 . 3.870 3.880 3.755 3.980 0.110 7 0 "[ . 1 . 2]" 1
443 1 3 THR HA 1 4 TYR H 2.575 . 3.350 2.153 2.123 2.182 . 0 0 "[ . 1 . 2]" 1
444 1 3 THR HB 1 4 TYR H 2.815 . 3.830 3.596 3.190 3.896 0.066 13 0 "[ . 1 . 2]" 1
445 1 4 TYR H 1 54 ILE HA 3.105 . 4.410 3.480 2.889 4.088 . 0 0 "[ . 1 . 2]" 1
446 1 4 TYR H 1 4 TYR HB3 2.850 . 3.900 3.175 2.501 3.755 . 0 0 "[ . 1 . 2]" 1
447 1 4 TYR H 1 4 TYR HB2 2.850 . 3.900 2.465 2.159 2.886 . 0 0 "[ . 1 . 2]" 1
448 1 27 CYS H 1 28 GLY HA3 3.260 . 4.720 4.425 4.333 4.548 . 0 0 "[ . 1 . 2]" 1
449 1 26 PRO HB2 1 27 CYS H 3.090 . 4.380 3.799 3.719 3.872 . 0 0 "[ . 1 . 2]" 1
450 1 37 ASP HA 1 42 GLU H 3.410 . 5.020 4.584 3.971 5.053 0.033 6 0 "[ . 1 . 2]" 1
451 1 27 CYS H 1 28 GLY HA2 2.845 . 3.890 3.742 3.683 3.869 . 0 0 "[ . 1 . 2]" 1
452 1 26 PRO HB3 1 27 CYS H 3.090 . 4.380 4.030 3.891 4.141 . 0 0 "[ . 1 . 2]" 1
453 1 27 CYS H 1 29 ASP H 2.985 . 4.170 3.831 3.677 4.035 . 0 0 "[ . 1 . 2]" 1
454 1 41 GLY H 1 42 GLU H 2.505 . 3.210 2.326 2.105 2.542 . 0 0 "[ . 1 . 2]" 1
455 1 40 GLU HB2 1 42 GLU H 3.035 . 4.270 3.269 2.566 4.336 0.066 13 0 "[ . 1 . 2]" 1
456 1 38 MET HA 1 42 GLU H 3.050 . 4.300 3.644 3.365 3.993 . 0 0 "[ . 1 . 2]" 1
457 1 40 GLU HB3 1 42 GLU H 2.775 . 3.750 3.456 2.614 3.808 0.058 10 0 "[ . 1 . 2]" 1
458 1 40 GLU H 1 42 GLU H 2.870 . 3.940 3.713 3.518 3.872 . 0 0 "[ . 1 . 2]" 1
459 1 42 GLU H 1 43 LYS H 3.205 . 4.610 4.343 3.913 4.576 . 0 0 "[ . 1 . 2]" 1
460 1 40 GLU HA 1 42 GLU H 3.215 . 4.630 4.552 4.333 4.662 0.032 15 0 "[ . 1 . 2]" 1
461 1 52 LEU H 1 53 MET HG3 3.180 . 4.560 4.324 4.075 4.599 0.039 3 0 "[ . 1 . 2]" 1
462 1 47 CYS H 1 52 LEU H 2.965 . 4.130 2.829 2.520 3.206 . 0 0 "[ . 1 . 2]" 1
463 1 52 LEU H 1 52 LEU HB2 2.745 . 3.690 2.778 2.286 3.211 . 0 0 "[ . 1 . 2]" 1
464 1 46 VAL HA 1 52 LEU H 3.250 . 4.700 4.575 4.099 4.799 0.099 16 0 "[ . 1 . 2]" 1
465 1 47 CYS HA 1 52 LEU H 3.425 . 5.050 4.673 4.389 4.857 . 0 0 "[ . 1 . 2]" 1
466 1 52 LEU H 1 52 LEU HB3 2.745 . 3.690 2.821 2.489 3.586 . 0 0 "[ . 1 . 2]" 1
467 1 51 SER HA 1 52 LEU H 2.675 . 3.550 2.581 2.310 2.901 . 0 0 "[ . 1 . 2]" 1
468 1 51 SER H 1 52 LEU H 2.690 . 3.580 2.795 2.597 3.088 . 0 0 "[ . 1 . 2]" 1
469 1 47 CYS HB3 1 52 LEU H 2.680 . 3.560 2.447 2.296 2.667 . 0 0 "[ . 1 . 2]" 1
470 1 47 CYS HB2 1 52 LEU H 2.800 . 3.800 3.855 3.673 3.928 0.128 7 0 "[ . 1 . 2]" 1
471 1 34 TYR HB2 1 35 LEU H 3.020 . 4.240 3.968 3.722 4.138 . 0 0 "[ . 1 . 2]" 1
472 1 35 LEU H 1 35 LEU HG 3.130 . 4.460 4.333 3.000 4.500 0.040 19 0 "[ . 1 . 2]" 1
473 1 34 TYR HB3 1 35 LEU H 3.020 . 4.240 2.974 2.606 3.346 . 0 0 "[ . 1 . 2]" 1
474 1 35 LEU H 1 35 LEU MD2 3.115 . 4.430 3.421 2.068 4.288 . 0 0 "[ . 1 . 2]" 1
475 1 34 TYR HA 1 35 LEU H 2.500 . 3.200 2.214 2.140 2.296 . 0 0 "[ . 1 . 2]" 1
476 1 35 LEU H 1 35 LEU MD1 3.115 . 4.430 4.106 2.992 4.328 . 0 0 "[ . 1 . 2]" 1
477 1 34 TYR H 1 35 LEU H 3.185 . 4.570 4.538 4.457 4.583 0.013 19 0 "[ . 1 . 2]" 1
478 1 20 MET HB2 1 35 LEU H 3.395 . 4.990 4.090 3.272 4.491 . 0 0 "[ . 1 . 2]" 1
479 1 7 ILE HB 1 8 GLU H 2.875 . 3.950 3.555 3.203 3.952 0.002 12 0 "[ . 1 . 2]" 1
480 1 7 ILE HA 1 8 GLU H 2.355 . 2.910 2.301 2.167 2.437 . 0 0 "[ . 1 . 2]" 1
481 1 8 GLU H 1 8 GLU HB3 2.730 . 3.660 3.594 3.549 3.624 . 0 0 "[ . 1 . 2]" 1
482 1 8 GLU H 1 11 ASP H 3.530 . 5.260 4.327 4.106 4.815 . 0 0 "[ . 1 . 2]" 1
483 1 8 GLU H 1 8 GLU HB2 2.730 . 3.660 2.469 2.289 2.670 . 0 0 "[ . 1 . 2]" 1
484 1 7 ILE MG 1 8 GLU H 2.590 . 3.380 2.049 1.779 2.423 0.021 11 0 "[ . 1 . 2]" 1
485 1 59 ASP HB3 1 60 LYS H 2.860 . 3.920 3.446 2.872 3.817 . 0 0 "[ . 1 . 2]" 1
486 1 7 ILE H 1 54 ILE HB 3.290 . 4.780 4.498 3.981 4.784 0.004 12 0 "[ . 1 . 2]" 1
487 1 60 LYS H 1 60 LYS HB3 2.735 . 3.670 3.561 3.524 3.608 . 0 0 "[ . 1 . 2]" 1
488 1 59 ASP HA 1 60 LYS H 2.420 . 3.040 2.307 2.222 2.426 . 0 0 "[ . 1 . 2]" 1
489 1 60 LYS H 1 60 LYS HB2 2.650 . 3.500 2.500 2.282 2.798 . 0 0 "[ . 1 . 2]" 1
490 1 59 ASP HB2 1 60 LYS H 2.910 . 4.020 3.968 3.784 4.091 0.071 12 0 "[ . 1 . 2]" 1
491 1 60 LYS H 1 63 LEU MD1 3.650 . 5.500 4.762 4.335 5.089 . 0 0 "[ . 1 . 2]" 1
492 1 7 ILE H 1 55 ASP HB2 3.565 . 5.330 4.865 4.084 5.426 0.096 2 0 "[ . 1 . 2]" 1
493 1 7 ILE H 1 7 ILE MD 2.895 . 3.990 2.110 1.880 3.123 . 0 0 "[ . 1 . 2]" 1
494 1 7 ILE H 1 56 VAL HB 3.505 . 5.210 4.966 4.211 5.387 0.177 4 0 "[ . 1 . 2]" 1
495 1 6 GLU HA 1 7 ILE H 2.435 . 3.070 2.174 2.129 2.211 . 0 0 "[ . 1 . 2]" 1
496 1 7 ILE H 1 7 ILE MG 2.945 . 4.090 3.933 3.887 4.009 . 0 0 "[ . 1 . 2]" 1
497 1 7 ILE H 1 7 ILE HB 2.720 . 3.640 2.875 2.692 3.147 . 0 0 "[ . 1 . 2]" 1
498 1 7 ILE H 1 55 ASP HB3 3.565 . 5.330 4.481 3.788 5.361 0.031 17 0 "[ . 1 . 2]" 1
499 1 7 ILE H 1 55 ASP H 3.410 . 5.020 4.549 4.198 4.881 . 0 0 "[ . 1 . 2]" 1
500 1 7 ILE H 1 56 VAL HA 3.025 . 4.250 2.590 2.418 2.914 . 0 0 "[ . 1 . 2]" 1
501 1 24 PRO HA 1 25 CYS H 2.475 . 3.150 2.119 2.094 2.151 . 0 0 "[ . 1 . 2]" 1
502 1 24 PRO HB3 1 25 CYS H 3.105 . 4.410 3.851 3.556 4.177 . 0 0 "[ . 1 . 2]" 1
503 1 25 CYS H 1 31 PHE H 3.000 . 4.200 3.833 3.404 4.082 . 0 0 "[ . 1 . 2]" 1
504 1 25 CYS H 1 30 ARG HA 2.585 . 3.370 2.726 2.354 3.025 . 0 0 "[ . 1 . 2]" 1
505 1 33 ILE HB 1 34 TYR H 3.025 . 4.250 4.131 4.046 4.211 . 0 0 "[ . 1 . 2]" 1
506 1 33 ILE HG13 1 34 TYR H 2.960 . 4.120 2.797 2.591 3.006 . 0 0 "[ . 1 . 2]" 1
507 1 34 TYR H 1 34 TYR HB3 2.910 . 4.020 3.640 3.585 3.706 . 0 0 "[ . 1 . 2]" 1
508 1 33 ILE MD 1 34 TYR H 3.075 . 4.350 4.199 3.976 4.380 0.030 19 0 "[ . 1 . 2]" 1
509 1 33 ILE HA 1 34 TYR H 2.540 . 3.280 2.187 2.133 2.249 . 0 0 "[ . 1 . 2]" 1
510 1 33 ILE HG12 1 34 TYR H 2.960 . 4.120 2.880 2.580 3.174 . 0 0 "[ . 1 . 2]" 1
511 1 34 TYR H 1 34 TYR HB2 2.910 . 4.020 2.516 2.327 2.693 . 0 0 "[ . 1 . 2]" 1
512 1 34 TYR H 1 35 LEU HA 3.585 . 5.370 5.362 5.288 5.443 0.073 7 0 "[ . 1 . 2]" 1
513 1 33 ILE MG 1 34 TYR H 3.070 . 4.340 3.941 3.732 4.094 . 0 0 "[ . 1 . 2]" 1
514 1 57 VAL H 1 57 VAL MG2 2.855 . 3.910 2.148 1.984 2.471 . 0 0 "[ . 1 . 2]" 1
515 1 57 VAL H 1 57 VAL MG1 2.855 . 3.910 3.794 3.765 3.843 . 0 0 "[ . 1 . 2]" 1
516 1 57 VAL H 1 57 VAL HB 2.550 . 3.300 2.578 2.506 2.633 . 0 0 "[ . 1 . 2]" 1
517 1 7 ILE H 1 57 VAL H 2.935 . 4.070 3.601 3.216 3.865 . 0 0 "[ . 1 . 2]" 1
518 1 8 GLU HA 1 57 VAL H 2.715 . 3.630 2.777 2.221 3.323 . 0 0 "[ . 1 . 2]" 1
519 1 26 PRO HA 1 29 ASP H 3.650 . 5.500 5.310 5.137 5.519 0.019 8 0 "[ . 1 . 2]" 1
520 1 56 VAL HA 1 57 VAL H 2.420 . 3.040 2.150 2.087 2.250 . 0 0 "[ . 1 . 2]" 1
521 1 7 ILE MD 1 57 VAL H 3.410 . 5.020 5.048 4.919 5.248 0.228 12 0 "[ . 1 . 2]" 1
522 1 29 ASP H 1 29 ASP HB3 2.670 . 3.540 3.114 2.961 3.246 . 0 0 "[ . 1 . 2]" 1
523 1 29 ASP H 1 29 ASP HB2 2.535 . 3.270 2.969 2.866 3.054 . 0 0 "[ . 1 . 2]" 1
524 1 9 ILE MG 1 57 VAL H 3.530 . 5.260 5.112 4.807 5.303 0.043 15 0 "[ . 1 . 2]" 1
525 1 43 LYS HB2 1 57 VAL H 3.650 . 5.500 5.159 4.742 5.512 0.012 6 0 "[ . 1 . 2]" 1
526 1 29 ASP H 1 48 PRO HG2 3.650 . 5.500 4.904 4.698 5.237 . 0 0 "[ . 1 . 2]" 1
527 1 78 ILE HB 1 79 ALA H 2.730 . 3.660 2.422 2.015 3.659 . 0 0 "[ . 1 . 2]" 1
528 1 79 ALA H 1 79 ALA MB 2.280 . 2.760 2.360 2.257 2.818 0.058 19 0 "[ . 1 . 2]" 1
529 1 78 ILE HA 1 79 ALA H 2.235 . 2.670 2.409 2.129 2.619 . 0 0 "[ . 1 . 2]" 1
530 1 78 ILE MG 1 79 ALA H 2.905 . 4.010 3.612 3.436 3.944 . 0 0 "[ . 1 . 2]" 1
531 1 78 ILE MD 1 79 ALA H 3.130 . 4.460 4.216 3.655 4.521 0.061 19 0 "[ . 1 . 2]" 1
532 1 14 PHE H 1 14 PHE HB2 2.755 . 3.710 3.564 2.521 3.687 . 0 0 "[ . 1 . 2]" 1
533 1 14 PHE H 1 14 PHE HB3 2.755 . 3.710 2.778 2.603 3.595 . 0 0 "[ . 1 . 2]" 1
534 1 13 THR HA 1 14 PHE H 2.245 . 2.690 2.147 2.115 2.190 . 0 0 "[ . 1 . 2]" 1
535 1 13 THR MG 1 14 PHE H 2.505 . 3.210 2.941 2.586 3.167 . 0 0 "[ . 1 . 2]" 1
536 1 14 PHE H 1 21 PHE HA 3.565 . 5.330 4.786 4.265 5.270 . 0 0 "[ . 1 . 2]" 1
537 1 13 THR H 1 14 PHE H 3.305 . 4.810 4.389 4.253 4.518 . 0 0 "[ . 1 . 2]" 1
538 1 13 THR HB 1 14 PHE H 3.030 . 4.260 4.230 4.020 4.312 0.052 17 0 "[ . 1 . 2]" 1
539 1 45 ALA H 1 54 ILE MG 3.415 . 5.030 4.928 4.779 5.111 0.081 7 0 "[ . 1 . 2]" 1
540 1 44 VAL MG1 1 45 ALA H 3.040 . 4.280 4.145 4.061 4.190 . 0 0 "[ . 1 . 2]" 1
541 1 45 ALA H 1 45 ALA MB 2.565 . 3.330 2.356 2.339 2.377 . 0 0 "[ . 1 . 2]" 1
542 1 3 THR MG 1 45 ALA H 3.195 . 4.590 4.425 4.194 4.617 0.027 13 0 "[ . 1 . 2]" 1
543 1 45 ALA H 1 54 ILE H 2.865 . 3.930 2.951 2.792 3.100 . 0 0 "[ . 1 . 2]" 1
544 1 45 ALA H 1 54 ILE MD 2.995 . 4.190 2.430 2.117 2.690 . 0 0 "[ . 1 . 2]" 1
545 1 44 VAL HA 1 45 ALA H 2.415 . 3.030 2.150 2.123 2.179 . 0 0 "[ . 1 . 2]" 1
546 1 33 ILE MD 1 45 ALA H 3.000 . 4.200 3.384 3.195 3.649 . 0 0 "[ . 1 . 2]" 1
547 1 44 VAL HB 1 45 ALA H 2.950 . 4.100 4.054 3.985 4.119 0.019 9 0 "[ . 1 . 2]" 1
548 1 14 PHE HB3 1 15 GLU H 3.135 . 4.470 4.042 3.372 4.184 . 0 0 "[ . 1 . 2]" 1
549 1 15 GLU H 1 15 GLU HB3 2.980 . 4.160 2.929 2.573 3.779 . 0 0 "[ . 1 . 2]" 1
550 1 14 PHE HB2 1 15 GLU H 3.135 . 4.470 3.152 2.953 4.198 . 0 0 "[ . 1 . 2]" 1
551 1 15 GLU H 1 21 PHE H 3.510 . 5.220 4.692 4.543 4.996 . 0 0 "[ . 1 . 2]" 1
552 1 15 GLU H 1 15 GLU HB2 2.980 . 4.160 2.858 2.385 3.250 . 0 0 "[ . 1 . 2]" 1
553 1 15 GLU H 1 20 MET H 2.905 . 4.010 3.561 3.248 3.886 . 0 0 "[ . 1 . 2]" 1
554 1 14 PHE HA 1 15 GLU H 2.480 . 3.160 2.168 2.127 2.226 . 0 0 "[ . 1 . 2]" 1
555 1 15 GLU H 1 21 PHE HA 2.785 . 3.770 2.686 2.409 2.960 . 0 0 "[ . 1 . 2]" 1
556 1 31 PHE HA 1 47 CYS H 3.080 . 4.360 3.744 3.581 3.963 . 0 0 "[ . 1 . 2]" 1
557 1 47 CYS H 1 53 MET HG3 3.050 . 4.300 3.981 3.482 4.311 0.011 6 0 "[ . 1 . 2]" 1
558 1 47 CYS H 1 53 MET HA 2.980 . 4.160 3.584 3.466 3.693 . 0 0 "[ . 1 . 2]" 1
559 1 46 VAL HA 1 47 CYS H 2.515 . 3.230 2.169 2.136 2.197 . 0 0 "[ . 1 . 2]" 1
560 1 47 CYS H 1 47 CYS HB2 2.735 . 3.670 2.715 2.502 2.825 . 0 0 "[ . 1 . 2]" 1
561 1 47 CYS H 1 47 CYS HB3 2.850 . 3.900 2.668 2.600 2.757 . 0 0 "[ . 1 . 2]" 1
562 1 46 VAL HB 1 47 CYS H 3.200 . 4.600 4.100 4.053 4.245 . 0 0 "[ . 1 . 2]" 1
563 1 32 GLN H 1 47 CYS H 3.400 . 5.000 4.430 4.265 4.595 . 0 0 "[ . 1 . 2]" 1
564 1 47 CYS H 1 51 SER HA 3.170 . 4.540 4.083 3.842 4.477 . 0 0 "[ . 1 . 2]" 1
565 1 6 GLU HA 1 7 ILE MD 3.205 . 4.610 3.033 2.741 4.004 . 0 0 "[ . 1 . 2]" 1
566 1 7 ILE MD 1 54 ILE MG 2.735 . 3.670 3.072 2.772 3.353 . 0 0 "[ . 1 . 2]" 1
567 1 5 ASP HB3 1 7 ILE MD 3.065 . 4.330 2.862 2.621 3.537 . 0 0 "[ . 1 . 2]" 1
568 1 7 ILE MD 1 7 ILE MG 2.515 . 3.230 3.058 2.444 3.139 . 0 0 "[ . 1 . 2]" 1
569 1 7 ILE HB 1 7 ILE MD 2.665 . 3.530 2.230 2.151 2.270 . 0 0 "[ . 1 . 2]" 1
570 1 5 ASP HB2 1 7 ILE MD 3.065 . 4.330 3.810 2.779 4.341 0.011 1 0 "[ . 1 . 2]" 1
571 1 45 ALA HA 1 54 ILE MD 3.235 . 4.670 4.045 3.922 4.160 . 0 0 "[ . 1 . 2]" 1
572 1 78 ILE HA 1 78 ILE MD 3.285 . 4.770 4.180 3.921 4.202 . 0 0 "[ . 1 . 2]" 1
573 1 33 ILE HB 1 54 ILE MD 3.510 . 5.220 4.868 4.328 5.138 . 0 0 "[ . 1 . 2]" 1
574 1 44 VAL HA 1 54 ILE MD 3.135 . 4.470 3.978 3.338 4.295 . 0 0 "[ . 1 . 2]" 1
575 1 60 LYS HB2 1 78 ILE MD 2.760 . 3.720 2.896 2.231 3.324 . 0 0 "[ . 1 . 2]" 1
576 1 5 ASP HB3 1 54 ILE MD 3.610 . 5.420 4.730 4.037 5.483 0.063 11 0 "[ . 1 . 2]" 1
577 1 5 ASP HB2 1 54 ILE MD 3.610 . 5.420 5.017 4.247 5.542 0.122 1 0 "[ . 1 . 2]" 1
578 1 31 PHE HB3 1 54 ILE MD 2.850 . 3.900 3.049 2.637 3.399 . 0 0 "[ . 1 . 2]" 1
579 1 3 THR MG 1 54 ILE MD 3.060 . 4.320 4.312 4.198 4.387 0.067 12 0 "[ . 1 . 2]" 1
580 1 12 MET ME 1 54 ILE MD 2.885 . 3.970 3.352 2.690 3.883 . 0 0 "[ . 1 . 2]" 1
581 1 54 ILE HB 1 54 ILE MD 2.690 . 3.580 3.058 2.280 3.249 . 0 0 "[ . 1 . 2]" 1
582 1 46 VAL HA 1 54 ILE MD 3.445 . 5.090 4.310 3.814 5.186 0.096 1 0 "[ . 1 . 2]" 1
583 1 54 ILE MD 1 55 ASP HA 3.650 . 5.500 4.520 3.749 4.790 . 0 0 "[ . 1 . 2]" 1
584 1 35 LEU HB2 1 72 ILE MD 3.340 . 4.880 3.062 2.330 4.113 . 0 0 "[ . 1 . 2]" 1
585 1 67 TYR HA 1 72 ILE MD 2.935 . 4.070 1.950 1.776 2.494 0.024 20 0 "[ . 1 . 2]" 1
586 1 72 ILE HB 1 72 ILE MD 2.515 . 3.230 2.459 2.423 2.509 . 0 0 "[ . 1 . 2]" 1
587 1 72 ILE HA 1 72 ILE MD 2.995 . 4.190 3.927 3.822 4.142 . 0 0 "[ . 1 . 2]" 1
588 1 33 ILE MD 1 38 MET HG3 2.850 . 3.900 2.996 2.801 3.316 . 0 0 "[ . 1 . 2]" 1
589 1 33 ILE MD 1 43 LYS HB2 3.100 . 4.400 3.595 2.867 4.098 . 0 0 "[ . 1 . 2]" 1
590 1 33 ILE MD 1 38 MET HG2 2.745 . 3.690 1.958 1.796 2.158 0.004 6 0 "[ . 1 . 2]" 1
591 1 33 ILE HA 1 33 ILE MD 2.775 . 3.750 3.786 3.753 3.810 0.060 3 0 "[ . 1 . 2]" 1
592 1 33 ILE MD 1 45 ALA HA 2.915 . 4.030 3.113 2.828 3.582 . 0 0 "[ . 1 . 2]" 1
593 1 33 ILE MD 1 33 ILE MG 2.600 . 3.400 1.927 1.891 1.970 . 0 0 "[ . 1 . 2]" 1
594 1 33 ILE MD 1 44 VAL HA 3.155 . 4.510 3.299 3.053 3.480 . 0 0 "[ . 1 . 2]" 1
595 1 33 ILE HB 1 33 ILE MD 2.615 . 3.430 2.415 2.389 2.446 . 0 0 "[ . 1 . 2]" 1
596 1 33 ILE H 1 33 ILE MD 3.305 . 4.810 4.804 4.705 4.850 0.040 6 0 "[ . 1 . 2]" 1
597 1 9 ILE MD 1 62 ASP HB3 3.275 . 4.750 2.599 1.960 4.277 . 0 0 "[ . 1 . 2]" 1
598 1 9 ILE HB 1 9 ILE MD 2.650 . 3.500 2.392 2.357 2.433 . 0 0 "[ . 1 . 2]" 1
599 1 9 ILE MD 1 9 ILE MG 2.580 . 3.360 1.952 1.898 1.998 . 0 0 "[ . 1 . 2]" 1
600 1 9 ILE MD 1 38 MET HB3 3.135 . 4.470 4.452 4.139 4.613 0.143 15 0 "[ . 1 . 2]" 1
601 1 9 ILE MD 1 63 LEU HA 3.340 . 4.880 3.608 3.245 3.948 . 0 0 "[ . 1 . 2]" 1
602 1 9 ILE HA 1 9 ILE MD 2.865 . 3.930 3.763 3.697 3.814 . 0 0 "[ . 1 . 2]" 1
603 1 9 ILE MD 1 63 LEU HG 3.650 . 5.500 3.726 3.330 4.235 . 0 0 "[ . 1 . 2]" 1
604 1 9 ILE MD 1 62 ASP HB2 3.275 . 4.750 3.210 2.491 4.623 . 0 0 "[ . 1 . 2]" 1
605 1 33 ILE HG13 1 33 ILE MG 2.920 . 4.040 3.206 3.198 3.215 . 0 0 "[ . 1 . 2]" 1
606 1 22 THR MG 1 33 ILE MG 3.055 . 4.310 4.317 4.218 4.361 0.051 8 0 "[ . 1 . 2]" 1
607 1 33 ILE MG 1 45 ALA HA 3.065 . 4.330 3.606 3.403 3.968 . 0 0 "[ . 1 . 2]" 1
608 1 33 ILE HG12 1 33 ILE MG 2.920 . 4.040 2.388 2.360 2.416 . 0 0 "[ . 1 . 2]" 1
609 1 33 ILE MG 1 56 VAL MG1 3.270 . 4.740 3.085 2.582 3.516 . 0 0 "[ . 1 . 2]" 1
610 1 32 GLN HA 1 33 ILE MG 3.040 . 4.280 3.612 3.410 3.785 . 0 0 "[ . 1 . 2]" 1
611 1 21 PHE HB3 1 33 ILE MG 2.905 . 4.010 3.089 2.866 3.353 . 0 0 "[ . 1 . 2]" 1
612 1 38 MET ME 1 43 LYS HA 3.000 . 4.200 3.729 3.309 4.217 0.017 15 0 "[ . 1 . 2]" 1
613 1 38 MET HB3 1 38 MET ME 2.730 . 3.660 2.081 1.941 2.188 . 0 0 "[ . 1 . 2]" 1
614 1 38 MET ME 1 56 VAL HB 3.010 . 4.220 3.504 2.565 4.293 0.073 7 0 "[ . 1 . 2]" 1
615 1 9 ILE MD 1 38 MET ME 2.790 . 3.780 2.074 1.792 2.568 0.008 7 0 "[ . 1 . 2]" 1
616 1 33 ILE MD 1 38 MET ME 2.575 . 3.350 2.440 2.109 2.704 . 0 0 "[ . 1 . 2]" 1
617 1 38 MET ME 1 43 LYS HB2 2.785 . 3.770 3.463 2.818 3.843 0.073 18 0 "[ . 1 . 2]" 1
618 1 38 MET HB2 1 38 MET ME 2.915 . 4.030 3.185 3.016 3.439 . 0 0 "[ . 1 . 2]" 1
619 1 38 MET ME 1 63 LEU MD1 3.215 . 4.630 3.634 2.995 4.181 . 0 0 "[ . 1 . 2]" 1
620 1 33 ILE MG 1 38 MET ME 2.850 . 3.900 3.384 3.086 3.670 . 0 0 "[ . 1 . 2]" 1
621 1 35 LEU HA 1 38 MET ME 3.430 . 5.060 4.312 3.937 4.713 . 0 0 "[ . 1 . 2]" 1
622 1 38 MET ME 1 38 MET HG2 2.900 . 4.000 2.438 2.392 2.484 . 0 0 "[ . 1 . 2]" 1
623 1 9 ILE HB 1 38 MET ME 3.395 . 4.990 3.168 2.479 3.564 . 0 0 "[ . 1 . 2]" 1
624 1 9 ILE HG13 1 9 ILE MG 2.825 . 3.850 3.201 3.190 3.207 . 0 0 "[ . 1 . 2]" 1
625 1 9 ILE HG12 1 9 ILE MG 2.825 . 3.850 2.366 2.301 2.415 . 0 0 "[ . 1 . 2]" 1
626 1 9 ILE MG 1 58 PHE HB2 3.500 . 5.200 3.585 3.153 4.738 . 0 0 "[ . 1 . 2]" 1
627 1 38 MET HA 1 38 MET ME 3.065 . 4.330 3.773 3.387 3.906 . 0 0 "[ . 1 . 2]" 1
628 1 9 ILE MG 1 58 PHE HB3 3.500 . 5.200 3.944 3.335 4.879 . 0 0 "[ . 1 . 2]" 1
629 1 12 MET ME 1 33 ILE HB 3.090 . 4.380 3.621 3.014 4.067 . 0 0 "[ . 1 . 2]" 1
630 1 12 MET ME 1 21 PHE HA 3.185 . 4.570 4.172 3.912 4.562 . 0 0 "[ . 1 . 2]" 1
631 1 12 MET ME 1 22 THR HA 2.900 . 4.000 3.016 2.718 3.210 . 0 0 "[ . 1 . 2]" 1
632 1 12 MET ME 1 22 THR H 2.920 . 4.040 3.381 3.158 3.580 . 0 0 "[ . 1 . 2]" 1
633 1 12 MET ME 1 22 THR MG 3.140 . 4.480 4.352 4.094 4.510 0.030 14 0 "[ . 1 . 2]" 1
634 1 12 MET ME 1 33 ILE MG 2.580 . 3.360 2.198 1.906 2.592 . 0 0 "[ . 1 . 2]" 1
635 1 12 MET ME 1 45 ALA MB 2.735 . 3.670 2.278 2.030 2.580 . 0 0 "[ . 1 . 2]" 1
636 1 12 MET ME 1 23 TYR HA 3.325 . 4.850 3.888 3.543 4.348 . 0 0 "[ . 1 . 2]" 1
637 1 12 MET ME 1 56 VAL MG1 3.115 . 4.430 3.578 2.708 4.213 . 0 0 "[ . 1 . 2]" 1
638 1 12 MET ME 1 32 GLN HA 3.320 . 4.840 4.205 3.664 4.643 . 0 0 "[ . 1 . 2]" 1
639 1 12 MET HA 1 12 MET ME 2.890 . 3.980 3.574 3.168 4.019 0.039 5 0 "[ . 1 . 2]" 1
640 1 12 MET H 1 12 MET ME 3.465 . 5.130 4.728 4.573 5.344 0.214 5 0 "[ . 1 . 2]" 1
641 1 12 MET ME 1 33 ILE MD 2.990 . 4.180 3.786 3.495 4.042 . 0 0 "[ . 1 . 2]" 1
642 1 12 MET ME 1 56 VAL MG2 3.115 . 4.430 3.000 2.120 3.573 . 0 0 "[ . 1 . 2]" 1
643 1 12 MET ME 1 38 MET ME 3.285 . 4.770 4.773 4.549 4.815 0.045 2 0 "[ . 1 . 2]" 1
644 1 12 MET ME 1 22 THR HB 3.525 . 5.250 4.808 4.611 5.039 . 0 0 "[ . 1 . 2]" 1
645 1 18 ASN HB3 1 20 MET ME 2.950 . 4.100 2.459 1.903 3.481 . 0 0 "[ . 1 . 2]" 1
646 1 20 MET ME 1 33 ILE H 3.405 . 5.010 4.677 3.747 5.032 0.022 2 0 "[ . 1 . 2]" 1
647 1 18 ASN HB2 1 20 MET ME 3.000 . 4.200 2.701 2.309 4.280 0.080 17 0 "[ . 1 . 2]" 1
648 1 18 ASN HA 1 20 MET ME 3.430 . 5.060 4.556 4.228 4.826 . 0 0 "[ . 1 . 2]" 1
649 1 20 MET ME 1 20 MET HG2 2.650 . 3.500 2.503 2.430 2.558 . 0 0 "[ . 1 . 2]" 1
650 1 20 MET ME 1 22 THR MG 2.495 . 3.190 2.120 1.945 2.307 . 0 0 "[ . 1 . 2]" 1
651 1 18 ASN HD21 1 20 MET ME 2.935 . 4.070 3.220 1.778 4.251 0.181 7 0 "[ . 1 . 2]" 1
652 1 20 MET ME 1 20 MET HG3 2.650 . 3.500 2.490 2.460 2.543 . 0 0 "[ . 1 . 2]" 1
653 1 53 MET HA 1 53 MET ME 3.155 . 4.510 4.290 4.256 4.322 . 0 0 "[ . 1 . 2]" 1
654 1 3 THR MG 1 53 MET ME 3.135 . 4.470 3.900 2.979 4.497 0.027 10 0 "[ . 1 . 2]" 1
655 1 53 MET ME 1 53 MET HG2 2.875 . 3.950 3.392 3.377 3.406 . 0 0 "[ . 1 . 2]" 1
656 1 53 MET ME 1 53 MET HG3 2.785 . 3.770 2.474 2.418 2.518 . 0 0 "[ . 1 . 2]" 1
657 1 7 ILE MG 1 11 ASP HB2 3.025 . 4.250 2.825 2.215 3.098 . 0 0 "[ . 1 . 2]" 1
658 1 3 THR HA 1 53 MET ME 3.280 . 4.760 4.435 4.149 4.783 0.023 1 0 "[ . 1 . 2]" 1
659 1 52 LEU HA 1 53 MET ME 3.055 . 4.310 3.840 3.381 4.003 . 0 0 "[ . 1 . 2]" 1
660 1 7 ILE MG 1 11 ASP HB3 3.025 . 4.250 2.025 1.789 2.746 0.011 15 0 "[ . 1 . 2]" 1
661 1 67 TYR HA 1 72 ILE MG 3.265 . 4.730 4.091 3.712 4.709 . 0 0 "[ . 1 . 2]" 1
662 1 1 MET HA 1 53 MET ME 3.180 . 4.560 3.255 1.925 4.620 0.060 7 0 "[ . 1 . 2]" 1
663 1 78 ILE HG12 1 78 ILE MG 2.740 . 3.680 2.376 2.131 2.430 . 0 0 "[ . 1 . 2]" 1
664 1 72 ILE HG12 1 72 ILE MG 2.840 . 3.880 2.401 2.366 2.470 . 0 0 "[ . 1 . 2]" 1
665 1 52 LEU HA 1 54 ILE MG 3.650 . 5.500 5.006 4.744 5.400 . 0 0 "[ . 1 . 2]" 1
666 1 72 ILE HG13 1 72 ILE MG 2.680 . 3.560 3.197 3.189 3.207 . 0 0 "[ . 1 . 2]" 1
667 1 64 ALA MB 1 78 ILE MD 2.975 . 4.150 2.843 2.100 4.186 0.036 18 0 "[ . 1 . 2]" 1
668 1 31 PHE HB3 1 54 ILE MG 3.650 . 5.500 5.253 4.834 5.531 0.031 6 0 "[ . 1 . 2]" 1
669 1 53 MET HG3 1 54 ILE MG 3.650 . 5.500 5.570 5.517 5.660 0.160 7 0 "[ . 1 . 2]" 1
670 1 54 ILE HA 1 54 ILE MG 2.690 . 3.580 2.467 2.229 2.547 . 0 0 "[ . 1 . 2]" 1
671 1 54 ILE MD 1 54 ILE MG 2.530 . 3.260 2.245 1.962 3.225 . 0 0 "[ . 1 . 2]" 1
672 1 70 ALA MB 1 72 ILE MD 2.650 . 3.500 2.324 2.093 2.695 . 0 0 "[ . 1 . 2]" 1
673 1 19 GLN HA 1 70 ALA MB 3.080 . 4.360 2.157 1.759 2.737 0.041 4 0 "[ . 1 . 2]" 1
674 1 70 ALA MB 1 72 ILE HG13 2.695 . 3.590 2.206 1.968 3.043 . 0 0 "[ . 1 . 2]" 1
675 1 63 LEU HB3 1 63 LEU MD2 2.840 . 3.880 2.450 2.391 2.506 . 0 0 "[ . 1 . 2]" 1
676 1 63 LEU HA 1 63 LEU MD2 2.810 . 3.820 1.959 1.892 2.037 . 0 0 "[ . 1 . 2]" 1
677 1 38 MET HB3 1 63 LEU MD2 2.890 . 3.980 2.887 2.594 3.250 . 0 0 "[ . 1 . 2]" 1
678 1 9 ILE MD 1 63 LEU MD2 2.795 . 3.790 2.288 2.030 2.612 . 0 0 "[ . 1 . 2]" 1
679 1 33 ILE HB 1 45 ALA MB 2.755 . 3.710 2.153 1.834 2.371 . 0 0 "[ . 1 . 2]" 1
680 1 33 ILE HA 1 45 ALA MB 2.935 . 4.070 3.952 3.604 4.148 0.078 9 0 "[ . 1 . 2]" 1
681 1 39 PHE HA 1 63 LEU MD2 3.645 . 5.490 4.502 4.146 5.066 . 0 0 "[ . 1 . 2]" 1
682 1 31 PHE HB3 1 45 ALA MB 2.865 . 3.930 2.234 2.075 2.481 . 0 0 "[ . 1 . 2]" 1
683 1 45 ALA MB 1 54 ILE MG 3.215 . 4.630 4.416 4.268 4.683 0.053 7 0 "[ . 1 . 2]" 1
684 1 45 ALA MB 1 54 ILE MD 2.645 . 3.490 1.812 1.743 1.931 0.057 3 0 "[ . 1 . 2]" 1
685 1 45 ALA MB 1 56 VAL MG1 3.305 . 4.810 3.892 3.323 4.370 . 0 0 "[ . 1 . 2]" 1
686 1 33 ILE MD 1 45 ALA MB 2.825 . 3.850 2.905 2.588 3.273 . 0 0 "[ . 1 . 2]" 1
687 1 44 VAL MG2 1 45 ALA H 3.040 . 4.280 2.647 2.579 2.730 . 0 0 "[ . 1 . 2]" 1
688 1 44 VAL HA 1 44 VAL MG2 2.810 . 3.820 2.517 2.472 2.562 . 0 0 "[ . 1 . 2]" 1
689 1 38 MET ME 1 56 VAL MG2 3.005 . 4.210 3.339 2.300 4.122 . 0 0 "[ . 1 . 2]" 1
690 1 56 VAL HA 1 56 VAL MG2 2.750 . 3.700 2.401 2.355 2.460 . 0 0 "[ . 1 . 2]" 1
691 1 33 ILE MG 1 56 VAL MG2 3.270 . 4.740 3.085 2.361 3.725 . 0 0 "[ . 1 . 2]" 1
692 1 45 ALA MB 1 56 VAL MG2 3.305 . 4.810 3.143 2.053 4.433 . 0 0 "[ . 1 . 2]" 1
693 1 56 VAL H 1 56 VAL MG2 3.020 . 4.240 3.292 2.762 3.948 . 0 0 "[ . 1 . 2]" 1
694 1 56 VAL HA 1 56 VAL MG1 2.750 . 3.700 2.729 2.359 3.218 . 0 0 "[ . 1 . 2]" 1
695 1 38 MET ME 1 56 VAL MG1 3.005 . 4.210 2.322 1.860 2.798 . 0 0 "[ . 1 . 2]" 1
696 1 13 THR HA 1 13 THR MG 2.405 . 3.010 2.330 2.276 2.409 . 0 0 "[ . 1 . 2]" 1
697 1 43 LYS HB2 1 56 VAL MG2 3.175 . 4.550 4.045 3.665 4.529 . 0 0 "[ . 1 . 2]" 1
698 1 43 LYS HB2 1 56 VAL MG1 3.175 . 4.550 3.063 1.771 4.163 0.029 5 0 "[ . 1 . 2]" 1
699 1 21 PHE HA 1 22 THR MG 3.055 . 4.310 3.701 3.473 3.877 . 0 0 "[ . 1 . 2]" 1
700 1 22 THR HA 1 22 THR MG 2.615 . 3.430 2.309 2.258 2.372 . 0 0 "[ . 1 . 2]" 1
701 1 22 THR MG 1 32 GLN HA 2.745 . 3.690 2.343 2.119 2.709 . 0 0 "[ . 1 . 2]" 1
702 1 22 THR MG 1 23 TYR H 2.825 . 3.850 3.629 3.505 3.731 . 0 0 "[ . 1 . 2]" 1
703 1 44 VAL MG1 1 55 ASP HA 2.975 . 4.150 4.264 4.222 4.307 0.157 4 0 "[ . 1 . 2]" 1
704 1 44 VAL HA 1 44 VAL MG1 2.810 . 3.820 3.189 3.175 3.199 . 0 0 "[ . 1 . 2]" 1
705 1 3 THR MG 1 44 VAL HA 3.100 . 4.400 3.816 3.431 4.322 . 0 0 "[ . 1 . 2]" 1
706 1 3 THR MG 1 55 ASP HA 3.115 . 4.430 3.102 2.668 3.655 . 0 0 "[ . 1 . 2]" 1
707 1 3 THR HA 1 3 THR MG 2.400 . 3.000 2.233 2.185 2.284 . 0 0 "[ . 1 . 2]" 1
708 1 3 THR MG 1 54 ILE MG 3.115 . 4.430 3.981 3.698 4.307 . 0 0 "[ . 1 . 2]" 1
709 1 35 LEU MD1 1 38 MET HB2 3.390 . 4.980 2.856 1.959 4.955 . 0 0 "[ . 1 . 2]" 1
710 1 35 LEU MD1 1 38 MET HG3 3.185 . 4.570 4.112 2.472 4.778 0.208 13 0 "[ . 1 . 2]" 1
711 1 35 LEU HA 1 35 LEU MD1 3.010 . 4.220 2.457 1.808 3.671 . 0 0 "[ . 1 . 2]" 1
712 1 35 LEU MD1 1 63 LEU MD2 3.650 . 5.500 2.230 1.808 4.106 . 0 0 "[ . 1 . 2]" 1
713 1 35 LEU MD2 1 67 TYR HA 3.595 . 5.390 4.839 3.284 5.410 0.020 3 0 "[ . 1 . 2]" 1
714 1 35 LEU MD2 1 38 MET HB2 3.390 . 4.980 3.241 2.285 4.780 . 0 0 "[ . 1 . 2]" 1
715 1 35 LEU MD2 1 38 MET HG3 3.185 . 4.570 3.757 3.360 4.876 0.306 19 0 "[ . 1 . 2]" 1
716 1 35 LEU MD2 1 63 LEU MD2 3.650 . 5.500 2.526 1.842 4.178 . 0 0 "[ . 1 . 2]" 1
717 1 63 LEU HA 1 63 LEU MD1 3.025 . 4.250 3.803 3.755 3.845 . 0 0 "[ . 1 . 2]" 1
718 1 35 LEU HG 1 63 LEU MD1 3.650 . 5.500 5.376 3.793 5.539 0.039 11 0 "[ . 1 . 2]" 1
719 1 63 LEU HB3 1 63 LEU MD1 2.850 . 3.900 2.302 2.264 2.336 . 0 0 "[ . 1 . 2]" 1
720 1 38 MET HB3 1 63 LEU MD1 3.070 . 4.340 3.183 2.324 3.705 . 0 0 "[ . 1 . 2]" 1
721 1 59 ASP HA 1 63 LEU MD1 3.650 . 5.500 4.910 4.685 5.203 . 0 0 "[ . 1 . 2]" 1
722 1 29 ASP HB3 1 48 PRO HG2 2.735 . 3.670 1.964 1.745 2.388 0.055 3 0 "[ . 1 . 2]" 1
723 1 63 LEU HA 1 63 LEU HG 2.860 . 3.920 3.196 3.153 3.259 . 0 0 "[ . 1 . 2]" 1
724 1 16 PRO HG2 1 17 GLU HA 3.205 . 4.610 4.371 4.232 4.618 0.008 17 0 "[ . 1 . 2]" 1
725 1 16 PRO HG2 1 70 ALA HA 3.630 . 5.460 4.837 4.437 5.418 . 0 0 "[ . 1 . 2]" 1
726 1 52 LEU H 1 52 LEU HG 3.275 . 4.750 4.421 3.536 4.650 . 0 0 "[ . 1 . 2]" 1
727 1 52 LEU HA 1 52 LEU HG 2.845 . 3.890 2.871 2.414 3.678 . 0 0 "[ . 1 . 2]" 1
728 1 78 ILE HG13 1 78 ILE MG 2.740 . 3.680 3.193 2.899 3.215 . 0 0 "[ . 1 . 2]" 1
729 1 66 TYR HA 1 69 GLU HB3 2.955 . 4.110 3.731 2.139 4.175 0.065 2 0 "[ . 1 . 2]" 1
730 1 74 PRO HB2 1 75 PRO HD2 3.330 . 4.860 4.052 3.186 4.690 . 0 0 "[ . 1 . 2]" 1
731 1 1 MET HA 1 1 MET HG3 2.955 . 4.110 3.121 2.446 3.790 . 0 0 "[ . 1 . 2]" 1
732 1 46 VAL HB 1 53 MET HG2 2.955 . 4.110 2.801 2.052 4.126 0.016 15 0 "[ . 1 . 2]" 1
733 1 24 PRO HB2 1 25 CYS H 3.105 . 4.410 3.971 3.604 4.161 . 0 0 "[ . 1 . 2]" 1
734 1 46 VAL HA 1 53 MET HG3 3.195 . 4.590 3.319 2.762 3.748 . 0 0 "[ . 1 . 2]" 1
735 1 52 LEU HA 1 53 MET HG3 3.135 . 4.470 3.602 2.962 3.903 . 0 0 "[ . 1 . 2]" 1
736 1 25 CYS H 1 30 ARG HB2 3.265 . 4.730 3.523 2.648 4.675 . 0 0 "[ . 1 . 2]" 1
737 1 25 CYS H 1 30 ARG HB3 3.265 . 4.730 2.881 2.369 3.525 . 0 0 "[ . 1 . 2]" 1
738 1 55 ASP HA 1 56 VAL HB 3.260 . 4.720 4.553 4.432 4.625 . 0 0 "[ . 1 . 2]" 1
739 1 44 VAL HB 1 54 ILE H 3.485 . 5.170 4.989 4.717 5.208 0.038 13 0 "[ . 1 . 2]" 1
740 1 44 VAL HB 1 56 VAL H 3.485 . 5.170 4.354 4.063 4.546 . 0 0 "[ . 1 . 2]" 1
741 1 38 MET HB2 1 63 LEU MD2 3.455 . 5.110 3.008 2.695 3.338 . 0 0 "[ . 1 . 2]" 1
742 1 17 GLU HA 1 17 GLU HG3 2.905 . 4.010 3.147 2.441 3.865 . 0 0 "[ . 1 . 2]" 1
743 1 17 GLU HA 1 17 GLU HG2 2.905 . 4.010 2.934 2.479 3.731 . 0 0 "[ . 1 . 2]" 1
744 1 20 MET HB2 1 22 THR MG 3.140 . 4.480 4.033 3.696 4.335 . 0 0 "[ . 1 . 2]" 1
745 1 78 ILE HB 1 78 ILE MD 2.715 . 3.630 2.410 2.209 2.442 . 0 0 "[ . 1 . 2]" 1
746 1 36 ASP HA 1 39 PHE HB2 3.270 . 4.740 3.742 3.298 4.229 . 0 0 "[ . 1 . 2]" 1
747 1 18 ASN HB2 1 20 MET HG3 3.650 . 5.500 3.942 3.276 5.384 . 0 0 "[ . 1 . 2]" 1
748 1 18 ASN HB3 1 20 MET HG3 3.120 . 4.440 3.811 3.226 4.386 . 0 0 "[ . 1 . 2]" 1
749 1 17 GLU HB2 1 18 ASN HB2 3.345 . 4.890 4.149 3.323 4.679 . 0 0 "[ . 1 . 2]" 1
750 1 18 ASN HB2 1 20 MET HG2 3.650 . 5.500 2.741 1.863 4.593 . 0 0 "[ . 1 . 2]" 1
751 1 18 ASN HB3 1 20 MET HG2 3.120 . 4.440 2.351 1.762 3.012 0.038 7 0 "[ . 1 . 2]" 1
752 1 3 THR MG 1 54 ILE HB 3.110 . 4.420 4.343 4.204 4.444 0.024 10 0 "[ . 1 . 2]" 1
753 1 12 MET ME 1 21 PHE HB2 2.555 . 3.310 3.091 2.835 3.343 0.033 5 0 "[ . 1 . 2]" 1
754 1 6 GLU HA 1 55 ASP HB2 2.945 . 4.090 3.101 2.330 3.805 . 0 0 "[ . 1 . 2]" 1
755 1 35 LEU HB3 1 72 ILE MD 3.340 . 4.880 2.988 2.234 4.512 . 0 0 "[ . 1 . 2]" 1
756 1 74 PRO HB3 1 75 PRO HD3 3.330 . 4.860 4.226 3.738 4.622 . 0 0 "[ . 1 . 2]" 1
757 1 74 PRO HA 1 75 PRO HD3 2.795 . 3.790 2.102 1.796 2.430 0.004 14 0 "[ . 1 . 2]" 1
758 1 33 ILE HB 1 45 ALA HA 2.780 . 3.760 1.999 1.836 2.299 . 0 0 "[ . 1 . 2]" 1
759 1 74 PRO HB2 1 75 PRO HD3 3.330 . 4.860 4.569 3.688 4.905 0.045 11 0 "[ . 1 . 2]" 1
760 1 74 PRO HB3 1 75 PRO HD2 3.330 . 4.860 3.665 2.875 4.264 . 0 0 "[ . 1 . 2]" 1
761 1 73 HIS HA 1 74 PRO HD2 2.895 . 3.990 2.215 1.829 2.912 . 0 0 "[ . 1 . 2]" 1
762 1 73 HIS HA 1 74 PRO HD3 2.895 . 3.990 2.311 1.873 2.678 . 0 0 "[ . 1 . 2]" 1
763 1 23 TYR HA 1 24 PRO HD2 2.720 . 3.640 2.248 1.943 2.428 . 0 0 "[ . 1 . 2]" 1
764 1 23 TYR HA 1 24 PRO HD3 2.720 . 3.640 2.112 1.892 2.440 . 0 0 "[ . 1 . 2]" 1
765 1 15 GLU HA 1 16 PRO HD3 2.650 . 3.500 2.637 2.500 2.829 . 0 0 "[ . 1 . 2]" 1
766 1 15 GLU HA 1 16 PRO HG2 3.025 . 4.250 4.123 4.016 4.207 . 0 0 "[ . 1 . 2]" 1
767 1 13 THR MG 1 15 GLU HA 3.365 . 4.930 4.419 4.126 4.709 . 0 0 "[ . 1 . 2]" 1
768 1 16 PRO HA 1 70 ALA HA 2.980 . 4.160 2.875 1.797 3.810 0.003 5 0 "[ . 1 . 2]" 1
769 1 15 GLU HA 1 16 PRO HD2 2.650 . 3.500 1.941 1.844 2.018 . 0 0 "[ . 1 . 2]" 1
770 1 59 ASP HA 1 60 LYS HB2 3.400 . 5.000 4.799 4.521 5.060 0.060 15 0 "[ . 1 . 2]" 1
771 1 5 ASP HA 1 54 ILE MG 3.320 . 4.840 4.422 4.118 4.825 . 0 0 "[ . 1 . 2]" 1
772 1 17 GLU HB2 1 18 ASN HA 3.255 . 4.710 4.463 4.070 4.716 0.006 2 0 "[ . 1 . 2]" 1
773 1 5 ASP HA 1 7 ILE MD 3.470 . 5.140 4.826 4.497 5.170 0.030 12 0 "[ . 1 . 2]" 1
774 1 73 HIS HA 1 74 PRO HA 3.170 . 4.540 4.402 4.282 4.479 . 0 0 "[ . 1 . 2]" 1
775 1 44 VAL HB 1 55 ASP HA 3.150 . 4.500 2.811 2.725 2.954 . 0 0 "[ . 1 . 2]" 1
776 1 55 ASP HA 1 56 VAL H 2.570 . 3.340 2.334 2.275 2.418 . 0 0 "[ . 1 . 2]" 1
777 1 44 VAL MG2 1 55 ASP HA 2.975 . 4.150 3.249 2.938 3.475 . 0 0 "[ . 1 . 2]" 1
778 1 3 THR MG 1 53 MET HA 3.200 . 4.600 4.148 3.808 4.520 . 0 0 "[ . 1 . 2]" 1
779 1 53 MET HA 1 53 MET HG2 3.025 . 4.250 2.705 2.587 2.801 . 0 0 "[ . 1 . 2]" 1
780 1 6 GLU HA 1 55 ASP HB3 2.945 . 4.090 3.148 2.131 3.957 . 0 0 "[ . 1 . 2]" 1
781 1 22 THR HA 1 32 GLN HA 2.940 . 4.080 2.685 2.359 3.009 . 0 0 "[ . 1 . 2]" 1
782 1 7 ILE MG 1 11 ASP HA 3.535 . 5.270 4.423 4.173 4.686 . 0 0 "[ . 1 . 2]" 1
783 1 7 ILE MG 1 12 MET HA 3.650 . 5.500 4.523 3.489 5.456 . 0 0 "[ . 1 . 2]" 1
784 1 29 ASP HB3 1 30 ARG HA 3.170 . 4.540 4.387 4.213 4.476 . 0 0 "[ . 1 . 2]" 1
785 1 25 CYS HA 1 26 PRO HA 3.125 . 4.450 4.473 4.460 4.493 0.043 11 0 "[ . 1 . 2]" 1
786 1 33 ILE MD 1 43 LYS HA 2.785 . 3.770 2.452 2.144 2.856 . 0 0 "[ . 1 . 2]" 1
787 1 1 MET HA 1 1 MET HG2 2.955 . 4.110 2.926 2.438 3.751 . 0 0 "[ . 1 . 2]" 1
788 1 14 PHE HA 1 21 PHE HA 2.695 . 3.590 2.262 1.873 3.169 . 0 0 "[ . 1 . 2]" 1
789 1 40 GLU HA 1 40 GLU HG2 2.975 . 4.150 2.845 2.370 3.193 . 0 0 "[ . 1 . 2]" 1
790 1 46 VAL HB 1 47 CYS HA 3.650 . 5.500 5.457 4.715 5.757 0.257 3 0 "[ . 1 . 2]" 1
791 1 47 CYS HA 1 48 PRO HA 3.255 . 4.710 4.478 4.445 4.509 . 0 0 "[ . 1 . 2]" 1
792 1 40 GLU HA 1 40 GLU HG3 2.975 . 4.150 3.354 2.360 3.752 . 0 0 "[ . 1 . 2]" 1
793 1 29 ASP HB3 1 47 CYS HA 3.270 . 4.740 4.318 4.029 4.762 0.022 15 0 "[ . 1 . 2]" 1
794 1 8 GLU HA 1 57 VAL HB 2.575 . 3.350 1.905 1.767 2.431 0.033 3 0 "[ . 1 . 2]" 1
795 1 7 ILE HA 1 7 ILE MG 2.655 . 3.510 2.269 2.193 2.362 . 0 0 "[ . 1 . 2]" 1
796 1 7 ILE HA 1 7 ILE MD 2.760 . 3.720 3.589 3.393 3.854 0.134 12 0 "[ . 1 . 2]" 1
797 1 37 ASP HA 1 40 GLU HB3 3.060 . 4.320 3.921 2.730 4.347 0.027 8 0 "[ . 1 . 2]" 1
798 1 37 ASP HA 1 40 GLU HB2 2.960 . 4.120 2.786 2.334 3.352 . 0 0 "[ . 1 . 2]" 1
799 1 36 ASP HA 1 39 PHE HB3 3.270 . 4.740 3.068 2.457 3.731 . 0 0 "[ . 1 . 2]" 1
800 1 2 SER HA 1 3 THR MG 3.200 . 4.600 3.902 3.670 4.340 . 0 0 "[ . 1 . 2]" 1
801 1 2 SER HA 1 53 MET ME 3.100 . 4.400 3.939 2.667 4.430 0.030 13 0 "[ . 1 . 2]" 1
802 1 35 LEU HA 1 38 MET HG3 3.060 . 4.320 2.583 1.689 3.096 0.111 19 0 "[ . 1 . 2]" 1
803 1 35 LEU HA 1 38 MET HB2 2.985 . 4.170 2.602 2.193 2.928 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU HA 1 63 LEU MD2 3.650 . 5.500 3.899 3.377 4.372 . 0 0 "[ . 1 . 2]" 1
805 1 35 LEU HA 1 35 LEU MD2 3.010 . 4.220 2.131 1.817 3.753 . 0 0 "[ . 1 . 2]" 1
806 1 35 LEU HA 1 38 MET HG2 3.140 . 4.480 4.113 3.457 4.476 . 0 0 "[ . 1 . 2]" 1
807 1 38 MET HA 1 63 LEU MD1 3.525 . 5.250 4.600 3.815 5.122 . 0 0 "[ . 1 . 2]" 1
808 1 35 LEU HA 1 38 MET HB3 3.080 . 4.360 4.094 3.702 4.378 0.018 7 0 "[ . 1 . 2]" 1
809 1 38 MET HA 1 38 MET HG2 3.015 . 4.230 2.582 2.534 2.633 . 0 0 "[ . 1 . 2]" 1
810 1 38 MET HA 1 38 MET HG3 2.910 . 4.020 3.234 3.100 3.565 . 0 0 "[ . 1 . 2]" 1
811 1 49 SER HA 1 50 CYS HA 3.285 . 4.770 4.548 4.510 4.577 . 0 0 "[ . 1 . 2]" 1
812 1 20 MET HB2 1 34 TYR HA 2.945 . 4.090 2.775 2.448 3.473 . 0 0 "[ . 1 . 2]" 1
813 1 31 PHE HA 1 47 CYS HA 2.685 . 3.570 2.295 1.883 2.657 . 0 0 "[ . 1 . 2]" 1
814 1 21 PHE HB2 1 22 THR HA 3.650 . 5.500 4.837 4.590 4.976 . 0 0 "[ . 1 . 2]" 1
815 1 21 PHE HB3 1 22 THR HA 3.650 . 5.500 4.343 4.201 4.504 . 0 0 "[ . 1 . 2]" 1
816 1 72 ILE HA 1 72 ILE HG12 2.955 . 4.110 2.800 2.546 3.498 . 0 0 "[ . 1 . 2]" 1
817 1 61 GLU HA 1 65 GLU HB2 3.440 . 5.080 4.915 4.582 5.209 0.129 14 0 "[ . 1 . 2]" 1
818 1 72 ILE HA 1 72 ILE MG 2.530 . 3.260 2.245 2.156 2.370 . 0 0 "[ . 1 . 2]" 1
819 1 61 GLU HA 1 64 ALA MB 3.045 . 4.290 2.756 2.406 3.246 . 0 0 "[ . 1 . 2]" 1
820 1 72 ILE HA 1 72 ILE HG13 2.865 . 3.930 3.365 3.091 3.783 . 0 0 "[ . 1 . 2]" 1
821 1 61 GLU HA 1 78 ILE MD 2.900 . 4.000 3.265 2.315 4.037 0.037 14 0 "[ . 1 . 2]" 1
822 1 3 THR HB 1 54 ILE HA 2.800 . 3.800 2.689 2.112 3.504 . 0 0 "[ . 1 . 2]" 1
823 1 54 ILE HA 1 54 ILE MD 2.910 . 4.020 3.589 3.536 3.721 . 0 0 "[ . 1 . 2]" 1
824 1 3 THR MG 1 54 ILE HA 2.745 . 3.690 2.343 2.104 2.569 . 0 0 "[ . 1 . 2]" 1
825 1 60 LYS HA 1 63 LEU MD2 3.450 . 5.100 4.855 4.269 5.138 0.038 15 0 "[ . 1 . 2]" 1
826 1 33 ILE HA 1 45 ALA HA 2.895 . 3.990 3.302 2.792 3.659 . 0 0 "[ . 1 . 2]" 1
827 1 33 ILE HA 1 33 ILE MG 2.900 . 4.000 3.213 3.204 3.220 . 0 0 "[ . 1 . 2]" 1
828 1 60 LYS HA 1 63 LEU HB2 2.850 . 3.900 3.038 2.416 3.450 . 0 0 "[ . 1 . 2]" 1
829 1 60 LYS HA 1 63 LEU HG 2.840 . 3.880 3.449 2.774 3.785 . 0 0 "[ . 1 . 2]" 1
830 1 60 LYS HA 1 63 LEU MD1 3.105 . 4.410 2.885 2.286 3.351 . 0 0 "[ . 1 . 2]" 1
831 1 33 ILE HA 1 33 ILE HG13 2.920 . 4.040 2.478 2.419 2.524 . 0 0 "[ . 1 . 2]" 1
832 1 46 VAL HA 1 53 MET HA 2.745 . 3.690 2.418 2.304 2.547 . 0 0 "[ . 1 . 2]" 1
833 1 33 ILE HA 1 33 ILE HG12 2.920 . 4.040 3.130 3.082 3.184 . 0 0 "[ . 1 . 2]" 1
834 1 46 VAL HA 1 53 MET HG2 3.085 . 4.370 2.657 2.187 3.269 . 0 0 "[ . 1 . 2]" 1
835 1 65 GLU HA 1 66 TYR HA 3.300 . 4.800 4.742 4.678 4.779 . 0 0 "[ . 1 . 2]" 1
836 1 3 THR HA 1 54 ILE HA 2.980 . 4.160 2.942 2.655 3.393 . 0 0 "[ . 1 . 2]" 1
837 1 66 TYR HA 1 69 GLU HB2 2.660 . 3.520 2.327 1.885 2.951 . 0 0 "[ . 1 . 2]" 1
838 1 78 ILE HA 1 79 ALA MB 3.105 . 4.410 4.031 3.945 4.122 . 0 0 "[ . 1 . 2]" 1
839 1 74 PRO HA 1 75 PRO HD2 2.795 . 3.790 2.292 1.902 2.790 . 0 0 "[ . 1 . 2]" 1
840 1 78 ILE HA 1 78 ILE HG13 2.820 . 3.840 3.702 3.494 3.749 . 0 0 "[ . 1 . 2]" 1
841 1 78 ILE HA 1 78 ILE HG12 2.820 . 3.840 3.743 3.673 4.036 0.196 19 0 "[ . 1 . 2]" 1
842 1 78 ILE HA 1 78 ILE MG 2.515 . 3.230 2.318 2.243 2.362 . 0 0 "[ . 1 . 2]" 1
843 1 65 GLU HB3 1 66 TYR HA 3.360 . 4.920 4.101 3.734 4.337 . 0 0 "[ . 1 . 2]" 1
844 1 66 TYR HA 1 70 ALA MB 3.555 . 5.310 4.305 3.999 4.590 . 0 0 "[ . 1 . 2]" 1
845 1 39 PHE HA 1 63 LEU MD1 2.780 . 3.760 2.680 2.320 3.155 . 0 0 "[ . 1 . 2]" 1
846 1 8 GLU HA 1 57 VAL HA 3.545 . 5.290 4.461 4.094 4.986 . 0 0 "[ . 1 . 2]" 1
847 1 39 PHE HA 1 40 GLU HA 3.650 . 5.500 4.757 4.674 4.867 . 0 0 "[ . 1 . 2]" 1
848 1 56 VAL HA 1 57 VAL HA 3.355 . 4.910 4.389 4.360 4.409 . 0 0 "[ . 1 . 2]" 1
849 1 57 VAL HA 1 58 PHE HA 3.540 . 5.280 4.413 4.379 4.482 . 0 0 "[ . 1 . 2]" 1
850 1 57 VAL HA 1 57 VAL MG1 2.665 . 3.530 2.363 2.312 2.410 . 0 0 "[ . 1 . 2]" 1
851 1 57 VAL HA 1 57 VAL MG2 2.665 . 3.530 2.432 2.376 2.489 . 0 0 "[ . 1 . 2]" 1
852 1 77 PRO HA 1 78 ILE HA 3.165 . 4.530 4.361 4.296 4.404 . 0 0 "[ . 1 . 2]" 1
853 1 67 TYR HA 1 72 ILE HB 3.100 . 4.400 3.097 2.489 4.403 0.003 14 0 "[ . 1 . 2]" 1
854 1 67 TYR HA 1 72 ILE HG13 3.040 . 4.280 2.356 2.060 2.546 . 0 0 "[ . 1 . 2]" 1
855 1 67 TYR HA 1 70 ALA MB 2.835 . 3.870 3.264 2.954 3.564 . 0 0 "[ . 1 . 2]" 1
856 1 67 TYR HA 1 72 ILE HG12 3.065 . 4.330 3.787 3.068 3.997 . 0 0 "[ . 1 . 2]" 1
857 1 35 LEU MD1 1 67 TYR HA 3.595 . 5.390 4.412 3.552 5.312 . 0 0 "[ . 1 . 2]" 1
858 1 24 PRO HA 1 30 ARG HA 2.885 . 3.970 3.938 3.444 4.066 0.096 8 0 "[ . 1 . 2]" 1
859 1 16 PRO HA 1 70 ALA MB 2.850 . 3.900 2.291 1.968 2.583 . 0 0 "[ . 1 . 2]" 1
860 1 9 ILE HA 1 9 ILE HG13 2.750 . 3.700 2.446 2.322 2.522 . 0 0 "[ . 1 . 2]" 1
861 1 9 ILE HA 1 9 ILE HG12 2.750 . 3.700 3.150 3.104 3.195 . 0 0 "[ . 1 . 2]" 1
862 1 9 ILE HA 1 9 ILE MG 2.895 . 3.990 3.213 3.206 3.219 . 0 0 "[ . 1 . 2]" 1
863 1 22 THR HB 1 30 ARG HB2 3.135 . 4.470 2.903 2.467 3.306 . 0 0 "[ . 1 . 2]" 1
864 1 22 THR HB 1 30 ARG HB3 3.135 . 4.470 4.185 3.120 4.496 0.026 5 0 "[ . 1 . 2]" 1
865 1 1 MET HA 1 1 MET QG 2.620 . 3.440 2.568 2.374 3.342 . 0 0 "[ . 1 . 2]" 1
866 1 1 MET QB 1 2 SER H 2.990 . 4.180 3.379 1.775 4.006 0.025 11 0 "[ . 1 . 2]" 1
867 1 1 MET QB 1 2 SER HA 3.205 . 4.610 4.324 3.958 4.673 0.063 3 0 "[ . 1 . 2]" 1
868 1 2 SER H 1 2 SER QB 2.640 . 3.480 2.815 2.420 3.368 . 0 0 "[ . 1 . 2]" 1
869 1 2 SER QB 1 3 THR H 2.465 . 3.130 2.340 1.733 3.066 0.067 11 0 "[ . 1 . 2]" 1
870 1 3 THR HA 1 53 MET QB 2.840 . 3.880 3.548 3.129 3.967 0.087 1 0 "[ . 1 . 2]" 1
871 1 3 THR MG 1 53 MET QB 2.635 . 3.470 2.634 2.274 3.010 . 0 0 "[ . 1 . 2]" 1
872 1 3 THR MG 1 55 ASP QB 3.130 . 4.460 3.371 2.308 4.283 . 0 0 "[ . 1 . 2]" 1
873 1 4 TYR QB 1 5 ASP H 2.740 . 3.680 3.156 2.717 3.541 . 0 0 "[ . 1 . 2]" 1
874 1 4 TYR QB 1 54 ILE MG 3.425 . 5.050 3.867 2.829 5.163 0.113 7 0 "[ . 1 . 2]" 1
875 1 5 ASP H 1 5 ASP QB 2.735 . 3.670 2.606 2.380 2.920 . 0 0 "[ . 1 . 2]" 1
876 1 5 ASP H 1 6 GLU QB 3.570 . 5.340 4.797 4.502 5.085 . 0 0 "[ . 1 . 2]" 1
877 1 5 ASP QB 1 6 GLU H 2.725 . 3.650 2.802 2.233 3.383 . 0 0 "[ . 1 . 2]" 1
878 1 5 ASP QB 1 7 ILE MD 2.695 . 3.590 2.762 2.437 3.202 . 0 0 "[ . 1 . 2]" 1
879 1 5 ASP QB 1 54 ILE HB 3.155 . 4.510 2.317 1.941 2.972 . 0 0 "[ . 1 . 2]" 1
880 1 5 ASP QB 1 54 ILE MG 3.005 . 4.210 2.118 1.743 2.424 0.057 6 0 "[ . 1 . 2]" 1
881 1 5 ASP QB 1 54 ILE MD 3.270 . 4.740 4.228 3.881 4.518 . 0 0 "[ . 1 . 2]" 1
882 1 6 GLU H 1 6 GLU QB 2.560 . 3.320 2.724 2.509 2.843 . 0 0 "[ . 1 . 2]" 1
883 1 6 GLU H 1 6 GLU QG 3.095 . 4.390 4.143 4.095 4.197 . 0 0 "[ . 1 . 2]" 1
884 1 6 GLU HA 1 6 GLU QG 2.665 . 3.530 2.458 2.416 2.520 . 0 0 "[ . 1 . 2]" 1
885 1 6 GLU HA 1 55 ASP QB 2.675 . 3.550 2.524 2.119 2.930 . 0 0 "[ . 1 . 2]" 1
886 1 6 GLU QB 1 55 ASP H 3.175 . 4.550 3.680 3.388 4.585 0.035 7 0 "[ . 1 . 2]" 1
887 1 6 GLU QB 1 55 ASP QB 2.790 . 3.780 2.316 1.776 2.987 0.024 18 0 "[ . 1 . 2]" 1
888 1 6 GLU QG 1 7 ILE H 2.790 . 3.780 3.123 2.905 3.266 . 0 0 "[ . 1 . 2]" 1
889 1 6 GLU QG 1 55 ASP QB 3.490 . 5.180 1.996 1.750 2.508 0.050 4 0 "[ . 1 . 2]" 1
890 1 6 GLU QG 1 57 VAL H 3.125 . 4.450 3.460 2.962 4.163 . 0 0 "[ . 1 . 2]" 1
891 1 7 ILE H 1 55 ASP QB 3.160 . 4.520 4.024 3.715 4.335 . 0 0 "[ . 1 . 2]" 1
892 1 7 ILE MG 1 11 ASP QB 2.765 . 3.730 1.949 1.777 2.182 0.023 15 0 "[ . 1 . 2]" 1
893 1 8 GLU H 1 8 GLU QB 2.390 . 2.980 2.427 2.262 2.600 . 0 0 "[ . 1 . 2]" 1
894 1 8 GLU H 1 8 GLU QG 2.675 . 3.550 2.413 1.924 3.442 . 0 0 "[ . 1 . 2]" 1
895 1 8 GLU H 1 11 ASP QB 3.110 . 4.420 3.373 3.052 4.085 . 0 0 "[ . 1 . 2]" 1
896 1 8 GLU HA 1 8 GLU QG 2.585 . 3.370 2.501 2.323 3.100 . 0 0 "[ . 1 . 2]" 1
897 1 8 GLU QB 1 9 ILE H 2.995 . 4.190 2.774 2.592 2.990 . 0 0 "[ . 1 . 2]" 1
898 1 8 GLU QB 1 9 ILE MG 3.570 . 5.340 3.419 3.142 3.645 . 0 0 "[ . 1 . 2]" 1
899 1 8 GLU QB 1 10 GLU H 2.735 . 3.670 2.575 2.232 2.803 . 0 0 "[ . 1 . 2]" 1
900 1 8 GLU QB 1 11 ASP H 2.530 . 3.260 2.888 2.324 3.293 0.033 3 0 "[ . 1 . 2]" 1
901 1 8 GLU QG 1 9 ILE H 3.115 . 4.430 4.018 3.741 4.573 0.143 20 0 "[ . 1 . 2]" 1
902 1 9 ILE H 1 9 ILE QG 3.075 . 4.350 3.965 3.950 3.985 . 0 0 "[ . 1 . 2]" 1
903 1 9 ILE H 1 10 GLU QB 3.360 . 4.920 4.658 4.129 4.933 0.013 6 0 "[ . 1 . 2]" 1
904 1 9 ILE HA 1 12 MET QB 3.175 . 4.550 2.949 2.381 3.405 . 0 0 "[ . 1 . 2]" 1
905 1 9 ILE HB 1 58 PHE QB 3.445 . 5.090 2.980 2.660 3.632 . 0 0 "[ . 1 . 2]" 1
906 1 9 ILE MG 1 10 GLU QB 3.170 . 4.540 3.409 2.890 4.012 . 0 0 "[ . 1 . 2]" 1
907 1 9 ILE MG 1 10 GLU QG 3.570 . 5.340 3.499 2.168 4.889 . 0 0 "[ . 1 . 2]" 1
908 1 9 ILE MG 1 58 PHE QB 3.135 . 4.470 3.324 2.931 4.281 . 0 0 "[ . 1 . 2]" 1
909 1 9 ILE QG 1 10 GLU H 2.935 . 4.070 3.856 3.728 3.995 . 0 0 "[ . 1 . 2]" 1
910 1 9 ILE QG 1 12 MET H 3.420 . 5.040 4.664 4.447 4.958 . 0 0 "[ . 1 . 2]" 1
911 1 9 ILE QG 1 12 MET QB 3.260 . 4.720 3.409 3.095 3.911 . 0 0 "[ . 1 . 2]" 1
912 1 9 ILE MD 1 58 PHE QB 3.055 . 4.310 2.393 2.130 2.748 . 0 0 "[ . 1 . 2]" 1
913 1 9 ILE MD 1 62 ASP QB 2.890 . 3.980 2.445 1.923 3.327 . 0 0 "[ . 1 . 2]" 1
914 1 10 GLU H 1 10 GLU QB 2.390 . 2.980 2.401 2.172 2.613 . 0 0 "[ . 1 . 2]" 1
915 1 10 GLU H 1 10 GLU QG 3.140 . 4.480 2.821 1.835 4.008 . 0 0 "[ . 1 . 2]" 1
916 1 10 GLU H 1 11 ASP QB 3.260 . 4.720 4.439 4.294 4.602 . 0 0 "[ . 1 . 2]" 1
917 1 10 GLU HA 1 10 GLU QG 2.625 . 3.450 2.671 2.386 3.347 . 0 0 "[ . 1 . 2]" 1
918 1 10 GLU QB 1 11 ASP H 2.915 . 4.030 2.968 2.593 3.602 . 0 0 "[ . 1 . 2]" 1
919 1 11 ASP H 1 11 ASP QB 2.415 . 3.030 2.305 2.181 2.370 . 0 0 "[ . 1 . 2]" 1
920 1 11 ASP QB 1 12 MET H 2.875 . 3.950 2.685 2.472 2.889 . 0 0 "[ . 1 . 2]" 1
921 1 12 MET H 1 12 MET QB 2.655 . 3.510 2.398 2.119 2.505 . 0 0 "[ . 1 . 2]" 1
922 1 12 MET QB 1 12 MET ME 2.490 . 3.180 2.012 1.857 3.443 0.263 5 0 "[ . 1 . 2]" 1
923 1 12 MET QB 1 13 THR H 2.825 . 3.850 2.799 2.216 3.521 . 0 0 "[ . 1 . 2]" 1
924 1 12 MET QB 1 21 PHE HB2 2.990 . 4.180 3.856 3.029 4.257 0.077 5 0 "[ . 1 . 2]" 1
925 1 12 MET QB 1 22 THR H 3.215 . 4.630 3.738 3.297 4.659 0.029 5 0 "[ . 1 . 2]" 1
926 1 12 MET QB 1 33 ILE MG 3.425 . 5.050 4.100 3.616 4.692 . 0 0 "[ . 1 . 2]" 1
927 1 12 MET ME 1 23 TYR QB 2.955 . 4.110 2.131 1.804 2.631 . 0 0 "[ . 1 . 2]" 1
928 1 13 THR H 1 23 TYR QB 3.340 . 4.880 3.952 3.392 4.300 . 0 0 "[ . 1 . 2]" 1
929 1 13 THR H 1 24 PRO QD 3.330 . 4.860 3.553 3.018 4.431 . 0 0 "[ . 1 . 2]" 1
930 1 13 THR MG 1 24 PRO QD 3.005 . 4.210 3.895 3.307 4.239 0.029 1 0 "[ . 1 . 2]" 1
931 1 14 PHE H 1 14 PHE QB 2.485 . 3.170 2.648 2.474 2.885 . 0 0 "[ . 1 . 2]" 1
932 1 14 PHE QB 1 15 GLU H 2.860 . 3.920 3.019 2.888 3.241 . 0 0 "[ . 1 . 2]" 1
933 1 15 GLU H 1 15 GLU QB 2.565 . 3.330 2.495 2.353 2.666 . 0 0 "[ . 1 . 2]" 1
934 1 15 GLU H 1 16 PRO QD 3.135 . 4.470 3.649 3.462 3.891 . 0 0 "[ . 1 . 2]" 1
935 1 15 GLU QB 1 18 ASN H 3.000 . 4.200 3.295 2.202 3.830 . 0 0 "[ . 1 . 2]" 1
936 1 15 GLU QB 1 18 ASN HB2 3.570 . 5.340 3.061 2.287 4.540 . 0 0 "[ . 1 . 2]" 1
937 1 15 GLU QB 1 20 MET H 2.780 . 3.760 3.236 3.021 3.578 . 0 0 "[ . 1 . 2]" 1
938 1 15 GLU QB 1 21 PHE HA 3.175 . 4.550 3.839 3.412 4.482 . 0 0 "[ . 1 . 2]" 1
939 1 15 GLU QB 1 22 THR H 3.195 . 4.590 4.066 3.570 4.662 0.072 1 0 "[ . 1 . 2]" 1
940 1 15 GLU QB 1 22 THR MG 2.705 . 3.610 3.031 2.324 3.475 . 0 0 "[ . 1 . 2]" 1
941 1 16 PRO HA 1 19 GLN QE 2.935 . 4.070 3.842 3.624 4.100 0.030 16 0 "[ . 1 . 2]" 1
942 1 16 PRO QB 1 19 GLN HA 3.570 . 5.340 4.764 4.227 5.275 . 0 0 "[ . 1 . 2]" 1
943 1 16 PRO QB 1 69 GLU HB3 2.860 . 3.920 3.770 3.125 3.991 0.071 16 0 "[ . 1 . 2]" 1
944 1 16 PRO QB 1 70 ALA H 3.235 . 4.670 4.138 3.814 4.572 . 0 0 "[ . 1 . 2]" 1
945 1 16 PRO QB 1 70 ALA HA 2.490 . 3.180 2.302 1.828 2.837 . 0 0 "[ . 1 . 2]" 1
946 1 16 PRO QB 1 70 ALA MB 2.915 . 4.030 2.949 2.411 3.626 . 0 0 "[ . 1 . 2]" 1
947 1 16 PRO QD 1 17 GLU QG 3.015 . 4.230 3.539 3.011 4.313 0.083 4 0 "[ . 1 . 2]" 1
948 1 17 GLU H 1 17 GLU QG 2.610 . 3.420 2.194 1.802 2.873 . 0 0 "[ . 1 . 2]" 1
949 1 17 GLU HA 1 17 GLU QG 2.600 . 3.400 2.608 2.380 3.182 . 0 0 "[ . 1 . 2]" 1
950 1 17 GLU QG 1 18 ASN H 3.070 . 4.340 4.088 3.618 4.411 0.071 4 0 "[ . 1 . 2]" 1
951 1 18 ASN HA 1 20 MET QG 3.570 . 5.340 4.333 4.131 4.483 . 0 0 "[ . 1 . 2]" 1
952 1 18 ASN HB2 1 20 MET QG 3.280 . 4.760 2.681 1.855 4.350 . 0 0 "[ . 1 . 2]" 1
953 1 19 GLN H 1 19 GLN QG 2.640 . 3.480 3.332 3.250 3.487 0.007 16 0 "[ . 1 . 2]" 1
954 1 19 GLN H 1 19 GLN QE 2.725 . 3.650 2.385 2.013 2.623 . 0 0 "[ . 1 . 2]" 1
955 1 19 GLN H 1 20 MET QG 3.570 . 5.340 4.085 3.908 4.240 . 0 0 "[ . 1 . 2]" 1
956 1 19 GLN HA 1 19 GLN QG 2.625 . 3.450 2.395 2.183 3.089 . 0 0 "[ . 1 . 2]" 1
957 1 19 GLN HA 1 19 GLN QE 2.945 . 4.090 3.048 2.740 3.180 . 0 0 "[ . 1 . 2]" 1
958 1 19 GLN HA 1 20 MET QG 3.570 . 5.340 4.786 4.644 4.856 . 0 0 "[ . 1 . 2]" 1
959 1 19 GLN QB 1 20 MET H 3.040 . 4.280 3.869 3.748 3.903 . 0 0 "[ . 1 . 2]" 1
960 1 19 GLN QB 1 35 LEU QD 3.215 . 4.630 4.371 3.398 4.685 0.055 17 0 "[ . 1 . 2]" 1
961 1 19 GLN QE 1 19 GLN QG 2.455 . 3.110 2.183 2.133 2.697 . 0 0 "[ . 1 . 2]" 1
962 1 19 GLN QG 1 20 MET H 3.330 . 4.860 4.824 4.695 4.870 0.010 1 0 "[ . 1 . 2]" 1
963 1 19 GLN QG 1 70 ALA MB 2.775 . 3.750 2.349 1.995 3.731 . 0 0 "[ . 1 . 2]" 1
964 1 19 GLN QG 1 72 ILE H 3.400 . 5.000 4.272 3.733 5.171 0.171 17 0 "[ . 1 . 2]" 1
965 1 19 GLN QG 1 72 ILE HA 3.420 . 5.040 3.131 2.314 4.152 . 0 0 "[ . 1 . 2]" 1
966 1 19 GLN QG 1 72 ILE MG 3.235 . 4.670 2.676 1.799 3.041 0.001 14 0 "[ . 1 . 2]" 1
967 1 19 GLN QG 1 72 ILE HG12 3.100 . 4.400 2.253 1.815 3.529 . 0 0 "[ . 1 . 2]" 1
968 1 19 GLN QG 1 72 ILE MD 2.875 . 3.950 3.191 2.690 3.945 . 0 0 "[ . 1 . 2]" 1
969 1 19 GLN QE 1 20 MET H 3.380 . 4.960 4.770 4.219 4.913 . 0 0 "[ . 1 . 2]" 1
970 1 19 GLN QE 1 70 ALA MB 2.790 . 3.780 2.984 2.246 3.797 0.017 5 0 "[ . 1 . 2]" 1
971 1 19 GLN QE 1 72 ILE MG 3.570 . 5.340 5.166 4.228 5.404 0.064 9 0 "[ . 1 . 2]" 1
972 1 19 GLN QE 1 72 ILE MD 3.570 . 5.340 4.990 4.535 5.349 0.009 5 0 "[ . 1 . 2]" 1
973 1 20 MET H 1 20 MET QG 2.620 . 3.440 2.541 2.415 2.657 . 0 0 "[ . 1 . 2]" 1
974 1 20 MET HA 1 20 MET QG 2.745 . 3.690 3.341 3.332 3.351 . 0 0 "[ . 1 . 2]" 1
975 1 20 MET ME 1 20 MET QG 2.325 . 2.850 2.224 2.181 2.236 . 0 0 "[ . 1 . 2]" 1
976 1 20 MET QG 1 21 PHE H 2.780 . 3.760 3.307 3.120 3.557 . 0 0 "[ . 1 . 2]" 1
977 1 20 MET QG 1 22 THR H 3.570 . 5.340 4.611 4.487 4.720 . 0 0 "[ . 1 . 2]" 1
978 1 20 MET QG 1 22 THR MG 2.505 . 3.210 2.444 2.176 2.651 . 0 0 "[ . 1 . 2]" 1
979 1 20 MET QG 1 32 GLN HA 3.570 . 5.340 4.554 4.119 4.842 . 0 0 "[ . 1 . 2]" 1
980 1 20 MET QG 1 33 ILE MG 3.525 . 5.250 4.783 4.372 5.009 . 0 0 "[ . 1 . 2]" 1
981 1 20 MET ME 1 32 GLN QE 3.255 . 4.710 3.940 3.070 4.698 . 0 0 "[ . 1 . 2]" 1
982 1 22 THR HA 1 30 ARG QB 3.180 . 4.560 4.450 4.095 4.591 0.031 11 0 "[ . 1 . 2]" 1
983 1 22 THR HA 1 32 GLN QB 3.520 . 5.240 4.297 3.703 4.738 . 0 0 "[ . 1 . 2]" 1
984 1 22 THR HB 1 30 ARG QB 2.780 . 3.760 2.847 2.446 3.211 . 0 0 "[ . 1 . 2]" 1
985 1 22 THR HB 1 30 ARG QG 3.570 . 5.340 2.597 1.855 3.762 . 0 0 "[ . 1 . 2]" 1
986 1 22 THR HB 1 30 ARG QD 2.815 . 3.830 2.461 1.723 3.835 0.077 18 0 "[ . 1 . 2]" 1
987 1 22 THR HB 1 32 GLN QB 3.570 . 5.340 4.762 4.058 5.385 0.045 19 0 "[ . 1 . 2]" 1
988 1 22 THR MG 1 30 ARG QD 2.730 . 3.660 2.713 2.014 3.502 . 0 0 "[ . 1 . 2]" 1
989 1 22 THR MG 1 32 GLN QB 3.030 . 4.260 2.831 2.139 3.357 . 0 0 "[ . 1 . 2]" 1
990 1 23 TYR H 1 23 TYR QB 2.715 . 3.630 2.629 2.437 2.784 . 0 0 "[ . 1 . 2]" 1
991 1 23 TYR H 1 24 PRO QD 3.045 . 4.290 4.067 3.881 4.271 . 0 0 "[ . 1 . 2]" 1
992 1 23 TYR H 1 30 ARG QB 3.110 . 4.420 2.991 2.648 3.566 . 0 0 "[ . 1 . 2]" 1
993 1 23 TYR HA 1 24 PRO QG 3.180 . 4.560 3.794 3.749 3.879 . 0 0 "[ . 1 . 2]" 1
994 1 23 TYR HA 1 30 ARG QB 3.340 . 4.880 4.371 4.186 4.652 . 0 0 "[ . 1 . 2]" 1
995 1 23 TYR QB 1 31 PHE H 3.030 . 4.260 3.460 3.263 3.652 . 0 0 "[ . 1 . 2]" 1
996 1 24 PRO HA 1 30 ARG QG 3.335 . 4.870 4.435 3.038 4.916 0.046 12 0 "[ . 1 . 2]" 1
997 1 24 PRO QB 1 25 CYS H 2.680 . 3.560 3.465 3.318 3.613 0.053 10 0 "[ . 1 . 2]" 1
998 1 25 CYS H 1 30 ARG QB 2.970 . 4.140 2.738 2.216 3.315 . 0 0 "[ . 1 . 2]" 1
999 1 25 CYS HA 1 26 PRO QD 2.640 . 3.480 1.829 1.776 1.995 0.024 1 0 "[ . 1 . 2]" 1
1000 1 26 PRO QB 1 27 CYS H 2.740 . 3.680 3.473 3.447 3.500 . 0 0 "[ . 1 . 2]" 1
1001 1 27 CYS H 1 27 CYS QB 2.675 . 3.550 3.342 3.309 3.387 . 0 0 "[ . 1 . 2]" 1
1002 1 27 CYS QB 1 28 GLY H 2.780 . 3.760 3.262 3.159 3.353 . 0 0 "[ . 1 . 2]" 1
1003 1 29 ASP HA 1 30 ARG QG 3.245 . 4.690 3.752 3.298 4.139 . 0 0 "[ . 1 . 2]" 1
1004 1 30 ARG H 1 30 ARG QG 2.745 . 3.690 2.083 1.845 3.043 . 0 0 "[ . 1 . 2]" 1
1005 1 30 ARG H 1 30 ARG QD 3.175 . 4.550 3.576 1.751 4.217 0.049 9 0 "[ . 1 . 2]" 1
1006 1 30 ARG HA 1 30 ARG QD 3.375 . 4.950 4.292 3.620 4.566 . 0 0 "[ . 1 . 2]" 1
1007 1 30 ARG QB 1 30 ARG QD 2.535 . 3.270 2.284 2.102 2.420 . 0 0 "[ . 1 . 2]" 1
1008 1 30 ARG QB 1 31 PHE H 2.790 . 3.780 2.713 2.522 2.814 . 0 0 "[ . 1 . 2]" 1
1009 1 32 GLN H 1 32 GLN QB 2.555 . 3.310 2.852 2.485 3.127 . 0 0 "[ . 1 . 2]" 1
1010 1 32 GLN QB 1 32 GLN QE 2.485 . 3.170 2.148 1.741 3.335 0.165 18 0 "[ . 1 . 2]" 1
1011 1 32 GLN QB 1 47 CYS HA 3.260 . 4.720 4.497 3.606 4.820 0.100 2 0 "[ . 1 . 2]" 1
1012 1 32 GLN QE 1 48 PRO HB3 3.040 . 4.280 4.203 3.893 4.342 0.062 10 0 "[ . 1 . 2]" 1
1013 1 33 ILE H 1 33 ILE QG 3.300 . 4.800 4.094 4.059 4.134 . 0 0 "[ . 1 . 2]" 1
1014 1 33 ILE HA 1 33 ILE QG 2.665 . 3.530 2.389 2.341 2.432 . 0 0 "[ . 1 . 2]" 1
1015 1 33 ILE MG 1 35 LEU QD 3.130 . 4.460 4.200 3.602 4.554 0.094 7 0 "[ . 1 . 2]" 1
1016 1 33 ILE QG 1 34 TYR H 2.690 . 3.580 2.525 2.303 2.710 . 0 0 "[ . 1 . 2]" 1
1017 1 33 ILE QG 1 34 TYR HA 3.205 . 4.610 4.061 3.918 4.260 . 0 0 "[ . 1 . 2]" 1
1018 1 33 ILE QG 1 35 LEU QD 3.470 . 5.140 4.483 4.020 4.903 . 0 0 "[ . 1 . 2]" 1
1019 1 33 ILE QG 1 37 ASP H 3.570 . 5.340 4.722 4.303 5.083 . 0 0 "[ . 1 . 2]" 1
1020 1 33 ILE QG 1 38 MET H 3.155 . 4.510 3.939 3.689 4.231 . 0 0 "[ . 1 . 2]" 1
1021 1 33 ILE QG 1 38 MET ME 2.870 . 3.940 3.780 3.428 3.977 0.037 5 0 "[ . 1 . 2]" 1
1022 1 34 TYR HA 1 35 LEU QD 3.315 . 4.830 4.427 3.198 4.869 0.039 3 0 "[ . 1 . 2]" 1
1023 1 34 TYR QB 1 36 ASP H 2.720 . 3.640 2.767 2.493 3.114 . 0 0 "[ . 1 . 2]" 1
1024 1 34 TYR QB 1 37 ASP H 2.910 . 4.020 2.731 2.392 2.904 . 0 0 "[ . 1 . 2]" 1
1025 1 34 TYR QB 1 38 MET H 3.570 . 5.340 4.349 4.002 4.663 . 0 0 "[ . 1 . 2]" 1
1026 1 35 LEU H 1 35 LEU QB 2.680 . 3.560 2.112 2.036 2.296 . 0 0 "[ . 1 . 2]" 1
1027 1 35 LEU H 1 35 LEU QD 2.830 . 3.860 3.194 2.054 3.566 . 0 0 "[ . 1 . 2]" 1
1028 1 35 LEU HA 1 35 LEU QD 2.595 . 3.390 1.857 1.776 2.486 0.024 14 0 "[ . 1 . 2]" 1
1029 1 35 LEU QB 1 36 ASP H 2.750 . 3.700 2.750 2.631 2.852 . 0 0 "[ . 1 . 2]" 1
1030 1 35 LEU QB 1 37 ASP H 3.570 . 5.340 4.770 4.543 4.955 . 0 0 "[ . 1 . 2]" 1
1031 1 35 LEU QB 1 72 ILE MD 3.010 . 4.220 2.639 2.162 3.813 . 0 0 "[ . 1 . 2]" 1
1032 1 35 LEU QD 1 36 ASP H 2.905 . 4.010 3.848 3.578 4.198 0.188 19 0 "[ . 1 . 2]" 1
1033 1 35 LEU QD 1 38 MET HB2 2.930 . 4.060 2.503 1.950 2.910 . 0 0 "[ . 1 . 2]" 1
1034 1 35 LEU QD 1 38 MET HB3 2.890 . 3.980 3.502 3.080 3.849 . 0 0 "[ . 1 . 2]" 1
1035 1 35 LEU QD 1 38 MET HG3 2.855 . 3.910 3.349 2.465 3.750 . 0 0 "[ . 1 . 2]" 1
1036 1 35 LEU QD 1 38 MET ME 3.620 . 5.440 3.275 2.861 3.819 . 0 0 "[ . 1 . 2]" 1
1037 1 35 LEU QD 1 39 PHE H 3.295 . 4.790 3.444 2.790 4.505 . 0 0 "[ . 1 . 2]" 1
1038 1 35 LEU QD 1 63 LEU HB3 3.340 . 4.880 2.742 1.980 3.298 . 0 0 "[ . 1 . 2]" 1
1039 1 35 LEU QD 1 63 LEU MD1 3.120 . 4.440 2.983 2.543 3.402 . 0 0 "[ . 1 . 2]" 1
1040 1 35 LEU QD 1 63 LEU MD2 2.880 . 3.960 1.878 1.784 2.024 0.016 19 0 "[ . 1 . 2]" 1
1041 1 35 LEU QD 1 66 TYR H 3.620 . 5.440 4.877 4.540 5.341 . 0 0 "[ . 1 . 2]" 1
1042 1 35 LEU QD 1 66 TYR QB 2.845 . 3.890 3.096 2.663 3.564 . 0 0 "[ . 1 . 2]" 1
1043 1 35 LEU QD 1 67 TYR HA 3.035 . 4.270 4.006 3.254 4.327 0.057 12 0 "[ . 1 . 2]" 1
1044 1 35 LEU QD 1 70 ALA MB 3.170 . 4.540 4.224 3.329 4.603 0.063 7 0 "[ . 1 . 2]" 1
1045 1 35 LEU QD 1 72 ILE MD 2.965 . 4.130 2.632 2.055 3.234 . 0 0 "[ . 1 . 2]" 1
1046 1 36 ASP HA 1 39 PHE QB 2.935 . 4.070 2.929 2.405 3.499 . 0 0 "[ . 1 . 2]" 1
1047 1 37 ASP HA 1 40 GLU QG 3.230 . 4.660 3.166 2.274 4.617 . 0 0 "[ . 1 . 2]" 1
1048 1 37 ASP HA 1 42 GLU QB 3.440 . 5.080 3.971 2.920 4.732 . 0 0 "[ . 1 . 2]" 1
1049 1 37 ASP QB 1 42 GLU H 3.570 . 5.340 4.579 3.787 5.328 . 0 0 "[ . 1 . 2]" 1
1050 1 37 ASP QB 1 42 GLU QB 2.840 . 3.880 3.133 1.794 3.960 0.080 11 0 "[ . 1 . 2]" 1
1051 1 38 MET H 1 39 PHE QB 3.570 . 5.340 4.351 4.172 4.495 . 0 0 "[ . 1 . 2]" 1
1052 1 38 MET HA 1 42 GLU QB 3.285 . 4.770 4.264 3.745 4.816 0.046 15 0 "[ . 1 . 2]" 1
1053 1 38 MET ME 1 43 LYS QD 3.570 . 5.340 5.116 4.539 5.389 0.049 4 0 "[ . 1 . 2]" 1
1054 1 39 PHE QB 1 40 GLU H 2.745 . 3.690 2.868 2.697 3.095 . 0 0 "[ . 1 . 2]" 1
1055 1 39 PHE QB 1 63 LEU MD1 3.095 . 4.390 3.275 2.659 3.800 . 0 0 "[ . 1 . 2]" 1
1056 1 40 GLU H 1 40 GLU QG 2.855 . 3.910 2.837 2.258 3.960 0.050 13 0 "[ . 1 . 2]" 1
1057 1 40 GLU H 1 42 GLU QB 3.570 . 5.340 4.839 4.491 5.192 . 0 0 "[ . 1 . 2]" 1
1058 1 40 GLU HA 1 40 GLU QG 2.660 . 3.520 2.632 2.274 2.858 . 0 0 "[ . 1 . 2]" 1
1059 1 41 GLY QA 1 42 GLU HA 3.125 . 4.450 4.021 3.981 4.073 . 0 0 "[ . 1 . 2]" 1
1060 1 42 GLU H 1 42 GLU QB 2.385 . 2.970 2.353 2.126 2.505 . 0 0 "[ . 1 . 2]" 1
1061 1 42 GLU HA 1 42 GLU QG 2.760 . 3.720 2.664 2.343 3.005 . 0 0 "[ . 1 . 2]" 1
1062 1 42 GLU HA 1 43 LYS QE 3.385 . 4.970 4.662 3.785 5.135 0.165 9 0 "[ . 1 . 2]" 1
1063 1 42 GLU QB 1 43 LYS H 3.005 . 4.210 3.681 3.127 4.008 . 0 0 "[ . 1 . 2]" 1
1064 1 42 GLU QG 1 43 LYS H 3.195 . 4.590 3.286 2.101 4.762 0.172 18 0 "[ . 1 . 2]" 1
1065 1 43 LYS H 1 43 LYS QG 2.685 . 3.570 2.585 1.722 3.304 0.078 18 0 "[ . 1 . 2]" 1
1066 1 43 LYS H 1 43 LYS QD 3.100 . 4.400 2.400 1.681 4.300 0.119 15 0 "[ . 1 . 2]" 1
1067 1 43 LYS HA 1 43 LYS QG 2.645 . 3.490 3.433 3.266 3.544 0.054 6 0 "[ . 1 . 2]" 1
1068 1 43 LYS HA 1 43 LYS QD 2.985 . 4.170 3.764 3.501 4.229 0.059 17 0 "[ . 1 . 2]" 1
1069 1 43 LYS HA 1 43 LYS QE 3.505 . 5.210 5.302 5.017 5.465 0.255 11 0 "[ . 1 . 2]" 1
1070 1 43 LYS HB2 1 43 LYS QD 2.595 . 3.390 2.952 2.214 3.338 . 0 0 "[ . 1 . 2]" 1
1071 1 43 LYS HB2 1 43 LYS QE 3.270 . 4.740 4.221 3.875 4.508 . 0 0 "[ . 1 . 2]" 1
1072 1 43 LYS QD 1 43 LYS QG 2.080 . 2.360 2.083 2.067 2.093 . 0 0 "[ . 1 . 2]" 1
1073 1 43 LYS QE 1 43 LYS QG 2.485 . 3.170 2.180 2.076 2.372 . 0 0 "[ . 1 . 2]" 1
1074 1 43 LYS QG 1 44 VAL H 3.290 . 4.780 4.450 4.298 4.815 0.035 14 0 "[ . 1 . 2]" 1
1075 1 43 LYS QG 1 56 VAL H 3.020 . 4.240 2.912 1.896 4.363 0.123 12 0 "[ . 1 . 2]" 1
1076 1 43 LYS QD 1 44 VAL H 3.570 . 5.340 4.985 4.481 5.588 0.248 9 0 "[ . 1 . 2]" 1
1077 1 43 LYS QD 1 58 PHE H 3.570 . 5.340 4.445 3.186 5.364 0.024 15 0 "[ . 1 . 2]" 1
1078 1 44 VAL HB 1 55 ASP QB 3.570 . 5.340 4.422 4.158 4.770 . 0 0 "[ . 1 . 2]" 1
1079 1 47 CYS H 1 52 LEU QB 3.345 . 4.890 3.719 3.318 4.084 . 0 0 "[ . 1 . 2]" 1
1080 1 49 SER H 1 49 SER QB 2.525 . 3.250 3.254 3.144 3.449 0.199 4 0 "[ . 1 . 2]" 1
1081 1 49 SER H 1 51 SER QB 3.280 . 4.760 4.356 3.945 4.845 0.085 6 0 "[ . 1 . 2]" 1
1082 1 49 SER QB 1 50 CYS H 2.680 . 3.560 2.373 2.247 2.487 . 0 0 "[ . 1 . 2]" 1
1083 1 50 CYS H 1 50 CYS QB 2.660 . 3.520 2.639 2.524 2.702 . 0 0 "[ . 1 . 2]" 1
1084 1 50 CYS H 1 51 SER QB 3.395 . 4.990 4.617 4.433 4.983 . 0 0 "[ . 1 . 2]" 1
1085 1 50 CYS QB 1 51 SER H 2.975 . 4.150 3.557 3.472 3.686 . 0 0 "[ . 1 . 2]" 1
1086 1 51 SER H 1 51 SER QB 2.600 . 3.400 3.108 2.990 3.412 0.012 19 0 "[ . 1 . 2]" 1
1087 1 51 SER H 1 52 LEU QB 3.270 . 4.740 4.287 4.146 4.441 . 0 0 "[ . 1 . 2]" 1
1088 1 52 LEU H 1 52 LEU QB 2.340 . 2.880 2.430 2.216 2.613 . 0 0 "[ . 1 . 2]" 1
1089 1 52 LEU H 1 52 LEU QD 3.085 . 4.370 3.868 3.483 3.992 . 0 0 "[ . 1 . 2]" 1
1090 1 52 LEU HA 1 52 LEU QD 2.640 . 3.480 2.221 1.925 2.671 . 0 0 "[ . 1 . 2]" 1
1091 1 52 LEU QB 1 53 MET H 3.005 . 4.210 3.437 2.513 3.706 . 0 0 "[ . 1 . 2]" 1
1092 1 52 LEU QB 1 53 MET ME 3.570 . 5.340 5.367 4.852 5.437 0.097 2 0 "[ . 1 . 2]" 1
1093 1 52 LEU QB 1 54 ILE MG 3.410 . 5.020 3.951 3.401 4.236 . 0 0 "[ . 1 . 2]" 1
1094 1 52 LEU QD 1 53 MET HA 3.220 . 4.640 3.960 3.447 4.776 0.136 7 0 "[ . 1 . 2]" 1
1095 1 52 LEU QD 1 53 MET QB 3.540 . 5.280 3.894 3.708 4.223 . 0 0 "[ . 1 . 2]" 1
1096 1 52 LEU QD 1 53 MET ME 3.285 . 4.770 4.114 3.502 4.489 . 0 0 "[ . 1 . 2]" 1
1097 1 53 MET H 1 53 MET QB 2.640 . 3.480 2.614 2.489 2.724 . 0 0 "[ . 1 . 2]" 1
1098 1 53 MET QB 1 53 MET ME 2.510 . 3.220 1.896 1.852 1.967 . 0 0 "[ . 1 . 2]" 1
1099 1 53 MET QB 1 54 ILE H 2.955 . 4.110 2.979 2.917 3.039 . 0 0 "[ . 1 . 2]" 1
1100 1 54 ILE MD 1 55 ASP QB 3.570 . 5.340 5.268 4.574 5.464 0.124 19 0 "[ . 1 . 2]" 1
1101 1 55 ASP H 1 55 ASP QB 2.595 . 3.390 2.259 2.091 2.443 . 0 0 "[ . 1 . 2]" 1
1102 1 55 ASP QB 1 56 VAL H 2.665 . 3.530 2.927 2.449 3.541 0.011 12 0 "[ . 1 . 2]" 1
1103 1 58 PHE QB 1 59 ASP H 2.935 . 4.070 2.492 2.406 2.658 . 0 0 "[ . 1 . 2]" 1
1104 1 59 ASP H 1 62 ASP QB 3.000 . 4.200 2.445 1.981 3.861 . 0 0 "[ . 1 . 2]" 1
1105 1 59 ASP HA 1 60 LYS QD 3.570 . 5.340 4.191 2.849 5.480 0.140 17 0 "[ . 1 . 2]" 1
1106 1 60 LYS H 1 60 LYS QG 2.930 . 4.060 2.551 1.731 3.459 0.069 3 0 "[ . 1 . 2]" 1
1107 1 60 LYS HA 1 60 LYS QG 2.655 . 3.510 2.477 2.316 2.681 . 0 0 "[ . 1 . 2]" 1
1108 1 60 LYS HA 1 60 LYS QD 3.025 . 4.250 3.663 2.579 4.265 0.015 3 0 "[ . 1 . 2]" 1
1109 1 60 LYS HA 1 60 LYS QE 3.185 . 4.570 4.368 3.863 4.599 0.029 4 0 "[ . 1 . 2]" 1
1110 1 60 LYS HB2 1 60 LYS QD 2.570 . 3.340 2.432 2.219 2.821 . 0 0 "[ . 1 . 2]" 1
1111 1 60 LYS HB2 1 60 LYS QE 2.995 . 4.190 3.354 1.789 4.209 0.019 10 0 "[ . 1 . 2]" 1
1112 1 60 LYS HB3 1 60 LYS QD 2.685 . 3.570 2.933 2.400 3.480 . 0 0 "[ . 1 . 2]" 1
1113 1 60 LYS HB3 1 60 LYS QE 3.255 . 4.710 3.844 2.933 4.502 . 0 0 "[ . 1 . 2]" 1
1114 1 60 LYS QE 1 60 LYS QG 2.480 . 3.160 2.305 2.111 2.851 . 0 0 "[ . 1 . 2]" 1
1115 1 60 LYS QG 1 61 GLU H 3.355 . 4.910 4.196 3.593 4.672 . 0 0 "[ . 1 . 2]" 1
1116 1 60 LYS QG 1 63 LEU MD1 3.390 . 4.980 3.947 2.946 4.674 . 0 0 "[ . 1 . 2]" 1
1117 1 60 LYS QG 1 78 ILE MD 2.915 . 4.030 3.469 2.878 4.045 0.015 4 0 "[ . 1 . 2]" 1
1118 1 60 LYS QD 1 61 GLU H 3.385 . 4.970 4.215 2.826 4.942 . 0 0 "[ . 1 . 2]" 1
1119 1 61 GLU H 1 61 GLU QB 2.380 . 2.960 2.459 2.284 2.728 . 0 0 "[ . 1 . 2]" 1
1120 1 61 GLU H 1 61 GLU QG 2.535 . 3.270 2.232 1.807 2.643 . 0 0 "[ . 1 . 2]" 1
1121 1 61 GLU H 1 62 ASP QB 3.395 . 4.990 4.464 4.062 4.987 . 0 0 "[ . 1 . 2]" 1
1122 1 61 GLU QB 1 62 ASP H 2.890 . 3.980 2.759 2.221 3.445 . 0 0 "[ . 1 . 2]" 1
1123 1 61 GLU QB 1 78 ILE MD 3.455 . 5.110 4.370 2.516 5.225 0.115 20 0 "[ . 1 . 2]" 1
1124 1 61 GLU QG 1 62 ASP H 3.310 . 4.820 3.694 2.098 4.336 . 0 0 "[ . 1 . 2]" 1
1125 1 61 GLU QG 1 78 ILE MD 3.570 . 5.340 3.618 2.121 5.374 0.034 9 0 "[ . 1 . 2]" 1
1126 1 62 ASP H 1 62 ASP QB 2.425 . 3.050 2.341 2.151 2.731 . 0 0 "[ . 1 . 2]" 1
1127 1 62 ASP QB 1 63 LEU H 2.835 . 3.870 2.646 2.423 3.524 . 0 0 "[ . 1 . 2]" 1
1128 1 63 LEU HA 1 66 TYR QB 3.505 . 5.210 2.849 2.670 3.142 . 0 0 "[ . 1 . 2]" 1
1129 1 64 ALA HA 1 67 TYR QB 2.915 . 4.030 2.499 2.171 2.793 . 0 0 "[ . 1 . 2]" 1
1130 1 65 GLU HA 1 68 GLU QB 2.600 . 3.400 3.284 2.966 3.476 0.076 13 0 "[ . 1 . 2]" 1
1131 1 66 TYR H 1 66 TYR QB 2.505 . 3.210 2.278 2.207 2.410 . 0 0 "[ . 1 . 2]" 1
1132 1 66 TYR H 1 67 TYR QB 3.220 . 4.640 4.306 4.177 4.533 . 0 0 "[ . 1 . 2]" 1
1133 1 66 TYR H 1 68 GLU QB 3.570 . 5.340 5.251 4.915 5.386 0.046 4 0 "[ . 1 . 2]" 1
1134 1 66 TYR HA 1 69 GLU QG 3.185 . 4.570 3.185 2.443 4.281 . 0 0 "[ . 1 . 2]" 1
1135 1 67 TYR H 1 68 GLU QB 3.340 . 4.880 4.693 4.459 4.909 0.029 10 0 "[ . 1 . 2]" 1
1136 1 67 TYR QB 1 68 GLU H 2.580 . 3.360 2.660 2.457 3.024 . 0 0 "[ . 1 . 2]" 1
1137 1 67 TYR QB 1 72 ILE HG12 3.570 . 5.340 5.224 4.513 5.483 0.143 17 0 "[ . 1 . 2]" 1
1138 1 68 GLU H 1 68 GLU QB 2.295 . 2.790 2.309 2.178 2.493 . 0 0 "[ . 1 . 2]" 1
1139 1 68 GLU H 1 68 GLU QG 3.235 . 4.670 3.166 2.049 4.023 . 0 0 "[ . 1 . 2]" 1
1140 1 68 GLU HA 1 68 GLU QG 2.765 . 3.730 2.492 2.344 2.944 . 0 0 "[ . 1 . 2]" 1
1141 1 68 GLU QB 1 69 GLU H 2.420 . 3.040 2.623 2.278 2.936 . 0 0 "[ . 1 . 2]" 1
1142 1 69 GLU H 1 69 GLU QG 2.770 . 3.740 2.616 2.148 3.964 0.224 3 0 "[ . 1 . 2]" 1
1143 1 69 GLU HA 1 69 GLU QG 2.655 . 3.510 2.670 2.256 2.987 . 0 0 "[ . 1 . 2]" 1
1144 1 70 ALA MB 1 71 GLY QA 3.105 . 4.410 3.983 3.921 4.061 . 0 0 "[ . 1 . 2]" 1
1145 1 71 GLY QA 1 72 ILE H 2.455 . 3.110 2.625 2.483 2.795 . 0 0 "[ . 1 . 2]" 1
1146 1 72 ILE MG 1 73 HIS QB 3.085 . 4.370 3.194 2.681 4.295 . 0 0 "[ . 1 . 2]" 1
1147 1 73 HIS HA 1 74 PRO QG 3.205 . 4.610 3.838 3.713 3.994 . 0 0 "[ . 1 . 2]" 1
1148 1 73 HIS HA 1 74 PRO QD 2.625 . 3.450 1.935 1.795 2.105 0.005 8 0 "[ . 1 . 2]" 1
1149 1 73 HIS QB 1 74 PRO QD 2.740 . 3.680 2.849 1.925 3.590 . 0 0 "[ . 1 . 2]" 1
1150 1 74 PRO HA 1 75 PRO QD 2.545 . 3.290 1.882 1.775 1.967 0.025 14 0 "[ . 1 . 2]" 1
1151 1 74 PRO QB 1 75 PRO QD 2.660 . 3.520 3.148 2.736 3.486 . 0 0 "[ . 1 . 2]" 1
1152 1 77 PRO QB 1 78 ILE H 2.395 . 2.990 3.065 2.971 3.185 0.195 11 0 "[ . 1 . 2]" 1
1153 1 77 PRO QG 1 78 ILE H 3.250 . 4.700 4.596 4.477 4.735 0.035 11 0 "[ . 1 . 2]" 1
1154 1 78 ILE H 1 78 ILE QG 2.420 . 3.040 2.008 1.773 2.272 0.027 19 0 "[ . 1 . 2]" 1
1155 1 78 ILE QG 1 80 ALA MB 2.610 . 3.420 2.810 2.269 3.489 0.069 19 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 27
_Distance_constraint_stats_list.Viol_count 105
_Distance_constraint_stats_list.Viol_total 69.679
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0332
_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 5 ASP 0.042 0.028 1 0 "[ . 1 . 2]"
1 7 ILE 0.179 0.046 12 0 "[ . 1 . 2]"
1 13 THR 0.085 0.028 3 0 "[ . 1 . 2]"
1 15 GLU 0.103 0.044 13 0 "[ . 1 . 2]"
1 20 MET 0.103 0.044 13 0 "[ . 1 . 2]"
1 21 PHE 0.018 0.018 6 0 "[ . 1 . 2]"
1 22 THR 0.085 0.028 3 0 "[ . 1 . 2]"
1 23 TYR 0.006 0.006 2 0 "[ . 1 . 2]"
1 31 PHE 0.006 0.006 2 0 "[ . 1 . 2]"
1 32 GLN 0.001 0.001 5 0 "[ . 1 . 2]"
1 33 ILE 0.018 0.018 6 0 "[ . 1 . 2]"
1 34 TYR 0.105 0.067 19 0 "[ . 1 . 2]"
1 35 LEU 0.028 0.028 13 0 "[ . 1 . 2]"
1 38 MET 0.105 0.067 19 0 "[ . 1 . 2]"
1 39 PHE 0.028 0.028 13 0 "[ . 1 . 2]"
1 43 LYS 1.282 0.135 11 0 "[ . 1 . 2]"
1 45 ALA 0.017 0.017 1 0 "[ . 1 . 2]"
1 46 VAL 0.001 0.001 5 0 "[ . 1 . 2]"
1 47 CYS 0.589 0.085 18 0 "[ . 1 . 2]"
1 52 LEU 0.589 0.085 18 0 "[ . 1 . 2]"
1 54 ILE 0.017 0.017 1 0 "[ . 1 . 2]"
1 55 ASP 0.042 0.028 1 0 "[ . 1 . 2]"
1 56 VAL 1.282 0.135 11 0 "[ . 1 . 2]"
1 57 VAL 0.179 0.046 12 0 "[ . 1 . 2]"
1 59 ASP 0.021 0.021 7 0 "[ . 1 . 2]"
1 60 LYS 0.073 0.046 4 0 "[ . 1 . 2]"
1 61 GLU 0.030 0.030 5 0 "[ . 1 . 2]"
1 62 ASP 0.005 0.005 8 0 "[ . 1 . 2]"
1 63 LEU 0.055 0.029 5 0 "[ . 1 . 2]"
1 64 ALA 0.791 0.123 4 0 "[ . 1 . 2]"
1 65 GLU 0.100 0.043 14 0 "[ . 1 . 2]"
1 66 TYR 0.082 0.021 1 0 "[ . 1 . 2]"
1 67 TYR 0.034 0.029 5 0 "[ . 1 . 2]"
1 68 GLU 0.718 0.123 4 0 "[ . 1 . 2]"
1 69 GLU 0.070 0.043 14 0 "[ . 1 . 2]"
1 70 ALA 0.077 0.021 1 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 5 ASP O 1 55 ASP N 3.000 2.700 3.300 2.775 2.672 2.897 0.028 1 0 "[ . 1 . 2]" 2
2 1 7 ILE N 1 55 ASP O 3.000 2.700 3.300 3.012 2.836 3.299 . 0 0 "[ . 1 . 2]" 2
3 1 7 ILE O 1 57 VAL N 3.000 2.700 3.300 2.706 2.654 2.775 0.046 12 0 "[ . 1 . 2]" 2
4 1 47 CYS O 1 52 LEU N 3.000 2.700 3.300 3.318 3.243 3.385 0.085 18 0 "[ . 1 . 2]" 2
5 1 47 CYS N 1 52 LEU O 3.000 2.700 3.300 2.776 2.690 2.896 0.010 16 0 "[ . 1 . 2]" 2
6 1 45 ALA O 1 54 ILE N 3.000 2.700 3.300 3.040 2.870 3.165 . 0 0 "[ . 1 . 2]" 2
7 1 45 ALA N 1 54 ILE O 3.000 2.700 3.300 2.784 2.683 2.873 0.017 1 0 "[ . 1 . 2]" 2
8 1 43 LYS O 1 56 VAL N 3.000 2.700 3.300 3.364 3.300 3.435 0.135 11 0 "[ . 1 . 2]" 2
9 1 32 GLN N 1 46 VAL O 3.000 2.700 3.300 2.841 2.717 3.301 0.001 5 0 "[ . 1 . 2]" 2
10 1 32 GLN O 1 46 VAL N 3.000 2.700 3.300 3.034 2.895 3.191 . 0 0 "[ . 1 . 2]" 2
11 1 23 TYR O 1 31 PHE N 3.000 2.700 3.300 2.917 2.769 3.069 . 0 0 "[ . 1 . 2]" 2
12 1 23 TYR N 1 31 PHE O 3.000 2.700 3.300 2.942 2.694 3.239 0.006 2 0 "[ . 1 . 2]" 2
13 1 21 PHE O 1 33 ILE N 3.000 2.700 3.300 3.056 2.805 3.318 0.018 6 0 "[ . 1 . 2]" 2
14 1 15 GLU O 1 20 MET N 3.000 2.700 3.300 3.184 3.059 3.344 0.044 13 0 "[ . 1 . 2]" 2
15 1 15 GLU N 1 20 MET O 3.000 2.700 3.300 2.782 2.689 3.060 0.011 12 0 "[ . 1 . 2]" 2
16 1 13 THR O 1 22 THR N 3.000 2.700 3.300 2.741 2.672 2.905 0.028 3 0 "[ . 1 . 2]" 2
17 1 13 THR N 1 22 THR O 3.000 2.700 3.300 2.856 2.704 3.170 . 0 0 "[ . 1 . 2]" 2
18 1 34 TYR O 1 38 MET N 3.000 2.700 3.300 3.201 2.938 3.367 0.067 19 0 "[ . 1 . 2]" 2
19 1 35 LEU O 1 39 PHE N 3.000 2.700 3.300 2.848 2.672 3.093 0.028 13 0 "[ . 1 . 2]" 2
20 1 59 ASP O 1 63 LEU N 3.000 2.700 3.300 2.993 2.737 3.321 0.021 7 0 "[ . 1 . 2]" 2
21 1 60 LYS O 1 64 ALA N 3.000 2.700 3.300 3.105 2.837 3.346 0.046 4 0 "[ . 1 . 2]" 2
22 1 61 GLU O 1 65 GLU N 3.000 2.700 3.300 3.007 2.756 3.330 0.030 5 0 "[ . 1 . 2]" 2
23 1 62 ASP O 1 66 TYR N 3.000 2.700 3.300 2.995 2.817 3.305 0.005 8 0 "[ . 1 . 2]" 2
24 1 63 LEU O 1 67 TYR N 3.000 2.700 3.300 2.777 2.671 2.922 0.029 5 0 "[ . 1 . 2]" 2
25 1 64 ALA O 1 68 GLU N 3.000 2.700 3.300 3.320 3.171 3.423 0.123 4 0 "[ . 1 . 2]" 2
26 1 65 GLU O 1 69 GLU N 3.000 2.700 3.300 3.063 2.797 3.343 0.043 14 0 "[ . 1 . 2]" 2
27 1 66 TYR O 1 70 ALA N 3.000 2.700 3.300 2.735 2.679 2.845 0.021 1 0 "[ . 1 . 2]" 2
stop_
save_
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