NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392909 |
1q56   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1q56
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 69
_Distance_constraint_stats_list.Viol_count 193
_Distance_constraint_stats_list.Viol_total 176.901
_Distance_constraint_stats_list.Viol_max 0.285
_Distance_constraint_stats_list.Viol_rms 0.0325
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.0611
_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 16 ALA 0.069 0.054 11 0 "[ . 1 .]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 18 ALA 0.557 0.217 14 0 "[ . 1 .]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 20 ASP 0.589 0.098 7 0 "[ . 1 .]"
1 24 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 26 GLU 0.033 0.027 14 0 "[ . 1 .]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 40 SER 0.000 0.000 . 0 "[ . 1 .]"
1 42 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 43 PHE 0.541 0.093 6 0 "[ . 1 .]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 45 LEU 0.214 0.092 13 0 "[ . 1 .]"
1 46 SER 0.000 0.000 . 0 "[ . 1 .]"
1 47 ILE 1.406 0.165 4 0 "[ . 1 .]"
1 48 LYS 1.453 0.205 5 0 "[ . 1 .]"
1 49 THR 2.008 0.285 14 0 "[ . 1 .]"
1 50 GLU 1.141 0.225 14 0 "[ . 1 .]"
1 52 THR 0.217 0.088 6 0 "[ . 1 .]"
1 53 GLN 0.387 0.083 6 0 "[ . 1 .]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 57 LEU 0.860 0.099 7 0 "[ . 1 .]"
1 58 TRP 0.541 0.099 7 0 "[ . 1 .]"
1 59 SER 0.366 0.069 6 0 "[ . 1 .]"
1 69 ILE 0.426 0.141 10 0 "[ . 1 .]"
1 71 LEU 0.136 0.102 12 0 "[ . 1 .]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 73 ILE 0.377 0.068 13 0 "[ . 1 .]"
1 74 VAL 0.387 0.083 6 0 "[ . 1 .]"
1 76 GLY 0.217 0.088 6 0 "[ . 1 .]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 78 VAL 0.377 0.068 13 0 "[ . 1 .]"
1 79 GLN 0.222 0.045 6 0 "[ . 1 .]"
1 80 MET 0.136 0.102 12 0 "[ . 1 .]"
1 81 MET 0.213 0.079 15 0 "[ . 1 .]"
1 82 TYR 0.426 0.141 10 0 "[ . 1 .]"
1 83 ASP 0.450 0.086 7 0 "[ . 1 .]"
1 88 PRO 0.450 0.086 7 0 "[ . 1 .]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 90 VAL 0.213 0.079 15 0 "[ . 1 .]"
1 92 ARG 0.222 0.045 6 0 "[ . 1 .]"
1 93 SER 0.000 0.000 . 0 "[ . 1 .]"
1 98 ASN 1.141 0.225 14 0 "[ . 1 .]"
1 101 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 102 TRP 1.453 0.205 5 0 "[ . 1 .]"
1 104 HIS 1.401 0.165 4 0 "[ . 1 .]"
1 105 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 106 LYS 0.252 0.092 13 0 "[ . 1 .]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 108 TYR 0.374 0.093 6 0 "[ . 1 .]"
1 109 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 113 GLU 0.080 0.059 12 0 "[ . 1 .]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 115 SER 0.011 0.006 8 0 "[ . 1 .]"
1 116 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 117 GLN 0.038 0.038 11 0 "[ . 1 .]"
1 118 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 121 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 124 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 125 THR 0.005 0.003 2 0 "[ . 1 .]"
1 126 GLY 0.006 0.006 8 0 "[ . 1 .]"
1 127 SER 0.080 0.059 12 0 "[ . 1 .]"
1 141 LEU 0.366 0.069 6 0 "[ . 1 .]"
1 142 TRP 0.033 0.027 14 0 "[ . 1 .]"
1 143 LEU 0.319 0.097 9 0 "[ . 1 .]"
1 144 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 145 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 165 GLY 2.212 0.285 14 0 "[ . 1 .]"
1 166 CYS 0.410 0.225 14 0 "[ . 1 .]"
1 167 ILE 0.005 0.005 2 0 "[ . 1 .]"
1 168 ARG 0.069 0.054 11 0 "[ . 1 .]"
1 170 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 171 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 172 VAL 0.168 0.058 14 0 "[ . 1 .]"
1 191 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 192 CYS 0.532 0.217 14 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 113 GLU HA 1 127 SER HA 1.800 . 2.700 1.816 1.741 1.895 0.059 12 0 "[ . 1 .]" 1
2 1 115 SER HA 1 125 THR HA 1.800 . 2.700 1.944 1.797 2.215 0.003 2 0 "[ . 1 .]" 1
3 1 105 ILE HA 1 118 VAL HA 1.800 . 2.700 2.306 1.942 2.568 . 0 0 "[ . 1 .]" 1
4 1 107 ALA HA 1 116 LEU HA 1.800 . 2.700 2.328 2.002 2.634 . 0 0 "[ . 1 .]" 1
5 1 40 SER HA 1 110 VAL HA 1.800 . 5.000 2.613 1.881 3.118 . 0 0 "[ . 1 .]" 1
6 1 44 GLU HA 1 106 LYS HA 1.800 . 2.700 2.542 2.282 2.695 . 0 0 "[ . 1 .]" 1
7 1 46 SER HA 1 104 HIS HA 1.800 . 2.700 2.380 2.205 2.575 . 0 0 "[ . 1 .]" 1
8 1 48 LYS HA 1 102 TRP HA 1.800 . 3.300 3.397 3.327 3.505 0.205 5 0 "[ . 1 .]" 1
9 1 43 PHE HA 1 172 VAL HA 1.800 . 2.700 2.589 2.304 2.758 0.058 14 0 "[ . 1 .]" 1
10 1 45 LEU HA 1 170 VAL HA 1.800 . 2.700 2.120 1.861 2.442 . 0 0 "[ . 1 .]" 1
11 1 47 ILE HA 1 167 ILE HA 1.800 . 2.700 1.901 1.795 2.033 0.005 2 0 "[ . 1 .]" 1
12 1 18 ALA HA 1 166 CYS HA 1.800 . 2.700 2.473 2.261 2.725 0.025 14 0 "[ . 1 .]" 1
13 1 18 ALA HA 1 192 CYS HA 1.800 . 4.000 3.828 2.872 4.217 0.217 14 0 "[ . 1 .]" 1
14 1 16 ALA HA 1 168 ARG HA 1.800 . 4.000 3.791 3.472 4.054 0.054 11 0 "[ . 1 .]" 1
15 1 79 GLN HA 1 92 ARG HA 1.800 . 2.700 1.802 1.755 1.870 0.045 6 0 "[ . 1 .]" 1
16 1 81 MET HA 1 90 VAL HA 1.800 . 2.700 2.576 2.209 2.779 0.079 15 0 "[ . 1 .]" 1
17 1 83 ASP HA 1 88 PRO HA 1.800 . 2.700 2.654 2.261 2.786 0.086 7 0 "[ . 1 .]" 1
18 1 73 ILE HA 1 78 VAL HA 1.800 . 2.700 1.804 1.732 2.028 0.068 13 0 "[ . 1 .]" 1
19 1 71 LEU HA 1 80 MET HA 1.800 . 2.700 2.468 2.040 2.802 0.102 12 0 "[ . 1 .]" 1
20 1 69 ILE HA 1 82 TYR HA 1.800 . 2.700 2.459 1.835 2.841 0.141 10 0 "[ . 1 .]" 1
21 1 53 GLN HA 1 74 VAL HA 1.800 . 2.700 2.686 2.479 2.783 0.083 6 0 "[ . 1 .]" 1
22 1 57 LEU HA 1 143 LEU HA 1.800 . 4.000 1.818 1.703 2.088 0.097 9 0 "[ . 1 .]" 1
23 1 59 SER HA 1 141 LEU HA 1.800 . 2.700 2.686 2.472 2.769 0.069 6 0 "[ . 1 .]" 1
24 1 24 TYR HA 1 145 GLY QA 1.800 . 5.000 4.297 3.954 4.463 . 0 0 "[ . 1 .]" 1
25 1 26 GLU HA 1 142 TRP HA 1.800 . 5.000 2.408 1.773 2.943 0.027 14 0 "[ . 1 .]" 1
26 1 50 GLU HA 1 98 ASN HA 1.800 . 4.000 3.846 2.288 4.225 0.225 14 0 "[ . 1 .]" 1
27 1 49 THR HA 1 165 GLY HA2 1.800 . 4.000 4.108 4.017 4.285 0.285 14 0 "[ . 1 .]" 1
28 1 52 THR HA 1 76 GLY QA 1.800 . 3.300 1.815 1.712 1.907 0.088 6 0 "[ . 1 .]" 1
29 1 48 LYS HA 1 101 HIS HA 1.800 . 5.000 4.534 4.059 4.844 . 0 0 "[ . 1 .]" 1
30 1 17 ILE HA 1 191 HIS HA 1.800 . 2.700 2.020 1.832 2.354 . 0 0 "[ . 1 .]" 1
31 1 114 GLY H 1 126 GLY HA3 1.800 . 5.000 4.458 4.045 4.657 . 0 0 "[ . 1 .]" 1
32 1 114 GLY H 1 126 GLY HA2 1.800 . 5.000 4.796 4.433 4.926 . 0 0 "[ . 1 .]" 1
33 1 114 GLY H 1 127 SER HA 1.800 . 5.000 2.546 2.399 2.666 . 0 0 "[ . 1 .]" 1
34 1 115 SER HA 1 126 GLY H 1.800 . 4.000 3.669 3.415 4.006 0.006 8 0 "[ . 1 .]" 1
35 1 117 GLN HA 1 124 ILE H 1.800 . 5.000 3.710 3.318 4.286 . 0 0 "[ . 1 .]" 1
36 1 116 LEU H 1 125 THR HA 1.800 . 4.500 3.481 3.221 3.770 . 0 0 "[ . 1 .]" 1
37 1 117 GLN HA 1 121 GLU H 1.800 . 5.000 3.823 3.265 4.275 . 0 0 "[ . 1 .]" 1
38 1 119 GLY QA 1 121 GLU H 1.800 . 5.500 3.812 3.454 4.220 . 0 0 "[ . 1 .]" 1
39 1 106 LYS H 1 117 GLN HA 1.800 . 5.000 4.542 3.969 5.038 0.038 11 0 "[ . 1 .]" 1
40 1 42 HIS HA 1 109 ARG H 1.800 . 5.000 4.142 3.142 4.545 . 0 0 "[ . 1 .]" 1
41 1 43 PHE H 1 108 TYR HA 1.800 . 4.000 3.877 3.561 4.093 0.093 6 0 "[ . 1 .]" 1
42 1 42 HIS HA 1 107 ALA H 1.800 . 6.000 4.467 4.218 4.914 . 0 0 "[ . 1 .]" 1
43 1 45 LEU H 1 106 LYS HA 1.800 . 4.000 3.906 3.568 4.092 0.092 13 0 "[ . 1 .]" 1
44 1 45 LEU H 1 104 HIS HA 1.800 . 5.000 4.572 4.236 4.714 . 0 0 "[ . 1 .]" 1
45 1 45 LEU HA 1 105 ILE H 1.800 . 6.000 4.876 4.735 5.028 . 0 0 "[ . 1 .]" 1
46 1 46 SER HA 1 105 ILE H 1.800 . 4.000 3.096 2.679 3.432 . 0 0 "[ . 1 .]" 1
47 1 47 ILE H 1 104 HIS HA 1.800 . 4.000 4.093 4.026 4.165 0.165 4 0 "[ . 1 .]" 1
48 1 47 ILE H 1 102 TRP HA 1.800 . 4.000 3.800 3.590 3.976 . 0 0 "[ . 1 .]" 1
49 1 48 LYS H 1 167 ILE HA 1.800 . 5.000 3.571 3.374 3.836 . 0 0 "[ . 1 .]" 1
50 1 49 THR HA 1 166 CYS H 1.800 . 5.000 4.247 3.919 5.225 0.225 14 0 "[ . 1 .]" 1
51 1 47 ILE HA 1 168 ARG H 1.800 . 5.000 3.504 3.274 3.625 . 0 0 "[ . 1 .]" 1
52 1 45 LEU HA 1 168 ARG H 1.800 . 5.000 4.817 4.725 4.908 . 0 0 "[ . 1 .]" 1
53 1 45 LEU HA 1 171 ILE H 1.800 . 4.500 3.804 3.546 4.004 . 0 0 "[ . 1 .]" 1
54 1 19 PHE H 1 166 CYS HA 1.800 . 4.000 3.166 2.909 3.453 . 0 0 "[ . 1 .]" 1
55 1 19 PHE H 1 165 GLY HA2 1.800 . 5.000 4.099 3.838 4.338 . 0 0 "[ . 1 .]" 1
56 1 20 ASP HA 1 165 GLY H 1.800 . 5.000 5.032 4.944 5.098 0.098 7 0 "[ . 1 .]" 1
57 1 18 ALA HA 1 167 ILE H 1.800 . 5.000 4.245 4.066 4.455 . 0 0 "[ . 1 .]" 1
58 1 16 ALA HA 1 167 ILE H 1.800 . 5.000 4.476 4.069 4.828 . 0 0 "[ . 1 .]" 1
59 1 79 GLN HA 1 93 SER H 1.800 . 4.000 3.680 3.503 3.913 . 0 0 "[ . 1 .]" 1
60 1 81 MET HA 1 89 VAL H 1.800 . 5.000 3.608 3.111 4.248 . 0 0 "[ . 1 .]" 1
61 1 73 ILE HA 1 79 GLN H 1.800 . 5.000 3.756 3.491 4.092 . 0 0 "[ . 1 .]" 1
62 1 73 ILE HA 1 77 PHE H 1.800 . 5.000 4.321 3.900 4.899 . 0 0 "[ . 1 .]" 1
63 1 55 LEU HA 1 73 ILE H 1.800 . 5.000 2.824 2.510 3.284 . 0 0 "[ . 1 .]" 1
64 1 54 GLY QA 1 73 ILE H 1.800 . 5.000 3.812 3.576 4.013 . 0 0 "[ . 1 .]" 1
65 1 57 LEU H 1 58 TRP HA 1.800 . 5.000 5.030 4.929 5.099 0.099 7 0 "[ . 1 .]" 1
66 1 57 LEU H 1 72 ALA HA 1.800 . 5.000 3.766 3.637 3.936 . 0 0 "[ . 1 .]" 1
67 1 57 LEU HA 1 144 GLY H 1.800 . 5.000 2.974 2.782 3.123 . 0 0 "[ . 1 .]" 1
68 1 58 TRP H 1 143 LEU HA 1.800 . 5.000 3.272 2.922 3.715 . 0 0 "[ . 1 .]" 1
69 1 27 TYR H 1 142 TRP HA 1.800 . 5.000 3.292 2.709 3.949 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 25
_Distance_constraint_stats_list.Viol_count 116
_Distance_constraint_stats_list.Viol_total 132.580
_Distance_constraint_stats_list.Viol_max 0.276
_Distance_constraint_stats_list.Viol_rms 0.0472
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0236
_Distance_constraint_stats_list.Viol_average_violations_only 0.0762
_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 17 ILE 0.248 0.067 5 0 "[ . 1 .]"
1 19 PHE 0.344 0.092 4 0 "[ . 1 .]"
1 25 MET 0.154 0.063 13 0 "[ . 1 .]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 44 GLU 0.690 0.092 2 0 "[ . 1 .]"
1 45 LEU 0.101 0.070 2 0 "[ . 1 .]"
1 46 SER 1.560 0.165 3 0 "[ . 1 .]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 58 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 68 TYR 1.946 0.276 12 0 "[ . 1 .]"
1 69 ILE 0.062 0.062 10 0 "[ . 1 .]"
1 73 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 79 GLN 0.704 0.096 15 0 "[ . 1 .]"
1 80 MET 0.000 0.000 . 0 "[ . 1 .]"
1 83 ASP 0.062 0.062 10 0 "[ . 1 .]"
1 84 LEU 1.946 0.276 12 0 "[ . 1 .]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 93 SER 0.704 0.096 15 0 "[ . 1 .]"
1 103 THR 0.000 0.000 . 0 "[ . 1 .]"
1 104 HIS 0.440 0.104 5 0 "[ . 1 .]"
1 105 ILE 0.101 0.070 2 0 "[ . 1 .]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 114 GLY 1.903 0.196 2 0 "[ . 1 .]"
1 116 LEU 0.686 0.151 6 0 "[ . 1 .]"
1 118 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 119 GLY 0.440 0.104 5 0 "[ . 1 .]"
1 121 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 124 ILE 0.686 0.151 6 0 "[ . 1 .]"
1 125 THR 0.000 0.000 . 0 "[ . 1 .]"
1 126 GLY 0.003 0.003 6 0 "[ . 1 .]"
1 128 SER 1.900 0.196 2 0 "[ . 1 .]"
1 142 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 143 LEU 0.154 0.063 13 0 "[ . 1 .]"
1 165 GLY 0.344 0.092 4 0 "[ . 1 .]"
1 166 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 167 ILE 0.248 0.067 5 0 "[ . 1 .]"
1 168 ARG 1.560 0.165 3 0 "[ . 1 .]"
1 171 ILE 0.690 0.092 2 0 "[ . 1 .]"
1 172 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 175 GLN 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 114 GLY H 1 126 GLY H 1.800 . 3.300 3.158 2.739 3.303 0.003 6 0 "[ . 1 .]" 2
2 1 114 GLY H 1 128 SER H 1.800 . 4.500 4.627 4.561 4.696 0.196 2 0 "[ . 1 .]" 2
3 1 116 LEU H 1 125 THR H 1.800 . 5.000 4.603 4.353 4.899 . 0 0 "[ . 1 .]" 2
4 1 116 LEU H 1 124 ILE H 1.800 . 2.800 2.793 2.487 2.951 0.151 6 0 "[ . 1 .]" 2
5 1 118 VAL H 1 121 GLU H 1.800 . 4.000 3.314 2.821 3.878 . 0 0 "[ . 1 .]" 2
6 1 104 HIS H 1 119 GLY H 1.800 . 4.000 3.980 3.539 4.104 0.104 5 0 "[ . 1 .]" 2
7 1 43 PHE H 1 107 ALA H 1.800 . 5.000 2.737 2.513 3.022 . 0 0 "[ . 1 .]" 2
8 1 45 LEU H 1 105 ILE H 1.800 . 3.300 3.074 2.844 3.370 0.070 2 0 "[ . 1 .]" 2
9 1 47 ILE H 1 103 THR H 1.800 . 3.300 2.708 2.482 3.026 . 0 0 "[ . 1 .]" 2
10 1 48 LYS H 1 166 CYS H 1.800 . 3.300 2.369 2.001 2.733 . 0 0 "[ . 1 .]" 2
11 1 46 SER H 1 168 ARG H 1.800 . 2.800 2.904 2.806 2.965 0.165 3 0 "[ . 1 .]" 2
12 1 44 GLU H 1 171 ILE H 1.800 . 2.800 2.846 2.816 2.892 0.092 2 0 "[ . 1 .]" 2
13 1 172 VAL H 1 175 GLN H 1.800 . 3.300 2.141 1.859 2.549 . 0 0 "[ . 1 .]" 2
14 1 17 ILE H 1 167 ILE H 1.800 . 2.800 2.790 2.614 2.867 0.067 5 0 "[ . 1 .]" 2
15 1 19 PHE H 1 165 GLY H 1.800 . 2.800 2.738 2.462 2.892 0.092 4 0 "[ . 1 .]" 2
16 1 78 VAL H 1 93 SER H 1.800 . 5.000 3.491 3.124 4.005 . 0 0 "[ . 1 .]" 2
17 1 79 GLN H 1 93 SER H 1.800 . 5.000 4.978 4.481 5.096 0.096 15 0 "[ . 1 .]" 2
18 1 80 MET H 1 91 LEU H 1.800 . 4.000 3.053 2.509 3.530 . 0 0 "[ . 1 .]" 2
19 1 68 TYR H 1 83 ASP H 1.800 . 5.000 3.065 2.409 3.676 . 0 0 "[ . 1 .]" 2
20 1 68 TYR H 1 84 LEU H 1.800 . 4.000 4.104 3.739 4.276 0.276 12 0 "[ . 1 .]" 2
21 1 69 ILE H 1 83 ASP H 1.800 . 5.000 4.651 4.073 5.062 0.062 10 0 "[ . 1 .]" 2
22 1 74 VAL H 1 77 PHE H 1.800 . 4.000 2.793 2.504 3.257 . 0 0 "[ . 1 .]" 2
23 1 54 GLY H 1 73 ILE H 1.800 . 3.300 2.744 2.436 2.957 . 0 0 "[ . 1 .]" 2
24 1 58 TRP H 1 142 TRP H 1.800 . 4.000 2.936 2.701 3.132 . 0 0 "[ . 1 .]" 2
25 1 25 MET H 1 143 LEU H 1.800 . 3.300 3.051 2.522 3.363 0.063 13 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1435
_Distance_constraint_stats_list.Viol_count 2041
_Distance_constraint_stats_list.Viol_total 2983.253
_Distance_constraint_stats_list.Viol_max 0.406
_Distance_constraint_stats_list.Viol_rms 0.0371
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0974
_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 10 ALA 0.604 0.153 11 0 "[ . 1 .]"
1 11 ALA 0.451 0.153 11 0 "[ . 1 .]"
1 12 GLY 0.152 0.085 3 0 "[ . 1 .]"
1 13 ASP 0.044 0.038 4 0 "[ . 1 .]"
1 14 ALA 0.165 0.044 14 0 "[ . 1 .]"
1 15 GLU 2.828 0.283 12 0 "[ . 1 .]"
1 16 ALA 1.641 0.283 12 0 "[ . 1 .]"
1 17 ILE 1.087 0.242 9 0 "[ . 1 .]"
1 18 ALA 0.181 0.058 3 0 "[ . 1 .]"
1 19 PHE 0.959 0.105 7 0 "[ . 1 .]"
1 20 ASP 0.094 0.057 15 0 "[ . 1 .]"
1 21 GLY 0.620 0.109 1 0 "[ . 1 .]"
1 22 ARG 0.115 0.057 15 0 "[ . 1 .]"
1 23 THR 0.600 0.374 13 0 "[ . 1 .]"
1 24 TYR 2.093 0.374 13 0 "[ . 1 .]"
1 25 MET 1.087 0.242 9 0 "[ . 1 .]"
1 26 GLU 2.365 0.141 14 0 "[ . 1 .]"
1 27 TYR 1.306 0.137 9 0 "[ . 1 .]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 31 VAL 0.023 0.023 8 0 "[ . 1 .]"
1 32 THR 0.268 0.178 10 0 "[ . 1 .]"
1 34 SER 0.560 0.178 10 0 "[ . 1 .]"
1 35 GLU 0.292 0.153 10 0 "[ . 1 .]"
1 36 LYS 0.033 0.033 13 0 "[ . 1 .]"
1 37 ALA 0.480 0.090 15 0 "[ . 1 .]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 39 GLN 1.669 0.244 13 0 "[ . 1 .]"
1 40 SER 1.685 0.244 13 0 "[ . 1 .]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 42 HIS 0.016 0.016 2 0 "[ . 1 .]"
1 43 PHE 0.497 0.106 14 0 "[ . 1 .]"
1 44 GLU 1.734 0.106 14 0 "[ . 1 .]"
1 45 LEU 2.734 0.130 5 0 "[ . 1 .]"
1 46 SER 2.889 0.147 6 0 "[ . 1 .]"
1 47 ILE 0.089 0.040 8 0 "[ . 1 .]"
1 48 LYS 6.689 0.174 5 0 "[ . 1 .]"
1 49 THR 2.838 0.282 4 0 "[ . 1 .]"
1 50 GLU 1.839 0.168 4 0 "[ . 1 .]"
1 51 ALA 2.201 0.282 4 0 "[ . 1 .]"
1 52 THR 2.049 0.205 14 0 "[ . 1 .]"
1 53 GLN 1.598 0.205 14 0 "[ . 1 .]"
1 54 GLY 2.424 0.152 6 0 "[ . 1 .]"
1 55 LEU 14.764 0.399 15 0 "[ . 1 .]"
1 56 ILE 1.788 0.155 5 0 "[ . 1 .]"
1 57 LEU 8.145 0.281 5 0 "[ . 1 .]"
1 58 TRP 2.591 0.291 9 0 "[ . 1 .]"
1 59 SER 0.035 0.035 6 0 "[ . 1 .]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 61 LYS 0.335 0.119 14 0 "[ . 1 .]"
1 62 GLY 0.181 0.098 2 0 "[ . 1 .]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 64 GLU 0.342 0.186 15 0 "[ . 1 .]"
1 65 ARG 4.855 0.331 14 0 "[ . 1 .]"
1 66 SER 6.922 0.195 7 0 "[ . 1 .]"
1 67 ASP 0.331 0.148 1 0 "[ . 1 .]"
1 68 TYR 2.182 0.343 11 0 "[ . 1 .]"
1 69 ILE 2.493 0.343 11 0 "[ . 1 .]"
1 70 ALA 0.251 0.075 5 0 "[ . 1 .]"
1 71 LEU 5.120 0.281 5 0 "[ . 1 .]"
1 72 ALA 1.866 0.200 2 0 "[ . 1 .]"
1 73 ILE 0.631 0.175 14 0 "[ . 1 .]"
1 74 VAL 1.738 0.251 11 0 "[ . 1 .]"
1 75 ASP 0.350 0.076 4 0 "[ . 1 .]"
1 76 GLY 0.075 0.031 6 0 "[ . 1 .]"
1 77 PHE 0.043 0.027 5 0 "[ . 1 .]"
1 78 VAL 0.813 0.148 8 0 "[ . 1 .]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 80 MET 1.450 0.201 7 0 "[ . 1 .]"
1 81 MET 0.000 0.000 . 0 "[ . 1 .]"
1 82 TYR 2.290 0.243 2 0 "[ . 1 .]"
1 83 ASP 1.207 0.197 3 0 "[ . 1 .]"
1 84 LEU 0.917 0.105 7 0 "[ . 1 .]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 86 SER 0.254 0.095 12 0 "[ . 1 .]"
1 87 LYS 0.593 0.197 3 0 "[ . 1 .]"
1 88 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 89 VAL 2.290 0.243 2 0 "[ . 1 .]"
1 90 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 91 LEU 6.602 0.406 13 0 "[ . 1 .]"
1 92 ARG 13.111 0.406 13 0 "[ . 1 .]"
1 93 SER 8.182 0.271 13 0 "[ . 1 .]"
1 94 THR 0.151 0.093 8 0 "[ . 1 .]"
1 95 VAL 0.698 0.065 11 0 "[ . 1 .]"
1 96 PRO 0.292 0.065 11 0 "[ . 1 .]"
1 97 ILE 0.592 0.110 14 0 "[ . 1 .]"
1 98 ASN 1.249 0.110 14 0 "[ . 1 .]"
1 99 THR 0.868 0.096 5 0 "[ . 1 .]"
1 100 ASN 1.404 0.126 4 0 "[ . 1 .]"
1 101 HIS 3.077 0.212 13 0 "[ . 1 .]"
1 102 TRP 3.760 0.172 9 0 "[ . 1 .]"
1 103 THR 1.481 0.109 15 0 "[ . 1 .]"
1 104 HIS 0.430 0.074 12 0 "[ . 1 .]"
1 105 ILE 0.687 0.130 5 0 "[ . 1 .]"
1 106 LYS 1.394 0.171 1 0 "[ . 1 .]"
1 107 ALA 0.393 0.077 7 0 "[ . 1 .]"
1 108 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 109 ARG 0.217 0.061 1 0 "[ . 1 .]"
1 110 VAL 0.167 0.090 8 0 "[ . 1 .]"
1 111 GLN 0.860 0.195 1 0 "[ . 1 .]"
1 112 ARG 2.515 0.195 1 0 "[ . 1 .]"
1 113 GLU 0.297 0.190 12 0 "[ . 1 .]"
1 114 GLY 1.002 0.129 2 0 "[ . 1 .]"
1 115 SER 0.333 0.082 8 0 "[ . 1 .]"
1 116 LEU 4.047 0.233 14 0 "[ . 1 .]"
1 117 GLN 5.156 0.378 5 0 "[ . 1 .]"
1 118 VAL 4.872 0.305 8 0 "[ . 1 .]"
1 119 GLY 2.068 0.305 8 0 "[ . 1 .]"
1 120 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 121 GLU 1.214 0.216 4 0 "[ . 1 .]"
1 122 ALA 0.381 0.105 11 0 "[ . 1 .]"
1 123 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 124 ILE 1.535 0.232 12 0 "[ . 1 .]"
1 125 THR 0.457 0.077 7 0 "[ . 1 .]"
1 126 GLY 0.948 0.147 8 0 "[ . 1 .]"
1 127 SER 4.548 0.190 12 0 "[ . 1 .]"
1 128 SER 3.828 0.254 12 0 "[ . 1 .]"
1 129 PRO 0.332 0.214 12 0 "[ . 1 .]"
1 130 LEU 4.324 0.254 12 0 "[ . 1 .]"
1 131 GLY 1.087 0.183 8 0 "[ . 1 .]"
1 132 ALA 0.041 0.041 8 0 "[ . 1 .]"
1 133 THR 0.000 0.000 . 0 "[ . 1 .]"
1 135 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 136 ASP 0.447 0.090 15 0 "[ . 1 .]"
1 137 THR 0.691 0.143 13 0 "[ . 1 .]"
1 138 ASP 1.547 0.188 3 0 "[ . 1 .]"
1 139 GLY 0.691 0.143 13 0 "[ . 1 .]"
1 140 ALA 1.393 0.188 3 0 "[ . 1 .]"
1 141 LEU 0.212 0.062 10 0 "[ . 1 .]"
1 142 TRP 0.606 0.087 15 0 "[ . 1 .]"
1 143 LEU 1.646 0.236 7 0 "[ . 1 .]"
1 144 GLY 7.839 0.399 15 0 "[ . 1 .]"
1 145 GLY 12.081 0.335 10 0 "[ . 1 .]"
1 146 MET 4.236 0.335 8 0 "[ . 1 .]"
1 147 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 148 ARG 0.454 0.139 11 0 "[ . 1 .]"
1 149 LEU 8.823 0.391 2 0 "[ . 1 .]"
1 150 SER 3.060 0.356 3 0 "[ . 1 .]"
1 151 VAL 4.930 0.356 3 0 "[ . 1 .]"
1 152 ALA 0.482 0.164 14 0 "[ . 1 .]"
1 153 HIS 1.739 0.288 15 0 "[ . 1 .]"
1 154 LYS 4.313 0.288 15 0 "[ . 1 .]"
1 155 LEU 1.999 0.267 12 0 "[ . 1 .]"
1 157 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 158 ALA 2.794 0.249 11 0 "[ . 1 .]"
1 159 TYR 1.186 0.190 6 0 "[ . 1 .]"
1 160 SER 2.412 0.176 9 0 "[ . 1 .]"
1 161 THR 1.273 0.101 11 0 "[ . 1 .]"
1 162 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 163 PHE 3.190 0.140 14 0 "[ . 1 .]"
1 164 ILE 1.511 0.129 4 0 "[ . 1 .]"
1 165 GLY 2.530 0.136 8 0 "[ . 1 .]"
1 166 CYS 5.076 0.274 6 0 "[ . 1 .]"
1 167 ILE 7.048 0.274 6 0 "[ . 1 .]"
1 168 ARG 0.060 0.032 7 0 "[ . 1 .]"
1 169 ASP 0.734 0.109 11 0 "[ . 1 .]"
1 170 VAL 1.303 0.124 1 0 "[ . 1 .]"
1 171 ILE 2.520 0.210 4 0 "[ . 1 .]"
1 172 VAL 1.786 0.210 4 0 "[ . 1 .]"
1 173 ASP 0.064 0.064 7 0 "[ . 1 .]"
1 174 ARG 1.619 0.190 10 0 "[ . 1 .]"
1 175 GLN 5.291 0.313 1 0 "[ . 1 .]"
1 176 GLU 1.198 0.172 15 0 "[ . 1 .]"
1 177 LEU 1.198 0.172 15 0 "[ . 1 .]"
1 178 HIS 4.042 0.319 10 0 "[ . 1 .]"
1 179 LEU 1.831 0.210 14 0 "[ . 1 .]"
1 180 VAL 3.692 0.319 10 0 "[ . 1 .]"
1 181 GLU 1.247 0.127 13 0 "[ . 1 .]"
1 182 ASP 2.975 0.206 8 0 "[ . 1 .]"
1 183 ALA 0.252 0.102 13 0 "[ . 1 .]"
1 184 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 185 ASN 5.441 0.206 8 0 "[ . 1 .]"
1 186 ASN 4.354 0.175 14 0 "[ . 1 .]"
1 187 PRO 1.693 0.248 9 0 "[ . 1 .]"
1 188 THR 3.416 0.248 9 0 "[ . 1 .]"
1 189 ILE 1.088 0.182 8 0 "[ . 1 .]"
1 190 LEU 4.845 0.354 4 0 "[ . 1 .]"
1 191 HIS 6.465 0.249 8 0 "[ . 1 .]"
1 192 CYS 1.077 0.236 13 0 "[ . 1 .]"
1 193 SER 0.000 0.000 . 0 "[ . 1 .]"
1 194 ALA 0.485 0.110 2 0 "[ . 1 .]"
1 195 LYS 0.485 0.110 2 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 75 ASP H 1 76 GLY H 1.800 . 2.800 2.745 2.632 2.831 0.031 6 0 "[ . 1 .]" 3
2 1 74 VAL H 1 76 GLY H 1.800 . 5.000 3.740 3.176 4.238 . 0 0 "[ . 1 .]" 3
3 1 76 GLY H 1 77 PHE H 1.800 . 4.000 2.301 2.012 2.587 . 0 0 "[ . 1 .]" 3
4 1 53 GLN H 1 76 GLY H 1.800 . 6.000 4.754 4.459 5.075 . 0 0 "[ . 1 .]" 3
5 1 173 ASP H 1 175 GLN H 1.800 . 5.000 3.997 3.719 4.202 . 0 0 "[ . 1 .]" 3
6 1 173 ASP H 1 174 ARG H 1.800 . 2.800 2.687 2.451 2.864 0.064 7 0 "[ . 1 .]" 3
7 1 51 ALA H 1 52 THR H 1.800 . 5.000 3.399 1.866 4.502 . 0 0 "[ . 1 .]" 3
8 1 50 GLU H 1 51 ALA H 1.800 . 2.800 1.883 1.689 2.265 0.111 14 0 "[ . 1 .]" 3
9 1 53 GLN HE21 1 75 ASP H 1.800 . 3.300 2.104 1.861 2.847 . 0 0 "[ . 1 .]" 3
10 1 53 GLN HE22 1 75 ASP H 1.800 . 3.300 2.661 2.175 3.242 . 0 0 "[ . 1 .]" 3
11 1 52 THR H 1 75 ASP H 1.800 . 6.500 6.377 5.762 6.576 0.076 4 0 "[ . 1 .]" 3
12 1 75 ASP H 1 77 PHE H 1.800 . 5.000 4.205 4.048 4.436 . 0 0 "[ . 1 .]" 3
13 1 30 ALA H 1 31 VAL H 1.800 . 5.000 4.377 3.983 4.648 . 0 0 "[ . 1 .]" 3
14 1 188 THR H 1 189 ILE H 1.800 . 5.000 4.182 2.660 4.651 . 0 0 "[ . 1 .]" 3
15 1 172 VAL H 1 174 ARG H 1.800 . 5.000 3.590 3.223 4.536 . 0 0 "[ . 1 .]" 3
16 1 124 ILE H 1 125 THR H 1.800 . 5.000 4.269 4.081 4.638 . 0 0 "[ . 1 .]" 3
17 1 18 ALA H 1 192 CYS H 1.800 . 5.000 3.523 1.915 4.783 . 0 0 "[ . 1 .]" 3
18 1 73 ILE H 1 74 VAL H 1.800 . 5.000 4.459 4.380 4.549 . 0 0 "[ . 1 .]" 3
19 1 54 GLY H 1 74 VAL H 1.800 . 5.000 5.083 5.008 5.152 0.152 6 0 "[ . 1 .]" 3
20 1 58 TRP H 1 145 GLY H 1.800 . 5.000 5.130 5.036 5.291 0.291 9 0 "[ . 1 .]" 3
21 1 71 LEU H 1 72 ALA H 1.800 . 4.000 3.957 3.656 4.200 0.200 2 0 "[ . 1 .]" 3
22 1 179 LEU H 1 180 VAL H 1.800 . 3.300 2.903 2.564 3.295 . 0 0 "[ . 1 .]" 3
23 1 179 LEU H 1 181 GLU H 1.800 . 5.000 4.083 3.816 4.444 . 0 0 "[ . 1 .]" 3
24 1 94 THR H 1 95 VAL H 1.800 . 2.800 2.563 2.209 2.825 0.025 1 0 "[ . 1 .]" 3
25 1 131 GLY H 1 132 ALA H 1.800 . 4.000 2.946 2.148 4.041 0.041 8 0 "[ . 1 .]" 3
26 1 139 GLY H 1 140 ALA H 1.800 . 3.300 2.846 2.615 3.265 . 0 0 "[ . 1 .]" 3
27 1 15 GLU H 1 16 ALA H 1.800 . 4.000 4.080 3.876 4.283 0.283 12 0 "[ . 1 .]" 3
28 1 14 ALA H 1 15 GLU H 1.800 . 3.300 3.034 2.055 3.344 0.044 14 0 "[ . 1 .]" 3
29 1 154 LYS H 1 155 LEU H 1.800 . 3.300 2.568 1.766 3.567 0.267 12 0 "[ . 1 .]" 3
30 1 49 THR H 1 101 HIS H 1.800 . 5.000 3.932 2.576 4.560 . 0 0 "[ . 1 .]" 3
31 1 49 THR H 1 100 ASN H 1.800 . 4.000 3.687 2.297 4.097 0.097 13 0 "[ . 1 .]" 3
32 1 49 THR H 1 99 THR H 1.800 . 5.000 4.176 4.013 4.319 . 0 0 "[ . 1 .]" 3
33 1 120 ASN H 1 121 GLU H 1.800 . 3.300 2.729 1.853 3.019 . 0 0 "[ . 1 .]" 3
34 1 158 ALA H 1 159 TYR H 1.800 . 3.300 2.992 2.878 3.132 . 0 0 "[ . 1 .]" 3
35 1 158 ALA H 1 160 SER H 1.800 . 5.000 4.014 3.830 4.192 . 0 0 "[ . 1 .]" 3
36 1 92 ARG H 1 93 SER H 1.800 . 5.000 4.603 4.575 4.663 . 0 0 "[ . 1 .]" 3
37 1 20 ASP H 1 21 GLY H 1.800 . 2.800 2.016 1.830 2.384 . 0 0 "[ . 1 .]" 3
38 1 20 ASP H 1 22 ARG H 1.800 . 3.300 3.195 2.954 3.357 0.057 15 0 "[ . 1 .]" 3
39 1 153 HIS H 1 154 LYS H 1.800 . 4.000 3.896 2.373 4.288 0.288 15 0 "[ . 1 .]" 3
40 1 142 TRP H 1 143 LEU H 1.800 . 5.000 4.261 3.757 4.551 . 0 0 "[ . 1 .]" 3
41 1 50 GLU H 1 52 THR H 1.800 . 6.000 4.973 3.547 6.021 0.021 7 0 "[ . 1 .]" 3
42 1 182 ASP H 1 183 ALA H 1.800 . 2.800 2.281 2.077 2.481 . 0 0 "[ . 1 .]" 3
43 1 181 GLU H 1 183 ALA H 1.800 . 5.000 3.576 3.325 4.071 . 0 0 "[ . 1 .]" 3
44 1 97 ILE H 1 98 ASN H 1.800 . 2.800 1.999 1.849 2.152 . 0 0 "[ . 1 .]" 3
45 1 97 ILE H 1 99 THR H 1.800 . 5.000 4.847 4.347 5.042 0.042 15 0 "[ . 1 .]" 3
46 1 146 MET H 1 147 GLU H 1.800 . 5.000 4.253 4.002 4.413 . 0 0 "[ . 1 .]" 3
47 1 177 LEU H 1 178 HIS H 1.800 . 5.000 3.858 2.861 4.300 . 0 0 "[ . 1 .]" 3
48 1 61 LYS H 1 62 GLY H 1.800 . 3.300 3.069 1.819 3.398 0.098 2 0 "[ . 1 .]" 3
49 1 98 ASN H 1 99 THR H 1.800 . 4.000 3.582 3.324 3.769 . 0 0 "[ . 1 .]" 3
50 1 168 ARG H 1 169 ASP H 1.800 . 5.000 4.391 4.274 4.464 . 0 0 "[ . 1 .]" 3
51 1 32 THR H 1 34 SER H 1.800 . 5.000 4.868 4.448 5.178 0.178 10 0 "[ . 1 .]" 3
52 1 12 GLY H 1 13 ASP H 1.800 . 5.000 4.256 3.256 4.683 . 0 0 "[ . 1 .]" 3
53 1 13 ASP H 1 14 ALA H 1.800 . 3.300 2.640 1.907 3.338 0.038 4 0 "[ . 1 .]" 3
54 1 174 ARG H 1 175 GLN H 1.800 . 2.800 2.621 2.501 2.983 0.183 7 0 "[ . 1 .]" 3
55 1 100 ASN H 1 101 HIS H 1.800 . 3.300 2.805 2.741 2.982 . 0 0 "[ . 1 .]" 3
56 1 99 THR H 1 100 ASN H 1.800 . 2.800 2.299 2.066 2.602 . 0 0 "[ . 1 .]" 3
57 1 121 GLU H 1 122 ALA H 1.800 . 5.000 4.400 4.294 4.603 . 0 0 "[ . 1 .]" 3
58 1 117 GLN QE 1 121 GLU H 1.800 . 5.000 4.516 4.403 4.625 . 0 0 "[ . 1 .]" 3
59 1 56 ILE H 1 57 LEU H 1.800 . 4.000 2.417 2.313 2.540 . 0 0 "[ . 1 .]" 3
60 1 184 LEU H 1 185 ASN H 1.800 . 3.300 2.736 2.634 2.881 . 0 0 "[ . 1 .]" 3
61 1 169 ASP H 1 170 VAL H 1.800 . 3.300 3.273 3.000 3.409 0.109 11 0 "[ . 1 .]" 3
62 1 46 SER H 1 170 VAL H 1.800 . 6.000 5.224 4.724 5.574 . 0 0 "[ . 1 .]" 3
63 1 21 GLY H 1 22 ARG H 1.800 . 3.300 2.423 2.251 2.742 . 0 0 "[ . 1 .]" 3
64 1 22 ARG H 1 23 THR H 1.800 . 2.800 2.160 1.836 2.799 . 0 0 "[ . 1 .]" 3
65 1 34 SER H 1 35 GLU H 1.800 . 3.300 2.670 1.846 3.453 0.153 10 0 "[ . 1 .]" 3
66 1 21 GLY H 1 23 THR H 1.800 . 3.300 2.969 2.668 3.311 0.011 3 0 "[ . 1 .]" 3
67 1 20 ASP H 1 23 THR H 1.800 . 5.000 3.256 2.699 3.913 . 0 0 "[ . 1 .]" 3
68 1 159 TYR H 1 161 THR H 1.800 . 4.000 3.694 3.552 3.818 . 0 0 "[ . 1 .]" 3
69 1 160 SER H 1 161 THR H 1.800 . 2.800 2.514 2.423 2.602 . 0 0 "[ . 1 .]" 3
70 1 112 ARG H 1 128 SER H 1.800 . 5.000 5.064 4.899 5.174 0.174 15 0 "[ . 1 .]" 3
71 1 180 VAL H 1 181 GLU H 1.800 . 2.800 2.740 2.604 2.873 0.073 5 0 "[ . 1 .]" 3
72 1 181 GLU H 1 182 ASP H 1.800 . 2.800 2.812 2.600 2.927 0.127 13 0 "[ . 1 .]" 3
73 1 52 THR H 1 53 GLN H 1.800 . 2.800 2.383 1.851 2.888 0.088 5 0 "[ . 1 .]" 3
74 1 93 SER H 1 95 VAL H 1.800 . 5.000 4.915 4.770 5.053 0.053 6 0 "[ . 1 .]" 3
75 1 93 SER H 1 94 THR H 1.800 . 6.000 4.585 4.523 4.687 . 0 0 "[ . 1 .]" 3
76 1 93 SER H 1 124 ILE H 1.800 . 7.000 7.073 6.943 7.232 0.232 12 0 "[ . 1 .]" 3
77 1 65 ARG H 1 66 SER H 1.800 . 3.300 2.089 1.815 2.596 . 0 0 "[ . 1 .]" 3
78 1 85 GLY H 1 86 SER H 1.800 . 3.300 2.265 1.857 2.918 . 0 0 "[ . 1 .]" 3
79 1 185 ASN H 1 186 ASN H 1.800 . 2.800 2.683 2.570 2.811 0.011 4 0 "[ . 1 .]" 3
80 1 184 LEU H 1 186 ASN H 1.800 . 5.000 4.373 4.199 4.685 . 0 0 "[ . 1 .]" 3
81 1 161 THR H 1 162 GLY H 1.800 . 5.000 3.769 3.523 3.975 . 0 0 "[ . 1 .]" 3
82 1 66 SER H 1 67 ASP H 1.800 . 5.000 4.386 3.662 4.541 . 0 0 "[ . 1 .]" 3
83 1 180 VAL H 1 183 ALA H 1.800 . 5.000 4.604 4.322 4.892 . 0 0 "[ . 1 .]" 3
84 1 99 THR H 1 101 HIS H 1.800 . 4.000 3.261 3.010 3.625 . 0 0 "[ . 1 .]" 3
85 1 107 ALA H 1 117 GLN QE 1.800 . 6.000 5.380 4.915 5.631 . 0 0 "[ . 1 .]" 3
86 1 116 LEU H 1 117 GLN HE21 1.800 . 6.000 5.632 4.975 6.123 0.123 9 0 "[ . 1 .]" 3
87 1 116 LEU H 1 117 GLN HE22 1.800 . 6.000 6.119 6.025 6.233 0.233 14 0 "[ . 1 .]" 3
88 1 159 TYR H 1 160 SER H 1.800 . 4.000 2.317 2.238 2.388 . 0 0 "[ . 1 .]" 3
89 1 144 GLY H 1 145 GLY H 1.800 . 2.800 1.973 1.859 2.163 . 0 0 "[ . 1 .]" 3
90 1 54 GLY H 1 55 LEU H 1.800 . 4.000 4.051 3.925 4.108 0.108 14 0 "[ . 1 .]" 3
91 1 11 ALA H 1 12 GLY H 1.800 . 5.000 3.373 2.625 4.004 . 0 0 "[ . 1 .]" 3
92 1 10 ALA H 1 12 GLY H 1.800 . 5.000 4.875 4.344 5.085 0.085 3 0 "[ . 1 .]" 3
93 1 126 GLY H 1 127 SER H 1.800 . 5.000 4.293 4.186 4.360 . 0 0 "[ . 1 .]" 3
94 1 137 THR H 1 139 GLY H 1.800 . 4.500 4.510 4.191 4.643 0.143 13 0 "[ . 1 .]" 3
95 1 143 LEU H 1 145 GLY H 1.800 . 5.000 4.716 4.094 5.078 0.078 15 0 "[ . 1 .]" 3
96 1 145 GLY H 1 163 PHE H 1.800 . 5.000 4.713 3.743 5.095 0.095 14 0 "[ . 1 .]" 3
97 1 94 THR H 1 118 VAL H 1.800 . 5.000 4.676 4.066 5.024 0.024 1 0 "[ . 1 .]" 3
98 1 118 VAL H 1 119 GLY H 1.800 . 4.000 4.130 3.947 4.305 0.305 8 0 "[ . 1 .]" 3
99 1 148 ARG H 1 149 LEU H 1.800 . 3.300 2.920 1.830 3.439 0.139 11 0 "[ . 1 .]" 3
100 1 59 SER H 1 70 ALA H 1.800 . 5.000 4.655 4.132 5.035 0.035 6 0 "[ . 1 .]" 3
101 1 55 LEU H 1 161 THR H 1.800 . 5.000 4.394 3.894 4.592 . 0 0 "[ . 1 .]" 3
102 1 10 ALA H 1 11 ALA H 1.800 . 4.500 4.408 3.785 4.653 0.153 11 0 "[ . 1 .]" 3
103 1 10 ALA HA 1 11 ALA H 1.800 . 2.800 2.263 2.204 2.410 . 0 0 "[ . 1 .]" 3
104 1 11 ALA HA 1 12 GLY H 1.800 . 5.000 2.820 2.417 3.465 . 0 0 "[ . 1 .]" 3
105 1 13 ASP HA 1 14 ALA H 1.800 . 4.000 3.157 2.530 3.610 . 0 0 "[ . 1 .]" 3
106 1 95 VAL HA 1 96 PRO QD 1.800 . 2.800 2.079 2.042 2.146 . 0 0 "[ . 1 .]" 3
107 1 96 PRO HG3 1 99 THR MG 1.800 . 7.000 5.607 5.310 5.741 . 0 0 "[ . 1 .]" 3
108 1 96 PRO HG2 1 99 THR MG 1.800 . 6.000 4.676 4.364 4.893 . 0 0 "[ . 1 .]" 3
109 1 58 TRP HZ2 1 151 VAL MG1 1.800 . 7.000 4.394 3.969 4.947 . 0 0 "[ . 1 .]" 3
110 1 58 TRP HH2 1 151 VAL MG1 1.800 . 7.000 4.491 3.935 5.439 . 0 0 "[ . 1 .]" 3
111 1 178 HIS HA 1 180 VAL H 1.800 . 4.000 3.954 3.057 4.208 0.208 3 0 "[ . 1 .]" 3
112 1 178 HIS HB3 1 180 VAL H 1.800 . 5.000 4.390 3.432 4.917 . 0 0 "[ . 1 .]" 3
113 1 178 HIS HB2 1 180 VAL H 1.800 . 5.000 5.184 4.994 5.319 0.319 10 0 "[ . 1 .]" 3
114 1 180 VAL H 1 180 VAL HB 1.800 . 2.800 2.284 2.036 2.651 . 0 0 "[ . 1 .]" 3
115 1 179 LEU HB3 1 180 VAL H 1.800 . 4.000 2.835 2.540 3.743 . 0 0 "[ . 1 .]" 3
116 1 179 LEU HB2 1 180 VAL H 1.800 . 5.000 2.314 1.837 2.740 . 0 0 "[ . 1 .]" 3
117 1 179 LEU MD2 1 180 VAL H 1.800 . 4.800 4.081 3.856 4.198 . 0 0 "[ . 1 .]" 3
118 1 179 LEU MD1 1 180 VAL H 1.800 . 6.500 3.920 2.615 4.524 . 0 0 "[ . 1 .]" 3
119 1 178 HIS HA 1 178 HIS HE1 1.800 . 5.000 4.950 4.502 5.232 0.232 7 0 "[ . 1 .]" 3
120 1 178 HIS HB3 1 181 GLU HB3 1.800 . 5.000 3.603 3.117 4.231 . 0 0 "[ . 1 .]" 3
121 1 178 HIS HB2 1 181 GLU HB3 1.800 . 5.000 3.213 2.885 4.849 . 0 0 "[ . 1 .]" 3
122 1 84 LEU HB3 1 132 ALA MB 1.800 . 5.500 4.201 3.458 4.615 . 0 0 "[ . 1 .]" 3
123 1 84 LEU HB2 1 132 ALA MB 1.800 . 5.500 2.936 2.172 4.018 . 0 0 "[ . 1 .]" 3
124 1 154 LYS HA 1 155 LEU H 1.800 . 3.300 3.196 2.173 3.531 0.231 4 0 "[ . 1 .]" 3
125 1 154 LYS HB3 1 155 LEU H 1.800 . 5.000 4.282 3.779 4.654 . 0 0 "[ . 1 .]" 3
126 1 154 LYS HB2 1 155 LEU H 1.800 . 5.000 4.278 3.618 4.557 . 0 0 "[ . 1 .]" 3
127 1 154 LYS QG 1 155 LEU H 1.800 . 5.500 2.923 1.731 4.502 0.069 4 0 "[ . 1 .]" 3
128 1 155 LEU H 1 155 LEU QB 1.800 . 4.000 2.232 1.706 2.935 0.094 8 0 "[ . 1 .]" 3
129 1 154 LYS HD3 1 155 LEU H 1.800 . 5.500 4.512 1.952 5.557 0.057 14 0 "[ . 1 .]" 3
130 1 154 LYS HD2 1 155 LEU H 1.800 . 5.500 4.811 3.219 5.678 0.178 12 0 "[ . 1 .]" 3
131 1 140 ALA HA 1 141 LEU H 1.800 . 2.800 2.401 2.219 2.540 . 0 0 "[ . 1 .]" 3
132 1 141 LEU H 1 141 LEU HB3 1.800 . 2.800 2.703 2.537 2.806 0.006 3 0 "[ . 1 .]" 3
133 1 90 VAL H 1 90 VAL HB 1.800 . 4.000 2.567 2.179 3.228 . 0 0 "[ . 1 .]" 3
134 1 90 VAL H 1 90 VAL QG 1.800 . 4.300 2.434 2.040 3.152 . 0 0 "[ . 1 .]" 3
135 1 89 VAL QG 1 90 VAL H 1.800 . 6.500 2.928 2.115 3.300 . 0 0 "[ . 1 .]" 3
136 1 90 VAL H 1 91 LEU QD 1.800 . 6.500 3.673 2.899 4.654 . 0 0 "[ . 1 .]" 3
137 1 139 GLY HA3 1 140 ALA H 1.800 . 5.000 3.270 2.811 3.496 . 0 0 "[ . 1 .]" 3
138 1 139 GLY HA2 1 140 ALA H 1.800 . 5.000 3.277 3.038 3.592 . 0 0 "[ . 1 .]" 3
139 1 59 SER QB 1 140 ALA H 1.800 . 5.000 4.479 4.231 4.673 . 0 0 "[ . 1 .]" 3
140 1 138 ASP HA 1 140 ALA H 1.800 . 4.000 3.990 3.278 4.188 0.188 3 0 "[ . 1 .]" 3
141 1 140 ALA MB 1 142 TRP HD1 1.800 . 6.000 3.981 3.130 4.641 . 0 0 "[ . 1 .]" 3
142 1 28 HIS HE1 1 140 ALA MB 1.800 . 4.800 3.221 1.936 3.689 . 0 0 "[ . 1 .]" 3
143 1 28 HIS HD2 1 140 ALA MB 1.800 . 6.500 4.497 3.097 5.257 . 0 0 "[ . 1 .]" 3
144 1 36 LYS HA 1 37 ALA H 1.800 . 2.800 2.418 2.201 2.833 0.033 13 0 "[ . 1 .]" 3
145 1 37 ALA H 1 38 LEU QD 1.800 . 5.500 3.034 1.898 3.678 . 0 0 "[ . 1 .]" 3
146 1 36 LYS HA 1 37 ALA MB 1.800 . 6.500 4.029 3.717 4.472 . 0 0 "[ . 1 .]" 3
147 1 136 ASP HA 1 137 THR MG 1.800 . 5.500 3.611 2.949 4.288 . 0 0 "[ . 1 .]" 3
148 1 37 ALA HA 1 136 ASP HA 1.800 . 2.700 2.676 2.371 2.790 0.090 15 0 "[ . 1 .]" 3
149 1 93 SER HA 1 95 VAL H 1.800 . 4.000 3.977 3.839 4.061 0.061 14 0 "[ . 1 .]" 3
150 1 94 THR HA 1 95 VAL H 1.800 . 3.300 3.064 2.943 3.231 . 0 0 "[ . 1 .]" 3
151 1 95 VAL H 1 96 PRO QD 1.800 . 5.000 4.369 4.343 4.404 . 0 0 "[ . 1 .]" 3
152 1 95 VAL H 1 96 PRO HA 1.800 . 5.000 5.013 4.952 5.065 0.065 11 0 "[ . 1 .]" 3
153 1 95 VAL H 1 118 VAL HB 1.800 . 5.000 4.476 3.689 5.034 0.034 12 0 "[ . 1 .]" 3
154 1 95 VAL H 1 95 VAL HB 1.800 . 2.800 2.579 2.396 2.799 . 0 0 "[ . 1 .]" 3
155 1 94 THR MG 1 95 VAL H 1.800 . 6.500 3.873 2.931 4.442 . 0 0 "[ . 1 .]" 3
156 1 95 VAL H 1 95 VAL QG 1.800 . 4.300 2.785 2.251 3.176 . 0 0 "[ . 1 .]" 3
157 1 77 PHE QD 1 95 VAL H 1.800 . 6.500 3.165 2.410 4.456 . 0 0 "[ . 1 .]" 3
158 1 77 PHE QD 1 95 VAL HA 1.800 . 6.500 4.646 4.102 5.606 . 0 0 "[ . 1 .]" 3
159 1 77 PHE QE 1 95 VAL HA 1.800 . 7.000 3.678 2.903 4.608 . 0 0 "[ . 1 .]" 3
160 1 15 GLU HA 1 16 ALA H 1.800 . 2.800 2.488 2.198 2.754 . 0 0 "[ . 1 .]" 3
161 1 15 GLU QB 1 16 ALA H 1.800 . 6.000 3.622 2.088 4.057 . 0 0 "[ . 1 .]" 3
162 1 15 GLU HG3 1 16 ALA H 1.800 . 5.000 4.076 2.505 4.980 . 0 0 "[ . 1 .]" 3
163 1 15 GLU HG2 1 16 ALA H 1.800 . 5.000 4.177 3.063 4.700 . 0 0 "[ . 1 .]" 3
164 1 16 ALA HA 1 102 TRP HZ2 1.800 . 5.000 3.774 2.856 4.309 . 0 0 "[ . 1 .]" 3
165 1 16 ALA HA 1 102 TRP HH2 1.800 . 5.000 3.663 3.163 4.116 . 0 0 "[ . 1 .]" 3
166 1 15 GLU QG 1 16 ALA HA 1.800 . 5.000 3.741 3.541 3.887 . 0 0 "[ . 1 .]" 3
167 1 16 ALA MB 1 167 ILE H 1.800 . 6.500 4.339 3.805 4.927 . 0 0 "[ . 1 .]" 3
168 1 16 ALA MB 1 102 TRP HZ2 1.800 . 4.800 2.055 1.779 2.555 0.021 11 0 "[ . 1 .]" 3
169 1 16 ALA MB 1 102 TRP HH2 1.800 . 4.800 3.146 2.530 3.801 . 0 0 "[ . 1 .]" 3
170 1 16 ALA MB 1 166 CYS QB 1.800 . 5.800 2.946 2.230 3.469 . 0 0 "[ . 1 .]" 3
171 1 178 HIS HA 1 179 LEU H 1.800 . 4.000 2.351 2.135 2.855 . 0 0 "[ . 1 .]" 3
172 1 179 LEU H 1 179 LEU HB3 1.800 . 3.300 3.417 3.360 3.510 0.210 14 0 "[ . 1 .]" 3
173 1 179 LEU H 1 179 LEU MD1 1.800 . 7.000 2.555 1.762 3.897 0.038 14 0 "[ . 1 .]" 3
174 1 179 LEU H 1 179 LEU MD2 1.800 . 7.000 3.480 1.958 4.075 . 0 0 "[ . 1 .]" 3
175 1 121 GLU HA 1 122 ALA H 1.800 . 2.800 2.783 2.487 2.905 0.105 11 0 "[ . 1 .]" 3
176 1 122 ALA H 1 123 PRO QD 1.800 . 5.000 3.878 3.655 4.110 . 0 0 "[ . 1 .]" 3
177 1 121 GLU QG 1 122 ALA H 1.800 . 3.800 2.936 1.812 3.479 . 0 0 "[ . 1 .]" 3
178 1 122 ALA H 1 122 ALA MB 1.800 . 4.300 2.073 1.918 2.216 . 0 0 "[ . 1 .]" 3
179 1 122 ALA MB 1 123 PRO QD 1.800 . 4.800 3.243 3.024 3.375 . 0 0 "[ . 1 .]" 3
180 1 121 GLU QG 1 122 ALA MB 1.800 . 6.500 4.064 2.243 4.640 . 0 0 "[ . 1 .]" 3
181 1 122 ALA MB 1 123 PRO HA 1.800 . 5.500 4.513 4.449 4.571 . 0 0 "[ . 1 .]" 3
182 1 73 ILE HA 1 74 VAL H 1.800 . 2.800 2.214 2.179 2.251 . 0 0 "[ . 1 .]" 3
183 1 74 VAL H 1 74 VAL HB 1.800 . 3.300 3.279 3.021 3.551 0.251 11 0 "[ . 1 .]" 3
184 1 74 VAL H 1 74 VAL MG1 1.800 . 6.000 2.855 1.820 3.948 . 0 0 "[ . 1 .]" 3
185 1 74 VAL H 1 74 VAL MG2 1.800 . 6.000 3.021 1.938 3.883 . 0 0 "[ . 1 .]" 3
186 1 73 ILE MG 1 74 VAL H 1.800 . 6.000 2.428 1.993 2.726 . 0 0 "[ . 1 .]" 3
187 1 73 ILE MG 1 74 VAL HA 1.800 . 6.500 3.839 3.361 4.280 . 0 0 "[ . 1 .]" 3
188 1 74 VAL HA 1 74 VAL MG1 1.800 . 4.800 2.671 1.955 3.190 . 0 0 "[ . 1 .]" 3
189 1 74 VAL HA 1 74 VAL MG2 1.800 . 4.800 2.626 2.274 3.141 . 0 0 "[ . 1 .]" 3
190 1 74 VAL HA 1 158 ALA MB 1.800 . 5.500 3.497 3.150 3.824 . 0 0 "[ . 1 .]" 3
191 1 77 PHE HA 1 78 VAL H 1.800 . 3.300 2.308 2.211 2.481 . 0 0 "[ . 1 .]" 3
192 1 78 VAL H 1 93 SER QB 1.800 . 4.000 2.287 1.902 2.872 . 0 0 "[ . 1 .]" 3
193 1 77 PHE HB3 1 78 VAL H 1.800 . 4.000 3.161 2.678 3.858 . 0 0 "[ . 1 .]" 3
194 1 78 VAL H 1 78 VAL HB 1.800 . 3.300 2.988 2.037 3.424 0.124 15 0 "[ . 1 .]" 3
195 1 78 VAL H 1 78 VAL MG2 1.800 . 4.300 2.025 1.707 3.486 0.093 15 0 "[ . 1 .]" 3
196 1 78 VAL H 1 78 VAL MG1 1.800 . 6.000 3.490 2.901 3.716 . 0 0 "[ . 1 .]" 3
197 1 56 ILE QG 1 78 VAL HB 1.800 . 6.000 5.514 5.336 5.772 . 0 0 "[ . 1 .]" 3
198 1 194 ALA HA 1 195 LYS H 1.800 . 2.800 2.593 2.229 2.910 0.110 2 0 "[ . 1 .]" 3
199 1 193 SER QB 1 195 LYS H 1.800 . 5.000 4.227 3.264 4.560 . 0 0 "[ . 1 .]" 3
200 1 194 ALA MB 1 195 LYS HA 1.800 . 4.800 4.041 3.972 4.102 . 0 0 "[ . 1 .]" 3
201 1 194 ALA MB 1 195 LYS HB3 1.800 . 6.500 4.186 3.979 4.420 . 0 0 "[ . 1 .]" 3
202 1 194 ALA MB 1 195 LYS HB2 1.800 . 6.500 5.376 5.316 5.441 . 0 0 "[ . 1 .]" 3
203 1 83 ASP HA 1 87 LYS H 1.800 . 4.000 3.795 2.638 4.197 0.197 3 0 "[ . 1 .]" 3
204 1 87 LYS HA 1 87 LYS QB 1.800 . 2.800 2.312 2.188 2.428 . 0 0 "[ . 1 .]" 3
205 1 87 LYS HA 1 87 LYS QE 1.800 . 5.000 3.796 2.590 4.452 . 0 0 "[ . 1 .]" 3
206 1 86 SER QB 1 87 LYS QG 1.800 . 4.000 2.722 2.226 3.143 . 0 0 "[ . 1 .]" 3
207 1 85 GLY HA3 1 87 LYS QG 1.800 . 6.000 4.888 2.935 5.597 . 0 0 "[ . 1 .]" 3
208 1 107 ALA HA 1 117 GLN H 1.800 . 5.000 3.680 3.014 4.211 . 0 0 "[ . 1 .]" 3
209 1 116 LEU HA 1 117 GLN H 1.800 . 2.800 2.315 2.210 2.419 . 0 0 "[ . 1 .]" 3
210 1 105 ILE HA 1 117 GLN H 1.800 . 4.500 4.335 3.968 4.476 . 0 0 "[ . 1 .]" 3
211 1 106 LYS QB 1 117 GLN H 1.800 . 3.800 3.290 2.965 3.605 . 0 0 "[ . 1 .]" 3
212 1 107 ALA MB 1 117 GLN H 1.800 . 6.000 4.237 3.461 5.005 . 0 0 "[ . 1 .]" 3
213 1 116 LEU QB 1 117 GLN H 1.800 . 4.500 3.584 3.420 3.761 . 0 0 "[ . 1 .]" 3
214 1 105 ILE MG 1 117 GLN H 1.800 . 6.500 3.588 3.193 4.004 . 0 0 "[ . 1 .]" 3
215 1 116 LEU QD 1 117 GLN H 1.800 . 4.800 1.750 1.640 1.941 0.160 3 0 "[ . 1 .]" 3
216 1 117 GLN HA 1 117 GLN HG3 1.800 . 2.800 2.328 2.019 2.753 . 0 0 "[ . 1 .]" 3
217 1 117 GLN HA 1 117 GLN HG2 1.800 . 3.300 3.168 2.779 3.678 0.378 5 0 "[ . 1 .]" 3
218 1 106 LYS H 1 118 VAL HA 1.800 . 4.000 3.751 3.539 3.974 . 0 0 "[ . 1 .]" 3
219 1 105 ILE HA 1 106 LYS H 1.800 . 3.000 2.334 2.231 2.430 . 0 0 "[ . 1 .]" 3
220 1 106 LYS H 1 117 GLN QB 1.800 . 6.000 3.322 1.994 4.247 . 0 0 "[ . 1 .]" 3
221 1 106 LYS H 1 118 VAL HB 1.800 . 6.000 6.088 5.973 6.171 0.171 1 0 "[ . 1 .]" 3
222 1 106 LYS H 1 106 LYS QD 1.800 . 6.000 4.745 4.458 5.035 . 0 0 "[ . 1 .]" 3
223 1 105 ILE MG 1 106 LYS H 1.800 . 6.500 2.387 1.991 2.766 . 0 0 "[ . 1 .]" 3
224 1 106 LYS H 1 116 LEU QD 1.800 . 3.300 2.396 2.268 2.563 . 0 0 "[ . 1 .]" 3
225 1 106 LYS QB 1 107 ALA H 1.800 . 6.000 3.168 2.342 3.707 . 0 0 "[ . 1 .]" 3
226 1 106 LYS QB 1 117 GLN HA 1.800 . 6.000 4.587 3.977 5.415 . 0 0 "[ . 1 .]" 3
227 1 104 HIS HE1 1 105 ILE H 1.800 . 5.000 4.239 3.750 4.975 . 0 0 "[ . 1 .]" 3
228 1 104 HIS HA 1 105 ILE H 1.800 . 2.800 2.248 2.187 2.376 . 0 0 "[ . 1 .]" 3
229 1 104 HIS HB3 1 105 ILE H 1.800 . 4.500 4.032 3.716 4.345 . 0 0 "[ . 1 .]" 3
230 1 104 HIS HB2 1 105 ILE H 1.800 . 5.000 4.378 4.105 4.582 . 0 0 "[ . 1 .]" 3
231 1 105 ILE H 1 106 LYS QB 1.800 . 5.500 4.743 4.553 4.920 . 0 0 "[ . 1 .]" 3
232 1 105 ILE H 1 105 ILE HB 1.800 . 3.300 2.967 2.729 3.245 . 0 0 "[ . 1 .]" 3
233 1 105 ILE H 1 105 ILE MG 1.800 . 6.500 3.860 3.735 3.921 . 0 0 "[ . 1 .]" 3
234 1 105 ILE H 1 105 ILE MD 1.800 . 5.500 3.428 1.842 3.997 . 0 0 "[ . 1 .]" 3
235 1 45 LEU MD2 1 105 ILE H 1.800 . 6.500 4.062 3.783 4.445 . 0 0 "[ . 1 .]" 3
236 1 105 ILE HB 1 118 VAL HA 1.800 . 5.500 5.011 4.653 5.466 . 0 0 "[ . 1 .]" 3
237 1 45 LEU MD2 1 105 ILE HB 1.800 . 4.800 2.937 2.613 3.322 . 0 0 "[ . 1 .]" 3
238 1 23 THR HA 1 24 TYR H 1.800 . 2.800 2.338 2.203 2.530 . 0 0 "[ . 1 .]" 3
239 1 23 THR MG 1 24 TYR H 1.800 . 5.500 2.837 1.832 3.560 . 0 0 "[ . 1 .]" 3
240 1 24 TYR H 1 24 TYR QD 1.800 . 6.000 3.103 1.853 4.329 . 0 0 "[ . 1 .]" 3
241 1 24 TYR HA 1 24 TYR QD 1.800 . 4.800 3.169 1.723 3.706 0.077 13 0 "[ . 1 .]" 3
242 1 24 TYR HA 1 24 TYR QE 1.800 . 6.000 5.181 4.106 5.601 . 0 0 "[ . 1 .]" 3
243 1 24 TYR HA 1 142 TRP HE3 1.800 . 5.000 4.945 4.051 5.087 0.087 15 0 "[ . 1 .]" 3
244 1 193 SER HA 1 194 ALA H 1.800 . 3.300 2.355 2.205 2.479 . 0 0 "[ . 1 .]" 3
245 1 193 SER QB 1 194 ALA H 1.800 . 3.300 2.819 2.521 3.129 . 0 0 "[ . 1 .]" 3
246 1 194 ALA H 1 195 LYS QB 1.800 . 5.000 3.174 2.487 3.824 . 0 0 "[ . 1 .]" 3
247 1 81 MET HA 1 82 TYR H 1.800 . 3.300 2.272 2.202 2.313 . 0 0 "[ . 1 .]" 3
248 1 82 TYR H 1 89 VAL HB 1.800 . 3.300 3.453 3.368 3.543 0.243 2 0 "[ . 1 .]" 3
249 1 82 TYR H 1 91 LEU QD 1.800 . 6.500 4.482 4.125 4.844 . 0 0 "[ . 1 .]" 3
250 1 82 TYR HA 1 82 TYR QD 1.800 . 7.000 3.172 2.136 3.705 . 0 0 "[ . 1 .]" 3
251 1 68 TYR QE 1 82 TYR HA 1.800 . 8.000 6.603 4.455 7.634 . 0 0 "[ . 1 .]" 3
252 1 82 TYR HA 1 89 VAL H 1.800 . 7.000 4.337 4.108 4.779 . 0 0 "[ . 1 .]" 3
253 1 17 ILE HA 1 18 ALA H 1.800 . 2.800 2.211 2.165 2.318 . 0 0 "[ . 1 .]" 3
254 1 18 ALA H 1 191 HIS HA 1.800 . 4.000 2.765 2.146 3.256 . 0 0 "[ . 1 .]" 3
255 1 17 ILE MG 1 18 ALA H 1.800 . 4.800 2.760 2.409 3.053 . 0 0 "[ . 1 .]" 3
256 1 17 ILE MD 1 18 ALA H 1.800 . 5.500 3.881 3.582 4.424 . 0 0 "[ . 1 .]" 3
257 1 18 ALA H 1 190 LEU HB3 1.800 . 5.000 3.603 2.836 4.618 . 0 0 "[ . 1 .]" 3
258 1 17 ILE MG 1 18 ALA HA 1.800 . 6.500 4.367 4.161 4.575 . 0 0 "[ . 1 .]" 3
259 1 18 ALA HA 1 166 CYS HB2 1.800 . 4.500 4.371 4.130 4.558 0.058 3 0 "[ . 1 .]" 3
260 1 18 ALA HA 1 192 CYS QB 1.800 . 7.000 3.795 2.464 4.807 . 0 0 "[ . 1 .]" 3
261 1 18 ALA MB 1 191 HIS HA 1.800 . 6.500 3.767 3.227 4.261 . 0 0 "[ . 1 .]" 3
262 1 18 ALA MB 1 166 CYS HB2 1.800 . 6.500 4.921 4.529 5.261 . 0 0 "[ . 1 .]" 3
263 1 18 ALA MB 1 190 LEU QD 1.800 . 6.300 3.170 2.499 3.694 . 0 0 "[ . 1 .]" 3
264 1 57 LEU MD2 1 70 ALA HA 1.800 . 5.500 2.330 1.955 2.705 . 0 0 "[ . 1 .]" 3
265 1 70 ALA HA 1 71 LEU MD2 1.800 . 5.500 4.327 3.932 4.876 . 0 0 "[ . 1 .]" 3
266 1 70 ALA HA 1 71 LEU MD1 1.800 . 6.500 4.150 2.203 4.469 . 0 0 "[ . 1 .]" 3
267 1 70 ALA MB 1 149 LEU QD 1.800 . 8.000 4.595 3.401 4.880 . 0 0 "[ . 1 .]" 3
268 1 57 LEU MD2 1 70 ALA MB 1.800 . 8.000 3.675 3.391 3.933 . 0 0 "[ . 1 .]" 3
269 1 58 TRP HA 1 70 ALA MB 1.800 . 5.500 2.035 1.827 2.308 . 0 0 "[ . 1 .]" 3
270 1 70 ALA MB 1 159 TYR QE 1.800 . 6.300 3.196 2.550 4.002 . 0 0 "[ . 1 .]" 3
271 1 58 TRP HE3 1 70 ALA MB 1.800 . 6.500 1.972 1.725 2.389 0.075 5 0 "[ . 1 .]" 3
272 1 70 ALA MB 1 81 MET H 1.800 . 6.500 3.813 3.274 4.166 . 0 0 "[ . 1 .]" 3
273 1 69 ILE H 1 70 ALA MB 1.800 . 5.500 4.350 4.109 4.484 . 0 0 "[ . 1 .]" 3
274 1 57 LEU HA 1 58 TRP H 1.800 . 2.800 2.229 2.163 2.275 . 0 0 "[ . 1 .]" 3
275 1 58 TRP H 1 70 ALA HA 1.800 . 5.000 3.916 3.448 4.415 . 0 0 "[ . 1 .]" 3
276 1 58 TRP H 1 58 TRP HB3 1.800 . 4.000 2.743 2.649 2.833 . 0 0 "[ . 1 .]" 3
277 1 58 TRP H 1 58 TRP HB2 1.800 . 4.000 3.596 3.415 3.685 . 0 0 "[ . 1 .]" 3
278 1 58 TRP H 1 142 TRP HB2 1.800 . 5.000 3.049 2.756 3.401 . 0 0 "[ . 1 .]" 3
279 1 57 LEU QB 1 58 TRP H 1.800 . 4.000 3.529 3.415 3.692 . 0 0 "[ . 1 .]" 3
280 1 58 TRP H 1 141 LEU QD 1.800 . 6.400 2.914 2.360 3.695 . 0 0 "[ . 1 .]" 3
281 1 57 LEU MD2 1 58 TRP H 1.800 . 5.500 2.246 1.996 2.514 . 0 0 "[ . 1 .]" 3
282 1 57 LEU HG 1 58 TRP H 1.800 . 3.300 2.720 2.479 3.066 . 0 0 "[ . 1 .]" 3
283 1 58 TRP HA 1 58 TRP HE3 1.800 . 3.300 3.075 2.538 3.340 0.040 13 0 "[ . 1 .]" 3
284 1 141 LEU HA 1 142 TRP H 1.800 . 2.800 2.275 2.201 2.359 . 0 0 "[ . 1 .]" 3
285 1 142 TRP H 1 142 TRP HB3 1.800 . 4.000 3.772 3.648 3.849 . 0 0 "[ . 1 .]" 3
286 1 142 TRP H 1 142 TRP HB2 1.800 . 3.300 2.627 2.392 2.774 . 0 0 "[ . 1 .]" 3
287 1 141 LEU HB2 1 142 TRP H 1.800 . 4.000 3.902 3.700 4.045 0.045 11 0 "[ . 1 .]" 3
288 1 141 LEU HG 1 142 TRP H 1.800 . 4.000 2.597 2.172 3.136 . 0 0 "[ . 1 .]" 3
289 1 57 LEU QB 1 142 TRP H 1.800 . 6.000 5.496 5.399 5.638 . 0 0 "[ . 1 .]" 3
290 1 141 LEU QD 1 142 TRP H 1.800 . 4.800 2.144 1.788 2.929 0.012 10 0 "[ . 1 .]" 3
291 1 142 TRP HA 1 142 TRP HD1 1.800 . 4.500 3.806 3.447 4.306 . 0 0 "[ . 1 .]" 3
292 1 142 TRP HA 1 142 TRP HB3 1.800 . 2.800 2.468 2.413 2.567 . 0 0 "[ . 1 .]" 3
293 1 141 LEU HG 1 142 TRP HA 1.800 . 4.000 3.434 3.270 3.614 . 0 0 "[ . 1 .]" 3
294 1 142 TRP HB3 1 142 TRP HD1 1.800 . 4.000 3.866 3.797 3.897 . 0 0 "[ . 1 .]" 3
295 1 142 TRP HB2 1 142 TRP HD1 1.800 . 4.000 2.823 2.629 2.993 . 0 0 "[ . 1 .]" 3
296 1 188 THR HA 1 189 ILE H 1.800 . 3.300 2.445 2.195 3.323 0.023 15 0 "[ . 1 .]" 3
297 1 188 THR HB 1 189 ILE H 1.800 . 4.000 4.066 3.972 4.182 0.182 8 0 "[ . 1 .]" 3
298 1 189 ILE H 1 189 ILE HB 1.800 . 2.800 2.551 2.091 2.847 0.047 8 0 "[ . 1 .]" 3
299 1 189 ILE H 1 189 ILE QG 1.800 . 3.800 2.722 1.847 3.345 . 0 0 "[ . 1 .]" 3
300 1 188 THR MG 1 189 ILE H 1.800 . 4.800 2.961 1.871 3.950 . 0 0 "[ . 1 .]" 3
301 1 189 ILE H 1 189 ILE MG 1.800 . 5.500 3.789 3.441 3.951 . 0 0 "[ . 1 .]" 3
302 1 189 ILE H 1 189 ILE MD 1.800 . 5.500 3.546 2.542 4.206 . 0 0 "[ . 1 .]" 3
303 1 189 ILE HA 1 189 ILE MG 1.800 . 4.300 2.372 2.193 2.749 . 0 0 "[ . 1 .]" 3
304 1 189 ILE HA 1 189 ILE QG 1.800 . 4.300 2.551 2.145 3.077 . 0 0 "[ . 1 .]" 3
305 1 189 ILE HA 1 190 LEU HA 1.800 . 5.000 4.494 4.448 4.525 . 0 0 "[ . 1 .]" 3
306 1 180 VAL QG 1 189 ILE HB 1.800 . 6.500 4.733 4.282 4.860 . 0 0 "[ . 1 .]" 3
307 1 171 ILE HA 1 172 VAL H 1.800 . 2.800 2.255 2.200 2.300 . 0 0 "[ . 1 .]" 3
308 1 171 ILE HB 1 172 VAL H 1.800 . 3.300 3.416 3.358 3.510 0.210 4 0 "[ . 1 .]" 3
309 1 172 VAL H 1 172 VAL MG1 1.800 . 5.500 3.117 1.829 3.930 . 0 0 "[ . 1 .]" 3
310 1 171 ILE MG 1 172 VAL H 1.800 . 5.500 2.397 1.956 3.069 . 0 0 "[ . 1 .]" 3
311 1 43 PHE QD 1 172 VAL HA 1.800 . 6.000 3.450 2.281 4.250 . 0 0 "[ . 1 .]" 3
312 1 43 PHE QB 1 172 VAL HA 1.800 . 6.000 4.621 4.425 4.785 . 0 0 "[ . 1 .]" 3
313 1 43 PHE QD 1 172 VAL MG1 1.800 . 6.800 3.238 2.389 4.494 . 0 0 "[ . 1 .]" 3
314 1 43 PHE QD 1 172 VAL MG2 1.800 . 6.800 2.499 1.771 4.595 0.029 12 0 "[ . 1 .]" 3
315 1 43 PHE HA 1 172 VAL MG1 1.800 . 6.500 3.880 1.984 4.702 . 0 0 "[ . 1 .]" 3
316 1 43 PHE HA 1 172 VAL MG2 1.800 . 6.500 3.006 2.332 4.421 . 0 0 "[ . 1 .]" 3
317 1 57 LEU QD 1 172 VAL MG1 1.800 . 7.900 4.479 3.779 4.792 . 0 0 "[ . 1 .]" 3
318 1 57 LEU QD 1 172 VAL MG2 1.800 . 7.900 3.840 3.008 4.796 . 0 0 "[ . 1 .]" 3
319 1 163 PHE HA 1 164 ILE MD 1.800 . 6.500 4.699 3.260 5.389 . 0 0 "[ . 1 .]" 3
320 1 163 PHE HA 1 164 ILE H 1.800 . 2.800 2.197 2.122 2.301 . 0 0 "[ . 1 .]" 3
321 1 163 PHE HA 1 163 PHE QD 1.800 . 5.300 2.274 2.007 2.525 . 0 0 "[ . 1 .]" 3
322 1 163 PHE H 1 163 PHE QD 1.800 . 7.000 4.158 4.095 4.202 . 0 0 "[ . 1 .]" 3
323 1 21 GLY HA2 1 163 PHE H 1.800 . 4.000 3.414 3.037 4.099 0.099 14 0 "[ . 1 .]" 3
324 1 145 GLY HA2 1 163 PHE H 1.800 . 4.000 4.009 3.616 4.109 0.109 4 0 "[ . 1 .]" 3
325 1 163 PHE QD 1 164 ILE H 1.800 . 5.300 2.399 1.808 3.056 . 0 0 "[ . 1 .]" 3
326 1 54 GLY QA 1 164 ILE H 1.800 . 5.000 4.134 3.420 4.292 . 0 0 "[ . 1 .]" 3
327 1 164 ILE H 1 165 GLY QA 1.800 . 5.000 4.194 4.083 4.281 . 0 0 "[ . 1 .]" 3
328 1 163 PHE HB3 1 164 ILE H 1.800 . 4.000 4.044 3.944 4.129 0.129 4 0 "[ . 1 .]" 3
329 1 163 PHE HB2 1 164 ILE H 1.800 . 4.000 4.008 3.927 4.080 0.080 4 0 "[ . 1 .]" 3
330 1 164 ILE H 1 164 ILE HB 1.800 . 2.800 2.442 2.364 2.764 . 0 0 "[ . 1 .]" 3
331 1 51 ALA MB 1 164 ILE H 1.800 . 6.500 3.701 2.944 5.246 . 0 0 "[ . 1 .]" 3
332 1 164 ILE H 1 164 ILE QG 1.800 . 4.000 3.171 2.578 3.522 . 0 0 "[ . 1 .]" 3
333 1 50 GLU QG 1 164 ILE MG 1.800 . 6.500 3.069 2.419 4.732 . 0 0 "[ . 1 .]" 3
334 1 50 GLU QG 1 164 ILE MD 1.800 . 6.500 4.847 4.638 4.934 . 0 0 "[ . 1 .]" 3
335 1 20 ASP HA 1 164 ILE MG 1.800 . 6.000 3.354 1.813 4.234 . 0 0 "[ . 1 .]" 3
336 1 20 ASP HA 1 164 ILE MD 1.800 . 6.500 4.165 3.831 4.581 . 0 0 "[ . 1 .]" 3
337 1 21 GLY HA3 1 164 ILE MD 1.800 . 4.800 3.113 2.164 3.729 . 0 0 "[ . 1 .]" 3
338 1 21 GLY HA3 1 164 ILE MG 1.800 . 6.500 4.821 3.810 5.338 . 0 0 "[ . 1 .]" 3
339 1 21 GLY HA2 1 164 ILE MD 1.800 . 6.500 3.831 2.382 4.523 . 0 0 "[ . 1 .]" 3
340 1 164 ILE HA 1 164 ILE MG 1.800 . 4.300 2.531 2.192 2.730 . 0 0 "[ . 1 .]" 3
341 1 164 ILE HA 1 164 ILE MD 1.800 . 6.000 3.696 3.440 3.896 . 0 0 "[ . 1 .]" 3
342 1 164 ILE HB 1 164 ILE MD 1.800 . 4.300 2.275 1.979 2.495 . 0 0 "[ . 1 .]" 3
343 1 20 ASP HB2 1 164 ILE MD 1.800 . 6.500 5.183 4.820 5.528 . 0 0 "[ . 1 .]" 3
344 1 21 GLY HA3 1 164 ILE HA 1.800 . 5.000 4.527 4.229 4.885 . 0 0 "[ . 1 .]" 3
345 1 20 ASP HB3 1 164 ILE QG 1.800 . 6.000 4.977 4.678 5.169 . 0 0 "[ . 1 .]" 3
346 1 89 VAL HA 1 89 VAL MG2 1.800 . 4.800 2.074 1.956 2.189 . 0 0 "[ . 1 .]" 3
347 1 89 VAL HA 1 89 VAL MG1 1.800 . 5.500 3.110 3.085 3.137 . 0 0 "[ . 1 .]" 3
348 1 88 PRO HA 1 89 VAL HB 1.800 . 5.000 4.052 3.824 4.341 . 0 0 "[ . 1 .]" 3
349 1 89 VAL MG2 1 127 SER HA 1.800 . 6.500 2.797 2.348 3.254 . 0 0 "[ . 1 .]" 3
350 1 89 VAL MG2 1 114 GLY QA 1.800 . 6.500 4.499 4.322 4.580 . 0 0 "[ . 1 .]" 3
351 1 88 PRO HA 1 89 VAL MG2 1.800 . 6.500 5.121 4.956 5.382 . 0 0 "[ . 1 .]" 3
352 1 89 VAL MG2 1 127 SER HB3 1.800 . 6.500 4.637 4.268 4.959 . 0 0 "[ . 1 .]" 3
353 1 82 TYR QE 1 89 VAL MG1 1.800 . 7.000 3.392 1.925 5.198 . 0 0 "[ . 1 .]" 3
354 1 82 TYR QD 1 89 VAL MG1 1.800 . 6.000 2.846 1.882 3.537 . 0 0 "[ . 1 .]" 3
355 1 89 VAL MG1 1 127 SER HA 1.800 . 6.500 3.791 3.503 4.368 . 0 0 "[ . 1 .]" 3
356 1 89 VAL MG1 1 125 THR HA 1.800 . 6.500 5.225 4.998 5.383 . 0 0 "[ . 1 .]" 3
357 1 88 PRO HA 1 89 VAL MG1 1.800 . 6.500 4.558 4.447 4.622 . 0 0 "[ . 1 .]" 3
358 1 89 VAL MG1 1 114 GLY QA 1.800 . 6.000 3.193 2.941 3.346 . 0 0 "[ . 1 .]" 3
359 1 124 ILE H 1 124 ILE HB 1.800 . 2.800 2.250 2.046 2.571 . 0 0 "[ . 1 .]" 3
360 1 116 LEU QB 1 124 ILE H 1.800 . 3.300 2.710 2.483 2.930 . 0 0 "[ . 1 .]" 3
361 1 124 ILE H 1 124 ILE MD 1.800 . 4.500 2.420 1.748 3.568 0.052 12 0 "[ . 1 .]" 3
362 1 116 LEU MD2 1 124 ILE H 1.800 . 6.500 5.135 4.960 5.275 . 0 0 "[ . 1 .]" 3
363 1 116 LEU H 1 124 ILE HB 1.800 . 5.000 3.824 3.372 4.185 . 0 0 "[ . 1 .]" 3
364 1 124 ILE H 1 124 ILE MG 1.800 . 5.500 3.519 2.748 3.741 . 0 0 "[ . 1 .]" 3
365 1 116 LEU H 1 124 ILE MG 1.800 . 6.500 4.117 2.160 4.808 . 0 0 "[ . 1 .]" 3
366 1 116 LEU H 1 124 ILE MD 1.800 . 6.500 4.563 3.434 5.371 . 0 0 "[ . 1 .]" 3
367 1 124 ILE HA 1 124 ILE MG 1.800 . 4.800 2.544 2.209 3.125 . 0 0 "[ . 1 .]" 3
368 1 124 ILE HA 1 124 ILE MD 1.800 . 4.800 3.044 2.125 3.709 . 0 0 "[ . 1 .]" 3
369 1 93 SER HA 1 124 ILE MG 1.800 . 4.800 3.925 3.753 3.993 . 0 0 "[ . 1 .]" 3
370 1 93 SER HA 1 124 ILE MD 1.800 . 4.300 2.333 1.705 3.340 0.095 12 0 "[ . 1 .]" 3
371 1 116 LEU HG 1 124 ILE MG 1.800 . 6.500 4.384 2.991 4.930 . 0 0 "[ . 1 .]" 3
372 1 115 SER HA 1 116 LEU H 1.800 . 2.800 2.380 2.319 2.468 . 0 0 "[ . 1 .]" 3
373 1 116 LEU H 1 123 PRO HA 1.800 . 5.000 3.810 3.271 4.288 . 0 0 "[ . 1 .]" 3
374 1 115 SER HB2 1 116 LEU H 1.800 . 4.500 3.963 3.567 4.294 . 0 0 "[ . 1 .]" 3
375 1 116 LEU H 1 117 GLN QB 1.800 . 5.500 4.816 4.219 5.254 . 0 0 "[ . 1 .]" 3
376 1 116 LEU H 1 116 LEU QB 1.800 . 5.000 2.504 2.330 2.621 . 0 0 "[ . 1 .]" 3
377 1 116 LEU H 1 125 THR MG 1.800 . 5.500 2.865 2.312 3.525 . 0 0 "[ . 1 .]" 3
378 1 116 LEU H 1 116 LEU MD1 1.800 . 4.800 3.970 3.873 4.048 . 0 0 "[ . 1 .]" 3
379 1 116 LEU H 1 116 LEU MD2 1.800 . 4.800 3.981 3.892 4.058 . 0 0 "[ . 1 .]" 3
380 1 108 TYR QE 1 116 LEU HA 1.800 . 7.000 5.316 4.178 6.395 . 0 0 "[ . 1 .]" 3
381 1 108 TYR QD 1 116 LEU HA 1.800 . 7.000 4.946 4.221 5.855 . 0 0 "[ . 1 .]" 3
382 1 116 LEU HA 1 116 LEU MD2 1.800 . 4.300 1.776 1.712 1.859 0.088 4 0 "[ . 1 .]" 3
383 1 103 THR HA 1 104 HIS H 1.800 . 2.800 2.465 2.261 2.554 . 0 0 "[ . 1 .]" 3
384 1 103 THR HB 1 104 HIS H 1.800 . 5.000 3.762 3.585 4.142 . 0 0 "[ . 1 .]" 3
385 1 104 HIS H 1 104 HIS HB3 1.800 . 3.300 2.666 2.465 2.803 . 0 0 "[ . 1 .]" 3
386 1 104 HIS H 1 104 HIS HB2 1.800 . 3.300 2.782 2.461 2.948 . 0 0 "[ . 1 .]" 3
387 1 104 HIS H 1 105 ILE HG13 1.800 . 5.000 4.468 3.585 4.902 . 0 0 "[ . 1 .]" 3
388 1 103 THR MG 1 104 HIS H 1.800 . 4.300 1.851 1.726 2.237 0.074 12 0 "[ . 1 .]" 3
389 1 104 HIS H 1 105 ILE MG 1.800 . 6.500 5.394 5.288 5.504 . 0 0 "[ . 1 .]" 3
390 1 104 HIS H 1 118 VAL MG1 1.800 . 5.500 3.998 3.336 4.522 . 0 0 "[ . 1 .]" 3
391 1 75 ASP H 1 75 ASP HA 1.800 . 2.800 2.363 2.354 2.372 . 0 0 "[ . 1 .]" 3
392 1 74 VAL HA 1 75 ASP H 1.800 . 2.800 2.234 2.198 2.286 . 0 0 "[ . 1 .]" 3
393 1 52 THR HB 1 75 ASP H 1.800 . 5.000 3.615 2.863 4.432 . 0 0 "[ . 1 .]" 3
394 1 74 VAL MG1 1 75 ASP H 1.800 . 5.500 3.601 2.724 4.157 . 0 0 "[ . 1 .]" 3
395 1 74 VAL MG2 1 75 ASP H 1.800 . 6.000 3.367 2.094 4.482 . 0 0 "[ . 1 .]" 3
396 1 73 ILE MG 1 75 ASP H 1.800 . 6.500 4.531 4.091 5.191 . 0 0 "[ . 1 .]" 3
397 1 50 GLU HA 1 51 ALA H 1.800 . 3.300 3.304 3.000 3.468 0.168 4 0 "[ . 1 .]" 3
398 1 49 THR HA 1 51 ALA H 1.800 . 5.000 4.063 3.686 5.282 0.282 4 0 "[ . 1 .]" 3
399 1 49 THR HB 1 51 ALA H 1.800 . 3.300 3.297 3.098 3.551 0.251 14 0 "[ . 1 .]" 3
400 1 49 THR MG 1 51 ALA H 1.800 . 4.800 3.288 2.547 3.926 . 0 0 "[ . 1 .]" 3
401 1 51 ALA MB 1 73 ILE MG 1.800 . 8.000 4.303 1.834 5.483 . 0 0 "[ . 1 .]" 3
402 1 51 ALA MB 1 73 ILE MD 1.800 . 7.300 3.921 1.790 4.793 0.010 4 0 "[ . 1 .]" 3
403 1 51 ALA MB 1 163 PHE QD 1.800 . 7.000 4.015 2.744 5.345 . 0 0 "[ . 1 .]" 3
404 1 172 VAL HA 1 173 ASP H 1.800 . 2.800 2.280 2.214 2.374 . 0 0 "[ . 1 .]" 3
405 1 172 VAL QG 1 173 ASP H 1.800 . 6.500 3.128 2.851 3.673 . 0 0 "[ . 1 .]" 3
406 1 173 ASP H 1 174 ARG QD 1.800 . 6.000 5.060 4.525 5.448 . 0 0 "[ . 1 .]" 3
407 1 170 VAL HA 1 171 ILE H 1.800 . 2.800 2.201 2.178 2.240 . 0 0 "[ . 1 .]" 3
408 1 44 GLU QG 1 171 ILE H 1.800 . 5.000 4.570 4.462 4.642 . 0 0 "[ . 1 .]" 3
409 1 44 GLU HB3 1 171 ILE H 1.800 . 5.000 4.046 3.612 4.401 . 0 0 "[ . 1 .]" 3
410 1 44 GLU HB2 1 171 ILE H 1.800 . 5.000 2.690 2.589 2.855 . 0 0 "[ . 1 .]" 3
411 1 171 ILE H 1 171 ILE QG 1.800 . 3.300 2.269 2.067 2.521 . 0 0 "[ . 1 .]" 3
412 1 170 VAL QG 1 171 ILE H 1.800 . 4.800 3.577 3.543 3.608 . 0 0 "[ . 1 .]" 3
413 1 171 ILE H 1 171 ILE MG 1.800 . 5.500 3.892 3.776 3.961 . 0 0 "[ . 1 .]" 3
414 1 171 ILE H 1 171 ILE MD 1.800 . 6.500 3.451 2.515 3.898 . 0 0 "[ . 1 .]" 3
415 1 171 ILE HA 1 171 ILE MG 1.800 . 4.300 2.131 1.917 2.241 . 0 0 "[ . 1 .]" 3
416 1 44 GLU HB2 1 171 ILE HB 1.800 . 5.000 3.047 2.645 3.488 . 0 0 "[ . 1 .]" 3
417 1 171 ILE HB 1 171 ILE MD 1.800 . 4.800 2.251 1.939 2.562 . 0 0 "[ . 1 .]" 3
418 1 44 GLU HA 1 171 ILE MD 1.800 . 7.000 5.310 4.356 5.778 . 0 0 "[ . 1 .]" 3
419 1 171 ILE MD 1 174 ARG HA 1.800 . 5.500 4.148 3.525 4.545 . 0 0 "[ . 1 .]" 3
420 1 48 LYS QD 1 102 TRP HE1 1.800 . 5.000 2.870 2.375 3.530 . 0 0 "[ . 1 .]" 3
421 1 106 LYS HA 1 107 ALA H 1.800 . 2.800 2.395 2.217 2.631 . 0 0 "[ . 1 .]" 3
422 1 43 PHE QB 1 107 ALA H 1.800 . 6.000 2.890 2.423 3.271 . 0 0 "[ . 1 .]" 3
423 1 44 GLU HG3 1 107 ALA H 1.800 . 5.000 3.905 3.513 4.179 . 0 0 "[ . 1 .]" 3
424 1 44 GLU HG2 1 107 ALA H 1.800 . 5.000 4.866 4.342 5.057 0.057 2 0 "[ . 1 .]" 3
425 1 106 LYS QG 1 107 ALA H 1.800 . 4.300 2.922 1.858 3.772 . 0 0 "[ . 1 .]" 3
426 1 106 LYS QD 1 107 ALA H 1.800 . 5.000 2.542 1.900 3.207 . 0 0 "[ . 1 .]" 3
427 1 45 LEU MD2 1 107 ALA H 1.800 . 7.500 4.378 3.833 4.742 . 0 0 "[ . 1 .]" 3
428 1 107 ALA HA 1 108 TYR QD 1.800 . 7.000 3.875 2.956 4.603 . 0 0 "[ . 1 .]" 3
429 1 43 PHE QB 1 107 ALA HA 1.800 . 5.000 4.255 4.136 4.442 . 0 0 "[ . 1 .]" 3
430 1 107 ALA HA 1 116 LEU MD2 1.800 . 4.800 2.541 1.828 3.367 . 0 0 "[ . 1 .]" 3
431 1 43 PHE QB 1 107 ALA MB 1.800 . 5.800 1.879 1.723 2.121 0.077 7 0 "[ . 1 .]" 3
432 1 107 ALA MB 1 116 LEU MD2 1.800 . 5.800 2.043 1.748 2.637 0.052 15 0 "[ . 1 .]" 3
433 1 43 PHE QD 1 107 ALA MB 1.800 . 6.800 2.455 1.833 3.680 . 0 0 "[ . 1 .]" 3
434 1 106 LYS HA 1 107 ALA MB 1.800 . 6.500 3.675 3.510 3.896 . 0 0 "[ . 1 .]" 3
435 1 43 PHE HA 1 107 ALA MB 1.800 . 6.500 4.495 4.235 4.696 . 0 0 "[ . 1 .]" 3
436 1 71 LEU MD2 1 107 ALA MB 1.800 . 5.800 3.101 2.731 3.541 . 0 0 "[ . 1 .]" 3
437 1 57 LEU MD1 1 107 ALA MB 1.800 . 8.000 5.225 4.863 5.524 . 0 0 "[ . 1 .]" 3
438 1 190 LEU H 1 191 HIS HA 1.800 . 5.000 5.030 4.884 5.153 0.153 9 0 "[ . 1 .]" 3
439 1 189 ILE HA 1 190 LEU H 1.800 . 2.800 2.254 2.204 2.368 . 0 0 "[ . 1 .]" 3
440 1 190 LEU H 1 190 LEU HB2 1.800 . 4.000 2.307 2.053 2.821 . 0 0 "[ . 1 .]" 3
441 1 189 ILE HB 1 190 LEU H 1.800 . 5.000 4.281 3.765 4.626 . 0 0 "[ . 1 .]" 3
442 1 190 LEU H 1 190 LEU HG 1.800 . 3.300 3.304 2.996 3.654 0.354 4 0 "[ . 1 .]" 3
443 1 190 LEU H 1 190 LEU QD 1.800 . 5.500 3.119 1.685 3.623 0.115 2 0 "[ . 1 .]" 3
444 1 189 ILE MD 1 190 LEU H 1.800 . 6.500 4.466 3.083 5.467 . 0 0 "[ . 1 .]" 3
445 1 17 ILE MD 1 190 LEU H 1.800 . 5.500 4.347 4.095 4.466 . 0 0 "[ . 1 .]" 3
446 1 190 LEU HA 1 190 LEU QD 1.800 . 4.300 2.283 1.850 2.776 . 0 0 "[ . 1 .]" 3
447 1 190 LEU HA 1 190 LEU HB3 1.800 . 2.800 2.593 2.309 2.681 . 0 0 "[ . 1 .]" 3
448 1 190 LEU HA 1 190 LEU HB2 1.800 . 2.800 2.975 2.965 2.994 0.194 7 0 "[ . 1 .]" 3
449 1 18 ALA MB 1 190 LEU HB3 1.800 . 5.500 2.632 1.846 3.501 . 0 0 "[ . 1 .]" 3
450 1 18 ALA MB 1 190 LEU HB2 1.800 . 5.500 2.980 2.153 4.011 . 0 0 "[ . 1 .]" 3
451 1 43 PHE H 1 43 PHE QD 1.800 . 7.000 3.178 2.322 3.659 . 0 0 "[ . 1 .]" 3
452 1 42 HIS HA 1 43 PHE H 1.800 . 2.800 2.234 2.181 2.297 . 0 0 "[ . 1 .]" 3
453 1 43 PHE H 1 43 PHE QB 1.800 . 3.800 2.428 2.180 2.588 . 0 0 "[ . 1 .]" 3
454 1 43 PHE H 1 107 ALA MB 1.800 . 6.500 3.303 3.011 3.718 . 0 0 "[ . 1 .]" 3
455 1 43 PHE HA 1 43 PHE QD 1.800 . 4.800 2.426 1.836 3.074 . 0 0 "[ . 1 .]" 3
456 1 43 PHE HA 1 106 LYS QD 1.800 . 7.000 5.081 4.614 5.563 . 0 0 "[ . 1 .]" 3
457 1 43 PHE HA 1 172 VAL QG 1.800 . 5.500 2.742 1.982 3.376 . 0 0 "[ . 1 .]" 3
458 1 43 PHE QB 1 106 LYS QD 1.800 . 6.000 4.437 3.863 4.850 . 0 0 "[ . 1 .]" 3
459 1 43 PHE QB 1 172 VAL QG 1.800 . 6.500 3.669 3.185 4.151 . 0 0 "[ . 1 .]" 3
460 1 16 ALA HA 1 17 ILE H 1.800 . 2.800 2.321 2.215 2.474 . 0 0 "[ . 1 .]" 3
461 1 17 ILE H 1 17 ILE HB 1.800 . 3.300 2.701 2.493 3.015 . 0 0 "[ . 1 .]" 3
462 1 17 ILE HA 1 17 ILE MG 1.800 . 4.800 2.237 2.135 2.419 . 0 0 "[ . 1 .]" 3
463 1 17 ILE MD 1 191 HIS HE1 1.800 . 4.800 2.535 1.908 3.449 . 0 0 "[ . 1 .]" 3
464 1 17 ILE MG 1 189 ILE HA 1.800 . 4.800 3.776 3.122 4.136 . 0 0 "[ . 1 .]" 3
465 1 17 ILE MG 1 191 HIS HE1 1.800 . 5.500 4.319 3.922 4.481 . 0 0 "[ . 1 .]" 3
466 1 157 LYS HA 1 158 ALA H 1.800 . 5.000 3.488 3.409 3.649 . 0 0 "[ . 1 .]" 3
467 1 158 ALA HA 1 161 THR HA 1.800 . 6.000 5.943 5.651 6.059 0.059 11 0 "[ . 1 .]" 3
468 1 53 GLN HA 1 158 ALA HA 1.800 . 5.000 3.611 3.176 4.191 . 0 0 "[ . 1 .]" 3
469 1 158 ALA HA 1 161 THR HB 1.800 . 3.300 3.242 2.752 3.361 0.061 6 0 "[ . 1 .]" 3
470 1 53 GLN HB2 1 158 ALA HA 1.800 . 4.500 4.410 4.027 4.656 0.156 6 0 "[ . 1 .]" 3
471 1 53 GLN QG 1 158 ALA HA 1.800 . 3.300 1.907 1.733 2.284 0.067 1 0 "[ . 1 .]" 3
472 1 158 ALA HA 1 161 THR MG 1.800 . 4.800 3.857 3.774 4.000 . 0 0 "[ . 1 .]" 3
473 1 72 ALA MB 1 158 ALA HA 1.800 . 6.000 4.745 4.315 4.947 . 0 0 "[ . 1 .]" 3
474 1 72 ALA MB 1 158 ALA MB 1.800 . 5.800 2.675 2.137 2.957 . 0 0 "[ . 1 .]" 3
475 1 158 ALA MB 1 161 THR HB 1.800 . 6.500 4.712 4.345 4.825 . 0 0 "[ . 1 .]" 3
476 1 53 GLN HA 1 158 ALA MB 1.800 . 5.500 3.305 2.709 3.974 . 0 0 "[ . 1 .]" 3
477 1 158 ALA MB 1 159 TYR QD 1.800 . 8.500 2.301 1.861 3.721 . 0 0 "[ . 1 .]" 3
478 1 73 ILE MG 1 158 ALA MB 1.800 . 8.000 4.979 4.397 5.397 . 0 0 "[ . 1 .]" 3
479 1 119 GLY QA 1 120 ASN HA 1.800 . 5.000 4.495 4.245 4.553 . 0 0 "[ . 1 .]" 3
480 1 48 LYS HA 1 49 THR H 1.800 . 2.800 2.409 2.327 2.446 . 0 0 "[ . 1 .]" 3
481 1 49 THR H 1 98 ASN HA 1.800 . 4.500 4.301 4.085 4.520 0.020 15 0 "[ . 1 .]" 3
482 1 49 THR H 1 100 ASN HA 1.800 . 4.500 3.676 1.878 4.464 . 0 0 "[ . 1 .]" 3
483 1 48 LYS HG3 1 49 THR H 1.800 . 5.000 4.119 2.750 4.688 . 0 0 "[ . 1 .]" 3
484 1 48 LYS HG2 1 49 THR H 1.800 . 5.000 4.570 3.316 5.127 0.127 7 0 "[ . 1 .]" 3
485 1 48 LYS HB2 1 49 THR H 1.800 . 5.000 4.645 4.376 4.730 . 0 0 "[ . 1 .]" 3
486 1 49 THR HA 1 163 PHE QE 1.800 . 7.000 2.891 1.748 6.086 0.052 7 0 "[ . 1 .]" 3
487 1 49 THR HB 1 163 PHE QE 1.800 . 6.000 3.754 2.811 5.388 . 0 0 "[ . 1 .]" 3
488 1 47 ILE MD 1 49 THR HB 1.800 . 6.500 4.514 3.465 5.084 . 0 0 "[ . 1 .]" 3
489 1 153 HIS H 1 153 HIS HD2 1.800 . 4.000 3.224 2.088 4.006 0.006 1 0 "[ . 1 .]" 3
490 1 151 VAL HA 1 153 HIS H 1.800 . 4.000 3.655 3.130 4.067 0.067 5 0 "[ . 1 .]" 3
491 1 152 ALA MB 1 153 HIS H 1.800 . 4.800 3.064 1.786 3.704 0.014 2 0 "[ . 1 .]" 3
492 1 151 VAL MG1 1 153 HIS H 1.800 . 5.500 4.077 3.606 4.447 . 0 0 "[ . 1 .]" 3
493 1 151 VAL MG2 1 153 HIS H 1.800 . 5.500 3.151 1.762 4.463 0.038 3 0 "[ . 1 .]" 3
494 1 48 LYS H 1 163 PHE HZ 1.800 . 4.000 3.033 2.635 3.348 . 0 0 "[ . 1 .]" 3
495 1 47 ILE HA 1 48 LYS H 1.800 . 2.800 2.408 2.226 2.633 . 0 0 "[ . 1 .]" 3
496 1 48 LYS H 1 48 LYS HA 1.800 . 2.800 2.956 2.898 2.974 0.174 5 0 "[ . 1 .]" 3
497 1 48 LYS H 1 166 CYS HB2 1.800 . 4.000 3.442 3.173 3.686 . 0 0 "[ . 1 .]" 3
498 1 47 ILE HB 1 48 LYS H 1.800 . 2.800 2.533 2.107 2.840 0.040 8 0 "[ . 1 .]" 3
499 1 48 LYS H 1 167 ILE QG 1.800 . 5.000 3.187 2.960 3.431 . 0 0 "[ . 1 .]" 3
500 1 47 ILE MG 1 48 LYS H 1.800 . 4.800 3.923 3.717 4.064 . 0 0 "[ . 1 .]" 3
501 1 47 ILE MD 1 48 LYS H 1.800 . 6.500 3.911 1.907 4.546 . 0 0 "[ . 1 .]" 3
502 1 48 LYS H 1 48 LYS HB3 1.800 . 4.000 2.979 2.833 3.107 . 0 0 "[ . 1 .]" 3
503 1 48 LYS H 1 48 LYS QG 1.800 . 5.000 4.018 3.868 4.158 . 0 0 "[ . 1 .]" 3
504 1 48 LYS HA 1 48 LYS HG3 1.800 . 3.300 2.139 1.899 2.848 . 0 0 "[ . 1 .]" 3
505 1 48 LYS HA 1 48 LYS HG2 1.800 . 3.300 3.106 2.822 3.326 0.026 14 0 "[ . 1 .]" 3
506 1 47 ILE QG 1 48 LYS HA 1.800 . 4.000 3.481 3.183 3.642 . 0 0 "[ . 1 .]" 3
507 1 48 LYS HA 1 163 PHE HZ 1.800 . 5.000 4.757 4.524 5.140 0.140 14 0 "[ . 1 .]" 3
508 1 48 LYS QE 1 48 LYS HG3 1.800 . 5.000 2.418 1.944 3.113 . 0 0 "[ . 1 .]" 3
509 1 48 LYS QG 1 101 HIS HA 1.800 . 5.000 3.131 2.364 3.546 . 0 0 "[ . 1 .]" 3
510 1 48 LYS HA 1 48 LYS QD 1.800 . 5.000 3.574 3.028 4.143 . 0 0 "[ . 1 .]" 3
511 1 48 LYS QD 1 102 TRP HZ2 1.800 . 5.000 2.997 2.731 3.335 . 0 0 "[ . 1 .]" 3
512 1 48 LYS QD 1 102 TRP HH2 1.800 . 6.000 4.086 3.824 4.432 . 0 0 "[ . 1 .]" 3
513 1 48 LYS QD 1 102 TRP HA 1.800 . 6.000 3.584 2.615 4.224 . 0 0 "[ . 1 .]" 3
514 1 48 LYS QD 1 102 TRP QB 1.800 . 6.000 4.277 3.644 4.729 . 0 0 "[ . 1 .]" 3
515 1 48 LYS HB2 1 48 LYS HE3 1.800 . 5.000 4.152 3.284 4.540 . 0 0 "[ . 1 .]" 3
516 1 48 LYS HB2 1 48 LYS HE2 1.800 . 5.000 4.186 3.704 4.506 . 0 0 "[ . 1 .]" 3
517 1 48 LYS HA 1 48 LYS HE3 1.800 . 5.000 5.086 5.039 5.162 0.162 1 0 "[ . 1 .]" 3
518 1 48 LYS HA 1 48 LYS HE2 1.800 . 5.000 4.568 3.797 5.140 0.140 7 0 "[ . 1 .]" 3
519 1 48 LYS HE3 1 102 TRP HZ2 1.800 . 5.000 4.683 4.167 5.092 0.092 3 0 "[ . 1 .]" 3
520 1 48 LYS HE2 1 102 TRP HZ2 1.800 . 5.500 5.327 4.331 5.672 0.172 9 0 "[ . 1 .]" 3
521 1 48 LYS HE3 1 194 ALA MB 1.800 . 6.500 4.380 2.918 5.373 . 0 0 "[ . 1 .]" 3
522 1 48 LYS HE2 1 194 ALA MB 1.800 . 6.500 4.699 3.623 5.445 . 0 0 "[ . 1 .]" 3
523 1 19 PHE HA 1 20 ASP H 1.800 . 2.800 2.435 2.232 2.610 . 0 0 "[ . 1 .]" 3
524 1 19 PHE HB3 1 20 ASP H 1.800 . 4.000 2.714 2.338 3.379 . 0 0 "[ . 1 .]" 3
525 1 20 ASP HB3 1 190 LEU QD 1.800 . 7.400 3.811 3.334 4.171 . 0 0 "[ . 1 .]" 3
526 1 20 ASP HB2 1 190 LEU QD 1.800 . 7.400 4.936 4.449 5.271 . 0 0 "[ . 1 .]" 3
527 1 40 SER HA 1 111 GLN H 1.800 . 4.000 3.357 2.466 3.966 . 0 0 "[ . 1 .]" 3
528 1 110 VAL HB 1 111 GLN H 1.800 . 5.000 4.293 3.623 4.520 . 0 0 "[ . 1 .]" 3
529 1 111 GLN H 1 111 GLN QB 1.800 . 3.800 3.048 2.165 3.323 . 0 0 "[ . 1 .]" 3
530 1 92 ARG HA 1 92 ARG HB2 1.800 . 2.800 2.984 2.964 2.993 0.193 7 0 "[ . 1 .]" 3
531 1 91 LEU HB3 1 92 ARG H 1.800 . 5.000 4.285 4.075 4.359 . 0 0 "[ . 1 .]" 3
532 1 91 LEU HB2 1 92 ARG H 1.800 . 4.000 4.331 4.277 4.406 0.406 13 0 "[ . 1 .]" 3
533 1 92 ARG HA 1 92 ARG QD 1.800 . 5.000 3.946 3.101 4.325 . 0 0 "[ . 1 .]" 3
534 1 92 ARG HA 1 92 ARG QG 1.800 . 5.000 2.478 2.298 2.618 . 0 0 "[ . 1 .]" 3
535 1 90 VAL QG 1 92 ARG HA 1.800 . 4.800 3.468 3.205 3.721 . 0 0 "[ . 1 .]" 3
536 1 90 VAL QG 1 92 ARG HB3 1.800 . 6.500 4.026 3.635 4.360 . 0 0 "[ . 1 .]" 3
537 1 90 VAL QG 1 92 ARG HB2 1.800 . 6.500 3.879 3.640 4.281 . 0 0 "[ . 1 .]" 3
538 1 75 ASP OD1 1 92 ARG NH1 1.800 . 4.000 2.793 2.401 3.143 . 0 0 "[ . 1 .]" 3
539 1 83 ASP HA 1 84 LEU HG 1.800 . 4.000 3.831 3.438 4.091 0.091 10 0 "[ . 1 .]" 3
540 1 66 SER HA 1 67 ASP H 1.800 . 4.000 2.518 2.235 2.836 . 0 0 "[ . 1 .]" 3
541 1 67 ASP H 1 67 ASP QB 1.800 . 2.800 2.353 1.885 2.822 0.022 8 0 "[ . 1 .]" 3
542 1 27 TYR H 1 27 TYR QD 1.800 . 4.800 2.850 1.932 3.382 . 0 0 "[ . 1 .]" 3
543 1 26 GLU HA 1 27 TYR H 1.800 . 4.800 2.267 2.181 2.367 . 0 0 "[ . 1 .]" 3
544 1 27 TYR H 1 27 TYR HB2 1.800 . 2.800 2.430 2.128 2.831 0.031 7 0 "[ . 1 .]" 3
545 1 27 TYR H 1 141 LEU QD 1.800 . 6.400 3.989 2.800 4.438 . 0 0 "[ . 1 .]" 3
546 1 27 TYR H 1 141 LEU HG 1.800 . 4.000 3.894 3.524 4.062 0.062 10 0 "[ . 1 .]" 3
547 1 27 TYR HA 1 27 TYR QD 1.800 . 6.000 2.497 1.806 3.195 . 0 0 "[ . 1 .]" 3
548 1 27 TYR HA 1 27 TYR QE 1.800 . 6.000 4.452 4.143 4.928 . 0 0 "[ . 1 .]" 3
549 1 27 TYR QE 1 183 ALA H 1.800 . 5.500 3.292 2.535 4.041 . 0 0 "[ . 1 .]" 3
550 1 182 ASP HA 1 183 ALA H 1.800 . 4.000 3.452 3.345 3.545 . 0 0 "[ . 1 .]" 3
551 1 182 ASP QB 1 183 ALA H 1.800 . 5.000 3.040 2.902 3.297 . 0 0 "[ . 1 .]" 3
552 1 181 GLU HB3 1 183 ALA H 1.800 . 5.000 4.951 4.775 5.102 0.102 13 0 "[ . 1 .]" 3
553 1 178 HIS QB 1 183 ALA H 1.800 . 6.000 5.220 4.903 5.474 . 0 0 "[ . 1 .]" 3
554 1 179 LEU QD 1 183 ALA H 1.800 . 6.500 4.085 3.914 4.264 . 0 0 "[ . 1 .]" 3
555 1 27 TYR QD 1 183 ALA HA 1.800 . 5.300 4.527 3.688 5.173 . 0 0 "[ . 1 .]" 3
556 1 27 TYR QE 1 183 ALA HA 1.800 . 5.300 3.081 1.933 4.276 . 0 0 "[ . 1 .]" 3
557 1 27 TYR QD 1 183 ALA MB 1.800 . 6.800 4.643 3.882 5.178 . 0 0 "[ . 1 .]" 3
558 1 27 TYR QE 1 183 ALA MB 1.800 . 7.500 2.979 2.025 3.549 . 0 0 "[ . 1 .]" 3
559 1 49 THR HA 1 50 GLU H 1.800 . 3.300 2.459 2.198 3.364 0.064 4 0 "[ . 1 .]" 3
560 1 49 THR HB 1 50 GLU H 1.800 . 3.300 2.815 1.821 3.265 . 0 0 "[ . 1 .]" 3
561 1 50 GLU H 1 50 GLU QG 1.800 . 4.000 2.453 1.789 4.027 0.027 2 0 "[ . 1 .]" 3
562 1 50 GLU H 1 51 ALA MB 1.800 . 4.800 3.501 3.254 4.074 . 0 0 "[ . 1 .]" 3
563 1 50 GLU HA 1 50 GLU QG 1.800 . 3.300 3.018 2.245 3.172 . 0 0 "[ . 1 .]" 3
564 1 50 GLU HB3 1 163 PHE QD 1.800 . 8.000 6.924 5.303 7.474 . 0 0 "[ . 1 .]" 3
565 1 50 GLU HB2 1 163 PHE QD 1.800 . 7.000 5.576 4.404 6.170 . 0 0 "[ . 1 .]" 3
566 1 50 GLU QG 1 163 PHE QD 1.800 . 6.000 4.558 2.470 5.098 . 0 0 "[ . 1 .]" 3
567 1 111 GLN HA 1 112 ARG H 1.800 . 3.300 2.806 2.219 3.495 0.195 1 0 "[ . 1 .]" 3
568 1 102 TRP HA 1 103 THR H 1.800 . 2.800 2.268 2.190 2.359 . 0 0 "[ . 1 .]" 3
569 1 103 THR H 1 103 THR HB 1.800 . 3.300 2.305 2.227 2.440 . 0 0 "[ . 1 .]" 3
570 1 102 TRP QB 1 103 THR H 1.800 . 4.300 3.746 3.522 3.869 . 0 0 "[ . 1 .]" 3
571 1 102 TRP HZ3 1 103 THR H 1.800 . 5.000 5.063 5.019 5.109 0.109 15 0 "[ . 1 .]" 3
572 1 97 ILE MD 1 103 THR HA 1.800 . 6.500 4.697 4.399 5.204 . 0 0 "[ . 1 .]" 3
573 1 97 ILE MD 1 103 THR MG 1.800 . 5.800 2.043 1.705 2.811 0.095 4 0 "[ . 1 .]" 3
574 1 103 THR MG 1 118 VAL HB 1.800 . 6.500 4.470 2.798 5.430 . 0 0 "[ . 1 .]" 3
575 1 142 TRP HA 1 143 LEU H 1.800 . 2.800 2.341 2.265 2.515 . 0 0 "[ . 1 .]" 3
576 1 27 TYR QD 1 143 LEU H 1.800 . 7.000 4.450 3.251 5.630 . 0 0 "[ . 1 .]" 3
577 1 143 LEU H 1 143 LEU HB3 1.800 . 4.000 2.751 2.366 3.060 . 0 0 "[ . 1 .]" 3
578 1 143 LEU H 1 143 LEU HG 1.800 . 5.000 4.539 4.299 5.039 0.039 14 0 "[ . 1 .]" 3
579 1 149 LEU QD 1 152 ALA HA 1.800 . 5.500 3.516 3.131 4.085 . 0 0 "[ . 1 .]" 3
580 1 151 VAL QG 1 152 ALA HA 1.800 . 6.000 3.046 2.911 3.113 . 0 0 "[ . 1 .]" 3
581 1 149 LEU QD 1 152 ALA MB 1.800 . 7.200 2.530 1.636 3.987 0.164 14 0 "[ . 1 .]" 3
582 1 152 ALA MB 1 159 TYR HB2 1.800 . 6.500 1.981 1.709 2.304 0.091 2 0 "[ . 1 .]" 3
583 1 54 GLY HA3 1 55 LEU H 1.800 . 3.300 3.154 3.112 3.244 . 0 0 "[ . 1 .]" 3
584 1 54 GLY HA2 1 55 LEU H 1.800 . 3.300 2.268 2.237 2.303 . 0 0 "[ . 1 .]" 3
585 1 55 LEU H 1 145 GLY HA2 1.800 . 4.000 4.130 4.024 4.212 0.212 3 0 "[ . 1 .]" 3
586 1 55 LEU H 1 55 LEU QB 1.800 . 2.800 2.089 1.986 2.190 . 0 0 "[ . 1 .]" 3
587 1 55 LEU HB3 1 158 ALA HA 1.800 . 5.300 5.139 4.767 5.416 0.116 15 0 "[ . 1 .]" 3
588 1 55 LEU HB2 1 158 ALA HA 1.800 . 6.000 6.095 5.779 6.249 0.249 11 0 "[ . 1 .]" 3
589 1 55 LEU HB3 1 145 GLY HA2 1.800 . 5.300 3.948 3.388 4.487 . 0 0 "[ . 1 .]" 3
590 1 55 LEU HB2 1 145 GLY HA2 1.800 . 5.300 4.807 4.344 5.104 . 0 0 "[ . 1 .]" 3
591 1 55 LEU HG 1 149 LEU QD 1.800 . 4.800 3.460 2.940 3.695 . 0 0 "[ . 1 .]" 3
592 1 55 LEU HG 1 159 TYR HB3 1.800 . 6.000 5.927 5.430 6.190 0.190 6 0 "[ . 1 .]" 3
593 1 55 LEU HG 1 159 TYR QE 1.800 . 6.000 4.541 4.087 4.835 . 0 0 "[ . 1 .]" 3
594 1 55 LEU HG 1 145 GLY HA3 1.800 . 4.000 3.910 3.559 4.027 0.027 3 0 "[ . 1 .]" 3
595 1 55 LEU MD1 1 151 VAL QG 1.800 . 6.300 3.617 3.351 3.742 . 0 0 "[ . 1 .]" 3
596 1 55 LEU MD2 1 151 VAL QG 1.800 . 6.300 3.529 3.355 3.660 . 0 0 "[ . 1 .]" 3
597 1 55 LEU MD1 1 152 ALA MB 1.800 . 7.000 4.528 3.892 4.772 . 0 0 "[ . 1 .]" 3
598 1 55 LEU MD2 1 152 ALA MB 1.800 . 6.300 3.663 2.923 4.007 . 0 0 "[ . 1 .]" 3
599 1 55 LEU MD1 1 152 ALA HA 1.800 . 5.500 4.497 4.176 4.733 . 0 0 "[ . 1 .]" 3
600 1 55 LEU MD2 1 152 ALA HA 1.800 . 5.500 4.404 4.181 4.569 . 0 0 "[ . 1 .]" 3
601 1 55 LEU HA 1 55 LEU MD1 1.800 . 4.800 3.243 2.881 3.537 . 0 0 "[ . 1 .]" 3
602 1 55 LEU HA 1 55 LEU MD2 1.800 . 4.800 4.066 4.005 4.098 . 0 0 "[ . 1 .]" 3
603 1 55 LEU MD1 1 145 GLY HA3 1.800 . 6.500 4.895 4.690 5.023 . 0 0 "[ . 1 .]" 3
604 1 55 LEU MD2 1 145 GLY HA3 1.800 . 6.500 3.153 2.947 3.560 . 0 0 "[ . 1 .]" 3
605 1 55 LEU MD1 1 159 TYR QD 1.800 . 7.500 3.037 2.385 3.721 . 0 0 "[ . 1 .]" 3
606 1 55 LEU MD2 1 159 TYR QD 1.800 . 7.500 2.268 1.747 2.683 0.053 14 0 "[ . 1 .]" 3
607 1 71 LEU HA 1 72 ALA H 1.800 . 2.800 2.286 2.241 2.356 . 0 0 "[ . 1 .]" 3
608 1 72 ALA H 1 80 MET HA 1.800 . 5.000 3.977 3.440 4.421 . 0 0 "[ . 1 .]" 3
609 1 55 LEU HA 1 72 ALA H 1.800 . 5.000 4.266 4.038 4.381 . 0 0 "[ . 1 .]" 3
610 1 72 ALA H 1 79 GLN QG 1.800 . 5.000 2.551 2.258 2.832 . 0 0 "[ . 1 .]" 3
611 1 71 LEU HB2 1 72 ALA H 1.800 . 5.000 4.374 4.221 4.479 . 0 0 "[ . 1 .]" 3
612 1 56 ILE HB 1 72 ALA H 1.800 . 5.000 5.030 4.904 5.081 0.081 3 0 "[ . 1 .]" 3
613 1 72 ALA H 1 78 VAL MG1 1.800 . 4.800 3.815 3.638 3.952 . 0 0 "[ . 1 .]" 3
614 1 72 ALA H 1 72 ALA MB 1.800 . 4.800 2.386 2.178 2.627 . 0 0 "[ . 1 .]" 3
615 1 56 ILE MD 1 72 ALA H 1.800 . 4.800 3.126 2.746 3.439 . 0 0 "[ . 1 .]" 3
616 1 71 LEU HA 1 72 ALA MB 1.800 . 5.500 3.996 3.758 4.146 . 0 0 "[ . 1 .]" 3
617 1 55 LEU HA 1 72 ALA MB 1.800 . 4.800 1.871 1.779 1.994 0.021 15 0 "[ . 1 .]" 3
618 1 72 ALA MB 1 159 TYR HA 1.800 . 6.500 4.416 3.983 4.982 . 0 0 "[ . 1 .]" 3
619 1 72 ALA MB 1 159 TYR QE 1.800 . 6.800 1.922 1.754 2.188 0.046 2 0 "[ . 1 .]" 3
620 1 72 ALA MB 1 159 TYR QD 1.800 . 7.500 3.236 3.021 3.498 . 0 0 "[ . 1 .]" 3
621 1 71 LEU H 1 72 ALA MB 1.800 . 4.800 3.946 3.799 4.069 . 0 0 "[ . 1 .]" 3
622 1 57 LEU H 1 72 ALA MB 1.800 . 5.500 4.094 3.850 4.402 . 0 0 "[ . 1 .]" 3
623 1 72 ALA MB 1 74 VAL H 1.800 . 6.500 5.106 4.965 5.230 . 0 0 "[ . 1 .]" 3
624 1 55 LEU QB 1 72 ALA H 1.800 . 5.500 4.831 4.692 4.955 . 0 0 "[ . 1 .]" 3
625 1 56 ILE HA 1 56 ILE HG13 1.800 . 4.000 2.820 2.478 3.146 . 0 0 "[ . 1 .]" 3
626 1 55 LEU HG 1 56 ILE HA 1.800 . 4.000 4.001 3.713 4.102 0.102 11 0 "[ . 1 .]" 3
627 1 56 ILE HA 1 56 ILE HG12 1.800 . 4.000 3.438 3.213 3.659 . 0 0 "[ . 1 .]" 3
628 1 56 ILE HA 1 56 ILE MD 1.800 . 6.500 3.808 3.390 4.005 . 0 0 "[ . 1 .]" 3
629 1 56 ILE HA 1 56 ILE MG 1.800 . 4.800 2.107 2.035 2.358 . 0 0 "[ . 1 .]" 3
630 1 56 ILE HB 1 56 ILE MD 1.800 . 5.500 1.972 1.881 2.077 . 0 0 "[ . 1 .]" 3
631 1 56 ILE HB 1 71 LEU MD1 1.800 . 5.500 3.826 3.454 4.459 . 0 0 "[ . 1 .]" 3
632 1 56 ILE HB 1 72 ALA HA 1.800 . 5.000 3.863 3.666 4.229 . 0 0 "[ . 1 .]" 3
633 1 55 LEU HA 1 56 ILE QG 1.800 . 6.500 3.289 2.871 4.066 . 0 0 "[ . 1 .]" 3
634 1 56 ILE QG 1 72 ALA MB 1.800 . 6.500 4.083 3.646 4.778 . 0 0 "[ . 1 .]" 3
635 1 56 ILE MG 1 57 LEU HA 1.800 . 5.500 4.375 4.006 4.510 . 0 0 "[ . 1 .]" 3
636 1 55 LEU HA 1 56 ILE MG 1.800 . 6.500 5.285 5.162 5.409 . 0 0 "[ . 1 .]" 3
637 1 56 ILE MD 1 73 ILE HA 1.800 . 5.500 3.487 3.261 3.968 . 0 0 "[ . 1 .]" 3
638 1 56 ILE MD 1 78 VAL HA 1.800 . 6.500 3.328 3.032 3.600 . 0 0 "[ . 1 .]" 3
639 1 56 ILE MD 1 72 ALA HA 1.800 . 5.500 2.146 1.645 2.715 0.155 5 0 "[ . 1 .]" 3
640 1 56 ILE MD 1 71 LEU HA 1.800 . 5.500 3.634 3.425 3.925 . 0 0 "[ . 1 .]" 3
641 1 56 ILE MD 1 79 GLN H 1.800 . 6.000 3.384 3.115 3.665 . 0 0 "[ . 1 .]" 3
642 1 56 ILE MD 1 71 LEU H 1.800 . 5.500 4.330 4.240 4.465 . 0 0 "[ . 1 .]" 3
643 1 56 ILE MD 1 78 VAL MG2 1.800 . 5.800 3.264 1.652 3.803 0.148 8 0 "[ . 1 .]" 3
644 1 56 ILE MD 1 73 ILE MD 1.800 . 5.800 2.811 1.990 3.166 . 0 0 "[ . 1 .]" 3
645 1 56 ILE MD 1 163 PHE QD 1.800 . 8.000 4.799 3.754 5.385 . 0 0 "[ . 1 .]" 3
646 1 56 ILE MD 1 163 PHE QE 1.800 . 7.500 5.306 4.354 5.787 . 0 0 "[ . 1 .]" 3
647 1 149 LEU HA 1 159 TYR QD 1.800 . 8.000 4.559 3.831 5.931 . 0 0 "[ . 1 .]" 3
648 1 149 LEU HA 1 159 TYR QE 1.800 . 8.000 5.873 4.362 7.086 . 0 0 "[ . 1 .]" 3
649 1 148 ARG HA 1 149 LEU H 1.800 . 4.000 2.585 2.288 3.216 . 0 0 "[ . 1 .]" 3
650 1 149 LEU H 1 149 LEU QB 1.800 . 2.800 1.973 1.850 2.045 . 0 0 "[ . 1 .]" 3
651 1 149 LEU H 1 149 LEU QD 1.800 . 5.500 3.248 2.668 3.523 . 0 0 "[ . 1 .]" 3
652 1 149 LEU HA 1 149 LEU QD 1.800 . 4.800 1.818 1.502 2.835 0.298 11 0 "[ . 1 .]" 3
653 1 55 LEU MD1 1 149 LEU QD 1.800 . 7.000 2.582 1.666 3.048 0.134 6 0 "[ . 1 .]" 3
654 1 55 LEU MD2 1 149 LEU QD 1.800 . 7.000 1.508 1.409 1.640 0.391 2 0 "[ . 1 .]" 3
655 1 58 TRP HB2 1 149 LEU QD 1.800 . 6.500 3.921 2.286 4.671 . 0 0 "[ . 1 .]" 3
656 1 149 LEU QD 1 151 VAL QG 1.800 . 6.300 1.741 1.469 2.254 0.331 6 0 "[ . 1 .]" 3
657 1 77 PHE HA 1 97 ILE H 1.800 . 4.000 3.746 3.169 4.027 0.027 5 0 "[ . 1 .]" 3
658 1 96 PRO HA 1 97 ILE H 1.800 . 3.300 2.237 2.199 2.329 . 0 0 "[ . 1 .]" 3
659 1 96 PRO QB 1 97 ILE H 1.800 . 5.000 3.306 2.918 3.571 . 0 0 "[ . 1 .]" 3
660 1 97 ILE H 1 97 ILE HB 1.800 . 3.300 2.815 2.574 3.178 . 0 0 "[ . 1 .]" 3
661 1 97 ILE H 1 97 ILE MD 1.800 . 5.500 4.267 4.019 4.570 . 0 0 "[ . 1 .]" 3
662 1 97 ILE H 1 97 ILE MG 1.800 . 4.300 1.996 1.842 2.130 . 0 0 "[ . 1 .]" 3
663 1 97 ILE HA 1 97 ILE MD 1.800 . 4.300 2.680 1.972 3.611 . 0 0 "[ . 1 .]" 3
664 1 97 ILE HA 1 103 THR HB 1.800 . 5.000 4.251 3.903 4.673 . 0 0 "[ . 1 .]" 3
665 1 77 PHE QD 1 97 ILE MG 1.800 . 6.300 4.004 3.441 4.482 . 0 0 "[ . 1 .]" 3
666 1 77 PHE QE 1 97 ILE MG 1.800 . 6.800 4.960 4.628 5.175 . 0 0 "[ . 1 .]" 3
667 1 96 PRO HA 1 97 ILE MG 1.800 . 6.500 3.777 3.340 4.042 . 0 0 "[ . 1 .]" 3
668 1 97 ILE MG 1 98 ASN HA 1.800 . 6.500 3.324 2.934 3.739 . 0 0 "[ . 1 .]" 3
669 1 77 PHE HA 1 97 ILE MG 1.800 . 6.500 2.419 2.017 2.943 . 0 0 "[ . 1 .]" 3
670 1 78 VAL H 1 97 ILE MG 1.800 . 7.500 3.047 2.186 3.755 . 0 0 "[ . 1 .]" 3
671 1 97 ILE MD 1 103 THR HB 1.800 . 4.300 2.319 1.818 2.854 . 0 0 "[ . 1 .]" 3
672 1 97 ILE MD 1 103 THR H 1.800 . 6.500 4.155 3.590 4.801 . 0 0 "[ . 1 .]" 3
673 1 78 VAL H 1 97 ILE MD 1.800 . 6.500 4.034 3.047 5.211 . 0 0 "[ . 1 .]" 3
674 1 47 ILE H 1 97 ILE MD 1.800 . 6.500 4.151 3.381 4.684 . 0 0 "[ . 1 .]" 3
675 1 78 VAL HB 1 97 ILE MD 1.800 . 6.500 4.238 3.037 5.422 . 0 0 "[ . 1 .]" 3
676 1 25 MET ME 1 167 ILE MD 1.800 . 8.000 4.157 3.661 4.870 . 0 0 "[ . 1 .]" 3
677 1 17 ILE MG 1 25 MET ME 1.800 . 5.800 1.791 1.558 2.559 0.242 9 0 "[ . 1 .]" 3
678 1 17 ILE HG13 1 25 MET ME 1.800 . 6.000 2.898 2.137 3.790 . 0 0 "[ . 1 .]" 3
679 1 25 MET ME 1 179 LEU MD2 1.800 . 6.300 3.490 2.481 4.088 . 0 0 "[ . 1 .]" 3
680 1 25 MET H 1 25 MET ME 1.800 . 7.500 4.710 3.957 5.214 . 0 0 "[ . 1 .]" 3
681 1 25 MET HA 1 25 MET ME 1.800 . 7.500 4.150 3.752 4.464 . 0 0 "[ . 1 .]" 3
682 1 18 ALA HA 1 25 MET ME 1.800 . 7.500 6.052 5.705 6.185 . 0 0 "[ . 1 .]" 3
683 1 19 PHE HA 1 25 MET ME 1.800 . 6.500 4.840 4.247 5.276 . 0 0 "[ . 1 .]" 3
684 1 25 MET ME 1 179 LEU HA 1.800 . 6.500 4.831 3.459 5.337 . 0 0 "[ . 1 .]" 3
685 1 25 MET ME 1 189 ILE HA 1.800 . 6.500 4.507 3.554 5.402 . 0 0 "[ . 1 .]" 3
686 1 19 PHE HZ 1 25 MET ME 1.800 . 4.300 2.658 1.904 3.662 . 0 0 "[ . 1 .]" 3
687 1 19 PHE QE 1 25 MET ME 1.800 . 7.500 2.554 1.826 3.309 . 0 0 "[ . 1 .]" 3
688 1 19 PHE QD 1 25 MET ME 1.800 . 7.500 3.899 3.470 4.563 . 0 0 "[ . 1 .]" 3
689 1 25 MET ME 1 27 TYR QE 1.800 . 7.500 3.903 2.025 4.732 . 0 0 "[ . 1 .]" 3
690 1 80 MET HA 1 81 MET H 1.800 . 2.800 2.242 2.185 2.332 . 0 0 "[ . 1 .]" 3
691 1 80 MET QB 1 81 MET H 1.800 . 5.000 3.866 3.392 4.055 . 0 0 "[ . 1 .]" 3
692 1 80 MET QG 1 81 MET H 1.800 . 5.000 3.286 2.403 4.336 . 0 0 "[ . 1 .]" 3
693 1 81 MET H 1 81 MET ME 1.800 . 4.800 3.581 3.217 3.753 . 0 0 "[ . 1 .]" 3
694 1 55 LEU QD 1 81 MET ME 1.800 . 5.800 3.118 2.596 3.379 . 0 0 "[ . 1 .]" 3
695 1 81 MET ME 1 152 ALA HA 1.800 . 5.500 3.599 2.457 4.500 . 0 0 "[ . 1 .]" 3
696 1 58 TRP HZ3 1 81 MET ME 1.800 . 5.500 3.464 2.123 4.315 . 0 0 "[ . 1 .]" 3
697 1 55 LEU HA 1 81 MET ME 1.800 . 6.500 5.268 4.549 5.508 . 0 0 "[ . 1 .]" 3
698 1 58 TRP HB3 1 81 MET ME 1.800 . 6.500 5.483 5.356 5.544 . 0 0 "[ . 1 .]" 3
699 1 58 TRP HB2 1 81 MET ME 1.800 . 6.500 4.040 3.862 4.129 . 0 0 "[ . 1 .]" 3
700 1 79 GLN HA 1 80 MET H 1.800 . 2.800 2.200 2.163 2.249 . 0 0 "[ . 1 .]" 3
701 1 80 MET H 1 92 ARG HA 1.800 . 4.000 3.663 3.552 3.879 . 0 0 "[ . 1 .]" 3
702 1 80 MET H 1 116 LEU MD2 1.800 . 4.300 3.282 2.590 3.482 . 0 0 "[ . 1 .]" 3
703 1 71 LEU MD1 1 80 MET HA 1.800 . 5.500 4.361 3.957 4.676 . 0 0 "[ . 1 .]" 3
704 1 80 MET HA 1 81 MET ME 1.800 . 6.500 5.109 4.853 5.310 . 0 0 "[ . 1 .]" 3
705 1 80 MET ME 1 108 TYR H 1.800 . 4.300 3.325 2.736 3.596 . 0 0 "[ . 1 .]" 3
706 1 80 MET ME 1 116 LEU H 1.800 . 4.300 3.664 3.525 3.763 . 0 0 "[ . 1 .]" 3
707 1 80 MET ME 1 82 TYR QE 1.800 . 6.300 3.504 3.032 4.314 . 0 0 "[ . 1 .]" 3
708 1 43 PHE QD 1 80 MET ME 1.800 . 7.500 4.602 3.811 5.730 . 0 0 "[ . 1 .]" 3
709 1 80 MET ME 1 107 ALA HA 1.800 . 6.500 2.849 2.111 3.551 . 0 0 "[ . 1 .]" 3
710 1 80 MET ME 1 114 GLY HA2 1.800 . 5.500 3.504 2.922 4.121 . 0 0 "[ . 1 .]" 3
711 1 80 MET ME 1 114 GLY HA3 1.800 . 6.500 2.853 2.166 3.372 . 0 0 "[ . 1 .]" 3
712 1 80 MET ME 1 116 LEU HA 1.800 . 6.500 3.002 2.670 3.402 . 0 0 "[ . 1 .]" 3
713 1 80 MET ME 1 109 ARG HA 1.800 . 6.500 4.030 3.490 4.542 . 0 0 "[ . 1 .]" 3
714 1 80 MET ME 1 107 ALA MB 1.800 . 5.800 2.013 1.776 2.839 0.024 15 0 "[ . 1 .]" 3
715 1 80 MET ME 1 91 LEU QD 1.800 . 5.800 1.764 1.599 2.508 0.201 7 0 "[ . 1 .]" 3
716 1 80 MET ME 1 91 LEU HB3 1.800 . 5.500 3.225 2.655 4.133 . 0 0 "[ . 1 .]" 3
717 1 80 MET ME 1 89 VAL MG1 1.800 . 7.000 3.801 3.090 4.155 . 0 0 "[ . 1 .]" 3
718 1 40 SER HA 1 41 ASN H 1.800 . 2.800 2.323 2.202 2.567 . 0 0 "[ . 1 .]" 3
719 1 41 ASN HA 1 43 PHE QE 1.800 . 5.300 4.424 3.217 5.084 . 0 0 "[ . 1 .]" 3
720 1 98 ASN H 1 99 THR HB 1.800 . 5.000 4.871 4.438 5.071 0.071 10 0 "[ . 1 .]" 3
721 1 96 PRO HA 1 98 ASN H 1.800 . 4.000 3.847 3.505 4.024 0.024 12 0 "[ . 1 .]" 3
722 1 98 ASN H 1 98 ASN HB3 1.800 . 4.000 2.457 2.287 2.611 . 0 0 "[ . 1 .]" 3
723 1 98 ASN H 1 98 ASN HB2 1.800 . 4.000 3.543 3.512 3.584 . 0 0 "[ . 1 .]" 3
724 1 97 ILE HB 1 98 ASN H 1.800 . 4.000 3.941 3.661 4.110 0.110 14 0 "[ . 1 .]" 3
725 1 97 ILE MG 1 98 ASN H 1.800 . 4.800 1.944 1.816 2.392 . 0 0 "[ . 1 .]" 3
726 1 146 MET QB 1 147 GLU H 1.800 . 5.000 3.241 2.526 3.800 . 0 0 "[ . 1 .]" 3
727 1 147 GLU H 1 148 ARG QD 1.800 . 5.000 3.503 2.740 4.437 . 0 0 "[ . 1 .]" 3
728 1 176 GLU HA 1 177 LEU H 1.800 . 3.300 3.101 2.243 3.472 0.172 15 0 "[ . 1 .]" 3
729 1 177 LEU H 1 177 LEU QD 1.800 . 5.000 3.007 2.140 3.669 . 0 0 "[ . 1 .]" 3
730 1 58 TRP HA 1 71 LEU H 1.800 . 5.000 3.728 3.493 3.994 . 0 0 "[ . 1 .]" 3
731 1 71 LEU H 1 71 LEU MD1 1.800 . 4.800 3.975 2.818 4.115 . 0 0 "[ . 1 .]" 3
732 1 71 LEU H 1 71 LEU MD2 1.800 . 6.500 3.939 3.723 4.488 . 0 0 "[ . 1 .]" 3
733 1 57 LEU MD2 1 71 LEU HB3 1.800 . 5.500 4.565 4.358 4.675 . 0 0 "[ . 1 .]" 3
734 1 57 LEU MD2 1 71 LEU HB2 1.800 . 5.500 3.418 3.064 3.634 . 0 0 "[ . 1 .]" 3
735 1 71 LEU HB3 1 71 LEU MD2 1.800 . 5.500 2.246 2.017 2.368 . 0 0 "[ . 1 .]" 3
736 1 71 LEU HB2 1 71 LEU MD2 1.800 . 5.500 3.138 2.708 3.184 . 0 0 "[ . 1 .]" 3
737 1 71 LEU HB3 1 71 LEU MD1 1.800 . 5.500 2.459 2.330 3.030 . 0 0 "[ . 1 .]" 3
738 1 71 LEU HB2 1 71 LEU MD1 1.800 . 5.500 2.179 1.980 2.252 . 0 0 "[ . 1 .]" 3
739 1 57 LEU MD1 1 71 LEU HB3 1.800 . 4.800 3.965 3.879 4.118 . 0 0 "[ . 1 .]" 3
740 1 191 HIS HA 1 192 CYS H 1.800 . 3.300 2.861 2.275 3.536 0.236 13 0 "[ . 1 .]" 3
741 1 17 ILE HA 1 192 CYS H 1.800 . 5.000 3.857 2.300 4.999 . 0 0 "[ . 1 .]" 3
742 1 191 HIS HB3 1 192 CYS H 1.800 . 4.000 2.903 1.959 4.039 0.039 9 0 "[ . 1 .]" 3
743 1 191 HIS HB2 1 192 CYS H 1.800 . 5.000 3.435 2.060 4.598 . 0 0 "[ . 1 .]" 3
744 1 192 CYS H 1 192 CYS HB3 1.800 . 4.000 3.103 2.633 3.791 . 0 0 "[ . 1 .]" 3
745 1 192 CYS H 1 192 CYS HB2 1.800 . 4.000 2.652 2.076 3.274 . 0 0 "[ . 1 .]" 3
746 1 18 ALA MB 1 192 CYS H 1.800 . 6.500 3.161 1.809 3.884 . 0 0 "[ . 1 .]" 3
747 1 18 ALA MB 1 192 CYS HA 1.800 . 4.300 2.043 1.776 2.498 0.024 10 0 "[ . 1 .]" 3
748 1 16 ALA MB 1 192 CYS HA 1.800 . 5.500 4.381 4.205 4.565 . 0 0 "[ . 1 .]" 3
749 1 16 ALA MB 1 192 CYS HB3 1.800 . 4.800 2.673 2.013 3.420 . 0 0 "[ . 1 .]" 3
750 1 16 ALA MB 1 192 CYS HB2 1.800 . 4.800 2.439 1.976 3.267 . 0 0 "[ . 1 .]" 3
751 1 18 ALA MB 1 192 CYS HB3 1.800 . 6.500 4.218 3.583 4.753 . 0 0 "[ . 1 .]" 3
752 1 18 ALA MB 1 192 CYS HB2 1.800 . 6.500 3.290 2.250 3.833 . 0 0 "[ . 1 .]" 3
753 1 166 CYS QB 1 192 CYS QB 1.800 . 5.000 2.595 1.790 3.685 0.010 2 0 "[ . 1 .]" 3
754 1 61 LYS HA 1 138 ASP H 1.800 . 5.000 3.902 1.842 5.119 0.119 14 0 "[ . 1 .]" 3
755 1 61 LYS QB 1 138 ASP H 1.800 . 4.000 2.704 2.177 3.122 . 0 0 "[ . 1 .]" 3
756 1 167 ILE HA 1 168 ARG H 1.800 . 2.800 2.365 2.331 2.415 . 0 0 "[ . 1 .]" 3
757 1 46 SER HB3 1 168 ARG H 1.800 . 5.000 4.834 4.566 5.032 0.032 7 0 "[ . 1 .]" 3
758 1 168 ARG H 1 168 ARG QG 1.800 . 4.500 3.909 3.196 4.121 . 0 0 "[ . 1 .]" 3
759 1 168 ARG H 1 170 VAL QG 1.800 . 4.800 2.940 2.672 3.135 . 0 0 "[ . 1 .]" 3
760 1 47 ILE MG 1 168 ARG H 1.800 . 5.000 3.710 3.224 4.084 . 0 0 "[ . 1 .]" 3
761 1 14 ALA HA 1 168 ARG HG3 1.800 . 6.000 4.680 2.711 6.015 0.015 8 0 "[ . 1 .]" 3
762 1 14 ALA HA 1 168 ARG HG2 1.800 . 6.000 5.301 3.641 6.013 0.013 15 0 "[ . 1 .]" 3
763 1 53 GLN HA 1 73 ILE H 1.800 . 5.000 4.303 4.042 4.667 . 0 0 "[ . 1 .]" 3
764 1 73 ILE H 1 79 GLN QG 1.800 . 5.000 4.331 3.726 4.540 . 0 0 "[ . 1 .]" 3
765 1 73 ILE H 1 73 ILE QG 1.800 . 4.000 2.426 2.036 3.031 . 0 0 "[ . 1 .]" 3
766 1 73 ILE H 1 73 ILE HB 1.800 . 2.800 2.629 2.357 2.975 0.175 14 0 "[ . 1 .]" 3
767 1 73 ILE H 1 74 VAL MG1 1.800 . 6.500 4.948 4.258 5.398 . 0 0 "[ . 1 .]" 3
768 1 73 ILE H 1 73 ILE MD 1.800 . 6.500 3.427 2.911 4.081 . 0 0 "[ . 1 .]" 3
769 1 72 ALA MB 1 73 ILE H 1.800 . 4.800 2.391 2.224 2.551 . 0 0 "[ . 1 .]" 3
770 1 73 ILE H 1 73 ILE MG 1.800 . 5.500 3.819 3.686 3.905 . 0 0 "[ . 1 .]" 3
771 1 73 ILE MG 1 78 VAL HA 1.800 . 5.500 2.833 1.852 3.487 . 0 0 "[ . 1 .]" 3
772 1 73 ILE MD 1 163 PHE QE 1.800 . 5.300 2.802 2.056 3.691 . 0 0 "[ . 1 .]" 3
773 1 73 ILE MD 1 163 PHE QD 1.800 . 6.000 2.443 1.668 3.298 0.132 14 0 "[ . 1 .]" 3
774 1 175 GLN H 1 175 GLN HA 1.800 . 2.800 2.953 2.931 2.971 0.171 10 0 "[ . 1 .]" 3
775 1 174 ARG HA 1 175 GLN H 1.800 . 4.000 3.048 2.958 3.272 . 0 0 "[ . 1 .]" 3
776 1 175 GLN H 1 175 GLN HB3 1.800 . 3.300 3.486 3.399 3.613 0.313 1 0 "[ . 1 .]" 3
777 1 175 GLN H 1 175 GLN HG3 1.800 . 5.000 3.514 2.816 4.102 . 0 0 "[ . 1 .]" 3
778 1 175 GLN H 1 175 GLN HG2 1.800 . 5.000 3.332 2.118 4.214 . 0 0 "[ . 1 .]" 3
779 1 174 ARG QB 1 175 GLN H 1.800 . 5.000 3.721 3.464 3.997 . 0 0 "[ . 1 .]" 3
780 1 172 VAL QG 1 175 GLN H 1.800 . 6.500 3.419 2.505 4.031 . 0 0 "[ . 1 .]" 3
781 1 175 GLN H 1 177 LEU QD 1.800 . 6.500 4.116 3.527 4.791 . 0 0 "[ . 1 .]" 3
782 1 171 ILE MG 1 175 GLN H 1.800 . 4.800 2.413 1.892 3.453 . 0 0 "[ . 1 .]" 3
783 1 31 VAL QG 1 175 GLN QG 1.800 . 4.800 2.595 1.825 3.243 . 0 0 "[ . 1 .]" 3
784 1 172 VAL QG 1 175 GLN QG 1.800 . 5.500 3.154 2.811 3.711 . 0 0 "[ . 1 .]" 3
785 1 130 LEU H 1 130 LEU HG 1.800 . 2.800 2.807 2.634 2.912 0.112 7 0 "[ . 1 .]" 3
786 1 129 PRO HA 1 130 LEU H 1.800 . 3.300 2.696 2.235 3.514 0.214 12 0 "[ . 1 .]" 3
787 1 130 LEU H 1 130 LEU QD 1.800 . 7.400 2.852 1.908 3.502 . 0 0 "[ . 1 .]" 3
788 1 130 LEU HA 1 130 LEU QD 1.800 . 5.200 3.003 2.111 3.438 . 0 0 "[ . 1 .]" 3
789 1 13 ASP H 1 13 ASP HB3 1.800 . 4.000 3.275 2.587 3.938 . 0 0 "[ . 1 .]" 3
790 1 13 ASP H 1 13 ASP HB2 1.800 . 4.000 3.261 2.421 3.923 . 0 0 "[ . 1 .]" 3
791 1 12 GLY QA 1 13 ASP H 1.800 . 2.800 2.252 2.158 2.496 . 0 0 "[ . 1 .]" 3
792 1 43 PHE HA 1 44 GLU H 1.800 . 2.800 2.249 2.230 2.275 . 0 0 "[ . 1 .]" 3
793 1 43 PHE QD 1 44 GLU H 1.800 . 6.000 4.113 3.559 4.642 . 0 0 "[ . 1 .]" 3
794 1 44 GLU H 1 172 VAL HA 1.800 . 5.000 3.467 3.020 3.711 . 0 0 "[ . 1 .]" 3
795 1 43 PHE QB 1 44 GLU H 1.800 . 4.300 3.515 3.318 3.690 . 0 0 "[ . 1 .]" 3
796 1 44 GLU H 1 44 GLU QG 1.800 . 5.000 2.767 2.597 2.978 . 0 0 "[ . 1 .]" 3
797 1 44 GLU H 1 44 GLU HB3 1.800 . 4.000 3.757 3.672 3.814 . 0 0 "[ . 1 .]" 3
798 1 44 GLU H 1 171 ILE HB 1.800 . 4.000 3.981 3.772 4.081 0.081 6 0 "[ . 1 .]" 3
799 1 44 GLU H 1 171 ILE HG13 1.800 . 5.000 4.505 3.723 5.081 0.081 14 0 "[ . 1 .]" 3
800 1 44 GLU H 1 172 VAL MG1 1.800 . 6.500 4.955 3.257 5.392 . 0 0 "[ . 1 .]" 3
801 1 44 GLU H 1 45 LEU QD 1.800 . 7.400 3.039 2.829 3.305 . 0 0 "[ . 1 .]" 3
802 1 44 GLU HA 1 106 LYS QB 1.800 . 6.000 3.897 3.492 4.119 . 0 0 "[ . 1 .]" 3
803 1 44 GLU HA 1 106 LYS QD 1.800 . 6.000 3.411 2.332 4.437 . 0 0 "[ . 1 .]" 3
804 1 44 GLU HB3 1 45 LEU QD 1.800 . 6.400 4.154 4.061 4.325 . 0 0 "[ . 1 .]" 3
805 1 44 GLU HG3 1 106 LYS HA 1.800 . 5.000 3.753 3.401 4.314 . 0 0 "[ . 1 .]" 3
806 1 44 GLU HG2 1 106 LYS HA 1.800 . 5.000 4.226 3.479 4.955 . 0 0 "[ . 1 .]" 3
807 1 44 GLU HA 1 44 GLU HG3 1.800 . 4.000 2.591 2.424 2.732 . 0 0 "[ . 1 .]" 3
808 1 44 GLU HA 1 44 GLU HG2 1.800 . 4.000 3.047 2.777 3.296 . 0 0 "[ . 1 .]" 3
809 1 43 PHE H 1 44 GLU HG3 1.800 . 5.000 3.488 3.304 3.666 . 0 0 "[ . 1 .]" 3
810 1 43 PHE H 1 44 GLU HG2 1.800 . 5.000 4.992 4.779 5.106 0.106 14 0 "[ . 1 .]" 3
811 1 44 GLU HG3 1 45 LEU H 1.800 . 5.000 4.722 4.572 4.873 . 0 0 "[ . 1 .]" 3
812 1 44 GLU HG2 1 45 LEU H 1.800 . 5.000 4.713 4.291 5.042 0.042 5 0 "[ . 1 .]" 3
813 1 44 GLU HG3 1 106 LYS QB 1.800 . 5.000 4.436 4.224 4.586 . 0 0 "[ . 1 .]" 3
814 1 44 GLU HG2 1 106 LYS QB 1.800 . 5.000 4.103 3.506 4.468 . 0 0 "[ . 1 .]" 3
815 1 44 GLU HG3 1 106 LYS QD 1.800 . 5.000 2.485 2.080 3.285 . 0 0 "[ . 1 .]" 3
816 1 44 GLU HG2 1 106 LYS QD 1.800 . 5.000 2.466 1.748 3.791 0.052 5 0 "[ . 1 .]" 3
817 1 28 HIS H 1 140 ALA MB 1.800 . 6.500 5.225 4.732 5.335 . 0 0 "[ . 1 .]" 3
818 1 28 HIS H 1 140 ALA HA 1.800 . 6.500 4.991 4.559 5.559 . 0 0 "[ . 1 .]" 3
819 1 193 SER HB3 1 194 ALA MB 1.800 . 6.500 4.831 4.399 5.242 . 0 0 "[ . 1 .]" 3
820 1 193 SER HB2 1 194 ALA MB 1.800 . 6.500 4.539 3.048 5.176 . 0 0 "[ . 1 .]" 3
821 1 98 ASN HA 1 100 ASN H 1.800 . 3.300 3.303 3.110 3.383 0.083 8 0 "[ . 1 .]" 3
822 1 49 THR HB 1 100 ASN H 1.800 . 5.000 4.360 3.843 5.126 0.126 4 0 "[ . 1 .]" 3
823 1 49 THR MG 1 100 ASN H 1.800 . 6.500 4.922 2.625 5.482 . 0 0 "[ . 1 .]" 3
824 1 99 THR MG 1 100 ASN H 1.800 . 6.500 3.678 3.023 4.116 . 0 0 "[ . 1 .]" 3
825 1 50 GLU QB 1 100 ASN H 1.800 . 6.000 5.261 4.446 5.437 . 0 0 "[ . 1 .]" 3
826 1 48 LYS HG3 1 100 ASN HA 1.800 . 4.000 3.499 2.963 4.032 0.032 9 0 "[ . 1 .]" 3
827 1 48 LYS HG2 1 100 ASN HA 1.800 . 4.000 3.065 2.579 3.646 . 0 0 "[ . 1 .]" 3
828 1 24 TYR HB3 1 26 GLU H 1.800 . 6.000 5.785 4.457 6.141 0.141 14 0 "[ . 1 .]" 3
829 1 24 TYR HB2 1 26 GLU H 1.800 . 6.000 5.394 4.501 6.131 0.131 4 0 "[ . 1 .]" 3
830 1 26 GLU H 1 27 TYR HA 1.800 . 5.000 5.069 4.935 5.137 0.137 9 0 "[ . 1 .]" 3
831 1 190 LEU HA 1 191 HIS H 1.800 . 2.800 2.413 2.243 2.593 . 0 0 "[ . 1 .]" 3
832 1 191 HIS H 1 191 HIS HB3 1.800 . 3.300 3.441 3.304 3.549 0.249 8 0 "[ . 1 .]" 3
833 1 191 HIS H 1 191 HIS HB2 1.800 . 3.300 2.239 2.103 2.486 . 0 0 "[ . 1 .]" 3
834 1 190 LEU HB2 1 191 HIS H 1.800 . 4.000 3.923 3.580 4.103 0.103 14 0 "[ . 1 .]" 3
835 1 190 LEU HB3 1 191 HIS H 1.800 . 3.300 2.753 2.403 3.360 0.060 2 0 "[ . 1 .]" 3
836 1 190 LEU MD1 1 191 HIS H 1.800 . 7.000 4.604 4.025 4.901 . 0 0 "[ . 1 .]" 3
837 1 18 ALA MB 1 191 HIS H 1.800 . 7.000 3.669 3.306 4.410 . 0 0 "[ . 1 .]" 3
838 1 189 ILE MG 1 191 HIS H 1.800 . 7.000 4.980 4.444 5.422 . 0 0 "[ . 1 .]" 3
839 1 191 HIS HA 1 191 HIS HB2 1.800 . 2.800 2.947 2.863 3.001 0.201 8 0 "[ . 1 .]" 3
840 1 17 ILE MD 1 191 HIS HA 1.800 . 5.500 2.838 2.345 3.966 . 0 0 "[ . 1 .]" 3
841 1 190 LEU MD2 1 191 HIS HA 1.800 . 6.500 5.263 5.193 5.316 . 0 0 "[ . 1 .]" 3
842 1 16 ALA MB 1 191 HIS HB3 1.800 . 6.000 3.905 3.631 4.140 . 0 0 "[ . 1 .]" 3
843 1 16 ALA MB 1 191 HIS HB2 1.800 . 6.500 5.261 5.061 5.341 . 0 0 "[ . 1 .]" 3
844 1 120 ASN HA 1 121 GLU H 1.800 . 4.000 2.977 2.838 3.154 . 0 0 "[ . 1 .]" 3
845 1 120 ASN QB 1 121 GLU H 1.800 . 4.000 3.754 3.647 3.970 . 0 0 "[ . 1 .]" 3
846 1 121 GLU H 1 121 GLU HB3 1.800 . 3.300 3.092 2.096 3.403 0.103 12 0 "[ . 1 .]" 3
847 1 121 GLU H 1 121 GLU HB2 1.800 . 3.300 2.377 2.052 3.516 0.216 4 0 "[ . 1 .]" 3
848 1 121 GLU H 1 121 GLU QG 1.800 . 3.800 3.452 3.330 3.562 . 0 0 "[ . 1 .]" 3
849 1 121 GLU H 1 122 ALA MB 1.800 . 7.500 5.363 5.151 5.613 . 0 0 "[ . 1 .]" 3
850 1 95 VAL QG 1 121 GLU H 1.800 . 7.000 4.979 4.738 5.243 . 0 0 "[ . 1 .]" 3
851 1 166 CYS HA 1 167 ILE H 1.800 . 2.800 2.248 2.200 2.297 . 0 0 "[ . 1 .]" 3
852 1 166 CYS HB3 1 167 ILE H 1.800 . 3.300 3.018 2.818 3.219 . 0 0 "[ . 1 .]" 3
853 1 167 ILE H 1 167 ILE HB 1.800 . 3.300 2.503 2.462 2.532 . 0 0 "[ . 1 .]" 3
854 1 167 ILE H 1 167 ILE HG13 1.800 . 4.000 3.021 2.801 3.142 . 0 0 "[ . 1 .]" 3
855 1 167 ILE H 1 167 ILE HG12 1.800 . 4.500 4.262 4.103 4.351 . 0 0 "[ . 1 .]" 3
856 1 18 ALA MB 1 167 ILE H 1.800 . 8.000 5.427 5.285 5.603 . 0 0 "[ . 1 .]" 3
857 1 167 ILE H 1 167 ILE MD 1.800 . 6.500 2.900 2.733 3.106 . 0 0 "[ . 1 .]" 3
858 1 17 ILE MG 1 167 ILE H 1.800 . 6.500 4.703 4.276 5.134 . 0 0 "[ . 1 .]" 3
859 1 167 ILE H 1 179 LEU MD2 1.800 . 6.500 5.004 4.444 5.454 . 0 0 "[ . 1 .]" 3
860 1 167 ILE HA 1 167 ILE MD 1.800 . 6.500 3.685 3.659 3.709 . 0 0 "[ . 1 .]" 3
861 1 167 ILE HA 1 167 ILE MG 1.800 . 6.500 2.354 2.271 2.431 . 0 0 "[ . 1 .]" 3
862 1 167 ILE HA 1 167 ILE HG12 1.800 . 2.800 3.008 2.982 3.040 0.240 3 0 "[ . 1 .]" 3
863 1 167 ILE MD 1 168 ARG H 1.800 . 6.500 5.112 4.986 5.202 . 0 0 "[ . 1 .]" 3
864 1 166 CYS HA 1 167 ILE MD 1.800 . 4.000 3.091 3.011 3.274 . 0 0 "[ . 1 .]" 3
865 1 166 CYS HB2 1 167 ILE MD 1.800 . 6.500 5.241 5.168 5.350 . 0 0 "[ . 1 .]" 3
866 1 19 PHE HB2 1 167 ILE MD 1.800 . 6.500 3.392 3.130 3.560 . 0 0 "[ . 1 .]" 3
867 1 163 PHE QB 1 167 ILE MD 1.800 . 5.000 3.569 3.449 3.686 . 0 0 "[ . 1 .]" 3
868 1 19 PHE HZ 1 167 ILE H 1.800 . 5.000 5.034 4.808 5.105 0.105 7 0 "[ . 1 .]" 3
869 1 19 PHE QD 1 167 ILE H 1.800 . 7.000 3.936 3.465 4.980 . 0 0 "[ . 1 .]" 3
870 1 19 PHE QE 1 167 ILE H 1.800 . 7.000 3.304 2.628 4.471 . 0 0 "[ . 1 .]" 3
871 1 163 PHE QE 1 167 ILE HA 1.800 . 6.000 4.535 4.260 5.056 . 0 0 "[ . 1 .]" 3
872 1 19 PHE HZ 1 167 ILE HB 1.800 . 5.000 3.425 3.185 3.761 . 0 0 "[ . 1 .]" 3
873 1 19 PHE QD 1 167 ILE MD 1.800 . 8.500 2.557 2.236 2.811 . 0 0 "[ . 1 .]" 3
874 1 19 PHE HZ 1 167 ILE MD 1.800 . 4.800 2.515 2.351 2.747 . 0 0 "[ . 1 .]" 3
875 1 163 PHE QE 1 167 ILE MD 1.800 . 7.500 2.015 1.833 2.279 . 0 0 "[ . 1 .]" 3
876 1 183 ALA MB 1 184 LEU H 1.800 . 4.300 2.633 2.484 2.809 . 0 0 "[ . 1 .]" 3
877 1 184 LEU H 1 184 LEU MD1 1.800 . 6.500 3.334 1.838 4.162 . 0 0 "[ . 1 .]" 3
878 1 169 ASP HA 1 170 VAL H 1.800 . 2.800 2.474 2.290 2.658 . 0 0 "[ . 1 .]" 3
879 1 170 VAL MG1 1 171 ILE H 1.800 . 4.800 3.984 3.922 4.052 . 0 0 "[ . 1 .]" 3
880 1 170 VAL MG2 1 171 ILE H 1.800 . 4.800 4.048 4.010 4.087 . 0 0 "[ . 1 .]" 3
881 1 170 VAL H 1 170 VAL MG1 1.800 . 5.500 2.823 2.653 2.914 . 0 0 "[ . 1 .]" 3
882 1 170 VAL H 1 170 VAL MG2 1.800 . 4.800 1.832 1.782 1.895 0.018 1 0 "[ . 1 .]" 3
883 1 45 LEU HA 1 170 VAL MG1 1.800 . 6.500 2.007 1.803 2.611 . 0 0 "[ . 1 .]" 3
884 1 45 LEU HA 1 170 VAL MG2 1.800 . 6.500 4.401 4.181 4.750 . 0 0 "[ . 1 .]" 3
885 1 84 LEU MD1 1 133 THR HA 1.800 . 6.500 4.965 3.670 5.492 . 0 0 "[ . 1 .]" 3
886 1 57 LEU H 1 57 LEU HA 1.800 . 2.800 2.954 2.919 2.966 0.166 3 0 "[ . 1 .]" 3
887 1 57 LEU H 1 71 LEU HA 1.800 . 5.000 4.333 4.107 4.975 . 0 0 "[ . 1 .]" 3
888 1 57 LEU H 1 71 LEU HB2 1.800 . 5.500 2.547 2.091 3.393 . 0 0 "[ . 1 .]" 3
889 1 57 LEU H 1 58 TRP HB3 1.800 . 6.000 5.219 4.806 5.443 . 0 0 "[ . 1 .]" 3
890 1 57 LEU H 1 143 LEU QD 1.800 . 5.500 3.772 3.436 4.189 . 0 0 "[ . 1 .]" 3
891 1 57 LEU HA 1 58 TRP QB 1.800 . 6.000 3.897 3.805 4.000 . 0 0 "[ . 1 .]" 3
892 1 57 LEU QB 1 143 LEU QD 1.800 . 4.800 2.072 1.711 2.704 0.089 9 0 "[ . 1 .]" 3
893 1 45 LEU QD 1 57 LEU HB3 1.800 . 7.400 4.657 4.116 5.311 . 0 0 "[ . 1 .]" 3
894 1 45 LEU QD 1 57 LEU HB2 1.800 . 7.400 3.873 3.327 4.477 . 0 0 "[ . 1 .]" 3
895 1 57 LEU HB3 1 71 LEU HB2 1.800 . 4.000 1.765 1.661 1.865 0.139 11 0 "[ . 1 .]" 3
896 1 57 LEU HB2 1 71 LEU HB2 1.800 . 4.000 2.183 1.920 3.088 . 0 0 "[ . 1 .]" 3
897 1 57 LEU QD 1 71 LEU MD1 1.800 . 6.700 1.551 1.519 1.577 0.281 5 0 "[ . 1 .]" 3
898 1 57 LEU MD1 1 58 TRP H 1.800 . 6.500 4.225 4.037 4.500 . 0 0 "[ . 1 .]" 3
899 1 43 PHE QD 1 57 LEU MD1 1.800 . 6.800 3.565 2.464 4.573 . 0 0 "[ . 1 .]" 3
900 1 43 PHE QD 1 57 LEU MD2 1.800 . 6.300 4.278 3.515 4.825 . 0 0 "[ . 1 .]" 3
901 1 57 LEU HA 1 57 LEU MD2 1.800 . 5.500 3.081 2.919 3.193 . 0 0 "[ . 1 .]" 3
902 1 57 LEU MD2 1 58 TRP HA 1.800 . 4.800 2.876 2.542 3.192 . 0 0 "[ . 1 .]" 3
903 1 57 LEU HA 1 57 LEU MD1 1.800 . 6.500 3.554 3.389 3.805 . 0 0 "[ . 1 .]" 3
904 1 57 LEU MD1 1 58 TRP HA 1.800 . 6.500 5.393 5.087 5.566 . 0 0 "[ . 1 .]" 3
905 1 57 LEU MD1 1 143 LEU QD 1.800 . 6.700 1.817 1.564 2.310 0.236 7 0 "[ . 1 .]" 3
906 1 57 LEU MD2 1 143 LEU QD 1.800 . 6.700 3.386 3.231 3.941 . 0 0 "[ . 1 .]" 3
907 1 57 LEU MD2 1 144 GLY H 1.800 . 6.500 5.558 5.468 5.619 . 0 0 "[ . 1 .]" 3
908 1 57 LEU MD2 1 69 ILE H 1.800 . 6.500 5.353 5.048 5.571 . 0 0 "[ . 1 .]" 3
909 1 20 ASP HA 1 22 ARG H 1.800 . 5.000 4.456 4.357 4.570 . 0 0 "[ . 1 .]" 3
910 1 21 GLY HA2 1 22 ARG H 1.800 . 4.000 3.415 3.331 3.509 . 0 0 "[ . 1 .]" 3
911 1 20 ASP QB 1 22 ARG H 1.800 . 4.000 3.566 3.321 3.693 . 0 0 "[ . 1 .]" 3
912 1 22 ARG H 1 22 ARG QG 1.800 . 5.000 4.063 3.871 4.308 . 0 0 "[ . 1 .]" 3
913 1 22 ARG H 1 22 ARG HB3 1.800 . 3.300 2.667 2.273 3.057 . 0 0 "[ . 1 .]" 3
914 1 22 ARG H 1 22 ARG HB2 1.800 . 3.300 2.870 2.533 3.151 . 0 0 "[ . 1 .]" 3
915 1 22 ARG HA 1 22 ARG HB2 1.800 . 2.800 2.545 2.400 2.681 . 0 0 "[ . 1 .]" 3
916 1 34 SER QB 1 35 GLU H 1.800 . 5.000 3.008 2.037 3.923 . 0 0 "[ . 1 .]" 3
917 1 15 GLU H 1 15 GLU HA 1.800 . 2.800 2.867 2.712 2.964 0.164 15 0 "[ . 1 .]" 3
918 1 15 GLU H 1 15 GLU HG3 1.800 . 5.000 3.897 3.549 4.380 . 0 0 "[ . 1 .]" 3
919 1 14 ALA MB 1 15 GLU H 1.800 . 6.500 3.677 3.473 3.733 . 0 0 "[ . 1 .]" 3
920 1 110 VAL H 1 110 VAL HB 1.800 . 2.800 2.705 2.541 2.890 0.090 8 0 "[ . 1 .]" 3
921 1 110 VAL H 1 113 GLU QB 1.800 . 5.000 4.127 3.536 4.489 . 0 0 "[ . 1 .]" 3
922 1 109 ARG QG 1 110 VAL H 1.800 . 4.000 2.817 1.840 3.492 . 0 0 "[ . 1 .]" 3
923 1 127 SER HA 1 128 SER H 1.800 . 2.800 2.419 2.279 2.523 . 0 0 "[ . 1 .]" 3
924 1 112 ARG HA 1 128 SER H 1.800 . 3.300 3.075 2.707 3.458 0.158 2 0 "[ . 1 .]" 3
925 1 128 SER H 1 130 LEU HA 1.800 . 5.100 5.267 5.141 5.354 0.254 12 0 "[ . 1 .]" 3
926 1 89 VAL MG2 1 128 SER HA 1.800 . 4.800 3.208 2.601 3.785 . 0 0 "[ . 1 .]" 3
927 1 128 SER HA 1 129 PRO QG 1.800 . 6.000 4.181 4.053 4.356 . 0 0 "[ . 1 .]" 3
928 1 112 ARG QB 1 128 SER QB 1.800 . 6.000 3.523 2.080 4.527 . 0 0 "[ . 1 .]" 3
929 1 128 SER QB 1 129 PRO QG 1.800 . 5.000 3.517 3.129 3.716 . 0 0 "[ . 1 .]" 3
930 1 54 GLY QA 1 161 THR H 1.800 . 5.000 3.778 3.450 4.107 . 0 0 "[ . 1 .]" 3
931 1 160 SER HA 1 161 THR H 1.800 . 3.300 3.356 3.320 3.401 0.101 11 0 "[ . 1 .]" 3
932 1 161 THR H 1 161 THR HB 1.800 . 2.800 2.395 2.233 2.530 . 0 0 "[ . 1 .]" 3
933 1 160 SER HB3 1 161 THR H 1.800 . 4.000 3.505 3.258 3.766 . 0 0 "[ . 1 .]" 3
934 1 160 SER HB2 1 161 THR H 1.800 . 4.000 3.698 3.443 3.869 . 0 0 "[ . 1 .]" 3
935 1 161 THR H 1 161 THR MG 1.800 . 5.500 3.630 3.557 3.793 . 0 0 "[ . 1 .]" 3
936 1 157 LYS QB 1 161 THR H 1.800 . 5.500 4.285 3.746 4.952 . 0 0 "[ . 1 .]" 3
937 1 158 ALA MB 1 161 THR H 1.800 . 6.500 4.615 4.542 4.688 . 0 0 "[ . 1 .]" 3
938 1 160 SER HB3 1 161 THR HA 1.800 . 4.500 4.464 4.305 4.552 0.052 6 0 "[ . 1 .]" 3
939 1 146 MET HA 1 148 ARG H 1.800 . 5.000 3.797 3.398 4.248 . 0 0 "[ . 1 .]" 3
940 1 148 ARG H 1 149 LEU MD2 1.800 . 6.500 5.218 4.478 5.580 . 0 0 "[ . 1 .]" 3
941 1 19 PHE HA 1 23 THR H 1.800 . 5.000 4.793 4.204 5.053 0.053 14 0 "[ . 1 .]" 3
942 1 23 THR H 1 23 THR HB 1.800 . 4.000 2.606 2.147 3.299 . 0 0 "[ . 1 .]" 3
943 1 22 ARG HA 1 23 THR HA 1.800 . 5.000 4.777 4.577 5.021 0.021 6 0 "[ . 1 .]" 3
944 1 23 THR HA 1 24 TYR HB3 1.800 . 5.000 4.348 3.649 5.374 0.374 13 0 "[ . 1 .]" 3
945 1 181 GLU H 1 181 GLU QG 1.800 . 5.000 2.735 2.557 2.938 . 0 0 "[ . 1 .]" 3
946 1 180 VAL HB 1 181 GLU H 1.800 . 3.300 3.034 2.669 3.302 0.002 4 0 "[ . 1 .]" 3
947 1 179 LEU MD2 1 181 GLU H 1.800 . 7.000 5.813 5.508 6.015 . 0 0 "[ . 1 .]" 3
948 1 181 GLU HA 1 181 GLU HG2 1.800 . 2.800 2.093 2.001 2.260 . 0 0 "[ . 1 .]" 3
949 1 181 GLU HA 1 181 GLU HG3 1.800 . 3.300 3.132 2.912 3.427 0.127 1 0 "[ . 1 .]" 3
950 1 181 GLU HA 1 184 LEU QB 1.800 . 5.000 3.960 3.604 4.261 . 0 0 "[ . 1 .]" 3
951 1 53 GLN QE 1 76 GLY H 1.800 . 5.000 3.955 3.529 4.441 . 0 0 "[ . 1 .]" 3
952 1 75 ASP HA 1 76 GLY H 1.800 . 4.000 3.167 2.986 3.387 . 0 0 "[ . 1 .]" 3
953 1 52 THR HB 1 76 GLY H 1.800 . 4.000 2.575 1.902 3.765 . 0 0 "[ . 1 .]" 3
954 1 76 GLY H 1 76 GLY QA 1.800 . 2.800 2.314 2.274 2.435 . 0 0 "[ . 1 .]" 3
955 1 74 VAL MG1 1 76 GLY H 1.800 . 7.500 4.640 3.916 5.165 . 0 0 "[ . 1 .]" 3
956 1 74 VAL MG2 1 76 GLY H 1.800 . 7.500 4.645 4.254 5.363 . 0 0 "[ . 1 .]" 3
957 1 73 ILE MG 1 76 GLY H 1.800 . 5.500 3.001 2.539 3.796 . 0 0 "[ . 1 .]" 3
958 1 76 GLY QA 1 97 ILE MG 1.800 . 6.500 2.975 2.168 3.487 . 0 0 "[ . 1 .]" 3
959 1 73 ILE MG 1 76 GLY HA3 1.800 . 6.500 4.336 4.084 4.936 . 0 0 "[ . 1 .]" 3
960 1 73 ILE MG 1 76 GLY HA2 1.800 . 6.500 3.126 2.844 3.907 . 0 0 "[ . 1 .]" 3
961 1 52 THR MG 1 76 GLY HA3 1.800 . 5.500 2.582 1.917 3.950 . 0 0 "[ . 1 .]" 3
962 1 52 THR MG 1 76 GLY HA2 1.800 . 5.500 2.354 1.778 3.460 0.022 9 0 "[ . 1 .]" 3
963 1 77 PHE H 1 77 PHE QD 1.800 . 4.800 2.929 2.279 3.644 . 0 0 "[ . 1 .]" 3
964 1 77 PHE H 1 77 PHE QE 1.800 . 7.000 4.864 4.362 5.314 . 0 0 "[ . 1 .]" 3
965 1 74 VAL HA 1 77 PHE H 1.800 . 5.000 4.338 4.140 4.630 . 0 0 "[ . 1 .]" 3
966 1 76 GLY HA2 1 77 PHE H 1.800 . 4.000 3.185 2.946 3.354 . 0 0 "[ . 1 .]" 3
967 1 76 GLY HA3 1 77 PHE H 1.800 . 4.000 3.389 3.246 3.514 . 0 0 "[ . 1 .]" 3
968 1 77 PHE H 1 77 PHE HB3 1.800 . 4.000 3.742 3.484 3.844 . 0 0 "[ . 1 .]" 3
969 1 74 VAL HB 1 77 PHE H 1.800 . 6.000 5.106 4.523 5.785 . 0 0 "[ . 1 .]" 3
970 1 74 VAL MG2 1 77 PHE H 1.800 . 5.500 4.422 3.517 4.618 . 0 0 "[ . 1 .]" 3
971 1 73 ILE MG 1 77 PHE H 1.800 . 4.800 2.707 2.283 3.274 . 0 0 "[ . 1 .]" 3
972 1 68 TYR H 1 69 ILE H 1.800 . 4.000 4.093 3.651 4.343 0.343 11 0 "[ . 1 .]" 3
973 1 58 TRP HA 1 69 ILE H 1.800 . 5.000 4.863 4.438 5.145 0.145 6 0 "[ . 1 .]" 3
974 1 69 ILE H 1 69 ILE HB 1.800 . 4.000 3.085 2.290 4.004 0.004 2 0 "[ . 1 .]" 3
975 1 69 ILE H 1 69 ILE QG 1.800 . 4.000 3.372 2.089 3.865 . 0 0 "[ . 1 .]" 3
976 1 69 ILE H 1 69 ILE MG 1.800 . 4.300 2.807 1.800 3.748 . 0 0 "[ . 1 .]" 3
977 1 69 ILE H 1 69 ILE MD 1.800 . 6.500 4.041 2.052 4.669 . 0 0 "[ . 1 .]" 3
978 1 68 TYR QB 1 69 ILE HA 1.800 . 5.000 4.282 4.004 4.555 . 0 0 "[ . 1 .]" 3
979 1 18 ALA HA 1 19 PHE H 1.800 . 2.800 2.229 2.187 2.286 . 0 0 "[ . 1 .]" 3
980 1 19 PHE H 1 19 PHE HB3 1.800 . 4.000 3.553 3.519 3.603 . 0 0 "[ . 1 .]" 3
981 1 19 PHE H 1 19 PHE HB2 1.800 . 3.300 2.254 2.191 2.331 . 0 0 "[ . 1 .]" 3
982 1 18 ALA MB 1 19 PHE H 1.800 . 4.300 3.202 3.010 3.418 . 0 0 "[ . 1 .]" 3
983 1 19 PHE H 1 19 PHE QD 1.800 . 5.300 2.292 1.993 2.750 . 0 0 "[ . 1 .]" 3
984 1 19 PHE H 1 163 PHE QE 1.800 . 7.000 4.297 3.542 5.104 . 0 0 "[ . 1 .]" 3
985 1 166 CYS H 1 167 ILE H 1.800 . 5.000 4.466 4.411 4.522 . 0 0 "[ . 1 .]" 3
986 1 165 GLY HA3 1 166 CYS H 1.800 . 2.800 2.377 2.315 2.456 . 0 0 "[ . 1 .]" 3
987 1 165 GLY HA2 1 166 CYS H 1.800 . 2.800 2.872 2.811 2.917 0.117 11 0 "[ . 1 .]" 3
988 1 166 CYS H 1 166 CYS HB2 1.800 . 3.300 2.655 2.255 2.918 . 0 0 "[ . 1 .]" 3
989 1 48 LYS HB3 1 166 CYS H 1.800 . 6.500 2.311 1.864 3.641 . 0 0 "[ . 1 .]" 3
990 1 166 CYS HA 1 167 ILE HG13 1.800 . 4.000 3.593 3.441 3.725 . 0 0 "[ . 1 .]" 3
991 1 166 CYS HA 1 167 ILE HG12 1.800 . 5.000 5.182 5.092 5.274 0.274 6 0 "[ . 1 .]" 3
992 1 18 ALA MB 1 166 CYS HA 1.800 . 5.500 4.067 3.858 4.320 . 0 0 "[ . 1 .]" 3
993 1 48 LYS QD 1 166 CYS HA 1.800 . 6.000 5.312 5.033 5.459 . 0 0 "[ . 1 .]" 3
994 1 166 CYS HB3 1 167 ILE HG13 1.800 . 5.000 4.959 4.748 5.083 0.083 14 0 "[ . 1 .]" 3
995 1 166 CYS HB2 1 167 ILE HG13 1.800 . 5.000 4.856 4.716 5.029 0.029 7 0 "[ . 1 .]" 3
996 1 163 PHE QE 1 166 CYS H 1.800 . 6.500 3.157 2.866 3.523 . 0 0 "[ . 1 .]" 3
997 1 163 PHE HZ 1 166 CYS H 1.800 . 4.000 2.859 2.736 3.042 . 0 0 "[ . 1 .]" 3
998 1 19 PHE QD 1 166 CYS HA 1.800 . 7.000 3.127 2.508 4.329 . 0 0 "[ . 1 .]" 3
999 1 163 PHE HZ 1 166 CYS HA 1.800 . 5.000 4.989 4.434 5.139 0.139 7 0 "[ . 1 .]" 3
1000 1 52 THR HA 1 53 GLN H 1.800 . 4.000 3.441 3.214 3.544 . 0 0 "[ . 1 .]" 3
1001 1 52 THR HB 1 53 GLN H 1.800 . 4.000 3.860 3.289 4.205 0.205 14 0 "[ . 1 .]" 3
1002 1 53 GLN H 1 53 GLN HB3 1.800 . 4.000 2.851 2.666 3.105 . 0 0 "[ . 1 .]" 3
1003 1 53 GLN H 1 53 GLN HG3 1.800 . 5.000 4.477 4.431 4.571 . 0 0 "[ . 1 .]" 3
1004 1 53 GLN H 1 53 GLN HG2 1.800 . 5.000 4.803 4.679 4.903 . 0 0 "[ . 1 .]" 3
1005 1 52 THR MG 1 53 GLN H 1.800 . 6.500 4.068 3.540 4.429 . 0 0 "[ . 1 .]" 3
1006 1 51 ALA MB 1 53 GLN H 1.800 . 4.800 2.745 2.244 4.294 . 0 0 "[ . 1 .]" 3
1007 1 53 GLN HA 1 73 ILE HB 1.800 . 5.000 3.179 2.673 3.869 . 0 0 "[ . 1 .]" 3
1008 1 53 GLN HA 1 73 ILE MG 1.800 . 6.500 3.467 2.868 4.573 . 0 0 "[ . 1 .]" 3
1009 1 53 GLN HA 1 73 ILE MD 1.800 . 6.500 4.581 3.896 5.095 . 0 0 "[ . 1 .]" 3
1010 1 82 TYR QE 1 84 LEU H 1.800 . 6.000 4.557 3.734 5.130 . 0 0 "[ . 1 .]" 3
1011 1 83 ASP HA 1 84 LEU H 1.800 . 2.800 2.537 2.123 2.901 0.101 13 0 "[ . 1 .]" 3
1012 1 83 ASP QB 1 84 LEU H 1.800 . 4.000 3.793 3.219 3.909 . 0 0 "[ . 1 .]" 3
1013 1 84 LEU QB 1 135 LEU QB 1.800 . 5.000 2.595 1.995 3.363 . 0 0 "[ . 1 .]" 3
1014 1 84 LEU HA 1 84 LEU HG 1.800 . 4.000 3.532 3.463 3.648 . 0 0 "[ . 1 .]" 3
1015 1 84 LEU HG 1 112 ARG HA 1.800 . 5.000 4.954 4.295 5.105 0.105 7 0 "[ . 1 .]" 3
1016 1 84 LEU HG 1 128 SER QB 1.800 . 5.000 3.915 3.299 4.537 . 0 0 "[ . 1 .]" 3
1017 1 84 LEU MD1 1 128 SER QB 1.800 . 6.000 3.586 2.688 4.342 . 0 0 "[ . 1 .]" 3
1018 1 84 LEU MD2 1 128 SER QB 1.800 . 6.000 3.606 2.814 4.455 . 0 0 "[ . 1 .]" 3
1019 1 84 LEU H 1 84 LEU MD1 1.800 . 5.500 3.595 3.453 3.861 . 0 0 "[ . 1 .]" 3
1020 1 84 LEU H 1 84 LEU MD2 1.800 . 5.500 1.998 1.780 2.313 0.020 9 0 "[ . 1 .]" 3
1021 1 84 LEU HA 1 84 LEU MD1 1.800 . 6.500 4.006 3.896 4.141 . 0 0 "[ . 1 .]" 3
1022 1 84 LEU HA 1 84 LEU MD2 1.800 . 4.300 3.442 2.343 3.726 . 0 0 "[ . 1 .]" 3
1023 1 84 LEU QB 1 84 LEU MD1 1.800 . 4.300 1.952 1.857 2.069 . 0 0 "[ . 1 .]" 3
1024 1 84 LEU MD1 1 135 LEU QB 1.800 . 4.800 2.972 2.573 3.377 . 0 0 "[ . 1 .]" 3
1025 1 84 LEU MD2 1 135 LEU QB 1.800 . 5.500 3.849 2.600 4.101 . 0 0 "[ . 1 .]" 3
1026 1 84 LEU MD1 1 85 GLY HA3 1.800 . 6.500 4.178 3.401 5.386 . 0 0 "[ . 1 .]" 3
1027 1 187 PRO HA 1 188 THR H 1.800 . 3.300 3.130 2.234 3.548 0.248 9 0 "[ . 1 .]" 3
1028 1 188 THR H 1 188 THR HB 1.800 . 2.800 2.726 1.977 2.952 0.152 5 0 "[ . 1 .]" 3
1029 1 188 THR H 1 188 THR MG 1.800 . 5.500 3.420 1.883 4.009 . 0 0 "[ . 1 .]" 3
1030 1 187 PRO QB 1 188 THR H 1.800 . 3.300 2.404 1.771 3.069 0.029 6 0 "[ . 1 .]" 3
1031 1 169 ASP H 1 169 ASP HA 1.800 . 2.800 2.373 2.359 2.385 . 0 0 "[ . 1 .]" 3
1032 1 168 ARG HA 1 169 ASP H 1.800 . 3.300 2.377 2.269 2.509 . 0 0 "[ . 1 .]" 3
1033 1 168 ARG QB 1 169 ASP H 1.800 . 4.000 3.451 3.001 3.655 . 0 0 "[ . 1 .]" 3
1034 1 168 ARG QG 1 169 ASP HB2 1.800 . 4.000 2.512 2.102 3.299 . 0 0 "[ . 1 .]" 3
1035 1 169 ASP H 1 179 LEU MD2 1.800 . 5.500 3.854 2.884 4.568 . 0 0 "[ . 1 .]" 3
1036 1 169 ASP HB3 1 170 VAL QG 1.800 . 5.500 4.160 4.026 4.319 . 0 0 "[ . 1 .]" 3
1037 1 169 ASP HB2 1 170 VAL QG 1.800 . 5.500 3.922 3.842 3.995 . 0 0 "[ . 1 .]" 3
1038 1 169 ASP HB2 1 171 ILE MD 1.800 . 6.500 5.356 5.240 5.443 . 0 0 "[ . 1 .]" 3
1039 1 92 ARG HA 1 93 SER H 1.800 . 2.800 2.482 2.217 2.538 . 0 0 "[ . 1 .]" 3
1040 1 93 SER H 1 93 SER HB3 1.800 . 3.300 2.129 1.990 2.297 . 0 0 "[ . 1 .]" 3
1041 1 93 SER H 1 93 SER HB2 1.800 . 3.300 2.903 2.367 3.114 . 0 0 "[ . 1 .]" 3
1042 1 92 ARG HB3 1 93 SER H 1.800 . 4.000 2.287 2.099 2.864 . 0 0 "[ . 1 .]" 3
1043 1 92 ARG HB2 1 93 SER H 1.800 . 4.000 3.227 3.035 3.577 . 0 0 "[ . 1 .]" 3
1044 1 92 ARG HG3 1 93 SER H 1.800 . 5.000 4.860 4.756 5.122 0.122 6 0 "[ . 1 .]" 3
1045 1 92 ARG HG2 1 93 SER H 1.800 . 5.000 4.314 4.152 4.604 . 0 0 "[ . 1 .]" 3
1046 1 78 VAL MG2 1 93 SER H 1.800 . 5.500 4.305 3.627 4.804 . 0 0 "[ . 1 .]" 3
1047 1 78 VAL MG1 1 93 SER H 1.800 . 6.500 5.060 2.291 5.533 . 0 0 "[ . 1 .]" 3
1048 1 78 VAL HB 1 93 SER HB3 1.800 . 4.000 3.897 3.500 4.061 0.061 15 0 "[ . 1 .]" 3
1049 1 78 VAL HB 1 93 SER HB2 1.800 . 4.000 3.577 3.168 3.963 . 0 0 "[ . 1 .]" 3
1050 1 92 ARG HB2 1 93 SER HB3 1.800 . 5.000 5.178 5.113 5.271 0.271 13 0 "[ . 1 .]" 3
1051 1 92 ARG HB3 1 93 SER HB3 1.800 . 5.000 4.216 3.989 4.483 . 0 0 "[ . 1 .]" 3
1052 1 92 ARG HB3 1 93 SER HB2 1.800 . 5.000 5.169 5.103 5.224 0.224 14 0 "[ . 1 .]" 3
1053 1 64 GLU HA 1 65 ARG H 1.800 . 3.300 3.074 2.696 3.486 0.186 15 0 "[ . 1 .]" 3
1054 1 65 ARG H 1 66 SER HB3 1.800 . 2.800 2.929 2.895 2.995 0.195 7 0 "[ . 1 .]" 3
1055 1 65 ARG H 1 65 ARG HB3 1.800 . 4.000 3.544 2.619 3.708 . 0 0 "[ . 1 .]" 3
1056 1 65 ARG H 1 65 ARG HB2 1.800 . 4.000 3.930 3.515 4.028 0.028 6 0 "[ . 1 .]" 3
1057 1 65 ARG H 1 65 ARG HG3 1.800 . 4.000 3.190 2.429 4.331 0.331 14 0 "[ . 1 .]" 3
1058 1 65 ARG H 1 65 ARG HG2 1.800 . 4.000 2.682 2.079 4.125 0.125 14 0 "[ . 1 .]" 3
1059 1 46 SER HA 1 47 ILE H 1.800 . 2.800 2.359 2.263 2.456 . 0 0 "[ . 1 .]" 3
1060 1 46 SER HB3 1 47 ILE H 1.800 . 4.000 3.013 2.873 3.105 . 0 0 "[ . 1 .]" 3
1061 1 47 ILE H 1 47 ILE HB 1.800 . 4.000 3.887 3.766 3.936 . 0 0 "[ . 1 .]" 3
1062 1 47 ILE H 1 47 ILE QG 1.800 . 3.300 2.347 2.101 2.456 . 0 0 "[ . 1 .]" 3
1063 1 47 ILE H 1 103 THR MG 1.800 . 6.500 4.090 3.777 4.527 . 0 0 "[ . 1 .]" 3
1064 1 47 ILE H 1 47 ILE MG 1.800 . 5.500 2.552 2.417 2.739 . 0 0 "[ . 1 .]" 3
1065 1 47 ILE H 1 47 ILE MD 1.800 . 6.500 3.899 3.736 4.071 . 0 0 "[ . 1 .]" 3
1066 1 47 ILE HA 1 102 TRP HH2 1.800 . 4.000 3.677 3.446 3.930 . 0 0 "[ . 1 .]" 3
1067 1 47 ILE HA 1 47 ILE QG 1.800 . 4.000 3.282 3.264 3.319 . 0 0 "[ . 1 .]" 3
1068 1 47 ILE HA 1 167 ILE QG 1.800 . 4.000 2.783 2.470 3.008 . 0 0 "[ . 1 .]" 3
1069 1 47 ILE MD 1 167 ILE MD 1.800 . 7.000 4.564 4.306 4.702 . 0 0 "[ . 1 .]" 3
1070 1 47 ILE MD 1 97 ILE HA 1.800 . 6.500 4.853 4.078 5.318 . 0 0 "[ . 1 .]" 3
1071 1 47 ILE MD 1 48 LYS HA 1.800 . 6.500 4.797 3.047 5.263 . 0 0 "[ . 1 .]" 3
1072 1 46 SER HB3 1 47 ILE MD 1.800 . 7.500 6.284 6.222 6.409 . 0 0 "[ . 1 .]" 3
1073 1 47 ILE MD 1 167 ILE QG 1.800 . 5.500 3.760 3.470 3.958 . 0 0 "[ . 1 .]" 3
1074 1 46 SER HB3 1 47 ILE MG 1.800 . 7.500 4.510 4.406 4.776 . 0 0 "[ . 1 .]" 3
1075 1 47 ILE MG 1 167 ILE HA 1.800 . 7.500 2.958 2.505 3.283 . 0 0 "[ . 1 .]" 3
1076 1 47 ILE MD 1 163 PHE QE 1.800 . 6.800 3.414 2.181 3.909 . 0 0 "[ . 1 .]" 3
1077 1 47 ILE MG 1 163 PHE QE 1.800 . 8.500 4.167 3.722 4.551 . 0 0 "[ . 1 .]" 3
1078 1 41 ASN HA 1 42 HIS H 1.800 . 2.800 2.312 2.208 2.414 . 0 0 "[ . 1 .]" 3
1079 1 42 HIS H 1 172 VAL QG 1.800 . 5.500 3.530 3.122 3.889 . 0 0 "[ . 1 .]" 3
1080 1 153 HIS HA 1 154 LYS H 1.800 . 4.000 3.420 2.166 3.570 . 0 0 "[ . 1 .]" 3
1081 1 153 HIS QB 1 154 LYS H 1.800 . 3.300 2.026 1.739 2.969 0.061 1 0 "[ . 1 .]" 3
1082 1 154 LYS H 1 154 LYS HB3 1.800 . 2.800 2.757 2.214 3.025 0.225 12 0 "[ . 1 .]" 3
1083 1 154 LYS H 1 154 LYS HB2 1.800 . 4.000 3.738 3.499 3.947 . 0 0 "[ . 1 .]" 3
1084 1 154 LYS H 1 154 LYS QG 1.800 . 4.000 2.520 1.793 3.452 0.007 11 0 "[ . 1 .]" 3
1085 1 153 HIS HD2 1 154 LYS H 1.800 . 5.500 4.239 3.040 4.951 . 0 0 "[ . 1 .]" 3
1086 1 154 LYS HA 1 154 LYS QG 1.800 . 3.800 3.333 3.269 3.504 . 0 0 "[ . 1 .]" 3
1087 1 154 LYS HA 1 154 LYS QE 1.800 . 6.000 4.505 2.616 5.376 . 0 0 "[ . 1 .]" 3
1088 1 78 VAL HA 1 79 GLN H 1.800 . 2.800 2.585 2.385 2.760 . 0 0 "[ . 1 .]" 3
1089 1 71 LEU MD2 1 79 GLN H 1.800 . 5.500 4.273 4.029 4.500 . 0 0 "[ . 1 .]" 3
1090 1 44 GLU HA 1 45 LEU H 1.800 . 2.800 2.274 2.244 2.323 . 0 0 "[ . 1 .]" 3
1091 1 44 GLU QG 1 45 LEU H 1.800 . 5.000 4.194 3.952 4.412 . 0 0 "[ . 1 .]" 3
1092 1 44 GLU HB2 1 45 LEU H 1.800 . 4.000 3.985 3.739 4.085 0.085 3 0 "[ . 1 .]" 3
1093 1 44 GLU HB3 1 45 LEU H 1.800 . 5.000 3.111 2.973 3.359 . 0 0 "[ . 1 .]" 3
1094 1 45 LEU H 1 45 LEU HG 1.800 . 4.000 2.767 2.574 2.947 . 0 0 "[ . 1 .]" 3
1095 1 45 LEU H 1 105 ILE HB 1.800 . 4.000 3.966 3.691 4.130 0.130 5 0 "[ . 1 .]" 3
1096 1 45 LEU H 1 105 ILE MG 1.800 . 6.500 5.221 5.057 5.359 . 0 0 "[ . 1 .]" 3
1097 1 45 LEU H 1 45 LEU MD2 1.800 . 4.800 2.387 2.100 2.710 . 0 0 "[ . 1 .]" 3
1098 1 45 LEU HA 1 45 LEU MD1 1.800 . 6.500 4.057 4.010 4.104 . 0 0 "[ . 1 .]" 3
1099 1 45 LEU HA 1 45 LEU MD2 1.800 . 5.500 3.552 3.467 3.643 . 0 0 "[ . 1 .]" 3
1100 1 45 LEU HB3 1 170 VAL QG 1.800 . 4.800 2.259 1.992 2.505 . 0 0 "[ . 1 .]" 3
1101 1 45 LEU HB2 1 170 VAL QG 1.800 . 4.800 1.761 1.676 1.916 0.124 1 0 "[ . 1 .]" 3
1102 1 45 LEU MD1 1 56 ILE MG 1.800 . 7.000 3.010 2.466 3.382 . 0 0 "[ . 1 .]" 3
1103 1 45 LEU MD1 1 47 ILE MG 1.800 . 6.300 2.527 2.129 2.893 . 0 0 "[ . 1 .]" 3
1104 1 45 LEU MD1 1 56 ILE HA 1.800 . 7.500 5.889 5.443 6.314 . 0 0 "[ . 1 .]" 3
1105 1 44 GLU HA 1 45 LEU MD1 1.800 . 7.500 5.089 5.022 5.169 . 0 0 "[ . 1 .]" 3
1106 1 45 LEU MD1 1 170 VAL HA 1.800 . 6.500 4.667 4.473 5.033 . 0 0 "[ . 1 .]" 3
1107 1 45 LEU MD2 1 170 VAL HA 1.800 . 5.500 3.819 3.502 4.167 . 0 0 "[ . 1 .]" 3
1108 1 44 GLU HA 1 45 LEU MD2 1.800 . 4.800 2.431 2.285 2.739 . 0 0 "[ . 1 .]" 3
1109 1 43 PHE HA 1 45 LEU MD2 1.800 . 6.500 3.879 3.625 4.116 . 0 0 "[ . 1 .]" 3
1110 1 43 PHE QB 1 45 LEU MD2 1.800 . 5.800 2.839 2.658 3.049 . 0 0 "[ . 1 .]" 3
1111 1 44 GLU HG2 1 45 LEU MD2 1.800 . 6.500 5.049 4.771 5.229 . 0 0 "[ . 1 .]" 3
1112 1 45 LEU MD2 1 57 LEU QD 1.800 . 7.200 3.400 3.216 3.594 . 0 0 "[ . 1 .]" 3
1113 1 186 ASN H 1 186 ASN HA 1.800 . 2.800 2.954 2.931 2.975 0.175 14 0 "[ . 1 .]" 3
1114 1 185 ASN HA 1 186 ASN H 1.800 . 3.300 3.435 3.388 3.468 0.168 13 0 "[ . 1 .]" 3
1115 1 185 ASN HB3 1 186 ASN H 1.800 . 5.000 2.981 2.801 3.262 . 0 0 "[ . 1 .]" 3
1116 1 186 ASN H 1 186 ASN HB3 1.800 . 4.000 2.670 2.206 2.903 . 0 0 "[ . 1 .]" 3
1117 1 186 ASN H 1 186 ASN HB2 1.800 . 4.000 2.536 2.222 3.256 . 0 0 "[ . 1 .]" 3
1118 1 183 ALA MB 1 186 ASN H 1.800 . 7.000 4.496 4.175 4.968 . 0 0 "[ . 1 .]" 3
1119 1 186 ASN HA 1 187 PRO QD 1.800 . 2.800 2.111 2.008 2.276 . 0 0 "[ . 1 .]" 3
1120 1 161 THR HA 1 162 GLY H 1.800 . 3.000 2.361 2.289 2.427 . 0 0 "[ . 1 .]" 3
1121 1 161 THR MG 1 162 GLY H 1.800 . 4.800 3.556 3.403 3.673 . 0 0 "[ . 1 .]" 3
1122 1 39 GLN HA 1 40 SER H 1.800 . 3.300 3.394 3.151 3.544 0.244 13 0 "[ . 1 .]" 3
1123 1 38 LEU MD1 1 40 SER H 1.800 . 6.500 4.246 2.416 5.388 . 0 0 "[ . 1 .]" 3
1124 1 38 LEU MD2 1 40 SER H 1.800 . 6.500 4.255 1.842 5.186 . 0 0 "[ . 1 .]" 3
1125 1 40 SER HB3 1 42 HIS HE1 1.800 . 5.000 4.141 2.634 4.935 . 0 0 "[ . 1 .]" 3
1126 1 40 SER HB2 1 42 HIS HE1 1.800 . 5.000 4.010 2.569 5.016 0.016 2 0 "[ . 1 .]" 3
1127 1 40 SER HB3 1 110 VAL MG1 1.800 . 4.800 3.719 3.405 3.874 . 0 0 "[ . 1 .]" 3
1128 1 40 SER HB2 1 110 VAL MG1 1.800 . 4.800 3.425 2.942 3.860 . 0 0 "[ . 1 .]" 3
1129 1 39 GLN QB 1 40 SER HB3 1.800 . 6.000 4.146 3.229 5.264 . 0 0 "[ . 1 .]" 3
1130 1 39 GLN QB 1 40 SER HB2 1.800 . 6.000 4.752 3.411 5.341 . 0 0 "[ . 1 .]" 3
1131 1 39 GLN QG 1 40 SER HB3 1.800 . 6.000 3.232 2.018 5.272 . 0 0 "[ . 1 .]" 3
1132 1 39 GLN QG 1 40 SER HB2 1.800 . 6.000 3.772 1.988 4.520 . 0 0 "[ . 1 .]" 3
1133 1 108 TYR QD 1 109 ARG H 1.800 . 7.000 4.371 4.003 4.807 . 0 0 "[ . 1 .]" 3
1134 1 108 TYR HA 1 109 ARG H 1.800 . 2.800 2.206 2.143 2.286 . 0 0 "[ . 1 .]" 3
1135 1 108 TYR QB 1 109 ARG H 1.800 . 4.000 3.634 3.569 3.667 . 0 0 "[ . 1 .]" 3
1136 1 107 ALA MB 1 109 ARG H 1.800 . 5.500 4.385 4.127 4.585 . 0 0 "[ . 1 .]" 3
1137 1 109 ARG H 1 110 VAL MG2 1.800 . 5.500 4.089 3.726 4.384 . 0 0 "[ . 1 .]" 3
1138 1 109 ARG HA 1 109 ARG HB2 1.800 . 2.800 2.500 2.308 2.812 0.012 13 0 "[ . 1 .]" 3
1139 1 109 ARG HA 1 109 ARG QD 1.800 . 5.000 3.451 2.791 4.308 . 0 0 "[ . 1 .]" 3
1140 1 109 ARG HD3 1 111 GLN HA 1.800 . 5.000 4.376 3.242 5.048 0.048 13 0 "[ . 1 .]" 3
1141 1 109 ARG HD2 1 111 GLN HA 1.800 . 5.000 4.476 3.165 5.061 0.061 1 0 "[ . 1 .]" 3
1142 1 83 ASP HA 1 86 SER H 1.800 . 4.000 3.840 3.181 4.095 0.095 12 0 "[ . 1 .]" 3
1143 1 83 ASP QB 1 86 SER H 1.800 . 5.500 4.029 3.036 4.965 . 0 0 "[ . 1 .]" 3
1144 1 57 LEU MD2 1 59 SER HB3 1.800 . 5.000 3.367 2.613 4.049 . 0 0 "[ . 1 .]" 3
1145 1 57 LEU MD2 1 59 SER HB2 1.800 . 5.000 4.003 3.503 4.190 . 0 0 "[ . 1 .]" 3
1146 1 59 SER QB 1 69 ILE MG 1.800 . 5.200 3.301 1.851 3.795 . 0 0 "[ . 1 .]" 3
1147 1 59 SER HA 1 142 TRP HB2 1.800 . 5.000 4.123 3.856 4.656 . 0 0 "[ . 1 .]" 3
1148 1 59 SER HA 1 60 GLY QA 1.800 . 5.000 4.016 3.962 4.218 . 0 0 "[ . 1 .]" 3
1149 1 58 TRP HD1 1 59 SER HA 1.800 . 6.000 4.117 3.634 4.734 . 0 0 "[ . 1 .]" 3
1150 1 45 LEU HA 1 46 SER H 1.800 . 2.800 2.336 2.291 2.394 . 0 0 "[ . 1 .]" 3
1151 1 46 SER H 1 46 SER HB3 1.800 . 4.000 3.766 3.742 3.824 . 0 0 "[ . 1 .]" 3
1152 1 46 SER H 1 46 SER HB2 1.800 . 3.300 2.785 2.576 2.979 . 0 0 "[ . 1 .]" 3
1153 1 46 SER H 1 169 ASP HB2 1.800 . 5.000 3.691 3.516 3.895 . 0 0 "[ . 1 .]" 3
1154 1 45 LEU HB3 1 46 SER H 1.800 . 4.000 3.983 3.793 4.062 0.062 4 0 "[ . 1 .]" 3
1155 1 45 LEU HB2 1 46 SER H 1.800 . 3.300 2.827 2.577 2.944 . 0 0 "[ . 1 .]" 3
1156 1 45 LEU HG 1 46 SER H 1.800 . 4.000 4.049 4.019 4.089 0.089 14 0 "[ . 1 .]" 3
1157 1 46 SER H 1 170 VAL QG 1.800 . 5.500 2.437 2.084 2.852 . 0 0 "[ . 1 .]" 3
1158 1 46 SER H 1 47 ILE MG 1.800 . 6.500 3.624 3.454 3.955 . 0 0 "[ . 1 .]" 3
1159 1 45 LEU MD1 1 46 SER H 1.800 . 5.500 4.170 3.849 4.404 . 0 0 "[ . 1 .]" 3
1160 1 46 SER HA 1 105 ILE HB 1.800 . 5.000 4.883 4.427 5.081 0.081 7 0 "[ . 1 .]" 3
1161 1 46 SER HA 1 105 ILE MG 1.800 . 6.500 5.441 5.251 5.556 . 0 0 "[ . 1 .]" 3
1162 1 46 SER HA 1 47 ILE MG 1.800 . 6.500 2.965 2.834 3.326 . 0 0 "[ . 1 .]" 3
1163 1 45 LEU MD1 1 46 SER HA 1.800 . 7.000 4.586 4.310 4.842 . 0 0 "[ . 1 .]" 3
1164 1 46 SER HB3 1 102 TRP HE3 1.800 . 3.300 2.692 2.462 2.908 . 0 0 "[ . 1 .]" 3
1165 1 46 SER HB2 1 102 TRP HE3 1.800 . 4.000 2.795 2.555 3.264 . 0 0 "[ . 1 .]" 3
1166 1 46 SER HB3 1 102 TRP HZ3 1.800 . 4.000 4.083 4.040 4.147 0.147 6 0 "[ . 1 .]" 3
1167 1 46 SER HB2 1 102 TRP HZ3 1.800 . 4.000 3.193 2.852 3.861 . 0 0 "[ . 1 .]" 3
1168 1 46 SER HB3 1 104 HIS HA 1.800 . 5.000 3.197 2.896 3.482 . 0 0 "[ . 1 .]" 3
1169 1 46 SER HB3 1 102 TRP QB 1.800 . 5.000 3.505 3.094 3.790 . 0 0 "[ . 1 .]" 3
1170 1 46 SER HB2 1 102 TRP QB 1.800 . 5.000 4.211 4.151 4.269 . 0 0 "[ . 1 .]" 3
1171 1 46 SER HB3 1 169 ASP HB2 1.800 . 5.000 4.900 4.450 5.075 0.075 10 0 "[ . 1 .]" 3
1172 1 46 SER HB2 1 169 ASP HB2 1.800 . 5.000 3.604 3.321 3.988 . 0 0 "[ . 1 .]" 3
1173 1 85 GLY HA3 1 132 ALA MB 1.800 . 5.500 3.123 1.872 4.281 . 0 0 "[ . 1 .]" 3
1174 1 85 GLY HA2 1 132 ALA MB 1.800 . 5.500 3.505 2.680 4.423 . 0 0 "[ . 1 .]" 3
1175 1 125 THR H 1 125 THR HB 1.800 . 4.000 3.690 3.606 3.863 . 0 0 "[ . 1 .]" 3
1176 1 124 ILE HA 1 125 THR H 1.800 . 2.800 2.259 2.224 2.325 . 0 0 "[ . 1 .]" 3
1177 1 124 ILE HB 1 125 THR H 1.800 . 5.000 4.521 4.381 4.661 . 0 0 "[ . 1 .]" 3
1178 1 124 ILE QG 1 125 THR H 1.800 . 5.000 4.111 2.696 4.457 . 0 0 "[ . 1 .]" 3
1179 1 125 THR H 1 125 THR MG 1.800 . 4.300 2.326 1.960 2.552 . 0 0 "[ . 1 .]" 3
1180 1 124 ILE MG 1 125 THR H 1.800 . 4.300 3.293 3.020 3.478 . 0 0 "[ . 1 .]" 3
1181 1 91 LEU QD 1 125 THR H 1.800 . 5.500 3.705 3.142 4.106 . 0 0 "[ . 1 .]" 3
1182 1 125 THR HA 1 125 THR HB 1.800 . 2.800 2.397 2.355 2.450 . 0 0 "[ . 1 .]" 3
1183 1 125 THR HA 1 126 GLY QA 1.800 . 5.000 4.001 3.959 4.023 . 0 0 "[ . 1 .]" 3
1184 1 80 MET ME 1 125 THR HA 1.800 . 6.500 4.244 3.953 4.560 . 0 0 "[ . 1 .]" 3
1185 1 125 THR HA 1 125 THR MG 1.800 . 4.300 2.424 2.325 2.513 . 0 0 "[ . 1 .]" 3
1186 1 91 LEU QD 1 125 THR HA 1.800 . 5.500 2.095 1.723 2.423 0.077 7 0 "[ . 1 .]" 3
1187 1 115 SER HB2 1 125 THR HB 1.800 . 5.000 3.153 2.556 3.751 . 0 0 "[ . 1 .]" 3
1188 1 114 GLY H 1 125 THR HB 1.800 . 5.000 4.874 4.416 5.048 0.048 12 0 "[ . 1 .]" 3
1189 1 91 LEU QD 1 125 THR HB 1.800 . 6.500 3.608 3.311 3.846 . 0 0 "[ . 1 .]" 3
1190 1 124 ILE H 1 125 THR MG 1.800 . 6.500 3.722 3.509 4.041 . 0 0 "[ . 1 .]" 3
1191 1 115 SER H 1 125 THR MG 1.800 . 6.500 4.640 4.316 5.248 . 0 0 "[ . 1 .]" 3
1192 1 114 GLY HA3 1 115 SER H 1.800 . 3.300 2.836 2.690 2.972 . 0 0 "[ . 1 .]" 3
1193 1 114 GLY HA2 1 115 SER H 1.800 . 2.800 2.399 2.305 2.492 . 0 0 "[ . 1 .]" 3
1194 1 115 SER H 1 115 SER HB2 1.800 . 4.000 3.219 2.820 3.575 . 0 0 "[ . 1 .]" 3
1195 1 80 MET ME 1 115 SER H 1.800 . 5.500 2.107 1.804 2.642 . 0 0 "[ . 1 .]" 3
1196 1 91 LEU QD 1 115 SER H 1.800 . 5.500 3.008 2.653 3.503 . 0 0 "[ . 1 .]" 3
1197 1 91 LEU QD 1 115 SER HA 1.800 . 5.500 2.451 1.776 3.109 0.024 7 0 "[ . 1 .]" 3
1198 1 115 SER HA 1 125 THR MG 1.800 . 4.800 2.351 1.846 2.967 . 0 0 "[ . 1 .]" 3
1199 1 80 MET ME 1 115 SER HA 1.800 . 6.500 3.285 2.973 3.606 . 0 0 "[ . 1 .]" 3
1200 1 115 SER HB3 1 116 LEU H 1.800 . 4.000 3.880 3.595 4.082 0.082 8 0 "[ . 1 .]" 3
1201 1 108 TYR QD 1 115 SER HB3 1.800 . 7.000 3.078 2.688 3.529 . 0 0 "[ . 1 .]" 3
1202 1 108 TYR QD 1 115 SER HB2 1.800 . 7.000 4.026 3.456 4.439 . 0 0 "[ . 1 .]" 3
1203 1 108 TYR QE 1 115 SER HB3 1.800 . 7.000 3.612 2.727 5.509 . 0 0 "[ . 1 .]" 3
1204 1 108 TYR QE 1 115 SER HB2 1.800 . 7.000 4.085 3.033 6.170 . 0 0 "[ . 1 .]" 3
1205 1 115 SER HB3 1 125 THR HB 1.800 . 5.000 4.762 4.239 5.068 0.068 5 0 "[ . 1 .]" 3
1206 1 115 SER HB3 1 125 THR MG 1.800 . 5.500 3.509 3.193 4.107 . 0 0 "[ . 1 .]" 3
1207 1 115 SER HB2 1 125 THR MG 1.800 . 5.500 2.361 1.919 3.130 . 0 0 "[ . 1 .]" 3
1208 1 91 LEU QD 1 115 SER HB3 1.800 . 6.500 4.396 3.957 4.936 . 0 0 "[ . 1 .]" 3
1209 1 114 GLY H 1 114 GLY HA3 1.800 . 2.800 2.463 2.421 2.530 . 0 0 "[ . 1 .]" 3
1210 1 91 LEU QD 1 114 GLY HA3 1.800 . 5.500 2.350 1.963 2.608 . 0 0 "[ . 1 .]" 3
1211 1 91 LEU QD 1 114 GLY HA2 1.800 . 5.500 3.498 3.261 3.681 . 0 0 "[ . 1 .]" 3
1212 1 93 SER HA 1 94 THR H 1.800 . 2.800 2.363 2.302 2.476 . 0 0 "[ . 1 .]" 3
1213 1 93 SER QB 1 94 THR H 1.800 . 5.000 3.537 3.343 3.703 . 0 0 "[ . 1 .]" 3
1214 1 94 THR H 1 94 THR MG 1.800 . 4.800 2.901 1.930 3.787 . 0 0 "[ . 1 .]" 3
1215 1 94 THR H 1 95 VAL QG 1.800 . 5.500 3.341 2.536 3.965 . 0 0 "[ . 1 .]" 3
1216 1 94 THR HB 1 124 ILE MD 1.800 . 6.500 3.101 1.707 4.864 0.093 8 0 "[ . 1 .]" 3
1217 1 77 PHE QD 1 94 THR HA 1.800 . 6.000 3.985 3.116 4.978 . 0 0 "[ . 1 .]" 3
1218 1 77 PHE QD 1 94 THR MG 1.800 . 8.500 5.326 4.700 6.091 . 0 0 "[ . 1 .]" 3
1219 1 66 SER H 1 66 SER HA 1.800 . 2.800 2.947 2.893 2.966 0.166 4 0 "[ . 1 .]" 3
1220 1 65 ARG HA 1 66 SER H 1.800 . 3.300 2.836 2.542 3.035 . 0 0 "[ . 1 .]" 3
1221 1 66 SER H 1 66 SER HB3 1.800 . 4.000 2.329 1.982 2.643 . 0 0 "[ . 1 .]" 3
1222 1 65 ARG HB3 1 66 SER H 1.800 . 4.500 4.545 3.864 4.628 0.128 8 0 "[ . 1 .]" 3
1223 1 65 ARG HB2 1 66 SER H 1.800 . 4.500 4.366 4.297 4.544 0.044 14 0 "[ . 1 .]" 3
1224 1 65 ARG HG3 1 66 SER H 1.800 . 4.500 4.145 3.373 4.558 0.058 1 0 "[ . 1 .]" 3
1225 1 65 ARG HG2 1 66 SER H 1.800 . 4.500 4.274 3.330 4.556 0.056 5 0 "[ . 1 .]" 3
1226 1 66 SER HA 1 67 ASP HA 1.800 . 4.500 4.490 4.425 4.648 0.148 1 0 "[ . 1 .]" 3
1227 1 65 ARG HA 1 66 SER HA 1.800 . 4.500 4.486 4.380 4.644 0.144 14 0 "[ . 1 .]" 3
1228 1 66 SER HA 1 66 SER HB3 1.800 . 2.800 2.818 2.709 2.906 0.106 2 0 "[ . 1 .]" 3
1229 1 65 ARG QB 1 66 SER HA 1.800 . 5.000 4.451 4.399 4.545 . 0 0 "[ . 1 .]" 3
1230 1 65 ARG QG 1 66 SER HA 1.800 . 5.000 4.094 3.713 4.369 . 0 0 "[ . 1 .]" 3
1231 1 63 LEU QD 1 66 SER HB2 1.800 . 7.400 3.570 2.134 4.671 . 0 0 "[ . 1 .]" 3
1232 1 63 LEU QB 1 66 SER HB3 1.800 . 4.000 2.351 1.816 3.406 . 0 0 "[ . 1 .]" 3
1233 1 63 LEU QB 1 66 SER HB2 1.800 . 4.000 3.408 3.109 3.666 . 0 0 "[ . 1 .]" 3
1234 1 185 ASN H 1 185 ASN HB3 1.800 . 2.800 2.858 2.727 2.930 0.130 1 0 "[ . 1 .]" 3
1235 1 183 ALA MB 1 185 ASN H 1.800 . 5.500 4.160 4.119 4.209 . 0 0 "[ . 1 .]" 3
1236 1 182 ASP HA 1 185 ASN HB2 1.800 . 3.300 3.462 3.402 3.506 0.206 8 0 "[ . 1 .]" 3
1237 1 24 TYR QD 1 185 ASN HB2 1.800 . 8.000 7.020 5.916 7.480 . 0 0 "[ . 1 .]" 3
1238 1 27 TYR QD 1 182 ASP H 1.800 . 7.000 4.064 2.688 5.254 . 0 0 "[ . 1 .]" 3
1239 1 181 GLU HA 1 182 ASP H 1.800 . 4.000 3.587 3.568 3.603 . 0 0 "[ . 1 .]" 3
1240 1 181 GLU HB3 1 182 ASP H 1.800 . 5.000 2.964 2.793 3.147 . 0 0 "[ . 1 .]" 3
1241 1 181 GLU HB2 1 182 ASP H 1.800 . 5.000 2.497 2.249 2.694 . 0 0 "[ . 1 .]" 3
1242 1 27 TYR QD 1 182 ASP HA 1.800 . 7.000 4.492 3.692 5.183 . 0 0 "[ . 1 .]" 3
1243 1 74 VAL MG1 1 92 ARG HE 1.800 . 5.500 3.278 1.802 4.611 . 0 0 "[ . 1 .]" 3
1244 1 100 ASN HA 1 101 HIS H 1.800 . 4.000 3.091 2.880 3.278 . 0 0 "[ . 1 .]" 3
1245 1 48 LYS HA 1 101 HIS H 1.800 . 4.500 3.616 3.199 4.012 . 0 0 "[ . 1 .]" 3
1246 1 101 HIS H 1 101 HIS HB3 1.800 . 4.000 3.558 3.458 3.717 . 0 0 "[ . 1 .]" 3
1247 1 101 HIS H 1 101 HIS HB2 1.800 . 4.000 2.303 2.162 2.516 . 0 0 "[ . 1 .]" 3
1248 1 101 HIS HA 1 101 HIS HD2 1.800 . 5.000 4.319 2.978 4.816 . 0 0 "[ . 1 .]" 3
1249 1 101 HIS HA 1 101 HIS HE1 1.800 . 5.000 4.524 4.250 5.103 0.103 4 0 "[ . 1 .]" 3
1250 1 101 HIS HA 1 101 HIS HB2 1.800 . 2.800 2.978 2.959 3.012 0.212 13 0 "[ . 1 .]" 3
1251 1 48 LYS HE3 1 101 HIS HA 1.800 . 5.000 3.973 3.408 4.671 . 0 0 "[ . 1 .]" 3
1252 1 48 LYS HE2 1 101 HIS HA 1.800 . 5.000 3.166 2.324 4.332 . 0 0 "[ . 1 .]" 3
1253 1 48 LYS QD 1 101 HIS HA 1.800 . 5.000 4.428 4.215 4.552 . 0 0 "[ . 1 .]" 3
1254 1 118 VAL HA 1 119 GLY H 1.800 . 2.800 2.267 2.159 2.405 . 0 0 "[ . 1 .]" 3
1255 1 118 VAL HB 1 119 GLY H 1.800 . 5.000 4.449 3.821 4.637 . 0 0 "[ . 1 .]" 3
1256 1 118 VAL QG 1 119 GLY H 1.800 . 5.700 3.305 3.083 3.678 . 0 0 "[ . 1 .]" 3
1257 1 103 THR MG 1 119 GLY H 1.800 . 4.800 4.011 3.899 4.108 . 0 0 "[ . 1 .]" 3
1258 1 145 GLY HA2 1 146 MET H 1.800 . 2.800 3.008 2.835 3.135 0.335 8 0 "[ . 1 .]" 3
1259 1 145 GLY HA3 1 146 MET H 1.800 . 3.300 2.195 2.108 2.353 . 0 0 "[ . 1 .]" 3
1260 1 146 MET H 1 146 MET HG3 1.800 . 5.000 4.886 4.381 5.059 0.059 1 0 "[ . 1 .]" 3
1261 1 146 MET H 1 146 MET HG2 1.800 . 5.000 4.325 3.592 4.976 . 0 0 "[ . 1 .]" 3
1262 1 146 MET H 1 146 MET HB3 1.800 . 4.000 3.499 3.223 3.640 . 0 0 "[ . 1 .]" 3
1263 1 146 MET H 1 146 MET HB2 1.800 . 3.300 2.722 2.492 2.792 . 0 0 "[ . 1 .]" 3
1264 1 146 MET H 1 146 MET ME 1.800 . 6.500 4.056 3.938 4.131 . 0 0 "[ . 1 .]" 3
1265 1 24 TYR QD 1 146 MET HA 1.800 . 7.000 4.067 2.884 4.911 . 0 0 "[ . 1 .]" 3
1266 1 24 TYR QE 1 146 MET HA 1.800 . 7.000 5.524 3.462 6.457 . 0 0 "[ . 1 .]" 3
1267 1 145 GLY HA3 1 146 MET HA 1.800 . 4.500 4.362 4.309 4.388 . 0 0 "[ . 1 .]" 3
1268 1 55 LEU QD 1 146 MET QB 1.800 . 5.500 2.407 1.713 2.915 0.087 9 0 "[ . 1 .]" 3
1269 1 58 TRP HB2 1 146 MET QB 1.800 . 6.000 5.107 4.113 5.503 . 0 0 "[ . 1 .]" 3
1270 1 55 LEU QD 1 146 MET HG3 1.800 . 4.800 3.510 2.736 3.746 . 0 0 "[ . 1 .]" 3
1271 1 55 LEU QD 1 146 MET HG2 1.800 . 4.800 3.076 2.685 3.682 . 0 0 "[ . 1 .]" 3
1272 1 146 MET HA 1 146 MET HG3 1.800 . 4.000 3.295 2.245 3.641 . 0 0 "[ . 1 .]" 3
1273 1 146 MET HA 1 146 MET HG2 1.800 . 3.300 2.765 2.430 3.494 0.194 15 0 "[ . 1 .]" 3
1274 1 58 TRP HB2 1 146 MET HG3 1.800 . 5.000 4.400 3.165 5.032 0.032 13 0 "[ . 1 .]" 3
1275 1 58 TRP HB2 1 146 MET HG2 1.800 . 5.000 4.053 2.788 5.036 0.036 6 0 "[ . 1 .]" 3
1276 1 55 LEU QD 1 146 MET ME 1.800 . 8.000 3.757 3.070 4.656 . 0 0 "[ . 1 .]" 3
1277 1 146 MET QB 1 146 MET ME 1.800 . 4.300 3.192 3.001 3.284 . 0 0 "[ . 1 .]" 3
1278 1 146 MET ME 1 149 LEU MD1 1.800 . 5.800 3.930 3.595 4.068 . 0 0 "[ . 1 .]" 3
1279 1 146 MET ME 1 147 GLU QB 1.800 . 5.300 3.780 3.529 3.978 . 0 0 "[ . 1 .]" 3
1280 1 142 TRP HB3 1 146 MET ME 1.800 . 6.500 1.913 1.717 2.184 0.083 4 0 "[ . 1 .]" 3
1281 1 142 TRP HB2 1 146 MET ME 1.800 . 5.500 2.340 1.787 3.415 0.013 13 0 "[ . 1 .]" 3
1282 1 58 TRP H 1 146 MET ME 1.800 . 7.500 4.325 3.387 5.478 . 0 0 "[ . 1 .]" 3
1283 1 57 LEU HA 1 146 MET ME 1.800 . 7.500 5.192 4.384 5.994 . 0 0 "[ . 1 .]" 3
1284 1 143 LEU HA 1 146 MET ME 1.800 . 6.000 4.913 4.520 5.118 . 0 0 "[ . 1 .]" 3
1285 1 145 GLY HA3 1 146 MET ME 1.800 . 6.500 4.789 4.542 4.960 . 0 0 "[ . 1 .]" 3
1286 1 144 GLY HA3 1 146 MET ME 1.800 . 7.500 6.092 5.474 6.228 . 0 0 "[ . 1 .]" 3
1287 1 20 ASP HA 1 21 GLY H 1.800 . 4.000 3.338 3.262 3.454 . 0 0 "[ . 1 .]" 3
1288 1 21 GLY H 1 23 THR HB 1.800 . 5.000 4.100 3.380 4.988 . 0 0 "[ . 1 .]" 3
1289 1 20 ASP QB 1 21 GLY H 1.800 . 4.000 3.748 3.667 3.823 . 0 0 "[ . 1 .]" 3
1290 1 21 GLY H 1 23 THR MG 1.800 . 6.500 4.396 2.668 5.376 . 0 0 "[ . 1 .]" 3
1291 1 21 GLY H 1 164 ILE MD 1.800 . 6.000 4.652 3.860 5.023 . 0 0 "[ . 1 .]" 3
1292 1 21 GLY HA2 1 164 ILE QG 1.800 . 4.000 2.661 2.247 3.050 . 0 0 "[ . 1 .]" 3
1293 1 21 GLY HA3 1 164 ILE QG 1.800 . 4.000 2.502 2.122 2.875 . 0 0 "[ . 1 .]" 3
1294 1 21 GLY HA2 1 164 ILE HB 1.800 . 5.000 4.949 4.411 5.109 0.109 1 0 "[ . 1 .]" 3
1295 1 126 GLY HA3 1 127 SER H 1.800 . 2.800 2.789 2.437 2.947 0.147 8 0 "[ . 1 .]" 3
1296 1 126 GLY HA2 1 127 SER H 1.800 . 2.800 2.523 2.342 2.855 0.055 12 0 "[ . 1 .]" 3
1297 1 127 SER H 1 127 SER HB3 1.800 . 4.000 3.879 3.756 3.992 . 0 0 "[ . 1 .]" 3
1298 1 89 VAL MG2 1 127 SER H 1.800 . 4.800 2.900 2.195 3.480 . 0 0 "[ . 1 .]" 3
1299 1 127 SER HA 1 127 SER HB2 1.800 . 2.800 2.962 2.955 2.966 0.166 13 0 "[ . 1 .]" 3
1300 1 113 GLU QB 1 127 SER HA 1.800 . 5.000 3.607 3.475 3.696 . 0 0 "[ . 1 .]" 3
1301 1 89 VAL MG2 1 127 SER HB2 1.800 . 5.500 4.517 4.265 4.614 . 0 0 "[ . 1 .]" 3
1302 1 113 GLU QB 1 127 SER HB3 1.800 . 3.800 2.275 1.867 3.532 . 0 0 "[ . 1 .]" 3
1303 1 113 GLU QB 1 127 SER HB2 1.800 . 3.800 3.261 3.033 3.635 . 0 0 "[ . 1 .]" 3
1304 1 112 ARG QG 1 127 SER HB3 1.800 . 5.000 2.394 1.846 3.920 . 0 0 "[ . 1 .]" 3
1305 1 112 ARG QG 1 127 SER HB2 1.800 . 5.000 3.281 2.755 4.621 . 0 0 "[ . 1 .]" 3
1306 1 113 GLU HA 1 127 SER HB3 1.800 . 3.300 2.029 1.861 3.265 . 0 0 "[ . 1 .]" 3
1307 1 113 GLU HA 1 127 SER HB2 1.800 . 3.300 3.313 3.262 3.490 0.190 12 0 "[ . 1 .]" 3
1308 1 114 GLY H 1 127 SER HB3 1.800 . 5.000 4.054 3.923 5.066 0.066 12 0 "[ . 1 .]" 3
1309 1 114 GLY H 1 127 SER HB2 1.800 . 5.000 5.050 4.942 5.129 0.129 2 0 "[ . 1 .]" 3
1310 1 149 LEU HA 1 150 SER H 1.800 . 4.000 2.834 2.554 3.117 . 0 0 "[ . 1 .]" 3
1311 1 148 ARG HA 1 150 SER H 1.800 . 5.000 3.756 3.516 4.049 . 0 0 "[ . 1 .]" 3
1312 1 150 SER H 1 150 SER HB3 1.800 . 4.000 2.527 2.178 2.924 . 0 0 "[ . 1 .]" 3
1313 1 150 SER H 1 150 SER HB2 1.800 . 4.000 3.530 3.458 3.585 . 0 0 "[ . 1 .]" 3
1314 1 148 ARG QB 1 150 SER H 1.800 . 4.000 3.429 3.290 3.623 . 0 0 "[ . 1 .]" 3
1315 1 149 LEU QB 1 150 SER H 1.800 . 4.000 3.830 3.690 3.896 . 0 0 "[ . 1 .]" 3
1316 1 150 SER H 1 151 VAL HB 1.800 . 4.000 4.204 4.088 4.356 0.356 3 0 "[ . 1 .]" 3
1317 1 117 GLN HE21 1 120 ASN HA 1.800 . 5.000 3.044 2.360 3.852 . 0 0 "[ . 1 .]" 3
1318 1 117 GLN HE22 1 120 ASN HA 1.800 . 5.000 3.617 3.169 4.147 . 0 0 "[ . 1 .]" 3
1319 1 117 GLN HE21 1 119 GLY QA 1.800 . 7.000 6.217 5.726 6.505 . 0 0 "[ . 1 .]" 3
1320 1 117 GLN QB 1 117 GLN HE21 1.800 . 4.000 1.814 1.729 2.066 0.071 13 0 "[ . 1 .]" 3
1321 1 159 TYR H 1 159 TYR QD 1.800 . 4.800 2.285 1.938 3.140 . 0 0 "[ . 1 .]" 3
1322 1 158 ALA HA 1 159 TYR H 1.800 . 5.000 3.560 3.528 3.600 . 0 0 "[ . 1 .]" 3
1323 1 159 TYR H 1 159 TYR HB3 1.800 . 4.000 3.491 3.426 3.579 . 0 0 "[ . 1 .]" 3
1324 1 159 TYR H 1 159 TYR HB2 1.800 . 4.000 2.162 2.058 2.328 . 0 0 "[ . 1 .]" 3
1325 1 158 ALA MB 1 159 TYR H 1.800 . 5.500 2.495 2.331 2.685 . 0 0 "[ . 1 .]" 3
1326 1 159 TYR HA 1 159 TYR QD 1.800 . 7.000 2.696 2.051 2.995 . 0 0 "[ . 1 .]" 3
1327 1 159 TYR HA 1 162 GLY QA 1.800 . 5.000 4.217 4.140 4.395 . 0 0 "[ . 1 .]" 3
1328 1 149 LEU MD2 1 159 TYR HA 1.800 . 6.500 2.879 1.933 5.400 . 0 0 "[ . 1 .]" 3
1329 1 155 LEU MD1 1 159 TYR HA 1.800 . 5.500 4.219 3.727 4.523 . 0 0 "[ . 1 .]" 3
1330 1 155 LEU MD2 1 159 TYR HA 1.800 . 5.500 4.261 3.412 4.519 . 0 0 "[ . 1 .]" 3
1331 1 159 TYR QD 1 160 SER H 1.800 . 6.000 4.226 4.076 4.449 . 0 0 "[ . 1 .]" 3
1332 1 157 LYS HA 1 160 SER H 1.800 . 3.300 2.606 2.524 2.724 . 0 0 "[ . 1 .]" 3
1333 1 160 SER H 1 160 SER HB3 1.800 . 3.300 3.071 2.840 3.286 . 0 0 "[ . 1 .]" 3
1334 1 160 SER H 1 160 SER HB2 1.800 . 3.300 2.024 1.966 2.132 . 0 0 "[ . 1 .]" 3
1335 1 159 TYR HB3 1 160 SER H 1.800 . 4.000 3.606 3.425 3.840 . 0 0 "[ . 1 .]" 3
1336 1 159 TYR HB2 1 160 SER H 1.800 . 4.000 2.854 2.740 2.944 . 0 0 "[ . 1 .]" 3
1337 1 158 ALA MB 1 160 SER H 1.800 . 6.500 4.276 4.159 4.406 . 0 0 "[ . 1 .]" 3
1338 1 157 LYS QB 1 160 SER H 1.800 . 4.500 4.054 3.959 4.244 . 0 0 "[ . 1 .]" 3
1339 1 160 SER HA 1 160 SER HB3 1.800 . 2.800 2.899 2.816 2.976 0.176 9 0 "[ . 1 .]" 3
1340 1 159 TYR QD 1 160 SER HA 1.800 . 6.000 5.838 5.775 5.886 . 0 0 "[ . 1 .]" 3
1341 1 159 TYR QD 1 160 SER HB3 1.800 . 8.000 6.917 6.718 7.154 . 0 0 "[ . 1 .]" 3
1342 1 157 LYS QG 1 160 SER HB3 1.800 . 2.800 2.226 1.915 2.686 . 0 0 "[ . 1 .]" 3
1343 1 31 VAL QG 1 175 GLN HE21 1.800 . 6.500 2.932 1.839 4.070 . 0 0 "[ . 1 .]" 3
1344 1 31 VAL QG 1 175 GLN HE22 1.800 . 6.500 2.958 1.777 3.918 0.023 8 0 "[ . 1 .]" 3
1345 1 53 GLN HE21 1 75 ASP HA 1.800 . 6.000 3.965 3.500 4.863 . 0 0 "[ . 1 .]" 3
1346 1 53 GLN HE22 1 75 ASP HA 1.800 . 6.000 4.056 3.662 4.963 . 0 0 "[ . 1 .]" 3
1347 1 53 GLN HB3 1 53 GLN HE21 1.800 . 4.000 3.574 3.198 3.864 . 0 0 "[ . 1 .]" 3
1348 1 53 GLN HB2 1 53 GLN HE21 1.800 . 4.000 2.062 1.872 2.454 . 0 0 "[ . 1 .]" 3
1349 1 53 GLN HB3 1 53 GLN HE22 1.800 . 5.000 4.631 4.515 4.753 . 0 0 "[ . 1 .]" 3
1350 1 130 LEU HA 1 131 GLY H 1.800 . 2.800 2.574 2.188 2.899 0.099 8 0 "[ . 1 .]" 3
1351 1 130 LEU HG 1 131 GLY H 1.800 . 4.000 4.024 3.529 4.183 0.183 8 0 "[ . 1 .]" 3
1352 1 130 LEU QD 1 131 GLY H 1.800 . 5.500 3.254 2.080 4.257 . 0 0 "[ . 1 .]" 3
1353 1 130 LEU QD 1 131 GLY QA 1.800 . 7.400 3.706 2.421 4.770 . 0 0 "[ . 1 .]" 3
1354 1 130 LEU QB 1 131 GLY HA3 1.800 . 6.000 4.556 3.919 5.458 . 0 0 "[ . 1 .]" 3
1355 1 143 LEU HA 1 144 GLY H 1.800 . 3.300 2.161 2.116 2.217 . 0 0 "[ . 1 .]" 3
1356 1 144 GLY H 1 145 GLY HA2 1.800 . 4.000 4.268 4.207 4.335 0.335 10 0 "[ . 1 .]" 3
1357 1 143 LEU HB3 1 144 GLY H 1.800 . 5.000 4.236 3.987 4.389 . 0 0 "[ . 1 .]" 3
1358 1 57 LEU QB 1 144 GLY H 1.800 . 5.000 4.307 3.992 4.457 . 0 0 "[ . 1 .]" 3
1359 1 143 LEU QD 1 144 GLY H 1.800 . 6.000 2.966 2.180 3.433 . 0 0 "[ . 1 .]" 3
1360 1 55 LEU HG 1 144 GLY HA2 1.800 . 4.500 4.754 4.666 4.899 0.399 15 0 "[ . 1 .]" 3
1361 1 55 LEU QD 1 144 GLY HA2 1.800 . 7.400 4.956 4.872 5.002 . 0 0 "[ . 1 .]" 3
1362 1 55 LEU QD 1 144 GLY HA3 1.800 . 7.400 5.517 5.405 5.636 . 0 0 "[ . 1 .]" 3
1363 1 19 PHE QE 1 144 GLY HA3 1.800 . 5.000 2.103 1.842 2.788 . 0 0 "[ . 1 .]" 3
1364 1 19 PHE QE 1 144 GLY HA2 1.800 . 5.000 3.043 2.052 4.033 . 0 0 "[ . 1 .]" 3
1365 1 148 ARG HE 1 151 VAL QG 1.800 . 6.500 4.434 3.576 4.825 . 0 0 "[ . 1 .]" 3
1366 1 146 MET ME 1 148 ARG HE 1.800 . 6.500 4.721 3.521 5.508 . 0 0 "[ . 1 .]" 3
1367 1 99 THR H 1 99 THR HB 1.800 . 4.000 2.603 2.124 3.105 . 0 0 "[ . 1 .]" 3
1368 1 98 ASN HA 1 99 THR H 1.800 . 2.800 2.673 2.594 2.850 0.050 14 0 "[ . 1 .]" 3
1369 1 99 THR H 1 99 THR MG 1.800 . 4.800 3.120 1.967 3.791 . 0 0 "[ . 1 .]" 3
1370 1 99 THR MG 1 101 HIS HE1 1.800 . 5.500 4.317 3.889 4.618 . 0 0 "[ . 1 .]" 3
1371 1 99 THR MG 1 101 HIS HD2 1.800 . 5.500 3.174 1.908 4.327 . 0 0 "[ . 1 .]" 3
1372 1 99 THR MG 1 101 HIS HB3 1.800 . 6.500 3.304 3.030 4.584 . 0 0 "[ . 1 .]" 3
1373 1 99 THR MG 1 101 HIS HB2 1.800 . 6.500 1.966 1.704 3.572 0.096 5 0 "[ . 1 .]" 3
1374 1 49 THR MG 1 165 GLY HA3 1.800 . 5.500 3.921 2.340 4.627 . 0 0 "[ . 1 .]" 3
1375 1 49 THR MG 1 165 GLY HA2 1.800 . 6.500 4.636 1.741 5.393 0.059 4 0 "[ . 1 .]" 3
1376 1 165 GLY H 1 166 CYS HA 1.800 . 5.000 4.477 4.384 4.625 . 0 0 "[ . 1 .]" 3
1377 1 165 GLY H 1 165 GLY HA2 1.800 . 2.800 2.885 2.861 2.936 0.136 8 0 "[ . 1 .]" 3
1378 1 164 ILE HA 1 165 GLY H 1.800 . 2.800 2.389 2.318 2.516 . 0 0 "[ . 1 .]" 3
1379 1 19 PHE HB3 1 165 GLY H 1.800 . 4.000 3.321 3.059 3.745 . 0 0 "[ . 1 .]" 3
1380 1 19 PHE HB2 1 165 GLY H 1.800 . 3.300 1.861 1.762 2.182 0.038 14 0 "[ . 1 .]" 3
1381 1 164 ILE HB 1 165 GLY H 1.800 . 5.000 4.521 4.348 4.603 . 0 0 "[ . 1 .]" 3
1382 1 164 ILE MG 1 165 GLY H 1.800 . 4.800 3.572 3.479 3.832 . 0 0 "[ . 1 .]" 3
1383 1 125 THR HA 1 126 GLY H 1.800 . 2.800 2.404 2.218 2.511 . 0 0 "[ . 1 .]" 3
1384 1 126 GLY H 1 127 SER HA 1.800 . 4.500 4.478 4.333 4.552 0.052 12 0 "[ . 1 .]" 3
1385 1 125 THR HB 1 126 GLY H 1.800 . 3.300 2.484 2.255 2.966 . 0 0 "[ . 1 .]" 3
1386 1 125 THR MG 1 126 GLY H 1.800 . 5.500 3.869 3.768 4.063 . 0 0 "[ . 1 .]" 3
1387 1 89 VAL MG2 1 126 GLY H 1.800 . 5.500 4.239 3.545 4.501 . 0 0 "[ . 1 .]" 3
1388 1 91 LEU QD 1 126 GLY H 1.800 . 5.500 2.292 1.843 2.887 . 0 0 "[ . 1 .]" 3
1389 1 113 GLU QG 1 126 GLY H 1.800 . 5.000 3.582 3.078 4.224 . 0 0 "[ . 1 .]" 3
1390 1 89 VAL MG2 1 126 GLY HA3 1.800 . 5.500 2.773 2.090 3.292 . 0 0 "[ . 1 .]" 3
1391 1 89 VAL MG2 1 126 GLY HA2 1.800 . 5.500 3.934 3.389 4.354 . 0 0 "[ . 1 .]" 3
1392 1 53 GLN HA 1 54 GLY H 1.800 . 2.800 2.247 2.209 2.290 . 0 0 "[ . 1 .]" 3
1393 1 53 GLN HG3 1 54 GLY H 1.800 . 2.800 2.734 2.320 2.848 0.048 6 0 "[ . 1 .]" 3
1394 1 53 GLN HG2 1 54 GLY H 1.800 . 5.000 3.909 3.346 4.493 . 0 0 "[ . 1 .]" 3
1395 1 54 GLY H 1 73 ILE HB 1.800 . 3.300 2.822 2.420 3.356 0.056 4 0 "[ . 1 .]" 3
1396 1 54 GLY H 1 74 VAL MG1 1.800 . 7.000 5.007 3.968 5.681 . 0 0 "[ . 1 .]" 3
1397 1 54 GLY H 1 74 VAL MG2 1.800 . 7.000 5.012 3.940 5.720 . 0 0 "[ . 1 .]" 3
1398 1 54 GLY H 1 73 ILE MD 1.800 . 7.000 4.034 2.982 4.763 . 0 0 "[ . 1 .]" 3
1399 1 172 VAL HA 1 174 ARG H 1.800 . 5.000 3.962 3.573 4.546 . 0 0 "[ . 1 .]" 3
1400 1 173 ASP HA 1 174 ARG H 1.800 . 4.000 2.839 2.468 2.964 . 0 0 "[ . 1 .]" 3
1401 1 174 ARG H 1 174 ARG HA 1.800 . 2.800 2.344 2.318 2.357 . 0 0 "[ . 1 .]" 3
1402 1 174 ARG H 1 174 ARG QB 1.800 . 3.300 3.009 2.950 3.217 . 0 0 "[ . 1 .]" 3
1403 1 171 ILE MG 1 174 ARG H 1.800 . 4.800 2.918 2.145 3.650 . 0 0 "[ . 1 .]" 3
1404 1 171 ILE MG 1 174 ARG HE 1.800 . 6.500 4.515 3.173 5.460 . 0 0 "[ . 1 .]" 3
1405 1 174 ARG HA 1 174 ARG HB3 1.800 . 2.800 2.791 2.278 2.916 0.116 11 0 "[ . 1 .]" 3
1406 1 174 ARG HA 1 174 ARG HB2 1.800 . 2.800 2.826 2.607 2.990 0.190 10 0 "[ . 1 .]" 3
1407 1 174 ARG HA 1 174 ARG QG 1.800 . 3.300 2.363 1.939 3.293 . 0 0 "[ . 1 .]" 3
1408 1 174 ARG HA 1 174 ARG QD 1.800 . 4.300 2.388 1.843 3.657 . 0 0 "[ . 1 .]" 3
1409 1 171 ILE MG 1 174 ARG HA 1.800 . 4.300 2.229 1.831 2.648 . 0 0 "[ . 1 .]" 3
1410 1 171 ILE MG 1 174 ARG QD 1.800 . 7.000 3.640 2.894 4.603 . 0 0 "[ . 1 .]" 3
1411 1 138 ASP HA 1 139 GLY H 1.800 . 4.000 3.255 2.929 3.549 . 0 0 "[ . 1 .]" 3
1412 1 31 VAL QG 1 139 GLY H 1.800 . 5.500 3.661 2.842 4.126 . 0 0 "[ . 1 .]" 3
1413 1 19 PHE QE 1 145 GLY HA3 1.800 . 8.000 5.292 3.238 5.764 . 0 0 "[ . 1 .]" 3
1414 1 19 PHE QE 1 145 GLY HA2 1.800 . 7.000 6.075 4.740 6.516 . 0 0 "[ . 1 .]" 3
1415 1 145 GLY HA3 1 163 PHE QD 1.800 . 8.000 6.982 6.532 7.352 . 0 0 "[ . 1 .]" 3
1416 1 145 GLY HA2 1 163 PHE QD 1.800 . 8.000 6.988 6.541 7.231 . 0 0 "[ . 1 .]" 3
1417 1 145 GLY HA3 1 146 MET QB 1.800 . 4.500 3.981 3.882 4.146 . 0 0 "[ . 1 .]" 3
1418 1 145 GLY HA2 1 146 MET QB 1.800 . 5.000 3.566 3.476 3.902 . 0 0 "[ . 1 .]" 3
1419 1 145 GLY QA 1 146 MET QG 1.800 . 6.000 4.145 3.381 4.909 . 0 0 "[ . 1 .]" 3
1420 1 118 VAL H 1 118 VAL QG 1.800 . 4.800 2.423 1.736 2.908 0.064 12 0 "[ . 1 .]" 3
1421 1 117 GLN HA 1 118 VAL H 1.800 . 3.300 2.262 2.177 2.457 . 0 0 "[ . 1 .]" 3
1422 1 118 VAL H 1 118 VAL HB 1.800 . 3.300 2.373 1.965 3.513 0.213 14 0 "[ . 1 .]" 3
1423 1 118 VAL H 1 121 GLU QB 1.800 . 5.000 3.506 2.302 4.376 . 0 0 "[ . 1 .]" 3
1424 1 117 GLN QG 1 118 VAL H 1.800 . 5.000 3.681 3.015 4.439 . 0 0 "[ . 1 .]" 3
1425 1 105 ILE MG 1 118 VAL HA 1.800 . 6.500 2.824 2.250 3.588 . 0 0 "[ . 1 .]" 3
1426 1 93 SER HB2 1 118 VAL HA 1.800 . 5.000 5.056 4.943 5.136 0.136 11 0 "[ . 1 .]" 3
1427 1 52 THR H 1 52 THR HB 1.800 . 4.000 3.774 3.480 4.042 0.042 5 0 "[ . 1 .]" 3
1428 1 51 ALA MB 1 52 THR H 1.800 . 4.300 2.730 1.759 3.665 0.041 2 0 "[ . 1 .]" 3
1429 1 52 THR H 1 52 THR MG 1.800 . 4.800 2.790 1.847 3.721 . 0 0 "[ . 1 .]" 3
1430 1 50 GLU HA 1 52 THR H 1.800 . 6.000 5.516 3.817 6.162 0.162 1 0 "[ . 1 .]" 3
1431 1 52 THR HA 1 73 ILE MG 1.800 . 4.800 2.822 2.387 3.778 . 0 0 "[ . 1 .]" 3
1432 1 52 THR HA 1 73 ILE MD 1.800 . 6.000 4.567 4.138 4.851 . 0 0 "[ . 1 .]" 3
1433 1 52 THR HA 1 76 GLY H 1.800 . 4.000 2.778 2.132 3.295 . 0 0 "[ . 1 .]" 3
1434 1 52 THR HB 1 76 GLY QA 1.800 . 3.300 2.899 2.464 3.107 . 0 0 "[ . 1 .]" 3
1435 1 52 THR HB 1 53 GLN HB2 1.800 . 5.000 4.064 3.603 4.480 . 0 0 "[ . 1 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 138
_Distance_constraint_stats_list.Viol_count 523
_Distance_constraint_stats_list.Viol_total 732.232
_Distance_constraint_stats_list.Viol_max 1.313
_Distance_constraint_stats_list.Viol_rms 0.1042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0236
_Distance_constraint_stats_list.Viol_average_violations_only 0.0933
_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 17 ILE 1.350 0.119 9 0 "[ . 1 .]"
1 19 PHE 0.149 0.056 8 0 "[ . 1 .]"
1 21 GLY 0.661 0.080 5 0 "[ . 1 .]"
1 25 MET 1.008 0.146 6 0 "[ . 1 .]"
1 27 TYR 0.163 0.054 7 0 "[ . 1 .]"
1 39 GLN 0.462 0.112 13 0 "[ . 1 .]"
1 41 ASN 0.400 0.101 14 0 "[ . 1 .]"
1 42 HIS 22.174 1.313 7 11 "[- **.*+* 1*****]"
1 43 PHE 0.048 0.026 8 0 "[ . 1 .]"
1 44 GLU 0.071 0.071 13 0 "[ . 1 .]"
1 45 LEU 0.049 0.048 9 0 "[ . 1 .]"
1 46 SER 0.000 0.000 . 0 "[ . 1 .]"
1 47 ILE 0.138 0.051 6 0 "[ . 1 .]"
1 48 LYS 1.360 0.133 14 0 "[ . 1 .]"
1 52 THR 0.000 0.000 . 0 "[ . 1 .]"
1 54 GLY 0.098 0.036 15 0 "[ . 1 .]"
1 56 ILE 2.150 0.180 15 0 "[ . 1 .]"
1 57 LEU 0.565 0.117 3 0 "[ . 1 .]"
1 58 TRP 0.442 0.085 3 0 "[ . 1 .]"
1 59 SER 0.551 0.084 6 0 "[ . 1 .]"
1 68 TYR 1.088 0.141 10 0 "[ . 1 .]"
1 69 ILE 0.551 0.084 6 0 "[ . 1 .]"
1 70 ALA 0.210 0.063 1 0 "[ . 1 .]"
1 71 LEU 1.516 0.120 14 0 "[ . 1 .]"
1 72 ALA 0.524 0.085 9 0 "[ . 1 .]"
1 73 ILE 0.098 0.036 15 0 "[ . 1 .]"
1 74 VAL 0.115 0.033 9 0 "[ . 1 .]"
1 76 GLY 0.408 0.067 13 0 "[ . 1 .]"
1 77 PHE 0.115 0.033 9 0 "[ . 1 .]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 79 GLN 0.524 0.085 9 0 "[ . 1 .]"
1 80 MET 0.686 0.090 8 0 "[ . 1 .]"
1 81 MET 0.210 0.063 1 0 "[ . 1 .]"
1 82 TYR 1.202 0.323 8 0 "[ . 1 .]"
1 83 ASP 1.088 0.141 10 0 "[ . 1 .]"
1 89 VAL 1.202 0.323 8 0 "[ . 1 .]"
1 91 LEU 0.686 0.090 8 0 "[ . 1 .]"
1 93 SER 0.026 0.026 8 0 "[ . 1 .]"
1 95 VAL 0.026 0.026 8 0 "[ . 1 .]"
1 97 ILE 0.408 0.067 13 0 "[ . 1 .]"
1 103 THR 0.138 0.051 6 0 "[ . 1 .]"
1 104 HIS 0.563 0.083 13 0 "[ . 1 .]"
1 105 ILE 0.049 0.048 9 0 "[ . 1 .]"
1 106 LYS 0.210 0.059 6 0 "[ . 1 .]"
1 107 ALA 0.048 0.026 8 0 "[ . 1 .]"
1 108 TYR 1.075 0.117 12 0 "[ . 1 .]"
1 109 ARG 0.400 0.101 14 0 "[ . 1 .]"
1 110 VAL 0.541 0.089 6 0 "[ . 1 .]"
1 111 GLN 0.462 0.112 13 0 "[ . 1 .]"
1 113 GLU 0.541 0.089 6 0 "[ . 1 .]"
1 114 GLY 0.058 0.053 10 0 "[ . 1 .]"
1 115 SER 1.075 0.117 12 0 "[ . 1 .]"
1 116 LEU 0.332 0.076 3 0 "[ . 1 .]"
1 117 GLN 0.210 0.059 6 0 "[ . 1 .]"
1 118 VAL 1.849 0.184 14 0 "[ . 1 .]"
1 119 GLY 0.563 0.083 13 0 "[ . 1 .]"
1 121 GLU 1.849 0.184 14 0 "[ . 1 .]"
1 124 ILE 0.332 0.076 3 0 "[ . 1 .]"
1 126 GLY 0.058 0.053 10 0 "[ . 1 .]"
1 141 LEU 0.163 0.054 7 0 "[ . 1 .]"
1 142 TRP 0.442 0.085 3 0 "[ . 1 .]"
1 143 LEU 1.008 0.146 6 0 "[ . 1 .]"
1 144 GLY 1.853 0.180 15 0 "[ . 1 .]"
1 156 PRO 1.211 0.140 6 0 "[ . 1 .]"
1 158 ALA 1.394 0.149 2 0 "[ . 1 .]"
1 159 TYR 1.211 0.140 6 0 "[ . 1 .]"
1 161 THR 1.394 0.149 2 0 "[ . 1 .]"
1 163 PHE 1.315 0.080 5 0 "[ . 1 .]"
1 165 GLY 0.149 0.056 8 0 "[ . 1 .]"
1 166 CYS 1.360 0.133 14 0 "[ . 1 .]"
1 167 ILE 1.350 0.119 9 0 "[ . 1 .]"
1 168 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 170 VAL 1.281 0.138 1 0 "[ . 1 .]"
1 171 ILE 0.071 0.071 13 0 "[ . 1 .]"
1 172 VAL 1.279 0.181 2 0 "[ . 1 .]"
1 173 ASP 22.174 1.313 7 11 "[- **.*+* 1*****]"
1 175 GLN 1.279 0.181 2 0 "[ . 1 .]"
1 176 GLU 0.200 0.049 14 0 "[ . 1 .]"
1 177 LEU 1.281 0.138 1 0 "[ . 1 .]"
1 178 HIS 1.419 0.142 12 0 "[ . 1 .]"
1 179 LEU 0.445 0.116 12 0 "[ . 1 .]"
1 180 VAL 0.408 0.084 13 0 "[ . 1 .]"
1 182 ASP 1.219 0.142 12 0 "[ . 1 .]"
1 183 ALA 0.445 0.116 12 0 "[ . 1 .]"
1 184 LEU 0.408 0.084 13 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 76 GLY O 1 97 ILE N 2.500 2.500 3.500 3.396 3.116 3.523 0.023 13 0 "[ . 1 .]" 4
2 1 76 GLY O 1 97 ILE H 1.500 . 2.500 2.488 2.263 2.567 0.067 13 0 "[ . 1 .]" 4
3 1 114 GLY O 1 126 GLY N 2.500 2.500 3.500 2.925 2.766 3.154 . 0 0 "[ . 1 .]" 4
4 1 114 GLY O 1 126 GLY H 1.500 . 2.500 2.061 1.890 2.289 . 0 0 "[ . 1 .]" 4
5 1 114 GLY N 1 126 GLY O 2.500 2.500 3.500 2.599 2.447 3.117 0.053 10 0 "[ . 1 .]" 4
6 1 114 GLY H 1 126 GLY O 1.500 . 2.500 1.776 1.538 2.503 0.003 12 0 "[ . 1 .]" 4
7 1 116 LEU O 1 124 ILE N 2.500 2.500 3.500 2.903 2.543 3.312 . 0 0 "[ . 1 .]" 4
8 1 116 LEU O 1 124 ILE H 1.500 . 2.500 2.070 1.579 2.576 0.076 3 0 "[ . 1 .]" 4
9 1 116 LEU N 1 124 ILE O 2.500 2.500 3.500 2.974 2.644 3.204 . 0 0 "[ . 1 .]" 4
10 1 116 LEU H 1 124 ILE O 1.500 . 2.500 2.335 1.736 2.553 0.053 9 0 "[ . 1 .]" 4
11 1 118 VAL O 1 121 GLU N 2.500 2.500 3.500 3.327 3.038 3.477 . 0 0 "[ . 1 .]" 4
12 1 118 VAL O 1 121 GLU H 1.500 . 2.500 2.607 2.260 2.684 0.184 14 0 "[ . 1 .]" 4
13 1 106 LYS O 1 117 GLN N 2.500 2.500 3.500 2.792 2.441 3.306 0.059 6 0 "[ . 1 .]" 4
14 1 106 LYS O 1 117 GLN H 1.500 . 2.500 1.936 1.583 2.435 . 0 0 "[ . 1 .]" 4
15 1 106 LYS N 1 117 GLN O 2.500 2.500 3.500 2.831 2.462 3.201 0.038 12 0 "[ . 1 .]" 4
16 1 106 LYS H 1 117 GLN O 1.500 . 2.500 2.187 1.739 2.547 0.047 4 0 "[ . 1 .]" 4
17 1 108 TYR O 1 115 SER N 2.500 2.500 3.500 3.113 2.805 3.366 . 0 0 "[ . 1 .]" 4
18 1 108 TYR O 1 115 SER H 1.500 . 2.500 2.520 2.181 2.617 0.117 12 0 "[ . 1 .]" 4
19 1 108 TYR N 1 115 SER O 2.500 2.500 3.500 3.154 3.037 3.313 . 0 0 "[ . 1 .]" 4
20 1 108 TYR H 1 115 SER O 1.500 . 2.500 2.451 2.167 2.602 0.102 10 0 "[ . 1 .]" 4
21 1 110 VAL O 1 113 GLU N 2.500 2.500 3.500 3.133 2.679 3.545 0.045 6 0 "[ . 1 .]" 4
22 1 110 VAL O 1 113 GLU H 1.500 . 2.500 2.401 2.030 2.589 0.089 6 0 "[ . 1 .]" 4
23 1 104 HIS O 1 119 GLY N 2.500 2.500 3.500 2.470 2.417 2.573 0.083 13 0 "[ . 1 .]" 4
24 1 104 HIS O 1 119 GLY H 1.500 . 2.500 1.838 1.582 2.084 . 0 0 "[ . 1 .]" 4
25 1 39 GLN O 1 111 GLN N 2.500 2.500 3.500 3.133 2.627 3.475 . 0 0 "[ . 1 .]" 4
26 1 39 GLN O 1 111 GLN H 1.500 . 2.500 2.390 1.856 2.612 0.112 13 0 "[ . 1 .]" 4
27 1 41 ASN N 1 109 ARG O 2.500 2.500 3.500 3.149 2.840 3.358 . 0 0 "[ . 1 .]" 4
28 1 41 ASN H 1 109 ARG O 1.500 . 2.500 2.347 1.936 2.561 0.061 15 0 "[ . 1 .]" 4
29 1 41 ASN O 1 109 ARG N 2.500 2.500 3.500 3.304 2.888 3.495 . 0 0 "[ . 1 .]" 4
30 1 41 ASN O 1 109 ARG H 1.500 . 2.500 2.444 2.082 2.601 0.101 14 0 "[ . 1 .]" 4
31 1 43 PHE N 1 107 ALA O 2.500 2.500 3.500 3.125 2.635 3.450 . 0 0 "[ . 1 .]" 4
32 1 43 PHE H 1 107 ALA O 1.500 . 2.500 2.332 1.824 2.526 0.026 8 0 "[ . 1 .]" 4
33 1 43 PHE O 1 107 ALA N 2.500 2.500 3.500 2.955 2.711 3.128 . 0 0 "[ . 1 .]" 4
34 1 43 PHE O 1 107 ALA H 1.500 . 2.500 2.212 1.753 2.450 . 0 0 "[ . 1 .]" 4
35 1 45 LEU N 1 105 ILE O 2.500 2.500 3.500 3.242 3.005 3.447 . 0 0 "[ . 1 .]" 4
36 1 45 LEU H 1 105 ILE O 1.500 . 2.500 2.372 2.211 2.548 0.048 9 0 "[ . 1 .]" 4
37 1 45 LEU O 1 105 ILE N 2.500 2.500 3.500 2.833 2.568 3.059 . 0 0 "[ . 1 .]" 4
38 1 45 LEU O 1 105 ILE H 1.500 . 2.500 1.940 1.693 2.195 . 0 0 "[ . 1 .]" 4
39 1 47 ILE N 1 103 THR O 2.500 2.500 3.500 3.200 3.016 3.355 . 0 0 "[ . 1 .]" 4
40 1 47 ILE H 1 103 THR O 1.500 . 2.500 2.409 2.161 2.551 0.051 6 0 "[ . 1 .]" 4
41 1 47 ILE O 1 103 THR N 2.500 2.500 3.500 3.088 2.925 3.229 . 0 0 "[ . 1 .]" 4
42 1 47 ILE O 1 103 THR H 1.500 . 2.500 2.166 2.043 2.302 . 0 0 "[ . 1 .]" 4
43 1 48 LYS N 1 166 CYS O 2.500 2.500 3.500 2.441 2.367 2.579 0.133 14 0 "[ . 1 .]" 4
44 1 48 LYS H 1 166 CYS O 1.500 . 2.500 1.690 1.495 1.984 0.005 1 0 "[ . 1 .]" 4
45 1 48 LYS O 1 166 CYS N 2.500 2.500 3.500 2.959 2.391 3.478 0.109 2 0 "[ . 1 .]" 4
46 1 48 LYS O 1 166 CYS H 1.500 . 2.500 2.106 1.529 2.609 0.109 4 0 "[ . 1 .]" 4
47 1 46 SER N 1 168 ARG O 2.500 2.500 3.500 3.132 2.893 3.306 . 0 0 "[ . 1 .]" 4
48 1 46 SER H 1 168 ARG O 1.500 . 2.500 2.224 1.961 2.430 . 0 0 "[ . 1 .]" 4
49 1 46 SER O 1 168 ARG N 2.500 2.500 3.500 2.973 2.785 3.135 . 0 0 "[ . 1 .]" 4
50 1 46 SER O 1 168 ARG H 1.500 . 2.500 2.060 1.876 2.229 . 0 0 "[ . 1 .]" 4
51 1 44 GLU N 1 171 ILE O 2.500 2.500 3.500 2.783 2.429 2.967 0.071 13 0 "[ . 1 .]" 4
52 1 44 GLU H 1 171 ILE O 1.500 . 2.500 1.829 1.529 1.995 . 0 0 "[ . 1 .]" 4
53 1 44 GLU O 1 171 ILE N 2.500 2.500 3.500 2.730 2.525 2.950 . 0 0 "[ . 1 .]" 4
54 1 44 GLU O 1 171 ILE H 1.500 . 2.500 1.849 1.602 2.091 . 0 0 "[ . 1 .]" 4
55 1 42 HIS O 1 173 ASP N 2.500 2.500 3.500 3.188 3.038 3.343 . 0 0 "[ . 1 .]" 4
56 1 42 HIS O 1 173 ASP H 1.500 . 2.500 2.496 2.319 2.601 0.101 14 0 "[ . 1 .]" 4
57 1 172 VAL N 1 175 GLN O 2.500 2.500 3.500 3.458 3.232 3.596 0.096 2 0 "[ . 1 .]" 4
58 1 172 VAL H 1 175 GLN O 1.500 . 2.500 2.555 2.307 2.681 0.181 2 0 "[ . 1 .]" 4
59 1 172 VAL O 1 175 GLN N 2.500 2.500 3.500 2.817 2.471 3.266 0.029 9 0 "[ . 1 .]" 4
60 1 172 VAL O 1 175 GLN H 1.500 . 2.500 2.117 1.531 2.546 0.046 10 0 "[ . 1 .]" 4
61 1 170 VAL O 1 177 LEU N 2.500 2.500 3.500 3.470 3.160 3.557 0.057 11 0 "[ . 1 .]" 4
62 1 170 VAL O 1 177 LEU H 1.500 . 2.500 2.569 2.505 2.638 0.138 1 0 "[ . 1 .]" 4
63 1 19 PHE N 1 165 GLY O 2.500 2.500 3.500 2.583 2.444 2.777 0.056 8 0 "[ . 1 .]" 4
64 1 19 PHE H 1 165 GLY O 1.500 . 2.500 1.638 1.465 1.835 0.035 8 0 "[ . 1 .]" 4
65 1 17 ILE O 1 167 ILE N 2.500 2.500 3.500 3.318 3.181 3.458 . 0 0 "[ . 1 .]" 4
66 1 17 ILE O 1 167 ILE H 1.500 . 2.500 2.446 2.296 2.562 0.062 13 0 "[ . 1 .]" 4
67 1 17 ILE N 1 167 ILE O 2.500 2.500 3.500 3.495 3.372 3.570 0.070 7 0 "[ . 1 .]" 4
68 1 17 ILE H 1 167 ILE O 1.500 . 2.500 2.567 2.481 2.619 0.119 9 0 "[ . 1 .]" 4
69 1 78 VAL O 1 93 SER N 2.500 2.500 3.500 2.892 2.559 3.338 . 0 0 "[ . 1 .]" 4
70 1 78 VAL O 1 93 SER H 1.500 . 2.500 2.178 1.968 2.495 . 0 0 "[ . 1 .]" 4
71 1 80 MET O 1 91 LEU N 2.500 2.500 3.500 3.167 2.879 3.509 0.009 12 0 "[ . 1 .]" 4
72 1 80 MET O 1 91 LEU H 1.500 . 2.500 2.253 1.964 2.564 0.064 12 0 "[ . 1 .]" 4
73 1 80 MET N 1 91 LEU O 2.500 2.500 3.500 3.435 3.318 3.525 0.025 5 0 "[ . 1 .]" 4
74 1 80 MET H 1 91 LEU O 1.500 . 2.500 2.514 2.355 2.590 0.090 8 0 "[ . 1 .]" 4
75 1 82 TYR O 1 89 VAL N 2.500 2.500 3.500 3.066 2.750 3.414 . 0 0 "[ . 1 .]" 4
76 1 82 TYR O 1 89 VAL H 1.500 . 2.500 2.260 1.841 2.550 0.050 8 0 "[ . 1 .]" 4
77 1 82 TYR N 1 89 VAL O 2.500 2.500 3.500 3.298 3.088 3.510 0.010 8 0 "[ . 1 .]" 4
78 1 82 TYR H 1 89 VAL O 1.500 . 2.500 2.491 2.224 2.823 0.323 8 0 "[ . 1 .]" 4
79 1 68 TYR N 1 83 ASP O 2.500 2.500 3.500 3.222 2.475 3.573 0.073 11 0 "[ . 1 .]" 4
80 1 68 TYR H 1 83 ASP O 1.500 . 2.500 2.400 1.523 2.641 0.141 10 0 "[ . 1 .]" 4
81 1 70 ALA O 1 81 MET N 2.500 2.500 3.500 3.157 2.816 3.361 . 0 0 "[ . 1 .]" 4
82 1 70 ALA O 1 81 MET H 1.500 . 2.500 2.363 1.839 2.563 0.063 1 0 "[ . 1 .]" 4
83 1 72 ALA N 1 79 GLN O 2.500 2.500 3.500 3.300 2.807 3.474 . 0 0 "[ . 1 .]" 4
84 1 72 ALA H 1 79 GLN O 1.500 . 2.500 2.423 1.889 2.585 0.085 9 0 "[ . 1 .]" 4
85 1 72 ALA O 1 79 GLN N 2.500 2.500 3.500 2.796 2.436 3.007 0.064 6 0 "[ . 1 .]" 4
86 1 72 ALA O 1 79 GLN H 1.500 . 2.500 2.211 1.930 2.522 0.022 10 0 "[ . 1 .]" 4
87 1 74 VAL O 1 77 PHE N 2.500 2.500 3.500 3.017 2.613 3.488 . 0 0 "[ . 1 .]" 4
88 1 74 VAL O 1 77 PHE H 1.500 . 2.500 2.140 1.720 2.527 0.027 6 0 "[ . 1 .]" 4
89 1 74 VAL N 1 77 PHE O 2.500 2.500 3.500 2.689 2.467 3.414 0.033 9 0 "[ . 1 .]" 4
90 1 74 VAL H 1 77 PHE O 1.500 . 2.500 1.761 1.541 2.475 . 0 0 "[ . 1 .]" 4
91 1 52 THR O 1 76 GLY N 2.500 2.500 3.500 3.030 2.802 3.302 . 0 0 "[ . 1 .]" 4
92 1 52 THR O 1 76 GLY H 1.500 . 2.500 2.149 1.908 2.388 . 0 0 "[ . 1 .]" 4
93 1 54 GLY O 1 73 ILE N 2.500 2.500 3.500 2.584 2.464 3.014 0.036 15 0 "[ . 1 .]" 4
94 1 54 GLY O 1 73 ILE H 1.500 . 2.500 1.711 1.506 2.160 . 0 0 "[ . 1 .]" 4
95 1 54 GLY N 1 73 ILE O 2.500 2.500 3.500 3.034 2.909 3.187 . 0 0 "[ . 1 .]" 4
96 1 54 GLY H 1 73 ILE O 1.500 . 2.500 2.154 2.060 2.257 . 0 0 "[ . 1 .]" 4
97 1 56 ILE N 1 71 LEU O 2.500 2.500 3.500 2.440 2.380 2.549 0.120 14 0 "[ . 1 .]" 4
98 1 56 ILE H 1 71 LEU O 1.500 . 2.500 1.707 1.565 1.845 . 0 0 "[ . 1 .]" 4
99 1 57 LEU N 1 71 LEU O 2.500 2.500 3.500 2.746 2.542 2.954 . 0 0 "[ . 1 .]" 4
100 1 57 LEU H 1 71 LEU O 1.500 . 2.500 1.914 1.628 2.296 . 0 0 "[ . 1 .]" 4
101 1 57 LEU O 1 71 LEU N 2.500 2.500 3.500 2.523 2.383 2.909 0.117 3 0 "[ . 1 .]" 4
102 1 57 LEU O 1 71 LEU H 1.500 . 2.500 1.673 1.566 1.983 . 0 0 "[ . 1 .]" 4
103 1 59 SER O 1 69 ILE N 2.500 2.500 3.500 3.414 3.042 3.551 0.051 6 0 "[ . 1 .]" 4
104 1 59 SER O 1 69 ILE H 1.500 . 2.500 2.489 2.237 2.584 0.084 6 0 "[ . 1 .]" 4
105 1 56 ILE O 1 144 GLY N 2.500 2.500 3.500 2.468 2.320 2.888 0.180 15 0 "[ . 1 .]" 4
106 1 56 ILE O 1 144 GLY H 1.500 . 2.500 1.813 1.562 2.149 . 0 0 "[ . 1 .]" 4
107 1 58 TRP N 1 142 TRP O 2.500 2.500 3.500 2.816 2.477 3.451 0.023 1 0 "[ . 1 .]" 4
108 1 58 TRP H 1 142 TRP O 1.500 . 2.500 1.922 1.558 2.516 0.016 14 0 "[ . 1 .]" 4
109 1 58 TRP O 1 142 TRP N 2.500 2.500 3.500 3.106 2.647 3.368 . 0 0 "[ . 1 .]" 4
110 1 58 TRP O 1 142 TRP H 1.500 . 2.500 2.437 2.008 2.585 0.085 3 0 "[ . 1 .]" 4
111 1 144 GLY O 1 163 PHE N 2.500 2.500 3.500 3.376 2.626 3.526 0.026 13 0 "[ . 1 .]" 4
112 1 144 GLY O 1 163 PHE H 1.500 . 2.500 2.535 2.440 2.578 0.078 14 0 "[ . 1 .]" 4
113 1 25 MET O 1 143 LEU N 2.500 2.500 3.500 3.012 2.487 3.357 0.013 13 0 "[ . 1 .]" 4
114 1 25 MET O 1 143 LEU H 1.500 . 2.500 2.166 1.526 2.521 0.021 14 0 "[ . 1 .]" 4
115 1 25 MET N 1 143 LEU O 2.500 2.500 3.500 3.410 3.141 3.524 0.024 8 0 "[ . 1 .]" 4
116 1 25 MET H 1 143 LEU O 1.500 . 2.500 2.545 2.354 2.646 0.146 6 0 "[ . 1 .]" 4
117 1 27 TYR N 1 141 LEU O 2.500 2.500 3.500 2.763 2.477 3.059 0.023 4 0 "[ . 1 .]" 4
118 1 27 TYR H 1 141 LEU O 1.500 . 2.500 1.918 1.634 2.229 . 0 0 "[ . 1 .]" 4
119 1 27 TYR O 1 141 LEU N 2.500 2.500 3.500 3.113 2.870 3.338 . 0 0 "[ . 1 .]" 4
120 1 27 TYR O 1 141 LEU H 1.500 . 2.500 2.372 2.131 2.554 0.054 7 0 "[ . 1 .]" 4
121 1 180 VAL O 1 184 LEU N 2.500 2.500 3.500 3.327 3.037 3.459 . 0 0 "[ . 1 .]" 4
122 1 180 VAL O 1 184 LEU H 1.500 . 2.500 2.473 2.247 2.584 0.084 13 0 "[ . 1 .]" 4
123 1 179 LEU O 1 183 ALA N 2.500 2.500 3.500 2.732 2.384 3.246 0.116 12 0 "[ . 1 .]" 4
124 1 179 LEU O 1 183 ALA H 1.500 . 2.500 1.968 1.495 2.554 0.054 3 0 "[ . 1 .]" 4
125 1 178 HIS O 1 182 ASP N 2.500 2.500 3.500 3.503 3.427 3.589 0.089 12 0 "[ . 1 .]" 4
126 1 178 HIS O 1 182 ASP H 1.500 . 2.500 2.563 2.480 2.642 0.142 12 0 "[ . 1 .]" 4
127 1 158 ALA O 1 161 THR N 2.500 2.500 3.500 3.449 3.385 3.494 . 0 0 "[ . 1 .]" 4
128 1 158 ALA O 1 161 THR H 1.500 . 2.500 2.593 2.524 2.649 0.149 2 0 "[ . 1 .]" 4
129 1 156 PRO O 1 159 TYR N 2.500 2.500 3.500 3.418 2.948 3.555 0.055 3 0 "[ . 1 .]" 4
130 1 156 PRO O 1 159 TYR H 1.500 . 2.500 2.541 2.315 2.640 0.140 6 0 "[ . 1 .]" 4
131 1 176 GLU O 1 178 HIS N 2.500 2.500 3.500 2.814 2.480 3.187 0.020 15 0 "[ . 1 .]" 4
132 1 176 GLU O 1 178 HIS H 1.500 . 2.500 2.299 1.647 2.549 0.049 14 0 "[ . 1 .]" 4
133 1 21 GLY N 1 163 PHE O 2.500 2.500 3.500 2.907 2.659 3.139 . 0 0 "[ . 1 .]" 4
134 1 21 GLY H 1 163 PHE O 1.500 . 2.500 2.519 2.125 2.580 0.080 5 0 "[ . 1 .]" 4
135 1 93 SER OG 1 95 VAL N 2.500 2.500 3.500 3.197 2.994 3.433 . 0 0 "[ . 1 .]" 4
136 1 93 SER OG 1 95 VAL H 1.500 . 2.500 2.275 2.032 2.526 0.026 8 0 "[ . 1 .]" 4
137 1 42 HIS N 1 173 ASP OD2 2.500 2.500 3.500 4.123 3.142 4.676 1.176 7 11 "[- **.*+* 1*****]" 4
138 1 42 HIS H 1 173 ASP OD2 1.500 . 2.500 3.266 2.337 3.813 1.313 7 11 "[- **.*+* 1*****]" 4
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