NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
431958 |
2jrb   |
15325 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jrb
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 873
_Distance_constraint_stats_list.Viol_count 4936
_Distance_constraint_stats_list.Viol_total 21481.723
_Distance_constraint_stats_list.Viol_max 0.829
_Distance_constraint_stats_list.Viol_rms 0.0500
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.1088
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 16 PHE 19.237 0.288 28 0 "[ . 1 . 2 . 3 . 4]"
1 17 SER 32.039 0.372 20 0 "[ . 1 . 2 . 3 . 4]"
1 18 PRO 20.060 0.304 38 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 20.053 0.325 19 0 "[ . 1 . 2 . 3 . 4]"
1 20 THR 25.049 0.372 20 0 "[ . 1 . 2 . 3 . 4]"
1 21 MET 32.238 0.411 14 0 "[ . 1 . 2 . 3 . 4]"
1 22 LYS 22.115 0.491 16 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 6.611 0.307 25 0 "[ . 1 . 2 . 3 . 4]"
1 24 ARG 11.937 0.270 29 0 "[ . 1 . 2 . 3 . 4]"
1 25 ARG 6.664 0.270 29 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 19.221 0.344 16 0 "[ . 1 . 2 . 3 . 4]"
1 27 TRP 26.717 0.420 15 0 "[ . 1 . 2 . 3 . 4]"
1 28 THR 12.305 0.248 34 0 "[ . 1 . 2 . 3 . 4]"
1 29 ASP 0.097 0.097 11 0 "[ . 1 . 2 . 3 . 4]"
1 30 VAL 8.552 0.170 13 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 12.155 0.248 34 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 5.464 0.401 35 0 "[ . 1 . 2 . 3 . 4]"
1 33 THR 16.451 0.434 37 0 "[ . 1 . 2 . 3 . 4]"
1 34 LEU 15.338 0.392 1 0 "[ . 1 . 2 . 3 . 4]"
1 35 ARG 2.216 0.286 23 0 "[ . 1 . 2 . 3 . 4]"
1 36 GLU 6.716 0.434 37 0 "[ . 1 . 2 . 3 . 4]"
1 37 HIS 10.427 0.288 14 0 "[ . 1 . 2 . 3 . 4]"
1 38 LYS 10.678 0.397 6 0 "[ . 1 . 2 . 3 . 4]"
1 39 CYS 9.761 0.443 28 0 "[ . 1 . 2 . 3 . 4]"
1 40 GLN 21.153 0.443 28 0 "[ . 1 . 2 . 3 . 4]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 ARG 10.630 0.392 1 0 "[ . 1 . 2 . 3 . 4]"
1 43 LEU 61.713 0.425 16 0 "[ . 1 . 2 . 3 . 4]"
1 44 LEU 33.763 0.390 29 0 "[ . 1 . 2 . 3 . 4]"
1 45 TYR 13.084 0.157 10 0 "[ . 1 . 2 . 3 . 4]"
1 46 PRO 12.893 0.217 1 0 "[ . 1 . 2 . 3 . 4]"
1 47 ALA 18.905 0.302 20 0 "[ . 1 . 2 . 3 . 4]"
1 48 LYS 10.152 0.329 16 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 24.664 0.420 15 0 "[ . 1 . 2 . 3 . 4]"
1 50 SER 1.837 0.266 40 0 "[ . 1 . 2 . 3 . 4]"
1 51 ILE 33.345 0.441 9 0 "[ . 1 . 2 . 3 . 4]"
1 52 THR 13.070 0.335 31 0 "[ . 1 . 2 . 3 . 4]"
1 53 ILE 16.761 0.373 3 0 "[ . 1 . 2 . 3 . 4]"
1 54 ASP 3.905 0.148 39 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLY 3.644 0.262 36 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 9.404 0.433 14 0 "[ . 1 . 2 . 3 . 4]"
1 57 THR 9.370 0.326 14 0 "[ . 1 . 2 . 3 . 4]"
1 58 LYS 9.725 0.245 28 0 "[ . 1 . 2 . 3 . 4]"
1 59 VAL 27.063 0.338 37 0 "[ . 1 . 2 . 3 . 4]"
1 60 PHE 9.538 0.266 40 0 "[ . 1 . 2 . 3 . 4]"
1 61 HIS 2.659 0.299 15 0 "[ . 1 . 2 . 3 . 4]"
1 62 ASP 0.031 0.031 5 0 "[ . 1 . 2 . 3 . 4]"
1 63 LYS 2.933 0.129 13 0 "[ . 1 . 2 . 3 . 4]"
1 64 THR 13.716 0.240 11 0 "[ . 1 . 2 . 3 . 4]"
1 65 LYS 14.102 0.239 11 0 "[ . 1 . 2 . 3 . 4]"
1 66 PHE 30.935 0.245 19 0 "[ . 1 . 2 . 3 . 4]"
1 67 THR 20.460 0.297 25 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLN 14.057 0.289 29 0 "[ . 1 . 2 . 3 . 4]"
1 69 TYR 20.512 0.829 25 1 "[ . 1 . 2 + 3 . 4]"
1 70 LEU 37.285 0.829 25 1 "[ . 1 . 2 + 3 . 4]"
1 71 SER 1.365 0.168 33 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 13.441 0.289 29 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASN 21.367 0.390 21 0 "[ . 1 . 2 . 3 . 4]"
1 74 PRO 4.421 0.207 27 0 "[ . 1 . 2 . 3 . 4]"
1 75 ALA 0.033 0.033 25 0 "[ . 1 . 2 . 3 . 4]"
1 76 LEU 34.186 0.465 30 0 "[ . 1 . 2 . 3 . 4]"
1 77 GLN 7.418 0.270 26 0 "[ . 1 . 2 . 3 . 4]"
1 78 ARG 12.398 0.441 34 0 "[ . 1 . 2 . 3 . 4]"
1 79 ILE 7.830 0.382 29 0 "[ . 1 . 2 . 3 . 4]"
1 80 ILE 14.896 0.382 29 0 "[ . 1 . 2 . 3 . 4]"
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 16 PHE H 1 17 SER H 4.000 . 5.000 2.463 1.666 3.389 0.134 6 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 16 PHE HA 1 17 SER H 4.000 . 5.000 3.258 3.100 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 16 PHE QB 1 17 SER H 3.000 . 3.500 3.257 2.331 3.612 0.112 35 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 16 PHE QD 1 17 SER H 4.000 . 5.000 4.238 3.311 4.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 16 PHE H 1 19 GLU H 4.000 . 5.000 4.993 4.428 5.156 0.156 28 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 16 PHE QD 1 19 GLU QG 4.000 . 5.000 4.395 3.426 5.032 0.032 22 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 16 PHE QB 1 20 THR HB 4.000 . 5.000 2.368 2.252 2.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 16 PHE QB 1 20 THR MG 3.000 . 3.800 2.779 2.441 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 16 PHE QD 1 20 THR MG 3.000 . 3.800 2.664 2.277 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 16 PHE QD 1 20 THR HB 4.000 . 5.000 3.468 2.880 3.890 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 16 PHE HA 1 20 THR MG 4.000 . 5.500 3.617 3.463 3.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 16 PHE QB 1 21 MET H 4.000 . 5.000 4.002 3.670 4.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 16 PHE QD 1 21 MET ME 4.000 . 5.500 5.572 5.398 5.684 0.184 6 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 16 PHE QB 1 21 MET ME 4.000 . 5.500 4.012 3.883 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 16 PHE QB 1 21 MET QG 4.000 . 5.000 5.209 5.136 5.279 0.279 3 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 17 SER H 1 18 PRO QD 4.000 . 5.500 1.931 1.738 2.484 0.062 12 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 17 SER QB 1 18 PRO QD 3.000 . 3.800 2.195 1.926 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 17 SER HA 1 18 PRO QD 2.500 . 3.200 3.455 3.425 3.504 0.304 38 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 17 SER QB 1 19 GLU H 4.000 . 5.000 5.003 4.761 5.183 0.183 13 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 17 SER HA 1 19 GLU H 4.000 . 5.000 5.191 5.048 5.325 0.325 19 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 17 SER H 1 20 THR MG 4.000 . 5.500 5.736 5.567 5.872 0.372 20 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 18 PRO QG 1 19 GLU H 2.500 . 2.900 2.232 1.910 2.991 0.091 19 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 18 PRO HA 1 19 GLU H 4.000 . 5.000 3.589 3.570 3.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 18 PRO QB 1 19 GLU H 3.000 . 3.500 2.907 2.461 3.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 18 PRO QD 1 19 GLU H 3.000 . 4.000 2.146 1.883 3.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 18 PRO HA 1 21 MET H 4.000 . 5.000 4.982 4.772 5.106 0.106 23 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 18 PRO HA 1 22 LYS H 4.000 . 5.000 4.505 4.011 5.010 0.010 32 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 19 GLU H 1 20 THR H 3.000 . 3.500 2.617 2.537 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 19 GLU QG 1 20 THR H 3.000 . 3.500 1.816 1.692 2.932 0.108 32 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 19 GLU QB 1 20 THR H 3.000 . 3.500 3.007 2.280 3.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 19 GLU HA 1 20 THR H 3.000 . 3.500 3.570 3.557 3.587 0.087 30 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 19 GLU QG 1 20 THR HB 4.000 . 5.000 3.829 3.529 5.061 0.061 1 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 19 GLU HA 1 21 MET H 4.000 . 5.000 4.854 4.448 5.078 0.078 10 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 19 GLU HA 1 22 LYS QD 4.000 . 5.000 3.443 2.308 5.204 0.204 23 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 19 GLU HA 1 22 LYS H 4.000 . 5.000 3.952 3.616 4.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 19 GLU HA 1 23 ALA H 4.000 . 5.000 4.786 4.516 4.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 20 THR MG 1 21 MET H 3.000 . 4.000 3.382 3.167 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 20 THR HB 1 21 MET H 3.000 . 3.500 2.375 2.223 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 20 THR HA 1 21 MET H 3.000 . 3.500 3.567 3.541 3.590 0.090 29 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 20 THR HB 1 21 MET QG 4.000 . 5.000 5.050 4.979 5.158 0.158 1 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 20 THR MG 1 23 ALA MB 3.000 . 4.300 3.418 3.069 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 20 THR HA 1 23 ALA MB 2.500 . 3.200 3.027 2.782 3.263 0.063 12 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 20 THR HA 1 23 ALA H 3.000 . 3.500 3.564 3.432 3.672 0.172 14 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 20 THR MG 1 23 ALA H 4.000 . 5.500 4.515 4.328 4.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 20 THR MG 1 24 ARG H 4.000 . 5.500 4.077 3.787 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 20 THR MG 1 24 ARG QD 3.000 . 3.800 3.568 2.751 3.943 0.143 21 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 20 THR HA 1 24 ARG H 4.000 . 5.000 4.535 4.197 4.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 20 THR MG 1 45 TYR QD 4.000 . 5.500 4.998 4.436 5.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 20 THR MG 1 45 TYR QE 4.000 . 5.500 5.459 4.917 5.606 0.106 34 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 20 THR MG 1 46 PRO QB 3.000 . 4.300 2.448 2.069 3.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 20 THR MG 1 46 PRO HA 4.000 . 5.500 4.125 3.683 4.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 20 THR MG 1 47 ALA H 4.000 . 5.500 4.209 3.632 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 20 THR HA 1 47 ALA MB 3.000 . 3.800 3.273 2.549 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 21 MET H 1 22 LYS H 3.000 . 3.500 2.810 2.665 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 21 MET HA 1 22 LYS H 3.000 . 3.500 3.560 3.480 3.609 0.109 14 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 21 MET ME 1 22 LYS H 4.000 . 5.500 5.488 5.286 5.633 0.133 25 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 21 MET QG 1 22 LYS H 4.000 . 5.000 4.223 4.004 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 21 MET QB 1 22 LYS H 4.000 . 6.000 2.719 2.374 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 21 MET H 1 23 ALA H 4.000 . 5.000 4.307 4.072 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 21 MET HA 1 24 ARG QD 3.000 . 3.300 2.893 2.277 3.306 0.006 31 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 21 MET HA 1 24 ARG H 3.000 . 3.500 2.981 2.817 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 21 MET HA 1 25 ARG H 4.000 . 5.000 3.923 3.695 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 21 MET QG 1 43 LEU MD1 4.000 . 5.500 5.777 5.588 5.911 0.411 14 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 22 LYS QB 1 23 ALA H 2.500 . 2.900 2.636 2.362 3.207 0.307 25 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 22 LYS HA 1 23 ALA H 3.000 . 3.500 3.555 3.499 3.583 0.083 37 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 22 LYS H 1 23 ALA H 3.000 . 3.500 2.769 2.499 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 22 LYS QB 1 23 ALA MB 4.000 . 5.500 3.942 3.838 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 22 LYS QG 1 23 ALA H 4.000 . 5.000 4.220 2.113 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 22 LYS QD 1 23 ALA H 4.000 . 5.000 4.550 2.461 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 22 LYS HA 1 25 ARG H 4.000 . 5.000 3.078 2.872 3.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 22 LYS HA 1 25 ARG QD 4.000 . 5.000 4.597 3.719 5.050 0.050 18 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 22 LYS HA 1 26 ALA H 3.000 . 3.500 3.741 3.644 3.844 0.344 16 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 23 ALA H 1 24 ARG H 3.000 . 3.500 2.587 2.390 2.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 23 ALA HA 1 24 ARG H 3.000 . 3.500 3.532 3.490 3.583 0.083 1 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 23 ALA MB 1 24 ARG H 2.500 . 3.400 2.514 2.235 2.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 23 ALA HA 1 26 ALA MB 3.000 . 3.800 2.722 2.403 3.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 23 ALA MB 1 47 ALA MB 2.500 . 3.700 1.921 1.882 1.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 24 ARG QG 1 25 ARG H 4.000 . 6.000 3.849 2.466 4.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 24 ARG QD 1 25 ARG H 4.000 . 5.000 4.831 4.497 5.154 0.154 3 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 24 ARG H 1 25 ARG H 3.000 . 3.500 2.554 2.415 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 24 ARG QG 1 25 ARG QB 4.000 . 5.000 4.967 3.432 5.270 0.270 29 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 24 ARG QB 1 25 ARG H 3.000 . 3.500 2.693 2.184 3.560 0.060 1 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 24 ARG HA 1 27 TRP HD1 3.000 . 3.300 2.533 2.309 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 24 ARG H 1 43 LEU MD1 4.000 . 5.500 4.917 4.684 5.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 24 ARG H 1 43 LEU MD2 4.000 . 5.500 5.611 5.514 5.674 0.174 37 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 24 ARG HA 1 43 LEU MD2 4.000 . 5.500 3.745 3.455 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 24 ARG HA 1 43 LEU MD1 4.000 . 5.500 2.539 2.283 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 24 ARG QB 1 43 LEU MD1 4.000 . 5.500 3.214 2.139 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 24 ARG QB 1 43 LEU MD2 4.000 . 5.500 4.157 2.912 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 24 ARG QD 1 43 LEU MD2 4.000 . 5.500 4.312 3.525 4.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 24 ARG QD 1 47 ALA MB 4.000 . 5.500 4.493 3.615 5.506 0.006 12 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 24 ARG H 1 47 ALA MB 3.000 . 4.000 3.468 2.580 4.015 0.015 15 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 25 ARG QD 1 26 ALA H 4.000 . 5.500 4.101 2.753 4.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 25 ARG H 1 26 ALA H 3.000 . 3.500 2.623 2.448 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 25 ARG HA 1 26 ALA H 3.000 . 3.500 3.563 3.542 3.579 0.079 12 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 25 ARG QB 1 26 ALA H 3.000 . 3.500 2.403 2.127 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 25 ARG H 1 26 ALA MB 4.000 . 5.500 4.267 4.101 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 25 ARG QB 1 26 ALA HA 4.000 . 5.000 4.014 3.877 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 25 ARG HA 1 28 THR H 3.000 . 3.500 3.105 2.885 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 25 ARG QD 1 28 THR H 4.000 . 5.000 4.412 3.629 5.026 0.026 25 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 25 ARG HA 1 28 THR MG 4.000 . 5.500 3.922 3.154 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 25 ARG H 1 43 LEU MD1 4.000 . 5.500 5.261 5.046 5.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 26 ALA H 1 27 TRP HE3 4.000 . 5.000 5.127 5.023 5.270 0.270 25 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 26 ALA HA 1 27 TRP H 4.000 . 5.000 3.488 3.422 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 26 ALA MB 1 27 TRP H 4.000 . 5.500 2.644 2.134 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 26 ALA MB 1 27 TRP QB 4.000 . 5.500 4.314 4.056 4.429 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 26 ALA MB 1 27 TRP HD1 4.000 . 5.500 5.536 5.327 5.631 0.131 17 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 26 ALA HA 1 28 THR H 4.000 . 5.000 3.880 3.567 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 27 TRP H 1 28 THR H 3.000 . 3.500 2.484 2.266 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 27 TRP HA 1 28 THR H 4.000 . 5.000 3.446 3.399 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 27 TRP QB 1 28 THR H 4.000 . 5.000 2.955 2.354 3.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 27 TRP HE3 1 30 VAL HB 4.000 . 5.000 5.052 4.903 5.170 0.170 13 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 27 TRP HA 1 30 VAL HB 4.000 . 5.000 4.743 4.607 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 27 TRP HA 1 30 VAL QG 3.000 . 3.800 2.029 2.009 2.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 27 TRP HZ3 1 30 VAL QG 4.000 . 5.500 3.436 3.186 3.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 27 TRP HE3 1 30 VAL QG 3.000 . 3.800 2.420 2.297 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 27 TRP HH2 1 30 VAL QG 4.000 . 5.500 5.192 4.827 5.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 27 TRP QB 1 31 ILE MD 2.500 . 3.200 2.868 2.215 3.224 0.024 18 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 27 TRP HD1 1 31 ILE MD 4.000 . 5.500 5.054 4.208 5.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 27 TRP HA 1 31 ILE MD 4.000 . 5.500 4.200 3.738 4.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 27 TRP H 1 43 LEU MD1 4.000 . 5.500 4.494 4.113 5.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 27 TRP HD1 1 43 LEU MD1 3.000 . 3.800 2.459 2.273 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 27 TRP HD1 1 43 LEU MD2 3.000 . 3.800 2.495 2.256 2.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 27 TRP QB 1 43 LEU MD1 4.000 . 5.500 2.323 2.008 2.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 27 TRP QB 1 43 LEU MD2 4.000 . 5.500 3.726 3.469 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 27 TRP HD1 1 47 ALA MB 3.000 . 3.800 3.972 3.760 4.102 0.302 20 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 27 TRP HZ2 1 47 ALA MB 4.000 . 5.500 4.154 3.768 4.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 27 TRP HD1 1 48 LYS H 4.000 . 5.000 3.947 3.527 4.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 27 TRP HZ3 1 49 LEU QD 4.000 . 5.500 4.446 3.471 5.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 27 TRP HE3 1 49 LEU QB 4.000 . 5.000 3.684 3.480 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 27 TRP HD1 1 49 LEU QD 4.000 . 5.500 3.964 3.188 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 27 TRP HZ2 1 49 LEU QB 4.000 . 5.000 3.596 3.250 4.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 27 TRP HZ2 1 49 LEU H 4.000 . 5.000 3.602 3.316 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 27 TRP HH2 1 49 LEU H 4.000 . 5.000 5.153 5.017 5.420 0.420 15 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 27 TRP HH2 1 60 PHE QB 4.000 . 5.000 2.998 2.362 4.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 27 TRP HZ2 1 60 PHE QB 4.000 . 5.000 3.604 2.772 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 27 TRP HZ2 1 62 ASP HA 4.000 . 5.000 3.892 3.335 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 27 TRP HH2 1 63 LYS HA 4.000 . 5.000 2.328 2.259 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 27 TRP HZ2 1 63 LYS HA 4.000 . 5.000 4.244 3.880 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 27 TRP HZ3 1 63 LYS HA 4.000 . 5.000 2.778 2.333 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 27 TRP HZ2 1 66 PHE QB 4.000 . 5.000 4.547 4.308 4.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 27 TRP HZ3 1 66 PHE QB 4.000 . 5.000 2.613 2.096 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 27 TRP HH2 1 66 PHE QB 4.000 . 5.000 2.526 2.284 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 27 TRP HH2 1 66 PHE H 4.000 . 5.000 3.477 2.992 4.107 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 27 TRP HH2 1 67 THR H 4.000 . 5.000 5.106 4.968 5.297 0.297 25 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 28 THR MG 1 29 ASP H 4.000 . 5.500 3.486 3.033 4.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 28 THR HB 1 29 ASP H 4.000 . 5.000 2.284 2.047 3.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 28 THR HA 1 29 ASP H 4.000 . 5.000 3.574 3.542 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 28 THR H 1 29 ASP H 3.000 . 3.500 2.617 2.420 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 28 THR MG 1 29 ASP QB 4.000 . 5.500 4.733 3.988 5.597 0.097 11 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 28 THR MG 1 29 ASP HA 4.000 . 5.500 3.807 3.220 5.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 28 THR HB 1 31 ILE MG 4.000 . 5.500 5.554 4.979 5.672 0.172 37 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 28 THR MG 1 31 ILE MD 2.500 . 3.700 3.463 2.787 3.710 0.010 12 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 28 THR H 1 31 ILE MD 4.000 . 5.500 4.054 3.054 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 28 THR HB 1 31 ILE MD 4.000 . 5.500 4.896 4.298 5.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 28 THR HB 1 31 ILE H 4.000 . 5.000 5.193 5.122 5.248 0.248 34 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 28 THR MG 1 31 ILE MG 3.000 . 4.300 3.613 3.434 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 28 THR MG 1 32 GLN QG 4.000 . 5.500 4.947 3.896 5.654 0.154 12 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 29 ASP QB 1 30 VAL QG 3.000 . 3.800 2.865 2.743 3.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 29 ASP QB 1 30 VAL H 3.000 . 3.500 2.486 2.227 3.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 29 ASP HA 1 30 VAL H 4.000 . 5.000 3.578 3.561 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 29 ASP HA 1 32 GLN QG 4.000 . 5.000 3.374 2.539 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 29 ASP HA 1 32 GLN QB 4.000 . 5.000 4.183 2.888 4.921 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 29 ASP HA 1 32 GLN H 4.000 . 5.000 3.893 3.649 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 30 VAL H 1 31 ILE HB 4.000 . 5.000 4.427 4.332 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 30 VAL HA 1 31 ILE H 4.000 . 5.000 3.527 3.448 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 30 VAL HB 1 31 ILE H 4.000 . 5.000 3.902 3.796 4.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 30 VAL QG 1 31 ILE H 4.000 . 5.500 2.127 1.916 2.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 30 VAL QG 1 31 ILE HA 4.000 . 5.500 3.236 3.038 3.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 30 VAL HA 1 33 THR HB 4.000 . 5.000 2.398 2.283 2.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 30 VAL HA 1 33 THR MG 4.000 . 5.500 3.779 2.820 4.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 30 VAL HA 1 33 THR H 3.000 . 3.500 2.939 2.721 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 30 VAL QG 1 34 LEU QB 4.000 . 5.500 4.225 3.618 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 30 VAL QG 1 49 LEU QD 3.000 . 4.300 2.657 1.926 3.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 30 VAL QG 1 49 LEU QB 4.000 . 5.500 3.907 3.548 4.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 30 VAL QG 1 66 PHE QE 3.000 . 3.800 2.927 2.439 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 30 VAL QG 1 66 PHE QB 4.000 . 5.500 4.244 3.837 4.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 30 VAL QG 1 66 PHE QD 4.000 . 5.500 3.516 2.842 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 30 VAL QG 1 66 PHE HZ 3.000 . 3.800 3.692 3.227 3.955 0.155 21 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 31 ILE MG 1 32 GLN H 3.000 . 4.000 2.727 2.290 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 31 ILE MG 1 32 GLN HA 4.000 . 5.500 3.098 2.999 3.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 31 ILE HB 1 32 GLN H 3.000 . 3.500 3.008 2.794 3.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 31 ILE HA 1 32 GLN H 4.000 . 5.000 3.559 3.497 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 31 ILE HA 1 34 LEU QB 4.000 . 5.000 2.909 2.551 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 31 ILE HA 1 34 LEU HG 4.000 . 5.000 4.202 3.836 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 31 ILE MG 1 35 ARG QD 4.000 . 6.000 4.280 2.636 6.029 0.029 27 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 31 ILE HG12 1 41 PRO QB 4.000 . 5.000 2.388 2.302 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 31 ILE MD 1 43 LEU H 4.000 . 5.500 3.549 3.137 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 31 ILE MD 1 49 LEU HA 4.000 . 5.500 5.422 4.563 5.647 0.147 15 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 31 ILE MD 1 49 LEU QD 3.000 . 4.300 3.210 2.738 3.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 31 ILE HA 1 49 LEU QD 4.000 . 5.500 3.807 3.117 4.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 31 ILE HG13 1 49 LEU QD 4.000 . 5.500 2.677 2.294 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 31 ILE HG12 1 49 LEU QD 4.000 . 5.500 3.540 2.550 4.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 32 GLN QG 1 33 THR H 4.000 . 5.000 2.364 1.943 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 32 GLN HA 1 33 THR H 3.000 . 3.500 3.512 3.482 3.561 0.061 34 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 32 GLN QG 1 33 THR HA 3.000 . 3.500 3.425 3.119 3.563 0.063 16 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 32 GLN QB 1 33 THR H 3.000 . 3.500 3.403 2.818 3.606 0.106 22 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 32 GLN HA 1 35 ARG QD 4.000 . 5.500 3.805 2.261 5.529 0.029 27 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 32 GLN HA 1 35 ARG H 4.000 . 5.000 3.947 3.610 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 33 THR HB 1 34 LEU H 4.000 . 5.000 2.393 2.025 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 33 THR HA 1 34 LEU H 4.000 . 5.000 3.579 3.465 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 33 THR MG 1 34 LEU H 4.000 . 5.500 3.407 2.902 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 33 THR HB 1 36 GLU QB 4.000 . 5.000 5.063 4.286 5.290 0.290 16 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 33 THR HB 1 36 GLU QG 4.000 . 5.000 4.812 4.379 5.434 0.434 37 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 33 THR MG 1 36 GLU QB 4.000 . 5.500 3.220 2.665 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 33 THR MG 1 36 GLU QG 4.000 . 5.500 2.905 2.202 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 33 THR MG 1 37 HIS HD2 3.000 . 3.800 3.906 3.772 4.088 0.288 14 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 33 THR MG 1 66 PHE QE 4.000 . 5.500 5.568 5.310 5.704 0.204 36 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 33 THR MG 1 79 ILE MG 3.000 . 4.300 3.989 2.325 4.336 0.036 21 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 33 THR MG 1 79 ILE HB 4.000 . 5.500 5.382 4.410 5.659 0.159 27 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 33 THR MG 1 80 ILE MD 2.500 . 3.700 3.302 2.059 3.757 0.057 15 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 33 THR HB 1 80 ILE MD 4.000 . 5.500 4.864 3.565 5.567 0.067 36 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 33 THR MG 1 80 ILE HA 3.000 . 3.800 2.502 2.035 3.874 0.074 3 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 33 THR MG 1 80 ILE MG 2.500 . 3.700 2.525 2.148 3.718 0.018 3 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 34 LEU QB 1 35 ARG H 4.000 . 5.000 2.474 2.122 2.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 34 LEU QB 1 35 ARG QG 4.000 . 5.000 4.513 3.177 5.286 0.286 23 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 34 LEU HG 1 35 ARG H 4.000 . 5.000 4.932 4.569 5.120 0.120 1 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 34 LEU MD1 1 35 ARG H 4.000 . 5.500 4.543 4.273 4.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 34 LEU QB 1 39 CYS H 4.000 . 5.000 4.852 4.330 5.092 0.092 32 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 34 LEU MD1 1 39 CYS H 4.000 . 5.500 4.613 3.633 5.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 34 LEU HA 1 39 CYS QB 4.000 . 5.000 3.760 3.008 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 34 LEU QB 1 39 CYS QB 4.000 . 5.000 3.291 2.193 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 34 LEU MD1 1 39 CYS QB 3.000 . 3.800 2.148 1.953 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 34 LEU QB 1 41 PRO QB 4.000 . 5.000 2.116 2.026 2.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 34 LEU QB 1 41 PRO QG 4.000 . 5.000 2.413 2.159 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 34 LEU HG 1 41 PRO QB 4.000 . 5.000 2.438 2.265 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 34 LEU HG 1 42 ARG QD 4.000 . 5.500 5.758 5.545 5.892 0.392 1 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 34 LEU HG 1 49 LEU QD 3.000 . 3.800 3.397 3.110 3.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 34 LEU HG 1 66 PHE QE 4.000 . 5.000 4.892 4.463 5.079 0.079 40 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 34 LEU HG 1 66 PHE HZ 4.000 . 5.000 4.907 4.390 5.119 0.119 35 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 34 LEU MD1 1 66 PHE HZ 3.000 . 3.800 3.643 3.210 3.943 0.143 9 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 35 ARG H 1 41 PRO QG 4.000 . 5.000 2.848 2.106 3.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 36 GLU QB 1 37 HIS HD2 4.000 . 5.000 3.728 2.403 5.149 0.149 17 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 36 GLU QG 1 37 HIS HD2 4.000 . 5.000 3.880 2.272 5.180 0.180 16 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 37 HIS QB 1 38 LYS H 4.000 . 5.000 1.937 1.722 2.252 0.078 40 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 37 HIS HE1 1 38 LYS H 4.000 . 5.000 4.349 3.594 5.162 0.162 23 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 37 HIS HE1 1 38 LYS QG 4.000 . 5.000 4.559 2.758 5.140 0.140 40 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 37 HIS HA 1 38 LYS H 3.000 . 3.500 3.029 2.906 3.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 37 HIS QB 1 76 LEU MD2 4.000 . 5.500 4.199 3.455 5.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 37 HIS HD2 1 76 LEU MD1 4.000 . 5.500 5.589 5.460 5.675 0.175 40 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 37 HIS QB 1 79 ILE MG 4.000 . 5.500 2.761 1.914 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 37 HIS HD2 1 79 ILE MG 4.000 . 5.500 2.957 2.089 4.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 38 LYS HA 1 39 CYS H 4.000 . 5.000 2.605 2.213 3.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 38 LYS QB 1 39 CYS H 4.000 . 5.000 3.855 3.325 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 38 LYS HA 1 40 GLN H 4.000 . 5.000 5.202 5.121 5.397 0.397 6 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 39 CYS QB 1 40 GLN H 3.000 . 3.500 3.682 3.545 3.943 0.443 28 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 39 CYS HA 1 40 GLN H 4.000 . 5.000 2.181 2.106 2.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 39 CYS H 1 40 GLN HA 4.000 . 5.000 4.426 4.148 5.084 0.084 36 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 39 CYS QB 1 51 ILE HB 4.000 . 5.000 3.422 2.503 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 39 CYS QB 1 51 ILE HA 4.000 . 5.000 4.366 3.418 5.067 0.067 22 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 39 CYS QB 1 51 ILE QG 4.000 . 5.000 3.709 2.947 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 39 CYS QB 1 51 ILE MG 4.000 . 5.500 3.914 2.969 4.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 39 CYS QB 1 52 THR H 3.000 . 3.500 3.110 1.895 3.731 0.231 22 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 40 GLN HA 1 42 ARG QD 4.000 . 5.500 4.812 3.947 5.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 40 GLN QG 1 52 THR HB 4.000 . 5.000 4.159 2.425 5.054 0.054 3 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 40 GLN QG 1 52 THR MG 4.000 . 5.500 4.397 3.262 5.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 40 GLN HA 1 52 THR HB 4.000 . 5.000 5.137 5.063 5.302 0.302 36 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 41 PRO HA 1 42 ARG H 2.500 . 2.900 2.269 2.205 2.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 41 PRO QB 1 42 ARG H 4.000 . 5.000 3.035 2.853 3.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 41 PRO QB 1 42 ARG QD 4.000 . 5.500 4.060 3.830 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 41 PRO HA 1 42 ARG HA 4.000 . 5.000 4.534 4.505 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 41 PRO QG 1 42 ARG QD 4.000 . 5.500 4.772 4.289 4.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 41 PRO QB 1 49 LEU QD 3.000 . 3.800 2.890 2.551 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 41 PRO HA 1 49 LEU QD 4.000 . 5.500 3.356 2.860 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 41 PRO HA 1 51 ILE MG 3.000 . 3.800 2.931 2.252 3.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 41 PRO HA 1 51 ILE HA 4.000 . 5.000 3.020 2.661 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 41 PRO QB 1 51 ILE MG 3.000 . 3.800 3.210 2.833 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 42 ARG H 1 43 LEU H 4.000 . 5.000 4.179 4.046 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 42 ARG QB 1 43 LEU H 3.000 . 3.500 3.317 2.939 3.501 0.001 2 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 42 ARG QD 1 43 LEU H 4.000 . 5.500 5.151 4.726 5.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 42 ARG HA 1 43 LEU H 2.500 . 2.900 2.233 2.205 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 42 ARG QG 1 43 LEU H 4.000 . 5.500 4.504 4.022 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 42 ARG HA 1 44 LEU MD2 4.000 . 5.500 4.160 3.870 4.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 42 ARG QB 1 50 SER QB 4.000 . 5.000 3.495 2.285 4.821 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 42 ARG H 1 51 ILE MG 3.000 . 4.000 3.799 3.207 4.080 0.080 11 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 42 ARG H 1 51 ILE HA 4.000 . 5.000 3.986 3.632 4.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 43 LEU QB 1 44 LEU H 3.000 . 3.500 3.762 3.679 3.815 0.315 7 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 43 LEU HA 1 44 LEU H 3.000 . 3.500 2.134 2.102 2.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 43 LEU H 1 44 LEU MD2 3.000 . 4.000 3.700 3.535 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 43 LEU MD1 1 44 LEU H 4.000 . 5.500 4.696 4.572 4.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 43 LEU MD2 1 44 LEU H 3.000 . 4.000 2.177 1.966 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 43 LEU HG 1 44 LEU H 3.000 . 3.500 3.660 3.600 3.715 0.215 23 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 43 LEU H 1 44 LEU MD1 4.000 . 5.500 5.324 3.814 5.890 0.390 29 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 43 LEU MD1 1 47 ALA H 4.000 . 5.500 5.570 5.489 5.662 0.162 37 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 43 LEU MD1 1 47 ALA HA 3.000 . 3.800 3.820 3.620 3.919 0.119 15 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 43 LEU MD2 1 47 ALA HA 3.000 . 3.800 2.746 2.409 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 43 LEU H 1 49 LEU QD 4.000 . 5.500 3.927 3.388 4.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 43 LEU MD1 1 49 LEU QD 4.000 . 6.000 3.838 3.259 4.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 43 LEU MD2 1 49 LEU QD 3.000 . 4.300 3.844 3.375 4.324 0.024 29 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 43 LEU HG 1 49 LEU QD 4.000 . 5.500 2.904 2.259 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 43 LEU HA 1 49 LEU QD 4.000 . 5.500 2.643 2.095 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 43 LEU HA 1 49 LEU HA 4.000 . 5.000 2.571 2.321 3.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 43 LEU MD2 1 49 LEU H 4.000 . 5.500 4.657 4.313 5.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 43 LEU MD2 1 50 SER H 4.000 . 5.500 5.022 4.728 5.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 43 LEU HA 1 50 SER H 4.000 . 5.000 3.494 3.121 3.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 44 LEU QB 1 45 TYR H 4.000 . 5.000 1.819 1.711 1.968 0.089 8 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 44 LEU MD1 1 45 TYR H 4.000 . 5.500 3.563 2.937 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 44 LEU HA 1 45 TYR H 2.500 . 2.900 2.952 2.871 3.000 0.100 36 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 44 LEU H 1 45 TYR H 4.000 . 5.000 4.224 4.129 4.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 44 LEU MD2 1 45 TYR H 4.000 . 5.500 4.141 3.823 4.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 44 LEU MD2 1 48 LYS QE 4.000 . 6.000 5.034 3.340 6.213 0.213 29 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 44 LEU MD2 1 48 LYS H 4.000 . 5.500 5.336 4.696 5.793 0.293 17 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 44 LEU MD1 1 48 LYS QE 4.000 . 6.000 4.261 2.228 6.234 0.234 11 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 44 LEU QB 1 48 LYS H 4.000 . 5.000 3.924 3.651 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 44 LEU H 1 49 LEU HA 4.000 . 5.000 3.025 2.502 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 44 LEU H 1 49 LEU QD 4.000 . 5.500 3.920 3.361 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 44 LEU MD1 1 49 LEU HA 4.000 . 5.500 5.301 4.621 5.750 0.250 34 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 44 LEU HG 1 50 SER QB 4.000 . 5.000 3.197 2.338 4.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 44 LEU MD2 1 50 SER H 4.000 . 5.500 3.247 2.113 4.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 44 LEU MD2 1 50 SER QB 3.000 . 3.800 2.733 2.014 3.856 0.056 24 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 44 LEU MD1 1 50 SER QB 4.000 . 5.500 3.296 1.988 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 44 LEU MD1 1 50 SER H 4.000 . 5.500 4.562 3.602 5.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 45 TYR QB 1 46 PRO HA 4.000 . 5.000 5.094 5.049 5.148 0.148 9 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 45 TYR QD 1 46 PRO HA 4.000 . 5.000 5.074 5.019 5.157 0.157 10 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 45 TYR QD 1 47 ALA H 4.000 . 5.000 2.937 2.718 3.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 45 TYR QB 1 47 ALA H 4.000 . 5.000 2.676 2.569 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 46 PRO QD 1 47 ALA H 3.000 . 3.500 3.654 3.561 3.717 0.217 1 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 46 PRO QB 1 47 ALA H 2.500 . 3.400 2.926 2.787 3.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 46 PRO HA 1 47 ALA H 4.000 . 5.000 3.510 3.477 3.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 46 PRO QG 1 47 ALA H 4.000 . 5.000 4.258 4.164 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 47 ALA H 1 48 LYS H 3.000 . 3.500 2.385 2.059 2.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 47 ALA HA 1 48 LYS H 4.000 . 6.000 2.914 2.677 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 47 ALA MB 1 48 LYS H 3.000 . 4.000 3.713 3.623 3.786 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 47 ALA H 1 48 LYS QG 4.000 . 5.500 4.390 3.448 5.575 0.075 24 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 47 ALA MB 1 49 LEU QB 4.000 . 5.500 5.459 5.085 5.678 0.178 6 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 48 LYS QD 1 49 LEU H 4.000 . 5.000 4.050 3.073 5.135 0.135 25 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 48 LYS HA 1 49 LEU H 2.500 . 2.900 2.194 2.145 2.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 48 LYS QG 1 49 LEU H 4.000 . 5.500 3.600 2.383 4.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 48 LYS QB 1 49 LEU H 3.000 . 4.000 3.563 2.768 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 48 LYS QE 1 49 LEU H 4.000 . 5.500 5.166 4.421 5.684 0.184 15 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 48 LYS QE 1 59 VAL MG1 4.000 . 6.000 2.816 1.966 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 48 LYS QB 1 59 VAL MG1 4.000 . 6.000 2.961 2.116 3.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 48 LYS QD 1 59 VAL MG1 2.500 . 3.200 2.355 2.051 2.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 48 LYS QE 1 59 VAL MG2 4.000 . 6.000 4.131 3.233 5.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 48 LYS QB 1 59 VAL MG2 4.000 . 6.000 4.916 4.147 5.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 48 LYS QD 1 60 PHE H 4.000 . 5.000 4.230 3.419 5.224 0.224 15 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 48 LYS H 1 61 HIS HE1 4.000 . 5.000 4.965 4.467 5.299 0.299 15 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 48 LYS QB 1 61 HIS HE1 4.000 . 5.500 4.688 2.475 5.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 48 LYS QG 1 61 HIS QB 4.000 . 6.000 3.926 2.447 5.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 48 LYS QB 1 61 HIS QB 4.000 . 6.000 4.961 4.117 5.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 48 LYS QG 1 61 HIS HA 4.000 . 5.500 3.238 2.356 5.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 48 LYS QD 1 61 HIS HD2 4.000 . 5.000 3.869 2.582 5.079 0.079 1 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 48 LYS QG 1 61 HIS HD2 4.000 . 5.500 4.432 3.159 5.698 0.198 15 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 48 LYS QE 1 61 HIS HD2 4.000 . 5.500 5.034 2.958 5.647 0.147 1 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 49 LEU QD 1 50 SER H 4.000 . 4.000 2.117 1.757 2.514 0.043 20 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 49 LEU HA 1 50 SER H 3.000 . 3.500 2.164 2.126 2.187 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 49 LEU HA 1 50 SER QB 4.000 . 5.000 4.239 3.957 4.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 49 LEU QD 1 51 ILE MD 4.000 . 6.000 4.034 2.920 4.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 49 LEU QD 1 51 ILE HB 4.000 . 5.500 4.221 3.825 4.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 49 LEU QD 1 51 ILE MG 3.000 . 4.300 1.953 1.759 2.118 0.041 3 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 49 LEU HA 1 59 VAL MG2 4.000 . 5.500 5.685 5.550 5.838 0.338 37 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 49 LEU HA 1 59 VAL MG1 4.000 . 5.500 3.837 3.613 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 49 LEU HA 1 60 PHE H 4.000 . 5.000 4.878 4.682 4.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 49 LEU QD 1 60 PHE H 4.000 . 5.500 3.985 3.183 4.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 49 LEU H 1 60 PHE H 3.000 . 3.500 2.982 2.645 3.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 49 LEU QB 1 60 PHE H 3.000 . 3.500 3.537 3.216 3.669 0.169 2 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 49 LEU H 1 60 PHE HA 4.000 . 5.000 5.058 4.799 5.176 0.176 24 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 49 LEU QB 1 60 PHE QD 4.000 . 5.000 3.391 2.467 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 49 LEU H 1 60 PHE QB 4.000 . 5.000 3.940 3.514 4.275 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 49 LEU QD 1 60 PHE QD 4.000 . 5.500 3.082 2.240 4.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 49 LEU QD 1 60 PHE QB 4.000 . 5.500 4.040 2.812 4.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 49 LEU H 1 60 PHE QD 4.000 . 5.000 4.562 3.713 5.067 0.067 28 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 49 LEU H 1 61 HIS HA 4.000 . 5.000 3.711 3.350 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 49 LEU QD 1 66 PHE QD 4.000 . 5.500 3.570 2.297 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 49 LEU QD 1 66 PHE QB 4.000 . 5.500 4.449 3.492 5.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 49 LEU QD 1 66 PHE QE 4.000 . 5.500 3.320 2.247 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 49 LEU QD 1 66 PHE HZ 4.000 . 5.500 4.511 3.716 5.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 50 SER HA 1 51 ILE H 3.000 . 3.500 2.261 2.154 2.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 50 SER QB 1 51 ILE H 4.000 . 5.000 3.324 2.668 3.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 50 SER HA 1 51 ILE MD 4.000 . 5.500 4.419 2.763 5.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 50 SER HA 1 51 ILE MG 4.000 . 5.500 3.744 3.130 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 50 SER QB 1 51 ILE MG 4.000 . 5.500 4.606 4.178 5.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 50 SER QB 1 57 THR MG 4.000 . 5.500 4.376 2.296 5.525 0.025 38 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 50 SER HA 1 58 LYS H 4.000 . 5.000 4.584 4.398 4.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 50 SER HA 1 59 VAL H 4.000 . 5.000 4.808 4.705 4.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 50 SER HA 1 59 VAL HA 3.000 . 3.300 2.287 2.224 2.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 50 SER HA 1 59 VAL MG1 4.000 . 5.500 2.269 2.222 2.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 50 SER HA 1 59 VAL MG2 3.000 . 3.800 2.423 2.286 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 50 SER QB 1 59 VAL MG1 4.000 . 5.500 2.382 2.156 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 50 SER QB 1 59 VAL MG2 3.000 . 3.800 2.248 1.995 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 50 SER H 1 59 VAL MG2 4.000 . 5.500 4.536 4.397 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 50 SER QB 1 60 PHE H 4.000 . 5.000 4.986 4.658 5.266 0.266 40 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 50 SER HA 1 60 PHE H 4.000 . 5.000 3.841 3.468 4.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 51 ILE MD 1 52 THR H 3.000 . 4.000 3.958 3.551 4.335 0.335 31 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 51 ILE HB 1 52 THR H 3.000 . 3.500 2.862 2.683 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 51 ILE MG 1 52 THR H 4.000 . 5.500 3.667 3.337 4.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 51 ILE MD 1 53 ILE QG 2.500 . 3.200 2.474 2.042 3.573 0.373 3 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 51 ILE QG 1 57 THR HA 4.000 . 5.000 4.728 4.100 5.150 0.150 37 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 51 ILE H 1 57 THR HA 4.000 . 5.000 4.542 4.320 5.029 0.029 23 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 51 ILE QG 1 58 LYS H 4.000 . 5.000 3.442 2.610 4.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 51 ILE H 1 58 LYS H 3.000 . 3.500 3.058 2.707 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 51 ILE MD 1 58 LYS H 4.000 . 5.500 2.958 1.773 4.883 0.027 14 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 51 ILE H 1 59 VAL HA 4.000 . 5.000 3.581 3.166 3.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 51 ILE H 1 59 VAL MG2 4.000 . 5.500 3.394 3.000 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 51 ILE H 1 59 VAL MG1 3.000 . 4.000 4.241 4.153 4.311 0.311 34 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 51 ILE MD 1 60 PHE QE 2.500 . 3.200 2.603 2.049 3.338 0.138 19 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 51 ILE MD 1 60 PHE HZ 4.000 . 5.500 3.289 2.291 4.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 51 ILE QG 1 60 PHE QE 4.000 . 5.000 2.287 2.022 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 51 ILE QG 1 60 PHE HZ 4.000 . 5.000 3.893 2.275 4.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 51 ILE QG 1 60 PHE QE 4.000 . 5.000 2.400 2.051 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 51 ILE QG 1 66 PHE HZ 4.000 . 5.000 4.921 4.492 5.215 0.215 40 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 51 ILE MG 1 66 PHE HZ 3.000 . 3.800 3.869 3.323 4.045 0.245 19 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 51 ILE MD 1 69 TYR QB 4.000 . 5.500 5.002 4.096 5.534 0.034 19 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 51 ILE MD 1 69 TYR QE 4.000 . 5.500 3.274 2.303 4.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 52 THR HB 1 53 ILE H 4.000 . 5.000 4.384 4.081 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 52 THR MG 1 53 ILE H 3.000 . 4.000 2.879 2.258 3.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 52 THR HA 1 53 ILE H 2.500 . 2.900 2.214 2.192 2.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 52 THR HA 1 53 ILE MG 4.000 . 5.500 5.523 5.422 5.573 0.073 24 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 52 THR HA 1 53 ILE HB 4.000 . 5.000 4.677 4.469 5.043 0.043 12 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 52 THR MG 1 54 ASP HA 4.000 . 5.500 4.898 3.468 5.648 0.148 39 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 52 THR MG 1 54 ASP H 4.000 . 5.500 4.025 2.891 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 52 THR MG 1 55 GLY H 3.000 . 4.000 2.821 2.108 3.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 52 THR MG 1 55 GLY QA 3.000 . 3.800 3.012 2.279 4.062 0.262 36 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 53 ILE QG 1 54 ASP H 4.000 . 5.000 4.240 3.823 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 53 ILE HA 1 54 ASP H 2.500 . 2.900 2.219 2.177 2.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 53 ILE MD 1 54 ASP H 4.000 . 5.500 4.892 3.670 5.564 0.064 36 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 53 ILE HB 1 54 ASP H 4.000 . 5.000 4.222 3.813 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 53 ILE MG 1 54 ASP QB 3.000 . 3.800 2.767 2.409 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 53 ILE MG 1 54 ASP H 3.000 . 4.000 2.725 2.235 3.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 53 ILE HA 1 55 GLY H 4.000 . 5.000 3.663 3.391 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 53 ILE MG 1 69 TYR QE 4.000 . 5.500 4.208 3.283 4.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 53 ILE MD 1 69 TYR QB 4.000 . 5.500 5.555 5.262 5.704 0.204 28 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 53 ILE MD 1 69 TYR QE 4.000 . 5.500 2.325 2.153 2.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 53 ILE MD 1 76 LEU HA 4.000 . 5.500 5.665 5.504 5.819 0.319 32 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 54 ASP QB 1 55 GLY H 4.000 . 5.000 3.799 3.699 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 54 ASP HA 1 55 GLY H 2.500 . 2.900 2.982 2.941 3.022 0.122 7 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 54 ASP H 1 55 GLY H 3.000 . 3.500 2.903 2.818 3.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 54 ASP H 1 55 GLY QA 4.000 . 5.000 4.812 4.723 4.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 55 GLY QA 1 56 GLU H 3.000 . 3.500 2.663 2.125 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 56 GLU HA 1 57 THR H 2.500 . 2.900 2.157 2.111 2.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 56 GLU QG 1 57 THR H 3.000 . 3.500 3.570 2.661 3.774 0.274 10 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 56 GLU QB 1 57 THR H 3.000 . 3.500 3.479 3.058 3.826 0.326 14 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 57 THR HB 1 58 LYS H 4.000 . 5.000 4.080 3.808 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 57 THR HA 1 58 LYS H 2.500 . 2.900 2.236 2.179 2.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 57 THR MG 1 58 LYS H 4.000 . 5.500 3.329 2.333 4.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 57 THR MG 1 59 VAL MG2 3.000 . 4.300 3.342 2.435 4.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 58 LYS QD 1 59 VAL H 2.500 . 2.900 2.307 1.752 3.041 0.141 27 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 58 LYS HA 1 59 VAL H 2.500 . 2.900 2.405 2.298 2.633 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 58 LYS QB 1 59 VAL H 3.000 . 3.500 3.181 2.774 3.525 0.025 22 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 58 LYS QG 1 59 VAL H 3.000 . 3.500 2.878 1.781 3.699 0.199 24 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 58 LYS HA 1 59 VAL HB 4.000 . 5.000 4.796 4.642 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 58 LYS HA 1 59 VAL MG2 3.000 . 3.800 3.060 2.893 3.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 58 LYS H 1 59 VAL MG1 4.000 . 5.500 5.603 5.537 5.745 0.245 28 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 58 LYS H 1 60 PHE QE 4.000 . 5.000 4.976 4.522 5.163 0.163 6 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 58 LYS QB 1 60 PHE QE 4.000 . 5.000 2.967 2.397 3.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 58 LYS QD 1 60 PHE HZ 4.000 . 5.000 3.324 2.330 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 58 LYS QD 1 60 PHE QE 4.000 . 5.000 3.307 2.401 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 58 LYS QG 1 60 PHE QE 4.000 . 5.000 3.556 2.229 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 58 LYS QE 1 69 TYR QE 4.000 . 5.000 3.862 2.115 5.077 0.077 18 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 58 LYS QD 1 69 TYR QD 4.000 . 5.000 4.514 3.540 5.125 0.125 6 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 58 LYS QD 1 69 TYR QE 4.000 . 5.000 4.399 3.730 5.047 0.047 17 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 59 VAL HA 1 60 PHE H 2.500 . 2.900 2.331 2.259 2.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 59 VAL HB 1 60 PHE H 4.000 . 5.000 3.535 3.301 3.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 59 VAL HA 1 60 PHE QD 4.000 . 5.000 3.117 2.595 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 59 VAL MG1 1 60 PHE H 4.000 . 6.500 1.919 1.784 2.126 0.016 16 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 59 VAL MG2 1 60 PHE H 4.000 . 5.500 4.022 3.896 4.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 60 PHE QD 1 61 HIS H 4.000 . 5.000 4.348 3.983 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 60 PHE QB 1 61 HIS H 3.000 . 3.500 3.002 2.670 3.305 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 60 PHE HA 1 61 HIS H 4.000 . 5.000 2.245 2.174 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 60 PHE QB 1 65 LYS QB 4.000 . 5.500 2.313 2.196 2.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 60 PHE QD 1 65 LYS QB 4.000 . 5.500 2.899 2.309 3.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 60 PHE QD 1 66 PHE HA 4.000 . 5.000 3.253 2.578 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 60 PHE QD 1 66 PHE H 4.000 . 5.000 4.122 3.347 4.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 60 PHE HZ 1 69 TYR QD 4.000 . 5.000 3.126 2.840 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 60 PHE QE 1 69 TYR QB 4.000 . 5.000 2.326 2.101 2.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 60 PHE HZ 1 69 TYR QE 4.000 . 5.000 3.616 3.155 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 61 HIS HA 1 62 ASP H 4.000 . 5.000 3.525 3.309 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 61 HIS QB 1 62 ASP H 4.000 . 5.500 2.729 2.235 3.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 61 HIS H 1 65 LYS QG 4.000 . 5.500 4.196 2.679 5.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 61 HIS QB 1 65 LYS QD 3.000 . 4.300 4.185 3.460 4.376 0.076 11 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 62 ASP HA 1 63 LYS H 3.000 . 3.500 2.324 2.164 2.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 62 ASP QB 1 63 LYS H 3.000 . 4.000 3.000 2.077 3.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 62 ASP HA 1 64 THR H 4.000 . 5.000 4.157 3.752 4.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 62 ASP QB 1 64 THR H 3.000 . 4.000 2.896 2.409 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 62 ASP H 1 65 LYS QD 3.000 . 4.000 3.650 3.158 4.031 0.031 5 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 62 ASP QB 1 65 LYS H 4.000 . 5.500 2.505 2.148 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 62 ASP H 1 65 LYS QG 4.000 . 5.500 4.528 3.423 5.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 62 ASP H 1 65 LYS QB 3.000 . 4.000 2.876 2.337 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 63 LYS QB 1 64 THR H 4.000 . 5.000 3.327 2.504 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 63 LYS HA 1 64 THR H 4.000 . 5.000 3.526 3.472 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 63 LYS QG 1 64 THR H 4.000 . 5.000 2.494 1.767 4.495 0.033 32 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 63 LYS HA 1 65 LYS H 4.000 . 5.000 4.712 4.453 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 63 LYS HA 1 66 PHE H 3.000 . 3.500 3.552 3.446 3.629 0.129 13 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 63 LYS HA 1 66 PHE QB 4.000 . 5.000 2.932 2.560 3.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 63 LYS HA 1 66 PHE QD 4.000 . 5.000 4.702 3.635 5.084 0.084 26 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 64 THR H 1 65 LYS QB 4.000 . 5.500 4.361 4.225 4.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 64 THR HB 1 65 LYS QD 4.000 . 5.500 5.343 4.520 5.683 0.183 12 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 64 THR HB 1 65 LYS QG 4.000 . 5.500 5.413 5.133 5.739 0.239 11 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 64 THR MG 1 65 LYS HA 4.000 . 5.500 3.429 3.100 3.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 64 THR HA 1 65 LYS H 4.000 . 5.000 3.570 3.541 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 64 THR HB 1 65 LYS H 3.000 . 3.500 2.277 2.122 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 64 THR MG 1 65 LYS H 3.000 . 4.000 3.253 2.871 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 64 THR H 1 66 PHE QB 4.000 . 5.000 4.948 4.723 5.133 0.133 33 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 64 THR HB 1 66 PHE H 4.000 . 5.000 4.862 4.653 5.033 0.033 33 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 64 THR MG 1 66 PHE H 4.000 . 5.500 4.864 4.634 5.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 64 THR H 1 67 THR H 4.000 . 5.000 4.953 4.712 5.165 0.165 24 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 64 THR HA 1 67 THR H 3.000 . 3.500 3.548 3.281 3.698 0.198 5 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 64 THR MG 1 68 GLN QG 4.000 . 5.500 2.278 2.074 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 64 THR MG 1 69 TYR H 4.000 . 5.500 5.613 5.440 5.740 0.240 11 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 65 LYS QB 1 66 PHE H 3.000 . 4.000 2.550 2.340 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 65 LYS HA 1 66 PHE H 3.000 . 3.500 3.565 3.534 3.588 0.088 9 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 65 LYS QD 1 66 PHE H 4.000 . 5.500 4.912 4.745 5.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 65 LYS QG 1 66 PHE H 4.000 . 5.500 4.076 3.775 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 65 LYS HA 1 68 GLN H 4.000 . 5.000 3.698 3.429 4.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 66 PHE HA 1 67 THR H 4.000 . 5.000 3.589 3.573 3.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 66 PHE QB 1 67 THR H 3.000 . 3.500 2.121 1.980 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 66 PHE H 1 67 THR H 3.000 . 3.500 2.895 2.817 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 66 PHE QD 1 67 THR H 3.000 . 3.500 2.943 2.790 3.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 66 PHE QE 1 67 THR H 4.000 . 5.000 5.124 5.033 5.232 0.232 3 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 66 PHE QD 1 67 THR MG 4.000 . 5.500 4.220 2.708 4.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 66 PHE QE 1 67 THR MG 4.000 . 5.500 5.325 4.512 5.692 0.192 13 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 66 PHE HA 1 69 TYR H 3.000 . 3.500 3.373 3.107 3.610 0.110 16 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 66 PHE HA 1 69 TYR QB 4.000 . 5.000 2.681 2.431 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 66 PHE HA 1 69 TYR QD 4.000 . 5.000 4.341 3.796 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 66 PHE QD 1 70 LEU H 4.000 . 5.000 4.981 4.533 5.147 0.147 12 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 66 PHE QE 1 70 LEU MD1 4.000 . 5.500 2.288 2.102 2.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 66 PHE HZ 1 70 LEU MD1 3.000 . 3.800 2.995 2.408 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 66 PHE HA 1 70 LEU HG 4.000 . 5.000 4.731 4.303 5.085 0.085 6 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 66 PHE HZ 1 70 LEU MD2 3.000 . 3.800 3.388 2.761 3.904 0.104 6 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 66 PHE QB 1 70 LEU MD1 4.000 . 5.500 4.944 4.653 5.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 66 PHE HZ 1 76 LEU MD1 3.000 . 3.800 3.869 3.119 3.978 0.178 4 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 66 PHE HZ 1 80 ILE MG 3.000 . 3.800 3.705 3.113 3.888 0.088 7 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 66 PHE QE 1 80 ILE QG 4.000 . 5.000 3.666 2.968 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 66 PHE HZ 1 80 ILE QG 4.000 . 5.000 3.610 3.088 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 66 PHE HZ 1 80 ILE QG 4.000 . 5.000 5.027 4.259 5.161 0.161 22 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 67 THR HB 1 68 GLN H 4.000 . 6.000 2.796 2.248 4.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 67 THR MG 1 68 GLN H 3.000 . 4.000 3.344 1.968 3.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 67 THR H 1 68 GLN H 3.000 . 3.500 2.953 2.837 3.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 67 THR HA 1 68 GLN H 3.000 . 3.500 3.561 3.523 3.581 0.081 29 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 67 THR HB 1 68 GLN QG 4.000 . 5.000 3.690 3.195 5.146 0.146 13 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 67 THR MG 1 68 GLN QG 3.000 . 3.800 3.769 2.377 4.044 0.244 26 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 67 THR HA 1 70 LEU H 3.000 . 3.500 3.496 3.211 3.634 0.134 5 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 67 THR HA 1 70 LEU MD1 4.000 . 5.500 2.999 2.560 3.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 67 THR HA 1 70 LEU MD2 4.000 . 5.500 4.772 4.384 5.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 67 THR HA 1 70 LEU QB 4.000 . 5.000 3.188 2.481 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 68 GLN HA 1 69 TYR H 3.000 . 3.500 3.564 3.544 3.585 0.085 16 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 68 GLN QG 1 69 TYR H 4.000 . 5.000 4.078 3.854 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 68 GLN QB 1 69 TYR H 2.500 . 2.900 2.490 2.351 2.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 68 GLN HA 1 71 SER H 4.000 . 5.000 3.044 2.865 3.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 68 GLN HA 1 72 THR HB 4.000 . 5.000 5.181 5.079 5.289 0.289 29 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 69 TYR QB 1 70 LEU H 3.000 . 3.500 2.642 2.274 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 69 TYR H 1 70 LEU H 3.000 . 3.500 2.818 2.637 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 69 TYR QD 1 70 LEU H 3.000 . 3.500 3.679 3.506 3.883 0.383 31 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 69 TYR HD2 1 70 LEU H 4.000 . 5.000 3.813 3.565 5.829 0.829 25 1 "[ . 1 . 2 + 3 . 4]" 1
545 1 69 TYR QD 1 70 LEU MD1 4.000 . 5.500 4.267 4.016 4.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 69 TYR HA 1 70 LEU H 4.000 . 5.000 3.538 3.500 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 69 TYR QD 1 70 LEU HA 4.000 . 5.000 3.908 3.105 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 69 TYR QE 1 70 LEU MD1 4.000 . 5.500 5.390 4.677 5.664 0.164 27 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 69 TYR HA 1 71 SER H 4.000 . 5.000 4.724 4.473 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 69 TYR HA 1 72 THR H 4.000 . 5.000 3.898 3.802 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 69 TYR QB 1 72 THR MG 4.000 . 5.500 3.938 3.841 4.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 69 TYR QD 1 72 THR MG 4.000 . 5.500 3.320 2.927 3.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 69 TYR HA 1 72 THR MG 4.000 . 5.500 2.265 2.168 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 69 TYR H 1 72 THR MG 4.000 . 5.500 4.186 4.089 4.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 69 TYR QE 1 72 THR MG 4.000 . 5.500 4.175 3.889 4.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 69 TYR QE 1 73 ASN QB 4.000 . 5.000 3.577 2.921 4.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 69 TYR QE 1 73 ASN QD 4.000 . 5.000 3.689 2.303 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 69 TYR QD 1 76 LEU MD1 3.000 . 3.800 3.465 2.772 3.855 0.055 19 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 69 TYR QE 1 76 LEU MD1 2.500 . 3.200 2.407 2.056 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 69 TYR QE 1 76 LEU MD2 4.000 . 5.500 4.907 4.257 5.665 0.165 29 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 69 TYR QE 1 76 LEU QB 4.000 . 5.000 4.309 3.521 5.047 0.047 10 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 70 LEU HA 1 71 SER H 4.000 . 5.000 3.551 3.527 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 70 LEU QB 1 71 SER H 4.000 . 5.000 2.507 2.313 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 70 LEU H 1 71 SER H 3.000 . 3.500 2.491 2.371 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 70 LEU MD2 1 71 SER H 4.000 . 5.500 4.504 4.282 4.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 70 LEU QB 1 71 SER HA 4.000 . 5.000 3.845 3.764 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 70 LEU HG 1 71 SER H 4.000 . 5.000 4.080 3.607 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 70 LEU HA 1 72 THR H 3.000 . 3.500 3.544 3.199 3.700 0.200 31 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 70 LEU MD2 1 72 THR H 4.000 . 5.500 4.971 4.614 5.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 70 LEU QB 1 72 THR H 4.000 . 5.000 4.259 4.080 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 70 LEU QB 1 73 ASN H 4.000 . 5.000 4.042 3.974 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 70 LEU MD2 1 73 ASN H 4.000 . 5.500 4.327 4.017 4.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 70 LEU HA 1 73 ASN QD 4.000 . 5.000 3.634 2.730 4.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 70 LEU HA 1 73 ASN H 3.000 . 3.500 2.756 2.482 3.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 70 LEU HA 1 73 ASN QB 4.000 . 5.000 2.266 2.185 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 70 LEU MD1 1 73 ASN QB 4.000 . 5.500 5.053 4.821 5.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 70 LEU MD1 1 73 ASN H 4.000 . 5.500 5.800 5.710 5.890 0.390 21 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 70 LEU MD2 1 76 LEU H 4.000 . 5.500 3.833 3.390 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 70 LEU MD1 1 76 LEU QB 4.000 . 5.500 3.083 2.805 3.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 70 LEU MD1 1 76 LEU HG 4.000 . 5.500 5.587 5.293 5.742 0.242 24 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 70 LEU HA 1 76 LEU MD1 4.000 . 5.500 4.304 3.452 5.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 70 LEU MD1 1 76 LEU MD1 2.500 . 3.700 3.622 3.252 3.951 0.251 30 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 70 LEU MD1 1 76 LEU H 4.000 . 5.500 5.482 5.304 5.670 0.170 8 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 70 LEU MD2 1 77 GLN H 3.000 . 4.000 3.178 2.278 4.006 0.006 31 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 70 LEU QB 1 77 GLN QB 4.000 . 5.500 3.292 2.354 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 70 LEU QB 1 77 GLN QG 4.000 . 5.000 2.242 1.967 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 70 LEU MD2 1 77 GLN QG 3.000 . 3.800 3.799 3.113 4.032 0.232 8 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 70 LEU MD2 1 77 GLN HA 4.000 . 5.500 4.036 3.167 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 70 LEU MD1 1 77 GLN HA 4.000 . 5.500 3.100 2.570 3.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 70 LEU MD1 1 77 GLN H 4.000 . 5.500 3.976 3.495 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 70 LEU MD1 1 80 ILE MD 3.000 . 4.300 2.832 2.123 4.556 0.256 26 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 70 LEU MD2 1 80 ILE HB 4.000 . 5.500 4.805 3.333 5.535 0.035 16 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 70 LEU MD1 1 80 ILE QG 4.000 . 5.500 2.989 2.166 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 70 LEU MD2 1 80 ILE H 4.000 . 5.500 5.276 4.503 5.630 0.130 17 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 70 LEU MD2 1 80 ILE MG 2.500 . 3.700 3.341 2.845 3.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 70 LEU MD1 1 80 ILE H 4.000 . 5.500 4.958 4.603 5.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 70 LEU MD1 1 80 ILE QG 3.000 . 3.800 2.202 1.921 2.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 71 SER QB 1 72 THR H 3.000 . 3.500 3.140 2.822 3.668 0.168 33 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 71 SER HA 1 72 THR H 3.000 . 3.500 3.446 3.339 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 71 SER H 1 72 THR MG 3.000 . 4.000 4.015 3.909 4.089 0.089 5 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 71 SER HA 1 73 ASN H 4.000 . 5.000 3.963 3.631 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 72 THR HA 1 73 ASN H 3.000 . 3.500 3.278 3.147 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 72 THR H 1 73 ASN H 2.500 . 2.900 2.194 1.774 2.450 0.026 30 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 72 THR MG 1 73 ASN H 3.000 . 4.000 3.043 2.509 3.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 72 THR H 1 73 ASN QB 4.000 . 5.000 3.912 3.607 4.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 72 THR HB 1 73 ASN H 4.000 . 5.000 4.380 4.139 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 72 THR MG 1 73 ASN QD 4.000 . 5.500 5.243 4.995 5.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 72 THR H 1 74 PRO QD 4.000 . 5.000 4.512 3.826 5.070 0.070 25 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 73 ASN H 1 74 PRO QD 4.000 . 5.000 2.948 2.511 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 73 ASN HA 1 74 PRO QD 2.500 . 2.700 2.178 2.108 2.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 73 ASN HA 1 75 ALA MB 4.000 . 5.500 4.283 4.022 4.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 73 ASN QB 1 76 LEU H 4.000 . 5.000 3.778 3.349 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 73 ASN QB 1 76 LEU MD1 4.000 . 5.500 3.750 3.170 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 73 ASN QB 1 76 LEU MD2 4.000 . 5.500 5.597 5.303 5.809 0.309 27 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 73 ASN QD 1 76 LEU MD1 4.000 . 5.500 2.535 1.885 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 73 ASN QD 1 76 LEU QB 4.000 . 5.000 2.140 1.729 3.186 0.071 26 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 73 ASN QB 1 77 GLN H 4.000 . 5.000 4.393 3.869 4.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 73 ASN H 1 77 GLN QB 4.000 . 5.500 4.873 3.907 5.637 0.137 28 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 73 ASN QD 1 80 ILE MG 4.000 . 5.500 5.547 5.018 5.772 0.272 26 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 74 PRO QD 1 75 ALA H 4.000 . 5.000 2.945 2.600 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 74 PRO QB 1 75 ALA H 4.000 . 5.000 2.916 2.290 3.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 74 PRO QG 1 75 ALA H 4.000 . 5.000 3.893 3.080 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 74 PRO QD 1 75 ALA MB 4.000 . 5.500 4.231 3.833 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 74 PRO QD 1 76 LEU H 4.000 . 5.000 5.107 5.011 5.207 0.207 27 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 74 PRO HA 1 76 LEU H 4.000 . 5.000 4.467 4.195 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 74 PRO HA 1 77 GLN H 3.000 . 3.500 3.338 3.091 3.531 0.031 17 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 74 PRO HA 1 77 GLN QB 2.500 . 3.200 2.213 2.047 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 74 PRO HA 1 78 ARG H 4.000 . 5.000 4.031 3.526 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 75 ALA MB 1 76 LEU H 3.000 . 4.000 2.289 2.120 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 75 ALA HA 1 78 ARG QD 4.000 . 5.000 3.948 2.331 5.033 0.033 25 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 75 ALA HA 1 78 ARG H 4.000 . 5.000 4.038 3.738 4.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 76 LEU QB 1 77 GLN H 3.000 . 3.500 2.565 2.226 3.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 76 LEU MD2 1 77 GLN H 4.000 . 5.500 4.596 4.412 4.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 76 LEU MD1 1 77 GLN H 4.000 . 5.500 4.567 4.162 5.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 76 LEU HA 1 77 GLN H 4.000 . 5.000 3.562 3.469 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 76 LEU HA 1 78 ARG H 4.000 . 5.000 4.018 3.629 4.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 76 LEU H 1 79 ILE MD 4.000 . 5.500 4.807 4.046 5.635 0.135 8 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 76 LEU H 1 79 ILE H 4.000 . 5.000 4.948 4.766 5.165 0.165 26 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 76 LEU HA 1 79 ILE H 4.000 . 5.000 3.129 2.832 3.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 76 LEU HA 1 79 ILE MG 4.000 . 5.500 4.258 3.757 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 76 LEU HA 1 79 ILE MD 3.000 . 3.800 2.910 2.284 3.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 76 LEU HA 1 79 ILE HB 3.000 . 3.300 2.750 2.337 3.345 0.045 8 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 76 LEU HA 1 79 ILE QG 4.000 . 5.000 3.639 2.794 4.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 76 LEU MD2 1 80 ILE H 4.000 . 5.500 3.363 2.297 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 77 GLN QB 1 78 ARG H 3.000 . 4.000 2.712 2.287 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 77 GLN HA 1 78 ARG H 4.000 . 5.000 3.544 3.489 3.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 77 GLN H 1 78 ARG H 4.000 . 5.000 2.944 2.536 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 77 GLN QG 1 78 ARG H 4.000 . 5.000 4.298 3.895 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 77 GLN HA 1 80 ILE HB 4.000 . 5.000 4.465 2.401 5.077 0.077 22 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 77 GLN HA 1 80 ILE MG 4.000 . 5.500 3.787 2.697 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 78 ARG H 1 79 ILE H 3.000 . 3.500 2.587 2.333 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 78 ARG HA 1 79 ILE H 4.000 . 5.000 3.564 3.507 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 78 ARG QG 1 79 ILE H 3.000 . 3.500 3.239 1.848 3.748 0.248 32 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 78 ARG QB 1 79 ILE H 3.000 . 3.500 2.624 2.059 3.552 0.052 19 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 79 ILE MG 1 80 ILE H 4.000 . 5.500 3.164 2.591 4.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 79 ILE HA 1 80 ILE H 4.000 . 5.000 3.576 3.399 3.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 79 ILE HB 1 80 ILE H 3.000 . 3.500 2.302 2.051 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 79 ILE H 1 80 ILE H 3.000 . 3.500 2.702 2.369 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 79 ILE MG 1 80 ILE HA 4.000 . 5.500 3.471 3.019 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 79 ILE MD 1 80 ILE H 4.000 . 5.500 4.136 3.479 4.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 79 ILE HA 1 80 ILE QG 4.000 . 5.000 5.063 4.059 5.382 0.382 29 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 16 PHE H 1 16 PHE QD 3.000 . 3.500 2.522 1.784 3.467 0.016 13 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 16 PHE H 1 16 PHE QB 2.500 . 2.900 2.884 2.228 3.188 0.288 28 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 16 PHE HA 1 16 PHE QD 3.000 . 3.300 2.737 2.327 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 18 PRO HA 1 18 PRO QD 3.000 . 3.800 3.503 3.286 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 18 PRO HA 1 18 PRO QG 3.000 . 3.300 3.504 3.342 3.534 0.234 12 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 19 GLU H 1 19 GLU QB 2.500 . 2.900 2.782 2.137 2.972 0.072 23 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 19 GLU H 1 19 GLU QG 3.000 . 3.500 1.855 1.734 3.735 0.235 38 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 20 THR H 1 20 THR MG 3.000 . 4.000 3.754 3.727 3.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 20 THR H 1 20 THR HB 2.500 . 2.900 2.604 2.479 2.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 20 THR HA 1 20 THR MG 3.000 . 3.800 2.296 2.240 2.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 21 MET H 1 21 MET QG 4.000 . 5.000 3.810 3.775 3.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 21 MET H 1 21 MET QB 2.500 . 2.900 2.152 2.121 2.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 21 MET HA 1 21 MET ME 3.000 . 3.800 3.762 3.655 3.839 0.039 29 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 21 MET ME 1 21 MET QG 3.000 . 3.800 2.191 2.151 2.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 21 MET H 1 21 MET ME 4.000 . 5.500 4.011 3.853 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 22 LYS QB 1 22 LYS QE 4.000 . 5.000 3.375 2.083 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 22 LYS H 1 22 LYS QB 2.500 . 2.900 2.317 2.060 2.606 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 22 LYS H 1 22 LYS QG 3.000 . 3.500 2.742 1.861 3.991 0.491 16 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 22 LYS H 1 22 LYS QD 3.000 . 3.500 3.263 1.883 3.802 0.302 25 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 23 ALA H 1 23 ALA MB 2.500 . 3.400 2.242 2.196 2.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 24 ARG H 1 24 ARG QB 2.500 . 2.900 2.347 2.040 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 24 ARG H 1 24 ARG QD 4.000 . 5.000 4.147 3.676 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 24 ARG H 1 24 ARG QG 4.000 . 5.000 3.194 1.725 3.962 0.075 1 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 25 ARG H 1 25 ARG QD 4.000 . 5.000 4.238 3.866 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 25 ARG H 1 25 ARG QB 2.500 . 2.900 2.240 2.085 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 25 ARG HA 1 25 ARG QD 4.000 . 5.000 2.637 2.182 3.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 26 ALA H 1 26 ALA MB 2.500 . 3.400 2.250 2.195 2.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 27 TRP HA 1 27 TRP HE3 4.000 . 5.000 2.019 1.956 2.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 27 TRP H 1 27 TRP HD1 4.000 . 5.000 4.364 4.205 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 28 THR H 1 28 THR HB 3.000 . 3.500 2.715 2.447 3.565 0.065 11 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 28 THR H 1 28 THR MG 3.000 . 4.000 3.728 2.716 3.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 28 THR HA 1 28 THR MG 2.500 . 3.200 2.282 2.232 2.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 29 ASP H 1 29 ASP QB 3.000 . 3.500 2.388 2.198 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 30 VAL H 1 30 VAL QG 2.500 . 3.400 1.773 1.740 1.837 0.060 26 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 30 VAL HA 1 30 VAL QG 2.500 . 3.700 2.300 2.198 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 30 VAL H 1 30 VAL HB 3.000 . 3.500 3.609 3.574 3.626 0.126 24 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 31 ILE HA 1 31 ILE MG 3.000 . 3.800 2.805 2.678 2.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 31 ILE H 1 31 ILE MG 3.000 . 4.000 3.584 3.455 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 31 ILE H 1 31 ILE MD 3.000 . 4.000 3.689 3.563 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 31 ILE HB 1 31 ILE MD 3.000 . 3.800 2.296 2.226 2.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 31 ILE H 1 31 ILE HB 3.000 . 3.500 2.158 2.090 2.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 31 ILE HA 1 31 ILE HG12 4.000 . 5.000 2.560 2.448 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 31 ILE HA 1 31 ILE HG13 4.000 . 5.000 2.434 2.317 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 31 ILE H 1 31 ILE HG13 3.000 . 3.500 3.069 2.787 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 31 ILE H 1 31 ILE HG12 4.000 . 5.000 4.208 4.048 4.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 32 GLN H 1 32 GLN QG 3.000 . 3.500 2.487 1.773 3.901 0.401 35 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 32 GLN H 1 32 GLN QB 2.500 . 2.900 2.464 2.070 2.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 33 THR H 1 33 THR HB 4.000 . 6.000 2.601 2.145 2.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 33 THR H 1 33 THR MG 3.000 . 4.000 3.778 3.497 3.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 33 THR HA 1 33 THR MG 3.000 . 3.800 2.322 2.214 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 34 LEU HA 1 34 LEU HG 4.000 . 5.000 3.652 3.613 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 34 LEU H 1 34 LEU HG 4.000 . 5.000 3.940 3.660 4.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 34 LEU HA 1 34 LEU MD1 4.000 . 5.500 2.120 2.050 2.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 34 LEU H 1 34 LEU MD1 4.000 . 5.500 3.782 3.153 4.078 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 35 ARG HA 1 35 ARG QD 4.000 . 5.500 3.962 2.291 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 35 ARG QB 1 35 ARG QD 3.000 . 3.800 2.220 2.110 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 35 ARG H 1 35 ARG QD 4.000 . 5.500 4.191 3.500 4.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 35 ARG H 1 35 ARG QB 3.000 . 3.500 2.306 2.129 2.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 37 HIS HA 1 37 HIS HD2 4.000 . 5.000 4.357 3.769 4.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 38 LYS H 1 38 LYS QE 4.000 . 5.000 4.307 3.621 5.053 0.053 12 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 38 LYS H 1 38 LYS QD 4.000 . 5.000 3.832 1.787 4.909 0.013 23 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 38 LYS H 1 38 LYS QB 3.000 . 3.500 2.815 2.193 3.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 38 LYS HA 1 38 LYS QD 4.000 . 5.000 4.015 2.202 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 38 LYS HA 1 38 LYS QG 3.000 . 3.300 3.006 2.322 3.339 0.039 6 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 38 LYS H 1 38 LYS QG 3.000 . 3.500 2.050 1.729 3.863 0.363 31 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 40 GLN H 1 40 GLN QG 3.000 . 3.500 2.326 1.771 3.512 0.029 40 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 40 GLN H 1 40 GLN QB 3.000 . 3.500 2.465 2.155 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 42 ARG HA 1 42 ARG QD 4.000 . 5.500 3.575 3.320 3.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 42 ARG H 1 42 ARG QB 3.000 . 3.500 3.108 2.746 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 42 ARG H 1 42 ARG QG 3.000 . 4.000 2.918 2.101 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 42 ARG H 1 42 ARG QD 4.000 . 5.500 2.236 1.790 2.791 0.010 17 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 43 LEU H 1 43 LEU MD2 3.000 . 4.000 4.192 4.143 4.252 0.252 2 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 43 LEU H 1 43 LEU MD1 3.000 . 4.000 4.301 4.185 4.425 0.425 16 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 43 LEU H 1 43 LEU QB 2.500 . 2.900 2.283 2.169 2.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 43 LEU QB 1 43 LEU MD1 3.000 . 3.800 2.087 2.068 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 43 LEU HA 1 43 LEU HG 4.000 . 5.000 2.327 2.301 2.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 43 LEU H 1 43 LEU HG 4.000 . 5.000 4.339 4.165 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 43 LEU HA 1 43 LEU MD2 4.000 . 5.500 2.484 2.327 2.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 43 LEU HA 1 43 LEU MD1 4.000 . 5.500 3.720 3.707 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 44 LEU H 1 44 LEU QB 3.000 . 3.500 2.512 2.289 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 44 LEU QB 1 44 LEU MD1 3.000 . 3.800 2.191 2.093 2.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 44 LEU HA 1 44 LEU HG 4.000 . 5.000 3.526 3.218 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 44 LEU H 1 44 LEU HG 4.000 . 5.000 3.274 2.071 4.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 44 LEU QB 1 44 LEU MD2 2.500 . 3.200 2.267 2.197 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 44 LEU H 1 44 LEU MD2 4.000 . 5.500 2.491 1.870 3.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 44 LEU HA 1 44 LEU MD2 4.000 . 5.500 2.469 2.101 3.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 44 LEU HA 1 44 LEU MD1 3.000 . 3.800 2.844 2.067 3.907 0.107 29 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 44 LEU H 1 44 LEU MD1 4.000 . 5.500 3.770 3.298 4.073 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 45 TYR H 1 45 TYR QD 3.000 . 3.500 3.533 3.365 3.642 0.142 9 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 45 TYR H 1 45 TYR QB 3.000 . 3.500 2.252 2.193 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 45 TYR QB 1 45 TYR QE 4.000 . 5.000 3.961 3.956 3.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 45 TYR QB 1 45 TYR HD1 3.000 . 3.300 2.503 2.479 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 45 TYR HA 1 45 TYR QD 3.000 . 3.300 2.717 2.674 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 45 TYR QB 1 45 TYR QD 2.500 . 2.700 2.149 2.144 2.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 45 TYR HA 1 45 TYR QE 4.000 . 5.000 4.380 4.350 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 47 ALA H 1 47 ALA MB 3.000 . 4.000 2.718 2.631 2.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 48 LYS QB 1 48 LYS QE 4.000 . 6.000 2.384 2.076 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 48 LYS H 1 48 LYS QB 3.000 . 4.000 2.413 2.225 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 48 LYS HA 1 48 LYS QD 4.000 . 5.500 3.106 2.253 4.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 48 LYS H 1 48 LYS QG 3.000 . 4.000 3.596 2.995 4.084 0.084 14 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 48 LYS H 1 48 LYS QE 4.000 . 5.500 5.087 4.287 5.829 0.329 16 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 49 LEU H 1 49 LEU HG 4.000 . 5.000 4.751 4.419 5.052 0.052 11 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 49 LEU H 1 49 LEU QD 4.000 . 5.500 3.688 3.531 3.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 49 LEU H 1 49 LEU QB 3.000 . 3.500 2.381 2.266 2.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 49 LEU HA 1 49 LEU HG 4.000 . 5.000 3.487 2.470 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 49 LEU HA 1 49 LEU QD 3.000 . 3.800 2.062 1.998 2.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 50 SER H 1 50 SER QB 3.000 . 3.500 2.494 2.266 3.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 51 ILE H 1 51 ILE HB 3.000 . 3.500 3.805 3.633 3.941 0.441 9 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 51 ILE H 1 51 ILE MD 3.000 . 4.000 2.955 1.686 4.059 0.114 3 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 51 ILE H 1 51 ILE MG 4.000 . 5.500 3.119 2.503 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 51 ILE H 1 51 ILE QG 3.000 . 3.500 2.293 1.789 3.531 0.031 34 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 51 ILE HB 1 51 ILE MD 3.000 . 3.800 2.363 2.161 3.225 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 51 ILE HA 1 51 ILE MD 4.000 . 5.500 3.766 3.394 4.125 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 52 THR H 1 52 THR HB 3.000 . 3.500 2.408 2.314 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 52 THR HA 1 52 THR MG 2.500 . 3.200 2.412 2.344 2.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 52 THR H 1 52 THR MG 3.000 . 4.000 3.760 3.686 3.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 53 ILE H 1 53 ILE HB 3.000 . 3.500 2.712 2.388 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 53 ILE H 1 53 ILE QG 4.000 . 5.000 2.920 2.197 3.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 53 ILE HA 1 53 ILE MG 2.500 . 3.200 2.364 2.260 2.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 53 ILE H 1 53 ILE MG 3.000 . 4.000 3.875 3.753 4.016 0.016 2 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 53 ILE HA 1 53 ILE MD 3.000 . 3.800 3.539 2.112 3.859 0.059 3 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 53 ILE HB 1 53 ILE MD 3.000 . 3.800 2.450 2.228 3.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 53 ILE HA 1 53 ILE QG 3.000 . 3.300 2.142 2.109 2.304 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 53 ILE H 1 53 ILE MD 3.000 . 4.000 4.079 3.672 4.206 0.206 1 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 54 ASP H 1 54 ASP QB 3.000 . 3.500 3.032 2.766 3.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 56 GLU H 1 56 GLU QG 3.000 . 3.500 3.253 2.397 3.933 0.433 14 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 56 GLU H 1 56 GLU QB 2.500 . 2.900 2.170 2.065 2.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 57 THR H 1 57 THR HB 2.500 . 2.900 2.739 2.449 3.166 0.266 28 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 57 THR H 1 57 THR MG 3.000 . 4.000 2.638 1.775 3.829 0.025 13 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 57 THR HA 1 57 THR MG 3.000 . 3.800 2.840 2.250 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 58 LYS H 1 58 LYS QB 3.000 . 3.500 2.599 2.505 2.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 58 LYS HA 1 58 LYS QD 4.000 . 5.000 2.454 2.136 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 58 LYS HA 1 58 LYS QG 3.000 . 3.300 2.413 2.223 2.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 58 LYS H 1 58 LYS QD 4.000 . 5.000 4.585 4.336 5.082 0.082 28 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 59 VAL H 1 59 VAL HB 2.500 . 2.900 2.969 2.860 3.052 0.152 39 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 59 VAL H 1 59 VAL MG2 2.500 . 3.400 2.624 2.490 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 59 VAL H 1 59 VAL MG1 4.000 . 5.500 3.989 3.950 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 59 VAL HA 1 59 VAL MG1 3.000 . 3.800 2.249 2.208 2.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 59 VAL HA 1 59 VAL MG2 3.000 . 3.800 2.496 2.376 2.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 60 PHE H 1 60 PHE QD 4.000 . 5.000 2.693 2.158 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 60 PHE HA 1 60 PHE QD 4.000 . 5.000 2.915 2.582 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 61 HIS HA 1 61 HIS HD2 4.000 . 5.000 4.334 2.406 4.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 63 LYS H 1 63 LYS QB 3.000 . 3.500 2.582 2.255 2.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 63 LYS HA 1 63 LYS QD 4.000 . 5.500 4.221 3.446 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 63 LYS H 1 63 LYS QD 4.000 . 5.500 3.494 1.718 4.158 0.082 38 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 63 LYS H 1 63 LYS QG 4.000 . 5.000 2.023 1.707 3.150 0.093 10 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 64 THR H 1 64 THR MG 3.000 . 4.000 3.772 3.754 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 64 THR H 1 64 THR HB 2.500 . 2.900 2.575 2.445 2.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 64 THR HA 1 64 THR MG 2.500 . 3.200 2.314 2.247 2.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 65 LYS QB 1 65 LYS QE 4.000 . 6.000 3.599 2.336 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 65 LYS H 1 65 LYS QD 3.000 . 4.000 4.031 3.597 4.189 0.189 37 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 65 LYS QB 1 65 LYS QD 3.000 . 4.300 2.133 2.086 2.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 65 LYS HA 1 65 LYS QD 3.000 . 3.800 3.418 2.341 3.935 0.135 12 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 65 LYS H 1 65 LYS QG 3.000 . 4.000 3.892 3.750 4.055 0.055 40 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 65 LYS QE 1 65 LYS QG 3.000 . 4.300 2.269 2.115 2.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 65 LYS HA 1 65 LYS QG 3.000 . 3.800 2.258 2.157 2.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 66 PHE H 1 66 PHE QB 3.000 . 3.500 2.299 2.272 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 66 PHE H 1 66 PHE QD 4.000 . 5.000 4.215 4.166 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 66 PHE HA 1 66 PHE QD 4.000 . 5.000 2.655 2.266 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 66 PHE HA 1 66 PHE QE 4.000 . 5.000 4.492 4.385 4.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 67 THR H 1 67 THR MG 4.000 . 6.500 3.321 1.729 3.792 0.071 24 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 67 THR H 1 67 THR HB 3.000 . 3.500 2.857 2.546 3.585 0.085 32 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 67 THR HA 1 67 THR MG 2.500 . 3.200 2.400 2.261 3.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 68 GLN H 1 68 GLN QB 2.500 . 2.900 2.409 2.289 2.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 68 GLN H 1 68 GLN QG 4.000 . 6.000 2.241 1.816 2.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 69 TYR H 1 69 TYR QB 2.500 . 2.900 2.296 2.254 2.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 69 TYR QB 1 69 TYR QE 4.000 . 5.000 3.969 3.955 3.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 69 TYR QB 1 69 TYR HD2 3.000 . 3.300 2.307 2.277 2.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 69 TYR HA 1 69 TYR QD 3.000 . 3.300 2.447 2.250 3.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 69 TYR H 1 69 TYR HD2 4.000 . 5.000 4.808 4.621 4.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 70 LEU H 1 70 LEU QB 3.000 . 3.500 2.538 2.343 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 70 LEU H 1 70 LEU MD2 3.000 . 4.000 3.133 2.541 3.671 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 70 LEU QB 1 70 LEU MD1 3.000 . 3.800 2.068 2.042 2.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 70 LEU QB 1 70 LEU MD2 3.000 . 3.800 2.305 2.239 2.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 70 LEU H 1 70 LEU HG 3.000 . 3.500 2.241 1.799 2.693 0.001 21 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 70 LEU HA 1 70 LEU MD2 3.000 . 3.800 2.095 2.036 2.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 70 LEU H 1 70 LEU MD1 3.000 . 4.000 3.713 3.459 3.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 71 SER H 1 71 SER QB 2.500 . 2.900 2.332 2.158 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 72 THR H 1 72 THR MG 4.000 . 6.500 2.096 1.989 2.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 72 THR H 1 72 THR HB 4.000 . 5.000 2.912 2.786 3.160 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 72 THR HA 1 72 THR MG 2.500 . 3.200 3.215 3.199 3.227 0.027 10 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 73 ASN H 1 73 ASN QB 3.000 . 3.500 2.646 2.488 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 74 PRO HA 1 74 PRO QD 4.000 . 5.000 3.333 3.201 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 75 ALA H 1 75 ALA MB 2.500 . 3.400 2.249 2.202 2.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 76 LEU H 1 76 LEU QB 2.500 . 2.900 2.213 2.086 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 76 LEU H 1 76 LEU MD2 3.000 . 4.000 3.893 3.052 4.248 0.248 14 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 76 LEU H 1 76 LEU HG 3.000 . 3.500 2.909 2.157 3.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 76 LEU QB 1 76 LEU MD2 2.500 . 3.200 2.263 2.167 2.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 76 LEU HA 1 76 LEU HG . . 2.700 2.746 2.377 3.165 0.465 30 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 76 LEU QB 1 76 LEU MD1 2.500 . 3.200 2.083 2.064 2.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 76 LEU H 1 76 LEU MD1 4.000 . 5.500 3.795 3.535 4.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 76 LEU HA 1 76 LEU MD1 3.000 . 3.800 3.767 3.733 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 76 LEU HA 1 76 LEU MD2 2.500 . 3.200 2.108 2.038 2.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 77 GLN H 1 77 GLN QG 3.000 . 3.500 3.025 1.891 3.770 0.270 26 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 78 ARG H 1 78 ARG QB 2.500 . 2.900 2.421 2.080 2.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 78 ARG H 1 78 ARG QG 3.000 . 3.500 2.915 1.781 3.941 0.441 34 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 78 ARG QB 1 78 ARG QD 3.000 . 3.300 2.270 2.106 2.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 78 ARG HA 1 78 ARG QD 4.000 . 5.000 4.114 3.858 4.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 78 ARG HA 1 78 ARG HG3 3.000 . 3.300 2.959 2.356 3.648 0.348 19 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 79 ILE H 1 79 ILE MD 4.000 . 5.500 3.280 1.786 3.748 0.014 9 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 79 ILE H 1 79 ILE MG 4.000 . 5.500 3.786 3.707 3.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 79 ILE H 1 79 ILE HB 3.000 . 3.500 2.525 2.281 2.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 79 ILE H 1 79 ILE QG 4.000 . 5.000 2.294 1.872 3.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 79 ILE HA 1 79 ILE MG 3.000 . 3.800 2.342 2.255 2.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 79 ILE HB 1 79 ILE MD 3.000 . 3.800 2.306 2.233 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 79 ILE HA 1 79 ILE MD 4.000 . 5.500 3.713 2.275 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 80 ILE H 1 80 ILE HB 3.000 . 3.500 3.189 2.202 3.632 0.132 27 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 80 ILE H 1 80 ILE QG 4.000 . 6.000 2.499 1.865 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 80 ILE H 1 80 ILE MG 3.000 . 4.000 2.528 1.772 3.906 0.028 16 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 80 ILE HA 1 80 ILE MG 2.500 . 3.200 2.463 2.290 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 80 ILE HB 1 80 ILE MD 3.000 . 3.800 2.302 2.185 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 80 ILE H 1 80 ILE MD 3.000 . 4.000 3.789 2.321 4.275 0.275 3 0 "[ . 1 . 2 . 3 . 4]" 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 61
_Distance_constraint_stats_list.Viol_count 664
_Distance_constraint_stats_list.Viol_total 2219.673
_Distance_constraint_stats_list.Viol_max 0.366
_Distance_constraint_stats_list.Viol_rms 0.0524
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0227
_Distance_constraint_stats_list.Viol_average_violations_only 0.0836
_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 19 GLU 4.032 0.156 13 0 "[ . 1 . 2 . 3 . 4]"
1 20 THR 0.027 0.020 34 0 "[ . 1 . 2 . 3 . 4]"
1 21 MET 5.057 0.214 21 0 "[ . 1 . 2 . 3 . 4]"
1 22 LYS 1.690 0.118 4 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 4.090 0.156 13 0 "[ . 1 . 2 . 3 . 4]"
1 24 ARG 1.317 0.149 10 0 "[ . 1 . 2 . 3 . 4]"
1 25 ARG 5.217 0.214 21 0 "[ . 1 . 2 . 3 . 4]"
1 26 ALA 3.745 0.120 29 0 "[ . 1 . 2 . 3 . 4]"
1 27 TRP 0.367 0.071 2 0 "[ . 1 . 2 . 3 . 4]"
1 28 THR 1.937 0.149 10 0 "[ . 1 . 2 . 3 . 4]"
1 29 ASP 3.170 0.176 29 0 "[ . 1 . 2 . 3 . 4]"
1 30 VAL 2.056 0.120 29 0 "[ . 1 . 2 . 3 . 4]"
1 31 ILE 0.309 0.071 2 0 "[ . 1 . 2 . 3 . 4]"
1 32 GLN 0.647 0.095 29 0 "[ . 1 . 2 . 3 . 4]"
1 33 THR 3.010 0.176 29 0 "[ . 1 . 2 . 3 . 4]"
1 34 LEU 0.373 0.114 12 0 "[ . 1 . 2 . 3 . 4]"
1 37 HIS 0.373 0.114 12 0 "[ . 1 . 2 . 3 . 4]"
1 42 ARG 1.514 0.162 4 0 "[ . 1 . 2 . 3 . 4]"
1 44 LEU 17.954 0.320 1 0 "[ . 1 . 2 . 3 . 4]"
1 45 TYR 2.156 0.203 21 0 "[ . 1 . 2 . 3 . 4]"
1 48 LYS 20.111 0.320 1 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 50 SER 1.514 0.162 4 0 "[ . 1 . 2 . 3 . 4]"
1 51 ILE 1.161 0.095 37 0 "[ . 1 . 2 . 3 . 4]"
1 53 ILE 0.690 0.051 18 0 "[ . 1 . 2 . 3 . 4]"
1 55 GLY 0.690 0.051 18 0 "[ . 1 . 2 . 3 . 4]"
1 58 LYS 1.161 0.095 37 0 "[ . 1 . 2 . 3 . 4]"
1 60 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 63 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 THR 0.950 0.101 25 0 "[ . 1 . 2 . 3 . 4]"
1 65 LYS 0.271 0.063 2 0 "[ . 1 . 2 . 3 . 4]"
1 66 PHE 0.115 0.052 23 0 "[ . 1 . 2 . 3 . 4]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 68 GLN 1.097 0.101 25 0 "[ . 1 . 2 . 3 . 4]"
1 69 TYR 0.271 0.063 2 0 "[ . 1 . 2 . 3 . 4]"
1 70 LEU 4.103 0.366 6 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 0.147 0.042 11 0 "[ . 1 . 2 . 3 . 4]"
1 74 PRO 4.108 0.366 6 0 "[ . 1 . 2 . 3 . 4]"
1 75 ALA 5.695 0.178 29 0 "[ . 1 . 2 . 3 . 4]"
1 76 LEU 2.022 0.151 20 0 "[ . 1 . 2 . 3 . 4]"
1 78 ARG 0.120 0.090 8 0 "[ . 1 . 2 . 3 . 4]"
1 79 ILE 5.695 0.178 29 0 "[ . 1 . 2 . 3 . 4]"
1 80 ILE 2.022 0.151 20 0 "[ . 1 . 2 . 3 . 4]"
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 34 LEU O 1 37 HIS H 2.300 . 2.500 2.058 1.686 2.586 0.114 12 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 34 LEU O 1 37 HIS N 3.300 2.500 3.500 2.982 2.510 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 45 TYR O 1 48 LYS H 2.300 . 2.500 1.792 1.597 2.112 0.203 21 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 45 TYR O 1 48 LYS N 3.300 2.500 3.500 2.659 2.542 2.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 53 ILE O 1 55 GLY H 2.300 . 2.500 2.504 2.413 2.551 0.051 18 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 53 ILE O 1 55 GLY N 3.300 2.500 3.500 2.548 2.489 2.605 0.011 8 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 76 LEU O 1 80 ILE H 2.300 . 2.500 1.813 1.649 2.133 0.151 20 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 76 LEU O 1 80 ILE N 3.300 2.500 3.500 2.599 2.402 2.875 0.098 27 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 19 GLU O 1 23 ALA H 2.300 . 2.500 2.584 2.468 2.656 0.156 13 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 19 GLU O 1 23 ALA N 3.300 2.500 3.500 3.493 3.375 3.571 0.071 13 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 20 THR O 1 24 ARG H 2.300 . 2.500 2.188 1.956 2.520 0.020 34 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 20 THR O 1 24 ARG N 3.300 2.500 3.500 3.096 2.837 3.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 21 MET O 1 25 ARG H 2.300 . 2.500 1.686 1.586 1.800 0.214 21 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 21 MET O 1 25 ARG N 3.300 2.500 3.500 2.535 2.423 2.675 0.077 23 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 22 LYS O 1 26 ALA H 2.300 . 2.500 1.778 1.682 1.978 0.118 4 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 22 LYS O 1 26 ALA N 3.300 2.500 3.500 2.743 2.643 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 23 ALA O 1 27 TRP H 2.300 . 2.500 2.182 1.750 2.505 0.050 19 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 23 ALA O 1 27 TRP N 3.300 2.500 3.500 2.979 2.600 3.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 24 ARG O 1 28 THR H 2.300 . 2.500 2.411 1.907 2.649 0.149 10 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 24 ARG O 1 28 THR N 3.300 2.500 3.500 2.991 2.488 3.379 0.012 7 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 25 ARG O 1 29 ASP H 2.300 . 2.500 2.260 1.966 2.567 0.067 1 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 25 ARG O 1 29 ASP N 3.300 2.500 3.500 3.181 2.898 3.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 26 ALA O 1 30 VAL H 2.300 . 2.500 2.495 2.077 2.620 0.120 29 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 26 ALA O 1 30 VAL N 3.300 2.500 3.500 3.442 3.019 3.556 0.056 29 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 27 TRP O 1 31 ILE H 2.300 . 2.500 2.285 1.729 2.534 0.071 2 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 27 TRP O 1 31 ILE N 3.300 2.500 3.500 3.042 2.520 3.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 28 THR O 1 32 GLN H 2.300 . 2.500 2.454 2.168 2.595 0.095 29 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 28 THR O 1 32 GLN N 3.300 2.500 3.500 3.346 3.002 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 29 ASP O 1 33 THR H 2.300 . 2.500 2.558 2.353 2.676 0.176 29 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 29 ASP O 1 33 THR N 3.300 2.500 3.500 3.417 3.194 3.551 0.051 29 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 44 LEU N 1 48 LYS O 3.300 2.300 3.500 2.597 2.353 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 44 LEU H 1 48 LYS O 2.300 . 2.500 1.693 1.500 2.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 44 LEU O 1 48 LYS N 3.300 2.300 3.500 3.695 3.651 3.747 0.247 11 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 44 LEU O 1 48 LYS H 2.300 . 2.500 2.754 2.690 2.820 0.320 1 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 42 ARG N 1 50 SER O 3.300 2.300 3.500 3.367 2.949 3.594 0.094 17 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 42 ARG H 1 50 SER O 2.300 . 2.500 2.464 2.109 2.662 0.162 4 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 42 ARG O 1 50 SER N 3.300 2.300 3.500 3.141 2.735 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 42 ARG O 1 50 SER H 2.300 . 2.500 2.177 1.765 2.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 49 LEU O 1 60 PHE N 3.300 2.300 3.500 3.123 2.945 3.360 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 49 LEU O 1 60 PHE H 2.300 . 2.500 2.228 2.000 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 49 LEU N 1 60 PHE O 3.300 2.300 3.500 3.153 2.985 3.357 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 49 LEU H 1 60 PHE O 2.300 . 2.500 2.194 2.007 2.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 51 ILE O 1 58 LYS N 3.300 2.300 3.500 3.388 3.071 3.556 0.056 23 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 51 ILE O 1 58 LYS H 2.300 . 2.500 2.440 2.134 2.595 0.095 37 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 51 ILE N 1 58 LYS O 3.300 2.300 3.500 3.135 2.936 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 51 ILE H 1 58 LYS O 2.300 . 2.500 2.204 2.020 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 63 LYS O 1 67 THR H 2.300 . 2.500 2.133 1.809 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 63 LYS O 1 67 THR N 3.300 2.500 3.500 3.099 2.764 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 64 THR O 1 68 GLN H 2.300 . 2.500 1.825 1.699 2.041 0.101 25 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 64 THR O 1 68 GLN N 3.300 2.500 3.500 2.788 2.644 3.012 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 65 LYS O 1 69 TYR H 2.300 . 2.500 2.007 1.737 2.370 0.063 2 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 65 LYS O 1 69 TYR N 3.300 2.500 3.500 2.926 2.619 3.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 66 PHE O 1 70 LEU H 2.300 . 2.500 2.334 2.100 2.552 0.052 23 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 66 PHE O 1 70 LEU N 3.300 2.500 3.500 3.215 2.942 3.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 68 GLN O 1 72 THR H 2.300 . 2.500 2.253 2.067 2.542 0.042 11 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 68 GLN O 1 72 THR N 3.300 2.500 3.500 3.006 2.893 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 70 LEU O 1 74 PRO N 3.300 2.500 3.500 3.586 3.312 3.866 0.366 6 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 74 PRO O 1 78 ARG H 2.300 . 2.500 2.168 1.710 2.514 0.090 8 0 "[ . 1 . 2 . 3 . 4]" 2
59 1 74 PRO O 1 78 ARG N 3.300 2.500 3.500 3.035 2.511 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
60 1 75 ALA O 1 79 ILE H 2.300 . 2.500 2.601 2.514 2.678 0.178 29 0 "[ . 1 . 2 . 3 . 4]" 2
61 1 75 ALA O 1 79 ILE N 3.300 2.500 3.500 3.530 3.400 3.638 0.138 30 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
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