NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593362 |
2myu   |
25243 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2myu
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 1208
_Distance_constraint_stats_list.Viol_count 1315
_Distance_constraint_stats_list.Viol_total 1640.338
_Distance_constraint_stats_list.Viol_max 0.297
_Distance_constraint_stats_list.Viol_rms 0.0184
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0624
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.535 0.042 9 0 "[ . 1 . 2]"
1 2 LYS 1.477 0.081 1 0 "[ . 1 . 2]"
1 3 LYS 1.970 0.086 5 0 "[ . 1 . 2]"
1 4 VAL 0.670 0.147 6 0 "[ . 1 . 2]"
1 5 MET 2.013 0.205 13 0 "[ . 1 . 2]"
1 6 PHE 2.034 0.124 17 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 4.221 0.197 16 0 "[ . 1 . 2]"
1 9 LYS 0.277 0.057 18 0 "[ . 1 . 2]"
1 10 ARG 0.978 0.105 8 0 "[ . 1 . 2]"
1 11 ASN 0.195 0.057 15 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.214 0.067 17 0 "[ . 1 . 2]"
1 15 SER 0.414 0.135 18 0 "[ . 1 . 2]"
1 16 GLN 2.749 0.221 3 0 "[ . 1 . 2]"
1 17 MET 0.098 0.049 18 0 "[ . 1 . 2]"
1 18 ALA 1.733 0.146 11 0 "[ . 1 . 2]"
1 19 GLU 3.134 0.221 3 0 "[ . 1 . 2]"
1 20 GLY 0.669 0.048 12 0 "[ . 1 . 2]"
1 21 PHE 0.888 0.094 3 0 "[ . 1 . 2]"
1 22 ALA 1.194 0.140 16 0 "[ . 1 . 2]"
1 23 LYS 0.467 0.048 12 0 "[ . 1 . 2]"
1 24 THR 8.084 0.197 11 0 "[ . 1 . 2]"
1 25 LEU 0.862 0.057 18 0 "[ . 1 . 2]"
1 26 GLY 0.089 0.019 11 0 "[ . 1 . 2]"
1 27 ALA 0.959 0.121 13 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 3.073 0.188 12 0 "[ . 1 . 2]"
1 30 ILE 2.436 0.188 12 0 "[ . 1 . 2]"
1 31 ALA 4.514 0.202 17 0 "[ . 1 . 2]"
1 32 VAL 6.037 0.202 17 0 "[ . 1 . 2]"
1 33 THR 2.013 0.205 13 0 "[ . 1 . 2]"
1 34 SER 0.027 0.013 12 0 "[ . 1 . 2]"
1 35 SER 2.331 0.109 10 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.065 0.031 7 0 "[ . 1 . 2]"
1 38 GLU 2.453 0.245 16 0 "[ . 1 . 2]"
1 39 SER 0.320 0.044 8 0 "[ . 1 . 2]"
1 40 SER 4.981 0.245 16 0 "[ . 1 . 2]"
1 41 ARG 0.032 0.025 16 0 "[ . 1 . 2]"
1 42 VAL 4.692 0.297 8 0 "[ . 1 . 2]"
1 43 HIS 1.642 0.127 12 0 "[ . 1 . 2]"
1 44 PRO 0.057 0.021 10 0 "[ . 1 . 2]"
1 45 THR 0.004 0.002 13 0 "[ . 1 . 2]"
1 46 ALA 0.098 0.049 18 0 "[ . 1 . 2]"
1 47 ILE 1.756 0.121 9 0 "[ . 1 . 2]"
1 48 ALA 2.864 0.126 16 0 "[ . 1 . 2]"
1 49 MET 2.139 0.150 3 0 "[ . 1 . 2]"
1 50 MET 1.883 0.126 16 0 "[ . 1 . 2]"
1 51 GLU 0.208 0.041 8 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 2.139 0.150 3 0 "[ . 1 . 2]"
1 54 GLY 1.594 0.118 10 0 "[ . 1 . 2]"
1 55 ILE 0.306 0.073 16 0 "[ . 1 . 2]"
1 56 ASP 0.002 0.001 5 0 "[ . 1 . 2]"
1 57 ILE 3.451 0.297 8 0 "[ . 1 . 2]"
1 58 SER 1.756 0.121 9 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 3.382 0.197 11 0 "[ . 1 . 2]"
1 61 THR 2.867 0.201 2 0 "[ . 1 . 2]"
1 62 SER 2.899 0.201 2 0 "[ . 1 . 2]"
1 63 ASP 0.107 0.057 15 0 "[ . 1 . 2]"
1 64 PRO 2.180 0.216 1 0 "[ . 1 . 2]"
1 65 ILE 0.115 0.066 16 0 "[ . 1 . 2]"
1 66 GLU 0.984 0.073 13 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PHE 0.063 0.022 14 0 "[ . 1 . 2]"
1 69 ASN 0.199 0.086 14 0 "[ . 1 . 2]"
1 70 ALA 0.656 0.050 6 0 "[ . 1 . 2]"
1 71 ASP 0.313 0.050 6 0 "[ . 1 . 2]"
1 72 ASP 0.163 0.086 14 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.261 0.040 3 0 "[ . 1 . 2]"
1 75 VAL 0.352 0.040 3 0 "[ . 1 . 2]"
1 76 VAL 0.623 0.061 8 0 "[ . 1 . 2]"
1 77 ILE 0.704 0.061 8 0 "[ . 1 . 2]"
1 78 SER 0.069 0.031 13 0 "[ . 1 . 2]"
1 79 LEU 0.867 0.174 16 0 "[ . 1 . 2]"
1 80 CYS 0.069 0.031 13 0 "[ . 1 . 2]"
1 81 GLY 0.043 0.043 7 0 "[ . 1 . 2]"
1 82 CYS 0.062 0.043 19 0 "[ . 1 . 2]"
1 83 GLY 0.043 0.043 7 0 "[ . 1 . 2]"
1 84 VAL 0.062 0.043 19 0 "[ . 1 . 2]"
1 85 ASN 0.080 0.080 17 0 "[ . 1 . 2]"
1 86 LEU 0.212 0.080 17 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PRO 0.005 0.005 20 0 "[ . 1 . 2]"
1 89 GLU 0.879 0.102 16 0 "[ . 1 . 2]"
1 90 TRP 3.703 0.156 20 0 "[ . 1 . 2]"
1 91 VAL 2.046 0.129 3 0 "[ . 1 . 2]"
1 92 THR 0.008 0.005 10 0 "[ . 1 . 2]"
1 93 GLN 2.381 0.241 5 0 "[ . 1 . 2]"
1 94 GLU 2.295 0.241 5 0 "[ . 1 . 2]"
1 95 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PHE 1.451 0.129 3 0 "[ . 1 . 2]"
1 97 GLU 0.041 0.041 19 0 "[ . 1 . 2]"
1 98 ASP 0.687 0.188 13 0 "[ . 1 . 2]"
1 99 TRP 0.704 0.174 16 0 "[ . 1 . 2]"
1 100 GLN 1.572 0.188 13 0 "[ . 1 . 2]"
1 101 LEU 0.194 0.050 5 0 "[ . 1 . 2]"
1 102 GLU 0.045 0.019 13 0 "[ . 1 . 2]"
1 103 ASP 0.830 0.118 12 0 "[ . 1 . 2]"
1 104 PRO 2.254 0.255 17 0 "[ . 1 . 2]"
1 105 ASP 1.642 0.127 12 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLN 0.646 0.186 9 0 "[ . 1 . 2]"
1 108 SER 1.558 0.082 15 0 "[ . 1 . 2]"
1 109 LEU 1.210 0.082 15 0 "[ . 1 . 2]"
1 110 GLU 2.389 0.271 9 0 "[ . 1 . 2]"
1 111 VAL 1.222 0.255 17 0 "[ . 1 . 2]"
1 112 PHE 2.558 0.271 9 0 "[ . 1 . 2]"
1 113 ARG 0.826 0.095 18 0 "[ . 1 . 2]"
1 114 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 VAL 3.219 0.166 15 0 "[ . 1 . 2]"
1 116 ARG 0.444 0.157 1 0 "[ . 1 . 2]"
1 117 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 VAL 1.617 0.170 19 0 "[ . 1 . 2]"
1 120 LYS 0.417 0.075 19 0 "[ . 1 . 2]"
1 121 GLU 0.208 0.054 9 0 "[ . 1 . 2]"
1 122 ARG 1.560 0.097 12 0 "[ . 1 . 2]"
1 123 VAL 1.619 0.146 11 0 "[ . 1 . 2]"
1 124 GLU 0.156 0.037 8 0 "[ . 1 . 2]"
1 125 ASN 2.071 0.113 17 0 "[ . 1 . 2]"
1 126 LEU 1.238 0.090 10 0 "[ . 1 . 2]"
1 127 ILE 0.099 0.040 1 0 "[ . 1 . 2]"
1 128 ALA 2.306 0.113 17 0 "[ . 1 . 2]"
1 129 LYS 0.005 0.005 7 0 "[ . 1 . 2]"
1 130 ILE 0.523 0.052 2 0 "[ . 1 . 2]"
1 131 SER 0.090 0.040 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 97 GLU HA 1 98 ASP QB . . 5.500 4.142 3.922 4.441 . 0 0 "[ . 1 . 2]" 1
2 1 107 GLN QG 1 108 SER QB . . 6.500 5.681 5.248 6.203 . 0 0 "[ . 1 . 2]" 1
3 1 108 SER HA 1 109 LEU HG . . 5.500 5.555 5.528 5.582 0.082 15 0 "[ . 1 . 2]" 1
4 1 111 VAL MG2 1 114 THR HB . . 4.500 4.090 3.834 4.359 . 0 0 "[ . 1 . 2]" 1
5 1 125 ASN QB 1 128 ALA MB . . 5.500 4.923 4.692 5.058 . 0 0 "[ . 1 . 2]" 1
6 1 124 GLU HA 1 128 ALA MB . . 5.500 3.482 3.316 3.675 . 0 0 "[ . 1 . 2]" 1
7 1 22 ALA H 1 32 VAL QG . . 5.500 3.792 3.347 3.992 . 0 0 "[ . 1 . 2]" 1
8 1 29 LYS QG 1 131 SER HA . . 5.500 3.103 2.669 3.767 . 0 0 "[ . 1 . 2]" 1
9 1 10 ARG QB 1 13 SER QB . . 5.500 2.764 1.933 3.316 . 0 0 "[ . 1 . 2]" 1
10 1 102 GLU HA 1 103 ASP QB . . 4.500 4.286 4.107 4.508 0.008 19 0 "[ . 1 . 2]" 1
11 1 103 ASP HA 1 104 PRO QB . . 5.500 4.505 4.392 4.573 . 0 0 "[ . 1 . 2]" 1
12 1 104 PRO HA 1 112 PHE HA . . 4.500 4.172 3.445 4.554 0.054 18 0 "[ . 1 . 2]" 1
13 1 15 SER HA 1 79 LEU HG . . 4.500 4.207 2.974 4.635 0.135 18 0 "[ . 1 . 2]" 1
14 1 103 ASP HA 1 104 PRO HA . . 4.500 4.483 4.450 4.537 0.037 8 0 "[ . 1 . 2]" 1
15 1 102 GLU HA 1 103 ASP HA . . 4.500 4.443 4.362 4.519 0.019 13 0 "[ . 1 . 2]" 1
16 1 83 GLY QA 1 84 VAL H . . 3.500 2.771 2.476 2.888 . 0 0 "[ . 1 . 2]" 1
17 1 83 GLY QA 1 86 LEU H . . 5.500 3.682 3.098 4.349 . 0 0 "[ . 1 . 2]" 1
18 1 78 SER QB 1 83 GLY QA . . 5.500 2.818 2.325 3.941 . 0 0 "[ . 1 . 2]" 1
19 1 81 GLY QA 1 83 GLY QA . . 5.500 5.036 4.544 5.543 0.043 7 0 "[ . 1 . 2]" 1
20 1 90 TRP HA 1 91 VAL QG . . 5.500 4.519 4.079 4.712 . 0 0 "[ . 1 . 2]" 1
21 1 86 LEU HA 1 87 PRO QB . . 5.500 4.816 4.605 4.888 . 0 0 "[ . 1 . 2]" 1
22 1 100 GLN HA 1 101 LEU H . . 3.500 2.800 2.301 3.550 0.050 5 0 "[ . 1 . 2]" 1
23 1 6 PHE H 1 35 SER H . . 5.500 3.879 3.630 4.122 . 0 0 "[ . 1 . 2]" 1
24 1 93 GLN H 1 94 GLU H . . 5.500 4.600 4.509 4.692 . 0 0 "[ . 1 . 2]" 1
25 1 101 LEU H 1 102 GLU H . . 5.500 4.624 4.537 4.703 . 0 0 "[ . 1 . 2]" 1
26 1 81 GLY H 1 100 GLN HA . . 5.500 3.565 2.594 5.047 . 0 0 "[ . 1 . 2]" 1
27 1 69 ASN H 1 72 ASP H . . 6.500 5.477 5.103 6.586 0.086 14 0 "[ . 1 . 2]" 1
28 1 45 THR HB 1 112 PHE HZ . . 3.500 3.268 2.993 3.448 . 0 0 "[ . 1 . 2]" 1
29 1 46 ALA H 1 112 PHE HZ . . 4.500 3.015 2.851 4.017 . 0 0 "[ . 1 . 2]" 1
30 1 45 THR H 1 112 PHE HZ . . 4.500 4.412 4.317 4.502 0.002 13 0 "[ . 1 . 2]" 1
31 1 70 ALA MB 1 90 TRP HD1 . . 5.500 4.687 3.847 4.924 . 0 0 "[ . 1 . 2]" 1
32 1 89 GLU QG 1 90 TRP HD1 . . 5.500 5.129 4.611 5.602 0.102 16 0 "[ . 1 . 2]" 1
33 1 66 GLU QG 1 90 TRP HD1 . . 5.500 5.549 5.529 5.573 0.073 13 0 "[ . 1 . 2]" 1
34 1 90 TRP H 1 90 TRP HD1 . . 4.500 4.397 4.106 4.656 0.156 20 0 "[ . 1 . 2]" 1
35 1 99 TRP H 1 99 TRP HD1 . . 5.500 3.108 2.854 3.435 . 0 0 "[ . 1 . 2]" 1
36 1 99 TRP HA 1 99 TRP HD1 . . 3.500 2.595 2.309 2.908 . 0 0 "[ . 1 . 2]" 1
37 1 99 TRP HZ2 1 126 LEU QB . . 4.500 2.283 2.120 2.417 . 0 0 "[ . 1 . 2]" 1
38 1 6 PHE HZ 1 22 ALA MB . . 3.500 2.248 2.141 2.479 . 0 0 "[ . 1 . 2]" 1
39 1 6 PHE HZ 1 123 VAL QG . . 4.500 2.910 2.374 3.236 . 0 0 "[ . 1 . 2]" 1
40 1 6 PHE HZ 1 32 VAL QG . . 4.500 3.454 2.955 3.974 . 0 0 "[ . 1 . 2]" 1
41 1 4 VAL QG 1 6 PHE HZ . . 4.500 2.429 2.343 2.551 . 0 0 "[ . 1 . 2]" 1
42 1 68 PHE HZ 1 76 VAL QG . . 3.500 2.634 2.258 2.882 . 0 0 "[ . 1 . 2]" 1
43 1 99 TRP HH2 1 123 VAL QG . . 3.500 2.148 2.040 2.287 . 0 0 "[ . 1 . 2]" 1
44 1 99 TRP HH2 1 123 VAL HA . . 3.500 2.329 2.173 2.452 . 0 0 "[ . 1 . 2]" 1
45 1 1 MET HA 1 30 ILE HB . . 5.500 4.691 4.503 5.045 . 0 0 "[ . 1 . 2]" 1
46 1 1 MET HA 1 2 LYS HA . . 5.500 4.505 4.445 4.550 . 0 0 "[ . 1 . 2]" 1
47 1 1 MET HA 1 2 LYS H . . 3.500 2.259 2.193 2.354 . 0 0 "[ . 1 . 2]" 1
48 1 1 MET HA 1 31 ALA H . . 5.500 5.484 5.347 5.542 0.042 9 0 "[ . 1 . 2]" 1
49 1 1 MET QB 1 31 ALA MB . . 5.500 4.266 3.748 4.517 . 0 0 "[ . 1 . 2]" 1
50 1 1 MET QB 1 30 ILE HA . . 5.500 3.856 2.341 4.333 . 0 0 "[ . 1 . 2]" 1
51 1 1 MET QG 1 3 LYS QG . . 5.500 2.851 2.196 3.785 . 0 0 "[ . 1 . 2]" 1
52 1 1 MET QG 1 31 ALA MB . . 4.500 3.383 2.526 3.791 . 0 0 "[ . 1 . 2]" 1
53 1 1 MET QG 1 30 ILE HB . . 5.500 2.663 2.421 3.396 . 0 0 "[ . 1 . 2]" 1
54 1 1 MET QG 1 30 ILE HA . . 4.500 2.357 2.143 2.829 . 0 0 "[ . 1 . 2]" 1
55 1 1 MET QG 1 30 ILE H . . 5.500 4.925 4.749 5.372 . 0 0 "[ . 1 . 2]" 1
56 1 1 MET QG 1 31 ALA H . . 5.500 2.504 2.259 2.709 . 0 0 "[ . 1 . 2]" 1
57 1 2 LYS HA 1 2 LYS QD . . 3.500 2.562 2.250 3.577 0.077 10 0 "[ . 1 . 2]" 1
58 1 2 LYS HA 1 74 ASP QB . . 4.500 3.345 2.998 3.801 . 0 0 "[ . 1 . 2]" 1
59 1 2 LYS HA 1 3 LYS H . . 3.500 2.228 2.112 2.297 . 0 0 "[ . 1 . 2]" 1
60 1 2 LYS HA 1 3 LYS HA . . 4.500 4.504 4.477 4.538 0.038 4 0 "[ . 1 . 2]" 1
61 1 2 LYS QE 1 2 LYS QG . . 3.500 2.286 2.185 2.375 . 0 0 "[ . 1 . 2]" 1
62 1 3 LYS QG 1 73 TYR HA . . 5.500 4.063 3.759 4.460 . 0 0 "[ . 1 . 2]" 1
63 1 2 LYS H 1 2 LYS QG . . 4.500 2.585 2.257 3.714 . 0 0 "[ . 1 . 2]" 1
64 1 3 LYS QG 1 4 VAL H . . 5.500 3.989 2.806 4.325 . 0 0 "[ . 1 . 2]" 1
65 1 3 LYS H 1 3 LYS QG . . 4.500 2.372 2.142 3.540 . 0 0 "[ . 1 . 2]" 1
66 1 2 LYS QD 1 3 LYS H . . 5.500 4.541 4.169 5.333 . 0 0 "[ . 1 . 2]" 1
67 1 2 LYS HA 1 2 LYS QE . . 5.500 3.642 2.920 5.029 . 0 0 "[ . 1 . 2]" 1
68 1 18 ALA MB 1 123 VAL QG . . 4.500 2.505 2.212 2.990 . 0 0 "[ . 1 . 2]" 1
69 1 2 LYS HA 1 3 LYS QE . . 5.500 5.496 4.529 5.581 0.081 1 0 "[ . 1 . 2]" 1
70 1 3 LYS HA 1 3 LYS QE . . 5.500 4.644 4.068 4.740 . 0 0 "[ . 1 . 2]" 1
71 1 3 LYS H 1 3 LYS QE . . 5.500 4.164 3.721 4.371 . 0 0 "[ . 1 . 2]" 1
72 1 4 VAL HA 1 75 VAL QG . . 4.500 3.220 3.101 3.429 . 0 0 "[ . 1 . 2]" 1
73 1 4 VAL HA 1 75 VAL HB . . 3.500 2.296 2.146 2.569 . 0 0 "[ . 1 . 2]" 1
74 1 4 VAL HA 1 5 MET H . . 3.500 2.232 2.185 2.279 . 0 0 "[ . 1 . 2]" 1
75 1 4 VAL HB 1 75 VAL QG . . 4.500 4.216 3.062 4.524 0.024 3 0 "[ . 1 . 2]" 1
76 1 4 VAL HB 1 32 VAL QG . . 5.500 2.945 2.354 4.467 . 0 0 "[ . 1 . 2]" 1
77 1 4 VAL HB 1 32 VAL HA . . 4.500 2.717 2.160 4.559 0.059 7 0 "[ . 1 . 2]" 1
78 1 4 VAL HB 1 5 MET H . . 5.500 3.946 2.886 4.104 . 0 0 "[ . 1 . 2]" 1
79 1 4 VAL HB 1 33 THR H . . 5.500 3.500 2.718 5.440 . 0 0 "[ . 1 . 2]" 1
80 1 4 VAL H 1 4 VAL HB . . 3.500 2.768 2.558 3.647 0.147 6 0 "[ . 1 . 2]" 1
81 1 4 VAL H 1 4 VAL QG . . 3.500 2.503 2.020 2.692 . 0 0 "[ . 1 . 2]" 1
82 1 4 VAL QG 1 5 MET H . . 3.500 2.446 2.282 3.463 . 0 0 "[ . 1 . 2]" 1
83 1 75 VAL H 1 75 VAL QG . . 3.500 2.637 2.543 2.849 . 0 0 "[ . 1 . 2]" 1
84 1 4 VAL QG 1 99 TRP HH2 . . 5.500 4.870 4.686 5.519 0.019 6 0 "[ . 1 . 2]" 1
85 1 4 VAL QG 1 32 VAL HA . . 4.500 2.980 1.922 3.299 . 0 0 "[ . 1 . 2]" 1
86 1 3 LYS HA 1 4 VAL QG . . 3.500 3.375 3.219 3.480 . 0 0 "[ . 1 . 2]" 1
87 1 4 VAL QG 1 75 VAL HB . . 2.800 2.239 2.118 2.793 . 0 0 "[ . 1 . 2]" 1
88 1 4 VAL QG 1 77 ILE QG . . 5.500 3.008 2.565 4.500 . 0 0 "[ . 1 . 2]" 1
89 1 4 VAL QG 1 75 VAL QG . . 3.500 2.169 2.080 2.312 . 0 0 "[ . 1 . 2]" 1
90 1 4 VAL QG 1 76 VAL HA . . 5.500 3.905 3.526 5.075 . 0 0 "[ . 1 . 2]" 1
91 1 4 VAL QG 1 75 VAL HA . . 5.500 4.372 4.294 4.645 . 0 0 "[ . 1 . 2]" 1
92 1 4 VAL QG 1 75 VAL H . . 5.500 4.046 3.845 4.312 . 0 0 "[ . 1 . 2]" 1
93 1 4 VAL QG 1 33 THR H . . 5.500 3.254 2.234 3.535 . 0 0 "[ . 1 . 2]" 1
94 1 4 VAL QG 1 77 ILE H . . 5.500 4.150 3.670 5.484 . 0 0 "[ . 1 . 2]" 1
95 1 4 VAL QG 1 32 VAL QG . . 3.500 2.538 2.049 2.859 . 0 0 "[ . 1 . 2]" 1
96 1 5 MET QB 1 76 VAL QG . . 5.500 2.148 2.008 2.332 . 0 0 "[ . 1 . 2]" 1
97 1 5 MET QB 1 76 VAL HA . . 5.500 2.812 2.653 2.952 . 0 0 "[ . 1 . 2]" 1
98 1 5 MET QG 1 7 VAL QG . . 3.500 2.150 2.005 2.393 . 0 0 "[ . 1 . 2]" 1
99 1 5 MET QG 1 76 VAL QG . . 4.500 2.860 2.696 2.992 . 0 0 "[ . 1 . 2]" 1
100 1 5 MET QG 1 68 PHE HZ . . 5.500 3.075 2.555 4.554 . 0 0 "[ . 1 . 2]" 1
101 1 6 PHE QB 1 18 ALA MB . . 5.500 2.552 2.441 2.642 . 0 0 "[ . 1 . 2]" 1
102 1 6 PHE QB 1 34 SER HA . . 4.500 2.815 2.464 3.170 . 0 0 "[ . 1 . 2]" 1
103 1 6 PHE QB 1 7 VAL H . . 5.500 3.039 2.903 3.385 . 0 0 "[ . 1 . 2]" 1
104 1 7 VAL HB 1 78 SER HA . . 3.500 2.750 2.478 2.959 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL H 1 7 VAL HB . . 3.500 2.783 2.666 2.995 . 0 0 "[ . 1 . 2]" 1
106 1 7 VAL QG 1 65 ILE HB . . 5.500 3.371 3.138 4.056 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL QG 1 35 SER HA . . 5.500 4.493 4.147 4.811 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL QG 1 37 LEU H . . 4.500 3.796 3.622 4.012 . 0 0 "[ . 1 . 2]" 1
109 1 7 VAL QG 1 8 SER H . . 3.500 2.711 2.501 2.953 . 0 0 "[ . 1 . 2]" 1
110 1 7 VAL H 1 7 VAL QG . . 3.500 2.641 2.459 2.849 . 0 0 "[ . 1 . 2]" 1
111 1 7 VAL QG 1 76 VAL QG . . 3.500 2.128 2.040 2.250 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL QG 1 65 ILE HA . . 5.500 4.105 3.932 4.800 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL QG 1 86 LEU HA . . 5.500 4.726 4.470 5.379 . 0 0 "[ . 1 . 2]" 1
114 1 7 VAL QG 1 68 PHE HZ . . 5.500 3.635 3.207 4.412 . 0 0 "[ . 1 . 2]" 1
115 1 7 VAL QG 1 77 ILE H . . 5.500 3.107 2.783 3.617 . 0 0 "[ . 1 . 2]" 1
116 1 7 VAL QG 1 35 SER H . . 5.500 3.487 3.045 3.946 . 0 0 "[ . 1 . 2]" 1
117 1 39 SER HA 1 62 SER QB . . 5.500 4.007 2.890 5.285 . 0 0 "[ . 1 . 2]" 1
118 1 41 ARG HA 1 62 SER QB . . 4.500 3.786 2.948 4.489 . 0 0 "[ . 1 . 2]" 1
119 1 8 SER QB 1 104 PRO QD . . 5.500 5.505 5.169 5.697 0.197 16 0 "[ . 1 . 2]" 1
120 1 62 SER QB 1 63 ASP H . . 5.500 3.495 2.611 4.049 . 0 0 "[ . 1 . 2]" 1
121 1 111 VAL MG1 1 112 PHE HA . . 4.500 3.698 3.580 3.915 . 0 0 "[ . 1 . 2]" 1
122 1 9 LYS HA 1 9 LYS QG . . 3.500 2.315 2.277 2.412 . 0 0 "[ . 1 . 2]" 1
123 1 9 LYS HA 1 37 LEU HG . . 3.500 2.479 2.332 3.466 . 0 0 "[ . 1 . 2]" 1
124 1 9 LYS HA 1 10 ARG HA . . 5.500 4.684 4.570 4.784 . 0 0 "[ . 1 . 2]" 1
125 1 9 LYS HA 1 36 GLY QA . . 5.500 4.220 3.872 4.429 . 0 0 "[ . 1 . 2]" 1
126 1 9 LYS HA 1 37 LEU H . . 3.500 2.725 2.431 2.846 . 0 0 "[ . 1 . 2]" 1
127 1 9 LYS QB 1 10 ARG H . . 4.500 2.518 2.194 2.833 . 0 0 "[ . 1 . 2]" 1
128 1 9 LYS QE 1 9 LYS QG . . 3.500 2.363 2.322 2.424 . 0 0 "[ . 1 . 2]" 1
129 1 9 LYS QG 1 38 GLU QB . . 3.500 3.378 2.765 3.557 0.057 18 0 "[ . 1 . 2]" 1
130 1 9 LYS QB 1 9 LYS QD . . 2.800 2.373 2.353 2.428 . 0 0 "[ . 1 . 2]" 1
131 1 9 LYS H 1 9 LYS QE . . 5.500 4.545 4.356 4.679 . 0 0 "[ . 1 . 2]" 1
132 1 10 ARG QB 1 10 ARG QD . . 3.500 2.402 2.045 2.818 . 0 0 "[ . 1 . 2]" 1
133 1 110 GLU HA 1 113 ARG QD . . 4.500 3.143 2.310 3.844 . 0 0 "[ . 1 . 2]" 1
134 1 10 ARG HA 1 10 ARG QD . . 4.500 2.930 2.374 4.097 . 0 0 "[ . 1 . 2]" 1
135 1 10 ARG H 1 10 ARG QD . . 5.500 3.177 2.606 4.390 . 0 0 "[ . 1 . 2]" 1
136 1 113 ARG H 1 113 ARG QD . . 5.500 3.842 3.435 4.074 . 0 0 "[ . 1 . 2]" 1
137 1 11 ASN QB 1 36 GLY QA . . 5.500 2.758 2.394 3.405 . 0 0 "[ . 1 . 2]" 1
138 1 11 ASN QB 1 63 ASP H . . 4.500 3.787 3.020 4.557 0.057 15 0 "[ . 1 . 2]" 1
139 1 127 ILE HA 1 130 ILE HB . . 5.500 5.289 5.090 5.494 . 0 0 "[ . 1 . 2]" 1
140 1 12 SER HA 1 16 GLN QG . . 4.500 3.104 2.297 4.275 . 0 0 "[ . 1 . 2]" 1
141 1 12 SER HA 1 16 GLN QE . . 5.500 3.915 3.180 5.005 . 0 0 "[ . 1 . 2]" 1
142 1 12 SER HA 1 43 HIS H . . 4.500 3.558 2.903 4.295 . 0 0 "[ . 1 . 2]" 1
143 1 12 SER QB 1 13 SER H . . 4.500 3.330 3.036 3.713 . 0 0 "[ . 1 . 2]" 1
144 1 12 SER QB 1 42 VAL HA . . 5.500 3.396 2.211 4.268 . 0 0 "[ . 1 . 2]" 1
145 1 12 SER QB 1 43 HIS QB . . 4.500 2.237 2.033 2.778 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG QB 1 12 SER QB . . 5.500 3.849 3.714 4.273 . 0 0 "[ . 1 . 2]" 1
147 1 12 SER QB 1 41 ARG QG . . 5.500 3.799 3.121 4.660 . 0 0 "[ . 1 . 2]" 1
148 1 128 ALA HA 1 131 SER QB . . 4.500 2.527 2.140 3.134 . 0 0 "[ . 1 . 2]" 1
149 1 16 GLN HA 1 19 GLU H . . 4.500 3.058 2.805 3.230 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLN HA 1 60 GLN QE . . 5.500 3.677 2.974 4.821 . 0 0 "[ . 1 . 2]" 1
151 1 16 GLN QB 1 43 HIS QB . . 5.500 4.634 4.112 5.322 . 0 0 "[ . 1 . 2]" 1
152 1 16 GLN QB 1 19 GLU H . . 4.500 4.630 4.555 4.721 0.221 3 0 "[ . 1 . 2]" 1
153 1 16 GLN QB 1 17 MET H . . 5.500 2.735 2.436 2.967 . 0 0 "[ . 1 . 2]" 1
154 1 108 SER H 1 111 VAL HB . . 3.500 3.100 2.706 3.542 0.042 9 0 "[ . 1 . 2]" 1
155 1 111 VAL HB 1 112 PHE H . . 4.500 2.779 2.678 2.979 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLN H 1 16 GLN QG . . 4.500 3.193 2.602 3.983 . 0 0 "[ . 1 . 2]" 1
157 1 17 MET HA 1 50 MET QG . . 4.500 3.222 2.827 3.643 . 0 0 "[ . 1 . 2]" 1
158 1 17 MET HA 1 17 MET QG . . 3.500 2.367 2.235 2.533 . 0 0 "[ . 1 . 2]" 1
159 1 17 MET QB 1 46 ALA MB . . 4.500 4.308 3.532 4.549 0.049 18 0 "[ . 1 . 2]" 1
160 1 17 MET QB 1 50 MET QG . . 4.500 3.954 3.724 4.270 . 0 0 "[ . 1 . 2]" 1
161 1 17 MET QG 1 18 ALA H . . 4.500 4.057 3.618 4.265 . 0 0 "[ . 1 . 2]" 1
162 1 17 MET H 1 17 MET QG . . 4.500 2.614 2.172 3.992 . 0 0 "[ . 1 . 2]" 1
163 1 18 ALA HA 1 119 VAL QG . . 3.500 2.301 2.076 2.951 . 0 0 "[ . 1 . 2]" 1
164 1 18 ALA HA 1 123 VAL QG . . 3.500 2.361 2.123 2.800 . 0 0 "[ . 1 . 2]" 1
165 1 18 ALA HA 1 119 VAL HB . . 5.500 4.542 2.662 5.114 . 0 0 "[ . 1 . 2]" 1
166 1 18 ALA HA 1 21 PHE QB . . 5.500 2.646 2.402 2.849 . 0 0 "[ . 1 . 2]" 1
167 1 18 ALA HA 1 123 VAL HA . . 5.500 5.574 5.471 5.646 0.146 11 0 "[ . 1 . 2]" 1
168 1 18 ALA HA 1 19 GLU H . . 5.500 3.587 3.547 3.628 . 0 0 "[ . 1 . 2]" 1
169 1 18 ALA HA 1 21 PHE H . . 4.500 3.511 3.398 3.619 . 0 0 "[ . 1 . 2]" 1
170 1 18 ALA HA 1 22 ALA H . . 5.500 3.677 3.439 3.880 . 0 0 "[ . 1 . 2]" 1
171 1 18 ALA MB 1 119 VAL QG . . 3.500 2.280 2.141 2.541 . 0 0 "[ . 1 . 2]" 1
172 1 18 ALA MB 1 19 GLU HA . . 4.500 4.008 3.965 4.052 . 0 0 "[ . 1 . 2]" 1
173 1 15 SER HA 1 18 ALA MB . . 3.500 2.692 2.427 3.046 . 0 0 "[ . 1 . 2]" 1
174 1 18 ALA H 1 18 ALA MB . . 3.500 2.200 2.161 2.236 . 0 0 "[ . 1 . 2]" 1
175 1 18 ALA MB 1 19 GLU H . . 3.500 2.945 2.741 3.098 . 0 0 "[ . 1 . 2]" 1
176 1 19 GLU HA 1 32 VAL QG . . 3.500 3.080 2.301 3.368 . 0 0 "[ . 1 . 2]" 1
177 1 19 GLU HA 1 22 ALA MB . . 3.500 2.694 2.451 3.088 . 0 0 "[ . 1 . 2]" 1
178 1 19 GLU HA 1 20 GLY H . . 5.500 3.581 3.557 3.613 . 0 0 "[ . 1 . 2]" 1
179 1 19 GLU HA 1 23 LYS H . . 5.500 3.789 3.588 4.055 . 0 0 "[ . 1 . 2]" 1
180 1 19 GLU HA 1 22 ALA H . . 4.500 3.479 3.321 3.685 . 0 0 "[ . 1 . 2]" 1
181 1 19 GLU QB 1 20 GLY H . . 4.500 2.464 2.168 2.654 . 0 0 "[ . 1 . 2]" 1
182 1 19 GLU H 1 19 GLU QB . . 3.500 2.276 2.172 2.388 . 0 0 "[ . 1 . 2]" 1
183 1 19 GLU QB 1 60 GLN QE . . 5.500 2.622 2.225 3.435 . 0 0 "[ . 1 . 2]" 1
184 1 19 GLU QB 1 32 VAL QG . . 4.500 3.978 3.478 4.435 . 0 0 "[ . 1 . 2]" 1
185 1 19 GLU QG 1 60 GLN QG . . 3.500 3.266 2.434 3.539 0.039 17 0 "[ . 1 . 2]" 1
186 1 19 GLU QG 1 20 GLY H . . 5.500 3.531 3.317 3.754 . 0 0 "[ . 1 . 2]" 1
187 1 19 GLU QG 1 61 THR H . . 5.500 5.080 4.098 5.550 0.050 14 0 "[ . 1 . 2]" 1
188 1 20 GLY QA 1 32 VAL QG . . 5.500 4.393 4.153 4.684 . 0 0 "[ . 1 . 2]" 1
189 1 20 GLY QA 1 23 LYS QE . . 4.500 4.020 2.709 4.548 0.048 12 0 "[ . 1 . 2]" 1
190 1 20 GLY QA 1 21 PHE H . . 4.500 2.712 2.610 2.795 . 0 0 "[ . 1 . 2]" 1
191 1 20 GLY QA 1 23 LYS H . . 5.500 3.566 3.365 3.724 . 0 0 "[ . 1 . 2]" 1
192 1 18 ALA HA 1 20 GLY QA . . 5.500 5.503 5.421 5.525 0.025 20 0 "[ . 1 . 2]" 1
193 1 21 PHE HA 1 22 ALA H . . 5.500 3.626 3.572 3.651 . 0 0 "[ . 1 . 2]" 1
194 1 21 PHE QB 1 22 ALA H . . 4.500 2.826 2.717 3.018 . 0 0 "[ . 1 . 2]" 1
195 1 21 PHE QB 1 123 VAL HB . . 4.500 3.163 2.749 3.838 . 0 0 "[ . 1 . 2]" 1
196 1 21 PHE QB 1 123 VAL QG . . 3.500 1.918 1.831 2.106 . 0 0 "[ . 1 . 2]" 1
197 1 22 ALA HA 1 123 VAL QG . . 3.500 2.202 2.021 2.532 . 0 0 "[ . 1 . 2]" 1
198 1 22 ALA HA 1 24 THR H . . 5.500 4.773 4.547 4.929 . 0 0 "[ . 1 . 2]" 1
199 1 22 ALA HA 1 26 GLY H . . 4.500 4.354 3.664 4.519 0.019 11 0 "[ . 1 . 2]" 1
200 1 4 VAL QG 1 22 ALA MB . . 5.500 3.291 2.892 3.456 . 0 0 "[ . 1 . 2]" 1
201 1 18 ALA MB 1 22 ALA MB . . 4.500 3.648 3.492 3.798 . 0 0 "[ . 1 . 2]" 1
202 1 22 ALA MB 1 123 VAL QG . . 3.500 2.006 1.957 2.076 . 0 0 "[ . 1 . 2]" 1
203 1 22 ALA MB 1 127 ILE HB . . 4.500 3.184 3.060 3.361 . 0 0 "[ . 1 . 2]" 1
204 1 22 ALA MB 1 32 VAL HB . . 4.500 2.688 2.464 3.948 . 0 0 "[ . 1 . 2]" 1
205 1 18 ALA HA 1 22 ALA MB . . 5.500 4.079 3.851 4.228 . 0 0 "[ . 1 . 2]" 1
206 1 22 ALA MB 1 99 TRP HH2 . . 4.500 4.282 3.766 4.530 0.030 3 0 "[ . 1 . 2]" 1
207 1 22 ALA MB 1 24 THR H . . 5.500 4.912 4.789 4.976 . 0 0 "[ . 1 . 2]" 1
208 1 22 ALA H 1 22 ALA MB . . 3.500 2.222 2.182 2.260 . 0 0 "[ . 1 . 2]" 1
209 1 22 ALA MB 1 23 LYS H . . 4.500 2.673 2.554 2.812 . 0 0 "[ . 1 . 2]" 1
210 1 21 PHE H 1 22 ALA MB . . 5.500 4.518 4.430 4.625 . 0 0 "[ . 1 . 2]" 1
211 1 23 LYS HA 1 32 VAL QG . . 3.500 2.403 2.313 2.767 . 0 0 "[ . 1 . 2]" 1
212 1 23 LYS HA 1 27 ALA H . . 5.500 3.692 3.292 4.646 . 0 0 "[ . 1 . 2]" 1
213 1 23 LYS HA 1 24 THR H . . 5.500 3.664 3.611 3.690 . 0 0 "[ . 1 . 2]" 1
214 1 23 LYS HA 1 26 GLY H . . 5.500 3.555 2.946 4.078 . 0 0 "[ . 1 . 2]" 1
215 1 23 LYS H 1 23 LYS QB . . 3.500 2.222 2.120 2.944 . 0 0 "[ . 1 . 2]" 1
216 1 23 LYS QB 1 24 THR H . . 4.500 2.446 2.218 3.530 . 0 0 "[ . 1 . 2]" 1
217 1 23 LYS QB 1 32 VAL QG . . 5.500 2.191 2.078 2.696 . 0 0 "[ . 1 . 2]" 1
218 1 23 LYS H 1 23 LYS QG . . 4.500 3.736 2.042 3.928 . 0 0 "[ . 1 . 2]" 1
219 1 24 THR HA 1 25 LEU H . . 4.500 3.464 3.356 3.525 . 0 0 "[ . 1 . 2]" 1
220 1 24 THR HA 1 27 ALA H . . 5.500 3.976 3.852 4.561 . 0 0 "[ . 1 . 2]" 1
221 1 21 PHE HA 1 24 THR HA . . 5.500 5.543 5.481 5.594 0.094 3 0 "[ . 1 . 2]" 1
222 1 24 THR HA 1 27 ALA MB . . 4.500 3.484 3.083 3.596 . 0 0 "[ . 1 . 2]" 1
223 1 24 THR HA 1 25 LEU HG . . 5.500 5.196 5.086 5.345 . 0 0 "[ . 1 . 2]" 1
224 1 24 THR HB 1 25 LEU HG . . 5.500 4.444 4.293 4.707 . 0 0 "[ . 1 . 2]" 1
225 1 24 THR HB 1 27 ALA MB . . 5.500 5.504 5.032 5.621 0.121 13 0 "[ . 1 . 2]" 1
226 1 61 THR HB 1 62 SER HA . . 5.500 5.531 3.924 5.701 0.201 2 0 "[ . 1 . 2]" 1
227 1 24 THR H 1 24 THR HB . . 3.500 3.630 3.606 3.661 0.161 11 0 "[ . 1 . 2]" 1
228 1 25 LEU HA 1 25 LEU HG . . 4.500 2.865 2.807 2.928 . 0 0 "[ . 1 . 2]" 1
229 1 25 LEU HA 1 27 ALA H . . 5.500 4.831 4.423 5.474 . 0 0 "[ . 1 . 2]" 1
230 1 25 LEU HA 1 26 GLY H . . 4.500 3.386 3.285 3.492 . 0 0 "[ . 1 . 2]" 1
231 1 25 LEU QB 1 124 GLU QG . . 5.500 3.404 3.267 3.517 . 0 0 "[ . 1 . 2]" 1
232 1 22 ALA HA 1 25 LEU QB . . 5.500 2.648 2.522 2.785 . 0 0 "[ . 1 . 2]" 1
233 1 25 LEU QB 1 26 GLY H . . 4.500 3.347 2.939 3.532 . 0 0 "[ . 1 . 2]" 1
234 1 25 LEU HG 1 123 VAL QG . . 4.500 3.960 3.818 4.123 . 0 0 "[ . 1 . 2]" 1
235 1 21 PHE QB 1 25 LEU HG . . 4.500 4.067 3.707 4.472 . 0 0 "[ . 1 . 2]" 1
236 1 26 GLY QA 1 30 ILE QG . . 5.500 4.054 3.654 4.236 . 0 0 "[ . 1 . 2]" 1
237 1 26 GLY QA 1 127 ILE QG . . 5.500 2.840 2.648 3.154 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLY QA 1 27 ALA H . . 4.500 2.948 2.391 3.016 . 0 0 "[ . 1 . 2]" 1
239 1 26 GLY QA 1 29 LYS H . . 5.500 3.810 3.494 4.063 . 0 0 "[ . 1 . 2]" 1
240 1 27 ALA HA 1 28 GLY H . . 4.500 2.582 2.139 3.574 . 0 0 "[ . 1 . 2]" 1
241 1 27 ALA HA 1 29 LYS H . . 4.500 3.690 3.400 4.197 . 0 0 "[ . 1 . 2]" 1
242 1 27 ALA HA 1 30 ILE H . . 5.500 4.730 4.222 5.521 0.021 2 0 "[ . 1 . 2]" 1
243 1 27 ALA H 1 27 ALA MB . . 3.500 2.229 2.164 2.753 . 0 0 "[ . 1 . 2]" 1
244 1 26 GLY H 1 27 ALA MB . . 4.500 3.802 3.703 4.079 . 0 0 "[ . 1 . 2]" 1
245 1 27 ALA MB 1 29 LYS H . . 5.500 4.431 4.376 4.469 . 0 0 "[ . 1 . 2]" 1
246 1 27 ALA MB 1 28 GLY H . . 5.500 2.999 2.700 3.597 . 0 0 "[ . 1 . 2]" 1
247 1 28 GLY QA 1 29 LYS H . . 4.500 2.992 2.968 3.015 . 0 0 "[ . 1 . 2]" 1
248 1 28 GLY QA 1 29 LYS HA . . 4.500 4.135 4.089 4.200 . 0 0 "[ . 1 . 2]" 1
249 1 27 ALA MB 1 28 GLY QA . . 5.500 3.787 3.666 3.983 . 0 0 "[ . 1 . 2]" 1
250 1 29 LYS HA 1 30 ILE H . . 4.500 3.479 3.396 3.513 . 0 0 "[ . 1 . 2]" 1
251 1 29 LYS HA 1 30 ILE HA . . 5.500 4.698 4.574 4.746 . 0 0 "[ . 1 . 2]" 1
252 1 29 LYS QB 1 29 LYS QE . . 2.800 2.258 2.147 2.565 . 0 0 "[ . 1 . 2]" 1
253 1 26 GLY QA 1 29 LYS QB . . 4.500 3.201 2.910 3.760 . 0 0 "[ . 1 . 2]" 1
254 1 29 LYS QB 1 30 ILE H . . 3.500 2.162 1.793 2.413 . 0 0 "[ . 1 . 2]" 1
255 1 75 VAL H 1 75 VAL HB . . 3.500 2.661 2.579 2.732 . 0 0 "[ . 1 . 2]" 1
256 1 5 MET H 1 75 VAL HB . . 4.500 3.753 3.585 3.951 . 0 0 "[ . 1 . 2]" 1
257 1 29 LYS H 1 29 LYS QG . . 4.500 2.400 2.081 2.639 . 0 0 "[ . 1 . 2]" 1
258 1 29 LYS QG 1 30 ILE H . . 4.500 3.649 3.577 3.774 . 0 0 "[ . 1 . 2]" 1
259 1 29 LYS HA 1 29 LYS QG . . 3.500 3.186 2.816 3.316 . 0 0 "[ . 1 . 2]" 1
260 1 26 GLY QA 1 29 LYS QG . . 4.500 2.511 2.308 3.003 . 0 0 "[ . 1 . 2]" 1
261 1 29 LYS QE 1 29 LYS QG . . 2.800 2.491 2.346 2.860 0.060 6 0 "[ . 1 . 2]" 1
262 1 29 LYS QD 1 131 SER QB . . 5.500 3.995 2.195 4.980 . 0 0 "[ . 1 . 2]" 1
263 1 26 GLY QA 1 29 LYS QE . . 5.500 5.057 4.765 5.518 0.018 8 0 "[ . 1 . 2]" 1
264 1 30 ILE HB 1 31 ALA HA . . 5.500 4.780 4.677 4.842 . 0 0 "[ . 1 . 2]" 1
265 1 30 ILE HB 1 31 ALA H . . 3.500 2.255 2.131 2.344 . 0 0 "[ . 1 . 2]" 1
266 1 30 ILE QG 1 31 ALA H . . 5.500 4.008 3.876 4.089 . 0 0 "[ . 1 . 2]" 1
267 1 31 ALA MB 1 32 VAL QG . . 4.500 3.956 3.893 4.343 . 0 0 "[ . 1 . 2]" 1
268 1 3 LYS QE 1 31 ALA MB . . 4.500 3.212 2.869 4.524 0.024 20 0 "[ . 1 . 2]" 1
269 1 31 ALA MB 1 32 VAL HA . . 5.500 4.201 4.103 4.517 . 0 0 "[ . 1 . 2]" 1
270 1 3 LYS HA 1 31 ALA MB . . 3.500 3.275 2.832 3.515 0.015 4 0 "[ . 1 . 2]" 1
271 1 31 ALA H 1 31 ALA MB . . 3.500 2.392 2.316 2.463 . 0 0 "[ . 1 . 2]" 1
272 1 31 ALA MB 1 32 VAL H . . 3.500 3.170 3.039 3.443 . 0 0 "[ . 1 . 2]" 1
273 1 4 VAL H 1 31 ALA MB . . 4.500 3.990 3.742 4.256 . 0 0 "[ . 1 . 2]" 1
274 1 3 LYS H 1 31 ALA MB . . 5.500 5.077 4.747 5.408 . 0 0 "[ . 1 . 2]" 1
275 1 3 LYS HA 1 32 VAL HA . . 4.500 4.509 4.404 4.586 0.086 5 0 "[ . 1 . 2]" 1
276 1 4 VAL HA 1 32 VAL HA . . 5.500 4.822 4.671 5.203 . 0 0 "[ . 1 . 2]" 1
277 1 32 VAL HA 1 33 THR H . . 2.800 2.250 2.141 2.350 . 0 0 "[ . 1 . 2]" 1
278 1 4 VAL H 1 32 VAL HA . . 3.500 2.827 2.634 2.989 . 0 0 "[ . 1 . 2]" 1
279 1 31 ALA MB 1 32 VAL HB . . 5.500 5.649 5.274 5.702 0.202 17 0 "[ . 1 . 2]" 1
280 1 30 ILE QG 1 32 VAL QG . . 4.500 3.759 3.585 3.918 . 0 0 "[ . 1 . 2]" 1
281 1 23 LYS QG 1 32 VAL QG . . 3.500 2.867 2.823 2.900 . 0 0 "[ . 1 . 2]" 1
282 1 22 ALA MB 1 32 VAL QG . . 3.500 1.911 1.809 1.959 . 0 0 "[ . 1 . 2]" 1
283 1 22 ALA HA 1 32 VAL QG . . 5.500 3.481 3.415 3.573 . 0 0 "[ . 1 . 2]" 1
284 1 32 VAL QG 1 33 THR HA . . 5.500 3.837 3.312 4.040 . 0 0 "[ . 1 . 2]" 1
285 1 31 ALA HA 1 32 VAL QG . . 4.500 3.366 3.298 3.540 . 0 0 "[ . 1 . 2]" 1
286 1 6 PHE H 1 32 VAL QG . . 5.500 5.535 4.853 5.624 0.124 17 0 "[ . 1 . 2]" 1
287 1 32 VAL QG 1 34 SER H . . 5.500 5.206 4.517 5.513 0.013 12 0 "[ . 1 . 2]" 1
288 1 23 LYS H 1 32 VAL QG . . 4.500 2.438 2.284 2.646 . 0 0 "[ . 1 . 2]" 1
289 1 32 VAL QG 1 33 THR H . . 3.500 3.328 2.628 3.455 . 0 0 "[ . 1 . 2]" 1
290 1 4 VAL H 1 32 VAL QG . . 5.500 3.928 3.707 4.224 . 0 0 "[ . 1 . 2]" 1
291 1 25 LEU QB 1 123 VAL QG . . 3.500 2.982 2.604 3.482 . 0 0 "[ . 1 . 2]" 1
292 1 6 PHE QB 1 123 VAL QG . . 5.500 5.017 4.819 5.337 . 0 0 "[ . 1 . 2]" 1
293 1 31 ALA H 1 32 VAL QG . . 4.500 4.536 4.509 4.567 0.067 12 0 "[ . 1 . 2]" 1
294 1 5 MET HA 1 33 THR HA . . 4.500 4.601 4.510 4.705 0.205 13 0 "[ . 1 . 2]" 1
295 1 32 VAL HA 1 33 THR HA . . 5.500 4.495 4.464 4.559 . 0 0 "[ . 1 . 2]" 1
296 1 33 THR HA 1 34 SER H . . 3.500 2.235 2.143 2.353 . 0 0 "[ . 1 . 2]" 1
297 1 5 MET HA 1 33 THR HB . . 4.500 2.612 2.429 3.059 . 0 0 "[ . 1 . 2]" 1
298 1 6 PHE H 1 33 THR HB . . 5.500 4.138 3.808 4.515 . 0 0 "[ . 1 . 2]" 1
299 1 33 THR HB 1 34 SER H . . 4.500 3.456 3.048 4.100 . 0 0 "[ . 1 . 2]" 1
300 1 6 PHE H 1 34 SER HA . . 3.500 2.563 2.119 3.153 . 0 0 "[ . 1 . 2]" 1
301 1 34 SER HA 1 35 SER H . . 3.500 2.195 2.090 2.287 . 0 0 "[ . 1 . 2]" 1
302 1 33 THR H 1 34 SER HA . . 5.500 4.883 4.787 4.981 . 0 0 "[ . 1 . 2]" 1
303 1 19 GLU QB 1 34 SER QB . . 3.500 2.082 1.916 2.482 . 0 0 "[ . 1 . 2]" 1
304 1 11 ASN QD 1 34 SER QB . . 4.500 2.635 1.941 3.490 . 0 0 "[ . 1 . 2]" 1
305 1 6 PHE H 1 34 SER QB . . 5.500 3.944 3.115 4.971 . 0 0 "[ . 1 . 2]" 1
306 1 115 VAL HA 1 119 VAL H . . 5.500 3.701 3.544 3.953 . 0 0 "[ . 1 . 2]" 1
307 1 34 SER QB 1 35 SER H . . 5.500 3.070 2.520 3.901 . 0 0 "[ . 1 . 2]" 1
308 1 35 SER QB 1 65 ILE QG . . 5.500 4.249 3.185 5.501 0.001 13 0 "[ . 1 . 2]" 1
309 1 35 SER QB 1 65 ILE HB . . 5.500 4.272 3.269 4.937 . 0 0 "[ . 1 . 2]" 1
310 1 35 SER QB 1 65 ILE HA . . 4.500 3.347 2.451 4.045 . 0 0 "[ . 1 . 2]" 1
311 1 35 SER QB 1 65 ILE H . . 5.500 4.525 3.568 5.277 . 0 0 "[ . 1 . 2]" 1
312 1 35 SER QB 1 36 GLY H . . 4.500 2.742 2.140 3.313 . 0 0 "[ . 1 . 2]" 1
313 1 37 LEU HA 1 65 ILE HB . . 5.500 3.228 2.343 4.633 . 0 0 "[ . 1 . 2]" 1
314 1 37 LEU HA 1 37 LEU HG . . 3.500 3.349 2.834 3.427 . 0 0 "[ . 1 . 2]" 1
315 1 37 LEU HA 1 38 GLU H . . 4.500 3.533 3.498 3.580 . 0 0 "[ . 1 . 2]" 1
316 1 9 LYS QG 1 37 LEU QB . . 5.500 2.572 2.346 2.788 . 0 0 "[ . 1 . 2]" 1
317 1 37 LEU QB 1 37 LEU HG . . 2.800 2.364 2.344 2.475 . 0 0 "[ . 1 . 2]" 1
318 1 9 LYS QD 1 37 LEU QB . . 4.500 4.185 3.871 4.512 0.012 19 0 "[ . 1 . 2]" 1
319 1 9 LYS HA 1 37 LEU QB . . 4.500 2.311 2.215 2.458 . 0 0 "[ . 1 . 2]" 1
320 1 37 LEU H 1 37 LEU QB . . 3.500 2.597 2.404 2.666 . 0 0 "[ . 1 . 2]" 1
321 1 37 LEU QB 1 38 GLU H . . 4.500 2.617 2.307 2.896 . 0 0 "[ . 1 . 2]" 1
322 1 70 ALA MB 1 89 GLU QB . . 4.500 4.288 3.873 4.547 0.047 16 0 "[ . 1 . 2]" 1
323 1 37 LEU H 1 37 LEU HG . . 3.500 2.215 2.161 2.445 . 0 0 "[ . 1 . 2]" 1
324 1 37 LEU HG 1 38 GLU H . . 4.500 4.239 4.068 4.531 0.031 7 0 "[ . 1 . 2]" 1
325 1 37 LEU HA 1 38 GLU HA . . 5.500 4.687 4.555 4.795 . 0 0 "[ . 1 . 2]" 1
326 1 38 GLU HA 1 40 SER HA . . 5.500 5.603 5.482 5.745 0.245 16 0 "[ . 1 . 2]" 1
327 1 10 ARG HA 1 38 GLU QB . . 5.500 2.756 2.310 3.382 . 0 0 "[ . 1 . 2]" 1
328 1 10 ARG HA 1 38 GLU QG . . 5.500 4.049 3.410 4.575 . 0 0 "[ . 1 . 2]" 1
329 1 38 GLU QG 1 39 SER H . . 4.500 3.438 2.838 4.063 . 0 0 "[ . 1 . 2]" 1
330 1 65 ILE H 1 66 GLU QG . . 5.500 4.560 4.274 4.846 . 0 0 "[ . 1 . 2]" 1
331 1 39 SER HA 1 40 SER H . . 3.500 3.242 2.448 3.532 0.032 13 0 "[ . 1 . 2]" 1
332 1 39 SER QB 1 63 ASP HA . . 5.500 3.313 2.763 4.284 . 0 0 "[ . 1 . 2]" 1
333 1 39 SER QB 1 62 SER H . . 5.500 5.372 4.883 5.544 0.044 8 0 "[ . 1 . 2]" 1
334 1 40 SER HA 1 41 ARG H . . 4.500 2.859 2.308 3.571 . 0 0 "[ . 1 . 2]" 1
335 1 40 SER QB 1 41 ARG QG . . 5.500 4.134 2.653 5.525 0.025 16 0 "[ . 1 . 2]" 1
336 1 6 PHE QB 1 15 SER QB . . 5.500 2.319 2.050 2.775 . 0 0 "[ . 1 . 2]" 1
337 1 104 PRO HA 1 107 GLN QE . . 5.500 4.227 2.744 5.498 . 0 0 "[ . 1 . 2]" 1
338 1 104 PRO HA 1 105 ASP H . . 4.500 3.482 3.406 3.570 . 0 0 "[ . 1 . 2]" 1
339 1 40 SER QB 1 41 ARG H . . 4.500 2.548 2.028 3.193 . 0 0 "[ . 1 . 2]" 1
340 1 41 ARG HA 1 42 VAL H . . 3.500 2.597 2.265 3.084 . 0 0 "[ . 1 . 2]" 1
341 1 41 ARG QB 1 42 VAL H . . 4.500 2.501 1.976 3.672 . 0 0 "[ . 1 . 2]" 1
342 1 41 ARG H 1 41 ARG QG . . 4.500 2.534 2.043 3.995 . 0 0 "[ . 1 . 2]" 1
343 1 41 ARG QG 1 42 VAL H . . 5.500 3.046 2.376 3.496 . 0 0 "[ . 1 . 2]" 1
344 1 41 ARG QB 1 42 VAL HA . . 5.500 4.780 4.630 5.208 . 0 0 "[ . 1 . 2]" 1
345 1 16 GLN QG 1 42 VAL HA . . 5.500 4.221 2.803 5.375 . 0 0 "[ . 1 . 2]" 1
346 1 42 VAL HA 1 43 HIS H . . 3.500 2.180 2.109 2.278 . 0 0 "[ . 1 . 2]" 1
347 1 42 VAL HB 1 57 ILE H . . 5.500 5.646 5.584 5.797 0.297 8 0 "[ . 1 . 2]" 1
348 1 42 VAL H 1 42 VAL HB . . 3.500 3.589 3.567 3.601 0.101 20 0 "[ . 1 . 2]" 1
349 1 43 HIS QB 1 46 ALA MB . . 4.500 2.037 1.976 2.203 . 0 0 "[ . 1 . 2]" 1
350 1 43 HIS QB 1 44 PRO QD . . 5.500 3.399 3.354 3.446 . 0 0 "[ . 1 . 2]" 1
351 1 43 HIS QB 1 46 ALA H . . 4.500 2.808 2.634 2.942 . 0 0 "[ . 1 . 2]" 1
352 1 43 HIS H 1 43 HIS QB . . 3.500 2.243 2.163 2.276 . 0 0 "[ . 1 . 2]" 1
353 1 44 PRO HA 1 48 ALA H . . 5.500 4.589 4.130 4.756 . 0 0 "[ . 1 . 2]" 1
354 1 44 PRO HA 1 47 ILE H . . 4.500 3.750 3.578 3.868 . 0 0 "[ . 1 . 2]" 1
355 1 44 PRO HA 1 46 ALA H . . 5.500 4.635 4.513 4.778 . 0 0 "[ . 1 . 2]" 1
356 1 44 PRO HA 1 47 ILE QG . . 5.500 3.711 3.315 3.865 . 0 0 "[ . 1 . 2]" 1
357 1 44 PRO QB 1 45 THR HB . . 5.500 5.234 5.158 5.430 . 0 0 "[ . 1 . 2]" 1
358 1 44 PRO QB 1 48 ALA H . . 5.500 5.378 4.932 5.521 0.021 10 0 "[ . 1 . 2]" 1
359 1 43 HIS HA 1 44 PRO QD . . 3.500 2.108 2.082 2.152 . 0 0 "[ . 1 . 2]" 1
360 1 45 THR HA 1 48 ALA H . . 4.500 3.380 3.280 3.548 . 0 0 "[ . 1 . 2]" 1
361 1 45 THR HA 1 49 MET H . . 5.500 3.967 3.708 4.092 . 0 0 "[ . 1 . 2]" 1
362 1 45 THR HB 1 46 ALA MB . . 5.500 4.202 4.082 4.344 . 0 0 "[ . 1 . 2]" 1
363 1 43 HIS HE1 1 45 THR HB . . 5.500 2.382 2.243 2.585 . 0 0 "[ . 1 . 2]" 1
364 1 45 THR HB 1 46 ALA H . . 4.500 2.875 2.765 2.998 . 0 0 "[ . 1 . 2]" 1
365 1 46 ALA HA 1 49 MET QB . . 3.500 2.833 2.625 3.087 . 0 0 "[ . 1 . 2]" 1
366 1 44 PRO QD 1 46 ALA MB . . 5.500 4.832 4.762 4.961 . 0 0 "[ . 1 . 2]" 1
367 1 43 HIS HA 1 46 ALA MB . . 5.500 4.360 4.227 4.473 . 0 0 "[ . 1 . 2]" 1
368 1 46 ALA H 1 46 ALA MB . . 3.500 2.260 2.230 2.289 . 0 0 "[ . 1 . 2]" 1
369 1 46 ALA MB 1 112 PHE HZ . . 5.500 2.427 2.230 4.026 . 0 0 "[ . 1 . 2]" 1
370 1 46 ALA MB 1 47 ILE H . . 4.500 2.663 2.574 2.757 . 0 0 "[ . 1 . 2]" 1
371 1 17 MET H 1 46 ALA MB . . 5.500 4.658 4.319 4.932 . 0 0 "[ . 1 . 2]" 1
372 1 43 HIS H 1 46 ALA MB . . 4.500 3.238 2.965 3.581 . 0 0 "[ . 1 . 2]" 1
373 1 47 ILE HA 1 48 ALA H . . 5.500 3.609 3.597 3.620 . 0 0 "[ . 1 . 2]" 1
374 1 47 ILE HA 1 51 GLU H . . 5.500 3.892 3.749 4.088 . 0 0 "[ . 1 . 2]" 1
375 1 47 ILE HA 1 57 ILE H . . 5.500 2.944 2.608 3.600 . 0 0 "[ . 1 . 2]" 1
376 1 47 ILE HA 1 50 MET QB . . 5.500 3.250 2.916 3.485 . 0 0 "[ . 1 . 2]" 1
377 1 47 ILE H 1 47 ILE HB . . 3.500 2.563 2.480 2.642 . 0 0 "[ . 1 . 2]" 1
378 1 47 ILE HB 1 48 ALA H . . 3.500 2.650 2.509 2.740 . 0 0 "[ . 1 . 2]" 1
379 1 46 ALA H 1 47 ILE HB . . 5.500 5.010 4.818 5.118 . 0 0 "[ . 1 . 2]" 1
380 1 44 PRO HA 1 47 ILE HB . . 3.500 3.170 2.701 3.280 . 0 0 "[ . 1 . 2]" 1
381 1 45 THR HA 1 47 ILE HB . . 5.500 5.045 4.846 5.264 . 0 0 "[ . 1 . 2]" 1
382 1 44 PRO QB 1 47 ILE HB . . 5.500 4.769 4.364 4.877 . 0 0 "[ . 1 . 2]" 1
383 1 47 ILE HB 1 48 ALA MB . . 5.500 4.070 3.973 4.147 . 0 0 "[ . 1 . 2]" 1
384 1 47 ILE QG 1 58 SER QB . . 4.500 2.429 2.367 2.515 . 0 0 "[ . 1 . 2]" 1
385 1 47 ILE QG 1 58 SER HA . . 5.500 2.506 2.388 2.748 . 0 0 "[ . 1 . 2]" 1
386 1 47 ILE QG 1 48 ALA H . . 5.500 4.224 4.173 4.257 . 0 0 "[ . 1 . 2]" 1
387 1 47 ILE H 1 47 ILE QG . . 4.500 2.134 2.076 2.218 . 0 0 "[ . 1 . 2]" 1
388 1 48 ALA HA 1 51 GLU H . . 4.500 3.801 3.662 3.953 . 0 0 "[ . 1 . 2]" 1
389 1 48 ALA HA 1 49 MET H . . 4.500 3.603 3.590 3.610 . 0 0 "[ . 1 . 2]" 1
390 1 48 ALA MB 1 49 MET H . . 3.500 2.206 2.085 2.279 . 0 0 "[ . 1 . 2]" 1
391 1 48 ALA MB 1 113 ARG HE . . 5.500 5.539 5.458 5.595 0.095 18 0 "[ . 1 . 2]" 1
392 1 48 ALA MB 1 51 GLU H . . 5.500 4.803 4.706 4.885 . 0 0 "[ . 1 . 2]" 1
393 1 48 ALA H 1 48 ALA MB . . 3.500 2.214 2.193 2.249 . 0 0 "[ . 1 . 2]" 1
394 1 46 ALA H 1 48 ALA MB . . 5.500 4.905 4.618 5.025 . 0 0 "[ . 1 . 2]" 1
395 1 48 ALA MB 1 49 MET HA . . 5.500 3.757 3.706 3.803 . 0 0 "[ . 1 . 2]" 1
396 1 45 THR HA 1 48 ALA MB . . 3.500 2.696 2.305 2.880 . 0 0 "[ . 1 . 2]" 1
397 1 45 THR HB 1 48 ALA MB . . 5.500 4.998 4.710 5.161 . 0 0 "[ . 1 . 2]" 1
398 1 48 ALA MB 1 50 MET QG . . 5.500 5.594 5.577 5.626 0.126 16 0 "[ . 1 . 2]" 1
399 1 48 ALA MB 1 49 MET QG . . 4.500 3.097 2.737 4.048 . 0 0 "[ . 1 . 2]" 1
400 1 49 MET HA 1 52 GLU QB . . 4.500 2.943 2.601 3.752 . 0 0 "[ . 1 . 2]" 1
401 1 49 MET HA 1 52 GLU QG . . 4.500 2.974 2.250 3.484 . 0 0 "[ . 1 . 2]" 1
402 1 49 MET HA 1 52 GLU H . . 4.500 3.568 3.323 3.773 . 0 0 "[ . 1 . 2]" 1
403 1 49 MET HA 1 50 MET H . . 5.500 3.509 3.447 3.552 . 0 0 "[ . 1 . 2]" 1
404 1 49 MET HA 1 51 GLU H . . 5.500 4.649 4.407 4.763 . 0 0 "[ . 1 . 2]" 1
405 1 49 MET QB 1 50 MET H . . 4.500 2.964 2.865 3.255 . 0 0 "[ . 1 . 2]" 1
406 1 49 MET QG 1 112 PHE QB . . 4.500 2.135 1.980 2.380 . 0 0 "[ . 1 . 2]" 1
407 1 49 MET H 1 49 MET QG . . 3.500 2.269 2.037 3.468 . 0 0 "[ . 1 . 2]" 1
408 1 47 ILE QG 1 50 MET QB . . 5.500 4.935 4.642 5.074 . 0 0 "[ . 1 . 2]" 1
409 1 50 MET H 1 50 MET QB . . 3.500 2.437 2.401 2.493 . 0 0 "[ . 1 . 2]" 1
410 1 50 MET QG 1 51 GLU H . . 5.500 4.194 4.135 4.291 . 0 0 "[ . 1 . 2]" 1
411 1 50 MET H 1 50 MET QG . . 3.500 2.389 2.298 2.595 . 0 0 "[ . 1 . 2]" 1
412 1 51 GLU HA 1 54 GLY H . . 3.500 3.321 3.156 3.407 . 0 0 "[ . 1 . 2]" 1
413 1 51 GLU HA 1 55 ILE H . . 3.500 2.693 2.587 2.780 . 0 0 "[ . 1 . 2]" 1
414 1 51 GLU HA 1 52 GLU H . . 4.500 3.591 3.574 3.624 . 0 0 "[ . 1 . 2]" 1
415 1 51 GLU HA 1 53 VAL H . . 4.500 3.967 3.845 4.094 . 0 0 "[ . 1 . 2]" 1
416 1 51 GLU HA 1 54 GLY QA . . 4.500 3.832 3.629 3.957 . 0 0 "[ . 1 . 2]" 1
417 1 51 GLU HA 1 51 GLU QG . . 3.500 2.658 2.219 3.149 . 0 0 "[ . 1 . 2]" 1
418 1 48 ALA MB 1 51 GLU QB . . 4.500 4.290 4.138 4.487 . 0 0 "[ . 1 . 2]" 1
419 1 48 ALA HA 1 51 GLU QB . . 3.500 2.894 2.701 3.159 . 0 0 "[ . 1 . 2]" 1
420 1 51 GLU H 1 51 GLU QB . . 3.500 2.222 2.197 2.337 . 0 0 "[ . 1 . 2]" 1
421 1 51 GLU QB 1 52 GLU H . . 4.500 2.761 2.658 2.958 . 0 0 "[ . 1 . 2]" 1
422 1 50 MET H 1 51 GLU QB . . 5.500 4.202 4.118 4.404 . 0 0 "[ . 1 . 2]" 1
423 1 51 GLU QB 1 54 GLY QA . . 5.500 5.353 4.960 5.518 0.018 10 0 "[ . 1 . 2]" 1
424 1 51 GLU H 1 51 GLU QG . . 4.500 3.790 2.578 4.048 . 0 0 "[ . 1 . 2]" 1
425 1 51 GLU QG 1 52 GLU H . . 5.500 3.756 3.445 4.515 . 0 0 "[ . 1 . 2]" 1
426 1 48 ALA HA 1 51 GLU QG . . 5.500 4.435 3.922 4.551 . 0 0 "[ . 1 . 2]" 1
427 1 48 ALA MB 1 51 GLU QG . . 5.500 5.450 5.068 5.524 0.024 17 0 "[ . 1 . 2]" 1
428 1 52 GLU HA 1 54 GLY H . . 5.500 3.970 3.797 4.125 . 0 0 "[ . 1 . 2]" 1
429 1 52 GLU HA 1 53 VAL H . . 4.500 3.540 3.501 3.565 . 0 0 "[ . 1 . 2]" 1
430 1 52 GLU HA 1 53 VAL QG . . 5.500 4.425 4.254 4.920 . 0 0 "[ . 1 . 2]" 1
431 1 52 GLU QB 1 53 VAL H . . 5.500 2.884 2.592 3.655 . 0 0 "[ . 1 . 2]" 1
432 1 52 GLU H 1 52 GLU QB . . 2.800 2.385 2.283 2.672 . 0 0 "[ . 1 . 2]" 1
433 1 52 GLU QB 1 53 VAL QG . . 4.500 3.035 2.647 4.485 . 0 0 "[ . 1 . 2]" 1
434 1 52 GLU H 1 52 GLU QG . . 3.500 2.335 1.923 2.568 . 0 0 "[ . 1 . 2]" 1
435 1 52 GLU QG 1 53 VAL QG . . 5.500 4.327 2.963 4.534 . 0 0 "[ . 1 . 2]" 1
436 1 49 MET QB 1 53 VAL QG . . 4.500 4.235 4.084 4.519 0.019 9 0 "[ . 1 . 2]" 1
437 1 53 VAL QG 1 116 ARG QG . . 3.500 3.030 2.710 3.362 . 0 0 "[ . 1 . 2]" 1
438 1 53 VAL QG 1 120 LYS QE . . 5.500 4.297 3.282 5.037 . 0 0 "[ . 1 . 2]" 1
439 1 53 VAL QG 1 116 ARG QD . . 4.500 2.288 1.866 3.485 . 0 0 "[ . 1 . 2]" 1
440 1 53 VAL H 1 53 VAL QG . . 3.500 2.053 1.992 2.151 . 0 0 "[ . 1 . 2]" 1
441 1 54 GLY QA 1 55 ILE QG . . 5.500 3.382 3.247 3.546 . 0 0 "[ . 1 . 2]" 1
442 1 24 THR HB 1 54 GLY QA . . 5.500 5.578 5.550 5.618 0.118 10 0 "[ . 1 . 2]" 1
443 1 53 VAL H 1 54 GLY QA . . 5.500 4.482 4.423 4.560 . 0 0 "[ . 1 . 2]" 1
444 1 55 ILE HA 1 55 ILE QG . . 3.500 2.527 2.378 2.652 . 0 0 "[ . 1 . 2]" 1
445 1 55 ILE HA 1 56 ASP H . . 3.500 2.412 2.102 2.643 . 0 0 "[ . 1 . 2]" 1
446 1 55 ILE HA 1 57 ILE H . . 5.500 5.463 5.141 5.573 0.073 16 0 "[ . 1 . 2]" 1
447 1 50 MET QB 1 55 ILE HB . . 5.500 2.266 2.115 2.406 . 0 0 "[ . 1 . 2]" 1
448 1 55 ILE H 1 55 ILE HB . . 3.500 2.617 2.448 2.745 . 0 0 "[ . 1 . 2]" 1
449 1 55 ILE H 1 55 ILE QG . . 4.500 2.636 2.479 2.902 . 0 0 "[ . 1 . 2]" 1
450 1 56 ASP QB 1 57 ILE H . . 5.500 3.973 3.617 4.032 . 0 0 "[ . 1 . 2]" 1
451 1 57 ILE HA 1 60 GLN H . . 5.500 3.519 3.317 4.151 . 0 0 "[ . 1 . 2]" 1
452 1 57 ILE HA 1 58 SER H . . 4.500 3.352 3.277 3.418 . 0 0 "[ . 1 . 2]" 1
453 1 57 ILE HB 1 60 GLN QB . . 4.500 2.689 2.311 3.252 . 0 0 "[ . 1 . 2]" 1
454 1 47 ILE HA 1 57 ILE HB . . 5.500 5.010 4.835 5.196 . 0 0 "[ . 1 . 2]" 1
455 1 16 GLN HA 1 57 ILE HB . . 5.500 5.141 4.395 5.592 0.092 11 0 "[ . 1 . 2]" 1
456 1 57 ILE HB 1 60 GLN QE . . 4.500 3.857 2.917 4.324 . 0 0 "[ . 1 . 2]" 1
457 1 47 ILE HA 1 57 ILE QG . . 4.500 2.201 2.082 2.328 . 0 0 "[ . 1 . 2]" 1
458 1 57 ILE H 1 57 ILE QG . . 3.500 2.339 2.253 2.512 . 0 0 "[ . 1 . 2]" 1
459 1 58 SER HA 1 58 SER QB . . 2.800 2.220 2.096 2.335 . 0 0 "[ . 1 . 2]" 1
460 1 47 ILE HB 1 58 SER QB . . 5.500 4.246 4.161 4.327 . 0 0 "[ . 1 . 2]" 1
461 1 58 SER QB 1 60 GLN H . . 5.500 4.802 4.645 5.184 . 0 0 "[ . 1 . 2]" 1
462 1 47 ILE H 1 58 SER QB . . 5.500 5.588 5.555 5.621 0.121 9 0 "[ . 1 . 2]" 1
463 1 58 SER QB 1 59 GLY H . . 5.500 3.204 2.739 3.752 . 0 0 "[ . 1 . 2]" 1
464 1 59 GLY QA 1 60 GLN H . . 5.500 2.961 2.635 3.013 . 0 0 "[ . 1 . 2]" 1
465 1 60 GLN HA 1 60 GLN QG . . 3.500 2.380 2.174 2.783 . 0 0 "[ . 1 . 2]" 1
466 1 60 GLN HA 1 61 THR H . . 3.500 2.341 2.234 2.606 . 0 0 "[ . 1 . 2]" 1
467 1 60 GLN H 1 60 GLN QB . . 3.500 2.257 2.139 2.425 . 0 0 "[ . 1 . 2]" 1
468 1 60 GLN QB 1 61 THR H . . 4.500 3.402 2.411 3.707 . 0 0 "[ . 1 . 2]" 1
469 1 60 GLN QG 1 61 THR H . . 5.500 2.481 1.940 3.123 . 0 0 "[ . 1 . 2]" 1
470 1 60 GLN H 1 60 GLN QG . . 4.500 3.944 3.309 4.107 . 0 0 "[ . 1 . 2]" 1
471 1 57 ILE HA 1 60 GLN QG . . 4.500 3.937 3.094 4.291 . 0 0 "[ . 1 . 2]" 1
472 1 61 THR HA 1 62 SER QB . . 5.500 4.237 4.008 4.554 . 0 0 "[ . 1 . 2]" 1
473 1 16 GLN QE 1 61 THR HA . . 5.500 3.930 3.191 4.382 . 0 0 "[ . 1 . 2]" 1
474 1 61 THR HA 1 62 SER H . . 3.500 2.269 2.175 2.365 . 0 0 "[ . 1 . 2]" 1
475 1 61 THR HB 1 62 SER H . . 4.500 3.782 2.640 3.988 . 0 0 "[ . 1 . 2]" 1
476 1 63 ASP HA 1 64 PRO QG . . 4.500 4.080 4.016 4.142 . 0 0 "[ . 1 . 2]" 1
477 1 63 ASP HA 1 64 PRO QD . . 2.800 2.131 2.077 2.188 . 0 0 "[ . 1 . 2]" 1
478 1 35 SER QB 1 63 ASP QB . . 5.500 3.032 2.323 3.849 . 0 0 "[ . 1 . 2]" 1
479 1 35 SER HA 1 63 ASP QB . . 4.500 3.031 2.532 4.065 . 0 0 "[ . 1 . 2]" 1
480 1 64 PRO QB 1 65 ILE H . . 5.500 2.949 2.833 3.440 . 0 0 "[ . 1 . 2]" 1
481 1 64 PRO QB 1 66 GLU H . . 4.500 2.832 2.494 3.183 . 0 0 "[ . 1 . 2]" 1
482 1 64 PRO QB 1 67 ASN H . . 5.500 3.508 3.174 3.706 . 0 0 "[ . 1 . 2]" 1
483 1 63 ASP QB 1 64 PRO QD . . 4.500 3.426 3.306 3.561 . 0 0 "[ . 1 . 2]" 1
484 1 64 PRO QD 1 67 ASN QD . . 4.500 2.903 2.177 3.711 . 0 0 "[ . 1 . 2]" 1
485 1 65 ILE HA 1 65 ILE QG . . 3.500 2.427 2.124 2.980 . 0 0 "[ . 1 . 2]" 1
486 1 65 ILE HA 1 67 ASN H . . 5.500 4.019 3.557 4.162 . 0 0 "[ . 1 . 2]" 1
487 1 65 ILE HA 1 68 PHE H . . 5.500 3.704 3.118 4.014 . 0 0 "[ . 1 . 2]" 1
488 1 65 ILE HA 1 66 GLU H . . 4.500 3.495 3.334 3.571 . 0 0 "[ . 1 . 2]" 1
489 1 65 ILE H 1 65 ILE HB . . 3.500 2.313 2.184 2.379 . 0 0 "[ . 1 . 2]" 1
490 1 65 ILE QG 1 90 TRP HE1 . . 5.500 2.461 2.263 2.764 . 0 0 "[ . 1 . 2]" 1
491 1 66 GLU HA 1 66 GLU QG . . 3.500 2.325 2.279 2.362 . 0 0 "[ . 1 . 2]" 1
492 1 66 GLU HA 1 67 ASN H . . 4.500 3.395 3.356 3.443 . 0 0 "[ . 1 . 2]" 1
493 1 66 GLU HA 1 68 PHE H . . 4.500 4.384 4.164 4.504 0.004 9 0 "[ . 1 . 2]" 1
494 1 38 GLU QG 1 40 SER QB . . 5.500 2.335 2.040 3.787 . 0 0 "[ . 1 . 2]" 1
495 1 66 GLU H 1 66 GLU QG . . 3.500 2.596 2.418 2.705 . 0 0 "[ . 1 . 2]" 1
496 1 66 GLU HA 1 67 ASN HA . . 5.500 4.665 4.624 4.705 . 0 0 "[ . 1 . 2]" 1
497 1 67 ASN HA 1 67 ASN QD . . 4.500 3.890 3.768 4.020 . 0 0 "[ . 1 . 2]" 1
498 1 67 ASN HA 1 68 PHE H . . 4.500 3.582 3.540 3.610 . 0 0 "[ . 1 . 2]" 1
499 1 67 ASN H 1 67 ASN QB . . 3.500 2.331 2.271 2.392 . 0 0 "[ . 1 . 2]" 1
500 1 64 PRO QD 1 67 ASN QB . . 5.500 2.414 2.219 3.257 . 0 0 "[ . 1 . 2]" 1
501 1 68 PHE QB 1 69 ASN H . . 4.500 3.140 2.794 3.341 . 0 0 "[ . 1 . 2]" 1
502 1 69 ASN QB 1 71 ASP QB . . 4.500 3.597 2.989 4.464 . 0 0 "[ . 1 . 2]" 1
503 1 69 ASN QB 1 71 ASP H . . 4.500 3.246 2.646 3.967 . 0 0 "[ . 1 . 2]" 1
504 1 69 ASN QB 1 70 ALA H . . 4.500 3.512 3.133 3.970 . 0 0 "[ . 1 . 2]" 1
505 1 69 ASN H 1 69 ASN QB . . 3.500 2.995 2.530 3.433 . 0 0 "[ . 1 . 2]" 1
506 1 70 ALA HA 1 76 VAL QG . . 5.500 3.504 3.274 3.734 . 0 0 "[ . 1 . 2]" 1
507 1 70 ALA HA 1 71 ASP H . . 4.500 3.240 3.078 3.319 . 0 0 "[ . 1 . 2]" 1
508 1 70 ALA HA 1 72 ASP H . . 5.500 3.889 3.606 4.173 . 0 0 "[ . 1 . 2]" 1
509 1 70 ALA MB 1 76 VAL QG . . 5.500 2.204 2.125 2.369 . 0 0 "[ . 1 . 2]" 1
510 1 70 ALA MB 1 93 GLN QG . . 5.500 2.231 2.080 2.625 . 0 0 "[ . 1 . 2]" 1
511 1 70 ALA MB 1 90 TRP QB . . 5.500 2.992 2.707 3.577 . 0 0 "[ . 1 . 2]" 1
512 1 70 ALA MB 1 90 TRP HA . . 3.500 2.097 2.022 2.178 . 0 0 "[ . 1 . 2]" 1
513 1 70 ALA MB 1 93 GLN QE . . 4.500 2.514 2.344 2.719 . 0 0 "[ . 1 . 2]" 1
514 1 70 ALA MB 1 91 VAL H . . 5.500 4.656 4.110 4.974 . 0 0 "[ . 1 . 2]" 1
515 1 70 ALA MB 1 71 ASP H . . 3.500 3.487 3.386 3.550 0.050 6 0 "[ . 1 . 2]" 1
516 1 68 PHE HZ 1 70 ALA MB . . 5.500 2.310 2.216 2.675 . 0 0 "[ . 1 . 2]" 1
517 1 70 ALA H 1 70 ALA MB . . 3.500 2.176 2.124 2.231 . 0 0 "[ . 1 . 2]" 1
518 1 70 ALA MB 1 90 TRP H . . 5.500 4.170 3.456 4.330 . 0 0 "[ . 1 . 2]" 1
519 1 70 ALA MB 1 90 TRP HE1 . . 5.500 5.179 4.415 5.512 0.012 13 0 "[ . 1 . 2]" 1
520 1 70 ALA MB 1 71 ASP HA . . 4.500 4.057 3.940 4.244 . 0 0 "[ . 1 . 2]" 1
521 1 71 ASP HA 1 93 GLN QE . . 3.500 3.297 2.533 3.518 0.018 8 0 "[ . 1 . 2]" 1
522 1 70 ALA MB 1 71 ASP QB . . 5.500 4.494 4.382 4.946 . 0 0 "[ . 1 . 2]" 1
523 1 71 ASP QB 1 72 ASP QB . . 5.500 3.735 3.612 3.926 . 0 0 "[ . 1 . 2]" 1
524 1 71 ASP QB 1 72 ASP H . . 4.500 2.812 2.752 2.850 . 0 0 "[ . 1 . 2]" 1
525 1 71 ASP H 1 71 ASP QB . . 3.500 2.252 2.201 2.330 . 0 0 "[ . 1 . 2]" 1
526 1 72 ASP H 1 72 ASP QB . . 3.500 2.257 2.228 2.312 . 0 0 "[ . 1 . 2]" 1
527 1 72 ASP QB 1 73 TYR H . . 4.500 3.425 3.122 3.519 . 0 0 "[ . 1 . 2]" 1
528 1 73 TYR HA 1 74 ASP QB . . 5.500 4.325 4.089 4.439 . 0 0 "[ . 1 . 2]" 1
529 1 73 TYR HA 1 75 VAL H . . 5.500 3.499 3.337 3.808 . 0 0 "[ . 1 . 2]" 1
530 1 73 TYR HA 1 74 ASP H . . 3.500 2.248 2.158 2.341 . 0 0 "[ . 1 . 2]" 1
531 1 3 LYS H 1 73 TYR HA . . 5.500 3.576 3.268 4.062 . 0 0 "[ . 1 . 2]" 1
532 1 73 TYR QB 1 74 ASP H . . 4.500 3.745 2.976 3.892 . 0 0 "[ . 1 . 2]" 1
533 1 73 TYR QB 1 75 VAL H . . 4.500 3.367 2.862 3.600 . 0 0 "[ . 1 . 2]" 1
534 1 73 TYR QB 1 76 VAL QG . . 4.500 2.679 2.508 2.930 . 0 0 "[ . 1 . 2]" 1
535 1 74 ASP QB 1 75 VAL QG . . 3.500 2.513 2.261 3.040 . 0 0 "[ . 1 . 2]" 1
536 1 2 LYS QD 1 74 ASP QB . . 4.500 3.535 2.581 4.354 . 0 0 "[ . 1 . 2]" 1
537 1 74 ASP QB 1 75 VAL HB . . 5.500 4.369 3.955 4.804 . 0 0 "[ . 1 . 2]" 1
538 1 2 LYS QB 1 74 ASP QB . . 5.500 3.194 2.455 3.522 . 0 0 "[ . 1 . 2]" 1
539 1 73 TYR QB 1 74 ASP QB . . 5.500 5.118 4.647 5.319 . 0 0 "[ . 1 . 2]" 1
540 1 74 ASP QB 1 75 VAL H . . 4.500 2.970 2.623 3.434 . 0 0 "[ . 1 . 2]" 1
541 1 3 LYS H 1 74 ASP QB . . 4.500 3.860 2.792 4.200 . 0 0 "[ . 1 . 2]" 1
542 1 75 VAL QG 1 76 VAL QG . . 4.500 4.013 3.929 4.131 . 0 0 "[ . 1 . 2]" 1
543 1 75 VAL QG 1 95 ILE HB . . 2.800 2.054 1.969 2.136 . 0 0 "[ . 1 . 2]" 1
544 1 75 VAL QG 1 76 VAL HA . . 5.500 3.830 3.689 4.059 . 0 0 "[ . 1 . 2]" 1
545 1 75 VAL QG 1 95 ILE H . . 5.500 3.564 3.301 3.721 . 0 0 "[ . 1 . 2]" 1
546 1 75 VAL QG 1 76 VAL H . . 3.500 3.027 2.843 3.354 . 0 0 "[ . 1 . 2]" 1
547 1 75 VAL QG 1 77 ILE H . . 5.500 4.457 4.113 4.731 . 0 0 "[ . 1 . 2]" 1
548 1 5 MET H 1 75 VAL QG . . 5.500 3.723 3.556 3.905 . 0 0 "[ . 1 . 2]" 1
549 1 5 MET H 1 76 VAL HA . . 4.500 2.721 2.625 2.881 . 0 0 "[ . 1 . 2]" 1
550 1 76 VAL HA 1 77 ILE H . . 3.500 2.172 2.119 2.228 . 0 0 "[ . 1 . 2]" 1
551 1 76 VAL HA 1 77 ILE HB . . 5.500 4.453 4.163 4.684 . 0 0 "[ . 1 . 2]" 1
552 1 76 VAL HB 1 96 PHE QB . . 5.500 3.507 3.333 3.709 . 0 0 "[ . 1 . 2]" 1
553 1 76 VAL HB 1 96 PHE HA . . 4.500 3.626 3.183 4.023 . 0 0 "[ . 1 . 2]" 1
554 1 68 PHE HZ 1 76 VAL HB . . 5.500 5.201 4.612 5.515 0.015 17 0 "[ . 1 . 2]" 1
555 1 76 VAL H 1 76 VAL HB . . 3.500 2.763 2.625 2.828 . 0 0 "[ . 1 . 2]" 1
556 1 76 VAL HB 1 77 ILE H . . 5.500 4.152 4.080 4.274 . 0 0 "[ . 1 . 2]" 1
557 1 76 VAL QG 1 91 VAL QG . . 5.500 3.977 3.741 4.275 . 0 0 "[ . 1 . 2]" 1
558 1 76 VAL QG 1 90 TRP QB . . 3.500 2.911 2.627 3.518 0.018 20 0 "[ . 1 . 2]" 1
559 1 76 VAL QG 1 90 TRP HA . . 4.500 3.297 2.922 3.565 . 0 0 "[ . 1 . 2]" 1
560 1 76 VAL QG 1 77 ILE H . . 3.500 2.573 2.462 2.756 . 0 0 "[ . 1 . 2]" 1
561 1 76 VAL QG 1 77 ILE HB . . 4.500 4.526 4.449 4.561 0.061 8 0 "[ . 1 . 2]" 1
562 1 76 VAL QG 1 93 GLN QB . . 4.500 2.588 2.431 2.847 . 0 0 "[ . 1 . 2]" 1
563 1 76 VAL QG 1 97 GLU H . . 5.500 4.607 4.290 4.841 . 0 0 "[ . 1 . 2]" 1
564 1 75 VAL H 1 76 VAL QG . . 5.500 3.710 3.422 3.951 . 0 0 "[ . 1 . 2]" 1
565 1 5 MET H 1 76 VAL QG . . 4.500 3.378 3.184 3.638 . 0 0 "[ . 1 . 2]" 1
566 1 77 ILE HA 1 78 SER QB . . 5.500 4.127 3.936 4.350 . 0 0 "[ . 1 . 2]" 1
567 1 77 ILE HA 1 96 PHE HA . . 5.500 4.035 3.787 4.287 . 0 0 "[ . 1 . 2]" 1
568 1 77 ILE HA 1 97 GLU H . . 3.500 2.680 2.568 2.775 . 0 0 "[ . 1 . 2]" 1
569 1 77 ILE HA 1 78 SER H . . 3.500 2.134 2.071 2.183 . 0 0 "[ . 1 . 2]" 1
570 1 77 ILE HA 1 99 TRP H . . 5.500 5.367 4.844 5.537 0.037 18 0 "[ . 1 . 2]" 1
571 1 6 PHE HA 1 77 ILE HB . . 4.500 2.444 2.157 3.177 . 0 0 "[ . 1 . 2]" 1
572 1 77 ILE H 1 77 ILE HB . . 3.500 2.564 2.367 2.765 . 0 0 "[ . 1 . 2]" 1
573 1 7 VAL H 1 77 ILE HB . . 5.500 3.596 3.239 4.470 . 0 0 "[ . 1 . 2]" 1
574 1 79 LEU QB 1 101 LEU HG . . 4.500 3.926 3.451 4.470 . 0 0 "[ . 1 . 2]" 1
575 1 79 LEU QB 1 101 LEU QB . . 5.500 3.206 2.614 3.662 . 0 0 "[ . 1 . 2]" 1
576 1 18 ALA MB 1 79 LEU HG . . 4.500 3.814 2.749 4.156 . 0 0 "[ . 1 . 2]" 1
577 1 79 LEU HA 1 79 LEU HG . . 4.500 3.208 2.925 3.715 . 0 0 "[ . 1 . 2]" 1
578 1 79 LEU H 1 79 LEU HG . . 4.500 3.255 2.545 4.514 0.014 8 0 "[ . 1 . 2]" 1
579 1 79 LEU HG 1 99 TRP H . . 5.500 5.267 4.716 5.674 0.174 16 0 "[ . 1 . 2]" 1
580 1 83 GLY QA 1 86 LEU HG . . 5.500 2.797 2.209 4.554 . 0 0 "[ . 1 . 2]" 1
581 1 84 VAL HA 1 86 LEU H . . 5.500 3.815 3.613 4.363 . 0 0 "[ . 1 . 2]" 1
582 1 82 CYS H 1 84 VAL QG . . 5.500 5.190 4.756 5.543 0.043 19 0 "[ . 1 . 2]" 1
583 1 86 LEU HA 1 90 TRP HD1 . . 5.500 5.049 4.543 5.568 0.068 20 0 "[ . 1 . 2]" 1
584 1 86 LEU HA 1 87 PRO QD . . 3.500 2.061 1.998 2.187 . 0 0 "[ . 1 . 2]" 1
585 1 86 LEU HA 1 87 PRO QG . . 4.500 3.946 3.806 4.132 . 0 0 "[ . 1 . 2]" 1
586 1 86 LEU HA 1 86 LEU HG . . 4.500 3.166 2.235 3.402 . 0 0 "[ . 1 . 2]" 1
587 1 86 LEU QB 1 87 PRO QD . . 5.500 2.432 2.212 2.860 . 0 0 "[ . 1 . 2]" 1
588 1 86 LEU QB 1 90 TRP QB . . 5.500 2.989 2.609 3.426 . 0 0 "[ . 1 . 2]" 1
589 1 86 LEU QB 1 86 LEU HG . . 2.800 2.369 2.320 2.461 . 0 0 "[ . 1 . 2]" 1
590 1 86 LEU QB 1 91 VAL QG . . 4.500 2.197 2.011 2.544 . 0 0 "[ . 1 . 2]" 1
591 1 85 ASN H 1 86 LEU HG . . 5.500 3.981 3.605 5.580 0.080 17 0 "[ . 1 . 2]" 1
592 1 86 LEU H 1 86 LEU HG . . 4.500 2.525 2.212 3.887 . 0 0 "[ . 1 . 2]" 1
593 1 86 LEU HG 1 91 VAL QG . . 5.500 4.020 3.741 4.563 . 0 0 "[ . 1 . 2]" 1
594 1 88 PRO HA 1 91 VAL QG . . 3.500 2.750 2.155 3.505 0.005 20 0 "[ . 1 . 2]" 1
595 1 88 PRO HA 1 91 VAL HB . . 5.500 3.115 2.204 5.207 . 0 0 "[ . 1 . 2]" 1
596 1 88 PRO HA 1 91 VAL H . . 4.500 3.583 3.137 4.434 . 0 0 "[ . 1 . 2]" 1
597 1 88 PRO HA 1 90 TRP H . . 5.500 4.302 4.030 4.617 . 0 0 "[ . 1 . 2]" 1
598 1 88 PRO HA 1 89 GLU H . . 4.500 3.362 2.481 3.662 . 0 0 "[ . 1 . 2]" 1
599 1 88 PRO QB 1 89 GLU H . . 5.500 3.441 2.907 4.036 . 0 0 "[ . 1 . 2]" 1
600 1 88 PRO QB 1 91 VAL QG . . 5.500 3.895 3.516 4.609 . 0 0 "[ . 1 . 2]" 1
601 1 70 ALA MB 1 89 GLU HA . . 5.500 4.966 4.141 5.231 . 0 0 "[ . 1 . 2]" 1
602 1 89 GLU HA 1 89 GLU QG . . 3.500 3.277 2.682 3.506 0.006 1 0 "[ . 1 . 2]" 1
603 1 89 GLU HA 1 92 THR H . . 5.500 3.467 3.109 4.138 . 0 0 "[ . 1 . 2]" 1
604 1 89 GLU HA 1 91 VAL H . . 5.500 3.818 3.373 4.720 . 0 0 "[ . 1 . 2]" 1
605 1 89 GLU HA 1 90 TRP H . . 4.500 3.592 3.563 3.631 . 0 0 "[ . 1 . 2]" 1
606 1 70 ALA MB 1 89 GLU QG . . 5.500 4.054 2.052 4.514 . 0 0 "[ . 1 . 2]" 1
607 1 89 GLU QG 1 90 TRP H . . 4.500 2.694 2.288 3.767 . 0 0 "[ . 1 . 2]" 1
608 1 89 GLU H 1 89 GLU QG . . 4.500 2.844 1.861 4.230 . 0 0 "[ . 1 . 2]" 1
609 1 90 TRP HA 1 93 GLN QG . . 5.500 3.550 2.915 4.751 . 0 0 "[ . 1 . 2]" 1
610 1 90 TRP HA 1 93 GLN QE . . 5.500 3.380 3.104 4.171 . 0 0 "[ . 1 . 2]" 1
611 1 90 TRP HA 1 91 VAL H . . 4.500 3.333 3.080 3.545 . 0 0 "[ . 1 . 2]" 1
612 1 68 PHE HZ 1 90 TRP HA . . 4.500 3.921 3.625 4.257 . 0 0 "[ . 1 . 2]" 1
613 1 90 TRP QB 1 91 VAL QG . . 5.500 3.219 3.010 3.412 . 0 0 "[ . 1 . 2]" 1
614 1 90 TRP QB 1 91 VAL H . . 5.500 3.341 2.872 3.692 . 0 0 "[ . 1 . 2]" 1
615 1 70 ALA MB 1 91 VAL HA . . 5.500 5.392 5.103 5.540 0.040 8 0 "[ . 1 . 2]" 1
616 1 90 TRP QB 1 91 VAL HA . . 5.500 4.352 4.173 4.598 . 0 0 "[ . 1 . 2]" 1
617 1 91 VAL HA 1 96 PHE QB . . 4.500 3.224 3.032 3.458 . 0 0 "[ . 1 . 2]" 1
618 1 89 GLU H 1 91 VAL HB . . 5.500 5.248 4.935 5.581 0.081 11 0 "[ . 1 . 2]" 1
619 1 91 VAL QG 1 92 THR HA . . 3.500 3.330 3.185 3.505 0.005 10 0 "[ . 1 . 2]" 1
620 1 91 VAL H 1 91 VAL QG . . 3.500 2.546 1.947 3.002 . 0 0 "[ . 1 . 2]" 1
621 1 92 THR HA 1 93 GLN H . . 4.500 2.980 2.520 3.332 . 0 0 "[ . 1 . 2]" 1
622 1 93 GLN HA 1 94 GLU H . . 3.500 2.399 2.169 2.466 . 0 0 "[ . 1 . 2]" 1
623 1 93 GLN HA 1 95 ILE H . . 5.500 4.677 4.494 4.831 . 0 0 "[ . 1 . 2]" 1
624 1 74 ASP HA 1 93 GLN QB . . 5.500 2.924 2.190 3.392 . 0 0 "[ . 1 . 2]" 1
625 1 93 GLN QB 1 94 GLU H . . 3.500 2.312 2.233 2.530 . 0 0 "[ . 1 . 2]" 1
626 1 76 VAL QG 1 93 GLN QG . . 4.500 2.388 2.087 2.831 . 0 0 "[ . 1 . 2]" 1
627 1 93 GLN H 1 93 GLN QG . . 4.500 2.739 2.260 3.585 . 0 0 "[ . 1 . 2]" 1
628 1 94 GLU HA 1 95 ILE QG . . 5.500 4.437 4.353 4.587 . 0 0 "[ . 1 . 2]" 1
629 1 94 GLU HA 1 94 GLU QG . . 3.500 2.332 2.253 2.827 . 0 0 "[ . 1 . 2]" 1
630 1 94 GLU HA 1 95 ILE H . . 4.500 3.577 3.558 3.594 . 0 0 "[ . 1 . 2]" 1
631 1 94 GLU H 1 94 GLU QB . . 3.500 2.149 2.050 2.186 . 0 0 "[ . 1 . 2]" 1
632 1 94 GLU QB 1 95 ILE H . . 3.500 2.639 2.523 2.726 . 0 0 "[ . 1 . 2]" 1
633 1 74 ASP HA 1 94 GLU QB . . 5.500 3.418 3.033 4.439 . 0 0 "[ . 1 . 2]" 1
634 1 74 ASP QB 1 94 GLU QB . . 5.500 2.810 2.298 4.152 . 0 0 "[ . 1 . 2]" 1
635 1 94 GLU QG 1 95 ILE QG . . 4.500 2.881 2.675 3.178 . 0 0 "[ . 1 . 2]" 1
636 1 93 GLN HA 1 94 GLU QG . . 5.500 5.615 5.575 5.741 0.241 5 0 "[ . 1 . 2]" 1
637 1 94 GLU QG 1 95 ILE H . . 4.500 3.872 3.733 4.028 . 0 0 "[ . 1 . 2]" 1
638 1 94 GLU H 1 94 GLU QG . . 4.500 3.882 3.857 3.951 . 0 0 "[ . 1 . 2]" 1
639 1 95 ILE H 1 95 ILE HB . . 3.500 2.731 2.685 2.769 . 0 0 "[ . 1 . 2]" 1
640 1 95 ILE H 1 95 ILE QG . . 4.500 3.015 2.901 3.092 . 0 0 "[ . 1 . 2]" 1
641 1 75 VAL QG 1 95 ILE QG . . 5.500 3.030 2.893 3.150 . 0 0 "[ . 1 . 2]" 1
642 1 76 VAL QG 1 96 PHE HA . . 5.500 4.134 3.876 4.373 . 0 0 "[ . 1 . 2]" 1
643 1 96 PHE HA 1 97 GLU HA . . 5.500 4.489 4.462 4.510 . 0 0 "[ . 1 . 2]" 1
644 1 96 PHE HA 1 97 GLU H . . 3.500 2.171 2.136 2.236 . 0 0 "[ . 1 . 2]" 1
645 1 91 VAL QG 1 96 PHE QB . . 5.500 3.370 2.999 4.187 . 0 0 "[ . 1 . 2]" 1
646 1 91 VAL HB 1 96 PHE QB . . 5.500 4.993 3.775 5.435 . 0 0 "[ . 1 . 2]" 1
647 1 96 PHE QB 1 97 GLU H . . 5.500 3.687 3.594 3.788 . 0 0 "[ . 1 . 2]" 1
648 1 91 VAL H 1 96 PHE QB . . 5.500 5.573 5.528 5.629 0.129 3 0 "[ . 1 . 2]" 1
649 1 97 GLU HA 1 97 GLU QG . . 3.500 2.813 2.370 3.093 . 0 0 "[ . 1 . 2]" 1
650 1 97 GLU HA 1 98 ASP HA . . 5.500 4.520 4.458 4.558 . 0 0 "[ . 1 . 2]" 1
651 1 97 GLU HA 1 98 ASP H . . 3.500 2.326 2.145 2.465 . 0 0 "[ . 1 . 2]" 1
652 1 97 GLU QB 1 99 TRP HD1 . . 4.500 2.956 2.394 3.506 . 0 0 "[ . 1 . 2]" 1
653 1 97 GLU QB 1 98 ASP H . . 4.500 2.700 2.370 3.091 . 0 0 "[ . 1 . 2]" 1
654 1 97 GLU QB 1 99 TRP HE1 . . 4.500 2.866 2.364 3.564 . 0 0 "[ . 1 . 2]" 1
655 1 19 GLU HA 1 32 VAL HB . . 5.500 3.386 2.950 4.613 . 0 0 "[ . 1 . 2]" 1
656 1 97 GLU QG 1 99 TRP HE1 . . 5.500 3.757 2.818 4.515 . 0 0 "[ . 1 . 2]" 1
657 1 97 GLU QG 1 98 ASP H . . 4.500 4.214 3.486 4.541 0.041 19 0 "[ . 1 . 2]" 1
658 1 78 SER QB 1 98 ASP HA . . 3.500 2.316 2.062 2.808 . 0 0 "[ . 1 . 2]" 1
659 1 98 ASP HA 1 100 GLN H . . 4.500 3.934 3.481 4.688 0.188 13 0 "[ . 1 . 2]" 1
660 1 98 ASP HA 1 99 TRP H . . 3.500 2.135 2.055 2.250 . 0 0 "[ . 1 . 2]" 1
661 1 98 ASP QB 1 99 TRP H . . 5.500 3.722 2.875 4.021 . 0 0 "[ . 1 . 2]" 1
662 1 79 LEU HG 1 99 TRP QB . . 4.500 4.260 3.304 4.550 0.050 7 0 "[ . 1 . 2]" 1
663 1 99 TRP QB 1 101 LEU HG . . 4.500 2.341 2.150 2.571 . 0 0 "[ . 1 . 2]" 1
664 1 99 TRP QB 1 122 ARG QD . . 5.500 2.284 2.115 2.611 . 0 0 "[ . 1 . 2]" 1
665 1 79 LEU HA 1 99 TRP QB . . 4.500 2.468 2.090 2.945 . 0 0 "[ . 1 . 2]" 1
666 1 98 ASP HA 1 99 TRP QB . . 5.500 4.361 4.239 4.540 . 0 0 "[ . 1 . 2]" 1
667 1 99 TRP HA 1 100 GLN HA . . 5.500 5.028 4.556 5.231 . 0 0 "[ . 1 . 2]" 1
668 1 100 GLN QB 1 101 LEU H . . 5.500 3.700 1.910 4.117 . 0 0 "[ . 1 . 2]" 1
669 1 101 LEU HA 1 102 GLU H . . 3.500 2.336 2.126 2.862 . 0 0 "[ . 1 . 2]" 1
670 1 101 LEU HA 1 115 VAL HB . . 5.500 4.942 4.386 5.436 . 0 0 "[ . 1 . 2]" 1
671 1 101 LEU HA 1 101 LEU HG . . 4.500 3.319 3.228 3.437 . 0 0 "[ . 1 . 2]" 1
672 1 101 LEU QB 1 102 GLU H . . 4.500 2.490 1.802 3.045 . 0 0 "[ . 1 . 2]" 1
673 1 101 LEU QB 1 119 VAL QG . . 5.500 3.804 3.645 3.929 . 0 0 "[ . 1 . 2]" 1
674 1 102 GLU QB 1 103 ASP H . . 4.500 3.456 2.487 3.694 . 0 0 "[ . 1 . 2]" 1
675 1 102 GLU H 1 102 GLU QB . . 3.500 2.327 2.183 2.713 . 0 0 "[ . 1 . 2]" 1
676 1 101 LEU HA 1 102 GLU HA . . 5.500 4.493 4.389 4.730 . 0 0 "[ . 1 . 2]" 1
677 1 102 GLU HA 1 103 ASP H . . 2.800 2.396 2.278 2.487 . 0 0 "[ . 1 . 2]" 1
678 1 101 LEU HG 1 119 VAL QG . . 4.500 4.056 3.873 4.188 . 0 0 "[ . 1 . 2]" 1
679 1 101 LEU HG 1 119 VAL HA . . 5.500 5.371 5.101 5.544 0.044 19 0 "[ . 1 . 2]" 1
680 1 101 LEU HG 1 102 GLU H . . 5.500 4.998 4.620 5.241 . 0 0 "[ . 1 . 2]" 1
681 1 99 TRP H 1 101 LEU HG . . 5.500 4.624 4.210 5.094 . 0 0 "[ . 1 . 2]" 1
682 1 103 ASP HA 1 115 VAL QG . . 4.500 4.103 3.906 4.276 . 0 0 "[ . 1 . 2]" 1
683 1 103 ASP HA 1 104 PRO QG . . 5.500 4.021 3.987 4.062 . 0 0 "[ . 1 . 2]" 1
684 1 103 ASP HA 1 104 PRO QD . . 3.500 2.075 2.044 2.110 . 0 0 "[ . 1 . 2]" 1
685 1 103 ASP HA 1 105 ASP H . . 5.500 3.953 3.709 4.171 . 0 0 "[ . 1 . 2]" 1
686 1 103 ASP H 1 103 ASP QB . . 3.500 2.471 2.196 2.788 . 0 0 "[ . 1 . 2]" 1
687 1 8 SER QB 1 103 ASP QB . . 5.500 5.477 5.086 5.618 0.118 12 0 "[ . 1 . 2]" 1
688 1 104 PRO HA 1 111 VAL MG1 . . 3.500 2.867 2.092 3.394 . 0 0 "[ . 1 . 2]" 1
689 1 104 PRO HA 1 107 GLN QG . . 3.500 2.481 2.050 3.495 . 0 0 "[ . 1 . 2]" 1
690 1 104 PRO QB 1 111 VAL MG1 . . 4.500 3.054 2.398 3.658 . 0 0 "[ . 1 . 2]" 1
691 1 104 PRO QB 1 112 PHE HA . . 4.500 2.218 2.077 2.407 . 0 0 "[ . 1 . 2]" 1
692 1 104 PRO QB 1 112 PHE H . . 5.500 3.984 3.404 4.432 . 0 0 "[ . 1 . 2]" 1
693 1 4 VAL QG 1 126 LEU HG . . 4.500 3.517 3.386 4.048 . 0 0 "[ . 1 . 2]" 1
694 1 77 ILE QG 1 126 LEU HG . . 4.500 2.481 2.281 2.807 . 0 0 "[ . 1 . 2]" 1
695 1 97 GLU QG 1 126 LEU HG . . 5.500 5.117 4.653 5.381 . 0 0 "[ . 1 . 2]" 1
696 1 104 PRO QG 1 112 PHE HA . . 4.500 3.593 3.227 4.088 . 0 0 "[ . 1 . 2]" 1
697 1 123 VAL HA 1 126 LEU HG . . 4.500 4.373 4.102 4.553 0.053 17 0 "[ . 1 . 2]" 1
698 1 126 LEU HA 1 126 LEU HG . . 4.500 3.707 3.684 3.737 . 0 0 "[ . 1 . 2]" 1
699 1 6 PHE HZ 1 126 LEU HG . . 4.500 4.523 4.297 4.585 0.085 20 0 "[ . 1 . 2]" 1
700 1 99 TRP HZ2 1 126 LEU HG . . 4.500 2.396 2.229 2.654 . 0 0 "[ . 1 . 2]" 1
701 1 104 PRO QG 1 105 ASP H . . 4.500 2.720 2.213 2.961 . 0 0 "[ . 1 . 2]" 1
702 1 126 LEU H 1 126 LEU HG . . 4.500 4.523 4.496 4.590 0.090 10 0 "[ . 1 . 2]" 1
703 1 126 LEU HG 1 127 ILE H . . 5.500 4.632 4.479 4.742 . 0 0 "[ . 1 . 2]" 1
704 1 103 ASP QB 1 104 PRO QD . . 5.500 3.469 2.957 3.767 . 0 0 "[ . 1 . 2]" 1
705 1 104 PRO QD 1 105 ASP H . . 5.500 2.687 2.249 2.909 . 0 0 "[ . 1 . 2]" 1
706 1 43 HIS HE1 1 105 ASP HA . . 4.500 3.101 2.911 3.963 . 0 0 "[ . 1 . 2]" 1
707 1 105 ASP HA 1 107 GLN H . . 5.500 3.876 3.540 4.416 . 0 0 "[ . 1 . 2]" 1
708 1 105 ASP HA 1 106 GLY H . . 4.500 2.195 2.098 2.696 . 0 0 "[ . 1 . 2]" 1
709 1 105 ASP H 1 105 ASP QB . . 3.500 2.270 2.055 2.845 . 0 0 "[ . 1 . 2]" 1
710 1 105 ASP QB 1 106 GLY H . . 5.500 3.923 3.606 4.015 . 0 0 "[ . 1 . 2]" 1
711 1 43 HIS HD2 1 105 ASP QB . . 5.500 3.507 2.912 5.178 . 0 0 "[ . 1 . 2]" 1
712 1 43 HIS HE1 1 105 ASP QB . . 5.500 4.408 3.446 5.529 0.029 18 0 "[ . 1 . 2]" 1
713 1 106 GLY QA 1 107 GLN H . . 4.500 2.975 2.949 2.986 . 0 0 "[ . 1 . 2]" 1
714 1 106 GLY QA 1 107 GLN QG . . 5.500 4.334 3.990 4.442 . 0 0 "[ . 1 . 2]" 1
715 1 104 PRO HA 1 107 GLN QB . . 5.500 2.999 2.723 3.499 . 0 0 "[ . 1 . 2]" 1
716 1 107 GLN QB 1 111 VAL MG1 . . 3.500 2.544 2.349 3.145 . 0 0 "[ . 1 . 2]" 1
717 1 107 GLN QB 1 111 VAL MG2 . . 4.500 2.755 2.361 2.979 . 0 0 "[ . 1 . 2]" 1
718 1 107 GLN H 1 107 GLN QG . . 3.500 2.325 2.220 2.504 . 0 0 "[ . 1 . 2]" 1
719 1 107 GLN QG 1 111 VAL MG1 . . 3.500 2.709 2.263 3.686 0.186 9 0 "[ . 1 . 2]" 1
720 1 107 GLN QG 1 111 VAL MG2 . . 4.500 3.991 3.443 4.400 . 0 0 "[ . 1 . 2]" 1
721 1 108 SER HA 1 109 LEU H . . 3.500 2.313 2.245 2.365 . 0 0 "[ . 1 . 2]" 1
722 1 108 SER QB 1 109 LEU H . . 4.500 3.170 2.563 3.559 . 0 0 "[ . 1 . 2]" 1
723 1 108 SER H 1 108 SER QB . . 3.500 2.661 2.269 3.007 . 0 0 "[ . 1 . 2]" 1
724 1 108 SER QB 1 111 VAL H . . 5.500 3.077 2.497 3.847 . 0 0 "[ . 1 . 2]" 1
725 1 108 SER QB 1 111 VAL MG2 . . 5.500 2.811 2.190 3.877 . 0 0 "[ . 1 . 2]" 1
726 1 109 LEU HA 1 110 GLU H . . 5.500 3.545 3.530 3.567 . 0 0 "[ . 1 . 2]" 1
727 1 109 LEU HA 1 112 PHE H . . 4.500 3.078 2.923 3.220 . 0 0 "[ . 1 . 2]" 1
728 1 109 LEU HA 1 111 VAL H . . 5.500 4.130 4.019 4.237 . 0 0 "[ . 1 . 2]" 1
729 1 109 LEU HA 1 112 PHE QB . . 3.500 2.231 2.110 2.441 . 0 0 "[ . 1 . 2]" 1
730 1 109 LEU QB 1 110 GLU H . . 4.500 2.955 2.793 3.032 . 0 0 "[ . 1 . 2]" 1
731 1 109 LEU QB 1 112 PHE H . . 5.500 4.716 4.569 4.825 . 0 0 "[ . 1 . 2]" 1
732 1 108 SER HA 1 109 LEU QB . . 5.500 4.432 4.354 4.503 . 0 0 "[ . 1 . 2]" 1
733 1 109 LEU HG 1 110 GLU H . . 5.500 5.229 5.137 5.270 . 0 0 "[ . 1 . 2]" 1
734 1 109 LEU HG 1 112 PHE H . . 5.500 5.361 5.160 5.553 0.053 18 0 "[ . 1 . 2]" 1
735 1 25 LEU HG 1 124 GLU HA . . 5.500 5.408 5.209 5.537 0.037 8 0 "[ . 1 . 2]" 1
736 1 110 GLU HA 1 110 GLU QG . . 3.500 2.603 2.335 3.401 . 0 0 "[ . 1 . 2]" 1
737 1 110 GLU HA 1 111 VAL H . . 4.500 3.565 3.539 3.598 . 0 0 "[ . 1 . 2]" 1
738 1 110 GLU HA 1 112 PHE H . . 5.500 4.397 3.889 4.574 . 0 0 "[ . 1 . 2]" 1
739 1 110 GLU HA 1 113 ARG H . . 4.500 3.480 3.241 3.663 . 0 0 "[ . 1 . 2]" 1
740 1 110 GLU H 1 110 GLU QB . . 3.500 2.312 2.117 2.416 . 0 0 "[ . 1 . 2]" 1
741 1 110 GLU QB 1 111 VAL H . . 3.500 2.692 2.545 3.520 0.020 9 0 "[ . 1 . 2]" 1
742 1 20 GLY QA 1 50 MET QB . . 5.500 4.381 3.991 4.695 . 0 0 "[ . 1 . 2]" 1
743 1 111 VAL HA 1 115 VAL H . . 5.500 3.957 3.806 4.088 . 0 0 "[ . 1 . 2]" 1
744 1 111 VAL HA 1 114 THR H . . 4.500 3.260 3.117 3.509 . 0 0 "[ . 1 . 2]" 1
745 1 111 VAL HA 1 112 PHE H . . 5.500 3.536 3.473 3.560 . 0 0 "[ . 1 . 2]" 1
746 1 111 VAL HA 1 114 THR HB . . 3.500 2.301 2.153 2.428 . 0 0 "[ . 1 . 2]" 1
747 1 111 VAL HA 1 111 VAL MG2 . . 3.500 2.385 2.332 2.481 . 0 0 "[ . 1 . 2]" 1
748 1 111 VAL HA 1 111 VAL MG1 . . 3.500 2.439 2.326 2.503 . 0 0 "[ . 1 . 2]" 1
749 1 104 PRO HA 1 111 VAL MG2 . . 5.500 5.135 3.824 5.755 0.255 17 0 "[ . 1 . 2]" 1
750 1 111 VAL H 1 111 VAL MG2 . . 3.500 2.369 2.208 2.468 . 0 0 "[ . 1 . 2]" 1
751 1 111 VAL MG2 1 112 PHE H . . 5.500 3.939 3.857 4.016 . 0 0 "[ . 1 . 2]" 1
752 1 111 VAL MG2 1 114 THR H . . 5.500 5.043 4.907 5.244 . 0 0 "[ . 1 . 2]" 1
753 1 108 SER H 1 111 VAL MG2 . . 4.500 3.409 3.100 3.844 . 0 0 "[ . 1 . 2]" 1
754 1 111 VAL MG1 1 114 THR HB . . 5.500 3.418 3.240 3.631 . 0 0 "[ . 1 . 2]" 1
755 1 107 GLN QE 1 111 VAL MG1 . . 5.500 4.570 3.011 5.581 0.081 12 0 "[ . 1 . 2]" 1
756 1 111 VAL H 1 111 VAL MG1 . . 4.500 3.830 3.808 3.852 . 0 0 "[ . 1 . 2]" 1
757 1 111 VAL MG1 1 112 PHE H . . 4.500 3.599 3.495 3.803 . 0 0 "[ . 1 . 2]" 1
758 1 108 SER H 1 111 VAL MG1 . . 5.500 4.184 3.830 4.468 . 0 0 "[ . 1 . 2]" 1
759 1 111 VAL MG1 1 115 VAL H . . 5.500 3.880 3.762 4.093 . 0 0 "[ . 1 . 2]" 1
760 1 111 VAL H 1 112 PHE QB . . 5.500 4.095 3.951 4.357 . 0 0 "[ . 1 . 2]" 1
761 1 112 PHE H 1 112 PHE QB . . 3.500 2.108 1.995 2.272 . 0 0 "[ . 1 . 2]" 1
762 1 112 PHE QB 1 114 THR H . . 5.500 4.779 4.476 4.958 . 0 0 "[ . 1 . 2]" 1
763 1 112 PHE QB 1 113 ARG H . . 4.500 2.660 2.491 2.782 . 0 0 "[ . 1 . 2]" 1
764 1 113 ARG HA 1 116 ARG QB . . 4.500 2.620 2.104 3.699 . 0 0 "[ . 1 . 2]" 1
765 1 112 PHE QB 1 113 ARG HA . . 5.500 4.229 3.969 4.363 . 0 0 "[ . 1 . 2]" 1
766 1 113 ARG HA 1 114 THR H . . 4.500 3.565 3.451 3.589 . 0 0 "[ . 1 . 2]" 1
767 1 113 ARG HA 1 117 GLY H . . 5.500 3.996 3.786 4.255 . 0 0 "[ . 1 . 2]" 1
768 1 113 ARG HA 1 116 ARG H . . 4.500 3.348 3.207 3.746 . 0 0 "[ . 1 . 2]" 1
769 1 113 ARG HA 1 113 ARG HE . . 5.500 5.071 4.877 5.184 . 0 0 "[ . 1 . 2]" 1
770 1 113 ARG QB 1 114 THR H . . 4.500 2.724 2.585 3.020 . 0 0 "[ . 1 . 2]" 1
771 1 110 GLU HA 1 113 ARG QB . . 3.500 2.692 2.389 3.051 . 0 0 "[ . 1 . 2]" 1
772 1 114 THR HA 1 115 VAL QG . . 5.500 4.586 4.556 4.621 . 0 0 "[ . 1 . 2]" 1
773 1 114 THR HA 1 118 GLN QG . . 5.500 4.388 4.270 4.585 . 0 0 "[ . 1 . 2]" 1
774 1 113 ARG HA 1 114 THR HA . . 5.500 4.858 4.794 4.889 . 0 0 "[ . 1 . 2]" 1
775 1 114 THR HB 1 115 VAL QG . . 4.500 3.239 3.068 3.330 . 0 0 "[ . 1 . 2]" 1
776 1 114 THR H 1 114 THR HB . . 3.500 2.562 2.507 2.593 . 0 0 "[ . 1 . 2]" 1
777 1 114 THR HB 1 115 VAL H . . 3.500 2.604 2.518 2.707 . 0 0 "[ . 1 . 2]" 1
778 1 115 VAL HA 1 115 VAL QG . . 2.800 2.291 2.243 2.325 . 0 0 "[ . 1 . 2]" 1
779 1 115 VAL HA 1 118 GLN H . . 4.500 3.169 2.992 3.278 . 0 0 "[ . 1 . 2]" 1
780 1 111 VAL MG1 1 115 VAL QG . . 3.500 2.682 2.413 2.871 . 0 0 "[ . 1 . 2]" 1
781 1 102 GLU QB 1 115 VAL QG . . 3.500 2.520 2.298 2.735 . 0 0 "[ . 1 . 2]" 1
782 1 112 PHE HA 1 115 VAL QG . . 4.500 2.332 2.180 2.649 . 0 0 "[ . 1 . 2]" 1
783 1 104 PRO QD 1 115 VAL QG . . 4.500 2.462 2.285 2.642 . 0 0 "[ . 1 . 2]" 1
784 1 114 THR H 1 115 VAL QG . . 4.500 4.013 3.710 4.082 . 0 0 "[ . 1 . 2]" 1
785 1 102 GLU H 1 115 VAL QG . . 4.500 2.702 2.326 3.031 . 0 0 "[ . 1 . 2]" 1
786 1 115 VAL QG 1 119 VAL QG . . 3.500 3.449 3.239 3.532 0.032 10 0 "[ . 1 . 2]" 1
787 1 116 ARG HA 1 119 VAL QG . . 4.500 2.843 1.915 3.232 . 0 0 "[ . 1 . 2]" 1
788 1 115 VAL QG 1 116 ARG HA . . 4.500 3.693 3.553 3.788 . 0 0 "[ . 1 . 2]" 1
789 1 116 ARG HA 1 120 LYS H . . 5.500 3.802 3.686 4.057 . 0 0 "[ . 1 . 2]" 1
790 1 116 ARG HA 1 119 VAL H . . 4.500 3.381 2.964 3.648 . 0 0 "[ . 1 . 2]" 1
791 1 116 ARG QB 1 117 GLY H . . 4.500 3.300 2.618 3.620 . 0 0 "[ . 1 . 2]" 1
792 1 116 ARG H 1 116 ARG QB . . 3.500 2.166 2.006 2.417 . 0 0 "[ . 1 . 2]" 1
793 1 49 MET QB 1 116 ARG QD . . 5.500 2.794 2.189 4.520 . 0 0 "[ . 1 . 2]" 1
794 1 117 GLY QA 1 120 LYS H . . 5.500 3.501 3.305 3.657 . 0 0 "[ . 1 . 2]" 1
795 1 116 ARG QB 1 117 GLY QA . . 5.500 4.505 4.123 4.683 . 0 0 "[ . 1 . 2]" 1
796 1 118 GLN HA 1 119 VAL H . . 4.500 3.609 3.560 3.698 . 0 0 "[ . 1 . 2]" 1
797 1 118 GLN HA 1 118 GLN QG . . 3.500 2.340 2.286 2.406 . 0 0 "[ . 1 . 2]" 1
798 1 118 GLN QB 1 119 VAL H . . 4.500 2.472 2.347 2.666 . 0 0 "[ . 1 . 2]" 1
799 1 118 GLN H 1 118 GLN QB . . 3.500 2.393 2.358 2.457 . 0 0 "[ . 1 . 2]" 1
800 1 115 VAL HA 1 118 GLN QB . . 3.500 2.339 2.255 2.463 . 0 0 "[ . 1 . 2]" 1
801 1 118 GLN H 1 118 GLN QG . . 3.500 2.402 2.306 2.484 . 0 0 "[ . 1 . 2]" 1
802 1 119 VAL HA 1 123 VAL QG . . 4.500 3.641 3.360 4.093 . 0 0 "[ . 1 . 2]" 1
803 1 99 TRP HH2 1 119 VAL HA . . 5.500 5.093 4.839 5.381 . 0 0 "[ . 1 . 2]" 1
804 1 119 VAL HA 1 120 LYS H . . 5.500 3.637 3.605 3.655 . 0 0 "[ . 1 . 2]" 1
805 1 119 VAL HA 1 122 ARG QG . . 4.500 4.348 3.941 4.568 0.068 8 0 "[ . 1 . 2]" 1
806 1 119 VAL H 1 119 VAL HB . . 3.500 2.560 2.275 3.670 0.170 19 0 "[ . 1 . 2]" 1
807 1 119 VAL HB 1 120 LYS H . . 3.500 2.855 2.633 3.575 0.075 19 0 "[ . 1 . 2]" 1
808 1 116 ARG HA 1 119 VAL HB . . 4.500 2.645 2.084 4.657 0.157 1 0 "[ . 1 . 2]" 1
809 1 119 VAL QG 1 120 LYS HA . . 4.500 3.358 3.102 3.774 . 0 0 "[ . 1 . 2]" 1
810 1 18 ALA H 1 119 VAL QG . . 4.500 2.961 2.812 3.221 . 0 0 "[ . 1 . 2]" 1
811 1 119 VAL QG 1 120 LYS H . . 4.500 2.875 2.220 3.079 . 0 0 "[ . 1 . 2]" 1
812 1 119 VAL H 1 119 VAL QG . . 3.500 2.370 2.165 2.515 . 0 0 "[ . 1 . 2]" 1
813 1 116 ARG H 1 119 VAL QG . . 5.500 4.412 3.855 4.603 . 0 0 "[ . 1 . 2]" 1
814 1 118 GLN H 1 119 VAL QG . . 5.500 4.457 4.073 4.597 . 0 0 "[ . 1 . 2]" 1
815 1 119 VAL QG 1 120 LYS QB . . 5.500 3.840 3.440 4.008 . 0 0 "[ . 1 . 2]" 1
816 1 120 LYS HA 1 123 VAL HB . . 4.500 3.290 2.575 4.451 . 0 0 "[ . 1 . 2]" 1
817 1 21 PHE QB 1 120 LYS HA . . 5.500 3.159 2.977 3.428 . 0 0 "[ . 1 . 2]" 1
818 1 120 LYS HA 1 124 GLU H . . 5.500 3.862 3.734 3.970 . 0 0 "[ . 1 . 2]" 1
819 1 120 LYS HA 1 123 VAL H . . 4.500 3.846 3.664 4.031 . 0 0 "[ . 1 . 2]" 1
820 1 120 LYS HA 1 123 VAL QG . . 4.500 2.885 2.057 3.424 . 0 0 "[ . 1 . 2]" 1
821 1 120 LYS QB 1 121 GLU QG . . 5.500 5.372 3.272 5.554 0.054 9 0 "[ . 1 . 2]" 1
822 1 120 LYS H 1 120 LYS QB . . 3.500 2.226 2.200 2.247 . 0 0 "[ . 1 . 2]" 1
823 1 120 LYS QG 1 124 GLU QG . . 4.500 2.928 2.620 3.120 . 0 0 "[ . 1 . 2]" 1
824 1 117 GLY QA 1 120 LYS QD . . 5.500 3.627 3.289 4.205 . 0 0 "[ . 1 . 2]" 1
825 1 120 LYS H 1 120 LYS QD . . 5.500 4.419 4.346 4.675 . 0 0 "[ . 1 . 2]" 1
826 1 121 GLU HA 1 121 GLU QG . . 3.500 2.497 2.375 3.015 . 0 0 "[ . 1 . 2]" 1
827 1 120 LYS HA 1 121 GLU HA . . 5.500 4.851 4.779 4.979 . 0 0 "[ . 1 . 2]" 1
828 1 121 GLU HA 1 125 ASN H . . 5.500 4.309 4.021 4.660 . 0 0 "[ . 1 . 2]" 1
829 1 121 GLU HA 1 124 GLU H . . 4.500 3.929 3.650 4.256 . 0 0 "[ . 1 . 2]" 1
830 1 121 GLU HA 1 124 GLU QG . . 4.500 3.996 3.646 4.359 . 0 0 "[ . 1 . 2]" 1
831 1 118 GLN HA 1 121 GLU QB . . 4.500 3.022 2.448 3.510 . 0 0 "[ . 1 . 2]" 1
832 1 121 GLU QB 1 122 ARG QB . . 5.500 4.241 4.018 4.441 . 0 0 "[ . 1 . 2]" 1
833 1 122 ARG HA 1 123 VAL H . . 4.500 3.525 3.496 3.561 . 0 0 "[ . 1 . 2]" 1
834 1 122 ARG HA 1 124 GLU H . . 5.500 4.478 4.380 4.597 . 0 0 "[ . 1 . 2]" 1
835 1 122 ARG HA 1 126 LEU H . . 5.500 4.167 3.995 4.516 . 0 0 "[ . 1 . 2]" 1
836 1 122 ARG HA 1 125 ASN H . . 4.500 3.531 3.395 3.720 . 0 0 "[ . 1 . 2]" 1
837 1 122 ARG HA 1 123 VAL HA . . 5.500 4.830 4.737 4.892 . 0 0 "[ . 1 . 2]" 1
838 1 122 ARG HA 1 125 ASN QB . . 3.500 2.474 2.257 2.759 . 0 0 "[ . 1 . 2]" 1
839 1 122 ARG QB 1 123 VAL H . . 5.500 2.863 2.686 3.025 . 0 0 "[ . 1 . 2]" 1
840 1 122 ARG H 1 122 ARG QG . . 3.500 2.464 2.376 2.645 . 0 0 "[ . 1 . 2]" 1
841 1 100 GLN QE 1 122 ARG QG . . 5.500 5.536 5.403 5.597 0.097 12 0 "[ . 1 . 2]" 1
842 1 122 ARG QG 1 125 ASN QB . . 5.500 4.019 3.743 4.406 . 0 0 "[ . 1 . 2]" 1
843 1 99 TRP HD1 1 122 ARG QD . . 5.500 3.985 3.317 4.443 . 0 0 "[ . 1 . 2]" 1
844 1 122 ARG H 1 122 ARG QD . . 5.500 3.913 3.579 4.221 . 0 0 "[ . 1 . 2]" 1
845 1 118 GLN QB 1 122 ARG QD . . 4.500 3.461 2.970 3.963 . 0 0 "[ . 1 . 2]" 1
846 1 123 VAL HA 1 126 LEU QB . . 3.500 2.528 2.350 2.647 . 0 0 "[ . 1 . 2]" 1
847 1 123 VAL HA 1 126 LEU HA . . 5.500 5.325 4.996 5.487 . 0 0 "[ . 1 . 2]" 1
848 1 99 TRP HZ2 1 123 VAL HA . . 5.500 3.238 2.754 3.719 . 0 0 "[ . 1 . 2]" 1
849 1 123 VAL HA 1 126 LEU H . . 4.500 3.289 2.984 3.423 . 0 0 "[ . 1 . 2]" 1
850 1 123 VAL HA 1 127 ILE H . . 4.500 3.594 3.473 3.733 . 0 0 "[ . 1 . 2]" 1
851 1 123 VAL HB 1 124 GLU H . . 4.500 3.097 2.473 4.041 . 0 0 "[ . 1 . 2]" 1
852 1 123 VAL H 1 123 VAL HB . . 3.500 2.431 2.346 2.503 . 0 0 "[ . 1 . 2]" 1
853 1 22 ALA H 1 123 VAL QG . . 4.500 2.609 2.467 2.844 . 0 0 "[ . 1 . 2]" 1
854 1 123 VAL H 1 123 VAL QG . . 3.500 2.404 2.212 2.540 . 0 0 "[ . 1 . 2]" 1
855 1 123 VAL QG 1 124 GLU H . . 4.500 2.713 2.089 3.093 . 0 0 "[ . 1 . 2]" 1
856 1 32 VAL H 1 32 VAL QG . . 3.500 1.998 1.902 2.073 . 0 0 "[ . 1 . 2]" 1
857 1 124 GLU HA 1 127 ILE QG . . 5.500 5.391 5.229 5.509 0.009 5 0 "[ . 1 . 2]" 1
858 1 123 VAL QG 1 124 GLU HA . . 3.500 3.290 3.079 3.515 0.015 13 0 "[ . 1 . 2]" 1
859 1 124 GLU HA 1 125 ASN QB . . 5.500 5.209 5.117 5.474 . 0 0 "[ . 1 . 2]" 1
860 1 124 GLU HA 1 128 ALA H . . 5.500 3.726 3.571 3.850 . 0 0 "[ . 1 . 2]" 1
861 1 124 GLU HA 1 125 ASN H . . 4.500 3.553 3.521 3.584 . 0 0 "[ . 1 . 2]" 1
862 1 124 GLU HA 1 126 LEU H . . 5.500 4.371 4.098 4.498 . 0 0 "[ . 1 . 2]" 1
863 1 123 VAL H 1 124 GLU QB . . 5.500 4.612 4.510 4.686 . 0 0 "[ . 1 . 2]" 1
864 1 124 GLU H 1 124 GLU QB . . 3.500 2.371 2.313 2.423 . 0 0 "[ . 1 . 2]" 1
865 1 124 GLU QB 1 125 ASN H . . 3.500 2.259 2.215 2.296 . 0 0 "[ . 1 . 2]" 1
866 1 121 GLU HA 1 124 GLU QB . . 3.500 3.057 2.775 3.508 0.008 5 0 "[ . 1 . 2]" 1
867 1 124 GLU H 1 124 GLU QG . . 3.500 2.588 2.462 2.791 . 0 0 "[ . 1 . 2]" 1
868 1 124 GLU QG 1 125 ASN H . . 4.500 4.127 4.065 4.170 . 0 0 "[ . 1 . 2]" 1
869 1 120 LYS QB 1 124 GLU QG . . 5.500 4.680 4.461 4.809 . 0 0 "[ . 1 . 2]" 1
870 1 125 ASN HA 1 128 ALA MB . . 3.500 3.311 3.062 3.506 0.006 20 0 "[ . 1 . 2]" 1
871 1 125 ASN HA 1 128 ALA H . . 4.500 4.272 4.068 4.514 0.014 17 0 "[ . 1 . 2]" 1
872 1 125 ASN HA 1 126 LEU H . . 4.500 3.590 3.517 3.620 . 0 0 "[ . 1 . 2]" 1
873 1 125 ASN QB 1 126 LEU QB . . 5.500 3.840 3.731 4.363 . 0 0 "[ . 1 . 2]" 1
874 1 121 GLU HA 1 125 ASN QB . . 5.500 4.889 4.554 5.364 . 0 0 "[ . 1 . 2]" 1
875 1 125 ASN QB 1 126 LEU HA . . 5.500 4.302 4.007 4.795 . 0 0 "[ . 1 . 2]" 1
876 1 125 ASN H 1 125 ASN QB . . 3.500 2.187 2.032 2.466 . 0 0 "[ . 1 . 2]" 1
877 1 125 ASN QB 1 126 LEU H . . 4.500 2.773 2.628 3.201 . 0 0 "[ . 1 . 2]" 1
878 1 124 GLU H 1 125 ASN QB . . 5.500 4.436 4.255 4.691 . 0 0 "[ . 1 . 2]" 1
879 1 126 LEU HA 1 127 ILE H . . 4.500 3.635 3.607 3.665 . 0 0 "[ . 1 . 2]" 1
880 1 99 TRP HZ2 1 126 LEU HA . . 5.500 4.806 4.642 4.985 . 0 0 "[ . 1 . 2]" 1
881 1 126 LEU QB 1 127 ILE H . . 3.500 2.333 2.239 2.391 . 0 0 "[ . 1 . 2]" 1
882 1 126 LEU H 1 126 LEU QB . . 3.500 2.202 2.181 2.251 . 0 0 "[ . 1 . 2]" 1
883 1 125 ASN H 1 126 LEU QB . . 5.500 4.667 4.601 4.756 . 0 0 "[ . 1 . 2]" 1
884 1 123 VAL HB 1 126 LEU QB . . 5.500 5.016 4.437 5.317 . 0 0 "[ . 1 . 2]" 1
885 1 123 VAL QG 1 126 LEU QB . . 5.500 3.393 3.013 3.574 . 0 0 "[ . 1 . 2]" 1
886 1 127 ILE HA 1 127 ILE QG . . 3.500 2.439 2.386 2.464 . 0 0 "[ . 1 . 2]" 1
887 1 127 ILE HA 1 130 ILE QG . . 4.500 2.477 2.312 2.634 . 0 0 "[ . 1 . 2]" 1
888 1 124 GLU HA 1 127 ILE HB . . 4.500 4.204 4.043 4.359 . 0 0 "[ . 1 . 2]" 1
889 1 22 ALA HA 1 127 ILE HB . . 5.500 3.411 3.253 3.589 . 0 0 "[ . 1 . 2]" 1
890 1 127 ILE HB 1 128 ALA H . . 4.500 3.680 3.657 3.717 . 0 0 "[ . 1 . 2]" 1
891 1 126 LEU H 1 127 ILE HB . . 5.500 4.636 4.435 4.779 . 0 0 "[ . 1 . 2]" 1
892 1 127 ILE H 1 127 ILE HB . . 3.500 1.997 1.964 2.025 . 0 0 "[ . 1 . 2]" 1
893 1 25 LEU QB 1 127 ILE QG . . 5.500 3.516 3.384 3.710 . 0 0 "[ . 1 . 2]" 1
894 1 127 ILE H 1 127 ILE QG . . 4.500 3.594 3.585 3.610 . 0 0 "[ . 1 . 2]" 1
895 1 128 ALA HA 1 129 LYS H . . 4.500 3.445 3.333 3.518 . 0 0 "[ . 1 . 2]" 1
896 1 124 GLU QG 1 128 ALA MB . . 4.500 4.339 4.170 4.507 0.007 14 0 "[ . 1 . 2]" 1
897 1 127 ILE HA 1 128 ALA MB . . 5.500 5.000 4.982 5.021 . 0 0 "[ . 1 . 2]" 1
898 1 128 ALA MB 1 131 SER QB . . 4.500 3.802 3.432 4.357 . 0 0 "[ . 1 . 2]" 1
899 1 128 ALA H 1 128 ALA MB . . 2.800 2.224 2.202 2.246 . 0 0 "[ . 1 . 2]" 1
900 1 128 ALA MB 1 129 LYS H . . 3.500 3.179 2.987 3.388 . 0 0 "[ . 1 . 2]" 1
901 1 125 ASN H 1 128 ALA MB . . 4.500 4.577 4.539 4.613 0.113 17 0 "[ . 1 . 2]" 1
902 1 127 ILE H 1 128 ALA MB . . 5.500 4.400 4.367 4.430 . 0 0 "[ . 1 . 2]" 1
903 1 129 LYS HA 1 130 ILE H . . 3.500 3.444 3.382 3.505 0.005 7 0 "[ . 1 . 2]" 1
904 1 128 ALA HA 1 129 LYS HA . . 5.500 4.795 4.649 4.875 . 0 0 "[ . 1 . 2]" 1
905 1 129 LYS H 1 129 LYS QB . . 3.500 2.341 2.283 2.461 . 0 0 "[ . 1 . 2]" 1
906 1 129 LYS QB 1 130 ILE H . . 3.500 3.021 2.815 3.287 . 0 0 "[ . 1 . 2]" 1
907 1 23 LYS QB 1 23 LYS QE . . 4.500 3.019 2.067 3.572 . 0 0 "[ . 1 . 2]" 1
908 1 126 LEU HA 1 129 LYS QE . . 5.500 3.530 2.457 3.962 . 0 0 "[ . 1 . 2]" 1
909 1 130 ILE HA 1 131 SER HA . . 5.500 4.735 4.522 4.841 . 0 0 "[ . 1 . 2]" 1
910 1 2 LYS QE 1 130 ILE HA . . 5.500 5.088 3.739 5.544 0.044 6 0 "[ . 1 . 2]" 1
911 1 2 LYS QB 1 130 ILE HB . . 5.500 2.682 2.276 3.278 . 0 0 "[ . 1 . 2]" 1
912 1 29 LYS H 1 30 ILE QG . . 5.500 4.620 4.234 5.077 . 0 0 "[ . 1 . 2]" 1
913 1 130 ILE H 1 130 ILE QG . . 3.500 2.056 1.956 2.198 . 0 0 "[ . 1 . 2]" 1
914 1 1 MET QB 1 2 LYS H . . 5.500 3.580 2.618 3.878 . 0 0 "[ . 1 . 2]" 1
915 1 1 MET QG 1 2 LYS H . . 5.500 2.980 2.622 3.789 . 0 0 "[ . 1 . 2]" 1
916 1 3 LYS QE 1 31 ALA H . . 5.500 4.668 4.235 5.499 . 0 0 "[ . 1 . 2]" 1
917 1 5 MET QG 1 6 PHE H . . 5.500 3.285 2.541 3.513 . 0 0 "[ . 1 . 2]" 1
918 1 15 SER HA 1 119 VAL QG . . 5.500 4.816 4.495 5.251 . 0 0 "[ . 1 . 2]" 1
919 1 15 SER HA 1 16 GLN HA . . 5.500 4.862 4.752 4.974 . 0 0 "[ . 1 . 2]" 1
920 1 15 SER HA 1 16 GLN H . . 5.500 3.589 3.536 3.644 . 0 0 "[ . 1 . 2]" 1
921 1 15 SER HA 1 18 ALA H . . 4.500 3.404 3.157 3.611 . 0 0 "[ . 1 . 2]" 1
922 1 15 SER HA 1 19 GLU H . . 5.500 4.200 4.016 4.478 . 0 0 "[ . 1 . 2]" 1
923 1 17 MET HA 1 20 GLY H . . 4.500 3.736 3.614 3.856 . 0 0 "[ . 1 . 2]" 1
924 1 17 MET HA 1 18 ALA H . . 4.500 3.595 3.570 3.614 . 0 0 "[ . 1 . 2]" 1
925 1 20 GLY QA 1 23 LYS QG . . 5.500 4.164 2.334 4.549 . 0 0 "[ . 1 . 2]" 1
926 1 25 LEU QB 1 128 ALA MB . . 4.500 4.537 4.525 4.557 0.057 18 0 "[ . 1 . 2]" 1
927 1 21 PHE QB 1 119 VAL QG . . 4.500 2.763 2.444 3.602 . 0 0 "[ . 1 . 2]" 1
928 1 26 GLY QA 1 127 ILE HA . . 5.500 5.253 5.103 5.437 . 0 0 "[ . 1 . 2]" 1
929 1 29 LYS QB 1 130 ILE HB . . 5.500 5.499 5.271 5.552 0.052 2 0 "[ . 1 . 2]" 1
930 1 4 VAL QG 1 30 ILE HB . . 5.500 4.210 3.920 4.546 . 0 0 "[ . 1 . 2]" 1
931 1 81 GLY QA 1 82 CYS H . . 5.500 2.751 2.329 2.929 . 0 0 "[ . 1 . 2]" 1
932 1 87 PRO QB 1 89 GLU QG . . 5.500 3.071 2.256 4.776 . 0 0 "[ . 1 . 2]" 1
933 1 87 PRO QB 1 90 TRP HD1 . . 5.500 3.709 3.229 4.508 . 0 0 "[ . 1 . 2]" 1
934 1 87 PRO QG 1 90 TRP HE1 . . 5.500 3.221 2.850 4.392 . 0 0 "[ . 1 . 2]" 1
935 1 87 PRO QG 1 90 TRP HD1 . . 4.500 2.954 2.440 4.245 . 0 0 "[ . 1 . 2]" 1
936 1 87 PRO QD 1 90 TRP HD1 . . 4.500 2.474 2.193 3.454 . 0 0 "[ . 1 . 2]" 1
937 1 68 PHE HZ 1 70 ALA HA . . 5.500 3.192 2.641 4.165 . 0 0 "[ . 1 . 2]" 1
938 1 3 LYS H 1 4 VAL H . . 5.500 4.644 4.604 4.664 . 0 0 "[ . 1 . 2]" 1
939 1 3 LYS H 1 74 ASP H . . 4.500 3.281 2.905 3.621 . 0 0 "[ . 1 . 2]" 1
940 1 3 LYS H 1 75 VAL H . . 5.500 4.804 4.347 5.114 . 0 0 "[ . 1 . 2]" 1
941 1 1 MET HA 1 3 LYS H . . 5.500 5.409 5.079 5.538 0.038 20 0 "[ . 1 . 2]" 1
942 1 4 VAL H 1 32 VAL H . . 5.500 4.867 4.763 5.074 . 0 0 "[ . 1 . 2]" 1
943 1 4 VAL H 1 31 ALA H . . 4.500 4.484 4.331 4.530 0.030 13 0 "[ . 1 . 2]" 1
944 1 3 LYS HA 1 4 VAL H . . 2.800 2.189 2.128 2.258 . 0 0 "[ . 1 . 2]" 1
945 1 5 MET H 1 77 ILE H . . 5.500 3.876 3.589 4.041 . 0 0 "[ . 1 . 2]" 1
946 1 5 MET H 1 75 VAL H . . 5.500 4.301 4.169 4.434 . 0 0 "[ . 1 . 2]" 1
947 1 5 MET H 1 73 TYR QB . . 5.500 3.502 3.071 3.966 . 0 0 "[ . 1 . 2]" 1
948 1 6 PHE H 1 33 THR H . . 5.500 3.840 3.675 4.131 . 0 0 "[ . 1 . 2]" 1
949 1 5 MET HA 1 6 PHE H . . 3.500 2.187 2.152 2.256 . 0 0 "[ . 1 . 2]" 1
950 1 7 VAL H 1 79 LEU H . . 5.500 3.552 2.968 4.033 . 0 0 "[ . 1 . 2]" 1
951 1 7 VAL H 1 77 ILE H . . 5.500 3.738 3.394 3.951 . 0 0 "[ . 1 . 2]" 1
952 1 8 SER H 1 35 SER HA . . 5.500 5.568 5.504 5.609 0.109 10 0 "[ . 1 . 2]" 1
953 1 8 SER H 1 11 ASN HA . . 5.500 3.892 3.369 4.635 . 0 0 "[ . 1 . 2]" 1
954 1 7 VAL HB 1 8 SER H . . 5.500 4.165 4.037 4.341 . 0 0 "[ . 1 . 2]" 1
955 1 9 LYS H 1 10 ARG H . . 4.500 2.840 2.601 3.081 . 0 0 "[ . 1 . 2]" 1
956 1 9 LYS H 1 10 ARG HA . . 5.500 5.434 5.325 5.517 0.017 15 0 "[ . 1 . 2]" 1
957 1 10 ARG H 1 11 ASN H . . 4.500 4.360 4.001 4.546 0.046 17 0 "[ . 1 . 2]" 1
958 1 11 ASN H 1 12 SER H . . 5.500 2.614 2.195 2.870 . 0 0 "[ . 1 . 2]" 1
959 1 10 ARG HA 1 11 ASN H . . 5.500 2.207 2.105 2.300 . 0 0 "[ . 1 . 2]" 1
960 1 12 SER H 1 13 SER H . . 4.500 3.002 2.555 3.346 . 0 0 "[ . 1 . 2]" 1
961 1 10 ARG HA 1 13 SER H . . 4.500 4.320 4.053 4.567 0.067 17 0 "[ . 1 . 2]" 1
962 1 16 GLN HA 1 17 MET H . . 5.500 3.581 3.550 3.609 . 0 0 "[ . 1 . 2]" 1
963 1 16 GLN H 1 17 MET H . . 3.500 2.902 2.746 2.981 . 0 0 "[ . 1 . 2]" 1
964 1 17 MET H 1 18 ALA H . . 4.500 2.742 2.598 2.852 . 0 0 "[ . 1 . 2]" 1
965 1 28 GLY H 1 29 LYS H . . 5.500 2.843 2.687 2.957 . 0 0 "[ . 1 . 2]" 1
966 1 18 ALA H 1 20 GLY H . . 5.500 4.494 4.265 4.628 . 0 0 "[ . 1 . 2]" 1
967 1 18 ALA H 1 19 GLU H . . 4.500 2.762 2.657 2.858 . 0 0 "[ . 1 . 2]" 1
968 1 17 MET QB 1 18 ALA H . . 4.500 2.535 2.352 2.794 . 0 0 "[ . 1 . 2]" 1
969 1 19 GLU H 1 32 VAL QG . . 5.500 5.275 4.656 5.534 0.034 16 0 "[ . 1 . 2]" 1
970 1 19 GLU H 1 20 GLY H . . 3.500 2.526 2.406 2.637 . 0 0 "[ . 1 . 2]" 1
971 1 20 GLY H 1 21 PHE H . . 4.500 2.877 2.773 2.974 . 0 0 "[ . 1 . 2]" 1
972 1 21 PHE H 1 123 VAL QG . . 5.500 3.785 3.625 3.948 . 0 0 "[ . 1 . 2]" 1
973 1 21 PHE H 1 22 ALA H . . 3.500 2.845 2.766 2.943 . 0 0 "[ . 1 . 2]" 1
974 1 18 ALA MB 1 22 ALA H . . 5.500 4.349 4.214 4.599 . 0 0 "[ . 1 . 2]" 1
975 1 22 ALA H 1 60 GLN QE . . 5.500 5.521 5.153 5.640 0.140 16 0 "[ . 1 . 2]" 1
976 1 22 ALA H 1 23 LYS H . . 4.500 2.609 2.475 2.855 . 0 0 "[ . 1 . 2]" 1
977 1 23 LYS H 1 24 THR H . . 4.500 2.912 2.816 3.027 . 0 0 "[ . 1 . 2]" 1
978 1 48 ALA H 1 49 MET H . . 3.500 2.960 2.861 3.174 . 0 0 "[ . 1 . 2]" 1
979 1 49 MET H 1 50 MET H . . 3.500 2.813 2.755 2.877 . 0 0 "[ . 1 . 2]" 1
980 1 49 MET H 1 51 GLU H . . 5.500 4.433 4.329 4.565 . 0 0 "[ . 1 . 2]" 1
981 1 22 ALA H 1 24 THR H . . 5.500 4.363 4.148 4.480 . 0 0 "[ . 1 . 2]" 1
982 1 24 THR H 1 60 GLN QE . . 5.500 5.604 5.494 5.697 0.197 11 0 "[ . 1 . 2]" 1
983 1 91 VAL H 1 93 GLN QE . . 5.500 4.493 3.728 5.220 . 0 0 "[ . 1 . 2]" 1
984 1 24 THR H 1 27 ALA MB . . 5.500 4.760 4.502 5.081 . 0 0 "[ . 1 . 2]" 1
985 1 23 LYS QG 1 25 LEU H . . 5.500 5.234 4.564 5.514 0.014 3 0 "[ . 1 . 2]" 1
986 1 22 ALA HA 1 25 LEU H . . 5.500 3.387 3.274 3.541 . 0 0 "[ . 1 . 2]" 1
987 1 25 LEU H 1 27 ALA H . . 5.500 4.253 4.023 4.451 . 0 0 "[ . 1 . 2]" 1
988 1 24 THR H 1 25 LEU H . . 4.500 2.827 2.656 2.953 . 0 0 "[ . 1 . 2]" 1
989 1 25 LEU H 1 26 GLY H . . 3.500 2.436 2.208 2.541 . 0 0 "[ . 1 . 2]" 1
990 1 26 GLY H 1 27 ALA H . . 3.500 2.194 2.071 2.631 . 0 0 "[ . 1 . 2]" 1
991 1 24 THR H 1 26 GLY H . . 5.500 4.277 4.169 4.373 . 0 0 "[ . 1 . 2]" 1
992 1 29 LYS H 1 29 LYS QD . . 4.500 3.244 2.797 4.549 0.049 2 0 "[ . 1 . 2]" 1
993 1 29 LYS H 1 30 ILE H . . 3.500 2.471 2.327 3.297 . 0 0 "[ . 1 . 2]" 1
994 1 30 ILE H 1 31 ALA H . . 5.500 4.485 4.420 4.602 . 0 0 "[ . 1 . 2]" 1
995 1 30 ILE H 1 30 ILE QG . . 3.500 2.547 2.090 2.755 . 0 0 "[ . 1 . 2]" 1
996 1 29 LYS QD 1 30 ILE H . . 4.500 4.621 4.567 4.688 0.188 12 0 "[ . 1 . 2]" 1
997 1 31 ALA H 1 32 VAL H . . 5.500 4.414 4.268 4.485 . 0 0 "[ . 1 . 2]" 1
998 1 55 ILE H 1 56 ASP H . . 5.500 3.714 3.213 4.426 . 0 0 "[ . 1 . 2]" 1
999 1 31 ALA HA 1 32 VAL H . . 2.800 2.127 2.089 2.189 . 0 0 "[ . 1 . 2]" 1
1000 1 33 THR H 1 34 SER H . . 5.500 4.350 4.087 4.459 . 0 0 "[ . 1 . 2]" 1
1001 1 79 LEU H 1 80 CYS H . . 4.500 2.872 2.428 3.539 . 0 0 "[ . 1 . 2]" 1
1002 1 5 MET HA 1 33 THR H . . 4.500 3.213 2.838 3.502 . 0 0 "[ . 1 . 2]" 1
1003 1 78 SER QB 1 79 LEU H . . 4.500 3.727 2.820 4.025 . 0 0 "[ . 1 . 2]" 1
1004 1 7 VAL HA 1 35 SER H . . 4.500 3.195 2.941 3.543 . 0 0 "[ . 1 . 2]" 1
1005 1 11 ASN QD 1 35 SER H . . 5.500 3.602 2.601 5.518 0.018 13 0 "[ . 1 . 2]" 1
1006 1 34 SER H 1 35 SER H . . 5.500 4.485 4.309 4.650 . 0 0 "[ . 1 . 2]" 1
1007 1 8 SER H 1 35 SER H . . 4.500 4.540 4.386 4.594 0.094 19 0 "[ . 1 . 2]" 1
1008 1 36 GLY H 1 65 ILE HB . . 5.500 3.207 2.605 4.169 . 0 0 "[ . 1 . 2]" 1
1009 1 11 ASN QB 1 36 GLY H . . 5.500 3.406 2.948 3.705 . 0 0 "[ . 1 . 2]" 1
1010 1 35 SER HA 1 36 GLY H . . 3.500 2.584 2.476 2.754 . 0 0 "[ . 1 . 2]" 1
1011 1 36 GLY H 1 65 ILE H . . 4.500 2.951 2.648 3.537 . 0 0 "[ . 1 . 2]" 1
1012 1 37 LEU H 1 38 GLU HA . . 5.500 5.372 5.298 5.516 0.016 13 0 "[ . 1 . 2]" 1
1013 1 36 GLY QA 1 37 LEU H . . 3.500 2.284 2.247 2.326 . 0 0 "[ . 1 . 2]" 1
1014 1 37 LEU H 1 38 GLU H . . 3.500 2.693 2.573 2.885 . 0 0 "[ . 1 . 2]" 1
1015 1 9 LYS H 1 37 LEU H . . 5.500 4.667 4.528 4.797 . 0 0 "[ . 1 . 2]" 1
1016 1 38 GLU H 1 65 ILE H . . 5.500 5.291 5.025 5.566 0.066 16 0 "[ . 1 . 2]" 1
1017 1 10 ARG HA 1 38 GLU H . . 4.500 3.478 3.073 4.076 . 0 0 "[ . 1 . 2]" 1
1018 1 36 GLY QA 1 38 GLU H . . 5.500 3.580 3.205 3.940 . 0 0 "[ . 1 . 2]" 1
1019 1 9 LYS HA 1 38 GLU H . . 5.500 3.521 2.986 3.784 . 0 0 "[ . 1 . 2]" 1
1020 1 38 GLU H 1 38 GLU QB . . 3.500 2.447 2.263 2.556 . 0 0 "[ . 1 . 2]" 1
1021 1 38 GLU HA 1 39 SER H . . 3.500 2.396 2.105 3.509 0.009 13 0 "[ . 1 . 2]" 1
1022 1 39 SER H 1 64 PRO HA . . 5.500 3.708 3.279 4.909 . 0 0 "[ . 1 . 2]" 1
1023 1 11 ASN QB 1 40 SER H . . 5.500 4.247 2.444 4.963 . 0 0 "[ . 1 . 2]" 1
1024 1 10 ARG HA 1 40 SER H . . 5.500 5.009 3.674 5.605 0.105 8 0 "[ . 1 . 2]" 1
1025 1 40 SER H 1 64 PRO HA . . 5.500 5.609 5.521 5.716 0.216 1 0 "[ . 1 . 2]" 1
1026 1 39 SER H 1 40 SER H . . 5.500 2.971 2.388 3.762 . 0 0 "[ . 1 . 2]" 1
1027 1 40 SER H 1 41 ARG H . . 5.500 4.607 4.241 4.692 . 0 0 "[ . 1 . 2]" 1
1028 1 12 SER QB 1 41 ARG H . . 5.500 3.245 2.019 4.974 . 0 0 "[ . 1 . 2]" 1
1029 1 12 SER QB 1 43 HIS H . . 5.500 2.656 1.661 3.461 . 0 0 "[ . 1 . 2]" 1
1030 1 44 PRO QG 1 45 THR H . . 4.500 2.244 2.145 2.374 . 0 0 "[ . 1 . 2]" 1
1031 1 45 THR H 1 45 THR HB . . 3.500 2.614 2.562 2.714 . 0 0 "[ . 1 . 2]" 1
1032 1 44 PRO QD 1 45 THR H . . 5.500 3.063 3.000 3.139 . 0 0 "[ . 1 . 2]" 1
1033 1 45 THR H 1 46 ALA H . . 3.500 2.530 2.491 2.575 . 0 0 "[ . 1 . 2]" 1
1034 1 45 THR H 1 47 ILE H . . 5.500 4.238 4.175 4.344 . 0 0 "[ . 1 . 2]" 1
1035 1 43 HIS HA 1 46 ALA H . . 5.500 4.618 4.516 4.725 . 0 0 "[ . 1 . 2]" 1
1036 1 46 ALA H 1 47 ILE H . . 3.500 2.877 2.806 2.945 . 0 0 "[ . 1 . 2]" 1
1037 1 43 HIS H 1 46 ALA H . . 5.500 4.892 4.684 5.149 . 0 0 "[ . 1 . 2]" 1
1038 1 47 ILE H 1 48 ALA H . . 3.500 2.946 2.877 3.029 . 0 0 "[ . 1 . 2]" 1
1039 1 48 ALA MB 1 50 MET H . . 5.500 4.332 4.289 4.380 . 0 0 "[ . 1 . 2]" 1
1040 1 47 ILE HA 1 50 MET H . . 5.500 4.003 3.852 4.212 . 0 0 "[ . 1 . 2]" 1
1041 1 50 MET H 1 52 GLU H . . 5.500 3.920 3.844 4.023 . 0 0 "[ . 1 . 2]" 1
1042 1 50 MET H 1 51 GLU H . . 3.500 2.487 2.433 2.589 . 0 0 "[ . 1 . 2]" 1
1043 1 51 GLU H 1 52 GLU H . . 3.500 2.803 2.743 2.871 . 0 0 "[ . 1 . 2]" 1
1044 1 52 GLU H 1 53 VAL QG . . 5.500 3.928 3.811 4.143 . 0 0 "[ . 1 . 2]" 1
1045 1 52 GLU H 1 53 VAL H . . 3.500 2.879 2.757 2.939 . 0 0 "[ . 1 . 2]" 1
1046 1 52 GLU H 1 54 GLY H . . 5.500 4.273 4.152 4.382 . 0 0 "[ . 1 . 2]" 1
1047 1 49 MET QB 1 53 VAL H . . 5.500 5.606 5.579 5.650 0.150 3 0 "[ . 1 . 2]" 1
1048 1 53 VAL H 1 54 GLY H . . 3.500 2.624 2.557 2.726 . 0 0 "[ . 1 . 2]" 1
1049 1 51 GLU H 1 53 VAL H . . 5.500 4.280 4.192 4.390 . 0 0 "[ . 1 . 2]" 1
1050 1 53 VAL QG 1 54 GLY H . . 4.500 3.469 3.325 3.784 . 0 0 "[ . 1 . 2]" 1
1051 1 53 VAL HB 1 54 GLY H . . 5.500 4.479 3.950 4.586 . 0 0 "[ . 1 . 2]" 1
1052 1 51 GLU H 1 54 GLY H . . 5.500 5.262 5.144 5.364 . 0 0 "[ . 1 . 2]" 1
1053 1 53 VAL H 1 55 ILE H . . 4.500 3.392 3.270 3.572 . 0 0 "[ . 1 . 2]" 1
1054 1 54 GLY H 1 55 ILE H . . 2.800 2.541 2.457 2.661 . 0 0 "[ . 1 . 2]" 1
1055 1 54 GLY QA 1 55 ILE H . . 4.500 2.919 2.879 2.940 . 0 0 "[ . 1 . 2]" 1
1056 1 51 GLU HA 1 57 ILE H . . 5.500 5.188 4.909 5.541 0.041 8 0 "[ . 1 . 2]" 1
1057 1 56 ASP HA 1 57 ILE H . . 3.500 2.232 2.173 2.486 . 0 0 "[ . 1 . 2]" 1
1058 1 56 ASP H 1 57 ILE H . . 4.500 4.443 3.988 4.501 0.001 5 0 "[ . 1 . 2]" 1
1059 1 57 ILE QG 1 58 SER H . . 4.500 3.111 2.909 3.314 . 0 0 "[ . 1 . 2]" 1
1060 1 47 ILE QG 1 58 SER H . . 5.500 3.115 2.853 3.447 . 0 0 "[ . 1 . 2]" 1
1061 1 59 GLY H 1 60 GLN H . . 4.500 2.705 2.596 3.106 . 0 0 "[ . 1 . 2]" 1
1062 1 58 SER H 1 59 GLY H . . 5.500 2.868 2.627 4.619 . 0 0 "[ . 1 . 2]" 1
1063 1 60 GLN H 1 61 THR H . . 5.500 4.649 4.531 4.706 . 0 0 "[ . 1 . 2]" 1
1064 1 58 SER H 1 60 GLN H . . 5.500 4.218 4.015 4.847 . 0 0 "[ . 1 . 2]" 1
1065 1 39 SER QB 1 63 ASP H . . 5.500 3.749 2.823 4.885 . 0 0 "[ . 1 . 2]" 1
1066 1 62 SER H 1 63 ASP H . . 5.500 4.009 2.848 4.415 . 0 0 "[ . 1 . 2]" 1
1067 1 64 PRO HA 1 65 ILE H . . 3.500 2.256 2.205 2.309 . 0 0 "[ . 1 . 2]" 1
1068 1 65 ILE H 1 66 GLU H . . 4.500 3.006 2.838 3.197 . 0 0 "[ . 1 . 2]" 1
1069 1 64 PRO HA 1 66 GLU H . . 5.500 4.318 3.949 4.619 . 0 0 "[ . 1 . 2]" 1
1070 1 66 GLU H 1 67 ASN H . . 4.500 2.475 2.385 2.582 . 0 0 "[ . 1 . 2]" 1
1071 1 67 ASN H 1 68 PHE H . . 3.500 2.231 2.135 2.334 . 0 0 "[ . 1 . 2]" 1
1072 1 67 ASN QB 1 68 PHE H . . 5.500 2.685 2.528 2.860 . 0 0 "[ . 1 . 2]" 1
1073 1 66 GLU H 1 68 PHE H . . 5.500 4.155 3.998 4.378 . 0 0 "[ . 1 . 2]" 1
1074 1 68 PHE HA 1 69 ASN H . . 3.500 2.497 2.310 3.522 0.022 14 0 "[ . 1 . 2]" 1
1075 1 69 ASN H 1 69 ASN QD . . 5.500 3.409 2.428 4.769 . 0 0 "[ . 1 . 2]" 1
1076 1 69 ASN H 1 70 ALA H . . 5.500 4.117 3.581 4.277 . 0 0 "[ . 1 . 2]" 1
1077 1 68 PHE H 1 69 ASN H . . 5.500 4.484 2.950 4.684 . 0 0 "[ . 1 . 2]" 1
1078 1 69 ASN HA 1 70 ALA H . . 3.500 2.158 2.096 2.226 . 0 0 "[ . 1 . 2]" 1
1079 1 70 ALA H 1 71 ASP H . . 4.500 3.095 3.021 3.180 . 0 0 "[ . 1 . 2]" 1
1080 1 70 ALA H 1 90 TRP HE1 . . 5.500 5.109 4.256 5.504 0.004 9 0 "[ . 1 . 2]" 1
1081 1 69 ASN HA 1 71 ASP H . . 5.500 3.946 3.646 4.157 . 0 0 "[ . 1 . 2]" 1
1082 1 71 ASP H 1 72 ASP H . . 3.500 2.533 2.311 2.719 . 0 0 "[ . 1 . 2]" 1
1083 1 72 ASP H 1 73 TYR H . . 3.500 2.565 2.467 2.665 . 0 0 "[ . 1 . 2]" 1
1084 1 69 ASN QB 1 72 ASP H . . 5.500 4.651 4.029 4.997 . 0 0 "[ . 1 . 2]" 1
1085 1 70 ALA MB 1 72 ASP H . . 5.500 4.772 4.660 4.920 . 0 0 "[ . 1 . 2]" 1
1086 1 74 ASP H 1 75 VAL QG . . 5.500 4.057 3.752 4.236 . 0 0 "[ . 1 . 2]" 1
1087 1 74 ASP H 1 75 VAL HA . . 5.500 5.489 5.102 5.540 0.040 3 0 "[ . 1 . 2]" 1
1088 1 73 TYR H 1 74 ASP H . . 5.500 3.877 3.486 4.497 . 0 0 "[ . 1 . 2]" 1
1089 1 74 ASP H 1 75 VAL H . . 3.500 2.821 2.319 2.909 . 0 0 "[ . 1 . 2]" 1
1090 1 83 GLY H 1 84 VAL H . . 5.500 3.174 2.938 3.832 . 0 0 "[ . 1 . 2]" 1
1091 1 76 VAL H 1 95 ILE HB . . 4.500 3.791 3.684 3.929 . 0 0 "[ . 1 . 2]" 1
1092 1 75 VAL HA 1 76 VAL H . . 3.500 2.196 2.155 2.260 . 0 0 "[ . 1 . 2]" 1
1093 1 76 VAL H 1 96 PHE HA . . 4.500 3.102 2.949 3.340 . 0 0 "[ . 1 . 2]" 1
1094 1 76 VAL H 1 95 ILE H . . 5.500 3.966 3.794 4.211 . 0 0 "[ . 1 . 2]" 1
1095 1 75 VAL H 1 76 VAL H . . 5.500 4.250 3.914 4.360 . 0 0 "[ . 1 . 2]" 1
1096 1 76 VAL H 1 77 ILE H . . 5.500 4.404 4.260 4.503 . 0 0 "[ . 1 . 2]" 1
1097 1 6 PHE HA 1 77 ILE H . . 4.500 2.917 2.750 3.104 . 0 0 "[ . 1 . 2]" 1
1098 1 78 SER H 1 78 SER QB . . 3.500 2.309 2.157 2.452 . 0 0 "[ . 1 . 2]" 1
1099 1 78 SER H 1 96 PHE HA . . 5.500 5.212 4.983 5.435 . 0 0 "[ . 1 . 2]" 1
1100 1 78 SER H 1 97 GLU H . . 4.500 3.434 3.173 3.696 . 0 0 "[ . 1 . 2]" 1
1101 1 78 SER H 1 99 TRP H . . 5.500 4.008 3.409 4.335 . 0 0 "[ . 1 . 2]" 1
1102 1 78 SER QB 1 80 CYS H . . 4.500 3.716 3.154 4.464 . 0 0 "[ . 1 . 2]" 1
1103 1 78 SER HA 1 80 CYS H . . 4.500 3.898 3.071 4.531 0.031 13 0 "[ . 1 . 2]" 1
1104 1 80 CYS H 1 82 CYS H . . 5.500 4.122 3.258 5.100 . 0 0 "[ . 1 . 2]" 1
1105 1 80 CYS H 1 81 GLY H . . 5.500 3.586 1.922 4.686 . 0 0 "[ . 1 . 2]" 1
1106 1 82 CYS H 1 83 GLY H . . 5.500 2.527 1.876 3.061 . 0 0 "[ . 1 . 2]" 1
1107 1 84 VAL HA 1 85 ASN H . . 4.500 3.448 3.349 3.505 . 0 0 "[ . 1 . 2]" 1
1108 1 85 ASN H 1 86 LEU H . . 3.500 2.498 1.961 2.732 . 0 0 "[ . 1 . 2]" 1
1109 1 89 GLU H 1 90 TRP H . . 4.500 2.632 1.876 3.001 . 0 0 "[ . 1 . 2]" 1
1110 1 90 TRP H 1 91 VAL H . . 3.500 2.665 2.510 3.034 . 0 0 "[ . 1 . 2]" 1
1111 1 90 TRP H 1 91 VAL QG . . 5.500 3.791 3.181 4.364 . 0 0 "[ . 1 . 2]" 1
1112 1 91 VAL H 1 92 THR H . . 2.800 2.283 1.995 2.682 . 0 0 "[ . 1 . 2]" 1
1113 1 91 VAL QG 1 92 THR H . . 4.500 3.164 2.880 3.318 . 0 0 "[ . 1 . 2]" 1
1114 1 91 VAL HB 1 92 THR H . . 5.500 3.209 2.729 4.369 . 0 0 "[ . 1 . 2]" 1
1115 1 91 VAL HA 1 92 THR H . . 4.500 3.554 3.326 3.626 . 0 0 "[ . 1 . 2]" 1
1116 1 92 THR H 1 93 GLN H . . 4.500 3.070 2.377 3.547 . 0 0 "[ . 1 . 2]" 1
1117 1 76 VAL QG 1 93 GLN H . . 5.500 4.204 3.936 4.635 . 0 0 "[ . 1 . 2]" 1
1118 1 76 VAL QG 1 94 GLU H . . 5.500 5.154 4.886 5.503 0.003 13 0 "[ . 1 . 2]" 1
1119 1 74 ASP QB 1 94 GLU H . . 5.500 4.204 3.585 4.982 . 0 0 "[ . 1 . 2]" 1
1120 1 74 ASP HA 1 94 GLU H . . 4.500 3.290 3.003 3.790 . 0 0 "[ . 1 . 2]" 1
1121 1 94 GLU H 1 95 ILE H . . 4.500 2.981 2.896 3.082 . 0 0 "[ . 1 . 2]" 1
1122 1 93 GLN QB 1 95 ILE H . . 5.500 3.205 2.975 3.367 . 0 0 "[ . 1 . 2]" 1
1123 1 75 VAL HA 1 95 ILE H . . 3.500 3.030 2.846 3.253 . 0 0 "[ . 1 . 2]" 1
1124 1 95 ILE QG 1 96 PHE H . . 4.500 4.190 4.106 4.286 . 0 0 "[ . 1 . 2]" 1
1125 1 95 ILE HB 1 96 PHE H . . 5.500 4.347 4.295 4.458 . 0 0 "[ . 1 . 2]" 1
1126 1 95 ILE HA 1 96 PHE H . . 2.800 2.130 2.102 2.148 . 0 0 "[ . 1 . 2]" 1
1127 1 95 ILE H 1 96 PHE H . . 5.500 4.224 4.082 4.283 . 0 0 "[ . 1 . 2]" 1
1128 1 98 ASP H 1 99 TRP H . . 5.500 4.236 3.975 4.466 . 0 0 "[ . 1 . 2]" 1
1129 1 100 GLN H 1 101 LEU H . . 5.500 3.350 2.824 4.186 . 0 0 "[ . 1 . 2]" 1
1130 1 101 LEU H 1 101 LEU HG . . 5.500 2.637 2.372 3.022 . 0 0 "[ . 1 . 2]" 1
1131 1 102 GLU H 1 103 ASP H . . 5.500 4.606 4.368 4.729 . 0 0 "[ . 1 . 2]" 1
1132 1 103 ASP QB 1 105 ASP H . . 5.500 3.800 3.249 4.364 . 0 0 "[ . 1 . 2]" 1
1133 1 43 HIS HE1 1 105 ASP H . . 5.500 5.581 5.545 5.627 0.127 12 0 "[ . 1 . 2]" 1
1134 1 105 ASP H 1 106 GLY H . . 5.500 4.343 3.557 4.496 . 0 0 "[ . 1 . 2]" 1
1135 1 106 GLY H 1 107 GLN H . . 4.500 2.612 1.883 2.883 . 0 0 "[ . 1 . 2]" 1
1136 1 105 ASP H 1 107 GLN H . . 5.500 4.562 4.475 4.645 . 0 0 "[ . 1 . 2]" 1
1137 1 107 GLN QB 1 108 SER H . . 3.500 2.252 1.975 2.465 . 0 0 "[ . 1 . 2]" 1
1138 1 107 GLN HA 1 108 SER H . . 3.500 2.930 2.440 3.559 0.059 12 0 "[ . 1 . 2]" 1
1139 1 108 SER H 1 109 LEU H . . 5.500 4.507 4.204 4.714 . 0 0 "[ . 1 . 2]" 1
1140 1 110 GLU H 1 111 VAL MG2 . . 5.500 4.363 4.230 4.534 . 0 0 "[ . 1 . 2]" 1
1141 1 110 GLU H 1 110 GLU QG . . 4.500 2.744 2.166 3.950 . 0 0 "[ . 1 . 2]" 1
1142 1 110 GLU H 1 111 VAL H . . 3.500 2.747 2.647 2.840 . 0 0 "[ . 1 . 2]" 1
1143 1 109 LEU H 1 110 GLU H . . 4.500 2.765 2.653 2.884 . 0 0 "[ . 1 . 2]" 1
1144 1 110 GLU H 1 112 PHE H . . 5.500 4.031 3.858 4.222 . 0 0 "[ . 1 . 2]" 1
1145 1 111 VAL H 1 111 VAL HB . . 3.500 2.499 2.422 2.673 . 0 0 "[ . 1 . 2]" 1
1146 1 111 VAL H 1 112 PHE H . . 3.500 2.401 2.357 2.462 . 0 0 "[ . 1 . 2]" 1
1147 1 112 PHE H 1 115 VAL QG . . 4.500 4.270 4.133 4.511 0.011 3 0 "[ . 1 . 2]" 1
1148 1 110 GLU QB 1 112 PHE H . . 4.500 4.618 4.582 4.771 0.271 9 0 "[ . 1 . 2]" 1
1149 1 112 PHE H 1 113 ARG H . . 4.500 2.746 2.489 2.886 . 0 0 "[ . 1 . 2]" 1
1150 1 49 MET QG 1 113 ARG H . . 5.500 3.759 3.162 4.158 . 0 0 "[ . 1 . 2]" 1
1151 1 113 ARG H 1 114 THR H . . 3.500 2.718 2.664 2.764 . 0 0 "[ . 1 . 2]" 1
1152 1 115 VAL H 1 115 VAL QG . . 3.500 1.995 1.920 2.023 . 0 0 "[ . 1 . 2]" 1
1153 1 115 VAL H 1 115 VAL HB . . 3.500 3.654 3.624 3.666 0.166 15 0 "[ . 1 . 2]" 1
1154 1 115 VAL H 1 118 GLN H . . 5.500 4.855 4.773 4.949 . 0 0 "[ . 1 . 2]" 1
1155 1 114 THR H 1 115 VAL H . . 3.500 3.034 2.747 3.111 . 0 0 "[ . 1 . 2]" 1
1156 1 114 THR HA 1 115 VAL H . . 4.500 3.685 3.667 3.701 . 0 0 "[ . 1 . 2]" 1
1157 1 116 ARG H 1 117 GLY H . . 4.500 2.807 2.694 2.923 . 0 0 "[ . 1 . 2]" 1
1158 1 117 GLY QA 1 118 GLN H . . 3.500 2.682 2.627 2.740 . 0 0 "[ . 1 . 2]" 1
1159 1 118 GLN H 1 120 LYS H . . 5.500 4.401 4.280 4.525 . 0 0 "[ . 1 . 2]" 1
1160 1 118 GLN H 1 119 VAL H . . 3.500 2.841 2.783 2.958 . 0 0 "[ . 1 . 2]" 1
1161 1 119 VAL H 1 120 LYS H . . 3.500 2.938 2.781 3.089 . 0 0 "[ . 1 . 2]" 1
1162 1 120 LYS H 1 123 VAL HB . . 5.500 5.016 4.681 5.506 0.006 10 0 "[ . 1 . 2]" 1
1163 1 121 GLU H 1 122 ARG QB . . 5.500 4.900 4.764 5.031 . 0 0 "[ . 1 . 2]" 1
1164 1 120 LYS QB 1 121 GLU H . . 3.500 2.357 2.258 2.524 . 0 0 "[ . 1 . 2]" 1
1165 1 121 GLU H 1 121 GLU QB . . 3.500 2.221 2.150 2.526 . 0 0 "[ . 1 . 2]" 1
1166 1 120 LYS HA 1 121 GLU H . . 4.500 3.576 3.546 3.604 . 0 0 "[ . 1 . 2]" 1
1167 1 118 GLN HA 1 121 GLU H . . 4.500 3.776 3.579 4.077 . 0 0 "[ . 1 . 2]" 1
1168 1 120 LYS H 1 121 GLU H . . 4.500 3.019 2.956 3.103 . 0 0 "[ . 1 . 2]" 1
1169 1 121 GLU H 1 124 GLU H . . 5.500 4.853 4.754 5.016 . 0 0 "[ . 1 . 2]" 1
1170 1 121 GLU QB 1 122 ARG H . . 3.500 2.546 2.423 2.638 . 0 0 "[ . 1 . 2]" 1
1171 1 119 VAL HA 1 122 ARG H . . 5.500 3.532 3.311 3.674 . 0 0 "[ . 1 . 2]" 1
1172 1 121 GLU HA 1 122 ARG H . . 5.500 3.590 3.576 3.607 . 0 0 "[ . 1 . 2]" 1
1173 1 122 ARG H 1 123 VAL H . . 3.500 2.573 2.435 2.728 . 0 0 "[ . 1 . 2]" 1
1174 1 122 ARG H 1 124 GLU H . . 5.500 4.194 3.990 4.310 . 0 0 "[ . 1 . 2]" 1
1175 1 122 ARG H 1 125 ASN H . . 5.500 4.947 4.828 5.090 . 0 0 "[ . 1 . 2]" 1
1176 1 119 VAL HA 1 123 VAL H . . 5.500 3.661 3.558 3.789 . 0 0 "[ . 1 . 2]" 1
1177 1 123 VAL H 1 125 ASN H . . 5.500 4.396 4.259 4.535 . 0 0 "[ . 1 . 2]" 1
1178 1 123 VAL H 1 124 GLU H . . 3.500 2.766 2.658 2.832 . 0 0 "[ . 1 . 2]" 1
1179 1 124 GLU H 1 125 ASN H . . 3.500 2.871 2.779 2.941 . 0 0 "[ . 1 . 2]" 1
1180 1 125 ASN H 1 126 LEU H . . 3.500 2.969 2.911 3.041 . 0 0 "[ . 1 . 2]" 1
1181 1 126 LEU H 1 127 ILE H . . 3.500 2.813 2.633 2.939 . 0 0 "[ . 1 . 2]" 1
1182 1 126 LEU H 1 128 ALA H . . 5.500 4.016 3.709 4.155 . 0 0 "[ . 1 . 2]" 1
1183 1 99 TRP HZ2 1 126 LEU H . . 5.500 4.260 3.984 4.507 . 0 0 "[ . 1 . 2]" 1
1184 1 99 TRP HH2 1 126 LEU H . . 5.500 5.117 4.835 5.501 0.001 16 0 "[ . 1 . 2]" 1
1185 1 127 ILE H 1 128 ALA H . . 3.500 2.759 2.731 2.783 . 0 0 "[ . 1 . 2]" 1
1186 1 127 ILE HA 1 128 ALA H . . 4.500 3.533 3.499 3.555 . 0 0 "[ . 1 . 2]" 1
1187 1 128 ALA H 1 129 LYS H . . 3.500 2.756 2.708 2.804 . 0 0 "[ . 1 . 2]" 1
1188 1 129 LYS H 1 130 ILE QG . . 5.500 3.499 3.229 3.691 . 0 0 "[ . 1 . 2]" 1
1189 1 127 ILE HA 1 129 LYS H . . 5.500 4.022 3.750 4.249 . 0 0 "[ . 1 . 2]" 1
1190 1 129 LYS H 1 130 ILE HA . . 5.500 5.239 5.026 5.375 . 0 0 "[ . 1 . 2]" 1
1191 1 127 ILE H 1 129 LYS H . . 5.500 4.425 4.315 4.528 . 0 0 "[ . 1 . 2]" 1
1192 1 127 ILE HA 1 130 ILE H . . 4.500 3.769 3.608 3.916 . 0 0 "[ . 1 . 2]" 1
1193 1 130 ILE QG 1 131 SER H . . 5.500 3.291 2.938 3.867 . 0 0 "[ . 1 . 2]" 1
1194 1 130 ILE HB 1 131 SER H . . 4.500 4.326 4.120 4.488 . 0 0 "[ . 1 . 2]" 1
1195 1 127 ILE HA 1 131 SER H . . 5.500 5.026 4.486 5.540 0.040 1 0 "[ . 1 . 2]" 1
1196 1 130 ILE HA 1 131 SER H . . 3.500 3.207 2.858 3.395 . 0 0 "[ . 1 . 2]" 1
1197 1 99 TRP HA 1 99 TRP HE1 . . 5.500 4.953 4.719 5.210 . 0 0 "[ . 1 . 2]" 1
1198 1 90 TRP H 1 90 TRP HE1 . . 5.500 5.594 5.520 5.649 0.149 13 0 "[ . 1 . 2]" 1
1199 1 69 ASN HA 1 90 TRP HE1 . . 5.500 4.625 3.352 5.179 . 0 0 "[ . 1 . 2]" 1
1200 1 66 GLU HA 1 90 TRP HE1 . . 5.500 3.388 3.064 3.519 . 0 0 "[ . 1 . 2]" 1
1201 1 16 GLN H 1 18 ALA MB . . 5.500 5.041 4.889 5.339 . 0 0 "[ . 1 . 2]" 1
1202 1 16 GLN H 1 18 ALA H . . 5.500 4.482 4.251 4.759 . 0 0 "[ . 1 . 2]" 1
1203 1 16 GLN H 1 19 GLU H . . 5.500 4.556 4.468 4.659 . 0 0 "[ . 1 . 2]" 1
1204 1 107 GLN HA 1 107 GLN QE . . 5.500 3.904 3.003 5.031 . 0 0 "[ . 1 . 2]" 1
1205 1 122 ARG HA 1 125 ASN QD . . 5.500 3.264 2.761 3.621 . 0 0 "[ . 1 . 2]" 1
1206 1 16 GLN QE 1 62 SER HA . . 5.500 3.151 2.003 3.703 . 0 0 "[ . 1 . 2]" 1
1207 1 16 GLN QE 1 57 ILE HA . . 5.500 5.285 4.879 5.518 0.018 10 0 "[ . 1 . 2]" 1
1208 1 122 ARG HE 1 125 ASN QD . . 5.500 5.432 4.573 5.568 0.068 8 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 3
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 12.821
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0279
_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 80 CYS 0.641 0.072 16 0 "[ . 1 . 2]"
1 82 CYS 0.641 0.072 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 80 CYS SG 1 82 CYS SG . . 2.100 2.042 2.033 2.053 . 0 0 "[ . 1 . 2]" 2
2 1 80 CYS SG 1 82 CYS CB . . 3.100 3.119 3.050 3.172 0.072 16 0 "[ . 1 . 2]" 2
3 1 80 CYS CB 1 82 CYS SG . . 3.100 3.091 3.059 3.137 0.037 7 0 "[ . 1 . 2]" 2
stop_
save_
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