NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450041 |
2pph   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2pph
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 1068
_Distance_constraint_stats_list.Viol_count 382
_Distance_constraint_stats_list.Viol_total 129.099
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0028
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0169
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLN 0.154 0.060 6 0 "[ . 1 . 2]"
1 3 SER 0.239 0.063 12 0 "[ . 1 . 2]"
1 4 ASP 0.131 0.054 3 0 "[ . 1 . 2]"
1 5 VAL 0.099 0.025 19 0 "[ . 1 . 2]"
1 6 ARG 0.029 0.009 12 0 "[ . 1 . 2]"
1 7 ILE 0.053 0.032 10 0 "[ . 1 . 2]"
1 8 LYS 0.003 0.003 6 0 "[ . 1 . 2]"
1 9 PHE 0.050 0.021 6 0 "[ . 1 . 2]"
1 10 GLU 0.034 0.028 18 0 "[ . 1 . 2]"
1 11 HIS 0.006 0.006 8 0 "[ . 1 . 2]"
1 12 ASN 0.006 0.006 8 0 "[ . 1 . 2]"
1 13 GLY 0.006 0.006 12 0 "[ . 1 . 2]"
1 14 GLU 0.021 0.009 10 0 "[ . 1 . 2]"
1 15 ARG 0.028 0.028 18 0 "[ . 1 . 2]"
1 16 ARG 0.041 0.018 13 0 "[ . 1 . 2]"
1 17 ILE 0.039 0.021 6 0 "[ . 1 . 2]"
1 18 ILE 0.039 0.017 2 0 "[ . 1 . 2]"
1 19 ALA 0.018 0.018 14 0 "[ . 1 . 2]"
1 20 PHE 0.083 0.029 9 0 "[ . 1 . 2]"
1 21 SER 0.094 0.054 3 0 "[ . 1 . 2]"
1 22 ARG 0.111 0.025 19 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.004 0.004 5 0 "[ . 1 . 2]"
1 25 LYS 0.108 0.035 15 0 "[ . 1 . 2]"
1 26 TYR 0.039 0.028 10 0 "[ . 1 . 2]"
1 27 GLU 0.028 0.028 10 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.047 0.029 9 0 "[ . 1 . 2]"
1 30 GLU 0.033 0.016 10 0 "[ . 1 . 2]"
1 31 HIS 0.016 0.016 9 0 "[ . 1 . 2]"
1 32 LYS 0.089 0.022 2 0 "[ . 1 . 2]"
1 33 VAL 0.019 0.009 9 0 "[ . 1 . 2]"
1 34 THR 0.063 0.022 19 0 "[ . 1 . 2]"
1 35 THR 0.086 0.027 19 0 "[ . 1 . 2]"
1 36 VAL 0.071 0.032 14 0 "[ . 1 . 2]"
1 37 PHE 0.285 0.050 3 0 "[ . 1 . 2]"
1 38 GLY 0.146 0.032 14 0 "[ . 1 . 2]"
1 39 GLN 0.185 0.029 9 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.434 0.029 9 0 "[ . 1 . 2]"
1 42 ASP 0.168 0.028 8 0 "[ . 1 . 2]"
1 43 LEU 0.052 0.017 12 0 "[ . 1 . 2]"
1 44 HIS 0.071 0.022 12 0 "[ . 1 . 2]"
1 45 TYR 0.823 0.064 20 0 "[ . 1 . 2]"
1 46 MET 0.085 0.027 5 0 "[ . 1 . 2]"
1 47 ASN 0.411 0.040 15 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.514 0.040 15 0 "[ . 1 . 2]"
1 51 SER 0.232 0.027 3 0 "[ . 1 . 2]"
1 52 ILE 0.358 0.029 9 0 "[ . 1 . 2]"
1 53 LEU 0.488 0.029 9 0 "[ . 1 . 2]"
1 54 LEU 0.126 0.033 12 0 "[ . 1 . 2]"
1 55 LYS 0.559 0.049 14 0 "[ . 1 . 2]"
1 56 ASN 0.513 0.049 14 0 "[ . 1 . 2]"
1 57 GLN 0.224 0.046 15 0 "[ . 1 . 2]"
1 58 ASP 0.005 0.005 16 0 "[ . 1 . 2]"
1 59 ASP 0.410 0.038 7 0 "[ . 1 . 2]"
1 60 LEU 0.005 0.005 14 0 "[ . 1 . 2]"
1 61 ASP 0.225 0.038 7 0 "[ . 1 . 2]"
1 62 LYS 0.005 0.005 16 0 "[ . 1 . 2]"
1 63 ALA 0.035 0.031 16 0 "[ . 1 . 2]"
1 64 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 0.020 0.018 18 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ARG 0.368 0.039 17 0 "[ . 1 . 2]"
1 70 SER 0.375 0.039 17 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.228 0.069 19 0 "[ . 1 . 2]"
1 73 MET 0.180 0.039 19 0 "[ . 1 . 2]"
1 74 LYS 0.049 0.027 15 0 "[ . 1 . 2]"
1 75 SER 0.058 0.027 15 0 "[ . 1 . 2]"
1 76 LEU 0.048 0.032 10 0 "[ . 1 . 2]"
1 77 ARG 0.071 0.023 13 0 "[ . 1 . 2]"
1 78 ILE 0.010 0.008 7 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.082 0.021 13 0 "[ . 1 . 2]"
1 81 LEU 0.252 0.030 3 0 "[ . 1 . 2]"
1 82 SER 0.162 0.022 4 0 "[ . 1 . 2]"
1 83 GLN 0.090 0.027 10 0 "[ . 1 . 2]"
1 84 ASP 0.100 0.038 11 0 "[ . 1 . 2]"
1 85 ARG 0.343 0.053 5 0 "[ . 1 . 2]"
1 86 ASN 0.308 0.053 5 0 "[ . 1 . 2]"
1 87 LEU 0.041 0.041 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN HA 1 2 GLN QG 1.800 . 4.000 2.451 2.179 3.351 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN QB 1 3 SER H 1.800 . 5.000 3.103 1.998 3.981 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HA 1 3 SER H 1.800 . 3.500 2.586 2.146 3.560 0.060 6 0 "[ . 1 . 2]" 1
4 1 3 SER HA 1 4 ASP H 1.800 . 3.000 2.443 2.154 2.902 . 0 0 "[ . 1 . 2]" 1
5 1 3 SER QB 1 4 ASP H 1.800 . 4.000 2.945 2.073 3.900 . 0 0 "[ . 1 . 2]" 1
6 1 3 SER H 1 4 ASP H 1.800 . 4.500 4.014 2.593 4.507 0.007 12 0 "[ . 1 . 2]" 1
7 1 3 SER H 1 3 SER HG 1.800 . 4.500 3.774 2.325 4.563 0.063 12 0 "[ . 1 . 2]" 1
8 1 3 SER HA 1 22 ARG HE 1.800 . 5.500 4.181 2.713 5.431 . 0 0 "[ . 1 . 2]" 1
9 1 3 SER QB 1 22 ARG HE 1.800 . 6.000 5.013 3.112 5.996 . 0 0 "[ . 1 . 2]" 1
10 1 3 SER HA 1 22 ARG H 1.800 . 5.500 3.964 2.295 5.327 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASP H 1 4 ASP QB 1.800 . 3.500 3.118 2.271 3.444 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASP HA 1 5 VAL H 1.800 . 3.000 2.218 2.140 2.431 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASP H 1 5 VAL H 1.800 . 4.500 3.713 2.939 4.424 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASP QB 1 5 VAL H 1.800 . 4.000 3.559 2.405 3.933 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASP H 1 21 SER HA 1.800 . 4.000 3.433 2.496 4.054 0.054 3 0 "[ . 1 . 2]" 1
16 1 4 ASP QB 1 20 PHE H 1.800 . 5.500 4.409 3.250 5.112 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASP HA 1 20 PHE H 1.800 . 5.500 3.993 3.579 4.548 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASP HA 1 22 ARG H 1.800 . 4.000 3.496 2.496 4.012 0.012 19 0 "[ . 1 . 2]" 1
19 1 4 ASP HA 1 21 SER HA 1.800 . 4.000 2.217 1.938 2.796 . 0 0 "[ . 1 . 2]" 1
20 1 4 ASP QB 1 19 ALA MB 1.800 . 5.000 3.204 2.067 4.272 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASP QB 1 19 ALA HA 1.800 . 5.500 4.906 3.955 5.518 0.018 14 0 "[ . 1 . 2]" 1
22 1 5 VAL H 1 5 VAL HB 1.800 . 3.500 2.694 2.611 2.945 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL HA 1 6 ARG H 1.800 . 3.000 2.181 2.151 2.234 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL HB 1 6 ARG H 1.800 . 4.500 4.027 3.850 4.222 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL QG 1 6 ARG H 1.800 . 5.000 2.410 2.131 2.682 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL HA 1 5 VAL QG 1.800 . 4.000 2.103 2.046 2.168 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL H 1 5 VAL MG1 1.800 . 4.000 3.849 3.786 3.976 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL H 1 5 VAL MG2 1.800 . 5.000 2.354 1.997 2.884 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL MG1 1 7 ILE QG 1.800 . 4.000 2.619 2.100 3.283 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL MG1 1 7 ILE MG 1.800 . 6.000 4.422 4.199 4.653 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL H 1 20 PHE H 1.800 . 4.000 3.024 2.624 3.572 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL H 1 19 ALA MB 1.800 . 6.000 4.441 3.695 5.133 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL HB 1 20 PHE H 1.800 . 5.000 3.767 3.178 4.434 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL H 1 20 PHE QB 1.800 . 5.500 3.759 3.402 4.241 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL HB 1 20 PHE QB 1.800 . 5.000 3.305 2.552 3.971 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL QG 1 20 PHE QB 1.800 . 6.000 3.760 3.152 4.293 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL H 1 21 SER HA 1.800 . 4.000 3.573 3.111 3.833 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL MG1 1 22 ARG HE 1.800 . 4.500 4.295 3.729 4.525 0.025 19 0 "[ . 1 . 2]" 1
39 1 5 VAL H 1 22 ARG HE 1.800 . 6.000 4.638 3.936 5.519 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL H 1 22 ARG H 1.800 . 6.000 4.372 3.682 5.420 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL HB 1 24 VAL MG1 1.800 . 5.500 4.095 3.163 4.625 . 0 0 "[ . 1 . 2]" 1
42 1 5 VAL QG 1 24 VAL MG1 1.800 . 6.000 3.248 2.213 4.243 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL QG 1 64 ILE MD 1.800 . 5.000 3.421 1.885 4.641 . 0 0 "[ . 1 . 2]" 1
44 1 5 VAL QG 1 64 ILE QG 1.800 . 6.000 3.590 2.567 4.805 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL QG 1 64 ILE MG 1.800 . 6.000 3.153 2.364 3.863 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL MG1 1 67 LEU QD 1.800 . 6.000 3.370 2.384 4.366 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL MG1 1 76 LEU QB 1.800 . 5.000 4.115 3.112 4.699 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL MG1 1 76 LEU HG 1.800 . 5.000 4.497 3.822 4.852 . 0 0 "[ . 1 . 2]" 1
49 1 6 ARG H 1 6 ARG QD 1.800 . 5.000 3.909 2.520 4.747 . 0 0 "[ . 1 . 2]" 1
50 1 6 ARG HA 1 7 ILE H 1.800 . 3.000 2.159 2.141 2.179 . 0 0 "[ . 1 . 2]" 1
51 1 6 ARG QB 1 7 ILE H 1.800 . 4.500 3.649 3.275 3.889 . 0 0 "[ . 1 . 2]" 1
52 1 6 ARG H 1 6 ARG QB 1.800 . 3.300 2.224 2.124 2.334 . 0 0 "[ . 1 . 2]" 1
53 1 6 ARG H 1 6 ARG QG 1.800 . 4.000 3.595 2.924 4.003 0.003 7 0 "[ . 1 . 2]" 1
54 1 6 ARG HA 1 6 ARG QG 1.800 . 4.000 2.196 2.041 2.353 . 0 0 "[ . 1 . 2]" 1
55 1 6 ARG QB 1 6 ARG QD 1.800 . 4.000 2.156 1.925 2.719 . 0 0 "[ . 1 . 2]" 1
56 1 6 ARG QD 1 17 ILE MG 1.800 . 5.000 3.503 2.162 4.718 . 0 0 "[ . 1 . 2]" 1
57 1 6 ARG QB 1 17 ILE MG 1.800 . 4.500 3.545 2.674 4.359 . 0 0 "[ . 1 . 2]" 1
58 1 6 ARG QG 1 17 ILE MG 1.800 . 4.500 2.736 1.941 3.875 . 0 0 "[ . 1 . 2]" 1
59 1 6 ARG HA 1 17 ILE MG 1.800 . 5.500 4.006 3.515 4.592 . 0 0 "[ . 1 . 2]" 1
60 1 6 ARG HA 1 19 ALA HA 1.800 . 4.000 2.629 2.178 2.929 . 0 0 "[ . 1 . 2]" 1
61 1 6 ARG HA 1 19 ALA MB 1.800 . 5.000 3.504 2.775 4.095 . 0 0 "[ . 1 . 2]" 1
62 1 6 ARG QD 1 19 ALA MB 1.800 . 6.000 4.086 2.093 5.144 . 0 0 "[ . 1 . 2]" 1
63 1 6 ARG QG 1 19 ALA MB 1.800 . 5.000 3.140 2.353 3.820 . 0 0 "[ . 1 . 2]" 1
64 1 6 ARG HA 1 19 ALA H 1.800 . 6.000 4.984 4.539 5.309 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG QG 1 19 ALA H 1.800 . 5.500 4.902 4.443 5.402 . 0 0 "[ . 1 . 2]" 1
66 1 6 ARG HA 1 20 PHE H 1.800 . 4.000 3.839 3.540 4.009 0.009 12 0 "[ . 1 . 2]" 1
67 1 6 ARG QB 1 75 SER QB 1.800 . 4.000 3.537 2.752 4.008 0.008 19 0 "[ . 1 . 2]" 1
68 1 6 ARG QB 1 75 SER HA 1.800 . 4.000 3.227 2.541 3.959 . 0 0 "[ . 1 . 2]" 1
69 1 7 ILE H 1 7 ILE QG 1.800 . 4.500 2.620 2.310 3.250 . 0 0 "[ . 1 . 2]" 1
70 1 7 ILE H 1 7 ILE MG 1.800 . 5.000 3.870 3.844 3.891 . 0 0 "[ . 1 . 2]" 1
71 1 7 ILE HA 1 8 LYS H 1.800 . 3.000 2.164 2.138 2.192 . 0 0 "[ . 1 . 2]" 1
72 1 7 ILE HB 1 8 LYS H 1.800 . 5.000 4.106 3.974 4.246 . 0 0 "[ . 1 . 2]" 1
73 1 7 ILE MG 1 8 LYS H 1.800 . 4.000 2.560 2.207 2.923 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE H 1 7 ILE HB 1.800 . 3.500 2.686 2.647 2.728 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE H 1 7 ILE MD 1.800 . 5.000 3.271 2.160 3.906 . 0 0 "[ . 1 . 2]" 1
76 1 7 ILE HA 1 7 ILE QG 1.800 . 4.000 2.551 2.394 3.043 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE HA 1 7 ILE MG 1.800 . 5.000 2.310 2.207 2.389 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE H 1 18 ILE H 1.800 . 4.500 3.509 2.920 3.862 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE H 1 19 ALA HA 1.800 . 4.000 3.250 2.830 3.790 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE H 1 19 ALA MB 1.800 . 6.000 4.581 4.046 5.144 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE H 1 20 PHE QD 1.800 . 5.000 4.026 3.260 4.869 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE H 1 20 PHE QE 1.800 . 6.000 5.319 4.234 5.963 . 0 0 "[ . 1 . 2]" 1
83 1 7 ILE MG 1 9 PHE H 1.800 . 6.000 4.264 3.701 4.494 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE QG 1 20 PHE H 1.800 . 6.000 4.270 3.506 5.183 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE QG 1 20 PHE QD 1.800 . 5.000 3.272 2.602 4.246 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE QG 1 20 PHE QE 1.800 . 6.000 4.685 3.962 5.444 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE HA 1 76 LEU H 1.800 . 4.000 2.733 2.266 3.328 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE MG 1 76 LEU H 1.800 . 6.000 3.912 3.409 4.759 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE QG 1 76 LEU H 1.800 . 6.000 4.549 3.831 5.129 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE MG 1 78 ILE H 1.800 . 6.000 4.431 3.926 4.981 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE MG 1 78 ILE HB 1.800 . 5.000 3.638 3.147 3.910 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE MG 1 78 ILE MD 1.800 . 4.000 2.048 1.792 3.478 0.008 7 0 "[ . 1 . 2]" 1
93 1 7 ILE MG 1 78 ILE QG 1.800 . 5.000 3.111 2.203 3.554 . 0 0 "[ . 1 . 2]" 1
94 1 7 ILE HA 1 76 LEU QB 1.800 . 4.000 2.624 1.916 4.032 0.032 10 0 "[ . 1 . 2]" 1
95 1 7 ILE MG 1 76 LEU QB 1.800 . 4.500 2.456 1.934 3.874 . 0 0 "[ . 1 . 2]" 1
96 1 7 ILE QG 1 76 LEU QB 1.800 . 4.500 3.270 2.505 4.504 0.004 6 0 "[ . 1 . 2]" 1
97 1 7 ILE MG 1 9 PHE HA 1.800 . 5.500 4.155 3.873 4.425 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE HA 1 75 SER QB 1.800 . 6.000 4.282 3.145 5.592 . 0 0 "[ . 1 . 2]" 1
99 1 7 ILE MG 1 77 ARG HA 1.800 . 6.000 5.099 4.441 5.770 . 0 0 "[ . 1 . 2]" 1
100 1 8 LYS HA 1 9 PHE H 1.800 . 3.000 2.143 2.127 2.155 . 0 0 "[ . 1 . 2]" 1
101 1 8 LYS H 1 8 LYS QB 1.800 . 3.500 2.317 2.192 2.414 . 0 0 "[ . 1 . 2]" 1
102 1 8 LYS H 1 8 LYS QG 1.800 . 5.000 3.662 2.897 4.113 . 0 0 "[ . 1 . 2]" 1
103 1 8 LYS H 1 9 PHE H 1.800 . 5.000 4.374 4.146 4.464 . 0 0 "[ . 1 . 2]" 1
104 1 8 LYS QE 1 8 LYS QG 1.800 . 4.000 2.160 1.967 2.655 . 0 0 "[ . 1 . 2]" 1
105 1 8 LYS QG 1 16 ARG H 1.800 . 6.000 3.880 2.835 5.371 . 0 0 "[ . 1 . 2]" 1
106 1 8 LYS HA 1 16 ARG H 1.800 . 5.000 4.313 4.007 4.633 . 0 0 "[ . 1 . 2]" 1
107 1 8 LYS HA 1 18 ILE H 1.800 . 5.000 3.591 3.168 3.980 . 0 0 "[ . 1 . 2]" 1
108 1 8 LYS H 1 75 SER QB 1.800 . 5.000 3.704 2.841 4.810 . 0 0 "[ . 1 . 2]" 1
109 1 8 LYS H 1 75 SER HA 1.800 . 5.000 4.754 4.232 5.003 0.003 6 0 "[ . 1 . 2]" 1
110 1 8 LYS H 1 76 LEU H 1.800 . 4.000 2.662 2.181 3.228 . 0 0 "[ . 1 . 2]" 1
111 1 8 LYS H 1 77 ARG HA 1.800 . 5.000 4.455 3.994 4.959 . 0 0 "[ . 1 . 2]" 1
112 1 8 LYS HA 1 17 ILE HA 1.800 . 4.000 2.718 2.125 3.175 . 0 0 "[ . 1 . 2]" 1
113 1 8 LYS HA 1 17 ILE QG 1.800 . 5.000 3.758 3.174 4.771 . 0 0 "[ . 1 . 2]" 1
114 1 8 LYS QG 1 17 ILE QG 1.800 . 4.500 2.661 1.969 3.728 . 0 0 "[ . 1 . 2]" 1
115 1 8 LYS HA 1 17 ILE MD 1.800 . 6.000 5.105 2.783 5.870 . 0 0 "[ . 1 . 2]" 1
116 1 8 LYS QE 1 17 ILE MD 1.800 . 5.000 3.603 2.303 4.466 . 0 0 "[ . 1 . 2]" 1
117 1 8 LYS QD 1 17 ILE MD 1.800 . 6.000 4.390 2.712 5.486 . 0 0 "[ . 1 . 2]" 1
118 1 8 LYS QG 1 17 ILE HA 1.800 . 6.000 3.359 2.704 4.530 . 0 0 "[ . 1 . 2]" 1
119 1 8 LYS QE 1 17 ILE QG 1.800 . 6.000 3.097 1.945 4.308 . 0 0 "[ . 1 . 2]" 1
120 1 9 PHE QB 1 10 GLU H 1.800 . 4.500 2.987 2.711 3.237 . 0 0 "[ . 1 . 2]" 1
121 1 9 PHE H 1 10 GLU H 1.800 . 5.000 4.496 4.380 4.589 . 0 0 "[ . 1 . 2]" 1
122 1 9 PHE HA 1 10 GLU H 1.800 . 3.000 2.214 2.162 2.277 . 0 0 "[ . 1 . 2]" 1
123 1 9 PHE H 1 9 PHE QD 1.800 . 4.000 2.751 2.266 3.608 . 0 0 "[ . 1 . 2]" 1
124 1 9 PHE H 1 9 PHE QE 1.800 . 6.000 4.731 3.868 5.344 . 0 0 "[ . 1 . 2]" 1
125 1 9 PHE QD 1 10 GLU H 1.800 . 5.000 3.924 3.276 4.343 . 0 0 "[ . 1 . 2]" 1
126 1 9 PHE H 1 15 ARG HA 1.800 . 6.000 4.830 4.553 5.172 . 0 0 "[ . 1 . 2]" 1
127 1 9 PHE QB 1 16 ARG H 1.800 . 5.000 3.758 3.302 4.779 . 0 0 "[ . 1 . 2]" 1
128 1 9 PHE QD 1 16 ARG H 1.800 . 6.000 5.015 4.009 5.614 . 0 0 "[ . 1 . 2]" 1
129 1 9 PHE H 1 16 ARG H 1.800 . 4.000 3.055 2.810 3.323 . 0 0 "[ . 1 . 2]" 1
130 1 9 PHE H 1 16 ARG HA 1.800 . 5.000 4.877 4.606 5.015 0.015 18 0 "[ . 1 . 2]" 1
131 1 9 PHE QB 1 16 ARG QB 1.800 . 4.500 3.084 2.080 4.412 . 0 0 "[ . 1 . 2]" 1
132 1 9 PHE H 1 17 ILE HA 1.800 . 4.000 3.679 3.114 4.021 0.021 6 0 "[ . 1 . 2]" 1
133 1 9 PHE H 1 18 ILE H 1.800 . 5.500 4.359 3.841 4.988 . 0 0 "[ . 1 . 2]" 1
134 1 9 PHE QD 1 18 ILE H 1.800 . 4.500 3.860 3.117 4.505 0.005 5 0 "[ . 1 . 2]" 1
135 1 9 PHE QD 1 18 ILE QG 1.800 . 5.500 3.476 2.463 4.999 . 0 0 "[ . 1 . 2]" 1
136 1 9 PHE QD 1 18 ILE HB 1.800 . 5.500 3.552 2.856 4.643 . 0 0 "[ . 1 . 2]" 1
137 1 9 PHE HA 1 78 ILE H 1.800 . 5.000 3.680 2.339 4.232 . 0 0 "[ . 1 . 2]" 1
138 1 9 PHE QD 1 78 ILE H 1.800 . 6.000 5.346 4.332 5.980 . 0 0 "[ . 1 . 2]" 1
139 1 9 PHE HA 1 78 ILE HB 1.800 . 5.000 3.298 2.469 3.624 . 0 0 "[ . 1 . 2]" 1
140 1 9 PHE HA 1 78 ILE MG 1.800 . 6.000 4.441 3.751 4.750 . 0 0 "[ . 1 . 2]" 1
141 1 9 PHE QD 1 78 ILE HB 1.800 . 5.500 3.693 2.544 4.708 . 0 0 "[ . 1 . 2]" 1
142 1 9 PHE QD 1 78 ILE MG 1.800 . 5.000 3.887 2.821 5.002 0.002 8 0 "[ . 1 . 2]" 1
143 1 9 PHE QD 1 80 LEU HG 1.800 . 4.500 3.301 2.305 4.344 . 0 0 "[ . 1 . 2]" 1
144 1 9 PHE QB 1 80 LEU HG 1.800 . 5.500 3.530 2.517 4.308 . 0 0 "[ . 1 . 2]" 1
145 1 9 PHE HA 1 80 LEU HG 1.800 . 5.000 4.188 3.740 4.978 . 0 0 "[ . 1 . 2]" 1
146 1 10 GLU H 1 10 GLU QB 1.800 . 3.300 2.564 2.378 3.081 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLU HA 1 11 HIS H 1.800 . 3.000 2.159 2.135 2.217 . 0 0 "[ . 1 . 2]" 1
148 1 10 GLU H 1 11 HIS H 1.800 . 4.500 4.340 4.208 4.444 . 0 0 "[ . 1 . 2]" 1
149 1 10 GLU QG 1 11 HIS H 1.800 . 4.500 2.967 2.340 4.228 . 0 0 "[ . 1 . 2]" 1
150 1 10 GLU QG 1 13 GLY H 1.800 . 5.000 3.537 2.509 5.006 0.006 12 0 "[ . 1 . 2]" 1
151 1 10 GLU QG 1 15 ARG H 1.800 . 6.000 4.169 3.288 6.028 0.028 18 0 "[ . 1 . 2]" 1
152 1 10 GLU HA 1 14 GLU H 1.800 . 6.000 4.658 4.119 4.861 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLU HA 1 15 ARG HA 1.800 . 4.000 2.414 1.931 3.250 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLU QB 1 15 ARG HA 1.800 . 6.000 3.702 2.323 4.860 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLU QG 1 15 ARG HA 1.800 . 6.000 2.928 2.450 4.244 . 0 0 "[ . 1 . 2]" 1
156 1 10 GLU HA 1 16 ARG H 1.800 . 4.500 3.674 3.245 4.047 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLU H 1 78 ILE MG 1.800 . 6.000 4.775 4.158 5.168 . 0 0 "[ . 1 . 2]" 1
158 1 10 GLU H 1 79 LEU QD 1.800 . 6.000 4.196 3.389 4.945 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLU H 1 79 LEU HA 1.800 . 4.500 3.458 2.695 3.931 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLU QB 1 79 LEU HA 1.800 . 5.000 3.278 2.413 4.781 . 0 0 "[ . 1 . 2]" 1
161 1 10 GLU H 1 80 LEU HG 1.800 . 5.000 3.298 2.721 4.250 . 0 0 "[ . 1 . 2]" 1
162 1 10 GLU QB 1 80 LEU H 1.800 . 6.000 4.063 3.263 5.217 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLU H 1 80 LEU MD1 1.800 . 5.000 3.051 2.263 4.709 . 0 0 "[ . 1 . 2]" 1
164 1 11 HIS HA 1 12 ASN H 1.800 . 3.000 2.153 2.144 2.169 . 0 0 "[ . 1 . 2]" 1
165 1 11 HIS HA 1 11 HIS HD2 1.800 . 4.500 2.497 2.146 2.980 . 0 0 "[ . 1 . 2]" 1
166 1 11 HIS QB 1 12 ASN H 1.800 . 4.500 3.818 3.654 3.903 . 0 0 "[ . 1 . 2]" 1
167 1 11 HIS HD2 1 12 ASN H 1.800 . 4.000 3.154 2.091 4.006 0.006 8 0 "[ . 1 . 2]" 1
168 1 11 HIS HE1 1 12 ASN QD 1.800 . 5.500 4.522 2.902 5.451 . 0 0 "[ . 1 . 2]" 1
169 1 11 HIS H 1 12 ASN H 1.800 . 6.000 4.091 3.980 4.229 . 0 0 "[ . 1 . 2]" 1
170 1 11 HIS H 1 13 GLY H 1.800 . 5.000 3.765 3.581 3.936 . 0 0 "[ . 1 . 2]" 1
171 1 11 HIS HA 1 13 GLY H 1.800 . 6.000 3.777 3.563 3.941 . 0 0 "[ . 1 . 2]" 1
172 1 11 HIS H 1 14 GLU QB 1.800 . 5.000 3.245 3.035 3.582 . 0 0 "[ . 1 . 2]" 1
173 1 11 HIS H 1 14 GLU H 1.800 . 4.000 3.034 2.500 3.335 . 0 0 "[ . 1 . 2]" 1
174 1 11 HIS H 1 15 ARG HA 1.800 . 4.500 3.786 3.468 4.386 . 0 0 "[ . 1 . 2]" 1
175 1 11 HIS QB 1 14 GLU QB 1.800 . 5.500 3.420 2.988 4.039 . 0 0 "[ . 1 . 2]" 1
176 1 11 HIS QB 1 37 PHE QE 1.800 . 6.000 2.958 2.366 3.669 . 0 0 "[ . 1 . 2]" 1
177 1 11 HIS H 1 37 PHE HZ 1.800 . 6.000 5.156 4.528 5.826 . 0 0 "[ . 1 . 2]" 1
178 1 11 HIS HA 1 80 LEU H 1.800 . 4.500 3.861 3.473 4.273 . 0 0 "[ . 1 . 2]" 1
179 1 11 HIS QB 1 80 LEU H 1.800 . 5.500 4.229 3.388 4.920 . 0 0 "[ . 1 . 2]" 1
180 1 11 HIS HD2 1 80 LEU H 1.800 . 6.000 4.405 3.691 5.413 . 0 0 "[ . 1 . 2]" 1
181 1 11 HIS H 1 80 LEU HG 1.800 . 6.000 5.743 4.961 5.999 . 0 0 "[ . 1 . 2]" 1
182 1 11 HIS QB 1 80 LEU QB 1.800 . 5.500 2.988 2.006 4.827 . 0 0 "[ . 1 . 2]" 1
183 1 11 HIS QB 1 80 LEU HG 1.800 . 6.000 4.013 2.772 4.558 . 0 0 "[ . 1 . 2]" 1
184 1 12 ASN HA 1 13 GLY H 1.800 . 3.300 2.888 2.817 2.978 . 0 0 "[ . 1 . 2]" 1
185 1 12 ASN QB 1 13 GLY H 1.800 . 5.000 3.842 3.789 3.902 . 0 0 "[ . 1 . 2]" 1
186 1 12 ASN H 1 13 GLY H 1.800 . 4.000 2.726 2.683 2.790 . 0 0 "[ . 1 . 2]" 1
187 1 12 ASN HA 1 12 ASN QD 1.800 . 5.500 3.388 2.344 4.030 . 0 0 "[ . 1 . 2]" 1
188 1 12 ASN QB 1 14 GLU H 1.800 . 4.500 3.421 3.201 3.800 . 0 0 "[ . 1 . 2]" 1
189 1 12 ASN HA 1 13 GLY HA2 1.800 . 5.000 4.742 4.683 4.791 . 0 0 "[ . 1 . 2]" 1
190 1 13 GLY QA 1 14 GLU H 1.800 . 4.000 2.921 2.916 2.943 . 0 0 "[ . 1 . 2]" 1
191 1 13 GLY H 1 14 GLU H 1.800 . 4.000 2.702 2.513 2.802 . 0 0 "[ . 1 . 2]" 1
192 1 14 GLU H 1 14 GLU QB 1.800 . 3.500 2.306 2.115 2.556 . 0 0 "[ . 1 . 2]" 1
193 1 14 GLU HA 1 15 ARG H 1.800 . 3.000 2.188 2.144 2.405 . 0 0 "[ . 1 . 2]" 1
194 1 14 GLU QB 1 15 ARG H 1.800 . 4.000 3.408 2.432 3.948 . 0 0 "[ . 1 . 2]" 1
195 1 14 GLU H 1 15 ARG H 1.800 . 5.000 4.423 4.270 4.621 . 0 0 "[ . 1 . 2]" 1
196 1 14 GLU H 1 14 GLU QG 1.800 . 4.000 3.265 2.227 4.009 0.009 10 0 "[ . 1 . 2]" 1
197 1 14 GLU QG 1 15 ARG H 1.800 . 5.500 3.751 2.841 4.786 . 0 0 "[ . 1 . 2]" 1
198 1 14 GLU HA 1 14 GLU QG 1.800 . 4.500 2.385 2.034 3.071 . 0 0 "[ . 1 . 2]" 1
199 1 15 ARG H 1 15 ARG QD 1.800 . 5.000 3.429 2.208 4.503 . 0 0 "[ . 1 . 2]" 1
200 1 15 ARG HA 1 16 ARG H 1.800 . 3.000 2.232 2.181 2.323 . 0 0 "[ . 1 . 2]" 1
201 1 15 ARG H 1 16 ARG H 1.800 . 5.000 4.536 4.463 4.583 . 0 0 "[ . 1 . 2]" 1
202 1 15 ARG H 1 15 ARG QB 1.800 . 3.500 2.650 2.253 3.000 . 0 0 "[ . 1 . 2]" 1
203 1 15 ARG H 1 15 ARG QG 1.800 . 4.000 2.573 1.910 3.983 . 0 0 "[ . 1 . 2]" 1
204 1 15 ARG HA 1 15 ARG QG 1.800 . 4.000 2.946 2.103 3.455 . 0 0 "[ . 1 . 2]" 1
205 1 15 ARG HA 1 15 ARG QD 1.800 . 6.000 3.960 3.357 4.374 . 0 0 "[ . 1 . 2]" 1
206 1 15 ARG QD 1 16 ARG H 1.800 . 6.000 4.938 3.112 5.506 . 0 0 "[ . 1 . 2]" 1
207 1 16 ARG HA 1 17 ILE H 1.800 . 3.000 2.244 2.190 2.347 . 0 0 "[ . 1 . 2]" 1
208 1 16 ARG QB 1 17 ILE H 1.800 . 3.500 3.012 2.529 3.464 . 0 0 "[ . 1 . 2]" 1
209 1 16 ARG QD 1 17 ILE H 1.800 . 5.500 4.493 2.894 5.518 0.018 13 0 "[ . 1 . 2]" 1
210 1 16 ARG H 1 17 ILE H 1.800 . 4.500 4.371 4.298 4.449 . 0 0 "[ . 1 . 2]" 1
211 1 16 ARG H 1 17 ILE QG 1.800 . 6.000 4.371 4.082 4.709 . 0 0 "[ . 1 . 2]" 1
212 1 16 ARG QG 1 17 ILE H 1.800 . 5.000 3.461 2.317 4.345 . 0 0 "[ . 1 . 2]" 1
213 1 16 ARG H 1 16 ARG QG 1.800 . 4.500 3.487 2.146 4.176 . 0 0 "[ . 1 . 2]" 1
214 1 16 ARG HA 1 16 ARG QG 1.800 . 4.500 2.429 2.018 3.354 . 0 0 "[ . 1 . 2]" 1
215 1 16 ARG QD 1 36 VAL MG2 1.800 . 6.000 5.013 3.696 5.768 . 0 0 "[ . 1 . 2]" 1
216 1 16 ARG QD 1 37 PHE HZ 1.800 . 6.000 4.381 3.158 6.001 0.001 8 0 "[ . 1 . 2]" 1
217 1 17 ILE H 1 17 ILE HB 1.800 . 3.500 2.697 2.636 2.764 . 0 0 "[ . 1 . 2]" 1
218 1 17 ILE H 1 18 ILE H 1.800 . 5.000 4.332 4.230 4.412 . 0 0 "[ . 1 . 2]" 1
219 1 17 ILE HA 1 18 ILE H 1.800 . 3.000 2.158 2.146 2.172 . 0 0 "[ . 1 . 2]" 1
220 1 17 ILE QG 1 18 ILE H 1.800 . 5.000 4.358 4.290 4.835 . 0 0 "[ . 1 . 2]" 1
221 1 17 ILE MG 1 18 ILE H 1.800 . 3.500 2.755 2.524 3.014 . 0 0 "[ . 1 . 2]" 1
222 1 17 ILE MG 1 19 ALA H 1.800 . 5.500 4.433 4.237 4.569 . 0 0 "[ . 1 . 2]" 1
223 1 17 ILE H 1 17 ILE QG 1.800 . 4.000 2.717 2.415 3.263 . 0 0 "[ . 1 . 2]" 1
224 1 17 ILE HA 1 17 ILE QG 1.800 . 4.500 2.531 2.431 3.041 . 0 0 "[ . 1 . 2]" 1
225 1 17 ILE HA 1 17 ILE MG 1.800 . 4.000 2.270 2.183 2.366 . 0 0 "[ . 1 . 2]" 1
226 1 17 ILE HA 1 17 ILE MD 1.800 . 6.000 3.704 1.990 3.939 . 0 0 "[ . 1 . 2]" 1
227 1 18 ILE H 1 18 ILE HB 1.800 . 3.500 2.852 2.723 3.253 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE H 1 18 ILE QG 1.800 . 4.500 2.921 2.511 4.149 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE H 1 18 ILE MG 1.800 . 5.000 3.847 2.138 3.978 . 0 0 "[ . 1 . 2]" 1
230 1 18 ILE H 1 19 ALA H 1.800 . 5.000 4.327 4.215 4.418 . 0 0 "[ . 1 . 2]" 1
231 1 18 ILE HA 1 19 ALA H 1.800 . 3.000 2.171 2.153 2.193 . 0 0 "[ . 1 . 2]" 1
232 1 18 ILE HB 1 19 ALA H 1.800 . 5.000 4.046 3.926 4.201 . 0 0 "[ . 1 . 2]" 1
233 1 18 ILE QG 1 19 ALA H 1.800 . 5.500 4.233 2.357 4.726 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE MG 1 19 ALA H 1.800 . 4.000 2.542 2.255 3.962 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE HA 1 18 ILE QG 1.800 . 4.500 2.601 2.412 3.027 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE HA 1 18 ILE MG 1.800 . 4.000 2.342 2.200 3.199 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE HA 1 18 ILE MD 1.800 . 6.000 3.392 2.012 3.933 . 0 0 "[ . 1 . 2]" 1
238 1 18 ILE HB 1 18 ILE MD 1.800 . 4.000 2.454 2.083 3.233 . 0 0 "[ . 1 . 2]" 1
239 1 18 ILE HB 1 19 ALA HA 1.800 . 6.000 4.929 4.797 5.916 . 0 0 "[ . 1 . 2]" 1
240 1 18 ILE HB 1 20 PHE QE 1.800 . 6.000 2.898 1.997 4.538 . 0 0 "[ . 1 . 2]" 1
241 1 18 ILE MG 1 20 PHE QE 1.800 . 4.000 2.561 1.981 3.351 . 0 0 "[ . 1 . 2]" 1
242 1 18 ILE MG 1 32 LYS QE 1.800 . 5.000 3.384 2.257 4.981 . 0 0 "[ . 1 . 2]" 1
243 1 18 ILE QG 1 32 LYS QE 1.800 . 6.000 4.879 3.031 6.017 0.017 2 0 "[ . 1 . 2]" 1
244 1 18 ILE MD 1 32 LYS QE 1.800 . 5.500 4.336 2.614 5.498 . 0 0 "[ . 1 . 2]" 1
245 1 19 ALA H 1 19 ALA MB 1.800 . 3.000 2.252 2.157 2.353 . 0 0 "[ . 1 . 2]" 1
246 1 19 ALA HA 1 20 PHE H 1.800 . 3.000 2.201 2.163 2.255 . 0 0 "[ . 1 . 2]" 1
247 1 19 ALA MB 1 20 PHE H 1.800 . 3.500 2.940 2.732 3.092 . 0 0 "[ . 1 . 2]" 1
248 1 19 ALA MB 1 21 SER H 1.800 . 6.000 4.828 4.609 5.060 . 0 0 "[ . 1 . 2]" 1
249 1 19 ALA HA 1 20 PHE QD 1.800 . 5.000 4.014 3.315 4.777 . 0 0 "[ . 1 . 2]" 1
250 1 20 PHE H 1 20 PHE QB 1.800 . 3.500 2.518 2.389 2.620 . 0 0 "[ . 1 . 2]" 1
251 1 20 PHE HA 1 21 SER H 1.800 . 3.000 2.152 2.131 2.179 . 0 0 "[ . 1 . 2]" 1
252 1 20 PHE QB 1 21 SER H 1.800 . 4.000 3.310 3.082 3.453 . 0 0 "[ . 1 . 2]" 1
253 1 20 PHE H 1 20 PHE QD 1.800 . 4.000 3.452 2.875 3.925 . 0 0 "[ . 1 . 2]" 1
254 1 20 PHE H 1 20 PHE QE 1.800 . 6.000 5.449 5.139 5.777 . 0 0 "[ . 1 . 2]" 1
255 1 20 PHE QD 1 21 SER H 1.800 . 4.500 3.742 3.316 4.280 . 0 0 "[ . 1 . 2]" 1
256 1 20 PHE H 1 21 SER H 1.800 . 5.000 4.267 4.141 4.402 . 0 0 "[ . 1 . 2]" 1
257 1 20 PHE QB 1 24 VAL QG 1.800 . 4.500 2.277 1.840 2.705 . 0 0 "[ . 1 . 2]" 1
258 1 20 PHE QD 1 24 VAL QG 1.800 . 5.000 2.747 1.906 3.656 . 0 0 "[ . 1 . 2]" 1
259 1 20 PHE QD 1 25 LYS H 1.800 . 7.000 5.487 4.400 6.844 . 0 0 "[ . 1 . 2]" 1
260 1 20 PHE QB 1 25 LYS H 1.800 . 7.000 5.484 4.751 6.460 . 0 0 "[ . 1 . 2]" 1
261 1 20 PHE QD 1 29 VAL HA 1.800 . 6.000 4.490 3.801 4.984 . 0 0 "[ . 1 . 2]" 1
262 1 20 PHE QE 1 29 VAL HA 1.800 . 5.000 3.060 2.079 3.931 . 0 0 "[ . 1 . 2]" 1
263 1 20 PHE QD 1 29 VAL MG1 1.800 . 4.000 3.778 3.119 4.029 0.029 9 0 "[ . 1 . 2]" 1
264 1 20 PHE QE 1 29 VAL MG2 1.800 . 4.000 3.204 2.466 3.987 . 0 0 "[ . 1 . 2]" 1
265 1 20 PHE QE 1 32 LYS QB 1.800 . 6.000 3.472 2.606 3.970 . 0 0 "[ . 1 . 2]" 1
266 1 20 PHE QE 1 32 LYS QD 1.800 . 4.000 2.830 1.979 4.022 0.022 2 0 "[ . 1 . 2]" 1
267 1 20 PHE QE 1 32 LYS H 1.800 . 5.500 5.172 4.185 5.507 0.007 6 0 "[ . 1 . 2]" 1
268 1 21 SER HA 1 22 ARG H 1.800 . 3.000 2.223 2.147 2.437 . 0 0 "[ . 1 . 2]" 1
269 1 21 SER QB 1 22 ARG H 1.800 . 4.000 3.091 2.386 3.780 . 0 0 "[ . 1 . 2]" 1
270 1 21 SER H 1 24 VAL QG 1.800 . 6.000 4.647 4.021 5.679 . 0 0 "[ . 1 . 2]" 1
271 1 22 ARG H 1 22 ARG QB 1.800 . 3.500 2.478 2.095 2.935 . 0 0 "[ . 1 . 2]" 1
272 1 22 ARG H 1 22 ARG QG 1.800 . 4.000 2.636 1.978 3.839 . 0 0 "[ . 1 . 2]" 1
273 1 22 ARG H 1 22 ARG QD 1.800 . 5.500 4.004 2.110 4.671 . 0 0 "[ . 1 . 2]" 1
274 1 22 ARG QB 1 22 ARG HE 1.800 . 4.500 3.489 2.315 4.283 . 0 0 "[ . 1 . 2]" 1
275 1 22 ARG H 1 22 ARG HE 1.800 . 6.000 4.812 4.094 5.872 . 0 0 "[ . 1 . 2]" 1
276 1 22 ARG HA 1 23 PRO HA 1.800 . 4.000 2.308 2.184 2.480 . 0 0 "[ . 1 . 2]" 1
277 1 22 ARG QB 1 23 PRO HA 1.800 . 4.000 2.200 1.919 2.788 . 0 0 "[ . 1 . 2]" 1
278 1 22 ARG QG 1 23 PRO HA 1.800 . 5.000 3.268 1.989 4.217 . 0 0 "[ . 1 . 2]" 1
279 1 22 ARG H 1 24 VAL MG1 1.800 . 6.000 5.480 4.630 5.948 . 0 0 "[ . 1 . 2]" 1
280 1 22 ARG HA 1 24 VAL H 1.800 . 5.000 2.396 2.122 2.883 . 0 0 "[ . 1 . 2]" 1
281 1 22 ARG HA 1 24 VAL MG1 1.800 . 5.000 3.631 3.038 4.025 . 0 0 "[ . 1 . 2]" 1
282 1 22 ARG QG 1 24 VAL H 1.800 . 6.000 3.359 2.070 4.999 . 0 0 "[ . 1 . 2]" 1
283 1 23 PRO HA 1 24 VAL H 1.800 . 3.000 2.168 2.151 2.215 . 0 0 "[ . 1 . 2]" 1
284 1 23 PRO QB 1 24 VAL H 1.800 . 4.000 3.320 3.031 3.470 . 0 0 "[ . 1 . 2]" 1
285 1 23 PRO QB 1 25 LYS QD 1.800 . 5.500 4.060 2.491 5.320 . 0 0 "[ . 1 . 2]" 1
286 1 24 VAL QG 1 25 LYS HA 1.800 . 6.000 3.644 3.562 3.716 . 0 0 "[ . 1 . 2]" 1
287 1 24 VAL H 1 24 VAL HB 1.800 . 3.500 2.765 2.598 2.984 . 0 0 "[ . 1 . 2]" 1
288 1 24 VAL H 1 24 VAL MG1 1.800 . 4.000 1.997 1.963 2.050 . 0 0 "[ . 1 . 2]" 1
289 1 24 VAL H 1 24 VAL MG2 1.800 . 5.500 3.817 3.780 3.868 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL HA 1 25 LYS H 1.800 . 3.000 2.153 2.136 2.180 . 0 0 "[ . 1 . 2]" 1
291 1 24 VAL MG1 1 25 LYS H 1.800 . 5.500 3.994 3.923 4.124 . 0 0 "[ . 1 . 2]" 1
292 1 24 VAL MG2 1 25 LYS H 1.800 . 5.000 2.588 2.369 2.839 . 0 0 "[ . 1 . 2]" 1
293 1 24 VAL H 1 25 LYS H 1.800 . 5.000 4.480 4.398 4.547 . 0 0 "[ . 1 . 2]" 1
294 1 24 VAL HB 1 25 LYS H 1.800 . 5.500 4.246 4.189 4.358 . 0 0 "[ . 1 . 2]" 1
295 1 24 VAL HA 1 24 VAL QG 1.800 . 4.000 2.277 2.195 2.331 . 0 0 "[ . 1 . 2]" 1
296 1 24 VAL MG2 1 29 VAL HA 1.800 . 5.000 4.325 3.759 4.916 . 0 0 "[ . 1 . 2]" 1
297 1 24 VAL MG2 1 29 VAL MG2 1.800 . 4.000 1.951 1.796 2.289 0.004 5 0 "[ . 1 . 2]" 1
298 1 24 VAL MG2 1 29 VAL H 1.800 . 5.500 3.770 3.296 4.316 . 0 0 "[ . 1 . 2]" 1
299 1 24 VAL MG1 1 64 ILE MD 1.800 . 6.000 3.425 1.855 4.573 . 0 0 "[ . 1 . 2]" 1
300 1 25 LYS H 1 25 LYS QG 1.800 . 4.000 3.229 2.304 4.011 0.011 10 0 "[ . 1 . 2]" 1
301 1 25 LYS HA 1 26 TYR H 1.800 . 3.000 2.212 2.161 2.287 . 0 0 "[ . 1 . 2]" 1
302 1 25 LYS QB 1 26 TYR H 1.800 . 4.500 3.078 2.733 3.419 . 0 0 "[ . 1 . 2]" 1
303 1 25 LYS QE 1 26 TYR H 1.800 . 6.000 5.195 4.098 5.993 . 0 0 "[ . 1 . 2]" 1
304 1 25 LYS HA 1 28 ASP H 1.800 . 6.000 4.553 4.412 4.701 . 0 0 "[ . 1 . 2]" 1
305 1 25 LYS H 1 28 ASP QB 1.800 . 5.000 2.915 2.539 3.202 . 0 0 "[ . 1 . 2]" 1
306 1 25 LYS H 1 29 VAL QG 1.800 . 6.000 3.727 3.379 4.093 . 0 0 "[ . 1 . 2]" 1
307 1 25 LYS HA 1 27 GLU H 1.800 . 5.000 4.156 3.933 4.446 . 0 0 "[ . 1 . 2]" 1
308 1 25 LYS QG 1 27 GLU H 1.800 . 5.500 4.258 2.969 5.149 . 0 0 "[ . 1 . 2]" 1
309 1 25 LYS QG 1 28 ASP H 1.800 . 5.500 4.263 3.763 4.599 . 0 0 "[ . 1 . 2]" 1
310 1 25 LYS H 1 27 GLU H 1.800 . 6.000 5.512 5.293 5.799 . 0 0 "[ . 1 . 2]" 1
311 1 25 LYS H 1 28 ASP H 1.800 . 5.500 4.257 4.060 4.448 . 0 0 "[ . 1 . 2]" 1
312 1 25 LYS H 1 26 TYR H 1.800 . 5.500 4.539 4.471 4.598 . 0 0 "[ . 1 . 2]" 1
313 1 25 LYS H 1 25 LYS QB 1.800 . 3.300 2.316 2.128 2.585 . 0 0 "[ . 1 . 2]" 1
314 1 25 LYS QG 1 26 TYR H 1.800 . 6.000 3.766 2.548 4.758 . 0 0 "[ . 1 . 2]" 1
315 1 25 LYS H 1 25 LYS QD 1.800 . 4.000 3.579 2.689 4.011 0.011 5 0 "[ . 1 . 2]" 1
316 1 25 LYS QD 1 26 TYR H 1.800 . 6.000 4.423 3.150 5.286 . 0 0 "[ . 1 . 2]" 1
317 1 25 LYS QB 1 28 ASP H 1.800 . 4.000 2.409 2.052 2.659 . 0 0 "[ . 1 . 2]" 1
318 1 25 LYS HA 1 25 LYS QG 1.800 . 4.000 2.445 2.020 3.125 . 0 0 "[ . 1 . 2]" 1
319 1 25 LYS HA 1 25 LYS QD 1.800 . 4.000 2.948 1.956 3.995 . 0 0 "[ . 1 . 2]" 1
320 1 25 LYS QE 1 25 LYS QG 1.800 . 4.000 2.130 1.993 2.344 . 0 0 "[ . 1 . 2]" 1
321 1 25 LYS QB 1 25 LYS QE 1.800 . 4.000 3.384 2.135 3.797 . 0 0 "[ . 1 . 2]" 1
322 1 25 LYS QE 1 57 GLN QG 1.800 . 6.000 5.361 4.234 6.001 0.001 18 0 "[ . 1 . 2]" 1
323 1 25 LYS QB 1 28 ASP QB 1.800 . 4.500 2.452 1.954 3.038 . 0 0 "[ . 1 . 2]" 1
324 1 25 LYS HA 1 57 GLN HE22 1.800 . 4.000 3.066 2.089 4.034 0.034 2 0 "[ . 1 . 2]" 1
325 1 25 LYS HA 1 57 GLN HE21 1.800 . 4.500 3.590 2.376 4.535 0.035 15 0 "[ . 1 . 2]" 1
326 1 26 TYR H 1 26 TYR QB 1.800 . 3.500 2.255 2.221 2.268 . 0 0 "[ . 1 . 2]" 1
327 1 26 TYR HA 1 27 GLU H 1.800 . 4.500 3.546 3.525 3.573 . 0 0 "[ . 1 . 2]" 1
328 1 26 TYR QB 1 27 GLU H 1.800 . 4.000 2.571 2.371 2.700 . 0 0 "[ . 1 . 2]" 1
329 1 26 TYR HA 1 28 ASP H 1.800 . 5.000 4.412 4.303 4.496 . 0 0 "[ . 1 . 2]" 1
330 1 26 TYR HA 1 29 VAL H 1.800 . 4.000 3.509 3.359 3.636 . 0 0 "[ . 1 . 2]" 1
331 1 26 TYR HA 1 30 GLU H 1.800 . 5.000 3.875 3.540 4.165 . 0 0 "[ . 1 . 2]" 1
332 1 26 TYR H 1 26 TYR QD 1.800 . 5.000 4.198 4.154 4.215 . 0 0 "[ . 1 . 2]" 1
333 1 26 TYR H 1 28 ASP H 1.800 . 5.500 4.282 4.037 4.438 . 0 0 "[ . 1 . 2]" 1
334 1 26 TYR QD 1 27 GLU H 1.800 . 4.000 3.552 2.857 3.892 . 0 0 "[ . 1 . 2]" 1
335 1 26 TYR QD 1 30 GLU H 1.800 . 6.000 4.510 3.788 4.787 . 0 0 "[ . 1 . 2]" 1
336 1 26 TYR H 1 27 GLU H 1.800 . 3.500 2.770 2.702 2.855 . 0 0 "[ . 1 . 2]" 1
337 1 26 TYR H 1 57 GLN HA 1.800 . 5.000 4.568 4.169 4.898 . 0 0 "[ . 1 . 2]" 1
338 1 26 TYR QD 1 57 GLN H 1.800 . 5.500 4.752 3.455 5.490 . 0 0 "[ . 1 . 2]" 1
339 1 26 TYR QD 1 56 ASN H 1.800 . 6.000 5.464 4.585 6.011 0.011 20 0 "[ . 1 . 2]" 1
340 1 26 TYR QE 1 56 ASN H 1.800 . 6.000 4.965 3.645 5.672 . 0 0 "[ . 1 . 2]" 1
341 1 26 TYR QE 1 54 LEU H 1.800 . 6.000 5.315 4.814 5.772 . 0 0 "[ . 1 . 2]" 1
342 1 26 TYR H 1 60 LEU QD 1.800 . 6.000 3.634 2.340 4.707 . 0 0 "[ . 1 . 2]" 1
343 1 26 TYR H 1 57 GLN HB3 1.800 . 6.000 5.304 4.392 5.785 . 0 0 "[ . 1 . 2]" 1
344 1 26 TYR QD 1 27 GLU HA 1.800 . 5.000 3.308 2.783 3.829 . 0 0 "[ . 1 . 2]" 1
345 1 26 TYR QE 1 27 GLU HA 1.800 . 6.000 4.751 4.008 5.115 . 0 0 "[ . 1 . 2]" 1
346 1 26 TYR QD 1 56 ASN HA 1.800 . 5.500 4.252 2.862 5.212 . 0 0 "[ . 1 . 2]" 1
347 1 26 TYR QE 1 56 ASN HA 1.800 . 5.500 4.488 3.308 5.139 . 0 0 "[ . 1 . 2]" 1
348 1 26 TYR QD 1 57 GLN HA 1.800 . 5.500 3.731 2.654 4.472 . 0 0 "[ . 1 . 2]" 1
349 1 26 TYR QE 1 57 GLN HA 1.800 . 6.000 5.345 4.524 5.961 . 0 0 "[ . 1 . 2]" 1
350 1 26 TYR HA 1 29 VAL HB 1.800 . 4.000 3.038 2.791 3.376 . 0 0 "[ . 1 . 2]" 1
351 1 26 TYR HA 1 29 VAL MG2 1.800 . 4.500 2.849 2.448 3.200 . 0 0 "[ . 1 . 2]" 1
352 1 26 TYR QB 1 57 GLN HA 1.800 . 5.500 2.871 2.269 3.288 . 0 0 "[ . 1 . 2]" 1
353 1 26 TYR QD 1 27 GLU QG 1.800 . 6.000 3.802 3.058 4.843 . 0 0 "[ . 1 . 2]" 1
354 1 26 TYR QE 1 27 GLU QG 1.800 . 6.000 5.249 4.648 6.028 0.028 10 0 "[ . 1 . 2]" 1
355 1 26 TYR HA 1 26 TYR QD 1.800 . 5.000 2.864 2.548 3.105 . 0 0 "[ . 1 . 2]" 1
356 1 26 TYR HA 1 26 TYR QE 1.800 . 5.500 4.648 4.552 4.777 . 0 0 "[ . 1 . 2]" 1
357 1 26 TYR QE 1 30 GLU QG 1.800 . 6.000 3.222 2.044 4.528 . 0 0 "[ . 1 . 2]" 1
358 1 26 TYR QE 1 54 LEU QB 1.800 . 5.000 2.263 1.902 2.861 . 0 0 "[ . 1 . 2]" 1
359 1 26 TYR QB 1 57 GLN QB 1.800 . 6.000 3.493 2.579 4.338 . 0 0 "[ . 1 . 2]" 1
360 1 26 TYR QD 1 60 LEU QB 1.800 . 5.000 2.929 2.058 3.776 . 0 0 "[ . 1 . 2]" 1
361 1 26 TYR QB 1 60 LEU QD 1.800 . 5.000 2.895 1.922 3.879 . 0 0 "[ . 1 . 2]" 1
362 1 26 TYR QD 1 60 LEU QD 1.800 . 5.500 2.449 1.864 3.295 . 0 0 "[ . 1 . 2]" 1
363 1 26 TYR QE 1 55 LYS HA 1.800 . 5.000 4.359 3.273 4.950 . 0 0 "[ . 1 . 2]" 1
364 1 26 TYR H 1 57 GLN HE22 1.800 . 4.500 3.414 2.268 4.458 . 0 0 "[ . 1 . 2]" 1
365 1 26 TYR H 1 57 GLN HE21 1.800 . 5.500 3.300 2.108 4.921 . 0 0 "[ . 1 . 2]" 1
366 1 27 GLU H 1 27 GLU QB 1.800 . 3.500 2.230 2.073 2.619 . 0 0 "[ . 1 . 2]" 1
367 1 27 GLU H 1 27 GLU QG 1.800 . 4.000 3.088 1.998 3.858 . 0 0 "[ . 1 . 2]" 1
368 1 27 GLU QB 1 28 ASP H 1.800 . 4.000 2.655 2.495 3.463 . 0 0 "[ . 1 . 2]" 1
369 1 27 GLU H 1 28 ASP H 1.800 . 3.500 2.727 2.648 2.775 . 0 0 "[ . 1 . 2]" 1
370 1 27 GLU H 1 29 VAL H 1.800 . 5.000 4.261 4.122 4.392 . 0 0 "[ . 1 . 2]" 1
371 1 27 GLU HA 1 28 ASP H 1.800 . 4.000 3.547 3.527 3.563 . 0 0 "[ . 1 . 2]" 1
372 1 27 GLU HA 1 30 GLU H 1.800 . 4.000 3.669 3.520 3.774 . 0 0 "[ . 1 . 2]" 1
373 1 27 GLU HA 1 31 HIS H 1.800 . 4.500 3.845 3.625 4.071 . 0 0 "[ . 1 . 2]" 1
374 1 27 GLU QG 1 28 ASP H 1.800 . 5.000 4.168 2.143 4.484 . 0 0 "[ . 1 . 2]" 1
375 1 27 GLU QB 1 31 HIS H 1.800 . 6.000 4.779 4.452 5.138 . 0 0 "[ . 1 . 2]" 1
376 1 27 GLU H 1 30 GLU H 1.800 . 6.000 4.772 4.631 4.869 . 0 0 "[ . 1 . 2]" 1
377 1 27 GLU H 1 28 ASP QB 1.800 . 5.500 4.508 4.356 4.787 . 0 0 "[ . 1 . 2]" 1
378 1 27 GLU HA 1 27 GLU QG 1.800 . 4.000 2.285 2.035 3.364 . 0 0 "[ . 1 . 2]" 1
379 1 27 GLU HA 1 30 GLU QB 1.800 . 4.000 2.887 2.566 3.786 . 0 0 "[ . 1 . 2]" 1
380 1 28 ASP H 1 28 ASP QB 1.800 . 3.500 2.218 2.080 2.467 . 0 0 "[ . 1 . 2]" 1
381 1 28 ASP HA 1 29 VAL H 1.800 . 4.000 3.553 3.540 3.560 . 0 0 "[ . 1 . 2]" 1
382 1 28 ASP QB 1 29 VAL H 1.800 . 3.500 2.575 2.489 2.718 . 0 0 "[ . 1 . 2]" 1
383 1 28 ASP H 1 29 VAL H 1.800 . 3.300 2.697 2.635 2.735 . 0 0 "[ . 1 . 2]" 1
384 1 28 ASP H 1 30 GLU H 1.800 . 4.500 4.263 4.163 4.339 . 0 0 "[ . 1 . 2]" 1
385 1 28 ASP HA 1 31 HIS H 1.800 . 4.000 3.693 3.507 3.847 . 0 0 "[ . 1 . 2]" 1
386 1 28 ASP H 1 29 VAL MG2 1.800 . 5.500 4.077 4.002 4.152 . 0 0 "[ . 1 . 2]" 1
387 1 28 ASP HA 1 31 HIS QB 1.800 . 5.000 2.714 2.478 2.917 . 0 0 "[ . 1 . 2]" 1
388 1 28 ASP H 1 29 VAL MG1 1.800 . 7.000 5.978 5.914 6.017 . 0 0 "[ . 1 . 2]" 1
389 1 29 VAL H 1 29 VAL MG2 1.800 . 3.500 2.120 1.982 2.216 . 0 0 "[ . 1 . 2]" 1
390 1 29 VAL H 1 29 VAL MG1 1.800 . 4.000 3.782 3.777 3.790 . 0 0 "[ . 1 . 2]" 1
391 1 29 VAL HB 1 30 GLU H 1.800 . 3.000 2.454 2.416 2.519 . 0 0 "[ . 1 . 2]" 1
392 1 29 VAL QG 1 30 GLU H 1.800 . 4.000 3.192 3.165 3.214 . 0 0 "[ . 1 . 2]" 1
393 1 29 VAL H 1 30 GLU H 1.800 . 3.300 2.681 2.601 2.750 . 0 0 "[ . 1 . 2]" 1
394 1 29 VAL HA 1 30 GLU H 1.800 . 4.000 3.563 3.550 3.569 . 0 0 "[ . 1 . 2]" 1
395 1 29 VAL H 1 31 HIS H 1.800 . 5.000 4.066 3.977 4.156 . 0 0 "[ . 1 . 2]" 1
396 1 29 VAL HA 1 32 LYS H 1.800 . 4.000 3.628 3.505 3.804 . 0 0 "[ . 1 . 2]" 1
397 1 29 VAL H 1 29 VAL HB 1.800 . 3.300 2.645 2.601 2.684 . 0 0 "[ . 1 . 2]" 1
398 1 29 VAL HA 1 33 VAL H 1.800 . 5.000 4.374 3.980 4.698 . 0 0 "[ . 1 . 2]" 1
399 1 29 VAL HA 1 31 HIS H 1.800 . 5.000 4.437 4.330 4.626 . 0 0 "[ . 1 . 2]" 1
400 1 29 VAL HA 1 29 VAL QG 1.800 . 4.000 2.109 2.037 2.178 . 0 0 "[ . 1 . 2]" 1
401 1 29 VAL HA 1 32 LYS QB 1.800 . 5.000 3.096 2.911 3.460 . 0 0 "[ . 1 . 2]" 1
402 1 30 GLU HA 1 31 HIS H 1.800 . 4.000 3.543 3.521 3.555 . 0 0 "[ . 1 . 2]" 1
403 1 30 GLU QB 1 31 HIS H 1.800 . 3.500 2.665 2.488 3.516 0.016 9 0 "[ . 1 . 2]" 1
404 1 30 GLU H 1 31 HIS H 1.800 . 3.300 2.721 2.658 2.767 . 0 0 "[ . 1 . 2]" 1
405 1 30 GLU HA 1 32 LYS H 1.800 . 5.000 4.371 4.161 4.543 . 0 0 "[ . 1 . 2]" 1
406 1 30 GLU HA 1 34 THR H 1.800 . 5.500 3.877 3.549 4.082 . 0 0 "[ . 1 . 2]" 1
407 1 30 GLU H 1 30 GLU QB 1.800 . 3.500 2.161 2.052 2.434 . 0 0 "[ . 1 . 2]" 1
408 1 30 GLU H 1 30 GLU QG 1.800 . 4.000 3.692 2.294 4.016 0.016 10 0 "[ . 1 . 2]" 1
409 1 30 GLU QG 1 31 HIS H 1.800 . 5.000 4.102 2.239 4.501 . 0 0 "[ . 1 . 2]" 1
410 1 30 GLU H 1 32 LYS H 1.800 . 4.500 4.307 4.151 4.488 . 0 0 "[ . 1 . 2]" 1
411 1 30 GLU HA 1 33 VAL H 1.800 . 4.000 3.453 3.308 3.550 . 0 0 "[ . 1 . 2]" 1
412 1 30 GLU HA 1 30 GLU QG 1.800 . 4.000 2.294 2.041 3.349 . 0 0 "[ . 1 . 2]" 1
413 1 30 GLU HA 1 33 VAL HB 1.800 . 4.000 2.879 2.594 3.103 . 0 0 "[ . 1 . 2]" 1
414 1 30 GLU HA 1 33 VAL QG 1.800 . 5.000 2.686 2.303 2.944 . 0 0 "[ . 1 . 2]" 1
415 1 30 GLU HA 1 43 LEU QD 1.800 . 6.000 3.405 2.891 3.994 . 0 0 "[ . 1 . 2]" 1
416 1 30 GLU QG 1 34 THR HB 1.800 . 6.000 4.714 3.252 5.765 . 0 0 "[ . 1 . 2]" 1
417 1 31 HIS H 1 31 HIS QB 1.800 . 3.300 2.148 2.053 2.247 . 0 0 "[ . 1 . 2]" 1
418 1 31 HIS QB 1 32 LYS H 1.800 . 3.500 2.633 2.466 2.801 . 0 0 "[ . 1 . 2]" 1
419 1 31 HIS HA 1 34 THR H 1.800 . 4.000 3.707 3.563 3.979 . 0 0 "[ . 1 . 2]" 1
420 1 31 HIS HA 1 32 LYS H 1.800 . 4.000 3.551 3.533 3.570 . 0 0 "[ . 1 . 2]" 1
421 1 31 HIS H 1 31 HIS HD2 1.800 . 6.000 4.644 2.859 5.427 . 0 0 "[ . 1 . 2]" 1
422 1 31 HIS H 1 33 VAL H 1.800 . 5.500 4.309 4.133 4.386 . 0 0 "[ . 1 . 2]" 1
423 1 31 HIS HA 1 34 THR HB 1.800 . 4.000 3.148 2.725 3.988 . 0 0 "[ . 1 . 2]" 1
424 1 31 HIS HA 1 34 THR HG1 1.800 . 5.000 3.053 1.867 4.130 . 0 0 "[ . 1 . 2]" 1
425 1 32 LYS H 1 32 LYS QB 1.800 . 3.300 2.174 2.082 2.270 . 0 0 "[ . 1 . 2]" 1
426 1 32 LYS HA 1 33 VAL H 1.800 . 4.000 3.561 3.539 3.569 . 0 0 "[ . 1 . 2]" 1
427 1 32 LYS QB 1 33 VAL H 1.800 . 5.000 2.511 2.424 2.619 . 0 0 "[ . 1 . 2]" 1
428 1 32 LYS HA 1 35 THR H 1.800 . 4.000 3.568 3.463 3.762 . 0 0 "[ . 1 . 2]" 1
429 1 32 LYS H 1 32 LYS QG 1.800 . 5.500 3.667 2.772 4.013 . 0 0 "[ . 1 . 2]" 1
430 1 32 LYS H 1 32 LYS QD 1.800 . 4.500 4.105 3.278 4.506 0.006 12 0 "[ . 1 . 2]" 1
431 1 32 LYS H 1 34 THR H 1.800 . 5.500 4.186 4.081 4.300 . 0 0 "[ . 1 . 2]" 1
432 1 32 LYS HA 1 36 VAL H 1.800 . 5.000 3.957 3.637 4.222 . 0 0 "[ . 1 . 2]" 1
433 1 32 LYS H 1 33 VAL QG 1.800 . 6.000 4.004 3.877 4.096 . 0 0 "[ . 1 . 2]" 1
434 1 32 LYS HA 1 32 LYS QD 1.800 . 4.000 3.595 2.567 4.015 0.015 10 0 "[ . 1 . 2]" 1
435 1 32 LYS HA 1 32 LYS QE 1.800 . 6.000 4.356 3.533 4.730 . 0 0 "[ . 1 . 2]" 1
436 1 32 LYS HA 1 32 LYS QG 1.800 . 4.500 2.220 2.086 2.354 . 0 0 "[ . 1 . 2]" 1
437 1 32 LYS HA 1 35 THR HG1 1.800 . 6.000 3.387 2.882 4.140 . 0 0 "[ . 1 . 2]" 1
438 1 32 LYS QB 1 32 LYS QD 1.800 . 4.000 2.086 1.948 2.488 . 0 0 "[ . 1 . 2]" 1
439 1 32 LYS QB 1 32 LYS QE 1.800 . 4.500 3.232 2.178 3.689 . 0 0 "[ . 1 . 2]" 1
440 1 32 LYS QE 1 32 LYS QG 1.800 . 3.500 2.115 1.945 2.814 . 0 0 "[ . 1 . 2]" 1
441 1 32 LYS HA 1 35 THR HB 1.800 . 4.000 2.956 2.724 3.171 . 0 0 "[ . 1 . 2]" 1
442 1 33 VAL H 1 33 VAL MG2 1.800 . 4.000 2.101 2.020 2.220 . 0 0 "[ . 1 . 2]" 1
443 1 33 VAL H 1 33 VAL MG1 1.800 . 5.000 3.778 3.769 3.782 . 0 0 "[ . 1 . 2]" 1
444 1 33 VAL HA 1 34 THR H 1.800 . 4.000 3.555 3.539 3.568 . 0 0 "[ . 1 . 2]" 1
445 1 33 VAL HB 1 34 THR H 1.800 . 3.300 2.532 2.423 2.608 . 0 0 "[ . 1 . 2]" 1
446 1 33 VAL QG 1 34 THR H 1.800 . 5.000 3.224 3.159 3.271 . 0 0 "[ . 1 . 2]" 1
447 1 33 VAL H 1 34 THR H 1.800 . 3.300 2.740 2.648 2.824 . 0 0 "[ . 1 . 2]" 1
448 1 33 VAL HA 1 36 VAL H 1.800 . 4.000 3.613 3.497 3.797 . 0 0 "[ . 1 . 2]" 1
449 1 33 VAL HA 1 37 PHE H 1.800 . 4.500 3.864 3.595 4.091 . 0 0 "[ . 1 . 2]" 1
450 1 33 VAL MG1 1 41 LEU H 1.800 . 5.000 3.646 2.790 4.316 . 0 0 "[ . 1 . 2]" 1
451 1 33 VAL MG2 1 41 LEU H 1.800 . 6.000 5.662 4.894 6.008 0.008 17 0 "[ . 1 . 2]" 1
452 1 33 VAL QG 1 37 PHE H 1.800 . 6.000 3.841 3.576 3.984 . 0 0 "[ . 1 . 2]" 1
453 1 33 VAL H 1 33 VAL HB 1.800 . 3.300 2.656 2.620 2.718 . 0 0 "[ . 1 . 2]" 1
454 1 33 VAL HA 1 33 VAL MG1 1.800 . 4.000 2.309 2.221 2.401 . 0 0 "[ . 1 . 2]" 1
455 1 33 VAL HA 1 33 VAL MG2 1.800 . 4.000 2.413 2.362 2.484 . 0 0 "[ . 1 . 2]" 1
456 1 33 VAL HA 1 36 VAL HB 1.800 . 4.000 3.103 2.902 4.009 0.009 9 0 "[ . 1 . 2]" 1
457 1 33 VAL HA 1 36 VAL MG2 1.800 . 5.500 3.132 2.592 4.475 . 0 0 "[ . 1 . 2]" 1
458 1 33 VAL MG1 1 37 PHE QB 1.800 . 5.000 3.425 2.961 3.716 . 0 0 "[ . 1 . 2]" 1
459 1 33 VAL MG2 1 37 PHE QB 1.800 . 6.000 5.678 5.357 5.941 . 0 0 "[ . 1 . 2]" 1
460 1 33 VAL HA 1 37 PHE QD 1.800 . 5.000 3.509 2.745 4.080 . 0 0 "[ . 1 . 2]" 1
461 1 34 THR H 1 34 THR MG 1.800 . 4.500 3.447 2.217 3.760 . 0 0 "[ . 1 . 2]" 1
462 1 34 THR HA 1 37 PHE H 1.800 . 4.000 3.952 3.880 4.015 0.015 19 0 "[ . 1 . 2]" 1
463 1 34 THR MG 1 38 GLY H 1.800 . 6.000 4.300 3.949 5.027 . 0 0 "[ . 1 . 2]" 1
464 1 34 THR MG 1 39 GLN H 1.800 . 6.000 3.556 2.901 5.022 . 0 0 "[ . 1 . 2]" 1
465 1 34 THR HA 1 39 GLN H 1.800 . 5.000 2.976 2.683 3.342 . 0 0 "[ . 1 . 2]" 1
466 1 34 THR HA 1 41 LEU H 1.800 . 6.000 3.831 3.232 4.812 . 0 0 "[ . 1 . 2]" 1
467 1 34 THR MG 1 41 LEU H 1.800 . 6.000 4.415 3.793 5.557 . 0 0 "[ . 1 . 2]" 1
468 1 34 THR H 1 39 GLN H 1.800 . 6.000 5.680 5.381 6.022 0.022 19 0 "[ . 1 . 2]" 1
469 1 34 THR H 1 34 THR HB 1.800 . 3.300 2.572 2.484 2.782 . 0 0 "[ . 1 . 2]" 1
470 1 34 THR HA 1 35 THR H 1.800 . 4.000 3.547 3.539 3.554 . 0 0 "[ . 1 . 2]" 1
471 1 34 THR H 1 40 PRO HA 1.800 . 6.000 5.043 3.825 5.786 . 0 0 "[ . 1 . 2]" 1
472 1 34 THR H 1 38 GLY H 1.800 . 6.000 5.589 5.512 5.698 . 0 0 "[ . 1 . 2]" 1
473 1 34 THR HA 1 34 THR MG 1.800 . 4.000 2.565 2.245 3.238 . 0 0 "[ . 1 . 2]" 1
474 1 34 THR HA 1 40 PRO HA 1.800 . 5.000 3.535 2.695 4.039 . 0 0 "[ . 1 . 2]" 1
475 1 35 THR H 1 35 THR HB 1.800 . 3.300 2.555 2.448 2.739 . 0 0 "[ . 1 . 2]" 1
476 1 35 THR H 1 35 THR MG 1.800 . 4.000 3.776 3.759 3.787 . 0 0 "[ . 1 . 2]" 1
477 1 35 THR HA 1 36 VAL H 1.800 . 4.000 3.569 3.561 3.578 . 0 0 "[ . 1 . 2]" 1
478 1 35 THR HB 1 36 VAL H 1.800 . 3.500 2.561 2.481 2.648 . 0 0 "[ . 1 . 2]" 1
479 1 35 THR MG 1 36 VAL H 1.800 . 4.000 3.523 3.379 3.716 . 0 0 "[ . 1 . 2]" 1
480 1 35 THR H 1 36 VAL H 1.800 . 3.300 2.652 2.622 2.683 . 0 0 "[ . 1 . 2]" 1
481 1 35 THR H 1 37 PHE H 1.800 . 5.500 4.317 4.255 4.365 . 0 0 "[ . 1 . 2]" 1
482 1 35 THR HA 1 37 PHE H 1.800 . 6.000 4.726 4.659 4.800 . 0 0 "[ . 1 . 2]" 1
483 1 35 THR H 1 35 THR HG1 1.800 . 5.000 2.862 2.133 3.202 . 0 0 "[ . 1 . 2]" 1
484 1 35 THR H 1 36 VAL QG 1.800 . 6.000 4.000 3.765 4.114 . 0 0 "[ . 1 . 2]" 1
485 1 35 THR H 1 36 VAL HB 1.800 . 6.000 4.967 4.925 5.092 . 0 0 "[ . 1 . 2]" 1
486 1 35 THR HA 1 38 GLY H 1.800 . 3.500 3.479 3.414 3.527 0.027 19 0 "[ . 1 . 2]" 1
487 1 36 VAL H 1 36 VAL HB 1.800 . 3.300 2.627 2.541 2.684 . 0 0 "[ . 1 . 2]" 1
488 1 36 VAL H 1 36 VAL MG1 1.800 . 4.000 3.618 2.106 3.791 . 0 0 "[ . 1 . 2]" 1
489 1 36 VAL H 1 36 VAL MG2 1.800 . 5.500 2.277 2.060 3.783 . 0 0 "[ . 1 . 2]" 1
490 1 36 VAL HA 1 37 PHE H 1.800 . 4.000 3.575 3.570 3.580 . 0 0 "[ . 1 . 2]" 1
491 1 36 VAL HB 1 37 PHE H 1.800 . 4.000 2.579 2.415 3.868 . 0 0 "[ . 1 . 2]" 1
492 1 36 VAL QG 1 37 PHE H 1.800 . 5.500 3.032 1.924 3.189 . 0 0 "[ . 1 . 2]" 1
493 1 36 VAL QG 1 38 GLY H 1.800 . 6.000 4.416 3.742 4.554 . 0 0 "[ . 1 . 2]" 1
494 1 36 VAL HA 1 38 GLY H 1.800 . 5.000 4.393 4.187 4.555 . 0 0 "[ . 1 . 2]" 1
495 1 36 VAL HB 1 38 GLY H 1.800 . 5.500 4.759 4.608 5.532 0.032 14 0 "[ . 1 . 2]" 1
496 1 36 VAL H 1 37 PHE H 1.800 . 3.500 2.821 2.764 2.856 . 0 0 "[ . 1 . 2]" 1
497 1 36 VAL H 1 38 GLY H 1.800 . 5.000 3.841 3.727 3.909 . 0 0 "[ . 1 . 2]" 1
498 1 36 VAL HA 1 36 VAL QG 1.800 . 3.500 2.130 2.061 2.308 . 0 0 "[ . 1 . 2]" 1
499 1 37 PHE HA 1 38 GLY H 1.800 . 4.000 3.465 3.402 3.497 . 0 0 "[ . 1 . 2]" 1
500 1 37 PHE H 1 38 GLY H 1.800 . 3.300 2.430 2.400 2.471 . 0 0 "[ . 1 . 2]" 1
501 1 37 PHE H 1 39 GLN H 1.800 . 4.500 4.007 3.866 4.124 . 0 0 "[ . 1 . 2]" 1
502 1 37 PHE H 1 37 PHE QD 1.800 . 5.000 3.013 1.889 3.332 . 0 0 "[ . 1 . 2]" 1
503 1 37 PHE H 1 37 PHE QB 1.800 . 3.500 2.401 2.366 2.424 . 0 0 "[ . 1 . 2]" 1
504 1 37 PHE QB 1 38 GLY H 1.800 . 4.500 3.004 2.889 3.196 . 0 0 "[ . 1 . 2]" 1
505 1 37 PHE H 1 37 PHE HZ 1.800 . 6.000 6.009 5.923 6.050 0.050 3 0 "[ . 1 . 2]" 1
506 1 37 PHE H 1 38 GLY QA 1.800 . 5.000 4.356 4.324 4.418 . 0 0 "[ . 1 . 2]" 1
507 1 37 PHE QB 1 41 LEU MD2 1.800 . 4.500 3.402 2.831 3.879 . 0 0 "[ . 1 . 2]" 1
508 1 37 PHE HA 1 37 PHE QD 1.800 . 4.000 2.345 2.049 3.128 . 0 0 "[ . 1 . 2]" 1
509 1 38 GLY QA 1 39 GLN H 1.800 . 3.500 2.866 2.784 2.945 . 0 0 "[ . 1 . 2]" 1
510 1 38 GLY H 1 39 GLN H 1.800 . 3.500 2.528 2.340 2.730 . 0 0 "[ . 1 . 2]" 1
511 1 38 GLY H 1 39 GLN HA 1.800 . 6.000 5.069 4.851 5.255 . 0 0 "[ . 1 . 2]" 1
512 1 39 GLN QB 1 41 LEU MD2 1.800 . 6.000 4.682 3.922 5.577 . 0 0 "[ . 1 . 2]" 1
513 1 39 GLN H 1 39 GLN QG 1.800 . 4.000 3.158 2.222 4.007 0.007 20 0 "[ . 1 . 2]" 1
514 1 39 GLN HA 1 39 GLN QE 1.800 . 5.500 4.620 3.550 5.524 0.024 13 0 "[ . 1 . 2]" 1
515 1 39 GLN QE 1 41 LEU HG 1.800 . 5.500 4.525 2.445 5.420 . 0 0 "[ . 1 . 2]" 1
516 1 39 GLN QE 1 41 LEU QD 1.800 . 6.000 3.497 1.965 5.126 . 0 0 "[ . 1 . 2]" 1
517 1 39 GLN H 1 40 PRO HA 1.800 . 6.000 4.851 4.679 5.019 . 0 0 "[ . 1 . 2]" 1
518 1 39 GLN H 1 41 LEU HG 1.800 . 6.000 5.789 5.018 6.029 0.029 9 0 "[ . 1 . 2]" 1
519 1 39 GLN H 1 41 LEU QD 1.800 . 6.000 3.258 3.014 3.503 . 0 0 "[ . 1 . 2]" 1
520 1 39 GLN H 1 41 LEU MD2 1.800 . 6.000 5.580 4.956 5.975 . 0 0 "[ . 1 . 2]" 1
521 1 39 GLN H 1 40 PRO QD 1.800 . 5.500 4.297 4.187 4.378 . 0 0 "[ . 1 . 2]" 1
522 1 40 PRO HA 1 41 LEU H 1.800 . 3.000 2.239 2.157 2.499 . 0 0 "[ . 1 . 2]" 1
523 1 40 PRO QB 1 41 LEU H 1.800 . 4.000 3.638 3.063 3.967 . 0 0 "[ . 1 . 2]" 1
524 1 40 PRO QG 1 84 ASP H 1.800 . 5.500 4.636 3.785 5.443 . 0 0 "[ . 1 . 2]" 1
525 1 40 PRO QG 1 83 GLN H 1.800 . 5.500 4.597 3.262 5.461 . 0 0 "[ . 1 . 2]" 1
526 1 41 LEU H 1 41 LEU QB 1.800 . 3.500 2.377 2.188 2.877 . 0 0 "[ . 1 . 2]" 1
527 1 41 LEU H 1 41 LEU MD2 1.800 . 4.500 4.367 4.128 4.513 0.013 13 0 "[ . 1 . 2]" 1
528 1 41 LEU H 1 41 LEU MD1 1.800 . 5.500 2.539 2.085 2.895 . 0 0 "[ . 1 . 2]" 1
529 1 41 LEU H 1 41 LEU HG 1.800 . 4.000 3.720 3.306 4.014 0.014 16 0 "[ . 1 . 2]" 1
530 1 41 LEU HA 1 42 ASP H 1.800 . 3.000 2.248 2.144 2.403 . 0 0 "[ . 1 . 2]" 1
531 1 41 LEU QB 1 42 ASP H 1.800 . 4.000 2.833 2.438 3.239 . 0 0 "[ . 1 . 2]" 1
532 1 41 LEU HG 1 42 ASP H 1.800 . 5.500 4.005 3.646 4.582 . 0 0 "[ . 1 . 2]" 1
533 1 41 LEU QB 1 81 LEU H 1.800 . 4.500 2.772 2.127 3.391 . 0 0 "[ . 1 . 2]" 1
534 1 41 LEU H 1 42 ASP H 1.800 . 5.000 4.523 4.399 4.601 . 0 0 "[ . 1 . 2]" 1
535 1 41 LEU QD 1 42 ASP H 1.800 . 6.000 3.843 3.530 4.168 . 0 0 "[ . 1 . 2]" 1
536 1 41 LEU H 1 41 LEU QD 1.800 . 5.000 2.521 2.081 2.863 . 0 0 "[ . 1 . 2]" 1
537 1 41 LEU HG 1 82 SER H 1.800 . 4.000 3.914 3.619 4.022 0.022 4 0 "[ . 1 . 2]" 1
538 1 41 LEU HG 1 83 GLN H 1.800 . 5.000 4.166 3.178 5.017 0.017 10 0 "[ . 1 . 2]" 1
539 1 41 LEU HA 1 41 LEU QD 1.800 . 5.000 2.979 2.838 3.176 . 0 0 "[ . 1 . 2]" 1
540 1 41 LEU HA 1 41 LEU HG 1.800 . 4.500 2.330 2.208 2.712 . 0 0 "[ . 1 . 2]" 1
541 1 41 LEU QB 1 80 LEU HA 1.800 . 5.500 3.363 2.949 4.129 . 0 0 "[ . 1 . 2]" 1
542 1 41 LEU QD 1 82 SER HA 1.800 . 6.000 3.217 2.807 3.854 . 0 0 "[ . 1 . 2]" 1
543 1 41 LEU HG 1 82 SER HA 1.800 . 4.000 2.513 2.057 3.209 . 0 0 "[ . 1 . 2]" 1
544 1 41 LEU QB 1 82 SER HA 1.800 . 5.500 4.002 3.167 4.572 . 0 0 "[ . 1 . 2]" 1
545 1 41 LEU QB 1 41 LEU QD 1.800 . 4.000 1.824 1.795 1.867 0.005 14 0 "[ . 1 . 2]" 1
546 1 41 LEU HA 1 42 ASP QB 1.800 . 4.000 4.003 3.973 4.028 0.028 8 0 "[ . 1 . 2]" 1
547 1 42 ASP H 1 42 ASP QB 1.800 . 3.500 2.234 2.121 2.382 . 0 0 "[ . 1 . 2]" 1
548 1 42 ASP QB 1 43 LEU H 1.800 . 4.000 3.501 3.268 3.739 . 0 0 "[ . 1 . 2]" 1
549 1 42 ASP HA 1 43 LEU H 1.800 . 3.000 2.191 2.145 2.221 . 0 0 "[ . 1 . 2]" 1
550 1 42 ASP H 1 81 LEU H 1.800 . 4.000 2.927 2.376 3.384 . 0 0 "[ . 1 . 2]" 1
551 1 42 ASP H 1 80 LEU HA 1.800 . 5.000 4.483 3.988 4.982 . 0 0 "[ . 1 . 2]" 1
552 1 42 ASP QB 1 81 LEU H 1.800 . 5.500 3.723 3.190 4.233 . 0 0 "[ . 1 . 2]" 1
553 1 42 ASP H 1 83 GLN HA 1.800 . 6.000 5.542 4.713 5.994 . 0 0 "[ . 1 . 2]" 1
554 1 42 ASP H 1 82 SER QB 1.800 . 6.000 5.508 4.897 5.897 . 0 0 "[ . 1 . 2]" 1
555 1 42 ASP H 1 81 LEU QB 1.800 . 5.500 4.163 3.258 5.087 . 0 0 "[ . 1 . 2]" 1
556 1 42 ASP HA 1 53 LEU QD 1.800 . 6.000 4.253 3.604 4.792 . 0 0 "[ . 1 . 2]" 1
557 1 42 ASP QB 1 53 LEU QD 1.800 . 5.000 3.254 2.210 3.774 . 0 0 "[ . 1 . 2]" 1
558 1 42 ASP QB 1 81 LEU QB 1.800 . 6.000 3.851 2.866 5.375 . 0 0 "[ . 1 . 2]" 1
559 1 42 ASP QB 1 44 HIS HD1 1.800 . 6.000 3.116 2.345 4.318 . 0 0 "[ . 1 . 2]" 1
560 1 43 LEU H 1 43 LEU QB 1.800 . 4.000 2.470 2.256 3.062 . 0 0 "[ . 1 . 2]" 1
561 1 43 LEU H 1 43 LEU HG 1.800 . 3.500 2.787 2.167 3.510 0.010 17 0 "[ . 1 . 2]" 1
562 1 43 LEU HA 1 44 HIS H 1.800 . 3.000 2.164 2.146 2.208 . 0 0 "[ . 1 . 2]" 1
563 1 43 LEU QB 1 44 HIS H 1.800 . 4.500 3.440 3.166 3.698 . 0 0 "[ . 1 . 2]" 1
564 1 43 LEU HA 1 81 LEU H 1.800 . 6.000 4.476 3.723 4.887 . 0 0 "[ . 1 . 2]" 1
565 1 43 LEU HA 1 79 LEU H 1.800 . 6.000 4.550 3.965 5.141 . 0 0 "[ . 1 . 2]" 1
566 1 43 LEU H 1 44 HIS HD1 1.800 . 6.000 4.956 3.697 6.000 . 0 0 "[ . 1 . 2]" 1
567 1 43 LEU H 1 44 HIS H 1.800 . 5.000 4.350 4.098 4.507 . 0 0 "[ . 1 . 2]" 1
568 1 43 LEU H 1 43 LEU QD 1.800 . 4.500 2.777 2.022 3.348 . 0 0 "[ . 1 . 2]" 1
569 1 43 LEU QB 1 45 TYR H 1.800 . 6.000 4.908 4.674 5.361 . 0 0 "[ . 1 . 2]" 1
570 1 43 LEU QB 1 54 LEU H 1.800 . 4.500 3.615 3.330 4.477 . 0 0 "[ . 1 . 2]" 1
571 1 43 LEU H 1 53 LEU MD2 1.800 . 5.000 4.289 3.495 5.017 0.017 12 0 "[ . 1 . 2]" 1
572 1 43 LEU H 1 54 LEU H 1.800 . 4.500 4.330 3.934 4.491 . 0 0 "[ . 1 . 2]" 1
573 1 43 LEU H 1 53 LEU HG 1.800 . 5.000 4.779 4.472 4.999 . 0 0 "[ . 1 . 2]" 1
574 1 43 LEU H 1 54 LEU HB3 1.800 . 5.000 4.870 4.052 5.007 0.007 19 0 "[ . 1 . 2]" 1
575 1 43 LEU HA 1 80 LEU HA 1.800 . 5.500 3.276 2.508 3.796 . 0 0 "[ . 1 . 2]" 1
576 1 43 LEU HA 1 43 LEU HG 1.800 . 4.500 2.790 2.323 3.720 . 0 0 "[ . 1 . 2]" 1
577 1 43 LEU HA 1 43 LEU QD 1.800 . 4.500 2.580 1.989 3.152 . 0 0 "[ . 1 . 2]" 1
578 1 43 LEU HA 1 80 LEU HG 1.800 . 6.000 4.797 4.030 5.743 . 0 0 "[ . 1 . 2]" 1
579 1 44 HIS H 1 44 HIS QB 1.800 . 3.500 2.293 2.184 2.418 . 0 0 "[ . 1 . 2]" 1
580 1 44 HIS HA 1 45 TYR H 1.800 . 3.000 2.147 2.128 2.165 . 0 0 "[ . 1 . 2]" 1
581 1 44 HIS H 1 45 TYR H 1.800 . 5.000 4.370 4.270 4.517 . 0 0 "[ . 1 . 2]" 1
582 1 44 HIS QB 1 45 TYR H 1.800 . 4.500 3.469 3.149 3.704 . 0 0 "[ . 1 . 2]" 1
583 1 44 HIS H 1 79 LEU H 1.800 . 4.000 3.030 2.516 3.627 . 0 0 "[ . 1 . 2]" 1
584 1 44 HIS H 1 80 LEU HA 1.800 . 5.000 3.780 3.233 4.308 . 0 0 "[ . 1 . 2]" 1
585 1 44 HIS QB 1 79 LEU H 1.800 . 6.000 3.145 2.794 3.590 . 0 0 "[ . 1 . 2]" 1
586 1 44 HIS HD1 1 81 LEU H 1.800 . 6.000 5.018 3.283 5.900 . 0 0 "[ . 1 . 2]" 1
587 1 44 HIS H 1 44 HIS HD1 1.800 . 4.500 3.677 2.653 4.403 . 0 0 "[ . 1 . 2]" 1
588 1 44 HIS HA 1 53 LEU H 1.800 . 5.500 5.239 4.923 5.480 . 0 0 "[ . 1 . 2]" 1
589 1 44 HIS HA 1 44 HIS HD1 1.800 . 4.500 2.837 2.123 3.150 . 0 0 "[ . 1 . 2]" 1
590 1 44 HIS HD1 1 45 TYR QB 1.800 . 6.000 5.505 4.735 6.022 0.022 12 0 "[ . 1 . 2]" 1
591 1 44 HIS HA 1 54 LEU H 1.800 . 4.500 3.234 2.949 3.644 . 0 0 "[ . 1 . 2]" 1
592 1 44 HIS H 1 78 ILE MG 1.800 . 5.000 2.632 2.182 3.203 . 0 0 "[ . 1 . 2]" 1
593 1 44 HIS H 1 81 LEU H 1.800 . 6.000 4.856 4.057 5.296 . 0 0 "[ . 1 . 2]" 1
594 1 44 HIS H 1 79 LEU QB 1.800 . 5.500 3.633 3.200 4.242 . 0 0 "[ . 1 . 2]" 1
595 1 44 HIS QB 1 51 SER QB 1.800 . 5.500 4.515 3.162 5.231 . 0 0 "[ . 1 . 2]" 1
596 1 44 HIS HA 1 54 LEU HG 1.800 . 5.500 4.774 3.618 5.506 0.006 4 0 "[ . 1 . 2]" 1
597 1 44 HIS HA 1 53 LEU QB 1.800 . 6.000 4.454 3.986 4.899 . 0 0 "[ . 1 . 2]" 1
598 1 44 HIS HA 1 53 LEU MD2 1.800 . 6.000 4.801 4.205 5.352 . 0 0 "[ . 1 . 2]" 1
599 1 44 HIS QB 1 79 LEU QD 1.800 . 6.000 3.409 2.564 4.135 . 0 0 "[ . 1 . 2]" 1
600 1 44 HIS QB 1 79 LEU QB 1.800 . 5.500 2.422 1.963 2.859 . 0 0 "[ . 1 . 2]" 1
601 1 44 HIS QB 1 79 LEU HG 1.800 . 5.500 4.655 3.636 5.496 . 0 0 "[ . 1 . 2]" 1
602 1 44 HIS QB 1 46 MET QG 1.800 . 6.000 3.854 3.161 4.840 . 0 0 "[ . 1 . 2]" 1
603 1 44 HIS HA 1 53 LEU HA 1.800 . 4.000 2.667 2.431 3.101 . 0 0 "[ . 1 . 2]" 1
604 1 44 HIS QB 1 81 LEU MD2 1.800 . 5.000 3.925 2.176 5.015 0.015 8 0 "[ . 1 . 2]" 1
605 1 44 HIS HA 1 44 HIS HD2 1.800 . 5.000 3.412 2.126 4.387 . 0 0 "[ . 1 . 2]" 1
606 1 44 HIS HD2 1 53 LEU HA 1.800 . 6.000 4.237 2.559 5.801 . 0 0 "[ . 1 . 2]" 1
607 1 45 TYR H 1 45 TYR QB 1.800 . 3.300 2.309 2.236 2.434 . 0 0 "[ . 1 . 2]" 1
608 1 45 TYR H 1 45 TYR QD 1.800 . 4.000 4.036 3.980 4.064 0.064 20 0 "[ . 1 . 2]" 1
609 1 45 TYR HA 1 46 MET H 1.800 . 3.000 2.158 2.141 2.170 . 0 0 "[ . 1 . 2]" 1
610 1 45 TYR QB 1 46 MET H 1.800 . 5.000 3.748 3.574 3.880 . 0 0 "[ . 1 . 2]" 1
611 1 45 TYR H 1 46 MET H 1.800 . 5.000 4.399 4.302 4.503 . 0 0 "[ . 1 . 2]" 1
612 1 45 TYR H 1 52 ILE H 1.800 . 4.000 3.611 3.148 3.984 . 0 0 "[ . 1 . 2]" 1
613 1 45 TYR H 1 52 ILE HB 1.800 . 5.000 3.893 3.303 4.343 . 0 0 "[ . 1 . 2]" 1
614 1 45 TYR H 1 52 ILE MG 1.800 . 6.000 4.523 4.238 4.840 . 0 0 "[ . 1 . 2]" 1
615 1 45 TYR H 1 53 LEU HA 1.800 . 4.500 3.204 2.860 3.843 . 0 0 "[ . 1 . 2]" 1
616 1 45 TYR H 1 54 LEU H 1.800 . 5.000 3.763 3.314 4.370 . 0 0 "[ . 1 . 2]" 1
617 1 45 TYR H 1 54 LEU HG 1.800 . 5.000 3.987 3.004 4.758 . 0 0 "[ . 1 . 2]" 1
618 1 45 TYR H 1 54 LEU QD 1.800 . 6.000 3.563 2.164 4.631 . 0 0 "[ . 1 . 2]" 1
619 1 45 TYR QD 1 77 ARG H 1.800 . 5.500 4.718 3.724 5.521 0.021 6 0 "[ . 1 . 2]" 1
620 1 45 TYR QE 1 77 ARG H 1.800 . 5.000 4.033 3.094 4.731 . 0 0 "[ . 1 . 2]" 1
621 1 45 TYR HA 1 79 LEU H 1.800 . 5.000 3.907 3.384 4.502 . 0 0 "[ . 1 . 2]" 1
622 1 45 TYR QD 1 47 ASN H 1.800 . 6.000 4.258 3.480 4.902 . 0 0 "[ . 1 . 2]" 1
623 1 45 TYR QE 1 47 ASN H 1.800 . 6.000 4.692 3.395 5.998 . 0 0 "[ . 1 . 2]" 1
624 1 45 TYR QD 1 52 ILE H 1.800 . 5.000 3.939 2.912 4.924 . 0 0 "[ . 1 . 2]" 1
625 1 45 TYR QD 1 46 MET H 1.800 . 4.500 3.723 3.181 4.008 . 0 0 "[ . 1 . 2]" 1
626 1 45 TYR QE 1 46 MET H 1.800 . 5.500 4.815 4.551 5.303 . 0 0 "[ . 1 . 2]" 1
627 1 45 TYR HA 1 78 ILE HA 1.800 . 4.000 2.981 2.689 3.329 . 0 0 "[ . 1 . 2]" 1
628 1 45 TYR HA 1 78 ILE QG 1.800 . 5.000 3.672 3.088 4.813 . 0 0 "[ . 1 . 2]" 1
629 1 45 TYR HA 1 78 ILE MD 1.800 . 6.000 4.806 2.276 5.466 . 0 0 "[ . 1 . 2]" 1
630 1 45 TYR QE 1 47 ASN QB 1.800 . 6.000 3.809 2.138 5.340 . 0 0 "[ . 1 . 2]" 1
631 1 45 TYR QE 1 66 ILE MD 1.800 . 6.000 3.755 2.515 4.953 . 0 0 "[ . 1 . 2]" 1
632 1 45 TYR QD 1 52 ILE HB 1.800 . 6.000 3.023 2.024 4.282 . 0 0 "[ . 1 . 2]" 1
633 1 45 TYR QD 1 52 ILE MD 1.800 . 6.000 2.918 1.947 5.587 . 0 0 "[ . 1 . 2]" 1
634 1 45 TYR HA 1 45 TYR QD 1.800 . 5.000 2.967 2.213 3.159 . 0 0 "[ . 1 . 2]" 1
635 1 45 TYR HA 1 45 TYR QE 1.800 . 6.000 4.674 4.207 4.892 . 0 0 "[ . 1 . 2]" 1
636 1 45 TYR QE 1 76 LEU QD 1.800 . 5.000 2.424 1.918 3.778 . 0 0 "[ . 1 . 2]" 1
637 1 46 MET H 1 46 MET QB 1.800 . 3.500 2.749 2.358 3.152 . 0 0 "[ . 1 . 2]" 1
638 1 46 MET H 1 46 MET QG 1.800 . 4.500 2.671 2.076 3.679 . 0 0 "[ . 1 . 2]" 1
639 1 46 MET HA 1 47 ASN H 1.800 . 3.000 2.158 2.124 2.184 . 0 0 "[ . 1 . 2]" 1
640 1 46 MET QB 1 47 ASN H 1.800 . 4.000 3.280 3.015 3.534 . 0 0 "[ . 1 . 2]" 1
641 1 46 MET H 1 47 ASN H 1.800 . 5.000 4.310 4.145 4.507 . 0 0 "[ . 1 . 2]" 1
642 1 46 MET QG 1 47 ASN H 1.800 . 6.000 4.280 3.794 4.717 . 0 0 "[ . 1 . 2]" 1
643 1 46 MET H 1 77 ARG H 1.800 . 6.000 5.486 4.958 6.005 0.005 8 0 "[ . 1 . 2]" 1
644 1 46 MET H 1 78 ILE HA 1.800 . 4.500 4.032 3.165 4.482 . 0 0 "[ . 1 . 2]" 1
645 1 46 MET H 1 79 LEU H 1.800 . 6.000 4.814 3.927 5.452 . 0 0 "[ . 1 . 2]" 1
646 1 46 MET QG 1 79 LEU H 1.800 . 6.000 4.748 3.906 5.962 . 0 0 "[ . 1 . 2]" 1
647 1 46 MET H 1 77 ARG QB 1.800 . 5.000 3.927 3.227 4.478 . 0 0 "[ . 1 . 2]" 1
648 1 46 MET HA 1 50 LEU H 1.800 . 5.500 5.170 4.362 5.513 0.013 15 0 "[ . 1 . 2]" 1
649 1 46 MET HA 1 52 ILE H 1.800 . 4.500 3.153 2.596 3.769 . 0 0 "[ . 1 . 2]" 1
650 1 46 MET QB 1 52 ILE H 1.800 . 5.000 4.633 3.409 5.027 0.027 5 0 "[ . 1 . 2]" 1
651 1 46 MET HA 1 51 SER HA 1.800 . 4.000 2.500 2.246 2.742 . 0 0 "[ . 1 . 2]" 1
652 1 46 MET QB 1 51 SER HA 1.800 . 5.000 3.578 2.353 4.184 . 0 0 "[ . 1 . 2]" 1
653 1 46 MET QG 1 51 SER HA 1.800 . 6.000 3.648 2.028 5.328 . 0 0 "[ . 1 . 2]" 1
654 1 46 MET QG 1 51 SER QB 1.800 . 6.000 3.881 2.217 5.818 . 0 0 "[ . 1 . 2]" 1
655 1 46 MET QG 1 79 LEU MD1 1.800 . 6.000 4.420 2.241 5.884 . 0 0 "[ . 1 . 2]" 1
656 1 46 MET QG 1 79 LEU MD2 1.800 . 5.500 4.134 2.873 5.397 . 0 0 "[ . 1 . 2]" 1
657 1 46 MET QG 1 79 LEU QB 1.800 . 5.000 4.130 3.020 4.793 . 0 0 "[ . 1 . 2]" 1
658 1 47 ASN H 1 50 LEU H 1.800 . 4.000 3.914 3.510 4.040 0.040 15 0 "[ . 1 . 2]" 1
659 1 47 ASN H 1 51 SER HA 1.800 . 4.000 3.711 3.346 4.024 0.024 5 0 "[ . 1 . 2]" 1
660 1 47 ASN H 1 52 ILE MD 1.800 . 6.000 3.931 2.424 5.307 . 0 0 "[ . 1 . 2]" 1
661 1 47 ASN HA 1 47 ASN QD 1.800 . 6.000 3.598 2.612 4.380 . 0 0 "[ . 1 . 2]" 1
662 1 47 ASN H 1 47 ASN QD 1.800 . 6.000 4.100 2.635 4.706 . 0 0 "[ . 1 . 2]" 1
663 1 47 ASN QD 1 50 LEU QB 1.800 . 6.000 4.728 2.888 5.960 . 0 0 "[ . 1 . 2]" 1
664 1 47 ASN QD 1 52 ILE MD 1.800 . 6.000 3.618 1.970 5.413 . 0 0 "[ . 1 . 2]" 1
665 1 47 ASN QD 1 66 ILE MD 1.800 . 5.000 2.988 2.147 3.911 . 0 0 "[ . 1 . 2]" 1
666 1 47 ASN H 1 49 GLU H 1.800 . 6.000 4.813 4.650 5.146 . 0 0 "[ . 1 . 2]" 1
667 1 47 ASN H 1 48 ASN H 1.800 . 6.000 2.603 2.350 2.997 . 0 0 "[ . 1 . 2]" 1
668 1 47 ASN HA 1 48 ASN H 1.800 . 4.000 3.564 3.551 3.576 . 0 0 "[ . 1 . 2]" 1
669 1 47 ASN H 1 51 SER QB 1.800 . 6.000 5.445 4.943 5.909 . 0 0 "[ . 1 . 2]" 1
670 1 47 ASN H 1 52 ILE H 1.800 . 5.500 4.424 4.047 4.934 . 0 0 "[ . 1 . 2]" 1
671 1 47 ASN H 1 52 ILE QG 1.800 . 6.000 4.556 3.661 5.498 . 0 0 "[ . 1 . 2]" 1
672 1 47 ASN QD 1 66 ILE MG 1.800 . 5.000 2.774 2.000 4.200 . 0 0 "[ . 1 . 2]" 1
673 1 47 ASN QD 1 66 ILE HG12 1.800 . 6.000 4.632 3.479 5.477 . 0 0 "[ . 1 . 2]" 1
674 1 47 ASN QB 1 50 LEU H 1.800 . 5.500 3.560 3.102 4.922 . 0 0 "[ . 1 . 2]" 1
675 1 47 ASN QB 1 50 LEU QB 1.800 . 5.500 3.731 3.238 4.683 . 0 0 "[ . 1 . 2]" 1
676 1 47 ASN QB 1 50 LEU QD 1.800 . 6.000 4.336 2.144 5.330 . 0 0 "[ . 1 . 2]" 1
677 1 47 ASN QB 1 52 ILE MD 1.800 . 5.000 3.537 2.136 4.637 . 0 0 "[ . 1 . 2]" 1
678 1 47 ASN QB 1 66 ILE MD 1.800 . 6.000 4.551 3.517 5.211 . 0 0 "[ . 1 . 2]" 1
679 1 47 ASN QB 1 48 ASN QB 1.800 . 6.000 3.298 2.949 3.968 . 0 0 "[ . 1 . 2]" 1
680 1 48 ASN QB 1 49 GLU H 1.800 . 3.500 2.198 1.988 2.484 . 0 0 "[ . 1 . 2]" 1
681 1 48 ASN H 1 49 GLU H 1.800 . 3.000 2.457 2.221 2.656 . 0 0 "[ . 1 . 2]" 1
682 1 48 ASN HA 1 49 GLU H 1.800 . 5.000 3.568 3.558 3.576 . 0 0 "[ . 1 . 2]" 1
683 1 48 ASN QB 1 50 LEU H 1.800 . 5.000 3.964 3.664 4.311 . 0 0 "[ . 1 . 2]" 1
684 1 48 ASN H 1 50 LEU H 1.800 . 3.500 2.647 2.310 2.857 . 0 0 "[ . 1 . 2]" 1
685 1 48 ASN HA 1 48 ASN QD 1.800 . 5.000 3.089 2.222 3.931 . 0 0 "[ . 1 . 2]" 1
686 1 48 ASN HA 1 49 GLU HA 1.800 . 5.000 4.567 4.553 4.589 . 0 0 "[ . 1 . 2]" 1
687 1 49 GLU H 1 49 GLU QB 1.800 . 3.500 2.513 2.256 2.881 . 0 0 "[ . 1 . 2]" 1
688 1 49 GLU HA 1 50 LEU H 1.800 . 4.000 3.390 3.072 3.529 . 0 0 "[ . 1 . 2]" 1
689 1 49 GLU QB 1 50 LEU H 1.800 . 4.500 3.299 2.795 3.709 . 0 0 "[ . 1 . 2]" 1
690 1 49 GLU H 1 50 LEU H 1.800 . 3.500 2.120 2.027 2.336 . 0 0 "[ . 1 . 2]" 1
691 1 49 GLU H 1 49 GLU QG 1.800 . 4.000 3.012 1.976 3.968 . 0 0 "[ . 1 . 2]" 1
692 1 49 GLU H 1 50 LEU QB 1.800 . 6.000 3.922 3.549 4.346 . 0 0 "[ . 1 . 2]" 1
693 1 49 GLU QB 1 50 LEU QD 1.800 . 5.000 3.547 2.571 5.000 . 0 0 "[ . 1 . 2]" 1
694 1 50 LEU H 1 50 LEU QB 1.800 . 4.000 2.452 2.237 3.100 . 0 0 "[ . 1 . 2]" 1
695 1 50 LEU H 1 50 LEU QD 1.800 . 6.000 3.319 2.141 3.945 . 0 0 "[ . 1 . 2]" 1
696 1 50 LEU H 1 50 LEU HG 1.800 . 6.000 4.249 2.492 4.798 . 0 0 "[ . 1 . 2]" 1
697 1 50 LEU HA 1 51 SER H 1.800 . 3.000 2.244 2.170 2.368 . 0 0 "[ . 1 . 2]" 1
698 1 50 LEU HG 1 51 SER H 1.800 . 4.500 3.513 2.081 4.519 0.019 9 0 "[ . 1 . 2]" 1
699 1 50 LEU QD 1 51 SER H 1.800 . 6.000 2.975 1.994 3.946 . 0 0 "[ . 1 . 2]" 1
700 1 50 LEU H 1 51 SER H 1.800 . 4.500 4.480 4.336 4.527 0.027 3 0 "[ . 1 . 2]" 1
701 1 50 LEU HA 1 50 LEU QD 1.800 . 4.500 2.506 1.903 3.380 . 0 0 "[ . 1 . 2]" 1
702 1 50 LEU QB 1 50 LEU QD 1.800 . 3.500 1.896 1.806 2.045 . 0 0 "[ . 1 . 2]" 1
703 1 50 LEU HA 1 50 LEU HG 1.800 . 4.000 2.835 2.184 3.680 . 0 0 "[ . 1 . 2]" 1
704 1 51 SER HA 1 52 ILE H 1.800 . 3.000 2.154 2.137 2.168 . 0 0 "[ . 1 . 2]" 1
705 1 51 SER QB 1 52 ILE H 1.800 . 4.500 3.372 3.113 3.753 . 0 0 "[ . 1 . 2]" 1
706 1 51 SER H 1 52 ILE H 1.800 . 5.000 4.380 4.282 4.473 . 0 0 "[ . 1 . 2]" 1
707 1 51 SER H 1 52 ILE QG 1.800 . 6.000 4.249 3.981 4.615 . 0 0 "[ . 1 . 2]" 1
708 1 52 ILE H 1 52 ILE HB 1.800 . 3.500 2.725 2.691 2.773 . 0 0 "[ . 1 . 2]" 1
709 1 52 ILE H 1 52 ILE QG 1.800 . 4.000 2.685 2.449 3.088 . 0 0 "[ . 1 . 2]" 1
710 1 52 ILE H 1 52 ILE MG 1.800 . 5.000 3.888 3.875 3.913 . 0 0 "[ . 1 . 2]" 1
711 1 52 ILE HA 1 53 LEU H 1.800 . 3.000 2.181 2.166 2.196 . 0 0 "[ . 1 . 2]" 1
712 1 52 ILE MG 1 53 LEU H 1.800 . 4.000 2.395 2.241 2.506 . 0 0 "[ . 1 . 2]" 1
713 1 52 ILE H 1 53 LEU H 1.800 . 4.500 4.424 4.385 4.447 . 0 0 "[ . 1 . 2]" 1
714 1 52 ILE HB 1 53 LEU H 1.800 . 4.000 4.014 3.984 4.029 0.029 9 0 "[ . 1 . 2]" 1
715 1 52 ILE QG 1 53 LEU H 1.800 . 5.000 4.321 4.212 4.701 . 0 0 "[ . 1 . 2]" 1
716 1 52 ILE HA 1 52 ILE QG 1.800 . 4.000 2.598 2.434 3.063 . 0 0 "[ . 1 . 2]" 1
717 1 52 ILE HA 1 52 ILE MG 1.800 . 4.000 2.315 2.164 2.388 . 0 0 "[ . 1 . 2]" 1
718 1 52 ILE HA 1 52 ILE MD 1.800 . 5.000 3.570 2.001 3.943 . 0 0 "[ . 1 . 2]" 1
719 1 53 LEU H 1 53 LEU QB 1.800 . 3.300 2.325 2.216 2.398 . 0 0 "[ . 1 . 2]" 1
720 1 53 LEU H 1 53 LEU QD 1.800 . 6.000 3.771 3.563 3.837 . 0 0 "[ . 1 . 2]" 1
721 1 53 LEU H 1 53 LEU HG 1.800 . 4.500 4.483 4.416 4.528 0.028 16 0 "[ . 1 . 2]" 1
722 1 53 LEU HA 1 54 LEU H 1.800 . 3.000 2.163 2.138 2.192 . 0 0 "[ . 1 . 2]" 1
723 1 53 LEU QB 1 54 LEU H 1.800 . 5.000 3.709 3.611 3.795 . 0 0 "[ . 1 . 2]" 1
724 1 53 LEU QD 1 54 LEU H 1.800 . 5.000 2.812 2.092 3.617 . 0 0 "[ . 1 . 2]" 1
725 1 53 LEU H 1 54 LEU H 1.800 . 5.000 4.484 4.376 4.564 . 0 0 "[ . 1 . 2]" 1
726 1 53 LEU MD1 1 55 LYS H 1.800 . 6.000 5.725 4.958 6.014 0.014 4 0 "[ . 1 . 2]" 1
727 1 53 LEU HA 1 53 LEU MD1 1.800 . 5.000 3.364 2.066 3.682 . 0 0 "[ . 1 . 2]" 1
728 1 53 LEU HA 1 53 LEU MD2 1.800 . 4.000 3.290 2.977 3.914 . 0 0 "[ . 1 . 2]" 1
729 1 53 LEU HA 1 53 LEU QD 1.800 . 5.000 2.864 2.058 3.095 . 0 0 "[ . 1 . 2]" 1
730 1 53 LEU QB 1 53 LEU QD 1.800 . 4.000 1.859 1.812 1.940 . 0 0 "[ . 1 . 2]" 1
731 1 54 LEU H 1 54 LEU QB 1.800 . 3.500 2.290 2.119 2.456 . 0 0 "[ . 1 . 2]" 1
732 1 54 LEU HA 1 55 LYS H 1.800 . 3.300 2.216 2.155 2.330 . 0 0 "[ . 1 . 2]" 1
733 1 54 LEU QB 1 55 LYS H 1.800 . 6.000 3.695 3.522 3.819 . 0 0 "[ . 1 . 2]" 1
734 1 54 LEU H 1 55 LYS H 1.800 . 6.000 4.173 3.897 4.343 . 0 0 "[ . 1 . 2]" 1
735 1 54 LEU H 1 54 LEU HG 1.800 . 4.000 2.990 2.350 3.670 . 0 0 "[ . 1 . 2]" 1
736 1 54 LEU QB 1 56 ASN H 1.800 . 6.000 4.447 4.146 4.752 . 0 0 "[ . 1 . 2]" 1
737 1 54 LEU HA 1 59 ASP H 1.800 . 5.000 4.879 4.625 5.033 0.033 12 0 "[ . 1 . 2]" 1
738 1 54 LEU HA 1 60 LEU H 1.800 . 6.000 4.614 4.316 4.822 . 0 0 "[ . 1 . 2]" 1
739 1 54 LEU HA 1 54 LEU QD 1.800 . 4.500 2.391 1.959 2.987 . 0 0 "[ . 1 . 2]" 1
740 1 54 LEU QB 1 54 LEU QD 1.800 . 4.000 1.882 1.807 1.966 . 0 0 "[ . 1 . 2]" 1
741 1 54 LEU QD 1 59 ASP QB 1.800 . 5.000 2.091 1.798 2.938 0.002 16 0 "[ . 1 . 2]" 1
742 1 54 LEU QD 1 60 LEU HA 1.800 . 5.000 2.104 1.861 2.828 . 0 0 "[ . 1 . 2]" 1
743 1 55 LYS H 1 55 LYS QG 1.800 . 4.000 3.429 2.048 4.029 0.029 7 0 "[ . 1 . 2]" 1
744 1 55 LYS HA 1 56 ASN H 1.800 . 3.500 3.523 3.503 3.549 0.049 14 0 "[ . 1 . 2]" 1
745 1 55 LYS QG 1 56 ASN H 1.800 . 5.500 3.956 2.052 4.566 . 0 0 "[ . 1 . 2]" 1
746 1 55 LYS H 1 56 ASN H 1.800 . 3.300 2.180 2.062 2.429 . 0 0 "[ . 1 . 2]" 1
747 1 55 LYS H 1 59 ASP QB 1.800 . 4.000 2.826 2.333 3.197 . 0 0 "[ . 1 . 2]" 1
748 1 55 LYS H 1 59 ASP H 1.800 . 6.000 4.664 4.274 5.051 . 0 0 "[ . 1 . 2]" 1
749 1 55 LYS QB 1 56 ASN H 1.800 . 4.000 2.860 2.372 3.537 . 0 0 "[ . 1 . 2]" 1
750 1 55 LYS QB 1 56 ASN QD 1.800 . 6.000 4.167 2.065 5.942 . 0 0 "[ . 1 . 2]" 1
751 1 55 LYS H 1 56 ASN HA 1.800 . 7.000 4.843 4.724 5.023 . 0 0 "[ . 1 . 2]" 1
752 1 55 LYS QB 1 59 ASP H 1.800 . 7.000 5.536 4.493 6.433 . 0 0 "[ . 1 . 2]" 1
753 1 55 LYS H 1 60 LEU H 1.800 . 6.000 5.396 5.063 5.709 . 0 0 "[ . 1 . 2]" 1
754 1 55 LYS HA 1 55 LYS QG 1.800 . 3.500 2.474 2.022 3.383 . 0 0 "[ . 1 . 2]" 1
755 1 55 LYS HA 1 55 LYS QD 1.800 . 5.000 3.378 2.048 4.266 . 0 0 "[ . 1 . 2]" 1
756 1 55 LYS QB 1 55 LYS QE 1.800 . 5.000 3.292 2.612 3.723 . 0 0 "[ . 1 . 2]" 1
757 1 55 LYS QB 1 56 ASN HA 1.800 . 6.000 4.347 4.116 4.778 . 0 0 "[ . 1 . 2]" 1
758 1 56 ASN HA 1 57 GLN H 1.800 . 3.300 2.559 2.367 2.732 . 0 0 "[ . 1 . 2]" 1
759 1 56 ASN QB 1 57 GLN H 1.800 . 3.500 2.318 2.011 3.128 . 0 0 "[ . 1 . 2]" 1
760 1 56 ASN H 1 58 ASP H 1.800 . 6.000 4.653 4.236 5.066 . 0 0 "[ . 1 . 2]" 1
761 1 56 ASN QD 1 57 GLN H 1.800 . 6.000 3.831 2.138 5.053 . 0 0 "[ . 1 . 2]" 1
762 1 56 ASN QD 1 58 ASP H 1.800 . 6.000 4.312 2.610 5.318 . 0 0 "[ . 1 . 2]" 1
763 1 56 ASN QD 1 59 ASP H 1.800 . 6.000 5.176 3.852 5.968 . 0 0 "[ . 1 . 2]" 1
764 1 56 ASN H 1 57 GLN H 1.800 . 5.500 4.432 4.333 4.529 . 0 0 "[ . 1 . 2]" 1
765 1 56 ASN H 1 59 ASP H 1.800 . 4.000 3.447 3.018 3.764 . 0 0 "[ . 1 . 2]" 1
766 1 56 ASN H 1 59 ASP QB 1.800 . 3.500 2.782 2.455 3.081 . 0 0 "[ . 1 . 2]" 1
767 1 56 ASN H 1 60 LEU H 1.800 . 5.000 4.610 4.248 4.908 . 0 0 "[ . 1 . 2]" 1
768 1 56 ASN H 1 59 ASP HA 1.800 . 5.500 5.367 5.072 5.519 0.019 10 0 "[ . 1 . 2]" 1
769 1 56 ASN QB 1 58 ASP H 1.800 . 4.500 2.538 2.323 2.901 . 0 0 "[ . 1 . 2]" 1
770 1 56 ASN H 1 56 ASN QD 1.800 . 6.000 4.159 3.092 5.035 . 0 0 "[ . 1 . 2]" 1
771 1 57 GLN H 1 57 GLN QB 1.800 . 3.300 2.182 2.055 2.305 . 0 0 "[ . 1 . 2]" 1
772 1 57 GLN H 1 57 GLN QG 1.800 . 4.000 3.480 2.593 4.046 0.046 15 0 "[ . 1 . 2]" 1
773 1 57 GLN QB 1 58 ASP H 1.800 . 4.000 2.821 2.709 2.945 . 0 0 "[ . 1 . 2]" 1
774 1 57 GLN H 1 58 ASP H 1.800 . 3.500 2.675 2.631 2.744 . 0 0 "[ . 1 . 2]" 1
775 1 57 GLN HA 1 58 ASP H 1.800 . 5.000 3.515 3.502 3.531 . 0 0 "[ . 1 . 2]" 1
776 1 57 GLN HA 1 59 ASP H 1.800 . 5.500 4.237 4.139 4.429 . 0 0 "[ . 1 . 2]" 1
777 1 57 GLN HA 1 60 LEU H 1.800 . 4.000 3.280 3.154 3.441 . 0 0 "[ . 1 . 2]" 1
778 1 57 GLN HA 1 61 ASP H 1.800 . 5.000 3.957 3.717 4.259 . 0 0 "[ . 1 . 2]" 1
779 1 57 GLN QE 1 60 LEU QB 1.800 . 6.000 3.552 2.460 5.587 . 0 0 "[ . 1 . 2]" 1
780 1 57 GLN QE 1 60 LEU HG 1.800 . 6.000 4.823 3.743 5.694 . 0 0 "[ . 1 . 2]" 1
781 1 57 GLN QE 1 60 LEU QD 1.800 . 4.500 2.494 1.944 3.365 . 0 0 "[ . 1 . 2]" 1
782 1 57 GLN QE 1 61 ASP H 1.800 . 5.500 4.742 3.953 5.431 . 0 0 "[ . 1 . 2]" 1
783 1 57 GLN H 1 59 ASP H 1.800 . 5.000 4.456 4.273 4.650 . 0 0 "[ . 1 . 2]" 1
784 1 57 GLN HA 1 57 GLN QG 1.800 . 4.500 2.327 2.004 2.974 . 0 0 "[ . 1 . 2]" 1
785 1 57 GLN HA 1 60 LEU QB 1.800 . 5.000 2.777 2.396 3.972 . 0 0 "[ . 1 . 2]" 1
786 1 58 ASP H 1 58 ASP QB 1.800 . 3.500 2.267 2.080 2.642 . 0 0 "[ . 1 . 2]" 1
787 1 58 ASP QB 1 59 ASP H 1.800 . 3.500 2.669 2.383 3.424 . 0 0 "[ . 1 . 2]" 1
788 1 58 ASP H 1 59 ASP H 1.800 . 3.500 2.813 2.746 2.893 . 0 0 "[ . 1 . 2]" 1
789 1 58 ASP H 1 60 LEU H 1.800 . 5.000 4.278 4.103 4.529 . 0 0 "[ . 1 . 2]" 1
790 1 58 ASP HA 1 61 ASP H 1.800 . 4.000 3.584 3.395 3.711 . 0 0 "[ . 1 . 2]" 1
791 1 58 ASP HA 1 62 LYS H 1.800 . 4.500 4.114 3.752 4.505 0.005 16 0 "[ . 1 . 2]" 1
792 1 58 ASP HA 1 59 ASP H 1.800 . 4.500 3.549 3.534 3.567 . 0 0 "[ . 1 . 2]" 1
793 1 58 ASP HA 1 61 ASP QB 1.800 . 4.000 2.726 2.297 3.042 . 0 0 "[ . 1 . 2]" 1
794 1 59 ASP HA 1 60 LEU H 1.800 . 4.000 3.547 3.524 3.584 . 0 0 "[ . 1 . 2]" 1
795 1 59 ASP QB 1 60 LEU H 1.800 . 4.000 2.569 2.383 2.730 . 0 0 "[ . 1 . 2]" 1
796 1 59 ASP H 1 60 LEU H 1.800 . 3.500 2.670 2.574 2.787 . 0 0 "[ . 1 . 2]" 1
797 1 59 ASP H 1 61 ASP H 1.800 . 5.000 4.107 3.927 4.236 . 0 0 "[ . 1 . 2]" 1
798 1 59 ASP HA 1 61 ASP H 1.800 . 4.500 4.493 4.365 4.538 0.038 7 0 "[ . 1 . 2]" 1
799 1 59 ASP HA 1 62 LYS H 1.800 . 4.000 3.639 3.519 3.821 . 0 0 "[ . 1 . 2]" 1
800 1 59 ASP HA 1 63 ALA H 1.800 . 4.500 4.384 4.183 4.531 0.031 16 0 "[ . 1 . 2]" 1
801 1 59 ASP H 1 60 LEU QB 1.800 . 5.500 4.475 4.298 5.095 . 0 0 "[ . 1 . 2]" 1
802 1 59 ASP HA 1 62 LYS QB 1.800 . 5.000 2.915 2.622 3.246 . 0 0 "[ . 1 . 2]" 1
803 1 60 LEU H 1 60 LEU QB 1.800 . 3.300 2.266 2.194 2.640 . 0 0 "[ . 1 . 2]" 1
804 1 60 LEU HA 1 61 ASP H 1.800 . 4.500 3.540 3.520 3.552 . 0 0 "[ . 1 . 2]" 1
805 1 60 LEU QB 1 61 ASP H 1.800 . 4.000 2.653 2.468 3.532 . 0 0 "[ . 1 . 2]" 1
806 1 60 LEU HG 1 61 ASP H 1.800 . 4.500 4.004 2.193 4.505 0.005 14 0 "[ . 1 . 2]" 1
807 1 60 LEU H 1 61 ASP H 1.800 . 3.300 2.632 2.543 2.699 . 0 0 "[ . 1 . 2]" 1
808 1 60 LEU HA 1 62 LYS H 1.800 . 5.000 4.436 4.368 4.560 . 0 0 "[ . 1 . 2]" 1
809 1 60 LEU HA 1 63 ALA H 1.800 . 4.000 3.465 3.263 3.646 . 0 0 "[ . 1 . 2]" 1
810 1 60 LEU HA 1 64 ILE H 1.800 . 5.000 4.453 3.964 4.763 . 0 0 "[ . 1 . 2]" 1
811 1 60 LEU QD 1 61 ASP H 1.800 . 6.000 3.565 2.537 4.116 . 0 0 "[ . 1 . 2]" 1
812 1 60 LEU H 1 60 LEU HG 1.800 . 5.000 4.141 2.013 4.528 . 0 0 "[ . 1 . 2]" 1
813 1 60 LEU H 1 60 LEU QD 1.800 . 6.000 3.580 2.893 3.723 . 0 0 "[ . 1 . 2]" 1
814 1 60 LEU HA 1 60 LEU QD 1.800 . 5.000 2.648 1.972 3.391 . 0 0 "[ . 1 . 2]" 1
815 1 60 LEU HA 1 60 LEU HG 1.800 . 4.500 2.769 2.392 3.701 . 0 0 "[ . 1 . 2]" 1
816 1 60 LEU HA 1 63 ALA MB 1.800 . 4.500 2.644 2.211 2.897 . 0 0 "[ . 1 . 2]" 1
817 1 61 ASP H 1 61 ASP QB 1.800 . 3.300 2.176 2.092 2.412 . 0 0 "[ . 1 . 2]" 1
818 1 61 ASP QB 1 62 LYS H 1.800 . 3.500 2.620 2.508 2.760 . 0 0 "[ . 1 . 2]" 1
819 1 61 ASP H 1 62 LYS H 1.800 . 3.300 2.685 2.608 2.731 . 0 0 "[ . 1 . 2]" 1
820 1 61 ASP H 1 63 ALA H 1.800 . 5.000 4.093 3.978 4.217 . 0 0 "[ . 1 . 2]" 1
821 1 61 ASP HA 1 64 ILE H 1.800 . 4.000 3.542 3.357 3.677 . 0 0 "[ . 1 . 2]" 1
822 1 61 ASP HA 1 65 ASP H 1.800 . 5.000 4.462 3.976 4.836 . 0 0 "[ . 1 . 2]" 1
823 1 61 ASP HA 1 62 LYS H 1.800 . 4.000 3.543 3.524 3.554 . 0 0 "[ . 1 . 2]" 1
824 1 61 ASP HA 1 64 ILE HB 1.800 . 4.000 3.340 3.030 3.634 . 0 0 "[ . 1 . 2]" 1
825 1 62 LYS H 1 62 LYS QB 1.800 . 3.500 2.154 2.049 2.379 . 0 0 "[ . 1 . 2]" 1
826 1 62 LYS H 1 62 LYS QG 1.800 . 4.000 3.407 2.433 3.962 . 0 0 "[ . 1 . 2]" 1
827 1 62 LYS H 1 63 ALA H 1.800 . 3.000 2.630 2.547 2.676 . 0 0 "[ . 1 . 2]" 1
828 1 62 LYS HA 1 63 ALA H 1.800 . 4.500 3.529 3.508 3.550 . 0 0 "[ . 1 . 2]" 1
829 1 62 LYS QB 1 63 ALA H 1.800 . 4.000 2.727 2.476 2.863 . 0 0 "[ . 1 . 2]" 1
830 1 62 LYS HA 1 64 ILE H 1.800 . 5.500 4.369 4.164 4.624 . 0 0 "[ . 1 . 2]" 1
831 1 62 LYS H 1 64 ILE H 1.800 . 5.000 4.240 4.153 4.325 . 0 0 "[ . 1 . 2]" 1
832 1 62 LYS HA 1 65 ASP H 1.800 . 4.000 3.512 3.407 3.659 . 0 0 "[ . 1 . 2]" 1
833 1 62 LYS HA 1 66 ILE H 1.800 . 5.000 4.484 4.088 4.825 . 0 0 "[ . 1 . 2]" 1
834 1 62 LYS H 1 63 ALA MB 1.800 . 5.500 4.266 4.154 4.357 . 0 0 "[ . 1 . 2]" 1
835 1 62 LYS H 1 65 ASP H 1.800 . 6.000 4.962 4.754 5.141 . 0 0 "[ . 1 . 2]" 1
836 1 62 LYS HA 1 62 LYS QG 1.800 . 5.000 2.220 2.012 2.463 . 0 0 "[ . 1 . 2]" 1
837 1 62 LYS HA 1 65 ASP QB 1.800 . 4.000 2.786 2.501 3.021 . 0 0 "[ . 1 . 2]" 1
838 1 62 LYS QE 1 62 LYS QG 1.800 . 4.500 2.105 1.944 2.398 . 0 0 "[ . 1 . 2]" 1
839 1 63 ALA H 1 63 ALA MB 1.800 . 3.000 2.154 2.089 2.242 . 0 0 "[ . 1 . 2]" 1
840 1 63 ALA MB 1 64 ILE H 1.800 . 3.500 2.643 2.475 2.790 . 0 0 "[ . 1 . 2]" 1
841 1 63 ALA HA 1 64 ILE H 1.800 . 4.000 3.547 3.526 3.573 . 0 0 "[ . 1 . 2]" 1
842 1 63 ALA H 1 64 ILE H 1.800 . 3.300 2.695 2.627 2.777 . 0 0 "[ . 1 . 2]" 1
843 1 63 ALA HA 1 65 ASP H 1.800 . 5.000 4.510 4.390 4.631 . 0 0 "[ . 1 . 2]" 1
844 1 63 ALA HA 1 66 ILE H 1.800 . 4.000 3.638 3.537 3.751 . 0 0 "[ . 1 . 2]" 1
845 1 63 ALA HA 1 67 LEU H 1.800 . 5.000 4.370 3.950 4.760 . 0 0 "[ . 1 . 2]" 1
846 1 63 ALA H 1 65 ASP H 1.800 . 5.000 4.241 4.121 4.343 . 0 0 "[ . 1 . 2]" 1
847 1 63 ALA HA 1 66 ILE HB 1.800 . 4.500 3.337 3.111 3.567 . 0 0 "[ . 1 . 2]" 1
848 1 63 ALA HA 1 66 ILE MD 1.800 . 4.500 2.311 1.894 4.331 . 0 0 "[ . 1 . 2]" 1
849 1 64 ILE H 1 64 ILE HB 1.800 . 3.000 2.640 2.608 2.695 . 0 0 "[ . 1 . 2]" 1
850 1 64 ILE H 1 64 ILE QG 1.800 . 3.500 2.020 1.978 2.061 . 0 0 "[ . 1 . 2]" 1
851 1 64 ILE HA 1 65 ASP H 1.800 . 4.000 3.551 3.542 3.559 . 0 0 "[ . 1 . 2]" 1
852 1 64 ILE HB 1 65 ASP H 1.800 . 3.500 2.573 2.453 2.654 . 0 0 "[ . 1 . 2]" 1
853 1 64 ILE H 1 65 ASP H 1.800 . 3.300 2.672 2.625 2.741 . 0 0 "[ . 1 . 2]" 1
854 1 64 ILE HA 1 66 ILE H 1.800 . 5.000 4.366 4.193 4.521 . 0 0 "[ . 1 . 2]" 1
855 1 64 ILE HA 1 67 LEU H 1.800 . 4.500 3.384 3.227 3.551 . 0 0 "[ . 1 . 2]" 1
856 1 64 ILE HA 1 68 ASP H 1.800 . 5.000 3.963 3.530 4.360 . 0 0 "[ . 1 . 2]" 1
857 1 64 ILE MG 1 65 ASP H 1.800 . 5.000 3.568 3.495 3.632 . 0 0 "[ . 1 . 2]" 1
858 1 64 ILE H 1 65 ASP QB 1.800 . 5.500 4.403 4.273 4.574 . 0 0 "[ . 1 . 2]" 1
859 1 64 ILE H 1 66 ILE H 1.800 . 6.000 4.242 4.138 4.343 . 0 0 "[ . 1 . 2]" 1
860 1 64 ILE H 1 64 ILE MG 1.800 . 5.000 3.784 3.780 3.792 . 0 0 "[ . 1 . 2]" 1
861 1 64 ILE H 1 64 ILE MD 1.800 . 4.500 3.073 2.765 3.397 . 0 0 "[ . 1 . 2]" 1
862 1 64 ILE H 1 67 LEU H 1.800 . 6.000 4.816 4.681 4.957 . 0 0 "[ . 1 . 2]" 1
863 1 64 ILE MG 1 68 ASP H 1.800 . 6.000 3.631 3.313 3.927 . 0 0 "[ . 1 . 2]" 1
864 1 64 ILE QG 1 65 ASP H 1.800 . 5.000 3.946 3.789 4.031 . 0 0 "[ . 1 . 2]" 1
865 1 64 ILE HA 1 64 ILE QG 1.800 . 4.000 2.693 2.493 3.088 . 0 0 "[ . 1 . 2]" 1
866 1 64 ILE HA 1 64 ILE MG 1.800 . 4.000 2.319 2.199 2.383 . 0 0 "[ . 1 . 2]" 1
867 1 64 ILE HA 1 67 LEU QB 1.800 . 4.500 2.707 2.425 3.197 . 0 0 "[ . 1 . 2]" 1
868 1 64 ILE HA 1 76 LEU QD 1.800 . 6.000 3.540 2.890 4.383 . 0 0 "[ . 1 . 2]" 1
869 1 64 ILE MG 1 68 ASP QB 1.800 . 6.000 3.393 2.737 4.291 . 0 0 "[ . 1 . 2]" 1
870 1 65 ASP H 1 65 ASP QB 1.800 . 3.000 2.183 2.051 2.386 . 0 0 "[ . 1 . 2]" 1
871 1 65 ASP QB 1 66 ILE H 1.800 . 3.500 2.601 2.482 2.725 . 0 0 "[ . 1 . 2]" 1
872 1 65 ASP HA 1 66 ILE H 1.800 . 4.000 3.549 3.528 3.562 . 0 0 "[ . 1 . 2]" 1
873 1 65 ASP H 1 66 ILE H 1.800 . 3.300 2.801 2.766 2.841 . 0 0 "[ . 1 . 2]" 1
874 1 65 ASP H 1 67 LEU H 1.800 . 5.000 4.239 4.104 4.349 . 0 0 "[ . 1 . 2]" 1
875 1 65 ASP HA 1 67 LEU H 1.800 . 5.500 4.548 4.328 4.716 . 0 0 "[ . 1 . 2]" 1
876 1 65 ASP HA 1 68 ASP H 1.800 . 4.000 3.674 3.558 3.861 . 0 0 "[ . 1 . 2]" 1
877 1 65 ASP QB 1 67 LEU H 1.800 . 6.000 4.723 4.592 4.827 . 0 0 "[ . 1 . 2]" 1
878 1 65 ASP H 1 66 ILE MD 1.800 . 6.000 4.847 4.466 5.419 . 0 0 "[ . 1 . 2]" 1
879 1 65 ASP HA 1 69 ARG H 1.800 . 5.000 4.332 4.104 4.639 . 0 0 "[ . 1 . 2]" 1
880 1 65 ASP H 1 68 ASP H 1.800 . 5.500 4.794 4.623 4.973 . 0 0 "[ . 1 . 2]" 1
881 1 65 ASP H 1 66 ILE QG 1.800 . 5.500 4.240 4.132 4.395 . 0 0 "[ . 1 . 2]" 1
882 1 65 ASP HA 1 68 ASP QB 1.800 . 4.500 2.906 2.664 3.181 . 0 0 "[ . 1 . 2]" 1
883 1 66 ILE H 1 66 ILE HB 1.800 . 3.300 2.632 2.602 2.654 . 0 0 "[ . 1 . 2]" 1
884 1 66 ILE HA 1 67 LEU H 1.800 . 4.500 3.549 3.534 3.558 . 0 0 "[ . 1 . 2]" 1
885 1 66 ILE HB 1 67 LEU H 1.800 . 4.000 2.606 2.510 2.744 . 0 0 "[ . 1 . 2]" 1
886 1 66 ILE H 1 67 LEU H 1.800 . 3.300 2.636 2.587 2.708 . 0 0 "[ . 1 . 2]" 1
887 1 66 ILE H 1 68 ASP H 1.800 . 5.500 4.188 4.076 4.317 . 0 0 "[ . 1 . 2]" 1
888 1 66 ILE HA 1 68 ASP H 1.800 . 5.500 4.523 4.376 4.663 . 0 0 "[ . 1 . 2]" 1
889 1 66 ILE HA 1 69 ARG H 1.800 . 4.000 3.565 3.397 3.744 . 0 0 "[ . 1 . 2]" 1
890 1 66 ILE HA 1 70 SER H 1.800 . 5.000 4.488 4.242 4.838 . 0 0 "[ . 1 . 2]" 1
891 1 66 ILE H 1 66 ILE QG 1.800 . 3.500 2.007 1.942 2.082 . 0 0 "[ . 1 . 2]" 1
892 1 66 ILE H 1 66 ILE MD 1.800 . 4.000 3.173 2.834 3.588 . 0 0 "[ . 1 . 2]" 1
893 1 66 ILE QG 1 67 LEU H 1.800 . 5.000 3.963 3.846 4.018 . 0 0 "[ . 1 . 2]" 1
894 1 66 ILE MG 1 67 LEU H 1.800 . 5.000 3.586 3.477 3.700 . 0 0 "[ . 1 . 2]" 1
895 1 66 ILE HB 1 66 ILE MD 1.800 . 3.500 2.295 2.124 3.238 . 0 0 "[ . 1 . 2]" 1
896 1 66 ILE HA 1 66 ILE MD 1.800 . 6.000 3.832 2.100 3.937 . 0 0 "[ . 1 . 2]" 1
897 1 66 ILE HA 1 66 ILE QG 1.800 . 4.000 2.554 2.492 3.047 . 0 0 "[ . 1 . 2]" 1
898 1 66 ILE HA 1 69 ARG QB 1.800 . 4.000 2.919 2.453 3.877 . 0 0 "[ . 1 . 2]" 1
899 1 67 LEU H 1 67 LEU QB 1.800 . 3.300 2.222 2.121 2.599 . 0 0 "[ . 1 . 2]" 1
900 1 67 LEU H 1 67 LEU QD 1.800 . 5.000 3.511 2.948 3.708 . 0 0 "[ . 1 . 2]" 1
901 1 67 LEU H 1 67 LEU MD1 1.800 . 4.500 3.773 3.069 4.103 . 0 0 "[ . 1 . 2]" 1
902 1 67 LEU H 1 67 LEU MD2 1.800 . 5.500 4.213 3.286 4.378 . 0 0 "[ . 1 . 2]" 1
903 1 67 LEU HA 1 68 ASP H 1.800 . 4.000 3.555 3.534 3.566 . 0 0 "[ . 1 . 2]" 1
904 1 67 LEU QB 1 68 ASP H 1.800 . 4.000 2.518 2.413 2.636 . 0 0 "[ . 1 . 2]" 1
905 1 67 LEU H 1 68 ASP H 1.800 . 3.500 2.702 2.603 2.762 . 0 0 "[ . 1 . 2]" 1
906 1 67 LEU H 1 69 ARG H 1.800 . 5.000 4.140 4.048 4.249 . 0 0 "[ . 1 . 2]" 1
907 1 67 LEU QD 1 68 ASP H 1.800 . 6.000 3.930 3.676 4.076 . 0 0 "[ . 1 . 2]" 1
908 1 67 LEU MD1 1 68 ASP H 1.800 . 5.000 4.714 4.090 4.892 . 0 0 "[ . 1 . 2]" 1
909 1 67 LEU MD2 1 68 ASP H 1.800 . 6.000 4.252 3.821 4.890 . 0 0 "[ . 1 . 2]" 1
910 1 67 LEU QD 1 70 SER H 1.800 . 6.000 4.836 4.301 5.216 . 0 0 "[ . 1 . 2]" 1
911 1 67 LEU QD 1 76 LEU H 1.800 . 5.500 3.951 3.166 4.510 . 0 0 "[ . 1 . 2]" 1
912 1 67 LEU MD2 1 76 LEU H 1.800 . 5.000 4.319 3.317 4.936 . 0 0 "[ . 1 . 2]" 1
913 1 67 LEU MD1 1 76 LEU H 1.800 . 6.000 4.723 3.817 5.818 . 0 0 "[ . 1 . 2]" 1
914 1 67 LEU HA 1 70 SER H 1.800 . 5.000 3.433 3.251 3.652 . 0 0 "[ . 1 . 2]" 1
915 1 67 LEU MD2 1 75 SER H 1.800 . 5.500 4.214 3.268 5.136 . 0 0 "[ . 1 . 2]" 1
916 1 67 LEU HA 1 69 ARG H 1.800 . 4.500 4.336 4.194 4.476 . 0 0 "[ . 1 . 2]" 1
917 1 67 LEU HG 1 68 ASP H 1.800 . 4.500 4.251 3.937 4.500 . 0 0 "[ . 1 . 2]" 1
918 1 67 LEU HA 1 67 LEU MD2 1.800 . 4.000 3.690 2.205 3.908 . 0 0 "[ . 1 . 2]" 1
919 1 67 LEU HA 1 67 LEU MD1 1.800 . 5.000 2.510 2.076 3.960 . 0 0 "[ . 1 . 2]" 1
920 1 67 LEU QB 1 67 LEU QD 1.800 . 4.000 1.870 1.823 1.915 . 0 0 "[ . 1 . 2]" 1
921 1 67 LEU MD2 1 73 MET QB 1.800 . 5.000 3.748 1.971 4.716 . 0 0 "[ . 1 . 2]" 1
922 1 67 LEU MD1 1 73 MET QB 1.800 . 6.000 2.979 1.798 5.016 0.002 18 0 "[ . 1 . 2]" 1
923 1 67 LEU MD2 1 73 MET QG 1.800 . 5.000 4.098 1.980 5.018 0.018 18 0 "[ . 1 . 2]" 1
924 1 67 LEU MD2 1 74 LYS HA 1.800 . 5.500 4.200 3.172 5.396 . 0 0 "[ . 1 . 2]" 1
925 1 67 LEU QB 1 76 LEU QD 1.800 . 5.500 3.121 2.061 3.812 . 0 0 "[ . 1 . 2]" 1
926 1 67 LEU HA 1 73 MET QB 1.800 . 5.000 3.541 2.515 4.797 . 0 0 "[ . 1 . 2]" 1
927 1 67 LEU QD 1 75 SER HA 1.800 . 6.000 3.585 2.500 4.344 . 0 0 "[ . 1 . 2]" 1
928 1 67 LEU HA 1 70 SER QB 1.800 . 5.000 3.037 2.537 3.709 . 0 0 "[ . 1 . 2]" 1
929 1 67 LEU MD1 1 68 ASP HA 1.800 . 6.000 5.551 4.996 5.833 . 0 0 "[ . 1 . 2]" 1
930 1 68 ASP H 1 68 ASP QB 1.800 . 3.300 2.239 2.067 2.600 . 0 0 "[ . 1 . 2]" 1
931 1 68 ASP HA 1 69 ARG H 1.800 . 4.000 3.532 3.508 3.556 . 0 0 "[ . 1 . 2]" 1
932 1 68 ASP QB 1 69 ARG H 1.800 . 4.000 2.693 2.572 2.852 . 0 0 "[ . 1 . 2]" 1
933 1 68 ASP H 1 69 ARG H 1.800 . 3.500 2.695 2.578 2.771 . 0 0 "[ . 1 . 2]" 1
934 1 68 ASP H 1 70 SER H 1.800 . 4.500 4.104 4.007 4.224 . 0 0 "[ . 1 . 2]" 1
935 1 68 ASP QB 1 70 SER H 1.800 . 6.000 4.655 4.522 4.753 . 0 0 "[ . 1 . 2]" 1
936 1 69 ARG H 1 69 ARG QB 1.800 . 3.300 2.194 2.052 2.569 . 0 0 "[ . 1 . 2]" 1
937 1 69 ARG HA 1 70 SER H 1.800 . 3.500 3.510 3.479 3.525 0.025 18 0 "[ . 1 . 2]" 1
938 1 69 ARG QB 1 70 SER H 1.800 . 4.000 2.893 2.715 3.613 . 0 0 "[ . 1 . 2]" 1
939 1 69 ARG H 1 70 SER H 1.800 . 3.300 2.587 2.474 2.713 . 0 0 "[ . 1 . 2]" 1
940 1 69 ARG H 1 69 ARG QG 1.800 . 4.500 3.417 2.035 4.022 . 0 0 "[ . 1 . 2]" 1
941 1 69 ARG H 1 69 ARG QD 1.800 . 5.500 4.145 2.400 4.704 . 0 0 "[ . 1 . 2]" 1
942 1 69 ARG QD 1 70 SER H 1.800 . 6.000 4.739 3.780 5.447 . 0 0 "[ . 1 . 2]" 1
943 1 69 ARG H 1 70 SER QB 1.800 . 5.500 4.478 4.291 4.808 . 0 0 "[ . 1 . 2]" 1
944 1 69 ARG H 1 70 SER HB3 1.800 . 5.000 4.930 4.533 5.039 0.039 17 0 "[ . 1 . 2]" 1
945 1 69 ARG QB 1 69 ARG QD 1.800 . 4.000 2.188 1.965 2.826 . 0 0 "[ . 1 . 2]" 1
946 1 69 ARG QB 1 69 ARG HE 1.800 . 5.500 3.387 2.099 4.172 . 0 0 "[ . 1 . 2]" 1
947 1 70 SER H 1 70 SER QB 1.800 . 3.300 2.347 2.183 2.638 . 0 0 "[ . 1 . 2]" 1
948 1 70 SER HA 1 71 SER H 1.800 . 3.000 2.215 2.131 2.425 . 0 0 "[ . 1 . 2]" 1
949 1 70 SER QB 1 73 MET H 1.800 . 5.500 3.421 2.740 4.701 . 0 0 "[ . 1 . 2]" 1
950 1 70 SER QB 1 72 SER H 1.800 . 5.500 3.823 3.179 4.361 . 0 0 "[ . 1 . 2]" 1
951 1 70 SER H 1 71 SER H 1.800 . 5.000 4.437 4.069 4.638 . 0 0 "[ . 1 . 2]" 1
952 1 70 SER HA 1 72 SER H 1.800 . 4.500 3.854 3.482 4.508 0.008 12 0 "[ . 1 . 2]" 1
953 1 70 SER QB 1 73 MET QB 1.800 . 5.000 2.649 1.847 3.782 . 0 0 "[ . 1 . 2]" 1
954 1 70 SER QB 1 73 MET QG 1.800 . 6.000 4.127 3.094 5.127 . 0 0 "[ . 1 . 2]" 1
955 1 71 SER H 1 71 SER QB 1.800 . 3.500 2.468 2.209 2.880 . 0 0 "[ . 1 . 2]" 1
956 1 71 SER HA 1 72 SER H 1.800 . 4.000 3.519 3.458 3.557 . 0 0 "[ . 1 . 2]" 1
957 1 71 SER H 1 72 SER H 1.800 . 3.500 2.545 2.453 2.717 . 0 0 "[ . 1 . 2]" 1
958 1 71 SER QB 1 72 SER H 1.800 . 4.000 3.040 2.592 3.539 . 0 0 "[ . 1 . 2]" 1
959 1 72 SER HA 1 73 MET H 1.800 . 4.000 3.308 2.295 3.583 . 0 0 "[ . 1 . 2]" 1
960 1 72 SER QB 1 73 MET H 1.800 . 5.000 3.367 2.489 4.076 . 0 0 "[ . 1 . 2]" 1
961 1 72 SER H 1 73 MET H 1.800 . 3.500 2.819 1.960 3.530 0.030 19 0 "[ . 1 . 2]" 1
962 1 72 SER HG 1 73 MET H 1.800 . 4.000 3.371 2.359 4.039 0.039 19 0 "[ . 1 . 2]" 1
963 1 72 SER H 1 73 MET QB 1.800 . 6.000 4.324 3.342 4.803 . 0 0 "[ . 1 . 2]" 1
964 1 72 SER H 1 72 SER HG 1.800 . 4.000 2.849 2.101 4.069 0.069 19 0 "[ . 1 . 2]" 1
965 1 73 MET H 1 73 MET QG 1.800 . 4.500 3.593 2.089 4.393 . 0 0 "[ . 1 . 2]" 1
966 1 73 MET QG 1 75 SER H 1.800 . 5.500 4.356 3.060 5.375 . 0 0 "[ . 1 . 2]" 1
967 1 73 MET QB 1 75 SER H 1.800 . 6.000 4.734 3.658 6.000 . 0 0 "[ . 1 . 2]" 1
968 1 73 MET HA 1 74 LYS H 1.800 . 3.000 2.262 2.140 2.641 . 0 0 "[ . 1 . 2]" 1
969 1 73 MET QG 1 74 LYS H 1.800 . 5.000 3.387 2.066 4.552 . 0 0 "[ . 1 . 2]" 1
970 1 73 MET HA 1 73 MET QG 1.800 . 4.000 2.474 2.075 3.369 . 0 0 "[ . 1 . 2]" 1
971 1 73 MET HA 1 74 LYS QG 1.800 . 5.000 4.216 3.633 5.009 0.009 16 0 "[ . 1 . 2]" 1
972 1 74 LYS HA 1 75 SER H 1.800 . 4.000 3.198 2.153 3.581 . 0 0 "[ . 1 . 2]" 1
973 1 74 LYS QB 1 75 SER H 1.800 . 4.500 2.932 2.075 3.884 . 0 0 "[ . 1 . 2]" 1
974 1 74 LYS QD 1 75 SER H 1.800 . 5.500 4.651 3.504 5.513 0.013 3 0 "[ . 1 . 2]" 1
975 1 74 LYS H 1 75 SER H 1.800 . 4.000 2.638 2.070 4.027 0.027 15 0 "[ . 1 . 2]" 1
976 1 74 LYS HA 1 74 LYS QG 1.800 . 4.000 2.593 2.090 3.442 . 0 0 "[ . 1 . 2]" 1
977 1 74 LYS QB 1 74 LYS QD 1.800 . 4.500 2.140 1.927 2.444 . 0 0 "[ . 1 . 2]" 1
978 1 74 LYS HA 1 74 LYS QD 1.800 . 5.500 3.255 2.163 4.115 . 0 0 "[ . 1 . 2]" 1
979 1 74 LYS QE 1 74 LYS QG 1.800 . 5.000 2.195 1.957 2.847 . 0 0 "[ . 1 . 2]" 1
980 1 75 SER HA 1 76 LEU H 1.800 . 3.500 2.515 2.239 2.741 . 0 0 "[ . 1 . 2]" 1
981 1 75 SER QB 1 76 LEU H 1.800 . 4.000 2.528 2.088 3.371 . 0 0 "[ . 1 . 2]" 1
982 1 75 SER H 1 76 LEU H 1.800 . 5.000 4.540 4.274 4.641 . 0 0 "[ . 1 . 2]" 1
983 1 76 LEU H 1 76 LEU QB 1.800 . 3.500 2.448 2.199 3.130 . 0 0 "[ . 1 . 2]" 1
984 1 76 LEU HA 1 77 ARG H 1.800 . 3.000 2.161 2.133 2.196 . 0 0 "[ . 1 . 2]" 1
985 1 76 LEU QB 1 77 ARG H 1.800 . 4.500 3.292 2.973 3.638 . 0 0 "[ . 1 . 2]" 1
986 1 76 LEU QD 1 77 ARG H 1.800 . 6.000 3.603 2.234 4.371 . 0 0 "[ . 1 . 2]" 1
987 1 76 LEU H 1 77 ARG H 1.800 . 4.500 4.392 4.198 4.503 0.003 18 0 "[ . 1 . 2]" 1
988 1 76 LEU HA 1 76 LEU QD 1.800 . 4.500 2.607 1.916 3.290 . 0 0 "[ . 1 . 2]" 1
989 1 76 LEU HG 1 78 ILE QG 1.800 . 5.000 4.595 3.135 4.995 . 0 0 "[ . 1 . 2]" 1
990 1 77 ARG H 1 77 ARG QB 1.800 . 3.500 2.341 2.159 2.609 . 0 0 "[ . 1 . 2]" 1
991 1 77 ARG H 1 77 ARG QD 1.800 . 6.000 4.028 2.031 4.672 . 0 0 "[ . 1 . 2]" 1
992 1 77 ARG HA 1 78 ILE H 1.800 . 3.000 2.159 2.142 2.170 . 0 0 "[ . 1 . 2]" 1
993 1 77 ARG QB 1 78 ILE H 1.800 . 5.000 3.636 3.372 3.941 . 0 0 "[ . 1 . 2]" 1
994 1 77 ARG H 1 78 ILE H 1.800 . 4.500 4.309 4.243 4.424 . 0 0 "[ . 1 . 2]" 1
995 1 77 ARG H 1 77 ARG QG 1.800 . 4.000 3.231 2.356 4.023 0.023 13 0 "[ . 1 . 2]" 1
996 1 77 ARG HA 1 77 ARG QD 1.800 . 6.000 3.628 2.598 4.103 . 0 0 "[ . 1 . 2]" 1
997 1 77 ARG QB 1 77 ARG QD 1.800 . 4.000 2.111 2.004 2.323 . 0 0 "[ . 1 . 2]" 1
998 1 78 ILE H 1 78 ILE HB 1.800 . 3.500 2.800 2.755 2.834 . 0 0 "[ . 1 . 2]" 1
999 1 78 ILE H 1 78 ILE MD 1.800 . 6.000 3.680 2.501 4.109 . 0 0 "[ . 1 . 2]" 1
1000 1 78 ILE H 1 79 LEU H 1.800 . 5.500 4.344 4.314 4.372 . 0 0 "[ . 1 . 2]" 1
1001 1 78 ILE HA 1 79 LEU H 1.800 . 3.000 2.171 2.161 2.184 . 0 0 "[ . 1 . 2]" 1
1002 1 78 ILE MG 1 79 LEU H 1.800 . 4.500 2.464 2.282 2.584 . 0 0 "[ . 1 . 2]" 1
1003 1 78 ILE MG 1 80 LEU H 1.800 . 5.500 4.400 4.206 4.644 . 0 0 "[ . 1 . 2]" 1
1004 1 78 ILE H 1 78 ILE MG 1.800 . 5.500 3.925 3.907 3.938 . 0 0 "[ . 1 . 2]" 1
1005 1 78 ILE H 1 78 ILE QG 1.800 . 4.000 2.753 2.589 3.107 . 0 0 "[ . 1 . 2]" 1
1006 1 78 ILE HA 1 78 ILE MG 1.800 . 4.000 2.291 2.172 2.391 . 0 0 "[ . 1 . 2]" 1
1007 1 78 ILE MG 1 80 LEU HA 1.800 . 5.500 4.073 3.929 4.245 . 0 0 "[ . 1 . 2]" 1
1008 1 79 LEU H 1 79 LEU QB 1.800 . 3.500 2.329 2.214 2.640 . 0 0 "[ . 1 . 2]" 1
1009 1 79 LEU H 1 79 LEU QD 1.800 . 5.000 3.206 2.108 3.813 . 0 0 "[ . 1 . 2]" 1
1010 1 79 LEU H 1 79 LEU MD1 1.800 . 4.500 3.656 2.114 4.305 . 0 0 "[ . 1 . 2]" 1
1011 1 79 LEU H 1 79 LEU MD2 1.800 . 6.000 3.989 2.627 4.462 . 0 0 "[ . 1 . 2]" 1
1012 1 79 LEU HA 1 80 LEU H 1.800 . 3.000 2.156 2.142 2.182 . 0 0 "[ . 1 . 2]" 1
1013 1 79 LEU QB 1 80 LEU H 1.800 . 4.500 3.480 3.086 3.851 . 0 0 "[ . 1 . 2]" 1
1014 1 79 LEU H 1 80 LEU H 1.800 . 5.000 4.429 4.363 4.483 . 0 0 "[ . 1 . 2]" 1
1015 1 79 LEU HA 1 79 LEU QD 1.800 . 5.000 2.310 1.854 3.142 . 0 0 "[ . 1 . 2]" 1
1016 1 79 LEU HA 1 79 LEU HG 1.800 . 4.000 2.832 2.335 3.686 . 0 0 "[ . 1 . 2]" 1
1017 1 80 LEU H 1 80 LEU HG 1.800 . 4.000 2.334 1.913 2.637 . 0 0 "[ . 1 . 2]" 1
1018 1 80 LEU HA 1 81 LEU H 1.800 . 3.000 2.164 2.139 2.187 . 0 0 "[ . 1 . 2]" 1
1019 1 80 LEU QB 1 81 LEU H 1.800 . 4.000 3.128 2.977 3.328 . 0 0 "[ . 1 . 2]" 1
1020 1 80 LEU HG 1 81 LEU H 1.800 . 5.000 4.956 4.666 5.021 0.021 13 0 "[ . 1 . 2]" 1
1021 1 80 LEU H 1 81 LEU H 1.800 . 5.000 4.477 4.369 4.533 . 0 0 "[ . 1 . 2]" 1
1022 1 80 LEU H 1 80 LEU QB 1.800 . 4.000 2.636 2.413 3.073 . 0 0 "[ . 1 . 2]" 1
1023 1 80 LEU H 1 80 LEU MD1 1.800 . 5.000 3.266 2.973 3.858 . 0 0 "[ . 1 . 2]" 1
1024 1 80 LEU HA 1 80 LEU HG 1.800 . 4.000 3.040 2.826 3.679 . 0 0 "[ . 1 . 2]" 1
1025 1 80 LEU HA 1 80 LEU MD2 1.800 . 4.000 2.780 2.333 3.985 . 0 0 "[ . 1 . 2]" 1
1026 1 81 LEU H 1 81 LEU QB 1.800 . 4.000 2.899 2.604 3.315 . 0 0 "[ . 1 . 2]" 1
1027 1 81 LEU H 1 81 LEU MD2 1.800 . 5.500 3.940 2.649 4.693 . 0 0 "[ . 1 . 2]" 1
1028 1 81 LEU H 1 81 LEU HG 1.800 . 4.000 3.143 2.254 3.965 . 0 0 "[ . 1 . 2]" 1
1029 1 81 LEU HA 1 82 SER H 1.800 . 3.000 2.218 2.174 2.356 . 0 0 "[ . 1 . 2]" 1
1030 1 81 LEU QB 1 82 SER H 1.800 . 4.000 2.903 2.541 3.063 . 0 0 "[ . 1 . 2]" 1
1031 1 81 LEU MD1 1 82 SER H 1.800 . 5.000 4.644 3.416 5.017 0.017 1 0 "[ . 1 . 2]" 1
1032 1 81 LEU HG 1 82 SER H 1.800 . 5.000 4.562 4.183 4.996 . 0 0 "[ . 1 . 2]" 1
1033 1 81 LEU HA 1 81 LEU QD 1.800 . 4.500 3.041 2.161 3.433 . 0 0 "[ . 1 . 2]" 1
1034 1 81 LEU HA 1 81 LEU MD1 1.800 . 4.000 3.708 3.281 4.030 0.030 3 0 "[ . 1 . 2]" 1
1035 1 81 LEU HA 1 81 LEU MD2 1.800 . 5.000 3.355 2.172 4.045 . 0 0 "[ . 1 . 2]" 1
1036 1 81 LEU HA 1 81 LEU HG 1.800 . 4.000 2.986 2.333 3.671 . 0 0 "[ . 1 . 2]" 1
1037 1 81 LEU QB 1 81 LEU MD2 1.800 . 4.000 2.034 1.935 2.206 . 0 0 "[ . 1 . 2]" 1
1038 1 81 LEU QB 1 83 GLN QE 1.800 . 6.000 5.333 4.651 6.027 0.027 10 0 "[ . 1 . 2]" 1
1039 1 82 SER HA 1 83 GLN H 1.800 . 3.000 2.199 2.144 2.387 . 0 0 "[ . 1 . 2]" 1
1040 1 82 SER QB 1 83 GLN H 1.800 . 4.500 3.424 2.509 3.972 . 0 0 "[ . 1 . 2]" 1
1041 1 82 SER QB 1 84 ASP H 1.800 . 6.000 3.660 2.435 5.238 . 0 0 "[ . 1 . 2]" 1
1042 1 82 SER HA 1 84 ASP H 1.800 . 4.500 4.033 3.503 4.521 0.021 11 0 "[ . 1 . 2]" 1
1043 1 83 GLN H 1 83 GLN QG 1.800 . 4.500 3.801 2.294 4.300 . 0 0 "[ . 1 . 2]" 1
1044 1 83 GLN HA 1 84 ASP H 1.800 . 3.000 2.730 2.369 2.936 . 0 0 "[ . 1 . 2]" 1
1045 1 83 GLN QG 1 84 ASP H 1.800 . 5.000 4.386 3.757 4.843 . 0 0 "[ . 1 . 2]" 1
1046 1 83 GLN H 1 84 ASP H 1.800 . 4.000 2.856 2.398 3.579 . 0 0 "[ . 1 . 2]" 1
1047 1 83 GLN QE 1 84 ASP HA 1.800 . 6.000 5.496 4.095 6.017 0.017 15 0 "[ . 1 . 2]" 1
1048 1 83 GLN QB 1 84 ASP H 1.800 . 5.000 3.917 3.790 4.051 . 0 0 "[ . 1 . 2]" 1
1049 1 83 GLN QG 1 85 ARG H 1.800 . 7.000 5.412 2.968 7.012 0.012 2 0 "[ . 1 . 2]" 1
1050 1 83 GLN HA 1 83 GLN QG 1.800 . 4.000 2.534 2.139 3.404 . 0 0 "[ . 1 . 2]" 1
1051 1 84 ASP H 1 84 ASP QB 1.800 . 3.500 2.655 2.216 3.280 . 0 0 "[ . 1 . 2]" 1
1052 1 84 ASP HA 1 85 ARG H 1.800 . 3.000 2.338 2.122 2.888 . 0 0 "[ . 1 . 2]" 1
1053 1 84 ASP QB 1 85 ARG H 1.800 . 5.000 3.731 2.131 4.033 . 0 0 "[ . 1 . 2]" 1
1054 1 84 ASP H 1 85 ARG H 1.800 . 4.500 3.773 2.779 4.538 0.038 11 0 "[ . 1 . 2]" 1
1055 1 85 ARG H 1 85 ARG QG 1.800 . 4.000 3.257 2.002 4.027 0.027 16 0 "[ . 1 . 2]" 1
1056 1 85 ARG QB 1 86 ASN H 1.800 . 5.000 3.376 2.044 4.018 . 0 0 "[ . 1 . 2]" 1
1057 1 85 ARG H 1 85 ARG QD 1.800 . 6.000 4.049 2.148 5.146 . 0 0 "[ . 1 . 2]" 1
1058 1 85 ARG H 1 86 ASN H 1.800 . 4.000 2.799 1.922 3.965 . 0 0 "[ . 1 . 2]" 1
1059 1 85 ARG HA 1 86 ASN H 1.800 . 3.500 2.964 2.150 3.553 0.053 5 0 "[ . 1 . 2]" 1
1060 1 85 ARG QG 1 86 ASN H 1.800 . 5.000 4.311 2.295 4.964 . 0 0 "[ . 1 . 2]" 1
1061 1 85 ARG HA 1 85 ARG QD 1.800 . 5.000 3.507 2.198 4.421 . 0 0 "[ . 1 . 2]" 1
1062 1 85 ARG HA 1 85 ARG QG 1.800 . 4.000 2.447 2.083 3.381 . 0 0 "[ . 1 . 2]" 1
1063 1 86 ASN HA 1 87 LEU H 1.800 . 3.300 2.387 2.139 2.897 . 0 0 "[ . 1 . 2]" 1
1064 1 86 ASN H 1 87 LEU H 1.800 . 4.500 4.102 2.940 4.500 0.000 16 0 "[ . 1 . 2]" 1
1065 1 86 ASN HA 1 86 ASN QD 1.800 . 6.000 3.388 2.139 4.336 . 0 0 "[ . 1 . 2]" 1
1066 1 86 ASN H 1 86 ASN QD 1.800 . 6.000 4.244 2.323 5.248 . 0 0 "[ . 1 . 2]" 1
1067 1 86 ASN QD 1 87 LEU QB 1.800 . 6.000 5.129 3.720 6.041 0.041 2 0 "[ . 1 . 2]" 1
1068 1 86 ASN QB 1 87 LEU H 1.800 . 5.000 3.183 1.962 4.056 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.640
_Distance_constraint_stats_list.Viol_max 0.025
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0160
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.007 0.007 4 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.025 0.025 13 0 "[ . 1 . 2]"
1 57 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.025 0.025 13 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.007 0.007 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ILE H 1 18 ILE O 2.000 . 2.700 2.139 1.809 2.556 . 0 0 "[ . 1 . 2]" 2
2 1 7 ILE N 1 18 ILE O 3.000 2.400 3.700 3.084 2.748 3.499 . 0 0 "[ . 1 . 2]" 2
3 1 8 LYS H 1 76 LEU O 2.000 . 2.700 2.337 1.961 2.707 0.007 4 0 "[ . 1 . 2]" 2
4 1 8 LYS N 1 76 LEU O 3.000 2.400 3.700 3.162 2.798 3.552 . 0 0 "[ . 1 . 2]" 2
5 1 9 PHE H 1 16 ARG O 2.000 . 2.700 1.994 1.762 2.252 . 0 0 "[ . 1 . 2]" 2
6 1 9 PHE N 1 16 ARG O 3.000 2.400 3.700 2.914 2.697 3.132 . 0 0 "[ . 1 . 2]" 2
7 1 11 HIS O 1 14 GLU H 2.000 . 2.700 2.034 1.955 2.146 . 0 0 "[ . 1 . 2]" 2
8 1 11 HIS O 1 14 GLU N 3.000 2.400 3.700 2.925 2.847 3.053 . 0 0 "[ . 1 . 2]" 2
9 1 7 ILE O 1 18 ILE H 2.000 . 2.700 2.205 1.755 2.582 . 0 0 "[ . 1 . 2]" 2
10 1 7 ILE O 1 18 ILE N 3.000 2.400 3.700 3.165 2.689 3.516 . 0 0 "[ . 1 . 2]" 2
11 1 5 VAL O 1 20 PHE H 2.000 . 2.700 2.064 1.913 2.366 . 0 0 "[ . 1 . 2]" 2
12 1 5 VAL O 1 20 PHE N 3.000 2.400 3.700 2.992 2.844 3.181 . 0 0 "[ . 1 . 2]" 2
13 1 28 ASP O 1 32 LYS H 2.000 . 2.700 2.389 2.017 2.512 . 0 0 "[ . 1 . 2]" 2
14 1 28 ASP O 1 32 LYS N 3.000 2.400 3.700 3.292 2.974 3.435 . 0 0 "[ . 1 . 2]" 2
15 1 29 VAL O 1 33 VAL H 2.000 . 2.700 2.152 1.859 2.425 . 0 0 "[ . 1 . 2]" 2
16 1 29 VAL O 1 33 VAL N 3.000 2.400 3.700 3.114 2.834 3.385 . 0 0 "[ . 1 . 2]" 2
17 1 32 LYS O 1 36 VAL H 2.000 . 2.700 1.916 1.758 2.153 . 0 0 "[ . 1 . 2]" 2
18 1 32 LYS O 1 36 VAL N 3.000 2.400 3.700 2.880 2.728 3.097 . 0 0 "[ . 1 . 2]" 2
19 1 56 ASN O 1 60 LEU H 2.000 . 2.700 2.582 2.402 2.725 0.025 13 0 "[ . 1 . 2]" 2
20 1 56 ASN O 1 60 LEU N 3.000 2.400 3.700 3.520 3.368 3.675 . 0 0 "[ . 1 . 2]" 2
21 1 57 GLN O 1 61 ASP H 2.000 . 2.700 1.804 1.672 2.009 . 0 0 "[ . 1 . 2]" 2
22 1 57 GLN O 1 61 ASP N 3.000 2.400 3.700 2.748 2.621 2.957 . 0 0 "[ . 1 . 2]" 2
23 1 58 ASP O 1 62 LYS H 2.000 . 2.700 2.121 1.858 2.444 . 0 0 "[ . 1 . 2]" 2
24 1 58 ASP O 1 62 LYS N 3.000 2.400 3.700 3.039 2.798 3.365 . 0 0 "[ . 1 . 2]" 2
25 1 59 ASP O 1 63 ALA H 2.000 . 2.700 2.273 2.122 2.429 . 0 0 "[ . 1 . 2]" 2
26 1 59 ASP O 1 63 ALA N 3.000 2.400 3.700 3.151 3.003 3.281 . 0 0 "[ . 1 . 2]" 2
27 1 60 LEU O 1 64 ILE H 2.000 . 2.700 2.297 1.924 2.536 . 0 0 "[ . 1 . 2]" 2
28 1 60 LEU O 1 64 ILE N 3.000 2.400 3.700 3.196 2.883 3.395 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 3:35:24 PM GMT (wattos1)