NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448308 |
2npu   |
6760 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2npu
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 1332
_Distance_constraint_stats_list.Viol_count 3319
_Distance_constraint_stats_list.Viol_total 9618.569
_Distance_constraint_stats_list.Viol_max 0.994
_Distance_constraint_stats_list.Viol_rms 0.0394
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0906
_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 26 MET 0.075 0.075 23 0 "[ . 1 . 2 . 3 ]"
1 27 GLU 1.482 0.189 22 0 "[ . 1 . 2 . 3 ]"
1 28 LEU 7.344 0.454 24 0 "[ . 1 . 2 . 3 ]"
1 29 ILE 13.527 0.454 24 0 "[ . 1 . 2 . 3 ]"
1 30 ARG 11.694 0.649 10 4 "[ . *-+ . 2 * 3 ]"
1 31 VAL 8.455 0.407 32 0 "[ . 1 . 2 . 3 ]"
1 32 PRO 11.707 0.220 22 0 "[ . 1 . 2 . 3 ]"
1 33 ILE 8.175 0.433 28 0 "[ . 1 . 2 . 3 ]"
1 34 LEU 6.773 0.433 28 0 "[ . 1 . 2 . 3 ]"
1 35 TRP 10.278 0.410 19 0 "[ . 1 . 2 . 3 ]"
1 36 HIS 8.465 0.410 19 0 "[ . 1 . 2 . 3 ]"
1 37 GLU 0.043 0.022 7 0 "[ . 1 . 2 . 3 ]"
1 38 MET 7.040 0.855 15 2 "[ . 1 + 2 - . 3 ]"
1 39 TRP 16.766 0.304 26 0 "[ . 1 . 2 . 3 ]"
1 40 HIS 0.088 0.024 15 0 "[ . 1 . 2 . 3 ]"
1 41 GLU 2.921 0.855 15 2 "[ . 1 + 2 - . 3 ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 43 LEU 9.127 0.358 23 0 "[ . 1 . 2 . 3 ]"
1 44 GLU 16.527 0.891 31 11 "[ *.- 1 * ** * 2 * .*** 3+ ]"
1 45 GLU 1.457 0.105 30 0 "[ . 1 . 2 . 3 ]"
1 46 ALA 3.331 0.184 27 0 "[ . 1 . 2 . 3 ]"
1 47 SER 3.247 0.776 1 1 "[+ . 1 . 2 . 3 ]"
1 48 ARG 1.867 0.196 29 0 "[ . 1 . 2 . 3 ]"
1 49 LEU 4.293 0.281 30 0 "[ . 1 . 2 . 3 ]"
1 50 TYR 2.244 0.110 30 0 "[ . 1 . 2 . 3 ]"
1 51 PHE 4.278 0.776 1 1 "[+ . 1 . 2 . 3 ]"
1 52 GLY 4.633 0.225 9 0 "[ . 1 . 2 . 3 ]"
1 53 GLU 8.569 0.901 8 8 "[ .* + 1** -. * *.* 3 ]"
1 54 ARG 14.948 0.901 8 6 "[ . + 1** -. * *. 3 ]"
1 55 ASN 5.766 0.681 6 2 "[ .+ 1 . 2 .- 3 ]"
1 56 VAL 1.266 0.149 31 0 "[ . 1 . 2 . 3 ]"
1 57 LYS 2.806 0.343 13 0 "[ . 1 . 2 . 3 ]"
1 58 GLY 2.182 0.396 32 0 "[ . 1 . 2 . 3 ]"
1 59 MET 4.052 0.201 13 0 "[ . 1 . 2 . 3 ]"
1 60 PHE 6.531 0.201 13 0 "[ . 1 . 2 . 3 ]"
1 61 GLU 3.507 0.396 32 0 "[ . 1 . 2 . 3 ]"
1 62 VAL 3.377 0.184 27 0 "[ . 1 . 2 . 3 ]"
1 63 LEU 6.427 0.180 27 0 "[ . 1 . 2 . 3 ]"
1 64 GLU 7.485 0.167 12 0 "[ . 1 . 2 . 3 ]"
1 65 PRO 6.256 0.180 27 0 "[ . 1 . 2 . 3 ]"
1 66 LEU 6.887 0.468 12 0 "[ . 1 . 2 . 3 ]"
1 67 HIS 0.042 0.021 12 0 "[ . 1 . 2 . 3 ]"
1 68 ALA 2.279 0.148 1 0 "[ . 1 . 2 . 3 ]"
1 69 MET 8.645 0.312 29 0 "[ . 1 . 2 . 3 ]"
1 70 MET 6.207 0.204 12 0 "[ . 1 . 2 . 3 ]"
1 71 GLU 1.477 0.070 30 0 "[ . 1 . 2 . 3 ]"
1 72 ARG 5.994 0.190 21 0 "[ . 1 . 2 . 3 ]"
1 73 GLY 4.270 0.204 12 0 "[ . 1 . 2 . 3 ]"
1 74 PRO 0.114 0.033 4 0 "[ . 1 . 2 . 3 ]"
1 75 GLN 7.861 0.676 12 4 "[ . * - + . *2 . 3 ]"
1 76 THR 0.308 0.069 7 0 "[ . 1 . 2 . 3 ]"
1 77 LEU 4.863 0.773 16 1 "[ . 1 .+ 2 . 3 ]"
1 78 LYS 0.328 0.069 7 0 "[ . 1 . 2 . 3 ]"
1 79 GLU 0.135 0.027 7 0 "[ . 1 . 2 . 3 ]"
1 80 THR 3.323 0.823 16 1 "[ . 1 .+ 2 . 3 ]"
1 81 SER 0.318 0.106 21 0 "[ . 1 . 2 . 3 ]"
1 82 PHE 7.498 0.205 24 0 "[ . 1 . 2 . 3 ]"
1 83 ASN 1.304 0.119 23 0 "[ . 1 . 2 . 3 ]"
1 84 GLN 5.690 0.823 16 1 "[ . 1 .+ 2 . 3 ]"
1 85 ALA 1.986 0.157 23 0 "[ . 1 . 2 . 3 ]"
1 86 TYR 14.378 0.309 5 0 "[ . 1 . 2 . 3 ]"
1 87 GLY 3.568 0.258 26 0 "[ . 1 . 2 . 3 ]"
1 88 ARG 3.503 0.324 6 0 "[ . 1 . 2 . 3 ]"
1 89 ASP 10.209 0.356 32 0 "[ . 1 . 2 . 3 ]"
1 90 LEU 9.077 0.380 31 0 "[ . 1 . 2 . 3 ]"
1 91 MET 6.795 0.380 31 0 "[ . 1 . 2 . 3 ]"
1 92 GLU 8.694 0.627 25 1 "[ . 1 . 2 + 3 ]"
1 93 ALA 3.835 0.320 25 0 "[ . 1 . 2 . 3 ]"
1 94 GLN 1.623 0.091 18 0 "[ . 1 . 2 . 3 ]"
1 95 GLU 7.261 0.234 25 0 "[ . 1 . 2 . 3 ]"
1 96 TRP 9.889 0.448 25 0 "[ . 1 . 2 . 3 ]"
1 97 CYS 3.252 0.238 12 0 "[ . 1 . 2 . 3 ]"
1 98 ARG 0.949 0.238 12 0 "[ . 1 . 2 . 3 ]"
1 99 LYS 0.069 0.032 3 0 "[ . 1 . 2 . 3 ]"
1 100 TYR 1.341 0.114 6 0 "[ . 1 . 2 . 3 ]"
1 101 MET 5.747 0.151 18 0 "[ . 1 . 2 . 3 ]"
1 102 LYS 2.310 0.224 19 0 "[ . 1 . 2 . 3 ]"
1 103 SER 0.448 0.224 19 0 "[ . 1 . 2 . 3 ]"
1 104 GLY 2.804 0.151 18 0 "[ . 1 . 2 . 3 ]"
1 105 ASN 1.319 0.134 20 0 "[ . 1 . 2 . 3 ]"
1 106 VAL 4.239 0.186 23 0 "[ . 1 . 2 . 3 ]"
1 107 LYS 0.306 0.090 15 0 "[ . 1 . 2 . 3 ]"
1 108 ASP 1.882 0.193 7 0 "[ . 1 . 2 . 3 ]"
1 109 LEU 5.213 0.186 23 0 "[ . 1 . 2 . 3 ]"
1 110 THR 2.152 0.134 13 0 "[ . 1 . 2 . 3 ]"
1 111 GLN 2.152 0.343 21 0 "[ . 1 . 2 . 3 ]"
1 112 ALA 1.544 0.108 12 0 "[ . 1 . 2 . 3 ]"
1 113 TRP 7.965 0.323 16 0 "[ . 1 . 2 . 3 ]"
1 114 ASP 1.833 0.311 31 0 "[ . 1 . 2 . 3 ]"
1 115 LEU 4.087 0.627 25 1 "[ . 1 . 2 + 3 ]"
1 116 TYR 1.559 0.140 15 0 "[ . 1 . 2 . 3 ]"
1 117 TYR 8.329 0.205 20 0 "[ . 1 . 2 . 3 ]"
1 118 HIS 6.208 0.518 19 1 "[ . 1 . +2 . 3 ]"
1 119 VAL 6.736 0.518 19 1 "[ . 1 . +2 . 3 ]"
1 120 PHE 12.128 0.358 23 0 "[ . 1 . 2 . 3 ]"
1 121 ARG 3.036 0.204 10 0 "[ . 1 . 2 . 3 ]"
1 122 ARG 12.026 0.948 22 10 "[ . * 1 * *2 +*** * 3*-]"
1 123 ILE 23.052 0.942 25 9 "[ . * 1 * *2 **+ * 3*-]"
1 124 SER 3.790 0.994 1 3 "[+ . 1 -. 2 . * 3 ]"
1 125 LYS 4.292 0.994 1 3 "[+ . 1 -. 2 . * 3 ]"
1 126 GLN 1.597 0.220 18 0 "[ . 1 . 2 . 3 ]"
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 1 117 TYR H 1 118 HIS HA . . 6.000 5.368 5.308 5.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 112 ALA MB 1 114 ASP H . . 6.000 4.325 4.232 4.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 100 TYR H 1 102 LYS H . . 6.000 3.976 3.823 4.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 92 GLU H 1 95 GLU H . . 6.000 4.622 4.487 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
5 1 88 ARG H 1 92 GLU H . . 6.000 6.012 5.604 6.109 0.109 15 0 "[ . 1 . 2 . 3 ]" 1
6 1 83 ASN H 1 85 ALA H . . 6.000 4.294 4.078 4.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 82 PHE H 1 85 ALA H . . 6.000 4.416 4.231 4.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
8 1 44 GLU H 1 113 TRP HH2 . . 6.000 5.759 5.456 6.058 0.058 31 0 "[ . 1 . 2 . 3 ]" 1
9 1 40 HIS HA 1 44 GLU H . . 6.000 4.098 3.883 4.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 38 MET ME 1 68 ALA H . . 6.000 5.454 4.951 5.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 61 GLU QB 1 63 LEU H . . 6.000 5.232 5.060 5.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 60 PHE H 1 61 GLU QB . . 6.000 4.816 4.544 5.104 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 57 LYS QD 1 60 PHE H . . 6.000 5.837 5.254 6.147 0.147 28 0 "[ . 1 . 2 . 3 ]" 1
14 1 60 PHE H 1 62 VAL QG . . 6.000 4.767 4.604 4.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 57 LYS H 1 101 MET ME . . 6.000 4.770 3.664 5.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 54 ARG QD 1 56 VAL H . . 6.000 5.778 4.933 6.149 0.149 31 0 "[ . 1 . 2 . 3 ]" 1
17 1 49 LEU HA 1 53 GLU H . . 6.000 2.929 1.912 4.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 50 TYR HA 1 53 GLU H . . 6.000 4.375 3.600 5.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 46 ALA H 1 62 VAL HA . . 6.000 6.099 6.033 6.184 0.184 27 0 "[ . 1 . 2 . 3 ]" 1
20 1 41 GLU HA 1 43 LEU H . . 6.000 4.989 4.836 5.069 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 39 TRP HA 1 43 LEU H . . 6.000 3.533 3.254 3.935 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 57 LYS H 1 57 LYS QE . . 6.000 4.290 3.752 4.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 31 VAL HA 1 33 ILE H . . 6.000 4.211 3.607 5.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 28 LEU QB 1 30 ARG H . . 6.000 5.431 2.413 6.337 0.337 23 0 "[ . 1 . 2 . 3 ]" 1
25 1 28 LEU HG 1 29 ILE H . . 6.000 4.441 2.955 6.023 0.023 23 0 "[ . 1 . 2 . 3 ]" 1
26 1 28 LEU H 1 29 ILE MG . . 6.000 5.978 5.548 6.454 0.454 24 0 "[ . 1 . 2 . 3 ]" 1
27 1 59 MET H 1 62 VAL HB . . 6.000 4.668 4.381 4.873 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 71 GLU H 1 73 GLY H . . 6.000 3.397 3.300 3.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 89 ASP H 1 90 LEU HG . . 6.000 5.310 4.366 6.356 0.356 32 0 "[ . 1 . 2 . 3 ]" 1
30 1 80 THR H 1 84 GLN H . . 6.000 5.938 5.525 6.080 0.080 15 0 "[ . 1 . 2 . 3 ]" 1
31 1 78 LYS H 1 80 THR H . . 6.000 3.696 3.486 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 99 LYS H 1 101 MET H . . 6.000 4.102 3.812 4.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 39 TRP H 1 40 HIS HD2 . . 6.000 5.762 4.046 6.024 0.024 15 0 "[ . 1 . 2 . 3 ]" 1
34 1 39 TRP H 1 120 PHE QE . . 6.000 4.659 4.485 4.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 71 GLU HA 1 73 GLY H . . 6.000 4.159 3.840 4.599 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 32 PRO HA 1 33 ILE MG . . 6.000 4.807 4.025 5.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 31 VAL QG 1 32 PRO HA . . 3.790 3.740 3.653 3.841 0.051 21 0 "[ . 1 . 2 . 3 ]" 1
38 1 31 VAL QG 1 32 PRO HB2 . . 9.120 4.406 4.207 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 78 LYS QB 1 79 GLU HA . . 6.000 4.028 3.764 4.294 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 64 GLU HB3 1 68 ALA MB . . 6.000 4.355 4.257 4.484 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 92 GLU HA 1 95 GLU QG . . 6.000 3.712 3.453 3.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 59 MET HA 1 62 VAL QG . . 6.000 2.635 2.379 2.911 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 57 LYS HA 1 101 MET ME . . 6.000 3.047 2.227 3.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
44 1 122 ARG QG 1 123 ILE HA . . 6.000 5.341 3.600 5.768 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 40 HIS HA 1 123 ILE MD . . 6.000 4.233 3.877 4.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 29 ILE MG 1 31 VAL HA . . 6.000 4.943 3.360 6.191 0.191 7 0 "[ . 1 . 2 . 3 ]" 1
47 1 98 ARG QB 1 99 LYS HA . . 6.000 4.076 3.724 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 97 CYS HA 1 100 TYR QD . . 6.000 3.857 3.272 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
49 1 85 ALA H 1 86 TYR QD . . 6.000 4.816 3.515 5.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 86 TYR QE 1 122 ARG H . . 6.000 4.477 3.560 5.002 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 85 ALA H 1 86 TYR QE . . 6.000 5.805 4.962 6.029 0.029 22 0 "[ . 1 . 2 . 3 ]" 1
52 1 43 LEU HG 1 113 TRP HZ3 . . 6.000 3.213 1.981 4.875 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 86 TYR QE 1 123 ILE HB . . 6.000 4.757 4.622 5.219 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 76 THR H 1 80 THR H . . 6.000 3.709 3.140 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 116 TYR QD 1 118 HIS H . . 6.000 5.786 5.480 6.045 0.045 32 0 "[ . 1 . 2 . 3 ]" 1
56 1 116 TYR QD 1 120 PHE H . . 6.000 5.084 4.733 5.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 48 ARG HA 1 51 PHE H . . 6.000 3.748 3.521 3.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 55 ASN H 1 56 VAL H . . 6.000 3.954 3.427 4.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 57 LYS H 1 60 PHE QD . . 6.000 4.160 3.786 4.651 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 46 ALA MB 1 60 PHE H . . 6.000 4.626 4.468 4.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 56 VAL HB 1 60 PHE H . . 6.000 5.225 4.027 5.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 50 TYR H 1 113 TRP HZ2 . . 6.000 4.848 3.781 5.716 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 107 LYS H 1 109 LEU H . . 6.000 4.023 3.821 4.238 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 91 MET H 1 93 ALA MB . . 6.000 4.901 4.494 5.108 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 97 CYS H 1 98 ARG HA . . 6.000 5.194 5.117 5.289 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 38 MET HA 1 41 GLU H . . 6.000 3.598 3.286 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 89 ASP H 1 90 LEU HA . . 6.000 5.339 5.043 5.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 57 LYS QG 1 58 GLY H . . 6.000 1.929 1.887 2.011 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 87 GLY H 1 90 LEU H . . 6.000 4.759 4.500 5.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 90 LEU H 1 92 GLU H . . 6.000 4.411 4.116 4.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 79 GLU H 1 81 SER H . . 6.000 4.298 4.154 4.701 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 57 LYS H 1 59 MET H . . 6.000 4.515 4.225 4.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 123 ILE HA 1 125 LYS H . . 6.000 5.004 4.698 5.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 62 VAL H 1 64 GLU H . . 6.000 3.682 3.555 3.773 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 60 PHE HA 1 63 LEU H . . 6.000 3.411 3.329 3.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 62 VAL H 1 63 LEU QD . . 6.000 3.176 3.071 3.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 39 TRP HH2 1 86 TYR QE . . 6.000 5.454 4.474 5.921 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 36 HIS HE1 1 82 PHE QD . . 6.000 5.393 4.767 6.024 0.024 26 0 "[ . 1 . 2 . 3 ]" 1
79 1 96 TRP HA 1 96 TRP HZ3 . . 6.000 4.881 4.752 5.028 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 96 TRP HA 1 112 ALA H . . 6.000 5.773 5.479 6.012 0.012 31 0 "[ . 1 . 2 . 3 ]" 1
81 1 116 TYR QD 1 119 VAL H . . 6.000 5.079 4.917 5.499 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 108 ASP HA 1 112 ALA H . . 6.000 4.188 3.907 4.378 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 114 ASP HA 1 117 TYR QD . . 6.000 3.552 3.137 3.916 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 35 TRP HZ3 1 74 PRO HA . . 6.000 5.020 4.406 5.449 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 98 ARG HA 1 102 LYS H . . 6.000 3.921 3.392 4.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 117 TYR QD 1 120 PHE HA . . 6.000 5.944 5.585 6.152 0.152 14 0 "[ . 1 . 2 . 3 ]" 1
87 1 96 TRP HZ3 1 107 LYS QE . . 6.000 4.976 3.848 5.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 56 VAL HB 1 60 PHE QD . . 6.000 3.990 3.082 4.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 96 TRP HZ3 1 99 LYS QD . . 6.000 3.470 2.426 3.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 76 THR MG 1 78 LYS H . . 6.000 3.041 1.860 4.325 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 44 GLU H 1 120 PHE QD . . 6.000 5.468 4.882 5.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 70 MET H 1 72 ARG H . . 6.000 4.617 4.581 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 48 ARG HA 1 51 PHE QD . . 6.000 3.940 3.203 4.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 95 GLU HA 1 96 TRP HD1 . . 6.000 6.052 5.920 6.234 0.234 25 0 "[ . 1 . 2 . 3 ]" 1
95 1 46 ALA HA 1 113 TRP HZ2 . . 6.000 4.647 3.989 5.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 38 MET ME 1 66 LEU H . . 6.000 4.965 4.648 5.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 100 TYR HA 1 100 TYR QE . . 6.000 5.059 4.839 5.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 114 ASP HA 1 117 TYR QE . . 6.000 5.817 5.491 6.062 0.062 27 0 "[ . 1 . 2 . 3 ]" 1
99 1 38 MET ME 1 120 PHE QE . . 6.000 4.419 4.106 4.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 37 GLU H 1 38 MET HA . . 6.000 5.092 5.025 5.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 35 TRP HZ2 1 70 MET ME . . 6.000 3.948 3.608 4.603 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 106 VAL HB 1 107 LYS QB . . 6.000 5.005 4.223 5.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 72 ARG HG2 1 73 GLY H . . 6.000 2.762 2.156 3.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 64 GLU HB2 1 68 ALA MB . . 6.000 5.503 5.392 5.624 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 38 MET ME 1 68 ALA MB . . 6.000 6.057 5.780 6.148 0.148 1 0 "[ . 1 . 2 . 3 ]" 1
106 1 60 PHE QD 1 61 GLU QB . . 6.000 5.856 5.484 6.079 0.079 13 0 "[ . 1 . 2 . 3 ]" 1
107 1 47 SER HA 1 50 TYR QD . . 6.000 3.395 2.629 4.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 31 VAL QG 1 36 HIS HE1 . . 6.000 4.267 1.968 5.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 39 TRP HZ2 1 123 ILE MD . . 6.000 5.124 4.720 5.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 121 ARG HA 1 124 SER H . . 6.000 3.633 3.504 3.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 97 CYS HA 1 99 LYS H . . 6.000 4.330 4.142 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 119 VAL H 1 120 PHE QB . . 6.000 4.219 4.005 4.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 44 GLU H 1 45 GLU QB . . 6.000 4.623 4.527 4.716 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 95 GLU QG 1 96 TRP HE3 . . 6.000 4.539 4.294 5.064 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 100 TYR H 1 101 MET HA . . 6.000 5.093 4.980 5.175 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 121 ARG QG 1 123 ILE H . . 6.000 5.303 4.476 6.139 0.139 32 0 "[ . 1 . 2 . 3 ]" 1
117 1 38 MET ME 1 120 PHE HZ . . 6.000 4.090 3.659 4.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 72 ARG QD 1 73 GLY H . . 6.000 4.530 4.031 4.903 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 47 SER HA 1 52 GLY H . . 6.000 5.662 5.298 5.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 40 HIS H 1 120 PHE QE . . 6.000 4.630 4.429 4.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 62 VAL QG 1 63 LEU QD . . 3.360 1.791 1.535 2.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 63 LEU HA 1 66 LEU HG . . 6.000 4.216 3.498 4.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
123 1 119 VAL HA 1 122 ARG QG . . 6.000 3.743 2.981 4.726 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 38 MET ME 1 39 TRP HA . . 6.000 3.678 3.344 4.027 . 0 0 "[ . 1 . 2 . 3 ]" 1
125 1 116 TYR HA 1 119 VAL HA . . 6.000 5.491 5.138 5.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 43 LEU HG 1 46 ALA MB . . 6.000 4.266 3.664 5.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 90 LEU HG 1 119 VAL HB . . 6.000 4.888 4.053 5.824 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 35 TRP HE3 1 36 HIS HA . . 6.000 6.118 5.977 6.410 0.410 19 0 "[ . 1 . 2 . 3 ]" 1
129 1 36 HIS HE1 1 123 ILE MD . . 7.000 6.941 6.297 7.068 0.068 21 0 "[ . 1 . 2 . 3 ]" 1
130 1 45 GLU QG 1 46 ALA HA . . 6.000 4.332 3.392 5.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 30 ARG QD 1 123 ILE HB . . 6.000 5.757 4.312 6.128 0.128 32 0 "[ . 1 . 2 . 3 ]" 1
132 1 59 MET QB 1 109 LEU QD . . 7.520 4.248 3.940 4.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 45 GLU QB 1 46 ALA MB . . 6.000 3.796 3.714 3.930 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 122 ARG QG 1 124 SER H . . 6.000 5.431 4.853 5.822 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 43 LEU QD 1 120 PHE HA . . 4.320 3.973 3.909 4.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 59 MET QG 1 113 TRP HE1 . . 6.000 2.985 1.927 4.250 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 76 THR H 1 79 GLU HA . . 6.000 4.678 4.127 4.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 31 VAL QG 1 32 PRO HB3 . . 9.120 4.704 4.523 4.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 47 SER HA 1 50 TYR QE . . 6.000 5.507 4.861 6.050 0.050 14 0 "[ . 1 . 2 . 3 ]" 1
140 1 27 GLU QB 1 30 ARG QD . . 6.880 6.214 3.602 6.916 0.036 29 0 "[ . 1 . 2 . 3 ]" 1
141 1 28 LEU QD 1 29 ILE H . . 7.570 3.058 1.784 4.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 28 LEU QD 1 29 ILE HA . . 7.570 4.482 3.040 5.779 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 28 LEU QD 1 30 ARG HA . . 7.570 6.371 4.633 7.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 29 ILE QG 1 30 ARG H . . 6.880 3.774 1.871 4.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 30 ARG HA 1 31 VAL QG . . 3.730 3.538 3.075 3.929 0.199 23 0 "[ . 1 . 2 . 3 ]" 1
146 1 31 VAL H 1 34 LEU QB . . 6.880 4.573 3.317 7.287 0.407 32 0 "[ . 1 . 2 . 3 ]" 1
147 1 31 VAL QG 1 32 PRO QB . . 7.510 4.043 3.871 4.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 31 VAL QG 1 32 PRO QD . . 8.440 1.969 1.748 2.406 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 31 VAL QG 1 33 ILE H . . 7.560 2.150 1.722 3.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
150 1 31 VAL QG 1 34 LEU H . . 7.560 3.556 2.112 4.289 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 31 VAL QG 1 34 LEU QB . . 8.440 1.954 1.584 3.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 32 PRO QB 1 33 ILE MG . . 6.880 3.328 2.631 5.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 33 ILE H 1 33 ILE QG . . 4.260 2.035 1.913 2.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 34 LEU QB 1 35 TRP HA . . 6.880 4.517 4.294 4.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 34 LEU QB 1 36 HIS HA . . 6.880 5.196 4.847 6.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 34 LEU QB 1 37 GLU H . . 6.880 3.258 2.563 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 35 TRP QB 1 36 HIS HD2 . . 6.880 3.876 2.666 4.787 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 35 TRP QB 1 39 TRP HD1 . . 6.880 2.931 2.702 3.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 35 TRP QB 1 39 TRP HE1 . . 6.880 2.554 2.270 2.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 35 TRP QB 1 82 PHE QD . . 6.880 4.386 3.938 4.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 35 TRP HZ2 1 70 MET QG . . 6.880 4.620 3.597 5.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 35 TRP HZ2 1 74 PRO QB . . 6.880 4.328 3.832 4.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 35 TRP HH2 1 70 MET QG . . 6.880 4.877 4.218 5.280 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 36 HIS QB 1 82 PHE QD . . 6.880 6.428 6.031 6.999 0.119 31 0 "[ . 1 . 2 . 3 ]" 1
165 1 37 GLU QG 1 38 MET HA . . 6.880 4.111 3.373 4.947 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 38 MET ME 1 90 LEU QD . . 4.000 3.936 3.688 4.053 0.053 31 0 "[ . 1 . 2 . 3 ]" 1
167 1 39 TRP HD1 1 66 LEU QB . . 6.880 6.109 5.157 6.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 40 HIS HA 1 44 GLU QG . . 6.880 4.329 3.539 6.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 40 HIS HA 1 66 LEU QD . . 7.570 6.409 6.012 6.886 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 41 GLU HA 1 44 GLU QG . . 6.880 3.026 2.649 3.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 41 GLU HA 1 66 LEU QD . . 7.570 5.612 5.230 6.051 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 41 GLU QG 1 42 GLY H . . 6.880 2.678 1.898 4.254 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 42 GLY QA 1 44 GLU H . . 6.880 3.811 3.746 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 42 GLY QA 1 62 VAL QG . . 7.510 2.404 2.028 2.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 42 GLY HA2 1 62 VAL QG . . 3.950 2.508 2.101 2.769 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 42 GLY HA3 1 62 VAL QG . . 3.620 3.092 2.671 3.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 43 LEU HA 1 63 LEU QD . . 3.790 3.242 2.933 3.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 43 LEU QB 1 46 ALA MB . . 6.880 3.960 3.703 4.132 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 43 LEU QB 1 47 SER H . . 6.880 4.180 3.739 4.707 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 43 LEU QB 1 63 LEU QD . . 8.450 4.285 4.018 4.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 43 LEU QB 1 113 TRP HZ2 . . 6.880 5.143 4.017 6.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 43 LEU QD 1 46 ALA MB . . 3.720 2.565 2.254 2.817 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 43 LEU QD 1 62 VAL QG . . 9.130 3.761 3.186 4.021 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 43 LEU QD 1 116 TYR QB . . 8.450 2.593 2.138 3.046 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 43 LEU QD 1 116 TYR QD . . 7.570 3.790 2.207 4.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 43 LEU QD 1 119 VAL QG . . 4.570 3.984 3.638 4.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 43 LEU QD 1 120 PHE H . . 4.140 3.805 3.451 4.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 43 LEU QD 1 120 PHE HZ . . 3.670 2.736 2.385 3.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 45 GLU QB 1 63 LEU QD . . 7.570 4.955 4.685 5.311 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 46 ALA MB 1 49 LEU QD . . 3.670 3.176 2.958 3.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 46 ALA MB 1 63 LEU QD . . 3.070 2.176 1.866 2.477 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 47 SER H 1 49 LEU QD . . 7.570 4.451 4.204 4.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 47 SER H 1 59 MET QB . . 6.880 4.633 4.187 5.033 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 47 SER HA 1 51 PHE QB . . 6.880 4.580 4.157 5.128 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 47 SER QB 1 51 PHE QD . . 6.880 2.862 1.950 3.793 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 47 SER QB 1 113 TRP HZ2 . . 6.880 3.678 2.693 4.740 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 49 LEU H 1 49 LEU QD . . 3.740 2.882 2.594 3.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 49 LEU HG 1 58 GLY QA . . 6.880 3.857 3.465 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 49 LEU QD 1 50 TYR H . . 7.570 3.135 1.972 4.163 . 0 0 "[ . 1 . 2 . 3 ]" 1
200 1 49 LEU QD 1 50 TYR HA . . 7.570 3.724 2.196 5.234 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 49 LEU QD 1 54 ARG QD . . 7.570 6.092 2.951 7.572 0.002 23 0 "[ . 1 . 2 . 3 ]" 1
202 1 49 LEU QD 1 58 GLY QA . . 8.450 1.744 1.625 2.032 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 49 LEU QD 1 59 MET QB . . 8.450 3.047 2.305 3.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 50 TYR QE 1 106 VAL QG . . 7.560 4.044 2.986 5.023 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 53 GLU QB 1 55 ASN H . . 6.880 3.251 2.025 5.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 55 ASN H 1 56 VAL QG . . 7.560 4.349 3.867 4.741 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 55 ASN QB 1 58 GLY H . . 6.880 2.708 2.221 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 55 ASN QB 1 59 MET H . . 6.880 4.858 4.277 5.336 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 56 VAL HB 1 109 LEU QD . . 3.720 2.926 1.966 3.654 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 56 VAL QG 1 59 MET H . . 7.560 4.096 3.605 4.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 56 VAL QG 1 100 TYR QD . . 7.560 3.852 3.144 4.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 57 LYS QG 1 58 GLY QA . . 7.750 3.399 3.093 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 57 LYS QD 1 58 GLY QA . . 6.880 3.776 2.455 5.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 59 MET QB 1 60 PHE QD . . 6.880 4.192 3.141 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 59 MET QB 1 63 LEU QD . . 4.170 3.360 2.790 3.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 59 MET QB 1 113 TRP HZ2 . . 4.200 3.015 2.606 3.948 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 59 MET ME 1 63 LEU QD . . 7.570 3.380 3.055 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 60 PHE QD 1 97 CYS QB . . 6.880 3.614 3.073 4.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 60 PHE QE 1 101 MET QG . . 6.880 2.967 2.118 3.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 60 PHE HZ 1 109 LEU QD . . 3.440 2.620 1.823 3.410 . 0 0 "[ . 1 . 2 . 3 ]" 1
221 1 61 GLU H 1 63 LEU QB . . 6.880 5.729 5.488 6.083 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 61 GLU HA 1 64 GLU QB . . 6.880 2.161 2.063 2.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 62 VAL H 1 63 LEU QB . . 6.880 4.525 4.319 4.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 62 VAL H 1 64 GLU QB . . 6.880 4.189 4.113 4.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 62 VAL H 1 65 PRO QD . . 6.880 3.660 3.612 3.715 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 62 VAL QG 1 63 LEU H . . 3.910 2.966 2.083 3.117 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 62 VAL QG 1 66 LEU QD . . 5.000 1.852 1.671 2.124 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 63 LEU H 1 64 GLU QB . . 6.880 4.038 4.019 4.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 63 LEU H 1 64 GLU QG . . 6.880 5.166 4.885 5.729 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 63 LEU QD 1 66 LEU QB . . 8.450 3.052 2.748 3.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 63 LEU QD 1 113 TRP H . . 7.570 6.430 6.065 7.002 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 63 LEU QD 1 120 PHE QE . . 4.000 3.340 2.651 3.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 64 GLU QB 1 66 LEU H . . 6.880 4.672 4.561 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 64 GLU QB 1 68 ALA H . . 6.880 4.954 4.903 5.031 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 64 GLU QG 1 68 ALA H . . 6.880 5.518 5.257 5.854 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 65 PRO QD 1 66 LEU QD . . 8.450 3.731 3.263 4.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 66 LEU QD 1 70 MET QG . . 8.450 4.358 3.980 4.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 67 HIS HD2 1 70 MET QG . . 6.880 3.450 3.069 3.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 67 HIS HD2 1 90 LEU QD . . 7.570 2.907 1.993 3.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 69 MET H 1 69 MET QG . . 3.960 3.395 3.232 3.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 69 MET HA 1 71 GLU QG . . 6.880 5.333 5.233 5.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 69 MET QG 1 70 MET H . . 6.880 2.321 2.121 2.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 70 MET QG 1 71 GLU QB . . 6.880 5.904 5.644 6.078 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 71 GLU QG 1 73 GLY H . . 6.880 4.921 4.682 5.182 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 72 ARG QG 1 73 GLY QA . . 7.750 3.049 2.957 3.126 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 80 THR HA 1 83 ASN QB . . 6.880 2.916 2.365 3.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
247 1 82 PHE H 1 84 GLN QG . . 6.880 5.587 4.449 6.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 82 PHE QB 1 83 ASN QB . . 7.750 3.737 3.538 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 86 TYR QB 1 87 GLY QA . . 7.750 3.720 3.614 3.785 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 86 TYR QB 1 90 LEU H . . 4.140 3.178 2.887 3.823 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 86 TYR QB 1 119 VAL QG . . 3.820 2.451 2.110 3.385 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 87 GLY H 1 91 MET QB . . 6.880 6.191 5.970 6.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 88 ARG HA 1 91 MET QB . . 3.270 2.361 1.996 3.358 0.088 23 0 "[ . 1 . 2 . 3 ]" 1
254 1 88 ARG QB 1 89 ASP QB . . 7.750 4.478 4.230 5.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 88 ARG QB 1 91 MET H . . 6.880 4.840 4.626 5.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 88 ARG QD 1 89 ASP H . . 6.880 4.091 2.159 4.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 88 ARG QD 1 115 LEU QB . . 7.750 7.147 5.268 7.772 0.022 14 0 "[ . 1 . 2 . 3 ]" 1
258 1 89 ASP QB 1 92 GLU H . . 6.880 4.744 4.658 4.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 89 ASP QB 1 93 ALA H . . 6.880 4.451 4.146 4.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 89 ASP QB 1 115 LEU QD . . 8.450 3.492 3.039 4.429 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 90 LEU QB 1 91 MET H . . 6.880 2.738 2.578 2.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 90 LEU HG 1 119 VAL QG . . 3.560 3.109 2.652 3.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 90 LEU QD 1 119 VAL HB . . 3.850 3.388 2.664 3.726 . 0 0 "[ . 1 . 2 . 3 ]" 1
264 1 91 MET QG 1 92 GLU H . . 6.880 4.071 1.927 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 92 GLU HA 1 95 GLU QB . . 6.880 2.556 2.245 2.865 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 92 GLU QB 1 93 ALA MB . . 6.880 3.736 3.578 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 92 GLU QB 1 115 LEU QD . . 8.450 2.086 1.779 3.128 . 0 0 "[ . 1 . 2 . 3 ]" 1
268 1 94 GLN H 1 96 TRP QB . . 6.880 5.107 4.803 5.226 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 94 GLN QG 1 97 CYS H . . 4.520 4.331 4.122 4.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
270 1 95 GLU H 1 98 ARG QD . . 6.880 4.061 3.345 4.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 95 GLU QB 1 97 CYS H . . 6.880 4.807 4.668 4.935 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 96 TRP QB 1 97 CYS H . . 6.880 2.910 2.763 3.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 96 TRP QB 1 112 ALA H . . 6.880 3.055 2.815 3.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
274 1 96 TRP QB 1 112 ALA HA . . 6.880 2.931 2.555 3.232 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 96 TRP QB 1 112 ALA MB . . 6.880 1.944 1.683 2.290 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 96 TRP HE3 1 99 LYS QG . . 6.880 4.450 3.972 4.799 . 0 0 "[ . 1 . 2 . 3 ]" 1
277 1 96 TRP HE3 1 99 LYS QD . . 3.980 2.526 2.003 2.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
278 1 96 TRP HE3 1 108 ASP QB . . 6.880 2.247 1.958 2.899 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 97 CYS H 1 98 ARG QB . . 6.880 4.594 4.267 4.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
280 1 97 CYS H 1 98 ARG QD . . 4.240 4.176 3.894 4.478 0.238 12 0 "[ . 1 . 2 . 3 ]" 1
281 1 97 CYS HA 1 98 ARG QB . . 6.880 5.427 5.328 5.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 99 LYS H 1 99 LYS QD . . 4.080 3.870 3.422 4.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
283 1 99 LYS H 1 99 LYS QE . . 6.880 5.197 4.056 5.680 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 99 LYS QD 1 100 TYR QB . . 7.750 4.217 3.201 5.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 100 TYR QB 1 109 LEU QB . . 7.750 3.156 2.642 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 100 TYR QB 1 109 LEU QD . . 8.450 3.688 3.185 4.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 100 TYR QE 1 106 VAL QG . . 7.560 3.420 2.424 4.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 100 TYR QE 1 109 LEU QB . . 6.880 2.949 2.372 3.578 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 105 ASN QB 1 106 VAL HA . . 6.880 4.611 4.206 4.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 106 VAL HA 1 109 LEU QB . . 6.880 2.046 1.928 2.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
291 1 106 VAL HA 1 109 LEU QD . . 6.000 3.054 2.704 3.330 . 0 0 "[ . 1 . 2 . 3 ]" 1
292 1 106 VAL QG 1 108 ASP H . . 7.560 4.359 3.989 4.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 106 VAL QG 1 109 LEU QD . . 9.130 2.779 2.429 3.168 . 0 0 "[ . 1 . 2 . 3 ]" 1
294 1 106 VAL QG 1 110 THR H . . 7.560 3.365 3.003 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 108 ASP H 1 109 LEU QB . . 6.880 4.230 4.131 4.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
296 1 109 LEU H 1 109 LEU QD . . 4.060 3.681 3.630 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
297 1 109 LEU QB 1 110 THR HA . . 6.880 4.247 3.835 4.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 109 LEU QD 1 110 THR HA . . 7.570 3.607 2.938 4.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
299 1 109 LEU QD 1 113 TRP HD1 . . 3.690 1.985 1.793 2.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
300 1 112 ALA HA 1 115 LEU QD . . 3.780 2.190 1.878 2.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 114 ASP H 1 115 LEU QD . . 7.570 3.978 3.508 4.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
302 1 115 LEU H 1 115 LEU QD . . 3.820 2.334 1.884 2.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
303 1 116 TYR HA 1 119 VAL QG . . 3.560 2.340 1.958 3.036 . 0 0 "[ . 1 . 2 . 3 ]" 1
304 1 119 VAL QG 1 120 PHE HA . . 4.250 2.885 2.758 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 119 VAL QG 1 123 ILE MD . . 3.220 3.255 3.060 3.353 0.133 22 0 "[ . 1 . 2 . 3 ]" 1
306 1 122 ARG H 1 123 ILE QG . . 6.880 3.420 3.266 3.624 . 0 0 "[ . 1 . 2 . 3 ]" 1
307 1 122 ARG QB 1 123 ILE MG . . 6.880 3.464 3.288 3.641 . 0 0 "[ . 1 . 2 . 3 ]" 1
308 1 125 LYS QB 1 126 GLN H . . 6.880 3.361 1.911 3.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
309 1 53 GLU HG2 1 54 ARG H . . 4.390 3.876 1.977 5.291 0.901 8 6 "[ . + 1** -. * *. 3 ]" 1
310 1 54 ARG H 1 55 ASN HB2 . . 5.220 4.511 3.560 5.229 0.009 17 0 "[ . 1 . 2 . 3 ]" 1
311 1 66 LEU H 1 67 HIS H . . 3.730 2.971 2.948 2.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
312 1 64 GLU HA 1 67 HIS H . . 4.790 4.251 4.170 4.311 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 67 HIS H 1 67 HIS QB . . 3.660 2.279 2.075 2.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
314 1 65 PRO HD2 1 67 HIS H . . 5.080 4.102 4.055 4.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
315 1 66 LEU HB2 1 67 HIS H . . 4.250 2.621 2.490 2.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 89 ASP HB2 1 90 LEU H . . 4.640 2.238 2.109 2.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 89 ASP HB3 1 90 LEU H . . 4.900 3.222 2.917 3.544 . 0 0 "[ . 1 . 2 . 3 ]" 1
318 1 90 LEU H 1 90 LEU HB3 . . 4.110 3.516 3.473 3.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 86 TYR H 1 87 GLY HA3 . . 4.910 4.404 4.121 4.546 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 36 HIS H 1 36 HIS HB3 . . 4.110 3.488 3.454 3.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 34 LEU HG 1 36 HIS H . . 4.890 4.285 1.950 4.963 0.073 32 0 "[ . 1 . 2 . 3 ]" 1
322 1 36 HIS H 1 123 ILE MD . . 5.270 4.907 4.664 5.108 . 0 0 "[ . 1 . 2 . 3 ]" 1
323 1 102 LYS QB 1 103 SER H . . 3.920 2.515 2.320 3.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 120 PHE QB 1 121 ARG H . . 3.870 2.783 2.707 2.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
325 1 121 ARG H 1 121 ARG QD . . 4.900 4.339 3.848 4.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 121 ARG H 1 121 ARG HB3 . . 3.690 2.439 2.244 3.421 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 121 ARG H 1 121 ARG HB2 . . 3.660 2.817 2.081 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
328 1 121 ARG H 1 121 ARG QG . . 4.310 3.541 2.187 3.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
329 1 126 GLN H 1 126 GLN HB3 . . 3.870 3.325 2.359 4.090 0.220 18 0 "[ . 1 . 2 . 3 ]" 1
330 1 125 LYS H 1 126 GLN H . . 4.830 4.391 2.889 4.674 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 125 LYS H 1 125 LYS HB3 . . 4.010 3.139 2.168 3.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
332 1 125 LYS H 1 125 LYS QG . . 4.550 3.509 2.925 3.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
333 1 123 ILE MG 1 124 SER H . . 5.290 4.200 4.125 4.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
334 1 123 ILE H 1 123 ILE MD . . 4.430 3.500 3.329 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
335 1 123 ILE H 1 123 ILE HG12 . . 4.090 1.885 1.796 2.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 123 ILE H 1 123 ILE HG13 . . 4.150 2.951 1.913 3.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 120 PHE HA 1 123 ILE H . . 4.720 3.612 3.397 3.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 122 ARG H 1 122 ARG HB3 . . 3.820 3.211 2.485 3.533 . 0 0 "[ . 1 . 2 . 3 ]" 1
339 1 122 ARG H 1 122 ARG QG . . 3.960 3.232 2.306 4.022 0.062 17 0 "[ . 1 . 2 . 3 ]" 1
340 1 120 PHE H 1 120 PHE QB . . 3.600 2.024 1.954 2.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
341 1 118 HIS H 1 119 VAL QG . . 5.070 3.800 3.488 4.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 116 TYR QD 1 117 TYR H . . 4.460 4.245 4.144 4.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
343 1 113 TRP HA 1 117 TYR H . . 4.850 3.788 3.533 4.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
344 1 117 TYR H 1 117 TYR HB3 . . 3.870 2.749 2.469 2.875 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 117 TYR H 1 120 PHE QB . . 5.500 4.185 3.844 4.784 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 117 TYR H 1 117 TYR HB2 . . 4.020 2.001 1.915 2.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 116 TYR HB3 1 117 TYR H . . 4.470 3.131 2.855 3.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
348 1 116 TYR HB2 1 117 TYR H . . 4.410 2.277 2.155 2.474 . 0 0 "[ . 1 . 2 . 3 ]" 1
349 1 115 LEU HB3 1 116 TYR H . . 4.570 3.387 3.137 3.726 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 115 LEU HB2 1 116 TYR H . . 4.680 2.599 2.442 2.711 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 115 LEU QD 1 116 TYR H . . 5.040 3.883 3.709 4.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
352 1 93 ALA MB 1 116 TYR H . . 4.500 2.919 2.695 3.201 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 112 ALA HA 1 115 LEU H . . 4.780 3.285 3.109 3.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 113 TRP HB2 1 114 ASP H . . 5.010 3.328 3.140 3.470 . 0 0 "[ . 1 . 2 . 3 ]" 1
355 1 110 THR MG 1 113 TRP H . . 5.240 4.648 4.335 4.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
356 1 111 GLN HB3 1 113 TRP H . . 5.190 5.172 5.025 5.242 0.052 23 0 "[ . 1 . 2 . 3 ]" 1
357 1 82 PHE HA 1 85 ALA H . . 4.160 3.370 3.056 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 84 GLN QB 1 85 ALA H . . 4.110 2.621 2.438 3.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
359 1 111 GLN H 1 111 GLN HB2 . . 3.840 2.009 2.001 2.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 107 LYS HA 1 110 THR H . . 3.910 3.504 3.412 3.651 . 0 0 "[ . 1 . 2 . 3 ]" 1
361 1 109 LEU HB2 1 110 THR H . . 4.010 3.895 3.295 4.144 0.134 13 0 "[ . 1 . 2 . 3 ]" 1
362 1 109 LEU HB3 1 110 THR H . . 4.110 2.723 2.545 2.879 . 0 0 "[ . 1 . 2 . 3 ]" 1
363 1 110 THR H 1 111 GLN HB2 . . 4.500 4.501 4.411 4.551 0.051 14 0 "[ . 1 . 2 . 3 ]" 1
364 1 100 TYR QD 1 109 LEU H . . 5.180 3.076 2.565 3.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
365 1 108 ASP HB3 1 109 LEU H . . 4.630 3.601 2.625 4.010 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 89 ASP H 1 89 ASP HB2 . . 4.080 2.382 2.157 2.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
367 1 107 LYS QB 1 108 ASP H . . 3.640 2.663 2.442 3.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
368 1 89 ASP H 1 90 LEU HB2 . . 4.890 4.756 4.446 4.908 0.018 29 0 "[ . 1 . 2 . 3 ]" 1
369 1 105 ASN HB3 1 106 VAL H . . 5.500 3.533 2.148 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
370 1 105 ASN H 1 106 VAL H . . 5.290 4.055 2.844 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 100 TYR QD 1 105 ASN H . . 5.130 2.298 1.936 3.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 105 ASN H 1 106 VAL HA . . 5.000 4.557 3.872 5.007 0.007 18 0 "[ . 1 . 2 . 3 ]" 1
373 1 102 LYS H 1 104 GLY H . . 5.150 4.263 3.909 5.010 . 0 0 "[ . 1 . 2 . 3 ]" 1
374 1 99 LYS HA 1 102 LYS H . . 4.410 3.655 3.461 3.863 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 102 LYS H 1 102 LYS QB . . 3.470 2.157 2.039 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
376 1 102 LYS H 1 102 LYS HG3 . . 4.460 4.443 4.299 4.576 0.116 23 0 "[ . 1 . 2 . 3 ]" 1
377 1 97 CYS H 1 98 ARG H . . 3.890 2.710 2.622 2.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 95 GLU HA 1 97 CYS H . . 4.100 4.048 3.875 4.206 0.106 25 0 "[ . 1 . 2 . 3 ]" 1
379 1 101 MET H 1 101 MET HG3 . . 3.530 2.614 2.376 3.543 0.013 31 0 "[ . 1 . 2 . 3 ]" 1
380 1 101 MET H 1 101 MET HG2 . . 3.580 3.011 2.088 3.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 100 TYR H 1 100 TYR QD . . 4.840 3.833 3.592 4.059 . 0 0 "[ . 1 . 2 . 3 ]" 1
382 1 99 LYS QB 1 100 TYR H . . 3.960 2.782 2.576 2.968 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 97 CYS QB 1 98 ARG H . . 4.060 2.469 2.275 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
384 1 98 ARG H 1 98 ARG QB . . 3.270 2.278 2.076 2.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 96 TRP H 1 96 TRP HB3 . . 3.990 3.540 3.497 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 96 TRP H 1 97 CYS QB . . 4.990 4.237 4.084 4.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 95 GLU QG 1 96 TRP H . . 4.010 2.451 2.342 2.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
388 1 95 GLU HB2 1 96 TRP H . . 4.460 4.262 4.215 4.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 93 ALA HA 1 96 TRP HE1 . . 4.970 4.703 4.425 4.984 0.014 12 0 "[ . 1 . 2 . 3 ]" 1
390 1 95 GLU QG 1 96 TRP HE1 . . 4.790 3.996 3.782 4.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
391 1 96 TRP HE1 1 115 LEU HG . . 5.500 5.454 4.926 5.611 0.111 27 0 "[ . 1 . 2 . 3 ]" 1
392 1 95 GLU H 1 95 GLU QG . . 3.310 3.333 3.307 3.374 0.064 23 0 "[ . 1 . 2 . 3 ]" 1
393 1 92 GLU HB3 1 93 ALA H . . 4.060 2.428 2.228 3.794 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 93 ALA H 1 115 LEU HB3 . . 4.860 3.493 3.150 3.837 . 0 0 "[ . 1 . 2 . 3 ]" 1
395 1 90 LEU QD 1 93 ALA H . . 5.260 4.689 4.413 4.966 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 89 ASP HA 1 92 GLU H . . 5.010 3.437 3.236 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
397 1 92 GLU H 1 92 GLU HB3 . . 3.300 2.471 2.294 2.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 92 GLU H 1 115 LEU QD . . 4.770 3.762 3.307 4.411 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 92 GLU H 1 93 ALA MB . . 5.000 4.261 4.053 4.389 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 89 ASP HA 1 91 MET H . . 4.720 4.310 4.048 4.521 . 0 0 "[ . 1 . 2 . 3 ]" 1
401 1 91 MET H 1 91 MET HG2 . . 4.920 3.934 2.434 4.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
402 1 91 MET H 1 91 MET QB . . 3.630 2.026 1.937 2.226 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 90 LEU HB3 1 91 MET H . . 4.130 3.685 3.478 3.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 90 LEU HG 1 91 MET H . . 4.820 4.767 4.387 5.200 0.380 31 0 "[ . 1 . 2 . 3 ]" 1
405 1 88 ARG H 1 91 MET H . . 4.520 4.505 4.361 4.619 0.099 23 0 "[ . 1 . 2 . 3 ]" 1
406 1 88 ARG H 1 89 ASP HA . . 5.040 5.023 4.907 5.104 0.064 26 0 "[ . 1 . 2 . 3 ]" 1
407 1 88 ARG H 1 88 ARG HB2 . . 3.750 2.444 2.051 3.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
408 1 84 GLN QB 1 87 GLY H . . 5.110 4.327 4.215 4.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 86 TYR QB 1 87 GLY H . . 5.350 2.957 2.639 3.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 85 ALA MB 1 87 GLY H . . 5.160 4.200 4.024 4.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
411 1 84 GLN H 1 84 GLN QB . . 3.760 2.136 2.039 2.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 84 GLN H 1 85 ALA MB . . 5.190 4.030 3.920 4.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
413 1 80 THR HA 1 83 ASN H . . 4.240 3.502 3.169 3.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
414 1 83 ASN H 1 84 GLN QB . . 4.900 4.417 4.242 4.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 35 TRP HA 1 35 TRP HE1 . . 5.310 4.585 4.531 4.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
416 1 35 TRP HE1 1 69 MET QG . . 4.700 4.195 3.657 4.558 . 0 0 "[ . 1 . 2 . 3 ]" 1
417 1 35 TRP HE1 1 70 MET HG2 . . 5.500 5.144 4.142 5.654 0.154 27 0 "[ . 1 . 2 . 3 ]" 1
418 1 35 TRP HE1 1 70 MET ME . . 4.930 3.275 2.825 4.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 35 TRP HE1 1 69 MET ME . . 4.770 3.465 2.976 3.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
420 1 80 THR HB 1 81 SER H . . 4.360 3.074 2.785 3.902 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 54 ARG QD 1 55 ASN H . . 4.840 4.279 2.918 4.833 . 0 0 "[ . 1 . 2 . 3 ]" 1
422 1 78 LYS QB 1 80 THR H . . 4.570 4.483 4.232 4.597 0.027 21 0 "[ . 1 . 2 . 3 ]" 1
423 1 80 THR H 1 80 THR MG . . 4.630 3.482 1.881 3.675 . 0 0 "[ . 1 . 2 . 3 ]" 1
424 1 55 ASN H 1 57 LYS QG . . 5.130 4.924 4.767 5.059 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 78 LYS H 1 79 GLU H . . 4.750 2.580 2.429 2.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 76 THR H 1 77 LEU H . . 4.740 4.350 4.299 4.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 41 GLU HA 1 44 GLU H . . 4.360 3.403 3.318 3.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
428 1 44 GLU H 1 44 GLU HG3 . . 3.500 3.717 2.761 4.391 0.891 31 11 "[ *.- 1 * ** * 2 * .*** 3+ ]" 1
429 1 43 LEU HB2 1 44 GLU H . . 3.500 3.363 2.927 3.730 0.230 19 0 "[ . 1 . 2 . 3 ]" 1
430 1 77 LEU H 1 77 LEU MD1 . . 4.780 4.055 3.117 4.345 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 43 LEU QD 1 44 GLU H . . 5.170 4.217 3.998 4.324 . 0 0 "[ . 1 . 2 . 3 ]" 1
432 1 75 GLN HB3 1 76 THR H . . 4.410 2.088 1.873 2.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
433 1 76 THR H 1 78 LYS QB . . 4.970 4.824 3.975 5.039 0.069 7 0 "[ . 1 . 2 . 3 ]" 1
434 1 72 ARG HG3 1 73 GLY H . . 4.190 2.856 2.452 3.016 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 71 GLU H 1 71 GLU QG . . 3.740 2.018 1.894 2.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
436 1 71 GLU H 1 71 GLU QB . . 3.160 2.607 2.513 2.668 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 70 MET H 1 73 GLY H . . 4.210 4.303 4.237 4.414 0.204 12 0 "[ . 1 . 2 . 3 ]" 1
438 1 70 MET H 1 70 MET HG2 . . 3.580 2.379 2.106 2.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
439 1 69 MET H 1 71 GLU QG . . 4.650 4.567 4.517 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
440 1 39 TRP HE1 1 70 MET HG3 . . 4.800 4.241 3.209 4.855 0.055 19 0 "[ . 1 . 2 . 3 ]" 1
441 1 39 TRP HE1 1 70 MET ME . . 5.030 2.102 1.775 2.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 65 PRO HA 1 68 ALA H . . 4.330 3.417 3.283 3.484 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 66 LEU QD 1 67 HIS H . . 5.140 3.943 3.796 4.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 63 LEU HA 1 66 LEU H . . 5.030 3.229 3.136 3.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 64 GLU H 1 64 GLU HG2 . . 4.500 3.586 3.008 4.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 64 GLU H 1 64 GLU HB2 . . 3.590 2.111 2.079 2.143 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 64 GLU H 1 64 GLU HB3 . . 3.810 3.427 3.384 3.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
448 1 63 LEU HG 1 64 GLU H . . 5.100 4.531 3.410 5.267 0.167 12 0 "[ . 1 . 2 . 3 ]" 1
449 1 63 LEU QD 1 64 GLU H . . 5.120 3.657 3.484 3.830 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 63 LEU H 1 64 GLU HB2 . . 5.500 4.139 4.120 4.154 . 0 0 "[ . 1 . 2 . 3 ]" 1
451 1 62 VAL HB 1 63 LEU H . . 4.340 2.761 2.648 3.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 58 GLY HA3 1 61 GLU H . . 4.580 4.602 4.437 4.976 0.396 32 0 "[ . 1 . 2 . 3 ]" 1
453 1 61 GLU H 1 61 GLU QB . . 3.500 2.427 2.301 2.542 . 0 0 "[ . 1 . 2 . 3 ]" 1
454 1 57 LYS HA 1 60 PHE H . . 4.470 3.483 3.320 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
455 1 58 GLY HA3 1 60 PHE H . . 5.120 4.793 4.578 5.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 60 PHE H 1 60 PHE QB . . 3.540 2.114 1.995 2.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
457 1 59 MET QG 1 60 PHE H . . 4.210 3.341 1.931 4.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
458 1 38 MET ME 1 39 TRP H . . 4.240 4.116 3.932 4.321 0.081 12 0 "[ . 1 . 2 . 3 ]" 1
459 1 60 PHE H 1 61 GLU QG . . 4.160 4.144 4.010 4.339 0.179 27 0 "[ . 1 . 2 . 3 ]" 1
460 1 60 PHE H 1 101 MET ME . . 4.340 4.387 4.318 4.466 0.126 27 0 "[ . 1 . 2 . 3 ]" 1
461 1 59 MET ME 1 60 PHE H . . 5.290 2.658 2.434 3.101 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 39 TRP H 1 123 ILE MD . . 4.880 3.809 3.606 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 57 LYS QB 1 58 GLY H . . 4.000 3.463 3.142 3.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 56 VAL H 1 57 LYS H . . 3.400 2.563 2.300 2.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
465 1 55 ASN HA 1 57 LYS H . . 4.820 3.326 3.033 4.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
466 1 57 LYS H 1 57 LYS QB . . 3.260 2.524 2.231 2.732 . 0 0 "[ . 1 . 2 . 3 ]" 1
467 1 57 LYS H 1 57 LYS QD . . 4.450 3.076 1.875 4.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
468 1 55 ASN HA 1 56 VAL H . . 3.510 2.367 2.253 2.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
469 1 55 ASN HB3 1 56 VAL H . . 4.860 3.963 2.494 4.356 . 0 0 "[ . 1 . 2 . 3 ]" 1
470 1 55 ASN HB2 1 56 VAL H . . 5.500 4.570 3.911 4.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 56 VAL H 1 56 VAL HB . . 3.680 2.688 2.099 3.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
472 1 53 GLU HA 1 55 ASN H . . 4.370 4.333 3.944 4.454 0.084 31 0 "[ . 1 . 2 . 3 ]" 1
473 1 54 ARG HA 1 55 ASN H . . 3.550 3.031 2.624 3.646 0.096 27 0 "[ . 1 . 2 . 3 ]" 1
474 1 55 ASN H 1 55 ASN HB2 . . 4.090 2.452 2.059 3.306 . 0 0 "[ . 1 . 2 . 3 ]" 1
475 1 53 GLU HG3 1 55 ASN H . . 4.590 3.890 1.921 5.272 0.681 6 2 "[ .+ 1 . 2 .- 3 ]" 1
476 1 54 ARG HB3 1 55 ASN H . . 4.600 4.088 2.219 4.744 0.144 5 0 "[ . 1 . 2 . 3 ]" 1
477 1 49 LEU QD 1 55 ASN H . . 5.050 3.732 2.168 4.890 . 0 0 "[ . 1 . 2 . 3 ]" 1
478 1 52 GLY H 1 53 GLU H . . 4.120 2.850 2.518 3.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
479 1 50 TYR HA 1 52 GLY H . . 4.860 4.794 4.349 4.964 0.104 27 0 "[ . 1 . 2 . 3 ]" 1
480 1 51 PHE HB2 1 52 GLY H . . 4.810 2.539 2.373 2.866 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 50 TYR QD 1 51 PHE H . . 5.110 3.088 2.391 3.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
482 1 51 PHE H 1 51 PHE HB2 . . 4.050 2.134 2.079 2.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 50 TYR HB2 1 51 PHE H . . 4.450 3.705 3.495 3.893 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 49 LEU H 1 50 TYR H . . 3.550 2.538 2.481 2.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 50 TYR H 1 51 PHE QD . . 5.290 4.329 3.789 4.822 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 50 TYR H 1 50 TYR HB3 . . 4.140 2.267 2.140 2.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 50 TYR H 1 50 TYR HB2 . . 4.080 2.418 2.210 2.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 45 GLU HA 1 49 LEU H . . 5.480 3.973 3.459 4.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
489 1 45 GLU QG 1 49 LEU H . . 5.140 4.319 3.752 5.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 48 ARG QB 1 49 LEU H . . 4.140 2.626 2.407 2.848 . 0 0 "[ . 1 . 2 . 3 ]" 1
491 1 49 LEU H 1 49 LEU HG . . 3.700 2.319 1.889 2.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
492 1 48 ARG H 1 49 LEU H . . 3.730 2.813 2.638 2.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
493 1 45 GLU HA 1 48 ARG H . . 4.950 3.281 3.175 3.388 . 0 0 "[ . 1 . 2 . 3 ]" 1
494 1 48 ARG H 1 48 ARG QB . . 3.740 2.100 1.989 2.216 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 47 SER H 1 47 SER HB3 . . 3.600 2.520 2.178 3.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
496 1 44 GLU HA 1 47 SER H . . 4.300 3.913 3.567 4.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
497 1 47 SER H 1 48 ARG QB . . 5.300 4.308 4.113 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 43 LEU HA 1 46 ALA H . . 4.530 3.328 3.202 3.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
499 1 46 ALA H 1 59 MET HA . . 4.850 4.164 3.969 4.355 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 44 GLU H 1 45 GLU H . . 3.830 2.881 2.817 2.919 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 43 LEU H 1 43 LEU HB2 . . 3.560 2.181 1.973 2.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 43 LEU H 1 66 LEU QD . . 5.230 3.964 3.502 4.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
503 1 41 GLU QB 1 42 GLY H . . 3.920 3.205 2.527 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 42 GLY H 1 62 VAL QG . . 4.920 4.577 4.166 4.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
505 1 40 HIS H 1 41 GLU H . . 3.920 2.827 2.618 2.975 . 0 0 "[ . 1 . 2 . 3 ]" 1
506 1 41 GLU H 1 42 GLY H . . 3.920 2.634 2.533 2.760 . 0 0 "[ . 1 . 2 . 3 ]" 1
507 1 41 GLU H 1 41 GLU HG3 . . 4.480 3.040 2.153 4.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
508 1 40 HIS H 1 40 HIS QB . . 3.530 2.029 1.969 2.374 . 0 0 "[ . 1 . 2 . 3 ]" 1
509 1 39 TRP HB2 1 40 HIS H . . 5.290 2.570 2.474 2.810 . 0 0 "[ . 1 . 2 . 3 ]" 1
510 1 39 TRP HB3 1 40 HIS H . . 4.930 3.572 3.467 3.917 . 0 0 "[ . 1 . 2 . 3 ]" 1
511 1 57 LYS H 1 59 MET ME . . 5.430 5.066 4.542 5.464 0.034 21 0 "[ . 1 . 2 . 3 ]" 1
512 1 40 HIS H 1 123 ILE MD . . 4.130 3.670 3.355 4.001 . 0 0 "[ . 1 . 2 . 3 ]" 1
513 1 59 MET ME 1 113 TRP HE1 . . 5.500 2.406 1.941 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1
514 1 63 LEU QD 1 113 TRP HE1 . . 5.240 4.614 4.005 5.099 . 0 0 "[ . 1 . 2 . 3 ]" 1
515 1 37 GLU HB2 1 38 MET H . . 4.130 3.951 3.673 4.152 0.022 7 0 "[ . 1 . 2 . 3 ]" 1
516 1 35 TRP HB3 1 36 HIS H . . 5.270 3.187 3.044 3.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
517 1 34 LEU HB2 1 35 TRP H . . 4.900 3.659 1.833 4.705 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 34 LEU H 1 34 LEU HB2 . . 3.780 3.218 2.708 4.037 0.257 26 0 "[ . 1 . 2 . 3 ]" 1
519 1 34 LEU H 1 34 LEU QD . . 4.230 3.474 1.787 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 33 ILE H 1 34 LEU H . . 4.030 3.961 2.854 4.463 0.433 28 0 "[ . 1 . 2 . 3 ]" 1
521 1 32 PRO HA 1 33 ILE H . . 3.320 3.481 3.413 3.540 0.220 22 0 "[ . 1 . 2 . 3 ]" 1
522 1 33 ILE H 1 33 ILE HB . . 3.960 3.428 2.507 3.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 31 VAL H 1 32 PRO HD3 . . 4.710 4.525 4.310 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 29 ILE HA 1 30 ARG H . . 3.450 2.687 2.176 3.639 0.189 10 0 "[ . 1 . 2 . 3 ]" 1
525 1 29 ILE HB 1 30 ARG H . . 4.160 3.669 2.009 4.309 0.149 22 0 "[ . 1 . 2 . 3 ]" 1
526 1 30 ARG H 1 30 ARG HB3 . . 3.980 3.237 2.441 3.816 . 0 0 "[ . 1 . 2 . 3 ]" 1
527 1 30 ARG H 1 30 ARG HG3 . . 4.390 4.213 2.431 4.899 0.509 9 1 "[ . +1 . 2 . 3 ]" 1
528 1 28 LEU QB 1 29 ILE H . . 4.080 2.975 1.810 4.028 . 0 0 "[ . 1 . 2 . 3 ]" 1
529 1 29 ILE H 1 29 ILE HG13 . . 4.440 3.414 2.408 4.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
530 1 29 ILE H 1 29 ILE MG . . 4.030 3.587 2.450 4.075 0.045 17 0 "[ . 1 . 2 . 3 ]" 1
531 1 28 LEU H 1 28 LEU QB . . 3.420 2.840 1.953 3.274 . 0 0 "[ . 1 . 2 . 3 ]" 1
532 1 28 LEU H 1 28 LEU MD2 . . 4.790 3.679 1.963 4.895 0.105 30 0 "[ . 1 . 2 . 3 ]" 1
533 1 67 HIS H 1 68 ALA MB . . 4.920 4.292 4.215 4.349 . 0 0 "[ . 1 . 2 . 3 ]" 1
534 1 122 ARG HD2 1 123 ILE H . . 5.230 5.138 3.269 6.172 0.942 25 9 "[ . * 1 * *2 **+ * 3*-]" 1
535 1 116 TYR HA 1 119 VAL H . . 5.410 3.327 3.203 3.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
536 1 108 ASP HB2 1 109 LEU H . . 5.160 3.092 2.416 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 94 GLN HA 1 97 CYS H . . 5.320 3.174 3.025 3.325 . 0 0 "[ . 1 . 2 . 3 ]" 1
538 1 100 TYR HB3 1 101 MET H . . 4.320 2.598 2.304 2.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 92 GLU H 1 92 GLU HG2 . . 4.540 4.393 2.610 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 92 GLU HA 1 96 TRP HE1 . . 5.080 4.464 4.136 4.879 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 92 GLU HB2 1 96 TRP HE1 . . 4.960 4.497 2.933 4.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
542 1 92 GLU HG2 1 96 TRP HE1 . . 3.840 2.139 1.936 4.288 0.448 25 0 "[ . 1 . 2 . 3 ]" 1
543 1 70 MET HA 1 73 GLY H . . 4.330 3.665 3.507 3.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
544 1 56 VAL H 1 57 LYS QB . . 4.770 4.686 4.305 4.868 0.098 31 0 "[ . 1 . 2 . 3 ]" 1
545 1 46 ALA HA 1 49 LEU H . . 4.150 3.621 3.267 3.923 . 0 0 "[ . 1 . 2 . 3 ]" 1
546 1 45 GLU QB 1 47 SER H . . 4.960 4.721 4.541 4.871 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 43 LEU H 1 62 VAL QG . . 4.270 4.234 4.017 4.341 0.071 27 0 "[ . 1 . 2 . 3 ]" 1
548 1 43 LEU H 1 43 LEU HB3 . . 4.080 3.213 2.881 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 34 LEU HG 1 35 TRP H . . 4.830 3.449 2.052 5.065 0.235 19 0 "[ . 1 . 2 . 3 ]" 1
550 1 125 LYS QG 1 126 GLN H . . 5.500 3.267 2.210 3.909 . 0 0 "[ . 1 . 2 . 3 ]" 1
551 1 92 GLU H 1 93 ALA H . . 3.030 2.750 2.510 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 92 GLU HG2 1 93 ALA H . . 5.420 3.524 1.875 3.949 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 64 GLU HA 1 68 ALA H . . 4.210 3.951 3.821 4.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
554 1 86 TYR HA 1 88 ARG H . . 5.110 3.679 3.346 4.088 . 0 0 "[ . 1 . 2 . 3 ]" 1
555 1 59 MET H 1 59 MET QG . . 3.990 3.527 1.615 3.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 56 VAL HB 1 59 MET H . . 6.000 5.376 4.317 6.095 0.095 31 0 "[ . 1 . 2 . 3 ]" 1
557 1 56 VAL HA 1 59 MET H . . 4.520 3.231 2.893 3.510 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 46 ALA HA 1 59 MET H . . 4.850 3.649 3.277 3.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 96 TRP HA 1 99 LYS H . . 4.620 3.319 3.197 3.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 99 LYS HG2 1 100 TYR H . . 5.340 4.451 3.806 5.183 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 89 ASP H 1 92 GLU H . . 5.120 4.741 4.329 4.893 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 89 ASP HB3 1 92 GLU H . . 5.100 5.223 5.132 5.334 0.234 28 0 "[ . 1 . 2 . 3 ]" 1
563 1 93 ALA HA 1 96 TRP H . . 3.930 3.275 3.107 3.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 43 LEU HA 1 45 GLU H . . 5.100 4.434 4.273 4.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 112 ALA H 1 115 LEU H . . 5.500 4.748 4.651 4.880 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 110 THR HA 1 112 ALA H . . 4.570 4.501 4.312 4.623 0.053 28 0 "[ . 1 . 2 . 3 ]" 1
567 1 37 GLU HA 1 40 HIS H . . 3.940 3.528 3.367 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 71 GLU H 1 72 ARG H . . 3.430 2.747 2.696 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
569 1 107 LYS H 1 108 ASP H . . 4.160 2.866 2.721 2.926 . 0 0 "[ . 1 . 2 . 3 ]" 1
570 1 107 LYS HG2 1 108 ASP H . . 4.750 4.156 3.523 4.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
571 1 105 ASN HB3 1 108 ASP H . . 5.150 2.470 1.950 3.467 . 0 0 "[ . 1 . 2 . 3 ]" 1
572 1 109 LEU HA 1 111 GLN H . . 4.700 4.485 4.313 4.709 0.009 21 0 "[ . 1 . 2 . 3 ]" 1
573 1 116 TYR HB2 1 119 VAL H . . 5.500 5.463 5.248 5.640 0.140 15 0 "[ . 1 . 2 . 3 ]" 1
574 1 66 LEU H 1 67 HIS HA . . 5.500 5.432 5.415 5.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 116 TYR H 1 116 TYR QD . . 5.040 3.074 1.916 3.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 81 SER H 1 84 GLN H . . 5.400 4.568 4.418 4.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 80 THR MG 1 84 GLN H . . 5.500 4.337 3.665 5.310 . 0 0 "[ . 1 . 2 . 3 ]" 1
578 1 77 LEU MD2 1 80 THR H . . 5.500 4.784 4.073 5.191 . 0 0 "[ . 1 . 2 . 3 ]" 1
579 1 97 CYS H 1 99 LYS H . . 4.020 3.770 3.470 4.052 0.032 3 0 "[ . 1 . 2 . 3 ]" 1
580 1 95 GLU H 1 97 CYS H . . 5.400 3.860 3.691 4.017 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 35 TRP HE3 1 83 ASN H . . 5.500 5.121 4.609 5.543 0.043 6 0 "[ . 1 . 2 . 3 ]" 1
582 1 37 GLU H 1 39 TRP H . . 5.500 3.939 3.879 4.142 . 0 0 "[ . 1 . 2 . 3 ]" 1
583 1 92 GLU H 1 94 GLN H . . 4.000 3.977 3.889 4.082 0.082 25 0 "[ . 1 . 2 . 3 ]" 1
584 1 119 VAL HA 1 121 ARG H . . 4.090 4.144 4.014 4.294 0.204 10 0 "[ . 1 . 2 . 3 ]" 1
585 1 46 ALA MB 1 62 VAL H . . 5.200 3.971 3.798 4.159 . 0 0 "[ . 1 . 2 . 3 ]" 1
586 1 53 GLU H 1 55 ASN H . . 5.430 4.076 2.606 5.436 0.006 27 0 "[ . 1 . 2 . 3 ]" 1
587 1 103 SER H 1 104 GLY QA . . 5.280 4.094 3.544 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
588 1 76 THR H 1 79 GLU H . . 4.870 2.871 2.346 3.232 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 69 MET HA 1 73 GLY H . . 5.060 3.399 3.149 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 110 THR HA 1 114 ASP H . . 4.260 4.108 3.815 4.291 0.031 31 0 "[ . 1 . 2 . 3 ]" 1
591 1 114 ASP H 1 115 LEU HB2 . . 4.630 4.644 4.443 4.941 0.311 31 0 "[ . 1 . 2 . 3 ]" 1
592 1 100 TYR HA 1 105 ASN H . . 4.640 2.984 1.958 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 1
593 1 102 LYS H 1 102 LYS HG2 . . 4.580 4.130 3.826 4.702 0.122 17 0 "[ . 1 . 2 . 3 ]" 1
594 1 97 CYS HA 1 100 TYR H . . 4.960 3.479 3.202 3.742 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 95 GLU H 1 95 GLU HB2 . . 3.540 3.241 3.226 3.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 45 GLU QB 1 46 ALA H . . 4.160 2.491 2.425 2.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 30 ARG HB3 1 31 VAL H . . 4.540 3.756 1.942 4.736 0.196 23 0 "[ . 1 . 2 . 3 ]" 1
598 1 57 LYS QG 1 59 MET H . . 4.740 4.599 4.358 4.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 90 LEU QD 1 119 VAL QG . . 3.150 1.885 1.660 2.219 . 0 0 "[ . 1 . 2 . 3 ]" 1
600 1 66 LEU QD 1 69 MET ME . . 3.010 2.805 2.325 3.098 0.088 24 0 "[ . 1 . 2 . 3 ]" 1
601 1 66 LEU HA 1 66 LEU QD . . 3.180 1.909 1.849 2.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 63 LEU QD 1 66 LEU QD . . 3.260 2.388 2.053 2.871 . 0 0 "[ . 1 . 2 . 3 ]" 1
603 1 62 VAL HB 1 63 LEU QD . . 3.750 2.189 1.973 3.290 . 0 0 "[ . 1 . 2 . 3 ]" 1
604 1 106 VAL MG2 1 109 LEU QD . . 3.380 2.834 2.439 3.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
605 1 109 LEU QD 1 112 ALA MB . . 3.290 2.955 2.690 3.262 . 0 0 "[ . 1 . 2 . 3 ]" 1
606 1 56 VAL QG 1 109 LEU QD . . 3.050 1.656 1.516 1.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
607 1 109 LEU HB2 1 109 LEU QD . . 3.200 2.151 2.004 2.406 . 0 0 "[ . 1 . 2 . 3 ]" 1
608 1 59 MET ME 1 109 LEU QD . . 2.610 2.135 1.917 2.433 . 0 0 "[ . 1 . 2 . 3 ]" 1
609 1 43 LEU QD 1 63 LEU QD . . 3.200 2.321 2.051 2.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 90 LEU QD 1 93 ALA MB . . 3.450 3.339 2.866 3.704 0.254 28 0 "[ . 1 . 2 . 3 ]" 1
611 1 93 ALA MB 1 94 GLN HA . . 3.980 3.744 3.678 3.833 . 0 0 "[ . 1 . 2 . 3 ]" 1
612 1 93 ALA MB 1 112 ALA MB . . 3.460 2.807 2.320 3.295 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 90 LEU HA 1 93 ALA MB . . 3.880 2.629 2.048 3.009 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 119 VAL QG 1 123 ILE MG . . 3.590 3.280 2.734 3.625 0.035 29 0 "[ . 1 . 2 . 3 ]" 1
615 1 28 LEU HA 1 28 LEU MD1 . . 3.130 2.674 1.934 3.413 0.283 3 0 "[ . 1 . 2 . 3 ]" 1
616 1 29 ILE HA 1 29 ILE MG . . 2.960 2.662 2.159 3.196 0.236 21 0 "[ . 1 . 2 . 3 ]" 1
617 1 28 LEU HA 1 28 LEU MD2 . . 3.410 2.707 1.903 3.501 0.091 26 0 "[ . 1 . 2 . 3 ]" 1
618 1 56 VAL HA 1 56 VAL QG . . 3.220 2.175 2.042 2.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 93 ALA MB 1 115 LEU QD . . 3.300 2.336 1.846 2.738 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 56 VAL QG 1 59 MET ME . . 3.180 2.121 1.630 2.946 . 0 0 "[ . 1 . 2 . 3 ]" 1
621 1 123 ILE MD 1 123 ILE MG . . 2.920 2.112 1.868 2.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 62 VAL QG 1 63 LEU HG . . 4.700 3.966 3.616 4.159 . 0 0 "[ . 1 . 2 . 3 ]" 1
623 1 31 VAL HA 1 31 VAL QG . . 2.960 2.342 2.106 2.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 43 LEU HA 1 62 VAL QG . . 3.940 3.704 3.528 3.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 77 LEU HB2 1 77 LEU MD2 . . 3.290 2.407 2.108 3.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
626 1 46 ALA MB 1 62 VAL QG . . 3.190 2.045 1.770 2.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
627 1 46 ALA HA 1 62 VAL QG . . 3.530 2.607 2.346 3.126 . 0 0 "[ . 1 . 2 . 3 ]" 1
628 1 77 LEU HA 1 77 LEU MD1 . . 3.400 2.574 1.949 3.607 0.207 7 0 "[ . 1 . 2 . 3 ]" 1
629 1 92 GLU HG3 1 115 LEU QD . . 3.790 3.122 1.686 3.445 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 112 ALA MB 1 115 LEU QD . . 5.000 3.494 3.122 3.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
631 1 29 ILE HA 1 29 ILE HG13 . . 3.570 2.610 2.002 3.684 0.114 22 0 "[ . 1 . 2 . 3 ]" 1
632 1 29 ILE HG13 1 29 ILE MG . . 3.080 2.872 2.124 3.227 0.147 8 0 "[ . 1 . 2 . 3 ]" 1
633 1 106 VAL HA 1 106 VAL MG1 . . 3.210 2.962 2.569 3.207 . 0 0 "[ . 1 . 2 . 3 ]" 1
634 1 109 LEU HB3 1 109 LEU QD . . 3.060 2.306 2.102 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
635 1 33 ILE QG 1 33 ILE MG . . 3.160 2.301 1.986 2.574 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 93 ALA MB 1 115 LEU HB2 . . 3.520 1.921 1.790 2.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
637 1 123 ILE HA 1 123 ILE HG12 . . 3.860 3.661 3.587 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 112 ALA HA 1 115 LEU HB2 . . 3.900 2.816 2.557 3.357 . 0 0 "[ . 1 . 2 . 3 ]" 1
639 1 109 LEU HA 1 109 LEU HG . . 3.850 3.191 2.442 3.707 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 77 LEU MD2 1 80 THR MG . . 3.540 2.995 2.281 4.313 0.773 16 1 "[ . 1 .+ 2 . 3 ]" 1
641 1 80 THR MG 1 84 GLN HG3 . . 3.940 2.905 2.163 4.763 0.823 16 1 "[ . 1 .+ 2 . 3 ]" 1
642 1 123 ILE HG13 1 123 ILE MG . . 3.530 3.229 3.157 3.241 . 0 0 "[ . 1 . 2 . 3 ]" 1
643 1 54 ARG HB2 1 54 ARG QD . . 2.860 2.843 2.288 3.348 0.488 1 0 "[ . 1 . 2 . 3 ]" 1
644 1 125 LYS HA 1 125 LYS QG . . 3.340 2.173 1.909 3.178 . 0 0 "[ . 1 . 2 . 3 ]" 1
645 1 29 ILE HG12 1 29 ILE MG . . 3.290 2.407 1.950 3.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
646 1 29 ILE HA 1 29 ILE HG12 . . 3.600 3.032 1.999 3.667 0.067 24 0 "[ . 1 . 2 . 3 ]" 1
647 1 107 LYS HA 1 107 LYS HG3 . . 3.460 2.822 2.185 3.550 0.090 15 0 "[ . 1 . 2 . 3 ]" 1
648 1 99 LYS HA 1 99 LYS HG2 . . 3.390 2.537 2.311 2.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
649 1 99 LYS QE 1 99 LYS HG2 . . 3.660 2.723 1.953 3.368 . 0 0 "[ . 1 . 2 . 3 ]" 1
650 1 31 VAL QG 1 33 ILE QG . . 3.770 2.599 1.828 3.915 0.145 23 0 "[ . 1 . 2 . 3 ]" 1
651 1 33 ILE HA 1 33 ILE QG . . 3.850 3.299 2.435 3.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
652 1 102 LYS HA 1 102 LYS HG3 . . 3.600 3.456 3.283 3.516 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 63 LEU HB2 1 63 LEU QD . . 3.020 2.169 1.912 2.433 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 107 LYS QE 1 107 LYS HG2 . . 3.280 2.226 1.960 2.833 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 30 ARG HA 1 30 ARG HG3 . . 3.600 3.170 2.008 4.249 0.649 10 3 "[ . - + . 2 * 3 ]" 1
656 1 43 LEU HA 1 46 ALA MB . . 3.410 2.042 1.921 2.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
657 1 121 ARG HA 1 121 ARG QG . . 3.840 2.659 2.006 3.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
658 1 77 LEU HB2 1 77 LEU MD1 . . 3.080 3.046 2.139 3.217 0.137 25 0 "[ . 1 . 2 . 3 ]" 1
659 1 125 LYS QD 1 125 LYS QG . . 2.400 2.079 2.043 2.117 . 0 0 "[ . 1 . 2 . 3 ]" 1
660 1 31 VAL QG 1 34 LEU HG . . 3.690 2.849 1.730 3.698 0.008 20 0 "[ . 1 . 2 . 3 ]" 1
661 1 98 ARG QB 1 98 ARG QD . . 3.050 2.166 1.950 2.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
662 1 77 LEU HB3 1 77 LEU MD1 . . 2.890 2.406 2.124 2.866 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 69 MET ME 1 70 MET ME . . 3.060 1.709 1.627 1.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
664 1 72 ARG HA 1 72 ARG HG2 . . 3.610 3.711 3.606 3.800 0.190 21 0 "[ . 1 . 2 . 3 ]" 1
665 1 71 GLU QB 1 72 ARG HG2 . . 3.720 3.766 3.720 3.790 0.070 30 0 "[ . 1 . 2 . 3 ]" 1
666 1 94 GLN HA 1 94 GLN QG . . 3.380 2.487 2.266 2.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
667 1 33 ILE HB 1 33 ILE MD . . 3.190 2.689 1.963 3.207 0.017 32 0 "[ . 1 . 2 . 3 ]" 1
668 1 54 ARG HB3 1 54 ARG QD . . 3.500 2.931 2.248 3.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
669 1 125 LYS HA 1 125 LYS HB2 . . 2.900 2.754 2.267 2.916 0.016 5 0 "[ . 1 . 2 . 3 ]" 1
670 1 95 GLU HB2 1 95 GLU QG . . 2.580 2.385 2.340 2.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 115 LEU HB3 1 115 LEU QD . . 3.250 2.094 1.967 2.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
672 1 93 ALA MB 1 115 LEU HB3 . . 3.240 2.238 1.957 2.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
673 1 123 ILE HB 1 123 ILE MD . . 3.600 2.283 1.980 2.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 75 GLN HB3 1 76 THR MG . . 3.600 2.906 2.146 3.632 0.032 20 0 "[ . 1 . 2 . 3 ]" 1
675 1 45 GLU HA 1 48 ARG QB . . 3.930 2.288 1.917 2.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
676 1 31 VAL HA 1 32 PRO HG3 . . 4.000 4.190 4.180 4.207 0.207 28 0 "[ . 1 . 2 . 3 ]" 1
677 1 26 MET ME 1 26 MET HG2 . . 3.430 2.849 2.002 3.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 72 ARG QB 1 72 ARG QD . . 2.920 2.157 2.038 2.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 26 MET ME 1 26 MET HG3 . . 3.290 2.466 2.029 3.365 0.075 23 0 "[ . 1 . 2 . 3 ]" 1
680 1 69 MET QB 1 69 MET ME . . 3.600 3.425 3.292 3.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 66 LEU QD 1 69 MET QB . . 3.630 3.537 3.405 3.696 0.066 22 0 "[ . 1 . 2 . 3 ]" 1
682 1 99 LYS QB 1 99 LYS QE . . 3.770 3.159 2.754 3.450 . 0 0 "[ . 1 . 2 . 3 ]" 1
683 1 99 LYS QB 1 99 LYS QD . . 3.400 2.015 1.914 2.141 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 68 ALA MB 1 69 MET QB . . 4.000 3.828 3.783 3.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
685 1 95 GLU HA 1 95 GLU QG . . 2.980 3.045 3.016 3.069 0.089 29 0 "[ . 1 . 2 . 3 ]" 1
686 1 92 GLU HB3 1 115 LEU QD . . 3.150 2.129 1.794 3.777 0.627 25 1 "[ . 1 . 2 + 3 ]" 1
687 1 45 GLU QB 1 62 VAL QG . . 2.930 2.367 1.979 2.587 . 0 0 "[ . 1 . 2 . 3 ]" 1
688 1 69 MET QG 1 70 MET HG3 . . 3.540 3.343 2.753 3.671 0.131 27 0 "[ . 1 . 2 . 3 ]" 1
689 1 69 MET ME 1 69 MET QG . . 3.100 2.150 1.975 2.193 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 45 GLU QB 1 49 LEU QD . . 3.400 3.207 2.875 3.497 0.097 30 0 "[ . 1 . 2 . 3 ]" 1
691 1 68 ALA HA 1 71 GLU QB . . 3.360 2.932 2.611 3.163 . 0 0 "[ . 1 . 2 . 3 ]" 1
692 1 66 LEU HA 1 69 MET QG . . 3.950 3.516 3.367 3.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
693 1 59 MET QB 1 59 MET ME . . 3.030 1.929 1.843 2.121 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 101 MET HB3 1 101 MET ME . . 3.500 3.507 3.153 3.580 0.080 27 0 "[ . 1 . 2 . 3 ]" 1
695 1 64 GLU HB2 1 65 PRO HD2 . . 3.260 3.098 3.046 3.174 . 0 0 "[ . 1 . 2 . 3 ]" 1
696 1 126 GLN HA 1 126 GLN QG . . 3.280 2.291 1.945 3.332 0.052 7 0 "[ . 1 . 2 . 3 ]" 1
697 1 92 GLU HG2 1 115 LEU QD . . 3.440 1.889 1.736 2.133 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 45 GLU QG 1 62 VAL QG . . 3.290 2.983 1.927 3.268 . 0 0 "[ . 1 . 2 . 3 ]" 1
699 1 69 MET QG 1 70 MET ME . . 4.000 2.935 2.551 3.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
700 1 75 GLN HA 1 75 GLN HG2 . . 3.630 2.879 1.954 3.767 0.137 2 0 "[ . 1 . 2 . 3 ]" 1
701 1 26 MET HA 1 26 MET HG2 . . 3.770 2.916 2.063 3.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
702 1 49 LEU QD 1 55 ASN HB3 . . 3.620 3.444 2.827 3.901 0.281 30 0 "[ . 1 . 2 . 3 ]" 1
703 1 89 ASP HB3 1 119 VAL QG . . 3.580 2.133 1.899 2.412 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 43 LEU QD 1 116 TYR HB3 . . 3.570 2.659 2.169 3.119 . 0 0 "[ . 1 . 2 . 3 ]" 1
705 1 99 LYS QE 1 99 LYS HG3 . . 3.860 2.532 1.939 3.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
706 1 59 MET ME 1 59 MET QG . . 3.270 2.362 2.248 2.419 . 0 0 "[ . 1 . 2 . 3 ]" 1
707 1 91 MET ME 1 91 MET HG2 . . 3.500 2.954 2.175 3.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
708 1 114 ASP HB3 1 115 LEU QD . . 3.660 2.891 2.250 3.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 94 GLN HA 1 97 CYS QB . . 3.820 2.332 2.025 2.688 . 0 0 "[ . 1 . 2 . 3 ]" 1
710 1 38 MET ME 1 70 MET HG3 . . 3.260 2.081 1.803 2.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
711 1 70 MET HA 1 70 MET HG3 . . 3.670 3.708 3.568 3.784 0.114 29 0 "[ . 1 . 2 . 3 ]" 1
712 1 101 MET ME 1 101 MET HG2 . . 3.440 2.023 1.952 3.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
713 1 101 MET HA 1 101 MET HG2 . . 3.560 2.257 2.174 3.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
714 1 91 MET HA 1 91 MET HG3 . . 3.650 2.772 2.007 3.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
715 1 46 ALA MB 1 59 MET QB . . 3.510 2.112 1.867 2.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
716 1 46 ALA HA 1 59 MET QB . . 3.920 2.955 2.476 3.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
717 1 91 MET ME 1 91 MET HG3 . . 3.540 2.540 1.955 3.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
718 1 101 MET ME 1 101 MET HG3 . . 3.580 2.919 1.985 3.058 . 0 0 "[ . 1 . 2 . 3 ]" 1
719 1 86 TYR QB 1 90 LEU QD . . 3.860 2.301 1.700 2.984 . 0 0 "[ . 1 . 2 . 3 ]" 1
720 1 55 ASN HB2 1 57 LYS QG . . 3.600 3.489 2.597 3.943 0.343 13 0 "[ . 1 . 2 . 3 ]" 1
721 1 49 LEU QD 1 55 ASN HB2 . . 3.660 3.344 2.497 3.686 0.026 13 0 "[ . 1 . 2 . 3 ]" 1
722 1 39 TRP HB3 1 123 ILE MD . . 3.580 1.865 1.807 2.022 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 96 TRP HB2 1 112 ALA MB . . 3.250 2.057 1.789 2.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
724 1 39 TRP HB2 1 123 ILE MD . . 3.730 1.903 1.791 2.148 . 0 0 "[ . 1 . 2 . 3 ]" 1
725 1 109 LEU QD 1 113 TRP HB2 . . 3.780 3.092 2.465 3.707 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 119 VAL HA 1 119 VAL QG . . 3.280 2.339 1.967 2.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
727 1 59 MET ME 1 60 PHE QB . . 3.690 3.536 3.110 3.796 0.106 3 0 "[ . 1 . 2 . 3 ]" 1
728 1 60 PHE QB 1 101 MET ME . . 3.570 2.365 2.078 2.893 . 0 0 "[ . 1 . 2 . 3 ]" 1
729 1 42 GLY HA3 1 66 LEU QD . . 3.470 1.915 1.759 2.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
730 1 36 HIS HB3 1 123 ILE MG . . 4.000 4.099 4.033 4.188 0.188 29 0 "[ . 1 . 2 . 3 ]" 1
731 1 36 HIS HB3 1 123 ILE MD . . 3.420 3.320 3.162 3.483 0.063 29 0 "[ . 1 . 2 . 3 ]" 1
732 1 43 LEU QD 1 120 PHE QB . . 3.340 1.948 1.826 2.172 . 0 0 "[ . 1 . 2 . 3 ]" 1
733 1 118 HIS HB3 1 119 VAL QG . . 3.870 3.092 2.573 4.388 0.518 19 1 "[ . 1 . +2 . 3 ]" 1
734 1 56 VAL HA 1 59 MET ME . . 3.500 3.292 2.877 3.588 0.088 26 0 "[ . 1 . 2 . 3 ]" 1
735 1 64 GLU HB3 1 65 PRO HD3 . . 3.540 2.287 2.143 2.369 . 0 0 "[ . 1 . 2 . 3 ]" 1
736 1 64 GLU HB2 1 65 PRO HD3 . . 3.730 2.015 1.947 2.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
737 1 66 LEU HA 1 69 MET ME . . 3.390 3.294 2.904 3.504 0.114 29 0 "[ . 1 . 2 . 3 ]" 1
738 1 31 VAL HA 1 32 PRO HD2 . . 3.090 2.482 2.337 2.591 . 0 0 "[ . 1 . 2 . 3 ]" 1
739 1 31 VAL QG 1 32 PRO HD2 . . 3.480 1.995 1.767 2.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
740 1 111 GLN HA 1 111 GLN HG3 . . 3.610 2.784 1.968 3.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
741 1 44 GLU HA 1 44 GLU HG2 . . 3.630 2.443 1.943 3.719 0.089 13 0 "[ . 1 . 2 . 3 ]" 1
742 1 42 GLY HA2 1 66 LEU QD . . 3.810 2.026 1.901 2.318 . 0 0 "[ . 1 . 2 . 3 ]" 1
743 1 62 VAL HA 1 62 VAL QG . . 2.800 2.095 1.929 2.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
744 1 31 VAL QG 1 32 PRO HD3 . . 3.450 3.036 2.768 3.461 0.011 26 0 "[ . 1 . 2 . 3 ]" 1
745 1 93 ALA HA 1 115 LEU QD . . 3.390 2.234 1.721 2.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
746 1 101 MET HA 1 101 MET HG3 . . 3.780 3.364 3.215 3.725 . 0 0 "[ . 1 . 2 . 3 ]" 1
747 1 101 MET HA 1 101 MET ME . . 3.730 3.611 3.052 3.851 0.121 31 0 "[ . 1 . 2 . 3 ]" 1
748 1 54 ARG HA 1 54 ARG QD . . 3.360 2.237 1.883 3.607 0.247 31 0 "[ . 1 . 2 . 3 ]" 1
749 1 49 LEU QD 1 58 GLY HA3 . . 3.180 1.768 1.640 2.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
750 1 63 LEU HA 1 66 LEU QD . . 3.570 2.717 2.305 3.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
751 1 104 GLY QA 1 105 ASN HB2 . . 4.500 4.032 3.716 4.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
752 1 90 LEU HA 1 90 LEU QD . . 3.190 2.106 1.833 2.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
753 1 63 LEU HA 1 63 LEU QD . . 3.210 2.017 1.824 2.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
754 1 92 GLU HA 1 92 GLU HG3 . . 3.460 2.452 2.284 3.793 0.333 25 0 "[ . 1 . 2 . 3 ]" 1
755 1 106 VAL HA 1 106 VAL MG2 . . 3.230 2.127 1.965 2.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
756 1 92 GLU HA 1 95 GLU HB3 . . 3.030 2.579 2.260 2.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
757 1 99 LYS HA 1 99 LYS HG3 . . 3.670 3.095 2.151 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
758 1 90 LEU HA 1 90 LEU HG . . 3.770 2.998 2.349 3.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
759 1 84 GLN HA 1 84 GLN HG2 . . 3.490 2.258 2.002 3.749 0.259 16 0 "[ . 1 . 2 . 3 ]" 1
760 1 84 GLN HA 1 84 GLN HG3 . . 3.580 3.251 2.623 3.591 0.011 9 0 "[ . 1 . 2 . 3 ]" 1
761 1 110 THR HA 1 110 THR MG . . 3.000 2.482 2.341 2.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
762 1 43 LEU HA 1 43 LEU QD . . 3.330 1.930 1.799 2.073 . 0 0 "[ . 1 . 2 . 3 ]" 1
763 1 120 PHE HA 1 123 ILE MD . . 3.420 1.889 1.812 2.003 . 0 0 "[ . 1 . 2 . 3 ]" 1
764 1 43 LEU HA 1 43 LEU HG . . 3.910 3.044 2.691 3.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
765 1 71 GLU HA 1 71 GLU QG . . 3.900 2.955 2.454 3.241 . 0 0 "[ . 1 . 2 . 3 ]" 1
766 1 109 LEU HA 1 112 ALA MB . . 3.110 2.813 2.488 3.122 0.012 18 0 "[ . 1 . 2 . 3 ]" 1
767 1 109 LEU HA 1 109 LEU QD . . 3.360 2.105 1.956 2.555 . 0 0 "[ . 1 . 2 . 3 ]" 1
768 1 29 ILE HA 1 29 ILE MD . . 3.560 3.195 1.887 3.693 0.133 8 0 "[ . 1 . 2 . 3 ]" 1
769 1 123 ILE HA 1 123 ILE MG . . 3.270 2.105 1.957 2.264 . 0 0 "[ . 1 . 2 . 3 ]" 1
770 1 122 ARG HA 1 122 ARG QG . . 3.340 2.367 1.996 2.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
771 1 77 LEU HA 1 77 LEU MD2 . . 3.010 2.314 1.773 3.026 0.016 3 0 "[ . 1 . 2 . 3 ]" 1
772 1 122 ARG HA 1 122 ARG HD2 . . 3.460 3.080 2.028 4.408 0.948 22 2 "[ . 1 . 2 + - 3 ]" 1
773 1 69 MET ME 1 70 MET HA . . 3.850 3.839 3.672 3.940 0.090 27 0 "[ . 1 . 2 . 3 ]" 1
774 1 39 TRP HA 1 123 ILE MD . . 3.900 3.841 3.770 3.935 0.035 29 0 "[ . 1 . 2 . 3 ]" 1
775 1 115 LEU HA 1 115 LEU QD . . 2.910 2.702 2.365 2.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
776 1 91 MET HA 1 91 MET HG2 . . 3.710 2.893 2.014 3.839 0.129 23 0 "[ . 1 . 2 . 3 ]" 1
777 1 91 MET HA 1 91 MET ME . . 3.720 3.362 2.157 3.856 0.136 11 0 "[ . 1 . 2 . 3 ]" 1
778 1 64 GLU HA 1 64 GLU HG2 . . 3.590 2.470 1.956 3.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
779 1 64 GLU HA 1 64 GLU HG3 . . 3.470 2.968 1.961 3.537 0.067 13 0 "[ . 1 . 2 . 3 ]" 1
780 1 72 ARG HG3 1 73 GLY HA3 . . 3.360 3.385 3.210 3.446 0.086 21 0 "[ . 1 . 2 . 3 ]" 1
781 1 125 LYS HA 1 125 LYS QD . . 3.590 2.922 2.157 3.604 0.014 9 0 "[ . 1 . 2 . 3 ]" 1
782 1 82 PHE HA 1 85 ALA MB . . 3.570 2.526 2.153 2.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
783 1 28 LEU HA 1 28 LEU HG . . 3.590 2.964 2.070 3.717 0.127 18 0 "[ . 1 . 2 . 3 ]" 1
784 1 102 LYS HA 1 102 LYS HG2 . . 3.580 2.380 2.008 3.677 0.097 13 0 "[ . 1 . 2 . 3 ]" 1
785 1 102 LYS HA 1 102 LYS QD . . 3.520 2.705 1.860 3.334 . 0 0 "[ . 1 . 2 . 3 ]" 1
786 1 33 ILE HA 1 33 ILE MD . . 3.730 3.402 1.912 3.794 0.064 10 0 "[ . 1 . 2 . 3 ]" 1
787 1 102 LYS HA 1 102 LYS QE . . 3.760 2.974 2.037 3.857 0.097 22 0 "[ . 1 . 2 . 3 ]" 1
788 1 33 ILE HA 1 33 ILE MG . . 3.090 2.232 2.149 2.382 . 0 0 "[ . 1 . 2 . 3 ]" 1
789 1 35 TRP HA 1 70 MET ME . . 3.310 2.786 2.495 3.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
790 1 35 TRP HA 1 69 MET ME . . 3.330 3.462 3.165 3.642 0.312 29 0 "[ . 1 . 2 . 3 ]" 1
791 1 65 PRO HA 1 68 ALA MB . . 3.040 2.165 2.038 2.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
792 1 31 VAL HA 1 32 PRO HD3 . . 3.020 1.921 1.912 1.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
793 1 30 ARG HA 1 30 ARG QD . . 3.630 3.174 1.997 3.727 0.097 30 0 "[ . 1 . 2 . 3 ]" 1
794 1 96 TRP HA 1 112 ALA MB . . 4.500 4.215 3.842 4.525 0.025 6 0 "[ . 1 . 2 . 3 ]" 1
795 1 29 ILE MG 1 30 ARG HA . . 3.730 3.354 2.824 3.785 0.055 9 0 "[ . 1 . 2 . 3 ]" 1
796 1 59 MET ME 1 60 PHE HA . . 3.450 3.450 3.094 3.651 0.201 13 0 "[ . 1 . 2 . 3 ]" 1
797 1 45 GLU HA 1 49 LEU QD . . 4.500 3.884 3.518 4.209 . 0 0 "[ . 1 . 2 . 3 ]" 1
798 1 38 MET ME 1 67 HIS HA . . 3.350 3.078 2.286 3.371 0.021 12 0 "[ . 1 . 2 . 3 ]" 1
799 1 34 LEU HA 1 34 LEU QD . . 2.880 2.231 1.802 3.212 0.332 9 0 "[ . 1 . 2 . 3 ]" 1
800 1 50 TYR QD 1 56 VAL QG . . 3.450 2.186 1.766 3.187 . 0 0 "[ . 1 . 2 . 3 ]" 1
801 1 85 ALA MB 1 86 TYR QD . . 3.660 3.214 1.960 3.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
802 1 86 TYR QD 1 119 VAL QG . . 3.500 2.381 1.681 2.855 . 0 0 "[ . 1 . 2 . 3 ]" 1
803 1 50 TYR QE 1 56 VAL QG . . 3.200 2.585 1.854 3.210 0.010 15 0 "[ . 1 . 2 . 3 ]" 1
804 1 50 TYR QE 1 109 LEU QD . . 3.760 2.727 2.075 3.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
805 1 86 TYR QE 1 123 ILE MG . . 3.650 2.175 1.927 2.750 . 0 0 "[ . 1 . 2 . 3 ]" 1
806 1 85 ALA MB 1 86 TYR QE . . 3.460 3.453 2.844 3.617 0.157 23 0 "[ . 1 . 2 . 3 ]" 1
807 1 38 MET ME 1 67 HIS HD2 . . 3.530 2.550 1.947 3.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
808 1 67 HIS HD2 1 70 MET HG3 . . 3.860 3.517 3.106 3.843 . 0 0 "[ . 1 . 2 . 3 ]" 1
809 1 90 LEU QD 1 120 PHE QE . . 3.610 3.313 2.879 3.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
810 1 43 LEU QD 1 120 PHE QE . . 3.490 2.481 2.033 3.011 . 0 0 "[ . 1 . 2 . 3 ]" 1
811 1 100 TYR QE 1 109 LEU QD . . 3.530 2.335 1.976 2.709 . 0 0 "[ . 1 . 2 . 3 ]" 1
812 1 100 TYR QE 1 106 VAL HA . . 3.580 3.020 2.521 3.593 0.013 22 0 "[ . 1 . 2 . 3 ]" 1
813 1 56 VAL QG 1 100 TYR QE . . 3.430 2.544 1.865 3.283 . 0 0 "[ . 1 . 2 . 3 ]" 1
814 1 100 TYR QE 1 101 MET ME . . 3.850 3.076 2.398 3.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
815 1 43 LEU QD 1 113 TRP HZ2 . . 3.580 3.229 2.145 3.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
816 1 46 ALA MB 1 113 TRP HZ2 . . 3.050 2.622 2.171 3.128 0.078 31 0 "[ . 1 . 2 . 3 ]" 1
817 1 38 MET ME 1 39 TRP HZ2 . . 3.240 3.263 2.885 3.474 0.234 29 0 "[ . 1 . 2 . 3 ]" 1
818 1 93 ALA MB 1 115 LEU H . . 3.750 3.700 3.526 3.824 0.074 7 0 "[ . 1 . 2 . 3 ]" 1
819 1 35 TRP HD1 1 69 MET ME . . 3.420 3.377 2.961 3.495 0.075 26 0 "[ . 1 . 2 . 3 ]" 1
820 1 96 TRP HD1 1 115 LEU QD . . 3.190 2.446 1.895 2.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
821 1 35 TRP HD1 1 70 MET ME . . 3.700 3.041 2.559 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
822 1 43 LEU QD 1 120 PHE QD . . 3.560 2.106 1.926 2.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
823 1 38 MET ME 1 70 MET H . . 4.000 3.887 3.651 4.091 0.091 12 0 "[ . 1 . 2 . 3 ]" 1
824 1 100 TYR QD 1 101 MET ME . . 3.780 3.542 3.258 3.808 0.028 15 0 "[ . 1 . 2 . 3 ]" 1
825 1 93 ALA MB 1 116 TYR QD . . 3.740 2.997 1.933 3.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
826 1 100 TYR QD 1 109 LEU QD . . 3.460 3.227 2.872 3.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
827 1 59 MET ME 1 60 PHE HZ . . 3.410 3.132 2.667 3.524 0.114 22 0 "[ . 1 . 2 . 3 ]" 1
828 1 60 PHE QE 1 109 LEU QD . . 3.720 2.858 2.300 3.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
829 1 63 LEU QD 1 120 PHE HZ . . 3.860 3.033 2.100 3.497 . 0 0 "[ . 1 . 2 . 3 ]" 1
830 1 80 THR HA 1 80 THR MG . . 3.210 2.559 2.433 2.819 . 0 0 "[ . 1 . 2 . 3 ]" 1
831 1 77 LEU HA 1 80 THR MG . . 3.360 3.220 1.985 3.419 0.059 20 0 "[ . 1 . 2 . 3 ]" 1
832 1 59 MET ME 1 60 PHE QE . . 3.190 2.661 2.175 3.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
833 1 111 GLN HA 1 114 ASP HB2 . . 3.710 2.302 2.062 2.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
834 1 107 LYS HA 1 110 THR HB . . 3.320 2.728 2.575 2.926 . 0 0 "[ . 1 . 2 . 3 ]" 1
835 1 106 VAL HA 1 109 LEU HB2 . . 4.100 2.947 2.152 3.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
836 1 106 VAL HA 1 109 LEU HG . . 4.530 4.104 3.228 4.579 0.049 28 0 "[ . 1 . 2 . 3 ]" 1
837 1 100 TYR QD 1 104 GLY QA . . 4.140 3.440 2.852 4.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
838 1 99 LYS HA 1 102 LYS QB . . 3.900 3.164 2.634 3.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
839 1 97 CYS HA 1 112 ALA MB . . 4.010 3.323 3.001 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
840 1 97 CYS HA 1 100 TYR HB3 . . 3.870 2.747 2.257 3.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
841 1 60 PHE HZ 1 97 CYS HA . . 4.090 3.109 2.261 3.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
842 1 60 PHE QE 1 97 CYS HA . . 3.970 3.123 2.056 3.927 . 0 0 "[ . 1 . 2 . 3 ]" 1
843 1 94 GLN HA 1 112 ALA MB . . 4.500 4.325 3.902 4.545 0.045 13 0 "[ . 1 . 2 . 3 ]" 1
844 1 63 LEU HA 1 66 LEU HB2 . . 3.790 1.929 1.825 2.016 . 0 0 "[ . 1 . 2 . 3 ]" 1
845 1 63 LEU HA 1 63 LEU HG . . 4.120 3.384 3.037 3.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
846 1 64 GLU HB3 1 65 PRO HD2 . . 3.560 3.659 3.539 3.726 0.166 22 0 "[ . 1 . 2 . 3 ]" 1
847 1 82 PHE HA 1 86 TYR QD . . 4.050 4.065 3.143 4.213 0.163 21 0 "[ . 1 . 2 . 3 ]" 1
848 1 86 TYR QD 1 90 LEU QD . . 4.570 3.481 2.807 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
849 1 39 TRP HH2 1 86 TYR QD . . 4.340 3.802 2.506 4.388 0.048 5 0 "[ . 1 . 2 . 3 ]" 1
850 1 82 PHE QD 1 86 TYR QE . . 3.620 3.062 1.994 3.652 0.032 31 0 "[ . 1 . 2 . 3 ]" 1
851 1 86 TYR QE 1 122 ARG HB2 . . 3.710 2.934 1.974 3.798 0.088 12 0 "[ . 1 . 2 . 3 ]" 1
852 1 86 TYR QE 1 122 ARG HB3 . . 3.730 2.979 2.449 3.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
853 1 86 TYR QE 1 122 ARG QG . . 4.050 3.301 2.585 4.149 0.099 26 0 "[ . 1 . 2 . 3 ]" 1
854 1 86 TYR QE 1 119 VAL QG . . 4.110 3.256 1.995 3.792 . 0 0 "[ . 1 . 2 . 3 ]" 1
855 1 86 TYR QE 1 119 VAL HA . . 4.020 2.644 1.982 3.095 . 0 0 "[ . 1 . 2 . 3 ]" 1
856 1 86 TYR QE 1 123 ILE HA . . 4.090 4.152 4.066 4.237 0.147 5 0 "[ . 1 . 2 . 3 ]" 1
857 1 82 PHE HA 1 86 TYR QE . . 4.060 3.923 3.357 4.152 0.092 19 0 "[ . 1 . 2 . 3 ]" 1
858 1 66 LEU HB3 1 67 HIS HD2 . . 4.350 3.631 2.856 4.370 0.020 26 0 "[ . 1 . 2 . 3 ]" 1
859 1 66 LEU HB3 1 67 HIS H . . 4.420 3.144 2.777 3.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
860 1 100 TYR QD 1 101 MET HG2 . . 4.010 2.306 2.019 2.707 . 0 0 "[ . 1 . 2 . 3 ]" 1
861 1 54 ARG H 1 54 ARG HB2 . . 3.990 2.946 2.117 3.823 . 0 0 "[ . 1 . 2 . 3 ]" 1
862 1 54 ARG H 1 55 ASN H . . 3.750 2.760 1.874 3.657 . 0 0 "[ . 1 . 2 . 3 ]" 1
863 1 117 TYR QD 1 118 HIS H . . 4.130 4.209 4.031 4.317 0.187 27 0 "[ . 1 . 2 . 3 ]" 1
864 1 102 LYS H 1 103 SER H . . 3.430 2.516 2.228 2.915 . 0 0 "[ . 1 . 2 . 3 ]" 1
865 1 117 TYR QD 1 120 PHE QB . . 4.170 3.425 3.090 3.571 . 0 0 "[ . 1 . 2 . 3 ]" 1
866 1 54 ARG H 1 54 ARG QD . . 3.550 3.271 1.883 3.984 0.434 30 0 "[ . 1 . 2 . 3 ]" 1
867 1 119 VAL QG 1 120 PHE QE . . 3.560 3.226 2.732 3.579 0.019 29 0 "[ . 1 . 2 . 3 ]" 1
868 1 116 TYR H 1 117 TYR H . . 4.350 2.894 2.715 2.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
869 1 117 TYR HA 1 120 PHE H . . 4.350 3.484 3.173 3.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
870 1 119 VAL HB 1 120 PHE H . . 4.240 3.615 2.514 4.219 . 0 0 "[ . 1 . 2 . 3 ]" 1
871 1 119 VAL QG 1 120 PHE H . . 4.150 2.178 1.860 2.660 . 0 0 "[ . 1 . 2 . 3 ]" 1
872 1 43 LEU HB3 1 120 PHE QD . . 4.140 3.838 3.033 4.498 0.358 23 0 "[ . 1 . 2 . 3 ]" 1
873 1 82 PHE H 1 83 ASN H . . 4.170 2.727 2.631 2.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
874 1 105 ASN HA 1 106 VAL H . . 3.310 2.353 2.252 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
875 1 106 VAL H 1 107 LYS H . . 4.480 2.761 2.498 2.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
876 1 117 TYR H 1 117 TYR QD . . 4.470 3.971 3.898 4.052 . 0 0 "[ . 1 . 2 . 3 ]" 1
877 1 82 PHE HB2 1 83 ASN H . . 4.120 3.701 3.178 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1
878 1 82 PHE HB3 1 83 ASN H . . 4.350 2.315 2.197 2.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
879 1 83 ASN H 1 83 ASN HB3 . . 4.100 2.739 2.310 3.218 . 0 0 "[ . 1 . 2 . 3 ]" 1
880 1 103 SER H 1 104 GLY H . . 3.630 2.729 1.920 3.002 . 0 0 "[ . 1 . 2 . 3 ]" 1
881 1 103 SER H 1 103 SER QB . . 3.680 2.495 2.130 3.017 . 0 0 "[ . 1 . 2 . 3 ]" 1
882 1 105 ASN H 1 105 ASN HB3 . . 3.780 3.446 3.207 3.814 0.034 3 0 "[ . 1 . 2 . 3 ]" 1
883 1 100 TYR HA 1 104 GLY H . . 4.190 2.183 1.846 3.974 . 0 0 "[ . 1 . 2 . 3 ]" 1
884 1 113 TRP HA 1 116 TYR H . . 4.290 3.476 3.322 3.614 . 0 0 "[ . 1 . 2 . 3 ]" 1
885 1 39 TRP HE1 1 69 MET ME . . 4.500 4.466 4.138 4.632 0.132 25 0 "[ . 1 . 2 . 3 ]" 1
886 1 120 PHE H 1 121 ARG H . . 4.450 2.623 2.504 2.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
887 1 121 ARG H 1 122 ARG H . . 4.110 2.432 2.341 2.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
888 1 120 PHE QD 1 121 ARG H . . 4.520 4.468 4.209 4.596 0.076 29 0 "[ . 1 . 2 . 3 ]" 1
889 1 83 ASN H 1 84 GLN H . . 4.010 2.611 2.447 2.813 . 0 0 "[ . 1 . 2 . 3 ]" 1
890 1 84 GLN H 1 85 ALA H . . 3.860 2.507 2.397 2.584 . 0 0 "[ . 1 . 2 . 3 ]" 1
891 1 82 PHE HA 1 84 GLN H . . 4.000 4.120 4.040 4.205 0.205 24 0 "[ . 1 . 2 . 3 ]" 1
892 1 83 ASN HB3 1 84 GLN H . . 4.160 2.912 2.695 3.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
893 1 83 ASN HB2 1 84 GLN H . . 4.410 3.810 3.345 4.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
894 1 84 GLN H 1 84 GLN HG3 . . 4.050 3.296 2.629 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
895 1 84 GLN H 1 84 GLN HG2 . . 4.460 3.453 2.771 4.126 . 0 0 "[ . 1 . 2 . 3 ]" 1
896 1 63 LEU HB3 1 64 GLU H . . 4.060 3.874 3.649 4.152 0.092 7 0 "[ . 1 . 2 . 3 ]" 1
897 1 63 LEU HB2 1 64 GLU H . . 4.480 2.699 2.608 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
898 1 64 GLU H 1 65 PRO HD3 . . 4.120 2.898 2.801 2.959 . 0 0 "[ . 1 . 2 . 3 ]" 1
899 1 109 LEU H 1 110 THR H . . 3.780 2.695 2.597 2.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
900 1 63 LEU H 1 64 GLU H . . 4.030 2.460 2.409 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
901 1 36 HIS H 1 37 GLU H . . 4.310 2.814 2.792 2.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
902 1 35 TRP H 1 36 HIS H . . 4.550 2.673 2.332 2.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
903 1 50 TYR H 1 51 PHE H . . 3.550 2.785 2.517 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 1
904 1 51 PHE H 1 52 GLY H . . 3.960 2.552 2.476 2.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
905 1 50 TYR HB3 1 51 PHE H . . 4.030 2.220 2.049 2.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
906 1 113 TRP H 1 113 TRP HB2 . . 3.850 2.005 1.993 2.030 . 0 0 "[ . 1 . 2 . 3 ]" 1
907 1 113 TRP H 1 113 TRP HB3 . . 3.990 3.232 3.128 3.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
908 1 47 SER HA 1 51 PHE H . . 4.390 3.550 3.169 4.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
909 1 110 THR HA 1 113 TRP H . . 3.890 3.338 3.176 3.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
910 1 87 GLY H 1 88 ARG H . . 3.800 2.999 2.871 3.119 . 0 0 "[ . 1 . 2 . 3 ]" 1
911 1 55 ASN H 1 55 ASN HB3 . . 4.200 3.513 3.022 3.941 . 0 0 "[ . 1 . 2 . 3 ]" 1
912 1 88 ARG H 1 88 ARG HB3 . . 3.700 2.778 2.304 3.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
913 1 100 TYR H 1 100 TYR HB3 . . 3.960 2.010 1.917 2.235 . 0 0 "[ . 1 . 2 . 3 ]" 1
914 1 80 THR H 1 80 THR HB . . 3.500 2.343 1.993 3.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
915 1 100 TYR H 1 101 MET H . . 3.890 2.561 2.421 2.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
916 1 39 TRP H 1 39 TRP HB2 . . 3.730 2.355 2.297 2.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
917 1 34 LEU H 1 34 LEU HB3 . . 4.120 3.479 3.106 3.635 . 0 0 "[ . 1 . 2 . 3 ]" 1
918 1 33 ILE MG 1 34 LEU H . . 4.170 4.042 2.734 4.347 0.177 7 0 "[ . 1 . 2 . 3 ]" 1
919 1 68 ALA H 1 69 MET H . . 3.810 2.873 2.812 2.911 . 0 0 "[ . 1 . 2 . 3 ]" 1
920 1 67 HIS H 1 68 ALA H . . 3.800 2.784 2.708 2.828 . 0 0 "[ . 1 . 2 . 3 ]" 1
921 1 33 ILE HA 1 34 LEU H . . 3.390 2.345 2.176 3.607 0.217 32 0 "[ . 1 . 2 . 3 ]" 1
922 1 60 PHE HA 1 60 PHE QD . . 3.460 2.112 1.766 3.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
923 1 57 LYS HA 1 60 PHE QD . . 3.950 2.418 1.971 3.449 . 0 0 "[ . 1 . 2 . 3 ]" 1
924 1 60 PHE H 1 60 PHE QD . . 3.990 3.094 2.148 3.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
925 1 59 MET QB 1 60 PHE H . . 4.000 2.616 2.368 3.157 . 0 0 "[ . 1 . 2 . 3 ]" 1
926 1 57 LYS H 1 57 LYS QG . . 3.990 2.143 1.870 2.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
927 1 114 ASP H 1 114 ASP HB3 . . 3.930 3.030 2.784 3.265 . 0 0 "[ . 1 . 2 . 3 ]" 1
928 1 114 ASP H 1 114 ASP HB2 . . 3.680 2.046 1.989 2.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
929 1 111 GLN HA 1 114 ASP H . . 4.320 3.240 3.086 3.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
930 1 114 ASP H 1 115 LEU H . . 3.940 2.707 2.600 2.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
931 1 57 LYS H 1 58 GLY H . . 3.230 2.745 2.494 2.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
932 1 113 TRP H 1 114 ASP H . . 3.840 2.582 2.419 2.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
933 1 56 VAL HB 1 57 LYS H . . 4.500 3.558 3.038 4.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
934 1 46 ALA H 1 47 SER H . . 4.050 2.814 2.711 2.865 . 0 0 "[ . 1 . 2 . 3 ]" 1
935 1 47 SER H 1 48 ARG H . . 3.650 2.661 2.501 2.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
936 1 30 ARG H 1 31 VAL H . . 4.360 4.150 2.427 4.661 0.301 19 0 "[ . 1 . 2 . 3 ]" 1
937 1 86 TYR H 1 87 GLY H . . 3.480 2.145 1.874 2.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
938 1 85 ALA H 1 87 GLY H . . 4.350 3.739 3.603 3.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
939 1 83 ASN HA 1 87 GLY H . . 3.920 3.939 3.699 4.039 0.119 23 0 "[ . 1 . 2 . 3 ]" 1
940 1 99 LYS H 1 100 TYR H . . 3.600 2.649 2.484 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
941 1 42 GLY H 1 43 LEU H . . 4.010 2.995 2.916 3.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
942 1 42 GLY H 1 66 LEU QD . . 4.350 3.210 2.659 3.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
943 1 90 LEU H 1 91 MET H . . 3.940 2.775 2.683 2.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
944 1 38 MET H 1 39 TRP H . . 3.500 2.492 2.412 2.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
945 1 37 GLU H 1 38 MET H . . 4.250 2.541 2.465 2.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
946 1 88 ARG HA 1 91 MET H . . 4.000 3.443 3.252 3.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
947 1 91 MET H 1 91 MET HG3 . . 4.540 3.826 3.101 4.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
948 1 89 ASP HB2 1 91 MET H . . 4.620 4.659 4.412 4.785 0.165 23 0 "[ . 1 . 2 . 3 ]" 1
949 1 33 ILE H 1 33 ILE MD . . 4.070 2.869 1.887 3.879 . 0 0 "[ . 1 . 2 . 3 ]" 1
950 1 90 LEU QD 1 91 MET H . . 4.580 4.066 3.399 4.262 . 0 0 "[ . 1 . 2 . 3 ]" 1
951 1 32 PRO HB2 1 33 ILE H . . 3.620 3.080 1.913 3.625 0.005 26 0 "[ . 1 . 2 . 3 ]" 1
952 1 95 GLU H 1 96 TRP H . . 3.660 2.637 2.542 2.729 . 0 0 "[ . 1 . 2 . 3 ]" 1
953 1 96 TRP H 1 97 CYS H . . 3.590 2.449 2.352 2.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
954 1 82 PHE H 1 82 PHE HB3 . . 4.040 2.319 1.978 2.861 . 0 0 "[ . 1 . 2 . 3 ]" 1
955 1 82 PHE H 1 82 PHE HB2 . . 4.070 2.417 1.944 2.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
956 1 30 ARG HA 1 31 VAL H . . 3.130 2.405 2.225 2.917 . 0 0 "[ . 1 . 2 . 3 ]" 1
957 1 101 MET H 1 101 MET HB3 . . 3.850 3.498 3.469 3.524 . 0 0 "[ . 1 . 2 . 3 ]" 1
958 1 41 GLU H 1 41 GLU HG2 . . 4.420 2.923 1.930 4.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
959 1 27 GLU HA 1 28 LEU H . . 3.400 3.432 3.301 3.589 0.189 22 0 "[ . 1 . 2 . 3 ]" 1
960 1 40 HIS QB 1 41 GLU H . . 3.550 2.681 2.296 3.128 . 0 0 "[ . 1 . 2 . 3 ]" 1
961 1 108 ASP H 1 108 ASP HB2 . . 3.990 2.727 2.129 3.454 . 0 0 "[ . 1 . 2 . 3 ]" 1
962 1 106 VAL HA 1 108 ASP H . . 4.390 4.331 3.877 4.478 0.088 22 0 "[ . 1 . 2 . 3 ]" 1
963 1 90 LEU H 1 90 LEU HB2 . . 3.960 2.323 2.171 2.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
964 1 29 ILE H 1 29 ILE HG12 . . 4.150 3.959 1.882 4.566 0.416 31 0 "[ . 1 . 2 . 3 ]" 1
965 1 88 ARG HB3 1 89 ASP H . . 3.710 2.801 2.336 4.034 0.324 6 0 "[ . 1 . 2 . 3 ]" 1
966 1 29 ILE H 1 29 ILE HB . . 3.780 2.687 1.980 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
967 1 89 ASP H 1 89 ASP HB3 . . 3.920 3.537 3.469 3.555 . 0 0 "[ . 1 . 2 . 3 ]" 1
968 1 28 LEU HA 1 29 ILE H . . 3.310 2.775 2.174 3.453 0.143 24 0 "[ . 1 . 2 . 3 ]" 1
969 1 122 ARG H 1 123 ILE H . . 3.830 2.661 2.526 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
970 1 123 ILE H 1 124 SER H . . 3.860 2.839 2.633 2.904 . 0 0 "[ . 1 . 2 . 3 ]" 1
971 1 29 ILE H 1 30 ARG H . . 4.500 4.147 2.721 4.673 0.173 12 0 "[ . 1 . 2 . 3 ]" 1
972 1 88 ARG H 1 89 ASP H . . 3.760 2.491 2.352 2.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
973 1 43 LEU H 1 44 GLU H . . 3.990 2.650 2.590 2.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
974 1 118 HIS HB3 1 119 VAL H . . 4.180 2.841 2.378 3.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
975 1 78 LYS QB 1 79 GLU H . . 3.490 2.727 2.258 2.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
976 1 126 GLN H 1 126 GLN QG . . 4.200 3.474 2.000 4.215 0.015 1 0 "[ . 1 . 2 . 3 ]" 1
977 1 125 LYS HA 1 126 GLN H . . 3.430 2.407 2.177 3.602 0.172 13 0 "[ . 1 . 2 . 3 ]" 1
978 1 95 GLU H 1 95 GLU HB3 . . 3.460 2.026 2.017 2.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
979 1 86 TYR H 1 87 GLY HA2 . . 4.520 4.580 4.336 4.778 0.258 26 0 "[ . 1 . 2 . 3 ]" 1
980 1 83 ASN HA 1 86 TYR H . . 4.430 3.858 3.588 4.078 . 0 0 "[ . 1 . 2 . 3 ]" 1
981 1 86 TYR H 1 86 TYR QD . . 4.020 2.949 1.955 3.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
982 1 93 ALA H 1 94 GLN H . . 4.120 2.770 2.643 2.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
983 1 79 GLU H 1 80 THR H . . 3.750 2.460 2.280 2.841 . 0 0 "[ . 1 . 2 . 3 ]" 1
984 1 119 VAL H 1 120 PHE H . . 3.940 2.626 2.398 2.857 . 0 0 "[ . 1 . 2 . 3 ]" 1
985 1 94 GLN H 1 96 TRP H . . 4.090 4.118 4.019 4.181 0.091 18 0 "[ . 1 . 2 . 3 ]" 1
986 1 45 GLU H 1 46 ALA H . . 3.950 2.584 2.451 2.762 . 0 0 "[ . 1 . 2 . 3 ]" 1
987 1 85 ALA H 1 86 TYR H . . 3.780 2.900 2.648 3.050 . 0 0 "[ . 1 . 2 . 3 ]" 1
988 1 45 GLU H 1 45 GLU QB . . 3.170 2.156 2.073 2.230 . 0 0 "[ . 1 . 2 . 3 ]" 1
989 1 45 GLU H 1 45 GLU QG . . 3.850 3.883 3.807 3.955 0.105 30 0 "[ . 1 . 2 . 3 ]" 1
990 1 70 MET H 1 71 GLU H . . 3.700 2.571 2.499 2.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
991 1 58 GLY H 1 59 MET H . . 3.720 2.881 2.572 2.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
992 1 59 MET H 1 60 PHE H . . 3.870 2.827 2.665 2.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
993 1 118 HIS H 1 119 VAL H . . 3.750 2.714 2.637 2.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
994 1 117 TYR H 1 118 HIS H . . 4.150 2.880 2.818 2.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
995 1 96 TRP HE3 1 108 ASP HA . . 3.460 3.021 2.638 3.473 0.013 22 0 "[ . 1 . 2 . 3 ]" 1
996 1 96 TRP HA 1 96 TRP HE3 . . 3.400 2.750 2.613 2.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
997 1 118 HIS H 1 118 HIS HB2 . . 3.590 2.115 1.990 2.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
998 1 96 TRP HE3 1 108 ASP HB2 . . 3.900 3.395 1.966 3.994 0.094 23 0 "[ . 1 . 2 . 3 ]" 1
999 1 96 TRP HE3 1 108 ASP HB3 . . 3.910 2.754 1.991 4.103 0.193 7 0 "[ . 1 . 2 . 3 ]" 1
1000 1 96 TRP HE3 1 99 LYS QE . . 3.910 3.010 1.988 3.866 . 0 0 "[ . 1 . 2 . 3 ]" 1
1001 1 59 MET H 1 59 MET QB . . 3.680 2.261 2.085 2.815 . 0 0 "[ . 1 . 2 . 3 ]" 1
1002 1 96 TRP HE3 1 99 LYS QB . . 4.190 3.494 3.064 3.933 . 0 0 "[ . 1 . 2 . 3 ]" 1
1003 1 49 LEU H 1 52 GLY H . . 4.370 4.385 4.205 4.516 0.146 30 0 "[ . 1 . 2 . 3 ]" 1
1004 1 69 MET H 1 70 MET H . . 3.470 2.838 2.823 2.866 . 0 0 "[ . 1 . 2 . 3 ]" 1
1005 1 124 SER H 1 125 LYS H . . 4.080 2.437 2.210 2.540 . 0 0 "[ . 1 . 2 . 3 ]" 1
1006 1 66 LEU HA 1 69 MET H . . 4.040 3.663 3.595 3.734 . 0 0 "[ . 1 . 2 . 3 ]" 1
1007 1 124 SER H 1 124 SER HB2 . . 3.860 2.872 2.057 3.610 . 0 0 "[ . 1 . 2 . 3 ]" 1
1008 1 124 SER H 1 124 SER HB3 . . 4.050 2.905 2.223 3.610 . 0 0 "[ . 1 . 2 . 3 ]" 1
1009 1 124 SER HA 1 125 LYS H . . 3.640 3.634 3.613 3.647 0.007 28 0 "[ . 1 . 2 . 3 ]" 1
1010 1 35 TRP HB2 1 35 TRP HE3 . . 3.800 3.132 2.887 3.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
1011 1 92 GLU HG3 1 96 TRP HE1 . . 4.210 2.235 1.990 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
1012 1 71 GLU QG 1 72 ARG H . . 4.340 3.522 3.426 3.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
1013 1 123 ILE HB 1 124 SER H . . 3.860 3.807 3.673 3.913 0.053 8 0 "[ . 1 . 2 . 3 ]" 1
1014 1 124 SER H 1 125 LYS HB2 . . 4.160 4.208 3.922 5.154 0.994 1 3 "[+ . 1 -. 2 . * 3 ]" 1
1015 1 61 GLU H 1 62 VAL H . . 3.970 2.487 2.455 2.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
1016 1 60 PHE HA 1 62 VAL H . . 4.390 3.824 3.764 3.933 . 0 0 "[ . 1 . 2 . 3 ]" 1
1017 1 61 GLU QB 1 62 VAL H . . 4.060 3.412 3.173 3.820 . 0 0 "[ . 1 . 2 . 3 ]" 1
1018 1 63 LEU H 1 63 LEU HB3 . . 4.120 3.544 3.503 3.565 . 0 0 "[ . 1 . 2 . 3 ]" 1
1019 1 82 PHE QD 1 83 ASN H . . 4.330 2.933 2.034 4.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
1020 1 82 PHE H 1 82 PHE QD . . 4.090 3.980 3.649 4.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
1021 1 35 TRP HE3 1 82 PHE QD . . 3.400 2.871 2.137 3.442 0.042 11 0 "[ . 1 . 2 . 3 ]" 1
1022 1 82 PHE QD 1 86 TYR QD . . 4.000 3.385 2.750 4.030 0.030 31 0 "[ . 1 . 2 . 3 ]" 1
1023 1 82 PHE QD 1 83 ASN HA . . 4.020 2.846 2.241 4.080 0.060 16 0 "[ . 1 . 2 . 3 ]" 1
1024 1 82 PHE HA 1 82 PHE QD . . 3.690 3.089 2.522 3.274 . 0 0 "[ . 1 . 2 . 3 ]" 1
1025 1 39 TRP HH2 1 90 LEU QD . . 4.450 1.706 1.643 1.908 . 0 0 "[ . 1 . 2 . 3 ]" 1
1026 1 110 THR HB 1 111 GLN H . . 3.800 2.700 2.559 2.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
1027 1 35 TRP HZ2 1 74 PRO HA . . 3.940 2.542 1.948 3.058 . 0 0 "[ . 1 . 2 . 3 ]" 1
1028 1 60 PHE HA 1 60 PHE QE . . 4.500 4.307 4.160 4.615 0.115 32 0 "[ . 1 . 2 . 3 ]" 1
1029 1 75 GLN H 1 76 THR H . . 3.820 2.592 1.979 3.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
1030 1 100 TYR QD 1 104 GLY H . . 4.160 4.170 3.925 4.274 0.114 6 0 "[ . 1 . 2 . 3 ]" 1
1031 1 110 THR H 1 111 GLN H . . 3.930 2.738 2.672 2.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
1032 1 112 ALA H 1 113 TRP H . . 3.950 2.711 2.536 2.847 . 0 0 "[ . 1 . 2 . 3 ]" 1
1033 1 100 TYR QD 1 101 MET H . . 3.010 2.572 2.223 3.054 0.044 8 0 "[ . 1 . 2 . 3 ]" 1
1034 1 101 MET H 1 102 LYS H . . 3.980 2.701 2.527 2.865 . 0 0 "[ . 1 . 2 . 3 ]" 1
1035 1 96 TRP HZ3 1 108 ASP HA . . 3.940 3.853 3.111 3.997 0.057 8 0 "[ . 1 . 2 . 3 ]" 1
1036 1 117 TYR HA 1 117 TYR QD . . 3.390 2.251 2.015 2.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
1037 1 100 TYR HA 1 100 TYR QD . . 3.880 3.166 2.910 3.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
1038 1 113 TRP HA 1 116 TYR QD . . 3.580 2.136 1.956 3.682 0.102 15 0 "[ . 1 . 2 . 3 ]" 1
1039 1 35 TRP HZ3 1 83 ASN HA . . 4.060 3.631 2.201 4.088 0.028 30 0 "[ . 1 . 2 . 3 ]" 1
1040 1 39 TRP HA 1 120 PHE HZ . . 3.720 3.489 3.370 3.631 . 0 0 "[ . 1 . 2 . 3 ]" 1
1041 1 109 LEU HA 1 112 ALA H . . 4.140 3.482 3.307 3.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
1042 1 63 LEU HA 1 120 PHE HZ . . 5.000 4.605 4.033 4.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
1043 1 100 TYR QD 1 106 VAL HA . . 3.940 3.405 2.783 3.985 0.045 12 0 "[ . 1 . 2 . 3 ]" 1
1044 1 39 TRP HB3 1 120 PHE HZ . . 4.190 4.381 4.233 4.494 0.304 26 0 "[ . 1 . 2 . 3 ]" 1
1045 1 96 TRP HB2 1 112 ALA H . . 4.250 3.666 3.330 4.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
1046 1 35 TRP HZ3 1 83 ASN HB2 . . 3.900 2.787 1.991 3.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
1047 1 60 PHE QE 1 97 CYS QB . . 4.340 2.329 1.953 3.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
1048 1 122 ARG H 1 122 ARG HB2 . . 3.870 2.165 2.009 2.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
1049 1 59 MET ME 1 60 PHE QD . . 4.000 2.771 1.945 3.059 . 0 0 "[ . 1 . 2 . 3 ]" 1
1050 1 56 VAL QG 1 60 PHE QD . . 3.960 2.474 1.784 3.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
1051 1 75 GLN HB2 1 76 THR H . . 3.680 3.090 2.629 3.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
1052 1 101 MET HB3 1 102 LYS H . . 3.730 3.663 3.274 3.794 0.064 3 0 "[ . 1 . 2 . 3 ]" 1
1053 1 76 THR H 1 76 THR MG . . 3.680 2.873 2.305 3.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
1054 1 43 LEU QD 1 113 TRP HH2 . . 4.190 2.101 1.696 2.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
1055 1 56 VAL QG 1 60 PHE QE . . 3.850 1.958 1.801 2.329 . 0 0 "[ . 1 . 2 . 3 ]" 1
1056 1 111 GLN HB3 1 112 ALA H . . 4.180 2.862 2.660 3.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
1057 1 120 PHE H 1 120 PHE QD . . 4.330 2.270 1.810 2.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
1058 1 51 PHE H 1 51 PHE QD . . 3.830 2.430 1.908 3.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
1059 1 119 VAL H 1 120 PHE QD . . 4.410 4.020 3.804 4.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
1060 1 51 PHE QD 1 52 GLY H . . 4.150 4.218 4.107 4.375 0.225 9 0 "[ . 1 . 2 . 3 ]" 1
1061 1 117 TYR HA 1 120 PHE QD . . 4.420 3.816 3.228 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
1062 1 39 TRP HA 1 120 PHE QD . . 3.650 3.662 3.384 3.763 0.113 2 0 "[ . 1 . 2 . 3 ]" 1
1063 1 120 PHE HA 1 120 PHE QD . . 3.340 3.053 2.816 3.133 . 0 0 "[ . 1 . 2 . 3 ]" 1
1064 1 47 SER HA 1 51 PHE QD . . 3.500 3.044 2.409 3.523 0.023 15 0 "[ . 1 . 2 . 3 ]" 1
1065 1 51 PHE HA 1 51 PHE QD . . 3.290 2.781 2.164 3.158 . 0 0 "[ . 1 . 2 . 3 ]" 1
1066 1 35 TRP H 1 35 TRP HD1 . . 4.170 3.243 2.869 3.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
1067 1 96 TRP H 1 96 TRP HD1 . . 3.790 2.808 2.691 2.931 . 0 0 "[ . 1 . 2 . 3 ]" 1
1068 1 95 GLU H 1 96 TRP HD1 . . 4.250 4.299 4.189 4.387 0.137 25 0 "[ . 1 . 2 . 3 ]" 1
1069 1 34 LEU HA 1 35 TRP HD1 . . 4.290 4.256 4.067 4.539 0.249 32 0 "[ . 1 . 2 . 3 ]" 1
1070 1 35 TRP HA 1 35 TRP HD1 . . 3.160 2.172 2.043 2.292 . 0 0 "[ . 1 . 2 . 3 ]" 1
1071 1 92 GLU HA 1 96 TRP HD1 . . 4.140 3.998 3.886 4.154 0.014 25 0 "[ . 1 . 2 . 3 ]" 1
1072 1 93 ALA HA 1 96 TRP HD1 . . 3.500 2.263 2.006 2.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
1073 1 92 GLU HG2 1 96 TRP HD1 . . 3.570 2.457 2.134 3.594 0.024 25 0 "[ . 1 . 2 . 3 ]" 1
1074 1 92 GLU HG3 1 96 TRP HD1 . . 4.420 3.026 2.449 3.475 . 0 0 "[ . 1 . 2 . 3 ]" 1
1075 1 114 ASP HB3 1 115 LEU H . . 4.280 2.500 2.347 2.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
1076 1 114 ASP HB2 1 115 LEU H . . 4.520 3.200 2.872 3.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
1077 1 115 LEU H 1 115 LEU HB3 . . 4.060 3.499 3.450 3.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
1078 1 115 LEU H 1 115 LEU HB2 . . 4.170 2.288 2.124 2.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
1079 1 93 ALA MB 1 96 TRP HD1 . . 4.350 3.895 3.691 4.117 . 0 0 "[ . 1 . 2 . 3 ]" 1
1080 1 115 LEU H 1 116 TYR H . . 3.880 2.837 2.757 2.879 . 0 0 "[ . 1 . 2 . 3 ]" 1
1081 1 39 TRP HZ2 1 90 LEU QD . . 3.430 2.940 2.659 3.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
1082 1 36 HIS HD2 1 123 ILE MD . . 3.860 3.658 3.377 3.926 0.066 26 0 "[ . 1 . 2 . 3 ]" 1
1083 1 36 HIS HA 1 36 HIS HD2 . . 3.360 3.011 2.518 3.405 0.045 14 0 "[ . 1 . 2 . 3 ]" 1
1084 1 39 TRP HZ2 1 86 TYR QD . . 4.160 3.824 3.377 4.332 0.172 31 0 "[ . 1 . 2 . 3 ]" 1
1085 1 47 SER H 1 113 TRP HZ2 . . 3.670 3.727 3.546 3.854 0.184 10 0 "[ . 1 . 2 . 3 ]" 1
1086 1 108 ASP H 1 109 LEU H . . 3.280 2.571 2.471 2.641 . 0 0 "[ . 1 . 2 . 3 ]" 1
1087 1 50 TYR QD 1 51 PHE QD . . 4.340 2.622 1.984 3.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
1088 1 106 VAL HA 1 109 LEU H . . 3.890 3.009 2.876 3.259 . 0 0 "[ . 1 . 2 . 3 ]" 1
1089 1 47 SER HA 1 113 TRP HZ2 . . 3.670 2.860 2.179 3.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
1090 1 109 LEU H 1 109 LEU HB3 . . 3.950 2.446 2.075 3.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
1091 1 35 TRP HH2 1 70 MET HA . . 3.820 3.627 3.193 3.882 0.062 27 0 "[ . 1 . 2 . 3 ]" 1
1092 1 35 TRP HH2 1 74 PRO HA . . 3.290 2.620 2.000 3.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
1093 1 50 TYR QD 1 51 PHE HZ . . 4.010 3.954 3.526 4.120 0.110 30 0 "[ . 1 . 2 . 3 ]" 1
1094 1 66 LEU H 1 66 LEU HB2 . . 3.960 2.195 1.989 2.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
1095 1 66 LEU H 1 66 LEU HG . . 3.870 3.321 2.349 4.338 0.468 12 0 "[ . 1 . 2 . 3 ]" 1
1096 1 65 PRO HB3 1 66 LEU H . . 4.580 4.021 4.001 4.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
1097 1 65 PRO HB2 1 66 LEU H . . 4.650 2.932 2.900 3.052 . 0 0 "[ . 1 . 2 . 3 ]" 1
1098 1 65 PRO QG 1 66 LEU H . . 4.740 2.394 2.369 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
1099 1 65 PRO HD2 1 66 LEU H . . 4.050 2.336 2.283 2.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
1100 1 67 HIS HA 1 67 HIS HD2 . . 3.560 2.321 2.152 2.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
1101 1 117 TYR HA 1 117 TYR QE . . 4.320 4.395 4.340 4.444 0.124 31 0 "[ . 1 . 2 . 3 ]" 1
1102 1 39 TRP H 1 39 TRP HD1 . . 3.990 2.247 1.819 2.391 . 0 0 "[ . 1 . 2 . 3 ]" 1
1103 1 113 TRP H 1 113 TRP HD1 . . 4.010 3.874 3.564 4.085 0.075 25 0 "[ . 1 . 2 . 3 ]" 1
1104 1 50 TYR HA 1 50 TYR QE . . 5.020 4.727 4.479 4.959 . 0 0 "[ . 1 . 2 . 3 ]" 1
1105 1 39 TRP HD1 1 70 MET ME . . 4.100 3.001 2.695 3.273 . 0 0 "[ . 1 . 2 . 3 ]" 1
1106 1 38 MET ME 1 39 TRP HD1 . . 3.820 3.217 2.878 3.856 0.036 12 0 "[ . 1 . 2 . 3 ]" 1
1107 1 43 LEU QD 1 113 TRP HZ3 . . 4.030 2.028 1.769 2.478 . 0 0 "[ . 1 . 2 . 3 ]" 1
1108 1 110 THR HA 1 113 TRP HD1 . . 4.340 4.102 3.600 4.389 0.049 21 0 "[ . 1 . 2 . 3 ]" 1
1109 1 39 TRP HB3 1 120 PHE QE . . 4.210 2.842 2.479 3.330 . 0 0 "[ . 1 . 2 . 3 ]" 1
1110 1 46 ALA H 1 46 ALA MB . . 3.460 2.115 1.949 2.158 . 0 0 "[ . 1 . 2 . 3 ]" 1
1111 1 106 VAL H 1 106 VAL MG2 . . 3.760 3.133 2.283 3.692 . 0 0 "[ . 1 . 2 . 3 ]" 1
1112 1 106 VAL H 1 106 VAL HB . . 3.750 2.145 2.012 2.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
1113 1 96 TRP HE1 1 115 LEU QD . . 3.730 2.902 2.438 3.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
1114 1 43 LEU H 1 43 LEU QD . . 4.080 2.900 2.111 3.441 . 0 0 "[ . 1 . 2 . 3 ]" 1
1115 1 90 LEU H 1 90 LEU QD . . 4.120 2.543 1.766 3.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
1116 1 50 TYR QD 1 51 PHE QE . . 3.300 2.774 1.965 3.313 0.013 13 0 "[ . 1 . 2 . 3 ]" 1
1117 1 50 TYR QE 1 51 PHE QE . . 3.640 3.134 2.417 3.667 0.027 18 0 "[ . 1 . 2 . 3 ]" 1
1118 1 50 TYR QE 1 51 PHE QD . . 4.490 4.014 3.088 4.505 0.015 27 0 "[ . 1 . 2 . 3 ]" 1
1119 1 72 ARG H 1 72 ARG HG2 . . 3.870 1.974 1.886 2.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
1120 1 59 MET ME 1 113 TRP HZ2 . . 4.270 4.211 3.944 4.469 0.199 13 0 "[ . 1 . 2 . 3 ]" 1
1121 1 59 MET ME 1 113 TRP HD1 . . 4.490 3.176 2.574 3.763 . 0 0 "[ . 1 . 2 . 3 ]" 1
1122 1 99 LYS H 1 99 LYS HG2 . . 4.380 4.177 3.571 4.405 0.025 8 0 "[ . 1 . 2 . 3 ]" 1
1123 1 41 GLU H 1 41 GLU QB . . 3.470 2.312 2.029 2.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
1124 1 65 PRO HB2 1 68 ALA MB . . 4.500 4.434 4.309 4.501 0.001 17 0 "[ . 1 . 2 . 3 ]" 1
1125 1 38 MET ME 1 39 TRP HE1 . . 4.310 2.429 2.109 3.060 . 0 0 "[ . 1 . 2 . 3 ]" 1
1126 1 66 LEU H 1 66 LEU QD . . 4.170 2.656 2.045 3.283 . 0 0 "[ . 1 . 2 . 3 ]" 1
1127 1 50 TYR HA 1 50 TYR QD . . 3.800 2.635 2.218 3.023 . 0 0 "[ . 1 . 2 . 3 ]" 1
1128 1 50 TYR QD 1 56 VAL HA . . 4.140 3.182 2.310 4.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
1129 1 50 TYR H 1 50 TYR QD . . 4.320 4.060 4.033 4.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
1130 1 47 SER HA 1 51 PHE QE . . 4.300 3.669 3.212 4.120 . 0 0 "[ . 1 . 2 . 3 ]" 1
1131 1 83 ASN H 1 83 ASN HB2 . . 3.920 2.277 2.007 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
1132 1 46 ALA H 1 62 VAL QG . . 4.140 2.420 2.324 2.601 . 0 0 "[ . 1 . 2 . 3 ]" 1
1133 1 101 MET H 1 101 MET HB2 . . 3.330 2.270 2.166 2.383 . 0 0 "[ . 1 . 2 . 3 ]" 1
1134 1 101 MET H 1 102 LYS QB . . 4.600 4.422 4.255 4.535 . 0 0 "[ . 1 . 2 . 3 ]" 1
1135 1 110 THR H 1 110 THR MG . . 3.910 3.666 3.646 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
1136 1 80 THR MG 1 81 SER H . . 3.780 3.535 3.064 3.886 0.106 21 0 "[ . 1 . 2 . 3 ]" 1
1137 1 56 VAL H 1 56 VAL QG . . 3.420 2.212 1.830 2.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
1138 1 31 VAL H 1 31 VAL QG . . 3.610 2.123 1.754 3.112 . 0 0 "[ . 1 . 2 . 3 ]" 1
1139 1 93 ALA H 1 115 LEU QD . . 3.900 2.286 1.943 2.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
1140 1 33 ILE H 1 33 ILE MG . . 3.870 3.015 2.211 3.798 . 0 0 "[ . 1 . 2 . 3 ]" 1
1141 1 29 ILE MG 1 30 ARG H . . 3.750 2.372 1.789 3.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
1142 1 93 ALA H 1 93 ALA MB . . 3.370 2.050 1.932 2.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
1143 1 93 ALA MB 1 96 TRP H . . 4.800 4.461 4.341 4.579 . 0 0 "[ . 1 . 2 . 3 ]" 1
1144 1 93 ALA MB 1 94 GLN H . . 3.820 2.626 2.533 2.710 . 0 0 "[ . 1 . 2 . 3 ]" 1
1145 1 85 ALA MB 1 86 TYR H . . 3.630 2.569 2.323 2.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
1146 1 119 VAL H 1 119 VAL QG . . 3.540 2.025 1.750 2.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
1147 1 85 ALA H 1 85 ALA MB . . 3.100 2.091 1.956 2.174 . 0 0 "[ . 1 . 2 . 3 ]" 1
1148 1 36 HIS HD2 1 123 ILE MG . . 3.800 2.570 1.979 3.186 . 0 0 "[ . 1 . 2 . 3 ]" 1
1149 1 62 VAL H 1 62 VAL QG . . 3.380 2.671 2.557 2.841 . 0 0 "[ . 1 . 2 . 3 ]" 1
1150 1 56 VAL QG 1 60 PHE HZ . . 4.130 3.213 2.526 4.001 . 0 0 "[ . 1 . 2 . 3 ]" 1
1151 1 106 VAL H 1 109 LEU H . . 4.540 4.617 4.483 4.726 0.186 23 0 "[ . 1 . 2 . 3 ]" 1
1152 1 68 ALA H 1 68 ALA MB . . 3.230 2.133 2.014 2.164 . 0 0 "[ . 1 . 2 . 3 ]" 1
1153 1 44 GLU HA 1 48 ARG H . . 4.300 3.990 3.634 4.288 . 0 0 "[ . 1 . 2 . 3 ]" 1
1154 1 92 GLU HB2 1 93 ALA H . . 3.790 3.801 3.682 4.110 0.320 25 0 "[ . 1 . 2 . 3 ]" 1
1155 1 67 HIS QB 1 68 ALA H . . 3.650 2.486 2.428 2.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
1156 1 118 HIS H 1 118 HIS HB3 . . 3.650 3.071 2.537 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
1157 1 90 LEU H 1 90 LEU HG . . 3.800 2.777 2.201 3.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
1158 1 98 ARG QB 1 99 LYS H . . 4.000 3.049 2.567 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
1159 1 118 HIS HB2 1 119 VAL H . . 4.270 3.286 2.776 3.867 . 0 0 "[ . 1 . 2 . 3 ]" 1
1160 1 113 TRP HB3 1 114 ASP H . . 3.960 3.268 2.975 3.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
1161 1 115 LEU H 1 115 LEU HG . . 3.860 3.006 1.967 3.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
1162 1 34 LEU QD 1 35 TRP H . . 4.280 2.247 1.706 3.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
1163 1 56 VAL QG 1 57 LYS H . . 3.900 3.085 2.006 3.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
1164 1 110 THR H 1 112 ALA H . . 4.380 4.286 4.100 4.403 0.023 20 0 "[ . 1 . 2 . 3 ]" 1
1165 1 112 ALA H 1 112 ALA MB . . 3.340 2.044 1.935 2.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
1166 1 111 GLN HB2 1 112 ALA H . . 3.510 3.162 2.896 3.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
1167 1 62 VAL H 1 62 VAL HB . . 3.360 2.186 2.068 2.259 . 0 0 "[ . 1 . 2 . 3 ]" 1
1168 1 71 GLU QB 1 72 ARG H . . 3.730 2.113 2.088 2.141 . 0 0 "[ . 1 . 2 . 3 ]" 1
1169 1 119 VAL H 1 119 VAL HB . . 3.800 3.099 2.076 3.546 . 0 0 "[ . 1 . 2 . 3 ]" 1
1170 1 75 GLN HB3 1 79 GLU H . . 3.800 3.642 3.252 3.827 0.027 7 0 "[ . 1 . 2 . 3 ]" 1
1171 1 108 ASP H 1 108 ASP HB3 . . 3.930 3.089 2.035 3.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
1172 1 96 TRP HB3 1 97 CYS H . . 3.910 3.919 3.689 4.092 0.182 9 0 "[ . 1 . 2 . 3 ]" 1
1173 1 98 ARG H 1 99 LYS H . . 3.590 2.684 2.568 2.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
1174 1 95 GLU HA 1 98 ARG H . . 4.120 3.435 3.241 3.586 . 0 0 "[ . 1 . 2 . 3 ]" 1
1175 1 64 GLU H 1 65 PRO QG . . 4.600 4.380 4.296 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
1176 1 64 GLU H 1 65 PRO HD2 . . 3.590 2.623 2.536 2.665 . 0 0 "[ . 1 . 2 . 3 ]" 1
1177 1 117 TYR HB2 1 118 HIS H . . 4.200 3.580 3.476 3.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
1178 1 63 LEU H 1 63 LEU QD . . 4.000 1.958 1.894 2.168 . 0 0 "[ . 1 . 2 . 3 ]" 1
1179 1 111 GLN H 1 111 GLN HG3 . . 3.880 3.771 3.378 4.223 0.343 21 0 "[ . 1 . 2 . 3 ]" 1
1180 1 105 ASN H 1 105 ASN HB2 . . 3.760 2.860 2.276 3.259 . 0 0 "[ . 1 . 2 . 3 ]" 1
1181 1 76 THR MG 1 77 LEU H . . 4.160 3.494 2.929 3.875 . 0 0 "[ . 1 . 2 . 3 ]" 1
1182 1 109 LEU H 1 109 LEU HB2 . . 3.910 2.489 1.978 2.922 . 0 0 "[ . 1 . 2 . 3 ]" 1
1183 1 109 LEU H 1 109 LEU HG . . 4.260 4.186 3.700 4.374 0.114 7 0 "[ . 1 . 2 . 3 ]" 1
1184 1 99 LYS H 1 99 LYS QB . . 3.380 2.165 1.974 2.326 . 0 0 "[ . 1 . 2 . 3 ]" 1
1185 1 97 CYS H 1 112 ALA MB . . 3.580 3.174 2.694 3.442 . 0 0 "[ . 1 . 2 . 3 ]" 1
1186 1 96 TRP H 1 112 ALA MB . . 4.190 3.692 3.361 4.090 . 0 0 "[ . 1 . 2 . 3 ]" 1
1187 1 46 ALA MB 1 47 SER H . . 3.570 2.547 2.433 2.714 . 0 0 "[ . 1 . 2 . 3 ]" 1
1188 1 112 ALA MB 1 113 TRP H . . 3.710 2.573 2.390 2.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
1189 1 60 PHE H 1 61 GLU H . . 3.810 2.718 2.525 2.894 . 0 0 "[ . 1 . 2 . 3 ]" 1
1190 1 31 VAL H 1 31 VAL HB . . 3.550 2.678 2.179 3.594 0.044 23 0 "[ . 1 . 2 . 3 ]" 1
1191 1 60 PHE QB 1 61 GLU H . . 3.670 2.547 2.403 2.693 . 0 0 "[ . 1 . 2 . 3 ]" 1
1192 1 81 SER H 1 82 PHE H . . 3.980 2.563 2.451 2.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
1193 1 68 ALA MB 1 69 MET H . . 3.520 2.470 2.387 2.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
1194 1 63 LEU H 1 65 PRO HD2 . . 4.300 3.246 3.188 3.333 . 0 0 "[ . 1 . 2 . 3 ]" 1
1195 1 121 ARG HB2 1 122 ARG H . . 4.150 4.035 2.959 4.244 0.094 14 0 "[ . 1 . 2 . 3 ]" 1
1196 1 60 PHE QD 1 101 MET ME . . 4.020 2.102 1.759 2.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
1197 1 63 LEU H 1 63 LEU HG . . 3.860 3.133 1.956 4.012 0.152 17 0 "[ . 1 . 2 . 3 ]" 1
1198 1 46 ALA MB 1 63 LEU H . . 4.210 3.958 3.753 4.170 . 0 0 "[ . 1 . 2 . 3 ]" 1
1199 1 49 LEU QD 1 59 MET H . . 3.990 2.190 1.725 2.819 . 0 0 "[ . 1 . 2 . 3 ]" 1
1200 1 100 TYR QD 1 101 MET HA . . 3.280 2.823 2.292 3.244 . 0 0 "[ . 1 . 2 . 3 ]" 1
1201 1 43 LEU HG 1 113 TRP HH2 . . 3.710 2.866 1.944 4.033 0.323 16 0 "[ . 1 . 2 . 3 ]" 1
1202 1 35 TRP HH2 1 74 PRO HB3 . . 4.360 4.113 3.191 4.393 0.033 4 0 "[ . 1 . 2 . 3 ]" 1
1203 1 72 ARG H 1 72 ARG QD . . 4.290 3.626 3.259 4.023 . 0 0 "[ . 1 . 2 . 3 ]" 1
1204 1 101 MET HA 1 104 GLY H . . 4.800 4.823 3.573 4.951 0.151 18 0 "[ . 1 . 2 . 3 ]" 1
1205 1 123 ILE H 1 123 ILE HB . . 3.870 3.526 3.438 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
1206 1 123 ILE H 1 123 ILE MG . . 4.170 2.410 2.218 2.879 . 0 0 "[ . 1 . 2 . 3 ]" 1
1207 1 69 MET H 1 69 MET QB . . 3.180 1.960 1.955 1.964 . 0 0 "[ . 1 . 2 . 3 ]" 1
1208 1 88 ARG HB2 1 89 ASP H . . 3.840 3.546 2.971 3.924 0.084 13 0 "[ . 1 . 2 . 3 ]" 1
1209 1 40 HIS H 1 40 HIS HD2 . . 4.460 3.914 2.215 4.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
1210 1 35 TRP HB2 1 36 HIS H . . 3.810 2.765 2.675 2.930 . 0 0 "[ . 1 . 2 . 3 ]" 1
1211 1 117 TYR HA 1 120 PHE QB . . 3.990 2.285 1.942 2.765 . 0 0 "[ . 1 . 2 . 3 ]" 1
1212 1 111 GLN HA 1 114 ASP HB3 . . 4.270 3.318 2.997 3.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
1213 1 110 THR MG 1 111 GLN HA . . 4.410 3.526 3.338 3.775 . 0 0 "[ . 1 . 2 . 3 ]" 1
1214 1 110 THR H 1 110 THR HB . . 3.650 2.282 2.187 2.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
1215 1 63 LEU HB2 1 64 GLU HA . . 4.500 4.066 3.852 4.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
1216 1 120 PHE HA 1 123 ILE HG13 . . 4.260 3.167 2.206 3.520 . 0 0 "[ . 1 . 2 . 3 ]" 1
1217 1 57 LYS QG 1 58 GLY HA3 . . 4.000 3.796 3.555 3.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
1218 1 76 THR HA 1 76 THR MG . . 3.260 2.829 2.195 3.246 . 0 0 "[ . 1 . 2 . 3 ]" 1
1219 1 106 VAL H 1 106 VAL MG1 . . 3.800 2.985 2.201 3.666 . 0 0 "[ . 1 . 2 . 3 ]" 1
1220 1 100 TYR H 1 101 MET HB2 . . 4.500 4.490 4.368 4.550 0.050 7 0 "[ . 1 . 2 . 3 ]" 1
1221 1 77 LEU HA 1 80 THR H . . 3.940 3.155 2.893 3.895 . 0 0 "[ . 1 . 2 . 3 ]" 1
1222 1 93 ALA MB 1 112 ALA HA . . 3.600 2.603 2.064 3.157 . 0 0 "[ . 1 . 2 . 3 ]" 1
1223 1 95 GLU HA 1 96 TRP H . . 3.590 3.583 3.563 3.597 0.007 18 0 "[ . 1 . 2 . 3 ]" 1
1224 1 46 ALA HA 1 49 LEU QD . . 3.530 1.959 1.784 2.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
1225 1 102 LYS QD 1 103 SER HA . . 4.300 4.120 3.414 4.524 0.224 19 0 "[ . 1 . 2 . 3 ]" 1
1226 1 44 GLU HA 1 44 GLU HG3 . . 3.400 3.300 2.521 3.602 0.202 8 0 "[ . 1 . 2 . 3 ]" 1
1227 1 49 LEU HA 1 49 LEU HG . . 4.030 3.206 2.599 3.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
1228 1 41 GLU HA 1 44 GLU HG3 . . 4.050 3.244 2.709 4.380 0.330 18 0 "[ . 1 . 2 . 3 ]" 1
1229 1 46 ALA MB 1 59 MET HA . . 3.260 1.877 1.795 1.987 . 0 0 "[ . 1 . 2 . 3 ]" 1
1230 1 72 ARG H 1 72 ARG QB . . 3.180 2.497 2.476 2.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
1231 1 68 ALA MB 1 69 MET HA . . 4.400 3.765 3.697 3.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
1232 1 68 ALA HA 1 71 GLU QG . . 3.980 2.042 1.966 2.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
1233 1 63 LEU HB2 1 65 PRO HD2 . . 4.800 4.532 4.447 4.652 . 0 0 "[ . 1 . 2 . 3 ]" 1
1234 1 86 TYR QE 1 123 ILE MD . . 4.330 4.360 3.752 4.639 0.309 5 0 "[ . 1 . 2 . 3 ]" 1
1235 1 91 MET QB 1 92 GLU HA . . 4.280 3.788 3.650 4.455 0.175 11 0 "[ . 1 . 2 . 3 ]" 1
1236 1 86 TYR QE 1 119 VAL HB . . 4.450 3.649 2.696 4.690 0.240 26 0 "[ . 1 . 2 . 3 ]" 1
1237 1 67 HIS QB 1 68 ALA MB . . 4.300 3.826 3.778 3.868 . 0 0 "[ . 1 . 2 . 3 ]" 1
1238 1 117 TYR QD 1 118 HIS HA . . 4.160 4.224 4.165 4.365 0.205 20 0 "[ . 1 . 2 . 3 ]" 1
1239 1 56 VAL QG 1 109 LEU HG . . 4.330 3.331 2.583 4.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
1240 1 100 TYR H 1 100 TYR HB2 . . 3.880 2.731 2.436 2.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
1241 1 96 TRP HB3 1 112 ALA MB . . 3.540 2.434 1.956 2.915 . 0 0 "[ . 1 . 2 . 3 ]" 1
1242 1 95 GLU HA 1 98 ARG QB . . 3.950 3.241 2.478 4.005 0.055 12 0 "[ . 1 . 2 . 3 ]" 1
1243 1 95 GLU HA 1 98 ARG QD . . 3.960 2.278 1.745 3.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
1244 1 39 TRP HB2 1 123 ILE HB . . 4.040 4.189 4.076 4.284 0.244 17 0 "[ . 1 . 2 . 3 ]" 1
1245 1 90 LEU HB2 1 91 MET H . . 3.980 2.826 2.625 2.997 . 0 0 "[ . 1 . 2 . 3 ]" 1
1246 1 70 MET H 1 70 MET HG3 . . 4.290 2.827 2.202 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
1247 1 64 GLU HG2 1 65 PRO HD3 . . 4.430 4.423 4.168 4.543 0.113 22 0 "[ . 1 . 2 . 3 ]" 1
1248 1 69 MET QB 1 70 MET H . . 3.640 3.151 3.106 3.220 . 0 0 "[ . 1 . 2 . 3 ]" 1
1249 1 70 MET H 1 71 GLU QG . . 3.900 3.723 3.591 3.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
1250 1 63 LEU QD 1 65 PRO HD2 . . 4.020 4.059 3.952 4.200 0.180 27 0 "[ . 1 . 2 . 3 ]" 1
1251 1 56 VAL HA 1 109 LEU QD . . 4.470 4.014 3.778 4.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
1252 1 109 LEU HG 1 113 TRP HD1 . . 4.500 3.676 2.469 4.626 0.126 32 0 "[ . 1 . 2 . 3 ]" 1
1253 1 96 TRP HD1 1 112 ALA HA . . 4.100 3.659 3.204 4.116 0.016 31 0 "[ . 1 . 2 . 3 ]" 1
1254 1 112 ALA HA 1 116 TYR QD . . 4.800 4.720 3.792 4.870 0.070 18 0 "[ . 1 . 2 . 3 ]" 1
1255 1 100 TYR QD 1 101 MET HG3 . . 4.160 2.822 2.257 3.721 . 0 0 "[ . 1 . 2 . 3 ]" 1
1256 1 105 ASN HB3 1 109 LEU H . . 5.000 4.257 3.478 5.050 0.050 15 0 "[ . 1 . 2 . 3 ]" 1
1257 1 48 ARG H 1 49 LEU HG . . 4.490 4.473 4.094 4.686 0.196 29 0 "[ . 1 . 2 . 3 ]" 1
1258 1 49 LEU QD 1 58 GLY HA2 . . 4.300 2.703 2.225 3.103 . 0 0 "[ . 1 . 2 . 3 ]" 1
1259 1 43 LEU HB2 1 120 PHE QD . . 3.820 2.840 2.033 3.768 . 0 0 "[ . 1 . 2 . 3 ]" 1
1260 1 89 ASP HB2 1 119 VAL QG . . 4.150 2.233 1.827 2.874 . 0 0 "[ . 1 . 2 . 3 ]" 1
1261 1 47 SER HB2 1 51 PHE QD . . 3.970 3.214 1.958 4.746 0.776 1 1 "[+ . 1 . 2 . 3 ]" 1
1262 1 59 MET H 1 59 MET ME . . 4.140 3.747 3.478 4.002 . 0 0 "[ . 1 . 2 . 3 ]" 1
1263 1 50 TYR QE 1 51 PHE HZ . . 3.990 3.673 2.833 4.055 0.065 15 0 "[ . 1 . 2 . 3 ]" 1
1264 1 125 LYS HB3 1 126 GLN H . . 4.280 3.525 1.937 4.471 0.191 1 0 "[ . 1 . 2 . 3 ]" 1
1265 1 55 ASN HA 1 56 VAL QG . . 4.270 3.853 3.177 4.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
1266 1 105 ASN HA 1 106 VAL HB . . 4.350 4.382 4.316 4.484 0.134 20 0 "[ . 1 . 2 . 3 ]" 1
1267 1 75 GLN H 1 75 GLN HG2 . . 4.570 4.672 4.124 5.246 0.676 12 4 "[ . * - + . *2 . 3 ]" 1
1268 1 117 TYR H 1 119 VAL QG . . 5.500 4.497 4.150 5.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
1269 1 98 ARG H 1 112 ALA MB . . 5.500 5.326 4.855 5.540 0.040 19 0 "[ . 1 . 2 . 3 ]" 1
1270 1 96 TRP HE1 1 111 GLN QB . . 4.800 4.702 4.472 4.868 0.068 23 0 "[ . 1 . 2 . 3 ]" 1
1271 1 94 GLN H 1 95 GLU HA . . 5.500 5.213 5.120 5.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
1272 1 81 SER H 1 82 PHE HA . . 5.500 5.120 5.020 5.344 . 0 0 "[ . 1 . 2 . 3 ]" 1
1273 1 45 GLU H 1 48 ARG QB . . 5.500 4.451 4.132 4.831 . 0 0 "[ . 1 . 2 . 3 ]" 1
1274 1 67 HIS HA 1 70 MET H . . 3.500 3.341 3.295 3.370 . 0 0 "[ . 1 . 2 . 3 ]" 1
1275 1 65 PRO HA 1 69 MET H . . 3.500 3.462 3.360 3.534 0.034 19 0 "[ . 1 . 2 . 3 ]" 1
1276 1 39 TRP HE1 1 90 LEU QD . . 5.600 5.082 4.625 5.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
1277 1 59 MET QG 1 61 GLU H . . 5.500 5.090 4.111 5.648 0.148 5 0 "[ . 1 . 2 . 3 ]" 1
1278 1 61 GLU H 1 62 VAL HB . . 5.800 4.388 4.126 4.505 . 0 0 "[ . 1 . 2 . 3 ]" 1
1279 1 58 GLY H 1 61 GLU QB . . 5.500 5.056 4.486 5.564 0.064 10 0 "[ . 1 . 2 . 3 ]" 1
1280 1 57 LYS H 1 58 GLY HA2 . . 5.500 5.290 5.076 5.427 . 0 0 "[ . 1 . 2 . 3 ]" 1
1281 1 50 TYR H 1 59 MET QB . . 5.500 4.049 3.758 4.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
1282 1 50 TYR HB2 1 113 TRP HE1 . . 5.000 3.310 2.525 3.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
1283 1 38 MET H 1 41 GLU HG2 . . 6.000 5.101 4.362 6.855 0.855 15 2 "[ . 1 + 2 - . 3 ]" 1
1284 1 32 PRO HB2 1 34 LEU H . . 6.000 5.699 4.905 6.177 0.177 23 0 "[ . 1 . 2 . 3 ]" 1
1285 1 87 GLY HA2 1 90 LEU H . . 6.000 4.076 3.528 4.389 . 0 0 "[ . 1 . 2 . 3 ]" 1
1286 1 114 ASP HB2 1 116 TYR H . . 6.500 5.536 5.334 5.801 . 0 0 "[ . 1 . 2 . 3 ]" 1
1287 1 94 GLN H 1 115 LEU HB3 . . 6.500 5.766 5.456 6.092 . 0 0 "[ . 1 . 2 . 3 ]" 1
1288 1 40 HIS H 1 43 LEU H . . 5.000 4.857 4.710 5.014 0.014 25 0 "[ . 1 . 2 . 3 ]" 1
1289 1 43 LEU H 1 47 SER H . . 6.000 5.407 5.087 5.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
1290 1 38 MET H 1 70 MET ME . . 4.500 4.194 3.944 4.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
1291 1 59 MET H 1 62 VAL QG . . 6.000 4.087 3.812 4.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
1292 1 61 GLU HA 1 64 GLU H . . 4.000 3.534 3.486 3.570 . 0 0 "[ . 1 . 2 . 3 ]" 1
1293 1 37 GLU HA 1 41 GLU H . . 4.500 3.788 3.608 3.961 . 0 0 "[ . 1 . 2 . 3 ]" 1
1294 1 111 GLN HB2 1 114 ASP H . . 6.000 5.409 5.291 5.533 . 0 0 "[ . 1 . 2 . 3 ]" 1
1295 1 46 ALA H 1 48 ARG QB . . 5.500 4.764 4.414 4.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
1296 1 106 VAL MG1 1 109 LEU QD . . 6.500 4.314 3.397 4.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
1297 1 63 LEU QD 1 112 ALA MB . . 6.000 5.020 4.505 5.497 . 0 0 "[ . 1 . 2 . 3 ]" 1
1298 1 56 VAL QG 1 101 MET ME . . 4.000 3.327 1.920 3.953 . 0 0 "[ . 1 . 2 . 3 ]" 1
1299 1 70 MET ME 1 123 ILE MD . . 6.500 5.328 4.949 5.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
1300 1 66 LEU HB2 1 70 MET ME . . 6.500 5.845 5.463 6.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
1301 1 49 LEU QD 1 62 VAL QG . . 3.500 2.185 1.905 3.022 . 0 0 "[ . 1 . 2 . 3 ]" 1
1302 1 43 LEU QD 1 90 LEU QD . . 7.000 4.793 4.440 5.089 . 0 0 "[ . 1 . 2 . 3 ]" 1
1303 1 109 LEU HB3 1 112 ALA MB . . 5.500 5.202 4.947 5.530 0.030 18 0 "[ . 1 . 2 . 3 ]" 1
1304 1 43 LEU QD 1 63 LEU HB2 . . 5.500 5.376 4.899 5.589 0.089 15 0 "[ . 1 . 2 . 3 ]" 1
1305 1 66 LEU QD 1 70 MET ME . . 4.500 4.089 3.613 4.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
1306 1 92 GLU HB2 1 115 LEU QD . . 6.000 3.269 2.944 3.913 . 0 0 "[ . 1 . 2 . 3 ]" 1
1307 1 68 ALA MB 1 69 MET QG . . 5.500 5.090 5.017 5.130 . 0 0 "[ . 1 . 2 . 3 ]" 1
1308 1 68 ALA MB 1 71 GLU QB . . 4.500 4.003 3.828 4.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
1309 1 49 LEU QD 1 53 GLU HG2 . . 6.000 4.790 2.790 6.094 0.094 27 0 "[ . 1 . 2 . 3 ]" 1
1310 1 49 LEU QD 1 53 GLU HG3 . . 6.000 5.052 3.352 5.983 . 0 0 "[ . 1 . 2 . 3 ]" 1
1311 1 66 LEU QD 1 69 MET QG . . 5.500 3.989 3.618 4.338 . 0 0 "[ . 1 . 2 . 3 ]" 1
1312 1 41 GLU HG2 1 66 LEU QD . . 6.500 4.648 3.096 6.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
1313 1 43 LEU QD 1 117 TYR HB2 . . 5.000 4.176 3.385 4.755 . 0 0 "[ . 1 . 2 . 3 ]" 1
1314 1 38 MET ME 1 39 TRP HB2 . . 5.500 4.848 4.590 5.251 . 0 0 "[ . 1 . 2 . 3 ]" 1
1315 1 42 GLY HA3 1 63 LEU QD . . 4.200 3.665 3.060 4.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
1316 1 36 HIS HB3 1 37 GLU HA . . 6.000 4.931 4.625 5.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
1317 1 66 LEU HA 1 70 MET ME . . 5.000 4.631 4.258 5.022 0.022 20 0 "[ . 1 . 2 . 3 ]" 1
1318 1 70 MET ME 1 82 PHE HB3 . . 7.000 6.401 5.627 7.093 0.093 14 0 "[ . 1 . 2 . 3 ]" 1
1319 1 95 GLU HA 1 112 ALA MB . . 6.500 6.333 6.014 6.555 0.055 8 0 "[ . 1 . 2 . 3 ]" 1
1320 1 90 LEU HA 1 112 ALA MB . . 6.500 6.363 6.035 6.608 0.108 12 0 "[ . 1 . 2 . 3 ]" 1
1321 1 38 MET HA 1 70 MET ME . . 5.500 5.273 4.961 5.501 0.001 21 0 "[ . 1 . 2 . 3 ]" 1
1322 1 88 ARG HA 1 91 MET ME . . 5.000 4.335 2.492 5.047 0.047 13 0 "[ . 1 . 2 . 3 ]" 1
1323 1 38 MET ME 1 70 MET HA . . 6.000 4.624 4.253 4.987 . 0 0 "[ . 1 . 2 . 3 ]" 1
1324 1 39 TRP HA 1 66 LEU QD . . 4.000 3.700 3.226 4.078 0.078 6 0 "[ . 1 . 2 . 3 ]" 1
1325 1 65 PRO HA 1 69 MET QB . . 4.500 4.237 4.145 4.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
1326 1 50 TYR QD 1 59 MET ME . . 4.500 4.035 3.305 4.495 . 0 0 "[ . 1 . 2 . 3 ]" 1
1327 1 86 TYR QE 1 90 LEU QD . . 6.000 4.934 4.517 5.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
1328 1 39 TRP HD1 1 69 MET ME . . 5.000 4.688 4.435 5.046 0.046 31 0 "[ . 1 . 2 . 3 ]" 1
1329 1 69 MET ME 1 120 PHE QE . . 7.200 6.834 6.576 7.318 0.118 29 0 "[ . 1 . 2 . 3 ]" 1
1330 1 43 LEU HG 1 120 PHE HZ . . 6.500 4.764 2.848 5.882 . 0 0 "[ . 1 . 2 . 3 ]" 1
1331 1 38 MET ME 1 39 TRP HH2 . . 5.500 4.370 3.569 5.079 . 0 0 "[ . 1 . 2 . 3 ]" 1
1332 1 38 MET ME 1 82 PHE QD . . 6.500 5.772 5.238 6.550 0.050 12 0 "[ . 1 . 2 . 3 ]" 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 98
_Distance_constraint_stats_list.Viol_count 1167
_Distance_constraint_stats_list.Viol_total 3094.314
_Distance_constraint_stats_list.Viol_max 0.414
_Distance_constraint_stats_list.Viol_rms 0.0592
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0308
_Distance_constraint_stats_list.Viol_average_violations_only 0.0829
_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 35 TRP 12.157 0.362 32 0 "[ . 1 . 2 . 3 ]"
1 36 HIS 0.623 0.051 13 0 "[ . 1 . 2 . 3 ]"
1 37 GLU 0.329 0.040 23 0 "[ . 1 . 2 . 3 ]"
1 38 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 39 TRP 12.600 0.362 32 0 "[ . 1 . 2 . 3 ]"
1 40 HIS 1.636 0.090 31 0 "[ . 1 . 2 . 3 ]"
1 41 GLU 3.032 0.138 27 0 "[ . 1 . 2 . 3 ]"
1 42 GLY 0.053 0.022 31 0 "[ . 1 . 2 . 3 ]"
1 43 LEU 0.443 0.045 32 0 "[ . 1 . 2 . 3 ]"
1 44 GLU 2.890 0.167 23 0 "[ . 1 . 2 . 3 ]"
1 45 GLU 3.208 0.138 27 0 "[ . 1 . 2 . 3 ]"
1 46 ALA 1.259 0.128 27 0 "[ . 1 . 2 . 3 ]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 48 ARG 1.878 0.167 23 0 "[ . 1 . 2 . 3 ]"
1 49 LEU 0.505 0.081 23 0 "[ . 1 . 2 . 3 ]"
1 50 TYR 1.207 0.128 27 0 "[ . 1 . 2 . 3 ]"
1 51 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 56 VAL 3.887 0.162 27 0 "[ . 1 . 2 . 3 ]"
1 57 LYS 0.266 0.108 3 0 "[ . 1 . 2 . 3 ]"
1 58 GLY 5.905 0.414 32 0 "[ . 1 . 2 . 3 ]"
1 59 MET 2.027 0.149 19 0 "[ . 1 . 2 . 3 ]"
1 60 PHE 3.887 0.162 27 0 "[ . 1 . 2 . 3 ]"
1 61 GLU 0.266 0.108 3 0 "[ . 1 . 2 . 3 ]"
1 62 VAL 16.198 0.414 32 0 "[ . 1 . 2 . 3 ]"
1 63 LEU 2.027 0.149 19 0 "[ . 1 . 2 . 3 ]"
1 64 GLU 0.688 0.072 22 0 "[ . 1 . 2 . 3 ]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 66 LEU 20.881 0.305 19 0 "[ . 1 . 2 . 3 ]"
1 67 HIS 5.510 0.223 25 0 "[ . 1 . 2 . 3 ]"
1 68 ALA 0.716 0.072 22 0 "[ . 1 . 2 . 3 ]"
1 69 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 70 MET 10.587 0.305 19 0 "[ . 1 . 2 . 3 ]"
1 71 GLU 5.510 0.223 25 0 "[ . 1 . 2 . 3 ]"
1 72 ARG 0.028 0.028 29 0 "[ . 1 . 2 . 3 ]"
1 88 ARG 2.105 0.155 23 0 "[ . 1 . 2 . 3 ]"
1 89 ASP 0.360 0.104 29 0 "[ . 1 . 2 . 3 ]"
1 90 LEU 0.025 0.013 16 0 "[ . 1 . 2 . 3 ]"
1 91 MET 4.961 0.317 25 0 "[ . 1 . 2 . 3 ]"
1 92 GLU 5.479 0.164 29 0 "[ . 1 . 2 . 3 ]"
1 93 ALA 2.511 0.183 30 0 "[ . 1 . 2 . 3 ]"
1 94 GLN 1.109 0.108 23 0 "[ . 1 . 2 . 3 ]"
1 95 GLU 6.109 0.317 25 0 "[ . 1 . 2 . 3 ]"
1 96 TRP 4.987 0.164 29 0 "[ . 1 . 2 . 3 ]"
1 97 CYS 2.223 0.183 30 0 "[ . 1 . 2 . 3 ]"
1 98 ARG 1.819 0.108 23 0 "[ . 1 . 2 . 3 ]"
1 99 LYS 1.147 0.187 26 0 "[ . 1 . 2 . 3 ]"
1 100 TYR 1.613 0.112 12 0 "[ . 1 . 2 . 3 ]"
1 101 MET 0.072 0.046 12 0 "[ . 1 . 2 . 3 ]"
1 102 LYS 0.735 0.094 6 0 "[ . 1 . 2 . 3 ]"
1 107 LYS 1.311 0.078 22 0 "[ . 1 . 2 . 3 ]"
1 108 ASP 0.783 0.067 12 0 "[ . 1 . 2 . 3 ]"
1 109 LEU 0.527 0.072 23 0 "[ . 1 . 2 . 3 ]"
1 110 THR 0.048 0.015 32 0 "[ . 1 . 2 . 3 ]"
1 111 GLN 1.871 0.087 29 0 "[ . 1 . 2 . 3 ]"
1 112 ALA 1.433 0.070 28 0 "[ . 1 . 2 . 3 ]"
1 113 TRP 0.630 0.072 23 0 "[ . 1 . 2 . 3 ]"
1 114 ASP 2.698 0.145 15 0 "[ . 1 . 2 . 3 ]"
1 115 LEU 8.042 0.228 17 0 "[ . 1 . 2 . 3 ]"
1 116 TYR 0.650 0.070 28 0 "[ . 1 . 2 . 3 ]"
1 117 TYR 0.156 0.053 8 0 "[ . 1 . 2 . 3 ]"
1 118 HIS 5.328 0.254 18 0 "[ . 1 . 2 . 3 ]"
1 119 VAL 9.604 0.228 17 0 "[ . 1 . 2 . 3 ]"
1 120 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 121 ARG 0.053 0.053 8 0 "[ . 1 . 2 . 3 ]"
1 122 ARG 2.678 0.254 18 0 "[ . 1 . 2 . 3 ]"
1 123 ILE 2.122 0.181 32 0 "[ . 1 . 2 . 3 ]"
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 35 TRP O 1 39 TRP H . . 2.000 2.249 2.183 2.362 0.362 32 0 "[ . 1 . 2 . 3 ]" 2
2 1 35 TRP O 1 39 TRP N . . 3.000 3.130 3.067 3.254 0.254 32 0 "[ . 1 . 2 . 3 ]" 2
3 1 36 HIS O 1 40 HIS H . . 2.000 1.985 1.818 2.051 0.051 13 0 "[ . 1 . 2 . 3 ]" 2
4 1 36 HIS O 1 40 HIS N . . 3.000 2.962 2.724 3.038 0.038 12 0 "[ . 1 . 2 . 3 ]" 2
5 1 37 GLU O 1 41 GLU H . . 2.000 1.950 1.785 2.040 0.040 23 0 "[ . 1 . 2 . 3 ]" 2
6 1 37 GLU O 1 41 GLU N . . 3.000 2.925 2.767 3.021 0.021 21 0 "[ . 1 . 2 . 3 ]" 2
7 1 38 MET O 1 42 GLY H . . 2.000 1.719 1.508 1.971 . 0 0 "[ . 1 . 2 . 3 ]" 2
8 1 38 MET O 1 42 GLY N . . 3.000 2.518 2.419 2.669 . 0 0 "[ . 1 . 2 . 3 ]" 2
9 1 39 TRP O 1 43 LEU H . . 2.000 1.863 1.659 2.045 0.045 32 0 "[ . 1 . 2 . 3 ]" 2
10 1 39 TRP O 1 43 LEU N . . 3.000 2.840 2.630 3.044 0.044 30 0 "[ . 1 . 2 . 3 ]" 2
11 1 40 HIS O 1 44 GLU H . . 2.000 1.999 1.828 2.090 0.090 31 0 "[ . 1 . 2 . 3 ]" 2
12 1 40 HIS O 1 44 GLU N . . 3.000 2.847 2.704 2.952 . 0 0 "[ . 1 . 2 . 3 ]" 2
13 1 41 GLU O 1 45 GLU H . . 2.000 2.069 1.870 2.138 0.138 27 0 "[ . 1 . 2 . 3 ]" 2
14 1 41 GLU O 1 45 GLU N . . 3.000 2.998 2.822 3.060 0.060 2 0 "[ . 1 . 2 . 3 ]" 2
15 1 42 GLY O 1 46 ALA H . . 2.000 1.861 1.592 2.022 0.022 31 0 "[ . 1 . 2 . 3 ]" 2
16 1 42 GLY O 1 46 ALA N . . 3.000 2.854 2.566 3.021 0.021 31 0 "[ . 1 . 2 . 3 ]" 2
17 1 43 LEU O 1 47 SER H . . 2.000 1.526 1.464 1.625 . 0 0 "[ . 1 . 2 . 3 ]" 2
18 1 43 LEU O 1 47 SER N . . 3.000 2.475 2.414 2.586 . 0 0 "[ . 1 . 2 . 3 ]" 2
19 1 44 GLU O 1 48 ARG H . . 2.000 1.984 1.521 2.167 0.167 23 0 "[ . 1 . 2 . 3 ]" 2
20 1 44 GLU O 1 48 ARG N . . 3.000 2.893 2.516 3.098 0.098 23 0 "[ . 1 . 2 . 3 ]" 2
21 1 45 GLU O 1 49 LEU H . . 2.000 1.861 1.606 2.081 0.081 23 0 "[ . 1 . 2 . 3 ]" 2
22 1 45 GLU O 1 49 LEU N . . 3.000 2.786 2.601 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 2
23 1 46 ALA O 1 50 TYR H . . 2.000 1.952 1.606 2.128 0.128 27 0 "[ . 1 . 2 . 3 ]" 2
24 1 46 ALA O 1 50 TYR N . . 3.000 2.848 2.526 3.029 0.029 27 0 "[ . 1 . 2 . 3 ]" 2
25 1 47 SER O 1 51 PHE H . . 2.000 1.587 1.458 1.931 . 0 0 "[ . 1 . 2 . 3 ]" 2
26 1 47 SER O 1 51 PHE N . . 3.000 2.571 2.418 2.917 . 0 0 "[ . 1 . 2 . 3 ]" 2
27 1 56 VAL O 1 60 PHE H . . 2.000 2.071 1.953 2.162 0.162 27 0 "[ . 1 . 2 . 3 ]" 2
28 1 56 VAL O 1 60 PHE N . . 3.000 3.036 2.906 3.142 0.142 27 0 "[ . 1 . 2 . 3 ]" 2
29 1 57 LYS O 1 61 GLU H . . 2.000 1.828 1.521 2.108 0.108 3 0 "[ . 1 . 2 . 3 ]" 2
30 1 57 LYS O 1 61 GLU N . . 3.000 2.745 2.453 3.041 0.041 3 0 "[ . 1 . 2 . 3 ]" 2
31 1 58 GLY O 1 62 VAL H . . 2.000 2.185 2.074 2.414 0.414 32 0 "[ . 1 . 2 . 3 ]" 2
32 1 58 GLY O 1 62 VAL N . . 3.000 2.766 2.667 2.962 . 0 0 "[ . 1 . 2 . 3 ]" 2
33 1 59 MET O 1 63 LEU H . . 2.000 1.932 1.596 2.149 0.149 19 0 "[ . 1 . 2 . 3 ]" 2
34 1 59 MET O 1 63 LEU N . . 3.000 2.864 2.547 3.081 0.081 4 0 "[ . 1 . 2 . 3 ]" 2
35 1 60 PHE O 1 64 GLU H . . 2.000 1.778 1.514 1.846 . 0 0 "[ . 1 . 2 . 3 ]" 2
36 1 60 PHE O 1 64 GLU N . . 3.000 2.728 2.477 2.811 . 0 0 "[ . 1 . 2 . 3 ]" 2
37 1 62 VAL O 1 66 LEU H . . 2.000 2.182 2.132 2.264 0.264 29 0 "[ . 1 . 2 . 3 ]" 2
38 1 62 VAL O 1 66 LEU N . . 3.000 3.140 3.079 3.236 0.236 29 0 "[ . 1 . 2 . 3 ]" 2
39 1 63 LEU O 1 67 HIS H . . 2.000 1.474 1.440 1.521 . 0 0 "[ . 1 . 2 . 3 ]" 2
40 1 63 LEU O 1 67 HIS N . . 3.000 2.425 2.381 2.495 . 0 0 "[ . 1 . 2 . 3 ]" 2
41 1 64 GLU O 1 68 ALA H . . 2.000 2.017 1.970 2.072 0.072 22 0 "[ . 1 . 2 . 3 ]" 2
42 1 64 GLU O 1 68 ALA N . . 3.000 2.948 2.879 3.021 0.021 22 0 "[ . 1 . 2 . 3 ]" 2
43 1 65 PRO O 1 69 MET H . . 2.000 1.473 1.426 1.519 . 0 0 "[ . 1 . 2 . 3 ]" 2
44 1 65 PRO O 1 69 MET N . . 3.000 2.466 2.425 2.514 . 0 0 "[ . 1 . 2 . 3 ]" 2
45 1 66 LEU O 1 70 MET H . . 2.000 2.240 2.191 2.305 0.305 19 0 "[ . 1 . 2 . 3 ]" 2
46 1 66 LEU O 1 70 MET N . . 3.000 3.091 3.019 3.152 0.152 27 0 "[ . 1 . 2 . 3 ]" 2
47 1 67 HIS O 1 71 GLU H . . 2.000 2.163 2.022 2.223 0.223 25 0 "[ . 1 . 2 . 3 ]" 2
48 1 67 HIS O 1 71 GLU N . . 3.000 2.987 2.789 3.051 0.051 29 0 "[ . 1 . 2 . 3 ]" 2
49 1 68 ALA O 1 72 ARG H . . 2.000 1.866 1.800 2.028 0.028 29 0 "[ . 1 . 2 . 3 ]" 2
50 1 68 ALA O 1 72 ARG N . . 3.000 2.775 2.718 2.975 . 0 0 "[ . 1 . 2 . 3 ]" 2
51 1 88 ARG O 1 92 GLU H . . 2.000 2.031 1.889 2.155 0.155 23 0 "[ . 1 . 2 . 3 ]" 2
52 1 88 ARG O 1 92 GLU N . . 3.000 2.945 2.785 3.088 0.088 32 0 "[ . 1 . 2 . 3 ]" 2
53 1 89 ASP O 1 93 ALA H . . 2.000 1.842 1.520 2.104 0.104 29 0 "[ . 1 . 2 . 3 ]" 2
54 1 89 ASP O 1 93 ALA N . . 3.000 2.815 2.514 3.063 0.063 29 0 "[ . 1 . 2 . 3 ]" 2
55 1 90 LEU O 1 94 GLN H . . 2.000 1.704 1.528 2.013 0.013 16 0 "[ . 1 . 2 . 3 ]" 2
56 1 90 LEU O 1 94 GLN N . . 3.000 2.633 2.466 2.911 . 0 0 "[ . 1 . 2 . 3 ]" 2
57 1 91 MET O 1 95 GLU H . . 2.000 2.130 2.037 2.317 0.317 25 0 "[ . 1 . 2 . 3 ]" 2
58 1 91 MET O 1 95 GLU N . . 3.000 2.986 2.862 3.147 0.147 25 0 "[ . 1 . 2 . 3 ]" 2
59 1 92 GLU O 1 96 TRP H . . 2.000 2.100 2.004 2.164 0.164 29 0 "[ . 1 . 2 . 3 ]" 2
60 1 92 GLU O 1 96 TRP N . . 3.000 2.979 2.900 3.046 0.046 29 0 "[ . 1 . 2 . 3 ]" 2
61 1 93 ALA O 1 97 CYS H . . 2.000 2.050 1.822 2.183 0.183 30 0 "[ . 1 . 2 . 3 ]" 2
62 1 93 ALA O 1 97 CYS N . . 3.000 2.851 2.603 3.035 0.035 25 0 "[ . 1 . 2 . 3 ]" 2
63 1 94 GLN O 1 98 ARG H . . 2.000 1.943 1.658 2.108 0.108 23 0 "[ . 1 . 2 . 3 ]" 2
64 1 94 GLN O 1 98 ARG N . . 3.000 2.912 2.636 3.064 0.064 8 0 "[ . 1 . 2 . 3 ]" 2
65 1 95 GLU O 1 99 LYS H . . 2.000 1.973 1.757 2.187 0.187 26 0 "[ . 1 . 2 . 3 ]" 2
66 1 95 GLU O 1 99 LYS N . . 3.000 2.850 2.624 3.043 0.043 27 0 "[ . 1 . 2 . 3 ]" 2
67 1 96 TRP O 1 100 TYR H . . 2.000 2.040 1.910 2.112 0.112 12 0 "[ . 1 . 2 . 3 ]" 2
68 1 96 TRP O 1 100 TYR N . . 3.000 2.907 2.781 3.063 0.063 8 0 "[ . 1 . 2 . 3 ]" 2
69 1 97 CYS O 1 101 MET H . . 2.000 1.777 1.534 2.046 0.046 12 0 "[ . 1 . 2 . 3 ]" 2
70 1 97 CYS O 1 101 MET N . . 3.000 2.740 2.517 3.019 0.019 12 0 "[ . 1 . 2 . 3 ]" 2
71 1 98 ARG O 1 102 LYS H . . 2.000 1.975 1.522 2.094 0.094 6 0 "[ . 1 . 2 . 3 ]" 2
72 1 98 ARG O 1 102 LYS N . . 3.000 2.857 2.521 2.997 . 0 0 "[ . 1 . 2 . 3 ]" 2
73 1 107 LYS O 1 111 GLN H . . 2.000 2.035 1.946 2.078 0.078 22 0 "[ . 1 . 2 . 3 ]" 2
74 1 107 LYS O 1 111 GLN N . . 3.000 2.983 2.927 3.039 0.039 29 0 "[ . 1 . 2 . 3 ]" 2
75 1 108 ASP O 1 112 ALA H . . 2.000 1.996 1.710 2.067 0.067 12 0 "[ . 1 . 2 . 3 ]" 2
76 1 108 ASP O 1 112 ALA N . . 3.000 2.956 2.681 3.023 0.023 4 0 "[ . 1 . 2 . 3 ]" 2
77 1 109 LEU O 1 113 TRP H . . 2.000 1.941 1.657 2.072 0.072 23 0 "[ . 1 . 2 . 3 ]" 2
78 1 109 LEU O 1 113 TRP N . . 3.000 2.891 2.650 3.024 0.024 30 0 "[ . 1 . 2 . 3 ]" 2
79 1 110 THR O 1 114 ASP H . . 2.000 1.891 1.592 2.015 0.015 32 0 "[ . 1 . 2 . 3 ]" 2
80 1 110 THR O 1 114 ASP N . . 3.000 2.712 2.523 2.852 . 0 0 "[ . 1 . 2 . 3 ]" 2
81 1 111 GLN O 1 115 LEU H . . 2.000 1.960 1.746 2.087 0.087 29 0 "[ . 1 . 2 . 3 ]" 2
82 1 111 GLN O 1 115 LEU N . . 3.000 2.893 2.719 2.987 . 0 0 "[ . 1 . 2 . 3 ]" 2
83 1 112 ALA O 1 116 TYR H . . 2.000 1.981 1.749 2.070 0.070 28 0 "[ . 1 . 2 . 3 ]" 2
84 1 112 ALA O 1 116 TYR N . . 3.000 2.969 2.746 3.056 0.056 31 0 "[ . 1 . 2 . 3 ]" 2
85 1 113 TRP O 1 117 TYR H . . 2.000 1.792 1.580 2.028 0.028 12 0 "[ . 1 . 2 . 3 ]" 2
86 1 113 TRP O 1 117 TYR N . . 3.000 2.778 2.566 3.014 0.014 12 0 "[ . 1 . 2 . 3 ]" 2
87 1 114 ASP O 1 118 HIS H . . 2.000 2.066 1.953 2.145 0.145 15 0 "[ . 1 . 2 . 3 ]" 2
88 1 114 ASP O 1 118 HIS N . . 3.000 2.963 2.811 3.083 0.083 23 0 "[ . 1 . 2 . 3 ]" 2
89 1 115 LEU O 1 119 VAL H . . 2.000 2.151 2.068 2.228 0.228 17 0 "[ . 1 . 2 . 3 ]" 2
90 1 115 LEU O 1 119 VAL N . . 3.000 3.082 2.985 3.144 0.144 28 0 "[ . 1 . 2 . 3 ]" 2
91 1 116 TYR O 1 120 PHE H . . 2.000 1.537 1.426 1.731 . 0 0 "[ . 1 . 2 . 3 ]" 2
92 1 116 TYR O 1 120 PHE N . . 3.000 2.521 2.411 2.715 . 0 0 "[ . 1 . 2 . 3 ]" 2
93 1 117 TYR O 1 121 ARG H . . 2.000 1.719 1.572 2.053 0.053 8 0 "[ . 1 . 2 . 3 ]" 2
94 1 117 TYR O 1 121 ARG N . . 3.000 2.502 2.413 2.777 . 0 0 "[ . 1 . 2 . 3 ]" 2
95 1 118 HIS O 1 122 ARG H . . 2.000 2.067 1.612 2.254 0.254 18 0 "[ . 1 . 2 . 3 ]" 2
96 1 118 HIS O 1 122 ARG N . . 3.000 2.868 2.551 3.009 0.009 17 0 "[ . 1 . 2 . 3 ]" 2
97 1 119 VAL O 1 123 ILE H . . 2.000 2.031 1.946 2.181 0.181 32 0 "[ . 1 . 2 . 3 ]" 2
98 1 119 VAL O 1 123 ILE N . . 3.000 3.018 2.932 3.149 0.149 32 0 "[ . 1 . 2 . 3 ]" 2
stop_
save_
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