Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
605165 | 2n7d RC | 25801 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n7d
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 1070
_Distance_constraint_stats_list.Viol_count 1348
_Distance_constraint_stats_list.Viol_total 1649.260
_Distance_constraint_stats_list.Viol_max 0.353
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0306
_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 17 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 21 HIS 0.332 0.062 26 0 "[ . 1 . 2 . 3 . 4]"
1 22 MET 1.358 0.062 26 0 "[ . 1 . 2 . 3 . 4]"
1 23 LEU 0.241 0.072 17 0 "[ . 1 . 2 . 3 . 4]"
1 24 LEU 0.413 0.062 37 0 "[ . 1 . 2 . 3 . 4]"
1 25 THR 1.240 0.092 27 0 "[ . 1 . 2 . 3 . 4]"
1 26 VAL 1.722 0.187 9 0 "[ . 1 . 2 . 3 . 4]"
1 27 TYR 1.226 0.084 7 0 "[ . 1 . 2 . 3 . 4]"
1 28 CYS 0.594 0.058 2 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 0.717 0.045 3 0 "[ . 1 . 2 . 3 . 4]"
1 30 ARG 0.762 0.068 19 0 "[ . 1 . 2 . 3 . 4]"
1 31 ARG 0.392 0.066 14 0 "[ . 1 . 2 . 3 . 4]"
1 32 ASP 0.034 0.012 25 0 "[ . 1 . 2 . 3 . 4]"
1 33 LEU 0.101 0.016 29 0 "[ . 1 . 2 . 3 . 4]"
1 34 SER 1.571 0.078 20 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLU 1.699 0.078 20 0 "[ . 1 . 2 . 3 . 4]"
1 36 VAL 1.198 0.044 29 0 "[ . 1 . 2 . 3 . 4]"
1 37 THR 0.705 0.084 7 0 "[ . 1 . 2 . 3 . 4]"
1 38 PHE 3.322 0.187 9 0 "[ . 1 . 2 . 3 . 4]"
1 39 SER 0.277 0.030 7 0 "[ . 1 . 2 . 3 . 4]"
1 40 LEU 2.838 0.162 9 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLN 2.160 0.120 18 0 "[ . 1 . 2 . 3 . 4]"
1 42 VAL 0.888 0.057 14 0 "[ . 1 . 2 . 3 . 4]"
1 43 ASP 0.580 0.051 3 0 "[ . 1 . 2 . 3 . 4]"
1 44 ALA 0.087 0.054 16 0 "[ . 1 . 2 . 3 . 4]"
1 45 ASP 0.005 0.005 21 0 "[ . 1 . 2 . 3 . 4]"
1 46 PHE 3.492 0.176 9 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLU 0.953 0.188 18 0 "[ . 1 . 2 . 3 . 4]"
1 48 LEU 0.665 0.109 18 0 "[ . 1 . 2 . 3 . 4]"
1 49 HIS 0.005 0.005 25 0 "[ . 1 . 2 . 3 . 4]"
1 50 ASN 0.918 0.188 18 0 "[ . 1 . 2 . 3 . 4]"
1 51 PHE 0.820 0.150 21 0 "[ . 1 . 2 . 3 . 4]"
1 52 ARG 1.381 0.200 29 0 "[ . 1 . 2 . 3 . 4]"
1 53 ALA 0.912 0.200 29 0 "[ . 1 . 2 . 3 . 4]"
1 54 LEU 1.750 0.136 9 0 "[ . 1 . 2 . 3 . 4]"
1 55 CYS 0.098 0.021 16 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.151 0.092 24 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 59 SER 0.287 0.055 21 0 "[ . 1 . 2 . 3 . 4]"
1 60 GLY 0.148 0.092 24 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 1.338 0.122 16 0 "[ . 1 . 2 . 3 . 4]"
1 62 PRO 0.020 0.020 16 0 "[ . 1 . 2 . 3 . 4]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 64 ALA 0.016 0.016 13 0 "[ . 1 . 2 . 3 . 4]"
1 65 GLU 0.037 0.020 16 0 "[ . 1 . 2 . 3 . 4]"
1 66 SER 0.022 0.015 35 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLN 1.634 0.323 21 0 "[ . 1 . 2 . 3 . 4]"
1 68 ILE 10.084 0.353 18 0 "[ . 1 . 2 . 3 . 4]"
1 69 VAL 2.632 0.116 21 0 "[ . 1 . 2 . 3 . 4]"
1 70 TYR 2.436 0.207 21 0 "[ . 1 . 2 . 3 . 4]"
1 71 ALA 0.000 0.000 36 0 "[ . 1 . 2 . 3 . 4]"
1 72 GLU 0.062 0.062 4 0 "[ . 1 . 2 . 3 . 4]"
1 73 ARG 0.435 0.081 30 0 "[ . 1 . 2 . 3 . 4]"
1 74 PRO 1.201 0.045 19 0 "[ . 1 . 2 . 3 . 4]"
1 75 LEU 8.135 0.353 18 0 "[ . 1 . 2 . 3 . 4]"
1 76 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 78 ASN 0.053 0.012 1 0 "[ . 1 . 2 . 3 . 4]"
1 79 HIS 0.001 0.001 11 0 "[ . 1 . 2 . 3 . 4]"
1 80 ARG 0.271 0.042 20 0 "[ . 1 . 2 . 3 . 4]"
1 81 SER 0.183 0.042 20 0 "[ . 1 . 2 . 3 . 4]"
1 82 LEU 0.815 0.182 9 0 "[ . 1 . 2 . 3 . 4]"
1 83 ALA 0.418 0.071 18 0 "[ . 1 . 2 . 3 . 4]"
1 84 SER 0.008 0.008 19 0 "[ . 1 . 2 . 3 . 4]"
1 85 TYR 2.588 0.149 9 0 "[ . 1 . 2 . 3 . 4]"
1 86 GLY 0.011 0.011 2 0 "[ . 1 . 2 . 3 . 4]"
1 87 LEU 2.939 0.207 21 0 "[ . 1 . 2 . 3 . 4]"
1 88 LYS 0.060 0.047 37 0 "[ . 1 . 2 . 3 . 4]"
1 89 ASP 0.213 0.054 30 0 "[ . 1 . 2 . 3 . 4]"
1 90 GLY 0.905 0.057 17 0 "[ . 1 . 2 . 3 . 4]"
1 91 ASP 0.967 0.105 9 0 "[ . 1 . 2 . 3 . 4]"
1 92 VAL 0.859 0.092 27 0 "[ . 1 . 2 . 3 . 4]"
1 93 VAL 1.142 0.070 15 0 "[ . 1 . 2 . 3 . 4]"
1 94 ILE 1.044 0.116 21 0 "[ . 1 . 2 . 3 . 4]"
1 95 LEU 0.819 0.117 39 0 "[ . 1 . 2 . 3 . 4]"
1 96 ARG 0.423 0.080 27 0 "[ . 1 . 2 . 3 . 4]"
1 97 GLN 1.482 0.122 16 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 92 VAL H 1 92 VAL HB 3.300 . 3.300 2.898 2.527 3.304 0.004 29 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 29 VAL H 1 97 GLN H 4.440 . 4.440 3.713 3.061 4.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 96 ARG H 1 97 GLN H 4.600 . 4.600 4.257 4.079 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 96 ARG HA 1 97 GLN H 2.940 . 2.940 2.113 2.036 2.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 97 GLN H 1 97 GLN QG 4.510 . 4.510 4.137 3.824 4.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 97 GLN H 1 97 GLN HB2 3.720 . 3.720 2.842 2.215 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 29 VAL HB 1 97 GLN H 4.910 . 4.910 3.933 2.781 4.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 97 GLN H 1 97 GLN HB3 3.720 . 3.720 2.740 2.393 3.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 29 VAL MG1 1 97 GLN H 5.380 . 5.380 4.456 3.448 5.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 67 GLN H 1 96 ARG H 3.760 . 3.760 2.863 2.684 3.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 95 LEU HA 1 96 ARG H 2.860 . 2.860 2.228 2.165 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 68 ILE HA 1 96 ARG H 4.190 . 4.190 3.379 3.062 3.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 96 ARG H 1 96 ARG QG 4.170 . 4.170 3.034 2.651 3.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 28 CYS HA 1 95 LEU H 3.700 . 3.700 2.758 2.546 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 94 ILE HA 1 95 LEU H 2.990 . 2.990 2.141 2.086 2.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 29 VAL H 1 95 LEU H 4.840 . 4.840 3.724 3.544 4.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 94 ILE H 1 95 LEU H 5.190 . 5.190 4.358 4.129 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 69 VAL H 1 94 ILE H 4.100 . 4.100 3.181 2.922 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 94 ILE H 1 94 ILE HB 3.420 . 3.420 2.629 2.489 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 24 LEU HA 1 90 GLY H 4.420 . 4.420 2.984 2.687 3.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 89 ASP HB2 1 90 GLY H 4.470 . 4.470 3.572 3.153 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 89 ASP HB3 1 90 GLY H 4.470 . 4.470 4.061 3.166 4.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 89 ASP HA 1 90 GLY H 2.890 . 2.890 2.125 2.061 2.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 92 VAL H 1 92 VAL MG1 4.030 . 4.030 3.254 2.084 3.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 92 VAL H 1 92 VAL MG2 4.030 . 4.030 3.089 2.487 3.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 91 ASP HB3 1 92 VAL H 4.290 . 4.290 2.848 2.451 3.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 91 ASP HB2 1 92 VAL H 4.290 . 4.290 3.979 3.820 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 44 ALA H 1 44 ALA MB 3.060 . 3.060 2.231 2.213 2.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 53 ALA H 1 53 ALA MB 3.030 . 3.030 2.259 2.240 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 62 PRO HA 1 63 ALA H 2.860 . 2.860 2.182 2.086 2.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 63 ALA H 1 63 ALA MB 3.060 . 3.060 2.224 2.201 2.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 71 ALA H 1 71 ALA MB 3.630 . 3.630 2.832 2.786 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 64 ALA H 1 64 ALA MB 3.280 . 3.280 2.226 2.217 2.245 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 70 TYR H 1 70 TYR QD 4.360 . 4.360 4.213 3.936 4.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 83 ALA H 1 83 ALA MB 2.970 . 2.970 2.231 2.214 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 93 VAL H 1 93 VAL HB 3.990 . 3.990 3.168 2.411 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 69 VAL H 1 69 VAL HB 4.210 . 4.210 2.972 2.564 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 42 VAL H 1 42 VAL MG1 3.860 . 3.860 3.141 2.958 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 42 VAL H 1 42 VAL MG2 3.340 . 3.340 2.217 2.112 2.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 61 ILE H 1 61 ILE HB 3.840 . 3.840 3.770 2.737 3.857 0.017 30 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 61 ILE H 1 61 ILE MD 4.110 . 4.110 3.826 2.716 4.035 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 61 ILE H 1 61 ILE MG 4.060 . 4.060 3.102 2.622 3.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 68 ILE H 1 68 ILE HB 3.130 . 3.130 3.065 2.846 3.162 0.032 16 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 68 ILE H 1 68 ILE MG 3.800 . 3.800 2.087 1.857 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 75 LEU H 1 75 LEU HB2 3.840 . 3.840 2.424 2.202 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 82 LEU H 1 82 LEU HB2 3.950 . 3.950 2.418 2.164 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 82 LEU H 1 82 LEU HG 3.660 . 3.660 2.321 2.012 3.842 0.182 9 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 46 PHE H 1 46 PHE HB3 3.400 . 3.400 2.785 2.676 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 46 PHE H 1 46 PHE HB2 3.080 . 3.080 2.176 2.079 2.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 51 PHE H 1 51 PHE HB2 3.380 . 3.380 2.458 2.364 2.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 51 PHE H 1 51 PHE HB3 3.380 . 3.380 2.539 2.466 2.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 85 TYR H 1 85 TYR HB2 3.760 . 3.760 2.346 2.243 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 85 TYR H 1 85 TYR HB3 3.760 . 3.760 3.605 3.503 3.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 70 TYR H 1 70 TYR HB2 3.910 . 3.910 3.461 3.330 3.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 70 TYR H 1 70 TYR HB3 3.910 . 3.910 2.644 2.551 2.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 27 TYR H 1 27 TYR QB 3.530 . 3.530 2.423 2.257 2.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 49 HIS H 1 49 HIS HB2 3.680 . 3.680 2.407 2.123 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 49 HIS H 1 49 HIS HB3 3.680 . 3.680 2.629 2.158 2.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 34 SER H 1 34 SER QB 3.510 . 3.510 2.661 2.253 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 66 SER H 1 66 SER HB2 4.080 . 4.080 3.417 2.609 3.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 66 SER H 1 66 SER HB3 4.080 . 4.080 3.269 2.755 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 81 SER H 1 81 SER HB2 3.850 . 3.850 3.457 2.463 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 81 SER H 1 84 SER HB3 4.330 . 4.330 3.771 2.779 4.338 0.008 19 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 81 SER H 1 81 SER HB3 3.850 . 3.850 2.861 2.642 3.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 84 SER H 1 84 SER HB2 3.870 . 3.870 2.560 2.096 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 84 SER H 1 84 SER HB3 3.870 . 3.870 3.295 2.498 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 37 THR H 1 37 THR HB 3.610 . 3.610 3.323 3.225 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 37 THR H 1 37 THR MG 3.830 . 3.830 2.350 2.223 2.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 25 THR H 1 25 THR HB 3.380 . 3.380 2.627 2.545 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 25 THR H 1 25 THR MG 4.020 . 4.020 3.866 3.807 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 25 THR H 1 92 VAL MG1 4.900 . 4.900 4.589 4.039 4.992 0.092 27 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 28 CYS H 1 37 THR HA 4.080 . 4.080 2.916 2.733 3.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 28 CYS H 1 28 CYS QB 3.270 . 3.270 2.362 2.270 2.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 55 CYS H 1 55 CYS HB2 3.730 . 3.730 2.994 2.418 3.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 55 CYS H 1 55 CYS HB3 3.730 . 3.730 2.744 2.409 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 88 LYS HA 1 89 ASP H 2.980 . 2.980 2.385 2.269 2.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 88 LYS QB 1 89 ASP H 3.240 . 3.240 2.392 2.069 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 88 LYS H 1 88 LYS QB 3.760 . 3.760 2.454 2.089 2.831 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 50 ASN H 1 50 ASN HB2 3.760 . 3.760 2.320 2.038 2.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 50 ASN H 1 50 ASN HB3 3.760 . 3.760 3.177 2.669 3.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 40 LEU H 1 40 LEU HB3 3.840 . 3.840 3.691 3.590 3.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 40 LEU H 1 40 LEU HB2 3.840 . 3.840 2.536 2.380 2.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 96 ARG H 1 96 ARG HB2 4.070 . 4.070 2.612 2.434 2.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 96 ARG H 1 96 ARG HB3 4.070 . 4.070 3.774 3.619 3.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 80 ARG H 1 80 ARG HB2 4.090 . 4.090 2.404 2.088 2.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 80 ARG H 1 80 ARG HB3 4.090 . 4.090 3.618 3.273 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 80 ARG H 1 80 ARG HG3 4.680 . 4.680 2.923 2.323 4.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 18 GLU H 1 18 GLU QG 4.600 . 4.600 3.335 2.199 4.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 35 GLU HB3 1 36 VAL H 4.300 . 4.300 3.668 2.687 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 35 GLU HB2 1 36 VAL H 4.300 . 4.300 2.942 2.525 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 35 GLU HG3 1 36 VAL H 4.900 . 4.900 4.234 3.882 4.933 0.033 40 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 22 MET H 1 22 MET HG2 4.080 . 4.080 2.621 2.022 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 22 MET H 1 22 MET HG3 4.080 . 4.080 3.145 2.212 3.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 94 ILE MG 1 95 LEU H 3.280 . 3.280 2.756 2.592 3.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 95 LEU H 1 95 LEU HB2 3.760 . 3.760 2.852 2.277 3.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 95 LEU H 1 95 LEU HB3 3.590 . 3.590 2.582 2.356 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 73 ARG H 1 73 ARG QB 3.230 . 3.230 2.489 2.280 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 31 ARG H 1 31 ARG QG 4.680 . 4.680 3.341 2.094 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 30 ARG H 1 30 ARG HG2 4.640 . 4.640 3.861 3.037 4.643 0.003 6 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 30 ARG H 1 30 ARG QD 5.050 . 5.050 4.641 4.147 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 22 MET HB2 1 23 LEU H 4.090 . 4.090 2.697 2.123 3.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 23 LEU H 1 23 LEU HB2 3.920 . 3.920 2.928 2.684 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 23 LEU H 1 23 LEU HB3 3.920 . 3.920 2.599 2.408 2.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 23 LEU HG 1 24 LEU H 4.090 . 4.090 2.880 2.436 3.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 24 LEU H 1 24 LEU HG 4.560 . 4.560 3.194 2.920 4.562 0.002 37 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 30 ARG HB2 1 35 GLU H 4.260 . 4.260 3.854 3.228 4.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 43 ASP H 1 43 ASP HB3 3.780 . 3.780 2.777 2.449 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 43 ASP H 1 43 ASP HB2 3.780 . 3.780 2.543 2.254 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 45 ASP H 1 45 ASP HB3 3.670 . 3.670 2.877 2.614 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 45 ASP H 1 45 ASP HB2 3.670 . 3.670 2.517 2.097 3.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 48 LEU H 1 48 LEU HB3 3.690 . 3.690 3.028 2.506 3.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 48 LEU H 1 48 LEU HB2 3.690 . 3.690 2.176 2.021 2.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 48 LEU H 1 48 LEU MD1 4.450 . 4.450 4.122 3.795 4.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 48 LEU H 1 48 LEU MD2 4.450 . 4.450 3.897 2.699 4.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 52 ARG H 1 52 ARG HB3 3.730 . 3.730 2.754 2.504 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 52 ARG H 1 52 ARG HG2 3.970 . 3.970 2.725 2.167 3.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 52 ARG H 1 52 ARG HB2 3.730 . 3.730 3.498 2.426 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 54 LEU H 1 54 LEU MD2 4.400 . 4.400 4.021 3.393 4.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 54 LEU H 1 54 LEU MD1 4.400 . 4.400 3.391 2.568 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 54 LEU H 1 54 LEU HB2 3.790 . 3.790 2.247 2.029 2.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 67 GLN H 1 67 GLN HG2 4.730 . 4.730 3.657 2.365 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 67 GLN H 1 67 GLN HG3 4.730 . 4.730 3.903 2.278 4.740 0.010 3 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 67 GLN H 1 67 GLN HB2 4.000 . 4.000 2.912 2.411 3.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 67 GLN H 1 67 GLN HB3 4.000 . 4.000 3.525 2.580 3.857 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 72 GLU H 1 72 GLU HA 2.870 . 2.870 2.259 2.243 2.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 72 GLU H 1 72 GLU HG2 4.180 . 4.180 3.262 3.058 3.435 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 72 GLU H 1 72 GLU HG3 4.180 . 4.180 2.975 2.869 3.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 72 GLU H 1 72 GLU HB2 4.150 . 4.150 3.628 3.589 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 72 GLU H 1 72 GLU HB3 4.150 . 4.150 4.054 4.031 4.096 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 91 ASP H 1 91 ASP HB3 3.790 . 3.790 3.288 2.843 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 91 ASP H 1 91 ASP HB2 3.790 . 3.790 2.248 2.165 2.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 75 LEU H 1 75 LEU HG 3.450 . 3.450 2.826 2.530 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 75 LEU H 1 75 LEU MD1 4.120 . 4.120 3.432 2.560 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 75 LEU H 1 75 LEU MD2 4.390 . 4.390 3.958 3.490 4.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 26 VAL MG1 1 27 TYR H 3.640 . 3.640 2.765 2.584 2.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 26 VAL HA 1 27 TYR H 2.940 . 2.940 2.160 2.022 2.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 27 TYR H 1 94 ILE HA 3.720 . 3.720 2.756 2.518 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 27 TYR H 1 27 TYR QD 4.470 . 4.470 4.337 4.272 4.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 26 VAL HB 1 27 TYR H 4.520 . 4.520 4.193 4.110 4.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 26 VAL MG2 1 27 TYR H 4.810 . 4.810 4.136 4.026 4.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 27 TYR H 1 95 LEU H 4.530 . 4.530 3.614 3.283 3.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 38 PHE H 1 38 PHE QD 3.920 . 3.920 3.209 3.072 3.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 46 PHE H 1 46 PHE QD 4.510 . 4.510 3.960 3.793 4.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 46 PHE QD 1 51 PHE H 4.650 . 4.650 3.269 2.903 3.752 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 49 HIS H 1 50 ASN H 3.690 . 3.690 2.740 2.601 2.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 61 ILE H 1 61 ILE HG13 4.290 . 4.290 2.595 1.945 3.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 68 ILE H 1 68 ILE MD 5.050 . 5.050 4.703 4.525 4.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 41 GLN H 1 41 GLN QG 4.320 . 4.320 3.008 1.922 4.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 41 GLN H 1 41 GLN HB2 3.880 . 3.880 3.009 2.343 3.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 41 GLN H 1 41 GLN HB3 3.880 . 3.880 3.074 2.427 3.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 30 ARG H 1 30 ARG HB3 3.710 . 3.710 3.624 3.173 3.771 0.061 15 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 30 ARG H 1 30 ARG HB2 3.660 . 3.660 2.495 2.190 2.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 57 LEU H 1 57 LEU HB3 3.250 . 3.250 2.508 2.458 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 57 LEU H 1 57 LEU HB2 3.250 . 3.250 2.413 2.073 2.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 57 LEU H 1 57 LEU MD1 4.980 . 4.980 4.113 3.987 4.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 57 LEU H 1 57 LEU MD2 4.980 . 4.980 4.192 4.075 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 80 ARG H 1 80 ARG HG2 4.680 . 4.680 3.951 3.396 4.711 0.031 1 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 52 ARG H 1 52 ARG HG3 3.970 . 3.970 2.988 2.127 3.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 51 PHE HB2 1 52 ARG H 4.150 . 4.150 3.872 3.824 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 58 GLU H 1 58 GLU QB 3.220 . 3.220 2.289 2.031 2.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 57 LEU HB3 1 58 GLU H 4.120 . 4.120 2.442 2.342 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 58 GLU H 1 58 GLU HG3 4.750 . 4.750 4.031 3.564 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 57 LEU HB2 1 58 GLU H 4.120 . 4.120 3.778 3.465 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 58 GLU H 1 58 GLU HG2 4.750 . 4.750 3.288 2.232 4.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 55 CYS HA 1 58 GLU H 3.780 . 3.780 3.396 3.119 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 23 LEU H 1 23 LEU MD1 5.120 . 5.120 4.393 4.250 4.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 23 LEU H 1 23 LEU MD2 5.120 . 5.120 4.387 4.122 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 24 LEU H 1 24 LEU HB3 4.050 . 4.050 3.760 3.528 3.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 24 LEU H 1 24 LEU HB2 4.050 . 4.050 2.594 2.366 2.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 47 GLU H 1 47 GLU HB3 4.000 . 4.000 3.569 2.680 3.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 47 GLU H 1 47 GLU HG2 4.430 . 4.430 3.467 2.436 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 47 GLU H 1 47 GLU HG3 4.430 . 4.430 2.591 1.989 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 47 GLU H 1 50 ASN HB3 4.910 . 4.910 4.065 3.175 4.916 0.006 6 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 87 LEU H 1 87 LEU HB2 3.280 . 3.280 2.221 2.159 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 87 LEU H 1 87 LEU HB3 3.640 . 3.640 3.525 3.487 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 87 LEU H 1 87 LEU MD1 4.340 . 4.340 3.717 3.373 4.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 87 LEU H 1 87 LEU MD2 4.340 . 4.340 3.351 2.413 4.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 82 LEU H 1 82 LEU HB3 3.950 . 3.950 3.568 3.458 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 73 ARG H 1 73 ARG QG 4.290 . 4.290 3.115 2.669 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 62 PRO HB2 1 65 GLU H 4.270 . 4.270 2.518 2.149 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 65 GLU H 1 65 GLU HG2 4.300 . 4.300 3.375 2.002 4.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 65 GLU H 1 65 GLU HG3 4.300 . 4.300 3.062 2.548 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 26 VAL H 1 26 VAL HB 3.430 . 3.430 2.662 2.595 2.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 26 VAL H 1 26 VAL MG2 3.610 . 3.610 2.769 2.694 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 29 VAL H 1 29 VAL HB 3.670 . 3.670 2.627 2.480 2.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 29 VAL H 1 29 VAL MG1 4.120 . 4.120 3.882 3.808 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 29 VAL H 1 29 VAL MG2 3.580 . 3.580 2.549 2.339 2.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 21 HIS QB 1 22 MET H 3.570 . 3.570 2.428 2.230 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 21 HIS HA 1 22 MET H 2.980 . 2.980 2.503 2.341 2.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 23 LEU H 1 89 ASP HA 3.450 . 3.450 2.861 2.365 3.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 23 LEU HA 1 24 LEU H 2.950 . 2.950 2.189 2.094 2.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 24 LEU HB3 1 25 THR H 4.200 . 4.200 2.739 2.552 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 25 THR H 1 92 VAL MG2 4.900 . 4.900 3.873 3.547 4.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 24 LEU MD1 1 25 THR H 4.860 . 4.860 4.600 4.265 4.863 0.003 33 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 82 LEU H 1 82 LEU MD2 4.030 . 4.030 3.432 2.022 3.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 24 LEU MD2 1 25 THR H 4.860 . 4.860 3.486 3.163 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 82 LEU H 1 82 LEU MD1 4.030 . 4.030 3.316 2.194 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 24 LEU HG 1 25 THR H 5.060 . 5.060 4.968 3.497 5.067 0.007 31 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 82 LEU H 1 83 ALA MB 5.390 . 5.390 4.356 4.223 4.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 24 LEU HB2 1 25 THR H 4.200 . 4.200 3.881 3.687 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 25 THR H 1 92 VAL HA 3.620 . 3.620 2.772 2.462 3.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 24 LEU HA 1 25 THR H 3.130 . 3.130 2.294 2.216 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 81 SER HA 1 82 LEU H 3.400 . 3.400 2.412 2.252 2.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 25 THR MG 1 26 VAL H 3.400 . 3.400 2.515 2.407 2.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 25 THR HA 1 26 VAL H 2.950 . 2.950 2.232 2.203 2.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 26 VAL H 1 39 SER HA 3.630 . 3.630 2.874 2.740 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 29 VAL H 1 96 ARG QG 4.430 . 4.430 3.765 3.191 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 29 VAL H 1 95 LEU HB3 4.130 . 4.130 3.669 3.208 3.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 29 VAL H 1 96 ARG HA 3.740 . 3.740 2.830 2.597 3.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 29 VAL MG1 1 30 ARG H 3.720 . 3.720 2.718 2.538 3.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 29 VAL HA 1 30 ARG H 2.940 . 2.940 2.145 2.097 2.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 30 ARG H 1 35 GLU HA 3.870 . 3.870 2.918 2.381 3.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 30 ARG HB2 1 31 ARG H 4.540 . 4.540 4.087 3.849 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 30 ARG HB3 1 31 ARG H 4.340 . 4.340 2.962 2.647 3.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 31 ARG QB 1 32 ASP H 4.190 . 4.190 3.005 2.642 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 30 ARG HB3 1 32 ASP H 4.110 . 4.110 2.489 2.001 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 32 ASP HB3 1 33 LEU H 4.560 . 4.560 4.170 3.748 4.572 0.012 25 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 31 ARG HA 1 33 LEU H 4.260 . 4.260 3.477 3.255 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 30 ARG HB2 1 34 SER H 4.220 . 4.220 2.516 2.111 3.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 34 SER QB 1 35 GLU H 3.770 . 3.770 3.802 3.739 3.848 0.078 20 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 28 CYS QB 1 36 VAL H 3.880 . 3.880 2.981 2.768 3.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 36 VAL HB 1 37 THR H 4.130 . 4.130 4.086 4.004 4.135 0.005 19 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 37 THR MG 1 38 PHE H 4.200 . 4.200 3.741 3.563 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 26 VAL HB 1 38 PHE H 5.170 . 5.170 3.557 3.246 3.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 26 VAL MG2 1 38 PHE H 5.500 . 5.500 4.713 4.489 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 26 VAL MG1 1 38 PHE H 4.730 . 4.730 4.399 4.151 4.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 37 THR HB 1 38 PHE H 4.180 . 4.180 4.021 3.909 4.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 25 THR MG 1 39 SER H 4.700 . 4.700 4.660 4.370 4.730 0.030 7 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 38 PHE HB3 1 39 SER H 4.050 . 4.050 3.707 3.611 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 38 PHE HB2 1 39 SER H 4.050 . 4.050 2.292 2.138 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 39 SER HB3 1 40 LEU H 4.140 . 4.140 2.993 2.661 4.014 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 39 SER HB2 1 40 LEU H 4.140 . 4.140 3.639 2.642 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 25 THR HA 1 40 LEU H 3.830 . 3.830 3.515 3.330 3.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 41 GLN HA 1 42 VAL H 2.940 . 2.940 2.156 2.118 2.203 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 42 VAL HB 1 43 ASP H 3.830 . 3.830 2.448 2.140 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 42 VAL HA 1 43 ASP H 3.210 . 3.210 2.425 2.343 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 44 ALA MB 1 45 ASP H 3.630 . 3.630 2.623 2.503 2.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 43 ASP HB2 1 45 ASP H 4.640 . 4.640 4.276 3.165 4.645 0.005 21 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 43 ASP HA 1 45 ASP H 4.670 . 4.670 4.273 4.002 4.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 45 ASP H 1 46 PHE HA 5.170 . 5.170 4.797 4.643 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 50 ASN HB3 1 51 PHE H 3.860 . 3.860 3.222 2.559 3.861 0.001 30 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 50 ASN HB2 1 51 PHE H 3.860 . 3.860 3.272 2.763 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 48 LEU HA 1 51 PHE H 3.820 . 3.820 3.152 2.983 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 47 GLU H 1 50 ASN HB2 4.910 . 4.910 3.384 2.902 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 47 GLU H 1 47 GLU HB2 4.000 . 4.000 2.477 2.104 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 46 PHE HB3 1 47 GLU H 3.960 . 3.960 3.955 3.858 4.006 0.046 3 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 46 PHE HB2 1 47 GLU H 4.520 . 4.520 4.406 4.279 4.470 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 87 LEU H 1 87 LEU HG 4.120 . 4.120 3.471 2.801 4.158 0.038 17 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 49 HIS HB3 1 50 ASN H 4.520 . 4.520 2.532 2.352 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 52 ARG H 1 68 ILE MD 4.710 . 4.710 4.544 3.922 4.779 0.069 19 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 51 PHE HB3 1 52 ARG H 4.150 . 4.150 2.547 2.432 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 48 LEU HA 1 52 ARG H 4.160 . 4.160 3.835 3.664 4.153 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 53 ALA MB 1 54 LEU H 3.380 . 3.380 2.567 2.497 2.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 51 PHE HA 1 54 LEU H 4.000 . 4.000 3.317 3.163 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 40 LEU MD1 1 55 CYS H 5.460 . 5.460 3.272 2.965 3.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 54 LEU MD2 1 55 CYS H 5.500 . 5.500 4.539 4.175 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 54 LEU MD1 1 55 CYS H 5.500 . 5.500 4.589 4.378 4.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 40 LEU MD2 1 55 CYS H 5.460 . 5.460 4.880 4.317 5.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 54 LEU HB2 1 55 CYS H 3.940 . 3.940 3.284 2.537 3.947 0.007 9 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 54 LEU HB3 1 55 CYS H 3.940 . 3.940 2.929 2.482 3.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 52 ARG HA 1 55 CYS H 4.150 . 4.150 3.271 3.010 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 53 ALA HA 1 56 GLU H 3.830 . 3.830 3.314 3.147 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 55 CYS HB3 1 56 GLU H 4.410 . 4.410 3.455 2.485 4.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 55 CYS HB2 1 56 GLU H 4.410 . 4.410 3.743 2.510 4.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 54 LEU HA 1 57 LEU H 3.840 . 3.840 3.460 3.146 3.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 57 LEU MD1 1 58 GLU H 5.310 . 5.310 4.483 3.174 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 57 LEU MD2 1 58 GLU H 5.310 . 5.310 4.009 3.216 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 58 GLU QB 1 59 SER H 3.590 . 3.590 2.640 2.480 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 61 ILE H 1 61 ILE HG12 4.290 . 4.290 2.705 1.918 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 56 GLU HA 1 61 ILE H 3.860 . 3.860 3.460 2.994 3.863 0.003 21 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 62 PRO HB2 1 63 ALA H 4.440 . 4.440 3.957 3.724 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 62 PRO HB3 1 63 ALA H 4.440 . 4.440 3.632 3.306 4.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 63 ALA MB 1 64 ALA H 3.800 . 3.800 2.845 2.672 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 64 ALA MB 1 65 GLU H 4.000 . 4.000 2.884 2.706 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 63 ALA MB 1 65 GLU H 4.770 . 4.770 4.472 4.327 4.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 63 ALA HA 1 65 GLU H 4.860 . 4.860 3.865 3.619 4.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 64 ALA HA 1 66 SER H 3.970 . 3.970 3.689 3.483 3.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 66 SER HB2 1 67 GLN H 4.410 . 4.410 2.986 2.114 4.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 66 SER HB3 1 67 GLN H 4.410 . 4.410 3.388 2.232 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 67 GLN H 1 97 GLN HA 4.400 . 4.400 3.724 3.416 4.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 66 SER HA 1 67 GLN H 3.040 . 3.040 2.369 2.178 2.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 67 GLN HB2 1 68 ILE H 4.420 . 4.420 3.824 2.564 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 67 GLN HB3 1 68 ILE H 4.420 . 4.420 3.235 2.641 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 75 LEU H 1 75 LEU HB3 3.840 . 3.840 3.636 3.514 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 68 ILE MG 1 69 VAL H 4.010 . 4.010 3.990 3.831 4.075 0.065 40 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 70 TYR H 1 75 LEU MD1 4.540 . 4.540 3.715 3.001 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 70 TYR H 1 75 LEU MD2 4.290 . 4.290 3.958 3.276 4.310 0.020 14 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 69 VAL MG2 1 70 TYR H 4.020 . 4.020 3.576 2.403 4.054 0.034 9 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 69 VAL MG1 1 70 TYR H 4.020 . 4.020 3.099 2.546 4.046 0.026 34 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 70 TYR H 1 75 LEU HG 4.220 . 4.220 3.037 2.844 3.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 71 ALA MB 1 72 GLU H 3.830 . 3.830 3.716 3.688 3.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 71 ALA HA 1 72 GLU H 3.310 . 3.310 2.726 2.684 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 71 ALA MB 1 73 ARG H 4.530 . 4.530 3.445 3.284 3.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 56 GLU HA 1 60 GLY H 4.150 . 4.150 3.923 3.418 4.167 0.017 38 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 80 ARG HA 1 81 SER H 3.100 . 3.100 2.241 2.140 2.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 80 ARG HB3 1 81 SER H 4.570 . 4.570 2.840 2.371 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 80 ARG HB2 1 81 SER H 4.570 . 4.570 4.009 3.612 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 82 LEU HB3 1 83 ALA H 3.950 . 3.950 3.702 3.232 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 82 LEU HB2 1 83 ALA H 3.950 . 3.950 2.709 2.567 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 83 ALA MB 1 84 SER H 3.490 . 3.490 2.807 2.728 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 84 SER HB2 1 85 TYR H 4.490 . 4.490 3.523 3.157 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 82 LEU HA 1 85 TYR H 4.260 . 4.260 3.396 3.253 3.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 84 SER HB3 1 85 TYR H 4.490 . 4.490 3.878 3.007 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 83 ALA HA 1 85 TYR H 4.590 . 4.590 3.778 3.683 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 83 ALA HA 1 86 GLY H 4.170 . 4.170 3.164 3.057 3.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 83 ALA HA 1 87 LEU H 3.890 . 3.890 3.209 2.992 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 88 LYS H 1 91 ASP HB2 4.550 . 4.550 3.259 2.862 3.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 88 LYS H 1 88 LYS HG2 3.940 . 3.940 2.946 1.886 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 88 LYS H 1 88 LYS HG3 3.940 . 3.940 2.790 1.930 3.943 0.003 25 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 87 LEU HB3 1 88 LYS H 4.250 . 4.250 4.101 4.009 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 89 ASP H 1 89 ASP HB2 3.700 . 3.700 3.253 2.238 3.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 89 ASP H 1 89 ASP HB3 3.700 . 3.700 2.745 2.544 3.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 89 ASP HA 1 91 ASP H 3.970 . 3.970 3.471 3.370 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 24 LEU HA 1 91 ASP H 4.390 . 4.390 3.689 3.439 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 25 THR MG 1 93 VAL H 4.640 . 4.640 4.396 4.168 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 26 VAL HB 1 93 VAL H 5.500 . 5.500 5.524 5.490 5.570 0.070 15 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 26 VAL MG2 1 93 VAL H 5.500 . 5.500 3.632 3.442 3.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 95 LEU HB2 1 96 ARG H 4.740 . 4.740 4.305 4.138 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 51 PHE H 1 51 PHE QD 4.320 . 4.320 4.183 4.133 4.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 85 TYR H 1 87 LEU H 4.240 . 4.240 3.210 3.086 3.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 85 TYR H 1 85 TYR QD 3.630 . 3.630 3.041 2.680 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 85 TYR H 1 86 GLY H 3.490 . 3.490 2.165 2.068 2.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 21 HIS H 1 22 MET HA 4.900 . 4.900 4.617 4.206 4.962 0.062 26 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 22 MET HA 1 23 LEU H 2.920 . 2.920 2.429 2.213 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 22 MET HB3 1 23 LEU H 4.090 . 4.090 3.578 2.299 4.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 24 LEU H 1 25 THR H 4.710 . 4.710 4.490 4.447 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 25 THR H 1 26 VAL H 4.870 . 4.870 4.539 4.482 4.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 82 LEU H 1 83 ALA H 3.710 . 3.710 2.701 2.579 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 27 TYR HA 1 28 CYS H 2.970 . 2.970 2.180 2.126 2.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 28 CYS HA 1 29 VAL H 2.910 . 2.910 2.149 2.050 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 30 ARG H 1 33 LEU H 4.720 . 4.720 4.498 4.134 4.731 0.011 20 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 32 ASP H 1 33 LEU H 3.610 . 3.610 2.840 2.490 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 33 LEU H 1 34 SER H 3.540 . 3.540 2.720 2.534 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 30 ARG H 1 34 SER H 4.440 . 4.440 3.803 3.416 4.106 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 34 SER HA 1 35 GLU H 3.140 . 3.140 2.943 2.890 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 35 GLU H 1 36 VAL H 4.740 . 4.740 4.644 4.599 4.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 27 TYR HA 1 36 VAL H 4.870 . 4.870 4.804 4.658 4.881 0.011 11 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 35 GLU HA 1 36 VAL H 2.930 . 2.930 2.261 2.190 2.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 36 VAL HA 1 37 THR H 2.810 . 2.810 2.369 2.257 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 37 THR HA 1 38 PHE H 2.830 . 2.830 2.244 2.182 2.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 25 THR HA 1 38 PHE H 5.060 . 5.060 4.661 4.449 4.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 26 VAL H 1 38 PHE H 3.780 . 3.780 2.938 2.827 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 38 PHE HA 1 39 SER H 3.040 . 3.040 2.596 2.503 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 38 PHE QD 1 39 SER H 4.100 . 4.100 3.147 2.882 3.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 38 PHE H 1 39 SER H 4.430 . 4.430 4.360 4.324 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 23 LEU HA 1 40 LEU H 4.910 . 4.910 4.453 4.232 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 24 LEU HA 1 40 LEU H 5.480 . 5.480 4.802 4.705 4.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 40 LEU H 1 41 GLN HA 5.500 . 5.500 4.862 4.702 5.030 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 39 SER HA 1 40 LEU H 2.900 . 2.900 2.260 2.203 2.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 24 LEU H 1 40 LEU H 3.750 . 3.750 2.888 2.741 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 39 SER H 1 40 LEU H 4.570 . 4.570 4.451 4.363 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 40 LEU HA 1 41 GLN H 3.070 . 3.070 2.204 2.121 2.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 42 VAL MG2 1 43 ASP H 4.160 . 4.160 3.546 3.083 3.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 42 VAL MG1 1 43 ASP H 4.380 . 4.380 3.649 3.432 3.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 21 HIS HA 1 44 ALA H 4.180 . 4.180 3.764 3.068 4.193 0.013 23 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 43 ASP HA 1 44 ALA H 2.980 . 2.980 2.448 2.352 2.525 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 45 ASP H 1 46 PHE HB2 4.670 . 4.670 4.301 4.175 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 45 ASP H 1 46 PHE H 3.260 . 3.260 2.656 2.497 2.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 44 ALA H 1 45 ASP H 3.630 . 3.630 2.581 2.361 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 44 ALA HA 1 46 PHE H 4.530 . 4.530 3.796 3.675 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 44 ALA H 1 46 PHE H 4.250 . 4.250 4.058 3.811 4.254 0.004 9 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 46 PHE HA 1 47 GLU H 2.980 . 2.980 2.205 2.126 2.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 46 PHE QD 1 47 GLU H 4.130 . 4.130 3.705 3.496 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 48 LEU H 1 81 SER HA 3.940 . 3.940 3.116 2.852 3.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 47 GLU HA 1 48 LEU H 3.180 . 3.180 2.262 2.216 2.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 48 LEU H 1 80 ARG H 5.040 . 5.040 4.030 3.152 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 48 LEU H 1 49 HIS H 4.030 . 4.030 2.584 2.396 2.710 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 49 HIS HB2 1 50 ASN H 4.520 . 4.520 3.744 3.470 4.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 47 GLU HB2 1 50 ASN H 4.510 . 4.510 2.319 1.774 3.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 50 ASN H 1 51 PHE H 3.300 . 3.300 2.476 2.355 2.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 42 VAL MG1 1 51 PHE H 5.470 . 5.470 5.291 4.940 5.489 0.019 14 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 51 PHE QD 1 52 ARG H 4.460 . 4.460 3.792 3.404 4.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 52 ARG H 1 53 ALA H 3.530 . 3.530 2.645 2.481 2.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 51 PHE H 1 52 ARG H 3.410 . 3.410 2.827 2.714 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 50 ASN HA 1 53 ALA H 3.740 . 3.740 3.403 3.162 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 53 ALA H 1 54 LEU H 3.430 . 3.430 2.559 2.403 2.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 51 PHE H 1 53 ALA H 4.290 . 4.290 4.087 3.887 4.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 56 GLU H 1 57 LEU H 3.460 . 3.460 2.622 2.504 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 57 LEU H 1 58 GLU H 3.350 . 3.350 2.776 2.617 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 58 GLU H 1 59 SER H 3.330 . 3.330 2.641 2.511 2.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 59 SER H 1 60 GLY H 3.270 . 3.270 2.481 2.378 2.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 63 ALA H 1 64 ALA H 4.030 . 4.030 2.590 2.420 2.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 65 GLU H 1 66 SER H 3.410 . 3.410 2.568 2.367 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 74 PRO HA 1 75 LEU H 2.950 . 2.950 2.218 2.148 2.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 67 GLN HA 1 68 ILE H 2.880 . 2.880 2.265 2.064 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 68 ILE HA 1 69 VAL H 3.060 . 3.060 2.153 2.078 2.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 70 TYR H 1 74 PRO HA 4.180 . 4.180 3.525 3.363 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 69 VAL HA 1 70 TYR H 2.970 . 2.970 2.228 2.179 2.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 69 VAL HB 1 70 TYR H 4.300 . 4.300 3.936 2.638 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 70 TYR H 1 73 ARG QB 4.730 . 4.730 3.908 3.603 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 71 ALA H 1 93 VAL HA 4.820 . 4.820 4.479 3.950 4.820 0.000 36 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 70 TYR HA 1 71 ALA H 3.190 . 3.190 2.227 2.177 2.281 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 70 TYR QD 1 71 ALA H 3.820 . 3.820 2.770 2.381 3.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 71 ALA H 1 72 GLU H 3.710 . 3.710 2.811 2.713 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 72 GLU H 1 73 ARG H 3.570 . 3.570 2.914 2.820 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 70 TYR H 1 73 ARG H 3.740 . 3.740 2.966 2.688 3.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 68 ILE H 1 95 LEU HA 4.960 . 4.960 4.837 4.615 4.975 0.015 2 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 79 HIS H 1 80 ARG H 3.740 . 3.740 2.628 2.320 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 83 ALA H 1 84 SER H 3.820 . 3.820 2.702 2.589 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 84 SER H 1 85 TYR H 3.750 . 3.750 2.602 2.495 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 86 GLY H 1 87 LEU HB2 4.630 . 4.630 4.451 4.226 4.641 0.011 2 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 86 GLY H 1 87 LEU H 3.320 . 3.320 2.450 2.269 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 87 LEU HA 1 88 LYS H 2.960 . 2.960 2.238 2.181 2.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 90 GLY H 1 91 ASP H 3.380 . 3.380 2.638 2.464 2.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 91 ASP HA 1 92 VAL H 2.960 . 2.960 2.351 2.158 2.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 92 VAL HA 1 93 VAL H 2.870 . 2.870 2.171 2.088 2.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 26 VAL HA 1 93 VAL H 3.670 . 3.670 2.655 2.619 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 27 TYR H 1 93 VAL H 4.170 . 4.170 3.713 3.526 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 94 ILE H 1 94 ILE HG12 4.260 . 4.260 4.046 3.790 4.273 0.013 14 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 54 LEU H 1 55 CYS H 3.440 . 3.440 2.683 2.565 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 48 LEU HA 1 50 ASN H 5.030 . 5.030 4.314 4.114 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 61 ILE MG 1 97 GLN HE22 4.460 . 4.460 3.454 2.606 4.491 0.031 6 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 61 ILE MG 1 97 GLN HE21 4.460 . 4.460 3.887 2.074 4.502 0.042 20 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 23 LEU H 1 89 ASP H 5.150 . 5.150 4.954 4.508 5.167 0.017 14 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 24 LEU H 1 42 VAL MG2 4.480 . 4.480 3.553 3.206 4.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 96 ARG QG 1 97 GLN H 4.320 . 4.320 4.135 3.614 4.340 0.020 13 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 26 VAL MG1 1 95 LEU H 4.390 . 4.390 3.607 3.115 3.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 93 VAL H 1 94 ILE H 4.890 . 4.890 4.513 4.419 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 94 ILE H 1 94 ILE HG13 4.260 . 4.260 2.864 2.560 3.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 69 VAL MG2 1 94 ILE H 5.500 . 5.500 4.584 2.828 5.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 69 VAL MG1 1 94 ILE H 5.500 . 5.500 4.100 3.123 5.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 30 ARG H 1 33 LEU HA 4.720 . 4.720 4.420 3.993 4.736 0.016 29 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 25 THR H 1 93 VAL H 4.540 . 4.540 3.996 3.845 4.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 92 VAL H 1 93 VAL H 4.610 . 4.610 4.450 4.350 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 25 THR HB 1 93 VAL H 4.310 . 4.310 3.922 3.541 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 92 VAL HB 1 93 VAL H 4.370 . 4.370 4.107 3.967 4.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 24 LEU HG 1 90 GLY H 4.730 . 4.730 4.684 4.163 4.748 0.018 19 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 83 ALA MB 1 87 LEU H 4.900 . 4.900 4.735 4.561 4.912 0.012 1 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 22 MET ME 1 87 LEU H 4.780 . 4.780 4.501 4.205 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 85 TYR HB2 1 87 LEU H 4.650 . 4.650 3.097 2.682 3.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 85 TYR HA 1 87 LEU H 5.010 . 5.010 4.681 4.440 4.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 85 TYR QD 1 86 GLY H 5.100 . 5.100 4.753 4.545 4.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 85 TYR HB3 1 86 GLY H 4.590 . 4.590 4.099 3.950 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 85 TYR HB2 1 86 GLY H 4.590 . 4.590 3.462 3.275 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 83 ALA MB 1 85 TYR H 4.450 . 4.450 4.372 4.307 4.471 0.021 9 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 84 SER H 1 86 GLY H 4.390 . 4.390 3.859 3.773 3.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 82 LEU MD2 1 83 ALA H 5.040 . 5.040 4.774 4.133 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 82 LEU MD1 1 83 ALA H 5.040 . 5.040 4.462 4.258 4.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 44 ALA HA 1 83 ALA H 4.870 . 4.870 4.012 3.591 4.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 81 SER HA 1 83 ALA H 4.670 . 4.670 4.376 4.189 4.644 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 83 ALA H 1 85 TYR QD 5.500 . 5.500 5.367 4.935 5.571 0.071 18 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 80 ARG H 1 81 SER H 4.810 . 4.810 4.570 4.314 4.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 78 ASN HA 1 80 ARG H 4.430 . 4.430 3.666 3.232 4.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 70 TYR H 1 71 ALA H 4.480 . 4.480 4.309 4.235 4.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 69 VAL H 1 95 LEU HA 4.240 . 4.240 3.293 2.940 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 69 VAL H 1 94 ILE HA 4.960 . 4.960 4.830 4.628 4.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 68 ILE H 1 69 VAL H 5.000 . 5.000 4.425 4.350 4.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 69 VAL H 1 95 LEU H 5.440 . 5.440 4.842 4.503 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 66 SER H 1 97 GLN QG 4.930 . 4.930 4.489 3.947 4.945 0.015 35 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 66 SER H 1 67 GLN H 4.620 . 4.620 4.474 4.392 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 62 PRO HB3 1 65 GLU H 4.270 . 4.270 3.874 3.531 4.290 0.020 16 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 64 ALA H 1 65 GLU H 4.330 . 4.330 2.652 2.486 2.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 58 GLU H 1 60 GLY H 4.560 . 4.560 4.074 3.977 4.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 53 ALA MB 1 55 CYS H 4.830 . 4.830 4.564 4.415 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 54 LEU H 1 54 LEU HB3 3.790 . 3.790 3.071 2.490 3.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 44 ALA MB 1 46 PHE H 4.610 . 4.610 4.281 4.182 4.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 47 GLU H 1 50 ASN H 4.620 . 4.620 4.129 3.788 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 47 GLU HB3 1 50 ASN H 4.510 . 4.510 2.891 2.386 4.512 0.002 18 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 49 HIS H 1 78 ASN HA 4.050 . 4.050 3.504 2.814 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 49 HIS H 1 51 PHE H 4.530 . 4.530 3.984 3.826 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 48 LEU H 1 78 ASN HA 4.550 . 4.550 4.136 3.029 4.554 0.004 38 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 47 GLU H 1 81 SER HA 5.500 . 5.500 4.445 4.232 4.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 46 PHE QE 1 47 GLU H 4.890 . 4.890 4.830 4.487 4.942 0.052 9 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 22 MET ME 1 44 ALA H 4.260 . 4.260 4.110 3.776 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 41 GLN QG 1 42 VAL H 4.490 . 4.490 3.795 2.699 4.495 0.005 16 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 40 LEU MD1 1 41 GLN H 4.590 . 4.590 4.642 4.593 4.710 0.120 18 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 40 LEU MD2 1 41 GLN H 4.590 . 4.590 3.171 2.775 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 41 GLN H 1 42 VAL MG1 5.000 . 5.000 3.781 3.476 4.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 40 LEU H 1 41 GLN H 4.510 . 4.510 4.437 4.368 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 41 GLN H 1 42 VAL H 4.510 . 4.510 4.424 4.293 4.515 0.005 3 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 25 THR HA 1 39 SER H 4.890 . 4.890 4.792 4.703 4.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 36 VAL H 1 37 THR H 4.390 . 4.390 4.367 4.305 4.402 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 35 GLU HG2 1 36 VAL H 4.900 . 4.900 4.677 4.061 4.907 0.007 19 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 29 VAL MG2 1 36 VAL H 4.710 . 4.710 4.563 4.191 4.749 0.039 12 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 29 VAL MG1 1 34 SER H 5.400 . 5.400 5.308 4.830 5.445 0.045 3 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 33 LEU H 1 33 LEU HG 4.070 . 4.070 2.897 2.806 2.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 32 ASP HB2 1 33 LEU H 4.560 . 4.560 4.213 3.823 4.551 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 31 ARG H 1 33 LEU H 5.310 . 5.310 4.530 4.264 4.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 31 ARG H 1 32 ASP H 4.250 . 4.250 2.648 2.434 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 32 ASP H 1 32 ASP HB3 4.100 . 4.100 3.020 2.526 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 32 ASP H 1 32 ASP HB2 4.100 . 4.100 2.437 2.049 2.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 30 ARG HB2 1 32 ASP H 4.420 . 4.420 3.560 3.006 4.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 31 ARG H 1 31 ARG QD 4.450 . 4.450 4.213 3.361 4.516 0.066 14 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 94 ILE H 1 95 LEU HB2 5.500 . 5.500 5.392 5.199 5.517 0.017 17 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 28 CYS QB 1 29 VAL H 3.940 . 3.940 3.611 3.040 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 28 CYS H 1 29 VAL H 5.150 . 5.150 4.446 4.300 4.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 28 CYS H 1 36 VAL H 3.670 . 3.670 3.204 3.008 3.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 27 TYR QD 1 28 CYS H 4.350 . 4.350 3.098 2.486 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 28 CYS H 1 37 THR HB 4.700 . 4.700 4.051 3.762 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 28 CYS H 1 37 THR MG 5.350 . 5.350 5.159 4.916 5.367 0.017 39 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 23 LEU H 1 24 LEU H 4.500 . 4.500 4.400 4.257 4.513 0.013 2 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 22 MET H 1 42 VAL MG2 3.940 . 3.940 3.455 3.087 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 22 MET H 1 44 ALA H 5.500 . 5.500 4.790 4.290 5.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 17 ILE MG 1 18 GLU H 4.440 . 4.440 3.583 1.790 4.353 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 51 PHE QD 1 54 LEU H 5.150 . 5.150 5.052 4.798 5.203 0.053 14 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 52 ARG H 1 54 LEU H 4.650 . 4.650 4.179 4.000 4.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 46 PHE QE 1 51 PHE H 4.510 . 4.510 3.366 3.065 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 70 TYR H 1 72 GLU H 4.660 . 4.660 4.235 3.931 4.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 82 LEU H 1 84 SER H 4.680 . 4.680 4.084 4.002 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 54 LEU H 1 56 GLU H 4.600 . 4.600 4.040 3.893 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 55 CYS H 1 56 GLU H 3.350 . 3.350 2.625 2.501 2.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 83 ALA H 1 85 TYR H 4.700 . 4.700 4.141 3.928 4.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 53 ALA H 1 55 CYS H 4.670 . 4.670 4.038 3.820 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 79 HIS HB3 1 80 ARG H 4.540 . 4.540 3.909 2.758 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 27 TYR HA 1 38 PHE H 4.660 . 4.660 3.668 3.508 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 69 VAL HA 1 73 ARG H 4.730 . 4.730 4.518 4.268 4.737 0.007 34 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 46 PHE H 1 47 GLU H 5.030 . 5.030 4.616 4.549 4.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 47 GLU H 1 51 PHE H 5.340 . 5.340 4.717 4.481 4.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 81 SER H 1 84 SER HB2 4.330 . 4.330 2.985 2.592 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 87 LEU H 1 88 LYS H 4.530 . 4.530 4.013 3.862 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 88 LYS H 1 91 ASP HB3 4.550 . 4.550 4.198 3.711 4.553 0.003 39 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 27 TYR H 1 28 CYS H 4.670 . 4.670 4.289 4.158 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 26 VAL H 1 27 TYR H 4.540 . 4.540 4.313 4.214 4.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 25 THR HB 1 26 VAL H 4.550 . 4.550 3.994 3.788 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 27 TYR QB 1 95 LEU H 4.880 . 4.880 3.798 3.524 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 28 CYS QB 1 95 LEU H 5.500 . 5.500 4.528 4.084 4.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 70 TYR HA 1 94 ILE H 4.440 . 4.440 3.448 3.100 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 30 ARG H 1 30 ARG HG3 4.640 . 4.640 3.613 2.887 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 51 PHE HA 1 55 CYS H 4.650 . 4.650 4.076 3.925 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 43 ASP HB3 1 45 ASP H 4.640 . 4.640 2.965 2.340 3.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 63 ALA H 1 65 GLU H 4.640 . 4.640 4.266 4.086 4.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 56 GLU HA 1 59 SER H 4.670 . 4.670 3.631 3.390 3.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 85 TYR HB3 1 87 LEU H 4.650 . 4.650 3.900 3.505 4.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 70 TYR H 1 75 LEU H 4.420 . 4.420 4.163 3.895 4.421 0.001 12 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 32 ASP H 1 34 SER H 4.500 . 4.500 3.487 3.230 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 40 LEU HA 1 40 LEU MD1 4.400 . 4.400 3.856 3.813 3.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 26 VAL HA 1 26 VAL MG1 3.720 . 3.720 2.387 2.334 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 22 MET ME 1 44 ALA HA 3.670 . 3.670 2.165 2.028 2.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 22 MET ME 1 43 ASP HA 4.490 . 4.490 4.436 3.918 4.541 0.051 3 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 61 ILE HB 1 61 ILE MD 3.640 . 3.640 2.362 2.227 2.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 22 MET ME 1 24 LEU HG 4.050 . 4.050 3.043 2.558 4.080 0.030 37 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 22 MET ME 1 42 VAL MG2 3.640 . 3.640 2.223 2.089 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 22 MET ME 1 82 LEU MD1 4.810 . 4.810 2.688 2.111 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 76 THR HA 1 76 THR MG 3.480 . 3.480 2.324 2.210 2.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 23 LEU MD1 1 39 SER HB3 4.420 . 4.420 2.734 2.244 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 69 VAL HA 1 74 PRO HA 3.500 . 3.500 2.128 2.002 2.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 29 VAL HA 1 35 GLU HA 3.740 . 3.740 2.906 2.579 3.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 27 TYR HA 1 37 THR HA 3.740 . 3.740 2.288 2.034 2.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 92 VAL HA 1 92 VAL MG2 3.610 . 3.610 2.459 2.383 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 52 ARG HA 1 68 ILE MD 4.190 . 4.190 3.205 2.591 3.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 68 ILE HA 1 95 LEU HA 3.960 . 3.960 2.207 1.964 2.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 30 ARG HB3 1 31 ARG HA 4.950 . 4.950 4.864 4.698 4.974 0.024 28 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 31 ARG HA 1 31 ARG QG 3.870 . 3.870 2.555 2.253 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 48 LEU HA 1 51 PHE HB3 4.180 . 4.180 2.291 2.133 2.542 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 25 THR HA 1 39 SER HA 3.460 . 3.460 2.153 2.024 2.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 66 SER HA 1 97 GLN HA 3.950 . 3.950 2.458 2.058 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 47 GLU HA 1 81 SER HA 3.680 . 3.680 2.232 1.899 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 50 ASN HA 1 53 ALA MB 3.670 . 3.670 2.645 2.279 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 48 LEU HB2 1 78 ASN HA 3.960 . 3.960 3.045 2.077 3.972 0.012 1 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 48 LEU HB3 1 78 ASN HA 3.960 . 3.960 2.193 1.939 3.019 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 73 ARG HA 1 74 PRO HD2 3.720 . 3.720 2.488 2.318 3.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 73 ARG HA 1 74 PRO HD3 3.720 . 3.720 2.536 2.072 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 45 ASP HA 1 81 SER HB3 4.380 . 4.380 2.862 2.010 3.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 21 HIS HA 1 43 ASP HA 3.850 . 3.850 2.513 1.931 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 40 LEU HA 1 40 LEU MD2 4.400 . 4.400 2.166 2.106 2.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 61 ILE HA 1 62 PRO HD2 3.880 . 3.880 3.086 2.543 3.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 61 ILE HA 1 62 PRO HD3 3.880 . 3.880 2.103 1.994 2.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 54 LEU HA 1 57 LEU HB3 4.440 . 4.440 2.998 2.554 3.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 29 VAL HB 1 96 ARG HA 4.020 . 4.020 2.726 1.975 3.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 61 ILE MG 1 97 GLN HB2 4.620 . 4.620 4.087 3.055 4.632 0.012 14 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 55 CYS HA 1 58 GLU QB 4.340 . 4.340 2.891 2.490 3.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 82 LEU HA 1 87 LEU HG 4.660 . 4.660 4.323 2.868 4.680 0.020 9 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 73 ARG HA 1 74 PRO HG3 4.770 . 4.770 4.653 4.092 4.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 22 MET ME 1 24 LEU MD1 3.810 . 3.810 2.411 2.055 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 54 LEU HA 1 54 LEU MD2 4.440 . 4.440 3.679 2.169 3.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 42 VAL HA 1 42 VAL MG1 3.610 . 3.610 2.337 2.225 2.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 75 LEU HA 1 75 LEU MD2 3.590 . 3.590 2.412 2.083 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 92 VAL HA 1 92 VAL MG1 3.610 . 3.610 2.693 2.342 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 25 THR HA 1 25 THR MG 3.710 . 3.710 2.316 2.234 2.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 26 VAL HA 1 26 VAL MG2 3.750 . 3.750 2.444 2.386 2.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 69 VAL HA 1 69 VAL MG1 3.710 . 3.710 2.655 2.393 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 69 VAL HA 1 69 VAL MG2 3.710 . 3.710 2.541 2.358 3.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 37 THR HA 1 37 THR MG 3.720 . 3.720 3.248 3.233 3.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 25 THR MG 1 26 VAL MG2 4.720 . 4.720 4.337 4.260 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 22 MET ME 1 44 ALA MB 3.700 . 3.700 3.482 3.216 3.662 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 22 MET ME 1 82 LEU HB3 4.160 . 4.160 2.731 2.333 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 22 MET ME 1 87 LEU HB2 4.330 . 4.330 3.410 2.911 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 22 MET ME 1 24 LEU MD2 3.810 . 3.810 2.869 2.362 3.815 0.005 12 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 61 ILE MG 1 97 GLN HB3 4.620 . 4.620 4.068 3.251 4.652 0.032 4 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 68 ILE HA 1 68 ILE MD 4.240 . 4.240 3.817 3.747 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 70 TYR QD 1 75 LEU MD2 4.080 . 4.080 2.680 2.133 3.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 75 LEU MD2 1 85 TYR QD 4.460 . 4.460 2.923 2.724 3.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 27 TYR QE 1 29 VAL MG1 4.580 . 4.580 3.853 3.235 4.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 36 VAL MG2 1 38 PHE QD 3.990 . 3.990 2.745 2.131 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 26 VAL MG2 1 38 PHE QD 4.420 . 4.420 3.789 3.492 4.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 38 PHE QE 1 40 LEU MD1 3.990 . 3.990 2.368 2.164 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 70 TYR HB3 1 75 LEU MD2 4.450 . 4.450 2.295 2.021 2.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 70 TYR HB2 1 75 LEU MD2 4.450 . 4.450 3.166 2.533 3.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 51 PHE QD 1 68 ILE MG 4.800 . 4.800 4.594 4.150 4.950 0.150 21 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 29 VAL MG1 1 35 GLU HA 4.580 . 4.580 4.461 4.161 4.619 0.039 34 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 26 VAL MG2 1 55 CYS HA 4.430 . 4.430 4.005 3.504 4.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 73 ARG HA 1 74 PRO HG2 4.770 . 4.770 4.576 4.435 4.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 68 ILE MG 1 75 LEU MD1 3.670 . 3.670 2.594 2.106 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 68 ILE MD 1 75 LEU MD2 4.270 . 4.270 4.443 4.287 4.623 0.353 18 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 26 VAL MG1 1 95 LEU HB3 4.220 . 4.220 3.371 3.144 3.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 26 VAL MG1 1 95 LEU HB2 4.270 . 4.270 2.955 2.346 3.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 26 VAL MG1 1 27 TYR QB 5.020 . 5.020 4.295 4.120 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 26 VAL MG1 1 28 CYS QB 5.210 . 5.210 3.534 2.877 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 23 LEU MD2 1 39 SER HB2 4.420 . 4.420 3.271 2.300 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 23 LEU MD2 1 39 SER HB3 4.420 . 4.420 3.047 2.639 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 68 ILE MG 1 75 LEU HB2 4.500 . 4.500 2.034 1.959 2.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 68 ILE MG 1 75 LEU HB3 4.500 . 4.500 3.385 3.003 3.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 28 CYS QB 1 95 LEU MD1 4.850 . 4.850 4.081 2.853 4.908 0.058 2 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 27 TYR HA 1 37 THR MG 4.870 . 4.870 4.255 4.102 4.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 54 LEU HA 1 54 LEU MD1 4.440 . 4.440 2.432 2.101 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 26 VAL MG2 1 95 LEU HB2 5.410 . 5.410 5.068 4.591 5.414 0.004 22 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 32 ASP HA 1 33 LEU HG 4.100 . 4.100 3.746 3.491 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 22 MET ME 1 82 LEU MD2 4.810 . 4.810 3.916 2.814 4.705 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 22 MET ME 1 42 VAL MG1 4.440 . 4.440 4.337 4.150 4.497 0.057 14 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 22 MET ME 1 87 LEU HB3 4.110 . 4.110 3.293 2.694 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 22 MET ME 1 82 LEU HB2 4.160 . 4.160 2.481 2.189 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 88 LYS QB 1 89 ASP HA 5.500 . 5.500 4.471 4.321 4.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 69 VAL HB 1 94 ILE MG 5.030 . 5.030 4.253 3.421 5.146 0.116 21 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 23 LEU MD1 1 39 SER HB2 4.420 . 4.420 2.780 2.334 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 30 ARG HA 1 31 ARG HA 4.390 . 4.390 4.354 4.176 4.409 0.019 3 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 29 VAL MG2 1 96 ARG HA 5.020 . 5.020 3.917 3.242 4.467 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 25 THR HB 1 92 VAL HA 3.880 . 3.880 2.511 2.219 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 28 CYS HA 1 29 VAL MG2 4.770 . 4.770 3.520 3.253 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 26 VAL MG1 1 28 CYS HA 4.710 . 4.710 3.902 3.495 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 70 TYR HB2 1 75 LEU MD1 4.210 . 4.210 2.362 2.132 2.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 70 TYR HB3 1 75 LEU MD1 4.210 . 4.210 2.612 2.102 3.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 27 TYR QB 1 94 ILE HA 4.330 . 4.330 2.705 2.507 2.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 45 ASP HA 1 81 SER HB2 4.380 . 4.380 2.356 1.983 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 28 CYS QB 1 95 LEU HB3 4.560 . 4.560 3.191 2.653 3.546 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 28 CYS QB 1 95 LEU MD2 4.850 . 4.850 3.055 2.247 4.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 31 ARG HA 1 31 ARG QD 4.330 . 4.330 3.767 2.018 4.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 95 LEU HA 1 95 LEU HG 4.100 . 4.100 2.585 2.417 3.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 30 ARG HB3 1 30 ARG QD 3.700 . 3.700 2.539 2.051 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 30 ARG HA 1 30 ARG QD 4.340 . 4.340 3.584 2.235 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 70 TYR HA 1 93 VAL HA 4.320 . 4.320 2.989 2.648 3.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 48 LEU HA 1 51 PHE HB2 4.180 . 4.180 2.972 2.692 3.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 54 LEU HA 1 57 LEU HB2 4.440 . 4.440 3.441 2.751 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 27 TYR QD 1 29 VAL MG1 5.500 . 5.500 4.653 4.332 5.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 27 TYR QD 1 94 ILE MG 4.460 . 4.460 3.281 2.362 4.105 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 94 ILE HA 1 94 ILE MG 3.600 . 3.600 2.433 2.355 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 85 TYR HA 1 85 TYR QD 3.140 . 3.140 2.716 2.409 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 85 TYR HA 1 85 TYR QE 4.540 . 4.540 4.529 4.407 4.594 0.054 9 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 82 LEU HA 1 85 TYR QD 3.270 . 3.270 2.624 2.111 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 82 LEU HA 1 85 TYR QE 4.860 . 4.860 4.596 3.947 4.921 0.061 11 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 80 ARG HD2 1 85 TYR QE 4.800 . 4.800 3.435 2.717 4.812 0.012 32 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 80 ARG HD3 1 85 TYR QE 4.800 . 4.800 3.919 3.064 4.831 0.031 1 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 75 LEU MD2 1 85 TYR QE 3.760 . 3.760 2.938 2.707 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 70 TYR QD 1 87 LEU MD1 4.040 . 4.040 3.115 2.570 3.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 80 ARG HB2 1 85 TYR QE 3.840 . 3.840 2.296 2.070 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 80 ARG HB3 1 85 TYR QE 3.840 . 3.840 3.192 2.454 3.857 0.017 38 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 48 LEU HG 1 85 TYR QE 3.370 . 3.370 2.785 2.144 3.404 0.034 17 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 48 LEU HG 1 85 TYR QD 3.860 . 3.860 3.702 3.347 3.888 0.028 1 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 51 PHE HA 1 51 PHE QD 3.310 . 3.310 2.346 2.132 2.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 27 TYR QE 1 35 GLU HB3 4.430 . 4.430 3.498 2.171 4.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 27 TYR QE 1 35 GLU HB2 4.430 . 4.430 2.628 2.168 4.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 27 TYR QE 1 29 VAL MG2 3.310 . 3.310 2.411 1.985 2.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 27 TYR QE 1 37 THR MG 3.830 . 3.830 3.526 3.098 3.914 0.084 7 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 27 TYR QD 1 37 THR HB 4.220 . 4.220 2.512 1.860 3.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 51 PHE QD 1 52 ARG HA 4.480 . 4.480 4.016 3.225 4.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 79 HIS HB2 1 80 ARG H 4.540 . 4.540 3.776 3.080 4.541 0.001 11 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 46 PHE QE 1 51 PHE HA 3.840 . 3.840 2.211 1.980 2.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 42 VAL HA 1 46 PHE QE 4.720 . 4.720 4.457 3.859 4.730 0.010 10 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 46 PHE HA 1 46 PHE QD 3.230 . 3.230 2.652 2.346 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 46 PHE QD 1 51 PHE HA 4.650 . 4.650 3.146 2.796 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 42 VAL HA 1 46 PHE QD 4.300 . 4.300 4.140 3.722 4.321 0.021 20 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 46 PHE QD 1 51 PHE QD 4.230 . 4.230 3.259 2.665 3.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 42 VAL MG1 1 46 PHE QD 3.630 . 3.630 3.045 2.630 3.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 46 PHE QD 1 54 LEU MD1 5.500 . 5.500 4.972 3.665 5.636 0.136 9 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 46 PHE HZ 1 54 LEU MD2 4.470 . 4.470 2.748 2.501 3.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 46 PHE HZ 1 54 LEU MD1 4.470 . 4.470 2.719 2.232 3.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 42 VAL MG1 1 46 PHE QE 3.830 . 3.830 3.242 2.938 3.583 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 42 VAL MG2 1 46 PHE QE 5.500 . 5.500 5.219 4.930 5.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 42 VAL HB 1 46 PHE QD 3.790 . 3.790 3.245 2.886 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 46 PHE QD 1 82 LEU HG 5.360 . 5.360 3.925 3.552 5.366 0.006 12 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 46 PHE QE 1 54 LEU HG 5.500 . 5.500 4.720 2.653 5.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 42 VAL HB 1 46 PHE QE 4.460 . 4.460 4.439 4.218 4.497 0.037 23 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 43 ASP HB3 1 46 PHE QD 4.540 . 4.540 3.167 2.313 4.454 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 46 PHE QD 1 50 ASN HB3 4.520 . 4.520 3.682 2.925 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 43 ASP HB2 1 46 PHE QD 4.540 . 4.540 3.261 2.541 4.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 46 PHE QD 1 50 ASN HB2 4.520 . 4.520 4.147 3.489 4.696 0.176 9 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 70 TYR QE 1 91 ASP HB3 4.410 . 4.410 2.964 2.153 3.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 38 PHE QE 1 55 CYS HA 3.490 . 3.490 2.771 2.387 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 38 PHE HZ 1 55 CYS HA 3.730 . 3.730 3.065 2.492 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 38 PHE HA 1 38 PHE QD 3.740 . 3.740 3.766 3.756 3.840 0.100 9 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 37 THR HA 1 38 PHE QD 4.110 . 4.110 3.317 3.151 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 38 PHE QD 1 39 SER HA 4.690 . 4.690 3.643 3.459 3.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 70 TYR QD 1 87 LEU MD2 4.040 . 4.040 2.861 2.626 3.079 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 70 TYR HA 1 70 TYR QD 3.100 . 3.100 2.627 2.345 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 46 PHE QE 1 51 PHE QD 4.370 . 4.370 3.451 2.869 4.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 70 TYR QE 1 87 LEU MD2 3.960 . 3.960 2.868 2.680 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 70 TYR QE 1 87 LEU MD1 3.960 . 3.960 3.424 2.478 4.167 0.207 21 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 26 VAL HB 1 38 PHE QD 4.220 . 4.220 3.439 3.311 3.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 26 VAL MG2 1 51 PHE QE 4.330 . 4.330 3.029 2.889 3.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 42 VAL MG2 1 51 PHE QE 4.740 . 4.740 3.508 2.618 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 26 VAL MG1 1 38 PHE QD 4.290 . 4.290 4.255 4.059 4.477 0.187 9 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 26 VAL MG1 1 51 PHE QE 4.900 . 4.900 4.229 3.771 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 26 VAL HB 1 38 PHE HZ 4.550 . 4.550 3.450 3.291 3.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 26 VAL MG2 1 38 PHE HZ 4.830 . 4.830 3.875 3.562 4.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 26 VAL MG1 1 38 PHE HZ 3.630 . 3.630 2.673 2.504 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 51 PHE QD 1 82 LEU MD2 4.270 . 4.270 2.744 2.347 3.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 26 VAL MG2 1 38 PHE QE 3.610 . 3.610 2.886 2.579 3.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 26 VAL MG2 1 51 PHE HZ 3.580 . 3.580 2.252 2.055 2.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 26 VAL MG1 1 38 PHE QE 3.890 . 3.890 3.070 2.928 3.234 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 51 PHE QD 1 82 LEU MD1 4.270 . 4.270 2.865 2.284 3.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 38 PHE QE 1 40 LEU MD2 3.990 . 3.990 3.258 2.387 4.023 0.033 21 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 51 PHE QD 1 68 ILE MD 3.590 . 3.590 2.815 2.352 3.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 27 TYR QD 1 29 VAL MG2 3.600 . 3.600 2.450 2.063 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 42 VAL MG1 1 51 PHE QD 3.930 . 3.930 2.067 1.965 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 70 TYR QD 1 71 ALA MB 3.800 . 3.800 3.225 2.798 3.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 36 VAL MG1 1 38 PHE QD 3.990 . 3.990 2.571 2.273 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 38 PHE QD 1 40 LEU MD1 4.240 . 4.240 3.751 3.472 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 38 PHE QD 1 40 LEU MD2 4.240 . 4.240 3.361 2.672 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 51 PHE QE 1 68 ILE MD 3.900 . 3.900 2.475 2.193 3.118 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 51 PHE QE 1 93 VAL MG2 4.840 . 4.840 2.314 2.053 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 70 TYR QE 1 71 ALA MB 3.730 . 3.730 3.186 2.901 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 38 PHE QD 1 40 LEU HG 3.420 . 3.420 2.557 2.333 2.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 24 LEU MD2 1 51 PHE HZ 5.500 . 5.500 4.733 2.766 5.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 38 PHE QE 1 58 GLU QB 3.560 . 3.560 2.816 2.629 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 38 PHE QE 1 40 LEU HG 4.600 . 4.600 2.597 2.366 3.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 70 TYR QE 1 91 ASP HB2 4.410 . 4.410 4.118 3.605 4.515 0.105 9 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 70 TYR QE 1 87 LEU HA 3.910 . 3.910 3.734 3.517 3.917 0.007 20 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 38 PHE QE 1 59 SER HA 3.880 . 3.880 3.354 2.825 3.881 0.001 12 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 48 LEU HA 1 51 PHE QD 4.190 . 4.190 3.655 3.411 4.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 70 TYR HA 1 70 TYR QE 4.900 . 4.900 4.751 4.585 5.049 0.149 9 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 51 PHE QE 1 93 VAL MG1 4.840 . 4.840 2.337 2.061 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 24 LEU HB3 1 51 PHE HZ 4.280 . 4.280 3.357 2.748 4.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 70 TYR QD 1 75 LEU HG 4.920 . 4.920 4.200 3.525 4.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 70 TYR QD 1 73 ARG QB 5.000 . 5.000 4.671 4.062 5.045 0.045 17 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 24 LEU HB2 1 51 PHE HZ 4.280 . 4.280 3.305 2.780 3.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 51 PHE QE 1 93 VAL HB 4.600 . 4.600 3.574 2.784 4.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 36 VAL HB 1 38 PHE QD 5.120 . 5.120 5.122 4.774 5.164 0.044 29 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 46 PHE QD 1 54 LEU MD2 5.500 . 5.500 4.159 3.845 5.583 0.083 27 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 24 LEU MD1 1 51 PHE HZ 5.500 . 5.500 3.008 2.734 5.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 70 TYR QE 1 87 LEU HG 5.500 . 5.500 4.079 2.793 5.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 70 TYR QE 1 87 LEU HB3 5.470 . 5.470 5.335 4.911 5.489 0.019 18 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 46 PHE HZ 1 54 LEU HG 5.500 . 5.500 4.842 2.956 5.509 0.009 29 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 38 PHE HZ 1 55 CYS HB2 4.850 . 4.850 3.577 2.131 4.855 0.005 11 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 28 CYS QB 1 38 PHE QD 5.500 . 5.500 4.239 3.608 4.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 38 PHE HZ 1 55 CYS HB3 4.850 . 4.850 4.089 2.886 4.851 0.001 23 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 70 TYR QE 1 71 ALA HA 5.200 . 5.200 4.900 4.571 5.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 38 PHE HZ 1 59 SER HA 4.600 . 4.600 4.409 4.105 4.610 0.010 25 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 38 PHE QD 1 59 SER HA 5.400 . 5.400 4.509 3.936 5.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 27 TYR QE 1 37 THR HB 4.760 . 4.760 3.456 3.111 3.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 36 VAL HA 1 38 PHE QD 5.450 . 5.450 5.335 4.971 5.464 0.014 13 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 27 TYR QD 1 94 ILE HA 4.580 . 4.580 4.340 3.774 4.609 0.029 25 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 27 TYR QD 1 28 CYS HA 4.750 . 4.750 4.205 3.744 4.799 0.049 33 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 27 TYR QD 1 37 THR HA 5.100 . 5.100 3.864 2.585 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 46 PHE QD 1 48 LEU HA 4.960 . 4.960 4.664 4.316 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 46 PHE HZ 1 51 PHE HA 5.100 . 5.100 4.555 4.235 4.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 38 PHE QD 1 55 CYS HA 5.500 . 5.500 4.990 4.651 5.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 42 VAL HB 1 51 PHE QD 4.840 . 4.840 4.157 3.707 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 42 VAL MG1 1 46 PHE HZ 5.270 . 5.270 4.093 3.579 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 22 MET H 1 22 MET QG 3.580 . 3.580 2.349 1.995 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 22 MET HA 1 89 ASP QB 4.120 . 4.120 3.136 2.122 4.174 0.054 30 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 22 MET QB 1 22 MET ME 4.030 . 4.030 3.269 2.102 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 22 MET QB 1 23 LEU H 3.260 . 3.260 2.461 2.109 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 22 MET QB 1 89 ASP HA 4.110 . 4.110 2.728 2.331 3.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 22 MET QG 1 23 LEU H 4.490 . 4.490 3.621 3.098 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 22 MET QG 1 42 VAL MG2 4.210 . 4.210 2.505 2.059 3.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 22 MET QG 1 44 ALA H 4.750 . 4.750 3.977 3.296 4.804 0.054 16 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 22 MET ME 1 82 LEU QB 3.530 . 3.530 2.293 2.072 2.659 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 22 MET ME 1 82 LEU QD 3.860 . 3.860 2.582 2.092 3.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 22 MET ME 1 87 LEU QD 5.320 . 5.320 4.053 3.679 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 23 LEU H 1 23 LEU QB 3.210 . 3.210 2.430 2.291 2.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 23 LEU H 1 23 LEU QD 4.360 . 4.360 3.909 3.803 4.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 23 LEU H 1 89 ASP QB 4.160 . 4.160 2.680 1.978 3.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 23 LEU HA 1 23 LEU QD 3.680 . 3.680 2.263 2.177 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 23 LEU HG 1 39 SER QB 4.490 . 4.490 2.475 2.213 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 23 LEU QD 1 24 LEU H 3.770 . 3.770 2.991 2.753 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 23 LEU QD 1 39 SER QB 3.260 . 3.260 2.209 2.061 2.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 23 LEU QD 1 40 LEU H 3.730 . 3.730 3.313 3.095 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 23 LEU QD 1 41 GLN H 4.410 . 4.410 3.624 3.382 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 23 LEU QD 1 41 GLN HA 3.800 . 3.800 2.672 2.389 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 23 LEU QD 1 41 GLN QG 4.040 . 4.040 3.142 2.113 4.112 0.072 17 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 24 LEU H 1 24 LEU QB 3.420 . 3.420 2.550 2.332 2.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 24 LEU H 1 24 LEU QD 4.450 . 4.450 3.559 3.023 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 24 LEU HA 1 24 LEU QD 3.480 . 3.480 2.150 2.056 2.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 24 LEU QB 1 25 THR H 3.510 . 3.510 2.686 2.512 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 24 LEU QB 1 51 PHE QE 4.380 . 4.380 3.005 2.700 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 24 LEU QB 1 51 PHE HZ 3.620 . 3.620 2.954 2.559 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 24 LEU QD 1 25 THR H 3.760 . 3.760 3.379 3.111 3.822 0.062 37 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 24 LEU QD 1 42 VAL H 5.280 . 5.280 4.787 3.987 5.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 24 LEU QD 1 42 VAL MG2 3.920 . 3.920 2.227 2.093 2.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 24 LEU QD 1 51 PHE QD 4.710 . 4.710 3.704 3.461 4.111 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 24 LEU QD 1 51 PHE QE 3.700 . 3.700 2.756 2.376 3.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 24 LEU QD 1 51 PHE HZ 4.620 . 4.620 2.924 2.711 3.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 24 LEU QD 1 70 TYR QE 5.440 . 5.440 4.806 4.505 5.472 0.032 37 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 24 LEU QD 1 82 LEU QD 4.440 . 4.440 1.982 1.843 2.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 24 LEU QD 1 87 LEU HA 4.480 . 4.480 3.434 3.196 3.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 24 LEU QD 1 87 LEU HB3 4.800 . 4.800 2.063 1.975 2.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 24 LEU QD 1 87 LEU QD 3.630 . 3.630 2.075 1.953 2.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 24 LEU QD 1 88 LYS H 4.180 . 4.180 3.908 3.579 4.227 0.047 37 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 24 LEU QD 1 90 GLY H 4.200 . 4.200 2.890 2.565 3.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 24 LEU QD 1 91 ASP H 3.450 . 3.450 2.675 2.440 3.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 24 LEU QD 1 91 ASP QB 4.010 . 4.010 2.363 2.133 3.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 24 LEU QD 1 93 VAL QG 4.510 . 4.510 2.785 2.467 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 25 THR H 1 92 VAL QG 4.230 . 4.230 3.676 3.331 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 25 THR H 1 93 VAL QG 5.190 . 5.190 4.088 3.504 5.199 0.009 36 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 25 THR HB 1 92 VAL QG 3.780 . 3.780 2.156 1.901 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 26 VAL H 1 92 VAL QG 4.850 . 4.850 4.157 3.833 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 26 VAL H 1 93 VAL QG 5.410 . 5.410 4.815 4.237 5.440 0.030 32 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 26 VAL HA 1 93 VAL QG 4.290 . 4.290 2.938 2.116 3.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 26 VAL MG1 1 95 LEU QD 3.420 . 3.420 3.046 2.294 3.537 0.117 39 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 26 VAL MG2 1 40 LEU QD 5.060 . 5.060 2.319 2.104 2.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 27 TYR H 1 92 VAL QG 3.970 . 3.970 3.292 2.953 3.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 27 TYR H 1 93 VAL QG 4.350 . 4.350 3.757 3.034 4.394 0.044 35 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 27 TYR QB 1 92 VAL QG 4.150 . 4.150 2.756 2.487 3.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 27 TYR QD 1 92 VAL QG 5.190 . 5.190 3.807 2.866 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 27 TYR QD 1 94 ILE QG 4.960 . 4.960 3.732 2.299 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 28 CYS H 1 36 VAL QG 4.370 . 4.370 3.225 3.065 3.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 28 CYS HA 1 36 VAL QG 5.200 . 5.200 4.644 4.466 4.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 28 CYS HA 1 95 LEU QD 4.390 . 4.390 3.126 2.648 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 28 CYS QB 1 36 VAL QG 3.770 . 3.770 2.178 1.990 2.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 28 CYS QB 1 95 LEU QD 3.990 . 3.990 2.774 2.233 3.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 29 VAL HA 1 35 GLU QB 4.180 . 4.180 2.260 1.983 3.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 30 ARG H 1 30 ARG QG 3.840 . 3.840 3.248 2.795 3.908 0.068 19 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 30 ARG QG 1 97 GLN QB 4.850 . 4.850 2.574 1.982 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 30 ARG QD 1 97 GLN QB 4.520 . 4.520 3.375 2.057 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 32 ASP QB 1 34 SER H 4.600 . 4.600 3.219 2.812 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 33 LEU H 1 33 LEU QB 3.670 . 3.670 3.376 3.330 3.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 33 LEU H 1 33 LEU QD 3.630 . 3.630 2.871 2.584 2.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 33 LEU HA 1 33 LEU QD 3.520 . 3.520 2.161 2.109 2.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 33 LEU QD 1 34 SER H 4.780 . 4.780 4.356 4.256 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 35 GLU H 1 35 GLU QB 3.500 . 3.500 2.527 2.419 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 35 GLU H 1 35 GLU QG 4.110 . 4.110 2.085 1.837 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 35 GLU QB 1 36 VAL H 3.630 . 3.630 2.674 2.484 2.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 35 GLU QG 1 36 VAL H 4.230 . 4.230 3.886 3.713 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 36 VAL H 1 36 VAL QG 3.690 . 3.690 2.427 2.356 2.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 36 VAL QG 1 37 THR H 3.500 . 3.500 2.220 2.092 2.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 36 VAL QG 1 38 PHE QD 3.410 . 3.410 2.328 2.105 2.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 36 VAL QG 1 38 PHE QE 3.530 . 3.530 2.724 2.336 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 38 PHE QB 1 39 SER H 3.320 . 3.320 2.271 2.123 2.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 38 PHE QD 1 40 LEU QB 4.540 . 4.540 4.414 4.204 4.702 0.162 9 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 38 PHE QD 1 40 LEU QD 3.720 . 3.720 3.089 2.624 3.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 38 PHE QD 1 58 GLU QG 4.170 . 4.170 2.990 2.465 3.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 38 PHE QE 1 40 LEU QB 4.340 . 4.340 4.269 3.879 4.449 0.109 9 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 38 PHE QE 1 40 LEU QD 3.060 . 3.060 2.297 2.074 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 38 PHE QE 1 55 CYS QB 4.290 . 4.290 3.524 2.617 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 38 PHE QE 1 58 GLU QG 4.080 . 4.080 3.107 2.774 3.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 38 PHE QE 1 59 SER QB 3.820 . 3.820 2.724 2.242 3.846 0.026 21 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 38 PHE HZ 1 55 CYS QB 4.020 . 4.020 3.138 2.120 4.041 0.021 16 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 38 PHE HZ 1 59 SER QB 3.990 . 3.990 2.866 2.218 4.045 0.055 21 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 38 PHE HZ 1 95 LEU QD 4.970 . 4.970 3.888 3.016 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 39 SER H 1 39 SER QB 3.550 . 3.550 2.733 2.560 3.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 39 SER QB 1 40 LEU H 3.550 . 3.550 2.704 2.601 2.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 40 LEU H 1 40 LEU QB 3.330 . 3.330 2.494 2.349 2.630 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 40 LEU H 1 40 LEU QD 4.520 . 4.520 3.688 3.549 3.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 40 LEU HA 1 40 LEU QD 3.610 . 3.610 2.155 2.097 2.229 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 40 LEU QD 1 41 GLN H 3.890 . 3.890 3.114 2.754 3.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 40 LEU QD 1 54 LEU H 4.910 . 4.910 4.447 4.143 4.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 40 LEU QD 1 55 CYS H 4.020 . 4.020 3.224 2.916 3.460 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 40 LEU QD 1 55 CYS QB 4.040 . 4.040 2.863 2.193 3.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 40 LEU QD 1 56 GLU H 5.440 . 5.440 4.744 4.518 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 41 GLN H 1 41 GLN QB 3.290 . 3.290 2.565 2.309 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 43 ASP H 1 43 ASP QB 3.280 . 3.280 2.311 2.227 2.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 43 ASP QB 1 44 ALA H 4.000 . 4.000 3.142 2.451 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 43 ASP QB 1 45 ASP H 3.840 . 3.840 2.908 2.307 3.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 43 ASP QB 1 46 PHE QD 3.910 . 3.910 2.757 2.219 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 43 ASP QB 1 46 PHE QE 5.340 . 5.340 4.528 3.993 5.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 45 ASP H 1 45 ASP QB 3.150 . 3.150 2.309 2.072 2.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 45 ASP HA 1 81 SER QB 3.780 . 3.780 2.130 1.950 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 46 PHE H 1 82 LEU QD 4.290 . 4.290 3.722 3.195 4.317 0.027 16 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 46 PHE HB2 1 82 LEU QD 4.220 . 4.220 3.295 2.782 3.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 46 PHE QD 1 50 ASN QB 3.930 . 3.930 3.263 2.892 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 46 PHE QD 1 51 PHE QB 3.780 . 3.780 2.339 2.204 2.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 46 PHE QD 1 54 LEU QD 4.260 . 4.260 3.831 3.616 4.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 46 PHE QD 1 82 LEU QD 3.440 . 3.440 2.582 2.223 3.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 46 PHE QE 1 54 LEU QD 3.530 . 3.530 2.422 2.147 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 46 PHE QE 1 82 LEU QD 5.440 . 5.440 4.221 3.857 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 46 PHE HZ 1 54 LEU QB 5.340 . 5.340 3.887 2.883 5.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 46 PHE HZ 1 54 LEU QD 3.730 . 3.730 2.386 2.098 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 47 GLU H 1 47 GLU QB 3.450 . 3.450 2.411 2.086 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 47 GLU H 1 47 GLU QG 3.570 . 3.570 2.431 1.976 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 47 GLU H 1 50 ASN QB 4.070 . 4.070 3.126 2.855 3.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 47 GLU H 1 50 ASN QD 4.420 . 4.420 3.479 2.527 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 47 GLU QB 1 48 LEU H 3.310 . 3.310 2.783 2.529 3.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 47 GLU QB 1 49 HIS H 4.050 . 4.050 2.263 2.010 2.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 47 GLU QB 1 50 ASN H 3.870 . 3.870 2.197 1.745 3.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 47 GLU QB 1 50 ASN QB 4.000 . 4.000 2.531 2.016 4.188 0.188 18 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 48 LEU H 1 48 LEU QB 3.100 . 3.100 2.101 2.000 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 48 LEU H 1 49 HIS QB 5.340 . 5.340 4.302 4.136 4.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 48 LEU H 1 51 PHE QB 5.340 . 5.340 4.528 4.432 4.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 48 LEU HA 1 48 LEU QD 3.620 . 3.620 2.093 1.885 2.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 48 LEU HA 1 51 PHE QB 3.670 . 3.670 2.217 2.075 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 48 LEU QB 1 49 HIS H 3.390 . 3.390 2.762 2.533 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 48 LEU QB 1 78 ASN HA 3.460 . 3.460 2.098 1.912 2.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 48 LEU QB 1 80 ARG H 4.550 . 4.550 3.433 2.843 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 48 LEU QB 1 85 TYR QD 5.180 . 5.180 4.171 3.047 5.202 0.022 26 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 48 LEU QB 1 85 TYR QE 4.190 . 4.190 2.957 2.013 3.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 48 LEU QD 1 50 ASN H 5.400 . 5.400 5.011 4.676 5.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 48 LEU QD 1 51 PHE H 4.360 . 4.360 4.096 3.858 4.450 0.090 9 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 48 LEU QD 1 51 PHE QD 3.890 . 3.890 2.298 2.058 2.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 48 LEU QD 1 52 ARG H 4.100 . 4.100 3.406 2.955 4.070 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 48 LEU QD 1 78 ASN HA 4.340 . 4.340 2.702 2.045 3.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 48 LEU QD 1 82 LEU QD 3.730 . 3.730 2.332 1.918 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 48 LEU QD 1 85 TYR QD 3.980 . 3.980 3.248 2.083 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 48 LEU QD 1 85 TYR QE 3.260 . 3.260 2.508 2.008 3.369 0.109 18 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 49 HIS H 1 49 HIS QB 3.190 . 3.190 2.195 2.076 2.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 49 HIS H 1 50 ASN QB 4.990 . 4.990 4.595 4.271 4.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 49 HIS H 1 51 PHE QB 5.280 . 5.280 4.688 4.502 4.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 49 HIS H 1 78 ASN QB 3.800 . 3.800 3.243 2.863 3.805 0.005 25 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 49 HIS QB 1 50 ASN H 3.850 . 3.850 2.491 2.329 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 49 HIS QB 1 78 ASN QB 3.600 . 3.600 2.341 1.981 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 50 ASN H 1 50 ASN QB 3.170 . 3.170 2.251 2.002 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 50 ASN HA 1 50 ASN QD 4.370 . 4.370 3.878 3.432 4.083 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 50 ASN QB 1 51 PHE H 3.370 . 3.370 2.716 2.500 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 51 PHE H 1 52 ARG QG 4.410 . 4.410 4.336 4.095 4.430 0.020 22 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 51 PHE H 1 82 LEU QD 5.200 . 5.200 3.940 3.403 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 51 PHE HA 1 54 LEU QB 4.160 . 4.160 2.596 2.375 2.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 51 PHE QB 1 52 ARG H 3.490 . 3.490 2.514 2.407 2.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 51 PHE QB 1 82 LEU QD 4.050 . 4.050 2.123 1.918 2.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 51 PHE QD 1 54 LEU QB 3.980 . 3.980 3.491 2.980 3.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 51 PHE QD 1 54 LEU QD 4.200 . 4.200 3.130 2.505 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 51 PHE QD 1 55 CYS QB 5.340 . 5.340 4.494 4.033 5.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 51 PHE QD 1 82 LEU QD 3.550 . 3.550 2.458 2.227 2.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 51 PHE QD 1 93 VAL QG 4.220 . 4.220 3.659 3.276 3.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 51 PHE QE 1 93 VAL QG 3.420 . 3.420 2.042 1.935 2.340 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 51 PHE HZ 1 93 VAL QG 4.080 . 4.080 2.620 2.295 3.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 52 ARG H 1 52 ARG QD 4.610 . 4.610 4.031 3.412 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 52 ARG HA 1 55 CYS QB 4.130 . 4.130 3.010 2.149 4.133 0.003 38 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 52 ARG QB 1 53 ALA H 4.020 . 4.020 3.486 2.224 3.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 52 ARG QG 1 53 ALA H 3.740 . 3.740 2.698 2.307 3.940 0.200 29 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 52 ARG QD 1 53 ALA H 4.770 . 4.770 4.257 2.930 4.786 0.016 2 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 53 ALA HA 1 56 GLU QB 4.030 . 4.030 2.460 2.111 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 54 LEU H 1 54 LEU QB 2.940 . 2.940 2.164 2.008 2.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 54 LEU H 1 54 LEU QD 3.760 . 3.760 3.153 2.538 3.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 54 LEU HA 1 54 LEU QD 3.420 . 3.420 2.247 2.092 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 54 LEU HA 1 57 LEU QB 3.760 . 3.760 2.809 2.408 3.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 54 LEU QB 1 55 CYS H 3.350 . 3.350 2.608 2.447 2.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 54 LEU QB 1 56 GLU H 5.340 . 5.340 4.619 4.440 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 54 LEU QD 1 55 CYS H 4.490 . 4.490 4.049 3.933 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 55 CYS H 1 55 CYS QB 3.180 . 3.180 2.396 2.186 2.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 55 CYS QB 1 56 GLU H 3.790 . 3.790 3.031 2.457 3.707 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 55 CYS QB 1 58 GLU H 5.340 . 5.340 4.955 4.695 5.236 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 55 CYS QB 1 95 LEU QD 4.200 . 4.200 2.976 2.035 3.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 56 GLU H 1 57 LEU QB 5.340 . 5.340 4.305 4.193 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 56 GLU H 1 95 LEU QD 5.440 . 5.440 4.515 3.604 5.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 56 GLU QG 1 60 GLY H 4.720 . 4.720 4.397 4.074 4.812 0.092 24 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 57 LEU H 1 57 LEU QD 4.230 . 4.230 3.697 3.644 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 57 LEU HA 1 57 LEU QD 3.670 . 3.670 2.319 2.163 3.110 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 57 LEU QB 1 58 GLU H 3.590 . 3.590 2.413 2.317 2.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 57 LEU QD 1 58 GLU H 4.600 . 4.600 3.703 3.104 3.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 58 GLU H 1 58 GLU QG 4.110 . 4.110 3.049 2.213 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 58 GLU QG 1 59 SER H 4.770 . 4.770 4.093 3.795 4.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 59 SER H 1 59 SER QB 3.590 . 3.590 2.453 2.265 2.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 59 SER QB 1 60 GLY H 4.070 . 4.070 3.231 2.830 3.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 59 SER QB 1 61 ILE H 4.370 . 4.370 3.073 2.408 3.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 59 SER QB 1 95 LEU QD 3.930 . 3.930 3.260 2.586 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 61 ILE H 1 61 ILE QG 3.530 . 3.530 2.204 1.879 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
945 1 61 ILE HA 1 62 PRO QD 3.380 . 3.380 2.064 1.970 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 61 ILE HB 1 97 GLN QE 4.680 . 4.680 2.634 1.824 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 61 ILE MG 1 62 PRO QD 4.140 . 4.140 3.233 2.262 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 61 ILE MG 1 97 GLN QB 3.840 . 3.840 3.602 2.890 3.953 0.113 29 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 61 ILE MG 1 97 GLN QE 3.760 . 3.760 3.113 2.047 3.882 0.122 16 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 61 ILE MD 1 97 GLN QB 4.190 . 4.190 2.361 2.011 4.203 0.013 2 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 62 PRO QB 1 63 ALA H 3.820 . 3.820 3.354 3.102 3.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
952 1 64 ALA H 1 65 GLU QB 4.980 . 4.980 4.677 4.411 4.996 0.016 13 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 64 ALA H 1 65 GLU QG 4.640 . 4.640 4.215 3.818 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 65 GLU H 1 65 GLU QB 3.530 . 3.530 2.397 2.303 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 65 GLU H 1 66 SER QB 4.590 . 4.590 4.031 3.551 4.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 65 GLU HA 1 65 GLU QG 3.700 . 3.700 2.616 2.386 3.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 65 GLU QB 1 66 SER H 4.130 . 4.130 3.619 3.353 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 65 GLU QB 1 97 GLN QG 4.120 . 4.120 2.813 2.264 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 65 GLU QB 1 97 GLN QE 5.180 . 5.180 2.587 1.831 4.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 66 SER H 1 66 SER QB 3.510 . 3.510 2.857 2.524 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 66 SER QB 1 67 GLN H 3.540 . 3.540 2.554 2.100 3.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 66 SER QB 1 95 LEU QD 3.800 . 3.800 2.271 1.991 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 67 GLN H 1 67 GLN QB 3.480 . 3.480 2.658 2.376 3.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 67 GLN H 1 67 GLN QG 4.150 . 4.150 3.236 2.251 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 67 GLN H 1 95 LEU QD 4.130 . 4.130 3.568 2.857 4.072 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 67 GLN H 1 96 ARG QB 4.590 . 4.590 3.450 3.075 3.739 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 67 GLN HA 1 67 GLN QE 4.590 . 4.590 3.582 2.525 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 67 GLN QB 1 68 ILE H 3.720 . 3.720 2.912 2.532 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 67 GLN QB 1 68 ILE MG 4.700 . 4.700 4.438 4.101 5.023 0.323 21 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 67 GLN QG 1 68 ILE H 4.570 . 4.570 3.862 2.272 4.592 0.022 23 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 67 GLN QE 1 68 ILE H 4.380 . 4.380 4.255 3.026 4.479 0.099 27 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 68 ILE H 1 68 ILE QG 4.660 . 4.660 4.067 3.979 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 68 ILE H 1 95 LEU QD 5.260 . 5.260 4.528 3.559 5.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 68 ILE HA 1 95 LEU QD 4.600 . 4.600 3.447 2.531 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 68 ILE MG 1 75 LEU QB 3.700 . 3.700 2.018 1.935 2.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 68 ILE QG 1 75 LEU MD1 4.490 . 4.490 2.120 1.998 2.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 68 ILE QG 1 95 LEU HA 4.760 . 4.760 3.125 2.675 3.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 69 VAL H 1 69 VAL QG 3.690 . 3.690 2.549 2.203 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 69 VAL QG 1 70 TYR H 3.400 . 3.400 2.644 2.378 3.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 69 VAL QG 1 72 GLU H 3.570 . 3.570 2.957 2.667 3.632 0.062 4 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 69 VAL QG 1 72 GLU HA 3.730 . 3.730 2.511 2.275 3.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 69 VAL QG 1 73 ARG H 3.720 . 3.720 2.919 2.551 3.801 0.081 30 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 69 VAL QG 1 73 ARG HA 5.000 . 5.000 3.390 3.034 4.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 69 VAL QG 1 74 PRO HA 3.700 . 3.700 2.339 1.948 2.732 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 69 VAL QG 1 74 PRO QG 5.280 . 5.280 4.074 2.619 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 69 VAL QG 1 75 LEU H 4.280 . 4.280 3.800 3.331 4.284 0.004 12 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 69 VAL QG 1 94 ILE H 4.350 . 4.350 3.624 2.812 4.133 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 69 VAL QG 1 94 ILE HB 4.010 . 4.010 2.826 1.982 3.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 69 VAL QG 1 96 ARG H 4.350 . 4.350 4.170 3.696 4.430 0.080 27 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 69 VAL QG 1 96 ARG QD 4.680 . 4.680 3.148 2.159 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 70 TYR H 1 70 TYR QB 3.320 . 3.320 2.565 2.482 2.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 70 TYR QB 1 73 ARG H 4.920 . 4.920 4.480 4.282 4.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 70 TYR QB 1 75 LEU MD2 3.860 . 3.860 2.235 2.000 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 70 TYR QB 1 87 LEU QD 5.280 . 5.280 2.736 2.488 2.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 70 TYR QD 1 87 LEU QD 3.240 . 3.240 2.607 2.408 2.790 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 70 TYR QD 1 93 VAL QG 3.600 . 3.600 2.775 2.356 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 70 TYR QE 1 85 TYR QB 5.040 . 5.040 2.954 2.154 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 70 TYR QE 1 87 LEU QD 3.310 . 3.310 2.633 2.337 2.934 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 70 TYR QE 1 91 ASP QB 3.570 . 3.570 2.882 2.137 3.602 0.032 6 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 72 GLU H 1 72 GLU QG 3.620 . 3.620 2.754 2.681 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 72 GLU HA 1 72 GLU QG 3.720 . 3.720 2.397 2.302 2.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 73 ARG H 1 74 PRO QD 4.970 . 4.970 4.537 4.436 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 73 ARG HA 1 74 PRO QD 3.230 . 3.230 2.221 2.039 2.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 73 ARG QB 1 74 PRO QD 4.400 . 4.400 2.730 2.441 3.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 74 PRO QB 1 75 LEU H 3.880 . 3.880 2.997 2.873 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 74 PRO QB 1 76 THR MG 3.730 . 3.730 2.432 2.069 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1007 1 74 PRO QG 1 76 THR MG 4.880 . 4.880 2.732 2.178 3.849 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 74 PRO QD 1 75 LEU H 4.960 . 4.960 4.990 4.966 5.005 0.045 19 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 75 LEU H 1 75 LEU QB 3.170 . 3.170 2.390 2.180 2.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 78 ASN QB 1 79 HIS H 4.400 . 4.400 3.522 2.748 3.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 78 ASN QB 1 80 ARG H 5.340 . 5.340 4.740 4.407 5.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1012 1 80 ARG H 1 80 ARG QB 3.370 . 3.370 2.371 2.068 2.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 80 ARG H 1 80 ARG QD 5.340 . 5.340 4.101 3.701 4.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1014 1 80 ARG HA 1 80 ARG QG 3.700 . 3.700 2.363 2.210 2.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1015 1 80 ARG QB 1 80 ARG QD 3.330 . 3.330 2.114 2.009 2.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 1 80 ARG QB 1 81 SER H 3.850 . 3.850 2.784 2.341 3.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1017 1 80 ARG QB 1 85 TYR QE 3.330 . 3.330 2.226 2.051 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1018 1 80 ARG QG 1 81 SER H 3.910 . 3.910 3.743 3.074 3.952 0.042 20 0 "[ . 1 . 2 . 3 . 4]" 1
1019 1 80 ARG QG 1 85 TYR QE 4.930 . 4.930 4.068 3.499 4.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1020 1 80 ARG QD 1 85 TYR QE 3.980 . 3.980 3.095 2.630 3.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1021 1 81 SER H 1 81 SER QB 3.360 . 3.360 2.641 2.424 2.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1022 1 81 SER H 1 84 SER QB 3.680 . 3.680 2.829 2.466 3.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1023 1 81 SER QB 1 82 LEU H 3.410 . 3.410 2.471 2.316 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1024 1 81 SER QB 1 83 ALA H 4.170 . 4.170 2.860 2.661 3.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1025 1 82 LEU H 1 82 LEU QB 3.230 . 3.230 2.380 2.143 2.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1026 1 82 LEU H 1 82 LEU QD 3.440 . 3.440 2.943 2.012 3.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1027 1 82 LEU HA 1 82 LEU QD 3.650 . 3.650 2.163 2.065 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1028 1 82 LEU HA 1 87 LEU QD 4.180 . 4.180 2.786 2.416 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1029 1 82 LEU QB 1 83 ALA H 3.370 . 3.370 2.644 2.511 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1030 1 82 LEU QB 1 87 LEU QD 5.020 . 5.020 2.941 2.381 3.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1031 1 82 LEU QD 1 83 ALA H 4.220 . 4.220 4.089 3.912 4.176 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1032 1 82 LEU QD 1 85 TYR QE 5.360 . 5.360 4.477 3.983 5.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1033 1 82 LEU QD 1 87 LEU HB3 5.070 . 5.070 3.304 2.698 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1034 1 82 LEU QD 1 87 LEU HG 4.520 . 4.520 3.352 2.027 4.559 0.039 9 0 "[ . 1 . 2 . 3 . 4]" 1
1035 1 82 LEU QD 1 87 LEU QD 4.240 . 4.240 2.319 1.952 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1036 1 83 ALA H 1 87 LEU QD 5.440 . 5.440 5.163 4.926 5.503 0.063 38 0 "[ . 1 . 2 . 3 . 4]" 1
1037 1 84 SER H 1 84 SER QB 3.300 . 3.300 2.423 2.070 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1038 1 84 SER QB 1 85 TYR H 3.930 . 3.930 3.127 2.936 3.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1039 1 85 TYR H 1 85 TYR QB 3.120 . 3.120 2.317 2.218 2.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1040 1 85 TYR H 1 87 LEU QD 3.910 . 3.910 3.831 3.600 4.059 0.149 9 0 "[ . 1 . 2 . 3 . 4]" 1
1041 1 85 TYR QB 1 86 GLY H 3.930 . 3.930 3.287 3.132 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1042 1 85 TYR QB 1 87 LEU H 4.090 . 4.090 2.980 2.601 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1043 1 85 TYR QB 1 87 LEU QD 3.740 . 3.740 2.114 1.938 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1044 1 85 TYR QD 1 87 LEU QD 3.920 . 3.920 3.242 2.518 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1045 1 85 TYR QE 1 87 LEU QD 5.440 . 5.440 4.683 4.065 5.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1046 1 86 GLY QA 1 88 LYS H 4.650 . 4.650 4.031 3.927 4.195 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1047 1 87 LEU H 1 87 LEU QD 3.460 . 3.460 2.917 2.400 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1048 1 87 LEU HA 1 87 LEU QD 3.690 . 3.690 2.085 1.950 2.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1049 1 87 LEU QD 1 88 LYS H 4.270 . 4.270 3.728 3.527 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1050 1 87 LEU QD 1 93 VAL QG 4.090 . 4.090 2.008 1.935 2.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1051 1 88 LYS H 1 91 ASP QB 3.840 . 3.840 3.152 2.775 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1052 1 88 LYS QG 1 89 ASP H 4.700 . 4.700 3.820 3.246 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1053 1 89 ASP H 1 89 ASP QB 2.990 . 2.990 2.529 2.147 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1054 1 89 ASP QB 1 90 GLY H 3.880 . 3.880 3.298 3.051 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1055 1 90 GLY H 1 91 ASP QB 4.440 . 4.440 4.443 4.223 4.497 0.057 17 0 "[ . 1 . 2 . 3 . 4]" 1
1056 1 91 ASP H 1 91 ASP QB 3.050 . 3.050 2.207 2.123 2.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1057 1 91 ASP QB 1 92 VAL H 3.470 . 3.470 2.782 2.423 3.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1058 1 92 VAL H 1 92 VAL QG 3.350 . 3.350 2.402 2.076 2.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1059 1 92 VAL QG 1 93 VAL H 3.290 . 3.290 2.546 2.374 2.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1060 1 92 VAL QG 1 93 VAL HA 3.970 . 3.970 3.656 3.400 3.850 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1061 1 93 VAL H 1 93 VAL QG 3.590 . 3.590 2.305 2.037 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1062 1 93 VAL QG 1 94 ILE H 3.790 . 3.790 2.811 2.357 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1063 1 95 LEU HA 1 95 LEU QD 3.750 . 3.750 2.834 2.165 3.147 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1064 1 95 LEU QD 1 96 ARG H 3.520 . 3.520 2.873 2.230 3.358 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1065 1 95 LEU QD 1 96 ARG HA 5.180 . 5.180 3.624 3.028 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1066 1 95 LEU QD 1 97 GLN H 4.570 . 4.570 3.670 2.889 4.641 0.071 24 0 "[ . 1 . 2 . 3 . 4]" 1
1067 1 96 ARG H 1 96 ARG QB 3.450 . 3.450 2.567 2.399 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1068 1 96 ARG QB 1 97 GLN H 3.900 . 3.900 3.350 3.117 3.602 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1069 1 97 GLN H 1 97 GLN QB 3.170 . 3.170 2.464 2.191 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1070 1 97 GLN QB 1 97 GLN QE 3.840 . 3.840 3.418 2.630 3.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 345
_Distance_constraint_stats_list.Viol_total 293.779
_Distance_constraint_stats_list.Viol_max 0.257
_Distance_constraint_stats_list.Viol_rms 0.0150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0213
_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 22 MET 0.144 0.031 15 0 "[ . 1 . 2 . 3 . 4]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 25 THR 0.044 0.017 9 0 "[ . 1 . 2 . 3 . 4]"
1 26 VAL 0.227 0.016 11 0 "[ . 1 . 2 . 3 . 4]"
1 27 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 38 PHE 0.227 0.016 11 0 "[ . 1 . 2 . 3 . 4]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 42 VAL 0.144 0.031 15 0 "[ . 1 . 2 . 3 . 4]"
1 47 GLU 0.013 0.009 38 0 "[ . 1 . 2 . 3 . 4]"
1 50 ASN 0.185 0.027 9 0 "[ . 1 . 2 . 3 . 4]"
1 51 PHE 0.094 0.013 17 0 "[ . 1 . 2 . 3 . 4]"
1 54 LEU 0.185 0.027 9 0 "[ . 1 . 2 . 3 . 4]"
1 55 CYS 0.081 0.013 17 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.669 0.055 9 0 "[ . 1 . 2 . 3 . 4]"
1 60 GLY 0.669 0.055 9 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 82 LEU 2.565 0.216 9 0 "[ . 1 . 2 . 3 . 4]"
1 85 TYR 0.836 0.044 14 0 "[ . 1 . 2 . 3 . 4]"
1 86 GLY 2.402 0.257 9 0 "[ . 1 . 2 . 3 . 4]"
1 87 LEU 1.729 0.216 9 0 "[ . 1 . 2 . 3 . 4]"
1 88 LYS 3.417 0.257 9 0 "[ . 1 . 2 . 3 . 4]"
1 91 ASP 1.059 0.116 9 0 "[ . 1 . 2 . 3 . 4]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 94 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 96 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 THR H 1 91 ASP O 2.000 . 2.000 1.920 1.843 2.015 0.015 9 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 25 THR N 1 91 ASP O 3.000 . 3.000 2.938 2.867 3.017 0.017 9 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 26 VAL H 1 38 PHE O 2.000 . 2.000 1.774 1.742 1.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 26 VAL N 1 38 PHE O 3.000 . 3.000 2.793 2.760 2.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 27 TYR H 1 93 VAL O 2.000 . 2.000 1.862 1.797 1.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 27 TYR N 1 93 VAL O 3.000 . 3.000 2.858 2.812 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 28 CYS H 1 36 VAL O 2.000 . 2.000 1.826 1.723 1.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 28 CYS N 1 36 VAL O 3.000 . 3.000 2.788 2.752 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 26 VAL O 1 38 PHE H 2.000 . 2.000 2.000 1.938 2.016 0.016 11 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 26 VAL O 1 38 PHE N 3.000 . 3.000 2.984 2.930 3.002 0.002 40 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 24 LEU O 1 40 LEU H 2.000 . 2.000 1.853 1.810 1.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 24 LEU O 1 40 LEU N 3.000 . 3.000 2.843 2.806 2.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 47 GLU O 1 51 PHE H 2.000 . 2.000 1.905 1.813 2.009 0.009 38 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 47 GLU O 1 51 PHE N 3.000 . 3.000 2.866 2.790 2.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 50 ASN O 1 54 LEU H 2.000 . 2.000 1.963 1.823 2.027 0.027 9 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 50 ASN O 1 54 LEU N 3.000 . 3.000 2.915 2.801 3.003 0.003 4 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 51 PHE O 1 55 CYS H 2.000 . 2.000 1.971 1.875 2.013 0.013 17 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 51 PHE O 1 55 CYS N 3.000 . 3.000 2.938 2.813 3.007 0.007 38 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 56 GLU O 1 60 GLY H 2.000 . 2.000 2.010 1.840 2.055 0.055 9 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 56 GLU O 1 60 GLY N 3.000 . 3.000 2.854 2.772 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 69 VAL H 1 94 ILE O 2.000 . 2.000 1.821 1.743 1.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 69 VAL N 1 94 ILE O 3.000 . 3.000 2.803 2.724 2.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 70 TYR H 1 73 ARG O 2.000 . 2.000 1.890 1.805 1.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 70 TYR N 1 73 ARG O 3.000 . 3.000 2.894 2.811 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 82 LEU O 1 85 TYR H 2.000 . 2.000 2.021 2.007 2.044 0.044 14 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 82 LEU O 1 85 TYR N 3.000 . 3.000 2.940 2.907 2.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 86 GLY O 1 88 LYS H 2.000 . 2.000 2.060 2.014 2.257 0.257 9 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 86 GLY O 1 88 LYS N 3.000 . 3.000 2.756 2.708 2.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 25 THR O 1 93 VAL H 2.000 . 2.000 1.846 1.767 1.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
30 1 25 THR O 1 93 VAL N 3.000 . 3.000 2.840 2.773 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 69 VAL O 1 94 ILE H 2.000 . 2.000 1.859 1.776 1.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 69 VAL O 1 94 ILE N 3.000 . 3.000 2.859 2.791 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 27 TYR O 1 95 LEU H 2.000 . 2.000 1.806 1.748 1.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 27 TYR O 1 95 LEU N 3.000 . 3.000 2.810 2.752 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 67 GLN O 1 96 ARG H 2.000 . 2.000 1.809 1.739 1.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 67 GLN O 1 96 ARG N 3.000 . 3.000 2.819 2.748 2.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 22 MET O 1 42 VAL H 2.000 . 2.000 1.959 1.863 2.031 0.031 15 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 22 MET O 1 42 VAL N 3.000 . 3.000 2.956 2.868 3.007 0.007 31 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 82 LEU O 1 87 LEU H 2.000 . 2.000 2.026 2.004 2.216 0.216 9 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 82 LEU O 1 87 LEU N 3.000 . 3.000 3.014 2.946 3.185 0.185 9 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 88 LYS O 1 91 ASP H 2.000 . 2.000 2.018 1.958 2.116 0.116 9 0 "[ . 1 . 2 . 3 . 4]" 2
42 1 88 LYS O 1 91 ASP N 3.000 . 3.000 3.000 2.959 3.065 0.065 9 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_