NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409112 |
1z9e   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z9e
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 1010
_Distance_constraint_stats_list.Viol_count 967
_Distance_constraint_stats_list.Viol_total 766.010
_Distance_constraint_stats_list.Viol_max 0.290
_Distance_constraint_stats_list.Viol_rms 0.0199
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0528
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 MET 0.168 0.016 3 0 "[ . 1 .]"
1 5 ASP 0.162 0.019 11 0 "[ . 1 .]"
1 6 SER 0.268 0.045 11 0 "[ . 1 .]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 8 LEU 2.810 0.195 9 0 "[ . 1 .]"
1 9 GLN 0.449 0.045 11 0 "[ . 1 .]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 12 HIS 1.259 0.060 12 0 "[ . 1 .]"
1 13 ALA 0.602 0.060 12 0 "[ . 1 .]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 15 ILE 0.011 0.008 13 0 "[ . 1 .]"
1 16 LYS 0.126 0.022 8 0 "[ . 1 .]"
1 17 ASN 0.230 0.041 10 0 "[ . 1 .]"
1 18 SER 0.005 0.005 14 0 "[ . 1 .]"
1 19 LEU 2.369 0.156 11 0 "[ . 1 .]"
1 20 LYS 0.308 0.043 11 0 "[ . 1 .]"
1 21 ILE 3.897 0.215 11 0 "[ . 1 .]"
1 22 ASP 4.072 0.215 11 0 "[ . 1 .]"
1 23 ASN 1.390 0.084 11 0 "[ . 1 .]"
1 24 LEU 4.323 0.290 11 0 "[ . 1 .]"
1 25 ASP 4.365 0.290 11 0 "[ . 1 .]"
1 26 VAL 0.117 0.040 11 0 "[ . 1 .]"
1 27 ASN 0.235 0.034 11 0 "[ . 1 .]"
1 28 ARG 0.001 0.001 5 0 "[ . 1 .]"
1 29 CYS 0.241 0.019 6 0 "[ . 1 .]"
1 30 ILE 1.664 0.073 13 0 "[ . 1 .]"
1 31 GLU 2.863 0.112 10 0 "[ . 1 .]"
1 32 ALA 1.934 0.112 10 0 "[ . 1 .]"
1 33 LEU 0.240 0.030 3 0 "[ . 1 .]"
1 34 ASP 0.994 0.068 10 0 "[ . 1 .]"
1 35 GLU 0.509 0.109 14 0 "[ . 1 .]"
1 36 LEU 0.273 0.030 8 0 "[ . 1 .]"
1 37 ALA 0.393 0.055 14 0 "[ . 1 .]"
1 38 SER 0.000 0.000 . 0 "[ . 1 .]"
1 39 LEU 0.218 0.037 10 0 "[ . 1 .]"
1 40 GLN 0.023 0.019 10 0 "[ . 1 .]"
1 41 VAL 0.023 0.019 10 0 "[ . 1 .]"
1 42 THR 0.000 0.000 . 0 "[ . 1 .]"
1 43 MET 0.147 0.027 3 0 "[ . 1 .]"
1 44 GLN 0.109 0.016 8 0 "[ . 1 .]"
1 45 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 46 ALA 0.147 0.027 3 0 "[ . 1 .]"
1 47 GLN 0.970 0.042 2 0 "[ . 1 .]"
1 48 LYS 0.431 0.062 14 0 "[ . 1 .]"
1 49 HIS 2.405 0.139 13 0 "[ . 1 .]"
1 50 THR 0.496 0.062 14 0 "[ . 1 .]"
1 51 GLU 0.061 0.026 14 0 "[ . 1 .]"
1 52 MET 0.000 0.000 . 0 "[ . 1 .]"
1 53 ILE 1.723 0.125 6 0 "[ . 1 .]"
1 54 THR 0.271 0.026 14 0 "[ . 1 .]"
1 55 THR 0.311 0.044 10 0 "[ . 1 .]"
1 56 LEU 0.996 0.069 14 0 "[ . 1 .]"
1 57 LYS 0.041 0.041 14 0 "[ . 1 .]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 59 ILE 0.746 0.048 3 0 "[ . 1 .]"
1 60 ARG 0.030 0.030 2 0 "[ . 1 .]"
1 61 ARG 0.259 0.031 14 0 "[ . 1 .]"
1 62 PHE 1.591 0.087 8 0 "[ . 1 .]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 64 VAL 3.717 0.180 6 0 "[ . 1 .]"
1 65 SER 2.709 0.180 6 0 "[ . 1 .]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 67 VAL 0.433 0.080 11 0 "[ . 1 .]"
1 68 ILE 0.083 0.025 10 0 "[ . 1 .]"
1 69 MET 0.208 0.077 14 0 "[ . 1 .]"
1 70 GLU 1.302 0.080 11 0 "[ . 1 .]"
1 71 LYS 0.048 0.025 11 0 "[ . 1 .]"
1 72 SER 0.077 0.025 10 0 "[ . 1 .]"
1 73 THR 2.630 0.201 14 0 "[ . 1 .]"
1 74 MET 1.384 0.087 14 0 "[ . 1 .]"
1 75 LEU 0.633 0.045 9 0 "[ . 1 .]"
1 76 TYR 0.093 0.019 11 0 "[ . 1 .]"
1 77 ASN 0.785 0.045 9 0 "[ . 1 .]"
1 78 LYS 0.924 0.071 12 0 "[ . 1 .]"
1 79 PHE 3.821 0.277 10 0 "[ . 1 .]"
1 80 LYS 0.021 0.007 5 0 "[ . 1 .]"
1 81 ASN 0.425 0.027 9 0 "[ . 1 .]"
1 82 MET 1.573 0.102 4 0 "[ . 1 .]"
1 83 PHE 5.560 0.215 2 0 "[ . 1 .]"
1 84 LEU 3.427 0.215 2 0 "[ . 1 .]"
1 85 VAL 1.132 0.189 9 0 "[ . 1 .]"
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 81 ASN HA 1 84 LEU HB3 0.000 . 4.070 2.512 2.407 2.687 . 0 0 "[ . 1 .]" 1
2 1 81 ASN HA 1 84 LEU HB2 0.000 . 4.070 2.899 2.410 3.390 . 0 0 "[ . 1 .]" 1
3 1 4 MET HA 1 4 MET HB3 0.000 . 3.020 3.031 3.014 3.036 0.016 3 0 "[ . 1 .]" 1
4 1 74 MET HA 1 77 ASN HB3 0.000 . 4.540 3.312 3.096 3.489 . 0 0 "[ . 1 .]" 1
5 1 74 MET HA 1 77 ASN HB2 0.000 . 4.540 3.887 3.651 4.103 . 0 0 "[ . 1 .]" 1
6 1 47 GLN HA 1 47 GLN HB2 0.000 . 3.020 2.840 2.828 2.852 . 0 0 "[ . 1 .]" 1
7 1 21 ILE HA 1 24 LEU QB 0.000 . 4.140 2.338 1.981 2.760 . 0 0 "[ . 1 .]" 1
8 1 9 GLN HA 1 12 HIS HB3 0.000 . 3.420 3.113 2.933 3.366 . 0 0 "[ . 1 .]" 1
9 1 26 VAL HA 1 29 CYS HB3 0.000 . 3.950 3.328 3.084 3.776 . 0 0 "[ . 1 .]" 1
10 1 52 MET HA 1 55 THR HB 0.000 . 3.170 2.899 2.668 2.994 . 0 0 "[ . 1 .]" 1
11 1 26 VAL HA 1 29 CYS HB2 0.000 . 3.950 3.710 3.119 3.966 0.016 9 0 "[ . 1 .]" 1
12 1 47 GLN HA 1 47 GLN HB3 0.000 . 3.020 2.888 2.878 2.898 . 0 0 "[ . 1 .]" 1
13 1 53 ILE HA 1 53 ILE HB 0.000 . 2.900 3.015 3.002 3.025 0.125 6 0 "[ . 1 .]" 1
14 1 8 LEU HA 1 11 ILE HB 0.000 . 3.080 2.690 2.552 2.841 . 0 0 "[ . 1 .]" 1
15 1 5 ASP HA 1 8 LEU HB2 0.000 . 4.420 2.857 2.782 2.915 . 0 0 "[ . 1 .]" 1
16 1 9 GLN HA 1 12 HIS HB2 0.000 . 3.420 3.056 2.925 3.219 . 0 0 "[ . 1 .]" 1
17 1 30 ILE HA 1 33 LEU HB2 0.000 . 3.890 2.662 2.567 2.712 . 0 0 "[ . 1 .]" 1
18 1 73 THR HA 1 76 TYR QB 0.000 . 4.550 1.981 1.967 2.051 . 0 0 "[ . 1 .]" 1
19 1 5 ASP HA 1 8 LEU HB3 0.000 . 4.420 4.419 4.302 4.437 0.017 10 0 "[ . 1 .]" 1
20 1 9 GLN HA 1 49 HIS HE1 0.000 . 5.000 2.776 2.521 3.027 . 0 0 "[ . 1 .]" 1
21 1 9 GLN HB3 1 49 HIS HE1 0.000 . 5.500 4.098 3.642 4.438 . 0 0 "[ . 1 .]" 1
22 1 8 LEU HB3 1 49 HIS HE1 0.000 . 5.410 3.481 3.080 3.709 . 0 0 "[ . 1 .]" 1
23 1 8 LEU HB2 1 49 HIS HE1 0.000 . 5.410 3.108 2.841 3.366 . 0 0 "[ . 1 .]" 1
24 1 12 HIS HE1 1 51 GLU HA 0.000 . 5.500 4.775 4.245 4.961 . 0 0 "[ . 1 .]" 1
25 1 12 HIS HE1 1 52 MET HA 0.000 . 5.100 3.179 2.819 3.426 . 0 0 "[ . 1 .]" 1
26 1 12 HIS HE1 1 16 LYS HG3 0.000 . 5.500 4.959 4.635 5.374 . 0 0 "[ . 1 .]" 1
27 1 62 PHE QE 1 64 VAL HB 0.000 . 7.620 4.097 4.017 4.183 . 0 0 "[ . 1 .]" 1
28 1 62 PHE HZ 1 64 VAL HB 0.000 . 4.760 4.827 4.812 4.847 0.087 8 0 "[ . 1 .]" 1
29 1 76 TYR HA 1 79 PHE QD 0.000 . 7.620 3.493 2.400 4.062 . 0 0 "[ . 1 .]" 1
30 1 47 GLN HA 1 83 PHE QE 0.000 . 7.620 2.334 2.040 2.854 . 0 0 "[ . 1 .]" 1
31 1 57 LYS HA 1 76 TYR QD 0.000 . 6.550 4.351 3.382 4.557 . 0 0 "[ . 1 .]" 1
32 1 41 VAL HB 1 79 PHE HZ 0.000 . 4.260 3.376 2.972 3.706 . 0 0 "[ . 1 .]" 1
33 1 47 GLN HA 1 83 PHE HZ 0.000 . 3.890 2.861 2.593 3.036 . 0 0 "[ . 1 .]" 1
34 1 12 HIS HD2 1 52 MET HA 0.000 . 4.380 4.037 3.550 4.286 . 0 0 "[ . 1 .]" 1
35 1 12 HIS HD2 1 16 LYS HG3 0.000 . 5.500 2.238 2.005 3.142 . 0 0 "[ . 1 .]" 1
36 1 57 LYS HA 1 76 TYR QE 0.000 . 6.860 4.058 3.609 4.367 . 0 0 "[ . 1 .]" 1
37 1 57 LYS QE 1 76 TYR QE 0.000 . 8.510 3.077 1.852 4.084 . 0 0 "[ . 1 .]" 1
38 1 81 ASN HA 1 84 LEU HG 0.000 . 4.850 4.797 3.843 4.877 0.027 9 0 "[ . 1 .]" 1
39 1 9 GLN HA 1 9 GLN HG3 0.000 . 3.730 2.510 1.970 3.539 . 0 0 "[ . 1 .]" 1
40 1 69 MET HA 1 69 MET HG3 0.000 . 3.580 3.152 2.499 3.340 . 0 0 "[ . 1 .]" 1
41 1 21 ILE HA 1 21 ILE HG12 0.000 . 4.010 2.328 2.301 2.354 . 0 0 "[ . 1 .]" 1
42 1 8 LEU HA 1 8 LEU HG 0.000 . 3.210 3.018 2.866 3.157 . 0 0 "[ . 1 .]" 1
43 1 30 ILE HA 1 33 LEU HG 0.000 . 3.670 1.956 1.933 1.989 . 0 0 "[ . 1 .]" 1
44 1 57 LYS HA 1 57 LYS HG3 0.000 . 3.730 2.856 2.379 3.668 . 0 0 "[ . 1 .]" 1
45 1 57 LYS HA 1 57 LYS HG2 0.000 . 3.730 2.492 2.243 3.771 0.041 14 0 "[ . 1 .]" 1
46 1 9 GLN HG3 1 49 HIS HE1 0.000 . 3.890 2.560 2.305 3.712 . 0 0 "[ . 1 .]" 1
47 1 47 GLN HA 1 47 GLN HG3 0.000 . 3.140 3.071 3.012 3.127 . 0 0 "[ . 1 .]" 1
48 1 16 LYS HA 1 16 LYS HG2 0.000 . 3.580 2.284 2.053 2.610 . 0 0 "[ . 1 .]" 1
49 1 79 PHE HA 1 83 PHE QD 0.000 . 7.620 3.260 2.858 3.976 . 0 0 "[ . 1 .]" 1
50 1 78 LYS QE 1 79 PHE QE 0.000 . 8.500 4.009 3.114 5.008 . 0 0 "[ . 1 .]" 1
51 1 78 LYS QE 1 79 PHE HZ 0.000 . 6.380 5.569 5.237 5.740 . 0 0 "[ . 1 .]" 1
52 1 62 PHE QD 1 64 VAL HB 0.000 . 7.620 4.176 4.088 4.292 . 0 0 "[ . 1 .]" 1
53 1 5 ASP QB 1 49 HIS HD2 0.000 . 6.380 4.631 4.058 5.273 . 0 0 "[ . 1 .]" 1
54 1 79 PHE QE 1 83 PHE QD 0.000 . 9.460 5.415 4.644 6.026 . 0 0 "[ . 1 .]" 1
55 1 76 TYR QE 1 80 LYS QG 0.000 . 8.510 3.262 2.558 4.173 . 0 0 "[ . 1 .]" 1
56 1 46 ALA HA 1 83 PHE HZ 0.000 . 5.500 3.837 3.763 3.990 . 0 0 "[ . 1 .]" 1
57 1 12 HIS HD2 1 16 LYS HG2 0.000 . 5.500 3.075 2.350 3.764 . 0 0 "[ . 1 .]" 1
58 1 46 ALA HA 1 49 HIS HD2 0.000 . 4.480 2.464 2.278 2.792 . 0 0 "[ . 1 .]" 1
59 1 48 LYS QB 1 49 HIS HE1 0.000 . 6.380 5.680 5.595 5.747 . 0 0 "[ . 1 .]" 1
60 1 9 GLN HB2 1 49 HIS HE1 0.000 . 5.500 2.625 2.132 3.041 . 0 0 "[ . 1 .]" 1
61 1 73 THR HA 1 76 TYR QD 0.000 . 7.640 2.595 2.367 2.816 . 0 0 "[ . 1 .]" 1
62 1 8 LEU HA 1 49 HIS HE1 0.000 . 5.500 5.131 4.944 5.259 . 0 0 "[ . 1 .]" 1
63 1 54 THR HA 1 76 TYR QE 0.000 . 7.630 5.666 5.330 6.119 . 0 0 "[ . 1 .]" 1
64 1 62 PHE QE 1 68 ILE HB 0.000 . 7.620 2.789 2.485 3.059 . 0 0 "[ . 1 .]" 1
65 1 47 GLN HG2 1 83 PHE HZ 0.000 . 5.500 4.322 3.980 4.572 . 0 0 "[ . 1 .]" 1
66 1 47 GLN HG2 1 83 PHE QE 0.000 . 7.620 3.078 2.163 4.025 . 0 0 "[ . 1 .]" 1
67 1 12 HIS HE1 1 16 LYS HG2 0.000 . 5.500 5.502 5.453 5.522 0.022 8 0 "[ . 1 .]" 1
68 1 24 LEU HG 1 25 ASP HA 0.000 . 5.500 5.470 4.033 5.596 0.096 2 0 "[ . 1 .]" 1
69 1 47 GLN HG3 1 83 PHE HZ 0.000 . 5.500 4.870 4.460 5.237 . 0 0 "[ . 1 .]" 1
70 1 47 GLN HG3 1 83 PHE QE 0.000 . 7.620 4.145 3.051 5.147 . 0 0 "[ . 1 .]" 1
71 1 12 HIS HE1 1 52 MET QB 0.000 . 6.380 4.163 3.776 4.358 . 0 0 "[ . 1 .]" 1
72 1 12 HIS HE1 1 51 GLU QB 0.000 . 4.300 3.037 2.005 3.534 . 0 0 "[ . 1 .]" 1
73 1 4 MET HG2 1 8 LEU HG 0.000 . 5.500 4.552 4.140 4.983 . 0 0 "[ . 1 .]" 1
74 1 79 PHE QE 1 83 PHE QE 0.000 . 8.570 4.009 3.058 4.963 . 0 0 "[ . 1 .]" 1
75 1 12 HIS HE1 1 55 THR HB 0.000 . 5.500 4.931 4.431 5.488 . 0 0 "[ . 1 .]" 1
76 1 78 LYS QE 1 79 PHE QD 0.000 . 8.500 3.998 3.185 5.131 . 0 0 "[ . 1 .]" 1
77 1 80 LYS QG 1 81 ASN HA 0.000 . 6.380 4.319 3.786 5.193 . 0 0 "[ . 1 .]" 1
78 1 4 MET HG3 1 8 LEU HG 0.000 . 5.500 3.359 2.820 3.836 . 0 0 "[ . 1 .]" 1
79 1 5 ASP HA 1 49 HIS HD2 0.000 . 5.500 3.307 2.992 3.950 . 0 0 "[ . 1 .]" 1
80 1 19 LEU HA 1 62 PHE QE 0.000 . 7.620 3.332 3.098 3.659 . 0 0 "[ . 1 .]" 1
81 1 19 LEU HA 1 62 PHE HZ 0.000 . 5.500 3.775 3.353 4.507 . 0 0 "[ . 1 .]" 1
82 1 12 HIS HE1 1 54 THR HB 0.000 . 5.500 5.505 5.361 5.526 0.026 10 0 "[ . 1 .]" 1
83 1 50 THR HA 1 83 PHE HZ 0.000 . 5.500 5.353 4.887 5.518 0.018 6 0 "[ . 1 .]" 1
84 1 8 LEU MD1 1 49 HIS HE1 0.000 . 6.530 4.364 4.149 4.549 . 0 0 "[ . 1 .]" 1
85 1 62 PHE QD 1 68 ILE MD 0.000 . 8.650 3.610 3.143 4.583 . 0 0 "[ . 1 .]" 1
86 1 62 PHE QD 1 64 VAL MG2 0.000 . 8.650 4.894 4.851 4.975 . 0 0 "[ . 1 .]" 1
87 1 62 PHE QE 1 68 ILE MD 0.000 . 8.650 2.207 1.821 3.804 . 0 0 "[ . 1 .]" 1
88 1 26 VAL MG2 1 62 PHE QE 0.000 . 8.650 3.987 3.363 4.416 . 0 0 "[ . 1 .]" 1
89 1 26 VAL MG1 1 62 PHE QE 0.000 . 8.650 4.283 4.024 4.782 . 0 0 "[ . 1 .]" 1
90 1 26 VAL MG1 1 62 PHE HZ 0.000 . 6.400 5.127 5.057 5.225 . 0 0 "[ . 1 .]" 1
91 1 62 PHE QE 1 64 VAL MG1 0.000 . 8.650 2.380 2.339 2.431 . 0 0 "[ . 1 .]" 1
92 1 19 LEU MD2 1 62 PHE QE 0.000 . 8.650 2.721 2.496 3.532 . 0 0 "[ . 1 .]" 1
93 1 56 LEU MD1 1 79 PHE QD 0.000 . 7.470 3.635 2.661 4.149 . 0 0 "[ . 1 .]" 1
94 1 46 ALA MB 1 83 PHE QE 0.000 . 7.530 2.250 2.075 2.428 . 0 0 "[ . 1 .]" 1
95 1 53 ILE MD 1 83 PHE QE 0.000 . 7.840 2.505 1.952 3.005 . 0 0 "[ . 1 .]" 1
96 1 53 ILE MG 1 76 TYR QD 0.000 . 6.900 3.031 2.676 3.419 . 0 0 "[ . 1 .]" 1
97 1 56 LEU MD1 1 76 TYR QD 0.000 . 8.420 3.522 3.054 4.021 . 0 0 "[ . 1 .]" 1
98 1 41 VAL MG2 1 79 PHE HZ 0.000 . 4.570 3.426 2.851 3.697 . 0 0 "[ . 1 .]" 1
99 1 75 LEU MD2 1 79 PHE HZ 0.000 . 5.720 4.231 3.634 4.621 . 0 0 "[ . 1 .]" 1
100 1 36 LEU MD1 1 79 PHE HZ 0.000 . 4.610 2.625 2.230 3.058 . 0 0 "[ . 1 .]" 1
101 1 41 VAL MG2 1 79 PHE QE 0.000 . 7.690 4.149 3.581 4.371 . 0 0 "[ . 1 .]" 1
102 1 79 PHE QE 1 82 MET ME 0.000 . 8.030 3.752 3.086 4.340 . 0 0 "[ . 1 .]" 1
103 1 36 LEU MD1 1 79 PHE QE 0.000 . 7.530 3.260 2.969 3.685 . 0 0 "[ . 1 .]" 1
104 1 41 VAL MG1 1 79 PHE QE 0.000 . 7.160 3.148 1.935 3.826 . 0 0 "[ . 1 .]" 1
105 1 75 LEU MD2 1 79 PHE QE 0.000 . 7.500 2.915 2.318 3.670 . 0 0 "[ . 1 .]" 1
106 1 46 ALA MB 1 83 PHE HZ 0.000 . 4.110 1.950 1.868 2.187 . 0 0 "[ . 1 .]" 1
107 1 53 ILE MD 1 83 PHE HZ 0.000 . 4.820 3.059 2.667 3.411 . 0 0 "[ . 1 .]" 1
108 1 12 HIS HD2 1 15 ILE MD 0.000 . 5.410 4.078 3.854 4.297 . 0 0 "[ . 1 .]" 1
109 1 41 VAL MG1 1 42 THR HA 0.000 . 5.810 3.695 3.616 3.794 . 0 0 "[ . 1 .]" 1
110 1 81 ASN HA 1 84 LEU MD1 0.000 . 5.850 4.252 2.952 4.882 . 0 0 "[ . 1 .]" 1
111 1 19 LEU HA 1 24 LEU MD1 0.000 . 4.640 3.320 2.104 3.751 . 0 0 "[ . 1 .]" 1
112 1 59 ILE HA 1 59 ILE MG 0.000 . 3.520 2.335 2.239 2.401 . 0 0 "[ . 1 .]" 1
113 1 19 LEU MD1 1 59 ILE HA 0.000 . 5.260 3.217 1.816 3.458 . 0 0 "[ . 1 .]" 1
114 1 46 ALA MB 1 47 GLN HA 0.000 . 6.190 3.955 3.882 4.003 . 0 0 "[ . 1 .]" 1
115 1 47 GLN HA 1 50 THR MG 0.000 . 4.510 3.220 2.838 3.479 . 0 0 "[ . 1 .]" 1
116 1 56 LEU HA 1 56 LEU MD2 0.000 . 3.580 2.037 1.999 2.066 . 0 0 "[ . 1 .]" 1
117 1 33 LEU HA 1 33 LEU MD2 0.000 . 3.550 2.033 1.973 2.094 . 0 0 "[ . 1 .]" 1
118 1 29 CYS HA 1 32 ALA MB 0.000 . 4.510 2.377 2.186 2.519 . 0 0 "[ . 1 .]" 1
119 1 29 CYS HA 1 33 LEU MD2 0.000 . 5.040 3.751 3.541 3.862 . 0 0 "[ . 1 .]" 1
120 1 8 LEU HA 1 8 LEU MD2 0.000 . 3.770 1.932 1.891 1.990 . 0 0 "[ . 1 .]" 1
121 1 33 LEU MD1 1 68 ILE HA 0.000 . 3.950 2.613 2.377 2.882 . 0 0 "[ . 1 .]" 1
122 1 7 ARG QD 1 39 LEU QD 0.000 . 7.050 2.395 1.774 3.561 . 0 0 "[ . 1 .]" 1
123 1 29 CYS HB2 1 68 ILE MD 0.000 . 5.540 3.789 2.864 4.210 . 0 0 "[ . 1 .]" 1
124 1 78 LYS QE 1 82 MET ME 0.000 . 6.630 3.354 1.896 4.732 . 0 0 "[ . 1 .]" 1
125 1 53 ILE HB 1 53 ILE MD 0.000 . 3.430 2.416 2.309 2.533 . 0 0 "[ . 1 .]" 1
126 1 19 LEU MD1 1 59 ILE HB 0.000 . 4.200 3.570 3.469 3.612 . 0 0 "[ . 1 .]" 1
127 1 49 HIS HB3 1 52 MET ME 0.000 . 5.910 2.688 1.981 3.464 . 0 0 "[ . 1 .]" 1
128 1 49 HIS HB2 1 52 MET ME 0.000 . 5.910 3.807 3.238 4.518 . 0 0 "[ . 1 .]" 1
129 1 52 MET ME 1 53 ILE MD 0.000 . 7.560 4.312 3.843 5.110 . 0 0 "[ . 1 .]" 1
130 1 11 ILE HA 1 32 ALA MB 0.000 . 5.540 2.144 1.955 2.487 . 0 0 "[ . 1 .]" 1
131 1 15 ILE HA 1 32 ALA MB 0.000 . 5.440 3.995 3.648 4.289 . 0 0 "[ . 1 .]" 1
132 1 46 ALA MB 1 53 ILE MD 0.000 . 7.560 3.097 2.776 3.319 . 0 0 "[ . 1 .]" 1
133 1 19 LEU MD1 1 55 THR MG 0.000 . 7.560 3.867 3.639 4.195 . 0 0 "[ . 1 .]" 1
134 1 26 VAL HA 1 68 ILE MD 0.000 . 4.510 2.417 2.145 2.776 . 0 0 "[ . 1 .]" 1
135 1 24 LEU HA 1 24 LEU MD1 0.000 . 4.450 1.923 1.725 3.284 . 0 0 "[ . 1 .]" 1
136 1 21 ILE HA 1 24 LEU MD1 0.000 . 5.070 3.552 1.859 4.090 . 0 0 "[ . 1 .]" 1
137 1 8 LEU MD1 1 36 LEU MD1 0.000 . 7.560 3.582 3.489 3.679 . 0 0 "[ . 1 .]" 1
138 1 8 LEU MD1 1 41 VAL MG1 0.000 . 6.870 1.777 1.680 1.889 . 0 0 "[ . 1 .]" 1
139 1 8 LEU MD2 1 41 VAL MG1 0.000 . 6.530 3.007 2.814 3.191 . 0 0 "[ . 1 .]" 1
140 1 21 ILE HA 1 24 LEU MD2 0.000 . 4.480 2.188 1.921 3.252 . 0 0 "[ . 1 .]" 1
141 1 19 LEU MD2 1 24 LEU MD2 0.000 . 6.690 4.426 4.258 4.566 . 0 0 "[ . 1 .]" 1
142 1 68 ILE HA 1 68 ILE MG 0.000 . 3.640 2.612 2.392 2.726 . 0 0 "[ . 1 .]" 1
143 1 53 ILE HA 1 56 LEU MD1 0.000 . 4.020 2.457 2.049 2.870 . 0 0 "[ . 1 .]" 1
144 1 53 ILE MD 1 79 PHE HB3 0.000 . 5.160 2.595 2.472 2.776 . 0 0 "[ . 1 .]" 1
145 1 19 LEU MD1 1 59 ILE MD 0.000 . 5.570 1.861 1.678 3.290 . 0 0 "[ . 1 .]" 1
146 1 19 LEU MD1 1 59 ILE MG 0.000 . 5.600 1.759 1.678 1.912 . 0 0 "[ . 1 .]" 1
147 1 8 LEU MD2 1 39 LEU MD1 0.000 . 5.570 2.085 1.990 2.619 . 0 0 "[ . 1 .]" 1
148 1 8 LEU MD2 1 41 VAL MG2 0.000 . 6.280 2.133 1.865 2.470 . 0 0 "[ . 1 .]" 1
149 1 19 LEU MD2 1 26 VAL HA 0.000 . 6.430 4.276 4.017 4.773 . 0 0 "[ . 1 .]" 1
150 1 19 LEU MD2 1 59 ILE MG 0.000 . 6.560 2.760 2.225 2.978 . 0 0 "[ . 1 .]" 1
151 1 19 LEU MD2 1 59 ILE MD 0.000 . 7.280 3.660 3.396 4.019 . 0 0 "[ . 1 .]" 1
152 1 19 LEU MD2 1 24 LEU MD1 0.000 . 6.530 3.575 2.662 3.791 . 0 0 "[ . 1 .]" 1
153 1 19 LEU MD2 1 68 ILE MG 0.000 . 7.490 2.248 1.906 2.667 . 0 0 "[ . 1 .]" 1
154 1 8 LEU MD1 1 41 VAL MG2 0.000 . 7.430 2.172 1.916 2.438 . 0 0 "[ . 1 .]" 1
155 1 8 LEU MD1 1 39 LEU MD1 0.000 . 7.560 4.040 3.750 4.508 . 0 0 "[ . 1 .]" 1
156 1 8 LEU MD2 1 49 HIS HE1 0.000 . 6.530 5.296 5.049 5.425 . 0 0 "[ . 1 .]" 1
157 1 19 LEU MD2 1 62 PHE QD 0.000 . 8.650 2.994 2.577 3.454 . 0 0 "[ . 1 .]" 1
158 1 19 LEU MD1 1 62 PHE QD 0.000 . 8.650 3.581 2.882 3.881 . 0 0 "[ . 1 .]" 1
159 1 19 LEU MD1 1 62 PHE QE 0.000 . 8.650 4.275 4.070 4.505 . 0 0 "[ . 1 .]" 1
160 1 8 LEU MD2 1 79 PHE HZ 0.000 . 6.530 2.645 2.335 2.978 . 0 0 "[ . 1 .]" 1
161 1 8 LEU MD2 1 79 PHE QE 0.000 . 8.650 3.448 3.094 3.797 . 0 0 "[ . 1 .]" 1
162 1 50 THR MG 1 83 PHE QE 0.000 . 8.650 3.096 2.362 4.309 . 0 0 "[ . 1 .]" 1
163 1 8 LEU MD1 1 79 PHE HZ 0.000 . 6.530 3.446 3.156 3.790 . 0 0 "[ . 1 .]" 1
164 1 8 LEU MD1 1 83 PHE HZ 0.000 . 6.530 5.477 5.453 5.503 . 0 0 "[ . 1 .]" 1
165 1 41 VAL MG1 1 79 PHE HZ 0.000 . 4.670 3.393 2.903 3.663 . 0 0 "[ . 1 .]" 1
166 1 30 ILE HA 1 33 LEU MD2 0.000 . 4.640 3.641 3.607 3.709 . 0 0 "[ . 1 .]" 1
167 1 53 ILE MD 1 83 PHE QD 0.000 . 8.650 2.789 2.326 3.247 . 0 0 "[ . 1 .]" 1
168 1 62 PHE HZ 1 68 ILE MD 0.000 . 6.530 3.403 2.790 5.155 . 0 0 "[ . 1 .]" 1
169 1 62 PHE HZ 1 64 VAL MG1 0.000 . 4.950 2.332 2.320 2.350 . 0 0 "[ . 1 .]" 1
170 1 19 LEU MD1 1 62 PHE HZ 0.000 . 6.530 5.173 4.908 5.387 . 0 0 "[ . 1 .]" 1
171 1 62 PHE HZ 1 64 VAL MG2 0.000 . 5.880 4.266 4.195 4.302 . 0 0 "[ . 1 .]" 1
172 1 19 LEU MD1 1 68 ILE MD 0.000 . 7.560 4.258 3.696 5.062 . 0 0 "[ . 1 .]" 1
173 1 24 LEU MD1 1 62 PHE QD 0.000 . 8.650 5.459 4.485 6.088 . 0 0 "[ . 1 .]" 1
174 1 24 LEU MD1 1 62 PHE HZ 0.000 . 5.230 3.112 1.949 4.070 . 0 0 "[ . 1 .]" 1
175 1 62 PHE QE 1 68 ILE MG 0.000 . 8.650 2.331 1.910 2.646 . 0 0 "[ . 1 .]" 1
176 1 24 LEU MD2 1 62 PHE QE 0.000 . 8.370 3.498 2.221 4.492 . 0 0 "[ . 1 .]" 1
177 1 24 LEU MD2 1 62 PHE HZ 0.000 . 5.570 3.284 2.258 3.702 . 0 0 "[ . 1 .]" 1
178 1 62 PHE HZ 1 68 ILE MG 0.000 . 5.350 4.100 3.512 4.230 . 0 0 "[ . 1 .]" 1
179 1 8 LEU MD2 1 49 HIS HD2 0.000 . 6.530 4.614 4.406 4.921 . 0 0 "[ . 1 .]" 1
180 1 36 LEU MD2 1 79 PHE HZ 0.000 . 4.640 3.718 3.592 3.794 . 0 0 "[ . 1 .]" 1
181 1 53 ILE MD 1 76 TYR QD 0.000 . 8.670 4.600 4.265 5.080 . 0 0 "[ . 1 .]" 1
182 1 19 LEU MD2 1 26 VAL MG2 0.000 . 7.560 4.147 3.809 4.733 . 0 0 "[ . 1 .]" 1
183 1 26 VAL MG2 1 62 PHE HZ 0.000 . 6.400 3.820 3.451 3.964 . 0 0 "[ . 1 .]" 1
184 1 62 PHE HB3 1 64 VAL MG1 0.000 . 5.810 4.380 4.253 4.435 . 0 0 "[ . 1 .]" 1
185 1 46 ALA MB 1 83 PHE QD 0.000 . 8.650 4.170 3.992 4.285 . 0 0 "[ . 1 .]" 1
186 1 53 ILE MD 1 79 PHE QD 0.000 . 8.060 2.360 1.912 3.348 . 0 0 "[ . 1 .]" 1
187 1 8 LEU MD1 1 49 HIS HB2 0.000 . 6.530 3.146 2.873 3.392 . 0 0 "[ . 1 .]" 1
188 1 4 MET HG3 1 8 LEU MD1 0.000 . 5.380 3.269 2.622 4.077 . 0 0 "[ . 1 .]" 1
189 1 4 MET ME 1 8 LEU MD1 0.000 . 7.560 4.615 3.829 5.084 . 0 0 "[ . 1 .]" 1
190 1 33 LEU MD2 1 68 ILE HA 0.000 . 6.060 4.184 3.767 4.542 . 0 0 "[ . 1 .]" 1
191 1 29 CYS HB3 1 68 ILE MD 0.000 . 5.540 3.207 2.176 3.718 . 0 0 "[ . 1 .]" 1
192 1 19 LEU MD2 1 29 CYS HB2 0.000 . 6.280 3.825 3.491 4.207 . 0 0 "[ . 1 .]" 1
193 1 24 LEU HA 1 24 LEU MD2 0.000 . 4.700 2.856 2.468 3.719 . 0 0 "[ . 1 .]" 1
194 1 19 LEU MD2 1 26 VAL MG1 0.000 . 7.560 4.638 4.220 5.194 . 0 0 "[ . 1 .]" 1
195 1 68 ILE HA 1 68 ILE MD 0.000 . 4.540 3.382 1.934 3.753 . 0 0 "[ . 1 .]" 1
196 1 52 MET ME 1 79 PHE QE 0.000 . 8.650 3.027 2.451 4.661 . 0 0 "[ . 1 .]" 1
197 1 52 MET ME 1 79 PHE HZ 0.000 . 5.570 3.491 2.689 4.485 . 0 0 "[ . 1 .]" 1
198 1 52 MET ME 1 79 PHE QD 0.000 . 8.650 4.199 3.580 5.800 . 0 0 "[ . 1 .]" 1
199 1 36 LEU MD2 1 79 PHE QD 0.000 . 8.150 4.164 3.514 4.698 . 0 0 "[ . 1 .]" 1
200 1 12 HIS HD2 1 55 THR MG 0.000 . 4.510 2.096 1.958 2.365 . 0 0 "[ . 1 .]" 1
201 1 12 HIS HE1 1 55 THR MG 0.000 . 6.530 3.907 3.651 4.471 . 0 0 "[ . 1 .]" 1
202 1 81 ASN HA 1 84 LEU MD2 0.000 . 5.850 3.477 2.981 4.294 . 0 0 "[ . 1 .]" 1
203 1 8 LEU MD1 1 49 HIS HB3 0.000 . 6.530 3.377 3.197 3.779 . 0 0 "[ . 1 .]" 1
204 1 55 THR MG 1 59 ILE MD 0.000 . 7.000 2.678 2.205 3.067 . 0 0 "[ . 1 .]" 1
205 1 79 PHE HZ 1 82 MET ME 0.000 . 6.530 4.733 4.011 5.130 . 0 0 "[ . 1 .]" 1
206 1 82 MET ME 1 83 PHE QD 0.000 . 8.650 3.763 3.017 4.520 . 0 0 "[ . 1 .]" 1
207 1 82 MET ME 1 83 PHE QE 0.000 . 8.650 3.579 2.577 4.549 . 0 0 "[ . 1 .]" 1
208 1 65 SER HB3 1 68 ILE MD 0.000 . 5.230 3.087 2.593 4.394 . 0 0 "[ . 1 .]" 1
209 1 8 LEU HA 1 36 LEU QD 0.000 . 7.630 2.800 2.606 3.323 . 0 0 "[ . 1 .]" 1
210 1 26 VAL HB 1 68 ILE MD 0.000 . 5.440 4.004 3.731 4.296 . 0 0 "[ . 1 .]" 1
211 1 8 LEU MD1 1 46 ALA MB 0.000 . 7.560 2.886 2.538 3.043 . 0 0 "[ . 1 .]" 1
212 1 7 ARG H 1 8 LEU H 0.000 . 3.290 2.932 2.879 2.972 . 0 0 "[ . 1 .]" 1
213 1 8 LEU H 1 9 GLN H 0.000 . 2.990 2.711 2.657 2.750 . 0 0 "[ . 1 .]" 1
214 1 9 GLN H 1 10 ARG H 0.000 . 3.060 2.639 2.599 2.691 . 0 0 "[ . 1 .]" 1
215 1 10 ARG H 1 11 ILE H 0.000 . 3.160 2.745 2.717 2.789 . 0 0 "[ . 1 .]" 1
216 1 12 HIS H 1 13 ALA H 0.000 . 3.160 2.821 2.778 2.871 . 0 0 "[ . 1 .]" 1
217 1 13 ALA H 1 14 GLU H 0.000 . 3.060 2.788 2.754 2.829 . 0 0 "[ . 1 .]" 1
218 1 16 LYS H 1 17 ASN H 0.000 . 3.120 2.486 2.427 2.622 . 0 0 "[ . 1 .]" 1
219 1 17 ASN H 1 18 SER H 0.000 . 3.160 2.314 2.233 2.386 . 0 0 "[ . 1 .]" 1
220 1 18 SER H 1 19 LEU H 0.000 . 3.060 2.452 2.416 2.592 . 0 0 "[ . 1 .]" 1
221 1 19 LEU H 1 20 LYS H 0.000 . 3.030 3.040 3.019 3.048 0.018 12 0 "[ . 1 .]" 1
222 1 21 ILE H 1 22 ASP H 0.000 . 3.450 2.859 2.790 2.995 . 0 0 "[ . 1 .]" 1
223 1 22 ASP H 1 23 ASN H 0.000 . 3.060 2.583 2.508 2.644 . 0 0 "[ . 1 .]" 1
224 1 24 LEU H 1 25 ASP H 0.000 . 3.980 4.196 4.142 4.270 0.290 11 0 "[ . 1 .]" 1
225 1 25 ASP H 1 26 VAL H 0.000 . 4.580 3.738 3.626 3.886 . 0 0 "[ . 1 .]" 1
226 1 27 ASN H 1 28 ARG H 0.000 . 3.030 2.880 2.709 2.958 . 0 0 "[ . 1 .]" 1
227 1 29 CYS H 1 30 ILE H 0.000 . 3.320 2.901 2.869 2.937 . 0 0 "[ . 1 .]" 1
228 1 31 GLU H 1 32 ALA H 0.000 . 3.120 2.667 2.639 2.709 . 0 0 "[ . 1 .]" 1
229 1 30 ILE H 1 31 GLU H 0.000 . 2.960 3.016 3.001 3.033 0.073 13 0 "[ . 1 .]" 1
230 1 32 ALA H 1 33 LEU H 0.000 . 2.990 2.505 2.479 2.568 . 0 0 "[ . 1 .]" 1
231 1 33 LEU H 1 34 ASP H 0.000 . 3.160 2.615 2.556 2.667 . 0 0 "[ . 1 .]" 1
232 1 34 ASP H 1 35 GLU H 0.000 . 3.220 2.565 2.435 2.717 . 0 0 "[ . 1 .]" 1
233 1 36 LEU H 1 37 ALA H 0.000 . 3.290 2.332 2.256 2.406 . 0 0 "[ . 1 .]" 1
234 1 35 GLU H 1 36 LEU H 0.000 . 3.160 2.634 2.608 2.669 . 0 0 "[ . 1 .]" 1
235 1 37 ALA H 1 38 SER H 0.000 . 3.320 2.679 2.591 2.754 . 0 0 "[ . 1 .]" 1
236 1 38 SER H 1 39 LEU H 0.000 . 2.930 2.399 2.263 2.650 . 0 0 "[ . 1 .]" 1
237 1 41 VAL H 1 42 THR H 0.000 . 4.710 4.541 4.462 4.629 . 0 0 "[ . 1 .]" 1
238 1 44 GLN H 1 45 GLN H 0.000 . 3.290 2.684 2.407 2.953 . 0 0 "[ . 1 .]" 1
239 1 45 GLN H 1 46 ALA H 0.000 . 3.030 2.417 2.230 2.544 . 0 0 "[ . 1 .]" 1
240 1 46 ALA H 1 47 GLN H 0.000 . 3.260 2.403 2.353 2.488 . 0 0 "[ . 1 .]" 1
241 1 47 GLN H 1 48 LYS H 0.000 . 3.390 2.808 2.741 2.874 . 0 0 "[ . 1 .]" 1
242 1 48 LYS H 1 49 HIS H 0.000 . 3.090 2.391 2.344 2.460 . 0 0 "[ . 1 .]" 1
243 1 52 MET H 1 53 ILE H 0.000 . 3.360 2.675 2.624 2.725 . 0 0 "[ . 1 .]" 1
244 1 53 ILE H 1 54 THR H 0.000 . 3.220 2.750 2.721 2.773 . 0 0 "[ . 1 .]" 1
245 1 54 THR H 1 55 THR H 0.000 . 3.220 2.557 2.520 2.604 . 0 0 "[ . 1 .]" 1
246 1 55 THR H 1 56 LEU H 0.000 . 3.360 2.781 2.658 2.904 . 0 0 "[ . 1 .]" 1
247 1 57 LYS H 1 58 LYS H 0.000 . 3.220 2.612 2.530 2.697 . 0 0 "[ . 1 .]" 1
248 1 58 LYS H 1 59 ILE H 0.000 . 3.160 2.494 2.410 2.644 . 0 0 "[ . 1 .]" 1
249 1 59 ILE H 1 60 ARG H 0.000 . 3.420 2.674 2.640 2.741 . 0 0 "[ . 1 .]" 1
250 1 61 ARG H 1 62 PHE H 0.000 . 2.960 2.439 2.384 2.547 . 0 0 "[ . 1 .]" 1
251 1 64 VAL H 1 65 SER H 0.000 . 3.420 2.763 2.748 2.782 . 0 0 "[ . 1 .]" 1
252 1 68 ILE H 1 69 MET H 0.000 . 3.290 2.804 2.699 3.010 . 0 0 "[ . 1 .]" 1
253 1 69 MET H 1 70 GLU H 0.000 . 3.160 2.534 2.338 2.675 . 0 0 "[ . 1 .]" 1
254 1 70 GLU H 1 71 LYS H 0.000 . 3.290 2.961 2.637 3.097 . 0 0 "[ . 1 .]" 1
255 1 72 SER H 1 73 THR H 0.000 . 3.220 2.884 2.731 2.985 . 0 0 "[ . 1 .]" 1
256 1 73 THR H 1 74 MET H 0.000 . 3.160 2.564 2.438 2.632 . 0 0 "[ . 1 .]" 1
257 1 74 MET H 1 75 LEU H 0.000 . 3.160 2.793 2.749 2.816 . 0 0 "[ . 1 .]" 1
258 1 75 LEU H 1 76 TYR H 0.000 . 3.290 2.339 2.304 2.394 . 0 0 "[ . 1 .]" 1
259 1 77 ASN H 1 78 LYS H 0.000 . 3.090 2.658 2.557 2.724 . 0 0 "[ . 1 .]" 1
260 1 76 TYR H 1 77 ASN H 0.000 . 3.190 2.676 2.654 2.701 . 0 0 "[ . 1 .]" 1
261 1 78 LYS H 1 79 PHE H 0.000 . 2.890 2.564 2.516 2.620 . 0 0 "[ . 1 .]" 1
262 1 79 PHE H 1 80 LYS H 0.000 . 3.030 2.582 2.504 2.669 . 0 0 "[ . 1 .]" 1
263 1 80 LYS H 1 81 ASN H 0.000 . 3.160 2.955 2.826 3.147 . 0 0 "[ . 1 .]" 1
264 1 81 ASN H 1 82 MET H 0.000 . 3.160 2.920 2.817 3.075 . 0 0 "[ . 1 .]" 1
265 1 82 MET H 1 83 PHE H 0.000 . 2.930 2.535 2.373 2.639 . 0 0 "[ . 1 .]" 1
266 1 84 LEU H 1 85 VAL H 0.000 . 3.120 2.186 2.059 2.401 . 0 0 "[ . 1 .]" 1
267 1 14 GLU H 1 15 ILE H 0.000 . 3.120 2.594 2.510 2.680 . 0 0 "[ . 1 .]" 1
268 1 15 ILE H 1 16 LYS H 0.000 . 3.290 2.721 2.661 2.749 . 0 0 "[ . 1 .]" 1
269 1 49 HIS H 1 50 THR H 0.000 . 3.160 2.811 2.758 2.849 . 0 0 "[ . 1 .]" 1
270 1 32 ALA H 1 34 ASP H 0.000 . 5.070 4.048 3.950 4.163 . 0 0 "[ . 1 .]" 1
271 1 60 ARG H 1 61 ARG H 0.000 . 3.220 2.790 2.760 2.822 . 0 0 "[ . 1 .]" 1
272 1 63 LYS H 1 64 VAL H 0.000 . 5.500 2.631 2.607 2.667 . 0 0 "[ . 1 .]" 1
273 1 28 ARG H 1 29 CYS H 0.000 . 3.190 2.962 2.903 3.002 . 0 0 "[ . 1 .]" 1
274 1 20 LYS H 1 23 ASN H 0.000 . 4.640 4.346 4.237 4.471 . 0 0 "[ . 1 .]" 1
275 1 76 TYR H 1 78 LYS H 0.000 . 4.940 4.313 4.173 4.437 . 0 0 "[ . 1 .]" 1
276 1 74 MET H 1 76 TYR H 0.000 . 4.210 4.215 4.199 4.229 0.019 11 0 "[ . 1 .]" 1
277 1 81 ASN H 1 83 PHE H 0.000 . 4.510 4.069 3.970 4.177 . 0 0 "[ . 1 .]" 1
278 1 47 GLN H 1 49 HIS H 0.000 . 4.050 4.073 4.048 4.092 0.042 2 0 "[ . 1 .]" 1
279 1 17 ASN H 1 19 LEU H 0.000 . 4.440 3.960 3.856 4.051 . 0 0 "[ . 1 .]" 1
280 1 83 PHE H 1 84 LEU H 0.000 . 2.990 2.382 2.320 2.459 . 0 0 "[ . 1 .]" 1
281 1 62 PHE H 1 63 LYS H 0.000 . 5.500 3.727 3.632 3.754 . 0 0 "[ . 1 .]" 1
282 1 22 ASP H 1 24 LEU H 0.000 . 5.500 4.287 4.141 4.629 . 0 0 "[ . 1 .]" 1
283 1 20 LYS H 1 25 ASP H 0.000 . 5.300 3.890 3.719 4.539 . 0 0 "[ . 1 .]" 1
284 1 37 ALA H 1 39 LEU H 0.000 . 5.370 3.865 3.730 4.259 . 0 0 "[ . 1 .]" 1
285 1 8 LEU H 1 8 LEU HB3 0.000 . 3.290 3.469 3.442 3.485 0.195 9 0 "[ . 1 .]" 1
286 1 8 LEU H 1 8 LEU HB2 0.000 . 3.290 2.246 2.122 2.381 . 0 0 "[ . 1 .]" 1
287 1 9 GLN H 1 9 GLN HB3 0.000 . 3.190 3.022 2.926 3.103 . 0 0 "[ . 1 .]" 1
288 1 9 GLN H 1 9 GLN HB2 0.000 . 3.190 1.995 1.964 2.046 . 0 0 "[ . 1 .]" 1
289 1 8 LEU HB3 1 9 GLN H 0.000 . 3.850 3.470 3.314 3.662 . 0 0 "[ . 1 .]" 1
290 1 8 LEU HB2 1 9 GLN H 0.000 . 3.850 2.560 2.490 2.690 . 0 0 "[ . 1 .]" 1
291 1 10 ARG H 1 10 ARG HB2 0.000 . 2.990 2.190 2.012 2.379 . 0 0 "[ . 1 .]" 1
292 1 10 ARG H 1 10 ARG HB3 0.000 . 2.990 2.726 2.500 2.974 . 0 0 "[ . 1 .]" 1
293 1 9 GLN HB2 1 10 ARG H 0.000 . 3.590 3.320 3.244 3.391 . 0 0 "[ . 1 .]" 1
294 1 9 GLN HB3 1 10 ARG H 0.000 . 3.590 2.724 2.595 2.897 . 0 0 "[ . 1 .]" 1
295 1 8 LEU HA 1 11 ILE H 0.000 . 3.780 3.484 3.423 3.537 . 0 0 "[ . 1 .]" 1
296 1 11 ILE H 1 11 ILE HB 0.000 . 2.760 2.173 2.135 2.271 . 0 0 "[ . 1 .]" 1
297 1 12 HIS H 1 12 HIS HB3 0.000 . 3.090 2.722 2.659 2.776 . 0 0 "[ . 1 .]" 1
298 1 12 HIS H 1 12 HIS HB2 0.000 . 3.090 2.178 2.130 2.236 . 0 0 "[ . 1 .]" 1
299 1 12 HIS HA 1 13 ALA H 0.000 . 3.620 3.580 3.576 3.585 . 0 0 "[ . 1 .]" 1
300 1 10 ARG HA 1 13 ALA H 0.000 . 4.050 3.513 3.412 3.632 . 0 0 "[ . 1 .]" 1
301 1 12 HIS HB3 1 13 ALA H 0.000 . 3.420 2.205 2.090 2.312 . 0 0 "[ . 1 .]" 1
302 1 12 HIS HB2 1 13 ALA H 0.000 . 3.420 3.460 3.447 3.480 0.060 12 0 "[ . 1 .]" 1
303 1 11 ILE HA 1 14 GLU H 0.000 . 3.720 3.525 3.401 3.603 . 0 0 "[ . 1 .]" 1
304 1 15 ILE HB 1 16 LYS H 0.000 . 3.090 2.797 2.686 2.909 . 0 0 "[ . 1 .]" 1
305 1 17 ASN H 1 18 SER QB 0.000 . 5.220 4.257 3.839 4.560 . 0 0 "[ . 1 .]" 1
306 1 16 LYS HA 1 17 ASN H 0.000 . 3.520 3.503 3.471 3.522 0.002 11 0 "[ . 1 .]" 1
307 1 17 ASN H 1 17 ASN HB3 0.000 . 3.030 2.725 2.419 3.003 . 0 0 "[ . 1 .]" 1
308 1 16 LYS QB 1 17 ASN H 0.000 . 4.260 2.846 2.759 2.974 . 0 0 "[ . 1 .]" 1
309 1 17 ASN H 1 17 ASN HB2 0.000 . 3.030 2.319 2.091 2.638 . 0 0 "[ . 1 .]" 1
310 1 16 LYS HA 1 18 SER H 0.000 . 4.540 4.312 4.219 4.533 . 0 0 "[ . 1 .]" 1
311 1 15 ILE HA 1 18 SER H 0.000 . 4.610 3.375 3.196 3.508 . 0 0 "[ . 1 .]" 1
312 1 17 ASN HB3 1 18 SER H 0.000 . 4.050 2.987 2.667 3.184 . 0 0 "[ . 1 .]" 1
313 1 17 ASN HB2 1 18 SER H 0.000 . 4.050 3.763 3.516 4.055 0.005 14 0 "[ . 1 .]" 1
314 1 16 LYS HA 1 19 LEU H 0.000 . 4.350 3.834 3.679 4.116 . 0 0 "[ . 1 .]" 1
315 1 20 LYS H 1 20 LYS QB 0.000 . 3.740 2.467 2.336 2.615 . 0 0 "[ . 1 .]" 1
316 1 20 LYS HA 1 21 ILE H 0.000 . 2.530 2.232 2.210 2.264 . 0 0 "[ . 1 .]" 1
317 1 21 ILE H 1 21 ILE HB 0.000 . 2.990 2.468 2.436 2.543 . 0 0 "[ . 1 .]" 1
318 1 21 ILE HA 1 22 ASP H 0.000 . 3.260 3.466 3.461 3.475 0.215 11 0 "[ . 1 .]" 1
319 1 20 LYS QB 1 22 ASP H 0.000 . 4.990 3.491 3.093 3.899 . 0 0 "[ . 1 .]" 1
320 1 22 ASP HA 1 23 ASN H 0.000 . 3.390 3.455 3.450 3.461 0.071 12 0 "[ . 1 .]" 1
321 1 23 ASN H 1 24 LEU HA 0.000 . 4.380 3.991 3.949 4.233 . 0 0 "[ . 1 .]" 1
322 1 21 ILE HA 1 23 ASN H 0.000 . 4.150 3.603 3.533 3.733 . 0 0 "[ . 1 .]" 1
323 1 23 ASN H 1 23 ASN HB3 0.000 . 3.520 3.536 3.512 3.604 0.084 11 0 "[ . 1 .]" 1
324 1 23 ASN H 1 23 ASN HB2 0.000 . 3.520 2.673 2.625 2.746 . 0 0 "[ . 1 .]" 1
325 1 20 LYS QB 1 23 ASN H 0.000 . 5.120 2.848 2.724 3.244 . 0 0 "[ . 1 .]" 1
326 1 23 ASN H 1 24 LEU QB 0.000 . 5.390 3.964 3.524 4.081 . 0 0 "[ . 1 .]" 1
327 1 23 ASN HA 1 24 LEU H 0.000 . 2.860 2.814 2.636 2.867 0.007 2 0 "[ . 1 .]" 1
328 1 23 ASN HB3 1 24 LEU H 0.000 . 4.740 4.286 4.261 4.321 . 0 0 "[ . 1 .]" 1
329 1 24 LEU H 1 24 LEU QB 0.000 . 3.700 2.019 1.914 2.152 . 0 0 "[ . 1 .]" 1
330 1 23 ASN HB2 1 24 LEU H 0.000 . 4.740 4.339 4.272 4.486 . 0 0 "[ . 1 .]" 1
331 1 24 LEU HA 1 25 ASP H 0.000 . 2.500 2.255 2.109 2.337 . 0 0 "[ . 1 .]" 1
332 1 25 ASP H 1 25 ASP HB3 0.000 . 3.390 3.259 2.527 3.420 0.030 11 0 "[ . 1 .]" 1
333 1 25 ASP H 1 25 ASP HB2 0.000 . 3.390 2.377 2.175 2.801 . 0 0 "[ . 1 .]" 1
334 1 24 LEU QB 1 25 ASP H 0.000 . 4.560 3.943 3.861 3.993 . 0 0 "[ . 1 .]" 1
335 1 25 ASP HA 1 26 VAL H 0.000 . 2.560 2.395 2.362 2.422 . 0 0 "[ . 1 .]" 1
336 1 24 LEU QB 1 26 VAL H 0.000 . 5.450 4.608 4.202 4.717 . 0 0 "[ . 1 .]" 1
337 1 26 VAL H 1 26 VAL HB 0.000 . 3.030 2.511 2.462 2.604 . 0 0 "[ . 1 .]" 1
338 1 25 ASP HA 1 27 ASN H 0.000 . 3.720 3.654 3.574 3.731 0.011 13 0 "[ . 1 .]" 1
339 1 26 VAL HB 1 27 ASN H 0.000 . 3.320 2.525 2.458 2.657 . 0 0 "[ . 1 .]" 1
340 1 27 ASN QB 1 28 ARG H 0.000 . 4.360 2.808 2.445 3.370 . 0 0 "[ . 1 .]" 1
341 1 28 ARG H 1 28 ARG QB 0.000 . 3.770 2.040 1.943 2.251 . 0 0 "[ . 1 .]" 1
342 1 29 CYS H 1 29 CYS HB3 0.000 . 3.090 2.652 2.426 3.075 . 0 0 "[ . 1 .]" 1
343 1 29 CYS H 1 29 CYS HB2 0.000 . 3.090 2.272 1.974 2.450 . 0 0 "[ . 1 .]" 1
344 1 26 VAL HA 1 29 CYS H 0.000 . 3.980 3.596 3.515 3.753 . 0 0 "[ . 1 .]" 1
345 1 28 ARG QB 1 29 CYS H 0.000 . 4.460 2.216 2.087 2.335 . 0 0 "[ . 1 .]" 1
346 1 27 ASN HA 1 30 ILE H 0.000 . 3.750 3.761 3.728 3.784 0.034 11 0 "[ . 1 .]" 1
347 1 30 ILE H 1 30 ILE HB 0.000 . 2.630 2.331 2.053 2.421 . 0 0 "[ . 1 .]" 1
348 1 29 CYS HB3 1 30 ILE H 0.000 . 3.950 2.155 2.072 2.230 . 0 0 "[ . 1 .]" 1
349 1 29 CYS HB2 1 30 ILE H 0.000 . 3.950 3.455 3.037 3.662 . 0 0 "[ . 1 .]" 1
350 1 27 ASN HA 1 31 GLU H 0.000 . 4.580 3.577 3.468 3.734 . 0 0 "[ . 1 .]" 1
351 1 31 GLU H 1 31 GLU QB 0.000 . 3.900 2.034 1.959 2.199 . 0 0 "[ . 1 .]" 1
352 1 30 ILE HB 1 31 GLU H 0.000 . 3.090 2.347 2.258 2.686 . 0 0 "[ . 1 .]" 1
353 1 31 GLU HA 1 32 ALA H 0.000 . 3.420 3.515 3.505 3.532 0.112 10 0 "[ . 1 .]" 1
354 1 29 CYS HA 1 32 ALA H 0.000 . 3.820 3.367 3.334 3.413 . 0 0 "[ . 1 .]" 1
355 1 31 GLU QB 1 32 ALA H 0.000 . 4.100 2.644 2.579 2.710 . 0 0 "[ . 1 .]" 1
356 1 30 ILE HA 1 33 LEU H 0.000 . 3.750 3.132 3.113 3.158 . 0 0 "[ . 1 .]" 1
357 1 33 LEU H 1 33 LEU HB3 0.000 . 3.590 3.557 3.551 3.561 . 0 0 "[ . 1 .]" 1
358 1 33 LEU H 1 33 LEU HB2 0.000 . 3.590 2.576 2.549 2.606 . 0 0 "[ . 1 .]" 1
359 1 31 GLU HA 1 34 ASP H 0.000 . 3.450 3.490 3.448 3.518 0.068 10 0 "[ . 1 .]" 1
360 1 30 ILE HA 1 34 ASP H 0.000 . 4.350 4.315 4.245 4.340 . 0 0 "[ . 1 .]" 1
361 1 34 ASP H 1 34 ASP HB3 0.000 . 3.120 2.650 2.452 2.889 . 0 0 "[ . 1 .]" 1
362 1 34 ASP H 1 34 ASP HB2 0.000 . 3.120 2.304 2.096 2.505 . 0 0 "[ . 1 .]" 1
363 1 33 LEU HB3 1 34 ASP H 0.000 . 3.920 3.776 3.689 3.868 . 0 0 "[ . 1 .]" 1
364 1 33 LEU HB2 1 34 ASP H 0.000 . 3.920 2.552 2.458 2.643 . 0 0 "[ . 1 .]" 1
365 1 34 ASP HB3 1 35 GLU H 0.000 . 4.210 2.332 2.227 2.484 . 0 0 "[ . 1 .]" 1
366 1 35 GLU H 1 35 GLU QB 0.000 . 3.840 2.136 1.962 2.409 . 0 0 "[ . 1 .]" 1
367 1 34 ASP HB2 1 35 GLU H 0.000 . 4.210 3.522 3.304 3.671 . 0 0 "[ . 1 .]" 1
368 1 36 LEU H 1 36 LEU HB3 0.000 . 3.220 2.418 2.361 2.541 . 0 0 "[ . 1 .]" 1
369 1 35 GLU QB 1 36 LEU H 0.000 . 4.170 3.193 2.913 3.565 . 0 0 "[ . 1 .]" 1
370 1 36 LEU H 1 36 LEU HB2 0.000 . 3.220 2.570 2.464 2.697 . 0 0 "[ . 1 .]" 1
371 1 33 LEU HA 1 36 LEU H 0.000 . 3.780 3.776 3.708 3.805 0.025 4 0 "[ . 1 .]" 1
372 1 37 ALA H 1 37 ALA HA 0.000 . 2.930 2.868 2.848 2.900 . 0 0 "[ . 1 .]" 1
373 1 36 LEU HB3 1 37 ALA H 0.000 . 3.850 2.589 2.411 2.761 . 0 0 "[ . 1 .]" 1
374 1 36 LEU HB2 1 37 ALA H 0.000 . 3.850 3.834 3.756 3.880 0.030 8 0 "[ . 1 .]" 1
375 1 38 SER H 1 38 SER QB 0.000 . 3.900 2.265 2.005 2.610 . 0 0 "[ . 1 .]" 1
376 1 39 LEU H 1 39 LEU HB3 0.000 . 3.620 3.371 3.346 3.657 0.037 10 0 "[ . 1 .]" 1
377 1 39 LEU H 1 39 LEU HB2 0.000 . 3.620 2.022 1.981 2.550 . 0 0 "[ . 1 .]" 1
378 1 41 VAL H 1 41 VAL HB 0.000 . 2.790 2.472 2.355 2.631 . 0 0 "[ . 1 .]" 1
379 1 42 THR H 1 42 THR HB 0.000 . 3.720 3.195 3.102 3.279 . 0 0 "[ . 1 .]" 1
380 1 41 VAL HB 1 42 THR H 0.000 . 4.050 3.927 3.829 3.998 . 0 0 "[ . 1 .]" 1
381 1 43 MET H 1 44 GLN H 0.000 . 4.810 2.719 2.647 2.793 . 0 0 "[ . 1 .]" 1
382 1 44 GLN H 1 44 GLN QB 0.000 . 3.800 2.063 1.967 2.304 . 0 0 "[ . 1 .]" 1
383 1 44 GLN QB 1 45 GLN H 0.000 . 4.360 2.394 2.072 2.835 . 0 0 "[ . 1 .]" 1
384 1 47 GLN H 1 48 LYS QB 0.000 . 5.520 4.512 4.368 4.656 . 0 0 "[ . 1 .]" 1
385 1 44 GLN HA 1 47 GLN H 0.000 . 3.850 3.852 3.799 3.866 0.016 8 0 "[ . 1 .]" 1
386 1 47 GLN H 1 47 GLN HB2 0.000 . 3.190 1.949 1.945 1.953 . 0 0 "[ . 1 .]" 1
387 1 47 GLN H 1 47 GLN HB3 0.000 . 3.190 3.212 3.205 3.231 0.041 4 0 "[ . 1 .]" 1
388 1 46 ALA HA 1 48 LYS H 0.000 . 4.910 3.624 3.539 3.821 . 0 0 "[ . 1 .]" 1
389 1 47 GLN HB3 1 48 LYS H 0.000 . 4.350 3.111 2.976 3.176 . 0 0 "[ . 1 .]" 1
390 1 47 GLN HB2 1 48 LYS H 0.000 . 4.350 3.357 3.276 3.403 . 0 0 "[ . 1 .]" 1
391 1 49 HIS H 1 49 HIS HB2 0.000 . 3.290 2.072 2.052 2.091 . 0 0 "[ . 1 .]" 1
392 1 49 HIS H 1 49 HIS HB3 0.000 . 3.290 3.407 3.395 3.429 0.139 13 0 "[ . 1 .]" 1
393 1 48 LYS QB 1 49 HIS H 0.000 . 4.560 3.203 3.096 3.291 . 0 0 "[ . 1 .]" 1
394 1 47 GLN HA 1 49 HIS H 0.000 . 3.980 3.966 3.911 3.993 0.013 14 0 "[ . 1 .]" 1
395 1 46 ALA HA 1 49 HIS H 0.000 . 4.020 3.082 3.043 3.139 . 0 0 "[ . 1 .]" 1
396 1 48 LYS HA 1 50 THR H 0.000 . 3.420 3.449 3.432 3.482 0.062 14 0 "[ . 1 .]" 1
397 1 50 THR HA 1 53 ILE H 0.000 . 3.620 3.404 3.342 3.526 . 0 0 "[ . 1 .]" 1
398 1 53 ILE H 1 53 ILE HB 0.000 . 2.760 2.302 2.213 2.446 . 0 0 "[ . 1 .]" 1
399 1 52 MET QB 1 53 ILE H 0.000 . 4.200 2.311 2.267 2.340 . 0 0 "[ . 1 .]" 1
400 1 54 THR H 1 54 THR HB 0.000 . 2.990 2.441 2.386 2.505 . 0 0 "[ . 1 .]" 1
401 1 53 ILE HB 1 54 THR H 0.000 . 3.160 2.653 2.590 2.756 . 0 0 "[ . 1 .]" 1
402 1 55 THR H 1 55 THR HB 0.000 . 2.760 2.689 2.474 2.752 . 0 0 "[ . 1 .]" 1
403 1 52 MET HA 1 55 THR H 0.000 . 3.980 3.111 3.041 3.154 . 0 0 "[ . 1 .]" 1
404 1 55 THR HB 1 56 LEU H 0.000 . 3.390 2.246 2.071 2.361 . 0 0 "[ . 1 .]" 1
405 1 53 ILE HA 1 56 LEU H 0.000 . 3.620 3.397 3.243 3.549 . 0 0 "[ . 1 .]" 1
406 1 52 MET HA 1 56 LEU H 0.000 . 4.640 4.281 4.142 4.357 . 0 0 "[ . 1 .]" 1
407 1 56 LEU H 1 56 LEU HB3 0.000 . 3.450 3.516 3.511 3.519 0.069 14 0 "[ . 1 .]" 1
408 1 56 LEU H 1 56 LEU HB2 0.000 . 3.450 2.395 2.364 2.437 . 0 0 "[ . 1 .]" 1
409 1 53 ILE HA 1 57 LYS H 0.000 . 5.170 4.185 4.032 4.277 . 0 0 "[ . 1 .]" 1
410 1 56 LEU HB3 1 57 LYS H 0.000 . 3.820 3.488 3.363 3.537 . 0 0 "[ . 1 .]" 1
411 1 58 LYS H 1 58 LYS QB 0.000 . 3.700 2.046 1.945 2.238 . 0 0 "[ . 1 .]" 1
412 1 56 LEU HA 1 59 ILE H 0.000 . 3.550 3.398 3.259 3.563 0.013 14 0 "[ . 1 .]" 1
413 1 59 ILE H 1 59 ILE HB 0.000 . 2.860 2.393 2.322 2.526 . 0 0 "[ . 1 .]" 1
414 1 59 ILE HA 1 60 ARG H 0.000 . 3.620 3.417 3.406 3.476 . 0 0 "[ . 1 .]" 1
415 1 59 ILE HA 1 61 ARG H 0.000 . 3.490 3.501 3.488 3.521 0.031 14 0 "[ . 1 .]" 1
416 1 61 ARG H 1 61 ARG HB3 0.000 . 3.520 2.954 2.400 3.466 . 0 0 "[ . 1 .]" 1
417 1 61 ARG H 1 61 ARG HB2 0.000 . 3.520 2.277 1.989 3.547 0.027 5 0 "[ . 1 .]" 1
418 1 61 ARG H 1 62 PHE HA 0.000 . 5.040 5.015 4.942 5.056 0.016 6 0 "[ . 1 .]" 1
419 1 61 ARG HA 1 62 PHE H 0.000 . 3.520 3.409 3.267 3.447 . 0 0 "[ . 1 .]" 1
420 1 60 ARG HA 1 62 PHE H 0.000 . 4.510 3.848 3.647 3.933 . 0 0 "[ . 1 .]" 1
421 1 59 ILE HA 1 62 PHE H 0.000 . 3.450 3.200 3.130 3.453 0.003 11 0 "[ . 1 .]" 1
422 1 62 PHE H 1 62 PHE HB3 0.000 . 3.030 2.462 2.380 2.583 . 0 0 "[ . 1 .]" 1
423 1 62 PHE H 1 62 PHE HB2 0.000 . 3.030 2.392 2.280 2.540 . 0 0 "[ . 1 .]" 1
424 1 62 PHE HA 1 63 LYS H 0.000 . 3.120 2.598 2.585 2.629 . 0 0 "[ . 1 .]" 1
425 1 63 LYS HA 1 64 VAL H 0.000 . 3.420 3.342 3.313 3.407 . 0 0 "[ . 1 .]" 1
426 1 64 VAL H 1 64 VAL HB 0.000 . 3.030 2.088 2.066 2.104 . 0 0 "[ . 1 .]" 1
427 1 68 ILE H 1 68 ILE HB 0.000 . 3.060 2.118 2.022 2.343 . 0 0 "[ . 1 .]" 1
428 1 68 ILE HB 1 69 MET H 0.000 . 2.890 2.627 2.223 2.896 0.006 13 0 "[ . 1 .]" 1
429 1 70 GLU H 1 70 GLU HA 0.000 . 2.890 2.843 2.813 2.867 . 0 0 "[ . 1 .]" 1
430 1 67 VAL HA 1 70 GLU H 0.000 . 3.550 3.237 2.995 3.373 . 0 0 "[ . 1 .]" 1
431 1 70 GLU H 1 70 GLU HB3 0.000 . 3.290 3.146 1.976 3.336 0.046 12 0 "[ . 1 .]" 1
432 1 70 GLU H 1 70 GLU HB2 0.000 . 3.290 2.146 1.957 3.355 0.065 10 0 "[ . 1 .]" 1
433 1 71 LYS QB 1 72 SER H 0.000 . 4.530 2.710 2.635 2.794 . 0 0 "[ . 1 .]" 1
434 1 73 THR H 1 73 THR HB 0.000 . 3.090 2.772 2.604 3.026 . 0 0 "[ . 1 .]" 1
435 1 73 THR H 1 74 MET QB 0.000 . 5.880 4.121 3.940 4.258 . 0 0 "[ . 1 .]" 1
436 1 74 MET H 1 74 MET QB 0.000 . 3.900 2.012 1.950 2.161 . 0 0 "[ . 1 .]" 1
437 1 73 THR HB 1 74 MET H 0.000 . 3.190 2.598 2.463 2.866 . 0 0 "[ . 1 .]" 1
438 1 74 MET H 1 74 MET HA 0.000 . 2.730 2.810 2.805 2.817 0.087 14 0 "[ . 1 .]" 1
439 1 74 MET HA 1 75 LEU H 0.000 . 3.620 3.552 3.537 3.561 . 0 0 "[ . 1 .]" 1
440 1 74 MET QB 1 75 LEU H 0.000 . 4.300 2.628 2.483 2.760 . 0 0 "[ . 1 .]" 1
441 1 75 LEU H 1 75 LEU HB2 0.000 . 3.420 2.083 2.049 2.104 . 0 0 "[ . 1 .]" 1
442 1 75 LEU H 1 75 LEU HB3 0.000 . 3.420 3.419 3.389 3.445 0.025 13 0 "[ . 1 .]" 1
443 1 75 LEU HB3 1 76 TYR H 0.000 . 3.950 3.151 3.076 3.233 . 0 0 "[ . 1 .]" 1
444 1 75 LEU HB2 1 76 TYR H 0.000 . 3.950 2.677 2.614 2.745 . 0 0 "[ . 1 .]" 1
445 1 73 THR HA 1 76 TYR H 0.000 . 4.250 3.298 3.209 3.363 . 0 0 "[ . 1 .]" 1
446 1 76 TYR QB 1 77 ASN H 0.000 . 4.260 2.707 2.599 2.770 . 0 0 "[ . 1 .]" 1
447 1 77 ASN H 1 77 ASN HB3 0.000 . 3.090 2.411 2.296 2.506 . 0 0 "[ . 1 .]" 1
448 1 77 ASN H 1 77 ASN HB2 0.000 . 3.090 2.472 2.382 2.596 . 0 0 "[ . 1 .]" 1
449 1 75 LEU H 1 77 ASN H 0.000 . 3.650 3.684 3.675 3.695 0.045 9 0 "[ . 1 .]" 1
450 1 78 LYS H 1 78 LYS QB 0.000 . 3.770 2.024 1.958 2.329 . 0 0 "[ . 1 .]" 1
451 1 77 ASN HB2 1 78 LYS H 0.000 . 3.820 3.808 3.757 3.835 0.015 11 0 "[ . 1 .]" 1
452 1 77 ASN HB3 1 78 LYS H 0.000 . 3.820 2.468 2.356 2.599 . 0 0 "[ . 1 .]" 1
453 1 78 LYS H 1 78 LYS HA 0.000 . 2.830 2.885 2.868 2.901 0.071 12 0 "[ . 1 .]" 1
454 1 79 PHE H 1 79 PHE HB3 0.000 . 3.120 3.351 3.325 3.397 0.277 10 0 "[ . 1 .]" 1
455 1 79 PHE H 1 79 PHE HB2 0.000 . 3.120 1.988 1.963 2.053 . 0 0 "[ . 1 .]" 1
456 1 78 LYS QB 1 79 PHE H 0.000 . 4.230 2.726 2.536 2.801 . 0 0 "[ . 1 .]" 1
457 1 76 TYR HA 1 79 PHE H 0.000 . 3.650 3.303 3.185 3.412 . 0 0 "[ . 1 .]" 1
458 1 78 LYS H 1 80 LYS H 0.000 . 5.240 4.209 4.075 4.342 . 0 0 "[ . 1 .]" 1
459 1 79 PHE HB3 1 80 LYS H 0.000 . 3.520 3.111 2.988 3.277 . 0 0 "[ . 1 .]" 1
460 1 79 PHE HB2 1 80 LYS H 0.000 . 3.520 2.683 2.507 2.787 . 0 0 "[ . 1 .]" 1
461 1 80 LYS H 1 80 LYS HB2 0.000 . 3.120 2.168 2.010 2.324 . 0 0 "[ . 1 .]" 1
462 1 81 ASN H 1 81 ASN QB 0.000 . 3.840 2.111 1.949 2.399 . 0 0 "[ . 1 .]" 1
463 1 81 ASN HA 1 82 MET H 0.000 . 3.590 3.574 3.537 3.611 0.021 2 0 "[ . 1 .]" 1
464 1 79 PHE HA 1 82 MET H 0.000 . 3.750 3.736 3.649 3.793 0.043 2 0 "[ . 1 .]" 1
465 1 78 LYS HA 1 82 MET H 0.000 . 4.410 4.223 4.036 4.422 0.012 15 0 "[ . 1 .]" 1
466 1 79 PHE HA 1 83 PHE H 0.000 . 4.210 4.217 4.148 4.250 0.040 2 0 "[ . 1 .]" 1
467 1 82 MET HA 1 83 PHE H 0.000 . 3.420 3.507 3.494 3.522 0.102 4 0 "[ . 1 .]" 1
468 1 80 LYS HA 1 83 PHE H 0.000 . 4.350 3.316 3.170 3.464 . 0 0 "[ . 1 .]" 1
469 1 83 PHE H 1 83 PHE HB3 0.000 . 3.360 3.437 3.410 3.463 0.103 13 0 "[ . 1 .]" 1
470 1 83 PHE H 1 83 PHE HB2 0.000 . 3.360 2.111 2.090 2.134 . 0 0 "[ . 1 .]" 1
471 1 83 PHE HA 1 84 LEU H 0.000 . 3.060 3.248 3.224 3.275 0.215 2 0 "[ . 1 .]" 1
472 1 83 PHE HB3 1 84 LEU H 0.000 . 4.150 4.050 3.957 4.105 . 0 0 "[ . 1 .]" 1
473 1 83 PHE HB2 1 84 LEU H 0.000 . 4.150 3.593 3.518 3.665 . 0 0 "[ . 1 .]" 1
474 1 84 LEU H 1 84 LEU HB2 0.000 . 2.830 2.522 2.342 2.749 . 0 0 "[ . 1 .]" 1
475 1 84 LEU H 1 84 LEU HB3 0.000 . 2.830 2.727 2.490 2.843 0.013 1 0 "[ . 1 .]" 1
476 1 85 VAL H 1 85 VAL HB 0.000 . 2.960 2.705 2.354 3.149 0.189 9 0 "[ . 1 .]" 1
477 1 84 LEU HB3 1 85 VAL H 0.000 . 3.490 2.407 2.138 2.610 . 0 0 "[ . 1 .]" 1
478 1 84 LEU HB2 1 85 VAL H 0.000 . 3.490 3.494 3.252 3.561 0.071 14 0 "[ . 1 .]" 1
479 1 42 THR HA 1 43 MET H 0.000 . 3.360 2.500 2.387 2.608 . 0 0 "[ . 1 .]" 1
480 1 64 VAL HA 1 65 SER H 0.000 . 3.520 3.537 3.531 3.543 0.023 9 0 "[ . 1 .]" 1
481 1 64 VAL HB 1 65 SER H 0.000 . 3.390 3.554 3.524 3.570 0.180 6 0 "[ . 1 .]" 1
482 1 5 ASP HA 1 8 LEU H 0.000 . 3.780 3.660 3.565 3.771 . 0 0 "[ . 1 .]" 1
483 1 11 ILE HB 1 12 HIS H 0.000 . 3.450 2.622 2.446 2.693 . 0 0 "[ . 1 .]" 1
484 1 15 ILE H 1 15 ILE HB 0.000 . 2.500 2.313 2.257 2.346 . 0 0 "[ . 1 .]" 1
485 1 19 LEU HA 1 20 LYS H 0.000 . 3.220 2.842 2.818 2.875 . 0 0 "[ . 1 .]" 1
486 1 48 LYS HA 1 49 HIS H 0.000 . 3.450 3.405 3.373 3.440 . 0 0 "[ . 1 .]" 1
487 1 70 GLU HB3 1 71 LYS H 0.000 . 4.050 2.566 2.322 3.443 . 0 0 "[ . 1 .]" 1
488 1 70 GLU HB2 1 71 LYS H 0.000 . 4.050 2.817 2.578 4.075 0.025 11 0 "[ . 1 .]" 1
489 1 26 VAL HA 1 30 ILE H 0.000 . 4.770 3.944 3.789 4.131 . 0 0 "[ . 1 .]" 1
490 1 28 ARG HA 1 30 ILE H 0.000 . 5.500 4.966 4.902 5.059 . 0 0 "[ . 1 .]" 1
491 1 34 ASP HA 1 36 LEU H 0.000 . 4.210 4.095 3.901 4.229 0.019 4 0 "[ . 1 .]" 1
492 1 77 ASN HA 1 80 LYS H 0.000 . 3.780 3.639 3.531 3.782 0.002 15 0 "[ . 1 .]" 1
493 1 81 ASN HA 1 85 VAL H 0.000 . 4.710 3.552 3.141 3.937 . 0 0 "[ . 1 .]" 1
494 1 34 ASP HA 1 37 ALA H 0.000 . 3.290 3.284 3.193 3.345 0.055 14 0 "[ . 1 .]" 1
495 1 42 THR HA 1 44 GLN H 0.000 . 4.210 4.132 4.046 4.194 . 0 0 "[ . 1 .]" 1
496 1 20 LYS H 1 21 ILE H 0.000 . 4.580 3.861 3.770 3.904 . 0 0 "[ . 1 .]" 1
497 1 24 LEU HA 1 26 VAL H 0.000 . 4.810 4.744 4.651 4.850 0.040 11 0 "[ . 1 .]" 1
498 1 13 ALA HA 1 16 LYS H 0.000 . 3.980 3.853 3.713 3.958 . 0 0 "[ . 1 .]" 1
499 1 32 ALA HA 1 35 GLU H 0.000 . 3.320 3.289 3.188 3.429 0.109 14 0 "[ . 1 .]" 1
500 1 56 LEU HB2 1 57 LYS H 0.000 . 3.820 2.399 2.281 2.453 . 0 0 "[ . 1 .]" 1
501 1 80 LYS HA 1 81 ASN H 0.000 . 3.620 3.591 3.584 3.594 . 0 0 "[ . 1 .]" 1
502 1 29 CYS H 1 31 GLU H 0.000 . 4.870 4.372 4.282 4.447 . 0 0 "[ . 1 .]" 1
503 1 58 LYS H 1 60 ARG H 0.000 . 4.580 3.919 3.852 4.138 . 0 0 "[ . 1 .]" 1
504 1 77 ASN HA 1 81 ASN H 0.000 . 4.020 4.021 3.926 4.046 0.026 15 0 "[ . 1 .]" 1
505 1 21 ILE HA 1 24 LEU H 0.000 . 4.870 2.964 2.831 3.322 . 0 0 "[ . 1 .]" 1
506 1 67 VAL H 1 67 VAL HB 0.000 . 3.160 2.443 2.373 2.746 . 0 0 "[ . 1 .]" 1
507 1 67 VAL H 1 68 ILE H 0.000 . 3.620 2.165 2.070 2.247 . 0 0 "[ . 1 .]" 1
508 1 51 GLU QB 1 52 MET H 0.000 . 3.930 2.740 2.450 3.398 . 0 0 "[ . 1 .]" 1
509 1 80 LYS H 1 80 LYS HB3 0.000 . 3.120 2.754 2.562 2.965 . 0 0 "[ . 1 .]" 1
510 1 70 GLU HA 1 73 THR H 0.000 . 4.210 3.920 3.794 4.038 . 0 0 "[ . 1 .]" 1
511 1 43 MET HA 1 46 ALA H 0.000 . 3.550 3.556 3.492 3.577 0.027 3 0 "[ . 1 .]" 1
512 1 20 LYS HA 1 22 ASP H 0.000 . 4.380 3.580 3.543 3.659 . 0 0 "[ . 1 .]" 1
513 1 42 THR H 1 45 GLN H 0.000 . 4.310 3.361 3.000 3.657 . 0 0 "[ . 1 .]" 1
514 1 52 MET H 1 54 THR H 0.000 . 4.280 3.958 3.862 4.035 . 0 0 "[ . 1 .]" 1
515 1 68 ILE HA 1 72 SER H 0.000 . 4.310 4.192 3.981 4.335 0.025 10 0 "[ . 1 .]" 1
516 1 68 ILE HA 1 71 LYS H 0.000 . 4.440 4.094 3.726 4.347 . 0 0 "[ . 1 .]" 1
517 1 40 GLN HA 1 41 VAL H 0.000 . 2.460 2.357 2.240 2.479 0.019 10 0 "[ . 1 .]" 1
518 1 41 VAL HA 1 42 THR H 0.000 . 2.600 2.308 2.285 2.357 . 0 0 "[ . 1 .]" 1
519 1 19 LEU H 1 19 LEU HB3 0.000 . 3.390 3.534 3.469 3.546 0.156 11 0 "[ . 1 .]" 1
520 1 19 LEU H 1 19 LEU HB2 0.000 . 3.390 2.315 2.137 2.368 . 0 0 "[ . 1 .]" 1
521 1 73 THR HA 1 77 ASN H 0.000 . 4.810 3.264 3.089 3.435 . 0 0 "[ . 1 .]" 1
522 1 20 LYS H 1 23 ASN HB3 0.000 . 5.500 5.450 5.385 5.497 . 0 0 "[ . 1 .]" 1
523 1 20 LYS H 1 23 ASN HB2 0.000 . 5.500 5.491 5.421 5.543 0.043 11 0 "[ . 1 .]" 1
524 1 8 LEU H 1 8 LEU HG 0.000 . 3.320 2.225 1.970 2.525 . 0 0 "[ . 1 .]" 1
525 1 9 GLN H 1 9 GLN HG3 0.000 . 4.940 3.866 3.676 4.363 . 0 0 "[ . 1 .]" 1
526 1 9 GLN H 1 9 GLN HG2 0.000 . 4.940 4.365 3.848 4.579 . 0 0 "[ . 1 .]" 1
527 1 8 LEU HG 1 9 GLN H 0.000 . 5.500 4.379 4.164 4.571 . 0 0 "[ . 1 .]" 1
528 1 14 GLU H 1 14 GLU QG 0.000 . 4.260 2.376 2.045 2.704 . 0 0 "[ . 1 .]" 1
529 1 14 GLU QG 1 15 ILE H 0.000 . 5.490 4.005 3.845 4.176 . 0 0 "[ . 1 .]" 1
530 1 16 LYS H 1 16 LYS HG3 0.000 . 4.380 2.862 2.491 3.816 . 0 0 "[ . 1 .]" 1
531 1 16 LYS H 1 16 LYS HG2 0.000 . 4.380 3.418 2.825 4.067 . 0 0 "[ . 1 .]" 1
532 1 19 LEU H 1 19 LEU HG 0.000 . 3.490 2.405 2.227 3.533 0.043 13 0 "[ . 1 .]" 1
533 1 21 ILE H 1 21 ILE HG13 0.000 . 4.080 1.807 1.776 1.831 . 0 0 "[ . 1 .]" 1
534 1 21 ILE H 1 21 ILE HG12 0.000 . 4.080 2.892 2.756 2.961 . 0 0 "[ . 1 .]" 1
535 1 28 ARG H 1 28 ARG HD2 0.000 . 5.500 3.958 2.841 5.035 . 0 0 "[ . 1 .]" 1
536 1 28 ARG H 1 28 ARG HD3 0.000 . 5.500 4.304 2.654 5.501 0.001 5 0 "[ . 1 .]" 1
537 1 31 GLU H 1 31 GLU HG3 0.000 . 4.770 3.533 2.429 4.354 . 0 0 "[ . 1 .]" 1
538 1 31 GLU H 1 31 GLU HG2 0.000 . 4.770 3.937 2.614 4.509 . 0 0 "[ . 1 .]" 1
539 1 38 SER H 1 39 LEU HG 0.000 . 5.500 4.863 3.215 5.044 . 0 0 "[ . 1 .]" 1
540 1 39 LEU H 1 39 LEU HG 0.000 . 3.090 3.046 2.260 3.125 0.035 8 0 "[ . 1 .]" 1
541 1 44 GLN H 1 44 GLN QG 0.000 . 5.120 3.341 2.211 3.989 . 0 0 "[ . 1 .]" 1
542 1 45 GLN H 1 45 GLN QG 0.000 . 4.130 2.673 2.169 3.874 . 0 0 "[ . 1 .]" 1
543 1 47 GLN H 1 47 GLN HG3 0.000 . 3.880 3.619 3.533 3.663 . 0 0 "[ . 1 .]" 1
544 1 47 GLN H 1 47 GLN HG2 0.000 . 3.880 3.887 3.861 3.897 0.017 5 0 "[ . 1 .]" 1
545 1 47 GLN H 1 83 PHE HZ 0.000 . 5.500 3.269 2.920 3.626 . 0 0 "[ . 1 .]" 1
546 1 48 LYS QD 1 49 HIS H 0.000 . 6.380 5.137 4.410 5.533 . 0 0 "[ . 1 .]" 1
547 1 56 LEU H 1 76 TYR QD 0.000 . 7.640 5.828 5.464 6.078 . 0 0 "[ . 1 .]" 1
548 1 56 LEU H 1 56 LEU HG 0.000 . 3.160 1.960 1.919 1.994 . 0 0 "[ . 1 .]" 1
549 1 57 LYS H 1 76 TYR QD 0.000 . 7.640 4.692 4.092 5.040 . 0 0 "[ . 1 .]" 1
550 1 57 LYS H 1 76 TYR QE 0.000 . 7.630 4.819 4.274 5.236 . 0 0 "[ . 1 .]" 1
551 1 57 LYS H 1 57 LYS QD 0.000 . 4.660 3.802 3.180 4.237 . 0 0 "[ . 1 .]" 1
552 1 57 LYS H 1 57 LYS HG3 0.000 . 5.500 2.617 2.219 3.065 . 0 0 "[ . 1 .]" 1
553 1 57 LYS H 1 57 LYS HG2 0.000 . 5.500 3.560 1.966 4.130 . 0 0 "[ . 1 .]" 1
554 1 58 LYS H 1 58 LYS QE 0.000 . 6.380 3.795 3.114 4.263 . 0 0 "[ . 1 .]" 1
555 1 59 ILE H 1 59 ILE HG13 0.000 . 3.490 2.316 1.893 3.508 0.018 4 0 "[ . 1 .]" 1
556 1 59 ILE H 1 59 ILE HG12 0.000 . 3.490 3.126 1.978 3.511 0.021 13 0 "[ . 1 .]" 1
557 1 60 ARG H 1 60 ARG HD2 0.000 . 5.500 4.731 4.204 5.497 . 0 0 "[ . 1 .]" 1
558 1 60 ARG H 1 60 ARG QG 0.000 . 5.020 3.660 2.051 3.982 . 0 0 "[ . 1 .]" 1
559 1 62 PHE H 1 69 MET HG3 0.000 . 5.270 4.869 4.621 4.986 . 0 0 "[ . 1 .]" 1
560 1 62 PHE H 1 69 MET HG2 0.000 . 5.270 4.356 4.057 4.500 . 0 0 "[ . 1 .]" 1
561 1 69 MET H 1 69 MET HG3 0.000 . 3.420 2.805 2.134 3.017 . 0 0 "[ . 1 .]" 1
562 1 69 MET H 1 69 MET HG2 0.000 . 3.420 3.407 3.241 3.497 0.077 14 0 "[ . 1 .]" 1
563 1 70 GLU H 1 70 GLU HG3 0.000 . 3.590 3.487 3.039 3.602 0.012 5 0 "[ . 1 .]" 1
564 1 76 TYR QD 1 77 ASN H 0.000 . 7.440 3.940 3.713 4.100 . 0 0 "[ . 1 .]" 1
565 1 78 LYS H 1 78 LYS HG3 0.000 . 5.500 3.703 2.359 4.340 . 0 0 "[ . 1 .]" 1
566 1 79 PHE QD 1 80 LYS H 0.000 . 7.620 4.422 4.279 4.519 . 0 0 "[ . 1 .]" 1
567 1 80 LYS QG 1 81 ASN H 0.000 . 6.380 3.712 3.309 4.154 . 0 0 "[ . 1 .]" 1
568 1 82 MET H 1 82 MET HG3 0.000 . 4.180 3.074 2.814 4.250 0.070 8 0 "[ . 1 .]" 1
569 1 82 MET H 1 82 MET HG2 0.000 . 4.180 3.552 1.987 4.189 0.009 6 0 "[ . 1 .]" 1
570 1 12 HIS HD2 1 15 ILE H 0.000 . 5.500 4.818 4.676 4.967 . 0 0 "[ . 1 .]" 1
571 1 12 HIS HD2 1 16 LYS H 0.000 . 5.500 3.787 3.502 3.996 . 0 0 "[ . 1 .]" 1
572 1 13 ALA H 1 14 GLU QG 0.000 . 6.380 4.459 4.199 4.826 . 0 0 "[ . 1 .]" 1
573 1 83 PHE QD 1 84 LEU H 0.000 . 7.620 4.645 4.395 4.873 . 0 0 "[ . 1 .]" 1
574 1 82 MET H 1 83 PHE QD 0.000 . 7.620 4.228 3.779 4.864 . 0 0 "[ . 1 .]" 1
575 1 49 HIS H 1 49 HIS HD2 0.000 . 3.780 3.718 3.442 3.790 0.010 5 0 "[ . 1 .]" 1
576 1 45 GLN QG 1 46 ALA H 0.000 . 5.250 4.126 3.620 4.612 . 0 0 "[ . 1 .]" 1
577 1 12 HIS H 1 12 HIS HD2 0.000 . 5.500 4.785 4.738 4.820 . 0 0 "[ . 1 .]" 1
578 1 12 HIS HD2 1 13 ALA H 0.000 . 5.500 4.796 4.665 4.939 . 0 0 "[ . 1 .]" 1
579 1 78 LYS H 1 78 LYS HG2 0.000 . 5.500 4.079 2.884 4.488 . 0 0 "[ . 1 .]" 1
580 1 77 ASN HD21 1 78 LYS HG3 0.000 . 6.060 4.004 2.666 4.801 . 0 0 "[ . 1 .]" 1
581 1 77 ASN HD22 1 78 LYS HG3 0.000 . 6.060 5.380 4.277 6.070 0.010 14 0 "[ . 1 .]" 1
582 1 57 LYS H 1 58 LYS QE 0.000 . 6.380 5.354 4.653 5.742 . 0 0 "[ . 1 .]" 1
583 1 56 LEU HG 1 57 LYS H 0.000 . 4.310 4.171 4.139 4.215 . 0 0 "[ . 1 .]" 1
584 1 10 ARG H 1 10 ARG HG3 0.000 . 5.500 4.250 4.000 4.416 . 0 0 "[ . 1 .]" 1
585 1 10 ARG H 1 10 ARG HG2 0.000 . 5.500 4.503 4.242 4.591 . 0 0 "[ . 1 .]" 1
586 1 70 GLU H 1 70 GLU HG2 0.000 . 3.590 3.400 3.279 3.670 0.080 11 0 "[ . 1 .]" 1
587 1 42 THR H 1 45 GLN QG 0.000 . 4.790 3.829 2.937 4.250 . 0 0 "[ . 1 .]" 1
588 1 58 LYS H 1 58 LYS QD 0.000 . 4.690 3.675 3.102 4.298 . 0 0 "[ . 1 .]" 1
589 1 60 ARG H 1 60 ARG HD3 0.000 . 5.500 4.653 3.979 5.530 0.030 2 0 "[ . 1 .]" 1
590 1 16 LYS HG3 1 17 ASN H 0.000 . 5.500 4.781 4.552 5.272 . 0 0 "[ . 1 .]" 1
591 1 16 LYS HG2 1 17 ASN H 0.000 . 5.500 4.941 4.665 5.272 . 0 0 "[ . 1 .]" 1
592 1 62 PHE QE 1 64 VAL H 0.000 . 7.620 4.690 4.643 4.801 . 0 0 "[ . 1 .]" 1
593 1 9 GLN H 1 49 HIS HE1 0.000 . 5.500 2.789 2.397 2.971 . 0 0 "[ . 1 .]" 1
594 1 9 GLN HE21 1 49 HIS HE1 0.000 . 5.500 3.958 2.561 5.039 . 0 0 "[ . 1 .]" 1
595 1 9 GLN HE22 1 49 HIS HE1 0.000 . 5.500 5.221 3.996 5.512 0.012 4 0 "[ . 1 .]" 1
596 1 8 LEU H 1 8 LEU MD2 0.000 . 5.830 3.246 2.956 3.500 . 0 0 "[ . 1 .]" 1
597 1 8 LEU H 1 8 LEU MD1 0.000 . 5.210 3.601 3.486 3.737 . 0 0 "[ . 1 .]" 1
598 1 11 ILE H 1 11 ILE MD 0.000 . 4.880 2.853 2.665 3.426 . 0 0 "[ . 1 .]" 1
599 1 13 ALA H 1 13 ALA MB 0.000 . 3.620 2.066 1.967 2.161 . 0 0 "[ . 1 .]" 1
600 1 15 ILE MG 1 16 LYS H 0.000 . 5.170 3.442 3.263 3.558 . 0 0 "[ . 1 .]" 1
601 1 20 LYS H 1 24 LEU QD 0.000 . 7.630 2.997 2.268 3.591 . 0 0 "[ . 1 .]" 1
602 1 21 ILE H 1 21 ILE MG 0.000 . 4.680 3.690 3.686 3.698 . 0 0 "[ . 1 .]" 1
603 1 21 ILE MG 1 22 ASP H 0.000 . 4.350 3.631 3.595 3.670 . 0 0 "[ . 1 .]" 1
604 1 23 ASN H 1 24 LEU QD 0.000 . 7.630 4.141 3.234 4.792 . 0 0 "[ . 1 .]" 1
605 1 24 LEU MD1 1 25 ASP H 0.000 . 5.080 2.981 2.573 4.304 . 0 0 "[ . 1 .]" 1
606 1 19 LEU MD2 1 25 ASP H 0.000 . 6.530 5.249 5.225 5.349 . 0 0 "[ . 1 .]" 1
607 1 19 LEU MD2 1 20 LYS H 0.000 . 6.530 4.130 3.884 4.235 . 0 0 "[ . 1 .]" 1
608 1 26 VAL QG 1 27 ASN H 0.000 . 6.240 3.239 3.193 3.293 . 0 0 "[ . 1 .]" 1
609 1 30 ILE H 1 30 ILE MD 0.000 . 5.440 3.323 3.099 3.439 . 0 0 "[ . 1 .]" 1
610 1 30 ILE H 1 33 LEU MD2 0.000 . 5.440 4.537 4.518 4.566 . 0 0 "[ . 1 .]" 1
611 1 31 GLU H 1 32 ALA MB 0.000 . 6.530 4.222 4.162 4.296 . 0 0 "[ . 1 .]" 1
612 1 30 ILE MG 1 31 GLU H 0.000 . 5.040 2.893 2.342 3.022 . 0 0 "[ . 1 .]" 1
613 1 32 ALA H 1 33 LEU MD1 0.000 . 6.530 5.113 5.052 5.154 . 0 0 "[ . 1 .]" 1
614 1 33 LEU H 1 33 LEU MD1 0.000 . 5.040 3.607 3.587 3.625 . 0 0 "[ . 1 .]" 1
615 1 33 LEU H 1 33 LEU MD2 0.000 . 4.750 2.607 2.439 2.707 . 0 0 "[ . 1 .]" 1
616 1 33 LEU MD1 1 34 ASP H 0.000 . 5.600 4.577 4.510 4.656 . 0 0 "[ . 1 .]" 1
617 1 33 LEU MD2 1 34 ASP H 0.000 . 6.530 4.340 4.267 4.388 . 0 0 "[ . 1 .]" 1
618 1 32 ALA MB 1 34 ASP H 0.000 . 6.530 4.455 4.378 4.542 . 0 0 "[ . 1 .]" 1
619 1 36 LEU H 1 37 ALA MB 0.000 . 6.530 3.892 3.806 3.983 . 0 0 "[ . 1 .]" 1
620 1 11 ILE MD 1 36 LEU H 0.000 . 5.440 3.111 2.976 3.330 . 0 0 "[ . 1 .]" 1
621 1 11 ILE MD 1 37 ALA H 0.000 . 5.800 4.583 4.557 4.618 . 0 0 "[ . 1 .]" 1
622 1 38 SER H 1 39 LEU QD 0.000 . 7.630 4.777 3.663 4.972 . 0 0 "[ . 1 .]" 1
623 1 39 LEU H 1 41 VAL MG2 0.000 . 6.530 4.723 4.572 4.948 . 0 0 "[ . 1 .]" 1
624 1 41 VAL H 1 41 VAL MG2 0.000 . 3.850 2.535 2.267 2.825 . 0 0 "[ . 1 .]" 1
625 1 39 LEU QD 1 41 VAL H 0.000 . 7.630 4.592 4.154 5.036 . 0 0 "[ . 1 .]" 1
626 1 42 THR H 1 42 THR MG 0.000 . 4.150 1.924 1.888 1.980 . 0 0 "[ . 1 .]" 1
627 1 41 VAL MG1 1 42 THR H 0.000 . 4.220 2.080 1.964 2.247 . 0 0 "[ . 1 .]" 1
628 1 42 THR MG 1 44 GLN H 0.000 . 6.530 2.500 1.995 2.953 . 0 0 "[ . 1 .]" 1
629 1 41 VAL MG1 1 45 GLN H 0.000 . 6.530 3.996 3.561 4.352 . 0 0 "[ . 1 .]" 1
630 1 41 VAL MG1 1 46 ALA H 0.000 . 5.270 3.036 2.774 3.309 . 0 0 "[ . 1 .]" 1
631 1 49 HIS H 1 50 THR MG 0.000 . 6.530 3.699 3.414 4.076 . 0 0 "[ . 1 .]" 1
632 1 50 THR H 1 50 THR MG 0.000 . 4.380 2.223 1.945 2.571 . 0 0 "[ . 1 .]" 1
633 1 53 ILE H 1 53 ILE MD 0.000 . 5.500 3.662 3.578 3.733 . 0 0 "[ . 1 .]" 1
634 1 53 ILE MG 1 54 THR H 0.000 . 5.970 3.247 3.081 3.544 . 0 0 "[ . 1 .]" 1
635 1 55 THR MG 1 56 LEU H 0.000 . 5.700 3.578 3.244 3.717 . 0 0 "[ . 1 .]" 1
636 1 56 LEU H 1 56 LEU MD2 0.000 . 5.700 3.132 3.018 3.196 . 0 0 "[ . 1 .]" 1
637 1 56 LEU H 1 59 ILE MD 0.000 . 6.530 4.185 3.434 5.432 . 0 0 "[ . 1 .]" 1
638 1 53 ILE MG 1 56 LEU H 0.000 . 6.530 4.678 4.522 4.903 . 0 0 "[ . 1 .]" 1
639 1 56 LEU MD1 1 57 LYS H 0.000 . 6.530 4.386 4.342 4.439 . 0 0 "[ . 1 .]" 1
640 1 56 LEU MD2 1 57 LYS H 0.000 . 6.530 4.542 4.507 4.560 . 0 0 "[ . 1 .]" 1
641 1 59 ILE H 1 59 ILE MG 0.000 . 4.220 3.690 3.683 3.698 . 0 0 "[ . 1 .]" 1
642 1 59 ILE H 1 59 ILE MD 0.000 . 5.470 3.119 2.509 3.398 . 0 0 "[ . 1 .]" 1
643 1 59 ILE MG 1 60 ARG H 0.000 . 6.530 3.927 3.823 4.051 . 0 0 "[ . 1 .]" 1
644 1 59 ILE MG 1 61 ARG H 0.000 . 6.530 4.438 4.401 4.490 . 0 0 "[ . 1 .]" 1
645 1 59 ILE MG 1 62 PHE H 0.000 . 6.530 3.268 3.183 3.393 . 0 0 "[ . 1 .]" 1
646 1 64 VAL H 1 64 VAL MG2 0.000 . 4.180 3.589 3.568 3.598 . 0 0 "[ . 1 .]" 1
647 1 68 ILE H 1 68 ILE MG 0.000 . 4.380 3.596 3.524 3.673 . 0 0 "[ . 1 .]" 1
648 1 68 ILE MG 1 69 MET H 0.000 . 4.910 2.802 2.518 2.990 . 0 0 "[ . 1 .]" 1
649 1 68 ILE MG 1 70 GLU H 0.000 . 6.490 4.654 4.535 4.794 . 0 0 "[ . 1 .]" 1
650 1 33 LEU MD1 1 72 SER H 0.000 . 4.940 3.307 2.981 3.612 . 0 0 "[ . 1 .]" 1
651 1 33 LEU MD2 1 72 SER H 0.000 . 6.530 4.003 3.574 4.296 . 0 0 "[ . 1 .]" 1
652 1 75 LEU H 1 75 LEU MD1 0.000 . 5.570 2.750 2.291 3.136 . 0 0 "[ . 1 .]" 1
653 1 75 LEU H 1 75 LEU MD2 0.000 . 5.110 4.267 4.171 4.323 . 0 0 "[ . 1 .]" 1
654 1 33 LEU MD2 1 75 LEU H 0.000 . 6.530 5.257 5.225 5.294 . 0 0 "[ . 1 .]" 1
655 1 75 LEU MD1 1 76 TYR H 0.000 . 6.530 4.203 4.050 4.333 . 0 0 "[ . 1 .]" 1
656 1 56 LEU MD1 1 76 TYR H 0.000 . 6.070 3.775 3.367 4.438 . 0 0 "[ . 1 .]" 1
657 1 53 ILE MG 1 80 LYS H 0.000 . 6.530 4.821 4.626 5.049 . 0 0 "[ . 1 .]" 1
658 1 53 ILE MD 1 80 LYS H 0.000 . 6.530 4.892 4.714 5.050 . 0 0 "[ . 1 .]" 1
659 1 24 LEU H 1 24 LEU MD2 0.000 . 4.450 3.574 3.462 3.774 . 0 0 "[ . 1 .]" 1
660 1 45 GLN H 1 46 ALA MB 0.000 . 6.530 4.022 3.785 4.144 . 0 0 "[ . 1 .]" 1
661 1 42 THR MG 1 45 GLN H 0.000 . 6.530 1.944 1.893 2.014 . 0 0 "[ . 1 .]" 1
662 1 41 VAL MG1 1 47 GLN H 0.000 . 6.530 4.860 4.640 5.140 . 0 0 "[ . 1 .]" 1
663 1 11 ILE MD 1 12 HIS H 0.000 . 6.530 4.253 4.181 4.407 . 0 0 "[ . 1 .]" 1
664 1 15 ILE H 1 15 ILE MG 0.000 . 4.510 3.697 3.683 3.703 . 0 0 "[ . 1 .]" 1
665 1 64 VAL MG2 1 65 SER H 0.000 . 5.870 3.833 3.805 3.880 . 0 0 "[ . 1 .]" 1
666 1 71 LYS H 1 75 LEU MD1 0.000 . 6.530 5.326 5.156 5.399 . 0 0 "[ . 1 .]" 1
667 1 33 LEU MD1 1 71 LYS H 0.000 . 6.530 3.493 3.299 3.698 . 0 0 "[ . 1 .]" 1
668 1 33 LEU MD2 1 71 LYS H 0.000 . 6.530 5.094 4.601 5.352 . 0 0 "[ . 1 .]" 1
669 1 34 ASP H 1 36 LEU QD 0.000 . 7.630 5.595 5.537 5.664 . 0 0 "[ . 1 .]" 1
670 1 84 LEU H 1 84 LEU MD2 0.000 . 5.540 4.294 3.719 4.411 . 0 0 "[ . 1 .]" 1
671 1 84 LEU H 1 84 LEU MD1 0.000 . 5.540 4.067 3.921 4.272 . 0 0 "[ . 1 .]" 1
672 1 15 ILE MG 1 18 SER H 0.000 . 6.530 4.610 4.432 4.718 . 0 0 "[ . 1 .]" 1
673 1 56 LEU MD2 1 76 TYR H 0.000 . 6.530 4.765 4.162 5.038 . 0 0 "[ . 1 .]" 1
674 1 37 ALA H 1 75 LEU MD1 0.000 . 5.140 3.432 2.817 3.976 . 0 0 "[ . 1 .]" 1
675 1 37 ALA H 1 75 LEU MD2 0.000 . 5.700 2.635 2.172 3.016 . 0 0 "[ . 1 .]" 1
676 1 24 LEU MD2 1 25 ASP H 0.000 . 6.530 4.556 3.996 5.344 . 0 0 "[ . 1 .]" 1
677 1 19 LEU MD1 1 20 LYS H 0.000 . 6.530 5.509 5.044 5.552 . 0 0 "[ . 1 .]" 1
678 1 8 LEU MD2 1 9 GLN H 0.000 . 6.530 4.536 4.496 4.589 . 0 0 "[ . 1 .]" 1
679 1 8 LEU MD1 1 9 GLN H 0.000 . 6.530 4.588 4.541 4.671 . 0 0 "[ . 1 .]" 1
680 1 8 LEU MD1 1 46 ALA H 0.000 . 6.530 4.439 4.159 4.691 . 0 0 "[ . 1 .]" 1
681 1 33 LEU H 1 36 LEU QD 0.000 . 7.630 5.019 4.889 5.104 . 0 0 "[ . 1 .]" 1
682 1 10 ARG H 1 11 ILE MD 0.000 . 6.530 4.495 4.330 5.124 . 0 0 "[ . 1 .]" 1
683 1 27 ASN H 1 30 ILE MG 0.000 . 6.530 5.439 5.390 5.459 . 0 0 "[ . 1 .]" 1
684 1 67 VAL H 1 68 ILE MG 0.000 . 6.100 5.179 5.141 5.272 . 0 0 "[ . 1 .]" 1
685 1 41 VAL H 1 42 THR MG 0.000 . 6.530 5.341 5.272 5.376 . 0 0 "[ . 1 .]" 1
686 1 42 THR MG 1 46 ALA H 0.000 . 6.530 3.355 3.102 3.673 . 0 0 "[ . 1 .]" 1
687 1 19 LEU MD1 1 59 ILE H 0.000 . 6.530 4.413 3.326 4.574 . 0 0 "[ . 1 .]" 1
688 1 42 THR MG 1 47 GLN H 0.000 . 6.530 5.057 4.976 5.191 . 0 0 "[ . 1 .]" 1
689 1 50 THR HA 1 50 THR HB 0.000 . 2.740 2.549 2.481 2.650 . 0 0 "[ . 1 .]" 1
690 1 17 ASN HA 1 17 ASN HB3 0.000 . 2.990 2.988 2.929 3.031 0.041 10 0 "[ . 1 .]" 1
691 1 17 ASN HA 1 17 ASN HB2 0.000 . 2.990 2.647 2.490 2.787 . 0 0 "[ . 1 .]" 1
692 1 21 ILE HA 1 21 ILE HB 0.000 . 2.960 3.014 3.011 3.016 0.056 13 0 "[ . 1 .]" 1
693 1 30 ILE HA 1 30 ILE HB 0.000 . 2.990 3.021 2.961 3.031 0.041 3 0 "[ . 1 .]" 1
694 1 73 THR HA 1 73 THR HB 0.000 . 2.800 2.975 2.922 3.001 0.201 14 0 "[ . 1 .]" 1
695 1 4 MET HA 1 4 MET HB2 0.000 . 3.020 2.495 2.396 2.619 . 0 0 "[ . 1 .]" 1
696 1 12 HIS HA 1 15 ILE HB 0.000 . 3.240 2.456 2.345 2.569 . 0 0 "[ . 1 .]" 1
697 1 30 ILE HA 1 33 LEU HB3 0.000 . 3.890 3.858 3.755 3.920 0.030 3 0 "[ . 1 .]" 1
698 1 67 VAL HA 1 70 GLU HB2 0.000 . 3.330 2.266 1.977 3.410 0.080 11 0 "[ . 1 .]" 1
699 1 67 VAL HA 1 70 GLU HB3 0.000 . 3.330 3.171 1.980 3.370 0.040 9 0 "[ . 1 .]" 1
700 1 50 THR HA 1 53 ILE HB 0.000 . 2.960 2.509 2.358 2.662 . 0 0 "[ . 1 .]" 1
701 1 51 GLU HA 1 54 THR HB 0.000 . 2.860 2.831 2.692 2.886 0.026 14 0 "[ . 1 .]" 1
702 1 59 ILE HA 1 62 PHE HB3 0.000 . 3.640 3.674 3.656 3.688 0.048 3 0 "[ . 1 .]" 1
703 1 77 ASN HA 1 80 LYS HB2 0.000 . 3.480 3.321 2.975 3.486 0.006 1 0 "[ . 1 .]" 1
704 1 79 PHE HA 1 82 MET QB 0.000 . 4.890 2.844 2.429 4.028 . 0 0 "[ . 1 .]" 1
705 1 34 ASP HA 1 34 ASP HB2 0.000 . 3.020 2.608 2.518 2.727 . 0 0 "[ . 1 .]" 1
706 1 34 ASP HA 1 34 ASP HB3 0.000 . 3.020 3.013 2.967 3.038 0.018 9 0 "[ . 1 .]" 1
707 1 64 VAL HA 1 64 VAL HB 0.000 . 2.960 2.619 2.605 2.645 . 0 0 "[ . 1 .]" 1
708 1 59 ILE HA 1 62 PHE HB2 0.000 . 3.640 2.788 2.585 2.969 . 0 0 "[ . 1 .]" 1
709 1 31 GLU HA 1 34 ASP HB3 0.000 . 4.260 3.287 3.067 3.609 . 0 0 "[ . 1 .]" 1
710 1 31 GLU HA 1 34 ASP HB2 0.000 . 4.260 3.506 3.040 3.859 . 0 0 "[ . 1 .]" 1
711 1 6 SER HA 1 9 GLN HB3 0.000 . 2.800 2.817 2.781 2.845 0.045 11 0 "[ . 1 .]" 1
712 1 6 SER HA 1 9 GLN HB2 0.000 . 2.800 2.608 2.457 2.698 . 0 0 "[ . 1 .]" 1
713 1 77 ASN HA 1 80 LYS HB3 0.000 . 3.480 3.224 2.863 3.487 0.007 5 0 "[ . 1 .]" 1
714 1 29 CYS HA 1 29 CYS HB3 0.000 . 3.020 3.013 2.945 3.039 0.019 6 0 "[ . 1 .]" 1
715 1 29 CYS HA 1 29 CYS HB2 0.000 . 3.020 2.569 2.459 2.783 . 0 0 "[ . 1 .]" 1
716 1 9 GLN HA 1 9 GLN HG2 0.000 . 3.730 2.489 2.276 3.195 . 0 0 "[ . 1 .]" 1
717 1 74 MET HA 1 74 MET HG3 0.000 . 3.450 2.588 1.972 3.512 0.062 1 0 "[ . 1 .]" 1
718 1 74 MET HA 1 74 MET HG2 0.000 . 3.450 2.779 2.022 3.395 . 0 0 "[ . 1 .]" 1
719 1 43 MET HA 1 43 MET QG 0.000 . 3.770 2.512 2.194 3.311 . 0 0 "[ . 1 .]" 1
720 1 21 ILE HA 1 21 ILE HG13 0.000 . 4.010 3.100 3.068 3.135 . 0 0 "[ . 1 .]" 1
721 1 47 GLN HA 1 47 GLN HG2 0.000 . 3.140 1.964 1.952 1.979 . 0 0 "[ . 1 .]" 1
722 1 69 MET HA 1 69 MET HG2 0.000 . 3.580 2.249 2.037 3.333 . 0 0 "[ . 1 .]" 1
723 1 5 ASP QB 1 49 HIS HE1 0.000 . 5.880 4.182 3.523 4.769 . 0 0 "[ . 1 .]" 1
724 1 9 GLN HG2 1 49 HIS HE1 0.000 . 3.890 3.801 2.404 3.912 0.022 8 0 "[ . 1 .]" 1
725 1 12 HIS HA 1 12 HIS HD2 0.000 . 3.080 2.156 2.091 2.215 . 0 0 "[ . 1 .]" 1
726 1 12 HIS HD2 1 15 ILE HB 0.000 . 3.300 3.196 3.025 3.308 0.008 13 0 "[ . 1 .]" 1
727 1 20 LYS QB 1 23 ASN HB3 0.000 . 6.380 3.873 3.720 4.153 . 0 0 "[ . 1 .]" 1
728 1 41 VAL HB 1 79 PHE QE 0.000 . 6.820 3.770 2.700 4.178 . 0 0 "[ . 1 .]" 1
729 1 46 ALA HA 1 83 PHE QD 0.000 . 7.620 6.848 6.728 6.902 . 0 0 "[ . 1 .]" 1
730 1 50 THR HB 1 53 ILE HB 0.000 . 4.940 4.475 4.305 4.657 . 0 0 "[ . 1 .]" 1
731 1 53 ILE HA 1 76 TYR QD 0.000 . 7.640 4.317 4.013 4.600 . 0 0 "[ . 1 .]" 1
732 1 54 THR HA 1 57 LYS QD 0.000 . 5.850 2.918 2.001 4.267 . 0 0 "[ . 1 .]" 1
733 1 12 HIS HD2 1 55 THR HA 0.000 . 5.500 5.509 5.322 5.544 0.044 10 0 "[ . 1 .]" 1
734 1 12 HIS HD2 1 55 THR HB 0.000 . 4.660 3.663 3.236 3.822 . 0 0 "[ . 1 .]" 1
735 1 52 MET QG 1 55 THR HB 0.000 . 6.380 3.215 2.942 3.305 . 0 0 "[ . 1 .]" 1
736 1 56 LEU HB3 1 76 TYR QD 0.000 . 7.270 3.893 3.473 4.211 . 0 0 "[ . 1 .]" 1
737 1 56 LEU HB2 1 76 TYR QD 0.000 . 7.270 3.666 3.260 3.966 . 0 0 "[ . 1 .]" 1
738 1 59 ILE HA 1 62 PHE QD 0.000 . 7.620 4.655 4.468 4.846 . 0 0 "[ . 1 .]" 1
739 1 77 ASN HA 1 80 LYS QG 0.000 . 6.130 4.801 4.408 4.999 . 0 0 "[ . 1 .]" 1
740 1 76 TYR QD 1 77 ASN HA 0.000 . 7.640 4.301 4.130 4.430 . 0 0 "[ . 1 .]" 1
741 1 79 PHE HA 1 82 MET HG3 0.000 . 5.500 4.305 3.038 4.954 . 0 0 "[ . 1 .]" 1
742 1 79 PHE HA 1 82 MET HG2 0.000 . 5.500 4.484 2.064 5.501 0.001 5 0 "[ . 1 .]" 1
743 1 43 MET QG 1 83 PHE HA 0.000 . 6.380 3.400 2.353 5.489 . 0 0 "[ . 1 .]" 1
744 1 4 MET HA 1 7 ARG QD 0.000 . 6.190 3.862 2.347 5.549 . 0 0 "[ . 1 .]" 1
745 1 5 ASP HA 1 49 HIS HE1 0.000 . 4.010 3.901 3.702 4.029 0.019 11 0 "[ . 1 .]" 1
746 1 57 LYS HA 1 57 LYS QD 0.000 . 5.010 3.960 3.665 4.422 . 0 0 "[ . 1 .]" 1
747 1 53 ILE HA 1 76 TYR QE 0.000 . 7.630 5.242 4.785 5.883 . 0 0 "[ . 1 .]" 1
748 1 62 PHE QD 1 68 ILE HB 0.000 . 7.530 3.241 2.838 3.885 . 0 0 "[ . 1 .]" 1
749 1 12 HIS HE1 1 51 GLU QG 0.000 . 5.660 3.317 2.089 4.744 . 0 0 "[ . 1 .]" 1
750 1 76 TYR QE 1 80 LYS QD 0.000 . 8.510 3.885 2.767 5.177 . 0 0 "[ . 1 .]" 1
751 1 76 TYR QD 1 80 LYS QD 0.000 . 8.520 4.915 4.100 5.871 . 0 0 "[ . 1 .]" 1
752 1 52 MET HA 1 52 MET HG3 0.000 . 3.980 2.571 2.448 2.988 . 0 0 "[ . 1 .]" 1
753 1 73 THR HB 1 76 TYR QB 0.000 . 6.380 4.755 4.708 4.841 . 0 0 "[ . 1 .]" 1
754 1 48 LYS QB 1 49 HIS HD2 0.000 . 5.170 4.165 3.830 4.381 . 0 0 "[ . 1 .]" 1
755 1 57 LYS QD 1 76 TYR QE 0.000 . 7.180 2.579 1.966 4.092 . 0 0 "[ . 1 .]" 1
756 1 52 MET HA 1 52 MET HG2 0.000 . 3.980 2.859 2.490 3.003 . 0 0 "[ . 1 .]" 1
757 1 65 SER HB2 1 68 ILE HB 0.000 . 4.760 2.841 2.023 3.284 . 0 0 "[ . 1 .]" 1
758 1 65 SER HB3 1 68 ILE HB 0.000 . 4.760 2.128 1.929 3.583 . 0 0 "[ . 1 .]" 1
759 1 13 ALA HA 1 16 LYS HE3 0.000 . 5.500 4.563 3.233 5.467 . 0 0 "[ . 1 .]" 1
760 1 13 ALA HA 1 16 LYS HE2 0.000 . 5.500 4.253 3.087 5.250 . 0 0 "[ . 1 .]" 1
761 1 16 LYS HA 1 16 LYS HG3 0.000 . 3.580 3.141 2.501 3.580 . 0 0 "[ . 1 .]" 1
762 1 20 LYS QB 1 23 ASN HB2 0.000 . 6.380 3.183 3.031 3.563 . 0 0 "[ . 1 .]" 1
763 1 43 MET HA 1 83 PHE QE 0.000 . 7.620 2.750 1.998 3.645 . 0 0 "[ . 1 .]" 1
764 1 78 LYS HA 1 78 LYS QE 0.000 . 5.690 4.182 3.766 4.419 . 0 0 "[ . 1 .]" 1
765 1 78 LYS QE 1 79 PHE QR 0.000 . 8.860 3.557 2.805 4.514 . 0 0 "[ . 1 .]" 1
766 1 52 MET QG 1 55 THR HA 0.000 . 6.380 5.772 5.632 5.821 . 0 0 "[ . 1 .]" 1
767 1 30 ILE HB 1 30 ILE MD 0.000 . 3.490 2.330 2.034 2.380 . 0 0 "[ . 1 .]" 1
768 1 19 LEU HA 1 19 LEU MD2 0.000 . 4.050 1.929 1.789 1.992 . 0 0 "[ . 1 .]" 1
769 1 36 LEU HA 1 36 LEU MD1 0.000 . 3.430 2.065 1.936 2.416 . 0 0 "[ . 1 .]" 1
770 1 11 ILE HA 1 11 ILE MD 0.000 . 4.200 3.638 3.595 3.734 . 0 0 "[ . 1 .]" 1
771 1 11 ILE MD 1 36 LEU MD1 0.000 . 5.170 1.741 1.660 1.847 . 0 0 "[ . 1 .]" 1
772 1 21 ILE HA 1 21 ILE MD 0.000 . 4.360 3.685 3.657 3.705 . 0 0 "[ . 1 .]" 1
773 1 53 ILE HA 1 53 ILE MD 0.000 . 4.610 3.697 3.618 3.735 . 0 0 "[ . 1 .]" 1
774 1 39 LEU HA 1 39 LEU MD2 0.000 . 3.740 2.030 1.899 2.216 . 0 0 "[ . 1 .]" 1
775 1 53 ILE MG 1 76 TYR QE 0.000 . 6.680 2.873 2.418 3.371 . 0 0 "[ . 1 .]" 1
776 1 19 LEU MD2 1 62 PHE HZ 0.000 . 5.160 2.962 2.706 4.058 . 0 0 "[ . 1 .]" 1
777 1 8 LEU MD1 1 49 HIS HD2 0.000 . 4.950 2.145 1.961 2.275 . 0 0 "[ . 1 .]" 1
778 1 41 VAL MG2 1 79 PHE QD 0.000 . 8.650 5.872 5.408 6.071 . 0 0 "[ . 1 .]" 1
779 1 5 ASP HA 1 8 LEU MD1 0.000 . 4.790 3.303 3.000 3.520 . 0 0 "[ . 1 .]" 1
780 1 4 MET HG2 1 8 LEU MD1 0.000 . 5.380 3.709 3.244 4.235 . 0 0 "[ . 1 .]" 1
781 1 8 LEU MD2 1 39 LEU HG 0.000 . 5.720 4.560 4.503 4.643 . 0 0 "[ . 1 .]" 1
782 1 5 ASP HA 1 8 LEU MD2 0.000 . 6.530 5.181 4.925 5.423 . 0 0 "[ . 1 .]" 1
783 1 11 ILE MG 1 12 HIS HA 0.000 . 5.660 3.135 3.042 3.293 . 0 0 "[ . 1 .]" 1
784 1 11 ILE MG 1 36 LEU HA 0.000 . 5.690 4.377 4.126 4.527 . 0 0 "[ . 1 .]" 1
785 1 11 ILE MG 1 15 ILE HB 0.000 . 4.300 3.475 3.463 3.486 . 0 0 "[ . 1 .]" 1
786 1 8 LEU HA 1 11 ILE MG 0.000 . 6.530 3.905 3.739 4.080 . 0 0 "[ . 1 .]" 1
787 1 8 LEU HA 1 11 ILE MD 0.000 . 5.230 2.113 1.969 2.327 . 0 0 "[ . 1 .]" 1
788 1 11 ILE MD 1 36 LEU HA 0.000 . 4.670 2.069 1.926 2.225 . 0 0 "[ . 1 .]" 1
789 1 11 ILE MD 1 35 GLU HG3 0.000 . 4.980 1.957 1.893 2.061 . 0 0 "[ . 1 .]" 1
790 1 11 ILE MD 1 35 GLU HG2 0.000 . 4.980 3.126 2.882 3.442 . 0 0 "[ . 1 .]" 1
791 1 12 HIS HA 1 15 ILE MD 0.000 . 4.140 2.908 2.754 3.013 . 0 0 "[ . 1 .]" 1
792 1 10 ARG HA 1 13 ALA MB 0.000 . 4.110 2.593 2.417 2.837 . 0 0 "[ . 1 .]" 1
793 1 12 HIS HD2 1 15 ILE MG 0.000 . 5.070 3.516 3.214 3.698 . 0 0 "[ . 1 .]" 1
794 1 59 ILE MG 1 62 PHE QD 0.000 . 8.650 3.037 2.971 3.236 . 0 0 "[ . 1 .]" 1
795 1 15 ILE MG 1 16 LYS HA 0.000 . 5.230 3.479 3.325 3.636 . 0 0 "[ . 1 .]" 1
796 1 15 ILE HA 1 15 ILE MD 0.000 . 4.390 3.766 3.757 3.776 . 0 0 "[ . 1 .]" 1
797 1 21 ILE MG 1 22 ASP QB 0.000 . 7.400 4.714 4.550 4.987 . 0 0 "[ . 1 .]" 1
798 1 27 ASN HA 1 30 ILE MG 0.000 . 6.530 3.282 3.082 3.346 . 0 0 "[ . 1 .]" 1
799 1 37 ALA MB 1 75 LEU MD2 0.000 . 5.570 2.576 2.118 3.013 . 0 0 "[ . 1 .]" 1
800 1 30 ILE HA 1 33 LEU MD1 0.000 . 3.770 2.082 1.910 2.324 . 0 0 "[ . 1 .]" 1
801 1 33 LEU MD2 1 75 LEU MD1 0.000 . 6.100 2.999 2.461 3.492 . 0 0 "[ . 1 .]" 1
802 1 36 LEU MD2 1 79 PHE QE 0.000 . 7.720 3.071 2.010 3.794 . 0 0 "[ . 1 .]" 1
803 1 37 ALA HA 1 75 LEU MD2 0.000 . 4.140 2.124 1.918 2.399 . 0 0 "[ . 1 .]" 1
804 1 39 LEU HB3 1 41 VAL MG2 0.000 . 4.760 2.131 1.933 2.797 . 0 0 "[ . 1 .]" 1
805 1 39 LEU HB2 1 41 VAL MG2 0.000 . 4.760 3.404 2.638 3.620 . 0 0 "[ . 1 .]" 1
806 1 7 ARG QD 1 39 LEU MD1 0.000 . 7.400 3.191 1.949 4.494 . 0 0 "[ . 1 .]" 1
807 1 36 LEU HA 1 39 LEU MD1 0.000 . 4.820 1.961 1.921 2.067 . 0 0 "[ . 1 .]" 1
808 1 73 THR MG 1 77 ASN HA 0.000 . 5.290 4.222 4.138 4.300 . 0 0 "[ . 1 .]" 1
809 1 73 THR MG 1 76 TYR QB 0.000 . 7.090 3.406 3.221 3.576 . 0 0 "[ . 1 .]" 1
810 1 41 VAL MG1 1 46 ALA HA 0.000 . 6.310 3.174 2.954 3.369 . 0 0 "[ . 1 .]" 1
811 1 46 ALA HA 1 53 ILE MD 0.000 . 6.530 4.993 4.657 5.179 . 0 0 "[ . 1 .]" 1
812 1 50 THR HA 1 53 ILE MD 0.000 . 4.330 2.902 2.737 3.130 . 0 0 "[ . 1 .]" 1
813 1 54 THR MG 1 58 LYS QE 0.000 . 6.130 2.717 1.785 4.364 . 0 0 "[ . 1 .]" 1
814 1 50 THR MG 1 83 PHE HZ 0.000 . 6.060 4.299 4.026 4.539 . 0 0 "[ . 1 .]" 1
815 1 53 ILE MG 1 79 PHE HB3 0.000 . 5.600 3.283 2.958 3.416 . 0 0 "[ . 1 .]" 1
816 1 53 ILE MG 1 79 PHE HB2 0.000 . 5.600 4.234 3.996 4.465 . 0 0 "[ . 1 .]" 1
817 1 53 ILE MD 1 79 PHE HB2 0.000 . 5.160 4.096 4.024 4.211 . 0 0 "[ . 1 .]" 1
818 1 55 THR HA 1 56 LEU MD2 0.000 . 6.530 5.278 5.266 5.289 . 0 0 "[ . 1 .]" 1
819 1 52 MET HA 1 55 THR MG 0.000 . 5.690 3.668 3.582 3.888 . 0 0 "[ . 1 .]" 1
820 1 15 ILE HB 1 55 THR MG 0.000 . 4.950 3.740 3.356 3.887 . 0 0 "[ . 1 .]" 1
821 1 55 THR HB 1 56 LEU MD2 0.000 . 6.530 3.506 3.438 3.696 . 0 0 "[ . 1 .]" 1
822 1 15 ILE MG 1 55 THR MG 0.000 . 5.390 2.663 1.923 3.013 . 0 0 "[ . 1 .]" 1
823 1 56 LEU MD1 1 79 PHE QE 0.000 . 7.660 3.986 3.147 4.433 . 0 0 "[ . 1 .]" 1
824 1 62 PHE HB3 1 68 ILE MG 0.000 . 6.530 3.388 2.989 3.926 . 0 0 "[ . 1 .]" 1
825 1 41 VAL MG1 1 79 PHE QD 0.000 . 8.650 4.766 3.877 5.316 . 0 0 "[ . 1 .]" 1
826 1 65 SER HB2 1 68 ILE MD 0.000 . 5.230 2.964 2.278 4.405 . 0 0 "[ . 1 .]" 1
827 1 19 LEU MD2 1 68 ILE MD 0.000 . 6.660 2.607 1.894 3.462 . 0 0 "[ . 1 .]" 1
828 1 41 VAL HA 1 42 THR MG 0.000 . 6.530 3.387 3.236 3.539 . 0 0 "[ . 1 .]" 1
829 1 4 MET ME 1 41 VAL HA 0.000 . 5.660 3.909 2.784 4.724 . 0 0 "[ . 1 .]" 1
830 1 62 PHE QD 1 68 ILE MG 0.000 . 7.600 2.016 1.850 2.166 . 0 0 "[ . 1 .]" 1
831 1 19 LEU HA 1 24 LEU MD2 0.000 . 6.310 4.119 3.732 4.765 . 0 0 "[ . 1 .]" 1
832 1 24 LEU MD1 1 62 PHE QE 0.000 . 8.120 3.744 2.759 4.357 . 0 0 "[ . 1 .]" 1
833 1 27 ASN HA 1 30 ILE MD 0.000 . 4.140 2.381 2.195 2.745 . 0 0 "[ . 1 .]" 1
834 1 62 PHE HB2 1 64 VAL MG1 0.000 . 5.810 4.646 4.631 4.655 . 0 0 "[ . 1 .]" 1
835 1 62 PHE HB2 1 68 ILE MG 0.000 . 6.530 4.414 3.863 4.863 . 0 0 "[ . 1 .]" 1
836 1 4 MET HA 1 4 MET ME 0.000 . 3.710 2.566 1.873 3.043 . 0 0 "[ . 1 .]" 1
837 1 4 MET ME 1 8 LEU MD2 0.000 . 7.560 4.801 3.515 5.201 . 0 0 "[ . 1 .]" 1
838 1 4 MET ME 1 39 LEU QD 0.000 . 6.920 2.218 1.679 2.827 . 0 0 "[ . 1 .]" 1
839 1 4 MET ME 1 41 VAL QG 0.000 . 8.190 2.852 2.144 3.273 . 0 0 "[ . 1 .]" 1
840 1 34 ASP HA 1 37 ALA MB 0.000 . 3.890 2.256 2.110 2.349 . 0 0 "[ . 1 .]" 1
841 1 7 ARG QD 1 39 LEU MD2 0.000 . 5.640 2.617 1.782 3.734 . 0 0 "[ . 1 .]" 1
842 1 8 LEU MD2 1 36 LEU MD1 0.000 . 5.420 1.731 1.657 1.824 . 0 0 "[ . 1 .]" 1
843 1 19 LEU MD2 1 29 CYS HB3 0.000 . 6.280 4.343 3.983 4.695 . 0 0 "[ . 1 .]" 1
844 1 62 PHE QD 1 64 VAL MG1 0.000 . 8.590 2.994 2.954 3.017 . 0 0 "[ . 1 .]" 1
845 1 62 PHE QE 1 64 VAL MG2 0.000 . 8.650 4.053 3.962 4.167 . 0 0 "[ . 1 .]" 1
846 1 11 ILE MG 1 32 ALA MB 0.000 . 5.700 2.011 1.878 2.306 . 0 0 "[ . 1 .]" 1
847 1 37 ALA HA 1 75 LEU MD1 0.000 . 4.080 3.229 3.153 3.320 . 0 0 "[ . 1 .]" 1
848 1 30 ILE HA 1 30 ILE MD 0.000 . 4.670 3.781 3.613 3.813 . 0 0 "[ . 1 .]" 1
849 1 16 LYS HA 1 19 LEU MD1 0.000 . 6.530 4.008 3.499 5.224 . 0 0 "[ . 1 .]" 1
850 1 74 MET HA 1 74 MET ME 0.000 . 4.760 3.224 2.112 4.019 . 0 0 "[ . 1 .]" 1
851 1 8 LEU MD1 1 52 MET ME 0.000 . 6.940 2.762 2.290 3.149 . 0 0 "[ . 1 .]" 1
852 1 8 LEU MD2 1 52 MET ME 0.000 . 6.470 2.161 1.833 2.604 . 0 0 "[ . 1 .]" 1
853 1 36 LEU QD 1 52 MET ME 0.000 . 7.200 2.353 1.937 3.018 . 0 0 "[ . 1 .]" 1
854 1 43 MET HA 1 46 ALA MB 0.000 . 4.230 2.479 2.248 2.952 . 0 0 "[ . 1 .]" 1
855 1 21 ILE MG 1 22 ASP HA 0.000 . 6.340 3.748 3.666 3.866 . 0 0 "[ . 1 .]" 1
856 1 79 PHE QD 1 82 MET ME 0.000 . 7.690 3.447 2.640 4.385 . 0 0 "[ . 1 .]" 1
857 1 79 PHE HA 1 82 MET ME 0.000 . 5.010 2.656 1.882 3.625 . 0 0 "[ . 1 .]" 1
858 1 42 THR HA 1 82 MET ME 0.000 . 5.690 2.964 1.836 4.061 . 0 0 "[ . 1 .]" 1
859 1 63 LYS HA 1 69 MET ME 0.000 . 4.610 1.962 1.883 2.139 . 0 0 "[ . 1 .]" 1
860 1 66 GLN HA 1 69 MET ME 0.000 . 4.390 3.342 2.650 3.571 . 0 0 "[ . 1 .]" 1
861 1 43 MET ME 1 83 PHE QD 0.000 . 8.650 3.643 2.359 4.629 . 0 0 "[ . 1 .]" 1
862 1 43 MET ME 1 83 PHE QE 0.000 . 8.650 3.899 3.078 4.668 . 0 0 "[ . 1 .]" 1
863 1 43 MET ME 1 83 PHE HZ 0.000 . 6.530 4.999 4.114 5.381 . 0 0 "[ . 1 .]" 1
864 1 63 LYS QE 1 69 MET ME 0.000 . 7.400 3.726 2.355 4.866 . 0 0 "[ . 1 .]" 1
865 1 43 MET ME 1 83 PHE HA 0.000 . 6.530 3.177 1.947 4.692 . 0 0 "[ . 1 .]" 1
866 1 4 MET HA 1 4 MET QB 0.000 . 2.690 2.383 2.310 2.467 . 0 0 "[ . 1 .]" 1
867 1 4 MET HA 1 7 ARG QB 0.000 . 4.980 3.063 2.717 3.347 . 0 0 "[ . 1 .]" 1
868 1 4 MET QB 1 8 LEU MD1 0.000 . 7.410 4.447 4.228 4.930 . 0 0 "[ . 1 .]" 1
869 1 4 MET QG 1 8 LEU HG 0.000 . 5.070 3.266 2.785 3.717 . 0 0 "[ . 1 .]" 1
870 1 4 MET QG 1 8 LEU MD1 0.000 . 4.820 3.025 2.565 3.486 . 0 0 "[ . 1 .]" 1
871 1 4 MET QG 1 8 LEU MD2 0.000 . 7.410 4.295 3.762 4.775 . 0 0 "[ . 1 .]" 1
872 1 4 MET ME 1 39 LEU QB 0.000 . 6.630 3.829 1.895 4.649 . 0 0 "[ . 1 .]" 1
873 1 5 ASP HA 1 8 LEU QB 0.000 . 3.790 2.824 2.749 2.877 . 0 0 "[ . 1 .]" 1
874 1 6 SER HA 1 9 GLN QB 0.000 . 2.570 2.402 2.319 2.439 . 0 0 "[ . 1 .]" 1
875 1 7 ARG H 1 7 ARG QB 0.000 . 3.480 2.188 1.946 2.420 . 0 0 "[ . 1 .]" 1
876 1 7 ARG HA 1 7 ARG QG 0.000 . 3.560 2.279 1.976 2.812 . 0 0 "[ . 1 .]" 1
877 1 8 LEU QB 1 9 GLN H 0.000 . 3.600 2.495 2.433 2.598 . 0 0 "[ . 1 .]" 1
878 1 8 LEU QB 1 9 GLN HA 0.000 . 6.010 3.949 3.926 3.969 . 0 0 "[ . 1 .]" 1
879 1 8 LEU QB 1 49 HIS HD2 0.000 . 6.380 3.143 2.929 3.299 . 0 0 "[ . 1 .]" 1
880 1 8 LEU QB 1 49 HIS HE1 0.000 . 4.930 2.888 2.742 3.078 . 0 0 "[ . 1 .]" 1
881 1 8 LEU QB 1 52 MET ME 0.000 . 5.050 2.553 1.819 3.141 . 0 0 "[ . 1 .]" 1
882 1 8 LEU MD1 1 52 MET QG 0.000 . 7.410 5.383 5.354 5.411 . 0 0 "[ . 1 .]" 1
883 1 9 GLN H 1 9 GLN QB 0.000 . 2.960 1.969 1.943 2.009 . 0 0 "[ . 1 .]" 1
884 1 9 GLN H 1 9 GLN QG 0.000 . 4.390 3.607 3.484 3.749 . 0 0 "[ . 1 .]" 1
885 1 9 GLN HA 1 9 GLN QG 0.000 . 3.470 2.161 1.953 2.284 . 0 0 "[ . 1 .]" 1
886 1 9 GLN QG 1 49 HIS HE1 0.000 . 3.570 2.446 2.289 2.648 . 0 0 "[ . 1 .]" 1
887 1 9 GLN QE 1 49 HIS HE1 0.000 . 5.180 3.809 2.539 4.631 . 0 0 "[ . 1 .]" 1
888 1 10 ARG QB 1 11 ILE H 0.000 . 4.070 2.340 2.252 2.427 . 0 0 "[ . 1 .]" 1
889 1 11 ILE HA 1 35 GLU QG 0.000 . 4.520 4.069 3.943 4.119 . 0 0 "[ . 1 .]" 1
890 1 11 ILE MG 1 36 LEU QB 0.000 . 5.490 2.410 2.186 2.614 . 0 0 "[ . 1 .]" 1
891 1 11 ILE MD 1 35 GLU QG 0.000 . 4.340 1.937 1.873 2.046 . 0 0 "[ . 1 .]" 1
892 1 12 HIS H 1 12 HIS QB 0.000 . 2.900 2.094 2.065 2.126 . 0 0 "[ . 1 .]" 1
893 1 12 HIS QB 1 13 ALA H 0.000 . 3.170 2.181 2.074 2.279 . 0 0 "[ . 1 .]" 1
894 1 12 HIS HD2 1 16 LYS QG 0.000 . 4.840 2.145 1.976 2.568 . 0 0 "[ . 1 .]" 1
895 1 12 HIS HE1 1 16 LYS QG 0.000 . 5.330 4.608 4.406 4.822 . 0 0 "[ . 1 .]" 1
896 1 13 ALA HA 1 16 LYS QE 0.000 . 5.100 3.735 3.043 4.610 . 0 0 "[ . 1 .]" 1
897 1 15 ILE H 1 15 ILE QG 0.000 . 4.830 2.123 2.044 2.237 . 0 0 "[ . 1 .]" 1
898 1 15 ILE MG 1 59 ILE QG 0.000 . 4.680 3.294 2.830 3.566 . 0 0 "[ . 1 .]" 1
899 1 16 LYS H 1 16 LYS QG 0.000 . 3.760 2.663 2.405 3.056 . 0 0 "[ . 1 .]" 1
900 1 16 LYS HA 1 16 LYS QG 0.000 . 3.400 2.199 2.033 2.311 . 0 0 "[ . 1 .]" 1
901 1 17 ASN QB 1 18 SER H 0.000 . 3.840 2.869 2.622 3.004 . 0 0 "[ . 1 .]" 1
902 1 18 SER H 1 19 LEU QB 0.000 . 5.160 4.383 4.313 4.404 . 0 0 "[ . 1 .]" 1
903 1 19 LEU H 1 19 LEU QB 0.000 . 3.170 2.285 2.118 2.335 . 0 0 "[ . 1 .]" 1
904 1 19 LEU MD2 1 29 CYS QB 0.000 . 5.930 3.586 3.280 3.925 . 0 0 "[ . 1 .]" 1
905 1 20 LYS H 1 21 ILE QG 0.000 . 4.930 4.677 4.631 4.714 . 0 0 "[ . 1 .]" 1
906 1 21 ILE HA 1 21 ILE QG 0.000 . 3.640 2.265 2.246 2.285 . 0 0 "[ . 1 .]" 1
907 1 21 ILE QG 1 22 ASP H 0.000 . 5.490 3.999 3.975 4.025 . 0 0 "[ . 1 .]" 1
908 1 21 ILE QG 1 23 ASN H 0.000 . 6.380 5.093 5.073 5.118 . 0 0 "[ . 1 .]" 1
909 1 23 ASN H 1 23 ASN QB 0.000 . 3.290 2.598 2.556 2.657 . 0 0 "[ . 1 .]" 1
910 1 23 ASN QB 1 24 LEU H 0.000 . 4.290 3.841 3.801 3.918 . 0 0 "[ . 1 .]" 1
911 1 26 VAL H 1 27 ASN QD 0.000 . 6.370 4.704 3.396 5.709 . 0 0 "[ . 1 .]" 1
912 1 26 VAL HA 1 29 CYS QB 0.000 . 3.490 3.037 2.974 3.142 . 0 0 "[ . 1 .]" 1
913 1 26 VAL QG 1 27 ASN HA 0.000 . 7.870 3.717 3.657 3.779 . 0 0 "[ . 1 .]" 1
914 1 26 VAL QG 1 62 PHE HZ 0.000 . 5.720 3.719 3.397 3.835 . 0 0 "[ . 1 .]" 1
915 1 28 ARG H 1 28 ARG QD 0.000 . 5.110 3.548 2.592 4.348 . 0 0 "[ . 1 .]" 1
916 1 29 CYS H 1 29 CYS QB 0.000 . 2.830 2.107 1.952 2.176 . 0 0 "[ . 1 .]" 1
917 1 29 CYS QB 1 30 ILE H 0.000 . 3.640 2.132 2.059 2.187 . 0 0 "[ . 1 .]" 1
918 1 29 CYS QB 1 68 ILE MD 0.000 . 5.020 3.025 2.113 3.468 . 0 0 "[ . 1 .]" 1
919 1 30 ILE HA 1 33 LEU QB 0.000 . 3.590 2.617 2.526 2.664 . 0 0 "[ . 1 .]" 1
920 1 31 GLU H 1 31 GLU QG 0.000 . 4.100 3.214 2.401 3.846 . 0 0 "[ . 1 .]" 1
921 1 31 GLU HA 1 34 ASP QB 0.000 . 4.060 2.995 2.855 3.150 . 0 0 "[ . 1 .]" 1
922 1 32 ALA MB 1 35 GLU QG 0.000 . 4.990 3.535 3.290 3.707 . 0 0 "[ . 1 .]" 1
923 1 33 LEU H 1 33 LEU QB 0.000 . 3.020 2.519 2.496 2.544 . 0 0 "[ . 1 .]" 1
924 1 33 LEU QB 1 34 ASP H 0.000 . 3.420 2.514 2.424 2.600 . 0 0 "[ . 1 .]" 1
925 1 34 ASP H 1 34 ASP QB 0.000 . 2.910 2.154 2.049 2.209 . 0 0 "[ . 1 .]" 1
926 1 34 ASP QB 1 35 GLU H 0.000 . 3.860 2.298 2.207 2.418 . 0 0 "[ . 1 .]" 1
927 1 36 LEU H 1 36 LEU QB 0.000 . 2.920 2.212 2.190 2.228 . 0 0 "[ . 1 .]" 1
928 1 36 LEU QB 1 37 ALA H 0.000 . 3.550 2.550 2.385 2.703 . 0 0 "[ . 1 .]" 1
929 1 39 LEU H 1 39 LEU QB 0.000 . 3.200 2.006 1.967 2.504 . 0 0 "[ . 1 .]" 1
930 1 39 LEU QB 1 41 VAL MG2 0.000 . 4.550 2.090 1.922 2.414 . 0 0 "[ . 1 .]" 1
931 1 40 GLN QG 1 41 VAL H 0.000 . 6.380 4.100 3.301 4.788 . 0 0 "[ . 1 .]" 1
932 1 41 VAL MG1 1 45 GLN QB 0.000 . 5.180 2.705 2.040 3.163 . 0 0 "[ . 1 .]" 1
933 1 41 VAL MG1 1 45 GLN QG 0.000 . 6.850 4.016 2.885 4.587 . 0 0 "[ . 1 .]" 1
934 1 42 THR H 1 45 GLN QB 0.000 . 4.730 2.606 2.187 2.920 . 0 0 "[ . 1 .]" 1
935 1 42 THR MG 1 44 GLN QG 0.000 . 7.410 3.837 3.253 4.365 . 0 0 "[ . 1 .]" 1
936 1 45 GLN H 1 45 GLN QB 0.000 . 3.730 2.224 2.006 2.327 . 0 0 "[ . 1 .]" 1
937 1 45 GLN QB 1 49 HIS HD2 0.000 . 6.380 4.442 4.153 5.106 . 0 0 "[ . 1 .]" 1
938 1 47 GLN H 1 47 GLN QB 0.000 . 2.890 1.933 1.929 1.937 . 0 0 "[ . 1 .]" 1
939 1 47 GLN H 1 47 GLN QG 0.000 . 3.650 3.328 3.282 3.350 . 0 0 "[ . 1 .]" 1
940 1 47 GLN HA 1 47 GLN QG 0.000 . 2.810 1.942 1.933 1.953 . 0 0 "[ . 1 .]" 1
941 1 47 GLN QG 1 50 THR MG 0.000 . 7.410 3.928 3.566 4.215 . 0 0 "[ . 1 .]" 1
942 1 47 GLN QG 1 83 PHE QD 0.000 . 8.500 4.337 3.838 4.899 . 0 0 "[ . 1 .]" 1
943 1 47 GLN QG 1 83 PHE QE 0.000 . 7.490 2.995 2.120 3.889 . 0 0 "[ . 1 .]" 1
944 1 47 GLN QG 1 83 PHE HZ 0.000 . 5.250 4.043 3.728 4.301 . 0 0 "[ . 1 .]" 1
945 1 49 HIS H 1 49 HIS QB 0.000 . 3.040 2.055 2.036 2.073 . 0 0 "[ . 1 .]" 1
946 1 49 HIS QB 1 52 MET ME 0.000 . 5.580 2.632 1.964 3.335 . 0 0 "[ . 1 .]" 1
947 1 50 THR HA 1 53 ILE QG 0.000 . 6.380 3.437 3.040 3.817 . 0 0 "[ . 1 .]" 1
948 1 53 ILE H 1 53 ILE QG 0.000 . 4.860 2.215 2.016 2.393 . 0 0 "[ . 1 .]" 1
949 1 53 ILE MG 1 79 PHE QB 0.000 . 5.300 3.176 2.885 3.282 . 0 0 "[ . 1 .]" 1
950 1 53 ILE QG 1 54 THR H 0.000 . 6.380 4.129 3.969 4.243 . 0 0 "[ . 1 .]" 1
951 1 53 ILE MD 1 79 PHE QB 0.000 . 4.940 2.568 2.451 2.740 . 0 0 "[ . 1 .]" 1
952 1 56 LEU H 1 56 LEU QB 0.000 . 3.260 2.357 2.329 2.395 . 0 0 "[ . 1 .]" 1
953 1 56 LEU HA 1 57 LYS QG 0.000 . 6.380 5.306 5.017 5.653 . 0 0 "[ . 1 .]" 1
954 1 56 LEU HA 1 59 ILE QG 0.000 . 4.400 3.246 2.562 3.664 . 0 0 "[ . 1 .]" 1
955 1 56 LEU QB 1 57 LYS H 0.000 . 3.600 2.359 2.246 2.408 . 0 0 "[ . 1 .]" 1
956 1 56 LEU QB 1 58 LYS H 0.000 . 4.860 4.366 4.312 4.409 . 0 0 "[ . 1 .]" 1
957 1 56 LEU QB 1 76 TYR QE 0.000 . 8.510 4.528 4.048 5.011 . 0 0 "[ . 1 .]" 1
958 1 57 LYS QG 1 76 TYR QD 0.000 . 8.520 3.387 2.845 4.747 . 0 0 "[ . 1 .]" 1
959 1 57 LYS QG 1 76 TYR QE 0.000 . 8.510 2.588 2.048 4.155 . 0 0 "[ . 1 .]" 1
960 1 58 LYS HA 1 58 LYS QG 0.000 . 3.640 2.211 1.930 2.701 . 0 0 "[ . 1 .]" 1
961 1 59 ILE H 1 59 ILE QG 0.000 . 3.260 1.999 1.880 2.072 . 0 0 "[ . 1 .]" 1
962 1 59 ILE HA 1 62 PHE QB 0.000 . 3.300 2.707 2.536 2.847 . 0 0 "[ . 1 .]" 1
963 1 59 ILE QG 1 60 ARG H 0.000 . 6.020 4.201 4.111 4.259 . 0 0 "[ . 1 .]" 1
964 1 60 ARG H 1 60 ARG QB 0.000 . 3.570 2.130 1.980 2.334 . 0 0 "[ . 1 .]" 1
965 1 61 ARG H 1 61 ARG QB 0.000 . 3.040 2.112 1.974 2.497 . 0 0 "[ . 1 .]" 1
966 1 62 PHE H 1 62 PHE QB 0.000 . 2.830 2.158 2.138 2.198 . 0 0 "[ . 1 .]" 1
967 1 62 PHE H 1 69 MET QG 0.000 . 4.600 4.064 3.826 4.159 . 0 0 "[ . 1 .]" 1
968 1 62 PHE QB 1 64 VAL MG1 0.000 . 5.540 4.008 3.940 4.035 . 0 0 "[ . 1 .]" 1
969 1 62 PHE QB 1 68 ILE MG 0.000 . 6.320 3.283 2.894 3.770 . 0 0 "[ . 1 .]" 1
970 1 62 PHE QD 1 65 SER QB 0.000 . 8.500 2.989 2.484 4.126 . 0 0 "[ . 1 .]" 1
971 1 63 LYS QG 1 69 MET QG 0.000 . 7.260 4.349 2.842 5.212 . 0 0 "[ . 1 .]" 1
972 1 65 SER QB 1 68 ILE H 0.000 . 5.260 2.813 2.193 3.258 . 0 0 "[ . 1 .]" 1
973 1 65 SER QB 1 68 ILE HB 0.000 . 4.160 1.998 1.871 2.784 . 0 0 "[ . 1 .]" 1
974 1 67 VAL QG 1 68 ILE HA 0.000 . 6.940 3.549 3.004 3.737 . 0 0 "[ . 1 .]" 1
975 1 68 ILE H 1 68 ILE QG 0.000 . 4.070 2.500 1.963 2.779 . 0 0 "[ . 1 .]" 1
976 1 68 ILE HA 1 68 ILE QG 0.000 . 3.670 2.341 2.196 2.856 . 0 0 "[ . 1 .]" 1
977 1 69 MET H 1 69 MET QG 0.000 . 3.060 2.666 2.116 2.811 . 0 0 "[ . 1 .]" 1
978 1 69 MET HA 1 69 MET QG 0.000 . 3.080 2.111 2.016 2.451 . 0 0 "[ . 1 .]" 1
979 1 70 GLU H 1 70 GLU QB 0.000 . 3.000 1.950 1.943 1.968 . 0 0 "[ . 1 .]" 1
980 1 70 GLU H 1 70 GLU QG 0.000 . 3.330 3.042 2.901 3.087 . 0 0 "[ . 1 .]" 1
981 1 70 GLU QB 1 71 LYS H 0.000 . 3.740 2.377 2.162 3.269 . 0 0 "[ . 1 .]" 1
982 1 71 LYS QG 1 72 SER H 0.000 . 6.380 4.340 4.045 4.541 . 0 0 "[ . 1 .]" 1
983 1 74 MET HA 1 74 MET QG 0.000 . 3.150 2.093 1.953 2.328 . 0 0 "[ . 1 .]" 1
984 1 74 MET HA 1 77 ASN QB 0.000 . 3.970 3.133 2.987 3.251 . 0 0 "[ . 1 .]" 1
985 1 75 LEU H 1 75 LEU QB 0.000 . 2.940 2.066 2.032 2.086 . 0 0 "[ . 1 .]" 1
986 1 75 LEU QB 1 76 TYR H 0.000 . 3.640 2.537 2.505 2.578 . 0 0 "[ . 1 .]" 1
987 1 77 ASN H 1 77 ASN QB 0.000 . 2.880 2.171 2.151 2.180 . 0 0 "[ . 1 .]" 1
988 1 77 ASN HA 1 80 LYS QB 0.000 . 3.290 2.889 2.668 3.028 . 0 0 "[ . 1 .]" 1
989 1 77 ASN QD 1 78 LYS QG 0.000 . 4.870 3.438 2.606 3.727 . 0 0 "[ . 1 .]" 1
990 1 77 ASN HD21 1 78 LYS HG2 0.000 . 6.060 4.286 3.491 4.879 . 0 0 "[ . 1 .]" 1
991 1 77 ASN HD22 1 78 LYS HG2 0.000 . 6.060 5.518 4.720 6.070 0.010 11 0 "[ . 1 .]" 1
992 1 78 LYS H 1 78 LYS QG 0.000 . 4.680 3.398 2.258 3.740 . 0 0 "[ . 1 .]" 1
993 1 78 LYS QG 1 79 PHE H 0.000 . 5.750 4.397 3.959 4.558 . 0 0 "[ . 1 .]" 1
994 1 79 PHE H 1 79 PHE QB 0.000 . 2.900 1.974 1.949 2.037 . 0 0 "[ . 1 .]" 1
995 1 79 PHE HA 1 82 MET QG 0.000 . 5.070 3.777 2.033 4.550 . 0 0 "[ . 1 .]" 1
996 1 80 LYS QB 1 81 ASN H 0.000 . 4.170 2.060 1.943 2.234 . 0 0 "[ . 1 .]" 1
997 1 80 LYS QG 1 84 LEU QB 0.000 . 7.260 2.954 2.398 3.816 . 0 0 "[ . 1 .]" 1
998 1 81 ASN H 1 84 LEU QD 0.000 . 8.100 4.390 4.063 4.948 . 0 0 "[ . 1 .]" 1
999 1 81 ASN HA 1 84 LEU QB 0.000 . 3.850 2.342 2.167 2.504 . 0 0 "[ . 1 .]" 1
1000 1 81 ASN HA 1 84 LEU QD 0.000 . 5.100 3.132 2.895 3.916 . 0 0 "[ . 1 .]" 1
1001 1 82 MET H 1 82 MET QG 0.000 . 3.840 2.756 1.957 3.495 . 0 0 "[ . 1 .]" 1
1002 1 82 MET H 1 83 PHE QB 0.000 . 5.620 4.271 4.092 4.358 . 0 0 "[ . 1 .]" 1
1003 1 82 MET H 1 84 LEU QD 0.000 . 8.100 5.492 5.301 5.814 . 0 0 "[ . 1 .]" 1
1004 1 82 MET HA 1 82 MET QG 0.000 . 3.720 2.412 1.989 3.313 . 0 0 "[ . 1 .]" 1
1005 1 82 MET QG 1 83 PHE H 0.000 . 6.380 3.836 2.124 4.428 . 0 0 "[ . 1 .]" 1
1006 1 82 MET QG 1 85 VAL QG 0.000 . 8.500 4.756 3.734 5.134 . 0 0 "[ . 1 .]" 1
1007 1 83 PHE H 1 83 PHE QB 0.000 . 3.030 2.093 2.073 2.115 . 0 0 "[ . 1 .]" 1
1008 1 83 PHE H 1 84 LEU QD 0.000 . 8.100 4.855 4.695 5.053 . 0 0 "[ . 1 .]" 1
1009 1 83 PHE QB 1 84 LEU H 0.000 . 3.760 3.362 3.307 3.412 . 0 0 "[ . 1 .]" 1
1010 1 84 LEU QB 1 85 VAL H 0.000 . 3.290 2.364 2.122 2.540 . 0 0 "[ . 1 .]" 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 56
_Distance_constraint_stats_list.Viol_count 343
_Distance_constraint_stats_list.Viol_total 166.302
_Distance_constraint_stats_list.Viol_max 0.103
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.0323
_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 7 ARG 0.979 0.066 5 0 "[ . 1 .]"
1 9 GLN 0.431 0.038 15 0 "[ . 1 .]"
1 10 ARG 0.438 0.045 3 0 "[ . 1 .]"
1 11 ILE 0.979 0.066 5 0 "[ . 1 .]"
1 12 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 13 ALA 0.431 0.038 15 0 "[ . 1 .]"
1 14 GLU 0.861 0.045 3 0 "[ . 1 .]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 18 SER 0.423 0.043 13 0 "[ . 1 .]"
1 26 VAL 0.041 0.041 14 0 "[ . 1 .]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 28 ARG 0.582 0.050 13 0 "[ . 1 .]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 30 ILE 1.319 0.103 13 0 "[ . 1 .]"
1 31 GLU 0.251 0.034 8 0 "[ . 1 .]"
1 32 ALA 0.582 0.050 13 0 "[ . 1 .]"
1 33 LEU 0.060 0.015 14 0 "[ . 1 .]"
1 34 ASP 1.699 0.103 13 0 "[ . 1 .]"
1 35 GLU 0.251 0.034 8 0 "[ . 1 .]"
1 36 LEU 0.000 0.000 12 0 "[ . 1 .]"
1 37 ALA 0.060 0.015 14 0 "[ . 1 .]"
1 38 SER 0.421 0.049 4 0 "[ . 1 .]"
1 42 THR 0.015 0.010 1 0 "[ . 1 .]"
1 46 ALA 0.015 0.010 1 0 "[ . 1 .]"
1 49 HIS 1.320 0.073 9 0 "[ . 1 .]"
1 50 THR 0.183 0.035 14 0 "[ . 1 .]"
1 52 MET 0.824 0.078 4 0 "[ . 1 .]"
1 53 ILE 1.783 0.073 9 0 "[ . 1 .]"
1 54 THR 0.635 0.069 14 0 "[ . 1 .]"
1 55 THR 0.379 0.060 14 0 "[ . 1 .]"
1 56 LEU 0.824 0.078 4 0 "[ . 1 .]"
1 57 LYS 0.463 0.045 13 0 "[ . 1 .]"
1 58 LYS 0.452 0.069 14 0 "[ . 1 .]"
1 59 ILE 0.379 0.060 14 0 "[ . 1 .]"
1 70 GLU 0.436 0.077 10 0 "[ . 1 .]"
1 71 LYS 0.259 0.033 12 0 "[ . 1 .]"
1 72 SER 0.009 0.007 10 0 "[ . 1 .]"
1 74 MET 0.436 0.077 10 0 "[ . 1 .]"
1 75 LEU 0.732 0.051 10 0 "[ . 1 .]"
1 76 TYR 0.009 0.007 10 0 "[ . 1 .]"
1 79 PHE 0.473 0.051 10 0 "[ . 1 .]"
1 80 LYS 1.126 0.093 14 0 "[ . 1 .]"
1 81 ASN 0.243 0.034 2 0 "[ . 1 .]"
1 84 LEU 1.126 0.093 14 0 "[ . 1 .]"
1 85 VAL 0.243 0.034 2 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ARG O 1 11 ILE H 0.000 . 2.000 2.053 2.039 2.066 0.066 5 0 "[ . 1 .]" 2
2 1 7 ARG O 1 11 ILE N 0.000 . 3.000 3.012 3.001 3.023 0.023 5 0 "[ . 1 .]" 2
3 1 9 GLN O 1 13 ALA H 0.000 . 2.000 2.025 2.014 2.038 0.038 15 0 "[ . 1 .]" 2
4 1 9 GLN O 1 13 ALA N 0.000 . 3.000 3.001 2.987 3.013 0.013 12 0 "[ . 1 .]" 2
5 1 10 ARG O 1 14 GLU H 0.000 . 2.000 2.029 2.014 2.045 0.045 3 0 "[ . 1 .]" 2
6 1 10 ARG O 1 14 GLU N 0.000 . 3.000 2.937 2.890 2.977 . 0 0 "[ . 1 .]" 2
7 1 11 ILE O 1 15 ILE H 0.000 . 2.000 1.639 1.599 1.706 . 0 0 "[ . 1 .]" 2
8 1 11 ILE O 1 15 ILE N 0.000 . 3.000 2.614 2.570 2.677 . 0 0 "[ . 1 .]" 2
9 1 12 HIS O 1 16 LYS H 0.000 . 2.000 1.846 1.706 1.930 . 0 0 "[ . 1 .]" 2
10 1 12 HIS O 1 16 LYS N 0.000 . 3.000 2.740 2.636 2.818 . 0 0 "[ . 1 .]" 2
11 1 14 GLU O 1 18 SER H 0.000 . 2.000 2.028 2.007 2.043 0.043 13 0 "[ . 1 .]" 2
12 1 14 GLU O 1 18 SER N 0.000 . 3.000 2.876 2.817 2.956 . 0 0 "[ . 1 .]" 2
13 1 26 VAL O 1 30 ILE H 0.000 . 2.000 1.907 1.854 2.041 0.041 14 0 "[ . 1 .]" 2
14 1 26 VAL O 1 30 ILE N 0.000 . 3.000 2.850 2.801 2.984 . 0 0 "[ . 1 .]" 2
15 1 27 ASN O 1 31 GLU H 0.000 . 2.000 1.732 1.652 1.821 . 0 0 "[ . 1 .]" 2
16 1 27 ASN O 1 31 GLU N 0.000 . 3.000 2.696 2.625 2.786 . 0 0 "[ . 1 .]" 2
17 1 28 ARG O 1 32 ALA H 0.000 . 2.000 2.039 2.024 2.050 0.050 13 0 "[ . 1 .]" 2
18 1 28 ARG O 1 32 ALA N 0.000 . 3.000 2.909 2.872 2.967 . 0 0 "[ . 1 .]" 2
19 1 29 CYS O 1 33 LEU H 0.000 . 2.000 1.743 1.691 1.789 . 0 0 "[ . 1 .]" 2
20 1 29 CYS O 1 33 LEU N 0.000 . 3.000 2.588 2.535 2.636 . 0 0 "[ . 1 .]" 2
21 1 30 ILE O 1 34 ASP H 0.000 . 2.000 2.082 2.048 2.103 0.103 13 0 "[ . 1 .]" 2
22 1 30 ILE O 1 34 ASP N 0.000 . 3.000 2.983 2.942 3.017 0.017 5 0 "[ . 1 .]" 2
23 1 31 GLU O 1 35 GLU H 0.000 . 2.000 1.864 1.660 2.034 0.034 8 0 "[ . 1 .]" 2
24 1 31 GLU O 1 35 GLU N 0.000 . 3.000 2.832 2.620 3.019 0.019 8 0 "[ . 1 .]" 2
25 1 32 ALA O 1 36 LEU H 0.000 . 2.000 1.828 1.714 2.000 0.000 12 0 "[ . 1 .]" 2
26 1 32 ALA O 1 36 LEU N 0.000 . 3.000 2.644 2.557 2.818 . 0 0 "[ . 1 .]" 2
27 1 33 LEU O 1 37 ALA H 0.000 . 2.000 1.974 1.855 2.015 0.015 14 0 "[ . 1 .]" 2
28 1 33 LEU O 1 37 ALA N 0.000 . 3.000 2.793 2.717 2.875 . 0 0 "[ . 1 .]" 2
29 1 34 ASP O 1 38 SER H 0.000 . 2.000 2.027 2.011 2.049 0.049 4 0 "[ . 1 .]" 2
30 1 34 ASP O 1 38 SER N 0.000 . 3.000 2.979 2.883 3.008 0.008 14 0 "[ . 1 .]" 2
31 1 42 THR O 1 46 ALA H 0.000 . 2.000 1.923 1.822 2.010 0.010 1 0 "[ . 1 .]" 2
32 1 42 THR O 1 46 ALA N 0.000 . 3.000 2.828 2.718 2.905 . 0 0 "[ . 1 .]" 2
33 1 49 HIS O 1 53 ILE H 0.000 . 2.000 2.060 2.036 2.073 0.073 9 0 "[ . 1 .]" 2
34 1 49 HIS O 1 53 ILE N 0.000 . 3.000 3.028 3.000 3.044 0.044 9 0 "[ . 1 .]" 2
35 1 50 THR O 1 54 THR H 0.000 . 2.000 2.012 1.992 2.035 0.035 14 0 "[ . 1 .]" 2
36 1 50 THR O 1 54 THR N 0.000 . 3.000 2.928 2.894 2.970 . 0 0 "[ . 1 .]" 2
37 1 52 MET O 1 56 LEU H 0.000 . 2.000 2.046 1.882 2.078 0.078 4 0 "[ . 1 .]" 2
38 1 52 MET O 1 56 LEU N 0.000 . 3.000 2.977 2.828 3.009 0.009 4 0 "[ . 1 .]" 2
39 1 53 ILE O 1 57 LYS H 0.000 . 2.000 2.030 2.003 2.045 0.045 13 0 "[ . 1 .]" 2
40 1 53 ILE O 1 57 LYS N 0.000 . 3.000 2.991 2.964 3.008 0.008 14 0 "[ . 1 .]" 2
41 1 54 THR O 1 58 LYS H 0.000 . 2.000 2.030 2.016 2.069 0.069 14 0 "[ . 1 .]" 2
42 1 54 THR O 1 58 LYS N 0.000 . 3.000 2.783 2.738 2.873 . 0 0 "[ . 1 .]" 2
43 1 55 THR O 1 59 ILE H 0.000 . 2.000 2.020 1.924 2.060 0.060 14 0 "[ . 1 .]" 2
44 1 55 THR O 1 59 ILE N 0.000 . 3.000 2.911 2.842 2.946 . 0 0 "[ . 1 .]" 2
45 1 70 GLU O 1 74 MET H 0.000 . 2.000 2.029 2.007 2.077 0.077 10 0 "[ . 1 .]" 2
46 1 70 GLU O 1 74 MET N 0.000 . 3.000 2.977 2.935 3.002 0.002 9 0 "[ . 1 .]" 2
47 1 71 LYS O 1 75 LEU H 0.000 . 2.000 2.015 1.959 2.033 0.033 12 0 "[ . 1 .]" 2
48 1 71 LYS O 1 75 LEU N 0.000 . 3.000 2.911 2.878 2.937 . 0 0 "[ . 1 .]" 2
49 1 72 SER O 1 76 TYR H 0.000 . 2.000 1.762 1.625 2.007 0.007 10 0 "[ . 1 .]" 2
50 1 72 SER O 1 76 TYR N 0.000 . 3.000 2.691 2.565 2.879 . 0 0 "[ . 1 .]" 2
51 1 75 LEU O 1 79 PHE H 0.000 . 2.000 2.032 2.010 2.051 0.051 10 0 "[ . 1 .]" 2
52 1 75 LEU O 1 79 PHE N 0.000 . 3.000 2.935 2.874 2.987 . 0 0 "[ . 1 .]" 2
53 1 80 LYS O 1 84 LEU H 0.000 . 2.000 2.075 2.064 2.093 0.093 14 0 "[ . 1 .]" 2
54 1 80 LYS O 1 84 LEU N 0.000 . 3.000 2.509 2.462 2.539 . 0 0 "[ . 1 .]" 2
55 1 81 ASN O 1 85 VAL H 0.000 . 2.000 1.979 1.754 2.034 0.034 2 0 "[ . 1 .]" 2
56 1 81 ASN O 1 85 VAL N 0.000 . 3.000 2.940 2.697 3.003 0.003 7 0 "[ . 1 .]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 1:37:12 PM GMT (wattos1)