NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
398782 |
1tof   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tof
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 1137
_Distance_constraint_stats_list.Viol_count 1408
_Distance_constraint_stats_list.Viol_total 2852.211
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0366
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0881
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 SER 0.495 0.265 7 0 "[ . 1 . 2 ]"
1 4 VAL 2.154 0.295 8 0 "[ . 1 . 2 ]"
1 5 ILE 1.022 0.124 17 0 "[ . 1 . 2 ]"
1 6 VAL 1.253 0.299 7 0 "[ . 1 . 2 ]"
1 7 ILE 1.042 0.356 17 0 "[ . 1 . 2 ]"
1 8 ASP 1.413 0.356 17 0 "[ . 1 . 2 ]"
1 9 SER 2.669 0.687 4 2 "[ +- 1 . 2 ]"
1 10 LYS 9.905 0.870 17 6 "[ ** * 1* . +- 2 ]"
1 11 ALA 3.459 0.518 18 1 "[ . 1 . + 2 ]"
1 12 ALA 0.044 0.044 19 0 "[ . 1 . 2 ]"
1 13 TRP 4.162 0.438 20 0 "[ . 1 . 2 ]"
1 14 ASP 3.763 0.569 17 1 "[ . 1 . + 2 ]"
1 15 ALA 4.110 0.195 11 0 "[ . 1 . 2 ]"
1 16 GLN 2.472 0.265 7 0 "[ . 1 . 2 ]"
1 17 LEU 2.589 0.993 18 2 "[ . 1 . -+ 2 ]"
1 18 ALA 0.606 0.126 5 0 "[ . 1 . 2 ]"
1 19 LYS 1.091 0.087 23 0 "[ . 1 . 2 ]"
1 20 GLY 0.290 0.076 12 0 "[ . 1 . 2 ]"
1 21 LYS 1.770 0.694 21 2 "[ . 1 . - 2+ ]"
1 22 GLU 4.067 0.694 21 2 "[ . 1 . - 2+ ]"
1 23 GLU 3.292 0.812 3 1 "[ + . 1 . 2 ]"
1 24 HIS 3.659 0.812 3 1 "[ + . 1 . 2 ]"
1 25 LYS 4.493 0.853 23 3 "[ - . 1 . * +]"
1 26 PRO 8.117 0.853 23 5 "[ * .*- 1 . * +]"
1 27 ILE 4.950 0.924 11 2 "[ . - 1+ . 2 ]"
1 28 VAL 6.620 0.924 11 3 "[ .*- 1+ . 2 ]"
1 29 VAL 0.793 0.277 11 0 "[ . 1 . 2 ]"
1 30 ASP 0.108 0.066 22 0 "[ . 1 . 2 ]"
1 31 PHE 2.178 0.481 18 0 "[ . 1 . 2 ]"
1 32 THR 0.372 0.063 8 0 "[ . 1 . 2 ]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 THR 0.188 0.055 22 0 "[ . 1 . 2 ]"
1 35 TRP 1.892 0.162 22 0 "[ . 1 . 2 ]"
1 36 CYS 0.711 0.162 22 0 "[ . 1 . 2 ]"
1 37 GLY 0.176 0.069 10 0 "[ . 1 . 2 ]"
1 38 PRO 1.166 0.083 17 0 "[ . 1 . 2 ]"
1 39 CYS 1.198 0.083 17 0 "[ . 1 . 2 ]"
1 40 LYS 0.804 0.074 8 0 "[ . 1 . 2 ]"
1 41 MET 4.695 0.576 20 1 "[ . 1 . + ]"
1 42 ILE 2.786 0.576 20 1 "[ . 1 . + ]"
1 43 ALA 0.797 0.085 5 0 "[ . 1 . 2 ]"
1 44 PRO 1.854 0.082 17 0 "[ . 1 . 2 ]"
1 45 LEU 3.077 0.153 19 0 "[ . 1 . 2 ]"
1 46 PHE 0.565 0.073 19 0 "[ . 1 . 2 ]"
1 47 GLU 0.304 0.199 13 0 "[ . 1 . 2 ]"
1 48 THR 0.120 0.120 22 0 "[ . 1 . 2 ]"
1 49 LEU 1.409 0.446 8 0 "[ . 1 . 2 ]"
1 50 SER 2.329 0.688 17 1 "[ . 1 . + 2 ]"
1 51 ASN 1.225 0.688 17 1 "[ . 1 . + 2 ]"
1 52 ASP 0.138 0.077 2 0 "[ . 1 . 2 ]"
1 53 TYR 0.131 0.050 21 0 "[ . 1 . 2 ]"
1 54 ALA 0.911 0.116 19 0 "[ . 1 . 2 ]"
1 55 GLY 1.438 0.480 1 0 "[ . 1 . 2 ]"
1 56 LYS 0.754 0.219 15 0 "[ . 1 . 2 ]"
1 57 VAL 2.655 0.480 1 0 "[ . 1 . 2 ]"
1 58 ILE 1.878 0.130 21 0 "[ . 1 . 2 ]"
1 59 PHE 1.263 0.197 8 0 "[ . 1 . 2 ]"
1 60 LEU 0.551 0.197 8 0 "[ . 1 . 2 ]"
1 61 LYS 1.391 0.299 7 0 "[ . 1 . 2 ]"
1 62 VAL 0.942 0.117 17 0 "[ . 1 . 2 ]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 ASP 1.284 0.133 6 0 "[ . 1 . 2 ]"
1 66 ALA 0.046 0.030 16 0 "[ . 1 . 2 ]"
1 67 VAL 0.208 0.081 23 0 "[ . 1 . 2 ]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 69 ALA 0.001 0.001 23 0 "[ . 1 . 2 ]"
1 70 VAL 1.546 0.481 18 0 "[ . 1 . 2 ]"
1 71 ALA 0.134 0.032 18 0 "[ . 1 . 2 ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 73 ALA 0.001 0.001 23 0 "[ . 1 . 2 ]"
1 74 ALA 5.249 0.265 23 0 "[ . 1 . 2 ]"
1 75 GLY 4.870 0.265 23 0 "[ . 1 . 2 ]"
1 76 ILE 3.930 0.830 16 1 "[ . 1 .+ 2 ]"
1 77 THR 3.810 0.830 16 1 "[ . 1 .+ 2 ]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 MET 0.280 0.060 11 0 "[ . 1 . 2 ]"
1 80 PRO 2.341 0.520 15 1 "[ . 1 + 2 ]"
1 81 THR 0.819 0.138 23 0 "[ . 1 . 2 ]"
1 82 PHE 3.745 0.589 6 2 "[ .+ 1 - 2 ]"
1 83 HIS 6.142 0.446 10 0 "[ . 1 . 2 ]"
1 84 VAL 2.721 0.453 11 0 "[ . 1 . 2 ]"
1 85 TYR 2.984 0.993 18 2 "[ . - 1 . + 2 ]"
1 86 LYS 0.003 0.003 2 0 "[ . 1 . 2 ]"
1 87 ASP 2.108 0.630 16 1 "[ . 1 .+ 2 ]"
1 88 GLY 1.481 0.140 4 0 "[ . 1 . 2 ]"
1 89 VAL 2.770 0.630 16 2 "[ - 1 .+ 2 ]"
1 90 LYS 2.099 0.446 10 0 "[ . 1 . 2 ]"
1 91 ALA 2.435 0.505 5 1 "[ + 1 . 2 ]"
1 92 ASP 1.253 0.065 9 0 "[ . 1 . 2 ]"
1 93 ASP 12.426 0.678 14 6 "[ .- * 1* +* * 2 ]"
1 94 LEU 5.965 0.678 14 6 "[ .- * 1* +* * 2 ]"
1 95 VAL 1.857 0.276 18 0 "[ . 1 . 2 ]"
1 96 GLY 0.332 0.276 18 0 "[ . 1 . 2 ]"
1 97 ALA 0.478 0.046 18 0 "[ . 1 . 2 ]"
1 98 SER 0.347 0.094 12 0 "[ . 1 . 2 ]"
1 99 GLN 0.977 0.339 14 0 "[ . 1 . 2 ]"
1 100 ASP 0.992 0.339 14 0 "[ . 1 . 2 ]"
1 101 LYS 0.428 0.116 8 0 "[ . 1 . 2 ]"
1 102 LEU 7.145 0.484 14 0 "[ . 1 . 2 ]"
1 103 LYS 4.842 0.484 14 0 "[ . 1 . 2 ]"
1 104 ALA 0.349 0.089 15 0 "[ . 1 . 2 ]"
1 105 LEU 3.574 0.443 1 0 "[ . 1 . 2 ]"
1 106 VAL 2.692 0.446 8 0 "[ . 1 . 2 ]"
1 107 ALA 1.699 0.178 23 0 "[ . 1 . 2 ]"
1 108 LYS 8.281 0.986 6 5 "[ *+ * - *. 2 ]"
1 109 HIS 6.433 0.986 6 2 "[ .+ 1 - . 2 ]"
1 110 ALA 0.025 0.025 9 0 "[ . 1 . 2 ]"
1 111 ALA 0.973 0.099 11 0 "[ . 1 . 2 ]"
1 112 ALA 0.715 0.099 11 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 SER HA 1 4 VAL H 3.500 . 3.500 2.588 2.242 3.537 0.037 11 0 "[ . 1 . 2 ]" 1
2 1 4 VAL HA 1 5 ILE H 2.900 . 2.900 2.578 2.042 2.937 0.037 10 0 "[ . 1 . 2 ]" 1
3 1 5 ILE HA 1 6 VAL H 2.900 . 2.900 2.325 2.008 2.700 . 0 0 "[ . 1 . 2 ]" 1
4 1 6 VAL HA 1 7 ILE H 2.900 . 2.900 2.447 2.155 3.018 0.118 23 0 "[ . 1 . 2 ]" 1
5 1 7 ILE HA 1 8 ASP H 2.900 . 2.900 2.371 2.061 3.256 0.356 17 0 "[ . 1 . 2 ]" 1
6 1 8 ASP HA 1 9 SER H 3.500 . 3.500 3.049 2.163 3.554 0.054 8 0 "[ . 1 . 2 ]" 1
7 1 9 SER HA 1 10 LYS H 5.000 . 5.000 2.247 2.055 3.126 . 0 0 "[ . 1 . 2 ]" 1
8 1 10 LYS HA 1 11 ALA H 5.000 . 5.000 3.535 3.460 3.614 . 0 0 "[ . 1 . 2 ]" 1
9 1 12 ALA HA 1 13 TRP H 5.000 . 5.000 3.558 3.265 3.610 . 0 0 "[ . 1 . 2 ]" 1
10 1 13 TRP HA 1 14 ASP H 5.000 . 5.000 3.590 3.549 3.636 . 0 0 "[ . 1 . 2 ]" 1
11 1 14 ASP HA 1 15 ALA H 3.500 . 3.500 3.542 3.502 3.571 0.071 18 0 "[ . 1 . 2 ]" 1
12 1 15 ALA HA 1 16 GLN H 3.500 . 3.500 3.565 3.526 3.593 0.093 5 0 "[ . 1 . 2 ]" 1
13 1 16 GLN HA 1 17 LEU H 5.000 . 5.000 3.603 3.553 3.673 . 0 0 "[ . 1 . 2 ]" 1
14 1 17 LEU HA 1 18 ALA H 5.000 . 5.000 3.561 3.402 3.624 . 0 0 "[ . 1 . 2 ]" 1
15 1 18 ALA HA 1 19 LYS H 5.000 . 5.000 3.648 3.616 3.669 . 0 0 "[ . 1 . 2 ]" 1
16 1 19 LYS HA 1 20 GLY H 5.000 . 5.000 3.511 3.430 3.575 . 0 0 "[ . 1 . 2 ]" 1
17 1 20 GLY QA 1 21 LYS H 6.000 . 6.000 2.887 2.491 2.970 . 0 0 "[ . 1 . 2 ]" 1
18 1 21 LYS HA 1 22 GLU H 5.000 . 5.000 2.383 2.170 2.678 . 0 0 "[ . 1 . 2 ]" 1
19 1 22 GLU HA 1 23 GLU H 5.000 . 5.000 2.787 2.369 3.490 . 0 0 "[ . 1 . 2 ]" 1
20 1 23 GLU HA 1 24 HIS H 5.000 . 5.000 3.498 2.014 3.611 . 0 0 "[ . 1 . 2 ]" 1
21 1 24 HIS HA 1 25 LYS H 2.900 . 2.900 2.719 2.244 3.212 0.312 11 0 "[ . 1 . 2 ]" 1
22 1 25 LYS HA 1 26 PRO HD3 2.700 . 2.700 2.467 2.239 2.718 0.018 11 0 "[ . 1 . 2 ]" 1
23 1 25 LYS HA 1 26 PRO HD2 2.700 . 2.700 2.278 2.133 2.527 . 0 0 "[ . 1 . 2 ]" 1
24 1 26 PRO HA 1 27 ILE H 2.900 . 2.900 2.176 2.060 2.331 . 0 0 "[ . 1 . 2 ]" 1
25 1 27 ILE HA 1 28 VAL H 2.900 . 2.900 2.186 2.059 2.277 . 0 0 "[ . 1 . 2 ]" 1
26 1 28 VAL HA 1 29 VAL H 2.900 . 2.900 2.196 2.103 2.305 . 0 0 "[ . 1 . 2 ]" 1
27 1 29 VAL HA 1 30 ASP H 2.900 . 2.900 2.115 2.004 2.233 . 0 0 "[ . 1 . 2 ]" 1
28 1 30 ASP HA 1 31 PHE H 2.900 . 2.900 2.237 2.173 2.306 . 0 0 "[ . 1 . 2 ]" 1
29 1 31 PHE HA 1 32 THR H 2.900 . 2.900 2.241 2.170 2.315 . 0 0 "[ . 1 . 2 ]" 1
30 1 33 ALA HA 1 34 THR H 3.500 . 3.500 2.358 2.130 3.190 . 0 0 "[ . 1 . 2 ]" 1
31 1 34 THR HA 1 35 TRP H 5.000 . 5.000 3.524 3.449 3.570 . 0 0 "[ . 1 . 2 ]" 1
32 1 35 TRP HA 1 36 CYS H 5.000 . 5.000 3.328 2.207 3.626 . 0 0 "[ . 1 . 2 ]" 1
33 1 36 CYS HA 1 37 GLY H 3.500 . 3.500 2.746 2.204 3.569 0.069 10 0 "[ . 1 . 2 ]" 1
34 1 37 GLY HA3 1 38 PRO QD 4.300 . 4.300 2.214 2.072 2.502 . 0 0 "[ . 1 . 2 ]" 1
35 1 37 GLY HA2 1 38 PRO QD 4.300 . 4.300 3.453 2.681 3.619 . 0 0 "[ . 1 . 2 ]" 1
36 1 38 PRO HA 1 39 CYS H 3.500 . 3.500 3.550 3.517 3.583 0.083 17 0 "[ . 1 . 2 ]" 1
37 1 39 CYS HA 1 40 LYS H 5.000 . 5.000 3.558 3.508 3.588 . 0 0 "[ . 1 . 2 ]" 1
38 1 40 LYS HA 1 41 MET H 3.500 . 3.500 3.530 3.454 3.574 0.074 8 0 "[ . 1 . 2 ]" 1
39 1 41 MET HA 1 42 ILE H 3.500 . 3.500 3.493 3.394 3.544 0.044 8 0 "[ . 1 . 2 ]" 1
40 1 43 ALA HA 1 44 PRO HD3 5.000 . 5.000 4.390 4.123 4.498 . 0 0 "[ . 1 . 2 ]" 1
41 1 43 ALA HA 1 44 PRO HD2 5.000 . 5.000 3.956 3.903 4.101 . 0 0 "[ . 1 . 2 ]" 1
42 1 44 PRO HA 1 45 LEU H 3.500 . 3.500 3.564 3.543 3.582 0.082 17 0 "[ . 1 . 2 ]" 1
43 1 45 LEU HA 1 46 PHE H 5.000 . 5.000 3.571 3.543 3.610 . 0 0 "[ . 1 . 2 ]" 1
44 1 46 PHE HA 1 47 GLU H 5.000 . 5.000 3.593 3.559 3.632 . 0 0 "[ . 1 . 2 ]" 1
45 1 47 GLU HA 1 48 THR H 5.000 . 5.000 3.591 3.568 3.671 . 0 0 "[ . 1 . 2 ]" 1
46 1 48 THR HA 1 49 LEU H 5.000 . 5.000 3.615 3.585 3.636 . 0 0 "[ . 1 . 2 ]" 1
47 1 49 LEU HA 1 50 SER H 5.000 . 5.000 3.553 3.500 3.608 . 0 0 "[ . 1 . 2 ]" 1
48 1 50 SER HA 1 51 ASN H 5.000 . 5.000 3.567 3.521 3.592 . 0 0 "[ . 1 . 2 ]" 1
49 1 51 ASN HA 1 52 ASP H 5.000 . 5.000 3.580 3.475 3.602 . 0 0 "[ . 1 . 2 ]" 1
50 1 52 ASP HA 1 53 TYR H 5.000 . 5.000 3.613 3.573 3.669 . 0 0 "[ . 1 . 2 ]" 1
51 1 53 TYR HA 1 54 ALA H 5.000 . 5.000 3.137 2.426 3.592 . 0 0 "[ . 1 . 2 ]" 1
52 1 54 ALA HA 1 55 GLY H 3.500 . 3.500 2.883 2.199 3.560 0.060 21 0 "[ . 1 . 2 ]" 1
53 1 55 GLY HA3 1 56 LYS H 5.000 . 5.000 2.481 2.166 3.214 . 0 0 "[ . 1 . 2 ]" 1
54 1 55 GLY HA2 1 56 LYS H 5.000 . 5.000 3.406 2.675 3.619 . 0 0 "[ . 1 . 2 ]" 1
55 1 56 LYS HA 1 57 VAL H 5.000 . 5.000 3.222 2.440 3.642 . 0 0 "[ . 1 . 2 ]" 1
56 1 57 VAL HA 1 58 ILE H 2.900 . 2.900 2.282 2.141 2.442 . 0 0 "[ . 1 . 2 ]" 1
57 1 58 ILE HA 1 59 PHE H 2.900 . 2.900 2.218 2.124 2.290 . 0 0 "[ . 1 . 2 ]" 1
58 1 59 PHE HA 1 60 LEU H 2.900 . 2.900 2.152 2.023 2.286 . 0 0 "[ . 1 . 2 ]" 1
59 1 60 LEU HA 1 61 LYS H 2.900 . 2.900 2.238 2.090 2.375 . 0 0 "[ . 1 . 2 ]" 1
60 1 61 LYS HA 1 62 VAL H 2.900 . 2.900 2.227 2.142 2.336 . 0 0 "[ . 1 . 2 ]" 1
61 1 62 VAL HA 1 63 ASP H 2.900 . 2.900 2.165 2.072 2.409 . 0 0 "[ . 1 . 2 ]" 1
62 1 63 ASP HA 1 64 VAL H 2.900 . 2.900 2.187 2.104 2.258 . 0 0 "[ . 1 . 2 ]" 1
63 1 64 VAL HA 1 65 ASP H 5.000 . 5.000 3.504 2.311 3.597 . 0 0 "[ . 1 . 2 ]" 1
64 1 65 ASP HA 1 66 ALA H 5.000 . 5.000 3.566 3.501 3.628 . 0 0 "[ . 1 . 2 ]" 1
65 1 67 VAL HA 1 68 ALA H 2.900 . 2.900 2.538 2.431 2.851 . 0 0 "[ . 1 . 2 ]" 1
66 1 68 ALA HA 1 69 ALA H 5.000 . 5.000 3.572 3.531 3.615 . 0 0 "[ . 1 . 2 ]" 1
67 1 69 ALA HA 1 70 VAL H 5.000 . 5.000 3.609 3.570 3.641 . 0 0 "[ . 1 . 2 ]" 1
68 1 70 VAL HA 1 71 ALA H 5.000 . 5.000 3.577 3.558 3.618 . 0 0 "[ . 1 . 2 ]" 1
69 1 71 ALA HA 1 72 GLU H 5.000 . 5.000 3.635 3.581 3.674 . 0 0 "[ . 1 . 2 ]" 1
70 1 73 ALA HA 1 74 ALA H 5.000 . 5.000 3.577 3.554 3.595 . 0 0 "[ . 1 . 2 ]" 1
71 1 74 ALA HA 1 75 GLY H 3.500 . 3.500 3.454 3.297 3.563 0.063 7 0 "[ . 1 . 2 ]" 1
72 1 75 GLY HA3 1 76 ILE H 5.000 . 5.000 3.587 3.507 3.623 . 0 0 "[ . 1 . 2 ]" 1
73 1 75 GLY HA2 1 76 ILE H 5.000 . 5.000 2.789 2.295 3.012 . 0 0 "[ . 1 . 2 ]" 1
74 1 76 ILE HA 1 77 THR H 2.900 . 2.900 2.191 2.065 2.316 . 0 0 "[ . 1 . 2 ]" 1
75 1 77 THR HA 1 78 ALA H 5.000 . 5.000 3.522 3.410 3.607 . 0 0 "[ . 1 . 2 ]" 1
76 1 78 ALA HA 1 79 MET H 5.000 . 5.000 2.431 2.211 2.610 . 0 0 "[ . 1 . 2 ]" 1
77 1 79 MET HA 1 80 PRO HA 3.300 . 3.300 2.517 2.216 2.938 . 0 0 "[ . 1 . 2 ]" 1
78 1 80 PRO HA 1 81 THR H 3.500 . 3.500 2.263 2.169 2.452 . 0 0 "[ . 1 . 2 ]" 1
79 1 81 THR HA 1 82 PHE H 2.900 . 2.900 2.150 2.078 2.216 . 0 0 "[ . 1 . 2 ]" 1
80 1 82 PHE HA 1 83 HIS H 2.900 . 2.900 2.224 2.163 2.296 . 0 0 "[ . 1 . 2 ]" 1
81 1 83 HIS HA 1 84 VAL H 2.900 . 2.900 2.270 2.102 2.354 . 0 0 "[ . 1 . 2 ]" 1
82 1 84 VAL HA 1 85 TYR H 2.900 . 2.900 2.217 2.058 2.313 . 0 0 "[ . 1 . 2 ]" 1
83 1 85 TYR HA 1 86 LYS H 2.900 . 2.900 2.322 2.126 2.707 . 0 0 "[ . 1 . 2 ]" 1
84 1 86 LYS HA 1 87 ASP H 5.000 . 5.000 2.379 2.106 3.578 . 0 0 "[ . 1 . 2 ]" 1
85 1 87 ASP HA 1 88 GLY H 3.500 . 3.500 3.476 3.409 3.523 0.023 17 0 "[ . 1 . 2 ]" 1
86 1 88 GLY HA3 1 89 VAL H 5.000 . 5.000 3.410 2.610 3.630 . 0 0 "[ . 1 . 2 ]" 1
87 1 88 GLY HA2 1 89 VAL H 5.000 . 5.000 3.185 2.710 3.616 . 0 0 "[ . 1 . 2 ]" 1
88 1 89 VAL HA 1 90 LYS H 2.900 . 2.900 2.321 2.100 3.038 0.138 19 0 "[ . 1 . 2 ]" 1
89 1 90 LYS HA 1 91 ALA H 2.900 . 2.900 2.214 2.129 2.328 . 0 0 "[ . 1 . 2 ]" 1
90 1 91 ALA HA 1 92 ASP H 3.500 . 3.500 3.544 3.523 3.565 0.065 9 0 "[ . 1 . 2 ]" 1
91 1 92 ASP HA 1 93 ASP H 2.900 . 2.900 2.496 2.362 2.648 . 0 0 "[ . 1 . 2 ]" 1
92 1 93 ASP HA 1 94 LEU H 2.900 . 2.900 2.416 2.305 2.563 . 0 0 "[ . 1 . 2 ]" 1
93 1 95 VAL HA 1 96 GLY H 3.500 . 3.500 2.330 2.223 2.977 . 0 0 "[ . 1 . 2 ]" 1
94 1 96 GLY HA3 1 97 ALA H 3.500 . 3.500 2.617 2.319 3.541 0.041 14 0 "[ . 1 . 2 ]" 1
95 1 96 GLY HA2 1 97 ALA H 3.500 . 3.500 2.572 2.383 2.967 . 0 0 "[ . 1 . 2 ]" 1
96 1 97 ALA HA 1 98 SER H 3.500 . 3.500 2.972 2.180 3.533 0.033 17 0 "[ . 1 . 2 ]" 1
97 1 99 GLN HA 1 100 ASP H 5.000 . 5.000 3.580 3.541 3.632 . 0 0 "[ . 1 . 2 ]" 1
98 1 100 ASP HA 1 101 LYS H 5.000 . 5.000 3.577 3.530 3.611 . 0 0 "[ . 1 . 2 ]" 1
99 1 101 LYS HA 1 102 LEU H 5.000 . 5.000 3.567 3.527 3.598 . 0 0 "[ . 1 . 2 ]" 1
100 1 103 LYS HA 1 104 ALA H 5.000 . 5.000 3.595 3.545 3.617 . 0 0 "[ . 1 . 2 ]" 1
101 1 104 ALA HA 1 105 LEU H 5.000 . 5.000 3.623 3.590 3.646 . 0 0 "[ . 1 . 2 ]" 1
102 1 105 LEU HA 1 106 VAL H 5.000 . 5.000 3.624 3.600 3.651 . 0 0 "[ . 1 . 2 ]" 1
103 1 106 VAL HA 1 107 ALA H 3.500 . 3.500 3.558 3.501 3.573 0.073 17 0 "[ . 1 . 2 ]" 1
104 1 108 LYS HA 1 109 HIS H 5.000 . 5.000 3.567 3.498 3.610 . 0 0 "[ . 1 . 2 ]" 1
105 1 109 HIS HA 1 110 ALA H 5.000 . 5.000 3.525 3.242 3.589 . 0 0 "[ . 1 . 2 ]" 1
106 1 110 ALA HA 1 111 ALA H 5.000 . 5.000 3.392 2.599 3.606 . 0 0 "[ . 1 . 2 ]" 1
107 1 111 ALA HA 1 112 ALA H 3.500 . 3.500 3.216 2.626 3.599 0.099 11 0 "[ . 1 . 2 ]" 1
108 1 3 SER H 1 4 VAL H 5.000 . 5.000 3.658 2.515 4.320 . 0 0 "[ . 1 . 2 ]" 1
109 1 8 ASP H 1 9 SER H 3.500 . 3.500 2.687 1.904 3.658 0.158 19 0 "[ . 1 . 2 ]" 1
110 1 10 LYS H 1 11 ALA H 5.000 . 5.000 2.932 2.432 3.302 . 0 0 "[ . 1 . 2 ]" 1
111 1 11 ALA H 1 12 ALA H 3.500 . 3.500 2.835 2.560 3.346 . 0 0 "[ . 1 . 2 ]" 1
112 1 12 ALA H 1 13 TRP H 3.500 . 3.500 2.463 1.936 2.792 . 0 0 "[ . 1 . 2 ]" 1
113 1 13 TRP H 1 14 ASP H 3.500 . 3.500 2.843 2.518 3.388 . 0 0 "[ . 1 . 2 ]" 1
114 1 14 ASP H 1 15 ALA H 3.500 . 3.500 2.730 2.558 2.859 . 0 0 "[ . 1 . 2 ]" 1
115 1 15 ALA H 1 16 GLN H 3.500 . 3.500 2.941 2.831 3.082 . 0 0 "[ . 1 . 2 ]" 1
116 1 16 GLN H 1 17 LEU H 3.500 . 3.500 2.792 2.688 2.900 . 0 0 "[ . 1 . 2 ]" 1
117 1 17 LEU H 1 18 ALA H 3.500 . 3.500 2.911 2.582 3.010 . 0 0 "[ . 1 . 2 ]" 1
118 1 18 ALA H 1 19 LYS H 3.500 . 3.500 2.838 2.324 3.147 . 0 0 "[ . 1 . 2 ]" 1
119 1 19 LYS H 1 20 GLY H 3.500 . 3.500 2.744 2.594 2.854 . 0 0 "[ . 1 . 2 ]" 1
120 1 20 GLY H 1 21 LYS H 3.500 . 3.500 2.772 2.503 3.289 . 0 0 "[ . 1 . 2 ]" 1
121 1 21 LYS H 1 22 GLU H 3.500 . 3.500 2.822 2.522 3.106 . 0 0 "[ . 1 . 2 ]" 1
122 1 22 GLU H 1 23 GLU H 3.500 . 3.500 3.436 2.785 3.660 0.160 3 0 "[ . 1 . 2 ]" 1
123 1 23 GLU H 1 24 HIS H 3.500 . 3.500 2.948 2.247 3.681 0.181 3 0 "[ . 1 . 2 ]" 1
124 1 24 HIS H 1 25 LYS H 3.500 . 3.500 2.606 1.808 3.521 0.021 16 0 "[ . 1 . 2 ]" 1
125 1 34 THR H 1 35 TRP H 5.000 . 5.000 2.898 2.389 4.388 . 0 0 "[ . 1 . 2 ]" 1
126 1 35 TRP H 1 36 CYS H 5.000 . 5.000 3.202 2.545 4.609 . 0 0 "[ . 1 . 2 ]" 1
127 1 36 CYS H 1 37 GLY H 5.000 . 5.000 3.425 1.760 4.073 . 0 0 "[ . 1 . 2 ]" 1
128 1 39 CYS H 1 40 LYS H 3.500 . 3.500 2.702 2.346 2.901 . 0 0 "[ . 1 . 2 ]" 1
129 1 40 LYS H 1 41 MET H 3.500 . 3.500 2.690 2.328 2.941 . 0 0 "[ . 1 . 2 ]" 1
130 1 41 MET H 1 42 ILE H 5.000 . 5.000 2.659 2.120 2.906 . 0 0 "[ . 1 . 2 ]" 1
131 1 42 ILE H 1 43 ALA H 5.000 . 5.000 2.567 2.297 2.854 . 0 0 "[ . 1 . 2 ]" 1
132 1 45 LEU H 1 46 PHE H 3.500 . 3.500 2.708 2.529 2.883 . 0 0 "[ . 1 . 2 ]" 1
133 1 46 PHE H 1 47 GLU H 2.900 . 2.900 2.761 2.676 2.884 . 0 0 "[ . 1 . 2 ]" 1
134 1 47 GLU H 1 48 THR H 5.000 . 5.000 2.762 2.596 3.004 . 0 0 "[ . 1 . 2 ]" 1
135 1 48 THR H 1 49 LEU H 5.000 . 5.000 2.759 2.667 2.888 . 0 0 "[ . 1 . 2 ]" 1
136 1 49 LEU H 1 50 SER H 5.000 . 5.000 2.693 2.495 2.904 . 0 0 "[ . 1 . 2 ]" 1
137 1 50 SER H 1 51 ASN H 5.000 . 5.000 2.835 2.469 2.957 . 0 0 "[ . 1 . 2 ]" 1
138 1 51 ASN H 1 52 ASP H 3.500 . 3.500 2.733 2.630 2.857 . 0 0 "[ . 1 . 2 ]" 1
139 1 52 ASP H 1 53 TYR H 3.500 . 3.500 2.901 2.495 3.133 . 0 0 "[ . 1 . 2 ]" 1
140 1 53 TYR H 1 54 ALA H 3.500 . 3.500 2.893 2.360 3.526 0.026 5 0 "[ . 1 . 2 ]" 1
141 1 54 ALA H 1 55 GLY H 5.000 . 5.000 3.996 2.682 4.694 . 0 0 "[ . 1 . 2 ]" 1
142 1 55 GLY H 1 56 LYS H 5.000 . 5.000 3.578 1.859 4.417 . 0 0 "[ . 1 . 2 ]" 1
143 1 56 LYS H 1 57 VAL H 3.500 . 3.500 2.984 2.209 3.600 0.100 5 0 "[ . 1 . 2 ]" 1
144 1 61 LYS H 1 62 VAL H 5.000 . 5.000 4.385 3.971 4.678 . 0 0 "[ . 1 . 2 ]" 1
145 1 62 VAL H 1 63 ASP H 5.000 . 5.000 4.297 3.346 4.467 . 0 0 "[ . 1 . 2 ]" 1
146 1 63 ASP H 1 64 VAL H 5.000 . 5.000 4.221 3.872 4.562 . 0 0 "[ . 1 . 2 ]" 1
147 1 64 VAL H 1 65 ASP H 5.000 . 5.000 2.873 2.663 3.702 . 0 0 "[ . 1 . 2 ]" 1
148 1 65 ASP H 1 66 ALA H 3.500 . 3.500 2.708 2.469 2.934 . 0 0 "[ . 1 . 2 ]" 1
149 1 66 ALA H 1 67 VAL H 2.900 . 2.900 2.656 2.316 2.930 0.030 16 0 "[ . 1 . 2 ]" 1
150 1 67 VAL H 1 68 ALA H 5.000 . 5.000 3.458 2.791 3.584 . 0 0 "[ . 1 . 2 ]" 1
151 1 68 ALA H 1 69 ALA H 5.000 . 5.000 2.887 2.666 3.064 . 0 0 "[ . 1 . 2 ]" 1
152 1 69 ALA H 1 70 VAL H 5.000 . 5.000 2.935 2.804 3.054 . 0 0 "[ . 1 . 2 ]" 1
153 1 70 VAL H 1 71 ALA H 5.000 . 5.000 2.543 2.413 2.688 . 0 0 "[ . 1 . 2 ]" 1
154 1 71 ALA H 1 72 GLU H 3.500 . 3.500 2.989 2.782 3.126 . 0 0 "[ . 1 . 2 ]" 1
155 1 72 GLU H 1 73 ALA H 3.500 . 3.500 2.764 2.680 2.977 . 0 0 "[ . 1 . 2 ]" 1
156 1 73 ALA H 1 74 ALA H 2.900 . 2.900 2.766 2.280 2.829 . 0 0 "[ . 1 . 2 ]" 1
157 1 74 ALA H 1 75 GLY H 3.500 . 3.500 2.669 2.565 2.789 . 0 0 "[ . 1 . 2 ]" 1
158 1 75 GLY H 1 76 ILE H 3.500 . 3.500 2.556 2.150 2.867 . 0 0 "[ . 1 . 2 ]" 1
159 1 76 ILE H 1 77 THR H 5.000 . 5.000 4.517 3.849 4.660 . 0 0 "[ . 1 . 2 ]" 1
160 1 77 THR H 1 78 ALA H 3.500 . 3.500 2.644 2.167 3.255 . 0 0 "[ . 1 . 2 ]" 1
161 1 86 LYS H 1 87 ASP H 5.000 . 5.000 4.331 2.476 4.644 . 0 0 "[ . 1 . 2 ]" 1
162 1 87 ASP H 1 88 GLY H 3.500 . 3.500 3.320 2.070 3.640 0.140 4 0 "[ . 1 . 2 ]" 1
163 1 91 ALA H 1 92 ASP H 3.500 . 3.500 2.364 2.141 2.588 . 0 0 "[ . 1 . 2 ]" 1
164 1 97 ALA H 1 98 SER H 5.000 . 5.000 3.328 2.644 4.453 . 0 0 "[ . 1 . 2 ]" 1
165 1 99 GLN H 1 100 ASP H 5.000 . 5.000 3.011 2.842 3.309 . 0 0 "[ . 1 . 2 ]" 1
166 1 100 ASP H 1 101 LYS H 5.000 . 5.000 2.710 2.561 2.864 . 0 0 "[ . 1 . 2 ]" 1
167 1 101 LYS H 1 102 LEU H 5.000 . 5.000 2.560 2.248 2.681 . 0 0 "[ . 1 . 2 ]" 1
168 1 102 LEU H 1 103 LYS H 5.000 . 5.000 2.866 2.718 2.942 . 0 0 "[ . 1 . 2 ]" 1
169 1 103 LYS H 1 104 ALA H 3.500 . 3.500 2.859 2.727 3.030 . 0 0 "[ . 1 . 2 ]" 1
170 1 104 ALA H 1 105 LEU H 3.500 . 3.500 2.902 2.576 2.986 . 0 0 "[ . 1 . 2 ]" 1
171 1 105 LEU H 1 106 VAL H 3.500 . 3.500 2.817 2.715 2.888 . 0 0 "[ . 1 . 2 ]" 1
172 1 107 ALA H 1 108 LYS H 3.500 . 3.500 2.956 2.885 3.123 . 0 0 "[ . 1 . 2 ]" 1
173 1 108 LYS H 1 109 HIS H 3.500 . 3.500 2.909 2.562 3.022 . 0 0 "[ . 1 . 2 ]" 1
174 1 109 HIS H 1 110 ALA H 2.900 . 2.900 2.708 2.295 2.816 . 0 0 "[ . 1 . 2 ]" 1
175 1 110 ALA H 1 111 ALA H 3.500 . 3.500 2.757 2.013 3.426 . 0 0 "[ . 1 . 2 ]" 1
176 1 111 ALA H 1 112 ALA H 5.000 . 5.000 3.179 2.318 4.651 . 0 0 "[ . 1 . 2 ]" 1
177 1 3 SER HB3 1 4 VAL H 5.000 . 5.000 4.335 3.928 4.613 . 0 0 "[ . 1 . 2 ]" 1
178 1 3 SER HB2 1 4 VAL H 5.000 . 5.000 4.371 3.840 4.485 . 0 0 "[ . 1 . 2 ]" 1
179 1 4 VAL HB 1 5 ILE H 5.000 . 5.000 4.414 3.221 4.642 . 0 0 "[ . 1 . 2 ]" 1
180 1 6 VAL HB 1 7 ILE H 5.000 . 5.000 4.233 2.986 4.600 . 0 0 "[ . 1 . 2 ]" 1
181 1 8 ASP HB3 1 9 SER H 5.000 . 5.000 4.102 2.304 4.721 . 0 0 "[ . 1 . 2 ]" 1
182 1 8 ASP HB2 1 9 SER H 5.000 . 5.000 4.181 3.276 4.600 . 0 0 "[ . 1 . 2 ]" 1
183 1 9 SER QB 1 10 LYS H 6.000 . 6.000 3.283 2.047 3.940 . 0 0 "[ . 1 . 2 ]" 1
184 1 10 LYS HB2 1 11 ALA H 3.500 . 3.500 3.546 2.312 4.018 0.518 18 1 "[ . 1 . + 2 ]" 1
185 1 11 ALA MB 1 12 ALA H 3.900 . 3.900 2.572 2.202 3.168 . 0 0 "[ . 1 . 2 ]" 1
186 1 12 ALA MB 1 13 TRP H 4.500 . 4.500 2.667 2.417 3.459 . 0 0 "[ . 1 . 2 ]" 1
187 1 13 TRP HB3 1 14 ASP H 5.000 . 5.000 2.707 2.177 3.218 . 0 0 "[ . 1 . 2 ]" 1
188 1 13 TRP HB2 1 14 ASP H 5.000 . 5.000 3.941 3.596 4.147 . 0 0 "[ . 1 . 2 ]" 1
189 1 14 ASP HB3 1 15 ALA H 3.500 . 3.500 3.134 2.175 3.695 0.195 11 0 "[ . 1 . 2 ]" 1
190 1 14 ASP HB2 1 15 ALA H 3.500 . 3.500 3.002 2.385 3.603 0.103 6 0 "[ . 1 . 2 ]" 1
191 1 15 ALA MB 1 16 GLN H 4.500 . 4.500 2.355 2.163 2.569 . 0 0 "[ . 1 . 2 ]" 1
192 1 16 GLN QB 1 17 LEU H 6.000 . 6.000 2.545 2.405 2.815 . 0 0 "[ . 1 . 2 ]" 1
193 1 17 LEU QB 1 18 ALA H . . 3.500 2.620 2.178 3.292 . 0 0 "[ . 1 . 2 ]" 1
194 1 18 ALA MB 1 19 LYS H 3.900 . 3.900 2.282 2.174 2.521 . 0 0 "[ . 1 . 2 ]" 1
195 1 19 LYS HB3 1 20 GLY H 5.000 . 5.000 4.229 4.032 4.411 . 0 0 "[ . 1 . 2 ]" 1
196 1 19 LYS HB2 1 20 GLY H 5.000 . 5.000 4.157 3.992 4.460 . 0 0 "[ . 1 . 2 ]" 1
197 1 21 LYS HB3 1 22 GLU H 5.000 . 5.000 4.283 4.056 4.398 . 0 0 "[ . 1 . 2 ]" 1
198 1 21 LYS HB2 1 22 GLU H 5.000 . 5.000 4.458 4.349 4.631 . 0 0 "[ . 1 . 2 ]" 1
199 1 22 GLU HB3 1 23 GLU H 5.000 . 5.000 4.397 3.914 4.729 . 0 0 "[ . 1 . 2 ]" 1
200 1 22 GLU HB2 1 23 GLU H 5.000 . 5.000 4.238 2.823 4.656 . 0 0 "[ . 1 . 2 ]" 1
201 1 23 GLU HB3 1 24 HIS H 5.000 . 5.000 3.091 2.016 3.773 . 0 0 "[ . 1 . 2 ]" 1
202 1 23 GLU HB2 1 24 HIS H 3.500 . 3.500 2.627 1.983 4.312 0.812 3 1 "[ + . 1 . 2 ]" 1
203 1 24 HIS HB3 1 25 LYS H 5.000 . 5.000 4.471 3.479 4.640 . 0 0 "[ . 1 . 2 ]" 1
204 1 24 HIS HB2 1 25 LYS H 5.000 . 5.000 4.581 4.374 4.707 . 0 0 "[ . 1 . 2 ]" 1
205 1 26 PRO HB3 1 27 ILE H 5.000 . 5.000 4.208 3.792 4.551 . 0 0 "[ . 1 . 2 ]" 1
206 1 26 PRO HB2 1 27 ILE H 5.000 . 5.000 3.834 3.412 4.323 . 0 0 "[ . 1 . 2 ]" 1
207 1 27 ILE HB 1 28 VAL H 5.000 . 5.000 4.291 3.496 4.568 . 0 0 "[ . 1 . 2 ]" 1
208 1 28 VAL HB 1 29 VAL H 5.000 . 5.000 4.262 3.900 4.389 . 0 0 "[ . 1 . 2 ]" 1
209 1 29 VAL HB 1 30 ASP H 5.000 . 5.000 4.139 3.837 4.453 . 0 0 "[ . 1 . 2 ]" 1
210 1 31 PHE HB3 1 32 THR H 5.000 . 5.000 3.821 3.299 4.050 . 0 0 "[ . 1 . 2 ]" 1
211 1 31 PHE HB2 1 32 THR H 5.000 . 5.000 4.479 4.257 4.554 . 0 0 "[ . 1 . 2 ]" 1
212 1 33 ALA MB 1 34 THR H 6.000 . 6.000 2.828 1.848 3.717 . 0 0 "[ . 1 . 2 ]" 1
213 1 34 THR HB 1 35 TRP H 5.000 . 5.000 2.849 2.443 3.120 . 0 0 "[ . 1 . 2 ]" 1
214 1 35 TRP QB 1 36 CYS H 6.000 . 6.000 3.494 2.240 4.053 . 0 0 "[ . 1 . 2 ]" 1
215 1 38 PRO HB3 1 39 CYS H 5.000 . 5.000 4.012 3.823 4.370 . 0 0 "[ . 1 . 2 ]" 1
216 1 38 PRO HB2 1 39 CYS H 5.000 . 5.000 2.772 2.452 3.598 . 0 0 "[ . 1 . 2 ]" 1
217 1 39 CYS HB3 1 40 LYS H 5.000 . 5.000 3.753 3.327 4.048 . 0 0 "[ . 1 . 2 ]" 1
218 1 39 CYS HB2 1 40 LYS H 5.000 . 5.000 3.065 2.350 4.443 . 0 0 "[ . 1 . 2 ]" 1
219 1 40 LYS QB 1 41 MET H 6.000 . 6.000 2.878 2.233 3.402 . 0 0 "[ . 1 . 2 ]" 1
220 1 41 MET QB 1 42 ILE H 4.500 . 4.500 3.070 2.471 3.707 . 0 0 "[ . 1 . 2 ]" 1
221 1 42 ILE HB 1 43 ALA H 5.000 . 5.000 3.010 2.662 3.239 . 0 0 "[ . 1 . 2 ]" 1
222 1 45 LEU HB3 1 46 PHE H 3.500 . 3.500 3.193 2.819 3.493 . 0 0 "[ . 1 . 2 ]" 1
223 1 46 PHE QB 1 47 GLU H 5.000 . 5.000 2.647 2.477 2.825 . 0 0 "[ . 1 . 2 ]" 1
224 1 47 GLU QB 1 48 THR H 5.000 . 5.000 2.715 2.550 2.880 . 0 0 "[ . 1 . 2 ]" 1
225 1 48 THR HB 1 49 LEU H 3.500 . 3.500 2.571 2.390 3.477 . 0 0 "[ . 1 . 2 ]" 1
226 1 49 LEU HB2 1 50 SER H 5.000 . 5.000 3.154 2.548 3.881 . 0 0 "[ . 1 . 2 ]" 1
227 1 49 LEU HB3 1 50 SER H 5.000 . 5.000 3.251 2.456 4.184 . 0 0 "[ . 1 . 2 ]" 1
228 1 50 SER HB2 1 51 ASN H 5.000 . 5.000 2.661 2.334 4.011 . 0 0 "[ . 1 . 2 ]" 1
229 1 51 ASN QB 1 52 ASP H 4.500 . 4.500 2.612 2.373 3.389 . 0 0 "[ . 1 . 2 ]" 1
230 1 52 ASP QB 1 53 TYR H 5.000 . 5.000 2.397 2.175 2.584 . 0 0 "[ . 1 . 2 ]" 1
231 1 54 ALA MB 1 55 GLY H 6.000 . 6.000 2.738 1.871 3.776 . 0 0 "[ . 1 . 2 ]" 1
232 1 56 LYS QB 1 57 VAL H 5.000 . 5.000 3.276 2.202 4.116 . 0 0 "[ . 1 . 2 ]" 1
233 1 57 VAL HB 1 58 ILE H 5.000 . 5.000 3.682 2.350 4.284 . 0 0 "[ . 1 . 2 ]" 1
234 1 58 ILE HB 1 59 PHE H 5.000 . 5.000 4.361 4.041 4.564 . 0 0 "[ . 1 . 2 ]" 1
235 1 60 LEU QB 1 61 LYS H 5.000 . 5.000 3.496 2.467 3.890 . 0 0 "[ . 1 . 2 ]" 1
236 1 61 LYS QB 1 62 VAL H 4.500 . 4.500 3.710 2.840 4.027 . 0 0 "[ . 1 . 2 ]" 1
237 1 62 VAL HB 1 63 ASP H 5.000 . 5.000 4.284 3.890 4.561 . 0 0 "[ . 1 . 2 ]" 1
238 1 63 ASP HB3 1 64 VAL H 5.000 . 5.000 4.340 3.880 4.516 . 0 0 "[ . 1 . 2 ]" 1
239 1 63 ASP HB2 1 64 VAL H 5.000 . 5.000 4.449 4.205 4.592 . 0 0 "[ . 1 . 2 ]" 1
240 1 65 ASP QB 1 66 ALA H 4.500 . 4.500 2.752 2.260 3.743 . 0 0 "[ . 1 . 2 ]" 1
241 1 66 ALA MB 1 67 VAL H 4.500 . 4.500 2.213 2.102 2.604 . 0 0 "[ . 1 . 2 ]" 1
242 1 67 VAL HB 1 68 ALA H 5.000 . 5.000 4.388 4.285 4.514 . 0 0 "[ . 1 . 2 ]" 1
243 1 68 ALA MB 1 69 ALA H 4.500 . 4.500 2.478 2.267 2.570 . 0 0 "[ . 1 . 2 ]" 1
244 1 69 ALA MB 1 70 VAL H 4.500 . 4.500 2.419 2.285 2.680 . 0 0 "[ . 1 . 2 ]" 1
245 1 70 VAL HB 1 71 ALA H 3.500 . 3.500 2.538 2.326 2.623 . 0 0 "[ . 1 . 2 ]" 1
246 1 71 ALA MB 1 72 GLU H 4.500 . 4.500 2.386 2.324 2.471 . 0 0 "[ . 1 . 2 ]" 1
247 1 72 GLU HB3 1 73 ALA H 5.000 . 5.000 3.763 2.414 4.117 . 0 0 "[ . 1 . 2 ]" 1
248 1 72 GLU HB2 1 73 ALA H 5.000 . 5.000 3.788 3.087 4.011 . 0 0 "[ . 1 . 2 ]" 1
249 1 73 ALA MB 1 74 ALA H 3.900 . 3.900 2.506 2.433 2.554 . 0 0 "[ . 1 . 2 ]" 1
250 1 74 ALA MB 1 75 GLY H 4.500 . 4.500 3.008 2.419 3.493 . 0 0 "[ . 1 . 2 ]" 1
251 1 76 ILE HB 1 77 THR H 5.000 . 5.000 4.207 3.753 4.604 . 0 0 "[ . 1 . 2 ]" 1
252 1 78 ALA MB 1 79 MET H 6.000 . 6.000 3.359 2.194 3.792 . 0 0 "[ . 1 . 2 ]" 1
253 1 80 PRO HB3 1 81 THR H 5.000 . 5.000 3.465 2.693 3.966 . 0 0 "[ . 1 . 2 ]" 1
254 1 80 PRO HB2 1 81 THR H 5.000 . 5.000 3.537 2.775 4.028 . 0 0 "[ . 1 . 2 ]" 1
255 1 81 THR HB 1 82 PHE H 5.000 . 5.000 4.344 4.050 4.518 . 0 0 "[ . 1 . 2 ]" 1
256 1 82 PHE HB3 1 83 HIS H 5.000 . 5.000 3.537 3.209 4.038 . 0 0 "[ . 1 . 2 ]" 1
257 1 82 PHE HB2 1 83 HIS H 5.000 . 5.000 4.368 4.153 4.586 . 0 0 "[ . 1 . 2 ]" 1
258 1 84 VAL HB 1 85 TYR H 5.000 . 5.000 4.343 4.008 4.507 . 0 0 "[ . 1 . 2 ]" 1
259 1 85 TYR HB2 1 86 LYS H 5.000 . 5.000 4.465 3.998 4.655 . 0 0 "[ . 1 . 2 ]" 1
260 1 85 TYR HB3 1 86 LYS H 5.000 . 5.000 3.873 3.086 4.459 . 0 0 "[ . 1 . 2 ]" 1
261 1 86 LYS HB3 1 87 ASP H 5.000 . 5.000 3.295 1.964 4.433 . 0 0 "[ . 1 . 2 ]" 1
262 1 86 LYS HB2 1 87 ASP H 5.000 . 5.000 3.903 2.147 4.486 . 0 0 "[ . 1 . 2 ]" 1
263 1 87 ASP QB 1 88 GLY H 3.500 . 3.500 2.359 2.065 3.222 . 0 0 "[ . 1 . 2 ]" 1
264 1 89 VAL HB 1 90 LYS H 3.500 . 5.000 3.859 2.052 4.371 . 0 0 "[ . 1 . 2 ]" 1
265 1 90 LYS HB3 1 91 ALA H 5.000 . 5.000 4.414 4.252 4.491 . 0 0 "[ . 1 . 2 ]" 1
266 1 90 LYS HB2 1 91 ALA H 5.000 . 5.000 4.560 4.438 4.653 . 0 0 "[ . 1 . 2 ]" 1
267 1 91 ALA MB 1 92 ASP H 4.500 . 4.500 2.718 2.519 2.876 . 0 0 "[ . 1 . 2 ]" 1
268 1 92 ASP HB2 1 93 ASP H 5.000 . 5.000 3.950 3.858 4.093 . 0 0 "[ . 1 . 2 ]" 1
269 1 92 ASP HB3 1 93 ASP H 5.000 . 5.000 3.312 2.845 3.698 . 0 0 "[ . 1 . 2 ]" 1
270 1 93 ASP HB3 1 94 LEU H 3.500 . 3.500 3.078 2.392 3.604 0.104 21 0 "[ . 1 . 2 ]" 1
271 1 93 ASP HB2 1 94 LEU H 3.500 . 3.500 3.093 2.091 3.685 0.185 11 0 "[ . 1 . 2 ]" 1
272 1 94 LEU QB 1 95 VAL H 5.000 . 5.000 3.733 2.535 4.016 . 0 0 "[ . 1 . 2 ]" 1
273 1 95 VAL HB 1 96 GLY H 5.000 . 5.000 2.944 2.441 4.530 . 0 0 "[ . 1 . 2 ]" 1
274 1 97 ALA MB 1 98 SER H 6.000 . 6.000 3.195 1.893 3.769 . 0 0 "[ . 1 . 2 ]" 1
275 1 99 GLN QB 1 100 ASP H 6.000 . 6.000 2.837 2.244 3.619 . 0 0 "[ . 1 . 2 ]" 1
276 1 100 ASP HB3 1 101 LYS H 5.000 . 5.000 3.515 2.426 3.868 . 0 0 "[ . 1 . 2 ]" 1
277 1 100 ASP HB2 1 101 LYS H 5.000 . 5.000 3.492 2.468 3.958 . 0 0 "[ . 1 . 2 ]" 1
278 1 101 LYS HB3 1 102 LEU H 5.000 . 5.000 2.805 2.613 3.523 . 0 0 "[ . 1 . 2 ]" 1
279 1 102 LEU HB2 1 103 LYS H 3.500 . 3.500 3.581 2.616 3.984 0.484 14 0 "[ . 1 . 2 ]" 1
280 1 103 LYS HB3 1 104 ALA H 3.500 . 3.500 3.165 2.237 3.522 0.022 9 0 "[ . 1 . 2 ]" 1
281 1 103 LYS HB2 1 104 ALA H 3.500 . 3.500 2.715 2.385 3.589 0.089 15 0 "[ . 1 . 2 ]" 1
282 1 104 ALA MB 1 105 LEU H 3.900 . 3.900 2.525 2.432 2.710 . 0 0 "[ . 1 . 2 ]" 1
283 1 105 LEU HB2 1 106 VAL H 3.500 . 3.500 2.535 2.277 2.744 . 0 0 "[ . 1 . 2 ]" 1
284 1 105 LEU HB3 1 106 VAL H 3.500 . 3.500 3.382 3.192 3.523 0.023 19 0 "[ . 1 . 2 ]" 1
285 1 106 VAL HB 1 107 ALA H 2.900 . 2.900 2.531 2.365 3.078 0.178 23 0 "[ . 1 . 2 ]" 1
286 1 107 ALA MB 1 108 LYS H 3.900 . 3.900 2.363 2.239 2.734 . 0 0 "[ . 1 . 2 ]" 1
287 1 108 LYS HB3 1 109 HIS H 3.500 . 3.500 2.451 2.061 3.844 0.344 6 0 "[ . 1 . 2 ]" 1
288 1 108 LYS HB2 1 109 HIS H 5.000 . 5.000 3.710 3.550 4.129 . 0 0 "[ . 1 . 2 ]" 1
289 1 109 HIS HB3 1 110 ALA H 5.000 . 5.000 3.946 3.442 4.435 . 0 0 "[ . 1 . 2 ]" 1
290 1 109 HIS HB2 1 110 ALA H 5.000 . 5.000 3.150 2.322 3.845 . 0 0 "[ . 1 . 2 ]" 1
291 1 110 ALA MB 1 111 ALA H 4.500 . 4.500 2.928 2.232 3.769 . 0 0 "[ . 1 . 2 ]" 1
292 1 111 ALA MB 1 112 ALA H 6.000 . 6.000 2.981 1.923 3.821 . 0 0 "[ . 1 . 2 ]" 1
293 1 4 VAL QG 1 5 ILE H . . 4.500 3.335 1.891 3.570 . 0 0 "[ . 1 . 2 ]" 1
294 1 5 ILE MG 1 6 VAL H 4.500 . 4.500 3.452 2.317 3.827 . 0 0 "[ . 1 . 2 ]" 1
295 1 5 ILE QG 1 6 VAL H 5.000 . 5.000 3.766 2.682 4.437 . 0 0 "[ . 1 . 2 ]" 1
296 1 16 GLN QG 1 17 LEU H 5.000 . 5.000 4.149 3.527 4.498 . 0 0 "[ . 1 . 2 ]" 1
297 1 17 LEU HG 1 18 ALA H 5.000 . 5.000 4.323 3.192 5.113 0.113 14 0 "[ . 1 . 2 ]" 1
298 1 19 LYS HG3 1 20 GLY H 3.500 . 3.500 2.814 2.239 3.508 0.008 8 0 "[ . 1 . 2 ]" 1
299 1 19 LYS HG2 1 20 GLY H 5.000 . 5.000 3.209 2.456 4.146 . 0 0 "[ . 1 . 2 ]" 1
300 1 21 LYS HG2 1 22 GLU H 5.000 . 5.000 4.934 4.677 5.694 0.694 21 2 "[ . 1 . - 2+ ]" 1
301 1 23 GLU HG3 1 24 HIS H 5.000 . 5.000 4.383 3.251 4.954 . 0 0 "[ . 1 . 2 ]" 1
302 1 27 ILE HG13 1 28 VAL H 5.000 . 5.000 4.946 3.846 5.924 0.924 11 1 "[ . 1+ . 2 ]" 1
303 1 28 VAL MG1 1 29 VAL H 3.900 . 3.900 3.154 2.356 4.177 0.277 11 0 "[ . 1 . 2 ]" 1
304 1 28 VAL MG2 1 29 VAL H 6.000 . 6.000 4.014 2.461 4.395 . 0 0 "[ . 1 . 2 ]" 1
305 1 32 THR MG 1 33 ALA H 4.500 . 4.500 2.662 1.869 3.738 . 0 0 "[ . 1 . 2 ]" 1
306 1 41 MET HG3 1 42 ILE H 5.000 . 5.000 4.528 2.510 5.576 0.576 20 1 "[ . 1 . + ]" 1
307 1 42 ILE MG 1 43 ALA H 4.500 . 4.500 3.639 3.283 3.766 . 0 0 "[ . 1 . 2 ]" 1
308 1 45 LEU HG 1 46 PHE H 5.000 . 5.000 4.563 4.007 5.028 0.028 18 0 "[ . 1 . 2 ]" 1
309 1 48 THR MG 1 49 LEU H 4.500 . 4.500 3.596 3.458 3.824 . 0 0 "[ . 1 . 2 ]" 1
310 1 49 LEU HG 1 50 SER H 5.000 . 5.000 4.620 3.921 5.123 0.123 7 0 "[ . 1 . 2 ]" 1
311 1 56 LYS QG 1 57 VAL H 6.000 . 6.000 4.039 2.609 4.808 . 0 0 "[ . 1 . 2 ]" 1
312 1 58 ILE MG 1 59 PHE H 4.500 . 4.500 2.984 2.303 3.477 . 0 0 "[ . 1 . 2 ]" 1
313 1 61 LYS HG3 1 62 VAL H 5.000 . 5.000 4.075 2.541 5.073 0.073 19 0 "[ . 1 . 2 ]" 1
314 1 61 LYS HG2 1 62 VAL H 5.000 . 5.000 4.249 2.540 5.117 0.117 17 0 "[ . 1 . 2 ]" 1
315 1 62 VAL QG 1 63 ASP H 6.000 . 6.000 2.717 2.190 3.656 . 0 0 "[ . 1 . 2 ]" 1
316 1 67 VAL QG 1 68 ALA H 6.000 . 6.000 3.737 3.671 3.828 . 0 0 "[ . 1 . 2 ]" 1
317 1 70 VAL MG1 1 71 ALA H 4.500 . 4.500 3.509 3.103 3.632 . 0 0 "[ . 1 . 2 ]" 1
318 1 70 VAL MG2 1 71 ALA H 4.500 . 4.500 3.806 3.768 3.843 . 0 0 "[ . 1 . 2 ]" 1
319 1 76 ILE HG13 1 77 THR H 5.000 . 5.000 4.672 3.718 5.830 0.830 16 1 "[ . 1 .+ 2 ]" 1
320 1 76 ILE MG 1 77 THR H 4.500 . 4.500 2.618 2.107 3.635 . 0 0 "[ . 1 . 2 ]" 1
321 1 81 THR MG 1 82 PHE H 4.500 . 4.500 2.869 2.429 3.271 . 0 0 "[ . 1 . 2 ]" 1
322 1 84 VAL MG1 1 85 TYR H 6.000 . 6.000 3.061 2.461 3.454 . 0 0 "[ . 1 . 2 ]" 1
323 1 84 VAL MG2 1 85 TYR H 4.500 . 4.500 4.244 3.118 4.475 . 0 0 "[ . 1 . 2 ]" 1
324 1 86 LYS QG 1 87 ASP H 5.000 . 5.000 3.552 2.228 4.470 . 0 0 "[ . 1 . 2 ]" 1
325 1 90 LYS HG2 1 91 ALA H 5.000 . 5.000 3.801 3.262 4.211 . 0 0 "[ . 1 . 2 ]" 1
326 1 90 LYS HG3 1 91 ALA H 5.000 . 5.000 3.981 3.273 4.592 . 0 0 "[ . 1 . 2 ]" 1
327 1 95 VAL MG1 1 96 GLY H 4.500 . 4.500 3.527 2.145 4.450 . 0 0 "[ . 1 . 2 ]" 1
328 1 95 VAL MG2 1 96 GLY H 6.000 . 6.000 3.764 3.469 4.267 . 0 0 "[ . 1 . 2 ]" 1
329 1 99 GLN HG2 1 100 ASP H 5.000 . 5.000 4.183 2.362 5.339 0.339 14 0 "[ . 1 . 2 ]" 1
330 1 101 LYS HG3 1 102 LEU H 5.000 . 5.000 4.598 3.876 5.116 0.116 8 0 "[ . 1 . 2 ]" 1
331 1 106 VAL MG2 1 107 ALA H 4.500 . 4.500 3.823 3.723 4.102 . 0 0 "[ . 1 . 2 ]" 1
332 1 106 VAL MG1 1 107 ALA H 6.000 . 6.000 3.314 2.052 3.725 . 0 0 "[ . 1 . 2 ]" 1
333 1 22 GLU HA 1 24 HIS H 5.000 . 5.000 4.182 3.473 5.103 0.103 16 0 "[ . 1 . 2 ]" 1
334 1 43 ALA HA 1 45 LEU H 5.000 . 5.000 4.389 4.156 4.596 . 0 0 "[ . 1 . 2 ]" 1
335 1 44 PRO HA 1 46 PHE H 5.000 . 5.000 4.644 4.463 4.813 . 0 0 "[ . 1 . 2 ]" 1
336 1 49 LEU HA 1 51 ASN H 5.000 . 5.000 4.429 3.715 4.710 . 0 0 "[ . 1 . 2 ]" 1
337 1 52 ASP HA 1 54 ALA H 5.000 . 5.000 4.374 3.806 5.077 0.077 2 0 "[ . 1 . 2 ]" 1
338 1 63 ASP HA 1 65 ASP H 5.000 . 5.000 3.744 3.435 4.543 . 0 0 "[ . 1 . 2 ]" 1
339 1 66 ALA HA 1 68 ALA H 5.000 . 5.000 4.027 3.762 4.126 . 0 0 "[ . 1 . 2 ]" 1
340 1 70 VAL HA 1 72 GLU H 5.000 . 5.000 4.722 4.476 4.854 . 0 0 "[ . 1 . 2 ]" 1
341 1 86 LYS HA 1 88 GLY H 5.000 . 5.000 4.404 4.049 5.003 0.003 2 0 "[ . 1 . 2 ]" 1
342 1 90 LYS HA 1 92 ASP H 5.000 . 5.000 3.590 3.362 3.946 . 0 0 "[ . 1 . 2 ]" 1
343 1 100 ASP HA 1 102 LEU H 5.000 . 5.000 4.480 4.339 4.595 . 0 0 "[ . 1 . 2 ]" 1
344 1 106 VAL HA 1 108 LYS H 5.000 . 5.000 4.686 4.111 4.858 . 0 0 "[ . 1 . 2 ]" 1
345 1 108 LYS HA 1 110 ALA H 5.000 . 5.000 4.481 3.976 5.025 0.025 9 0 "[ . 1 . 2 ]" 1
346 1 12 ALA H 1 14 ASP H 5.000 . 5.000 4.284 3.907 4.803 . 0 0 "[ . 1 . 2 ]" 1
347 1 13 TRP H 1 15 ALA H 5.000 . 5.000 4.303 3.932 5.008 0.008 19 0 "[ . 1 . 2 ]" 1
348 1 16 GLN H 1 18 ALA H 5.000 . 5.000 4.240 4.073 4.422 . 0 0 "[ . 1 . 2 ]" 1
349 1 18 ALA H 1 20 GLY H 5.000 . 5.000 3.868 3.254 4.117 . 0 0 "[ . 1 . 2 ]" 1
350 1 19 LYS H 1 21 LYS H 5.000 . 5.000 4.416 4.292 4.887 . 0 0 "[ . 1 . 2 ]" 1
351 1 20 GLY H 1 22 GLU H 5.000 . 5.000 4.838 4.279 5.076 0.076 12 0 "[ . 1 . 2 ]" 1
352 1 40 LYS H 1 42 ILE H 5.000 . 5.000 4.257 3.874 4.527 . 0 0 "[ . 1 . 2 ]" 1
353 1 41 MET H 1 43 ALA H 5.000 . 5.000 4.177 3.763 4.409 . 0 0 "[ . 1 . 2 ]" 1
354 1 45 LEU H 1 47 GLU H 5.000 . 5.000 3.932 3.765 4.151 . 0 0 "[ . 1 . 2 ]" 1
355 1 46 PHE H 1 48 THR H 5.000 . 5.000 4.171 3.992 4.409 . 0 0 "[ . 1 . 2 ]" 1
356 1 49 LEU H 1 51 ASN H 5.000 . 5.000 4.352 4.208 4.453 . 0 0 "[ . 1 . 2 ]" 1
357 1 65 ASP H 1 67 VAL H 5.000 . 5.000 4.484 2.380 5.050 0.050 10 0 "[ . 1 . 2 ]" 1
358 1 69 ALA H 1 71 ALA H 5.000 . 5.000 4.246 4.108 4.525 . 0 0 "[ . 1 . 2 ]" 1
359 1 70 VAL H 1 72 GLU H 5.000 . 5.000 4.335 4.015 4.536 . 0 0 "[ . 1 . 2 ]" 1
360 1 72 GLU H 1 74 ALA H 5.000 . 5.000 4.246 4.155 4.334 . 0 0 "[ . 1 . 2 ]" 1
361 1 73 ALA H 1 75 GLY H 5.000 . 5.000 4.035 3.894 4.323 . 0 0 "[ . 1 . 2 ]" 1
362 1 77 THR H 1 79 MET H 6.000 . 6.000 4.948 4.098 6.047 0.047 5 0 "[ . 1 . 2 ]" 1
363 1 100 ASP H 1 102 LEU H 5.000 . 5.000 3.978 3.785 4.198 . 0 0 "[ . 1 . 2 ]" 1
364 1 102 LEU H 1 104 ALA H 5.000 . 5.000 4.223 4.082 4.450 . 0 0 "[ . 1 . 2 ]" 1
365 1 107 ALA H 1 109 HIS H 5.000 . 5.000 4.560 4.434 4.664 . 0 0 "[ . 1 . 2 ]" 1
366 1 109 HIS H 1 111 ALA H 5.000 . 5.000 4.416 3.774 5.016 0.016 10 0 "[ . 1 . 2 ]" 1
367 1 10 LYS HA 1 13 TRP H 5.000 . 5.000 3.384 2.969 4.077 . 0 0 "[ . 1 . 2 ]" 1
368 1 11 ALA HA 1 14 ASP H 5.000 . 5.000 3.884 3.468 5.075 0.075 7 0 "[ . 1 . 2 ]" 1
369 1 12 ALA HA 1 15 ALA H 5.000 . 5.000 3.495 3.063 5.044 0.044 19 0 "[ . 1 . 2 ]" 1
370 1 16 GLN HA 1 19 LYS H 5.000 . 5.000 3.669 3.317 3.972 . 0 0 "[ . 1 . 2 ]" 1
371 1 17 LEU HA 1 20 GLY H 5.000 . 5.000 4.027 3.535 4.595 . 0 0 "[ . 1 . 2 ]" 1
372 1 18 ALA HA 1 21 LYS H 5.000 . 5.000 3.950 3.497 5.063 0.063 10 0 "[ . 1 . 2 ]" 1
373 1 40 LYS HA 1 43 ALA H 5.000 . 5.000 3.461 2.789 4.041 . 0 0 "[ . 1 . 2 ]" 1
374 1 41 MET HA 1 44 PRO HD3 5.000 . 5.000 3.840 3.438 4.372 . 0 0 "[ . 1 . 2 ]" 1
375 1 41 MET HA 1 44 PRO HD2 5.000 . 5.000 2.771 2.470 3.067 . 0 0 "[ . 1 . 2 ]" 1
376 1 42 ILE HA 1 45 LEU H 5.000 . 5.000 3.485 3.232 3.839 . 0 0 "[ . 1 . 2 ]" 1
377 1 43 ALA HA 1 46 PHE H 5.000 . 5.000 3.556 3.261 3.717 . 0 0 "[ . 1 . 2 ]" 1
378 1 46 PHE HA 1 49 LEU H 5.000 . 5.000 3.410 3.191 3.793 . 0 0 "[ . 1 . 2 ]" 1
379 1 47 GLU HA 1 50 SER H 5.000 . 5.000 3.142 2.940 3.349 . 0 0 "[ . 1 . 2 ]" 1
380 1 48 THR HA 1 51 ASN H 5.000 . 5.000 3.469 3.326 3.656 . 0 0 "[ . 1 . 2 ]" 1
381 1 49 LEU HA 1 52 ASP H 5.000 . 5.000 3.241 2.919 3.590 . 0 0 "[ . 1 . 2 ]" 1
382 1 50 SER HA 1 53 TYR H 5.000 . 5.000 3.747 3.282 4.079 . 0 0 "[ . 1 . 2 ]" 1
383 1 67 VAL HA 1 70 VAL H 5.000 . 5.000 3.904 3.671 4.224 . 0 0 "[ . 1 . 2 ]" 1
384 1 68 ALA HA 1 71 ALA H 5.000 . 5.000 3.633 3.481 3.780 . 0 0 "[ . 1 . 2 ]" 1
385 1 70 VAL HA 1 73 ALA H 5.000 . 5.000 3.567 3.388 3.763 . 0 0 "[ . 1 . 2 ]" 1
386 1 71 ALA HA 1 74 ALA H 5.000 . 5.000 3.721 3.503 3.879 . 0 0 "[ . 1 . 2 ]" 1
387 1 72 GLU HA 1 75 GLY H 5.000 . 5.000 3.365 3.086 3.950 . 0 0 "[ . 1 . 2 ]" 1
388 1 99 GLN HA 1 102 LEU H 5.000 . 5.000 3.349 3.081 3.566 . 0 0 "[ . 1 . 2 ]" 1
389 1 100 ASP HA 1 103 LYS H 5.000 . 5.000 3.654 3.478 3.918 . 0 0 "[ . 1 . 2 ]" 1
390 1 101 LYS HA 1 104 ALA H 5.000 . 5.000 3.294 3.021 3.548 . 0 0 "[ . 1 . 2 ]" 1
391 1 102 LEU HA 1 105 LEU H 5.000 . 5.000 3.497 3.217 3.798 . 0 0 "[ . 1 . 2 ]" 1
392 1 103 LYS HA 1 106 VAL H 5.000 . 5.000 3.611 3.395 3.965 . 0 0 "[ . 1 . 2 ]" 1
393 1 104 ALA HA 1 107 ALA H 5.000 . 5.000 3.669 3.382 3.963 . 0 0 "[ . 1 . 2 ]" 1
394 1 107 ALA HA 1 109 HIS H 5.000 . 5.000 4.907 4.265 5.065 0.065 16 0 "[ . 1 . 2 ]" 1
395 1 108 LYS HA 1 111 ALA H 5.000 . 5.000 4.238 3.736 5.064 0.064 13 0 "[ . 1 . 2 ]" 1
396 1 10 LYS HA 1 13 TRP HB3 5.000 . 5.000 2.401 2.047 2.977 . 0 0 "[ . 1 . 2 ]" 1
397 1 10 LYS HA 1 13 TRP HB2 5.000 . 5.000 3.435 2.221 4.208 . 0 0 "[ . 1 . 2 ]" 1
398 1 12 ALA HA 1 15 ALA MB 6.000 . 6.000 2.417 2.120 4.384 . 0 0 "[ . 1 . 2 ]" 1
399 1 15 ALA HA 1 18 ALA MB 6.000 . 6.000 2.925 2.605 3.442 . 0 0 "[ . 1 . 2 ]" 1
400 1 16 GLN HA 1 19 LYS HB3 5.000 . 5.000 4.550 4.369 4.940 . 0 0 "[ . 1 . 2 ]" 1
401 1 16 GLN HA 1 19 LYS HB2 5.000 . 5.000 5.001 4.790 5.067 0.067 7 0 "[ . 1 . 2 ]" 1
402 1 37 GLY HA3 1 40 LYS QB 6.000 . 6.000 4.708 4.040 5.419 . 0 0 "[ . 1 . 2 ]" 1
403 1 37 GLY HA2 1 40 LYS QB 6.000 . 6.000 3.399 2.541 4.054 . 0 0 "[ . 1 . 2 ]" 1
404 1 38 PRO HA 1 41 MET QB 6.000 . 6.000 3.396 2.279 4.531 . 0 0 "[ . 1 . 2 ]" 1
405 1 39 CYS HA 1 42 ILE HB 5.000 . 5.000 3.804 2.305 5.041 0.041 10 0 "[ . 1 . 2 ]" 1
406 1 40 LYS HA 1 43 ALA MB 6.000 . 6.000 3.135 2.441 3.625 . 0 0 "[ . 1 . 2 ]" 1
407 1 42 ILE HA 1 45 LEU HB3 5.000 . 5.000 4.113 3.733 4.453 . 0 0 "[ . 1 . 2 ]" 1
408 1 42 ILE HA 1 45 LEU HB2 5.000 . 5.000 2.625 2.284 2.994 . 0 0 "[ . 1 . 2 ]" 1
409 1 43 ALA HA 1 46 PHE QB 5.000 . 5.000 2.592 2.381 2.991 . 0 0 "[ . 1 . 2 ]" 1
410 1 47 GLU HA 1 50 SER HB3 5.000 . 5.000 3.634 2.565 3.882 . 0 0 "[ . 1 . 2 ]" 1
411 1 47 GLU HA 1 50 SER HB2 5.000 . 5.000 2.591 2.233 4.507 . 0 0 "[ . 1 . 2 ]" 1
412 1 48 THR HA 1 51 ASN QB 6.000 . 6.000 2.900 2.523 3.690 . 0 0 "[ . 1 . 2 ]" 1
413 1 49 LEU HA 1 52 ASP QB 5.000 . 5.000 2.455 2.110 3.578 . 0 0 "[ . 1 . 2 ]" 1
414 1 63 ASP HA 1 66 ALA MB 6.000 . 6.000 4.693 4.442 4.867 . 0 0 "[ . 1 . 2 ]" 1
415 1 67 VAL HA 1 70 VAL HB 5.000 . 5.000 4.681 4.367 5.081 0.081 23 0 "[ . 1 . 2 ]" 1
416 1 70 VAL HA 1 73 ALA MB 6.000 . 6.000 2.501 2.347 3.143 . 0 0 "[ . 1 . 2 ]" 1
417 1 98 SER HA 1 101 LYS HB3 5.000 . 5.000 4.532 4.084 5.094 0.094 12 0 "[ . 1 . 2 ]" 1
418 1 98 SER HA 1 101 LYS HB2 5.000 . 5.000 4.755 3.477 5.042 0.042 4 0 "[ . 1 . 2 ]" 1
419 1 100 ASP HA 1 103 LYS HB3 5.000 . 5.000 4.268 2.865 5.008 0.008 19 0 "[ . 1 . 2 ]" 1
420 1 100 ASP HA 1 103 LYS HB2 5.000 . 5.000 3.081 2.670 3.651 . 0 0 "[ . 1 . 2 ]" 1
421 1 106 VAL HA 1 109 HIS HB3 5.000 . 5.000 4.799 4.323 5.016 0.016 8 0 "[ . 1 . 2 ]" 1
422 1 106 VAL HA 1 109 HIS HB2 5.000 . 5.000 3.189 2.791 3.410 . 0 0 "[ . 1 . 2 ]" 1
423 1 107 ALA HA 1 110 ALA MB 6.000 . 6.000 2.840 2.318 3.647 . 0 0 "[ . 1 . 2 ]" 1
424 1 10 LYS HA 1 14 ASP H 5.000 . 5.000 4.166 3.747 5.039 0.039 15 0 "[ . 1 . 2 ]" 1
425 1 13 TRP HA 1 17 LEU H 5.000 . 5.000 4.062 3.815 5.025 0.025 17 0 "[ . 1 . 2 ]" 1
426 1 15 ALA HA 1 19 LYS H 5.000 . 5.000 3.915 3.664 4.150 . 0 0 "[ . 1 . 2 ]" 1
427 1 16 GLN HA 1 20 GLY H 5.000 . 5.000 3.689 2.934 4.359 . 0 0 "[ . 1 . 2 ]" 1
428 1 18 ALA HA 1 22 GLU H 5.000 . 5.000 4.531 3.513 5.126 0.126 5 0 "[ . 1 . 2 ]" 1
429 1 41 MET HA 1 45 LEU H 5.000 . 5.000 4.967 4.251 5.153 0.153 19 0 "[ . 1 . 2 ]" 1
430 1 43 ALA HA 1 47 GLU H 5.000 . 5.000 3.979 3.858 4.165 . 0 0 "[ . 1 . 2 ]" 1
431 1 47 GLU HA 1 51 ASN H 5.000 . 5.000 4.065 3.798 5.199 0.199 13 0 "[ . 1 . 2 ]" 1
432 1 69 ALA HA 1 73 ALA H 5.000 . 5.000 3.990 3.849 5.001 0.001 23 0 "[ . 1 . 2 ]" 1
433 1 70 VAL HA 1 74 ALA H 5.000 . 5.000 3.798 3.627 4.054 . 0 0 "[ . 1 . 2 ]" 1
434 1 71 ALA HA 1 75 GLY H 5.000 . 5.000 4.496 3.690 5.032 0.032 18 0 "[ . 1 . 2 ]" 1
435 1 72 GLU HA 1 76 ILE H 5.000 . 5.000 3.286 2.830 4.167 . 0 0 "[ . 1 . 2 ]" 1
436 1 99 GLN HA 1 103 LYS H 5.000 . 5.000 3.901 3.770 4.032 . 0 0 "[ . 1 . 2 ]" 1
437 1 102 LEU HA 1 106 VAL H 5.000 . 5.000 4.058 3.873 4.288 . 0 0 "[ . 1 . 2 ]" 1
438 1 103 LYS HA 1 107 ALA H 5.000 . 5.000 3.944 3.731 4.187 . 0 0 "[ . 1 . 2 ]" 1
439 1 106 VAL HA 1 110 ALA H 5.000 . 5.000 3.825 3.286 4.680 . 0 0 "[ . 1 . 2 ]" 1
440 1 4 VAL HA 1 59 PHE H 5.000 . 5.000 3.005 2.075 3.553 . 0 0 "[ . 1 . 2 ]" 1
441 1 5 ILE H 1 60 LEU HA 3.500 . 5.000 4.154 3.346 5.024 0.024 16 0 "[ . 1 . 2 ]" 1
442 1 5 ILE H 1 61 LYS H 5.000 . 5.000 4.611 3.684 5.124 0.124 17 0 "[ . 1 . 2 ]" 1
443 1 6 VAL HA 1 61 LYS H 5.000 . 5.000 3.616 2.381 5.299 0.299 7 0 "[ . 1 . 2 ]" 1
444 1 7 ILE H 1 61 LYS H 3.500 . 5.000 3.950 3.080 5.077 0.077 10 0 "[ . 1 . 2 ]" 1
445 1 27 ILE HA 1 58 ILE H 5.000 . 5.000 2.914 2.616 3.195 . 0 0 "[ . 1 . 2 ]" 1
446 1 28 VAL H 1 58 ILE H 5.000 . 5.000 3.572 3.171 4.148 . 0 0 "[ . 1 . 2 ]" 1
447 1 28 VAL H 1 59 PHE HA 3.500 . 3.500 3.087 2.755 3.412 . 0 0 "[ . 1 . 2 ]" 1
448 1 29 VAL HA 1 60 LEU H 3.500 . 3.500 2.812 2.562 3.197 . 0 0 "[ . 1 . 2 ]" 1
449 1 30 ASP H 1 60 LEU H 5.000 . 5.000 3.823 3.211 4.351 . 0 0 "[ . 1 . 2 ]" 1
450 1 30 ASP H 1 61 LYS HA 5.000 . 5.000 2.909 2.308 3.236 . 0 0 "[ . 1 . 2 ]" 1
451 1 31 PHE HA 1 62 VAL H 3.500 . 3.500 3.312 3.022 3.577 0.077 16 0 "[ . 1 . 2 ]" 1
452 1 32 THR H 1 63 ASP HA 5.000 . 5.000 3.455 2.193 4.541 . 0 0 "[ . 1 . 2 ]" 1
453 1 27 ILE H 1 85 TYR H 3.500 . 3.500 3.262 2.846 3.571 0.071 16 0 "[ . 1 . 2 ]" 1
454 1 28 VAL HA 1 84 VAL HA 5.000 . 5.000 2.482 2.240 2.636 . 0 0 "[ . 1 . 2 ]" 1
455 1 29 VAL H 1 84 VAL HA 5.000 . 5.000 3.499 3.186 3.707 . 0 0 "[ . 1 . 2 ]" 1
456 1 29 VAL H 1 83 HIS H 3.500 . 3.500 2.942 2.644 3.308 . 0 0 "[ . 1 . 2 ]" 1
457 1 30 ASP HA 1 82 PHE HA 5.000 . 5.000 2.729 2.370 3.289 . 0 0 "[ . 1 . 2 ]" 1
458 1 31 PHE H 1 82 PHE HA 5.000 . 5.000 3.181 2.956 3.397 . 0 0 "[ . 1 . 2 ]" 1
459 1 81 THR HA 1 96 GLY H 5.000 . 5.000 3.321 2.558 3.713 . 0 0 "[ . 1 . 2 ]" 1
460 1 81 THR HA 1 95 VAL HA 2.900 . 2.900 2.191 2.133 2.312 . 0 0 "[ . 1 . 2 ]" 1
461 1 82 PHE H 1 95 VAL HA 3.500 . 3.500 3.193 2.783 3.506 0.006 19 0 "[ . 1 . 2 ]" 1
462 1 82 PHE H 1 94 LEU H 3.500 . 3.500 3.271 2.975 3.506 0.006 11 0 "[ . 1 . 2 ]" 1
463 1 83 HIS HA 1 94 LEU H 5.000 . 5.000 3.697 3.463 4.280 . 0 0 "[ . 1 . 2 ]" 1
464 1 83 HIS HA 1 93 ASP HA 5.000 . 5.000 2.218 2.087 2.384 . 0 0 "[ . 1 . 2 ]" 1
465 1 84 VAL H 1 93 ASP HA 5.000 . 5.000 3.262 2.798 3.688 . 0 0 "[ . 1 . 2 ]" 1
466 1 84 VAL H 1 92 ASP H 5.000 . 5.000 2.992 2.754 3.364 . 0 0 "[ . 1 . 2 ]" 1
467 1 85 TYR HA 1 92 ASP H 5.000 . 5.000 4.396 3.966 4.968 . 0 0 "[ . 1 . 2 ]" 1
468 1 13 TRP HZ3 1 31 PHE QE 7.000 . 7.000 3.472 2.899 4.016 . 0 0 "[ . 1 . 2 ]" 1
469 1 13 TRP HZ3 1 31 PHE HZ 3.300 . 3.300 3.145 2.343 3.371 0.071 8 0 "[ . 1 . 2 ]" 1
470 1 13 TRP HZ3 1 85 TYR QE 7.000 . 7.000 4.143 2.971 5.739 . 0 0 "[ . 1 . 2 ]" 1
471 1 13 TRP HH2 1 31 PHE QE 5.300 . 5.300 3.703 3.100 4.499 . 0 0 "[ . 1 . 2 ]" 1
472 1 13 TRP HH2 1 85 TYR QE 5.300 . 5.300 3.218 2.414 4.419 . 0 0 "[ . 1 . 2 ]" 1
473 1 13 TRP HH2 1 85 TYR QD 7.000 . 7.000 4.348 3.585 5.059 . 0 0 "[ . 1 . 2 ]" 1
474 1 13 TRP HZ2 1 31 PHE QE 7.000 . 7.000 5.371 4.826 6.011 . 0 0 "[ . 1 . 2 ]" 1
475 1 13 TRP HZ2 1 85 TYR QE 7.000 . 7.000 4.552 3.466 5.765 . 0 0 "[ . 1 . 2 ]" 1
476 1 13 TRP HZ2 1 85 TYR QD 7.000 . 7.000 5.276 4.091 6.315 . 0 0 "[ . 1 . 2 ]" 1
477 1 31 PHE HZ 1 85 TYR QE 5.300 . 5.300 3.784 3.424 4.364 . 0 0 "[ . 1 . 2 ]" 1
478 1 31 PHE QE 1 85 TYR QE 7.300 . 7.300 2.630 2.310 3.936 . 0 0 "[ . 1 . 2 ]" 1
479 1 46 PHE HZ 1 59 PHE QE 7.000 . 7.000 4.967 4.440 5.709 . 0 0 "[ . 1 . 2 ]" 1
480 1 46 PHE HZ 1 59 PHE QD 5.300 . 5.300 3.193 2.563 4.120 . 0 0 "[ . 1 . 2 ]" 1
481 1 46 PHE HZ 1 82 PHE QE 7.000 . 7.000 4.536 3.940 5.183 . 0 0 "[ . 1 . 2 ]" 1
482 1 46 PHE HZ 1 82 PHE QD 7.000 . 7.000 4.059 3.432 4.934 . 0 0 "[ . 1 . 2 ]" 1
483 1 46 PHE QE 1 59 PHE QE 9.000 . 9.000 3.683 2.899 4.361 . 0 0 "[ . 1 . 2 ]" 1
484 1 46 PHE QE 1 59 PHE QD 7.300 . 7.300 2.920 2.463 3.461 . 0 0 "[ . 1 . 2 ]" 1
485 1 46 PHE QE 1 82 PHE HZ 7.000 . 7.000 5.644 5.093 6.299 . 0 0 "[ . 1 . 2 ]" 1
486 1 46 PHE QE 1 82 PHE QE 7.300 . 7.300 3.583 3.154 4.275 . 0 0 "[ . 1 . 2 ]" 1
487 1 46 PHE QE 1 82 PHE QD 7.300 . 7.300 3.079 2.403 3.826 . 0 0 "[ . 1 . 2 ]" 1
488 1 46 PHE QD 1 59 PHE QE 9.000 . 9.000 3.717 3.010 4.900 . 0 0 "[ . 1 . 2 ]" 1
489 1 46 PHE QD 1 59 PHE QD 7.300 . 7.300 3.468 2.888 4.225 . 0 0 "[ . 1 . 2 ]" 1
490 1 46 PHE QD 1 82 PHE HZ 7.000 . 7.000 4.590 3.885 5.597 . 0 0 "[ . 1 . 2 ]" 1
491 1 46 PHE QD 1 82 PHE QE 7.300 . 7.300 3.023 2.422 3.677 . 0 0 "[ . 1 . 2 ]" 1
492 1 46 PHE QD 1 82 PHE QD 7.300 . 7.300 3.888 3.137 4.304 . 0 0 "[ . 1 . 2 ]" 1
493 1 53 TYR QD 1 59 PHE HZ 5.300 . 5.300 2.629 2.248 3.311 . 0 0 "[ . 1 . 2 ]" 1
494 1 53 TYR QD 1 59 PHE QE 9.000 . 9.000 3.600 2.639 4.080 . 0 0 "[ . 1 . 2 ]" 1
495 1 53 TYR QD 1 59 PHE QD 9.000 . 9.000 5.377 4.553 5.879 . 0 0 "[ . 1 . 2 ]" 1
496 1 4 VAL HA 1 59 PHE HA 5.000 . 5.000 4.757 4.367 5.089 0.089 7 0 "[ . 1 . 2 ]" 1
497 1 4 VAL QG 1 50 SER HB3 6.000 . 6.000 2.227 1.828 3.899 . 0 0 "[ . 1 . 2 ]" 1
498 1 4 VAL QG 1 50 SER HA 6.000 . 6.000 2.963 2.189 3.413 . 0 0 "[ . 1 . 2 ]" 1
499 1 4 VAL HA 1 5 ILE MG 6.000 . 6.000 4.362 3.689 5.180 . 0 0 "[ . 1 . 2 ]" 1
500 1 5 ILE HB 1 7 ILE HB 5.000 . 5.000 4.202 2.258 5.122 0.122 7 0 "[ . 1 . 2 ]" 1
501 1 4 VAL HA 1 5 ILE QG 5.000 . 5.000 4.320 3.635 4.863 . 0 0 "[ . 1 . 2 ]" 1
502 1 7 ILE MG 1 8 ASP HA 6.000 . 6.000 4.035 3.293 4.656 . 0 0 "[ . 1 . 2 ]" 1
503 1 7 ILE QG 1 9 SER HA 5.000 . 5.000 4.614 3.369 4.955 . 0 0 "[ . 1 . 2 ]" 1
504 1 8 ASP HA 1 9 SER HA 5.000 . 5.000 4.664 4.284 5.103 0.103 4 0 "[ . 1 . 2 ]" 1
505 1 31 PHE HZ 1 83 HIS HE1 5.000 . 5.000 4.988 4.735 5.057 0.057 6 0 "[ . 1 . 2 ]" 1
506 1 10 LYS HA 1 10 LYS QE 6.000 . 6.000 4.646 4.061 5.445 . 0 0 "[ . 1 . 2 ]" 1
507 1 9 SER HA 1 10 LYS HB3 5.000 . 5.000 4.753 4.194 5.687 0.687 4 2 "[ +- 1 . 2 ]" 1
508 1 9 SER QB 1 10 LYS HB3 6.000 . 6.000 5.028 3.621 6.090 0.090 5 0 "[ . 1 . 2 ]" 1
509 1 10 LYS HA 1 10 LYS HD2 5.000 . 5.000 4.401 2.227 5.588 0.588 11 2 "[ . - 1+ . 2 ]" 1
510 1 10 LYS HB3 1 13 TRP HB3 5.000 . 5.000 4.880 4.275 5.438 0.438 20 0 "[ . 1 . 2 ]" 1
511 1 7 ILE HB 1 12 ALA MB 6.000 . 6.000 3.945 2.695 4.741 . 0 0 "[ . 1 . 2 ]" 1
512 1 13 TRP HD1 1 14 ASP HA 5.000 . 5.000 3.308 2.685 3.965 . 0 0 "[ . 1 . 2 ]" 1
513 1 10 LYS HA 1 13 TRP HD1 5.000 . 5.000 3.800 2.585 4.975 . 0 0 "[ . 1 . 2 ]" 1
514 1 13 TRP HZ3 1 29 VAL MG1 6.000 . 6.000 2.505 2.053 3.839 . 0 0 "[ . 1 . 2 ]" 1
515 1 13 TRP HE3 1 60 LEU QD 6.000 . 6.000 2.815 2.127 4.196 . 0 0 "[ . 1 . 2 ]" 1
516 1 13 TRP HD1 1 70 VAL MG1 6.000 . 6.000 4.541 3.745 4.900 . 0 0 "[ . 1 . 2 ]" 1
517 1 13 TRP HZ3 1 62 VAL QG 6.000 . 6.000 2.931 2.133 3.676 . 0 0 "[ . 1 . 2 ]" 1
518 1 13 TRP HH2 1 29 VAL MG2 6.000 . 6.000 3.628 2.680 4.637 . 0 0 "[ . 1 . 2 ]" 1
519 1 13 TRP HZ3 1 29 VAL MG2 6.000 . 6.000 2.309 2.041 3.206 . 0 0 "[ . 1 . 2 ]" 1
520 1 13 TRP HD1 1 70 VAL MG2 6.000 . 6.000 4.058 3.086 4.937 . 0 0 "[ . 1 . 2 ]" 1
521 1 13 TRP HH2 1 70 VAL MG2 6.000 . 6.000 5.516 4.894 6.367 0.367 1 0 "[ . 1 . 2 ]" 1
522 1 13 TRP HD1 1 14 ASP HB2 5.000 . 5.000 3.778 2.489 5.007 0.007 19 0 "[ . 1 . 2 ]" 1
523 1 13 TRP HE3 1 29 VAL MG2 6.000 . 6.000 3.474 2.306 4.535 . 0 0 "[ . 1 . 2 ]" 1
524 1 13 TRP HZ2 1 74 ALA MB 6.000 . 6.000 4.518 3.901 4.871 . 0 0 "[ . 1 . 2 ]" 1
525 1 13 TRP HZ3 1 29 VAL HB 5.000 . 5.000 3.689 2.386 4.416 . 0 0 "[ . 1 . 2 ]" 1
526 1 13 TRP HZ3 1 62 VAL HB 5.000 . 5.000 4.768 3.809 5.066 0.066 20 0 "[ . 1 . 2 ]" 1
527 1 13 TRP HZ2 1 17 LEU MD2 6.000 . 6.000 4.473 2.812 6.348 0.348 15 0 "[ . 1 . 2 ]" 1
528 1 13 TRP HZ2 1 70 VAL MG2 6.000 . 6.000 4.730 3.789 5.931 . 0 0 "[ . 1 . 2 ]" 1
529 1 16 GLN H 1 16 GLN QG 5.000 . 5.000 3.607 2.318 4.129 . 0 0 "[ . 1 . 2 ]" 1
530 1 16 GLN H 1 60 LEU QD 6.000 . 6.000 4.290 3.790 4.717 . 0 0 "[ . 1 . 2 ]" 1
531 1 16 GLN QG 1 20 GLY QA 6.000 . 6.000 4.527 3.882 5.223 . 0 0 "[ . 1 . 2 ]" 1
532 1 3 SER HB2 1 16 GLN QG 5.000 . 5.000 3.900 2.566 5.265 0.265 7 0 "[ . 1 . 2 ]" 1
533 1 14 ASP HA 1 17 LEU HG 5.000 . 5.000 4.245 2.477 5.057 0.057 15 0 "[ . 1 . 2 ]" 1
534 1 17 LEU HA 1 20 GLY QA 6.000 . 6.000 4.031 3.181 4.944 . 0 0 "[ . 1 . 2 ]" 1
535 1 14 ASP HB3 1 17 LEU QB 5.000 . 5.000 4.665 4.080 5.569 0.569 17 1 "[ . 1 . + 2 ]" 1
536 1 17 LEU MD2 1 85 TYR HB3 6.000 . 6.000 4.615 2.458 6.993 0.993 18 1 "[ . 1 . + 2 ]" 1
537 1 17 LEU MD1 1 27 ILE MD 7.000 . 7.000 3.210 1.886 6.102 . 0 0 "[ . 1 . 2 ]" 1
538 1 14 ASP HA 1 17 LEU QB 5.000 . 5.000 2.554 2.198 3.518 . 0 0 "[ . 1 . 2 ]" 1
539 1 17 LEU HA 1 18 ALA MB 6.000 . 6.000 5.008 4.896 5.040 . 0 0 "[ . 1 . 2 ]" 1
540 1 19 LYS HG3 1 20 GLY QA 6.000 . 6.000 3.389 3.136 3.748 . 0 0 "[ . 1 . 2 ]" 1
541 1 16 GLN QG 1 19 LYS QD 6.000 . 6.000 3.726 2.805 4.803 . 0 0 "[ . 1 . 2 ]" 1
542 1 21 LYS HA 1 21 LYS QE 6.000 . 6.000 4.275 2.325 5.295 . 0 0 "[ . 1 . 2 ]" 1
543 1 19 LYS HA 1 21 LYS QE 6.000 . 6.000 4.456 2.789 5.314 . 0 0 "[ . 1 . 2 ]" 1
544 1 22 GLU QG 1 87 ASP HA 5.000 . 5.000 3.955 2.354 4.778 . 0 0 "[ . 1 . 2 ]" 1
545 1 24 HIS HA 1 24 HIS HD2 5.000 . 5.000 3.659 2.282 4.605 . 0 0 "[ . 1 . 2 ]" 1
546 1 24 HIS HD2 1 26 PRO HD3 5.000 . 5.000 4.673 4.078 5.060 0.060 5 0 "[ . 1 . 2 ]" 1
547 1 24 HIS HA 1 25 LYS HA 5.000 . 5.000 4.510 4.155 4.765 . 0 0 "[ . 1 . 2 ]" 1
548 1 25 LYS HA 1 25 LYS QE 5.000 . 5.000 4.235 2.324 4.795 . 0 0 "[ . 1 . 2 ]" 1
549 1 25 LYS QD 1 56 LYS QE 7.000 . 7.000 4.404 2.217 5.578 . 0 0 "[ . 1 . 2 ]" 1
550 1 25 LYS HB3 1 26 PRO HG2 5.000 . 5.000 4.563 3.558 5.853 0.853 23 3 "[ - . 1 . * +]" 1
551 1 25 LYS HB2 1 26 PRO HD3 5.000 . 5.000 4.784 3.600 5.427 0.427 11 0 "[ . 1 . 2 ]" 1
552 1 25 LYS HA 1 26 PRO HG2 5.000 . 5.000 4.430 4.230 4.636 . 0 0 "[ . 1 . 2 ]" 1
553 1 25 LYS HA 1 26 PRO HG3 5.000 . 5.000 4.604 4.466 4.779 . 0 0 "[ . 1 . 2 ]" 1
554 1 25 LYS HA 1 26 PRO HA 5.000 . 5.000 4.485 4.345 4.607 . 0 0 "[ . 1 . 2 ]" 1
555 1 26 PRO HA 1 27 ILE HA 5.000 . 5.000 4.450 4.385 4.537 . 0 0 "[ . 1 . 2 ]" 1
556 1 27 ILE H 1 84 VAL MG2 6.000 . 6.000 5.358 3.617 5.771 . 0 0 "[ . 1 . 2 ]" 1
557 1 27 ILE H 1 84 VAL HA 5.000 . 5.000 4.345 3.946 4.812 . 0 0 "[ . 1 . 2 ]" 1
558 1 27 ILE H 1 85 TYR HB2 5.000 . 5.000 4.177 3.786 5.011 0.011 9 0 "[ . 1 . 2 ]" 1
559 1 27 ILE H 1 86 LYS QG 5.000 . 5.000 4.005 2.742 4.841 . 0 0 "[ . 1 . 2 ]" 1
560 1 27 ILE MD 1 85 TYR HB2 6.000 . 6.000 3.254 2.202 4.405 . 0 0 "[ . 1 . 2 ]" 1
561 1 27 ILE MG 1 85 TYR HB2 6.000 . 6.000 3.174 2.447 4.730 . 0 0 "[ . 1 . 2 ]" 1
562 1 27 ILE HG12 1 85 TYR HB2 5.000 . 5.000 4.367 2.230 5.503 0.503 7 1 "[ . + 1 . 2 ]" 1
563 1 27 ILE MD 1 85 TYR HB3 6.000 . 6.000 3.728 2.769 5.086 . 0 0 "[ . 1 . 2 ]" 1
564 1 22 GLU QG 1 27 ILE HG12 5.000 . 5.000 3.801 2.196 5.067 0.067 1 0 "[ . 1 . 2 ]" 1
565 1 28 VAL H 1 58 ILE HB 5.000 . 5.000 3.701 3.340 3.985 . 0 0 "[ . 1 . 2 ]" 1
566 1 27 ILE MG 1 28 VAL H 6.000 . 6.000 3.456 2.752 4.363 . 0 0 "[ . 1 . 2 ]" 1
567 1 28 VAL H 1 60 LEU QB 5.000 . 5.000 4.743 3.632 4.975 . 0 0 "[ . 1 . 2 ]" 1
568 1 28 VAL MG1 1 82 PHE HA 6.000 . 6.000 4.565 3.692 6.589 0.589 6 1 "[ .+ 1 . 2 ]" 1
569 1 28 VAL MG1 1 84 VAL HA 6.000 . 6.000 3.927 3.408 5.261 . 0 0 "[ . 1 . 2 ]" 1
570 1 28 VAL HB 1 59 PHE HA 5.000 . 5.000 3.083 2.367 4.978 . 0 0 "[ . 1 . 2 ]" 1
571 1 28 VAL MG1 1 59 PHE HA 6.000 . 6.000 3.775 2.098 4.455 . 0 0 "[ . 1 . 2 ]" 1
572 1 28 VAL MG2 1 59 PHE HA 6.000 . 6.000 4.003 3.426 4.339 . 0 0 "[ . 1 . 2 ]" 1
573 1 28 VAL MG2 1 106 VAL HA 6.000 . 6.000 3.497 2.924 5.018 . 0 0 "[ . 1 . 2 ]" 1
574 1 28 VAL MG1 1 82 PHE HB3 6.000 . 6.000 3.705 2.560 5.954 . 0 0 "[ . 1 . 2 ]" 1
575 1 26 PRO HG2 1 28 VAL MG2 6.000 . 6.000 3.957 2.719 6.719 0.719 6 2 "[ .+- 1 . 2 ]" 1
576 1 28 VAL MG1 1 106 VAL MG2 7.000 . 7.000 2.482 2.201 3.030 . 0 0 "[ . 1 . 2 ]" 1
577 1 28 VAL MG2 1 106 VAL MG2 7.000 . 7.000 2.342 1.965 3.133 . 0 0 "[ . 1 . 2 ]" 1
578 1 28 VAL H 1 84 VAL MG2 6.000 . 6.000 5.290 4.466 5.719 . 0 0 "[ . 1 . 2 ]" 1
579 1 28 VAL HA 1 29 VAL HB 5.000 . 5.000 4.752 4.406 5.005 0.005 22 0 "[ . 1 . 2 ]" 1
580 1 29 VAL HB 1 83 HIS HB2 5.000 . 5.000 3.634 2.168 5.014 0.014 23 0 "[ . 1 . 2 ]" 1
581 1 29 VAL MG2 1 83 HIS HB2 6.000 . 6.000 3.667 2.635 4.426 . 0 0 "[ . 1 . 2 ]" 1
582 1 29 VAL MG2 1 62 VAL QG 7.000 . 7.000 2.788 1.926 3.969 . 0 0 "[ . 1 . 2 ]" 1
583 1 29 VAL H 1 82 PHE HA 5.000 . 5.000 4.410 4.045 4.667 . 0 0 "[ . 1 . 2 ]" 1
584 1 29 VAL H 1 84 VAL MG2 6.000 . 6.000 4.153 3.921 4.488 . 0 0 "[ . 1 . 2 ]" 1
585 1 30 ASP H 1 46 PHE HZ 5.000 . 5.000 3.170 2.859 3.455 . 0 0 "[ . 1 . 2 ]" 1
586 1 29 VAL MG2 1 30 ASP H 6.000 . 6.000 3.279 2.294 4.430 . 0 0 "[ . 1 . 2 ]" 1
587 1 30 ASP H 1 46 PHE QE 7.000 . 7.000 3.376 2.699 3.882 . 0 0 "[ . 1 . 2 ]" 1
588 1 29 VAL HA 1 30 ASP HB2 5.000 . 5.000 4.670 4.313 4.956 . 0 0 "[ . 1 . 2 ]" 1
589 1 31 PHE QD 1 82 PHE HA 7.000 . 7.000 3.934 3.508 4.295 . 0 0 "[ . 1 . 2 ]" 1
590 1 31 PHE H 1 81 THR HA 5.000 . 5.000 4.958 4.827 5.038 0.038 7 0 "[ . 1 . 2 ]" 1
591 1 31 PHE QD 1 81 THR HB 7.000 . 7.000 3.855 3.490 4.256 . 0 0 "[ . 1 . 2 ]" 1
592 1 31 PHE QE 1 71 ALA HA 7.000 . 7.000 3.043 2.359 4.127 . 0 0 "[ . 1 . 2 ]" 1
593 1 31 PHE QE 1 83 HIS HB3 7.000 . 7.000 3.687 3.143 4.928 . 0 0 "[ . 1 . 2 ]" 1
594 1 31 PHE QE 1 83 HIS HB2 7.000 . 7.000 2.563 2.298 3.610 . 0 0 "[ . 1 . 2 ]" 1
595 1 29 VAL HB 1 31 PHE QE 7.000 . 7.000 3.998 2.467 5.358 . 0 0 "[ . 1 . 2 ]" 1
596 1 31 PHE QD 1 62 VAL HB 7.000 . 7.000 3.032 2.425 5.034 . 0 0 "[ . 1 . 2 ]" 1
597 1 31 PHE QE 1 74 ALA MB 8.000 . 8.000 2.912 2.703 3.011 . 0 0 "[ . 1 . 2 ]" 1
598 1 29 VAL MG1 1 31 PHE QE 8.000 . 8.000 2.499 2.174 3.005 . 0 0 "[ . 1 . 2 ]" 1
599 1 29 VAL MG1 1 31 PHE HZ 6.000 . 6.000 3.265 2.604 3.878 . 0 0 "[ . 1 . 2 ]" 1
600 1 31 PHE QD 1 76 ILE MG 8.000 . 8.000 3.975 3.494 4.697 . 0 0 "[ . 1 . 2 ]" 1
601 1 31 PHE QD 1 62 VAL QG 8.000 . 8.000 2.380 2.205 2.761 . 0 0 "[ . 1 . 2 ]" 1
602 1 31 PHE QE 1 62 VAL QG 8.000 . 8.000 2.537 2.199 2.977 . 0 0 "[ . 1 . 2 ]" 1
603 1 29 VAL MG2 1 31 PHE QE 8.000 . 8.000 3.287 2.842 4.139 . 0 0 "[ . 1 . 2 ]" 1
604 1 31 PHE HZ 1 70 VAL MG2 6.000 . 6.000 5.385 4.761 6.481 0.481 18 0 "[ . 1 . 2 ]" 1
605 1 31 PHE QD 1 76 ILE MD 8.000 . 8.000 2.780 2.528 3.146 . 0 0 "[ . 1 . 2 ]" 1
606 1 31 PHE QE 1 76 ILE MD 8.000 . 8.000 2.847 2.491 3.223 . 0 0 "[ . 1 . 2 ]" 1
607 1 31 PHE H 1 82 PHE QD 7.000 . 7.000 4.531 3.987 4.948 . 0 0 "[ . 1 . 2 ]" 1
608 1 31 PHE H 1 81 THR HB 5.000 . 5.000 4.058 3.811 4.325 . 0 0 "[ . 1 . 2 ]" 1
609 1 31 PHE HZ 1 74 ALA HA 5.000 . 5.000 4.989 4.623 5.061 0.061 10 0 "[ . 1 . 2 ]" 1
610 1 30 ASP HA 1 31 PHE QD 7.000 . 7.000 4.481 4.200 4.824 . 0 0 "[ . 1 . 2 ]" 1
611 1 31 PHE QE 1 81 THR HB 7.000 . 7.000 5.692 5.264 6.120 . 0 0 "[ . 1 . 2 ]" 1
612 1 31 PHE QD 1 71 ALA HA 7.000 . 7.000 3.585 3.114 4.072 . 0 0 "[ . 1 . 2 ]" 1
613 1 30 ASP HB2 1 31 PHE H 5.000 . 5.000 4.503 4.350 4.628 . 0 0 "[ . 1 . 2 ]" 1
614 1 31 PHE HZ 1 62 VAL QG 6.000 . 6.000 3.971 3.228 4.459 . 0 0 "[ . 1 . 2 ]" 1
615 1 31 PHE HZ 1 76 ILE MD 6.000 . 6.000 3.584 3.119 3.942 . 0 0 "[ . 1 . 2 ]" 1
616 1 29 VAL MG2 1 31 PHE HZ 6.000 . 6.000 3.831 2.785 4.819 . 0 0 "[ . 1 . 2 ]" 1
617 1 31 PHE QE 1 70 VAL HB 7.000 . 7.000 3.314 2.665 4.295 . 0 0 "[ . 1 . 2 ]" 1
618 1 31 PHE QE 1 62 VAL HB 7.000 . 7.000 3.994 3.270 5.171 . 0 0 "[ . 1 . 2 ]" 1
619 1 31 PHE HB3 1 81 THR HB 5.000 . 5.000 3.467 2.815 3.893 . 0 0 "[ . 1 . 2 ]" 1
620 1 31 PHE H 1 46 PHE QE 7.000 . 7.000 6.247 5.701 6.543 . 0 0 "[ . 1 . 2 ]" 1
621 1 32 THR HA 1 79 MET HA 5.000 . 5.000 4.075 3.113 4.897 . 0 0 "[ . 1 . 2 ]" 1
622 1 31 PHE HA 1 32 THR HB 5.000 . 5.000 4.706 4.257 4.899 . 0 0 "[ . 1 . 2 ]" 1
623 1 32 THR MG 1 33 ALA HA 6.000 . 6.000 3.878 3.351 4.361 . 0 0 "[ . 1 . 2 ]" 1
624 1 32 THR MG 1 40 LYS HA 6.000 . 6.000 3.417 2.300 4.919 . 0 0 "[ . 1 . 2 ]" 1
625 1 34 THR MG 1 40 LYS HE2 6.000 . 6.000 4.175 2.458 6.055 0.055 22 0 "[ . 1 . 2 ]" 1
626 1 34 THR MG 1 63 ASP HB2 6.000 . 6.000 3.785 2.369 5.994 . 0 0 "[ . 1 . 2 ]" 1
627 1 35 TRP HD1 1 65 ASP HA 5.000 . 5.000 5.030 4.779 5.133 0.133 6 0 "[ . 1 . 2 ]" 1
628 1 35 TRP HA 1 35 TRP HD1 5.000 . 5.000 4.257 3.317 4.521 . 0 0 "[ . 1 . 2 ]" 1
629 1 35 TRP HZ3 1 36 CYS HA 5.000 . 5.000 4.169 3.306 5.075 0.075 18 0 "[ . 1 . 2 ]" 1
630 1 35 TRP HA 1 35 TRP HE3 5.000 . 5.000 4.293 2.706 4.661 . 0 0 "[ . 1 . 2 ]" 1
631 1 35 TRP HE3 1 36 CYS HB3 5.000 . 5.000 4.154 2.567 5.162 0.162 22 0 "[ . 1 . 2 ]" 1
632 1 34 THR MG 1 35 TRP HD1 6.000 . 6.000 4.840 4.502 5.094 . 0 0 "[ . 1 . 2 ]" 1
633 1 38 PRO HA 1 41 MET HG3 5.000 . 5.000 3.353 2.511 4.959 . 0 0 "[ . 1 . 2 ]" 1
634 1 38 PRO HA 1 41 MET HG2 5.000 . 5.000 3.808 2.200 5.009 0.009 14 0 "[ . 1 . 2 ]" 1
635 1 42 ILE MG 1 97 ALA HA 6.000 . 6.000 3.215 2.452 4.232 . 0 0 "[ . 1 . 2 ]" 1
636 1 42 ILE MD 1 97 ALA HA 6.000 . 6.000 2.702 2.037 4.527 . 0 0 "[ . 1 . 2 ]" 1
637 1 42 ILE MD 1 80 PRO HD3 6.000 . 6.000 3.795 2.360 5.069 . 0 0 "[ . 1 . 2 ]" 1
638 1 41 MET QB 1 42 ILE HG12 6.000 . 6.000 4.812 3.526 5.708 . 0 0 "[ . 1 . 2 ]" 1
639 1 42 ILE HB 1 43 ALA HA 5.000 . 5.000 4.457 4.138 4.698 . 0 0 "[ . 1 . 2 ]" 1
640 1 42 ILE MD 1 97 ALA MB 7.000 . 7.000 2.068 1.921 2.367 . 0 0 "[ . 1 . 2 ]" 1
641 1 42 ILE MG 1 43 ALA HA 6.000 . 6.000 3.589 3.384 3.874 . 0 0 "[ . 1 . 2 ]" 1
642 1 43 ALA MB 1 44 PRO HD2 6.000 . 6.000 2.550 2.343 2.857 . 0 0 "[ . 1 . 2 ]" 1
643 1 45 LEU HB3 1 46 PHE QB 5.000 . 5.000 4.497 4.123 4.765 . 0 0 "[ . 1 . 2 ]" 1
644 1 45 LEU HB2 1 46 PHE QB 5.000 . 5.000 4.056 3.711 4.451 . 0 0 "[ . 1 . 2 ]" 1
645 1 45 LEU MD1 1 99 GLN HG3 6.000 . 6.000 3.978 2.613 5.552 . 0 0 "[ . 1 . 2 ]" 1
646 1 45 LEU HB3 1 46 PHE HA 5.000 . 5.000 4.239 3.965 4.493 . 0 0 "[ . 1 . 2 ]" 1
647 1 44 PRO HG2 1 45 LEU HG 5.000 . 5.000 4.290 3.008 5.068 0.068 18 0 "[ . 1 . 2 ]" 1
648 1 45 LEU MD2 1 48 THR MG 7.000 . 7.000 4.516 2.454 5.950 . 0 0 "[ . 1 . 2 ]" 1
649 1 46 PHE HZ 1 59 PHE HA 5.000 . 5.000 3.134 2.854 3.523 . 0 0 "[ . 1 . 2 ]" 1
650 1 46 PHE QE 1 59 PHE HA 7.000 . 7.000 3.856 3.514 4.352 . 0 0 "[ . 1 . 2 ]" 1
651 1 29 VAL HA 1 46 PHE HZ 5.000 . 5.000 3.405 2.740 3.864 . 0 0 "[ . 1 . 2 ]" 1
652 1 92 ASP HA 1 109 HIS HE1 5.000 . 5.000 4.892 4.540 5.050 0.050 13 0 "[ . 1 . 2 ]" 1
653 1 43 ALA HA 1 46 PHE QD 7.000 . 7.000 3.680 3.129 4.471 . 0 0 "[ . 1 . 2 ]" 1
654 1 46 PHE QE 1 59 PHE HB2 7.000 . 7.000 4.469 4.065 5.041 . 0 0 "[ . 1 . 2 ]" 1
655 1 30 ASP HB2 1 46 PHE QD 7.000 . 7.000 3.357 3.058 3.792 . 0 0 "[ . 1 . 2 ]" 1
656 1 30 ASP HB2 1 46 PHE QE 7.000 . 7.000 2.993 2.744 3.160 . 0 0 "[ . 1 . 2 ]" 1
657 1 46 PHE QE 1 61 LYS QB 8.000 . 8.000 3.516 2.243 4.605 . 0 0 "[ . 1 . 2 ]" 1
658 1 28 VAL MG1 1 46 PHE HZ 6.000 . 6.000 2.687 2.285 3.629 . 0 0 "[ . 1 . 2 ]" 1
659 1 28 VAL MG1 1 46 PHE QD 8.000 . 8.000 3.918 3.748 4.142 . 0 0 "[ . 1 . 2 ]" 1
660 1 28 VAL MG1 1 46 PHE QE 8.000 . 8.000 2.148 2.039 2.428 . 0 0 "[ . 1 . 2 ]" 1
661 1 46 PHE QD 1 102 LEU MD1 8.000 . 8.000 2.693 2.032 3.922 . 0 0 "[ . 1 . 2 ]" 1
662 1 46 PHE QD 1 102 LEU MD2 8.000 . 8.000 2.348 1.982 3.424 . 0 0 "[ . 1 . 2 ]" 1
663 1 46 PHE QE 1 102 LEU MD2 8.000 . 8.000 2.949 2.329 3.801 . 0 0 "[ . 1 . 2 ]" 1
664 1 30 ASP HA 1 46 PHE HZ 5.000 . 5.000 4.585 4.142 4.915 . 0 0 "[ . 1 . 2 ]" 1
665 1 46 PHE QD 1 59 PHE HA 7.000 . 7.000 5.633 5.180 6.176 . 0 0 "[ . 1 . 2 ]" 1
666 1 29 VAL HA 1 46 PHE QE 7.000 . 7.000 4.246 3.771 4.658 . 0 0 "[ . 1 . 2 ]" 1
667 1 30 ASP HA 1 46 PHE QE 7.000 . 7.000 4.484 3.847 4.785 . 0 0 "[ . 1 . 2 ]" 1
668 1 46 PHE QD 1 47 GLU HA 7.000 . 7.000 3.925 3.075 4.716 . 0 0 "[ . 1 . 2 ]" 1
669 1 46 PHE QE 1 47 GLU HA 7.000 . 7.000 5.226 4.496 5.869 . 0 0 "[ . 1 . 2 ]" 1
670 1 46 PHE HZ 1 59 PHE HB3 5.000 . 5.000 3.369 2.930 3.618 . 0 0 "[ . 1 . 2 ]" 1
671 1 46 PHE HZ 1 59 PHE HB2 5.000 . 5.000 4.942 4.550 5.073 0.073 19 0 "[ . 1 . 2 ]" 1
672 1 30 ASP HB2 1 46 PHE HZ 5.000 . 5.000 3.223 2.830 3.435 . 0 0 "[ . 1 . 2 ]" 1
673 1 46 PHE QD 1 59 PHE HB2 7.000 . 7.000 5.517 4.934 6.171 . 0 0 "[ . 1 . 2 ]" 1
674 1 29 VAL MG2 1 46 PHE HZ 6.000 . 6.000 4.994 4.473 5.354 . 0 0 "[ . 1 . 2 ]" 1
675 1 29 VAL MG2 1 46 PHE QE 8.000 . 8.000 5.249 4.538 5.869 . 0 0 "[ . 1 . 2 ]" 1
676 1 46 PHE HZ 1 102 LEU MD2 6.000 . 6.000 4.905 4.432 5.669 . 0 0 "[ . 1 . 2 ]" 1
677 1 28 VAL MG2 1 46 PHE HZ 6.000 . 6.000 4.297 2.601 5.039 . 0 0 "[ . 1 . 2 ]" 1
678 1 30 ASP HB3 1 46 PHE QE 7.000 . 7.000 2.853 2.438 3.493 . 0 0 "[ . 1 . 2 ]" 1
679 1 46 PHE QD 1 61 LYS HD2 7.000 . 7.000 4.339 2.540 6.201 . 0 0 "[ . 1 . 2 ]" 1
680 1 46 PHE QE 1 61 LYS HD2 7.000 . 7.000 4.910 2.908 6.768 . 0 0 "[ . 1 . 2 ]" 1
681 1 45 LEU HA 1 46 PHE HA 5.000 . 5.000 4.847 4.774 4.912 . 0 0 "[ . 1 . 2 ]" 1
682 1 47 GLU HA 1 48 THR HA 5.000 . 5.000 4.838 4.766 4.873 . 0 0 "[ . 1 . 2 ]" 1
683 1 49 LEU H 1 49 LEU HG 5.000 . 5.000 3.736 2.077 4.591 . 0 0 "[ . 1 . 2 ]" 1
684 1 49 LEU MD1 1 103 LYS QE 7.000 . 7.000 3.731 2.444 5.458 . 0 0 "[ . 1 . 2 ]" 1
685 1 49 LEU MD1 1 106 VAL HB 6.000 . 6.000 4.405 2.507 6.446 0.446 8 0 "[ . 1 . 2 ]" 1
686 1 46 PHE HA 1 49 LEU MD2 6.000 . 6.000 3.753 2.435 5.260 . 0 0 "[ . 1 . 2 ]" 1
687 1 50 SER HB3 1 51 ASN HA 5.000 . 5.000 4.711 4.091 5.688 0.688 17 1 "[ . 1 . + 2 ]" 1
688 1 50 SER HA 1 51 ASN HA 5.000 . 5.000 4.817 4.706 4.895 . 0 0 "[ . 1 . 2 ]" 1
689 1 50 SER HA 1 54 ALA HA 5.000 . 5.000 4.920 4.423 5.116 0.116 19 0 "[ . 1 . 2 ]" 1
690 1 4 VAL HA 1 50 SER HB2 5.000 . 5.000 4.365 3.190 5.295 0.295 8 0 "[ . 1 . 2 ]" 1
691 1 51 ASN QB 1 52 ASP HA 6.000 . 6.000 4.126 3.832 4.362 . 0 0 "[ . 1 . 2 ]" 1
692 1 51 ASN HA 1 52 ASP HA 5.000 . 5.000 4.859 4.732 4.961 . 0 0 "[ . 1 . 2 ]" 1
693 1 49 LEU HA 1 53 TYR QD 7.000 . 7.000 3.524 2.868 4.424 . 0 0 "[ . 1 . 2 ]" 1
694 1 49 LEU HA 1 53 TYR QE 7.000 . 7.000 4.376 3.835 5.066 . 0 0 "[ . 1 . 2 ]" 1
695 1 52 ASP QB 1 53 TYR QD 7.000 . 7.000 2.740 2.336 3.149 . 0 0 "[ . 1 . 2 ]" 1
696 1 52 ASP QB 1 53 TYR QE 7.000 . 7.000 3.941 3.385 4.630 . 0 0 "[ . 1 . 2 ]" 1
697 1 26 PRO HG2 1 53 TYR QD 7.000 . 7.000 5.893 5.190 6.497 . 0 0 "[ . 1 . 2 ]" 1
698 1 26 PRO HG3 1 53 TYR QD 7.000 . 7.000 5.669 4.341 6.346 . 0 0 "[ . 1 . 2 ]" 1
699 1 53 TYR QD 1 57 VAL HB 7.000 . 7.000 4.417 3.257 5.395 . 0 0 "[ . 1 . 2 ]" 1
700 1 53 TYR QE 1 106 VAL HB 7.000 . 7.000 3.490 2.481 4.886 . 0 0 "[ . 1 . 2 ]" 1
701 1 49 LEU HB3 1 53 TYR QE 7.000 . 7.000 4.029 2.428 5.630 . 0 0 "[ . 1 . 2 ]" 1
702 1 49 LEU MD1 1 53 TYR QD 8.000 . 8.000 3.787 2.453 5.252 . 0 0 "[ . 1 . 2 ]" 1
703 1 49 LEU MD1 1 53 TYR QE 8.000 . 8.000 3.182 2.046 4.946 . 0 0 "[ . 1 . 2 ]" 1
704 1 49 LEU MD2 1 53 TYR QE 8.000 . 8.000 3.230 2.169 5.068 . 0 0 "[ . 1 . 2 ]" 1
705 1 53 TYR QD 1 57 VAL MG1 8.000 . 8.000 3.645 2.248 4.340 . 0 0 "[ . 1 . 2 ]" 1
706 1 53 TYR QE 1 106 VAL MG1 8.000 . 8.000 2.646 2.347 2.954 . 0 0 "[ . 1 . 2 ]" 1
707 1 53 TYR QE 1 59 PHE HZ 7.000 . 7.000 3.903 3.033 4.692 . 0 0 "[ . 1 . 2 ]" 1
708 1 52 ASP HA 1 53 TYR QD 7.000 . 7.000 5.241 4.778 5.587 . 0 0 "[ . 1 . 2 ]" 1
709 1 53 TYR QE 1 106 VAL HA 7.000 . 7.000 5.310 4.944 5.954 . 0 0 "[ . 1 . 2 ]" 1
710 1 49 LEU HB3 1 53 TYR QD 7.000 . 7.000 3.498 2.119 4.965 . 0 0 "[ . 1 . 2 ]" 1
711 1 26 PRO HG3 1 53 TYR QE 7.000 . 7.000 5.941 5.092 6.621 . 0 0 "[ . 1 . 2 ]" 1
712 1 49 LEU HG 1 53 TYR QE 7.000 . 7.000 3.668 2.336 4.992 . 0 0 "[ . 1 . 2 ]" 1
713 1 49 LEU HB2 1 53 TYR QE 7.000 . 7.000 5.067 4.025 5.482 . 0 0 "[ . 1 . 2 ]" 1
714 1 49 LEU HG 1 53 TYR QD 7.000 . 7.000 3.864 2.157 5.137 . 0 0 "[ . 1 . 2 ]" 1
715 1 53 TYR QE 1 59 PHE QD 9.000 . 9.000 6.603 5.913 7.238 . 0 0 "[ . 1 . 2 ]" 1
716 1 56 LYS HA 1 56 LYS QE 6.000 . 6.000 4.325 2.154 5.464 . 0 0 "[ . 1 . 2 ]" 1
717 1 25 LYS QE 1 56 LYS QB 5.000 . 5.000 3.629 2.321 4.632 . 0 0 "[ . 1 . 2 ]" 1
718 1 56 LYS QB 1 56 LYS HD3 3.300 . 3.300 2.703 2.343 3.519 0.219 15 0 "[ . 1 . 2 ]" 1
719 1 27 ILE HA 1 57 VAL HA 5.000 . 5.000 4.900 4.542 5.076 0.076 11 0 "[ . 1 . 2 ]" 1
720 1 53 TYR HA 1 57 VAL MG2 6.000 . 6.000 4.081 3.557 4.877 . 0 0 "[ . 1 . 2 ]" 1
721 1 26 PRO HD3 1 57 VAL MG2 6.000 . 6.000 4.599 3.643 6.302 0.302 5 0 "[ . 1 . 2 ]" 1
722 1 26 PRO HD2 1 57 VAL MG2 6.000 . 6.000 3.589 2.320 5.236 . 0 0 "[ . 1 . 2 ]" 1
723 1 53 TYR HB3 1 57 VAL HB 5.000 . 5.000 3.051 2.197 4.311 . 0 0 "[ . 1 . 2 ]" 1
724 1 53 TYR HB3 1 57 VAL MG2 6.000 . 6.000 2.285 2.060 3.114 . 0 0 "[ . 1 . 2 ]" 1
725 1 53 TYR HB2 1 57 VAL MG2 6.000 . 6.000 3.055 2.036 4.076 . 0 0 "[ . 1 . 2 ]" 1
726 1 53 TYR HB2 1 57 VAL HB 5.000 . 5.000 3.503 2.391 4.801 . 0 0 "[ . 1 . 2 ]" 1
727 1 26 PRO HG2 1 57 VAL MG1 6.000 . 6.000 2.141 2.008 2.364 . 0 0 "[ . 1 . 2 ]" 1
728 1 58 ILE H 1 58 ILE QG 5.000 . 5.000 3.101 2.283 3.863 . 0 0 "[ . 1 . 2 ]" 1
729 1 57 VAL MG2 1 58 ILE H 6.000 . 6.000 3.954 3.163 4.235 . 0 0 "[ . 1 . 2 ]" 1
730 1 26 PRO HA 1 58 ILE H 5.000 . 5.000 5.082 5.003 5.130 0.130 21 0 "[ . 1 . 2 ]" 1
731 1 58 ILE MG 1 59 PHE HA 6.000 . 6.000 4.032 3.426 4.395 . 0 0 "[ . 1 . 2 ]" 1
732 1 27 ILE HA 1 58 ILE HA 5.000 . 5.000 4.527 4.361 4.680 . 0 0 "[ . 1 . 2 ]" 1
733 1 27 ILE HA 1 58 ILE HB 5.000 . 5.000 2.133 2.019 2.298 . 0 0 "[ . 1 . 2 ]" 1
734 1 58 ILE HA 1 59 PHE QD 7.000 . 7.000 3.654 3.166 4.229 . 0 0 "[ . 1 . 2 ]" 1
735 1 4 VAL HA 1 59 PHE QD 7.000 . 7.000 4.050 3.453 4.810 . 0 0 "[ . 1 . 2 ]" 1
736 1 53 TYR HB3 1 59 PHE QE 7.000 . 7.000 3.135 2.480 4.468 . 0 0 "[ . 1 . 2 ]" 1
737 1 50 SER HB3 1 59 PHE QE 7.000 . 7.000 4.476 3.520 5.911 . 0 0 "[ . 1 . 2 ]" 1
738 1 53 TYR HB2 1 59 PHE QE 7.000 . 7.000 2.451 2.082 3.847 . 0 0 "[ . 1 . 2 ]" 1
739 1 53 TYR HB2 1 59 PHE HZ 5.000 . 5.000 2.661 2.166 3.814 . 0 0 "[ . 1 . 2 ]" 1
740 1 50 SER HB2 1 59 PHE QD 7.000 . 7.000 4.434 3.156 5.240 . 0 0 "[ . 1 . 2 ]" 1
741 1 50 SER HA 1 59 PHE QE 7.000 . 7.000 3.047 2.663 3.597 . 0 0 "[ . 1 . 2 ]" 1
742 1 50 SER HA 1 59 PHE HZ 5.000 . 5.000 3.468 2.942 3.983 . 0 0 "[ . 1 . 2 ]" 1
743 1 50 SER HA 1 59 PHE QD 7.000 . 7.000 3.206 2.866 4.508 . 0 0 "[ . 1 . 2 ]" 1
744 1 57 VAL HB 1 59 PHE HZ 5.000 . 5.000 4.193 3.016 5.019 0.019 23 0 "[ . 1 . 2 ]" 1
745 1 57 VAL HB 1 59 PHE QD 7.000 . 7.000 3.235 2.435 4.045 . 0 0 "[ . 1 . 2 ]" 1
746 1 57 VAL HB 1 59 PHE QE 7.000 . 7.000 2.311 2.071 2.700 . 0 0 "[ . 1 . 2 ]" 1
747 1 49 LEU HB3 1 59 PHE QE 7.000 . 7.000 2.885 2.225 4.115 . 0 0 "[ . 1 . 2 ]" 1
748 1 4 VAL QG 1 59 PHE QD 8.000 . 8.000 2.730 2.120 3.905 . 0 0 "[ . 1 . 2 ]" 1
749 1 59 PHE HZ 1 106 VAL MG2 6.000 . 6.000 3.144 2.232 3.968 . 0 0 "[ . 1 . 2 ]" 1
750 1 57 VAL MG1 1 59 PHE QE 8.000 . 8.000 2.562 2.096 3.294 . 0 0 "[ . 1 . 2 ]" 1
751 1 57 VAL MG1 1 59 PHE QD 8.000 . 8.000 3.225 2.328 4.654 . 0 0 "[ . 1 . 2 ]" 1
752 1 28 VAL MG2 1 59 PHE QE 8.000 . 8.000 3.641 2.624 4.732 . 0 0 "[ . 1 . 2 ]" 1
753 1 46 PHE HA 1 59 PHE QE 7.000 . 7.000 4.451 3.418 5.653 . 0 0 "[ . 1 . 2 ]" 1
754 1 47 GLU HA 1 59 PHE QD 7.000 . 7.000 4.763 3.593 5.637 . 0 0 "[ . 1 . 2 ]" 1
755 1 53 TYR HB3 1 59 PHE HZ 5.000 . 5.000 3.912 3.250 5.023 0.023 10 0 "[ . 1 . 2 ]" 1
756 1 59 PHE QE 1 106 VAL HA 7.000 . 7.000 5.432 4.378 6.108 . 0 0 "[ . 1 . 2 ]" 1
757 1 4 VAL HA 1 59 PHE QE 7.000 . 7.000 5.951 5.438 6.599 . 0 0 "[ . 1 . 2 ]" 1
758 1 49 LEU HB3 1 59 PHE HZ 5.000 . 5.000 3.357 2.181 5.035 0.035 21 0 "[ . 1 . 2 ]" 1
759 1 49 LEU MD1 1 59 PHE HZ 6.000 . 6.000 4.516 3.252 5.886 . 0 0 "[ . 1 . 2 ]" 1
760 1 49 LEU HG 1 59 PHE QE 7.000 . 7.000 4.073 2.598 5.228 . 0 0 "[ . 1 . 2 ]" 1
761 1 49 LEU HB3 1 59 PHE QD 7.000 . 7.000 4.626 3.896 5.570 . 0 0 "[ . 1 . 2 ]" 1
762 1 28 VAL HB 1 59 PHE QD 7.000 . 7.000 3.610 2.567 5.384 . 0 0 "[ . 1 . 2 ]" 1
763 1 59 PHE HZ 1 106 VAL HB 5.000 . 5.000 4.538 3.905 5.011 0.011 20 0 "[ . 1 . 2 ]" 1
764 1 59 PHE HA 1 60 LEU HA 5.000 . 5.000 4.475 4.353 4.567 . 0 0 "[ . 1 . 2 ]" 1
765 1 46 PHE QE 1 60 LEU H 7.000 . 7.000 3.627 2.547 4.330 . 0 0 "[ . 1 . 2 ]" 1
766 1 60 LEU H 1 60 LEU HG 5.000 . 5.000 3.091 2.306 4.210 . 0 0 "[ . 1 . 2 ]" 1
767 1 29 VAL MG2 1 60 LEU H 6.000 . 6.000 4.089 3.587 4.421 . 0 0 "[ . 1 . 2 ]" 1
768 1 59 PHE HA 1 60 LEU HG 5.000 . 5.000 4.435 3.890 5.197 0.197 8 0 "[ . 1 . 2 ]" 1
769 1 59 PHE HA 1 60 LEU QD 6.000 . 6.000 4.371 2.387 4.680 . 0 0 "[ . 1 . 2 ]" 1
770 1 59 PHE HA 1 60 LEU QB 5.000 . 5.000 4.138 3.343 4.504 . 0 0 "[ . 1 . 2 ]" 1
771 1 29 VAL MG1 1 60 LEU QD 7.000 . 7.000 3.417 2.115 4.136 . 0 0 "[ . 1 . 2 ]" 1
772 1 58 ILE HB 1 60 LEU QD 6.000 . 6.000 4.108 3.276 4.704 . 0 0 "[ . 1 . 2 ]" 1
773 1 60 LEU QD 1 61 LYS H 6.000 . 6.000 3.520 2.669 4.008 . 0 0 "[ . 1 . 2 ]" 1
774 1 29 VAL HA 1 62 VAL QG 6.000 . 6.000 4.023 3.551 4.548 . 0 0 "[ . 1 . 2 ]" 1
775 1 31 PHE HA 1 62 VAL QG 6.000 . 6.000 3.192 2.019 3.923 . 0 0 "[ . 1 . 2 ]" 1
776 1 31 PHE HA 1 62 VAL HB 5.000 . 5.000 2.814 2.278 4.760 . 0 0 "[ . 1 . 2 ]" 1
777 1 62 VAL QG 1 63 ASP HA 6.000 . 6.000 3.944 3.738 4.507 . 0 0 "[ . 1 . 2 ]" 1
778 1 8 ASP HA 1 62 VAL QG 6.000 . 6.000 3.403 1.988 4.604 . 0 0 "[ . 1 . 2 ]" 1
779 1 62 VAL QG 1 67 VAL HA 6.000 . 6.000 4.772 4.395 5.051 . 0 0 "[ . 1 . 2 ]" 1
780 1 62 VAL QG 1 71 ALA HA 6.000 . 6.000 4.426 3.771 4.848 . 0 0 "[ . 1 . 2 ]" 1
781 1 62 VAL QG 1 64 VAL HA 6.000 . 6.000 3.231 2.529 3.975 . 0 0 "[ . 1 . 2 ]" 1
782 1 62 VAL QG 1 67 VAL QG 7.000 . 7.000 2.044 1.768 2.920 . 0 0 "[ . 1 . 2 ]" 1
783 1 62 VAL QG 1 70 VAL HB 6.000 . 6.000 3.349 2.164 3.946 . 0 0 "[ . 1 . 2 ]" 1
784 1 29 VAL HB 1 62 VAL QG 6.000 . 6.000 4.214 3.659 4.784 . 0 0 "[ . 1 . 2 ]" 1
785 1 62 VAL QG 1 67 VAL HB 6.000 . 6.000 2.951 2.111 3.950 . 0 0 "[ . 1 . 2 ]" 1
786 1 32 THR HA 1 64 VAL QG 5.000 . 5.000 3.302 2.995 3.674 . 0 0 "[ . 1 . 2 ]" 1
787 1 64 VAL HA 1 68 ALA HA 5.000 . 5.000 3.980 3.033 4.809 . 0 0 "[ . 1 . 2 ]" 1
788 1 64 VAL QG 1 79 MET HG2 5.000 . 5.000 3.402 2.150 4.767 . 0 0 "[ . 1 . 2 ]" 1
789 1 65 ASP QB 1 66 ALA HA 6.000 . 6.000 4.182 3.823 4.582 . 0 0 "[ . 1 . 2 ]" 1
790 1 65 ASP QB 1 66 ALA MB 7.000 . 7.000 3.752 3.542 4.480 . 0 0 "[ . 1 . 2 ]" 1
791 1 63 ASP HB2 1 66 ALA MB 6.000 . 6.000 3.618 2.435 4.167 . 0 0 "[ . 1 . 2 ]" 1
792 1 67 VAL QG 1 70 VAL HA 6.000 . 6.000 4.341 3.967 4.683 . 0 0 "[ . 1 . 2 ]" 1
793 1 66 ALA MB 1 67 VAL QG 7.000 . 7.000 2.610 2.511 2.802 . 0 0 "[ . 1 . 2 ]" 1
794 1 67 VAL QG 1 70 VAL HB 6.000 . 6.000 2.182 1.916 2.366 . 0 0 "[ . 1 . 2 ]" 1
795 1 65 ASP HA 1 68 ALA MB 6.000 . 6.000 4.059 2.273 4.531 . 0 0 "[ . 1 . 2 ]" 1
796 1 69 ALA MB 1 70 VAL HA 6.000 . 6.000 3.841 3.816 3.937 . 0 0 "[ . 1 . 2 ]" 1
797 1 67 VAL HB 1 70 VAL MG2 6.000 . 6.000 3.346 2.096 4.969 . 0 0 "[ . 1 . 2 ]" 1
798 1 67 VAL QG 1 70 VAL MG2 7.000 . 7.000 2.268 1.931 2.783 . 0 0 "[ . 1 . 2 ]" 1
799 1 72 GLU QG 1 73 ALA HA 5.000 . 5.000 3.792 3.417 4.842 . 0 0 "[ . 1 . 2 ]" 1
800 1 73 ALA HA 1 74 ALA HA 5.000 . 5.000 4.819 4.755 4.880 . 0 0 "[ . 1 . 2 ]" 1
801 1 73 ALA MB 1 74 ALA HA 6.000 . 6.000 3.935 3.844 4.000 . 0 0 "[ . 1 . 2 ]" 1
802 1 74 ALA MB 1 75 GLY HA2 6.000 . 6.000 4.705 4.415 4.968 . 0 0 "[ . 1 . 2 ]" 1
803 1 74 ALA HA 1 75 GLY HA2 5.000 . 5.000 5.184 5.119 5.265 0.265 23 0 "[ . 1 . 2 ]" 1
804 1 75 GLY HA2 1 76 ILE HA 5.000 . 5.000 4.665 4.534 4.746 . 0 0 "[ . 1 . 2 ]" 1
805 1 76 ILE MG 1 77 THR HA 6.000 . 6.000 3.670 3.296 4.365 . 0 0 "[ . 1 . 2 ]" 1
806 1 76 ILE MD 1 81 THR HB 6.000 . 6.000 3.021 2.185 3.932 . 0 0 "[ . 1 . 2 ]" 1
807 1 71 ALA HA 1 76 ILE MG 6.000 . 6.000 4.200 3.806 4.975 . 0 0 "[ . 1 . 2 ]" 1
808 1 71 ALA HA 1 76 ILE HG12 5.000 . 5.000 2.825 2.364 3.405 . 0 0 "[ . 1 . 2 ]" 1
809 1 71 ALA HA 1 76 ILE MD 6.000 . 6.000 3.274 2.168 4.402 . 0 0 "[ . 1 . 2 ]" 1
810 1 31 PHE HB3 1 76 ILE MG 6.000 . 6.000 2.672 2.101 3.689 . 0 0 "[ . 1 . 2 ]" 1
811 1 31 PHE HB3 1 76 ILE MD 6.000 . 6.000 3.384 2.828 4.132 . 0 0 "[ . 1 . 2 ]" 1
812 1 31 PHE HB2 1 76 ILE MG 6.000 . 6.000 3.296 2.587 4.563 . 0 0 "[ . 1 . 2 ]" 1
813 1 31 PHE HB2 1 76 ILE HG13 5.000 . 5.000 3.085 2.331 3.701 . 0 0 "[ . 1 . 2 ]" 1
814 1 76 ILE HG12 1 81 THR MG 6.000 . 6.000 4.219 3.661 4.796 . 0 0 "[ . 1 . 2 ]" 1
815 1 64 VAL QG 1 76 ILE HG12 5.000 . 5.000 3.445 2.076 4.445 . 0 0 "[ . 1 . 2 ]" 1
816 1 78 ALA MB 1 79 MET HA 6.000 . 6.000 4.367 3.900 4.637 . 0 0 "[ . 1 . 2 ]" 1
817 1 79 MET QB 1 80 PRO HA 5.000 . 5.000 2.469 2.117 2.885 . 0 0 "[ . 1 . 2 ]" 1
818 1 32 THR HA 1 79 MET HG3 5.000 . 5.000 4.105 2.504 5.060 0.060 11 0 "[ . 1 . 2 ]" 1
819 1 32 THR HA 1 79 MET QB 5.000 . 5.000 2.433 2.128 3.042 . 0 0 "[ . 1 . 2 ]" 1
820 1 80 PRO HB2 1 81 THR HA 5.000 . 5.000 4.408 4.073 4.686 . 0 0 "[ . 1 . 2 ]" 1
821 1 32 THR HA 1 80 PRO HG3 5.000 . 5.000 4.407 3.406 5.063 0.063 8 0 "[ . 1 . 2 ]" 1
822 1 80 PRO HG2 1 97 ALA HA 5.000 . 5.000 3.226 2.363 4.541 . 0 0 "[ . 1 . 2 ]" 1
823 1 79 MET HA 1 80 PRO HB3 5.000 . 5.000 4.667 4.426 4.949 . 0 0 "[ . 1 . 2 ]" 1
824 1 80 PRO HG3 1 97 ALA HA 5.000 . 5.000 4.517 2.977 5.046 0.046 18 0 "[ . 1 . 2 ]" 1
825 1 81 THR HA 1 82 PHE HA 5.000 . 5.000 4.446 4.407 4.474 . 0 0 "[ . 1 . 2 ]" 1
826 1 81 THR MG 1 82 PHE HA 6.000 . 6.000 4.035 3.696 4.310 . 0 0 "[ . 1 . 2 ]" 1
827 1 81 THR HB 1 95 VAL HA 5.000 . 5.000 4.782 4.116 5.138 0.138 23 0 "[ . 1 . 2 ]" 1
828 1 31 PHE HB3 1 81 THR MG 6.000 . 6.000 4.408 3.532 4.945 . 0 0 "[ . 1 . 2 ]" 1
829 1 81 THR HA 1 82 PHE QD 7.000 . 7.000 3.617 2.836 4.416 . 0 0 "[ . 1 . 2 ]" 1
830 1 82 PHE QD 1 95 VAL HA 7.000 . 7.000 4.091 3.433 4.783 . 0 0 "[ . 1 . 2 ]" 1
831 1 82 PHE QE 1 97 ALA HA 7.000 . 7.000 3.111 2.449 3.891 . 0 0 "[ . 1 . 2 ]" 1
832 1 30 ASP HA 1 82 PHE QD 7.000 . 7.000 2.839 2.416 3.275 . 0 0 "[ . 1 . 2 ]" 1
833 1 30 ASP HA 1 82 PHE QE 7.000 . 7.000 3.371 2.638 3.872 . 0 0 "[ . 1 . 2 ]" 1
834 1 30 ASP HB2 1 82 PHE QE 7.000 . 7.000 2.249 2.141 2.398 . 0 0 "[ . 1 . 2 ]" 1
835 1 80 PRO HG2 1 82 PHE QE 7.000 . 7.000 3.521 2.341 4.206 . 0 0 "[ . 1 . 2 ]" 1
836 1 82 PHE QD 1 94 LEU HG 7.000 . 7.000 3.604 2.607 5.013 . 0 0 "[ . 1 . 2 ]" 1
837 1 80 PRO HB2 1 82 PHE QE 7.000 . 7.000 2.567 2.280 2.887 . 0 0 "[ . 1 . 2 ]" 1
838 1 82 PHE QD 1 94 LEU MD1 8.000 . 8.000 3.771 2.102 4.760 . 0 0 "[ . 1 . 2 ]" 1
839 1 42 ILE MD 1 82 PHE QE 8.000 . 8.000 3.869 2.385 5.281 . 0 0 "[ . 1 . 2 ]" 1
840 1 28 VAL MG1 1 82 PHE QD 8.000 . 8.000 3.293 2.584 5.109 . 0 0 "[ . 1 . 2 ]" 1
841 1 82 PHE QE 1 102 LEU MD1 8.000 . 8.000 3.083 2.285 3.845 . 0 0 "[ . 1 . 2 ]" 1
842 1 82 PHE QD 1 102 LEU MD2 8.000 . 8.000 3.018 2.335 3.789 . 0 0 "[ . 1 . 2 ]" 1
843 1 82 PHE QE 1 102 LEU MD2 8.000 . 8.000 3.122 2.478 3.856 . 0 0 "[ . 1 . 2 ]" 1
844 1 81 THR HA 1 82 PHE QE 7.000 . 7.000 4.915 4.022 5.723 . 0 0 "[ . 1 . 2 ]" 1
845 1 82 PHE HZ 1 97 ALA HA 5.000 . 5.000 4.630 3.999 5.020 0.020 9 0 "[ . 1 . 2 ]" 1
846 1 43 ALA HA 1 82 PHE HZ 5.000 . 5.000 4.998 4.728 5.085 0.085 5 0 "[ . 1 . 2 ]" 1
847 1 46 PHE QB 1 82 PHE QE 7.000 . 7.000 2.931 2.545 3.276 . 0 0 "[ . 1 . 2 ]" 1
848 1 42 ILE MD 1 82 PHE HZ 6.000 . 6.000 4.166 2.828 5.013 . 0 0 "[ . 1 . 2 ]" 1
849 1 82 PHE HZ 1 102 LEU MD2 6.000 . 6.000 4.067 2.916 4.952 . 0 0 "[ . 1 . 2 ]" 1
850 1 30 ASP HB2 1 82 PHE QD 7.000 . 7.000 2.970 2.555 3.600 . 0 0 "[ . 1 . 2 ]" 1
851 1 80 PRO HG3 1 82 PHE HZ 5.000 . 5.000 4.861 4.164 5.520 0.520 15 1 "[ . 1 + 2 ]" 1
852 1 31 PHE QE 1 83 HIS HE1 7.000 . 7.000 3.942 3.526 4.256 . 0 0 "[ . 1 . 2 ]" 1
853 1 83 HIS HA 1 83 HIS HD2 5.000 . 5.000 2.679 2.459 2.907 . 0 0 "[ . 1 . 2 ]" 1
854 1 83 HIS HD2 1 93 ASP HA 5.000 . 5.000 3.331 2.505 4.038 . 0 0 "[ . 1 . 2 ]" 1
855 1 74 ALA HA 1 83 HIS HE1 5.000 . 5.000 3.863 3.520 4.615 . 0 0 "[ . 1 . 2 ]" 1
856 1 83 HIS HD2 1 93 ASP HB2 5.000 . 5.000 3.502 2.236 4.868 . 0 0 "[ . 1 . 2 ]" 1
857 1 81 THR MG 1 83 HIS HD2 6.000 . 6.000 2.326 2.147 2.453 . 0 0 "[ . 1 . 2 ]" 1
858 1 83 HIS HE1 1 90 LYS HD3 5.000 . 5.000 3.569 2.682 5.057 0.057 14 0 "[ . 1 . 2 ]" 1
859 1 83 HIS HE1 1 90 LYS HD2 5.000 . 5.000 3.963 2.796 5.045 0.045 6 0 "[ . 1 . 2 ]" 1
860 1 82 PHE HA 1 83 HIS HD2 5.000 . 5.000 4.475 3.996 4.856 . 0 0 "[ . 1 . 2 ]" 1
861 1 83 HIS H 1 83 HIS HD2 5.000 . 5.000 3.721 3.230 4.085 . 0 0 "[ . 1 . 2 ]" 1
862 1 82 PHE QD 1 83 HIS H 7.000 . 7.000 4.220 3.847 4.718 . 0 0 "[ . 1 . 2 ]" 1
863 1 31 PHE QE 1 83 HIS H 7.000 . 7.000 4.275 3.923 4.765 . 0 0 "[ . 1 . 2 ]" 1
864 1 76 ILE HA 1 83 HIS HE1 5.000 . 5.000 4.780 4.083 5.056 0.056 10 0 "[ . 1 . 2 ]" 1
865 1 81 THR HA 1 83 HIS HD2 5.000 . 5.000 4.822 4.447 5.020 0.020 6 0 "[ . 1 . 2 ]" 1
866 1 81 THR HB 1 83 HIS HD2 5.000 . 5.000 4.881 4.618 5.052 0.052 16 0 "[ . 1 . 2 ]" 1
867 1 81 THR MG 1 83 HIS H 6.000 . 6.000 4.206 3.592 4.576 . 0 0 "[ . 1 . 2 ]" 1
868 1 29 VAL MG2 1 83 HIS H 6.000 . 6.000 4.082 3.679 4.582 . 0 0 "[ . 1 . 2 ]" 1
869 1 83 HIS HE1 1 90 LYS HE2 5.000 . 5.000 3.934 2.521 4.997 . 0 0 "[ . 1 . 2 ]" 1
870 1 83 HIS HB2 1 93 ASP HA 5.000 . 5.000 5.141 4.840 5.400 0.400 4 0 "[ . 1 . 2 ]" 1
871 1 83 HIS HD2 1 84 VAL H 5.000 . 5.000 4.823 4.584 5.048 0.048 8 0 "[ . 1 . 2 ]" 1
872 1 83 HIS HB3 1 84 VAL H 5.000 . 5.000 2.854 2.504 3.419 . 0 0 "[ . 1 . 2 ]" 1
873 1 83 HIS HB2 1 84 VAL H 5.000 . 5.000 4.025 3.686 4.466 . 0 0 "[ . 1 . 2 ]" 1
874 1 84 VAL H 1 92 ASP HB3 5.000 . 5.000 3.898 3.553 4.446 . 0 0 "[ . 1 . 2 ]" 1
875 1 83 HIS HA 1 84 VAL MG1 6.000 . 6.000 5.423 4.916 5.522 . 0 0 "[ . 1 . 2 ]" 1
876 1 84 VAL MG1 1 93 ASP HA 6.000 . 6.000 5.879 5.058 6.453 0.453 11 0 "[ . 1 . 2 ]" 1
877 1 28 VAL HA 1 84 VAL MG2 6.000 . 6.000 3.085 2.713 3.404 . 0 0 "[ . 1 . 2 ]" 1
878 1 84 VAL MG2 1 85 TYR HA 6.000 . 6.000 5.633 5.038 5.726 . 0 0 "[ . 1 . 2 ]" 1
879 1 26 PRO HA 1 84 VAL MG2 6.000 . 6.000 5.260 4.366 5.889 . 0 0 "[ . 1 . 2 ]" 1
880 1 84 VAL MG1 1 109 HIS HB3 6.000 . 6.000 2.688 2.332 3.498 . 0 0 "[ . 1 . 2 ]" 1
881 1 84 VAL MG2 1 109 HIS HB3 6.000 . 6.000 4.319 3.253 5.479 . 0 0 "[ . 1 . 2 ]" 1
882 1 84 VAL MG1 1 92 ASP HB2 6.000 . 6.000 4.160 2.722 4.736 . 0 0 "[ . 1 . 2 ]" 1
883 1 84 VAL HB 1 92 ASP HB2 5.000 . 5.000 3.408 2.590 3.972 . 0 0 "[ . 1 . 2 ]" 1
884 1 84 VAL HB 1 92 ASP HB3 5.000 . 5.000 2.449 2.185 2.655 . 0 0 "[ . 1 . 2 ]" 1
885 1 84 VAL MG2 1 92 ASP HB3 6.000 . 6.000 2.600 2.271 3.497 . 0 0 "[ . 1 . 2 ]" 1
886 1 26 PRO HB3 1 84 VAL MG2 6.000 . 6.000 4.837 3.608 5.519 . 0 0 "[ . 1 . 2 ]" 1
887 1 26 PRO HB2 1 84 VAL MG2 6.000 . 6.000 4.411 3.195 4.983 . 0 0 "[ . 1 . 2 ]" 1
888 1 84 VAL MG2 1 91 ALA MB 7.000 . 7.000 4.338 3.843 4.553 . 0 0 "[ . 1 . 2 ]" 1
889 1 84 VAL MG1 1 92 ASP HB3 6.000 . 6.000 3.577 2.371 3.889 . 0 0 "[ . 1 . 2 ]" 1
890 1 84 VAL HA 1 85 TYR QD 7.000 . 7.000 3.811 3.416 4.375 . 0 0 "[ . 1 . 2 ]" 1
891 1 85 TYR QD 1 89 VAL HA 7.000 . 7.000 3.095 2.487 4.591 . 0 0 "[ . 1 . 2 ]" 1
892 1 83 HIS HB2 1 85 TYR QD 7.000 . 7.000 3.613 3.160 4.393 . 0 0 "[ . 1 . 2 ]" 1
893 1 85 TYR QE 1 90 LYS HB3 7.000 . 7.000 4.200 4.006 4.563 . 0 0 "[ . 1 . 2 ]" 1
894 1 27 ILE HB 1 85 TYR QD 7.000 . 7.000 4.165 3.474 5.839 . 0 0 "[ . 1 . 2 ]" 1
895 1 85 TYR QE 1 90 LYS HB2 7.000 . 7.000 2.614 2.356 3.166 . 0 0 "[ . 1 . 2 ]" 1
896 1 85 TYR QE 1 90 LYS HG3 7.000 . 7.000 3.621 2.562 4.186 . 0 0 "[ . 1 . 2 ]" 1
897 1 29 VAL MG2 1 85 TYR QE 8.000 . 8.000 3.492 2.151 4.417 . 0 0 "[ . 1 . 2 ]" 1
898 1 26 PRO HA 1 85 TYR H 5.000 . 5.000 4.738 4.149 5.114 0.114 17 0 "[ . 1 . 2 ]" 1
899 1 28 VAL HA 1 85 TYR H 5.000 . 5.000 3.712 3.202 3.932 . 0 0 "[ . 1 . 2 ]" 1
900 1 27 ILE HB 1 85 TYR H 5.000 . 5.000 3.237 2.244 5.043 0.043 21 0 "[ . 1 . 2 ]" 1
901 1 85 TYR QE 1 90 LYS HG2 7.000 . 7.000 4.912 4.161 5.309 . 0 0 "[ . 1 . 2 ]" 1
902 1 85 TYR QE 1 90 LYS HE3 7.000 . 7.000 4.657 2.993 6.241 . 0 0 "[ . 1 . 2 ]" 1
903 1 29 VAL HB 1 85 TYR QD 7.000 . 7.000 3.984 2.973 4.939 . 0 0 "[ . 1 . 2 ]" 1
904 1 85 TYR QE 1 90 LYS HE2 7.000 . 7.000 4.904 3.075 6.523 . 0 0 "[ . 1 . 2 ]" 1
905 1 85 TYR QE 1 90 LYS HD2 7.000 . 7.000 4.721 2.877 5.547 . 0 0 "[ . 1 . 2 ]" 1
906 1 84 VAL HA 1 85 TYR HA 5.000 . 5.000 4.481 4.289 4.534 . 0 0 "[ . 1 . 2 ]" 1
907 1 86 LYS HA 1 87 ASP HA 5.000 . 5.000 4.432 4.300 4.705 . 0 0 "[ . 1 . 2 ]" 1
908 1 85 TYR HA 1 89 VAL HA 5.000 . 5.000 4.530 3.174 5.088 0.088 2 0 "[ . 1 . 2 ]" 1
909 1 89 VAL MG2 1 91 ALA HA 6.000 . 6.000 4.982 3.413 6.505 0.505 5 1 "[ + 1 . 2 ]" 1
910 1 87 ASP QB 1 89 VAL MG1 6.000 . 6.000 4.105 2.495 6.630 0.630 16 1 "[ . 1 .+ 2 ]" 1
911 1 85 TYR HA 1 90 LYS HA 5.000 . 5.000 2.412 2.103 2.932 . 0 0 "[ . 1 . 2 ]" 1
912 1 90 LYS HG2 1 92 ASP HA 5.000 . 5.000 4.385 3.969 5.039 0.039 16 0 "[ . 1 . 2 ]" 1
913 1 89 VAL HA 1 90 LYS HA 5.000 . 5.000 4.405 4.348 4.519 . 0 0 "[ . 1 . 2 ]" 1
914 1 90 LYS HA 1 90 LYS HE3 5.000 . 5.000 4.901 4.599 5.303 0.303 17 0 "[ . 1 . 2 ]" 1
915 1 90 LYS HA 1 90 LYS HD3 5.000 . 5.000 4.400 3.912 4.806 . 0 0 "[ . 1 . 2 ]" 1
916 1 90 LYS HA 1 90 LYS HD2 5.000 . 5.000 4.644 4.185 4.821 . 0 0 "[ . 1 . 2 ]" 1
917 1 83 HIS HB2 1 90 LYS HG3 5.000 . 5.000 4.533 3.799 5.446 0.446 10 0 "[ . 1 . 2 ]" 1
918 1 90 LYS HB2 1 90 LYS HE2 5.000 . 5.000 3.742 2.654 4.662 . 0 0 "[ . 1 . 2 ]" 1
919 1 90 LYS HB2 1 90 LYS HE3 5.000 . 5.000 3.025 2.278 4.427 . 0 0 "[ . 1 . 2 ]" 1
920 1 85 TYR HA 1 91 ALA MB 6.000 . 6.000 3.589 2.613 4.206 . 0 0 "[ . 1 . 2 ]" 1
921 1 91 ALA MB 1 92 ASP HA 6.000 . 6.000 4.327 4.220 4.393 . 0 0 "[ . 1 . 2 ]" 1
922 1 90 LYS HA 1 91 ALA MB 6.000 . 6.000 4.042 3.870 4.137 . 0 0 "[ . 1 . 2 ]" 1
923 1 91 ALA MB 1 92 ASP HB2 6.000 . 6.000 3.285 3.065 3.428 . 0 0 "[ . 1 . 2 ]" 1
924 1 86 LYS QD 1 91 ALA MB 7.000 . 7.000 3.336 2.181 4.661 . 0 0 "[ . 1 . 2 ]" 1
925 1 84 VAL HB 1 91 ALA MB 4.300 . 4.300 3.140 2.743 3.693 . 0 0 "[ . 1 . 2 ]" 1
926 1 92 ASP HA 1 93 ASP HA 5.000 . 5.000 4.580 4.532 4.652 . 0 0 "[ . 1 . 2 ]" 1
927 1 83 HIS HA 1 93 ASP HB3 5.000 . 5.000 3.667 2.458 5.235 0.235 11 0 "[ . 1 . 2 ]" 1
928 1 93 ASP HB2 1 94 LEU HA 5.000 . 5.000 4.698 4.272 5.678 0.678 14 6 "[ .- * 1* +* * 2 ]" 1
929 1 94 LEU MD2 1 102 LEU HA 6.000 . 6.000 3.250 2.200 6.079 0.079 4 0 "[ . 1 . 2 ]" 1
930 1 82 PHE HB2 1 94 LEU HG 5.000 . 5.000 3.555 2.307 4.669 . 0 0 "[ . 1 . 2 ]" 1
931 1 81 THR HA 1 95 VAL HB 5.000 . 5.000 4.302 3.647 5.099 0.099 4 0 "[ . 1 . 2 ]" 1
932 1 81 THR HA 1 95 VAL MG2 6.000 . 6.000 4.702 3.264 5.111 . 0 0 "[ . 1 . 2 ]" 1
933 1 95 VAL HB 1 96 GLY HA3 5.000 . 5.000 4.360 4.132 5.276 0.276 18 0 "[ . 1 . 2 ]" 1
934 1 78 ALA MB 1 95 VAL MG2 7.000 . 7.000 3.379 2.642 5.058 . 0 0 "[ . 1 . 2 ]" 1
935 1 96 GLY HA3 1 97 ALA MB 6.000 . 6.000 4.318 4.220 4.448 . 0 0 "[ . 1 . 2 ]" 1
936 1 96 GLY HA2 1 97 ALA MB 6.000 . 6.000 4.085 3.686 4.315 . 0 0 "[ . 1 . 2 ]" 1
937 1 80 PRO HD2 1 97 ALA MB 6.000 . 6.000 3.781 2.582 4.782 . 0 0 "[ . 1 . 2 ]" 1
938 1 42 ILE HG12 1 97 ALA MB 6.000 . 6.000 2.976 2.246 4.361 . 0 0 "[ . 1 . 2 ]" 1
939 1 98 SER HB3 1 101 LYS HB3 5.000 . 5.000 2.633 2.260 3.293 . 0 0 "[ . 1 . 2 ]" 1
940 1 98 SER HB3 1 101 LYS QD 6.000 . 6.000 4.317 2.397 5.432 . 0 0 "[ . 1 . 2 ]" 1
941 1 46 PHE HA 1 102 LEU MD1 6.000 . 6.000 4.134 2.967 5.984 . 0 0 "[ . 1 . 2 ]" 1
942 1 99 GLN HA 1 102 LEU MD1 6.000 . 6.000 3.759 2.369 4.985 . 0 0 "[ . 1 . 2 ]" 1
943 1 99 GLN HA 1 102 LEU MD2 6.000 . 6.000 3.814 2.712 5.053 . 0 0 "[ . 1 . 2 ]" 1
944 1 46 PHE QB 1 102 LEU MD1 6.000 . 6.000 3.684 2.176 5.324 . 0 0 "[ . 1 . 2 ]" 1
945 1 82 PHE HB2 1 102 LEU MD2 6.000 . 6.000 4.350 2.742 5.521 . 0 0 "[ . 1 . 2 ]" 1
946 1 102 LEU MD2 1 105 LEU HB2 6.000 . 6.000 4.467 2.947 6.000 0.000 22 0 "[ . 1 . 2 ]" 1
947 1 102 LEU MD2 1 106 VAL MG2 7.000 . 7.000 3.160 2.051 4.546 . 0 0 "[ . 1 . 2 ]" 1
948 1 28 VAL MG1 1 102 LEU MD2 7.000 . 7.000 3.434 2.297 5.121 . 0 0 "[ . 1 . 2 ]" 1
949 1 94 LEU MD2 1 102 LEU MD2 7.000 . 7.000 4.289 2.285 6.543 . 0 0 "[ . 1 . 2 ]" 1
950 1 100 ASP HA 1 103 LYS QD 5.000 . 5.000 3.177 2.276 4.814 . 0 0 "[ . 1 . 2 ]" 1
951 1 102 LEU MD2 1 105 LEU H 6.000 . 6.000 5.406 4.317 6.443 0.443 1 0 "[ . 1 . 2 ]" 1
952 1 93 ASP HA 1 105 LEU MD1 6.000 . 6.000 4.008 3.401 5.101 . 0 0 "[ . 1 . 2 ]" 1
953 1 82 PHE HB3 1 105 LEU MD1 6.000 . 6.000 3.914 2.579 4.949 . 0 0 "[ . 1 . 2 ]" 1
954 1 101 LYS HA 1 105 LEU HG 5.000 . 5.000 4.352 3.970 4.722 . 0 0 "[ . 1 . 2 ]" 1
955 1 102 LEU MD2 1 106 VAL H 6.000 . 6.000 4.656 3.415 6.123 0.123 7 0 "[ . 1 . 2 ]" 1
956 1 105 LEU MD2 1 106 VAL H 6.000 . 6.000 4.713 4.616 4.817 . 0 0 "[ . 1 . 2 ]" 1
957 1 106 VAL MG1 1 110 ALA HA 6.000 . 6.000 4.746 3.862 4.910 . 0 0 "[ . 1 . 2 ]" 1
958 1 106 VAL MG1 1 107 ALA HA 6.000 . 6.000 3.504 2.871 3.931 . 0 0 "[ . 1 . 2 ]" 1
959 1 26 PRO HB3 1 106 VAL MG1 6.000 . 6.000 5.014 4.183 6.012 0.012 6 0 "[ . 1 . 2 ]" 1
960 1 106 VAL MG1 1 110 ALA MB 7.000 . 7.000 2.725 2.343 3.221 . 0 0 "[ . 1 . 2 ]" 1
961 1 108 LYS HG3 1 109 HIS HA 5.000 . 5.000 4.281 3.203 5.000 0.000 1 0 "[ . 1 . 2 ]" 1
962 1 108 LYS HG2 1 109 HIS HA 5.000 . 5.000 3.606 3.056 5.004 0.004 10 0 "[ . 1 . 2 ]" 1
963 1 108 LYS HA 1 108 LYS HE2 5.000 . 5.000 4.412 2.314 5.114 0.114 8 0 "[ . 1 . 2 ]" 1
964 1 108 LYS HA 1 108 LYS HE3 5.000 . 5.000 4.565 3.865 5.041 0.041 7 0 "[ . 1 . 2 ]" 1
965 1 105 LEU HA 1 108 LYS HB2 5.000 . 5.000 3.779 3.245 5.197 0.197 6 0 "[ . 1 . 2 ]" 1
966 1 109 HIS HA 1 109 HIS HD2 5.000 . 5.000 4.229 4.010 4.485 . 0 0 "[ . 1 . 2 ]" 1
967 1 105 LEU HA 1 109 HIS HD2 5.000 . 5.000 2.753 2.401 4.260 . 0 0 "[ . 1 . 2 ]" 1
968 1 92 ASP HB2 1 109 HIS HE1 5.000 . 5.000 2.551 2.333 2.809 . 0 0 "[ . 1 . 2 ]" 1
969 1 92 ASP HB3 1 109 HIS HE1 5.000 . 5.000 3.731 2.994 4.474 . 0 0 "[ . 1 . 2 ]" 1
970 1 108 LYS HB2 1 109 HIS HD2 5.000 . 5.000 4.677 4.172 5.167 0.167 23 0 "[ . 1 . 2 ]" 1
971 1 91 ALA MB 1 109 HIS HE1 6.000 . 6.000 2.890 2.311 3.685 . 0 0 "[ . 1 . 2 ]" 1
972 1 105 LEU MD2 1 109 HIS HD2 6.000 . 6.000 2.838 2.449 4.849 . 0 0 "[ . 1 . 2 ]" 1
973 1 84 VAL MG2 1 109 HIS HE1 6.000 . 6.000 4.800 4.167 4.916 . 0 0 "[ . 1 . 2 ]" 1
974 1 84 VAL MG2 1 109 HIS HD2 6.000 . 6.000 3.095 2.321 3.724 . 0 0 "[ . 1 . 2 ]" 1
975 1 109 HIS HA 1 109 HIS HE1 5.000 . 5.000 4.723 4.459 5.038 0.038 23 0 "[ . 1 . 2 ]" 1
976 1 106 VAL HA 1 109 HIS HD2 5.000 . 5.000 4.330 2.601 4.762 . 0 0 "[ . 1 . 2 ]" 1
977 1 84 VAL MG1 1 109 HIS HE1 6.000 . 6.000 4.128 3.154 4.629 . 0 0 "[ . 1 . 2 ]" 1
978 1 92 ASP HB3 1 109 HIS HD2 5.000 . 5.000 4.116 3.729 4.536 . 0 0 "[ . 1 . 2 ]" 1
979 1 108 LYS HG2 1 109 HIS HE1 5.000 . 5.000 4.590 3.733 5.986 0.986 6 2 "[ .+ 1 - . 2 ]" 1
980 1 108 LYS HG2 1 109 HIS HD2 5.000 . 5.000 3.556 2.265 4.404 . 0 0 "[ . 1 . 2 ]" 1
981 1 84 VAL HB 1 109 HIS HE1 5.000 . 5.000 4.511 4.072 5.048 0.048 8 0 "[ . 1 . 2 ]" 1
982 1 108 LYS HB3 1 109 HIS HD2 5.000 . 5.000 3.185 2.517 5.074 0.074 12 0 "[ . 1 . 2 ]" 1
983 1 108 LYS HD2 1 109 HIS HE1 5.000 . 5.000 4.541 3.973 5.087 0.087 8 0 "[ . 1 . 2 ]" 1
984 1 108 LYS HD3 1 109 HIS HE1 5.000 . 5.000 4.442 3.465 5.078 0.078 10 0 "[ . 1 . 2 ]" 1
985 1 3 SER H 1 3 SER HB2 3.500 . 3.500 2.780 2.246 3.544 0.044 11 0 "[ . 1 . 2 ]" 1
986 1 2 GLY HA3 1 3 SER H 5.000 . 5.000 2.848 2.225 3.614 . 0 0 "[ . 1 . 2 ]" 1
987 1 4 VAL H 1 4 VAL HB 3.500 . 3.500 3.009 2.247 3.676 0.176 20 0 "[ . 1 . 2 ]" 1
988 1 4 VAL H 1 5 ILE H 5.000 . 5.000 3.394 2.325 4.620 . 0 0 "[ . 1 . 2 ]" 1
989 1 5 ILE H 1 5 ILE QG 5.000 . 5.000 2.420 1.990 3.925 . 0 0 "[ . 1 . 2 ]" 1
990 1 6 VAL H 1 6 VAL HA 2.900 . 2.900 2.918 2.737 2.960 0.060 15 0 "[ . 1 . 2 ]" 1
991 1 6 VAL H 1 6 VAL MG1 4.500 . 4.500 2.887 1.945 3.927 . 0 0 "[ . 1 . 2 ]" 1
992 1 7 ILE H 1 7 ILE HB 3.500 . 3.500 3.112 2.478 3.557 0.057 17 0 "[ . 1 . 2 ]" 1
993 1 8 ASP H 1 12 ALA MB 6.000 . 6.000 4.383 3.347 5.050 . 0 0 "[ . 1 . 2 ]" 1
994 1 7 ILE MG 1 8 ASP H 6.000 . 6.000 3.491 2.127 4.296 . 0 0 "[ . 1 . 2 ]" 1
995 1 9 SER H 1 67 VAL QG 6.000 . 6.000 3.526 2.567 4.684 . 0 0 "[ . 1 . 2 ]" 1
996 1 10 LYS H 1 10 LYS HG3 5.000 . 5.000 3.855 2.021 4.556 . 0 0 "[ . 1 . 2 ]" 1
997 1 10 LYS H 1 10 LYS HG2 5.000 . 5.000 3.740 2.129 4.569 . 0 0 "[ . 1 . 2 ]" 1
998 1 10 LYS H 1 10 LYS HD2 5.000 . 5.000 4.677 2.850 5.870 0.870 17 1 "[ . 1 . + 2 ]" 1
999 1 11 ALA H 1 67 VAL QG 6.000 . 6.000 4.605 4.277 4.932 . 0 0 "[ . 1 . 2 ]" 1
1000 1 13 TRP HA 1 13 TRP HE3 5.000 . 5.000 3.709 2.966 4.175 . 0 0 "[ . 1 . 2 ]" 1
1001 1 13 TRP HE1 1 70 VAL MG2 6.000 . 6.000 4.073 2.979 5.390 . 0 0 "[ . 1 . 2 ]" 1
1002 1 13 TRP HA 1 13 TRP HD1 5.000 . 5.000 4.430 4.014 4.694 . 0 0 "[ . 1 . 2 ]" 1
1003 1 13 TRP HD1 1 14 ASP H 5.000 . 5.000 2.590 2.199 3.964 . 0 0 "[ . 1 . 2 ]" 1
1004 1 7 ILE MD 1 16 GLN HE21 6.000 . 6.000 4.812 3.984 5.967 . 0 0 "[ . 1 . 2 ]" 1
1005 1 17 LEU H 1 17 LEU QB 3.500 . 3.500 2.251 2.071 2.666 . 0 0 "[ . 1 . 2 ]" 1
1006 1 17 LEU H 1 17 LEU HG 5.000 . 5.000 3.635 2.044 4.561 . 0 0 "[ . 1 . 2 ]" 1
1007 1 17 LEU H 1 58 ILE MG 6.000 . 6.000 4.724 4.072 5.056 . 0 0 "[ . 1 . 2 ]" 1
1008 1 18 ALA H 1 19 LYS HG2 5.000 . 5.000 4.430 3.745 5.079 0.079 9 0 "[ . 1 . 2 ]" 1
1009 1 19 LYS H 1 19 LYS HG3 3.500 . 3.500 3.253 2.290 3.587 0.087 23 0 "[ . 1 . 2 ]" 1
1010 1 19 LYS H 1 19 LYS HG2 5.000 . 5.000 2.363 2.140 3.188 . 0 0 "[ . 1 . 2 ]" 1
1011 1 20 GLY H 1 58 ILE QG 5.000 . 5.000 4.443 3.815 4.901 . 0 0 "[ . 1 . 2 ]" 1
1012 1 18 ALA HA 1 20 GLY H 5.000 . 5.000 4.197 3.854 4.429 . 0 0 "[ . 1 . 2 ]" 1
1013 1 21 LYS H 1 21 LYS HG3 5.000 . 5.000 3.354 2.635 4.512 . 0 0 "[ . 1 . 2 ]" 1
1014 1 21 LYS H 1 21 LYS HG2 5.000 . 5.000 3.457 2.605 5.101 0.101 21 0 "[ . 1 . 2 ]" 1
1015 1 22 GLU H 1 22 GLU HB2 3.500 . 3.500 2.783 2.230 3.543 0.043 11 0 "[ . 1 . 2 ]" 1
1016 1 22 GLU H 1 22 GLU QG 5.000 . 5.000 2.819 1.920 3.972 . 0 0 "[ . 1 . 2 ]" 1
1017 1 22 GLU H 1 22 GLU HB3 3.500 . 3.500 3.038 2.369 3.542 0.042 10 0 "[ . 1 . 2 ]" 1
1018 1 23 GLU H 1 23 GLU HG3 5.000 . 5.000 3.262 1.986 4.627 . 0 0 "[ . 1 . 2 ]" 1
1019 1 23 GLU H 1 25 LYS QD 6.000 . 6.000 4.590 2.758 5.455 . 0 0 "[ . 1 . 2 ]" 1
1020 1 23 GLU H 1 23 GLU HG2 5.000 . 5.000 3.679 2.117 4.654 . 0 0 "[ . 1 . 2 ]" 1
1021 1 24 HIS H 1 24 HIS HD2 5.000 . 5.000 4.827 4.197 5.075 0.075 22 0 "[ . 1 . 2 ]" 1
1022 1 25 LYS H 1 25 LYS QD 6.000 . 6.000 3.999 2.814 4.894 . 0 0 "[ . 1 . 2 ]" 1
1023 1 27 ILE H 1 27 ILE HG12 5.000 . 5.000 3.623 2.262 4.381 . 0 0 "[ . 1 . 2 ]" 1
1024 1 27 ILE H 1 27 ILE HG13 5.000 . 5.000 2.986 2.248 4.245 . 0 0 "[ . 1 . 2 ]" 1
1025 1 30 ASP H 1 60 LEU QB 5.000 . 5.000 3.654 3.452 4.757 . 0 0 "[ . 1 . 2 ]" 1
1026 1 31 PHE HZ 1 74 ALA MB 4.500 . 4.500 2.450 2.256 2.728 . 0 0 "[ . 1 . 2 ]" 1
1027 1 31 PHE H 1 81 THR H 3.500 . 3.500 3.281 3.023 3.503 0.003 10 0 "[ . 1 . 2 ]" 1
1028 1 32 THR H 1 79 MET QB 5.000 . 5.000 4.770 4.254 4.963 . 0 0 "[ . 1 . 2 ]" 1
1029 1 35 TRP H 1 35 TRP HD1 5.000 . 5.000 2.663 2.110 4.066 . 0 0 "[ . 1 . 2 ]" 1
1030 1 34 THR HB 1 35 TRP HD1 5.000 . 5.000 4.536 3.640 5.050 0.050 23 0 "[ . 1 . 2 ]" 1
1031 1 37 GLY H 1 38 PRO QD 6.000 . 6.000 3.533 2.686 4.380 . 0 0 "[ . 1 . 2 ]" 1
1032 1 38 PRO QD 1 39 CYS H 6.000 . 6.000 3.032 2.673 4.198 . 0 0 "[ . 1 . 2 ]" 1
1033 1 40 LYS H 1 40 LYS QD 6.000 . 6.000 4.244 3.347 4.823 . 0 0 "[ . 1 . 2 ]" 1
1034 1 40 LYS H 1 40 LYS HG3 5.000 . 5.000 4.053 2.221 4.656 . 0 0 "[ . 1 . 2 ]" 1
1035 1 40 LYS H 1 40 LYS HG2 5.000 . 5.000 4.051 2.100 4.606 . 0 0 "[ . 1 . 2 ]" 1
1036 1 41 MET H 1 41 MET HG2 5.000 . 5.000 3.054 2.029 4.603 . 0 0 "[ . 1 . 2 ]" 1
1037 1 41 MET H 1 41 MET ME 6.000 . 6.000 4.223 3.182 4.871 . 0 0 "[ . 1 . 2 ]" 1
1038 1 41 MET H 1 42 ILE HB 5.000 . 5.000 4.808 4.026 5.051 0.051 7 0 "[ . 1 . 2 ]" 1
1039 1 40 LYS QD 1 41 MET H 6.000 . 6.000 4.859 3.654 5.433 . 0 0 "[ . 1 . 2 ]" 1
1040 1 41 MET H 1 41 MET HG3 5.000 . 5.000 2.964 2.149 4.535 . 0 0 "[ . 1 . 2 ]" 1
1041 1 42 ILE H 1 42 ILE HG12 5.000 . 5.000 3.590 2.115 4.092 . 0 0 "[ . 1 . 2 ]" 1
1042 1 43 ALA H 1 44 PRO HD3 5.000 . 5.000 3.668 3.350 3.842 . 0 0 "[ . 1 . 2 ]" 1
1043 1 43 ALA H 1 44 PRO HD2 5.000 . 5.000 2.482 2.378 2.702 . 0 0 "[ . 1 . 2 ]" 1
1044 1 44 PRO HD2 1 45 LEU H 5.000 . 5.000 3.124 2.830 3.408 . 0 0 "[ . 1 . 2 ]" 1
1045 1 45 LEU H 1 46 PHE QB 5.000 . 5.000 4.287 4.098 4.511 . 0 0 "[ . 1 . 2 ]" 1
1046 1 45 LEU H 1 47 GLU QB 5.000 . 5.000 4.622 4.449 4.879 . 0 0 "[ . 1 . 2 ]" 1
1047 1 44 PRO HB2 1 45 LEU H 5.000 . 5.000 3.250 2.408 3.634 . 0 0 "[ . 1 . 2 ]" 1
1048 1 45 LEU H 1 45 LEU HG 5.000 . 5.000 3.075 2.202 4.026 . 0 0 "[ . 1 . 2 ]" 1
1049 1 46 PHE QD 1 47 GLU QB 7.000 . 7.000 4.275 3.612 5.113 . 0 0 "[ . 1 . 2 ]" 1
1050 1 28 VAL HB 1 46 PHE HZ 5.000 . 5.000 3.414 2.382 5.012 0.012 16 0 "[ . 1 . 2 ]" 1
1051 1 28 VAL HB 1 46 PHE QD 7.000 . 7.000 5.494 5.045 6.133 . 0 0 "[ . 1 . 2 ]" 1
1052 1 46 PHE QD 1 102 LEU HB2 5.500 . 7.000 5.333 4.506 5.823 . 0 0 "[ . 1 . 2 ]" 1
1053 1 45 LEU MD1 1 46 PHE H 6.000 . 6.000 4.433 4.209 4.785 . 0 0 "[ . 1 . 2 ]" 1
1054 1 47 GLU H 1 47 GLU QB . . 3.500 2.224 2.122 2.370 . 0 0 "[ . 1 . 2 ]" 1
1055 1 47 GLU H 1 47 GLU HG3 5.000 . 5.000 4.037 2.270 4.584 . 0 0 "[ . 1 . 2 ]" 1
1056 1 47 GLU H 1 47 GLU HG2 5.000 . 5.000 4.320 3.111 4.627 . 0 0 "[ . 1 . 2 ]" 1
1057 1 48 THR H 1 48 THR HB 3.500 . 3.500 2.683 2.506 3.620 0.120 22 0 "[ . 1 . 2 ]" 1
1058 1 53 TYR H 1 53 TYR HB2 3.500 . 3.500 2.330 2.128 2.707 . 0 0 "[ . 1 . 2 ]" 1
1059 1 4 VAL QG 1 53 TYR H 6.000 . 6.000 4.755 4.372 4.884 . 0 0 "[ . 1 . 2 ]" 1
1060 1 53 TYR H 1 53 TYR QE 7.000 . 7.000 4.754 4.330 5.398 . 0 0 "[ . 1 . 2 ]" 1
1061 1 49 LEU HA 1 53 TYR H 5.000 . 5.000 4.005 3.537 5.050 0.050 21 0 "[ . 1 . 2 ]" 1
1062 1 56 LYS H 1 56 LYS HD2 5.000 . 5.000 4.512 2.640 5.033 0.033 1 0 "[ . 1 . 2 ]" 1
1063 1 56 LYS H 1 56 LYS QB 3.500 . 3.500 2.414 1.996 2.764 . 0 0 "[ . 1 . 2 ]" 1
1064 1 56 LYS H 1 56 LYS HD3 5.000 . 5.000 4.481 2.711 5.030 0.030 12 0 "[ . 1 . 2 ]" 1
1065 1 56 LYS H 1 56 LYS QG 4.500 . 4.500 2.646 1.917 4.038 . 0 0 "[ . 1 . 2 ]" 1
1066 1 55 GLY HA2 1 57 VAL H 5.000 . 5.000 4.583 3.736 5.480 0.480 1 0 "[ . 1 . 2 ]" 1
1067 1 52 ASP QB 1 59 PHE HZ 5.000 . 5.000 4.869 4.575 4.936 . 0 0 "[ . 1 . 2 ]" 1
1068 1 61 LYS H 1 61 LYS HG3 5.000 . 5.000 3.815 2.396 4.791 . 0 0 "[ . 1 . 2 ]" 1
1069 1 63 ASP H 1 66 ALA MB 6.000 . 6.000 3.937 3.507 4.481 . 0 0 "[ . 1 . 2 ]" 1
1070 1 64 VAL H 1 64 VAL QG 3.500 . 3.500 2.022 1.851 2.203 . 0 0 "[ . 1 . 2 ]" 1
1071 1 65 ASP H 1 66 ALA MB 6.000 . 6.000 4.375 3.950 4.592 . 0 0 "[ . 1 . 2 ]" 1
1072 1 64 VAL QG 1 65 ASP H 5.000 . 5.000 2.878 2.018 3.576 . 0 0 "[ . 1 . 2 ]" 1
1073 1 67 VAL QG 1 69 ALA H 6.000 . 6.000 4.057 3.536 4.474 . 0 0 "[ . 1 . 2 ]" 1
1074 1 67 VAL HA 1 69 ALA H 5.000 . 5.000 3.532 3.227 4.167 . 0 0 "[ . 1 . 2 ]" 1
1075 1 70 VAL H 1 70 VAL HB 3.500 . 3.500 2.526 2.381 2.632 . 0 0 "[ . 1 . 2 ]" 1
1076 1 67 VAL QG 1 70 VAL H 4.500 . 4.500 2.815 2.015 3.479 . 0 0 "[ . 1 . 2 ]" 1
1077 1 72 GLU H 1 72 GLU QG 3.500 . 3.500 2.425 2.143 3.429 . 0 0 "[ . 1 . 2 ]" 1
1078 1 71 ALA HA 1 73 ALA H 5.000 . 5.000 4.717 4.266 4.915 . 0 0 "[ . 1 . 2 ]" 1
1079 1 72 GLU QG 1 73 ALA H 5.000 . 5.000 2.611 2.226 4.155 . 0 0 "[ . 1 . 2 ]" 1
1080 1 76 ILE H 1 76 ILE HG12 5.000 . 5.000 3.091 2.116 4.195 . 0 0 "[ . 1 . 2 ]" 1
1081 1 77 THR H 1 78 ALA MB 6.000 . 6.000 4.300 3.931 4.899 . 0 0 "[ . 1 . 2 ]" 1
1082 1 76 ILE MG 1 78 ALA H 6.000 . 6.000 4.205 3.571 4.693 . 0 0 "[ . 1 . 2 ]" 1
1083 1 79 MET H 1 79 MET HG2 5.000 . 5.000 3.617 2.424 4.559 . 0 0 "[ . 1 . 2 ]" 1
1084 1 79 MET H 1 79 MET ME 6.000 . 6.000 3.332 2.232 4.382 . 0 0 "[ . 1 . 2 ]" 1
1085 1 79 MET H 1 79 MET HG3 5.000 . 5.000 3.458 2.231 4.271 . 0 0 "[ . 1 . 2 ]" 1
1086 1 30 ASP HA 1 82 PHE HZ 5.000 . 5.000 4.679 4.179 5.066 0.066 22 0 "[ . 1 . 2 ]" 1
1087 1 30 ASP HB2 1 82 PHE HZ 5.000 . 5.000 4.213 3.706 4.731 . 0 0 "[ . 1 . 2 ]" 1
1088 1 82 PHE H 1 94 LEU MD1 6.000 . 6.000 4.495 2.737 5.581 . 0 0 "[ . 1 . 2 ]" 1
1089 1 82 PHE HZ 1 102 LEU MD1 6.000 . 6.000 3.964 2.790 4.946 . 0 0 "[ . 1 . 2 ]" 1
1090 1 82 PHE QD 1 102 LEU MD1 8.000 . 8.000 3.016 2.323 4.263 . 0 0 "[ . 1 . 2 ]" 1
1091 1 31 PHE QD 1 83 HIS H 7.000 . 7.000 3.413 2.909 4.065 . 0 0 "[ . 1 . 2 ]" 1
1092 1 29 VAL MG1 1 83 HIS H 4.500 . 4.500 3.221 1.942 4.224 . 0 0 "[ . 1 . 2 ]" 1
1093 1 83 HIS HB2 1 85 TYR QE 7.000 . 7.000 2.445 2.184 3.165 . 0 0 "[ . 1 . 2 ]" 1
1094 1 27 ILE MG 1 85 TYR QD 8.000 . 8.000 3.821 2.330 5.870 . 0 0 "[ . 1 . 2 ]" 1
1095 1 83 HIS HB3 1 85 TYR QE 5.500 . 5.500 2.475 2.191 3.037 . 0 0 "[ . 1 . 2 ]" 1
1096 1 85 TYR QE 1 90 LYS HD3 7.000 . 7.000 3.952 2.530 5.310 . 0 0 "[ . 1 . 2 ]" 1
1097 1 85 TYR H 1 85 TYR QE 7.000 . 7.000 4.867 4.540 5.450 . 0 0 "[ . 1 . 2 ]" 1
1098 1 86 LYS H 1 86 LYS QD 6.000 . 6.000 4.376 3.961 4.901 . 0 0 "[ . 1 . 2 ]" 1
1099 1 86 LYS H 1 86 LYS QG 5.000 . 5.000 3.212 2.412 4.082 . 0 0 "[ . 1 . 2 ]" 1
1100 1 88 GLY H 1 89 VAL H 5.000 . 5.000 2.045 1.633 3.321 . 0 0 "[ . 1 . 2 ]" 1
1101 1 89 VAL H 1 89 VAL HB 3.500 . 3.500 3.035 2.467 3.570 0.070 23 0 "[ . 1 . 2 ]" 1
1102 1 89 VAL H 1 89 VAL MG1 4.500 . 4.500 2.867 1.867 3.977 . 0 0 "[ . 1 . 2 ]" 1
1103 1 85 TYR QE 1 90 LYS H 7.000 . 7.000 3.424 2.897 4.949 . 0 0 "[ . 1 . 2 ]" 1
1104 1 90 LYS H 1 90 LYS HB2 3.500 . 3.500 2.344 2.153 2.505 . 0 0 "[ . 1 . 2 ]" 1
1105 1 85 TYR HB3 1 90 LYS H 5.000 . 5.000 4.667 3.671 5.058 0.058 20 0 "[ . 1 . 2 ]" 1
1106 1 90 LYS H 1 90 LYS HG2 5.000 . 5.000 4.515 4.461 4.560 . 0 0 "[ . 1 . 2 ]" 1
1107 1 90 LYS H 1 90 LYS HB3 3.500 . 3.500 2.648 2.475 2.813 . 0 0 "[ . 1 . 2 ]" 1
1108 1 90 LYS H 1 90 LYS HG3 5.000 . 5.000 4.311 4.100 4.436 . 0 0 "[ . 1 . 2 ]" 1
1109 1 86 LYS H 1 91 ALA H 5.000 . 5.000 2.938 2.546 3.565 . 0 0 "[ . 1 . 2 ]" 1
1110 1 90 LYS HG3 1 92 ASP H 5.000 . 5.000 3.923 3.186 4.371 . 0 0 "[ . 1 . 2 ]" 1
1111 1 84 VAL HB 1 92 ASP H 5.000 . 5.000 2.704 2.517 3.232 . 0 0 "[ . 1 . 2 ]" 1
1112 1 93 ASP H 1 94 LEU QB 5.000 . 5.000 4.326 4.112 4.673 . 0 0 "[ . 1 . 2 ]" 1
1113 1 81 THR MG 1 94 LEU H 6.000 . 6.000 3.508 2.948 3.921 . 0 0 "[ . 1 . 2 ]" 1
1114 1 94 LEU H 1 94 LEU HG 5.000 . 5.000 4.543 2.970 5.055 0.055 4 0 "[ . 1 . 2 ]" 1
1115 1 95 VAL H 1 95 VAL MG1 4.500 . 4.500 2.981 2.317 3.878 . 0 0 "[ . 1 . 2 ]" 1
1116 1 95 VAL H 1 95 VAL HA 2.900 . 2.900 2.944 2.903 2.964 0.064 13 0 "[ . 1 . 2 ]" 1
1117 1 80 PRO HB2 1 96 GLY H 5.000 . 5.000 4.210 3.223 5.014 0.014 9 0 "[ . 1 . 2 ]" 1
1118 1 42 ILE MD 1 97 ALA H 6.000 . 6.000 4.127 3.505 4.845 . 0 0 "[ . 1 . 2 ]" 1
1119 1 99 GLN H 1 99 GLN HG3 5.000 . 5.000 3.396 2.001 4.563 . 0 0 "[ . 1 . 2 ]" 1
1120 1 45 LEU HG 1 99 GLN QE 5.000 . 5.000 4.429 3.141 4.888 . 0 0 "[ . 1 . 2 ]" 1
1121 1 99 GLN H 1 99 GLN HG2 5.000 . 5.000 3.092 1.999 4.591 . 0 0 "[ . 1 . 2 ]" 1
1122 1 98 SER HA 1 100 ASP H 5.000 . 5.000 3.715 3.372 4.302 . 0 0 "[ . 1 . 2 ]" 1
1123 1 101 LYS H 1 101 LYS HG3 5.000 . 5.000 4.375 2.371 4.575 . 0 0 "[ . 1 . 2 ]" 1
1124 1 101 LYS H 1 101 LYS QD 6.000 . 6.000 4.436 3.712 4.829 . 0 0 "[ . 1 . 2 ]" 1
1125 1 102 LEU H 1 102 LEU HG 5.000 . 5.000 4.266 2.499 4.575 . 0 0 "[ . 1 . 2 ]" 1
1126 1 103 LYS H 1 103 LYS QG 4.500 . 4.500 2.602 2.125 3.962 . 0 0 "[ . 1 . 2 ]" 1
1127 1 103 LYS H 1 103 LYS HB2 3.500 . 3.500 2.376 2.192 2.543 . 0 0 "[ . 1 . 2 ]" 1
1128 1 103 LYS H 1 103 LYS HB3 3.500 . 3.500 3.378 2.624 3.587 0.087 19 0 "[ . 1 . 2 ]" 1
1129 1 103 LYS H 1 103 LYS QD 5.000 . 5.000 3.863 3.294 4.474 . 0 0 "[ . 1 . 2 ]" 1
1130 1 108 LYS H 1 108 LYS HG3 5.000 . 5.000 4.370 3.463 4.641 . 0 0 "[ . 1 . 2 ]" 1
1131 1 108 LYS H 1 108 LYS HG2 5.000 . 5.000 4.156 2.240 4.505 . 0 0 "[ . 1 . 2 ]" 1
1132 1 108 LYS H 1 108 LYS HB3 3.500 . 3.500 2.359 2.131 2.533 . 0 0 "[ . 1 . 2 ]" 1
1133 1 108 LYS H 1 108 LYS HB2 3.500 . 3.500 2.661 2.376 3.584 0.084 6 0 "[ . 1 . 2 ]" 1
1134 1 108 LYS H 1 108 LYS HD2 5.000 . 5.000 4.912 3.924 5.930 0.930 10 3 "[ * + -. 2 ]" 1
1135 1 109 HIS H 1 109 HIS HD2 5.000 . 5.000 2.740 2.507 2.975 . 0 0 "[ . 1 . 2 ]" 1
1136 1 108 LYS HG3 1 109 HIS HD2 5.000 . 5.000 4.562 2.551 5.083 0.083 7 0 "[ . 1 . 2 ]" 1
1137 1 109 HIS H 1 109 HIS HB3 3.500 . 3.500 3.570 3.530 3.671 0.171 23 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 90
_Distance_constraint_stats_list.Viol_count 241
_Distance_constraint_stats_list.Viol_total 4833.664
_Distance_constraint_stats_list.Viol_max 3.548
_Distance_constraint_stats_list.Viol_rms 0.3674
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1015
_Distance_constraint_stats_list.Viol_average_violations_only 0.8720
_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 3 SER 5.565 1.458 1 3 "[+ . 1 . 2-* ]"
1 5 ILE 31.618 3.145 7 13 "[ **. +*** ***-***2 ]"
1 7 ILE 46.313 3.109 19 13 "[ **. **-* *** **+2 *]"
1 9 SER 8.754 1.168 20 5 "[ . * 1* * -+ ]"
1 10 LYS 5.640 0.805 7 3 "[ . + *1 - 2 ]"
1 11 ALA 12.418 1.794 7 4 "[ . + *1 .-* 2 ]"
1 12 ALA 1.162 0.850 19 1 "[ . 1 . +2 ]"
1 13 TRP 12.787 1.585 19 6 "[ . * 1* * - +* ]"
1 14 ASP 7.749 0.805 7 4 "[ . + *1 - * 2 ]"
1 15 ALA 12.418 1.794 7 4 "[ . + *1 .-* 2 ]"
1 16 GLN 1.162 0.850 19 1 "[ . 1 . +2 ]"
1 17 LEU 4.033 1.585 19 2 "[ . 1 . - +2 ]"
1 18 ALA 2.109 0.656 18 1 "[ . 1 . + 2 ]"
1 19 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 ILE 22.945 2.195 9 9 "[ . -*+1* * .** ** ]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 VAL 0.890 0.387 16 0 "[ . 1 . 2 ]"
1 30 ASP 0.249 0.249 21 0 "[ . 1 . 2 ]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 THR 8.265 1.276 2 4 "[ + - 1 * . 2 * ]"
1 36 CYS 12.998 2.135 10 5 "[ . + .*-* 2* ]"
1 39 CYS 12.998 2.135 10 5 "[ . + .*-* 2* ]"
1 42 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 PRO 1.223 0.629 23 1 "[ . 1 . 2 +]"
1 45 LEU 4.034 0.892 23 2 "[- . 1 . 2 +]"
1 46 PHE 2.462 0.822 13 2 "[ - 1 + . 2 ]"
1 47 GLU 2.591 0.814 13 2 "[ * 1 + . 2 ]"
1 48 THR 1.223 0.629 23 1 "[ . 1 . 2 +]"
1 49 LEU 5.544 0.892 23 2 "[- . 1 . 2 +]"
1 50 SER 2.462 0.822 13 2 "[ - 1 + . 2 ]"
1 51 ASN 2.591 0.814 13 2 "[ * 1 + . 2 ]"
1 53 TYR 1.510 0.422 21 0 "[ . 1 . 2 ]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 59 PHE 5.565 1.458 1 3 "[+ . 1 . 2-* ]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 LYS 77.931 3.145 7 14 "[ **. +*** ***-***2 *]"
1 62 VAL 4.086 0.897 13 2 "[ - 1 + . 2 ]"
1 63 ASP 0.885 0.405 10 0 "[ . 1 . 2 ]"
1 64 VAL 4.427 1.276 2 3 "[ + - 1 . 2 * ]"
1 67 VAL 0.885 0.405 10 0 "[ . 1 . 2 ]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 PHE 3.456 0.842 11 4 "[ .- 1+ *. * 2 ]"
1 83 HIS 0.890 0.387 16 0 "[ . 1 . 2 ]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 TYR 22.945 2.195 9 9 "[ . -*+1* * .** ** ]"
1 86 LYS 27.915 3.548 2 9 "[*+ . **1* - * * *]"
1 89 VAL 27.915 3.548 2 9 "[*+ . **1* - * * *]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 LEU 3.456 0.842 11 4 "[ .- 1+ *. * 2 ]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 100 ASP 2.084 0.973 19 1 "[ . 1 . +2 ]"
1 101 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 104 ALA 3.125 0.973 19 2 "[ . 1 . +2 -]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 106 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 108 LYS 1.040 0.619 23 1 "[ . 1 . 2 +]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 ALA O 1 19 LYS H . . 2.300 1.895 1.796 2.106 . 0 0 "[ . 1 . 2 ]" 2
2 1 15 ALA O 1 19 LYS N . 2.500 3.300 2.890 2.749 3.102 . 0 0 "[ . 1 . 2 ]" 2
3 1 47 GLU O 1 51 ASN H . . 2.300 1.976 1.802 3.114 0.814 13 2 "[ - 1 + . 2 ]" 2
4 1 47 GLU O 1 51 ASN N . 2.500 3.300 2.940 2.787 3.949 0.649 13 1 "[ . 1 + . 2 ]" 2
5 1 99 GLN O 1 103 LYS H . . 2.300 1.888 1.825 2.044 . 0 0 "[ . 1 . 2 ]" 2
6 1 99 GLN O 1 103 LYS N . 2.500 3.300 2.893 2.834 3.048 . 0 0 "[ . 1 . 2 ]" 2
7 1 102 LEU O 1 106 VAL H . . 2.300 1.909 1.807 2.172 . 0 0 "[ . 1 . 2 ]" 2
8 1 102 LEU O 1 106 VAL N . 2.500 3.300 2.915 2.813 3.176 . 0 0 "[ . 1 . 2 ]" 2
9 1 103 LYS O 1 107 ALA H . . 2.300 1.879 1.807 2.007 . 0 0 "[ . 1 . 2 ]" 2
10 1 103 LYS O 1 107 ALA N . 2.500 3.300 2.885 2.801 3.019 . 0 0 "[ . 1 . 2 ]" 2
11 1 5 ILE O 1 61 LYS H . . 2.300 2.942 1.858 5.445 3.145 7 13 "[ **. +*** ***-***2 ]" 2
12 1 5 ILE O 1 61 LYS N . 2.500 3.300 3.785 2.869 6.376 3.076 7 11 "[ *. +*** **.-***2 ]" 2
13 1 28 VAL H 1 58 ILE O . . 2.300 1.837 1.789 1.887 . 0 0 "[ . 1 . 2 ]" 2
14 1 28 VAL N 1 58 ILE O . 2.500 3.300 2.799 2.747 2.863 . 0 0 "[ . 1 . 2 ]" 2
15 1 30 ASP H 1 60 LEU O . . 2.300 1.836 1.785 1.933 . 0 0 "[ . 1 . 2 ]" 2
16 1 30 ASP N 1 60 LEU O . 2.500 3.300 2.832 2.763 2.891 . 0 0 "[ . 1 . 2 ]" 2
17 1 27 ILE O 1 85 TYR H . . 2.300 1.870 1.794 1.948 . 0 0 "[ . 1 . 2 ]" 2
18 1 27 ILE O 1 85 TYR N . 2.500 3.300 2.862 2.795 2.930 . 0 0 "[ . 1 . 2 ]" 2
19 1 29 VAL H 1 83 HIS O . . 2.300 1.825 1.762 1.957 . 0 0 "[ . 1 . 2 ]" 2
20 1 29 VAL N 1 83 HIS O . 2.500 3.300 2.827 2.763 2.938 . 0 0 "[ . 1 . 2 ]" 2
21 1 82 PHE O 1 94 LEU H . . 2.300 2.145 1.812 3.142 0.842 11 4 "[ .- 1+ *. * 2 ]" 2
22 1 82 PHE O 1 94 LEU N . 2.500 3.300 2.850 2.712 3.260 . 0 0 "[ . 1 . 2 ]" 2
23 1 82 PHE H 1 94 LEU O . . 2.300 1.798 1.768 1.862 . 0 0 "[ . 1 . 2 ]" 2
24 1 82 PHE N 1 94 LEU O . 2.500 3.300 2.775 2.733 2.830 . 0 0 "[ . 1 . 2 ]" 2
25 1 84 VAL H 1 92 ASP O . . 2.300 1.848 1.801 1.951 . 0 0 "[ . 1 . 2 ]" 2
26 1 84 VAL N 1 92 ASP O . 2.500 3.300 2.827 2.750 2.902 . 0 0 "[ . 1 . 2 ]" 2
27 1 7 ILE H 1 61 LYS O . . 2.300 3.329 1.817 5.409 3.109 19 13 "[ **. *-** *** **+2 *]" 2
28 1 7 ILE N 1 61 LYS O . 2.500 3.300 3.905 2.802 5.418 2.118 19 13 "[ **. **-* *** **+2 *]" 2
29 1 9 SER O 1 13 TRP H . . 2.300 2.240 1.777 3.468 1.168 20 5 "[ . * 1* * -+ ]" 2
30 1 9 SER O 1 13 TRP N . 2.500 3.300 3.145 2.769 4.089 0.789 11 5 "[ . * 1+ * -* ]" 2
31 1 10 LYS O 1 14 ASP H . . 2.300 2.127 1.781 3.105 0.805 7 3 "[ . + *1 - 2 ]" 2
32 1 10 LYS O 1 14 ASP N . 2.500 3.300 3.114 2.794 4.016 0.716 7 2 "[ . + -1 . 2 ]" 2
33 1 11 ALA O 1 15 ALA H . . 2.300 2.272 1.839 4.094 1.794 7 4 "[ . + *1 .-* 2 ]" 2
34 1 11 ALA O 1 15 ALA N . 2.500 3.300 3.226 2.824 5.060 1.760 7 4 "[ . + *1 .-* 2 ]" 2
35 1 12 ALA O 1 16 GLN H . . 2.300 1.890 1.789 3.150 0.850 19 1 "[ . 1 . +2 ]" 2
36 1 12 ALA O 1 16 GLN N . 2.500 3.300 2.850 2.715 3.612 0.312 19 0 "[ . 1 . 2 ]" 2
37 1 13 TRP O 1 17 LEU H . . 2.300 2.026 1.799 3.885 1.585 19 2 "[ . 1 . - +2 ]" 2
38 1 13 TRP O 1 17 LEU N . 2.500 3.300 3.000 2.796 4.557 1.257 19 2 "[ . 1 . - +2 ]" 2
39 1 14 ASP O 1 18 ALA H . . 2.300 2.085 1.796 2.956 0.656 18 1 "[ . 1 . + 2 ]" 2
40 1 14 ASP O 1 18 ALA N . 2.500 3.300 2.999 2.800 3.504 0.204 18 0 "[ . 1 . 2 ]" 2
41 1 27 ILE H 1 85 TYR O . . 2.300 2.630 1.771 4.495 2.195 9 9 "[ . **+1* * .** -* ]" 2
42 1 27 ILE N 1 85 TYR O . 2.500 3.300 3.519 2.762 5.286 1.986 9 9 "[ . -*+1* * .** ** ]" 2
43 1 31 PHE H 1 81 THR O . . 2.300 1.861 1.819 1.934 . 0 0 "[ . 1 . 2 ]" 2
44 1 31 PHE N 1 81 THR O . 2.500 3.300 2.822 2.759 2.882 . 0 0 "[ . 1 . 2 ]" 2
45 1 32 THR H 1 62 VAL O . . 2.300 2.161 1.870 3.197 0.897 13 2 "[ - 1 + . 2 ]" 2
46 1 32 THR N 1 62 VAL O . 2.500 3.300 3.135 2.851 4.062 0.762 13 2 "[ - 1 + . 2 ]" 2
47 1 36 CYS O 1 39 CYS H . . 2.300 2.361 1.811 4.435 2.135 10 5 "[ . + .*-* 2* ]" 2
48 1 36 CYS O 1 39 CYS N . 2.500 3.300 3.211 2.724 5.348 2.048 10 4 "[ . + .* - 2* ]" 2
49 1 42 ILE O 1 46 PHE H . . 2.300 1.864 1.784 1.971 . 0 0 "[ . 1 . 2 ]" 2
50 1 42 ILE O 1 46 PHE N . 2.500 3.300 2.870 2.794 2.986 . 0 0 "[ . 1 . 2 ]" 2
51 1 43 ALA O 1 47 GLU H . . 2.300 1.821 1.766 1.919 . 0 0 "[ . 1 . 2 ]" 2
52 1 43 ALA O 1 47 GLU N . 2.500 3.300 2.784 2.703 2.891 . 0 0 "[ . 1 . 2 ]" 2
53 1 44 PRO O 1 48 THR H . . 2.300 1.947 1.822 2.929 0.629 23 1 "[ . 1 . 2 +]" 2
54 1 44 PRO O 1 48 THR N . 2.500 3.300 2.833 2.653 3.697 0.397 23 0 "[ . 1 . 2 ]" 2
55 1 45 LEU O 1 49 LEU H . . 2.300 2.182 1.910 3.192 0.892 23 2 "[- . 1 . 2 +]" 2
56 1 45 LEU O 1 49 LEU N . 2.500 3.300 3.155 2.889 4.069 0.769 23 2 "[- . 1 . 2 +]" 2
57 1 46 PHE O 1 50 SER H . . 2.300 1.940 1.777 3.122 0.822 13 2 "[ - 1 + . 2 ]" 2
58 1 46 PHE O 1 50 SER N . 2.500 3.300 2.861 2.693 3.798 0.498 13 0 "[ . 1 . 2 ]" 2
59 1 49 LEU O 1 53 TYR H . . 2.300 1.985 1.787 2.722 0.422 21 0 "[ . 1 . 2 ]" 2
60 1 49 LEU O 1 53 TYR N . 2.500 3.300 2.971 2.756 3.655 0.355 21 0 "[ . 1 . 2 ]" 2
61 1 26 PRO O 1 58 ILE H . . 2.300 1.916 1.831 2.144 . 0 0 "[ . 1 . 2 ]" 2
62 1 26 PRO O 1 58 ILE N . 2.500 3.300 2.924 2.831 3.139 . 0 0 "[ . 1 . 2 ]" 2
63 1 3 SER O 1 59 PHE H . . 2.300 2.076 1.814 3.758 1.458 1 3 "[+ . 1 . 2-* ]" 2
64 1 3 SER O 1 59 PHE N . 2.500 3.300 2.991 2.706 4.157 0.857 1 3 "[+ . 1 . 2-* ]" 2
65 1 28 VAL O 1 60 LEU H . . 2.300 1.867 1.785 2.055 . 0 0 "[ . 1 . 2 ]" 2
66 1 28 VAL O 1 60 LEU N . 2.500 3.300 2.842 2.752 2.991 . 0 0 "[ . 1 . 2 ]" 2
67 1 30 ASP O 1 62 VAL H . . 2.300 1.907 1.814 2.549 0.249 21 0 "[ . 1 . 2 ]" 2
68 1 30 ASP O 1 62 VAL N . 2.500 3.300 2.864 2.806 3.156 . 0 0 "[ . 1 . 2 ]" 2
69 1 32 THR O 1 64 VAL H . . 2.300 1.991 1.772 3.576 1.276 2 3 "[ + - 1 . 2 * ]" 2
70 1 32 THR O 1 64 VAL N . 2.500 3.300 2.955 2.703 4.431 1.131 2 1 "[ + . 1 . 2 ]" 2
71 1 63 ASP O 1 67 VAL H . . 2.300 2.004 1.810 2.705 0.405 10 0 "[ . 1 . 2 ]" 2
72 1 63 ASP O 1 67 VAL N . 2.500 3.300 2.960 2.764 3.628 0.328 10 0 "[ . 1 . 2 ]" 2
73 1 31 PHE O 1 81 THR H . . 2.300 1.856 1.814 1.925 . 0 0 "[ . 1 . 2 ]" 2
74 1 31 PHE O 1 81 THR N . 2.500 3.300 2.826 2.756 2.881 . 0 0 "[ . 1 . 2 ]" 2
75 1 29 VAL O 1 83 HIS H . . 2.300 2.032 1.816 2.687 0.387 16 0 "[ . 1 . 2 ]" 2
76 1 29 VAL O 1 83 HIS N . 2.500 3.300 3.007 2.811 3.560 0.260 16 0 "[ . 1 . 2 ]" 2
77 1 86 LYS H 1 89 VAL O . . 2.300 2.470 1.839 4.104 1.804 9 6 "[- . *+1* . * * ]" 2
78 1 86 LYS N 1 89 VAL O . 2.500 3.300 3.150 2.772 4.053 0.753 9 2 "[ . +1 . - ]" 2
79 1 86 LYS O 1 89 VAL H . . 2.300 2.560 1.862 5.848 3.548 2 5 "[ + . *1 - * *]" 2
80 1 86 LYS O 1 89 VAL N . 2.500 3.300 3.328 2.723 6.416 3.116 2 4 "[ + . -1 . * *]" 2
81 1 84 VAL O 1 91 ALA H . . 2.300 1.880 1.787 2.193 . 0 0 "[ . 1 . 2 ]" 2
82 1 84 VAL O 1 91 ALA N . 2.500 3.300 2.764 2.688 2.948 . 0 0 "[ . 1 . 2 ]" 2
83 1 98 SER O 1 102 LEU H . . 2.300 1.831 1.803 1.911 . 0 0 "[ . 1 . 2 ]" 2
84 1 98 SER O 1 102 LEU N . 2.500 3.300 2.799 2.745 2.901 . 0 0 "[ . 1 . 2 ]" 2
85 1 100 ASP O 1 104 ALA H . . 2.300 2.005 1.848 3.273 0.973 19 1 "[ . 1 . +2 ]" 2
86 1 100 ASP O 1 104 ALA N . 2.500 3.300 3.005 2.851 4.184 0.884 19 1 "[ . 1 . +2 ]" 2
87 1 101 LYS O 1 105 LEU H . . 2.300 1.822 1.781 1.999 . 0 0 "[ . 1 . 2 ]" 2
88 1 101 LYS O 1 105 LEU N . 2.500 3.300 2.792 2.703 2.978 . 0 0 "[ . 1 . 2 ]" 2
89 1 104 ALA O 1 108 LYS H . . 2.300 1.888 1.788 2.919 0.619 23 1 "[ . 1 . 2 +]" 2
90 1 104 ALA O 1 108 LYS N . 2.500 3.300 2.882 2.787 3.722 0.422 23 0 "[ . 1 . 2 ]" 2
stop_
save_
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