NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483442 |
1xdx   |
4929 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xdx
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 1427
_Distance_constraint_stats_list.Viol_count 995
_Distance_constraint_stats_list.Viol_total 866.850
_Distance_constraint_stats_list.Viol_max 0.385
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.001 0.001 8 0 "[ . 1 .]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 4 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 8 VAL 0.948 0.151 10 0 "[ . 1 .]"
1 9 GLU 0.904 0.140 10 0 "[ . 1 .]"
1 10 GLU 0.065 0.034 1 0 "[ . 1 .]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 12 ALA 0.399 0.075 5 0 "[ . 1 .]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 14 VAL 0.211 0.040 6 0 "[ . 1 .]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 18 VAL 1.739 0.157 13 0 "[ . 1 .]"
1 19 SER 0.000 0.000 . 0 "[ . 1 .]"
1 20 ASN 0.491 0.083 11 0 "[ . 1 .]"
1 21 ILE 2.452 0.122 4 0 "[ . 1 .]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 23 LYS 5.051 0.304 4 0 "[ . 1 .]"
1 24 GLU 4.507 0.304 4 0 "[ . 1 .]"
1 25 SER 0.412 0.084 15 0 "[ . 1 .]"
1 26 ILE 0.456 0.112 6 0 "[ . 1 .]"
1 27 ASP 3.382 0.222 11 0 "[ . 1 .]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 29 VAL 0.921 0.105 11 0 "[ . 1 .]"
1 30 LEU 0.891 0.105 11 0 "[ . 1 .]"
1 31 GLN 3.622 0.174 12 0 "[ . 1 .]"
1 32 ASN 0.344 0.083 6 0 "[ . 1 .]"
1 33 GLN 0.286 0.087 3 0 "[ . 1 .]"
1 34 GLN 0.007 0.007 7 0 "[ . 1 .]"
1 35 TYR 0.007 0.007 7 0 "[ . 1 .]"
1 36 SER 2.540 0.385 14 0 "[ . 1 .]"
1 37 GLU 0.462 0.209 7 0 "[ . 1 .]"
1 38 ALA 0.713 0.114 8 0 "[ . 1 .]"
1 39 LYS 3.469 0.119 2 0 "[ . 1 .]"
1 40 VAL 1.909 0.209 7 0 "[ . 1 .]"
1 41 SER 1.778 0.155 7 0 "[ . 1 .]"
1 42 GLN 4.799 0.178 1 0 "[ . 1 .]"
1 43 TRP 6.366 0.385 14 0 "[ . 1 .]"
1 44 THR 3.382 0.178 1 0 "[ . 1 .]"
1 45 SER 2.081 0.107 7 0 "[ . 1 .]"
1 46 SER 3.024 0.181 11 0 "[ . 1 .]"
1 47 CYS 0.258 0.053 10 0 "[ . 1 .]"
1 48 LEU 0.941 0.102 12 0 "[ . 1 .]"
1 49 GLU 3.614 0.181 11 0 "[ . 1 .]"
1 50 HIS 2.575 0.124 5 0 "[ . 1 .]"
1 51 CYS 0.303 0.120 2 0 "[ . 1 .]"
1 52 ILE 0.465 0.103 5 0 "[ . 1 .]"
1 53 LYS 3.652 0.153 2 0 "[ . 1 .]"
1 54 ARG 1.143 0.092 2 0 "[ . 1 .]"
1 55 LEU 0.953 0.125 12 0 "[ . 1 .]"
1 56 THR 0.059 0.032 9 0 "[ . 1 .]"
1 57 ALA 0.051 0.050 5 0 "[ . 1 .]"
1 58 LEU 1.812 0.152 15 0 "[ . 1 .]"
1 59 ASN 0.229 0.065 15 0 "[ . 1 .]"
1 60 LYS 1.892 0.142 11 0 "[ . 1 .]"
1 61 PRO 2.038 0.174 15 0 "[ . 1 .]"
1 62 PHE 0.143 0.071 14 0 "[ . 1 .]"
1 63 LYS 0.081 0.041 6 0 "[ . 1 .]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 65 VAL 0.307 0.247 15 0 "[ . 1 .]"
1 66 VAL 0.901 0.144 10 0 "[ . 1 .]"
1 67 THR 1.931 0.153 2 0 "[ . 1 .]"
1 68 CYS 0.439 0.189 11 0 "[ . 1 .]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 71 MET 0.039 0.039 11 0 "[ . 1 .]"
1 72 GLN 0.039 0.039 11 0 "[ . 1 .]"
1 73 LYS 0.190 0.054 12 0 "[ . 1 .]"
1 74 ASN 0.401 0.242 3 0 "[ . 1 .]"
1 75 GLY 0.103 0.054 12 0 "[ . 1 .]"
1 76 ALA 0.362 0.242 3 0 "[ . 1 .]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 79 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 80 THR 0.000 0.000 . 0 "[ . 1 .]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 83 SER 0.000 0.000 . 0 "[ . 1 .]"
1 84 CYS 1.597 0.164 1 0 "[ . 1 .]"
1 85 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 86 TRP 0.154 0.039 4 0 "[ . 1 .]"
1 87 ASP 0.045 0.029 11 0 "[ . 1 .]"
1 88 SER 0.073 0.056 13 0 "[ . 1 .]"
1 89 THR 0.085 0.041 4 0 "[ . 1 .]"
1 90 THR 0.085 0.056 13 0 "[ . 1 .]"
1 91 ASP 1.851 0.321 6 0 "[ . 1 .]"
1 92 GLY 0.153 0.056 14 0 "[ . 1 .]"
1 93 SER 0.646 0.109 10 0 "[ . 1 .]"
1 94 ARG 0.357 0.062 9 0 "[ . 1 .]"
1 95 THR 0.414 0.075 5 0 "[ . 1 .]"
1 96 VAL 0.438 0.056 14 0 "[ . 1 .]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 98 TRP 5.444 0.222 11 0 "[ . 1 .]"
1 99 GLU 0.671 0.095 13 0 "[ . 1 .]"
1 100 ASN 0.515 0.104 2 0 "[ . 1 .]"
1 101 LYS 0.821 0.115 1 0 "[ . 1 .]"
1 102 SER 0.640 0.090 7 0 "[ . 1 .]"
1 103 MET 0.368 0.042 14 0 "[ . 1 .]"
1 104 TYR 0.637 0.104 2 0 "[ . 1 .]"
1 105 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 106 ILE 0.311 0.056 14 0 "[ . 1 .]"
1 107 CYS 0.609 0.189 11 0 "[ . 1 .]"
1 108 THR 2.280 0.153 2 0 "[ . 1 .]"
1 109 VAL 1.260 0.157 13 0 "[ . 1 .]"
1 110 PHE 0.307 0.247 15 0 "[ . 1 .]"
1 111 GLY 0.387 0.057 10 0 "[ . 1 .]"
1 112 LEU 0.736 0.133 4 0 "[ . 1 .]"
1 113 ALA 1.022 0.321 6 0 "[ . 1 .]"
1 114 ILE 0.809 0.174 15 0 "[ . 1 .]"
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 10 GLU HA 1 11 ALA H 2.580 . 3.360 2.174 2.128 2.319 . 0 0 "[ . 1 .]" 1
2 1 95 THR H 1 95 THR HB 2.720 . 3.640 2.664 2.461 2.867 . 0 0 "[ . 1 .]" 1
3 1 41 SER H 1 41 SER HB3 2.795 . 3.790 3.232 2.692 3.729 . 0 0 "[ . 1 .]" 1
4 1 42 GLN H 1 42 GLN HB3 2.830 . 3.860 3.550 3.413 3.608 . 0 0 "[ . 1 .]" 1
5 1 45 SER H 1 45 SER HB3 2.690 . 3.580 2.748 2.199 3.334 . 0 0 "[ . 1 .]" 1
6 1 47 CYS H 1 47 CYS HB3 2.860 . 3.920 2.507 2.073 3.234 . 0 0 "[ . 1 .]" 1
7 1 48 LEU H 1 48 LEU HB3 2.640 . 3.480 3.414 3.384 3.460 . 0 0 "[ . 1 .]" 1
8 1 50 HIS H 1 50 HIS HB2 2.815 . 3.830 2.326 2.286 2.393 . 0 0 "[ . 1 .]" 1
9 1 51 CYS H 1 51 CYS HB3 2.970 . 4.140 2.728 2.454 3.486 . 0 0 "[ . 1 .]" 1
10 1 56 THR H 1 56 THR HB 2.890 . 3.980 3.593 3.570 3.615 . 0 0 "[ . 1 .]" 1
11 1 58 LEU H 1 58 LEU HB3 2.535 . 3.270 3.370 3.360 3.422 0.152 15 0 "[ . 1 .]" 1
12 1 99 GLU H 1 99 GLU HB2 2.845 . 3.890 2.840 2.657 3.025 . 0 0 "[ . 1 .]" 1
13 1 29 VAL H 1 29 VAL HB 2.690 . 3.580 2.055 2.015 2.093 . 0 0 "[ . 1 .]" 1
14 1 27 ASP H 1 28 ALA H 2.890 . 3.980 2.741 2.657 2.772 . 0 0 "[ . 1 .]" 1
15 1 28 ALA H 1 29 VAL H 2.625 . 3.450 2.341 2.304 2.381 . 0 0 "[ . 1 .]" 1
16 1 29 VAL H 1 30 LEU H 3.110 . 4.420 2.656 2.588 2.714 . 0 0 "[ . 1 .]" 1
17 1 30 LEU H 1 31 GLN H 3.060 . 4.320 1.973 1.950 1.995 . 0 0 "[ . 1 .]" 1
18 1 29 VAL H 1 31 GLN H 3.260 . 4.720 4.161 4.046 4.272 . 0 0 "[ . 1 .]" 1
19 1 35 TYR H 1 36 SER H 3.540 . 5.280 4.382 4.331 4.446 . 0 0 "[ . 1 .]" 1
20 1 42 GLN H 1 43 TRP H 2.580 . 3.360 2.530 2.441 2.650 . 0 0 "[ . 1 .]" 1
21 1 43 TRP H 1 44 THR H 2.795 . 3.790 2.891 2.735 3.056 . 0 0 "[ . 1 .]" 1
22 1 44 THR H 1 45 SER H 2.795 . 3.790 2.733 2.696 2.761 . 0 0 "[ . 1 .]" 1
23 1 45 SER H 1 46 SER H 2.705 . 3.610 2.398 2.359 2.453 . 0 0 "[ . 1 .]" 1
24 1 46 SER H 1 47 CYS H 2.765 . 3.730 2.475 2.398 2.529 . 0 0 "[ . 1 .]" 1
25 1 45 SER H 1 47 CYS H 3.245 . 4.690 3.665 3.588 3.785 . 0 0 "[ . 1 .]" 1
26 1 48 LEU H 1 49 GLU H 2.890 . 3.980 2.630 2.569 2.704 . 0 0 "[ . 1 .]" 1
27 1 49 GLU H 1 50 HIS H 2.830 . 3.860 2.341 2.317 2.363 . 0 0 "[ . 1 .]" 1
28 1 50 HIS H 1 51 CYS H 2.985 . 4.170 2.537 2.504 2.610 . 0 0 "[ . 1 .]" 1
29 1 49 GLU H 1 51 CYS H 3.340 . 4.880 3.697 3.639 3.739 . 0 0 "[ . 1 .]" 1
30 1 51 CYS H 1 52 ILE H 2.935 . 4.070 1.996 1.912 2.146 . 0 0 "[ . 1 .]" 1
31 1 52 ILE H 1 53 LYS H 2.860 . 3.920 2.659 2.522 2.784 . 0 0 "[ . 1 .]" 1
32 1 53 LYS H 1 54 ARG H 2.845 . 3.890 2.611 2.420 2.715 . 0 0 "[ . 1 .]" 1
33 1 54 ARG H 1 55 LEU H 2.985 . 4.170 2.504 2.362 2.675 . 0 0 "[ . 1 .]" 1
34 1 55 LEU H 1 56 THR H 2.795 . 3.790 2.665 2.504 2.754 . 0 0 "[ . 1 .]" 1
35 1 56 THR H 1 57 ALA H 2.720 . 3.640 2.443 2.362 2.592 . 0 0 "[ . 1 .]" 1
36 1 57 ALA H 1 58 LEU H 2.795 . 3.790 2.536 2.426 2.593 . 0 0 "[ . 1 .]" 1
37 1 58 LEU H 1 59 ASN H 2.920 . 4.040 2.377 2.148 2.847 . 0 0 "[ . 1 .]" 1
38 1 89 THR H 1 90 THR H 3.110 . 4.420 2.482 2.105 2.714 . 0 0 "[ . 1 .]" 1
39 1 102 SER H 1 103 MET H 2.720 . 3.640 2.256 1.973 3.681 0.041 10 0 "[ . 1 .]" 1
40 1 18 VAL H 1 19 SER H 3.280 . 4.760 2.400 2.340 2.513 . 0 0 "[ . 1 .]" 1
41 1 19 SER H 1 20 ASN H 3.125 . 4.450 2.756 2.653 2.844 . 0 0 "[ . 1 .]" 1
42 1 18 VAL H 1 20 ASN H 3.605 . 5.410 4.251 4.183 4.317 . 0 0 "[ . 1 .]" 1
43 1 23 LYS H 1 24 GLU H 3.110 . 4.420 2.771 2.688 2.905 . 0 0 "[ . 1 .]" 1
44 1 24 GLU H 1 25 SER H 2.765 . 3.730 2.690 2.585 2.750 . 0 0 "[ . 1 .]" 1
45 1 25 SER H 1 26 ILE H 2.610 . 3.420 2.691 2.591 2.763 . 0 0 "[ . 1 .]" 1
46 1 25 SER H 1 27 ASP H 2.935 . 4.070 4.073 3.913 4.154 0.084 15 0 "[ . 1 .]" 1
47 1 28 ALA H 1 30 LEU H 3.295 . 4.790 3.694 3.660 3.794 . 0 0 "[ . 1 .]" 1
48 1 27 ASP H 1 29 VAL H 3.370 . 4.940 4.176 4.048 4.247 . 0 0 "[ . 1 .]" 1
49 1 26 ILE H 1 28 ALA H 3.605 . 5.410 4.110 4.076 4.137 . 0 0 "[ . 1 .]" 1
50 1 31 GLN H 1 32 ASN H 3.170 . 4.540 2.424 2.351 2.538 . 0 0 "[ . 1 .]" 1
51 1 32 ASN H 1 33 GLN H 2.875 . 3.950 2.951 2.813 3.062 . 0 0 "[ . 1 .]" 1
52 1 31 GLN H 1 33 GLN H 3.230 . 4.660 4.614 4.365 4.747 0.087 3 0 "[ . 1 .]" 1
53 1 38 ALA H 1 39 LYS H 2.970 . 4.140 2.611 2.497 2.680 . 0 0 "[ . 1 .]" 1
54 1 39 LYS H 1 40 VAL H 2.595 . 3.390 2.168 1.951 2.252 . 0 0 "[ . 1 .]" 1
55 1 40 VAL H 1 41 SER H 3.075 . 4.350 2.827 2.810 2.849 . 0 0 "[ . 1 .]" 1
56 1 39 LYS H 1 41 SER H 3.450 . 5.100 4.269 4.162 4.401 . 0 0 "[ . 1 .]" 1
57 1 41 SER H 1 42 GLN H 2.750 . 3.700 2.054 1.976 2.171 . 0 0 "[ . 1 .]" 1
58 1 40 VAL H 1 42 GLN H 3.370 . 4.940 4.134 4.019 4.289 . 0 0 "[ . 1 .]" 1
59 1 42 GLN H 1 44 THR H 3.200 . 4.600 4.573 4.384 4.725 0.125 1 0 "[ . 1 .]" 1
60 1 43 TRP H 1 45 SER H 3.325 . 4.850 3.877 3.813 3.935 . 0 0 "[ . 1 .]" 1
61 1 47 CYS H 1 48 LEU H 2.955 . 4.110 2.527 2.459 2.609 . 0 0 "[ . 1 .]" 1
62 1 46 SER H 1 48 LEU H 3.420 . 5.040 3.952 3.894 4.065 . 0 0 "[ . 1 .]" 1
63 1 48 LEU H 1 50 HIS H 3.215 . 4.630 3.861 3.805 3.914 . 0 0 "[ . 1 .]" 1
64 1 50 HIS H 1 52 ILE H 3.015 . 4.230 4.216 4.119 4.333 0.103 5 0 "[ . 1 .]" 1
65 1 51 CYS H 1 53 LYS H 3.110 . 4.420 3.306 3.053 3.478 . 0 0 "[ . 1 .]" 1
66 1 52 ILE H 1 54 ARG H 3.420 . 5.040 4.000 3.926 4.067 . 0 0 "[ . 1 .]" 1
67 1 53 LYS H 1 55 LEU H 3.495 . 5.190 4.212 3.990 4.359 . 0 0 "[ . 1 .]" 1
68 1 54 ARG H 1 56 THR H 3.400 . 5.000 3.928 3.814 4.101 . 0 0 "[ . 1 .]" 1
69 1 55 LEU H 1 57 ALA H 3.245 . 4.690 3.989 3.683 4.221 . 0 0 "[ . 1 .]" 1
70 1 59 ASN H 1 60 LYS H 3.045 . 4.290 3.284 2.604 3.525 . 0 0 "[ . 1 .]" 1
71 1 58 LEU H 1 60 LYS H 3.525 . 5.250 5.182 4.733 5.299 0.049 2 0 "[ . 1 .]" 1
72 1 57 ALA H 1 59 ASN H 3.555 . 5.310 3.796 3.522 4.661 . 0 0 "[ . 1 .]" 1
73 1 80 THR H 1 81 ALA H 3.465 . 5.130 4.530 4.468 4.579 . 0 0 "[ . 1 .]" 1
74 1 85 TRP H 1 86 TRP H 3.540 . 5.280 3.952 2.427 4.620 . 0 0 "[ . 1 .]" 1
75 1 90 THR H 1 91 ASP H 3.260 . 4.720 3.356 2.360 3.948 . 0 0 "[ . 1 .]" 1
76 1 99 GLU H 1 100 ASN H 3.230 . 4.660 4.363 4.221 4.486 . 0 0 "[ . 1 .]" 1
77 1 96 VAL H 1 97 ARG H 3.370 . 4.940 4.257 4.074 4.435 . 0 0 "[ . 1 .]" 1
78 1 95 THR H 1 96 VAL H 3.280 . 4.760 4.577 4.549 4.595 . 0 0 "[ . 1 .]" 1
79 1 107 CYS H 1 108 THR H 3.450 . 5.100 4.223 4.072 4.318 . 0 0 "[ . 1 .]" 1
80 1 29 VAL HB 1 30 LEU H 2.845 . 3.890 3.722 3.596 3.845 . 0 0 "[ . 1 .]" 1
81 1 26 ILE HA 1 28 ALA H 3.420 . 5.040 4.044 4.006 4.121 . 0 0 "[ . 1 .]" 1
82 1 26 ILE HA 1 29 VAL H 3.125 . 4.450 3.167 3.011 3.342 . 0 0 "[ . 1 .]" 1
83 1 26 ILE HA 1 30 LEU H 3.325 . 4.850 3.795 3.620 4.141 . 0 0 "[ . 1 .]" 1
84 1 27 ASP HA 1 29 VAL H 3.650 . 5.500 4.885 4.802 4.955 . 0 0 "[ . 1 .]" 1
85 1 27 ASP HA 1 30 LEU H 3.385 . 4.970 4.134 4.054 4.211 . 0 0 "[ . 1 .]" 1
86 1 27 ASP HA 1 31 GLN H 3.635 . 5.470 3.760 3.587 3.941 . 0 0 "[ . 1 .]" 1
87 1 27 ASP HB2 1 28 ALA H 3.450 . 5.100 3.923 3.757 4.019 . 0 0 "[ . 1 .]" 1
88 1 27 ASP HB3 1 28 ALA H 3.110 . 4.420 2.688 2.647 2.742 . 0 0 "[ . 1 .]" 1
89 1 26 ILE H 1 26 ILE HB 2.705 . 3.610 2.320 2.130 2.454 . 0 0 "[ . 1 .]" 1
90 1 26 ILE HB 1 27 ASP H 2.610 . 3.420 2.794 2.680 3.018 . 0 0 "[ . 1 .]" 1
91 1 17 ASP HB3 1 18 VAL H 3.495 . 5.190 3.042 2.311 3.998 . 0 0 "[ . 1 .]" 1
92 1 17 ASP HB2 1 18 VAL H 3.495 . 5.190 3.300 2.556 3.724 . 0 0 "[ . 1 .]" 1
93 1 18 VAL HB 1 19 SER H 2.705 . 3.610 2.817 2.711 2.850 . 0 0 "[ . 1 .]" 1
94 1 20 ASN HB3 1 21 ILE H 3.045 . 4.290 3.874 3.651 4.232 . 0 0 "[ . 1 .]" 1
95 1 20 ASN HB2 1 21 ILE H 3.045 . 4.290 3.817 3.633 4.182 . 0 0 "[ . 1 .]" 1
96 1 19 SER H 1 19 SER HB2 2.955 . 4.110 2.870 2.168 3.601 . 0 0 "[ . 1 .]" 1
97 1 19 SER H 1 19 SER HB3 2.955 . 4.110 2.711 2.246 3.592 . 0 0 "[ . 1 .]" 1
98 1 19 SER HB3 1 20 ASN H 3.650 . 5.500 3.223 2.550 3.918 . 0 0 "[ . 1 .]" 1
99 1 19 SER HB2 1 20 ASN H 3.650 . 5.500 3.602 2.534 4.061 . 0 0 "[ . 1 .]" 1
100 1 21 ILE H 1 21 ILE HB 2.625 . 3.450 2.507 2.422 2.565 . 0 0 "[ . 1 .]" 1
101 1 21 ILE HB 1 22 ILE H 3.140 . 4.480 2.399 2.289 2.594 . 0 0 "[ . 1 .]" 1
102 1 21 ILE H 1 22 ILE H 2.750 . 3.700 2.899 2.786 2.967 . 0 0 "[ . 1 .]" 1
103 1 22 ILE H 1 23 LYS H 3.170 . 4.540 2.847 2.748 2.883 . 0 0 "[ . 1 .]" 1
104 1 23 LYS HB3 1 24 GLU H 3.650 . 5.500 3.238 2.772 3.475 . 0 0 "[ . 1 .]" 1
105 1 23 LYS HB2 1 24 GLU H 3.650 . 5.500 2.480 2.194 3.120 . 0 0 "[ . 1 .]" 1
106 1 24 GLU H 1 24 GLU HB2 2.580 . 3.360 2.231 2.124 2.430 . 0 0 "[ . 1 .]" 1
107 1 24 GLU H 1 24 GLU HB3 2.935 . 4.070 3.505 3.437 3.588 . 0 0 "[ . 1 .]" 1
108 1 24 GLU HB2 1 25 SER H 3.060 . 4.320 2.932 2.749 3.075 . 0 0 "[ . 1 .]" 1
109 1 24 GLU HB3 1 25 SER H 3.000 . 4.200 3.403 3.272 3.630 . 0 0 "[ . 1 .]" 1
110 1 25 SER HB2 1 26 ILE H 3.015 . 4.230 3.120 2.590 3.819 . 0 0 "[ . 1 .]" 1
111 1 25 SER HB3 1 26 ILE H 3.015 . 4.230 3.014 2.494 3.455 . 0 0 "[ . 1 .]" 1
112 1 24 GLU HA 1 26 ILE H 3.245 . 4.690 4.606 4.435 4.750 0.060 11 0 "[ . 1 .]" 1
113 1 30 LEU HB3 1 31 GLN H 3.540 . 5.280 3.664 3.517 3.779 . 0 0 "[ . 1 .]" 1
114 1 30 LEU HB2 1 31 GLN H 3.555 . 5.310 2.946 2.850 3.040 . 0 0 "[ . 1 .]" 1
115 1 31 GLN H 1 31 GLN HB3 2.550 . 3.300 2.720 2.682 2.788 . 0 0 "[ . 1 .]" 1
116 1 31 GLN H 1 31 GLN HB2 2.535 . 3.270 2.515 2.457 2.569 . 0 0 "[ . 1 .]" 1
117 1 31 GLN HB3 1 32 ASN H 3.650 . 5.500 3.251 3.060 3.352 . 0 0 "[ . 1 .]" 1
118 1 31 GLN HB2 1 32 ASN H 3.650 . 5.500 4.101 4.016 4.143 . 0 0 "[ . 1 .]" 1
119 1 32 ASN HB2 1 33 GLN H 3.170 . 4.540 3.716 3.369 4.159 . 0 0 "[ . 1 .]" 1
120 1 32 ASN HB3 1 33 GLN H 3.170 . 4.540 4.083 3.833 4.244 . 0 0 "[ . 1 .]" 1
121 1 38 ALA HA 1 40 VAL H 3.420 . 5.040 4.222 4.144 4.286 . 0 0 "[ . 1 .]" 1
122 1 38 ALA HA 1 41 SER H 3.310 . 4.820 4.733 4.579 4.908 0.088 7 0 "[ . 1 .]" 1
123 1 38 ALA HA 1 42 GLN H 3.540 . 5.280 5.301 5.171 5.394 0.114 8 0 "[ . 1 .]" 1
124 1 39 LYS HA 1 41 SER H 3.245 . 4.690 3.555 3.484 3.682 . 0 0 "[ . 1 .]" 1
125 1 39 LYS HA 1 42 GLN H 3.090 . 4.380 2.788 2.731 2.826 . 0 0 "[ . 1 .]" 1
126 1 39 LYS HA 1 43 TRP H 3.325 . 4.850 3.206 3.041 3.372 . 0 0 "[ . 1 .]" 1
127 1 40 VAL HA 1 42 GLN H 3.420 . 5.040 4.794 4.672 4.973 . 0 0 "[ . 1 .]" 1
128 1 40 VAL HA 1 43 TRP H 3.230 . 4.660 4.203 4.102 4.305 . 0 0 "[ . 1 .]" 1
129 1 40 VAL HB 1 41 SER H 3.280 . 4.760 3.312 3.136 3.900 . 0 0 "[ . 1 .]" 1
130 1 41 SER H 1 41 SER HB2 2.795 . 3.790 2.865 2.417 3.757 . 0 0 "[ . 1 .]" 1
131 1 41 SER HB2 1 42 GLN H 2.830 . 3.860 3.326 2.551 3.878 0.018 10 0 "[ . 1 .]" 1
132 1 41 SER HB3 1 42 GLN H 2.830 . 3.860 3.517 2.831 3.882 0.022 9 0 "[ . 1 .]" 1
133 1 41 SER HA 1 43 TRP H 3.280 . 4.760 4.159 4.001 4.392 . 0 0 "[ . 1 .]" 1
134 1 42 GLN HB2 1 43 TRP H 2.795 . 3.790 2.917 2.784 3.110 . 0 0 "[ . 1 .]" 1
135 1 42 GLN HB3 1 43 TRP H 2.830 . 3.860 3.660 3.389 3.937 0.077 7 0 "[ . 1 .]" 1
136 1 40 VAL HA 1 44 THR H 3.650 . 5.500 4.947 4.554 5.340 . 0 0 "[ . 1 .]" 1
137 1 41 SER HA 1 44 THR H 3.090 . 4.380 3.756 3.638 3.881 . 0 0 "[ . 1 .]" 1
138 1 41 SER HA 1 45 SER H 3.280 . 4.760 4.819 4.794 4.849 0.089 4 0 "[ . 1 .]" 1
139 1 44 THR HB 1 45 SER H 2.860 . 3.920 3.925 3.787 4.027 0.107 7 0 "[ . 1 .]" 1
140 1 44 THR HA 1 46 SER H 3.090 . 4.380 4.170 4.054 4.313 . 0 0 "[ . 1 .]" 1
141 1 44 THR HA 1 47 CYS H 3.325 . 4.850 2.983 2.892 3.145 . 0 0 "[ . 1 .]" 1
142 1 42 GLN HA 1 44 THR H 3.185 . 4.570 4.689 4.641 4.748 0.178 1 0 "[ . 1 .]" 1
143 1 42 GLN HA 1 45 SER H 3.110 . 4.420 3.357 3.170 3.553 . 0 0 "[ . 1 .]" 1
144 1 42 GLN HA 1 46 SER H 3.140 . 4.480 4.404 4.102 4.570 0.090 15 0 "[ . 1 .]" 1
145 1 45 SER H 1 45 SER HB2 2.690 . 3.580 2.889 2.113 3.594 0.014 1 0 "[ . 1 .]" 1
146 1 45 SER HB2 1 46 SER H 3.170 . 4.540 3.602 3.073 4.065 . 0 0 "[ . 1 .]" 1
147 1 45 SER HB3 1 46 SER H 3.170 . 4.540 3.308 2.913 3.655 . 0 0 "[ . 1 .]" 1
148 1 46 SER HB3 1 47 CYS H 3.650 . 5.500 3.361 3.004 3.504 . 0 0 "[ . 1 .]" 1
149 1 46 SER HB2 1 47 CYS H 3.650 . 5.500 3.047 2.881 3.409 . 0 0 "[ . 1 .]" 1
150 1 45 SER HA 1 47 CYS H 3.510 . 5.220 4.147 4.068 4.374 . 0 0 "[ . 1 .]" 1
151 1 47 CYS H 1 47 CYS HB2 2.860 . 3.920 2.629 2.138 2.977 . 0 0 "[ . 1 .]" 1
152 1 47 CYS HB2 1 48 LEU H 3.155 . 4.510 3.745 3.201 3.996 . 0 0 "[ . 1 .]" 1
153 1 47 CYS HB3 1 48 LEU H 3.155 . 4.510 2.675 2.530 2.953 . 0 0 "[ . 1 .]" 1
154 1 48 LEU H 1 48 LEU HB2 2.920 . 4.040 2.108 2.087 2.155 . 0 0 "[ . 1 .]" 1
155 1 48 LEU HB3 1 49 GLU H 3.185 . 4.570 3.357 3.263 3.426 . 0 0 "[ . 1 .]" 1
156 1 48 LEU HB2 1 49 GLU H 3.170 . 4.540 3.016 2.927 3.084 . 0 0 "[ . 1 .]" 1
157 1 49 GLU HB3 1 50 HIS H 3.045 . 4.290 2.861 2.697 2.922 . 0 0 "[ . 1 .]" 1
158 1 49 GLU HB2 1 50 HIS H 2.845 . 3.890 3.867 3.822 3.902 0.012 5 0 "[ . 1 .]" 1
159 1 48 LEU HA 1 50 HIS H 3.155 . 4.510 4.274 4.222 4.387 . 0 0 "[ . 1 .]" 1
160 1 47 CYS HA 1 50 HIS H 3.245 . 4.690 3.174 2.944 3.316 . 0 0 "[ . 1 .]" 1
161 1 46 SER HA 1 50 HIS H 3.650 . 5.500 3.954 3.781 4.126 . 0 0 "[ . 1 .]" 1
162 1 46 SER HA 1 49 GLU H 3.280 . 4.760 3.122 3.050 3.209 . 0 0 "[ . 1 .]" 1
163 1 47 CYS HA 1 49 GLU H 3.280 . 4.760 4.207 4.042 4.299 . 0 0 "[ . 1 .]" 1
164 1 47 CYS HA 1 51 CYS H 3.340 . 4.880 4.386 4.270 4.464 . 0 0 "[ . 1 .]" 1
165 1 49 GLU HA 1 51 CYS H 3.260 . 4.720 3.564 3.458 3.675 . 0 0 "[ . 1 .]" 1
166 1 48 LEU HA 1 51 CYS H 3.015 . 4.230 3.405 3.302 3.475 . 0 0 "[ . 1 .]" 1
167 1 50 HIS H 1 50 HIS HB3 2.795 . 3.790 3.578 3.558 3.605 . 0 0 "[ . 1 .]" 1
168 1 50 HIS HB3 1 51 CYS H 3.075 . 4.350 4.228 4.146 4.295 . 0 0 "[ . 1 .]" 1
169 1 50 HIS HB2 1 51 CYS H 3.110 . 4.420 3.648 3.573 3.724 . 0 0 "[ . 1 .]" 1
170 1 51 CYS H 1 51 CYS HB2 2.970 . 4.140 2.756 2.300 2.899 . 0 0 "[ . 1 .]" 1
171 1 45 SER HA 1 49 GLU H 3.435 . 5.070 4.437 4.321 4.570 . 0 0 "[ . 1 .]" 1
172 1 45 SER HA 1 48 LEU H 3.015 . 4.230 3.255 3.162 3.439 . 0 0 "[ . 1 .]" 1
173 1 44 THR HA 1 48 LEU H 3.465 . 5.130 4.025 3.914 4.178 . 0 0 "[ . 1 .]" 1
174 1 48 LEU HA 1 52 ILE H 3.325 . 4.850 3.683 3.398 3.886 . 0 0 "[ . 1 .]" 1
175 1 52 ILE H 1 52 ILE HB 2.640 . 3.480 2.481 2.326 2.678 . 0 0 "[ . 1 .]" 1
176 1 51 CYS HB2 1 52 ILE H 2.920 . 4.040 3.518 2.424 3.688 . 0 0 "[ . 1 .]" 1
177 1 51 CYS HB3 1 52 ILE H 2.920 . 4.040 2.448 2.265 2.959 . 0 0 "[ . 1 .]" 1
178 1 52 ILE HB 1 53 LYS H 3.110 . 4.420 3.844 3.749 3.997 . 0 0 "[ . 1 .]" 1
179 1 53 LYS HB3 1 54 ARG H 2.970 . 4.140 3.561 3.381 3.970 . 0 0 "[ . 1 .]" 1
180 1 53 LYS HB2 1 54 ARG H 2.970 . 4.140 2.964 2.773 3.177 . 0 0 "[ . 1 .]" 1
181 1 52 ILE HA 1 54 ARG H 3.480 . 5.160 4.236 4.166 4.392 . 0 0 "[ . 1 .]" 1
182 1 53 LYS HA 1 55 LEU H 3.185 . 4.570 4.558 4.220 4.662 0.092 9 0 "[ . 1 .]" 1
183 1 52 ILE HA 1 55 LEU H 3.280 . 4.760 3.523 3.205 3.943 . 0 0 "[ . 1 .]" 1
184 1 51 CYS HA 1 55 LEU H 3.310 . 4.820 4.127 3.694 4.415 . 0 0 "[ . 1 .]" 1
185 1 54 ARG H 1 54 ARG HB2 2.985 . 4.170 2.276 2.072 2.597 . 0 0 "[ . 1 .]" 1
186 1 54 ARG H 1 54 ARG HB3 2.985 . 4.170 2.986 2.503 3.433 . 0 0 "[ . 1 .]" 1
187 1 54 ARG HB3 1 55 LEU H 3.215 . 4.630 2.731 2.387 3.321 . 0 0 "[ . 1 .]" 1
188 1 54 ARG HB2 1 55 LEU H 3.215 . 4.630 3.351 2.745 3.777 . 0 0 "[ . 1 .]" 1
189 1 55 LEU H 1 55 LEU HB2 2.815 . 3.830 2.393 2.165 2.626 . 0 0 "[ . 1 .]" 1
190 1 55 LEU H 1 55 LEU HB3 2.890 . 3.980 3.552 3.472 3.585 . 0 0 "[ . 1 .]" 1
191 1 55 LEU HB2 1 56 THR H 3.155 . 4.510 2.777 2.240 2.945 . 0 0 "[ . 1 .]" 1
192 1 55 LEU HB3 1 56 THR H 2.890 . 3.980 3.639 3.098 3.882 . 0 0 "[ . 1 .]" 1
193 1 54 ARG HA 1 56 THR H 3.495 . 5.190 4.202 3.967 4.853 . 0 0 "[ . 1 .]" 1
194 1 53 LYS HA 1 56 THR H 2.985 . 4.170 3.628 3.336 3.866 . 0 0 "[ . 1 .]" 1
195 1 52 ILE HA 1 56 THR H 3.465 . 5.130 4.258 3.768 4.766 . 0 0 "[ . 1 .]" 1
196 1 54 ARG HA 1 57 ALA H 3.260 . 4.720 3.262 2.994 3.494 . 0 0 "[ . 1 .]" 1
197 1 56 THR HB 1 57 ALA H 3.280 . 4.760 4.007 3.880 4.123 . 0 0 "[ . 1 .]" 1
198 1 58 LEU H 1 58 LEU HB2 2.935 . 4.070 2.101 2.071 2.171 . 0 0 "[ . 1 .]" 1
199 1 57 ALA HA 1 59 ASN H 3.480 . 5.160 4.343 3.941 5.210 0.050 5 0 "[ . 1 .]" 1
200 1 58 LEU HB3 1 59 ASN H 3.155 . 4.510 3.399 2.479 3.834 . 0 0 "[ . 1 .]" 1
201 1 58 LEU HB2 1 59 ASN H 3.155 . 4.510 3.135 2.514 3.374 . 0 0 "[ . 1 .]" 1
202 1 56 THR HA 1 58 LEU H 3.480 . 5.160 4.195 3.959 4.479 . 0 0 "[ . 1 .]" 1
203 1 55 LEU HA 1 58 LEU H 3.155 . 4.510 3.418 3.239 3.752 . 0 0 "[ . 1 .]" 1
204 1 55 LEU HA 1 57 ALA H 3.185 . 4.570 4.213 3.974 4.425 . 0 0 "[ . 1 .]" 1
205 1 55 LEU HA 1 59 ASN H 3.310 . 4.820 4.061 3.743 4.468 . 0 0 "[ . 1 .]" 1
206 1 56 THR HA 1 59 ASN H 3.385 . 4.970 3.115 2.797 3.663 . 0 0 "[ . 1 .]" 1
207 1 54 ARG HA 1 58 LEU H 3.570 . 5.340 4.274 4.101 4.431 . 0 0 "[ . 1 .]" 1
208 1 53 LYS HA 1 57 ALA H 3.230 . 4.660 4.359 3.786 4.661 0.001 4 0 "[ . 1 .]" 1
209 1 59 ASN HB3 1 60 LYS H 3.325 . 4.850 4.545 3.869 4.660 . 0 0 "[ . 1 .]" 1
210 1 59 ASN HB2 1 60 LYS H 3.325 . 4.850 4.110 3.200 4.407 . 0 0 "[ . 1 .]" 1
211 1 65 VAL HB 1 66 VAL H 3.650 . 5.500 4.073 3.201 4.489 . 0 0 "[ . 1 .]" 1
212 1 67 THR HB 1 68 CYS H 2.905 . 4.010 3.824 3.668 4.020 0.010 2 0 "[ . 1 .]" 1
213 1 66 VAL HB 1 67 THR H 3.110 . 4.420 4.145 3.758 4.256 . 0 0 "[ . 1 .]" 1
214 1 68 CYS HB3 1 69 ILE H 3.170 . 4.540 3.530 2.634 4.110 . 0 0 "[ . 1 .]" 1
215 1 68 CYS HB2 1 69 ILE H 3.170 . 4.540 3.725 2.621 4.210 . 0 0 "[ . 1 .]" 1
216 1 69 ILE HB 1 70 ILE H 3.635 . 5.470 4.241 3.980 4.359 . 0 0 "[ . 1 .]" 1
217 1 70 ILE HB 1 71 MET H 3.295 . 4.790 2.972 2.760 3.429 . 0 0 "[ . 1 .]" 1
218 1 71 MET HB2 1 72 GLN H 3.260 . 4.720 4.542 4.338 4.653 . 0 0 "[ . 1 .]" 1
219 1 71 MET HB3 1 72 GLN H 3.260 . 4.720 3.924 3.476 4.271 . 0 0 "[ . 1 .]" 1
220 1 72 GLN H 1 72 GLN HB3 2.815 . 3.830 2.737 2.474 3.044 . 0 0 "[ . 1 .]" 1
221 1 74 ASN HB2 1 75 GLY H 3.620 . 5.440 3.911 2.176 4.476 . 0 0 "[ . 1 .]" 1
222 1 74 ASN HB3 1 75 GLY H 3.620 . 5.440 4.398 3.505 4.669 . 0 0 "[ . 1 .]" 1
223 1 80 THR HA 1 81 ALA H 2.520 . 3.240 2.303 2.257 2.332 . 0 0 "[ . 1 .]" 1
224 1 80 THR HB 1 81 ALA H 2.905 . 4.010 3.755 3.650 3.848 . 0 0 "[ . 1 .]" 1
225 1 82 ALA HA 1 83 SER H 2.675 . 3.550 2.133 2.069 2.301 . 0 0 "[ . 1 .]" 1
226 1 90 THR H 1 90 THR HB 2.905 . 4.010 3.617 3.520 3.768 . 0 0 "[ . 1 .]" 1
227 1 96 VAL H 1 96 VAL HB 2.970 . 4.140 2.826 2.710 3.031 . 0 0 "[ . 1 .]" 1
228 1 98 TRP HB3 1 99 GLU H 3.450 . 5.100 3.374 2.851 4.029 . 0 0 "[ . 1 .]" 1
229 1 98 TRP HB2 1 99 GLU H 3.450 . 5.100 4.231 2.736 4.539 . 0 0 "[ . 1 .]" 1
230 1 99 GLU H 1 99 GLU HB3 2.860 . 3.920 3.832 3.616 3.948 0.028 10 0 "[ . 1 .]" 1
231 1 99 GLU HB2 1 100 ASN H 3.090 . 4.380 3.796 3.350 4.381 0.001 5 0 "[ . 1 .]" 1
232 1 99 GLU HB3 1 100 ASN H 3.075 . 4.350 2.832 2.344 3.328 . 0 0 "[ . 1 .]" 1
233 1 107 CYS H 1 107 CYS HB2 2.955 . 4.110 3.347 2.639 3.845 . 0 0 "[ . 1 .]" 1
234 1 107 CYS H 1 107 CYS HB3 2.955 . 4.110 3.167 2.626 3.902 . 0 0 "[ . 1 .]" 1
235 1 107 CYS HB2 1 108 THR H 3.045 . 4.290 3.926 3.457 4.394 0.104 11 0 "[ . 1 .]" 1
236 1 107 CYS HB3 1 108 THR H 3.045 . 4.290 4.103 3.451 4.304 0.014 15 0 "[ . 1 .]" 1
237 1 106 ILE HB 1 107 CYS H 3.325 . 4.850 4.167 3.976 4.296 . 0 0 "[ . 1 .]" 1
238 1 108 THR H 1 108 THR HB 2.845 . 3.890 2.809 2.618 2.894 . 0 0 "[ . 1 .]" 1
239 1 108 THR HB 1 109 VAL H 3.510 . 5.220 4.136 3.984 4.296 . 0 0 "[ . 1 .]" 1
240 1 109 VAL HB 1 110 PHE H 3.400 . 5.000 3.824 3.558 4.451 . 0 0 "[ . 1 .]" 1
241 1 112 LEU H 1 112 LEU HB2 2.875 . 3.950 2.324 2.278 2.370 . 0 0 "[ . 1 .]" 1
242 1 110 PHE HB2 1 111 GLY H 3.340 . 4.880 4.414 4.084 4.575 . 0 0 "[ . 1 .]" 1
243 1 110 PHE HB3 1 111 GLY H 3.340 . 4.880 3.822 3.733 3.936 . 0 0 "[ . 1 .]" 1
244 1 8 VAL HB 1 9 GLU H 3.125 . 4.450 2.162 1.939 2.881 . 0 0 "[ . 1 .]" 1
245 1 9 GLU H 1 9 GLU HB2 3.000 . 4.200 2.655 2.216 2.996 . 0 0 "[ . 1 .]" 1
246 1 9 GLU H 1 9 GLU HB3 2.890 . 3.980 3.568 3.359 3.801 . 0 0 "[ . 1 .]" 1
247 1 10 GLU HB3 1 11 ALA H 3.125 . 4.450 3.948 3.291 4.244 . 0 0 "[ . 1 .]" 1
248 1 10 GLU HB2 1 11 ALA H 3.280 . 4.760 4.348 4.146 4.518 . 0 0 "[ . 1 .]" 1
249 1 67 THR H 1 108 THR H 2.890 . 3.980 3.625 3.301 3.939 . 0 0 "[ . 1 .]" 1
250 1 100 ASN H 1 102 SER H 3.125 . 4.450 3.956 3.662 4.391 . 0 0 "[ . 1 .]" 1
251 1 101 LYS H 1 102 SER H 2.720 . 3.640 2.290 1.970 3.695 0.055 10 0 "[ . 1 .]" 1
252 1 101 LYS H 1 103 MET H 3.280 . 4.760 3.540 2.524 4.251 . 0 0 "[ . 1 .]" 1
253 1 100 ASN H 1 101 LYS H 3.650 . 5.500 2.511 2.149 2.986 . 0 0 "[ . 1 .]" 1
254 1 101 LYS HA 1 103 MET H 3.650 . 5.500 5.294 4.272 5.541 0.041 8 0 "[ . 1 .]" 1
255 1 102 SER HB2 1 103 MET H 3.590 . 5.380 3.881 3.572 4.615 . 0 0 "[ . 1 .]" 1
256 1 102 SER HB3 1 103 MET H 3.590 . 5.380 2.822 2.194 4.176 . 0 0 "[ . 1 .]" 1
257 1 100 ASN HA 1 102 SER H 3.650 . 5.500 5.444 4.619 5.552 0.052 14 0 "[ . 1 .]" 1
258 1 98 TRP H 1 106 ILE HA 3.125 . 4.450 2.858 2.400 3.385 . 0 0 "[ . 1 .]" 1
259 1 97 ARG HA 1 107 CYS H 2.845 . 3.890 3.465 3.172 3.742 . 0 0 "[ . 1 .]" 1
260 1 96 VAL H 1 108 THR HA 3.015 . 4.230 2.914 2.663 3.096 . 0 0 "[ . 1 .]" 1
261 1 95 THR HA 1 109 VAL H 3.400 . 5.000 3.307 3.153 3.455 . 0 0 "[ . 1 .]" 1
262 1 93 SER HA 1 111 GLY H 2.970 . 4.140 3.968 3.551 4.197 0.057 10 0 "[ . 1 .]" 1
263 1 98 TRP H 1 99 GLU H 3.245 . 4.690 4.472 4.370 4.556 . 0 0 "[ . 1 .]" 1
264 1 96 VAL H 1 107 CYS H 3.185 . 4.570 3.000 2.670 3.345 . 0 0 "[ . 1 .]" 1
265 1 94 ARG H 1 109 VAL H 3.215 . 4.630 2.959 2.601 3.341 . 0 0 "[ . 1 .]" 1
266 1 69 ILE H 1 106 ILE H 3.465 . 5.130 3.421 3.097 3.977 . 0 0 "[ . 1 .]" 1
267 1 65 VAL H 1 110 PHE H 3.555 . 5.310 3.092 2.553 4.151 . 0 0 "[ . 1 .]" 1
268 1 68 CYS HA 1 108 THR H 2.955 . 4.110 2.827 2.436 3.135 . 0 0 "[ . 1 .]" 1
269 1 7 ALA H 1 8 VAL H 3.590 . 5.380 3.478 2.722 3.942 . 0 0 "[ . 1 .]" 1
270 1 8 VAL H 1 9 GLU H 3.015 . 4.230 3.283 2.021 3.872 . 0 0 "[ . 1 .]" 1
271 1 91 ASP H 1 113 ALA H 3.650 . 5.500 3.228 2.333 5.233 . 0 0 "[ . 1 .]" 1
272 1 111 GLY H 1 112 LEU H 3.260 . 4.720 4.039 3.858 4.165 . 0 0 "[ . 1 .]" 1
273 1 66 VAL HA 1 110 PHE H 3.385 . 4.970 3.395 2.479 4.002 . 0 0 "[ . 1 .]" 1
274 1 98 TRP H 1 107 CYS H 3.635 . 5.470 3.911 3.079 4.613 . 0 0 "[ . 1 .]" 1
275 1 69 ILE H 1 107 CYS HA 3.200 . 4.600 3.452 3.291 3.682 . 0 0 "[ . 1 .]" 1
276 1 103 MET HB2 1 104 TYR H 3.650 . 5.500 4.008 1.992 4.535 . 0 0 "[ . 1 .]" 1
277 1 101 LYS HB3 1 102 SER H 3.200 . 4.600 3.262 2.265 4.361 . 0 0 "[ . 1 .]" 1
278 1 100 ASN H 1 104 TYR HA 2.985 . 4.170 4.065 3.702 4.274 0.104 2 0 "[ . 1 .]" 1
279 1 97 ARG HB3 1 98 TRP H 3.620 . 5.440 4.002 3.494 4.358 . 0 0 "[ . 1 .]" 1
280 1 92 GLY H 1 93 SER H 3.280 . 4.760 2.158 1.758 2.796 0.042 9 0 "[ . 1 .]" 1
281 1 92 GLY H 1 111 GLY H 3.370 . 4.940 4.374 3.235 4.996 0.056 14 0 "[ . 1 .]" 1
282 1 90 THR HB 1 91 ASP H 3.525 . 5.250 4.218 2.710 4.471 . 0 0 "[ . 1 .]" 1
283 1 89 THR H 1 91 ASP H 3.510 . 5.220 4.824 3.359 5.261 0.041 4 0 "[ . 1 .]" 1
284 1 90 THR H 1 91 ASP HA 3.635 . 5.470 5.076 4.787 5.326 . 0 0 "[ . 1 .]" 1
285 1 85 TRP HB2 1 86 TRP H 3.385 . 4.970 3.637 3.108 4.158 . 0 0 "[ . 1 .]" 1
286 1 75 GLY H 1 76 ALA H 3.635 . 5.470 2.771 1.990 4.216 . 0 0 "[ . 1 .]" 1
287 1 71 MET H 1 105 CYS HA 3.230 . 4.660 3.073 2.505 3.518 . 0 0 "[ . 1 .]" 1
288 1 67 THR H 1 68 CYS H 3.435 . 5.070 4.405 4.325 4.481 . 0 0 "[ . 1 .]" 1
289 1 67 THR H 1 109 VAL HA 3.325 . 4.850 3.334 2.795 3.648 . 0 0 "[ . 1 .]" 1
290 1 63 LYS H 1 64 TYR H 3.650 . 5.500 4.321 4.037 4.496 . 0 0 "[ . 1 .]" 1
291 1 62 PHE H 1 63 LYS H 3.525 . 5.250 2.588 2.342 2.746 . 0 0 "[ . 1 .]" 1
292 1 61 PRO HB2 1 62 PHE H 3.230 . 4.660 2.069 1.917 2.243 . 0 0 "[ . 1 .]" 1
293 1 61 PRO HB3 1 62 PHE H 3.230 . 4.660 3.287 2.504 3.570 . 0 0 "[ . 1 .]" 1
294 1 58 LEU H 1 59 ASN HA 3.385 . 4.970 4.609 4.376 4.855 . 0 0 "[ . 1 .]" 1
295 1 49 GLU HA 1 53 LYS H 3.230 . 4.660 3.696 3.555 3.879 . 0 0 "[ . 1 .]" 1
296 1 47 CYS H 1 49 GLU H 3.280 . 4.760 3.925 3.873 3.960 . 0 0 "[ . 1 .]" 1
297 1 41 SER H 1 43 TRP H 3.340 . 4.880 3.530 3.362 3.665 . 0 0 "[ . 1 .]" 1
298 1 39 LYS HB3 1 40 VAL H 3.650 . 5.500 3.674 3.516 3.814 . 0 0 "[ . 1 .]" 1
299 1 39 LYS HB2 1 40 VAL H 3.650 . 5.500 3.393 3.300 3.474 . 0 0 "[ . 1 .]" 1
300 1 36 SER HB2 1 39 LYS H 3.325 . 4.850 3.412 3.033 3.606 . 0 0 "[ . 1 .]" 1
301 1 37 GLU HB2 1 38 ALA H 3.140 . 4.480 3.907 3.869 4.014 . 0 0 "[ . 1 .]" 1
302 1 39 LYS H 1 39 LYS HB3 2.815 . 3.830 3.384 3.298 3.496 . 0 0 "[ . 1 .]" 1
303 1 39 LYS H 1 39 LYS HB2 2.815 . 3.830 2.198 2.120 2.312 . 0 0 "[ . 1 .]" 1
304 1 33 GLN H 1 34 GLN H 3.340 . 4.880 3.858 3.016 4.407 . 0 0 "[ . 1 .]" 1
305 1 30 LEU HA 1 33 GLN H 3.495 . 5.190 4.681 4.226 5.043 . 0 0 "[ . 1 .]" 1
306 1 31 GLN HA 1 33 GLN H 3.170 . 4.540 3.685 3.518 4.208 . 0 0 "[ . 1 .]" 1
307 1 29 VAL HA 1 31 GLN H 3.525 . 5.250 4.835 4.681 4.951 . 0 0 "[ . 1 .]" 1
308 1 22 ILE H 1 24 GLU H 3.155 . 4.510 4.360 4.219 4.474 . 0 0 "[ . 1 .]" 1
309 1 20 ASN HA 1 23 LYS H 3.245 . 4.690 3.696 3.493 3.811 . 0 0 "[ . 1 .]" 1
310 1 21 ILE HA 1 24 GLU H 3.110 . 4.420 3.950 3.754 4.073 . 0 0 "[ . 1 .]" 1
311 1 20 ASN HA 1 24 GLU H 3.590 . 5.380 3.534 3.321 3.682 . 0 0 "[ . 1 .]" 1
312 1 21 ILE HA 1 25 SER H 3.420 . 5.040 4.062 3.882 4.293 . 0 0 "[ . 1 .]" 1
313 1 5 ASP H 1 101 LYS HA 3.650 . 5.500 3.410 2.395 4.060 . 0 0 "[ . 1 .]" 1
314 1 4 VAL HB 1 5 ASP H 3.325 . 4.850 4.103 3.591 4.300 . 0 0 "[ . 1 .]" 1
315 1 49 GLU HA 1 52 ILE H 3.620 . 5.440 3.429 3.300 3.577 . 0 0 "[ . 1 .]" 1
316 1 51 CYS HA 1 53 LYS H 3.280 . 4.760 4.495 4.224 4.663 . 0 0 "[ . 1 .]" 1
317 1 51 CYS HA 1 54 ARG H 3.215 . 4.630 3.530 3.362 3.692 . 0 0 "[ . 1 .]" 1
318 1 28 ALA HA 1 30 LEU H 3.650 . 5.500 3.733 3.645 3.798 . 0 0 "[ . 1 .]" 1
319 1 28 ALA HA 1 31 GLN H 3.325 . 4.850 3.383 3.221 3.489 . 0 0 "[ . 1 .]" 1
320 1 20 ASN HA 1 22 ILE H 3.540 . 5.280 4.663 4.307 4.768 . 0 0 "[ . 1 .]" 1
321 1 17 ASP HA 1 19 SER H 3.605 . 5.410 4.503 4.369 4.607 . 0 0 "[ . 1 .]" 1
322 1 17 ASP HA 1 20 ASN H 3.525 . 5.250 4.064 3.909 4.136 . 0 0 "[ . 1 .]" 1
323 1 17 ASP HA 1 21 ILE H 3.650 . 5.500 4.754 4.194 4.997 . 0 0 "[ . 1 .]" 1
324 1 18 VAL HA 1 20 ASN H 3.420 . 5.040 4.338 4.212 4.560 . 0 0 "[ . 1 .]" 1
325 1 18 VAL HA 1 21 ILE H 3.155 . 4.510 3.434 3.301 3.734 . 0 0 "[ . 1 .]" 1
326 1 18 VAL HA 1 22 ILE H 3.400 . 5.000 4.189 3.771 4.415 . 0 0 "[ . 1 .]" 1
327 1 19 SER HA 1 21 ILE H 3.650 . 5.500 4.560 4.247 4.822 . 0 0 "[ . 1 .]" 1
328 1 21 ILE HA 1 23 LYS H 3.525 . 5.250 4.835 4.780 4.950 . 0 0 "[ . 1 .]" 1
329 1 22 ILE HA 1 24 GLU H 3.510 . 5.220 4.797 4.661 4.957 . 0 0 "[ . 1 .]" 1
330 1 22 ILE HA 1 25 SER H 3.355 . 4.910 3.568 3.439 3.706 . 0 0 "[ . 1 .]" 1
331 1 22 ILE HA 1 26 ILE H 3.385 . 4.970 4.219 3.917 4.384 . 0 0 "[ . 1 .]" 1
332 1 23 LYS HA 1 25 SER H 3.555 . 5.310 4.108 4.052 4.166 . 0 0 "[ . 1 .]" 1
333 1 23 LYS HA 1 26 ILE H 3.310 . 4.820 3.283 3.163 3.438 . 0 0 "[ . 1 .]" 1
334 1 23 LYS HA 1 27 ASP H 3.340 . 4.880 4.165 3.801 4.457 . 0 0 "[ . 1 .]" 1
335 1 24 GLU HA 1 27 ASP H 3.140 . 4.480 3.618 3.449 3.719 . 0 0 "[ . 1 .]" 1
336 1 24 GLU HA 1 28 ALA H 3.555 . 5.310 4.653 4.457 4.814 . 0 0 "[ . 1 .]" 1
337 1 25 SER HA 1 27 ASP H 3.450 . 5.100 4.393 4.283 4.481 . 0 0 "[ . 1 .]" 1
338 1 25 SER HA 1 28 ALA H 3.215 . 4.630 3.404 3.325 3.448 . 0 0 "[ . 1 .]" 1
339 1 25 SER HA 1 29 VAL H 3.650 . 5.500 3.745 3.673 3.828 . 0 0 "[ . 1 .]" 1
340 1 38 ALA H 1 40 VAL H 3.420 . 5.040 3.856 3.810 3.943 . 0 0 "[ . 1 .]" 1
341 1 56 THR H 1 58 LEU H 3.495 . 5.190 3.967 3.794 4.112 . 0 0 "[ . 1 .]" 1
342 1 64 TYR H 1 65 VAL H 3.555 . 5.310 4.377 4.242 4.490 . 0 0 "[ . 1 .]" 1
343 1 66 VAL H 1 67 THR H 3.605 . 5.410 4.157 3.972 4.520 . 0 0 "[ . 1 .]" 1
344 1 103 MET H 1 104 TYR H 3.420 . 5.040 4.510 4.103 4.663 . 0 0 "[ . 1 .]" 1
345 1 113 ALA H 1 114 ILE H 3.420 . 5.040 3.801 2.790 4.060 . 0 0 "[ . 1 .]" 1
346 1 112 LEU H 1 113 ALA H 3.170 . 4.540 4.471 4.294 4.568 0.028 14 0 "[ . 1 .]" 1
347 1 110 PHE H 1 111 GLY H 3.525 . 5.250 4.064 3.927 4.159 . 0 0 "[ . 1 .]" 1
348 1 26 ILE H 1 27 ASP H 2.890 . 3.980 2.686 2.595 2.733 . 0 0 "[ . 1 .]" 1
349 1 91 ASP H 1 92 GLY H 3.510 . 5.220 4.034 3.610 4.484 . 0 0 "[ . 1 .]" 1
350 1 39 LYS H 1 42 GLN H 3.650 . 5.500 4.836 4.680 4.954 . 0 0 "[ . 1 .]" 1
351 1 94 ARG H 1 95 THR H 3.185 . 4.570 4.027 3.767 4.331 . 0 0 "[ . 1 .]" 1
352 1 93 SER H 1 94 ARG H 3.465 . 5.130 4.129 3.653 4.485 . 0 0 "[ . 1 .]" 1
353 1 97 ARG H 1 98 TRP H 3.525 . 5.250 4.276 4.146 4.440 . 0 0 "[ . 1 .]" 1
354 1 106 ILE H 1 107 CYS H 3.295 . 4.790 4.408 4.272 4.515 . 0 0 "[ . 1 .]" 1
355 1 108 THR H 1 109 VAL H 3.295 . 4.790 4.468 4.399 4.513 . 0 0 "[ . 1 .]" 1
356 1 65 VAL H 1 66 VAL H 3.650 . 5.500 4.366 3.958 4.514 . 0 0 "[ . 1 .]" 1
357 1 68 CYS H 1 69 ILE H 3.555 . 5.310 4.348 4.228 4.446 . 0 0 "[ . 1 .]" 1
358 1 69 ILE H 1 70 ILE H 3.650 . 5.500 4.265 4.122 4.491 . 0 0 "[ . 1 .]" 1
359 1 76 ALA H 1 77 GLY H 3.650 . 5.500 4.493 4.189 4.616 . 0 0 "[ . 1 .]" 1
360 1 3 GLY H 1 4 VAL H 3.570 . 5.340 2.899 1.978 3.919 . 0 0 "[ . 1 .]" 1
361 1 4 VAL H 1 5 ASP H 3.650 . 5.500 4.447 4.283 4.593 . 0 0 "[ . 1 .]" 1
362 1 9 GLU H 1 10 GLU H 3.295 . 4.790 3.725 3.308 4.017 . 0 0 "[ . 1 .]" 1
363 1 10 GLU H 1 11 ALA H 3.295 . 4.790 4.531 4.465 4.635 . 0 0 "[ . 1 .]" 1
364 1 11 ALA H 1 12 ALA H 3.280 . 4.760 4.516 4.468 4.568 . 0 0 "[ . 1 .]" 1
365 1 12 ALA H 1 13 PHE H 3.260 . 4.720 4.202 3.771 4.633 . 0 0 "[ . 1 .]" 1
366 1 14 VAL H 1 15 ALA H 3.260 . 4.720 4.440 3.713 4.649 . 0 0 "[ . 1 .]" 1
367 1 9 GLU H 1 98 TRP HA 3.570 . 5.340 5.135 3.241 5.480 0.140 10 0 "[ . 1 .]" 1
368 1 12 ALA HA 1 95 THR H 3.420 . 5.040 4.591 3.888 5.078 0.038 1 0 "[ . 1 .]" 1
369 1 7 ALA H 1 99 GLU H 3.540 . 5.280 2.441 1.932 3.445 . 0 0 "[ . 1 .]" 1
370 1 7 ALA H 1 100 ASN HA 3.650 . 5.500 3.905 3.405 4.158 . 0 0 "[ . 1 .]" 1
371 1 10 GLU HA 1 97 ARG H 3.355 . 4.910 3.492 2.659 4.383 . 0 0 "[ . 1 .]" 1
372 1 101 LYS HB2 1 102 SER H 3.200 . 4.600 3.712 3.399 4.625 0.025 10 0 "[ . 1 .]" 1
373 1 103 MET HB3 1 104 TYR H 3.650 . 5.500 3.552 2.513 4.342 . 0 0 "[ . 1 .]" 1
374 1 37 GLU HB3 1 38 ALA H 3.310 . 4.820 2.671 2.631 2.856 . 0 0 "[ . 1 .]" 1
375 1 37 GLU HA 1 39 LYS H 3.650 . 5.500 3.842 3.553 3.969 . 0 0 "[ . 1 .]" 1
376 1 37 GLU HA 1 40 VAL H 3.325 . 4.850 2.882 2.841 2.974 . 0 0 "[ . 1 .]" 1
377 1 37 GLU HA 1 41 SER H 3.465 . 5.130 4.971 4.805 5.155 0.025 10 0 "[ . 1 .]" 1
378 1 43 TRP HA 1 45 SER H 3.650 . 5.500 3.981 3.831 4.222 . 0 0 "[ . 1 .]" 1
379 1 43 TRP HA 1 46 SER H 3.525 . 5.250 3.355 3.105 3.764 . 0 0 "[ . 1 .]" 1
380 1 43 TRP HA 1 47 CYS H 3.650 . 5.500 4.371 4.173 4.695 . 0 0 "[ . 1 .]" 1
381 1 46 SER HA 1 48 LEU H 3.650 . 5.500 4.206 4.116 4.386 . 0 0 "[ . 1 .]" 1
382 1 50 HIS HA 1 54 ARG H 3.650 . 5.500 4.066 3.685 4.254 . 0 0 "[ . 1 .]" 1
383 1 50 HIS HA 1 53 LYS H 3.495 . 5.190 3.658 3.476 3.774 . 0 0 "[ . 1 .]" 1
384 1 50 HIS HA 1 52 ILE H 3.650 . 5.500 4.628 4.529 4.830 . 0 0 "[ . 1 .]" 1
385 1 19 SER HA 1 23 LYS H 3.650 . 5.500 4.291 3.941 4.535 . 0 0 "[ . 1 .]" 1
386 1 19 SER HA 1 22 ILE H 3.650 . 5.500 3.959 3.733 4.101 . 0 0 "[ . 1 .]" 1
387 1 112 LEU HA 1 114 ILE H 3.355 . 4.910 4.868 4.181 4.990 0.080 15 0 "[ . 1 .]" 1
388 1 97 ARG HB2 1 98 TRP H 3.620 . 5.440 4.436 4.201 4.593 . 0 0 "[ . 1 .]" 1
389 1 89 THR HB 1 90 THR H 3.590 . 5.380 3.958 3.802 4.410 . 0 0 "[ . 1 .]" 1
390 1 36 SER HB3 1 39 LYS H 3.325 . 4.850 2.607 2.273 2.967 . 0 0 "[ . 1 .]" 1
391 1 78 LEU H 1 79 HIS H 3.650 . 5.500 4.208 3.741 4.475 . 0 0 "[ . 1 .]" 1
392 1 87 ASP H 1 88 SER H 3.420 . 5.040 3.119 1.996 4.251 . 0 0 "[ . 1 .]" 1
393 1 88 SER H 1 89 THR H 3.140 . 4.480 2.565 2.385 2.703 . 0 0 "[ . 1 .]" 1
394 1 86 TRP H 1 87 ASP H 3.555 . 5.310 4.528 4.439 4.573 . 0 0 "[ . 1 .]" 1
395 1 87 ASP HA 1 90 THR H 3.555 . 5.310 4.218 3.193 5.290 . 0 0 "[ . 1 .]" 1
396 1 105 CYS H 1 106 ILE H 3.650 . 5.500 4.019 3.768 4.370 . 0 0 "[ . 1 .]" 1
397 1 104 TYR H 1 105 CYS H 3.650 . 5.500 4.476 4.353 4.566 . 0 0 "[ . 1 .]" 1
398 1 99 GLU H 1 104 TYR HA 3.480 . 5.160 5.145 4.636 5.255 0.095 13 0 "[ . 1 .]" 1
399 1 71 MET H 1 104 TYR H 3.650 . 5.500 3.542 2.794 4.066 . 0 0 "[ . 1 .]" 1
400 1 74 ASN H 1 75 GLY H 3.200 . 4.600 3.037 1.993 4.220 . 0 0 "[ . 1 .]" 1
401 1 83 SER H 1 84 CYS H 3.510 . 5.220 4.158 4.028 4.374 . 0 0 "[ . 1 .]" 1
402 1 65 VAL H 1 111 GLY HA3 3.650 . 5.500 5.088 4.744 5.500 0.000 13 0 "[ . 1 .]" 1
403 1 70 ILE HA 1 106 ILE H 3.570 . 5.340 3.328 3.063 3.558 . 0 0 "[ . 1 .]" 1
404 1 73 LYS H 1 103 MET HA 3.650 . 5.500 3.051 2.047 4.168 . 0 0 "[ . 1 .]" 1
405 1 72 GLN HA 1 104 TYR H 3.650 . 5.500 4.160 3.720 4.454 . 0 0 "[ . 1 .]" 1
406 1 99 GLU HA 1 105 CYS H 3.650 . 5.500 3.398 2.564 3.906 . 0 0 "[ . 1 .]" 1
407 1 7 ALA HA 1 99 GLU H 3.605 . 5.410 2.390 1.979 3.387 . 0 0 "[ . 1 .]" 1
408 1 9 GLU HB3 1 10 GLU H 3.650 . 5.500 4.224 4.066 4.514 . 0 0 "[ . 1 .]" 1
409 1 9 GLU HB2 1 10 GLU H 3.650 . 5.500 4.461 4.311 4.635 . 0 0 "[ . 1 .]" 1
410 1 37 GLU H 1 38 ALA H 3.650 . 5.500 2.713 2.568 2.822 . 0 0 "[ . 1 .]" 1
411 1 16 ASP H 1 17 ASP H 3.590 . 5.380 2.697 2.559 2.849 . 0 0 "[ . 1 .]" 1
412 1 15 ALA HA 1 17 ASP H 3.650 . 5.500 3.596 3.154 4.509 . 0 0 "[ . 1 .]" 1
413 1 15 ALA HA 1 18 VAL H 3.420 . 5.040 4.182 3.599 5.010 . 0 0 "[ . 1 .]" 1
414 1 15 ALA HA 1 19 SER H 3.650 . 5.500 4.877 4.356 5.068 . 0 0 "[ . 1 .]" 1
415 1 8 VAL H 1 10 GLU H 3.570 . 5.340 4.964 3.877 5.374 0.034 1 0 "[ . 1 .]" 1
416 1 8 VAL HA 1 10 GLU H 3.650 . 5.500 4.936 4.289 5.509 0.009 10 0 "[ . 1 .]" 1
417 1 11 ALA H 1 97 ARG H 3.650 . 5.500 2.271 1.968 2.900 . 0 0 "[ . 1 .]" 1
418 1 11 ALA H 1 96 VAL HA 3.435 . 5.070 2.764 2.091 3.618 . 0 0 "[ . 1 .]" 1
419 1 92 GLY H 1 112 LEU HA 3.420 . 5.040 4.415 3.619 5.013 . 0 0 "[ . 1 .]" 1
420 1 88 SER HB2 1 89 THR H 3.420 . 5.040 3.789 2.939 4.528 . 0 0 "[ . 1 .]" 1
421 1 88 SER HB3 1 89 THR H 3.420 . 5.040 3.478 2.858 4.383 . 0 0 "[ . 1 .]" 1
422 1 91 ASP HA 1 113 ALA H 3.650 . 5.500 5.441 4.792 5.821 0.321 6 0 "[ . 1 .]" 1
423 1 63 LYS H 1 112 LEU H 3.650 . 5.500 5.052 4.629 5.413 . 0 0 "[ . 1 .]" 1
424 1 85 TRP HB3 1 86 TRP H 3.385 . 4.970 2.531 1.981 3.619 . 0 0 "[ . 1 .]" 1
425 1 74 ASN H 1 76 ALA H 3.355 . 4.910 4.629 2.822 5.152 0.242 3 0 "[ . 1 .]" 1
426 1 94 ARG HB2 1 95 THR H 3.295 . 4.790 4.361 3.970 4.643 . 0 0 "[ . 1 .]" 1
427 1 94 ARG HB3 1 95 THR H 3.295 . 4.790 3.706 3.227 4.128 . 0 0 "[ . 1 .]" 1
428 1 96 VAL HB 1 97 ARG H 3.420 . 5.040 4.063 3.598 4.302 . 0 0 "[ . 1 .]" 1
429 1 93 SER HB2 1 94 ARG H 3.650 . 5.500 3.924 3.119 4.588 . 0 0 "[ . 1 .]" 1
430 1 93 SER HB3 1 94 ARG H 3.650 . 5.500 4.093 3.116 4.564 . 0 0 "[ . 1 .]" 1
431 1 64 TYR HB2 1 65 VAL H 3.650 . 5.500 3.732 2.955 4.479 . 0 0 "[ . 1 .]" 1
432 1 64 TYR HB3 1 65 VAL H 3.650 . 5.500 3.519 3.085 4.356 . 0 0 "[ . 1 .]" 1
433 1 73 LYS H 1 103 MET H 3.650 . 5.500 4.922 4.410 5.522 0.022 2 0 "[ . 1 .]" 1
434 1 12 ALA H 1 95 THR H 3.650 . 5.500 5.293 4.546 5.575 0.075 5 0 "[ . 1 .]" 1
435 1 12 ALA H 1 96 VAL HA 3.355 . 4.910 4.820 4.548 4.941 0.031 2 0 "[ . 1 .]" 1
436 1 34 GLN H 1 35 TYR H 3.480 . 5.160 4.487 4.390 4.589 . 0 0 "[ . 1 .]" 1
437 1 34 GLN HB3 1 35 TYR H 3.525 . 5.250 2.819 2.653 3.261 . 0 0 "[ . 1 .]" 1
438 1 34 GLN HB2 1 35 TYR H 3.465 . 5.130 3.816 3.744 3.965 . 0 0 "[ . 1 .]" 1
439 1 8 VAL H 1 98 TRP HA 3.650 . 5.500 5.234 3.306 5.651 0.151 10 0 "[ . 1 .]" 1
440 1 35 TYR HB3 1 36 SER H 3.650 . 5.500 4.429 4.358 4.531 . 0 0 "[ . 1 .]" 1
441 1 35 TYR HB2 1 36 SER H 3.650 . 5.500 4.385 4.215 4.501 . 0 0 "[ . 1 .]" 1
442 1 5 ASP H 1 100 ASN HA 3.650 . 5.500 3.786 3.255 4.253 . 0 0 "[ . 1 .]" 1
443 1 87 ASP HA 1 89 THR H 3.355 . 4.910 3.605 3.190 4.125 . 0 0 "[ . 1 .]" 1
444 1 95 THR HB 1 96 VAL H 3.555 . 5.310 4.013 3.890 4.101 . 0 0 "[ . 1 .]" 1
445 1 88 SER H 1 90 THR H 3.245 . 4.690 4.331 3.860 4.746 0.056 13 0 "[ . 1 .]" 1
446 1 91 ASP HA 1 93 SER H 3.170 . 4.540 4.030 3.253 4.649 0.109 10 0 "[ . 1 .]" 1
447 1 73 LYS HB3 1 74 ASN H 3.650 . 5.500 2.983 1.974 4.588 . 0 0 "[ . 1 .]" 1
448 1 73 LYS HB2 1 74 ASN H 3.650 . 5.500 3.650 1.974 4.646 . 0 0 "[ . 1 .]" 1
449 1 73 LYS HA 1 75 GLY H 3.650 . 5.500 4.994 3.612 5.554 0.054 12 0 "[ . 1 .]" 1
450 1 73 LYS H 1 74 ASN H 3.650 . 5.500 4.420 3.852 4.672 . 0 0 "[ . 1 .]" 1
451 1 64 TYR HA 1 112 LEU H 3.400 . 5.000 2.600 2.291 2.983 . 0 0 "[ . 1 .]" 1
452 1 63 LYS HB2 1 64 TYR H 3.650 . 5.500 4.504 4.338 4.655 . 0 0 "[ . 1 .]" 1
453 1 63 LYS HB3 1 64 TYR H 3.650 . 5.500 4.025 3.392 4.484 . 0 0 "[ . 1 .]" 1
454 1 93 SER H 1 111 GLY H 3.355 . 4.910 3.558 2.834 4.493 . 0 0 "[ . 1 .]" 1
455 1 93 SER H 1 110 PHE HA 3.590 . 5.380 2.861 1.980 3.646 . 0 0 "[ . 1 .]" 1
456 1 30 LEU H 1 32 ASN H 3.650 . 5.500 3.208 3.106 3.353 . 0 0 "[ . 1 .]" 1
457 1 60 LYS H 1 61 PRO HA 3.650 . 5.500 4.244 3.699 4.768 . 0 0 "[ . 1 .]" 1
458 1 63 LYS H 1 114 ILE H 3.465 . 5.130 2.849 1.964 5.171 0.041 6 0 "[ . 1 .]" 1
459 1 60 LYS HA 1 62 PHE H 3.260 . 4.720 4.434 4.010 4.791 0.071 14 0 "[ . 1 .]" 1
460 1 56 THR HA 1 60 LYS H 3.650 . 5.500 4.739 3.413 5.505 0.005 5 0 "[ . 1 .]" 1
461 1 63 LYS H 1 113 ALA HA 3.555 . 5.310 4.028 3.181 4.949 . 0 0 "[ . 1 .]" 1
462 1 63 LYS HA 1 112 LEU H 3.650 . 5.500 5.284 5.135 5.394 . 0 0 "[ . 1 .]" 1
463 1 71 MET H 1 71 MET HG2 3.650 . 5.500 4.262 3.240 4.815 . 0 0 "[ . 1 .]" 1
464 1 26 ILE H 1 26 ILE QG 4.090 . 6.380 3.392 3.278 3.588 . 0 0 "[ . 1 .]" 1
465 1 26 ILE QG 1 27 ASP H 4.090 . 6.380 4.490 4.457 4.521 . 0 0 "[ . 1 .]" 1
466 1 26 ILE QG 1 28 ALA H 4.090 . 6.380 5.753 5.703 5.813 . 0 0 "[ . 1 .]" 1
467 1 21 ILE H 1 21 ILE QG 4.090 . 6.380 2.083 1.971 2.245 . 0 0 "[ . 1 .]" 1
468 1 21 ILE QG 1 22 ILE H 4.090 . 6.380 4.017 3.927 4.127 . 0 0 "[ . 1 .]" 1
469 1 23 LYS H 1 23 LYS HG2 3.650 . 5.500 3.686 3.313 4.230 . 0 0 "[ . 1 .]" 1
470 1 23 LYS H 1 23 LYS HG3 3.650 . 5.500 2.455 1.990 3.540 . 0 0 "[ . 1 .]" 1
471 1 23 LYS H 1 23 LYS HD2 3.650 . 5.500 4.255 3.768 4.735 . 0 0 "[ . 1 .]" 1
472 1 23 LYS H 1 23 LYS HD3 3.650 . 5.500 4.517 4.258 5.436 . 0 0 "[ . 1 .]" 1
473 1 23 LYS HD3 1 24 GLU H 3.650 . 5.500 5.325 4.818 5.804 0.304 4 0 "[ . 1 .]" 1
474 1 23 LYS HD2 1 24 GLU H 3.650 . 5.500 5.216 4.381 5.583 0.083 7 0 "[ . 1 .]" 1
475 1 23 LYS HG3 1 24 GLU H 3.650 . 5.500 4.406 4.014 5.004 . 0 0 "[ . 1 .]" 1
476 1 23 LYS HG2 1 24 GLU H 3.650 . 5.500 4.894 4.748 5.066 . 0 0 "[ . 1 .]" 1
477 1 24 GLU H 1 24 GLU HG3 3.245 . 4.690 3.487 2.874 4.127 . 0 0 "[ . 1 .]" 1
478 1 24 GLU H 1 24 GLU HG2 3.245 . 4.690 3.483 2.523 4.376 . 0 0 "[ . 1 .]" 1
479 1 24 GLU HG2 1 25 SER H 3.650 . 5.500 4.953 4.573 5.295 . 0 0 "[ . 1 .]" 1
480 1 24 GLU HG3 1 25 SER H 3.650 . 5.500 4.969 4.756 5.180 . 0 0 "[ . 1 .]" 1
481 1 30 LEU H 1 30 LEU HG 3.650 . 5.500 4.462 4.270 4.595 . 0 0 "[ . 1 .]" 1
482 1 30 LEU HG 1 31 GLN H 3.650 . 5.500 5.296 5.255 5.379 . 0 0 "[ . 1 .]" 1
483 1 31 GLN H 1 31 GLN HG2 3.650 . 5.500 4.553 4.531 4.595 . 0 0 "[ . 1 .]" 1
484 1 31 GLN H 1 31 GLN HG3 3.650 . 5.500 4.403 4.358 4.445 . 0 0 "[ . 1 .]" 1
485 1 34 GLN H 1 34 GLN HG2 3.650 . 5.500 4.671 4.379 5.039 . 0 0 "[ . 1 .]" 1
486 1 34 GLN H 1 34 GLN HG3 3.650 . 5.500 4.519 4.241 4.857 . 0 0 "[ . 1 .]" 1
487 1 39 LYS H 1 39 LYS HG2 3.650 . 5.500 4.403 4.306 4.534 . 0 0 "[ . 1 .]" 1
488 1 39 LYS H 1 39 LYS HG3 3.650 . 5.500 4.258 4.012 4.485 . 0 0 "[ . 1 .]" 1
489 1 39 LYS H 1 39 LYS HD2 3.650 . 5.500 4.619 4.423 4.870 . 0 0 "[ . 1 .]" 1
490 1 39 LYS H 1 39 LYS HD3 3.650 . 5.500 2.981 2.771 3.224 . 0 0 "[ . 1 .]" 1
491 1 39 LYS H 1 39 LYS HE2 3.650 . 5.500 3.244 3.047 3.458 . 0 0 "[ . 1 .]" 1
492 1 39 LYS H 1 39 LYS HE3 3.650 . 5.500 4.320 3.605 4.815 . 0 0 "[ . 1 .]" 1
493 1 39 LYS HG3 1 40 VAL H 3.650 . 5.500 5.197 5.111 5.265 . 0 0 "[ . 1 .]" 1
494 1 39 LYS HG2 1 40 VAL H 3.650 . 5.500 5.566 5.500 5.610 0.110 8 0 "[ . 1 .]" 1
495 1 42 GLN H 1 42 GLN HG2 3.650 . 5.500 3.282 2.023 4.199 . 0 0 "[ . 1 .]" 1
496 1 42 GLN H 1 42 GLN HG3 3.650 . 5.500 3.830 3.262 4.271 . 0 0 "[ . 1 .]" 1
497 1 42 GLN HG2 1 43 TRP H 3.650 . 5.500 4.874 4.117 5.364 . 0 0 "[ . 1 .]" 1
498 1 42 GLN HG3 1 43 TRP H 3.650 . 5.500 5.118 4.794 5.279 . 0 0 "[ . 1 .]" 1
499 1 48 LEU H 1 48 LEU HG 3.420 . 5.040 4.287 4.190 4.406 . 0 0 "[ . 1 .]" 1
500 1 48 LEU HG 1 49 GLU H 3.650 . 5.500 5.248 5.204 5.298 . 0 0 "[ . 1 .]" 1
501 1 49 GLU H 1 49 GLU HG2 3.650 . 5.500 4.472 4.458 4.502 . 0 0 "[ . 1 .]" 1
502 1 49 GLU H 1 49 GLU HG3 3.650 . 5.500 4.481 4.411 4.558 . 0 0 "[ . 1 .]" 1
503 1 49 GLU HG3 1 50 HIS H 3.650 . 5.500 5.139 4.992 5.189 . 0 0 "[ . 1 .]" 1
504 1 49 GLU HG2 1 50 HIS H 3.650 . 5.500 4.271 4.085 4.407 . 0 0 "[ . 1 .]" 1
505 1 52 ILE H 1 52 ILE QG 3.810 . 5.820 3.978 3.912 4.065 . 0 0 "[ . 1 .]" 1
506 1 52 ILE QG 1 53 LYS H 4.090 . 6.380 4.174 3.539 4.413 . 0 0 "[ . 1 .]" 1
507 1 53 LYS H 1 53 LYS HG2 3.650 . 5.500 3.451 2.015 4.006 . 0 0 "[ . 1 .]" 1
508 1 53 LYS H 1 53 LYS HG3 3.650 . 5.500 3.907 3.155 4.277 . 0 0 "[ . 1 .]" 1
509 1 53 LYS H 1 53 LYS HD2 3.650 . 5.500 2.815 2.075 4.756 . 0 0 "[ . 1 .]" 1
510 1 53 LYS H 1 53 LYS QE 3.650 . 5.500 3.490 3.020 4.371 . 0 0 "[ . 1 .]" 1
511 1 53 LYS HG3 1 54 ARG H 3.650 . 5.500 5.120 4.799 5.355 . 0 0 "[ . 1 .]" 1
512 1 53 LYS HG2 1 54 ARG H 3.650 . 5.500 5.000 4.257 5.380 . 0 0 "[ . 1 .]" 1
513 1 54 ARG H 1 54 ARG HG2 3.650 . 5.500 4.050 3.295 4.673 . 0 0 "[ . 1 .]" 1
514 1 54 ARG H 1 54 ARG HG3 3.650 . 5.500 4.330 3.801 4.482 . 0 0 "[ . 1 .]" 1
515 1 54 ARG H 1 54 ARG HD2 3.650 . 5.500 5.301 4.267 5.582 0.082 15 0 "[ . 1 .]" 1
516 1 54 ARG H 1 54 ARG HD3 3.650 . 5.500 4.775 4.320 5.592 0.092 2 0 "[ . 1 .]" 1
517 1 54 ARG HG3 1 55 LEU H 3.650 . 5.500 4.677 3.855 5.285 . 0 0 "[ . 1 .]" 1
518 1 54 ARG HG2 1 55 LEU H 3.650 . 5.500 4.710 4.166 5.024 . 0 0 "[ . 1 .]" 1
519 1 55 LEU H 1 55 LEU HG 3.650 . 5.500 2.597 1.953 4.224 . 0 0 "[ . 1 .]" 1
520 1 55 LEU HG 1 56 THR H 3.650 . 5.500 4.531 4.104 5.049 . 0 0 "[ . 1 .]" 1
521 1 58 LEU H 1 58 LEU HG 3.650 . 5.500 3.968 3.463 4.317 . 0 0 "[ . 1 .]" 1
522 1 58 LEU HG 1 59 ASN H 3.650 . 5.500 5.150 4.664 5.565 0.065 15 0 "[ . 1 .]" 1
523 1 69 ILE H 1 69 ILE QG 4.090 . 6.380 3.383 2.719 3.741 . 0 0 "[ . 1 .]" 1
524 1 69 ILE QG 1 70 ILE H 4.090 . 6.380 4.111 3.975 4.192 . 0 0 "[ . 1 .]" 1
525 1 70 ILE H 1 70 ILE QG 4.090 . 6.380 2.037 1.962 2.181 . 0 0 "[ . 1 .]" 1
526 1 71 MET H 1 71 MET HG3 3.650 . 5.500 4.044 2.883 4.854 . 0 0 "[ . 1 .]" 1
527 1 71 MET HG2 1 72 GLN H 3.650 . 5.500 4.310 3.248 5.253 . 0 0 "[ . 1 .]" 1
528 1 71 MET HG3 1 72 GLN H 3.650 . 5.500 4.926 3.885 5.539 0.039 11 0 "[ . 1 .]" 1
529 1 72 GLN H 1 72 GLN HG2 3.650 . 5.500 4.521 4.398 4.700 . 0 0 "[ . 1 .]" 1
530 1 72 GLN H 1 72 GLN HG3 3.650 . 5.500 4.322 3.918 4.634 . 0 0 "[ . 1 .]" 1
531 1 78 LEU H 1 78 LEU HG 3.650 . 5.500 4.738 4.391 5.044 . 0 0 "[ . 1 .]" 1
532 1 99 GLU H 1 99 GLU HG3 3.295 . 4.790 3.449 2.612 4.119 . 0 0 "[ . 1 .]" 1
533 1 99 GLU H 1 99 GLU HG2 3.650 . 5.500 4.127 2.609 4.972 . 0 0 "[ . 1 .]" 1
534 1 99 GLU HG3 1 100 ASN H 3.650 . 5.500 4.695 3.698 5.470 . 0 0 "[ . 1 .]" 1
535 1 99 GLU HG2 1 100 ASN H 3.650 . 5.500 4.445 3.599 5.346 . 0 0 "[ . 1 .]" 1
536 1 103 MET H 1 103 MET HG2 3.650 . 5.500 4.289 2.324 5.170 . 0 0 "[ . 1 .]" 1
537 1 103 MET H 1 103 MET HG3 3.650 . 5.500 3.994 2.170 5.180 . 0 0 "[ . 1 .]" 1
538 1 106 ILE H 1 106 ILE QG 4.090 . 6.380 3.957 3.939 3.997 . 0 0 "[ . 1 .]" 1
539 1 106 ILE QG 1 107 CYS H 3.900 . 6.000 2.626 2.131 2.951 . 0 0 "[ . 1 .]" 1
540 1 112 LEU H 1 112 LEU HG 3.650 . 5.500 4.114 3.953 4.226 . 0 0 "[ . 1 .]" 1
541 1 2 GLU H 1 2 GLU HG3 3.650 . 5.500 4.603 4.209 4.955 . 0 0 "[ . 1 .]" 1
542 1 2 GLU H 1 2 GLU HG2 3.650 . 5.500 4.537 4.301 4.842 . 0 0 "[ . 1 .]" 1
543 1 9 GLU H 1 9 GLU HG2 3.650 . 5.500 3.147 2.002 3.971 . 0 0 "[ . 1 .]" 1
544 1 9 GLU H 1 9 GLU HG3 3.650 . 5.500 3.265 2.120 4.307 . 0 0 "[ . 1 .]" 1
545 1 10 GLU H 1 10 GLU HG2 3.650 . 5.500 4.455 4.287 4.653 . 0 0 "[ . 1 .]" 1
546 1 10 GLU H 1 10 GLU HG3 3.650 . 5.500 4.402 4.038 4.608 . 0 0 "[ . 1 .]" 1
547 1 10 GLU HG2 1 11 ALA H 3.650 . 5.500 3.209 2.217 4.633 . 0 0 "[ . 1 .]" 1
548 1 10 GLU HG3 1 11 ALA H 3.650 . 5.500 3.873 2.224 4.673 . 0 0 "[ . 1 .]" 1
549 1 59 ASN H 1 59 ASN HD21 3.650 . 5.500 4.024 3.143 5.407 . 0 0 "[ . 1 .]" 1
550 1 59 ASN HA 1 59 ASN HD22 3.650 . 5.500 5.122 5.061 5.371 . 0 0 "[ . 1 .]" 1
551 1 59 ASN HA 1 59 ASN HD21 3.650 . 5.500 4.073 3.947 4.604 . 0 0 "[ . 1 .]" 1
552 1 59 ASN H 1 59 ASN HD22 3.650 . 5.500 4.937 4.504 5.523 0.023 15 0 "[ . 1 .]" 1
553 1 42 GLN HA 1 42 GLN HE21 3.650 . 5.500 2.922 1.990 4.780 . 0 0 "[ . 1 .]" 1
554 1 42 GLN HB2 1 42 GLN HE21 3.650 . 5.500 3.811 2.670 4.499 . 0 0 "[ . 1 .]" 1
555 1 42 GLN HB3 1 42 GLN HE21 3.650 . 5.500 3.882 2.120 4.448 . 0 0 "[ . 1 .]" 1
556 1 42 GLN HA 1 42 GLN HE22 3.650 . 5.500 3.755 2.900 4.952 . 0 0 "[ . 1 .]" 1
557 1 42 GLN HB3 1 42 GLN HE22 3.650 . 5.500 4.756 3.749 5.304 . 0 0 "[ . 1 .]" 1
558 1 42 GLN HB2 1 42 GLN HE22 3.650 . 5.500 4.629 3.848 5.246 . 0 0 "[ . 1 .]" 1
559 1 43 TRP H 1 43 TRP HE1 3.650 . 5.500 5.455 5.279 5.571 0.071 8 0 "[ . 1 .]" 1
560 1 86 TRP H 1 86 TRP HE1 3.650 . 5.500 5.344 4.851 5.539 0.039 4 0 "[ . 1 .]" 1
561 1 26 ILE QG 1 98 TRP HE1 4.090 . 6.380 3.873 3.496 4.328 . 0 0 "[ . 1 .]" 1
562 1 114 ILE H 1 114 ILE QG 4.090 . 6.380 2.662 2.476 2.907 . 0 0 "[ . 1 .]" 1
563 1 110 PHE QE 1 111 GLY H 4.710 . 7.620 6.396 6.070 6.748 . 0 0 "[ . 1 .]" 1
564 1 110 PHE H 1 110 PHE QE 4.710 . 7.620 4.879 4.471 5.229 . 0 0 "[ . 1 .]" 1
565 1 106 ILE QG 1 108 THR H 4.090 . 6.380 3.991 3.766 4.114 . 0 0 "[ . 1 .]" 1
566 1 103 MET H 1 104 TYR QD 4.720 . 7.640 4.775 3.225 5.444 . 0 0 "[ . 1 .]" 1
567 1 102 SER H 1 104 TYR QD 4.720 . 7.640 5.509 4.214 6.464 . 0 0 "[ . 1 .]" 1
568 1 100 ASN H 1 104 TYR QD 4.720 . 7.640 4.246 3.060 6.128 . 0 0 "[ . 1 .]" 1
569 1 26 ILE HA 1 98 TRP HE1 3.650 . 5.500 5.236 4.918 5.612 0.112 6 0 "[ . 1 .]" 1
570 1 27 ASP HA 1 98 TRP HE1 3.650 . 5.500 5.185 4.755 5.458 . 0 0 "[ . 1 .]" 1
571 1 98 TRP H 1 104 TYR QD 4.720 . 7.640 6.179 5.419 6.696 . 0 0 "[ . 1 .]" 1
572 1 93 SER H 1 110 PHE QE 4.710 . 7.620 4.853 3.861 5.853 . 0 0 "[ . 1 .]" 1
573 1 92 GLY H 1 112 LEU HG 3.650 . 5.500 4.429 3.728 5.007 . 0 0 "[ . 1 .]" 1
574 1 92 GLY H 1 110 PHE QE 4.710 . 7.620 5.774 4.043 7.083 . 0 0 "[ . 1 .]" 1
575 1 86 TRP H 1 86 TRP HE3 3.650 . 5.500 4.773 2.797 5.537 0.037 11 0 "[ . 1 .]" 1
576 1 62 PHE QD 1 63 LYS H 4.710 . 7.620 3.789 2.252 4.248 . 0 0 "[ . 1 .]" 1
577 1 49 GLU H 1 50 HIS HD2 3.650 . 5.500 4.380 3.701 4.730 . 0 0 "[ . 1 .]" 1
578 1 50 HIS H 1 50 HIS HD2 3.650 . 5.500 3.092 2.402 3.438 . 0 0 "[ . 1 .]" 1
579 1 48 LEU H 1 50 HIS HD2 3.650 . 5.500 5.519 5.438 5.572 0.072 10 0 "[ . 1 .]" 1
580 1 39 LYS HA 1 43 TRP HE1 3.650 . 5.500 5.221 5.115 5.375 . 0 0 "[ . 1 .]" 1
581 1 39 LYS HB3 1 43 TRP HE1 3.650 . 5.500 2.571 2.425 2.720 . 0 0 "[ . 1 .]" 1
582 1 34 GLN HE22 1 35 TYR H 3.650 . 5.500 5.143 3.527 5.507 0.007 7 0 "[ . 1 .]" 1
583 1 33 GLN H 1 33 GLN HG3 3.650 . 5.500 4.602 4.439 5.151 . 0 0 "[ . 1 .]" 1
584 1 23 LYS H 1 98 TRP HZ2 3.650 . 5.500 5.232 2.751 5.689 0.189 13 0 "[ . 1 .]" 1
585 1 36 SER H 1 43 TRP HD1 3.650 . 5.500 4.889 4.038 5.885 0.385 14 0 "[ . 1 .]" 1
586 1 35 TYR QE 1 36 SER H 4.715 . 7.630 4.848 4.303 5.123 . 0 0 "[ . 1 .]" 1
587 1 43 TRP HA 1 43 TRP HE1 3.650 . 5.500 5.185 4.573 5.645 0.145 9 0 "[ . 1 .]" 1
588 1 26 ILE QG 1 29 VAL H 4.090 . 6.380 5.085 4.892 5.260 . 0 0 "[ . 1 .]" 1
589 1 13 PHE QE 1 14 VAL H 4.710 . 7.620 6.209 4.586 6.691 . 0 0 "[ . 1 .]" 1
590 1 13 PHE QD 1 14 VAL H 4.710 . 7.620 4.340 2.962 4.886 . 0 0 "[ . 1 .]" 1
591 1 37 GLU H 1 37 GLU HG2 3.650 . 5.500 4.601 4.580 4.621 . 0 0 "[ . 1 .]" 1
592 1 37 GLU H 1 37 GLU HG3 3.650 . 5.500 4.408 4.398 4.422 . 0 0 "[ . 1 .]" 1
593 1 37 GLU HG2 1 38 ALA H 3.650 . 5.500 4.229 4.162 4.524 . 0 0 "[ . 1 .]" 1
594 1 37 GLU HG3 1 38 ALA H 3.650 . 5.500 4.173 4.159 4.202 . 0 0 "[ . 1 .]" 1
595 1 53 LYS H 1 53 LYS HD3 3.650 . 5.500 3.970 3.728 4.487 . 0 0 "[ . 1 .]" 1
596 1 69 ILE H 1 106 ILE HB 3.650 . 5.500 4.876 4.735 5.040 . 0 0 "[ . 1 .]" 1
597 1 69 ILE HB 1 106 ILE H 3.650 . 5.500 4.046 3.859 4.226 . 0 0 "[ . 1 .]" 1
598 1 26 ILE QG 1 98 TRP H 4.090 . 6.380 5.431 5.143 5.546 . 0 0 "[ . 1 .]" 1
599 1 33 GLN H 1 33 GLN HG2 3.650 . 5.500 4.921 4.493 5.107 . 0 0 "[ . 1 .]" 1
600 1 99 GLU H 1 104 TYR QD 4.720 . 7.640 5.552 4.885 6.257 . 0 0 "[ . 1 .]" 1
601 1 94 ARG H 1 110 PHE QE 4.710 . 7.620 3.868 3.433 5.266 . 0 0 "[ . 1 .]" 1
602 1 30 LEU HA 1 43 TRP HE1 3.650 . 5.500 3.937 3.772 4.095 . 0 0 "[ . 1 .]" 1
603 1 32 ASN HD22 1 43 TRP HE1 3.650 . 5.500 4.025 3.101 4.450 . 0 0 "[ . 1 .]" 1
604 1 32 ASN HD21 1 43 TRP HE1 3.650 . 5.500 5.477 4.816 5.583 0.083 6 0 "[ . 1 .]" 1
605 1 39 LYS HB2 1 43 TRP HE1 3.650 . 5.500 3.411 3.072 3.618 . 0 0 "[ . 1 .]" 1
606 1 39 LYS HG2 1 43 TRP HE1 3.650 . 5.500 3.171 2.999 3.518 . 0 0 "[ . 1 .]" 1
607 1 39 LYS HG3 1 43 TRP HE1 3.650 . 5.500 4.181 3.744 4.793 . 0 0 "[ . 1 .]" 1
608 1 39 LYS HD2 1 43 TRP HE1 3.650 . 5.500 5.564 5.538 5.619 0.119 2 0 "[ . 1 .]" 1
609 1 39 LYS HD3 1 43 TRP HE1 3.650 . 5.500 5.545 5.519 5.567 0.067 7 0 "[ . 1 .]" 1
610 1 39 LYS HE2 1 43 TRP HE1 3.650 . 5.500 5.180 4.303 5.504 0.004 11 0 "[ . 1 .]" 1
611 1 39 LYS HE3 1 43 TRP HE1 3.650 . 5.500 4.278 3.459 4.966 . 0 0 "[ . 1 .]" 1
612 1 23 LYS HD3 1 98 TRP HE1 3.650 . 5.500 5.036 4.415 5.591 0.091 6 0 "[ . 1 .]" 1
613 1 23 LYS HD2 1 98 TRP HE1 3.650 . 5.500 5.227 4.488 5.599 0.099 2 0 "[ . 1 .]" 1
614 1 23 LYS HG3 1 98 TRP HE1 3.650 . 5.500 4.136 3.413 5.115 . 0 0 "[ . 1 .]" 1
615 1 23 LYS HG2 1 98 TRP HE1 3.650 . 5.500 2.940 2.079 3.904 . 0 0 "[ . 1 .]" 1
616 1 27 ASP HB3 1 98 TRP HE1 3.650 . 5.500 5.612 5.518 5.722 0.222 11 0 "[ . 1 .]" 1
617 1 27 ASP HB2 1 98 TRP HE1 3.650 . 5.500 4.552 3.972 5.202 . 0 0 "[ . 1 .]" 1
618 1 39 LYS HG2 1 43 TRP H 3.650 . 5.500 5.200 4.991 5.364 . 0 0 "[ . 1 .]" 1
619 1 39 LYS HG3 1 43 TRP H 3.650 . 5.500 4.045 3.763 4.408 . 0 0 "[ . 1 .]" 1
620 1 40 VAL HA 1 43 TRP HE1 3.650 . 5.500 5.437 5.096 5.602 0.102 13 0 "[ . 1 .]" 1
621 1 52 ILE QG 1 54 ARG H 4.090 . 6.380 5.640 4.922 5.837 . 0 0 "[ . 1 .]" 1
622 1 14 VAL H 1 94 ARG HB2 3.650 . 5.500 5.307 4.429 5.540 0.040 6 0 "[ . 1 .]" 1
623 1 14 VAL H 1 94 ARG HB3 3.650 . 5.500 4.335 3.386 5.411 . 0 0 "[ . 1 .]" 1
624 1 14 VAL H 1 94 ARG HD2 3.650 . 5.500 3.987 2.102 5.250 . 0 0 "[ . 1 .]" 1
625 1 14 VAL H 1 94 ARG HD3 3.650 . 5.500 3.870 2.166 5.501 0.001 15 0 "[ . 1 .]" 1
626 1 67 THR H 1 108 THR HB 3.650 . 5.500 5.323 5.094 5.520 0.020 10 0 "[ . 1 .]" 1
627 1 65 VAL HB 1 110 PHE H 3.650 . 5.500 3.780 2.752 5.747 0.247 15 0 "[ . 1 .]" 1
628 1 43 TRP H 1 43 TRP HE3 3.650 . 5.500 4.413 4.030 4.607 . 0 0 "[ . 1 .]" 1
629 1 97 ARG HD2 1 98 TRP H 3.650 . 5.500 4.752 3.761 5.292 . 0 0 "[ . 1 .]" 1
630 1 97 ARG HD3 1 98 TRP H 3.650 . 5.500 4.681 3.415 5.497 . 0 0 "[ . 1 .]" 1
631 1 94 ARG HB2 1 109 VAL H 3.650 . 5.500 3.707 2.999 4.486 . 0 0 "[ . 1 .]" 1
632 1 94 ARG HB3 1 109 VAL H 3.650 . 5.500 4.381 3.634 4.960 . 0 0 "[ . 1 .]" 1
633 1 94 ARG H 1 94 ARG HD2 3.650 . 5.500 4.809 3.693 5.531 0.031 13 0 "[ . 1 .]" 1
634 1 94 ARG H 1 94 ARG HD3 3.650 . 5.500 4.886 3.993 5.562 0.062 9 0 "[ . 1 .]" 1
635 1 73 LYS HE2 1 74 ASN H 3.650 . 5.500 4.642 3.510 5.523 0.023 3 0 "[ . 1 .]" 1
636 1 73 LYS HE3 1 74 ASN H 3.650 . 5.500 4.821 3.539 5.510 0.010 3 0 "[ . 1 .]" 1
637 1 34 GLN HE21 1 35 TYR H 3.650 . 5.500 4.220 1.998 5.113 . 0 0 "[ . 1 .]" 1
638 1 34 GLN HG2 1 35 TYR H 3.650 . 5.500 2.519 1.997 3.676 . 0 0 "[ . 1 .]" 1
639 1 34 GLN HG3 1 35 TYR H 3.650 . 5.500 2.609 1.964 3.651 . 0 0 "[ . 1 .]" 1
640 1 35 TYR QD 1 36 SER H 4.720 . 7.640 3.503 2.315 3.975 . 0 0 "[ . 1 .]" 1
641 1 108 THR H 1 110 PHE QD 4.710 . 7.620 5.849 5.446 6.445 . 0 0 "[ . 1 .]" 1
642 1 109 VAL H 1 110 PHE QD 4.710 . 7.620 3.801 3.442 4.844 . 0 0 "[ . 1 .]" 1
643 1 110 PHE QD 1 111 GLY H 4.710 . 7.620 4.561 4.211 4.773 . 0 0 "[ . 1 .]" 1
644 1 35 TYR H 1 35 TYR QE 4.715 . 7.630 6.209 6.094 6.245 . 0 0 "[ . 1 .]" 1
645 1 35 TYR QD 1 39 LYS H 4.720 . 7.640 6.480 5.588 7.036 . 0 0 "[ . 1 .]" 1
646 1 112 LEU HG 1 113 ALA H 3.650 . 5.500 4.389 4.140 4.564 . 0 0 "[ . 1 .]" 1
647 1 91 ASP H 1 112 LEU HG 3.650 . 5.500 3.784 2.521 4.191 . 0 0 "[ . 1 .]" 1
648 1 90 THR H 1 112 LEU HG 3.650 . 5.500 4.558 4.460 4.662 . 0 0 "[ . 1 .]" 1
649 1 64 TYR QD 1 65 VAL H 4.720 . 7.640 4.215 2.833 4.776 . 0 0 "[ . 1 .]" 1
650 1 64 TYR QD 1 112 LEU H 4.720 . 7.640 4.325 3.786 4.901 . 0 0 "[ . 1 .]" 1
651 1 78 LEU HG 1 79 HIS H 3.650 . 5.500 3.471 2.324 4.664 . 0 0 "[ . 1 .]" 1
652 1 51 CYS H 1 52 ILE QG 4.090 . 6.380 5.648 5.579 5.816 . 0 0 "[ . 1 .]" 1
653 1 43 TRP HE3 1 44 THR H 3.650 . 5.500 4.901 4.337 5.302 . 0 0 "[ . 1 .]" 1
654 1 96 VAL H 1 106 ILE QG 4.090 . 6.380 2.942 2.873 3.009 . 0 0 "[ . 1 .]" 1
655 1 96 VAL H 1 106 ILE HB 3.650 . 5.500 5.500 5.367 5.556 0.056 14 0 "[ . 1 .]" 1
656 1 94 ARG H 1 108 THR HB 3.650 . 5.500 5.262 4.967 5.528 0.028 10 0 "[ . 1 .]" 1
657 1 98 TRP H 1 106 ILE QG 4.090 . 6.380 4.887 4.388 5.182 . 0 0 "[ . 1 .]" 1
658 1 98 TRP H 1 106 ILE HB 3.650 . 5.500 4.519 4.254 4.671 . 0 0 "[ . 1 .]" 1
659 1 69 ILE H 1 106 ILE QG 4.090 . 6.380 3.679 3.339 4.022 . 0 0 "[ . 1 .]" 1
660 1 61 PRO HB2 1 114 ILE H 3.650 . 5.500 3.998 2.401 4.952 . 0 0 "[ . 1 .]" 1
661 1 61 PRO HB3 1 114 ILE H 3.650 . 5.500 5.098 3.524 5.674 0.174 15 0 "[ . 1 .]" 1
662 1 29 VAL MG1 1 30 LEU H 4.165 . 6.530 3.670 3.611 3.737 . 0 0 "[ . 1 .]" 1
663 1 29 VAL MG2 1 30 LEU H 3.745 . 5.690 4.452 4.410 4.500 . 0 0 "[ . 1 .]" 1
664 1 18 VAL MG2 1 19 SER H 4.165 . 6.530 3.732 3.676 3.791 . 0 0 "[ . 1 .]" 1
665 1 18 VAL MG1 1 19 SER H 4.165 . 6.530 3.800 3.759 3.842 . 0 0 "[ . 1 .]" 1
666 1 21 ILE H 1 21 ILE MD 3.495 . 5.190 3.500 3.359 3.615 . 0 0 "[ . 1 .]" 1
667 1 21 ILE MD 1 22 ILE H 3.575 . 5.350 4.373 4.137 4.466 . 0 0 "[ . 1 .]" 1
668 1 21 ILE MG 1 22 ILE H 4.010 . 6.220 3.134 3.003 3.376 . 0 0 "[ . 1 .]" 1
669 1 26 ILE H 1 26 ILE MD 3.590 . 5.380 2.120 1.914 2.459 . 0 0 "[ . 1 .]" 1
670 1 26 ILE MD 1 27 ASP H 3.635 . 5.470 4.115 3.961 4.423 . 0 0 "[ . 1 .]" 1
671 1 26 ILE MG 1 27 ASP H 4.165 . 6.530 3.064 2.688 3.291 . 0 0 "[ . 1 .]" 1
672 1 30 LEU H 1 30 LEU MD1 4.165 . 6.530 3.996 3.918 4.061 . 0 0 "[ . 1 .]" 1
673 1 30 LEU H 1 30 LEU MD2 4.165 . 6.530 2.551 2.370 2.728 . 0 0 "[ . 1 .]" 1
674 1 30 LEU MD2 1 31 GLN H 4.165 . 6.530 3.992 3.910 4.060 . 0 0 "[ . 1 .]" 1
675 1 30 LEU MD1 1 31 GLN H 4.165 . 6.530 4.746 4.664 4.836 . 0 0 "[ . 1 .]" 1
676 1 38 ALA MB 1 40 VAL H 4.165 . 6.530 4.437 4.376 4.657 . 0 0 "[ . 1 .]" 1
677 1 40 VAL MG1 1 41 SER H 3.885 . 5.970 3.378 3.101 4.091 . 0 0 "[ . 1 .]" 1
678 1 40 VAL MG2 1 41 SER H 4.165 . 6.530 3.988 2.030 4.340 . 0 0 "[ . 1 .]" 1
679 1 44 THR MG 1 45 SER H 4.150 . 6.500 2.477 2.119 2.736 . 0 0 "[ . 1 .]" 1
680 1 48 LEU H 1 48 LEU MD1 3.650 . 5.500 2.473 2.229 2.723 . 0 0 "[ . 1 .]" 1
681 1 48 LEU H 1 48 LEU MD2 4.165 . 6.530 3.383 3.224 3.539 . 0 0 "[ . 1 .]" 1
682 1 48 LEU MD1 1 49 GLU H 4.165 . 6.530 4.330 4.253 4.428 . 0 0 "[ . 1 .]" 1
683 1 48 LEU MD2 1 49 GLU H 3.870 . 5.940 4.704 4.605 4.779 . 0 0 "[ . 1 .]" 1
684 1 52 ILE H 1 52 ILE MD 3.870 . 5.940 4.131 3.987 4.295 . 0 0 "[ . 1 .]" 1
685 1 52 ILE MG 1 53 LYS H 4.165 . 6.530 1.891 1.842 1.944 . 0 0 "[ . 1 .]" 1
686 1 52 ILE MD 1 53 LYS H 4.165 . 6.530 3.156 2.685 3.400 . 0 0 "[ . 1 .]" 1
687 1 55 LEU H 1 55 LEU MD2 3.745 . 5.690 3.192 1.954 3.601 . 0 0 "[ . 1 .]" 1
688 1 55 LEU H 1 55 LEU MD1 4.165 . 6.530 3.557 3.148 3.909 . 0 0 "[ . 1 .]" 1
689 1 55 LEU MD2 1 56 THR H 4.025 . 6.250 4.585 4.072 4.852 . 0 0 "[ . 1 .]" 1
690 1 55 LEU MD1 1 56 THR H 4.165 . 6.530 4.621 4.073 4.840 . 0 0 "[ . 1 .]" 1
691 1 56 THR MG 1 57 ALA H 4.165 . 6.530 3.691 3.391 3.969 . 0 0 "[ . 1 .]" 1
692 1 58 LEU H 1 58 LEU MD1 4.165 . 6.530 3.348 2.399 4.060 . 0 0 "[ . 1 .]" 1
693 1 58 LEU H 1 58 LEU MD2 4.165 . 6.530 3.702 2.203 4.432 . 0 0 "[ . 1 .]" 1
694 1 58 LEU MD1 1 59 ASN H 4.165 . 6.530 4.585 4.220 4.852 . 0 0 "[ . 1 .]" 1
695 1 58 LEU MD2 1 59 ASN H 4.165 . 6.530 4.656 4.116 5.040 . 0 0 "[ . 1 .]" 1
696 1 65 VAL MG2 1 66 VAL H 4.165 . 6.530 3.416 2.612 4.265 . 0 0 "[ . 1 .]" 1
697 1 65 VAL MG1 1 66 VAL H 4.165 . 6.530 3.060 2.287 4.251 . 0 0 "[ . 1 .]" 1
698 1 65 VAL MG1 1 67 THR H 4.165 . 6.530 4.209 3.297 5.206 . 0 0 "[ . 1 .]" 1
699 1 65 VAL MG2 1 67 THR H 4.165 . 6.530 5.164 4.144 5.687 . 0 0 "[ . 1 .]" 1
700 1 67 THR MG 1 68 CYS H 4.165 . 6.530 3.870 3.689 4.054 . 0 0 "[ . 1 .]" 1
701 1 69 ILE H 1 69 ILE MD 4.150 . 6.500 2.848 2.074 3.842 . 0 0 "[ . 1 .]" 1
702 1 69 ILE MD 1 70 ILE H 4.165 . 6.530 5.051 4.792 5.346 . 0 0 "[ . 1 .]" 1
703 1 69 ILE MG 1 70 ILE H 4.165 . 6.530 2.652 2.203 2.925 . 0 0 "[ . 1 .]" 1
704 1 70 ILE H 1 70 ILE MD 4.165 . 6.530 3.478 1.954 3.831 . 0 0 "[ . 1 .]" 1
705 1 78 LEU H 1 78 LEU MD1 4.165 . 6.530 4.435 3.846 4.720 . 0 0 "[ . 1 .]" 1
706 1 78 LEU H 1 78 LEU MD2 4.165 . 6.530 4.172 3.820 4.500 . 0 0 "[ . 1 .]" 1
707 1 80 THR MG 1 81 ALA H 4.165 . 6.530 1.975 1.950 2.048 . 0 0 "[ . 1 .]" 1
708 1 89 THR MG 1 90 THR H 4.165 . 6.530 2.031 1.887 2.952 . 0 0 "[ . 1 .]" 1
709 1 95 THR MG 1 96 VAL H 3.885 . 5.970 3.466 3.197 3.743 . 0 0 "[ . 1 .]" 1
710 1 96 VAL MG1 1 97 ARG H 4.055 . 6.310 2.574 2.135 3.008 . 0 0 "[ . 1 .]" 1
711 1 96 VAL MG2 1 97 ARG H 4.055 . 6.310 4.110 3.767 4.252 . 0 0 "[ . 1 .]" 1
712 1 98 TRP H 1 106 ILE MD 4.165 . 6.530 5.361 5.183 5.463 . 0 0 "[ . 1 .]" 1
713 1 98 TRP H 1 106 ILE MG 4.165 . 6.530 5.193 4.990 5.426 . 0 0 "[ . 1 .]" 1
714 1 95 THR MG 1 97 ARG H 4.165 . 6.530 4.476 3.790 5.192 . 0 0 "[ . 1 .]" 1
715 1 106 ILE H 1 106 ILE MD 4.165 . 6.530 4.546 4.496 4.645 . 0 0 "[ . 1 .]" 1
716 1 106 ILE MG 1 107 CYS H 4.135 . 6.470 4.132 3.979 4.239 . 0 0 "[ . 1 .]" 1
717 1 106 ILE MD 1 107 CYS H 3.790 . 5.780 4.235 3.800 4.508 . 0 0 "[ . 1 .]" 1
718 1 108 THR MG 1 109 VAL H 4.165 . 6.530 3.545 3.291 3.742 . 0 0 "[ . 1 .]" 1
719 1 108 THR MG 1 110 PHE H 4.165 . 6.530 4.224 3.964 4.505 . 0 0 "[ . 1 .]" 1
720 1 109 VAL MG1 1 110 PHE H 4.165 . 6.530 2.821 2.400 2.985 . 0 0 "[ . 1 .]" 1
721 1 109 VAL MG2 1 110 PHE H 4.165 . 6.530 4.327 3.675 4.438 . 0 0 "[ . 1 .]" 1
722 1 112 LEU H 1 112 LEU MD1 4.085 . 6.370 2.238 1.994 2.406 . 0 0 "[ . 1 .]" 1
723 1 112 LEU H 1 112 LEU MD2 4.085 . 6.370 3.418 3.224 3.701 . 0 0 "[ . 1 .]" 1
724 1 112 LEU MD1 1 113 ALA H 4.165 . 6.530 4.087 3.946 4.191 . 0 0 "[ . 1 .]" 1
725 1 112 LEU MD2 1 113 ALA H 4.165 . 6.530 5.172 4.957 5.325 . 0 0 "[ . 1 .]" 1
726 1 8 VAL MG1 1 9 GLU H 4.165 . 6.530 3.686 3.531 4.099 . 0 0 "[ . 1 .]" 1
727 1 8 VAL MG2 1 9 GLU H 4.165 . 6.530 2.856 2.704 3.058 . 0 0 "[ . 1 .]" 1
728 1 18 VAL MG1 1 20 ASN H 4.165 . 6.530 5.145 5.055 5.297 . 0 0 "[ . 1 .]" 1
729 1 18 VAL MG2 1 20 ASN H 4.165 . 6.530 5.432 5.396 5.465 . 0 0 "[ . 1 .]" 1
730 1 30 LEU MD1 1 43 TRP H 4.165 . 6.530 4.343 4.062 4.651 . 0 0 "[ . 1 .]" 1
731 1 65 VAL MG2 1 112 LEU H 4.165 . 6.530 5.053 3.639 5.710 . 0 0 "[ . 1 .]" 1
732 1 109 VAL MG1 1 111 GLY H 4.165 . 6.530 4.314 3.218 4.685 . 0 0 "[ . 1 .]" 1
733 1 111 GLY H 1 112 LEU MD2 4.165 . 6.530 5.531 5.454 5.632 . 0 0 "[ . 1 .]" 1
734 1 65 VAL MG1 1 110 PHE H 4.165 . 6.530 2.924 1.878 4.736 . 0 0 "[ . 1 .]" 1
735 1 67 THR MG 1 108 THR H 4.165 . 6.530 3.380 3.057 3.686 . 0 0 "[ . 1 .]" 1
736 1 106 ILE MD 1 108 THR H 4.165 . 6.530 5.345 5.107 5.500 . 0 0 "[ . 1 .]" 1
737 1 11 ALA MB 1 95 THR H 4.165 . 6.530 4.421 3.891 4.899 . 0 0 "[ . 1 .]" 1
738 1 92 GLY H 1 112 LEU MD2 4.165 . 6.530 5.042 4.518 5.518 . 0 0 "[ . 1 .]" 1
739 1 90 THR MG 1 91 ASP H 4.165 . 6.530 4.245 3.540 4.407 . 0 0 "[ . 1 .]" 1
740 1 90 THR H 1 112 LEU MD1 4.165 . 6.530 5.456 5.267 5.559 . 0 0 "[ . 1 .]" 1
741 1 89 THR H 1 90 THR MG 4.165 . 6.530 4.277 3.646 4.998 . 0 0 "[ . 1 .]" 1
742 1 67 THR H 1 108 THR MG 4.165 . 6.530 2.931 2.619 3.160 . 0 0 "[ . 1 .]" 1
743 1 29 VAL MG2 1 46 SER H 4.070 . 6.340 3.833 3.620 3.979 . 0 0 "[ . 1 .]" 1
744 1 52 ILE MD 1 54 ARG H 4.165 . 6.530 4.722 4.463 5.401 . 0 0 "[ . 1 .]" 1
745 1 54 ARG H 1 55 LEU MD1 4.165 . 6.530 5.171 4.510 5.700 . 0 0 "[ . 1 .]" 1
746 1 54 ARG H 1 55 LEU MD2 4.165 . 6.530 5.025 3.461 5.480 . 0 0 "[ . 1 .]" 1
747 1 55 LEU H 1 56 THR MG 4.165 . 6.530 3.886 3.708 4.194 . 0 0 "[ . 1 .]" 1
748 1 52 ILE MD 1 55 LEU H 4.165 . 6.530 4.793 4.389 5.539 . 0 0 "[ . 1 .]" 1
749 1 52 ILE MD 1 56 THR H 4.165 . 6.530 3.903 3.519 4.987 . 0 0 "[ . 1 .]" 1
750 1 29 VAL MG1 1 49 GLU H 4.165 . 6.530 5.323 5.287 5.415 . 0 0 "[ . 1 .]" 1
751 1 29 VAL MG2 1 50 HIS H 4.165 . 6.530 3.762 3.626 3.996 . 0 0 "[ . 1 .]" 1
752 1 29 VAL MG2 1 47 CYS H 4.150 . 6.500 2.568 2.407 2.722 . 0 0 "[ . 1 .]" 1
753 1 29 VAL MG2 1 48 LEU H 4.165 . 6.530 4.306 4.240 4.408 . 0 0 "[ . 1 .]" 1
754 1 30 LEU MD2 1 43 TRP HE1 4.165 . 6.530 5.449 5.375 5.586 . 0 0 "[ . 1 .]" 1
755 1 30 LEU MD1 1 43 TRP HE1 4.165 . 6.530 3.854 3.468 4.282 . 0 0 "[ . 1 .]" 1
756 1 30 LEU MD2 1 43 TRP H 4.165 . 6.530 5.182 4.965 5.347 . 0 0 "[ . 1 .]" 1
757 1 39 LYS H 1 40 VAL MG1 4.165 . 6.530 5.131 3.346 5.453 . 0 0 "[ . 1 .]" 1
758 1 39 LYS H 1 40 VAL MG2 3.840 . 5.880 3.981 3.491 4.295 . 0 0 "[ . 1 .]" 1
759 1 29 VAL H 1 30 LEU MD2 4.165 . 6.530 3.433 3.258 3.602 . 0 0 "[ . 1 .]" 1
760 1 23 LYS H 1 96 VAL MG1 4.165 . 6.530 4.514 3.947 5.103 . 0 0 "[ . 1 .]" 1
761 1 11 ALA H 1 96 VAL MG1 4.165 . 6.530 2.668 2.239 3.226 . 0 0 "[ . 1 .]" 1
762 1 4 VAL MG2 1 5 ASP H 4.165 . 6.530 4.126 3.897 4.240 . 0 0 "[ . 1 .]" 1
763 1 29 VAL H 1 30 LEU MD1 4.165 . 6.530 5.575 5.484 5.614 . 0 0 "[ . 1 .]" 1
764 1 4 VAL MG1 1 5 ASP H 4.165 . 6.530 2.594 1.956 3.075 . 0 0 "[ . 1 .]" 1
765 1 29 VAL MG2 1 49 GLU H 4.165 . 6.530 4.621 4.547 4.759 . 0 0 "[ . 1 .]" 1
766 1 66 VAL MG2 1 67 THR H 4.150 . 6.500 4.352 4.229 4.455 . 0 0 "[ . 1 .]" 1
767 1 66 VAL MG1 1 67 THR H 4.150 . 6.500 2.865 2.482 3.120 . 0 0 "[ . 1 .]" 1
768 1 114 ILE H 1 114 ILE MD 4.115 . 6.430 3.627 2.645 4.311 . 0 0 "[ . 1 .]" 1
769 1 69 ILE H 1 106 ILE MG 4.165 . 6.530 2.085 1.940 2.285 . 0 0 "[ . 1 .]" 1
770 1 69 ILE MG 1 106 ILE H 4.165 . 6.530 4.325 4.069 4.725 . 0 0 "[ . 1 .]" 1
771 1 11 ALA H 1 96 VAL MG2 4.165 . 6.530 4.103 3.483 4.979 . 0 0 "[ . 1 .]" 1
772 1 7 ALA MB 1 10 GLU H 4.165 . 6.530 4.156 3.366 4.688 . 0 0 "[ . 1 .]" 1
773 1 91 ASP H 1 112 LEU MD1 4.165 . 6.530 3.756 3.454 4.566 . 0 0 "[ . 1 .]" 1
774 1 92 GLY H 1 112 LEU MD1 4.165 . 6.530 2.809 2.096 3.248 . 0 0 "[ . 1 .]" 1
775 1 111 GLY H 1 112 LEU MD1 4.165 . 6.530 3.252 3.116 3.418 . 0 0 "[ . 1 .]" 1
776 1 5 ASP H 1 8 VAL MG2 4.165 . 6.530 4.079 3.820 4.434 . 0 0 "[ . 1 .]" 1
777 1 5 ASP H 1 8 VAL MG1 4.165 . 6.530 5.269 5.038 5.553 . 0 0 "[ . 1 .]" 1
778 1 47 CYS H 1 48 LEU MD2 4.165 . 6.530 4.984 4.784 5.191 . 0 0 "[ . 1 .]" 1
779 1 47 CYS H 1 48 LEU MD1 4.165 . 6.530 4.254 4.054 4.520 . 0 0 "[ . 1 .]" 1
780 1 63 LYS H 1 114 ILE MD 4.165 . 6.530 4.458 2.912 5.320 . 0 0 "[ . 1 .]" 1
781 1 63 LYS H 1 114 ILE MG 4.165 . 6.530 4.574 3.808 5.217 . 0 0 "[ . 1 .]" 1
782 1 65 VAL MG2 1 110 PHE H 4.165 . 6.530 3.999 3.531 4.348 . 0 0 "[ . 1 .]" 1
783 1 29 VAL MG2 1 45 SER H 4.165 . 6.530 5.391 5.321 5.480 . 0 0 "[ . 1 .]" 1
784 1 23 LYS H 1 96 VAL MG2 4.165 . 6.530 4.551 3.944 5.247 . 0 0 "[ . 1 .]" 1
785 1 89 THR MG 1 91 ASP H 4.165 . 6.530 4.604 3.918 4.940 . 0 0 "[ . 1 .]" 1
786 1 7 ALA MB 1 9 GLU H 4.165 . 6.530 4.190 3.603 5.149 . 0 0 "[ . 1 .]" 1
787 1 66 VAL H 1 67 THR MG 4.165 . 6.530 4.677 4.448 5.244 . 0 0 "[ . 1 .]" 1
788 1 91 ASP H 1 112 LEU MD2 4.165 . 6.530 5.124 3.616 5.527 . 0 0 "[ . 1 .]" 1
789 1 109 VAL MG2 1 111 GLY H 4.165 . 6.530 5.582 5.531 5.716 . 0 0 "[ . 1 .]" 1
790 1 90 THR H 1 112 LEU MD2 4.165 . 6.530 5.431 5.262 5.608 . 0 0 "[ . 1 .]" 1
791 1 78 LEU MD1 1 79 HIS H 4.165 . 6.530 3.494 1.881 5.060 . 0 0 "[ . 1 .]" 1
792 1 78 LEU MD2 1 79 HIS H 4.165 . 6.530 3.251 2.008 4.909 . 0 0 "[ . 1 .]" 1
793 1 93 SER H 1 112 LEU MD2 4.165 . 6.530 5.398 5.296 5.464 . 0 0 "[ . 1 .]" 1
794 1 93 SER H 1 112 LEU MD1 4.165 . 6.530 3.256 3.039 3.424 . 0 0 "[ . 1 .]" 1
795 1 51 CYS H 1 52 ILE MD 4.165 . 6.530 5.460 5.285 5.545 . 0 0 "[ . 1 .]" 1
796 1 106 ILE MG 1 108 THR H 4.165 . 6.530 5.035 4.763 5.164 . 0 0 "[ . 1 .]" 1
797 1 96 VAL H 1 106 ILE MG 4.165 . 6.530 5.479 5.430 5.508 . 0 0 "[ . 1 .]" 1
798 1 96 VAL H 1 106 ILE MD 4.165 . 6.530 3.866 3.623 4.034 . 0 0 "[ . 1 .]" 1
799 1 94 ARG H 1 108 THR MG 4.165 . 6.530 4.237 3.709 4.610 . 0 0 "[ . 1 .]" 1
800 1 95 THR MG 1 107 CYS H 4.165 . 6.530 5.386 5.323 5.449 . 0 0 "[ . 1 .]" 1
801 1 69 ILE H 1 106 ILE MD 4.165 . 6.530 5.037 4.777 5.258 . 0 0 "[ . 1 .]" 1
802 1 69 ILE MD 1 106 ILE H 4.165 . 6.530 5.085 4.675 5.343 . 0 0 "[ . 1 .]" 1
803 1 59 ASN HA 1 59 ASN HB3 2.160 . 2.520 2.427 2.348 2.472 . 0 0 "[ . 1 .]" 1
804 1 59 ASN HA 1 59 ASN HB2 2.160 . 2.520 2.467 2.423 2.570 0.050 5 0 "[ . 1 .]" 1
805 1 10 GLU HA 1 10 GLU HB2 2.425 . 3.050 2.604 2.479 2.720 . 0 0 "[ . 1 .]" 1
806 1 89 THR HA 1 89 THR HB 2.270 . 2.740 2.425 2.325 2.471 . 0 0 "[ . 1 .]" 1
807 1 56 THR HA 1 56 THR HB 2.130 . 2.460 2.370 2.306 2.444 . 0 0 "[ . 1 .]" 1
808 1 67 THR HA 1 67 THR HB 2.315 . 2.830 2.378 2.357 2.391 . 0 0 "[ . 1 .]" 1
809 1 20 ASN HA 1 20 ASN HB3 2.285 . 2.770 2.499 2.314 2.699 . 0 0 "[ . 1 .]" 1
810 1 20 ASN HA 1 20 ASN HB2 2.285 . 2.770 2.414 2.269 2.602 . 0 0 "[ . 1 .]" 1
811 1 87 ASP HA 1 87 ASP HB3 2.380 . 2.960 2.960 2.953 2.989 0.029 11 0 "[ . 1 .]" 1
812 1 100 ASN HA 1 100 ASN HB3 2.285 . 2.770 2.315 2.274 2.359 . 0 0 "[ . 1 .]" 1
813 1 100 ASN HA 1 100 ASN HB2 2.285 . 2.770 2.618 2.557 2.673 . 0 0 "[ . 1 .]" 1
814 1 84 CYS HA 1 84 CYS HB2 2.315 . 2.830 2.834 2.509 2.994 0.164 1 0 "[ . 1 .]" 1
815 1 84 CYS HA 1 84 CYS HB3 2.315 . 2.830 2.512 2.351 2.954 0.124 9 0 "[ . 1 .]" 1
816 1 34 GLN HA 1 34 GLN HB2 2.300 . 2.800 2.688 2.598 2.719 . 0 0 "[ . 1 .]" 1
817 1 68 CYS HA 1 107 CYS HA 2.750 . 3.700 2.099 1.955 2.330 . 0 0 "[ . 1 .]" 1
818 1 47 CYS HA 1 50 HIS HB2 2.830 . 3.860 2.254 2.033 2.419 . 0 0 "[ . 1 .]" 1
819 1 50 HIS HA 1 53 LYS HB3 2.970 . 4.140 4.145 4.055 4.246 0.106 5 0 "[ . 1 .]" 1
820 1 50 HIS HA 1 53 LYS HB2 2.970 . 4.140 2.710 2.565 2.792 . 0 0 "[ . 1 .]" 1
821 1 46 SER HA 1 49 GLU HB3 2.690 . 3.580 3.043 2.953 3.188 . 0 0 "[ . 1 .]" 1
822 1 46 SER HA 1 49 GLU HB2 2.625 . 3.450 3.377 3.185 3.479 0.029 10 0 "[ . 1 .]" 1
823 1 43 TRP HA 1 46 SER HB2 2.985 . 4.170 2.713 2.404 3.373 . 0 0 "[ . 1 .]" 1
824 1 18 VAL HA 1 21 ILE HB 2.285 . 2.770 2.783 2.656 2.815 0.045 15 0 "[ . 1 .]" 1
825 1 95 THR HA 1 108 THR HA 2.595 . 3.390 1.800 1.768 1.854 0.032 3 0 "[ . 1 .]" 1
826 1 97 ARG HA 1 106 ILE HA 2.660 . 3.520 2.182 1.971 2.427 . 0 0 "[ . 1 .]" 1
827 1 99 GLU HA 1 104 TYR HA 3.090 . 4.380 2.733 2.579 2.885 . 0 0 "[ . 1 .]" 1
828 1 20 ASN HA 1 23 LYS HB3 3.075 . 4.350 4.335 3.650 4.433 0.083 11 0 "[ . 1 .]" 1
829 1 20 ASN HA 1 23 LYS HB2 3.075 . 4.350 2.839 2.739 3.028 . 0 0 "[ . 1 .]" 1
830 1 21 ILE HA 1 24 GLU HB2 2.955 . 4.110 2.816 2.594 3.082 . 0 0 "[ . 1 .]" 1
831 1 21 ILE HA 1 24 GLU HB3 2.875 . 3.950 4.051 4.009 4.072 0.122 4 0 "[ . 1 .]" 1
832 1 22 ILE HA 1 25 SER HB3 3.125 . 4.450 3.555 2.630 4.205 . 0 0 "[ . 1 .]" 1
833 1 22 ILE HA 1 25 SER HB2 3.125 . 4.450 2.736 2.278 3.167 . 0 0 "[ . 1 .]" 1
834 1 23 LYS HA 1 26 ILE HB 3.045 . 4.290 2.777 2.330 3.134 . 0 0 "[ . 1 .]" 1
835 1 24 GLU HA 1 27 ASP HB3 2.565 . 3.330 2.868 2.477 3.354 0.024 14 0 "[ . 1 .]" 1
836 1 24 GLU HA 1 27 ASP HB2 2.520 . 3.240 3.324 3.280 3.381 0.141 7 0 "[ . 1 .]" 1
837 1 26 ILE HA 1 29 VAL HB 2.815 . 3.830 2.553 2.253 2.821 . 0 0 "[ . 1 .]" 1
838 1 39 LYS HA 1 42 GLN HB2 2.720 . 3.640 1.974 1.909 2.026 . 0 0 "[ . 1 .]" 1
839 1 39 LYS HA 1 42 GLN HB3 2.720 . 3.640 3.580 3.024 3.683 0.043 1 0 "[ . 1 .]" 1
840 1 37 GLU HA 1 40 VAL HB 2.845 . 3.890 2.350 1.977 4.099 0.209 7 0 "[ . 1 .]" 1
841 1 41 SER HA 1 44 THR HB 2.920 . 4.040 3.962 3.514 4.195 0.155 7 0 "[ . 1 .]" 1
842 1 42 GLN HA 1 45 SER HB3 2.815 . 3.830 3.070 2.412 3.875 0.045 3 0 "[ . 1 .]" 1
843 1 42 GLN HA 1 45 SER HB2 2.815 . 3.830 3.234 2.035 3.916 0.086 4 0 "[ . 1 .]" 1
844 1 43 TRP HA 1 46 SER HB3 2.985 . 4.170 4.164 3.945 4.323 0.153 10 0 "[ . 1 .]" 1
845 1 44 THR HA 1 47 CYS HB2 2.815 . 3.830 2.686 1.967 3.012 . 0 0 "[ . 1 .]" 1
846 1 44 THR HA 1 47 CYS HB3 2.815 . 3.830 2.375 1.894 3.508 . 0 0 "[ . 1 .]" 1
847 1 45 SER HA 1 48 LEU HB2 2.955 . 4.110 2.426 2.245 2.515 . 0 0 "[ . 1 .]" 1
848 1 45 SER HA 1 48 LEU HB3 2.890 . 3.980 3.950 3.777 4.039 0.059 14 0 "[ . 1 .]" 1
849 1 47 CYS HA 1 50 HIS HB3 2.830 . 3.860 3.829 3.643 3.913 0.053 10 0 "[ . 1 .]" 1
850 1 48 LEU HA 1 51 CYS HB2 2.580 . 3.360 2.928 2.029 3.056 . 0 0 "[ . 1 .]" 1
851 1 48 LEU HA 1 51 CYS HB3 2.580 . 3.360 2.632 2.333 3.374 0.014 2 0 "[ . 1 .]" 1
852 1 49 GLU HA 1 52 ILE HB 3.075 . 4.350 3.803 3.584 4.168 . 0 0 "[ . 1 .]" 1
853 1 51 CYS HA 1 54 ARG HB3 3.060 . 4.320 3.501 2.911 4.237 . 0 0 "[ . 1 .]" 1
854 1 51 CYS HA 1 54 ARG HB2 3.060 . 4.320 3.128 2.367 3.778 . 0 0 "[ . 1 .]" 1
855 1 93 SER HA 1 110 PHE HA 2.660 . 3.520 2.261 1.936 2.584 . 0 0 "[ . 1 .]" 1
856 1 4 VAL HA 1 101 LYS HA 3.125 . 4.450 3.007 1.989 4.367 . 0 0 "[ . 1 .]" 1
857 1 91 ASP HA 1 112 LEU HA 3.125 . 4.450 4.395 3.971 4.583 0.133 4 0 "[ . 1 .]" 1
858 1 11 ALA HA 1 96 VAL HA 3.620 . 5.440 4.385 4.056 4.999 . 0 0 "[ . 1 .]" 1
859 1 6 PRO HA 1 100 ASN HA 2.815 . 3.830 2.791 2.222 3.474 . 0 0 "[ . 1 .]" 1
860 1 60 LYS HA 1 61 PRO HB2 3.090 . 4.380 4.479 4.430 4.522 0.142 11 0 "[ . 1 .]" 1
861 1 60 LYS HA 1 61 PRO HB3 3.090 . 4.380 4.153 3.941 4.441 0.061 5 0 "[ . 1 .]" 1
862 1 10 GLU HA 1 10 GLU HG2 2.985 . 4.170 2.698 2.194 3.638 . 0 0 "[ . 1 .]" 1
863 1 103 MET HA 1 103 MET HG2 2.780 . 3.760 3.180 2.336 3.802 0.042 14 0 "[ . 1 .]" 1
864 1 103 MET HA 1 103 MET HG3 2.780 . 3.760 2.711 2.233 3.729 . 0 0 "[ . 1 .]" 1
865 1 99 GLU HB2 1 99 GLU HG3 2.350 . 2.900 2.632 2.289 2.971 0.071 9 0 "[ . 1 .]" 1
866 1 58 LEU HB3 1 58 LEU HG 2.380 . 2.960 2.640 2.386 2.988 0.028 13 0 "[ . 1 .]" 1
867 1 58 LEU HA 1 58 LEU HG 2.795 . 3.790 2.738 2.183 3.664 . 0 0 "[ . 1 .]" 1
868 1 10 GLU HA 1 10 GLU HG3 2.985 . 4.170 2.998 2.088 3.621 . 0 0 "[ . 1 .]" 1
869 1 49 GLU HA 1 49 GLU HG3 2.845 . 3.890 2.604 2.549 2.654 . 0 0 "[ . 1 .]" 1
870 1 49 GLU HA 1 49 GLU HG2 2.845 . 3.890 2.581 2.482 2.734 . 0 0 "[ . 1 .]" 1
871 1 24 GLU HA 1 24 GLU HG3 2.750 . 3.700 3.052 2.089 3.695 . 0 0 "[ . 1 .]" 1
872 1 24 GLU HA 1 24 GLU HG2 2.750 . 3.700 2.716 2.094 3.652 . 0 0 "[ . 1 .]" 1
873 1 37 GLU HA 1 37 GLU HG3 2.830 . 3.860 2.463 2.417 2.603 . 0 0 "[ . 1 .]" 1
874 1 37 GLU HA 1 37 GLU HG2 2.830 . 3.860 3.675 3.643 3.768 . 0 0 "[ . 1 .]" 1
875 1 9 GLU HA 1 9 GLU HG3 2.860 . 3.920 3.619 3.409 3.938 0.018 15 0 "[ . 1 .]" 1
876 1 9 GLU HA 1 9 GLU HG2 2.660 . 3.520 2.640 2.124 3.443 . 0 0 "[ . 1 .]" 1
877 1 2 GLU HA 1 2 GLU HG2 2.535 . 3.270 2.687 2.202 3.270 . 0 0 "[ . 1 .]" 1
878 1 2 GLU HA 1 2 GLU HG3 2.535 . 3.270 2.742 2.237 3.271 0.001 8 0 "[ . 1 .]" 1
879 1 34 GLN HB2 1 34 GLN HG3 2.425 . 3.050 2.649 2.207 3.008 . 0 0 "[ . 1 .]" 1
880 1 34 GLN HB2 1 34 GLN HG2 2.425 . 3.050 2.787 2.380 2.988 . 0 0 "[ . 1 .]" 1
881 1 31 GLN HA 1 31 GLN HG2 2.365 . 2.930 2.982 2.967 3.001 0.071 3 0 "[ . 1 .]" 1
882 1 31 GLN HB3 1 31 GLN HG2 2.300 . 2.800 2.362 2.341 2.387 . 0 0 "[ . 1 .]" 1
883 1 31 GLN HB3 1 31 GLN HG3 2.300 . 2.800 2.970 2.966 2.974 0.174 12 0 "[ . 1 .]" 1
884 1 31 GLN HA 1 31 GLN HG3 2.365 . 2.930 2.351 2.288 2.404 . 0 0 "[ . 1 .]" 1
885 1 53 LYS HA 1 53 LYS HD3 3.280 . 4.760 3.641 2.795 3.942 . 0 0 "[ . 1 .]" 1
886 1 53 LYS HA 1 53 LYS HD2 3.280 . 4.760 3.099 2.439 4.219 . 0 0 "[ . 1 .]" 1
887 1 53 LYS HA 1 53 LYS HG3 2.935 . 4.070 2.916 2.560 3.827 . 0 0 "[ . 1 .]" 1
888 1 53 LYS HA 1 53 LYS HG2 2.935 . 4.070 3.428 2.733 3.694 . 0 0 "[ . 1 .]" 1
889 1 53 LYS HB2 1 53 LYS QE 3.650 . 5.500 3.872 3.677 4.339 . 0 0 "[ . 1 .]" 1
890 1 53 LYS HB3 1 53 LYS QE 3.650 . 5.500 3.743 3.328 4.400 . 0 0 "[ . 1 .]" 1
891 1 53 LYS HA 1 53 LYS QE 2.985 . 3.930 2.194 1.928 3.366 . 0 0 "[ . 1 .]" 1
892 1 101 LYS HA 1 101 LYS HE2 3.650 . 5.500 5.264 4.524 5.526 0.026 7 0 "[ . 1 .]" 1
893 1 101 LYS HA 1 101 LYS HD3 3.650 . 5.500 4.289 2.558 5.027 . 0 0 "[ . 1 .]" 1
894 1 101 LYS HE2 1 101 LYS HG3 2.935 . 4.070 3.021 2.193 4.185 0.115 1 0 "[ . 1 .]" 1
895 1 101 LYS HD3 1 102 SER HB2 3.650 . 5.500 3.011 2.072 4.977 . 0 0 "[ . 1 .]" 1
896 1 101 LYS HD2 1 102 SER HB2 3.650 . 5.500 2.883 1.997 4.917 . 0 0 "[ . 1 .]" 1
897 1 101 LYS HB3 1 101 LYS HE3 3.465 . 5.130 3.094 1.997 4.942 . 0 0 "[ . 1 .]" 1
898 1 101 LYS HB2 1 101 LYS HE3 3.465 . 5.130 3.495 1.979 5.068 . 0 0 "[ . 1 .]" 1
899 1 101 LYS HE3 1 101 LYS HG3 2.935 . 4.070 3.239 2.793 3.624 . 0 0 "[ . 1 .]" 1
900 1 101 LYS HE3 1 101 LYS HG2 2.935 . 4.070 3.154 1.999 4.091 0.021 8 0 "[ . 1 .]" 1
901 1 101 LYS HE3 1 102 SER HB2 3.650 . 5.500 4.437 2.496 5.565 0.065 1 0 "[ . 1 .]" 1
902 1 101 LYS HE2 1 102 SER HB2 3.650 . 5.500 4.545 3.536 5.517 0.017 7 0 "[ . 1 .]" 1
903 1 101 LYS HB3 1 101 LYS HE2 3.465 . 5.130 3.650 2.180 4.599 . 0 0 "[ . 1 .]" 1
904 1 101 LYS HB2 1 101 LYS HE2 3.465 . 5.130 3.402 2.799 4.558 . 0 0 "[ . 1 .]" 1
905 1 101 LYS HE2 1 101 LYS HG2 2.935 . 4.070 3.329 2.499 3.702 . 0 0 "[ . 1 .]" 1
906 1 23 LYS HA 1 23 LYS HE3 3.650 . 5.500 4.831 4.416 5.547 0.047 14 0 "[ . 1 .]" 1
907 1 23 LYS HA 1 23 LYS HE2 3.650 . 5.500 5.076 4.614 5.389 . 0 0 "[ . 1 .]" 1
908 1 23 LYS HB3 1 23 LYS HE3 3.090 . 4.380 3.794 2.695 4.537 0.157 9 0 "[ . 1 .]" 1
909 1 23 LYS HE2 1 23 LYS HG3 2.935 . 4.070 3.099 2.022 3.959 . 0 0 "[ . 1 .]" 1
910 1 23 LYS HA 1 23 LYS HD3 3.650 . 5.500 4.524 4.325 4.842 . 0 0 "[ . 1 .]" 1
911 1 23 LYS HB2 1 23 LYS HE3 3.090 . 4.380 3.558 1.943 4.452 0.072 1 0 "[ . 1 .]" 1
912 1 23 LYS HE3 1 23 LYS HG3 2.935 . 4.070 2.975 2.421 3.349 . 0 0 "[ . 1 .]" 1
913 1 23 LYS HE3 1 23 LYS HG2 2.935 . 4.070 2.978 2.017 3.945 . 0 0 "[ . 1 .]" 1
914 1 23 LYS HB3 1 23 LYS HE2 3.090 . 4.380 3.946 3.623 4.506 0.126 9 0 "[ . 1 .]" 1
915 1 23 LYS HB2 1 23 LYS HE2 3.090 . 4.380 3.836 2.515 4.423 0.043 10 0 "[ . 1 .]" 1
916 1 23 LYS HE2 1 23 LYS HG2 2.935 . 4.070 3.127 2.730 3.782 . 0 0 "[ . 1 .]" 1
917 1 23 LYS HA 1 23 LYS HD2 3.650 . 5.500 4.529 4.391 4.669 . 0 0 "[ . 1 .]" 1
918 1 39 LYS HA 1 39 LYS HE3 3.385 . 4.970 4.642 4.464 4.903 . 0 0 "[ . 1 .]" 1
919 1 39 LYS HA 1 39 LYS HD3 3.015 . 4.230 2.535 2.191 3.050 . 0 0 "[ . 1 .]" 1
920 1 39 LYS HA 1 39 LYS HD2 3.015 . 4.230 3.601 3.279 4.038 . 0 0 "[ . 1 .]" 1
921 1 39 LYS HA 1 39 LYS HG3 2.920 . 4.040 2.339 2.134 2.462 . 0 0 "[ . 1 .]" 1
922 1 39 LYS HA 1 39 LYS HG2 2.920 . 4.040 3.548 3.448 3.593 . 0 0 "[ . 1 .]" 1
923 1 39 LYS HA 1 39 LYS HE2 3.385 . 4.970 4.323 3.981 4.822 . 0 0 "[ . 1 .]" 1
924 1 39 LYS HB3 1 39 LYS HE3 3.620 . 5.440 3.800 3.133 4.358 . 0 0 "[ . 1 .]" 1
925 1 39 LYS HB2 1 39 LYS HE3 3.620 . 5.440 2.762 1.991 3.419 . 0 0 "[ . 1 .]" 1
926 1 39 LYS HB3 1 39 LYS HE2 3.620 . 5.440 4.089 3.581 4.446 . 0 0 "[ . 1 .]" 1
927 1 39 LYS HB2 1 39 LYS HE2 3.620 . 5.440 2.552 2.029 2.918 . 0 0 "[ . 1 .]" 1
928 1 54 ARG HA 1 54 ARG HD2 3.015 . 4.230 3.444 2.959 3.934 . 0 0 "[ . 1 .]" 1
929 1 54 ARG HA 1 54 ARG HG3 2.830 . 3.860 3.158 2.413 3.593 . 0 0 "[ . 1 .]" 1
930 1 54 ARG HA 1 54 ARG HG2 2.830 . 3.860 2.936 2.111 3.768 . 0 0 "[ . 1 .]" 1
931 1 54 ARG HA 1 54 ARG HD3 3.015 . 4.230 2.816 2.195 3.942 . 0 0 "[ . 1 .]" 1
932 1 106 ILE QG 1 107 CYS HA 3.625 . 5.450 3.724 3.531 3.898 . 0 0 "[ . 1 .]" 1
933 1 69 ILE HB 1 106 ILE QG 4.090 . 6.380 3.680 3.599 3.793 . 0 0 "[ . 1 .]" 1
934 1 101 LYS HD3 1 102 SER HA 3.525 . 5.250 4.405 3.384 5.340 0.090 7 0 "[ . 1 .]" 1
935 1 101 LYS HD2 1 102 SER HA 3.525 . 5.250 4.107 2.695 5.269 0.019 10 0 "[ . 1 .]" 1
936 1 101 LYS HE3 1 102 SER HB3 3.650 . 5.500 4.226 2.868 5.451 . 0 0 "[ . 1 .]" 1
937 1 101 LYS HE2 1 102 SER HB3 3.650 . 5.500 4.693 2.959 5.533 0.033 10 0 "[ . 1 .]" 1
938 1 21 ILE HA 1 54 ARG HD3 3.650 . 5.500 5.488 5.253 5.557 0.057 8 0 "[ . 1 .]" 1
939 1 21 ILE HA 1 54 ARG HD2 3.650 . 5.500 4.922 3.945 5.571 0.071 15 0 "[ . 1 .]" 1
940 1 52 ILE QG 1 53 LYS HA 4.090 . 6.380 4.637 3.567 4.974 . 0 0 "[ . 1 .]" 1
941 1 49 GLU HG3 1 53 LYS HD3 3.650 . 5.500 3.628 2.885 5.630 0.130 6 0 "[ . 1 .]" 1
942 1 49 GLU HG2 1 53 LYS HD3 3.650 . 5.500 2.659 1.939 4.565 . 0 0 "[ . 1 .]" 1
943 1 50 HIS HA 1 53 LYS HD2 3.650 . 5.500 4.788 4.404 5.622 0.122 6 0 "[ . 1 .]" 1
944 1 49 GLU HG2 1 53 LYS QE 3.650 . 5.500 3.918 3.713 4.505 . 0 0 "[ . 1 .]" 1
945 1 49 GLU HG2 1 53 LYS HG3 3.650 . 5.500 3.798 2.131 4.389 . 0 0 "[ . 1 .]" 1
946 1 49 GLU HG2 1 53 LYS HG2 3.650 . 5.500 3.033 2.492 3.227 . 0 0 "[ . 1 .]" 1
947 1 49 GLU HG3 1 53 LYS HG3 3.650 . 5.500 5.144 3.694 5.653 0.153 2 0 "[ . 1 .]" 1
948 1 49 GLU HG3 1 53 LYS QE 3.650 . 5.500 4.282 3.933 4.904 . 0 0 "[ . 1 .]" 1
949 1 36 SER HB2 1 39 LYS HE2 3.650 . 5.500 2.588 2.042 3.071 . 0 0 "[ . 1 .]" 1
950 1 26 ILE QG 1 30 LEU HG 4.090 . 6.380 3.899 3.514 4.185 . 0 0 "[ . 1 .]" 1
951 1 23 LYS HA 1 26 ILE QG 3.870 . 5.940 4.215 3.969 4.526 . 0 0 "[ . 1 .]" 1
952 1 26 ILE QG 1 107 CYS HB3 3.590 . 5.380 4.091 3.253 4.705 . 0 0 "[ . 1 .]" 1
953 1 26 ILE QG 1 107 CYS HB2 3.590 . 5.380 4.299 3.673 4.842 . 0 0 "[ . 1 .]" 1
954 1 49 GLU HG3 1 52 ILE QG 4.090 . 6.380 5.622 5.562 5.860 . 0 0 "[ . 1 .]" 1
955 1 36 SER HB2 1 39 LYS HD2 4.525 . 7.250 4.937 4.530 5.287 . 0 0 "[ . 1 .]" 1
956 1 95 THR HB 1 108 THR HA 3.370 . 4.940 3.956 3.783 4.234 . 0 0 "[ . 1 .]" 1
957 1 95 THR HB 1 108 THR HB 3.110 . 4.420 2.692 2.410 3.006 . 0 0 "[ . 1 .]" 1
958 1 95 THR HA 1 108 THR HB 3.555 . 5.310 2.485 2.356 2.721 . 0 0 "[ . 1 .]" 1
959 1 26 ILE QG 1 29 VAL HB 3.885 . 5.970 4.086 3.693 4.390 . 0 0 "[ . 1 .]" 1
960 1 39 LYS HA 1 42 GLN HG2 3.295 . 4.790 3.614 2.669 4.479 . 0 0 "[ . 1 .]" 1
961 1 39 LYS HA 1 42 GLN HG3 3.295 . 4.790 4.247 2.844 4.864 0.074 12 0 "[ . 1 .]" 1
962 1 46 SER HA 1 49 GLU HG3 3.650 . 5.500 5.532 5.421 5.615 0.115 10 0 "[ . 1 .]" 1
963 1 46 SER HA 1 49 GLU HG2 3.650 . 5.500 5.584 5.493 5.681 0.181 11 0 "[ . 1 .]" 1
964 1 49 GLU HA 1 52 ILE QG 4.090 . 6.380 4.586 4.464 4.948 . 0 0 "[ . 1 .]" 1
965 1 50 HIS HA 1 53 LYS HG2 3.650 . 5.500 4.191 3.824 4.344 . 0 0 "[ . 1 .]" 1
966 1 50 HIS HA 1 53 LYS HG3 3.650 . 5.500 4.954 3.324 5.576 0.076 9 0 "[ . 1 .]" 1
967 1 50 HIS HA 1 53 LYS HD3 3.650 . 5.500 5.284 5.097 5.624 0.124 5 0 "[ . 1 .]" 1
968 1 52 ILE QG 1 53 LYS HD3 4.090 . 6.380 5.451 4.894 5.898 . 0 0 "[ . 1 .]" 1
969 1 52 ILE QG 1 53 LYS HD2 4.090 . 6.380 4.732 3.945 5.856 . 0 0 "[ . 1 .]" 1
970 1 36 SER HB2 1 39 LYS HD3 4.525 . 7.250 4.217 3.757 4.622 . 0 0 "[ . 1 .]" 1
971 1 36 SER HB2 1 39 LYS HG3 3.650 . 5.500 4.900 4.546 5.417 . 0 0 "[ . 1 .]" 1
972 1 36 SER HB2 1 39 LYS HG2 3.650 . 5.500 3.772 3.223 4.577 . 0 0 "[ . 1 .]" 1
973 1 36 SER HB2 1 39 LYS HB3 3.650 . 5.500 3.630 3.171 4.165 . 0 0 "[ . 1 .]" 1
974 1 36 SER HB3 1 39 LYS HD2 4.525 . 7.250 4.871 4.435 5.304 . 0 0 "[ . 1 .]" 1
975 1 36 SER HB3 1 39 LYS HG3 3.650 . 5.500 5.252 4.958 5.510 0.010 3 0 "[ . 1 .]" 1
976 1 36 SER HB3 1 39 LYS HG2 3.650 . 5.500 4.539 4.007 5.110 . 0 0 "[ . 1 .]" 1
977 1 36 SER HB3 1 39 LYS HB3 3.650 . 5.500 4.384 3.866 4.918 . 0 0 "[ . 1 .]" 1
978 1 36 SER HB3 1 39 LYS HB2 3.650 . 5.500 2.670 2.191 3.173 . 0 0 "[ . 1 .]" 1
979 1 26 ILE HA 1 30 LEU HG 3.385 . 4.970 4.387 4.041 4.725 . 0 0 "[ . 1 .]" 1
980 1 101 LYS HA 1 101 LYS HD2 3.650 . 5.500 4.372 3.548 5.293 . 0 0 "[ . 1 .]" 1
981 1 101 LYS HD3 1 102 SER HB3 3.650 . 5.500 3.399 2.013 5.206 . 0 0 "[ . 1 .]" 1
982 1 101 LYS HD2 1 102 SER HB3 3.650 . 5.500 2.670 1.962 3.674 . 0 0 "[ . 1 .]" 1
983 1 101 LYS HA 1 101 LYS HE3 3.650 . 5.500 5.179 4.507 5.514 0.014 3 0 "[ . 1 .]" 1
984 1 93 SER HB2 1 110 PHE HA 3.650 . 5.500 4.615 4.033 5.255 . 0 0 "[ . 1 .]" 1
985 1 93 SER HB3 1 110 PHE HA 3.650 . 5.500 4.340 3.547 5.231 . 0 0 "[ . 1 .]" 1
986 1 36 SER HB2 1 39 LYS HB2 3.650 . 5.500 2.264 1.997 2.697 . 0 0 "[ . 1 .]" 1
987 1 26 ILE QG 1 27 ASP HA 4.090 . 6.380 5.678 5.487 5.757 . 0 0 "[ . 1 .]" 1
988 1 37 GLU HG2 1 38 ALA HA 3.310 . 4.820 4.431 4.334 4.770 . 0 0 "[ . 1 .]" 1
989 1 37 GLU HG3 1 38 ALA HA 3.310 . 4.820 4.288 4.130 4.349 . 0 0 "[ . 1 .]" 1
990 1 49 GLU HG3 1 53 LYS HG2 3.650 . 5.500 4.442 3.619 4.769 . 0 0 "[ . 1 .]" 1
991 1 49 GLU HG3 1 53 LYS HD2 3.650 . 5.500 3.821 3.572 4.167 . 0 0 "[ . 1 .]" 1
992 1 49 GLU HG2 1 53 LYS HD2 3.650 . 5.500 2.821 2.435 3.338 . 0 0 "[ . 1 .]" 1
993 1 49 GLU HG2 1 52 ILE QG 4.090 . 6.380 5.797 5.747 5.875 . 0 0 "[ . 1 .]" 1
994 1 68 CYS HB3 1 107 CYS HB2 3.650 . 5.500 4.317 2.385 5.561 0.061 7 0 "[ . 1 .]" 1
995 1 68 CYS HB3 1 107 CYS HB3 3.650 . 5.500 4.155 2.364 5.599 0.099 2 0 "[ . 1 .]" 1
996 1 68 CYS HB2 1 107 CYS HB3 3.650 . 5.500 3.876 2.269 4.817 . 0 0 "[ . 1 .]" 1
997 1 68 CYS HB2 1 107 CYS HB2 3.650 . 5.500 3.833 2.494 5.689 0.189 11 0 "[ . 1 .]" 1
998 1 69 ILE QG 1 106 ILE QG 4.525 . 7.250 4.881 4.645 4.991 . 0 0 "[ . 1 .]" 1
999 1 97 ARG HD2 1 106 ILE QG 4.090 . 6.380 4.654 3.575 5.693 . 0 0 "[ . 1 .]" 1
1000 1 97 ARG HD3 1 106 ILE QG 4.090 . 6.380 3.753 2.710 5.708 . 0 0 "[ . 1 .]" 1
1001 1 94 ARG HA 1 94 ARG HD2 3.540 . 5.280 3.629 2.412 4.957 . 0 0 "[ . 1 .]" 1
1002 1 94 ARG HA 1 94 ARG HD3 3.540 . 5.280 3.311 1.988 4.701 . 0 0 "[ . 1 .]" 1
1003 1 93 SER HA 1 110 PHE HB2 3.650 . 5.500 4.216 3.909 4.521 . 0 0 "[ . 1 .]" 1
1004 1 93 SER HA 1 110 PHE HB3 3.650 . 5.500 3.545 2.392 4.377 . 0 0 "[ . 1 .]" 1
1005 1 36 SER HB3 1 39 LYS HE2 3.650 . 5.500 2.162 1.982 2.469 . 0 0 "[ . 1 .]" 1
1006 1 36 SER HB3 1 39 LYS HE3 3.650 . 5.500 3.396 2.648 3.973 . 0 0 "[ . 1 .]" 1
1007 1 36 SER HB2 1 39 LYS HE3 3.650 . 5.500 2.889 1.990 3.582 . 0 0 "[ . 1 .]" 1
1008 1 35 TYR QE 1 37 GLU HG2 4.715 . 7.630 6.423 5.696 7.074 . 0 0 "[ . 1 .]" 1
1009 1 35 TYR QE 1 37 GLU HG3 4.715 . 7.630 5.636 4.715 6.354 . 0 0 "[ . 1 .]" 1
1010 1 35 TYR QE 1 101 LYS HD3 4.715 . 7.630 6.294 5.532 6.723 . 0 0 "[ . 1 .]" 1
1011 1 35 TYR QE 1 101 LYS HD2 4.715 . 7.630 5.273 4.124 6.630 . 0 0 "[ . 1 .]" 1
1012 1 35 TYR QE 1 101 LYS HE3 4.715 . 7.630 5.357 4.023 6.732 . 0 0 "[ . 1 .]" 1
1013 1 35 TYR QE 1 101 LYS HE2 4.715 . 7.630 6.142 4.544 7.050 . 0 0 "[ . 1 .]" 1
1014 1 35 TYR QE 1 73 LYS HA 4.715 . 7.630 6.948 6.440 7.090 . 0 0 "[ . 1 .]" 1
1015 1 73 LYS HA 1 73 LYS HE3 3.605 . 5.410 4.366 3.134 5.310 . 0 0 "[ . 1 .]" 1
1016 1 73 LYS HA 1 73 LYS HE2 3.605 . 5.410 4.458 2.531 5.417 0.007 14 0 "[ . 1 .]" 1
1017 1 56 THR HA 1 56 THR MG 2.615 . 3.430 2.552 2.399 2.672 . 0 0 "[ . 1 .]" 1
1018 1 37 GLU QG 1 38 ALA MB 3.900 . 6.000 4.477 4.422 4.507 . 0 0 "[ . 1 .]" 1
1019 1 8 VAL HA 1 8 VAL MG1 2.690 . 3.580 2.094 2.019 2.188 . 0 0 "[ . 1 .]" 1
1020 1 8 VAL HA 1 8 VAL MG2 2.690 . 3.580 2.813 2.738 2.886 . 0 0 "[ . 1 .]" 1
1021 1 58 LEU HA 1 58 LEU MD2 3.790 . 5.780 2.959 2.432 3.736 . 0 0 "[ . 1 .]" 1
1022 1 58 LEU HA 1 58 LEU MD1 3.790 . 5.780 2.776 1.973 3.741 . 0 0 "[ . 1 .]" 1
1023 1 52 ILE HB 1 52 ILE MD 2.705 . 3.610 3.148 2.860 3.208 . 0 0 "[ . 1 .]" 1
1024 1 52 ILE HA 1 52 ILE MD 3.110 . 4.420 3.108 2.821 3.896 . 0 0 "[ . 1 .]" 1
1025 1 106 ILE HB 1 106 ILE MD 2.770 . 3.740 2.168 2.064 2.293 . 0 0 "[ . 1 .]" 1
1026 1 112 LEU HA 1 112 LEU MD2 3.310 . 4.820 3.861 3.798 3.901 . 0 0 "[ . 1 .]" 1
1027 1 112 LEU HA 1 112 LEU MD1 3.310 . 4.820 2.192 2.048 2.324 . 0 0 "[ . 1 .]" 1
1028 1 55 LEU HA 1 55 LEU MD1 3.265 . 4.730 3.535 1.880 3.947 . 0 0 "[ . 1 .]" 1
1029 1 55 LEU HA 1 55 LEU MD2 2.860 . 3.920 2.155 1.921 3.010 . 0 0 "[ . 1 .]" 1
1030 1 48 LEU HA 1 48 LEU MD2 3.620 . 5.440 3.759 3.718 3.779 . 0 0 "[ . 1 .]" 1
1031 1 44 THR MG 1 48 LEU MD1 3.780 . 5.760 3.744 3.689 3.826 . 0 0 "[ . 1 .]" 1
1032 1 48 LEU HB3 1 48 LEU MD1 2.740 . 3.680 3.150 3.131 3.169 . 0 0 "[ . 1 .]" 1
1033 1 48 LEU HA 1 48 LEU MD1 3.480 . 5.160 1.889 1.795 1.948 0.005 12 0 "[ . 1 .]" 1
1034 1 30 LEU HA 1 30 LEU MD2 3.325 . 4.850 2.692 2.594 2.903 . 0 0 "[ . 1 .]" 1
1035 1 30 LEU HA 1 30 LEU MD1 3.325 . 4.850 2.006 1.932 2.143 . 0 0 "[ . 1 .]" 1
1036 1 26 ILE MG 1 30 LEU HB3 4.165 . 6.530 3.680 3.351 4.611 . 0 0 "[ . 1 .]" 1
1037 1 78 LEU HA 1 78 LEU MD1 3.650 . 5.500 3.062 2.221 3.622 . 0 0 "[ . 1 .]" 1
1038 1 78 LEU HA 1 78 LEU MD2 3.650 . 5.500 3.022 1.934 3.944 . 0 0 "[ . 1 .]" 1
1039 1 26 ILE HA 1 26 ILE MD 3.110 . 4.420 2.858 2.602 3.148 . 0 0 "[ . 1 .]" 1
1040 1 96 VAL HA 1 96 VAL MG2 2.615 . 3.430 2.427 2.208 2.611 . 0 0 "[ . 1 .]" 1
1041 1 96 VAL HA 1 96 VAL MG1 2.615 . 3.430 2.315 2.117 2.588 . 0 0 "[ . 1 .]" 1
1042 1 29 VAL HA 1 29 VAL MG1 2.615 . 3.430 2.884 2.813 2.911 . 0 0 "[ . 1 .]" 1
1043 1 29 VAL HA 1 29 VAL MG2 2.705 . 3.610 2.016 1.956 2.149 . 0 0 "[ . 1 .]" 1
1044 1 70 ILE HB 1 70 ILE MD 2.770 . 3.740 2.201 2.003 3.221 . 0 0 "[ . 1 .]" 1
1045 1 70 ILE MD 1 70 ILE MG 3.130 . 4.460 2.719 1.886 3.241 . 0 0 "[ . 1 .]" 1
1046 1 90 THR HA 1 113 ALA MB 4.040 . 6.280 4.003 3.136 4.440 . 0 0 "[ . 1 .]" 1
1047 1 65 VAL HB 1 112 LEU MD2 3.575 . 5.350 3.533 2.749 4.406 . 0 0 "[ . 1 .]" 1
1048 1 65 VAL HB 1 112 LEU MD1 3.575 . 5.350 3.773 3.040 4.404 . 0 0 "[ . 1 .]" 1
1049 1 65 VAL HA 1 112 LEU MD1 4.165 . 6.530 5.343 5.274 5.409 . 0 0 "[ . 1 .]" 1
1050 1 65 VAL HA 1 112 LEU MD2 4.165 . 6.530 4.978 4.445 5.326 . 0 0 "[ . 1 .]" 1
1051 1 55 LEU MD2 1 109 VAL MG1 4.680 . 7.560 3.127 2.084 4.392 . 0 0 "[ . 1 .]" 1
1052 1 28 ALA MB 1 29 VAL MG2 4.165 . 6.530 3.480 3.310 3.605 . 0 0 "[ . 1 .]" 1
1053 1 55 LEU MD2 1 109 VAL MG2 4.680 . 7.560 4.220 3.025 4.860 . 0 0 "[ . 1 .]" 1
1054 1 55 LEU MD1 1 109 VAL MG2 4.150 . 6.500 3.985 3.604 4.326 . 0 0 "[ . 1 .]" 1
1055 1 69 ILE MG 1 106 ILE QG 4.275 . 6.750 4.847 4.807 4.880 . 0 0 "[ . 1 .]" 1
1056 1 69 ILE HB 1 106 ILE MD 3.730 . 5.660 4.326 4.259 4.437 . 0 0 "[ . 1 .]" 1
1057 1 23 LYS HD3 1 96 VAL MG2 5.430 . 9.060 4.697 2.961 5.792 . 0 0 "[ . 1 .]" 1
1058 1 23 LYS HD2 1 96 VAL MG2 5.430 . 9.060 4.410 3.000 5.688 . 0 0 "[ . 1 .]" 1
1059 1 96 VAL MG2 1 98 TRP HB2 5.490 . 9.180 6.398 5.575 7.389 . 0 0 "[ . 1 .]" 1
1060 1 96 VAL MG2 1 109 VAL MG2 6.240 . 10.680 3.321 3.034 3.866 . 0 0 "[ . 1 .]" 1
1061 1 48 LEU MD1 1 67 THR MG 4.415 . 7.030 4.608 4.223 4.738 . 0 0 "[ . 1 .]" 1
1062 1 65 VAL MG1 1 67 THR MG 3.980 . 6.160 3.355 2.582 4.059 . 0 0 "[ . 1 .]" 1
1063 1 67 THR MG 1 108 THR MG 4.525 . 7.250 1.673 1.647 1.707 0.153 2 0 "[ . 1 .]" 1
1064 1 90 THR MG 1 113 ALA MB 4.680 . 7.560 4.478 3.468 5.063 . 0 0 "[ . 1 .]" 1
1065 1 89 THR HB 1 90 THR MG 3.900 . 6.000 4.553 4.185 4.872 . 0 0 "[ . 1 .]" 1
1066 1 89 THR MG 1 90 THR MG 4.490 . 7.180 2.089 1.788 2.597 0.012 12 0 "[ . 1 .]" 1
1067 1 80 THR MG 1 81 ALA MB 4.475 . 7.150 3.906 3.855 3.988 . 0 0 "[ . 1 .]" 1
1068 1 80 THR MG 1 81 ALA HA 4.165 . 6.530 3.747 3.648 3.901 . 0 0 "[ . 1 .]" 1
1069 1 69 ILE MD 1 106 ILE MD 4.680 . 7.560 3.956 3.607 4.279 . 0 0 "[ . 1 .]" 1
1070 1 66 VAL HA 1 67 THR MG 3.620 . 5.440 3.677 3.554 3.835 . 0 0 "[ . 1 .]" 1
1071 1 48 LEU MD1 1 67 THR HA 3.760 . 5.720 2.926 2.380 3.134 . 0 0 "[ . 1 .]" 1
1072 1 48 LEU MD1 1 67 THR HB 4.085 . 6.370 4.950 4.433 5.129 . 0 0 "[ . 1 .]" 1
1073 1 65 VAL MG2 1 112 LEU MD1 4.120 . 6.440 3.598 2.331 4.344 . 0 0 "[ . 1 .]" 1
1074 1 21 ILE QG 1 55 LEU MD2 4.385 . 6.970 3.858 3.474 4.897 . 0 0 "[ . 1 .]" 1
1075 1 21 ILE QG 1 55 LEU MD1 4.600 . 7.400 5.378 4.424 5.587 . 0 0 "[ . 1 .]" 1
1076 1 56 THR HB 1 57 ALA MB 4.165 . 6.530 5.182 5.016 5.335 . 0 0 "[ . 1 .]" 1
1077 1 55 LEU MD1 1 56 THR MG 4.370 . 6.940 4.465 3.906 4.786 . 0 0 "[ . 1 .]" 1
1078 1 55 LEU MD2 1 56 THR MG 4.680 . 7.560 5.057 4.387 5.237 . 0 0 "[ . 1 .]" 1
1079 1 56 THR MG 1 57 ALA MB 4.680 . 7.560 4.789 4.457 5.100 . 0 0 "[ . 1 .]" 1
1080 1 52 ILE HB 1 56 THR MG 3.790 . 5.780 4.835 4.541 5.041 . 0 0 "[ . 1 .]" 1
1081 1 52 ILE HA 1 55 LEU MD2 4.165 . 6.530 4.478 2.445 5.140 . 0 0 "[ . 1 .]" 1
1082 1 21 ILE MG 1 55 LEU MD2 3.330 . 4.860 2.858 1.893 3.064 . 0 0 "[ . 1 .]" 1
1083 1 21 ILE MG 1 55 LEU MD1 3.825 . 5.850 3.768 3.454 3.904 . 0 0 "[ . 1 .]" 1
1084 1 55 LEU MD1 1 109 VAL MG1 4.150 . 6.500 2.342 1.881 2.945 . 0 0 "[ . 1 .]" 1
1085 1 21 ILE MD 1 55 LEU HA 4.025 . 6.250 2.972 2.656 3.456 . 0 0 "[ . 1 .]" 1
1086 1 54 ARG HA 1 57 ALA MB 2.675 . 3.550 2.424 1.909 2.814 . 0 0 "[ . 1 .]" 1
1087 1 21 ILE MG 1 54 ARG HA 3.745 . 5.690 4.220 3.984 4.380 . 0 0 "[ . 1 .]" 1
1088 1 21 ILE MD 1 54 ARG HA 3.855 . 5.910 4.530 4.115 4.779 . 0 0 "[ . 1 .]" 1
1089 1 21 ILE MD 1 54 ARG HD3 3.915 . 6.030 3.995 2.940 4.864 . 0 0 "[ . 1 .]" 1
1090 1 21 ILE MD 1 54 ARG HD2 3.915 . 6.030 3.613 2.297 4.831 . 0 0 "[ . 1 .]" 1
1091 1 21 ILE MG 1 54 ARG HG3 3.790 . 5.780 2.586 1.968 3.227 . 0 0 "[ . 1 .]" 1
1092 1 21 ILE MD 1 54 ARG HG3 3.825 . 5.850 3.504 2.614 4.326 . 0 0 "[ . 1 .]" 1
1093 1 21 ILE MG 1 54 ARG HG2 3.790 . 5.780 2.834 1.826 3.752 . 0 0 "[ . 1 .]" 1
1094 1 21 ILE MD 1 54 ARG HG2 3.825 . 5.850 3.759 1.964 4.776 . 0 0 "[ . 1 .]" 1
1095 1 54 ARG HD3 1 57 ALA MB 3.480 . 5.160 3.649 2.831 4.320 . 0 0 "[ . 1 .]" 1
1096 1 54 ARG HD2 1 57 ALA MB 3.480 . 5.160 4.090 3.748 4.354 . 0 0 "[ . 1 .]" 1
1097 1 52 ILE QG 1 56 THR MG 4.310 . 6.820 3.163 2.190 3.525 . 0 0 "[ . 1 .]" 1
1098 1 52 ILE MD 1 56 THR MG 4.585 . 7.370 1.975 1.768 2.728 0.032 9 0 "[ . 1 .]" 1
1099 1 52 ILE HA 1 55 LEU MD1 3.730 . 5.660 3.055 2.139 4.848 . 0 0 "[ . 1 .]" 1
1100 1 51 CYS HB2 1 66 VAL MG1 4.315 . 6.830 2.630 2.042 2.891 . 0 0 "[ . 1 .]" 1
1101 1 51 CYS HB3 1 66 VAL MG1 4.315 . 6.830 1.963 1.799 2.221 0.001 2 0 "[ . 1 .]" 1
1102 1 48 LEU MD1 1 51 CYS HB3 3.125 . 4.450 3.432 3.301 3.740 . 0 0 "[ . 1 .]" 1
1103 1 45 SER HA 1 48 LEU MD1 3.650 . 5.500 3.845 3.622 4.039 . 0 0 "[ . 1 .]" 1
1104 1 45 SER HA 1 48 LEU MD2 3.450 . 5.100 2.319 1.979 2.624 . 0 0 "[ . 1 .]" 1
1105 1 48 LEU MD1 1 51 CYS HB2 3.125 . 4.450 3.501 3.185 3.577 . 0 0 "[ . 1 .]" 1
1106 1 29 VAL MG2 1 47 CYS HA 2.925 . 4.050 1.934 1.859 2.076 . 0 0 "[ . 1 .]" 1
1107 1 47 CYS HA 1 48 LEU MD1 4.135 . 6.470 4.659 4.541 4.961 . 0 0 "[ . 1 .]" 1
1108 1 29 VAL MG2 1 47 CYS HB2 3.235 . 4.670 2.996 2.677 3.141 . 0 0 "[ . 1 .]" 1
1109 1 47 CYS HB2 1 48 LEU MD1 3.515 . 5.230 4.227 4.041 4.347 . 0 0 "[ . 1 .]" 1
1110 1 44 THR MG 1 47 CYS HB3 4.150 . 6.500 4.497 4.192 5.108 . 0 0 "[ . 1 .]" 1
1111 1 29 VAL MG2 1 47 CYS HB3 3.235 . 4.670 3.797 3.676 3.954 . 0 0 "[ . 1 .]" 1
1112 1 47 CYS HB3 1 48 LEU MD1 3.515 . 5.230 2.949 2.819 3.216 . 0 0 "[ . 1 .]" 1
1113 1 29 VAL MG1 1 46 SER HB3 3.015 . 4.230 3.261 2.806 3.412 . 0 0 "[ . 1 .]" 1
1114 1 29 VAL MG2 1 46 SER HB3 3.295 . 4.790 1.916 1.800 2.164 . 0 0 "[ . 1 .]" 1
1115 1 29 VAL MG1 1 46 SER HB2 3.015 . 4.230 2.999 2.760 3.408 . 0 0 "[ . 1 .]" 1
1116 1 29 VAL MG2 1 46 SER HB2 3.295 . 4.790 2.679 2.366 3.170 . 0 0 "[ . 1 .]" 1
1117 1 29 VAL MG1 1 46 SER HA 3.670 . 5.540 4.593 4.571 4.638 . 0 0 "[ . 1 .]" 1
1118 1 29 VAL MG2 1 46 SER HA 3.495 . 5.190 3.741 3.577 3.913 . 0 0 "[ . 1 .]" 1
1119 1 45 SER HB3 1 48 LEU MD2 3.700 . 5.600 4.522 4.465 4.591 . 0 0 "[ . 1 .]" 1
1120 1 45 SER HB2 1 48 LEU MD2 3.700 . 5.600 4.293 4.116 4.487 . 0 0 "[ . 1 .]" 1
1121 1 41 SER HA 1 44 THR MG 4.070 . 6.340 2.740 2.368 3.343 . 0 0 "[ . 1 .]" 1
1122 1 44 THR MG 1 48 LEU MD2 4.025 . 6.250 3.026 2.758 3.226 . 0 0 "[ . 1 .]" 1
1123 1 44 THR HB 1 48 LEU MD2 4.165 . 6.530 5.307 5.174 5.382 . 0 0 "[ . 1 .]" 1
1124 1 38 ALA MB 1 39 LYS HE3 3.855 . 5.910 4.300 4.138 4.678 . 0 0 "[ . 1 .]" 1
1125 1 38 ALA MB 1 39 LYS HA 3.530 . 5.260 3.974 3.885 4.134 . 0 0 "[ . 1 .]" 1
1126 1 38 ALA MB 1 39 LYS HG3 4.025 . 6.250 4.810 4.323 5.118 . 0 0 "[ . 1 .]" 1
1127 1 38 ALA MB 1 39 LYS HG2 4.025 . 6.250 5.053 4.996 5.120 . 0 0 "[ . 1 .]" 1
1128 1 38 ALA MB 1 39 LYS HD2 4.165 . 6.530 3.959 3.717 4.205 . 0 0 "[ . 1 .]" 1
1129 1 38 ALA MB 1 39 LYS HD3 4.165 . 6.530 2.709 2.328 3.007 . 0 0 "[ . 1 .]" 1
1130 1 37 GLU HB2 1 38 ALA MB 4.165 . 6.530 5.353 5.305 5.387 . 0 0 "[ . 1 .]" 1
1131 1 38 ALA MB 1 39 LYS HE2 3.855 . 5.910 2.922 2.575 3.404 . 0 0 "[ . 1 .]" 1
1132 1 37 GLU HG2 1 40 VAL MG2 3.930 . 6.060 4.762 3.960 4.954 . 0 0 "[ . 1 .]" 1
1133 1 37 GLU HG2 1 38 ALA MB 3.960 . 6.120 4.942 4.893 4.998 . 0 0 "[ . 1 .]" 1
1134 1 37 GLU HG3 1 40 VAL MG2 3.930 . 6.060 3.439 2.388 3.712 . 0 0 "[ . 1 .]" 1
1135 1 37 GLU HG3 1 38 ALA MB 3.960 . 6.120 5.123 4.930 5.169 . 0 0 "[ . 1 .]" 1
1136 1 37 GLU HA 1 40 VAL MG1 3.015 . 4.230 3.206 1.830 3.551 . 0 0 "[ . 1 .]" 1
1137 1 37 GLU HA 1 40 VAL MG2 3.030 . 4.260 2.024 1.915 2.223 . 0 0 "[ . 1 .]" 1
1138 1 29 VAL MG1 1 30 LEU MD2 4.680 . 7.560 1.741 1.695 1.798 0.105 11 0 "[ . 1 .]" 1
1139 1 29 VAL MG1 1 30 LEU MD1 4.680 . 7.560 3.113 2.937 3.202 . 0 0 "[ . 1 .]" 1
1140 1 27 ASP HB2 1 28 ALA MB 4.070 . 6.340 5.128 5.012 5.208 . 0 0 "[ . 1 .]" 1
1141 1 28 ALA MB 1 29 VAL HB 3.855 . 5.910 3.915 3.841 4.063 . 0 0 "[ . 1 .]" 1
1142 1 26 ILE MD 1 29 VAL MG1 3.715 . 5.630 3.817 3.750 3.855 . 0 0 "[ . 1 .]" 1
1143 1 26 ILE MD 1 107 CYS HB3 3.015 . 4.230 2.886 2.427 3.355 . 0 0 "[ . 1 .]" 1
1144 1 26 ILE MD 1 107 CYS HB2 3.015 . 4.230 2.950 2.143 3.209 . 0 0 "[ . 1 .]" 1
1145 1 26 ILE HA 1 29 VAL MG2 4.040 . 6.280 4.118 3.850 4.364 . 0 0 "[ . 1 .]" 1
1146 1 25 SER HA 1 29 VAL MG2 4.165 . 6.530 4.076 3.835 4.243 . 0 0 "[ . 1 .]" 1
1147 1 23 LYS HA 1 26 ILE MD 3.155 . 4.510 2.714 2.402 3.039 . 0 0 "[ . 1 .]" 1
1148 1 23 LYS HG3 1 96 VAL MG2 5.060 . 8.320 3.432 2.663 3.904 . 0 0 "[ . 1 .]" 1
1149 1 23 LYS HG3 1 26 ILE MD 3.650 . 5.500 4.433 4.341 4.560 . 0 0 "[ . 1 .]" 1
1150 1 23 LYS HG2 1 96 VAL MG2 5.060 . 8.320 4.374 3.203 4.900 . 0 0 "[ . 1 .]" 1
1151 1 21 ILE MD 1 55 LEU MD2 3.515 . 5.230 2.034 1.776 3.297 0.024 3 0 "[ . 1 .]" 1
1152 1 21 ILE MD 1 55 LEU MD1 4.415 . 7.030 3.641 2.395 3.942 . 0 0 "[ . 1 .]" 1
1153 1 18 VAL HA 1 55 LEU MD2 3.515 . 5.230 3.064 2.545 4.225 . 0 0 "[ . 1 .]" 1
1154 1 18 VAL MG1 1 55 LEU MD2 4.230 . 6.660 2.157 1.716 3.042 0.084 12 0 "[ . 1 .]" 1
1155 1 18 VAL MG2 1 55 LEU MD2 4.230 . 6.660 2.653 2.046 3.946 . 0 0 "[ . 1 .]" 1
1156 1 18 VAL MG2 1 109 VAL MG2 5.805 . 9.810 4.323 3.838 4.855 . 0 0 "[ . 1 .]" 1
1157 1 18 VAL MG1 1 109 VAL MG2 5.805 . 9.810 2.048 1.790 2.576 0.010 2 0 "[ . 1 .]" 1
1158 1 7 ALA MB 1 8 VAL HA 3.420 . 5.040 4.013 3.826 4.189 . 0 0 "[ . 1 .]" 1
1159 1 7 ALA MB 1 10 GLU HB2 3.775 . 5.750 3.507 2.730 3.916 . 0 0 "[ . 1 .]" 1
1160 1 7 ALA MB 1 10 GLU HB3 4.135 . 6.470 4.949 4.136 5.248 . 0 0 "[ . 1 .]" 1
1161 1 7 ALA MB 1 10 GLU HG2 3.775 . 5.750 4.500 4.119 4.670 . 0 0 "[ . 1 .]" 1
1162 1 7 ALA MB 1 8 VAL MG2 4.680 . 7.560 3.940 3.635 4.378 . 0 0 "[ . 1 .]" 1
1163 1 6 PRO HD3 1 8 VAL MG1 5.725 . 9.650 6.271 3.781 7.027 . 0 0 "[ . 1 .]" 1
1164 1 6 PRO HD2 1 8 VAL MG1 5.725 . 9.650 5.454 2.770 6.337 . 0 0 "[ . 1 .]" 1
1165 1 6 PRO HA 1 7 ALA MB 4.165 . 6.530 4.048 3.936 4.306 . 0 0 "[ . 1 .]" 1
1166 1 8 VAL MG1 1 9 GLU HA 4.165 . 6.530 4.459 4.171 4.626 . 0 0 "[ . 1 .]" 1
1167 1 30 LEU MD2 1 44 THR MG 4.680 . 7.560 5.066 4.900 5.213 . 0 0 "[ . 1 .]" 1
1168 1 30 LEU MD1 1 44 THR MG 4.680 . 7.560 5.169 5.083 5.240 . 0 0 "[ . 1 .]" 1
1169 1 65 VAL MG1 1 112 LEU MD1 4.680 . 7.560 3.621 1.942 4.784 . 0 0 "[ . 1 .]" 1
1170 1 95 THR HA 1 108 THR MG 3.140 . 4.480 3.816 3.689 3.874 . 0 0 "[ . 1 .]" 1
1171 1 95 THR MG 1 108 THR HA 3.590 . 5.380 4.634 4.605 4.671 . 0 0 "[ . 1 .]" 1
1172 1 95 THR MG 1 108 THR HB 3.360 . 4.920 3.991 3.914 4.139 . 0 0 "[ . 1 .]" 1
1173 1 95 THR MG 1 108 THR MG 4.320 . 6.840 4.766 4.681 4.810 . 0 0 "[ . 1 .]" 1
1174 1 95 THR HB 1 108 THR MG 3.390 . 4.980 3.761 3.579 3.937 . 0 0 "[ . 1 .]" 1
1175 1 25 SER HA 1 28 ALA MB 2.770 . 3.740 2.929 2.794 3.077 . 0 0 "[ . 1 .]" 1
1176 1 29 VAL HB 1 30 LEU MD2 4.165 . 6.530 3.010 2.821 3.220 . 0 0 "[ . 1 .]" 1
1177 1 26 ILE QG 1 29 VAL MG1 3.935 . 6.070 3.039 2.673 3.393 . 0 0 "[ . 1 .]" 1
1178 1 29 VAL MG2 1 50 HIS HB2 4.165 . 6.530 2.512 2.208 2.944 . 0 0 "[ . 1 .]" 1
1179 1 29 VAL MG2 1 50 HIS HB3 4.165 . 6.530 3.503 3.243 3.945 . 0 0 "[ . 1 .]" 1
1180 1 49 GLU HA 1 52 ILE MD 4.165 . 6.530 4.325 3.787 4.534 . 0 0 "[ . 1 .]" 1
1181 1 49 GLU HA 1 52 ILE MG 4.025 . 6.250 1.813 1.774 1.874 0.026 14 0 "[ . 1 .]" 1
1182 1 49 GLU HG3 1 52 ILE MD 4.165 . 6.530 4.886 3.964 5.221 . 0 0 "[ . 1 .]" 1
1183 1 26 ILE QG 1 30 LEU MD1 4.480 . 7.160 4.418 4.139 4.697 . 0 0 "[ . 1 .]" 1
1184 1 26 ILE MG 1 30 LEU MD1 4.680 . 7.560 3.789 3.350 4.614 . 0 0 "[ . 1 .]" 1
1185 1 36 SER HB2 1 38 ALA MB 4.165 . 6.530 4.457 4.307 4.637 . 0 0 "[ . 1 .]" 1
1186 1 36 SER HB3 1 38 ALA MB 4.165 . 6.530 3.112 2.925 3.352 . 0 0 "[ . 1 .]" 1
1187 1 23 LYS HG2 1 26 ILE MD 3.650 . 5.500 4.366 4.229 4.485 . 0 0 "[ . 1 .]" 1
1188 1 26 ILE HA 1 29 VAL MG1 3.125 . 4.450 2.581 2.360 2.843 . 0 0 "[ . 1 .]" 1
1189 1 51 CYS HA 1 55 LEU MD1 3.945 . 6.090 4.558 3.829 5.064 . 0 0 "[ . 1 .]" 1
1190 1 51 CYS HB2 1 109 VAL MG1 4.640 . 7.480 5.016 4.594 6.142 . 0 0 "[ . 1 .]" 1
1191 1 51 CYS HB3 1 109 VAL MG1 4.640 . 7.480 4.395 3.846 5.541 . 0 0 "[ . 1 .]" 1
1192 1 89 THR HA 1 90 THR MG 4.165 . 6.530 4.692 4.299 4.994 . 0 0 "[ . 1 .]" 1
1193 1 38 ALA MB 1 39 LYS HB3 4.165 . 6.530 5.179 5.099 5.324 . 0 0 "[ . 1 .]" 1
1194 1 38 ALA MB 1 39 LYS HB2 4.165 . 6.530 3.957 3.806 4.090 . 0 0 "[ . 1 .]" 1
1195 1 56 THR MG 1 57 ALA HA 4.165 . 6.530 5.358 5.205 5.514 . 0 0 "[ . 1 .]" 1
1196 1 66 VAL MG2 1 109 VAL MG2 4.680 . 7.560 3.998 3.051 4.576 . 0 0 "[ . 1 .]" 1
1197 1 27 ASP HB3 1 28 ALA MB 4.165 . 6.530 3.732 3.600 3.855 . 0 0 "[ . 1 .]" 1
1198 1 28 ALA MB 1 29 VAL MG1 4.630 . 7.460 4.885 4.834 4.964 . 0 0 "[ . 1 .]" 1
1199 1 29 VAL MG2 1 30 LEU MD1 4.630 . 7.460 5.105 5.015 5.190 . 0 0 "[ . 1 .]" 1
1200 1 29 VAL MG2 1 30 LEU MD2 4.630 . 7.460 3.783 3.665 3.945 . 0 0 "[ . 1 .]" 1
1201 1 37 GLU HB3 1 38 ALA MB 4.165 . 6.530 4.038 3.965 4.102 . 0 0 "[ . 1 .]" 1
1202 1 7 ALA MB 1 10 GLU HG3 3.775 . 5.750 4.191 3.073 4.701 . 0 0 "[ . 1 .]" 1
1203 1 7 ALA MB 1 8 VAL MG1 4.680 . 7.560 5.002 4.821 5.208 . 0 0 "[ . 1 .]" 1
1204 1 8 VAL MG1 1 9 GLU HG3 4.165 . 6.530 4.151 3.672 4.621 . 0 0 "[ . 1 .]" 1
1205 1 8 VAL MG1 1 9 GLU HG2 4.165 . 6.530 3.644 2.996 4.153 . 0 0 "[ . 1 .]" 1
1206 1 8 VAL MG2 1 9 GLU HG3 4.165 . 6.530 4.325 3.126 5.436 . 0 0 "[ . 1 .]" 1
1207 1 8 VAL MG2 1 9 GLU HG2 4.165 . 6.530 4.420 3.085 5.473 . 0 0 "[ . 1 .]" 1
1208 1 8 VAL MG2 1 9 GLU HA 4.165 . 6.530 5.100 4.982 5.183 . 0 0 "[ . 1 .]" 1
1209 1 8 VAL MG2 1 9 GLU HB3 4.165 . 6.530 5.536 5.475 5.606 . 0 0 "[ . 1 .]" 1
1210 1 8 VAL MG2 1 9 GLU HB2 4.165 . 6.530 4.586 4.156 5.183 . 0 0 "[ . 1 .]" 1
1211 1 8 VAL MG1 1 9 GLU HB3 4.165 . 6.530 5.357 5.007 5.459 . 0 0 "[ . 1 .]" 1
1212 1 8 VAL MG1 1 9 GLU HB2 4.165 . 6.530 4.908 4.027 5.525 . 0 0 "[ . 1 .]" 1
1213 1 66 VAL MG1 1 109 VAL MG2 4.680 . 7.560 2.982 1.814 3.489 . 0 0 "[ . 1 .]" 1
1214 1 65 VAL MG1 1 112 LEU MD2 4.680 . 7.560 3.471 1.929 4.329 . 0 0 "[ . 1 .]" 1
1215 1 49 GLU HG2 1 52 ILE MD 4.165 . 6.530 4.706 4.209 5.003 . 0 0 "[ . 1 .]" 1
1216 1 29 VAL MG2 1 43 TRP HA 3.530 . 5.260 4.100 3.843 4.367 . 0 0 "[ . 1 .]" 1
1217 1 29 VAL MG1 1 43 TRP HA 3.405 . 5.010 2.856 2.633 3.000 . 0 0 "[ . 1 .]" 1
1218 1 26 ILE QG 1 30 LEU MD2 4.480 . 7.160 2.372 2.035 2.582 . 0 0 "[ . 1 .]" 1
1219 1 26 ILE MG 1 30 LEU MD2 4.680 . 7.560 2.162 1.883 2.942 . 0 0 "[ . 1 .]" 1
1220 1 65 VAL MG2 1 112 LEU MD2 4.120 . 6.440 2.964 1.890 3.933 . 0 0 "[ . 1 .]" 1
1221 1 65 VAL MG2 1 110 PHE HA 4.165 . 6.530 5.167 3.952 5.713 . 0 0 "[ . 1 .]" 1
1222 1 65 VAL MG2 1 67 THR MG 4.490 . 7.180 3.995 2.813 4.671 . 0 0 "[ . 1 .]" 1
1223 1 29 VAL HB 1 30 LEU MD1 4.165 . 6.530 5.148 4.893 5.252 . 0 0 "[ . 1 .]" 1
1224 1 65 VAL MG1 1 108 THR MG 4.680 . 7.560 4.238 3.148 5.209 . 0 0 "[ . 1 .]" 1
1225 1 65 VAL MG2 1 108 THR MG 4.680 . 7.560 5.077 4.489 5.253 . 0 0 "[ . 1 .]" 1
1226 1 80 THR MG 1 82 ALA MB 4.680 . 7.560 3.320 3.142 3.536 . 0 0 "[ . 1 .]" 1
1227 1 48 LEU MD1 1 68 CYS HB2 3.515 . 5.230 2.862 2.385 3.914 . 0 0 "[ . 1 .]" 1
1228 1 48 LEU MD2 1 68 CYS HB2 3.495 . 5.190 3.603 2.653 4.311 . 0 0 "[ . 1 .]" 1
1229 1 48 LEU MD2 1 68 CYS HB3 3.495 . 5.190 3.650 3.151 4.343 . 0 0 "[ . 1 .]" 1
1230 1 48 LEU MD1 1 68 CYS HB3 3.515 . 5.230 3.160 2.720 3.859 . 0 0 "[ . 1 .]" 1
1231 1 44 THR MG 1 68 CYS HB3 3.435 . 5.070 2.960 2.420 4.107 . 0 0 "[ . 1 .]" 1
1232 1 44 THR MG 1 68 CYS HB2 3.435 . 5.070 3.416 2.260 4.146 . 0 0 "[ . 1 .]" 1
1233 1 48 LEU MD1 1 68 CYS HA 4.085 . 6.370 4.130 3.888 4.392 . 0 0 "[ . 1 .]" 1
1234 1 96 VAL MG2 1 98 TRP HB3 5.490 . 9.180 7.423 5.976 7.761 . 0 0 "[ . 1 .]" 1
1235 1 66 VAL MG2 1 109 VAL MG1 4.680 . 7.560 2.333 1.834 4.028 . 0 0 "[ . 1 .]" 1
1236 1 66 VAL MG1 1 109 VAL MG1 4.680 . 7.560 2.431 1.886 3.266 . 0 0 "[ . 1 .]" 1
1237 1 96 VAL MG1 1 109 VAL MG1 6.240 . 10.680 7.236 6.891 7.387 . 0 0 "[ . 1 .]" 1
1238 1 96 VAL MG2 1 109 VAL MG1 6.240 . 10.680 5.463 4.985 5.937 . 0 0 "[ . 1 .]" 1
1239 1 96 VAL MG2 1 107 CYS HB3 5.245 . 8.690 5.037 3.784 6.312 . 0 0 "[ . 1 .]" 1
1240 1 96 VAL MG2 1 107 CYS HB2 5.245 . 8.690 4.906 3.732 6.207 . 0 0 "[ . 1 .]" 1
1241 1 67 THR MG 1 106 ILE QG 4.600 . 7.400 5.312 5.223 5.395 . 0 0 "[ . 1 .]" 1
1242 1 69 ILE QG 1 106 ILE MD 4.600 . 7.400 5.399 5.311 5.474 . 0 0 "[ . 1 .]" 1
1243 1 69 ILE MG 1 106 ILE MD 4.505 . 7.210 4.836 4.693 4.891 . 0 0 "[ . 1 .]" 1
1244 1 69 ILE MG 1 106 ILE MG 4.680 . 7.560 2.742 2.669 2.843 . 0 0 "[ . 1 .]" 1
1245 1 69 ILE MD 1 106 ILE MG 4.680 . 7.560 2.684 2.533 2.800 . 0 0 "[ . 1 .]" 1
1246 1 69 ILE MD 1 108 THR MG 4.680 . 7.560 3.534 2.866 4.055 . 0 0 "[ . 1 .]" 1
1247 1 95 THR MG 1 106 ILE QG 3.860 . 5.920 3.508 3.147 3.924 . 0 0 "[ . 1 .]" 1
1248 1 95 THR MG 1 106 ILE MD 4.090 . 6.380 2.473 2.013 2.932 . 0 0 "[ . 1 .]" 1
1249 1 97 ARG HD2 1 106 ILE MD 3.715 . 5.630 3.385 2.100 4.546 . 0 0 "[ . 1 .]" 1
1250 1 97 ARG HD3 1 106 ILE MD 3.715 . 5.630 2.569 1.908 4.425 . 0 0 "[ . 1 .]" 1
1251 1 113 ALA MB 1 114 ILE MG 4.680 . 7.560 5.003 4.556 5.235 . 0 0 "[ . 1 .]" 1
1252 1 113 ALA MB 1 114 ILE MD 4.680 . 7.560 3.797 2.498 5.203 . 0 0 "[ . 1 .]" 1
1253 1 44 THR MG 1 47 CYS HB2 4.150 . 6.500 5.269 4.577 5.515 . 0 0 "[ . 1 .]" 1
1254 1 11 ALA MB 1 96 VAL MG1 4.680 . 7.560 3.498 2.931 3.823 . 0 0 "[ . 1 .]" 1
1255 1 11 ALA MB 1 96 VAL MG2 4.680 . 7.560 3.683 3.422 4.089 . 0 0 "[ . 1 .]" 1
1256 1 37 GLU HG3 1 40 VAL MG1 3.885 . 5.970 3.485 3.437 3.576 . 0 0 "[ . 1 .]" 1
1257 1 37 GLU HG2 1 40 VAL MG1 3.885 . 5.970 4.901 4.720 4.953 . 0 0 "[ . 1 .]" 1
1258 1 35 TYR QE 1 40 VAL MG2 5.120 . 8.440 2.719 1.853 4.211 . 0 0 "[ . 1 .]" 1
1259 1 64 TYR HA 1 65 VAL MG1 4.165 . 6.530 4.736 3.580 5.242 . 0 0 "[ . 1 .]" 1
1260 1 2 GLU HA 1 2 GLU QG 2.375 . 2.950 2.330 2.169 2.521 . 0 0 "[ . 1 .]" 1
1261 1 4 VAL QG 1 6 PRO HA 4.680 . 7.560 3.945 3.540 4.742 . 0 0 "[ . 1 .]" 1
1262 1 6 PRO HA 1 8 VAL QG 4.865 . 7.930 4.023 3.572 4.434 . 0 0 "[ . 1 .]" 1
1263 1 6 PRO QG 1 8 VAL QG 5.090 . 8.380 4.942 3.486 5.415 . 0 0 "[ . 1 .]" 1
1264 1 6 PRO QD 1 8 VAL QG 4.920 . 8.040 4.108 1.952 4.758 . 0 0 "[ . 1 .]" 1
1265 1 6 PRO HD2 1 8 VAL MG2 5.725 . 9.650 4.676 2.040 5.611 . 0 0 "[ . 1 .]" 1
1266 1 6 PRO HD3 1 8 VAL MG2 5.725 . 9.650 5.157 2.916 5.941 . 0 0 "[ . 1 .]" 1
1267 1 7 ALA HA 1 8 VAL QG 4.000 . 6.200 3.595 3.497 4.056 . 0 0 "[ . 1 .]" 1
1268 1 7 ALA MB 1 10 GLU QG 3.705 . 5.610 3.814 3.000 4.122 . 0 0 "[ . 1 .]" 1
1269 1 10 GLU HA 1 10 GLU QG 2.850 . 3.900 2.275 2.064 2.526 . 0 0 "[ . 1 .]" 1
1270 1 18 VAL HA 1 109 VAL QG 3.675 . 5.550 4.057 3.911 4.128 . 0 0 "[ . 1 .]" 1
1271 1 18 VAL HB 1 109 VAL QG 4.245 . 6.690 3.493 3.141 3.784 . 0 0 "[ . 1 .]" 1
1272 1 18 VAL QG 1 19 SER H 3.705 . 5.610 3.354 3.312 3.385 . 0 0 "[ . 1 .]" 1
1273 1 18 VAL QG 1 55 LEU MD2 4.070 . 6.340 2.038 1.675 2.902 0.125 12 0 "[ . 1 .]" 1
1274 1 18 VAL QG 1 109 VAL QG 4.675 . 7.550 1.761 1.643 1.970 0.157 13 0 "[ . 1 .]" 1
1275 1 18 VAL MG1 1 109 VAL MG1 5.805 . 9.810 1.974 1.745 2.208 0.055 13 0 "[ . 1 .]" 1
1276 1 18 VAL MG2 1 109 VAL MG1 5.805 . 9.810 3.652 3.166 4.082 . 0 0 "[ . 1 .]" 1
1277 1 19 SER HA 1 20 ASN QD 4.085 . 6.370 5.650 5.266 5.838 . 0 0 "[ . 1 .]" 1
1278 1 20 ASN HA 1 23 LYS QB 2.910 . 4.020 2.799 2.714 2.940 . 0 0 "[ . 1 .]" 1
1279 1 20 ASN HA 1 23 LYS QG 4.090 . 6.380 4.237 3.631 4.870 . 0 0 "[ . 1 .]" 1
1280 1 20 ASN QB 1 21 ILE H 2.940 . 4.080 3.413 3.329 3.499 . 0 0 "[ . 1 .]" 1
1281 1 21 ILE HA 1 24 GLU QG 4.040 . 6.280 4.156 3.452 4.940 . 0 0 "[ . 1 .]" 1
1282 1 21 ILE MG 1 54 ARG QG 3.720 . 5.640 2.047 1.815 2.487 . 0 0 "[ . 1 .]" 1
1283 1 21 ILE MG 1 54 ARG QD 3.285 . 4.770 3.087 2.678 3.431 . 0 0 "[ . 1 .]" 1
1284 1 21 ILE MD 1 54 ARG QG 3.750 . 5.700 3.148 1.910 4.014 . 0 0 "[ . 1 .]" 1
1285 1 21 ILE MD 1 54 ARG QD 3.835 . 5.870 3.254 2.279 4.116 . 0 0 "[ . 1 .]" 1
1286 1 22 ILE HA 1 25 SER QB 3.025 . 4.250 2.548 2.255 2.771 . 0 0 "[ . 1 .]" 1
1287 1 23 LYS HA 1 23 LYS QD 3.570 . 5.340 4.021 3.882 4.123 . 0 0 "[ . 1 .]" 1
1288 1 23 LYS HA 1 96 VAL QG 3.935 . 6.070 4.082 3.757 4.304 . 0 0 "[ . 1 .]" 1
1289 1 23 LYS QB 1 23 LYS QE 2.915 . 4.030 2.853 1.870 3.334 . 0 0 "[ . 1 .]" 1
1290 1 23 LYS QB 1 24 GLU H 3.530 . 5.260 2.378 2.166 2.593 . 0 0 "[ . 1 .]" 1
1291 1 23 LYS QB 1 26 ILE MD 4.600 . 7.400 4.498 4.247 4.729 . 0 0 "[ . 1 .]" 1
1292 1 23 LYS QE 1 23 LYS QG 2.675 . 3.550 2.136 1.959 2.525 . 0 0 "[ . 1 .]" 1
1293 1 23 LYS QG 1 96 VAL QG 4.225 . 6.650 2.276 1.865 2.662 . 0 0 "[ . 1 .]" 1
1294 1 23 LYS HG2 1 96 VAL MG1 5.060 . 8.320 2.732 2.005 3.356 . 0 0 "[ . 1 .]" 1
1295 1 23 LYS HG3 1 96 VAL MG1 5.060 . 8.320 2.619 1.945 3.228 . 0 0 "[ . 1 .]" 1
1296 1 23 LYS QD 1 96 VAL QG 4.600 . 7.400 2.743 1.888 3.397 . 0 0 "[ . 1 .]" 1
1297 1 23 LYS HD2 1 96 VAL MG1 5.430 . 9.060 3.344 1.909 4.617 . 0 0 "[ . 1 .]" 1
1298 1 23 LYS HD3 1 96 VAL MG1 5.430 . 9.060 3.483 2.233 4.737 . 0 0 "[ . 1 .]" 1
1299 1 24 GLU H 1 24 GLU QG 3.045 . 4.290 3.031 2.441 3.647 . 0 0 "[ . 1 .]" 1
1300 1 24 GLU HA 1 24 GLU QG 2.660 . 3.520 2.270 2.066 2.495 . 0 0 "[ . 1 .]" 1
1301 1 25 SER QB 1 27 ASP H 3.515 . 5.230 4.654 4.545 4.699 . 0 0 "[ . 1 .]" 1
1302 1 26 ILE QG 1 30 LEU QD 4.330 . 6.860 2.363 2.030 2.571 . 0 0 "[ . 1 .]" 1
1303 1 26 ILE QG 1 96 VAL QG 5.380 . 8.960 5.212 4.878 5.646 . 0 0 "[ . 1 .]" 1
1304 1 26 ILE MD 1 96 VAL QG 4.560 . 7.320 4.229 3.768 4.451 . 0 0 "[ . 1 .]" 1
1305 1 26 ILE MD 1 107 CYS QB 2.915 . 4.030 2.576 2.078 2.910 . 0 0 "[ . 1 .]" 1
1306 1 28 ALA HA 1 31 GLN QG 3.730 . 5.660 5.070 5.052 5.093 . 0 0 "[ . 1 .]" 1
1307 1 29 VAL HA 1 30 LEU QD 4.765 . 7.730 3.691 3.620 3.814 . 0 0 "[ . 1 .]" 1
1308 1 29 VAL HB 1 30 LEU QD 3.770 . 5.740 2.990 2.808 3.192 . 0 0 "[ . 1 .]" 1
1309 1 29 VAL MG2 1 30 LEU QD 4.425 . 7.050 3.686 3.594 3.811 . 0 0 "[ . 1 .]" 1
1310 1 29 VAL MG2 1 46 SER QB 3.080 . 4.360 1.868 1.787 2.103 0.013 10 0 "[ . 1 .]" 1
1311 1 29 VAL MG2 1 47 CYS QB 3.140 . 4.480 2.887 2.616 3.019 . 0 0 "[ . 1 .]" 1
1312 1 30 LEU HA 1 30 LEU QD 2.885 . 3.970 1.951 1.887 2.047 . 0 0 "[ . 1 .]" 1
1313 1 30 LEU QD 1 33 GLN H 4.950 . 8.100 5.370 5.025 5.646 . 0 0 "[ . 1 .]" 1
1314 1 30 LEU QD 1 43 TRP HA 4.950 . 8.100 3.660 3.397 3.884 . 0 0 "[ . 1 .]" 1
1315 1 31 GLN H 1 31 GLN QG 3.515 . 5.230 3.985 3.963 4.005 . 0 0 "[ . 1 .]" 1
1316 1 31 GLN HA 1 31 GLN QG 2.185 . 2.570 2.268 2.216 2.309 . 0 0 "[ . 1 .]" 1
1317 1 31 GLN HA 1 31 GLN QE 4.085 . 6.370 4.452 3.932 4.788 . 0 0 "[ . 1 .]" 1
1318 1 31 GLN HB2 1 31 GLN QG 2.240 . 2.680 2.360 2.342 2.381 . 0 0 "[ . 1 .]" 1
1319 1 31 GLN HB3 1 31 GLN QG 2.130 . 2.460 2.275 2.258 2.294 . 0 0 "[ . 1 .]" 1
1320 1 32 ASN H 1 32 ASN QD 4.085 . 6.370 3.316 1.971 3.993 . 0 0 "[ . 1 .]" 1
1321 1 32 ASN QB 1 33 GLN H 3.070 . 4.340 3.439 3.184 3.673 . 0 0 "[ . 1 .]" 1
1322 1 32 ASN QD 1 43 TRP HE1 3.570 . 5.340 3.924 3.066 4.271 . 0 0 "[ . 1 .]" 1
1323 1 33 GLN H 1 33 GLN QE 4.085 . 6.370 4.995 4.562 5.385 . 0 0 "[ . 1 .]" 1
1324 1 34 GLN H 1 34 GLN QE 4.085 . 6.370 5.152 4.684 5.668 . 0 0 "[ . 1 .]" 1
1325 1 34 GLN HA 1 34 GLN QG 2.790 . 3.780 2.238 2.108 2.720 . 0 0 "[ . 1 .]" 1
1326 1 34 GLN HB2 1 34 GLN QG 2.245 . 2.690 2.356 2.136 2.508 . 0 0 "[ . 1 .]" 1
1327 1 36 SER QB 1 38 ALA MB 4.010 . 6.220 3.054 2.882 3.242 . 0 0 "[ . 1 .]" 1
1328 1 36 SER QB 1 39 LYS QB 3.545 . 5.290 2.116 1.837 2.473 . 0 0 "[ . 1 .]" 1
1329 1 36 SER QB 1 39 LYS QD 3.830 . 5.860 3.357 3.021 3.728 . 0 0 "[ . 1 .]" 1
1330 1 36 SER HB3 1 39 LYS HD3 4.525 . 7.250 3.732 3.244 4.219 . 0 0 "[ . 1 .]" 1
1331 1 36 SER QB 1 39 LYS QE 3.435 . 5.070 1.965 1.716 2.282 0.084 9 0 "[ . 1 .]" 1
1332 1 37 GLU HA 1 37 GLU QG 2.725 . 3.650 2.428 2.384 2.558 . 0 0 "[ . 1 .]" 1
1333 1 37 GLU QG 1 38 ALA HA 3.220 . 4.640 3.875 3.842 3.911 . 0 0 "[ . 1 .]" 1
1334 1 37 GLU QG 1 40 VAL MG2 3.860 . 5.920 3.360 2.369 3.613 . 0 0 "[ . 1 .]" 1
1335 1 38 ALA MB 1 39 LYS QE 3.760 . 5.720 2.875 2.551 3.326 . 0 0 "[ . 1 .]" 1
1336 1 39 LYS H 1 39 LYS QG 3.505 . 5.210 3.846 3.723 4.017 . 0 0 "[ . 1 .]" 1
1337 1 39 LYS HA 1 39 LYS QD 2.870 . 3.940 2.484 2.166 2.961 . 0 0 "[ . 1 .]" 1
1338 1 39 LYS HA 1 39 LYS QE 3.180 . 4.560 3.950 3.755 4.120 . 0 0 "[ . 1 .]" 1
1339 1 39 LYS HA 1 42 GLN QG 3.200 . 4.600 3.391 2.583 4.060 . 0 0 "[ . 1 .]" 1
1340 1 39 LYS QB 1 39 LYS QE 3.040 . 4.280 2.201 1.928 2.466 . 0 0 "[ . 1 .]" 1
1341 1 39 LYS QB 1 40 VAL H 3.560 . 5.320 3.128 3.058 3.177 . 0 0 "[ . 1 .]" 1
1342 1 39 LYS QG 1 42 GLN HB2 3.095 . 4.390 2.918 2.650 3.459 . 0 0 "[ . 1 .]" 1
1343 1 39 LYS QG 1 42 GLN HB3 3.560 . 5.320 3.670 3.270 3.973 . 0 0 "[ . 1 .]" 1
1344 1 39 LYS QD 1 42 GLN HB2 3.175 . 4.550 3.532 2.993 4.134 . 0 0 "[ . 1 .]" 1
1345 1 39 LYS QD 1 42 GLN HB3 3.670 . 5.540 4.366 3.479 5.017 . 0 0 "[ . 1 .]" 1
1346 1 41 SER H 1 41 SER QB 2.705 . 3.610 2.561 2.384 2.807 . 0 0 "[ . 1 .]" 1
1347 1 41 SER HA 1 42 GLN QE 4.085 . 6.370 5.113 4.271 5.796 . 0 0 "[ . 1 .]" 1
1348 1 42 GLN HA 1 45 SER QB 2.730 . 3.660 2.448 2.017 2.696 . 0 0 "[ . 1 .]" 1
1349 1 42 GLN HB3 1 45 SER QB 3.390 . 4.980 4.258 3.931 4.424 . 0 0 "[ . 1 .]" 1
1350 1 44 THR HA 1 47 CYS QB 2.700 . 3.600 2.043 1.870 2.266 . 0 0 "[ . 1 .]" 1
1351 1 44 THR MG 1 47 CYS QB 3.960 . 6.120 4.204 4.068 4.356 . 0 0 "[ . 1 .]" 1
1352 1 45 SER H 1 45 SER QB 2.605 . 3.410 2.189 2.089 2.336 . 0 0 "[ . 1 .]" 1
1353 1 45 SER QB 1 46 SER H 2.940 . 4.080 3.053 2.709 3.405 . 0 0 "[ . 1 .]" 1
1354 1 45 SER QB 1 48 LEU MD2 3.625 . 5.450 3.913 3.824 4.026 . 0 0 "[ . 1 .]" 1
1355 1 47 CYS QB 1 48 LEU H 3.035 . 4.270 2.603 2.499 2.726 . 0 0 "[ . 1 .]" 1
1356 1 47 CYS QB 1 48 LEU MD1 3.340 . 4.880 2.894 2.781 3.127 . 0 0 "[ . 1 .]" 1
1357 1 48 LEU HA 1 51 CYS QB 2.460 . 3.120 2.402 2.013 2.581 . 0 0 "[ . 1 .]" 1
1358 1 48 LEU HA 1 66 VAL QG 4.590 . 7.380 2.191 1.914 2.579 . 0 0 "[ . 1 .]" 1
1359 1 48 LEU MD1 1 51 CYS QB 3.010 . 4.220 3.080 3.018 3.136 . 0 0 "[ . 1 .]" 1
1360 1 48 LEU MD1 1 66 VAL QG 4.220 . 6.640 1.804 1.698 2.035 0.102 12 0 "[ . 1 .]" 1
1361 1 48 LEU MD2 1 66 VAL QG 5.460 . 9.120 3.712 3.404 3.972 . 0 0 "[ . 1 .]" 1
1362 1 48 LEU MD2 1 68 CYS QB 3.430 . 5.060 3.090 2.625 3.650 . 0 0 "[ . 1 .]" 1
1363 1 49 GLU HA 1 49 GLU QG 2.605 . 3.410 2.307 2.261 2.376 . 0 0 "[ . 1 .]" 1
1364 1 49 GLU QG 1 50 HIS H 3.575 . 5.350 4.073 3.910 4.178 . 0 0 "[ . 1 .]" 1
1365 1 49 GLU QG 1 52 ILE MD 4.025 . 6.250 4.263 3.631 4.543 . 0 0 "[ . 1 .]" 1
1366 1 49 GLU QG 1 53 LYS QD 3.215 . 4.630 2.208 1.865 3.124 . 0 0 "[ . 1 .]" 1
1367 1 49 GLU QG 1 53 LYS QE 3.455 . 5.110 3.626 3.396 4.165 . 0 0 "[ . 1 .]" 1
1368 1 51 CYS H 1 51 CYS QB 2.860 . 3.920 2.411 2.270 2.466 . 0 0 "[ . 1 .]" 1
1369 1 51 CYS HA 1 54 ARG QB 2.930 . 4.060 2.795 2.344 3.050 . 0 0 "[ . 1 .]" 1
1370 1 51 CYS QB 1 66 VAL QG 3.460 . 5.120 1.810 1.680 1.895 0.120 2 0 "[ . 1 .]" 1
1371 1 51 CYS HB2 1 66 VAL MG2 4.315 . 6.830 3.859 3.374 4.361 . 0 0 "[ . 1 .]" 1
1372 1 51 CYS HB3 1 66 VAL MG2 4.315 . 6.830 2.453 1.939 3.204 . 0 0 "[ . 1 .]" 1
1373 1 51 CYS QB 1 109 VAL QG 3.820 . 5.840 3.783 3.510 3.898 . 0 0 "[ . 1 .]" 1
1374 1 51 CYS HB2 1 109 VAL MG2 4.640 . 7.480 5.184 4.342 5.529 . 0 0 "[ . 1 .]" 1
1375 1 51 CYS HB3 1 109 VAL MG2 4.640 . 7.480 5.118 4.093 5.431 . 0 0 "[ . 1 .]" 1
1376 1 53 LYS HA 1 53 LYS QG 2.795 . 3.790 2.595 2.513 2.747 . 0 0 "[ . 1 .]" 1
1377 1 53 LYS HA 1 53 LYS QD 3.150 . 4.500 2.742 2.413 2.952 . 0 0 "[ . 1 .]" 1
1378 1 53 LYS QB 1 53 LYS QE 3.320 . 4.840 3.373 3.134 3.890 . 0 0 "[ . 1 .]" 1
1379 1 53 LYS QB 1 54 ARG H 2.845 . 3.890 2.815 2.708 2.988 . 0 0 "[ . 1 .]" 1
1380 1 54 ARG H 1 54 ARG QG 3.455 . 5.110 3.684 3.106 4.057 . 0 0 "[ . 1 .]" 1
1381 1 54 ARG HA 1 54 ARG QD 2.830 . 3.860 2.624 2.177 3.215 . 0 0 "[ . 1 .]" 1
1382 1 54 ARG QB 1 55 LEU H 3.120 . 4.440 2.565 2.360 2.834 . 0 0 "[ . 1 .]" 1
1383 1 55 LEU H 1 58 LEU QD 4.950 . 8.100 4.815 4.214 5.144 . 0 0 "[ . 1 .]" 1
1384 1 55 LEU HA 1 58 LEU QD 3.680 . 5.560 3.551 2.914 4.083 . 0 0 "[ . 1 .]" 1
1385 1 55 LEU MD1 1 109 VAL QG 3.795 . 5.790 2.319 1.875 2.831 . 0 0 "[ . 1 .]" 1
1386 1 55 LEU MD2 1 109 VAL QG 4.155 . 6.510 3.030 2.049 3.891 . 0 0 "[ . 1 .]" 1
1387 1 56 THR H 1 58 LEU QD 4.715 . 7.630 5.325 4.901 5.533 . 0 0 "[ . 1 .]" 1
1388 1 57 ALA H 1 58 LEU QD 4.625 . 7.450 4.367 3.764 5.008 . 0 0 "[ . 1 .]" 1
1389 1 58 LEU H 1 58 LEU QD 3.700 . 5.600 2.799 2.194 3.496 . 0 0 "[ . 1 .]" 1
1390 1 58 LEU HA 1 59 ASN QD 4.085 . 6.370 3.912 3.100 5.015 . 0 0 "[ . 1 .]" 1
1391 1 60 LYS HA 1 61 PRO QB 3.015 . 4.230 3.823 3.699 3.980 . 0 0 "[ . 1 .]" 1
1392 1 63 LYS H 1 112 LEU QD 4.950 . 8.100 5.348 4.699 5.813 . 0 0 "[ . 1 .]" 1
1393 1 64 TYR H 1 66 VAL QG 4.945 . 8.090 5.344 5.105 5.570 . 0 0 "[ . 1 .]" 1
1394 1 64 TYR HA 1 66 VAL QG 4.835 . 7.870 4.766 4.244 5.131 . 0 0 "[ . 1 .]" 1
1395 1 64 TYR HA 1 109 VAL QG 4.945 . 8.090 4.550 4.235 5.013 . 0 0 "[ . 1 .]" 1
1396 1 64 TYR HA 1 112 LEU QD 4.950 . 8.100 3.501 2.765 4.091 . 0 0 "[ . 1 .]" 1
1397 1 65 VAL H 1 112 LEU QD 4.950 . 8.100 3.189 2.858 3.429 . 0 0 "[ . 1 .]" 1
1398 1 66 VAL QG 1 68 CYS H 4.945 . 8.090 4.913 4.597 5.282 . 0 0 "[ . 1 .]" 1
1399 1 66 VAL QG 1 109 VAL QG 3.835 . 5.870 1.942 1.656 2.216 0.144 10 0 "[ . 1 .]" 1
1400 1 67 THR MG 1 109 VAL QG 4.855 . 7.910 4.552 4.072 4.789 . 0 0 "[ . 1 .]" 1
1401 1 68 CYS QB 1 107 CYS QB 3.410 . 5.020 2.761 2.240 3.633 . 0 0 "[ . 1 .]" 1
1402 1 71 MET HA 1 71 MET QG 2.920 . 4.040 2.262 2.056 2.859 . 0 0 "[ . 1 .]" 1
1403 1 76 ALA MB 1 78 LEU QD 5.460 . 9.120 4.403 3.819 5.113 . 0 0 "[ . 1 .]" 1
1404 1 78 LEU QD 1 80 THR MG 4.980 . 8.160 4.156 3.705 4.800 . 0 0 "[ . 1 .]" 1
1405 1 84 CYS HA 1 84 CYS QB 2.215 . 2.630 2.321 2.176 2.534 . 0 0 "[ . 1 .]" 1
1406 1 94 ARG HA 1 94 ARG QD 3.460 . 5.120 2.839 1.977 4.014 . 0 0 "[ . 1 .]" 1
1407 1 95 THR HA 1 109 VAL QG 4.725 . 7.650 4.380 4.149 5.148 . 0 0 "[ . 1 .]" 1
1408 1 96 VAL QG 1 97 ARG H 3.880 . 5.960 2.544 2.127 2.946 . 0 0 "[ . 1 .]" 1
1409 1 96 VAL QG 1 98 TRP QB 4.665 . 7.530 3.945 3.298 4.577 . 0 0 "[ . 1 .]" 1
1410 1 96 VAL MG1 1 98 TRP HB2 5.490 . 9.180 4.261 3.397 4.963 . 0 0 "[ . 1 .]" 1
1411 1 96 VAL MG1 1 98 TRP HB3 5.490 . 9.180 5.177 3.383 5.920 . 0 0 "[ . 1 .]" 1
1412 1 96 VAL QG 1 107 CYS QB 4.380 . 6.960 3.848 3.409 4.354 . 0 0 "[ . 1 .]" 1
1413 1 96 VAL MG1 1 107 CYS HB2 5.245 . 8.690 5.176 4.131 5.867 . 0 0 "[ . 1 .]" 1
1414 1 96 VAL MG1 1 107 CYS HB3 5.245 . 8.690 5.148 4.288 5.919 . 0 0 "[ . 1 .]" 1
1415 1 96 VAL QG 1 109 VAL QG 4.935 . 8.070 3.249 2.991 3.665 . 0 0 "[ . 1 .]" 1
1416 1 96 VAL MG1 1 109 VAL MG2 6.240 . 10.680 5.203 5.007 5.451 . 0 0 "[ . 1 .]" 1
1417 1 98 TRP QB 1 99 GLU H 3.365 . 4.930 3.186 2.694 3.575 . 0 0 "[ . 1 .]" 1
1418 1 100 ASN QB 1 102 SER H 3.685 . 5.570 4.356 3.920 4.956 . 0 0 "[ . 1 .]" 1
1419 1 101 LYS QB 1 101 LYS QE 3.235 . 4.670 2.471 1.931 3.582 . 0 0 "[ . 1 .]" 1
1420 1 101 LYS QE 1 101 LYS QG 2.765 . 3.730 2.139 1.963 2.491 . 0 0 "[ . 1 .]" 1
1421 1 101 LYS QD 1 102 SER HA 3.450 . 5.100 3.570 2.647 4.285 . 0 0 "[ . 1 .]" 1
1422 1 101 LYS QD 1 102 SER QB 3.470 . 5.140 2.032 1.918 2.532 . 0 0 "[ . 1 .]" 1
1423 1 101 LYS QE 1 102 SER QB 3.490 . 5.180 3.293 2.439 4.020 . 0 0 "[ . 1 .]" 1
1424 1 107 CYS QB 1 108 THR H 2.955 . 4.110 3.515 3.284 3.796 . 0 0 "[ . 1 .]" 1
1425 1 110 PHE HA 1 112 LEU QD 4.670 . 7.540 3.193 3.058 3.413 . 0 0 "[ . 1 .]" 1
1426 1 112 LEU H 1 112 LEU QD 3.925 . 6.050 2.207 1.976 2.355 . 0 0 "[ . 1 .]" 1
1427 1 112 LEU HA 1 112 LEU QD 3.085 . 4.370 2.180 2.040 2.304 . 0 0 "[ . 1 .]" 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 1427
_Distance_constraint_stats_list.Viol_count 995
_Distance_constraint_stats_list.Viol_total 866.729
_Distance_constraint_stats_list.Viol_max 0.384
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_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
2 2 GLU 0.002 0.002 8 0 "[ . 1 .]"
2 3 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 4 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 5 ASP 0.000 0.000 . 0 "[ . 1 .]"
2 6 PRO 0.000 0.000 . 0 "[ . 1 .]"
2 7 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 8 VAL 0.942 0.149 10 0 "[ . 1 .]"
2 9 GLU 0.905 0.141 8 0 "[ . 1 .]"
2 10 GLU 0.061 0.034 1 0 "[ . 1 .]"
2 11 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 12 ALA 0.402 0.075 5 0 "[ . 1 .]"
2 13 PHE 0.000 0.000 . 0 "[ . 1 .]"
2 14 VAL 0.210 0.040 12 0 "[ . 1 .]"
2 15 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 16 ASP 0.000 0.000 . 0 "[ . 1 .]"
2 17 ASP 0.000 0.000 . 0 "[ . 1 .]"
2 18 VAL 1.745 0.157 13 0 "[ . 1 .]"
2 19 SER 0.000 0.000 . 0 "[ . 1 .]"
2 20 ASN 0.492 0.083 11 0 "[ . 1 .]"
2 21 ILE 2.459 0.124 4 0 "[ . 1 .]"
2 22 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 23 LYS 5.056 0.305 4 0 "[ . 1 .]"
2 24 GLU 4.513 0.305 4 0 "[ . 1 .]"
2 25 SER 0.415 0.085 15 0 "[ . 1 .]"
2 26 ILE 0.455 0.110 6 0 "[ . 1 .]"
2 27 ASP 3.384 0.222 11 0 "[ . 1 .]"
2 28 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 29 VAL 0.919 0.105 11 0 "[ . 1 .]"
2 30 LEU 0.888 0.105 11 0 "[ . 1 .]"
2 31 GLN 3.619 0.174 12 0 "[ . 1 .]"
2 32 ASN 0.345 0.081 6 0 "[ . 1 .]"
2 33 GLN 0.284 0.087 3 0 "[ . 1 .]"
2 34 GLN 0.007 0.007 7 0 "[ . 1 .]"
2 35 TYR 0.007 0.007 7 0 "[ . 1 .]"
2 36 SER 2.541 0.384 14 0 "[ . 1 .]"
2 37 GLU 0.460 0.209 7 0 "[ . 1 .]"
2 38 ALA 0.714 0.115 8 0 "[ . 1 .]"
2 39 LYS 3.460 0.120 2 0 "[ . 1 .]"
2 40 VAL 1.904 0.209 7 0 "[ . 1 .]"
2 41 SER 1.774 0.156 7 0 "[ . 1 .]"
2 42 GLN 4.802 0.179 1 0 "[ . 1 .]"
2 43 TRP 6.349 0.384 14 0 "[ . 1 .]"
2 44 THR 3.390 0.179 1 0 "[ . 1 .]"
2 45 SER 2.085 0.106 7 0 "[ . 1 .]"
2 46 SER 3.026 0.181 11 0 "[ . 1 .]"
2 47 CYS 0.256 0.053 10 0 "[ . 1 .]"
2 48 LEU 0.944 0.102 12 0 "[ . 1 .]"
2 49 GLU 3.610 0.181 11 0 "[ . 1 .]"
2 50 HIS 2.554 0.124 5 0 "[ . 1 .]"
2 51 CYS 0.307 0.121 2 0 "[ . 1 .]"
2 52 ILE 0.463 0.103 5 0 "[ . 1 .]"
2 53 LYS 3.634 0.152 2 0 "[ . 1 .]"
2 54 ARG 1.152 0.093 2 0 "[ . 1 .]"
2 55 LEU 0.954 0.126 12 0 "[ . 1 .]"
2 56 THR 0.059 0.033 9 0 "[ . 1 .]"
2 57 ALA 0.050 0.050 5 0 "[ . 1 .]"
2 58 LEU 1.809 0.150 15 0 "[ . 1 .]"
2 59 ASN 0.229 0.066 15 0 "[ . 1 .]"
2 60 LYS 1.896 0.142 11 0 "[ . 1 .]"
2 61 PRO 2.041 0.174 15 0 "[ . 1 .]"
2 62 PHE 0.144 0.071 14 0 "[ . 1 .]"
2 63 LYS 0.082 0.040 6 0 "[ . 1 .]"
2 64 TYR 0.000 0.000 . 0 "[ . 1 .]"
2 65 VAL 0.307 0.247 15 0 "[ . 1 .]"
2 66 VAL 0.906 0.144 10 0 "[ . 1 .]"
2 67 THR 1.931 0.153 2 0 "[ . 1 .]"
2 68 CYS 0.438 0.190 11 0 "[ . 1 .]"
2 69 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 70 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 71 MET 0.040 0.040 11 0 "[ . 1 .]"
2 72 GLN 0.040 0.040 11 0 "[ . 1 .]"
2 73 LYS 0.191 0.053 12 0 "[ . 1 .]"
2 74 ASN 0.401 0.242 3 0 "[ . 1 .]"
2 75 GLY 0.103 0.053 12 0 "[ . 1 .]"
2 76 ALA 0.362 0.242 3 0 "[ . 1 .]"
2 77 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 78 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 79 HIS 0.000 0.000 . 0 "[ . 1 .]"
2 80 THR 0.000 0.000 . 0 "[ . 1 .]"
2 81 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 82 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 83 SER 0.000 0.000 . 0 "[ . 1 .]"
2 84 CYS 1.595 0.165 10 0 "[ . 1 .]"
2 85 TRP 0.000 0.000 . 0 "[ . 1 .]"
2 86 TRP 0.150 0.039 4 0 "[ . 1 .]"
2 87 ASP 0.046 0.029 11 0 "[ . 1 .]"
2 88 SER 0.073 0.056 13 0 "[ . 1 .]"
2 89 THR 0.085 0.042 4 0 "[ . 1 .]"
2 90 THR 0.085 0.056 13 0 "[ . 1 .]"
2 91 ASP 1.849 0.320 6 0 "[ . 1 .]"
2 92 GLY 0.154 0.056 14 0 "[ . 1 .]"
2 93 SER 0.647 0.110 10 0 "[ . 1 .]"
2 94 ARG 0.359 0.063 9 0 "[ . 1 .]"
2 95 THR 0.415 0.075 5 0 "[ . 1 .]"
2 96 VAL 0.441 0.056 14 0 "[ . 1 .]"
2 97 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 98 TRP 5.442 0.222 11 0 "[ . 1 .]"
2 99 GLU 0.670 0.097 13 0 "[ . 1 .]"
2 100 ASN 0.516 0.104 2 0 "[ . 1 .]"
2 101 LYS 0.821 0.116 1 0 "[ . 1 .]"
2 102 SER 0.641 0.091 7 0 "[ . 1 .]"
2 103 MET 0.370 0.042 14 0 "[ . 1 .]"
2 104 TYR 0.635 0.104 2 0 "[ . 1 .]"
2 105 CYS 0.000 0.000 . 0 "[ . 1 .]"
2 106 ILE 0.311 0.056 14 0 "[ . 1 .]"
2 107 CYS 0.609 0.190 11 0 "[ . 1 .]"
2 108 THR 2.282 0.153 2 0 "[ . 1 .]"
2 109 VAL 1.262 0.157 13 0 "[ . 1 .]"
2 110 PHE 0.307 0.247 15 0 "[ . 1 .]"
2 111 GLY 0.388 0.056 10 0 "[ . 1 .]"
2 112 LEU 0.742 0.133 4 0 "[ . 1 .]"
2 113 ALA 1.024 0.320 6 0 "[ . 1 .]"
2 114 ILE 0.813 0.174 15 0 "[ . 1 .]"
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 2 10 GLU HA 2 11 ALA H 2.580 . 3.360 2.174 2.127 2.319 . 0 0 "[ . 1 .]" 2
2 2 95 THR H 2 95 THR HB 2.720 . 3.640 2.664 2.462 2.866 . 0 0 "[ . 1 .]" 2
3 2 41 SER H 2 41 SER HB3 2.795 . 3.790 3.233 2.693 3.729 . 0 0 "[ . 1 .]" 2
4 2 42 GLN H 2 42 GLN HB3 2.830 . 3.860 3.550 3.413 3.608 . 0 0 "[ . 1 .]" 2
5 2 45 SER H 2 45 SER HB3 2.690 . 3.580 2.749 2.199 3.334 . 0 0 "[ . 1 .]" 2
6 2 47 CYS H 2 47 CYS HB3 2.860 . 3.920 2.507 2.075 3.233 . 0 0 "[ . 1 .]" 2
7 2 48 LEU H 2 48 LEU HB3 2.640 . 3.480 3.415 3.385 3.461 . 0 0 "[ . 1 .]" 2
8 2 50 HIS H 2 50 HIS HB2 2.815 . 3.830 2.327 2.287 2.394 . 0 0 "[ . 1 .]" 2
9 2 51 CYS H 2 51 CYS HB3 2.970 . 4.140 2.728 2.454 3.487 . 0 0 "[ . 1 .]" 2
10 2 56 THR H 2 56 THR HB 2.890 . 3.980 3.593 3.570 3.616 . 0 0 "[ . 1 .]" 2
11 2 58 LEU H 2 58 LEU HB3 2.535 . 3.270 3.370 3.360 3.420 0.150 15 0 "[ . 1 .]" 2
12 2 99 GLU H 2 99 GLU HB2 2.845 . 3.890 2.840 2.655 3.024 . 0 0 "[ . 1 .]" 2
13 2 29 VAL H 2 29 VAL HB 2.690 . 3.580 2.055 2.015 2.092 . 0 0 "[ . 1 .]" 2
14 2 27 ASP H 2 28 ALA H 2.890 . 3.980 2.741 2.657 2.772 . 0 0 "[ . 1 .]" 2
15 2 28 ALA H 2 29 VAL H 2.625 . 3.450 2.341 2.304 2.380 . 0 0 "[ . 1 .]" 2
16 2 29 VAL H 2 30 LEU H 3.110 . 4.420 2.656 2.588 2.714 . 0 0 "[ . 1 .]" 2
17 2 30 LEU H 2 31 GLN H 3.060 . 4.320 1.973 1.949 1.994 . 0 0 "[ . 1 .]" 2
18 2 29 VAL H 2 31 GLN H 3.260 . 4.720 4.161 4.046 4.273 . 0 0 "[ . 1 .]" 2
19 2 35 TYR H 2 36 SER H 3.540 . 5.280 4.381 4.332 4.445 . 0 0 "[ . 1 .]" 2
20 2 42 GLN H 2 43 TRP H 2.580 . 3.360 2.530 2.443 2.650 . 0 0 "[ . 1 .]" 2
21 2 43 TRP H 2 44 THR H 2.795 . 3.790 2.891 2.733 3.056 . 0 0 "[ . 1 .]" 2
22 2 44 THR H 2 45 SER H 2.795 . 3.790 2.734 2.697 2.761 . 0 0 "[ . 1 .]" 2
23 2 45 SER H 2 46 SER H 2.705 . 3.610 2.397 2.359 2.453 . 0 0 "[ . 1 .]" 2
24 2 46 SER H 2 47 CYS H 2.765 . 3.730 2.475 2.398 2.530 . 0 0 "[ . 1 .]" 2
25 2 45 SER H 2 47 CYS H 3.245 . 4.690 3.665 3.588 3.786 . 0 0 "[ . 1 .]" 2
26 2 48 LEU H 2 49 GLU H 2.890 . 3.980 2.630 2.568 2.703 . 0 0 "[ . 1 .]" 2
27 2 49 GLU H 2 50 HIS H 2.830 . 3.860 2.341 2.317 2.365 . 0 0 "[ . 1 .]" 2
28 2 50 HIS H 2 51 CYS H 2.985 . 4.170 2.537 2.505 2.611 . 0 0 "[ . 1 .]" 2
29 2 49 GLU H 2 51 CYS H 3.340 . 4.880 3.697 3.640 3.740 . 0 0 "[ . 1 .]" 2
30 2 51 CYS H 2 52 ILE H 2.935 . 4.070 1.996 1.913 2.147 . 0 0 "[ . 1 .]" 2
31 2 52 ILE H 2 53 LYS H 2.860 . 3.920 2.659 2.522 2.783 . 0 0 "[ . 1 .]" 2
32 2 53 LYS H 2 54 ARG H 2.845 . 3.890 2.611 2.420 2.715 . 0 0 "[ . 1 .]" 2
33 2 54 ARG H 2 55 LEU H 2.985 . 4.170 2.504 2.361 2.674 . 0 0 "[ . 1 .]" 2
34 2 55 LEU H 2 56 THR H 2.795 . 3.790 2.665 2.502 2.753 . 0 0 "[ . 1 .]" 2
35 2 56 THR H 2 57 ALA H 2.720 . 3.640 2.443 2.363 2.592 . 0 0 "[ . 1 .]" 2
36 2 57 ALA H 2 58 LEU H 2.795 . 3.790 2.536 2.427 2.592 . 0 0 "[ . 1 .]" 2
37 2 58 LEU H 2 59 ASN H 2.920 . 4.040 2.377 2.148 2.847 . 0 0 "[ . 1 .]" 2
38 2 89 THR H 2 90 THR H 3.110 . 4.420 2.481 2.104 2.714 . 0 0 "[ . 1 .]" 2
39 2 102 SER H 2 103 MET H 2.720 . 3.640 2.256 1.973 3.682 0.042 10 0 "[ . 1 .]" 2
40 2 18 VAL H 2 19 SER H 3.280 . 4.760 2.400 2.339 2.513 . 0 0 "[ . 1 .]" 2
41 2 19 SER H 2 20 ASN H 3.125 . 4.450 2.756 2.653 2.844 . 0 0 "[ . 1 .]" 2
42 2 18 VAL H 2 20 ASN H 3.605 . 5.410 4.252 4.185 4.318 . 0 0 "[ . 1 .]" 2
43 2 23 LYS H 2 24 GLU H 3.110 . 4.420 2.771 2.689 2.905 . 0 0 "[ . 1 .]" 2
44 2 24 GLU H 2 25 SER H 2.765 . 3.730 2.691 2.585 2.751 . 0 0 "[ . 1 .]" 2
45 2 25 SER H 2 26 ILE H 2.610 . 3.420 2.691 2.593 2.762 . 0 0 "[ . 1 .]" 2
46 2 25 SER H 2 27 ASP H 2.935 . 4.070 4.073 3.914 4.155 0.085 15 0 "[ . 1 .]" 2
47 2 28 ALA H 2 30 LEU H 3.295 . 4.790 3.694 3.660 3.794 . 0 0 "[ . 1 .]" 2
48 2 27 ASP H 2 29 VAL H 3.370 . 4.940 4.175 4.047 4.247 . 0 0 "[ . 1 .]" 2
49 2 26 ILE H 2 28 ALA H 3.605 . 5.410 4.110 4.078 4.139 . 0 0 "[ . 1 .]" 2
50 2 31 GLN H 2 32 ASN H 3.170 . 4.540 2.424 2.351 2.537 . 0 0 "[ . 1 .]" 2
51 2 32 ASN H 2 33 GLN H 2.875 . 3.950 2.951 2.814 3.061 . 0 0 "[ . 1 .]" 2
52 2 31 GLN H 2 33 GLN H 3.230 . 4.660 4.614 4.367 4.747 0.087 3 0 "[ . 1 .]" 2
53 2 38 ALA H 2 39 LYS H 2.970 . 4.140 2.611 2.496 2.679 . 0 0 "[ . 1 .]" 2
54 2 39 LYS H 2 40 VAL H 2.595 . 3.390 2.168 1.951 2.254 . 0 0 "[ . 1 .]" 2
55 2 40 VAL H 2 41 SER H 3.075 . 4.350 2.827 2.809 2.848 . 0 0 "[ . 1 .]" 2
56 2 39 LYS H 2 41 SER H 3.450 . 5.100 4.269 4.163 4.401 . 0 0 "[ . 1 .]" 2
57 2 41 SER H 2 42 GLN H 2.750 . 3.700 2.054 1.976 2.173 . 0 0 "[ . 1 .]" 2
58 2 40 VAL H 2 42 GLN H 3.370 . 4.940 4.134 4.020 4.289 . 0 0 "[ . 1 .]" 2
59 2 42 GLN H 2 44 THR H 3.200 . 4.600 4.573 4.384 4.725 0.125 1 0 "[ . 1 .]" 2
60 2 43 TRP H 2 45 SER H 3.325 . 4.850 3.877 3.814 3.935 . 0 0 "[ . 1 .]" 2
61 2 47 CYS H 2 48 LEU H 2.955 . 4.110 2.527 2.459 2.610 . 0 0 "[ . 1 .]" 2
62 2 46 SER H 2 48 LEU H 3.420 . 5.040 3.952 3.894 4.065 . 0 0 "[ . 1 .]" 2
63 2 48 LEU H 2 50 HIS H 3.215 . 4.630 3.861 3.805 3.914 . 0 0 "[ . 1 .]" 2
64 2 50 HIS H 2 52 ILE H 3.015 . 4.230 4.216 4.120 4.333 0.103 5 0 "[ . 1 .]" 2
65 2 51 CYS H 2 53 LYS H 3.110 . 4.420 3.306 3.053 3.480 . 0 0 "[ . 1 .]" 2
66 2 52 ILE H 2 54 ARG H 3.420 . 5.040 4.000 3.927 4.067 . 0 0 "[ . 1 .]" 2
67 2 53 LYS H 2 55 LEU H 3.495 . 5.190 4.212 3.989 4.358 . 0 0 "[ . 1 .]" 2
68 2 54 ARG H 2 56 THR H 3.400 . 5.000 3.928 3.812 4.101 . 0 0 "[ . 1 .]" 2
69 2 55 LEU H 2 57 ALA H 3.245 . 4.690 3.989 3.683 4.222 . 0 0 "[ . 1 .]" 2
70 2 59 ASN H 2 60 LYS H 3.045 . 4.290 3.284 2.605 3.524 . 0 0 "[ . 1 .]" 2
71 2 58 LEU H 2 60 LYS H 3.525 . 5.250 5.182 4.733 5.298 0.048 2 0 "[ . 1 .]" 2
72 2 57 ALA H 2 59 ASN H 3.555 . 5.310 3.796 3.523 4.661 . 0 0 "[ . 1 .]" 2
73 2 80 THR H 2 81 ALA H 3.465 . 5.130 4.530 4.469 4.580 . 0 0 "[ . 1 .]" 2
74 2 85 TRP H 2 86 TRP H 3.540 . 5.280 3.951 2.428 4.620 . 0 0 "[ . 1 .]" 2
75 2 90 THR H 2 91 ASP H 3.260 . 4.720 3.356 2.361 3.949 . 0 0 "[ . 1 .]" 2
76 2 99 GLU H 2 100 ASN H 3.230 . 4.660 4.363 4.222 4.486 . 0 0 "[ . 1 .]" 2
77 2 96 VAL H 2 97 ARG H 3.370 . 4.940 4.258 4.075 4.436 . 0 0 "[ . 1 .]" 2
78 2 95 THR H 2 96 VAL H 3.280 . 4.760 4.577 4.549 4.596 . 0 0 "[ . 1 .]" 2
79 2 107 CYS H 2 108 THR H 3.450 . 5.100 4.222 4.071 4.318 . 0 0 "[ . 1 .]" 2
80 2 29 VAL HB 2 30 LEU H 2.845 . 3.890 3.723 3.596 3.845 . 0 0 "[ . 1 .]" 2
81 2 26 ILE HA 2 28 ALA H 3.420 . 5.040 4.044 4.005 4.122 . 0 0 "[ . 1 .]" 2
82 2 26 ILE HA 2 29 VAL H 3.125 . 4.450 3.168 3.010 3.342 . 0 0 "[ . 1 .]" 2
83 2 26 ILE HA 2 30 LEU H 3.325 . 4.850 3.795 3.618 4.141 . 0 0 "[ . 1 .]" 2
84 2 27 ASP HA 2 29 VAL H 3.650 . 5.500 4.886 4.803 4.955 . 0 0 "[ . 1 .]" 2
85 2 27 ASP HA 2 30 LEU H 3.385 . 4.970 4.134 4.055 4.211 . 0 0 "[ . 1 .]" 2
86 2 27 ASP HA 2 31 GLN H 3.635 . 5.470 3.760 3.588 3.940 . 0 0 "[ . 1 .]" 2
87 2 27 ASP HB2 2 28 ALA H 3.450 . 5.100 3.923 3.759 4.019 . 0 0 "[ . 1 .]" 2
88 2 27 ASP HB3 2 28 ALA H 3.110 . 4.420 2.688 2.647 2.744 . 0 0 "[ . 1 .]" 2
89 2 26 ILE H 2 26 ILE HB 2.705 . 3.610 2.319 2.129 2.454 . 0 0 "[ . 1 .]" 2
90 2 26 ILE HB 2 27 ASP H 2.610 . 3.420 2.794 2.680 3.019 . 0 0 "[ . 1 .]" 2
91 2 17 ASP HB3 2 18 VAL H 3.495 . 5.190 3.041 2.311 3.997 . 0 0 "[ . 1 .]" 2
92 2 17 ASP HB2 2 18 VAL H 3.495 . 5.190 3.300 2.555 3.725 . 0 0 "[ . 1 .]" 2
93 2 18 VAL HB 2 19 SER H 2.705 . 3.610 2.817 2.711 2.851 . 0 0 "[ . 1 .]" 2
94 2 20 ASN HB3 2 21 ILE H 3.045 . 4.290 3.874 3.651 4.231 . 0 0 "[ . 1 .]" 2
95 2 20 ASN HB2 2 21 ILE H 3.045 . 4.290 3.817 3.633 4.183 . 0 0 "[ . 1 .]" 2
96 2 19 SER H 2 19 SER HB2 2.955 . 4.110 2.871 2.168 3.601 . 0 0 "[ . 1 .]" 2
97 2 19 SER H 2 19 SER HB3 2.955 . 4.110 2.711 2.245 3.592 . 0 0 "[ . 1 .]" 2
98 2 19 SER HB3 2 20 ASN H 3.650 . 5.500 3.223 2.552 3.917 . 0 0 "[ . 1 .]" 2
99 2 19 SER HB2 2 20 ASN H 3.650 . 5.500 3.602 2.533 4.062 . 0 0 "[ . 1 .]" 2
100 2 21 ILE H 2 21 ILE HB 2.625 . 3.450 2.507 2.421 2.565 . 0 0 "[ . 1 .]" 2
101 2 21 ILE HB 2 22 ILE H 3.140 . 4.480 2.399 2.290 2.593 . 0 0 "[ . 1 .]" 2
102 2 21 ILE H 2 22 ILE H 2.750 . 3.700 2.899 2.785 2.967 . 0 0 "[ . 1 .]" 2
103 2 22 ILE H 2 23 LYS H 3.170 . 4.540 2.847 2.747 2.884 . 0 0 "[ . 1 .]" 2
104 2 23 LYS HB3 2 24 GLU H 3.650 . 5.500 3.238 2.772 3.475 . 0 0 "[ . 1 .]" 2
105 2 23 LYS HB2 2 24 GLU H 3.650 . 5.500 2.480 2.194 3.120 . 0 0 "[ . 1 .]" 2
106 2 24 GLU H 2 24 GLU HB2 2.580 . 3.360 2.231 2.123 2.429 . 0 0 "[ . 1 .]" 2
107 2 24 GLU H 2 24 GLU HB3 2.935 . 4.070 3.505 3.436 3.589 . 0 0 "[ . 1 .]" 2
108 2 24 GLU HB2 2 25 SER H 3.060 . 4.320 2.932 2.749 3.073 . 0 0 "[ . 1 .]" 2
109 2 24 GLU HB3 2 25 SER H 3.000 . 4.200 3.403 3.271 3.631 . 0 0 "[ . 1 .]" 2
110 2 25 SER HB2 2 26 ILE H 3.015 . 4.230 3.119 2.589 3.818 . 0 0 "[ . 1 .]" 2
111 2 25 SER HB3 2 26 ILE H 3.015 . 4.230 3.014 2.494 3.456 . 0 0 "[ . 1 .]" 2
112 2 24 GLU HA 2 26 ILE H 3.245 . 4.690 4.606 4.434 4.750 0.060 11 0 "[ . 1 .]" 2
113 2 30 LEU HB3 2 31 GLN H 3.540 . 5.280 3.663 3.518 3.779 . 0 0 "[ . 1 .]" 2
114 2 30 LEU HB2 2 31 GLN H 3.555 . 5.310 2.947 2.852 3.040 . 0 0 "[ . 1 .]" 2
115 2 31 GLN H 2 31 GLN HB3 2.550 . 3.300 2.720 2.681 2.789 . 0 0 "[ . 1 .]" 2
116 2 31 GLN H 2 31 GLN HB2 2.535 . 3.270 2.515 2.457 2.568 . 0 0 "[ . 1 .]" 2
117 2 31 GLN HB3 2 32 ASN H 3.650 . 5.500 3.251 3.059 3.353 . 0 0 "[ . 1 .]" 2
118 2 31 GLN HB2 2 32 ASN H 3.650 . 5.500 4.100 4.014 4.142 . 0 0 "[ . 1 .]" 2
119 2 32 ASN HB2 2 33 GLN H 3.170 . 4.540 3.715 3.369 4.159 . 0 0 "[ . 1 .]" 2
120 2 32 ASN HB3 2 33 GLN H 3.170 . 4.540 4.083 3.835 4.243 . 0 0 "[ . 1 .]" 2
121 2 38 ALA HA 2 40 VAL H 3.420 . 5.040 4.222 4.144 4.286 . 0 0 "[ . 1 .]" 2
122 2 38 ALA HA 2 41 SER H 3.310 . 4.820 4.733 4.578 4.909 0.089 7 0 "[ . 1 .]" 2
123 2 38 ALA HA 2 42 GLN H 3.540 . 5.280 5.302 5.171 5.395 0.115 8 0 "[ . 1 .]" 2
124 2 39 LYS HA 2 41 SER H 3.245 . 4.690 3.554 3.484 3.682 . 0 0 "[ . 1 .]" 2
125 2 39 LYS HA 2 42 GLN H 3.090 . 4.380 2.788 2.730 2.826 . 0 0 "[ . 1 .]" 2
126 2 39 LYS HA 2 43 TRP H 3.325 . 4.850 3.206 3.040 3.373 . 0 0 "[ . 1 .]" 2
127 2 40 VAL HA 2 42 GLN H 3.420 . 5.040 4.794 4.672 4.974 . 0 0 "[ . 1 .]" 2
128 2 40 VAL HA 2 43 TRP H 3.230 . 4.660 4.203 4.103 4.304 . 0 0 "[ . 1 .]" 2
129 2 40 VAL HB 2 41 SER H 3.280 . 4.760 3.312 3.135 3.899 . 0 0 "[ . 1 .]" 2
130 2 41 SER H 2 41 SER HB2 2.795 . 3.790 2.865 2.417 3.757 . 0 0 "[ . 1 .]" 2
131 2 41 SER HB2 2 42 GLN H 2.830 . 3.860 3.326 2.553 3.878 0.018 10 0 "[ . 1 .]" 2
132 2 41 SER HB3 2 42 GLN H 2.830 . 3.860 3.517 2.831 3.881 0.021 9 0 "[ . 1 .]" 2
133 2 41 SER HA 2 43 TRP H 3.280 . 4.760 4.159 4.001 4.392 . 0 0 "[ . 1 .]" 2
134 2 42 GLN HB2 2 43 TRP H 2.795 . 3.790 2.917 2.783 3.111 . 0 0 "[ . 1 .]" 2
135 2 42 GLN HB3 2 43 TRP H 2.830 . 3.860 3.660 3.389 3.937 0.077 7 0 "[ . 1 .]" 2
136 2 40 VAL HA 2 44 THR H 3.650 . 5.500 4.947 4.555 5.341 . 0 0 "[ . 1 .]" 2
137 2 41 SER HA 2 44 THR H 3.090 . 4.380 3.756 3.638 3.880 . 0 0 "[ . 1 .]" 2
138 2 41 SER HA 2 45 SER H 3.280 . 4.760 4.819 4.795 4.849 0.089 4 0 "[ . 1 .]" 2
139 2 44 THR HB 2 45 SER H 2.860 . 3.920 3.925 3.787 4.026 0.106 7 0 "[ . 1 .]" 2
140 2 44 THR HA 2 46 SER H 3.090 . 4.380 4.170 4.053 4.312 . 0 0 "[ . 1 .]" 2
141 2 44 THR HA 2 47 CYS H 3.325 . 4.850 2.983 2.893 3.145 . 0 0 "[ . 1 .]" 2
142 2 42 GLN HA 2 44 THR H 3.185 . 4.570 4.690 4.643 4.749 0.179 1 0 "[ . 1 .]" 2
143 2 42 GLN HA 2 45 SER H 3.110 . 4.420 3.357 3.170 3.554 . 0 0 "[ . 1 .]" 2
144 2 42 GLN HA 2 46 SER H 3.140 . 4.480 4.404 4.102 4.570 0.090 15 0 "[ . 1 .]" 2
145 2 45 SER H 2 45 SER HB2 2.690 . 3.580 2.889 2.113 3.595 0.015 1 0 "[ . 1 .]" 2
146 2 45 SER HB2 2 46 SER H 3.170 . 4.540 3.602 3.072 4.065 . 0 0 "[ . 1 .]" 2
147 2 45 SER HB3 2 46 SER H 3.170 . 4.540 3.308 2.914 3.655 . 0 0 "[ . 1 .]" 2
148 2 46 SER HB3 2 47 CYS H 3.650 . 5.500 3.361 3.004 3.504 . 0 0 "[ . 1 .]" 2
149 2 46 SER HB2 2 47 CYS H 3.650 . 5.500 3.047 2.881 3.409 . 0 0 "[ . 1 .]" 2
150 2 45 SER HA 2 47 CYS H 3.510 . 5.220 4.148 4.067 4.376 . 0 0 "[ . 1 .]" 2
151 2 47 CYS H 2 47 CYS HB2 2.860 . 3.920 2.629 2.138 2.978 . 0 0 "[ . 1 .]" 2
152 2 47 CYS HB2 2 48 LEU H 3.155 . 4.510 3.745 3.202 3.997 . 0 0 "[ . 1 .]" 2
153 2 47 CYS HB3 2 48 LEU H 3.155 . 4.510 2.675 2.529 2.953 . 0 0 "[ . 1 .]" 2
154 2 48 LEU H 2 48 LEU HB2 2.920 . 4.040 2.108 2.089 2.154 . 0 0 "[ . 1 .]" 2
155 2 48 LEU HB3 2 49 GLU H 3.185 . 4.570 3.358 3.264 3.425 . 0 0 "[ . 1 .]" 2
156 2 48 LEU HB2 2 49 GLU H 3.170 . 4.540 3.016 2.925 3.084 . 0 0 "[ . 1 .]" 2
157 2 49 GLU HB3 2 50 HIS H 3.045 . 4.290 2.861 2.697 2.922 . 0 0 "[ . 1 .]" 2
158 2 49 GLU HB2 2 50 HIS H 2.845 . 3.890 3.867 3.823 3.902 0.012 5 0 "[ . 1 .]" 2
159 2 48 LEU HA 2 50 HIS H 3.155 . 4.510 4.273 4.222 4.387 . 0 0 "[ . 1 .]" 2
160 2 47 CYS HA 2 50 HIS H 3.245 . 4.690 3.174 2.944 3.317 . 0 0 "[ . 1 .]" 2
161 2 46 SER HA 2 50 HIS H 3.650 . 5.500 3.954 3.781 4.127 . 0 0 "[ . 1 .]" 2
162 2 46 SER HA 2 49 GLU H 3.280 . 4.760 3.122 3.050 3.210 . 0 0 "[ . 1 .]" 2
163 2 47 CYS HA 2 49 GLU H 3.280 . 4.760 4.207 4.042 4.298 . 0 0 "[ . 1 .]" 2
164 2 47 CYS HA 2 51 CYS H 3.340 . 4.880 4.386 4.271 4.463 . 0 0 "[ . 1 .]" 2
165 2 49 GLU HA 2 51 CYS H 3.260 . 4.720 3.564 3.457 3.675 . 0 0 "[ . 1 .]" 2
166 2 48 LEU HA 2 51 CYS H 3.015 . 4.230 3.405 3.303 3.475 . 0 0 "[ . 1 .]" 2
167 2 50 HIS H 2 50 HIS HB3 2.795 . 3.790 3.578 3.558 3.606 . 0 0 "[ . 1 .]" 2
168 2 50 HIS HB3 2 51 CYS H 3.075 . 4.350 4.228 4.146 4.295 . 0 0 "[ . 1 .]" 2
169 2 50 HIS HB2 2 51 CYS H 3.110 . 4.420 3.648 3.574 3.724 . 0 0 "[ . 1 .]" 2
170 2 51 CYS H 2 51 CYS HB2 2.970 . 4.140 2.756 2.300 2.899 . 0 0 "[ . 1 .]" 2
171 2 45 SER HA 2 49 GLU H 3.435 . 5.070 4.437 4.322 4.570 . 0 0 "[ . 1 .]" 2
172 2 45 SER HA 2 48 LEU H 3.015 . 4.230 3.256 3.162 3.440 . 0 0 "[ . 1 .]" 2
173 2 44 THR HA 2 48 LEU H 3.465 . 5.130 4.025 3.914 4.177 . 0 0 "[ . 1 .]" 2
174 2 48 LEU HA 2 52 ILE H 3.325 . 4.850 3.683 3.398 3.886 . 0 0 "[ . 1 .]" 2
175 2 52 ILE H 2 52 ILE HB 2.640 . 3.480 2.480 2.326 2.678 . 0 0 "[ . 1 .]" 2
176 2 51 CYS HB2 2 52 ILE H 2.920 . 4.040 3.518 2.424 3.688 . 0 0 "[ . 1 .]" 2
177 2 51 CYS HB3 2 52 ILE H 2.920 . 4.040 2.448 2.264 2.959 . 0 0 "[ . 1 .]" 2
178 2 52 ILE HB 2 53 LYS H 3.110 . 4.420 3.843 3.749 3.997 . 0 0 "[ . 1 .]" 2
179 2 53 LYS HB3 2 54 ARG H 2.970 . 4.140 3.560 3.380 3.970 . 0 0 "[ . 1 .]" 2
180 2 53 LYS HB2 2 54 ARG H 2.970 . 4.140 2.964 2.772 3.177 . 0 0 "[ . 1 .]" 2
181 2 52 ILE HA 2 54 ARG H 3.480 . 5.160 4.236 4.166 4.392 . 0 0 "[ . 1 .]" 2
182 2 53 LYS HA 2 55 LEU H 3.185 . 4.570 4.558 4.220 4.662 0.092 11 0 "[ . 1 .]" 2
183 2 52 ILE HA 2 55 LEU H 3.280 . 4.760 3.523 3.204 3.942 . 0 0 "[ . 1 .]" 2
184 2 51 CYS HA 2 55 LEU H 3.310 . 4.820 4.127 3.693 4.416 . 0 0 "[ . 1 .]" 2
185 2 54 ARG H 2 54 ARG HB2 2.985 . 4.170 2.276 2.072 2.596 . 0 0 "[ . 1 .]" 2
186 2 54 ARG H 2 54 ARG HB3 2.985 . 4.170 2.986 2.502 3.432 . 0 0 "[ . 1 .]" 2
187 2 54 ARG HB3 2 55 LEU H 3.215 . 4.630 2.731 2.386 3.322 . 0 0 "[ . 1 .]" 2
188 2 54 ARG HB2 2 55 LEU H 3.215 . 4.630 3.351 2.746 3.777 . 0 0 "[ . 1 .]" 2
189 2 55 LEU H 2 55 LEU HB2 2.815 . 3.830 2.393 2.164 2.626 . 0 0 "[ . 1 .]" 2
190 2 55 LEU H 2 55 LEU HB3 2.890 . 3.980 3.552 3.472 3.584 . 0 0 "[ . 1 .]" 2
191 2 55 LEU HB2 2 56 THR H 3.155 . 4.510 2.777 2.241 2.945 . 0 0 "[ . 1 .]" 2
192 2 55 LEU HB3 2 56 THR H 2.890 . 3.980 3.639 3.098 3.882 . 0 0 "[ . 1 .]" 2
193 2 54 ARG HA 2 56 THR H 3.495 . 5.190 4.202 3.967 4.853 . 0 0 "[ . 1 .]" 2
194 2 53 LYS HA 2 56 THR H 2.985 . 4.170 3.628 3.336 3.866 . 0 0 "[ . 1 .]" 2
195 2 52 ILE HA 2 56 THR H 3.465 . 5.130 4.258 3.767 4.765 . 0 0 "[ . 1 .]" 2
196 2 54 ARG HA 2 57 ALA H 3.260 . 4.720 3.262 2.993 3.495 . 0 0 "[ . 1 .]" 2
197 2 56 THR HB 2 57 ALA H 3.280 . 4.760 4.007 3.879 4.123 . 0 0 "[ . 1 .]" 2
198 2 58 LEU H 2 58 LEU HB2 2.935 . 4.070 2.101 2.073 2.170 . 0 0 "[ . 1 .]" 2
199 2 57 ALA HA 2 59 ASN H 3.480 . 5.160 4.343 3.941 5.210 0.050 5 0 "[ . 1 .]" 2
200 2 58 LEU HB3 2 59 ASN H 3.155 . 4.510 3.399 2.479 3.833 . 0 0 "[ . 1 .]" 2
201 2 58 LEU HB2 2 59 ASN H 3.155 . 4.510 3.135 2.515 3.375 . 0 0 "[ . 1 .]" 2
202 2 56 THR HA 2 58 LEU H 3.480 . 5.160 4.195 3.959 4.478 . 0 0 "[ . 1 .]" 2
203 2 55 LEU HA 2 58 LEU H 3.155 . 4.510 3.418 3.240 3.751 . 0 0 "[ . 1 .]" 2
204 2 55 LEU HA 2 57 ALA H 3.185 . 4.570 4.213 3.974 4.427 . 0 0 "[ . 1 .]" 2
205 2 55 LEU HA 2 59 ASN H 3.310 . 4.820 4.061 3.743 4.469 . 0 0 "[ . 1 .]" 2
206 2 56 THR HA 2 59 ASN H 3.385 . 4.970 3.115 2.797 3.662 . 0 0 "[ . 1 .]" 2
207 2 54 ARG HA 2 58 LEU H 3.570 . 5.340 4.274 4.100 4.431 . 0 0 "[ . 1 .]" 2
208 2 53 LYS HA 2 57 ALA H 3.230 . 4.660 4.358 3.787 4.661 0.001 4 0 "[ . 1 .]" 2
209 2 59 ASN HB3 2 60 LYS H 3.325 . 4.850 4.544 3.869 4.660 . 0 0 "[ . 1 .]" 2
210 2 59 ASN HB2 2 60 LYS H 3.325 . 4.850 4.110 3.200 4.406 . 0 0 "[ . 1 .]" 2
211 2 65 VAL HB 2 66 VAL H 3.650 . 5.500 4.072 3.200 4.489 . 0 0 "[ . 1 .]" 2
212 2 67 THR HB 2 68 CYS H 2.905 . 4.010 3.824 3.668 4.020 0.010 2 0 "[ . 1 .]" 2
213 2 66 VAL HB 2 67 THR H 3.110 . 4.420 4.145 3.758 4.257 . 0 0 "[ . 1 .]" 2
214 2 68 CYS HB3 2 69 ILE H 3.170 . 4.540 3.530 2.634 4.111 . 0 0 "[ . 1 .]" 2
215 2 68 CYS HB2 2 69 ILE H 3.170 . 4.540 3.725 2.621 4.212 . 0 0 "[ . 1 .]" 2
216 2 69 ILE HB 2 70 ILE H 3.635 . 5.470 4.241 3.981 4.360 . 0 0 "[ . 1 .]" 2
217 2 70 ILE HB 2 71 MET H 3.295 . 4.790 2.972 2.761 3.428 . 0 0 "[ . 1 .]" 2
218 2 71 MET HB2 2 72 GLN H 3.260 . 4.720 4.543 4.339 4.654 . 0 0 "[ . 1 .]" 2
219 2 71 MET HB3 2 72 GLN H 3.260 . 4.720 3.924 3.477 4.271 . 0 0 "[ . 1 .]" 2
220 2 72 GLN H 2 72 GLN HB3 2.815 . 3.830 2.737 2.474 3.045 . 0 0 "[ . 1 .]" 2
221 2 74 ASN HB2 2 75 GLY H 3.620 . 5.440 3.911 2.175 4.476 . 0 0 "[ . 1 .]" 2
222 2 74 ASN HB3 2 75 GLY H 3.620 . 5.440 4.398 3.504 4.668 . 0 0 "[ . 1 .]" 2
223 2 80 THR HA 2 81 ALA H 2.520 . 3.240 2.303 2.257 2.333 . 0 0 "[ . 1 .]" 2
224 2 80 THR HB 2 81 ALA H 2.905 . 4.010 3.755 3.651 3.849 . 0 0 "[ . 1 .]" 2
225 2 82 ALA HA 2 83 SER H 2.675 . 3.550 2.133 2.069 2.301 . 0 0 "[ . 1 .]" 2
226 2 90 THR H 2 90 THR HB 2.905 . 4.010 3.617 3.519 3.767 . 0 0 "[ . 1 .]" 2
227 2 96 VAL H 2 96 VAL HB 2.970 . 4.140 2.826 2.711 3.030 . 0 0 "[ . 1 .]" 2
228 2 98 TRP HB3 2 99 GLU H 3.450 . 5.100 3.374 2.851 4.030 . 0 0 "[ . 1 .]" 2
229 2 98 TRP HB2 2 99 GLU H 3.450 . 5.100 4.231 2.736 4.539 . 0 0 "[ . 1 .]" 2
230 2 99 GLU H 2 99 GLU HB3 2.860 . 3.920 3.832 3.617 3.947 0.027 10 0 "[ . 1 .]" 2
231 2 99 GLU HB2 2 100 ASN H 3.090 . 4.380 3.796 3.352 4.382 0.002 5 0 "[ . 1 .]" 2
232 2 99 GLU HB3 2 100 ASN H 3.075 . 4.350 2.832 2.345 3.330 . 0 0 "[ . 1 .]" 2
233 2 107 CYS H 2 107 CYS HB2 2.955 . 4.110 3.347 2.640 3.844 . 0 0 "[ . 1 .]" 2
234 2 107 CYS H 2 107 CYS HB3 2.955 . 4.110 3.166 2.625 3.902 . 0 0 "[ . 1 .]" 2
235 2 107 CYS HB2 2 108 THR H 3.045 . 4.290 3.926 3.456 4.395 0.105 11 0 "[ . 1 .]" 2
236 2 107 CYS HB3 2 108 THR H 3.045 . 4.290 4.103 3.451 4.303 0.013 15 0 "[ . 1 .]" 2
237 2 106 ILE HB 2 107 CYS H 3.325 . 4.850 4.168 3.975 4.297 . 0 0 "[ . 1 .]" 2
238 2 108 THR H 2 108 THR HB 2.845 . 3.890 2.809 2.618 2.895 . 0 0 "[ . 1 .]" 2
239 2 108 THR HB 2 109 VAL H 3.510 . 5.220 4.136 3.983 4.295 . 0 0 "[ . 1 .]" 2
240 2 109 VAL HB 2 110 PHE H 3.400 . 5.000 3.824 3.559 4.451 . 0 0 "[ . 1 .]" 2
241 2 112 LEU H 2 112 LEU HB2 2.875 . 3.950 2.324 2.277 2.369 . 0 0 "[ . 1 .]" 2
242 2 110 PHE HB2 2 111 GLY H 3.340 . 4.880 4.414 4.084 4.575 . 0 0 "[ . 1 .]" 2
243 2 110 PHE HB3 2 111 GLY H 3.340 . 4.880 3.822 3.732 3.937 . 0 0 "[ . 1 .]" 2
244 2 8 VAL HB 2 9 GLU H 3.125 . 4.450 2.162 1.940 2.880 . 0 0 "[ . 1 .]" 2
245 2 9 GLU H 2 9 GLU HB2 3.000 . 4.200 2.655 2.216 2.996 . 0 0 "[ . 1 .]" 2
246 2 9 GLU H 2 9 GLU HB3 2.890 . 3.980 3.567 3.358 3.801 . 0 0 "[ . 1 .]" 2
247 2 10 GLU HB3 2 11 ALA H 3.125 . 4.450 3.949 3.291 4.245 . 0 0 "[ . 1 .]" 2
248 2 10 GLU HB2 2 11 ALA H 3.280 . 4.760 4.348 4.146 4.519 . 0 0 "[ . 1 .]" 2
249 2 67 THR H 2 108 THR H 2.890 . 3.980 3.626 3.301 3.939 . 0 0 "[ . 1 .]" 2
250 2 100 ASN H 2 102 SER H 3.125 . 4.450 3.956 3.662 4.391 . 0 0 "[ . 1 .]" 2
251 2 101 LYS H 2 102 SER H 2.720 . 3.640 2.290 1.970 3.695 0.055 10 0 "[ . 1 .]" 2
252 2 101 LYS H 2 103 MET H 3.280 . 4.760 3.540 2.524 4.250 . 0 0 "[ . 1 .]" 2
253 2 100 ASN H 2 101 LYS H 3.650 . 5.500 2.511 2.149 2.987 . 0 0 "[ . 1 .]" 2
254 2 101 LYS HA 2 103 MET H 3.650 . 5.500 5.295 4.272 5.541 0.041 8 0 "[ . 1 .]" 2
255 2 102 SER HB2 2 103 MET H 3.590 . 5.380 3.880 3.572 4.615 . 0 0 "[ . 1 .]" 2
256 2 102 SER HB3 2 103 MET H 3.590 . 5.380 2.822 2.193 4.175 . 0 0 "[ . 1 .]" 2
257 2 100 ASN HA 2 102 SER H 3.650 . 5.500 5.444 4.618 5.551 0.051 14 0 "[ . 1 .]" 2
258 2 98 TRP H 2 106 ILE HA 3.125 . 4.450 2.859 2.399 3.386 . 0 0 "[ . 1 .]" 2
259 2 97 ARG HA 2 107 CYS H 2.845 . 3.890 3.465 3.172 3.740 . 0 0 "[ . 1 .]" 2
260 2 96 VAL H 2 108 THR HA 3.015 . 4.230 2.914 2.661 3.096 . 0 0 "[ . 1 .]" 2
261 2 95 THR HA 2 109 VAL H 3.400 . 5.000 3.307 3.154 3.455 . 0 0 "[ . 1 .]" 2
262 2 93 SER HA 2 111 GLY H 2.970 . 4.140 3.968 3.550 4.196 0.056 10 0 "[ . 1 .]" 2
263 2 98 TRP H 2 99 GLU H 3.245 . 4.690 4.472 4.370 4.555 . 0 0 "[ . 1 .]" 2
264 2 96 VAL H 2 107 CYS H 3.185 . 4.570 2.999 2.671 3.345 . 0 0 "[ . 1 .]" 2
265 2 94 ARG H 2 109 VAL H 3.215 . 4.630 2.959 2.600 3.341 . 0 0 "[ . 1 .]" 2
266 2 69 ILE H 2 106 ILE H 3.465 . 5.130 3.421 3.097 3.977 . 0 0 "[ . 1 .]" 2
267 2 65 VAL H 2 110 PHE H 3.555 . 5.310 3.092 2.553 4.151 . 0 0 "[ . 1 .]" 2
268 2 68 CYS HA 2 108 THR H 2.955 . 4.110 2.827 2.435 3.135 . 0 0 "[ . 1 .]" 2
269 2 7 ALA H 2 8 VAL H 3.590 . 5.380 3.479 2.722 3.943 . 0 0 "[ . 1 .]" 2
270 2 8 VAL H 2 9 GLU H 3.015 . 4.230 3.283 2.019 3.871 . 0 0 "[ . 1 .]" 2
271 2 91 ASP H 2 113 ALA H 3.650 . 5.500 3.228 2.335 5.233 . 0 0 "[ . 1 .]" 2
272 2 111 GLY H 2 112 LEU H 3.260 . 4.720 4.039 3.859 4.164 . 0 0 "[ . 1 .]" 2
273 2 66 VAL HA 2 110 PHE H 3.385 . 4.970 3.395 2.478 4.002 . 0 0 "[ . 1 .]" 2
274 2 98 TRP H 2 107 CYS H 3.635 . 5.470 3.911 3.081 4.615 . 0 0 "[ . 1 .]" 2
275 2 69 ILE H 2 107 CYS HA 3.200 . 4.600 3.452 3.292 3.682 . 0 0 "[ . 1 .]" 2
276 2 103 MET HB2 2 104 TYR H 3.650 . 5.500 4.008 1.993 4.536 . 0 0 "[ . 1 .]" 2
277 2 101 LYS HB3 2 102 SER H 3.200 . 4.600 3.263 2.266 4.362 . 0 0 "[ . 1 .]" 2
278 2 100 ASN H 2 104 TYR HA 2.985 . 4.170 4.064 3.701 4.274 0.104 2 0 "[ . 1 .]" 2
279 2 97 ARG HB3 2 98 TRP H 3.620 . 5.440 4.002 3.493 4.359 . 0 0 "[ . 1 .]" 2
280 2 92 GLY H 2 93 SER H 3.280 . 4.760 2.158 1.759 2.796 0.041 9 0 "[ . 1 .]" 2
281 2 92 GLY H 2 111 GLY H 3.370 . 4.940 4.374 3.234 4.996 0.056 14 0 "[ . 1 .]" 2
282 2 90 THR HB 2 91 ASP H 3.525 . 5.250 4.218 2.710 4.472 . 0 0 "[ . 1 .]" 2
283 2 89 THR H 2 91 ASP H 3.510 . 5.220 4.824 3.358 5.262 0.042 4 0 "[ . 1 .]" 2
284 2 90 THR H 2 91 ASP HA 3.635 . 5.470 5.076 4.786 5.327 . 0 0 "[ . 1 .]" 2
285 2 85 TRP HB2 2 86 TRP H 3.385 . 4.970 3.637 3.107 4.159 . 0 0 "[ . 1 .]" 2
286 2 75 GLY H 2 76 ALA H 3.635 . 5.470 2.771 1.990 4.215 . 0 0 "[ . 1 .]" 2
287 2 71 MET H 2 105 CYS HA 3.230 . 4.660 3.073 2.504 3.518 . 0 0 "[ . 1 .]" 2
288 2 67 THR H 2 68 CYS H 3.435 . 5.070 4.406 4.325 4.481 . 0 0 "[ . 1 .]" 2
289 2 67 THR H 2 109 VAL HA 3.325 . 4.850 3.334 2.796 3.648 . 0 0 "[ . 1 .]" 2
290 2 63 LYS H 2 64 TYR H 3.650 . 5.500 4.321 4.036 4.496 . 0 0 "[ . 1 .]" 2
291 2 62 PHE H 2 63 LYS H 3.525 . 5.250 2.588 2.342 2.745 . 0 0 "[ . 1 .]" 2
292 2 61 PRO HB2 2 62 PHE H 3.230 . 4.660 2.070 1.918 2.244 . 0 0 "[ . 1 .]" 2
293 2 61 PRO HB3 2 62 PHE H 3.230 . 4.660 3.288 2.504 3.570 . 0 0 "[ . 1 .]" 2
294 2 58 LEU H 2 59 ASN HA 3.385 . 4.970 4.609 4.376 4.855 . 0 0 "[ . 1 .]" 2
295 2 49 GLU HA 2 53 LYS H 3.230 . 4.660 3.696 3.556 3.880 . 0 0 "[ . 1 .]" 2
296 2 47 CYS H 2 49 GLU H 3.280 . 4.760 3.925 3.874 3.961 . 0 0 "[ . 1 .]" 2
297 2 41 SER H 2 43 TRP H 3.340 . 4.880 3.531 3.361 3.665 . 0 0 "[ . 1 .]" 2
298 2 39 LYS HB3 2 40 VAL H 3.650 . 5.500 3.673 3.516 3.813 . 0 0 "[ . 1 .]" 2
299 2 39 LYS HB2 2 40 VAL H 3.650 . 5.500 3.393 3.300 3.474 . 0 0 "[ . 1 .]" 2
300 2 36 SER HB2 2 39 LYS H 3.325 . 4.850 3.412 3.031 3.605 . 0 0 "[ . 1 .]" 2
301 2 37 GLU HB2 2 38 ALA H 3.140 . 4.480 3.907 3.869 4.014 . 0 0 "[ . 1 .]" 2
302 2 39 LYS H 2 39 LYS HB3 2.815 . 3.830 3.385 3.298 3.496 . 0 0 "[ . 1 .]" 2
303 2 39 LYS H 2 39 LYS HB2 2.815 . 3.830 2.198 2.120 2.312 . 0 0 "[ . 1 .]" 2
304 2 33 GLN H 2 34 GLN H 3.340 . 4.880 3.858 3.014 4.406 . 0 0 "[ . 1 .]" 2
305 2 30 LEU HA 2 33 GLN H 3.495 . 5.190 4.681 4.227 5.043 . 0 0 "[ . 1 .]" 2
306 2 31 GLN HA 2 33 GLN H 3.170 . 4.540 3.685 3.517 4.207 . 0 0 "[ . 1 .]" 2
307 2 29 VAL HA 2 31 GLN H 3.525 . 5.250 4.835 4.681 4.951 . 0 0 "[ . 1 .]" 2
308 2 22 ILE H 2 24 GLU H 3.155 . 4.510 4.360 4.220 4.474 . 0 0 "[ . 1 .]" 2
309 2 20 ASN HA 2 23 LYS H 3.245 . 4.690 3.696 3.493 3.810 . 0 0 "[ . 1 .]" 2
310 2 21 ILE HA 2 24 GLU H 3.110 . 4.420 3.950 3.754 4.073 . 0 0 "[ . 1 .]" 2
311 2 20 ASN HA 2 24 GLU H 3.590 . 5.380 3.534 3.320 3.682 . 0 0 "[ . 1 .]" 2
312 2 21 ILE HA 2 25 SER H 3.420 . 5.040 4.061 3.881 4.293 . 0 0 "[ . 1 .]" 2
313 2 5 ASP H 2 101 LYS HA 3.650 . 5.500 3.410 2.394 4.060 . 0 0 "[ . 1 .]" 2
314 2 4 VAL HB 2 5 ASP H 3.325 . 4.850 4.103 3.590 4.301 . 0 0 "[ . 1 .]" 2
315 2 49 GLU HA 2 52 ILE H 3.620 . 5.440 3.430 3.300 3.578 . 0 0 "[ . 1 .]" 2
316 2 51 CYS HA 2 53 LYS H 3.280 . 4.760 4.496 4.225 4.664 . 0 0 "[ . 1 .]" 2
317 2 51 CYS HA 2 54 ARG H 3.215 . 4.630 3.530 3.362 3.693 . 0 0 "[ . 1 .]" 2
318 2 28 ALA HA 2 30 LEU H 3.650 . 5.500 3.732 3.645 3.798 . 0 0 "[ . 1 .]" 2
319 2 28 ALA HA 2 31 GLN H 3.325 . 4.850 3.383 3.222 3.489 . 0 0 "[ . 1 .]" 2
320 2 20 ASN HA 2 22 ILE H 3.540 . 5.280 4.663 4.306 4.768 . 0 0 "[ . 1 .]" 2
321 2 17 ASP HA 2 19 SER H 3.605 . 5.410 4.502 4.367 4.607 . 0 0 "[ . 1 .]" 2
322 2 17 ASP HA 2 20 ASN H 3.525 . 5.250 4.064 3.909 4.137 . 0 0 "[ . 1 .]" 2
323 2 17 ASP HA 2 21 ILE H 3.650 . 5.500 4.753 4.194 4.996 . 0 0 "[ . 1 .]" 2
324 2 18 VAL HA 2 20 ASN H 3.420 . 5.040 4.338 4.213 4.561 . 0 0 "[ . 1 .]" 2
325 2 18 VAL HA 2 21 ILE H 3.155 . 4.510 3.434 3.299 3.733 . 0 0 "[ . 1 .]" 2
326 2 18 VAL HA 2 22 ILE H 3.400 . 5.000 4.189 3.772 4.415 . 0 0 "[ . 1 .]" 2
327 2 19 SER HA 2 21 ILE H 3.650 . 5.500 4.560 4.247 4.822 . 0 0 "[ . 1 .]" 2
328 2 21 ILE HA 2 23 LYS H 3.525 . 5.250 4.835 4.781 4.950 . 0 0 "[ . 1 .]" 2
329 2 22 ILE HA 2 24 GLU H 3.510 . 5.220 4.797 4.661 4.957 . 0 0 "[ . 1 .]" 2
330 2 22 ILE HA 2 25 SER H 3.355 . 4.910 3.567 3.439 3.706 . 0 0 "[ . 1 .]" 2
331 2 22 ILE HA 2 26 ILE H 3.385 . 4.970 4.219 3.918 4.384 . 0 0 "[ . 1 .]" 2
332 2 23 LYS HA 2 25 SER H 3.555 . 5.310 4.108 4.052 4.166 . 0 0 "[ . 1 .]" 2
333 2 23 LYS HA 2 26 ILE H 3.310 . 4.820 3.283 3.162 3.438 . 0 0 "[ . 1 .]" 2
334 2 23 LYS HA 2 27 ASP H 3.340 . 4.880 4.165 3.801 4.457 . 0 0 "[ . 1 .]" 2
335 2 24 GLU HA 2 27 ASP H 3.140 . 4.480 3.618 3.448 3.718 . 0 0 "[ . 1 .]" 2
336 2 24 GLU HA 2 28 ALA H 3.555 . 5.310 4.653 4.456 4.815 . 0 0 "[ . 1 .]" 2
337 2 25 SER HA 2 27 ASP H 3.450 . 5.100 4.393 4.282 4.483 . 0 0 "[ . 1 .]" 2
338 2 25 SER HA 2 28 ALA H 3.215 . 4.630 3.404 3.326 3.450 . 0 0 "[ . 1 .]" 2
339 2 25 SER HA 2 29 VAL H 3.650 . 5.500 3.746 3.672 3.827 . 0 0 "[ . 1 .]" 2
340 2 38 ALA H 2 40 VAL H 3.420 . 5.040 3.856 3.811 3.943 . 0 0 "[ . 1 .]" 2
341 2 56 THR H 2 58 LEU H 3.495 . 5.190 3.967 3.794 4.113 . 0 0 "[ . 1 .]" 2
342 2 64 TYR H 2 65 VAL H 3.555 . 5.310 4.377 4.243 4.489 . 0 0 "[ . 1 .]" 2
343 2 66 VAL H 2 67 THR H 3.605 . 5.410 4.157 3.971 4.521 . 0 0 "[ . 1 .]" 2
344 2 103 MET H 2 104 TYR H 3.420 . 5.040 4.511 4.103 4.662 . 0 0 "[ . 1 .]" 2
345 2 113 ALA H 2 114 ILE H 3.420 . 5.040 3.801 2.792 4.059 . 0 0 "[ . 1 .]" 2
346 2 112 LEU H 2 113 ALA H 3.170 . 4.540 4.471 4.293 4.569 0.029 14 0 "[ . 1 .]" 2
347 2 110 PHE H 2 111 GLY H 3.525 . 5.250 4.064 3.928 4.159 . 0 0 "[ . 1 .]" 2
348 2 26 ILE H 2 27 ASP H 2.890 . 3.980 2.686 2.595 2.733 . 0 0 "[ . 1 .]" 2
349 2 91 ASP H 2 92 GLY H 3.510 . 5.220 4.035 3.609 4.485 . 0 0 "[ . 1 .]" 2
350 2 39 LYS H 2 42 GLN H 3.650 . 5.500 4.837 4.680 4.956 . 0 0 "[ . 1 .]" 2
351 2 94 ARG H 2 95 THR H 3.185 . 4.570 4.027 3.766 4.331 . 0 0 "[ . 1 .]" 2
352 2 93 SER H 2 94 ARG H 3.465 . 5.130 4.129 3.655 4.485 . 0 0 "[ . 1 .]" 2
353 2 97 ARG H 2 98 TRP H 3.525 . 5.250 4.276 4.146 4.440 . 0 0 "[ . 1 .]" 2
354 2 106 ILE H 2 107 CYS H 3.295 . 4.790 4.408 4.273 4.515 . 0 0 "[ . 1 .]" 2
355 2 108 THR H 2 109 VAL H 3.295 . 4.790 4.468 4.399 4.513 . 0 0 "[ . 1 .]" 2
356 2 65 VAL H 2 66 VAL H 3.650 . 5.500 4.366 3.957 4.513 . 0 0 "[ . 1 .]" 2
357 2 68 CYS H 2 69 ILE H 3.555 . 5.310 4.348 4.228 4.446 . 0 0 "[ . 1 .]" 2
358 2 69 ILE H 2 70 ILE H 3.650 . 5.500 4.265 4.122 4.491 . 0 0 "[ . 1 .]" 2
359 2 76 ALA H 2 77 GLY H 3.650 . 5.500 4.493 4.188 4.616 . 0 0 "[ . 1 .]" 2
360 2 3 GLY H 2 4 VAL H 3.570 . 5.340 2.900 1.979 3.920 . 0 0 "[ . 1 .]" 2
361 2 4 VAL H 2 5 ASP H 3.650 . 5.500 4.447 4.282 4.593 . 0 0 "[ . 1 .]" 2
362 2 9 GLU H 2 10 GLU H 3.295 . 4.790 3.725 3.306 4.017 . 0 0 "[ . 1 .]" 2
363 2 10 GLU H 2 11 ALA H 3.295 . 4.790 4.531 4.465 4.634 . 0 0 "[ . 1 .]" 2
364 2 11 ALA H 2 12 ALA H 3.280 . 4.760 4.516 4.468 4.568 . 0 0 "[ . 1 .]" 2
365 2 12 ALA H 2 13 PHE H 3.260 . 4.720 4.202 3.771 4.634 . 0 0 "[ . 1 .]" 2
366 2 14 VAL H 2 15 ALA H 3.260 . 4.720 4.440 3.715 4.649 . 0 0 "[ . 1 .]" 2
367 2 9 GLU H 2 98 TRP HA 3.570 . 5.340 5.135 3.241 5.481 0.141 8 0 "[ . 1 .]" 2
368 2 12 ALA HA 2 95 THR H 3.420 . 5.040 4.591 3.888 5.079 0.039 1 0 "[ . 1 .]" 2
369 2 7 ALA H 2 99 GLU H 3.540 . 5.280 2.441 1.930 3.447 . 0 0 "[ . 1 .]" 2
370 2 7 ALA H 2 100 ASN HA 3.650 . 5.500 3.904 3.405 4.157 . 0 0 "[ . 1 .]" 2
371 2 10 GLU HA 2 97 ARG H 3.355 . 4.910 3.492 2.659 4.383 . 0 0 "[ . 1 .]" 2
372 2 101 LYS HB2 2 102 SER H 3.200 . 4.600 3.712 3.398 4.625 0.025 10 0 "[ . 1 .]" 2
373 2 103 MET HB3 2 104 TYR H 3.650 . 5.500 3.552 2.513 4.341 . 0 0 "[ . 1 .]" 2
374 2 37 GLU HB3 2 38 ALA H 3.310 . 4.820 2.671 2.631 2.857 . 0 0 "[ . 1 .]" 2
375 2 37 GLU HA 2 39 LYS H 3.650 . 5.500 3.842 3.554 3.969 . 0 0 "[ . 1 .]" 2
376 2 37 GLU HA 2 40 VAL H 3.325 . 4.850 2.882 2.841 2.976 . 0 0 "[ . 1 .]" 2
377 2 37 GLU HA 2 41 SER H 3.465 . 5.130 4.971 4.804 5.154 0.024 10 0 "[ . 1 .]" 2
378 2 43 TRP HA 2 45 SER H 3.650 . 5.500 3.982 3.831 4.222 . 0 0 "[ . 1 .]" 2
379 2 43 TRP HA 2 46 SER H 3.525 . 5.250 3.355 3.106 3.764 . 0 0 "[ . 1 .]" 2
380 2 43 TRP HA 2 47 CYS H 3.650 . 5.500 4.371 4.173 4.695 . 0 0 "[ . 1 .]" 2
381 2 46 SER HA 2 48 LEU H 3.650 . 5.500 4.206 4.116 4.387 . 0 0 "[ . 1 .]" 2
382 2 50 HIS HA 2 54 ARG H 3.650 . 5.500 4.066 3.684 4.253 . 0 0 "[ . 1 .]" 2
383 2 50 HIS HA 2 53 LYS H 3.495 . 5.190 3.659 3.476 3.775 . 0 0 "[ . 1 .]" 2
384 2 50 HIS HA 2 52 ILE H 3.650 . 5.500 4.628 4.530 4.828 . 0 0 "[ . 1 .]" 2
385 2 19 SER HA 2 23 LYS H 3.650 . 5.500 4.291 3.942 4.534 . 0 0 "[ . 1 .]" 2
386 2 19 SER HA 2 22 ILE H 3.650 . 5.500 3.959 3.732 4.101 . 0 0 "[ . 1 .]" 2
387 2 112 LEU HA 2 114 ILE H 3.355 . 4.910 4.868 4.183 4.992 0.082 15 0 "[ . 1 .]" 2
388 2 97 ARG HB2 2 98 TRP H 3.620 . 5.440 4.436 4.200 4.592 . 0 0 "[ . 1 .]" 2
389 2 89 THR HB 2 90 THR H 3.590 . 5.380 3.958 3.802 4.410 . 0 0 "[ . 1 .]" 2
390 2 36 SER HB3 2 39 LYS H 3.325 . 4.850 2.607 2.272 2.966 . 0 0 "[ . 1 .]" 2
391 2 78 LEU H 2 79 HIS H 3.650 . 5.500 4.208 3.741 4.475 . 0 0 "[ . 1 .]" 2
392 2 87 ASP H 2 88 SER H 3.420 . 5.040 3.119 1.997 4.251 . 0 0 "[ . 1 .]" 2
393 2 88 SER H 2 89 THR H 3.140 . 4.480 2.565 2.386 2.703 . 0 0 "[ . 1 .]" 2
394 2 86 TRP H 2 87 ASP H 3.555 . 5.310 4.528 4.441 4.574 . 0 0 "[ . 1 .]" 2
395 2 87 ASP HA 2 90 THR H 3.555 . 5.310 4.218 3.193 5.291 . 0 0 "[ . 1 .]" 2
396 2 105 CYS H 2 106 ILE H 3.650 . 5.500 4.019 3.769 4.370 . 0 0 "[ . 1 .]" 2
397 2 104 TYR H 2 105 CYS H 3.650 . 5.500 4.476 4.352 4.566 . 0 0 "[ . 1 .]" 2
398 2 99 GLU H 2 104 TYR HA 3.480 . 5.160 5.145 4.636 5.257 0.097 13 0 "[ . 1 .]" 2
399 2 71 MET H 2 104 TYR H 3.650 . 5.500 3.542 2.795 4.066 . 0 0 "[ . 1 .]" 2
400 2 74 ASN H 2 75 GLY H 3.200 . 4.600 3.036 1.991 4.220 . 0 0 "[ . 1 .]" 2
401 2 83 SER H 2 84 CYS H 3.510 . 5.220 4.158 4.028 4.373 . 0 0 "[ . 1 .]" 2
402 2 65 VAL H 2 111 GLY HA3 3.650 . 5.500 5.088 4.744 5.500 . 0 0 "[ . 1 .]" 2
403 2 70 ILE HA 2 106 ILE H 3.570 . 5.340 3.328 3.064 3.558 . 0 0 "[ . 1 .]" 2
404 2 73 LYS H 2 103 MET HA 3.650 . 5.500 3.051 2.047 4.170 . 0 0 "[ . 1 .]" 2
405 2 72 GLN HA 2 104 TYR H 3.650 . 5.500 4.160 3.720 4.454 . 0 0 "[ . 1 .]" 2
406 2 99 GLU HA 2 105 CYS H 3.650 . 5.500 3.398 2.563 3.906 . 0 0 "[ . 1 .]" 2
407 2 7 ALA HA 2 99 GLU H 3.605 . 5.410 2.390 1.978 3.388 . 0 0 "[ . 1 .]" 2
408 2 9 GLU HB3 2 10 GLU H 3.650 . 5.500 4.224 4.065 4.515 . 0 0 "[ . 1 .]" 2
409 2 9 GLU HB2 2 10 GLU H 3.650 . 5.500 4.461 4.310 4.635 . 0 0 "[ . 1 .]" 2
410 2 37 GLU H 2 38 ALA H 3.650 . 5.500 2.712 2.568 2.821 . 0 0 "[ . 1 .]" 2
411 2 16 ASP H 2 17 ASP H 3.590 . 5.380 2.698 2.560 2.848 . 0 0 "[ . 1 .]" 2
412 2 15 ALA HA 2 17 ASP H 3.650 . 5.500 3.596 3.154 4.508 . 0 0 "[ . 1 .]" 2
413 2 15 ALA HA 2 18 VAL H 3.420 . 5.040 4.182 3.599 5.011 . 0 0 "[ . 1 .]" 2
414 2 15 ALA HA 2 19 SER H 3.650 . 5.500 4.877 4.356 5.070 . 0 0 "[ . 1 .]" 2
415 2 8 VAL H 2 10 GLU H 3.570 . 5.340 4.964 3.876 5.374 0.034 1 0 "[ . 1 .]" 2
416 2 8 VAL HA 2 10 GLU H 3.650 . 5.500 4.936 4.289 5.508 0.008 10 0 "[ . 1 .]" 2
417 2 11 ALA H 2 97 ARG H 3.650 . 5.500 2.271 1.969 2.900 . 0 0 "[ . 1 .]" 2
418 2 11 ALA H 2 96 VAL HA 3.435 . 5.070 2.764 2.092 3.618 . 0 0 "[ . 1 .]" 2
419 2 92 GLY H 2 112 LEU HA 3.420 . 5.040 4.415 3.618 5.013 . 0 0 "[ . 1 .]" 2
420 2 88 SER HB2 2 89 THR H 3.420 . 5.040 3.789 2.940 4.528 . 0 0 "[ . 1 .]" 2
421 2 88 SER HB3 2 89 THR H 3.420 . 5.040 3.478 2.856 4.382 . 0 0 "[ . 1 .]" 2
422 2 91 ASP HA 2 113 ALA H 3.650 . 5.500 5.441 4.792 5.820 0.320 6 0 "[ . 1 .]" 2
423 2 63 LYS H 2 112 LEU H 3.650 . 5.500 5.052 4.628 5.412 . 0 0 "[ . 1 .]" 2
424 2 85 TRP HB3 2 86 TRP H 3.385 . 4.970 2.531 1.982 3.619 . 0 0 "[ . 1 .]" 2
425 2 74 ASN H 2 76 ALA H 3.355 . 4.910 4.629 2.822 5.152 0.242 3 0 "[ . 1 .]" 2
426 2 94 ARG HB2 2 95 THR H 3.295 . 4.790 4.361 3.971 4.643 . 0 0 "[ . 1 .]" 2
427 2 94 ARG HB3 2 95 THR H 3.295 . 4.790 3.706 3.228 4.129 . 0 0 "[ . 1 .]" 2
428 2 96 VAL HB 2 97 ARG H 3.420 . 5.040 4.063 3.598 4.301 . 0 0 "[ . 1 .]" 2
429 2 93 SER HB2 2 94 ARG H 3.650 . 5.500 3.924 3.119 4.589 . 0 0 "[ . 1 .]" 2
430 2 93 SER HB3 2 94 ARG H 3.650 . 5.500 4.092 3.114 4.563 . 0 0 "[ . 1 .]" 2
431 2 64 TYR HB2 2 65 VAL H 3.650 . 5.500 3.732 2.954 4.478 . 0 0 "[ . 1 .]" 2
432 2 64 TYR HB3 2 65 VAL H 3.650 . 5.500 3.518 3.084 4.355 . 0 0 "[ . 1 .]" 2
433 2 73 LYS H 2 103 MET H 3.650 . 5.500 4.923 4.410 5.522 0.022 2 0 "[ . 1 .]" 2
434 2 12 ALA H 2 95 THR H 3.650 . 5.500 5.292 4.546 5.575 0.075 5 0 "[ . 1 .]" 2
435 2 12 ALA H 2 96 VAL HA 3.355 . 4.910 4.821 4.549 4.943 0.033 2 0 "[ . 1 .]" 2
436 2 34 GLN H 2 35 TYR H 3.480 . 5.160 4.487 4.390 4.590 . 0 0 "[ . 1 .]" 2
437 2 34 GLN HB3 2 35 TYR H 3.525 . 5.250 2.819 2.653 3.262 . 0 0 "[ . 1 .]" 2
438 2 34 GLN HB2 2 35 TYR H 3.465 . 5.130 3.816 3.746 3.966 . 0 0 "[ . 1 .]" 2
439 2 8 VAL H 2 98 TRP HA 3.650 . 5.500 5.234 3.306 5.649 0.149 10 0 "[ . 1 .]" 2
440 2 35 TYR HB3 2 36 SER H 3.650 . 5.500 4.429 4.358 4.532 . 0 0 "[ . 1 .]" 2
441 2 35 TYR HB2 2 36 SER H 3.650 . 5.500 4.385 4.214 4.502 . 0 0 "[ . 1 .]" 2
442 2 5 ASP H 2 100 ASN HA 3.650 . 5.500 3.786 3.255 4.254 . 0 0 "[ . 1 .]" 2
443 2 87 ASP HA 2 89 THR H 3.355 . 4.910 3.605 3.190 4.124 . 0 0 "[ . 1 .]" 2
444 2 95 THR HB 2 96 VAL H 3.555 . 5.310 4.013 3.889 4.102 . 0 0 "[ . 1 .]" 2
445 2 88 SER H 2 90 THR H 3.245 . 4.690 4.331 3.861 4.746 0.056 13 0 "[ . 1 .]" 2
446 2 91 ASP HA 2 93 SER H 3.170 . 4.540 4.030 3.253 4.650 0.110 10 0 "[ . 1 .]" 2
447 2 73 LYS HB3 2 74 ASN H 3.650 . 5.500 2.983 1.974 4.588 . 0 0 "[ . 1 .]" 2
448 2 73 LYS HB2 2 74 ASN H 3.650 . 5.500 3.650 1.974 4.646 . 0 0 "[ . 1 .]" 2
449 2 73 LYS HA 2 75 GLY H 3.650 . 5.500 4.993 3.611 5.553 0.053 12 0 "[ . 1 .]" 2
450 2 73 LYS H 2 74 ASN H 3.650 . 5.500 4.420 3.852 4.673 . 0 0 "[ . 1 .]" 2
451 2 64 TYR HA 2 112 LEU H 3.400 . 5.000 2.600 2.289 2.982 . 0 0 "[ . 1 .]" 2
452 2 63 LYS HB2 2 64 TYR H 3.650 . 5.500 4.504 4.337 4.656 . 0 0 "[ . 1 .]" 2
453 2 63 LYS HB3 2 64 TYR H 3.650 . 5.500 4.025 3.392 4.483 . 0 0 "[ . 1 .]" 2
454 2 93 SER H 2 111 GLY H 3.355 . 4.910 3.558 2.835 4.494 . 0 0 "[ . 1 .]" 2
455 2 93 SER H 2 110 PHE HA 3.590 . 5.380 2.861 1.980 3.647 . 0 0 "[ . 1 .]" 2
456 2 30 LEU H 2 32 ASN H 3.650 . 5.500 3.208 3.108 3.354 . 0 0 "[ . 1 .]" 2
457 2 60 LYS H 2 61 PRO HA 3.650 . 5.500 4.244 3.700 4.768 . 0 0 "[ . 1 .]" 2
458 2 63 LYS H 2 114 ILE H 3.465 . 5.130 2.848 1.963 5.170 0.040 6 0 "[ . 1 .]" 2
459 2 60 LYS HA 2 62 PHE H 3.260 . 4.720 4.434 4.011 4.791 0.071 14 0 "[ . 1 .]" 2
460 2 56 THR HA 2 60 LYS H 3.650 . 5.500 4.739 3.414 5.505 0.005 5 0 "[ . 1 .]" 2
461 2 63 LYS H 2 113 ALA HA 3.555 . 5.310 4.027 3.180 4.949 . 0 0 "[ . 1 .]" 2
462 2 63 LYS HA 2 112 LEU H 3.650 . 5.500 5.284 5.135 5.393 . 0 0 "[ . 1 .]" 2
463 2 71 MET H 2 71 MET HG2 3.650 . 5.500 4.262 3.239 4.814 . 0 0 "[ . 1 .]" 2
464 2 26 ILE H 2 26 ILE QG 4.090 . 6.380 3.392 3.279 3.587 . 0 0 "[ . 1 .]" 2
465 2 26 ILE QG 2 27 ASP H 4.090 . 6.380 4.489 4.457 4.520 . 0 0 "[ . 1 .]" 2
466 2 26 ILE QG 2 28 ALA H 4.090 . 6.380 5.753 5.703 5.813 . 0 0 "[ . 1 .]" 2
467 2 21 ILE H 2 21 ILE QG 4.090 . 6.380 2.083 1.971 2.245 . 0 0 "[ . 1 .]" 2
468 2 21 ILE QG 2 22 ILE H 4.090 . 6.380 4.017 3.927 4.129 . 0 0 "[ . 1 .]" 2
469 2 23 LYS H 2 23 LYS HG2 3.650 . 5.500 3.686 3.313 4.230 . 0 0 "[ . 1 .]" 2
470 2 23 LYS H 2 23 LYS HG3 3.650 . 5.500 2.454 1.989 3.540 . 0 0 "[ . 1 .]" 2
471 2 23 LYS H 2 23 LYS HD2 3.650 . 5.500 4.255 3.766 4.737 . 0 0 "[ . 1 .]" 2
472 2 23 LYS H 2 23 LYS HD3 3.650 . 5.500 4.517 4.258 5.437 . 0 0 "[ . 1 .]" 2
473 2 23 LYS HD3 2 24 GLU H 3.650 . 5.500 5.325 4.817 5.805 0.305 4 0 "[ . 1 .]" 2
474 2 23 LYS HD2 2 24 GLU H 3.650 . 5.500 5.216 4.381 5.581 0.081 7 0 "[ . 1 .]" 2
475 2 23 LYS HG3 2 24 GLU H 3.650 . 5.500 4.406 4.014 5.004 . 0 0 "[ . 1 .]" 2
476 2 23 LYS HG2 2 24 GLU H 3.650 . 5.500 4.894 4.747 5.066 . 0 0 "[ . 1 .]" 2
477 2 24 GLU H 2 24 GLU HG3 3.245 . 4.690 3.486 2.872 4.128 . 0 0 "[ . 1 .]" 2
478 2 24 GLU H 2 24 GLU HG2 3.245 . 4.690 3.483 2.523 4.376 . 0 0 "[ . 1 .]" 2
479 2 24 GLU HG2 2 25 SER H 3.650 . 5.500 4.953 4.572 5.294 . 0 0 "[ . 1 .]" 2
480 2 24 GLU HG3 2 25 SER H 3.650 . 5.500 4.969 4.756 5.179 . 0 0 "[ . 1 .]" 2
481 2 30 LEU H 2 30 LEU HG 3.650 . 5.500 4.462 4.270 4.595 . 0 0 "[ . 1 .]" 2
482 2 30 LEU HG 2 31 GLN H 3.650 . 5.500 5.296 5.256 5.380 . 0 0 "[ . 1 .]" 2
483 2 31 GLN H 2 31 GLN HG2 3.650 . 5.500 4.553 4.530 4.595 . 0 0 "[ . 1 .]" 2
484 2 31 GLN H 2 31 GLN HG3 3.650 . 5.500 4.403 4.358 4.446 . 0 0 "[ . 1 .]" 2
485 2 34 GLN H 2 34 GLN HG2 3.650 . 5.500 4.671 4.379 5.039 . 0 0 "[ . 1 .]" 2
486 2 34 GLN H 2 34 GLN HG3 3.650 . 5.500 4.520 4.241 4.858 . 0 0 "[ . 1 .]" 2
487 2 39 LYS H 2 39 LYS HG2 3.650 . 5.500 4.403 4.306 4.534 . 0 0 "[ . 1 .]" 2
488 2 39 LYS H 2 39 LYS HG3 3.650 . 5.500 4.258 4.014 4.485 . 0 0 "[ . 1 .]" 2
489 2 39 LYS H 2 39 LYS HD2 3.650 . 5.500 4.619 4.423 4.869 . 0 0 "[ . 1 .]" 2
490 2 39 LYS H 2 39 LYS HD3 3.650 . 5.500 2.981 2.771 3.224 . 0 0 "[ . 1 .]" 2
491 2 39 LYS H 2 39 LYS HE2 3.650 . 5.500 3.244 3.049 3.458 . 0 0 "[ . 1 .]" 2
492 2 39 LYS H 2 39 LYS HE3 3.650 . 5.500 4.320 3.605 4.815 . 0 0 "[ . 1 .]" 2
493 2 39 LYS HG3 2 40 VAL H 3.650 . 5.500 5.196 5.111 5.264 . 0 0 "[ . 1 .]" 2
494 2 39 LYS HG2 2 40 VAL H 3.650 . 5.500 5.566 5.500 5.610 0.110 8 0 "[ . 1 .]" 2
495 2 42 GLN H 2 42 GLN HG2 3.650 . 5.500 3.282 2.023 4.198 . 0 0 "[ . 1 .]" 2
496 2 42 GLN H 2 42 GLN HG3 3.650 . 5.500 3.831 3.262 4.270 . 0 0 "[ . 1 .]" 2
497 2 42 GLN HG2 2 43 TRP H 3.650 . 5.500 4.874 4.117 5.364 . 0 0 "[ . 1 .]" 2
498 2 42 GLN HG3 2 43 TRP H 3.650 . 5.500 5.118 4.793 5.280 . 0 0 "[ . 1 .]" 2
499 2 48 LEU H 2 48 LEU HG 3.420 . 5.040 4.287 4.190 4.406 . 0 0 "[ . 1 .]" 2
500 2 48 LEU HG 2 49 GLU H 3.650 . 5.500 5.247 5.205 5.298 . 0 0 "[ . 1 .]" 2
501 2 49 GLU H 2 49 GLU HG2 3.650 . 5.500 4.472 4.458 4.502 . 0 0 "[ . 1 .]" 2
502 2 49 GLU H 2 49 GLU HG3 3.650 . 5.500 4.481 4.411 4.557 . 0 0 "[ . 1 .]" 2
503 2 49 GLU HG3 2 50 HIS H 3.650 . 5.500 5.139 4.991 5.189 . 0 0 "[ . 1 .]" 2
504 2 49 GLU HG2 2 50 HIS H 3.650 . 5.500 4.271 4.084 4.408 . 0 0 "[ . 1 .]" 2
505 2 52 ILE H 2 52 ILE QG 3.810 . 5.820 3.978 3.912 4.065 . 0 0 "[ . 1 .]" 2
506 2 52 ILE QG 2 53 LYS H 4.090 . 6.380 4.173 3.538 4.412 . 0 0 "[ . 1 .]" 2
507 2 53 LYS H 2 53 LYS HG2 3.650 . 5.500 3.451 2.016 4.006 . 0 0 "[ . 1 .]" 2
508 2 53 LYS H 2 53 LYS HG3 3.650 . 5.500 3.907 3.155 4.276 . 0 0 "[ . 1 .]" 2
509 2 53 LYS H 2 53 LYS HD2 3.650 . 5.500 2.814 2.074 4.756 . 0 0 "[ . 1 .]" 2
510 2 53 LYS H 2 53 LYS QE 3.650 . 5.500 3.490 3.021 4.370 . 0 0 "[ . 1 .]" 2
511 2 53 LYS HG3 2 54 ARG H 3.650 . 5.500 5.119 4.801 5.355 . 0 0 "[ . 1 .]" 2
512 2 53 LYS HG2 2 54 ARG H 3.650 . 5.500 5.000 4.258 5.380 . 0 0 "[ . 1 .]" 2
513 2 54 ARG H 2 54 ARG HG2 3.650 . 5.500 4.050 3.296 4.674 . 0 0 "[ . 1 .]" 2
514 2 54 ARG H 2 54 ARG HG3 3.650 . 5.500 4.330 3.801 4.482 . 0 0 "[ . 1 .]" 2
515 2 54 ARG H 2 54 ARG HD2 3.650 . 5.500 5.301 4.268 5.581 0.081 15 0 "[ . 1 .]" 2
516 2 54 ARG H 2 54 ARG HD3 3.650 . 5.500 4.775 4.322 5.593 0.093 2 0 "[ . 1 .]" 2
517 2 54 ARG HG3 2 55 LEU H 3.650 . 5.500 4.676 3.853 5.285 . 0 0 "[ . 1 .]" 2
518 2 54 ARG HG2 2 55 LEU H 3.650 . 5.500 4.710 4.166 5.025 . 0 0 "[ . 1 .]" 2
519 2 55 LEU H 2 55 LEU HG 3.650 . 5.500 2.597 1.955 4.223 . 0 0 "[ . 1 .]" 2
520 2 55 LEU HG 2 56 THR H 3.650 . 5.500 4.530 4.105 5.048 . 0 0 "[ . 1 .]" 2
521 2 58 LEU H 2 58 LEU HG 3.650 . 5.500 3.968 3.463 4.318 . 0 0 "[ . 1 .]" 2
522 2 58 LEU HG 2 59 ASN H 3.650 . 5.500 5.150 4.663 5.566 0.066 15 0 "[ . 1 .]" 2
523 2 69 ILE H 2 69 ILE QG 4.090 . 6.380 3.383 2.719 3.742 . 0 0 "[ . 1 .]" 2
524 2 69 ILE QG 2 70 ILE H 4.090 . 6.380 4.111 3.975 4.192 . 0 0 "[ . 1 .]" 2
525 2 70 ILE H 2 70 ILE QG 4.090 . 6.380 2.037 1.963 2.181 . 0 0 "[ . 1 .]" 2
526 2 71 MET H 2 71 MET HG3 3.650 . 5.500 4.044 2.883 4.854 . 0 0 "[ . 1 .]" 2
527 2 71 MET HG2 2 72 GLN H 3.650 . 5.500 4.310 3.247 5.255 . 0 0 "[ . 1 .]" 2
528 2 71 MET HG3 2 72 GLN H 3.650 . 5.500 4.926 3.886 5.540 0.040 11 0 "[ . 1 .]" 2
529 2 72 GLN H 2 72 GLN HG2 3.650 . 5.500 4.520 4.398 4.700 . 0 0 "[ . 1 .]" 2
530 2 72 GLN H 2 72 GLN HG3 3.650 . 5.500 4.322 3.916 4.633 . 0 0 "[ . 1 .]" 2
531 2 78 LEU H 2 78 LEU HG 3.650 . 5.500 4.738 4.391 5.044 . 0 0 "[ . 1 .]" 2
532 2 99 GLU H 2 99 GLU HG3 3.295 . 4.790 3.449 2.614 4.121 . 0 0 "[ . 1 .]" 2
533 2 99 GLU H 2 99 GLU HG2 3.650 . 5.500 4.127 2.610 4.973 . 0 0 "[ . 1 .]" 2
534 2 99 GLU HG3 2 100 ASN H 3.650 . 5.500 4.695 3.698 5.470 . 0 0 "[ . 1 .]" 2
535 2 99 GLU HG2 2 100 ASN H 3.650 . 5.500 4.445 3.599 5.344 . 0 0 "[ . 1 .]" 2
536 2 103 MET H 2 103 MET HG2 3.650 . 5.500 4.289 2.324 5.170 . 0 0 "[ . 1 .]" 2
537 2 103 MET H 2 103 MET HG3 3.650 . 5.500 3.994 2.170 5.181 . 0 0 "[ . 1 .]" 2
538 2 106 ILE H 2 106 ILE QG 4.090 . 6.380 3.956 3.938 3.998 . 0 0 "[ . 1 .]" 2
539 2 106 ILE QG 2 107 CYS H 3.900 . 6.000 2.627 2.131 2.951 . 0 0 "[ . 1 .]" 2
540 2 112 LEU H 2 112 LEU HG 3.650 . 5.500 4.114 3.954 4.228 . 0 0 "[ . 1 .]" 2
541 2 2 GLU H 2 2 GLU HG3 3.650 . 5.500 4.604 4.210 4.955 . 0 0 "[ . 1 .]" 2
542 2 2 GLU H 2 2 GLU HG2 3.650 . 5.500 4.537 4.301 4.843 . 0 0 "[ . 1 .]" 2
543 2 9 GLU H 2 9 GLU HG2 3.650 . 5.500 3.147 2.002 3.971 . 0 0 "[ . 1 .]" 2
544 2 9 GLU H 2 9 GLU HG3 3.650 . 5.500 3.265 2.120 4.306 . 0 0 "[ . 1 .]" 2
545 2 10 GLU H 2 10 GLU HG2 3.650 . 5.500 4.455 4.287 4.652 . 0 0 "[ . 1 .]" 2
546 2 10 GLU H 2 10 GLU HG3 3.650 . 5.500 4.402 4.038 4.607 . 0 0 "[ . 1 .]" 2
547 2 10 GLU HG2 2 11 ALA H 3.650 . 5.500 3.209 2.217 4.633 . 0 0 "[ . 1 .]" 2
548 2 10 GLU HG3 2 11 ALA H 3.650 . 5.500 3.873 2.224 4.673 . 0 0 "[ . 1 .]" 2
549 2 59 ASN H 2 59 ASN HD21 3.650 . 5.500 4.023 3.142 5.408 . 0 0 "[ . 1 .]" 2
550 2 59 ASN HA 2 59 ASN HD22 3.650 . 5.500 5.122 5.060 5.371 . 0 0 "[ . 1 .]" 2
551 2 59 ASN HA 2 59 ASN HD21 3.650 . 5.500 4.073 3.945 4.604 . 0 0 "[ . 1 .]" 2
552 2 59 ASN H 2 59 ASN HD22 3.650 . 5.500 4.936 4.503 5.521 0.021 15 0 "[ . 1 .]" 2
553 2 42 GLN HA 2 42 GLN HE21 3.650 . 5.500 2.922 1.990 4.779 . 0 0 "[ . 1 .]" 2
554 2 42 GLN HB2 2 42 GLN HE21 3.650 . 5.500 3.812 2.669 4.501 . 0 0 "[ . 1 .]" 2
555 2 42 GLN HB3 2 42 GLN HE21 3.650 . 5.500 3.882 2.121 4.448 . 0 0 "[ . 1 .]" 2
556 2 42 GLN HA 2 42 GLN HE22 3.650 . 5.500 3.755 2.900 4.952 . 0 0 "[ . 1 .]" 2
557 2 42 GLN HB3 2 42 GLN HE22 3.650 . 5.500 4.756 3.750 5.303 . 0 0 "[ . 1 .]" 2
558 2 42 GLN HB2 2 42 GLN HE22 3.650 . 5.500 4.628 3.848 5.247 . 0 0 "[ . 1 .]" 2
559 2 43 TRP H 2 43 TRP HE1 3.650 . 5.500 5.455 5.280 5.571 0.071 8 0 "[ . 1 .]" 2
560 2 86 TRP H 2 86 TRP HE1 3.650 . 5.500 5.344 4.851 5.539 0.039 4 0 "[ . 1 .]" 2
561 2 26 ILE QG 2 98 TRP HE1 4.090 . 6.380 3.873 3.497 4.327 . 0 0 "[ . 1 .]" 2
562 2 114 ILE H 2 114 ILE QG 4.090 . 6.380 2.662 2.476 2.906 . 0 0 "[ . 1 .]" 2
563 2 110 PHE QE 2 111 GLY H 4.710 . 7.620 6.395 6.071 6.748 . 0 0 "[ . 1 .]" 2
564 2 110 PHE H 2 110 PHE QE 4.710 . 7.620 4.879 4.471 5.229 . 0 0 "[ . 1 .]" 2
565 2 106 ILE QG 2 108 THR H 4.090 . 6.380 3.990 3.766 4.114 . 0 0 "[ . 1 .]" 2
566 2 103 MET H 2 104 TYR QD 4.720 . 7.640 4.776 3.225 5.444 . 0 0 "[ . 1 .]" 2
567 2 102 SER H 2 104 TYR QD 4.720 . 7.640 5.509 4.213 6.465 . 0 0 "[ . 1 .]" 2
568 2 100 ASN H 2 104 TYR QD 4.720 . 7.640 4.246 3.061 6.129 . 0 0 "[ . 1 .]" 2
569 2 26 ILE HA 2 98 TRP HE1 3.650 . 5.500 5.236 4.918 5.610 0.110 6 0 "[ . 1 .]" 2
570 2 27 ASP HA 2 98 TRP HE1 3.650 . 5.500 5.185 4.754 5.459 . 0 0 "[ . 1 .]" 2
571 2 98 TRP H 2 104 TYR QD 4.720 . 7.640 6.179 5.420 6.697 . 0 0 "[ . 1 .]" 2
572 2 93 SER H 2 110 PHE QE 4.710 . 7.620 4.852 3.860 5.854 . 0 0 "[ . 1 .]" 2
573 2 92 GLY H 2 112 LEU HG 3.650 . 5.500 4.429 3.727 5.005 . 0 0 "[ . 1 .]" 2
574 2 92 GLY H 2 110 PHE QE 4.710 . 7.620 5.774 4.043 7.083 . 0 0 "[ . 1 .]" 2
575 2 86 TRP H 2 86 TRP HE3 3.650 . 5.500 4.773 2.798 5.536 0.036 11 0 "[ . 1 .]" 2
576 2 62 PHE QD 2 63 LYS H 4.710 . 7.620 3.790 2.252 4.249 . 0 0 "[ . 1 .]" 2
577 2 49 GLU H 2 50 HIS HD2 3.650 . 5.500 4.380 3.700 4.731 . 0 0 "[ . 1 .]" 2
578 2 50 HIS H 2 50 HIS HD2 3.650 . 5.500 3.092 2.403 3.439 . 0 0 "[ . 1 .]" 2
579 2 48 LEU H 2 50 HIS HD2 3.650 . 5.500 5.518 5.439 5.572 0.072 10 0 "[ . 1 .]" 2
580 2 39 LYS HA 2 43 TRP HE1 3.650 . 5.500 5.221 5.115 5.374 . 0 0 "[ . 1 .]" 2
581 2 39 LYS HB3 2 43 TRP HE1 3.650 . 5.500 2.570 2.425 2.720 . 0 0 "[ . 1 .]" 2
582 2 34 GLN HE22 2 35 TYR H 3.650 . 5.500 5.142 3.526 5.507 0.007 7 0 "[ . 1 .]" 2
583 2 33 GLN H 2 33 GLN HG3 3.650 . 5.500 4.602 4.440 5.150 . 0 0 "[ . 1 .]" 2
584 2 23 LYS H 2 98 TRP HZ2 3.650 . 5.500 5.232 2.752 5.689 0.189 13 0 "[ . 1 .]" 2
585 2 36 SER H 2 43 TRP HD1 3.650 . 5.500 4.889 4.039 5.884 0.384 14 0 "[ . 1 .]" 2
586 2 35 TYR QE 2 36 SER H 4.715 . 7.630 4.848 4.303 5.123 . 0 0 "[ . 1 .]" 2
587 2 43 TRP HA 2 43 TRP HE1 3.650 . 5.500 5.185 4.572 5.644 0.144 9 0 "[ . 1 .]" 2
588 2 26 ILE QG 2 29 VAL H 4.090 . 6.380 5.085 4.890 5.261 . 0 0 "[ . 1 .]" 2
589 2 13 PHE QE 2 14 VAL H 4.710 . 7.620 6.209 4.585 6.692 . 0 0 "[ . 1 .]" 2
590 2 13 PHE QD 2 14 VAL H 4.710 . 7.620 4.341 2.963 4.887 . 0 0 "[ . 1 .]" 2
591 2 37 GLU H 2 37 GLU HG2 3.650 . 5.500 4.602 4.580 4.621 . 0 0 "[ . 1 .]" 2
592 2 37 GLU H 2 37 GLU HG3 3.650 . 5.500 4.408 4.399 4.422 . 0 0 "[ . 1 .]" 2
593 2 37 GLU HG2 2 38 ALA H 3.650 . 5.500 4.230 4.163 4.524 . 0 0 "[ . 1 .]" 2
594 2 37 GLU HG3 2 38 ALA H 3.650 . 5.500 4.173 4.158 4.201 . 0 0 "[ . 1 .]" 2
595 2 53 LYS H 2 53 LYS HD3 3.650 . 5.500 3.969 3.728 4.487 . 0 0 "[ . 1 .]" 2
596 2 69 ILE H 2 106 ILE HB 3.650 . 5.500 4.877 4.736 5.040 . 0 0 "[ . 1 .]" 2
597 2 69 ILE HB 2 106 ILE H 3.650 . 5.500 4.046 3.859 4.227 . 0 0 "[ . 1 .]" 2
598 2 26 ILE QG 2 98 TRP H 4.090 . 6.380 5.431 5.142 5.547 . 0 0 "[ . 1 .]" 2
599 2 33 GLN H 2 33 GLN HG2 3.650 . 5.500 4.921 4.494 5.106 . 0 0 "[ . 1 .]" 2
600 2 99 GLU H 2 104 TYR QD 4.720 . 7.640 5.552 4.884 6.258 . 0 0 "[ . 1 .]" 2
601 2 94 ARG H 2 110 PHE QE 4.710 . 7.620 3.868 3.431 5.266 . 0 0 "[ . 1 .]" 2
602 2 30 LEU HA 2 43 TRP HE1 3.650 . 5.500 3.937 3.772 4.095 . 0 0 "[ . 1 .]" 2
603 2 32 ASN HD22 2 43 TRP HE1 3.650 . 5.500 4.025 3.100 4.449 . 0 0 "[ . 1 .]" 2
604 2 32 ASN HD21 2 43 TRP HE1 3.650 . 5.500 5.477 4.817 5.581 0.081 6 0 "[ . 1 .]" 2
605 2 39 LYS HB2 2 43 TRP HE1 3.650 . 5.500 3.411 3.073 3.617 . 0 0 "[ . 1 .]" 2
606 2 39 LYS HG2 2 43 TRP HE1 3.650 . 5.500 3.171 2.998 3.517 . 0 0 "[ . 1 .]" 2
607 2 39 LYS HG3 2 43 TRP HE1 3.650 . 5.500 4.180 3.742 4.792 . 0 0 "[ . 1 .]" 2
608 2 39 LYS HD2 2 43 TRP HE1 3.650 . 5.500 5.564 5.537 5.620 0.120 2 0 "[ . 1 .]" 2
609 2 39 LYS HD3 2 43 TRP HE1 3.650 . 5.500 5.545 5.519 5.566 0.066 7 0 "[ . 1 .]" 2
610 2 39 LYS HE2 2 43 TRP HE1 3.650 . 5.500 5.180 4.304 5.503 0.003 11 0 "[ . 1 .]" 2
611 2 39 LYS HE3 2 43 TRP HE1 3.650 . 5.500 4.278 3.460 4.966 . 0 0 "[ . 1 .]" 2
612 2 23 LYS HD3 2 98 TRP HE1 3.650 . 5.500 5.037 4.415 5.592 0.092 6 0 "[ . 1 .]" 2
613 2 23 LYS HD2 2 98 TRP HE1 3.650 . 5.500 5.227 4.489 5.599 0.099 2 0 "[ . 1 .]" 2
614 2 23 LYS HG3 2 98 TRP HE1 3.650 . 5.500 4.136 3.413 5.116 . 0 0 "[ . 1 .]" 2
615 2 23 LYS HG2 2 98 TRP HE1 3.650 . 5.500 2.940 2.079 3.905 . 0 0 "[ . 1 .]" 2
616 2 27 ASP HB3 2 98 TRP HE1 3.650 . 5.500 5.612 5.518 5.722 0.222 11 0 "[ . 1 .]" 2
617 2 27 ASP HB2 2 98 TRP HE1 3.650 . 5.500 4.552 3.973 5.201 . 0 0 "[ . 1 .]" 2
618 2 39 LYS HG2 2 43 TRP H 3.650 . 5.500 5.200 4.990 5.364 . 0 0 "[ . 1 .]" 2
619 2 39 LYS HG3 2 43 TRP H 3.650 . 5.500 4.045 3.760 4.409 . 0 0 "[ . 1 .]" 2
620 2 40 VAL HA 2 43 TRP HE1 3.650 . 5.500 5.436 5.096 5.602 0.102 13 0 "[ . 1 .]" 2
621 2 52 ILE QG 2 54 ARG H 4.090 . 6.380 5.640 4.922 5.837 . 0 0 "[ . 1 .]" 2
622 2 14 VAL H 2 94 ARG HB2 3.650 . 5.500 5.307 4.430 5.540 0.040 12 0 "[ . 1 .]" 2
623 2 14 VAL H 2 94 ARG HB3 3.650 . 5.500 4.335 3.387 5.413 . 0 0 "[ . 1 .]" 2
624 2 14 VAL H 2 94 ARG HD2 3.650 . 5.500 3.987 2.104 5.249 . 0 0 "[ . 1 .]" 2
625 2 14 VAL H 2 94 ARG HD3 3.650 . 5.500 3.869 2.164 5.500 0.000 15 0 "[ . 1 .]" 2
626 2 67 THR H 2 108 THR HB 3.650 . 5.500 5.324 5.095 5.521 0.021 10 0 "[ . 1 .]" 2
627 2 65 VAL HB 2 110 PHE H 3.650 . 5.500 3.780 2.751 5.747 0.247 15 0 "[ . 1 .]" 2
628 2 43 TRP H 2 43 TRP HE3 3.650 . 5.500 4.413 4.028 4.608 . 0 0 "[ . 1 .]" 2
629 2 97 ARG HD2 2 98 TRP H 3.650 . 5.500 4.752 3.760 5.292 . 0 0 "[ . 1 .]" 2
630 2 97 ARG HD3 2 98 TRP H 3.650 . 5.500 4.681 3.414 5.497 . 0 0 "[ . 1 .]" 2
631 2 94 ARG HB2 2 109 VAL H 3.650 . 5.500 3.707 2.998 4.485 . 0 0 "[ . 1 .]" 2
632 2 94 ARG HB3 2 109 VAL H 3.650 . 5.500 4.381 3.635 4.961 . 0 0 "[ . 1 .]" 2
633 2 94 ARG H 2 94 ARG HD2 3.650 . 5.500 4.809 3.694 5.530 0.030 13 0 "[ . 1 .]" 2
634 2 94 ARG H 2 94 ARG HD3 3.650 . 5.500 4.886 3.993 5.563 0.063 9 0 "[ . 1 .]" 2
635 2 73 LYS HE2 2 74 ASN H 3.650 . 5.500 4.642 3.510 5.525 0.025 3 0 "[ . 1 .]" 2
636 2 73 LYS HE3 2 74 ASN H 3.650 . 5.500 4.821 3.539 5.510 0.010 3 0 "[ . 1 .]" 2
637 2 34 GLN HE21 2 35 TYR H 3.650 . 5.500 4.220 1.998 5.114 . 0 0 "[ . 1 .]" 2
638 2 34 GLN HG2 2 35 TYR H 3.650 . 5.500 2.519 1.998 3.676 . 0 0 "[ . 1 .]" 2
639 2 34 GLN HG3 2 35 TYR H 3.650 . 5.500 2.609 1.963 3.650 . 0 0 "[ . 1 .]" 2
640 2 35 TYR QD 2 36 SER H 4.720 . 7.640 3.502 2.314 3.976 . 0 0 "[ . 1 .]" 2
641 2 108 THR H 2 110 PHE QD 4.710 . 7.620 5.849 5.447 6.445 . 0 0 "[ . 1 .]" 2
642 2 109 VAL H 2 110 PHE QD 4.710 . 7.620 3.801 3.440 4.845 . 0 0 "[ . 1 .]" 2
643 2 110 PHE QD 2 111 GLY H 4.710 . 7.620 4.561 4.210 4.773 . 0 0 "[ . 1 .]" 2
644 2 35 TYR H 2 35 TYR QE 4.715 . 7.630 6.208 6.093 6.244 . 0 0 "[ . 1 .]" 2
645 2 35 TYR QD 2 39 LYS H 4.720 . 7.640 6.480 5.589 7.036 . 0 0 "[ . 1 .]" 2
646 2 112 LEU HG 2 113 ALA H 3.650 . 5.500 4.389 4.141 4.564 . 0 0 "[ . 1 .]" 2
647 2 91 ASP H 2 112 LEU HG 3.650 . 5.500 3.784 2.520 4.190 . 0 0 "[ . 1 .]" 2
648 2 90 THR H 2 112 LEU HG 3.650 . 5.500 4.558 4.461 4.662 . 0 0 "[ . 1 .]" 2
649 2 64 TYR QD 2 65 VAL H 4.720 . 7.640 4.215 2.832 4.777 . 0 0 "[ . 1 .]" 2
650 2 64 TYR QD 2 112 LEU H 4.720 . 7.640 4.325 3.785 4.902 . 0 0 "[ . 1 .]" 2
651 2 78 LEU HG 2 79 HIS H 3.650 . 5.500 3.472 2.326 4.663 . 0 0 "[ . 1 .]" 2
652 2 51 CYS H 2 52 ILE QG 4.090 . 6.380 5.648 5.579 5.817 . 0 0 "[ . 1 .]" 2
653 2 43 TRP HE3 2 44 THR H 3.650 . 5.500 4.901 4.339 5.303 . 0 0 "[ . 1 .]" 2
654 2 96 VAL H 2 106 ILE QG 4.090 . 6.380 2.942 2.874 3.009 . 0 0 "[ . 1 .]" 2
655 2 96 VAL H 2 106 ILE HB 3.650 . 5.500 5.500 5.366 5.556 0.056 14 0 "[ . 1 .]" 2
656 2 94 ARG H 2 108 THR HB 3.650 . 5.500 5.262 4.968 5.529 0.029 10 0 "[ . 1 .]" 2
657 2 98 TRP H 2 106 ILE QG 4.090 . 6.380 4.887 4.388 5.181 . 0 0 "[ . 1 .]" 2
658 2 98 TRP H 2 106 ILE HB 3.650 . 5.500 4.519 4.254 4.672 . 0 0 "[ . 1 .]" 2
659 2 69 ILE H 2 106 ILE QG 4.090 . 6.380 3.679 3.339 4.022 . 0 0 "[ . 1 .]" 2
660 2 61 PRO HB2 2 114 ILE H 3.650 . 5.500 3.998 2.401 4.951 . 0 0 "[ . 1 .]" 2
661 2 61 PRO HB3 2 114 ILE H 3.650 . 5.500 5.098 3.524 5.674 0.174 15 0 "[ . 1 .]" 2
662 2 29 VAL MG1 2 30 LEU H 4.165 . 6.530 3.670 3.612 3.737 . 0 0 "[ . 1 .]" 2
663 2 29 VAL MG2 2 30 LEU H 3.745 . 5.690 4.453 4.410 4.501 . 0 0 "[ . 1 .]" 2
664 2 18 VAL MG2 2 19 SER H 4.165 . 6.530 3.732 3.675 3.791 . 0 0 "[ . 1 .]" 2
665 2 18 VAL MG1 2 19 SER H 4.165 . 6.530 3.800 3.759 3.842 . 0 0 "[ . 1 .]" 2
666 2 21 ILE H 2 21 ILE MD 3.495 . 5.190 3.500 3.358 3.614 . 0 0 "[ . 1 .]" 2
667 2 21 ILE MD 2 22 ILE H 3.575 . 5.350 4.373 4.138 4.466 . 0 0 "[ . 1 .]" 2
668 2 21 ILE MG 2 22 ILE H 4.010 . 6.220 3.135 3.003 3.377 . 0 0 "[ . 1 .]" 2
669 2 26 ILE H 2 26 ILE MD 3.590 . 5.380 2.120 1.914 2.459 . 0 0 "[ . 1 .]" 2
670 2 26 ILE MD 2 27 ASP H 3.635 . 5.470 4.115 3.960 4.423 . 0 0 "[ . 1 .]" 2
671 2 26 ILE MG 2 27 ASP H 4.165 . 6.530 3.063 2.689 3.290 . 0 0 "[ . 1 .]" 2
672 2 30 LEU H 2 30 LEU MD1 4.165 . 6.530 3.996 3.919 4.061 . 0 0 "[ . 1 .]" 2
673 2 30 LEU H 2 30 LEU MD2 4.165 . 6.530 2.551 2.370 2.728 . 0 0 "[ . 1 .]" 2
674 2 30 LEU MD2 2 31 GLN H 4.165 . 6.530 3.992 3.910 4.059 . 0 0 "[ . 1 .]" 2
675 2 30 LEU MD1 2 31 GLN H 4.165 . 6.530 4.746 4.665 4.836 . 0 0 "[ . 1 .]" 2
676 2 38 ALA MB 2 40 VAL H 4.165 . 6.530 4.437 4.376 4.657 . 0 0 "[ . 1 .]" 2
677 2 40 VAL MG1 2 41 SER H 3.885 . 5.970 3.379 3.101 4.091 . 0 0 "[ . 1 .]" 2
678 2 40 VAL MG2 2 41 SER H 4.165 . 6.530 3.988 2.030 4.339 . 0 0 "[ . 1 .]" 2
679 2 44 THR MG 2 45 SER H 4.150 . 6.500 2.477 2.119 2.736 . 0 0 "[ . 1 .]" 2
680 2 48 LEU H 2 48 LEU MD1 3.650 . 5.500 2.473 2.228 2.723 . 0 0 "[ . 1 .]" 2
681 2 48 LEU H 2 48 LEU MD2 4.165 . 6.530 3.383 3.222 3.538 . 0 0 "[ . 1 .]" 2
682 2 48 LEU MD1 2 49 GLU H 4.165 . 6.530 4.330 4.252 4.429 . 0 0 "[ . 1 .]" 2
683 2 48 LEU MD2 2 49 GLU H 3.870 . 5.940 4.704 4.606 4.778 . 0 0 "[ . 1 .]" 2
684 2 52 ILE H 2 52 ILE MD 3.870 . 5.940 4.131 3.987 4.296 . 0 0 "[ . 1 .]" 2
685 2 52 ILE MG 2 53 LYS H 4.165 . 6.530 1.891 1.842 1.944 . 0 0 "[ . 1 .]" 2
686 2 52 ILE MD 2 53 LYS H 4.165 . 6.530 3.156 2.685 3.400 . 0 0 "[ . 1 .]" 2
687 2 55 LEU H 2 55 LEU MD2 3.745 . 5.690 3.192 1.954 3.600 . 0 0 "[ . 1 .]" 2
688 2 55 LEU H 2 55 LEU MD1 4.165 . 6.530 3.557 3.148 3.909 . 0 0 "[ . 1 .]" 2
689 2 55 LEU MD2 2 56 THR H 4.025 . 6.250 4.585 4.072 4.852 . 0 0 "[ . 1 .]" 2
690 2 55 LEU MD1 2 56 THR H 4.165 . 6.530 4.621 4.073 4.840 . 0 0 "[ . 1 .]" 2
691 2 56 THR MG 2 57 ALA H 4.165 . 6.530 3.691 3.391 3.969 . 0 0 "[ . 1 .]" 2
692 2 58 LEU H 2 58 LEU MD1 4.165 . 6.530 3.348 2.399 4.059 . 0 0 "[ . 1 .]" 2
693 2 58 LEU H 2 58 LEU MD2 4.165 . 6.530 3.702 2.202 4.433 . 0 0 "[ . 1 .]" 2
694 2 58 LEU MD1 2 59 ASN H 4.165 . 6.530 4.585 4.221 4.852 . 0 0 "[ . 1 .]" 2
695 2 58 LEU MD2 2 59 ASN H 4.165 . 6.530 4.656 4.116 5.040 . 0 0 "[ . 1 .]" 2
696 2 65 VAL MG2 2 66 VAL H 4.165 . 6.530 3.416 2.612 4.266 . 0 0 "[ . 1 .]" 2
697 2 65 VAL MG1 2 66 VAL H 4.165 . 6.530 3.060 2.286 4.251 . 0 0 "[ . 1 .]" 2
698 2 65 VAL MG1 2 67 THR H 4.165 . 6.530 4.208 3.297 5.205 . 0 0 "[ . 1 .]" 2
699 2 65 VAL MG2 2 67 THR H 4.165 . 6.530 5.163 4.144 5.687 . 0 0 "[ . 1 .]" 2
700 2 67 THR MG 2 68 CYS H 4.165 . 6.530 3.870 3.689 4.054 . 0 0 "[ . 1 .]" 2
701 2 69 ILE H 2 69 ILE MD 4.150 . 6.500 2.848 2.075 3.842 . 0 0 "[ . 1 .]" 2
702 2 69 ILE MD 2 70 ILE H 4.165 . 6.530 5.051 4.791 5.346 . 0 0 "[ . 1 .]" 2
703 2 69 ILE MG 2 70 ILE H 4.165 . 6.530 2.652 2.203 2.925 . 0 0 "[ . 1 .]" 2
704 2 70 ILE H 2 70 ILE MD 4.165 . 6.530 3.478 1.954 3.831 . 0 0 "[ . 1 .]" 2
705 2 78 LEU H 2 78 LEU MD1 4.165 . 6.530 4.435 3.845 4.720 . 0 0 "[ . 1 .]" 2
706 2 78 LEU H 2 78 LEU MD2 4.165 . 6.530 4.172 3.821 4.499 . 0 0 "[ . 1 .]" 2
707 2 80 THR MG 2 81 ALA H 4.165 . 6.530 1.975 1.950 2.048 . 0 0 "[ . 1 .]" 2
708 2 89 THR MG 2 90 THR H 4.165 . 6.530 2.031 1.888 2.952 . 0 0 "[ . 1 .]" 2
709 2 95 THR MG 2 96 VAL H 3.885 . 5.970 3.466 3.198 3.743 . 0 0 "[ . 1 .]" 2
710 2 96 VAL MG1 2 97 ARG H 4.055 . 6.310 2.574 2.134 3.009 . 0 0 "[ . 1 .]" 2
711 2 96 VAL MG2 2 97 ARG H 4.055 . 6.310 4.110 3.768 4.252 . 0 0 "[ . 1 .]" 2
712 2 98 TRP H 2 106 ILE MD 4.165 . 6.530 5.361 5.184 5.464 . 0 0 "[ . 1 .]" 2
713 2 98 TRP H 2 106 ILE MG 4.165 . 6.530 5.193 4.990 5.425 . 0 0 "[ . 1 .]" 2
714 2 95 THR MG 2 97 ARG H 4.165 . 6.530 4.476 3.791 5.192 . 0 0 "[ . 1 .]" 2
715 2 106 ILE H 2 106 ILE MD 4.165 . 6.530 4.546 4.495 4.646 . 0 0 "[ . 1 .]" 2
716 2 106 ILE MG 2 107 CYS H 4.135 . 6.470 4.132 3.979 4.240 . 0 0 "[ . 1 .]" 2
717 2 106 ILE MD 2 107 CYS H 3.790 . 5.780 4.236 3.800 4.508 . 0 0 "[ . 1 .]" 2
718 2 108 THR MG 2 109 VAL H 4.165 . 6.530 3.545 3.292 3.743 . 0 0 "[ . 1 .]" 2
719 2 108 THR MG 2 110 PHE H 4.165 . 6.530 4.224 3.963 4.504 . 0 0 "[ . 1 .]" 2
720 2 109 VAL MG1 2 110 PHE H 4.165 . 6.530 2.821 2.400 2.985 . 0 0 "[ . 1 .]" 2
721 2 109 VAL MG2 2 110 PHE H 4.165 . 6.530 4.327 3.674 4.438 . 0 0 "[ . 1 .]" 2
722 2 112 LEU H 2 112 LEU MD1 4.085 . 6.370 2.238 1.994 2.405 . 0 0 "[ . 1 .]" 2
723 2 112 LEU H 2 112 LEU MD2 4.085 . 6.370 3.418 3.225 3.700 . 0 0 "[ . 1 .]" 2
724 2 112 LEU MD1 2 113 ALA H 4.165 . 6.530 4.087 3.945 4.190 . 0 0 "[ . 1 .]" 2
725 2 112 LEU MD2 2 113 ALA H 4.165 . 6.530 5.171 4.958 5.325 . 0 0 "[ . 1 .]" 2
726 2 8 VAL MG1 2 9 GLU H 4.165 . 6.530 3.686 3.531 4.098 . 0 0 "[ . 1 .]" 2
727 2 8 VAL MG2 2 9 GLU H 4.165 . 6.530 2.856 2.705 3.057 . 0 0 "[ . 1 .]" 2
728 2 18 VAL MG1 2 20 ASN H 4.165 . 6.530 5.145 5.055 5.297 . 0 0 "[ . 1 .]" 2
729 2 18 VAL MG2 2 20 ASN H 4.165 . 6.530 5.432 5.398 5.465 . 0 0 "[ . 1 .]" 2
730 2 30 LEU MD1 2 43 TRP H 4.165 . 6.530 4.343 4.061 4.651 . 0 0 "[ . 1 .]" 2
731 2 65 VAL MG2 2 112 LEU H 4.165 . 6.530 5.053 3.639 5.710 . 0 0 "[ . 1 .]" 2
732 2 109 VAL MG1 2 111 GLY H 4.165 . 6.530 4.314 3.218 4.685 . 0 0 "[ . 1 .]" 2
733 2 111 GLY H 2 112 LEU MD2 4.165 . 6.530 5.531 5.453 5.633 . 0 0 "[ . 1 .]" 2
734 2 65 VAL MG1 2 110 PHE H 4.165 . 6.530 2.924 1.879 4.736 . 0 0 "[ . 1 .]" 2
735 2 67 THR MG 2 108 THR H 4.165 . 6.530 3.380 3.058 3.685 . 0 0 "[ . 1 .]" 2
736 2 106 ILE MD 2 108 THR H 4.165 . 6.530 5.345 5.106 5.499 . 0 0 "[ . 1 .]" 2
737 2 11 ALA MB 2 95 THR H 4.165 . 6.530 4.421 3.891 4.899 . 0 0 "[ . 1 .]" 2
738 2 92 GLY H 2 112 LEU MD2 4.165 . 6.530 5.043 4.518 5.519 . 0 0 "[ . 1 .]" 2
739 2 90 THR MG 2 91 ASP H 4.165 . 6.530 4.245 3.540 4.408 . 0 0 "[ . 1 .]" 2
740 2 90 THR H 2 112 LEU MD1 4.165 . 6.530 5.456 5.266 5.559 . 0 0 "[ . 1 .]" 2
741 2 89 THR H 2 90 THR MG 4.165 . 6.530 4.277 3.646 4.998 . 0 0 "[ . 1 .]" 2
742 2 67 THR H 2 108 THR MG 4.165 . 6.530 2.931 2.619 3.160 . 0 0 "[ . 1 .]" 2
743 2 29 VAL MG2 2 46 SER H 4.070 . 6.340 3.833 3.620 3.980 . 0 0 "[ . 1 .]" 2
744 2 52 ILE MD 2 54 ARG H 4.165 . 6.530 4.722 4.463 5.402 . 0 0 "[ . 1 .]" 2
745 2 54 ARG H 2 55 LEU MD1 4.165 . 6.530 5.171 4.511 5.700 . 0 0 "[ . 1 .]" 2
746 2 54 ARG H 2 55 LEU MD2 4.165 . 6.530 5.025 3.461 5.480 . 0 0 "[ . 1 .]" 2
747 2 55 LEU H 2 56 THR MG 4.165 . 6.530 3.886 3.707 4.193 . 0 0 "[ . 1 .]" 2
748 2 52 ILE MD 2 55 LEU H 4.165 . 6.530 4.793 4.389 5.539 . 0 0 "[ . 1 .]" 2
749 2 52 ILE MD 2 56 THR H 4.165 . 6.530 3.903 3.520 4.987 . 0 0 "[ . 1 .]" 2
750 2 29 VAL MG1 2 49 GLU H 4.165 . 6.530 5.323 5.287 5.415 . 0 0 "[ . 1 .]" 2
751 2 29 VAL MG2 2 50 HIS H 4.165 . 6.530 3.762 3.626 3.996 . 0 0 "[ . 1 .]" 2
752 2 29 VAL MG2 2 47 CYS H 4.150 . 6.500 2.568 2.406 2.723 . 0 0 "[ . 1 .]" 2
753 2 29 VAL MG2 2 48 LEU H 4.165 . 6.530 4.306 4.241 4.408 . 0 0 "[ . 1 .]" 2
754 2 30 LEU MD2 2 43 TRP HE1 4.165 . 6.530 5.449 5.375 5.586 . 0 0 "[ . 1 .]" 2
755 2 30 LEU MD1 2 43 TRP HE1 4.165 . 6.530 3.854 3.467 4.281 . 0 0 "[ . 1 .]" 2
756 2 30 LEU MD2 2 43 TRP H 4.165 . 6.530 5.182 4.964 5.347 . 0 0 "[ . 1 .]" 2
757 2 39 LYS H 2 40 VAL MG1 4.165 . 6.530 5.132 3.346 5.453 . 0 0 "[ . 1 .]" 2
758 2 39 LYS H 2 40 VAL MG2 3.840 . 5.880 3.981 3.491 4.294 . 0 0 "[ . 1 .]" 2
759 2 29 VAL H 2 30 LEU MD2 4.165 . 6.530 3.433 3.257 3.601 . 0 0 "[ . 1 .]" 2
760 2 23 LYS H 2 96 VAL MG1 4.165 . 6.530 4.513 3.947 5.103 . 0 0 "[ . 1 .]" 2
761 2 11 ALA H 2 96 VAL MG1 4.165 . 6.530 2.668 2.240 3.225 . 0 0 "[ . 1 .]" 2
762 2 4 VAL MG2 2 5 ASP H 4.165 . 6.530 4.125 3.898 4.240 . 0 0 "[ . 1 .]" 2
763 2 29 VAL H 2 30 LEU MD1 4.165 . 6.530 5.575 5.484 5.613 . 0 0 "[ . 1 .]" 2
764 2 4 VAL MG1 2 5 ASP H 4.165 . 6.530 2.594 1.956 3.075 . 0 0 "[ . 1 .]" 2
765 2 29 VAL MG2 2 49 GLU H 4.165 . 6.530 4.621 4.548 4.760 . 0 0 "[ . 1 .]" 2
766 2 66 VAL MG2 2 67 THR H 4.150 . 6.500 4.352 4.230 4.454 . 0 0 "[ . 1 .]" 2
767 2 66 VAL MG1 2 67 THR H 4.150 . 6.500 2.865 2.484 3.121 . 0 0 "[ . 1 .]" 2
768 2 114 ILE H 2 114 ILE MD 4.115 . 6.430 3.627 2.645 4.312 . 0 0 "[ . 1 .]" 2
769 2 69 ILE H 2 106 ILE MG 4.165 . 6.530 2.085 1.939 2.285 . 0 0 "[ . 1 .]" 2
770 2 69 ILE MG 2 106 ILE H 4.165 . 6.530 4.325 4.069 4.725 . 0 0 "[ . 1 .]" 2
771 2 11 ALA H 2 96 VAL MG2 4.165 . 6.530 4.103 3.482 4.979 . 0 0 "[ . 1 .]" 2
772 2 7 ALA MB 2 10 GLU H 4.165 . 6.530 4.156 3.366 4.688 . 0 0 "[ . 1 .]" 2
773 2 91 ASP H 2 112 LEU MD1 4.165 . 6.530 3.756 3.454 4.566 . 0 0 "[ . 1 .]" 2
774 2 92 GLY H 2 112 LEU MD1 4.165 . 6.530 2.809 2.096 3.249 . 0 0 "[ . 1 .]" 2
775 2 111 GLY H 2 112 LEU MD1 4.165 . 6.530 3.252 3.115 3.418 . 0 0 "[ . 1 .]" 2
776 2 5 ASP H 2 8 VAL MG2 4.165 . 6.530 4.080 3.820 4.434 . 0 0 "[ . 1 .]" 2
777 2 5 ASP H 2 8 VAL MG1 4.165 . 6.530 5.269 5.038 5.553 . 0 0 "[ . 1 .]" 2
778 2 47 CYS H 2 48 LEU MD2 4.165 . 6.530 4.984 4.783 5.191 . 0 0 "[ . 1 .]" 2
779 2 47 CYS H 2 48 LEU MD1 4.165 . 6.530 4.255 4.054 4.520 . 0 0 "[ . 1 .]" 2
780 2 63 LYS H 2 114 ILE MD 4.165 . 6.530 4.458 2.911 5.320 . 0 0 "[ . 1 .]" 2
781 2 63 LYS H 2 114 ILE MG 4.165 . 6.530 4.574 3.808 5.217 . 0 0 "[ . 1 .]" 2
782 2 65 VAL MG2 2 110 PHE H 4.165 . 6.530 3.999 3.531 4.347 . 0 0 "[ . 1 .]" 2
783 2 29 VAL MG2 2 45 SER H 4.165 . 6.530 5.391 5.320 5.480 . 0 0 "[ . 1 .]" 2
784 2 23 LYS H 2 96 VAL MG2 4.165 . 6.530 4.551 3.944 5.247 . 0 0 "[ . 1 .]" 2
785 2 89 THR MG 2 91 ASP H 4.165 . 6.530 4.604 3.920 4.941 . 0 0 "[ . 1 .]" 2
786 2 7 ALA MB 2 9 GLU H 4.165 . 6.530 4.190 3.601 5.148 . 0 0 "[ . 1 .]" 2
787 2 66 VAL H 2 67 THR MG 4.165 . 6.530 4.677 4.447 5.243 . 0 0 "[ . 1 .]" 2
788 2 91 ASP H 2 112 LEU MD2 4.165 . 6.530 5.124 3.617 5.526 . 0 0 "[ . 1 .]" 2
789 2 109 VAL MG2 2 111 GLY H 4.165 . 6.530 5.582 5.531 5.716 . 0 0 "[ . 1 .]" 2
790 2 90 THR H 2 112 LEU MD2 4.165 . 6.530 5.431 5.263 5.609 . 0 0 "[ . 1 .]" 2
791 2 78 LEU MD1 2 79 HIS H 4.165 . 6.530 3.494 1.880 5.060 . 0 0 "[ . 1 .]" 2
792 2 78 LEU MD2 2 79 HIS H 4.165 . 6.530 3.251 2.009 4.909 . 0 0 "[ . 1 .]" 2
793 2 93 SER H 2 112 LEU MD2 4.165 . 6.530 5.398 5.296 5.465 . 0 0 "[ . 1 .]" 2
794 2 93 SER H 2 112 LEU MD1 4.165 . 6.530 3.256 3.038 3.424 . 0 0 "[ . 1 .]" 2
795 2 51 CYS H 2 52 ILE MD 4.165 . 6.530 5.460 5.285 5.545 . 0 0 "[ . 1 .]" 2
796 2 106 ILE MG 2 108 THR H 4.165 . 6.530 5.034 4.763 5.164 . 0 0 "[ . 1 .]" 2
797 2 96 VAL H 2 106 ILE MG 4.165 . 6.530 5.479 5.430 5.508 . 0 0 "[ . 1 .]" 2
798 2 96 VAL H 2 106 ILE MD 4.165 . 6.530 3.866 3.622 4.034 . 0 0 "[ . 1 .]" 2
799 2 94 ARG H 2 108 THR MG 4.165 . 6.530 4.237 3.710 4.609 . 0 0 "[ . 1 .]" 2
800 2 95 THR MG 2 107 CYS H 4.165 . 6.530 5.386 5.323 5.450 . 0 0 "[ . 1 .]" 2
801 2 69 ILE H 2 106 ILE MD 4.165 . 6.530 5.037 4.777 5.258 . 0 0 "[ . 1 .]" 2
802 2 69 ILE MD 2 106 ILE H 4.165 . 6.530 5.085 4.675 5.342 . 0 0 "[ . 1 .]" 2
803 2 59 ASN HA 2 59 ASN HB3 2.160 . 2.520 2.427 2.350 2.474 . 0 0 "[ . 1 .]" 2
804 2 59 ASN HA 2 59 ASN HB2 2.160 . 2.520 2.467 2.423 2.571 0.051 5 0 "[ . 1 .]" 2
805 2 10 GLU HA 2 10 GLU HB2 2.425 . 3.050 2.604 2.480 2.721 . 0 0 "[ . 1 .]" 2
806 2 89 THR HA 2 89 THR HB 2.270 . 2.740 2.425 2.325 2.471 . 0 0 "[ . 1 .]" 2
807 2 56 THR HA 2 56 THR HB 2.130 . 2.460 2.370 2.308 2.443 . 0 0 "[ . 1 .]" 2
808 2 67 THR HA 2 67 THR HB 2.315 . 2.830 2.378 2.358 2.391 . 0 0 "[ . 1 .]" 2
809 2 20 ASN HA 2 20 ASN HB3 2.285 . 2.770 2.499 2.313 2.699 . 0 0 "[ . 1 .]" 2
810 2 20 ASN HA 2 20 ASN HB2 2.285 . 2.770 2.414 2.267 2.601 . 0 0 "[ . 1 .]" 2
811 2 87 ASP HA 2 87 ASP HB3 2.380 . 2.960 2.960 2.954 2.989 0.029 11 0 "[ . 1 .]" 2
812 2 100 ASN HA 2 100 ASN HB3 2.285 . 2.770 2.315 2.274 2.360 . 0 0 "[ . 1 .]" 2
813 2 100 ASN HA 2 100 ASN HB2 2.285 . 2.770 2.618 2.556 2.672 . 0 0 "[ . 1 .]" 2
814 2 84 CYS HA 2 84 CYS HB2 2.315 . 2.830 2.834 2.510 2.995 0.165 10 0 "[ . 1 .]" 2
815 2 84 CYS HA 2 84 CYS HB3 2.315 . 2.830 2.512 2.352 2.954 0.124 9 0 "[ . 1 .]" 2
816 2 34 GLN HA 2 34 GLN HB2 2.300 . 2.800 2.688 2.598 2.718 . 0 0 "[ . 1 .]" 2
817 2 68 CYS HA 2 107 CYS HA 2.750 . 3.700 2.099 1.957 2.329 . 0 0 "[ . 1 .]" 2
818 2 47 CYS HA 2 50 HIS HB2 2.830 . 3.860 2.254 2.032 2.420 . 0 0 "[ . 1 .]" 2
819 2 50 HIS HA 2 53 LYS HB3 2.970 . 4.140 4.144 4.055 4.244 0.104 5 0 "[ . 1 .]" 2
820 2 50 HIS HA 2 53 LYS HB2 2.970 . 4.140 2.709 2.562 2.790 . 0 0 "[ . 1 .]" 2
821 2 46 SER HA 2 49 GLU HB3 2.690 . 3.580 3.043 2.953 3.189 . 0 0 "[ . 1 .]" 2
822 2 46 SER HA 2 49 GLU HB2 2.625 . 3.450 3.377 3.185 3.479 0.029 10 0 "[ . 1 .]" 2
823 2 43 TRP HA 2 46 SER HB2 2.985 . 4.170 2.713 2.404 3.373 . 0 0 "[ . 1 .]" 2
824 2 18 VAL HA 2 21 ILE HB 2.285 . 2.770 2.783 2.655 2.814 0.044 15 0 "[ . 1 .]" 2
825 2 95 THR HA 2 108 THR HA 2.595 . 3.390 1.800 1.768 1.855 0.032 3 0 "[ . 1 .]" 2
826 2 97 ARG HA 2 106 ILE HA 2.660 . 3.520 2.182 1.972 2.426 . 0 0 "[ . 1 .]" 2
827 2 99 GLU HA 2 104 TYR HA 3.090 . 4.380 2.732 2.579 2.884 . 0 0 "[ . 1 .]" 2
828 2 20 ASN HA 2 23 LYS HB3 3.075 . 4.350 4.335 3.649 4.433 0.083 11 0 "[ . 1 .]" 2
829 2 20 ASN HA 2 23 LYS HB2 3.075 . 4.350 2.839 2.739 3.028 . 0 0 "[ . 1 .]" 2
830 2 21 ILE HA 2 24 GLU HB2 2.955 . 4.110 2.816 2.595 3.082 . 0 0 "[ . 1 .]" 2
831 2 21 ILE HA 2 24 GLU HB3 2.875 . 3.950 4.051 4.009 4.074 0.124 4 0 "[ . 1 .]" 2
832 2 22 ILE HA 2 25 SER HB3 3.125 . 4.450 3.555 2.632 4.205 . 0 0 "[ . 1 .]" 2
833 2 22 ILE HA 2 25 SER HB2 3.125 . 4.450 2.735 2.279 3.166 . 0 0 "[ . 1 .]" 2
834 2 23 LYS HA 2 26 ILE HB 3.045 . 4.290 2.777 2.330 3.135 . 0 0 "[ . 1 .]" 2
835 2 24 GLU HA 2 27 ASP HB3 2.565 . 3.330 2.868 2.477 3.354 0.024 14 0 "[ . 1 .]" 2
836 2 24 GLU HA 2 27 ASP HB2 2.520 . 3.240 3.324 3.280 3.380 0.140 7 0 "[ . 1 .]" 2
837 2 26 ILE HA 2 29 VAL HB 2.815 . 3.830 2.554 2.252 2.821 . 0 0 "[ . 1 .]" 2
838 2 39 LYS HA 2 42 GLN HB2 2.720 . 3.640 1.974 1.910 2.027 . 0 0 "[ . 1 .]" 2
839 2 39 LYS HA 2 42 GLN HB3 2.720 . 3.640 3.580 3.022 3.683 0.043 1 0 "[ . 1 .]" 2
840 2 37 GLU HA 2 40 VAL HB 2.845 . 3.890 2.350 1.978 4.099 0.209 7 0 "[ . 1 .]" 2
841 2 41 SER HA 2 44 THR HB 2.920 . 4.040 3.962 3.514 4.196 0.156 7 0 "[ . 1 .]" 2
842 2 42 GLN HA 2 45 SER HB3 2.815 . 3.830 3.070 2.412 3.877 0.047 3 0 "[ . 1 .]" 2
843 2 42 GLN HA 2 45 SER HB2 2.815 . 3.830 3.234 2.035 3.914 0.084 4 0 "[ . 1 .]" 2
844 2 43 TRP HA 2 46 SER HB3 2.985 . 4.170 4.164 3.944 4.322 0.152 10 0 "[ . 1 .]" 2
845 2 44 THR HA 2 47 CYS HB2 2.815 . 3.830 2.686 1.967 3.013 . 0 0 "[ . 1 .]" 2
846 2 44 THR HA 2 47 CYS HB3 2.815 . 3.830 2.376 1.895 3.508 . 0 0 "[ . 1 .]" 2
847 2 45 SER HA 2 48 LEU HB2 2.955 . 4.110 2.426 2.245 2.516 . 0 0 "[ . 1 .]" 2
848 2 45 SER HA 2 48 LEU HB3 2.890 . 3.980 3.951 3.778 4.040 0.060 14 0 "[ . 1 .]" 2
849 2 47 CYS HA 2 50 HIS HB3 2.830 . 3.860 3.829 3.642 3.913 0.053 10 0 "[ . 1 .]" 2
850 2 48 LEU HA 2 51 CYS HB2 2.580 . 3.360 2.928 2.028 3.057 . 0 0 "[ . 1 .]" 2
851 2 48 LEU HA 2 51 CYS HB3 2.580 . 3.360 2.632 2.333 3.375 0.015 2 0 "[ . 1 .]" 2
852 2 49 GLU HA 2 52 ILE HB 3.075 . 4.350 3.803 3.583 4.167 . 0 0 "[ . 1 .]" 2
853 2 51 CYS HA 2 54 ARG HB3 3.060 . 4.320 3.500 2.910 4.238 . 0 0 "[ . 1 .]" 2
854 2 51 CYS HA 2 54 ARG HB2 3.060 . 4.320 3.128 2.367 3.779 . 0 0 "[ . 1 .]" 2
855 2 93 SER HA 2 110 PHE HA 2.660 . 3.520 2.261 1.936 2.584 . 0 0 "[ . 1 .]" 2
856 2 4 VAL HA 2 101 LYS HA 3.125 . 4.450 3.007 1.987 4.368 . 0 0 "[ . 1 .]" 2
857 2 91 ASP HA 2 112 LEU HA 3.125 . 4.450 4.395 3.970 4.583 0.133 4 0 "[ . 1 .]" 2
858 2 11 ALA HA 2 96 VAL HA 3.620 . 5.440 4.385 4.055 4.998 . 0 0 "[ . 1 .]" 2
859 2 6 PRO HA 2 100 ASN HA 2.815 . 3.830 2.791 2.222 3.473 . 0 0 "[ . 1 .]" 2
860 2 60 LYS HA 2 61 PRO HB2 3.090 . 4.380 4.479 4.429 4.522 0.142 11 0 "[ . 1 .]" 2
861 2 60 LYS HA 2 61 PRO HB3 3.090 . 4.380 4.153 3.942 4.441 0.061 5 0 "[ . 1 .]" 2
862 2 10 GLU HA 2 10 GLU HG2 2.985 . 4.170 2.698 2.194 3.638 . 0 0 "[ . 1 .]" 2
863 2 103 MET HA 2 103 MET HG2 2.780 . 3.760 3.179 2.336 3.802 0.042 14 0 "[ . 1 .]" 2
864 2 103 MET HA 2 103 MET HG3 2.780 . 3.760 2.711 2.232 3.729 . 0 0 "[ . 1 .]" 2
865 2 99 GLU HB2 2 99 GLU HG3 2.350 . 2.900 2.632 2.287 2.971 0.071 9 0 "[ . 1 .]" 2
866 2 58 LEU HB3 2 58 LEU HG 2.380 . 2.960 2.639 2.385 2.986 0.026 13 0 "[ . 1 .]" 2
867 2 58 LEU HA 2 58 LEU HG 2.795 . 3.790 2.738 2.184 3.663 . 0 0 "[ . 1 .]" 2
868 2 10 GLU HA 2 10 GLU HG3 2.985 . 4.170 2.997 2.087 3.621 . 0 0 "[ . 1 .]" 2
869 2 49 GLU HA 2 49 GLU HG3 2.845 . 3.890 2.604 2.548 2.653 . 0 0 "[ . 1 .]" 2
870 2 49 GLU HA 2 49 GLU HG2 2.845 . 3.890 2.581 2.483 2.733 . 0 0 "[ . 1 .]" 2
871 2 24 GLU HA 2 24 GLU HG3 2.750 . 3.700 3.052 2.087 3.696 . 0 0 "[ . 1 .]" 2
872 2 24 GLU HA 2 24 GLU HG2 2.750 . 3.700 2.717 2.095 3.652 . 0 0 "[ . 1 .]" 2
873 2 37 GLU HA 2 37 GLU HG3 2.830 . 3.860 2.464 2.418 2.602 . 0 0 "[ . 1 .]" 2
874 2 37 GLU HA 2 37 GLU HG2 2.830 . 3.860 3.675 3.643 3.768 . 0 0 "[ . 1 .]" 2
875 2 9 GLU HA 2 9 GLU HG3 2.860 . 3.920 3.619 3.408 3.937 0.017 15 0 "[ . 1 .]" 2
876 2 9 GLU HA 2 9 GLU HG2 2.660 . 3.520 2.640 2.124 3.444 . 0 0 "[ . 1 .]" 2
877 2 2 GLU HA 2 2 GLU HG2 2.535 . 3.270 2.687 2.201 3.270 . 0 0 "[ . 1 .]" 2
878 2 2 GLU HA 2 2 GLU HG3 2.535 . 3.270 2.742 2.237 3.272 0.002 8 0 "[ . 1 .]" 2
879 2 34 GLN HB2 2 34 GLN HG3 2.425 . 3.050 2.650 2.207 3.009 . 0 0 "[ . 1 .]" 2
880 2 34 GLN HB2 2 34 GLN HG2 2.425 . 3.050 2.787 2.380 2.989 . 0 0 "[ . 1 .]" 2
881 2 31 GLN HA 2 31 GLN HG2 2.365 . 2.930 2.982 2.966 3.001 0.071 3 0 "[ . 1 .]" 2
882 2 31 GLN HB3 2 31 GLN HG2 2.300 . 2.800 2.362 2.340 2.387 . 0 0 "[ . 1 .]" 2
883 2 31 GLN HB3 2 31 GLN HG3 2.300 . 2.800 2.970 2.966 2.974 0.174 12 0 "[ . 1 .]" 2
884 2 31 GLN HA 2 31 GLN HG3 2.365 . 2.930 2.351 2.288 2.405 . 0 0 "[ . 1 .]" 2
885 2 53 LYS HA 2 53 LYS HD3 3.280 . 4.760 3.641 2.795 3.941 . 0 0 "[ . 1 .]" 2
886 2 53 LYS HA 2 53 LYS HD2 3.280 . 4.760 3.099 2.439 4.218 . 0 0 "[ . 1 .]" 2
887 2 53 LYS HA 2 53 LYS HG3 2.935 . 4.070 2.915 2.559 3.826 . 0 0 "[ . 1 .]" 2
888 2 53 LYS HA 2 53 LYS HG2 2.935 . 4.070 3.428 2.733 3.693 . 0 0 "[ . 1 .]" 2
889 2 53 LYS HB2 2 53 LYS QE 3.650 . 5.500 3.873 3.678 4.338 . 0 0 "[ . 1 .]" 2
890 2 53 LYS HB3 2 53 LYS QE 3.650 . 5.500 3.743 3.328 4.400 . 0 0 "[ . 1 .]" 2
891 2 53 LYS HA 2 53 LYS QE 2.985 . 3.930 2.194 1.928 3.365 . 0 0 "[ . 1 .]" 2
892 2 101 LYS HA 2 101 LYS HE2 3.650 . 5.500 5.264 4.523 5.527 0.027 7 0 "[ . 1 .]" 2
893 2 101 LYS HA 2 101 LYS HD3 3.650 . 5.500 4.289 2.559 5.029 . 0 0 "[ . 1 .]" 2
894 2 101 LYS HE2 2 101 LYS HG3 2.935 . 4.070 3.021 2.193 4.186 0.116 1 0 "[ . 1 .]" 2
895 2 101 LYS HD3 2 102 SER HB2 3.650 . 5.500 3.011 2.071 4.976 . 0 0 "[ . 1 .]" 2
896 2 101 LYS HD2 2 102 SER HB2 3.650 . 5.500 2.883 1.997 4.916 . 0 0 "[ . 1 .]" 2
897 2 101 LYS HB3 2 101 LYS HE3 3.465 . 5.130 3.094 1.997 4.940 . 0 0 "[ . 1 .]" 2
898 2 101 LYS HB2 2 101 LYS HE3 3.465 . 5.130 3.495 1.979 5.067 . 0 0 "[ . 1 .]" 2
899 2 101 LYS HE3 2 101 LYS HG3 2.935 . 4.070 3.239 2.791 3.625 . 0 0 "[ . 1 .]" 2
900 2 101 LYS HE3 2 101 LYS HG2 2.935 . 4.070 3.153 1.999 4.093 0.023 8 0 "[ . 1 .]" 2
901 2 101 LYS HE3 2 102 SER HB2 3.650 . 5.500 4.437 2.495 5.565 0.065 1 0 "[ . 1 .]" 2
902 2 101 LYS HE2 2 102 SER HB2 3.650 . 5.500 4.546 3.535 5.517 0.017 7 0 "[ . 1 .]" 2
903 2 101 LYS HB3 2 101 LYS HE2 3.465 . 5.130 3.650 2.180 4.598 . 0 0 "[ . 1 .]" 2
904 2 101 LYS HB2 2 101 LYS HE2 3.465 . 5.130 3.401 2.799 4.557 . 0 0 "[ . 1 .]" 2
905 2 101 LYS HE2 2 101 LYS HG2 2.935 . 4.070 3.329 2.497 3.703 . 0 0 "[ . 1 .]" 2
906 2 23 LYS HA 2 23 LYS HE3 3.650 . 5.500 4.831 4.416 5.547 0.047 14 0 "[ . 1 .]" 2
907 2 23 LYS HA 2 23 LYS HE2 3.650 . 5.500 5.076 4.614 5.389 . 0 0 "[ . 1 .]" 2
908 2 23 LYS HB3 2 23 LYS HE3 3.090 . 4.380 3.794 2.697 4.537 0.157 9 0 "[ . 1 .]" 2
909 2 23 LYS HE2 2 23 LYS HG3 2.935 . 4.070 3.099 2.023 3.960 . 0 0 "[ . 1 .]" 2
910 2 23 LYS HA 2 23 LYS HD3 3.650 . 5.500 4.524 4.326 4.841 . 0 0 "[ . 1 .]" 2
911 2 23 LYS HB2 2 23 LYS HE3 3.090 . 4.380 3.558 1.942 4.454 0.074 1 0 "[ . 1 .]" 2
912 2 23 LYS HE3 2 23 LYS HG3 2.935 . 4.070 2.975 2.421 3.348 . 0 0 "[ . 1 .]" 2
913 2 23 LYS HE3 2 23 LYS HG2 2.935 . 4.070 2.978 2.018 3.945 . 0 0 "[ . 1 .]" 2
914 2 23 LYS HB3 2 23 LYS HE2 3.090 . 4.380 3.946 3.623 4.505 0.125 9 0 "[ . 1 .]" 2
915 2 23 LYS HB2 2 23 LYS HE2 3.090 . 4.380 3.836 2.515 4.422 0.042 10 0 "[ . 1 .]" 2
916 2 23 LYS HE2 2 23 LYS HG2 2.935 . 4.070 3.127 2.730 3.783 . 0 0 "[ . 1 .]" 2
917 2 23 LYS HA 2 23 LYS HD2 3.650 . 5.500 4.529 4.391 4.668 . 0 0 "[ . 1 .]" 2
918 2 39 LYS HA 2 39 LYS HE3 3.385 . 4.970 4.642 4.464 4.902 . 0 0 "[ . 1 .]" 2
919 2 39 LYS HA 2 39 LYS HD3 3.015 . 4.230 2.535 2.192 3.049 . 0 0 "[ . 1 .]" 2
920 2 39 LYS HA 2 39 LYS HD2 3.015 . 4.230 3.602 3.281 4.039 . 0 0 "[ . 1 .]" 2
921 2 39 LYS HA 2 39 LYS HG3 2.920 . 4.040 2.340 2.133 2.463 . 0 0 "[ . 1 .]" 2
922 2 39 LYS HA 2 39 LYS HG2 2.920 . 4.040 3.548 3.448 3.594 . 0 0 "[ . 1 .]" 2
923 2 39 LYS HA 2 39 LYS HE2 3.385 . 4.970 4.323 3.982 4.822 . 0 0 "[ . 1 .]" 2
924 2 39 LYS HB3 2 39 LYS HE3 3.620 . 5.440 3.799 3.132 4.358 . 0 0 "[ . 1 .]" 2
925 2 39 LYS HB2 2 39 LYS HE3 3.620 . 5.440 2.761 1.991 3.420 . 0 0 "[ . 1 .]" 2
926 2 39 LYS HB3 2 39 LYS HE2 3.620 . 5.440 4.089 3.581 4.447 . 0 0 "[ . 1 .]" 2
927 2 39 LYS HB2 2 39 LYS HE2 3.620 . 5.440 2.552 2.029 2.918 . 0 0 "[ . 1 .]" 2
928 2 54 ARG HA 2 54 ARG HD2 3.015 . 4.230 3.444 2.958 3.933 . 0 0 "[ . 1 .]" 2
929 2 54 ARG HA 2 54 ARG HG3 2.830 . 3.860 3.158 2.412 3.594 . 0 0 "[ . 1 .]" 2
930 2 54 ARG HA 2 54 ARG HG2 2.830 . 3.860 2.936 2.112 3.767 . 0 0 "[ . 1 .]" 2
931 2 54 ARG HA 2 54 ARG HD3 3.015 . 4.230 2.816 2.193 3.942 . 0 0 "[ . 1 .]" 2
932 2 106 ILE QG 2 107 CYS HA 3.625 . 5.450 3.724 3.532 3.898 . 0 0 "[ . 1 .]" 2
933 2 69 ILE HB 2 106 ILE QG 4.090 . 6.380 3.680 3.600 3.793 . 0 0 "[ . 1 .]" 2
934 2 101 LYS HD3 2 102 SER HA 3.525 . 5.250 4.405 3.383 5.341 0.091 7 0 "[ . 1 .]" 2
935 2 101 LYS HD2 2 102 SER HA 3.525 . 5.250 4.107 2.695 5.271 0.021 10 0 "[ . 1 .]" 2
936 2 101 LYS HE3 2 102 SER HB3 3.650 . 5.500 4.226 2.869 5.450 . 0 0 "[ . 1 .]" 2
937 2 101 LYS HE2 2 102 SER HB3 3.650 . 5.500 4.693 2.959 5.533 0.033 10 0 "[ . 1 .]" 2
938 2 21 ILE HA 2 54 ARG HD3 3.650 . 5.500 5.488 5.253 5.557 0.057 8 0 "[ . 1 .]" 2
939 2 21 ILE HA 2 54 ARG HD2 3.650 . 5.500 4.922 3.944 5.570 0.070 15 0 "[ . 1 .]" 2
940 2 52 ILE QG 2 53 LYS HA 4.090 . 6.380 4.637 3.566 4.974 . 0 0 "[ . 1 .]" 2
941 2 49 GLU HG3 2 53 LYS HD3 3.650 . 5.500 3.628 2.885 5.629 0.129 6 0 "[ . 1 .]" 2
942 2 49 GLU HG2 2 53 LYS HD3 3.650 . 5.500 2.659 1.940 4.565 . 0 0 "[ . 1 .]" 2
943 2 50 HIS HA 2 53 LYS HD2 3.650 . 5.500 4.788 4.403 5.623 0.123 6 0 "[ . 1 .]" 2
944 2 49 GLU HG2 2 53 LYS QE 3.650 . 5.500 3.918 3.713 4.507 . 0 0 "[ . 1 .]" 2
945 2 49 GLU HG2 2 53 LYS HG3 3.650 . 5.500 3.798 2.132 4.389 . 0 0 "[ . 1 .]" 2
946 2 49 GLU HG2 2 53 LYS HG2 3.650 . 5.500 3.033 2.492 3.227 . 0 0 "[ . 1 .]" 2
947 2 49 GLU HG3 2 53 LYS HG3 3.650 . 5.500 5.143 3.694 5.652 0.152 2 0 "[ . 1 .]" 2
948 2 49 GLU HG3 2 53 LYS QE 3.650 . 5.500 4.282 3.932 4.905 . 0 0 "[ . 1 .]" 2
949 2 36 SER HB2 2 39 LYS HE2 3.650 . 5.500 2.588 2.042 3.071 . 0 0 "[ . 1 .]" 2
950 2 26 ILE QG 2 30 LEU HG 4.090 . 6.380 3.898 3.512 4.184 . 0 0 "[ . 1 .]" 2
951 2 23 LYS HA 2 26 ILE QG 3.870 . 5.940 4.215 3.969 4.525 . 0 0 "[ . 1 .]" 2
952 2 26 ILE QG 2 107 CYS HB3 3.590 . 5.380 4.091 3.252 4.705 . 0 0 "[ . 1 .]" 2
953 2 26 ILE QG 2 107 CYS HB2 3.590 . 5.380 4.299 3.673 4.841 . 0 0 "[ . 1 .]" 2
954 2 49 GLU HG3 2 52 ILE QG 4.090 . 6.380 5.622 5.563 5.859 . 0 0 "[ . 1 .]" 2
955 2 36 SER HB2 2 39 LYS HD2 4.525 . 7.250 4.937 4.530 5.285 . 0 0 "[ . 1 .]" 2
956 2 95 THR HB 2 108 THR HA 3.370 . 4.940 3.957 3.783 4.234 . 0 0 "[ . 1 .]" 2
957 2 95 THR HB 2 108 THR HB 3.110 . 4.420 2.692 2.410 3.006 . 0 0 "[ . 1 .]" 2
958 2 95 THR HA 2 108 THR HB 3.555 . 5.310 2.485 2.357 2.721 . 0 0 "[ . 1 .]" 2
959 2 26 ILE QG 2 29 VAL HB 3.885 . 5.970 4.086 3.693 4.391 . 0 0 "[ . 1 .]" 2
960 2 39 LYS HA 2 42 GLN HG2 3.295 . 4.790 3.614 2.669 4.479 . 0 0 "[ . 1 .]" 2
961 2 39 LYS HA 2 42 GLN HG3 3.295 . 4.790 4.247 2.844 4.865 0.075 12 0 "[ . 1 .]" 2
962 2 46 SER HA 2 49 GLU HG3 3.650 . 5.500 5.533 5.422 5.614 0.114 10 0 "[ . 1 .]" 2
963 2 46 SER HA 2 49 GLU HG2 3.650 . 5.500 5.584 5.493 5.681 0.181 11 0 "[ . 1 .]" 2
964 2 49 GLU HA 2 52 ILE QG 4.090 . 6.380 4.586 4.464 4.949 . 0 0 "[ . 1 .]" 2
965 2 50 HIS HA 2 53 LYS HG2 3.650 . 5.500 4.191 3.825 4.344 . 0 0 "[ . 1 .]" 2
966 2 50 HIS HA 2 53 LYS HG3 3.650 . 5.500 4.953 3.324 5.575 0.075 9 0 "[ . 1 .]" 2
967 2 50 HIS HA 2 53 LYS HD3 3.650 . 5.500 5.284 5.098 5.624 0.124 5 0 "[ . 1 .]" 2
968 2 52 ILE QG 2 53 LYS HD3 4.090 . 6.380 5.451 4.894 5.898 . 0 0 "[ . 1 .]" 2
969 2 52 ILE QG 2 53 LYS HD2 4.090 . 6.380 4.732 3.945 5.857 . 0 0 "[ . 1 .]" 2
970 2 36 SER HB2 2 39 LYS HD3 4.525 . 7.250 4.217 3.755 4.622 . 0 0 "[ . 1 .]" 2
971 2 36 SER HB2 2 39 LYS HG3 3.650 . 5.500 4.901 4.546 5.417 . 0 0 "[ . 1 .]" 2
972 2 36 SER HB2 2 39 LYS HG2 3.650 . 5.500 3.772 3.223 4.578 . 0 0 "[ . 1 .]" 2
973 2 36 SER HB2 2 39 LYS HB3 3.650 . 5.500 3.630 3.171 4.164 . 0 0 "[ . 1 .]" 2
974 2 36 SER HB3 2 39 LYS HD2 4.525 . 7.250 4.871 4.434 5.303 . 0 0 "[ . 1 .]" 2
975 2 36 SER HB3 2 39 LYS HG3 3.650 . 5.500 5.252 4.959 5.510 0.010 3 0 "[ . 1 .]" 2
976 2 36 SER HB3 2 39 LYS HG2 3.650 . 5.500 4.539 4.008 5.110 . 0 0 "[ . 1 .]" 2
977 2 36 SER HB3 2 39 LYS HB3 3.650 . 5.500 4.384 3.865 4.917 . 0 0 "[ . 1 .]" 2
978 2 36 SER HB3 2 39 LYS HB2 3.650 . 5.500 2.670 2.191 3.173 . 0 0 "[ . 1 .]" 2
979 2 26 ILE HA 2 30 LEU HG 3.385 . 4.970 4.387 4.042 4.725 . 0 0 "[ . 1 .]" 2
980 2 101 LYS HA 2 101 LYS HD2 3.650 . 5.500 4.372 3.548 5.292 . 0 0 "[ . 1 .]" 2
981 2 101 LYS HD3 2 102 SER HB3 3.650 . 5.500 3.398 2.013 5.205 . 0 0 "[ . 1 .]" 2
982 2 101 LYS HD2 2 102 SER HB3 3.650 . 5.500 2.670 1.962 3.675 . 0 0 "[ . 1 .]" 2
983 2 101 LYS HA 2 101 LYS HE3 3.650 . 5.500 5.179 4.506 5.514 0.014 3 0 "[ . 1 .]" 2
984 2 93 SER HB2 2 110 PHE HA 3.650 . 5.500 4.615 4.033 5.254 . 0 0 "[ . 1 .]" 2
985 2 93 SER HB3 2 110 PHE HA 3.650 . 5.500 4.339 3.545 5.231 . 0 0 "[ . 1 .]" 2
986 2 36 SER HB2 2 39 LYS HB2 3.650 . 5.500 2.264 1.997 2.696 . 0 0 "[ . 1 .]" 2
987 2 26 ILE QG 2 27 ASP HA 4.090 . 6.380 5.678 5.488 5.757 . 0 0 "[ . 1 .]" 2
988 2 37 GLU HG2 2 38 ALA HA 3.310 . 4.820 4.431 4.333 4.771 . 0 0 "[ . 1 .]" 2
989 2 37 GLU HG3 2 38 ALA HA 3.310 . 4.820 4.287 4.130 4.349 . 0 0 "[ . 1 .]" 2
990 2 49 GLU HG3 2 53 LYS HG2 3.650 . 5.500 4.442 3.618 4.768 . 0 0 "[ . 1 .]" 2
991 2 49 GLU HG3 2 53 LYS HD2 3.650 . 5.500 3.821 3.573 4.167 . 0 0 "[ . 1 .]" 2
992 2 49 GLU HG2 2 53 LYS HD2 3.650 . 5.500 2.821 2.436 3.337 . 0 0 "[ . 1 .]" 2
993 2 49 GLU HG2 2 52 ILE QG 4.090 . 6.380 5.797 5.748 5.876 . 0 0 "[ . 1 .]" 2
994 2 68 CYS HB3 2 107 CYS HB2 3.650 . 5.500 4.317 2.385 5.561 0.061 7 0 "[ . 1 .]" 2
995 2 68 CYS HB3 2 107 CYS HB3 3.650 . 5.500 4.154 2.364 5.599 0.099 2 0 "[ . 1 .]" 2
996 2 68 CYS HB2 2 107 CYS HB3 3.650 . 5.500 3.876 2.269 4.816 . 0 0 "[ . 1 .]" 2
997 2 68 CYS HB2 2 107 CYS HB2 3.650 . 5.500 3.833 2.494 5.690 0.190 11 0 "[ . 1 .]" 2
998 2 69 ILE QG 2 106 ILE QG 4.525 . 7.250 4.882 4.645 4.991 . 0 0 "[ . 1 .]" 2
999 2 97 ARG HD2 2 106 ILE QG 4.090 . 6.380 4.653 3.575 5.691 . 0 0 "[ . 1 .]" 2
1000 2 97 ARG HD3 2 106 ILE QG 4.090 . 6.380 3.752 2.710 5.708 . 0 0 "[ . 1 .]" 2
1001 2 94 ARG HA 2 94 ARG HD2 3.540 . 5.280 3.629 2.412 4.957 . 0 0 "[ . 1 .]" 2
1002 2 94 ARG HA 2 94 ARG HD3 3.540 . 5.280 3.311 1.988 4.700 . 0 0 "[ . 1 .]" 2
1003 2 93 SER HA 2 110 PHE HB2 3.650 . 5.500 4.216 3.908 4.520 . 0 0 "[ . 1 .]" 2
1004 2 93 SER HA 2 110 PHE HB3 3.650 . 5.500 3.545 2.391 4.378 . 0 0 "[ . 1 .]" 2
1005 2 36 SER HB3 2 39 LYS HE2 3.650 . 5.500 2.162 1.982 2.468 . 0 0 "[ . 1 .]" 2
1006 2 36 SER HB3 2 39 LYS HE3 3.650 . 5.500 3.396 2.649 3.972 . 0 0 "[ . 1 .]" 2
1007 2 36 SER HB2 2 39 LYS HE3 3.650 . 5.500 2.889 1.990 3.581 . 0 0 "[ . 1 .]" 2
1008 2 35 TYR QE 2 37 GLU HG2 4.715 . 7.630 6.423 5.696 7.073 . 0 0 "[ . 1 .]" 2
1009 2 35 TYR QE 2 37 GLU HG3 4.715 . 7.630 5.636 4.714 6.354 . 0 0 "[ . 1 .]" 2
1010 2 35 TYR QE 2 101 LYS HD3 4.715 . 7.630 6.293 5.532 6.723 . 0 0 "[ . 1 .]" 2
1011 2 35 TYR QE 2 101 LYS HD2 4.715 . 7.630 5.273 4.124 6.629 . 0 0 "[ . 1 .]" 2
1012 2 35 TYR QE 2 101 LYS HE3 4.715 . 7.630 5.357 4.023 6.731 . 0 0 "[ . 1 .]" 2
1013 2 35 TYR QE 2 101 LYS HE2 4.715 . 7.630 6.142 4.543 7.050 . 0 0 "[ . 1 .]" 2
1014 2 35 TYR QE 2 73 LYS HA 4.715 . 7.630 6.948 6.440 7.090 . 0 0 "[ . 1 .]" 2
1015 2 73 LYS HA 2 73 LYS HE3 3.605 . 5.410 4.365 3.133 5.309 . 0 0 "[ . 1 .]" 2
1016 2 73 LYS HA 2 73 LYS HE2 3.605 . 5.410 4.458 2.531 5.417 0.007 14 0 "[ . 1 .]" 2
1017 2 56 THR HA 2 56 THR MG 2.615 . 3.430 2.552 2.398 2.672 . 0 0 "[ . 1 .]" 2
1018 2 37 GLU QG 2 38 ALA MB 3.900 . 6.000 4.477 4.421 4.508 . 0 0 "[ . 1 .]" 2
1019 2 8 VAL HA 2 8 VAL MG1 2.690 . 3.580 2.094 2.018 2.188 . 0 0 "[ . 1 .]" 2
1020 2 8 VAL HA 2 8 VAL MG2 2.690 . 3.580 2.813 2.738 2.886 . 0 0 "[ . 1 .]" 2
1021 2 58 LEU HA 2 58 LEU MD2 3.790 . 5.780 2.959 2.433 3.736 . 0 0 "[ . 1 .]" 2
1022 2 58 LEU HA 2 58 LEU MD1 3.790 . 5.780 2.776 1.974 3.742 . 0 0 "[ . 1 .]" 2
1023 2 52 ILE HB 2 52 ILE MD 2.705 . 3.610 3.148 2.860 3.207 . 0 0 "[ . 1 .]" 2
1024 2 52 ILE HA 2 52 ILE MD 3.110 . 4.420 3.108 2.821 3.896 . 0 0 "[ . 1 .]" 2
1025 2 106 ILE HB 2 106 ILE MD 2.770 . 3.740 2.168 2.065 2.294 . 0 0 "[ . 1 .]" 2
1026 2 112 LEU HA 2 112 LEU MD2 3.310 . 4.820 3.861 3.797 3.901 . 0 0 "[ . 1 .]" 2
1027 2 112 LEU HA 2 112 LEU MD1 3.310 . 4.820 2.192 2.047 2.323 . 0 0 "[ . 1 .]" 2
1028 2 55 LEU HA 2 55 LEU MD1 3.265 . 4.730 3.535 1.880 3.948 . 0 0 "[ . 1 .]" 2
1029 2 55 LEU HA 2 55 LEU MD2 2.860 . 3.920 2.155 1.921 3.010 . 0 0 "[ . 1 .]" 2
1030 2 48 LEU HA 2 48 LEU MD2 3.620 . 5.440 3.759 3.719 3.779 . 0 0 "[ . 1 .]" 2
1031 2 44 THR MG 2 48 LEU MD1 3.780 . 5.760 3.744 3.689 3.826 . 0 0 "[ . 1 .]" 2
1032 2 48 LEU HB3 2 48 LEU MD1 2.740 . 3.680 3.150 3.131 3.168 . 0 0 "[ . 1 .]" 2
1033 2 48 LEU HA 2 48 LEU MD1 3.480 . 5.160 1.889 1.795 1.948 0.005 12 0 "[ . 1 .]" 2
1034 2 30 LEU HA 2 30 LEU MD2 3.325 . 4.850 2.692 2.594 2.903 . 0 0 "[ . 1 .]" 2
1035 2 30 LEU HA 2 30 LEU MD1 3.325 . 4.850 2.006 1.933 2.144 . 0 0 "[ . 1 .]" 2
1036 2 26 ILE MG 2 30 LEU HB3 4.165 . 6.530 3.680 3.352 4.611 . 0 0 "[ . 1 .]" 2
1037 2 78 LEU HA 2 78 LEU MD1 3.650 . 5.500 3.062 2.221 3.621 . 0 0 "[ . 1 .]" 2
1038 2 78 LEU HA 2 78 LEU MD2 3.650 . 5.500 3.022 1.934 3.944 . 0 0 "[ . 1 .]" 2
1039 2 26 ILE HA 2 26 ILE MD 3.110 . 4.420 2.858 2.602 3.148 . 0 0 "[ . 1 .]" 2
1040 2 96 VAL HA 2 96 VAL MG2 2.615 . 3.430 2.427 2.208 2.611 . 0 0 "[ . 1 .]" 2
1041 2 96 VAL HA 2 96 VAL MG1 2.615 . 3.430 2.315 2.117 2.587 . 0 0 "[ . 1 .]" 2
1042 2 29 VAL HA 2 29 VAL MG1 2.615 . 3.430 2.884 2.814 2.911 . 0 0 "[ . 1 .]" 2
1043 2 29 VAL HA 2 29 VAL MG2 2.705 . 3.610 2.016 1.956 2.150 . 0 0 "[ . 1 .]" 2
1044 2 70 ILE HB 2 70 ILE MD 2.770 . 3.740 2.201 2.002 3.220 . 0 0 "[ . 1 .]" 2
1045 2 70 ILE MD 2 70 ILE MG 3.130 . 4.460 2.719 1.887 3.241 . 0 0 "[ . 1 .]" 2
1046 2 90 THR HA 2 113 ALA MB 4.040 . 6.280 4.002 3.135 4.440 . 0 0 "[ . 1 .]" 2
1047 2 65 VAL HB 2 112 LEU MD2 3.575 . 5.350 3.533 2.748 4.405 . 0 0 "[ . 1 .]" 2
1048 2 65 VAL HB 2 112 LEU MD1 3.575 . 5.350 3.773 3.040 4.404 . 0 0 "[ . 1 .]" 2
1049 2 65 VAL HA 2 112 LEU MD1 4.165 . 6.530 5.343 5.276 5.408 . 0 0 "[ . 1 .]" 2
1050 2 65 VAL HA 2 112 LEU MD2 4.165 . 6.530 4.978 4.445 5.327 . 0 0 "[ . 1 .]" 2
1051 2 55 LEU MD2 2 109 VAL MG1 4.680 . 7.560 3.127 2.084 4.392 . 0 0 "[ . 1 .]" 2
1052 2 28 ALA MB 2 29 VAL MG2 4.165 . 6.530 3.480 3.309 3.605 . 0 0 "[ . 1 .]" 2
1053 2 55 LEU MD2 2 109 VAL MG2 4.680 . 7.560 4.220 3.024 4.860 . 0 0 "[ . 1 .]" 2
1054 2 55 LEU MD1 2 109 VAL MG2 4.150 . 6.500 3.985 3.603 4.325 . 0 0 "[ . 1 .]" 2
1055 2 69 ILE MG 2 106 ILE QG 4.275 . 6.750 4.847 4.807 4.880 . 0 0 "[ . 1 .]" 2
1056 2 69 ILE HB 2 106 ILE MD 3.730 . 5.660 4.327 4.259 4.436 . 0 0 "[ . 1 .]" 2
1057 2 23 LYS HD3 2 96 VAL MG2 5.430 . 9.060 4.697 2.962 5.793 . 0 0 "[ . 1 .]" 2
1058 2 23 LYS HD2 2 96 VAL MG2 5.430 . 9.060 4.410 3.000 5.688 . 0 0 "[ . 1 .]" 2
1059 2 96 VAL MG2 2 98 TRP HB2 5.490 . 9.180 6.398 5.574 7.389 . 0 0 "[ . 1 .]" 2
1060 2 96 VAL MG2 2 109 VAL MG2 6.240 . 10.680 3.321 3.034 3.865 . 0 0 "[ . 1 .]" 2
1061 2 48 LEU MD1 2 67 THR MG 4.415 . 7.030 4.608 4.223 4.738 . 0 0 "[ . 1 .]" 2
1062 2 65 VAL MG1 2 67 THR MG 3.980 . 6.160 3.355 2.582 4.058 . 0 0 "[ . 1 .]" 2
1063 2 67 THR MG 2 108 THR MG 4.525 . 7.250 1.673 1.647 1.707 0.153 2 0 "[ . 1 .]" 2
1064 2 90 THR MG 2 113 ALA MB 4.680 . 7.560 4.478 3.468 5.063 . 0 0 "[ . 1 .]" 2
1065 2 89 THR HB 2 90 THR MG 3.900 . 6.000 4.552 4.184 4.872 . 0 0 "[ . 1 .]" 2
1066 2 89 THR MG 2 90 THR MG 4.490 . 7.180 2.089 1.788 2.597 0.012 12 0 "[ . 1 .]" 2
1067 2 80 THR MG 2 81 ALA MB 4.475 . 7.150 3.906 3.855 3.988 . 0 0 "[ . 1 .]" 2
1068 2 80 THR MG 2 81 ALA HA 4.165 . 6.530 3.747 3.648 3.901 . 0 0 "[ . 1 .]" 2
1069 2 69 ILE MD 2 106 ILE MD 4.680 . 7.560 3.956 3.607 4.279 . 0 0 "[ . 1 .]" 2
1070 2 66 VAL HA 2 67 THR MG 3.620 . 5.440 3.677 3.555 3.833 . 0 0 "[ . 1 .]" 2
1071 2 48 LEU MD1 2 67 THR HA 3.760 . 5.720 2.926 2.381 3.134 . 0 0 "[ . 1 .]" 2
1072 2 48 LEU MD1 2 67 THR HB 4.085 . 6.370 4.950 4.434 5.129 . 0 0 "[ . 1 .]" 2
1073 2 65 VAL MG2 2 112 LEU MD1 4.120 . 6.440 3.598 2.331 4.345 . 0 0 "[ . 1 .]" 2
1074 2 21 ILE QG 2 55 LEU MD2 4.385 . 6.970 3.858 3.473 4.898 . 0 0 "[ . 1 .]" 2
1075 2 21 ILE QG 2 55 LEU MD1 4.600 . 7.400 5.378 4.424 5.587 . 0 0 "[ . 1 .]" 2
1076 2 56 THR HB 2 57 ALA MB 4.165 . 6.530 5.182 5.016 5.335 . 0 0 "[ . 1 .]" 2
1077 2 55 LEU MD1 2 56 THR MG 4.370 . 6.940 4.465 3.907 4.787 . 0 0 "[ . 1 .]" 2
1078 2 55 LEU MD2 2 56 THR MG 4.680 . 7.560 5.058 4.387 5.237 . 0 0 "[ . 1 .]" 2
1079 2 56 THR MG 2 57 ALA MB 4.680 . 7.560 4.789 4.457 5.099 . 0 0 "[ . 1 .]" 2
1080 2 52 ILE HB 2 56 THR MG 3.790 . 5.780 4.835 4.541 5.041 . 0 0 "[ . 1 .]" 2
1081 2 52 ILE HA 2 55 LEU MD2 4.165 . 6.530 4.478 2.446 5.140 . 0 0 "[ . 1 .]" 2
1082 2 21 ILE MG 2 55 LEU MD2 3.330 . 4.860 2.858 1.893 3.064 . 0 0 "[ . 1 .]" 2
1083 2 21 ILE MG 2 55 LEU MD1 3.825 . 5.850 3.768 3.454 3.904 . 0 0 "[ . 1 .]" 2
1084 2 55 LEU MD1 2 109 VAL MG1 4.150 . 6.500 2.342 1.882 2.944 . 0 0 "[ . 1 .]" 2
1085 2 21 ILE MD 2 55 LEU HA 4.025 . 6.250 2.972 2.657 3.455 . 0 0 "[ . 1 .]" 2
1086 2 54 ARG HA 2 57 ALA MB 2.675 . 3.550 2.424 1.908 2.814 . 0 0 "[ . 1 .]" 2
1087 2 21 ILE MG 2 54 ARG HA 3.745 . 5.690 4.220 3.985 4.380 . 0 0 "[ . 1 .]" 2
1088 2 21 ILE MD 2 54 ARG HA 3.855 . 5.910 4.530 4.116 4.778 . 0 0 "[ . 1 .]" 2
1089 2 21 ILE MD 2 54 ARG HD3 3.915 . 6.030 3.995 2.940 4.864 . 0 0 "[ . 1 .]" 2
1090 2 21 ILE MD 2 54 ARG HD2 3.915 . 6.030 3.612 2.297 4.830 . 0 0 "[ . 1 .]" 2
1091 2 21 ILE MG 2 54 ARG HG3 3.790 . 5.780 2.586 1.968 3.227 . 0 0 "[ . 1 .]" 2
1092 2 21 ILE MD 2 54 ARG HG3 3.825 . 5.850 3.504 2.614 4.325 . 0 0 "[ . 1 .]" 2
1093 2 21 ILE MG 2 54 ARG HG2 3.790 . 5.780 2.835 1.825 3.752 . 0 0 "[ . 1 .]" 2
1094 2 21 ILE MD 2 54 ARG HG2 3.825 . 5.850 3.759 1.964 4.775 . 0 0 "[ . 1 .]" 2
1095 2 54 ARG HD3 2 57 ALA MB 3.480 . 5.160 3.650 2.831 4.319 . 0 0 "[ . 1 .]" 2
1096 2 54 ARG HD2 2 57 ALA MB 3.480 . 5.160 4.090 3.748 4.354 . 0 0 "[ . 1 .]" 2
1097 2 52 ILE QG 2 56 THR MG 4.310 . 6.820 3.163 2.190 3.525 . 0 0 "[ . 1 .]" 2
1098 2 52 ILE MD 2 56 THR MG 4.585 . 7.370 1.975 1.767 2.728 0.033 9 0 "[ . 1 .]" 2
1099 2 52 ILE HA 2 55 LEU MD1 3.730 . 5.660 3.055 2.140 4.849 . 0 0 "[ . 1 .]" 2
1100 2 51 CYS HB2 2 66 VAL MG1 4.315 . 6.830 2.630 2.042 2.892 . 0 0 "[ . 1 .]" 2
1101 2 51 CYS HB3 2 66 VAL MG1 4.315 . 6.830 1.963 1.799 2.221 0.001 2 0 "[ . 1 .]" 2
1102 2 48 LEU MD1 2 51 CYS HB3 3.125 . 4.450 3.432 3.301 3.740 . 0 0 "[ . 1 .]" 2
1103 2 45 SER HA 2 48 LEU MD1 3.650 . 5.500 3.845 3.622 4.040 . 0 0 "[ . 1 .]" 2
1104 2 45 SER HA 2 48 LEU MD2 3.450 . 5.100 2.319 1.980 2.624 . 0 0 "[ . 1 .]" 2
1105 2 48 LEU MD1 2 51 CYS HB2 3.125 . 4.450 3.501 3.185 3.578 . 0 0 "[ . 1 .]" 2
1106 2 29 VAL MG2 2 47 CYS HA 2.925 . 4.050 1.934 1.859 2.076 . 0 0 "[ . 1 .]" 2
1107 2 47 CYS HA 2 48 LEU MD1 4.135 . 6.470 4.659 4.541 4.962 . 0 0 "[ . 1 .]" 2
1108 2 29 VAL MG2 2 47 CYS HB2 3.235 . 4.670 2.996 2.678 3.142 . 0 0 "[ . 1 .]" 2
1109 2 47 CYS HB2 2 48 LEU MD1 3.515 . 5.230 4.227 4.040 4.347 . 0 0 "[ . 1 .]" 2
1110 2 44 THR MG 2 47 CYS HB3 4.150 . 6.500 4.497 4.192 5.109 . 0 0 "[ . 1 .]" 2
1111 2 29 VAL MG2 2 47 CYS HB3 3.235 . 4.670 3.797 3.677 3.954 . 0 0 "[ . 1 .]" 2
1112 2 47 CYS HB3 2 48 LEU MD1 3.515 . 5.230 2.949 2.818 3.215 . 0 0 "[ . 1 .]" 2
1113 2 29 VAL MG1 2 46 SER HB3 3.015 . 4.230 3.261 2.805 3.411 . 0 0 "[ . 1 .]" 2
1114 2 29 VAL MG2 2 46 SER HB3 3.295 . 4.790 1.916 1.799 2.164 0.001 7 0 "[ . 1 .]" 2
1115 2 29 VAL MG1 2 46 SER HB2 3.015 . 4.230 2.999 2.761 3.409 . 0 0 "[ . 1 .]" 2
1116 2 29 VAL MG2 2 46 SER HB2 3.295 . 4.790 2.679 2.366 3.170 . 0 0 "[ . 1 .]" 2
1117 2 29 VAL MG1 2 46 SER HA 3.670 . 5.540 4.593 4.571 4.637 . 0 0 "[ . 1 .]" 2
1118 2 29 VAL MG2 2 46 SER HA 3.495 . 5.190 3.741 3.577 3.913 . 0 0 "[ . 1 .]" 2
1119 2 45 SER HB3 2 48 LEU MD2 3.700 . 5.600 4.522 4.465 4.590 . 0 0 "[ . 1 .]" 2
1120 2 45 SER HB2 2 48 LEU MD2 3.700 . 5.600 4.293 4.115 4.488 . 0 0 "[ . 1 .]" 2
1121 2 41 SER HA 2 44 THR MG 4.070 . 6.340 2.740 2.369 3.344 . 0 0 "[ . 1 .]" 2
1122 2 44 THR MG 2 48 LEU MD2 4.025 . 6.250 3.025 2.757 3.226 . 0 0 "[ . 1 .]" 2
1123 2 44 THR HB 2 48 LEU MD2 4.165 . 6.530 5.307 5.174 5.382 . 0 0 "[ . 1 .]" 2
1124 2 38 ALA MB 2 39 LYS HE3 3.855 . 5.910 4.299 4.137 4.677 . 0 0 "[ . 1 .]" 2
1125 2 38 ALA MB 2 39 LYS HA 3.530 . 5.260 3.974 3.886 4.134 . 0 0 "[ . 1 .]" 2
1126 2 38 ALA MB 2 39 LYS HG3 4.025 . 6.250 4.810 4.324 5.118 . 0 0 "[ . 1 .]" 2
1127 2 38 ALA MB 2 39 LYS HG2 4.025 . 6.250 5.053 4.996 5.120 . 0 0 "[ . 1 .]" 2
1128 2 38 ALA MB 2 39 LYS HD2 4.165 . 6.530 3.959 3.717 4.204 . 0 0 "[ . 1 .]" 2
1129 2 38 ALA MB 2 39 LYS HD3 4.165 . 6.530 2.709 2.328 3.007 . 0 0 "[ . 1 .]" 2
1130 2 37 GLU HB2 2 38 ALA MB 4.165 . 6.530 5.354 5.306 5.388 . 0 0 "[ . 1 .]" 2
1131 2 38 ALA MB 2 39 LYS HE2 3.855 . 5.910 2.922 2.575 3.403 . 0 0 "[ . 1 .]" 2
1132 2 37 GLU HG2 2 40 VAL MG2 3.930 . 6.060 4.762 3.960 4.954 . 0 0 "[ . 1 .]" 2
1133 2 37 GLU HG2 2 38 ALA MB 3.960 . 6.120 4.942 4.893 4.998 . 0 0 "[ . 1 .]" 2
1134 2 37 GLU HG3 2 40 VAL MG2 3.930 . 6.060 3.440 2.389 3.713 . 0 0 "[ . 1 .]" 2
1135 2 37 GLU HG3 2 38 ALA MB 3.960 . 6.120 5.123 4.929 5.168 . 0 0 "[ . 1 .]" 2
1136 2 37 GLU HA 2 40 VAL MG1 3.015 . 4.230 3.206 1.831 3.551 . 0 0 "[ . 1 .]" 2
1137 2 37 GLU HA 2 40 VAL MG2 3.030 . 4.260 2.024 1.914 2.223 . 0 0 "[ . 1 .]" 2
1138 2 29 VAL MG1 2 30 LEU MD2 4.680 . 7.560 1.741 1.695 1.799 0.105 11 0 "[ . 1 .]" 2
1139 2 29 VAL MG1 2 30 LEU MD1 4.680 . 7.560 3.113 2.937 3.202 . 0 0 "[ . 1 .]" 2
1140 2 27 ASP HB2 2 28 ALA MB 4.070 . 6.340 5.128 5.012 5.207 . 0 0 "[ . 1 .]" 2
1141 2 28 ALA MB 2 29 VAL HB 3.855 . 5.910 3.915 3.840 4.062 . 0 0 "[ . 1 .]" 2
1142 2 26 ILE MD 2 29 VAL MG1 3.715 . 5.630 3.817 3.750 3.855 . 0 0 "[ . 1 .]" 2
1143 2 26 ILE MD 2 107 CYS HB3 3.015 . 4.230 2.886 2.427 3.355 . 0 0 "[ . 1 .]" 2
1144 2 26 ILE MD 2 107 CYS HB2 3.015 . 4.230 2.950 2.142 3.208 . 0 0 "[ . 1 .]" 2
1145 2 26 ILE HA 2 29 VAL MG2 4.040 . 6.280 4.118 3.849 4.365 . 0 0 "[ . 1 .]" 2
1146 2 25 SER HA 2 29 VAL MG2 4.165 . 6.530 4.077 3.834 4.244 . 0 0 "[ . 1 .]" 2
1147 2 23 LYS HA 2 26 ILE MD 3.155 . 4.510 2.714 2.402 3.040 . 0 0 "[ . 1 .]" 2
1148 2 23 LYS HG3 2 96 VAL MG2 5.060 . 8.320 3.432 2.663 3.905 . 0 0 "[ . 1 .]" 2
1149 2 23 LYS HG3 2 26 ILE MD 3.650 . 5.500 4.433 4.340 4.560 . 0 0 "[ . 1 .]" 2
1150 2 23 LYS HG2 2 96 VAL MG2 5.060 . 8.320 4.374 3.204 4.901 . 0 0 "[ . 1 .]" 2
1151 2 21 ILE MD 2 55 LEU MD2 3.515 . 5.230 2.034 1.776 3.297 0.024 3 0 "[ . 1 .]" 2
1152 2 21 ILE MD 2 55 LEU MD1 4.415 . 7.030 3.641 2.395 3.942 . 0 0 "[ . 1 .]" 2
1153 2 18 VAL HA 2 55 LEU MD2 3.515 . 5.230 3.064 2.546 4.225 . 0 0 "[ . 1 .]" 2
1154 2 18 VAL MG1 2 55 LEU MD2 4.230 . 6.660 2.157 1.716 3.042 0.084 12 0 "[ . 1 .]" 2
1155 2 18 VAL MG2 2 55 LEU MD2 4.230 . 6.660 2.652 2.046 3.946 . 0 0 "[ . 1 .]" 2
1156 2 18 VAL MG2 2 109 VAL MG2 5.805 . 9.810 4.322 3.837 4.855 . 0 0 "[ . 1 .]" 2
1157 2 18 VAL MG1 2 109 VAL MG2 5.805 . 9.810 2.048 1.790 2.575 0.010 2 0 "[ . 1 .]" 2
1158 2 7 ALA MB 2 8 VAL HA 3.420 . 5.040 4.012 3.826 4.188 . 0 0 "[ . 1 .]" 2
1159 2 7 ALA MB 2 10 GLU HB2 3.775 . 5.750 3.507 2.730 3.916 . 0 0 "[ . 1 .]" 2
1160 2 7 ALA MB 2 10 GLU HB3 4.135 . 6.470 4.949 4.137 5.248 . 0 0 "[ . 1 .]" 2
1161 2 7 ALA MB 2 10 GLU HG2 3.775 . 5.750 4.500 4.120 4.670 . 0 0 "[ . 1 .]" 2
1162 2 7 ALA MB 2 8 VAL MG2 4.680 . 7.560 3.940 3.635 4.378 . 0 0 "[ . 1 .]" 2
1163 2 6 PRO HD3 2 8 VAL MG1 5.725 . 9.650 6.271 3.780 7.027 . 0 0 "[ . 1 .]" 2
1164 2 6 PRO HD2 2 8 VAL MG1 5.725 . 9.650 5.454 2.769 6.337 . 0 0 "[ . 1 .]" 2
1165 2 6 PRO HA 2 7 ALA MB 4.165 . 6.530 4.048 3.936 4.306 . 0 0 "[ . 1 .]" 2
1166 2 8 VAL MG1 2 9 GLU HA 4.165 . 6.530 4.459 4.173 4.626 . 0 0 "[ . 1 .]" 2
1167 2 30 LEU MD2 2 44 THR MG 4.680 . 7.560 5.066 4.900 5.212 . 0 0 "[ . 1 .]" 2
1168 2 30 LEU MD1 2 44 THR MG 4.680 . 7.560 5.169 5.083 5.240 . 0 0 "[ . 1 .]" 2
1169 2 65 VAL MG1 2 112 LEU MD1 4.680 . 7.560 3.621 1.944 4.784 . 0 0 "[ . 1 .]" 2
1170 2 95 THR HA 2 108 THR MG 3.140 . 4.480 3.816 3.689 3.874 . 0 0 "[ . 1 .]" 2
1171 2 95 THR MG 2 108 THR HA 3.590 . 5.380 4.634 4.605 4.671 . 0 0 "[ . 1 .]" 2
1172 2 95 THR MG 2 108 THR HB 3.360 . 4.920 3.991 3.913 4.140 . 0 0 "[ . 1 .]" 2
1173 2 95 THR MG 2 108 THR MG 4.320 . 6.840 4.766 4.681 4.810 . 0 0 "[ . 1 .]" 2
1174 2 95 THR HB 2 108 THR MG 3.390 . 4.980 3.762 3.579 3.937 . 0 0 "[ . 1 .]" 2
1175 2 25 SER HA 2 28 ALA MB 2.770 . 3.740 2.929 2.794 3.076 . 0 0 "[ . 1 .]" 2
1176 2 29 VAL HB 2 30 LEU MD2 4.165 . 6.530 3.010 2.821 3.219 . 0 0 "[ . 1 .]" 2
1177 2 26 ILE QG 2 29 VAL MG1 3.935 . 6.070 3.039 2.672 3.393 . 0 0 "[ . 1 .]" 2
1178 2 29 VAL MG2 2 50 HIS HB2 4.165 . 6.530 2.512 2.207 2.945 . 0 0 "[ . 1 .]" 2
1179 2 29 VAL MG2 2 50 HIS HB3 4.165 . 6.530 3.502 3.243 3.945 . 0 0 "[ . 1 .]" 2
1180 2 49 GLU HA 2 52 ILE MD 4.165 . 6.530 4.326 3.788 4.534 . 0 0 "[ . 1 .]" 2
1181 2 49 GLU HA 2 52 ILE MG 4.025 . 6.250 1.813 1.774 1.875 0.026 14 0 "[ . 1 .]" 2
1182 2 49 GLU HG3 2 52 ILE MD 4.165 . 6.530 4.886 3.964 5.222 . 0 0 "[ . 1 .]" 2
1183 2 26 ILE QG 2 30 LEU MD1 4.480 . 7.160 4.419 4.138 4.697 . 0 0 "[ . 1 .]" 2
1184 2 26 ILE MG 2 30 LEU MD1 4.680 . 7.560 3.789 3.350 4.614 . 0 0 "[ . 1 .]" 2
1185 2 36 SER HB2 2 38 ALA MB 4.165 . 6.530 4.457 4.305 4.636 . 0 0 "[ . 1 .]" 2
1186 2 36 SER HB3 2 38 ALA MB 4.165 . 6.530 3.112 2.924 3.352 . 0 0 "[ . 1 .]" 2
1187 2 23 LYS HG2 2 26 ILE MD 3.650 . 5.500 4.366 4.228 4.485 . 0 0 "[ . 1 .]" 2
1188 2 26 ILE HA 2 29 VAL MG1 3.125 . 4.450 2.581 2.360 2.843 . 0 0 "[ . 1 .]" 2
1189 2 51 CYS HA 2 55 LEU MD1 3.945 . 6.090 4.558 3.829 5.065 . 0 0 "[ . 1 .]" 2
1190 2 51 CYS HB2 2 109 VAL MG1 4.640 . 7.480 5.016 4.595 6.142 . 0 0 "[ . 1 .]" 2
1191 2 51 CYS HB3 2 109 VAL MG1 4.640 . 7.480 4.394 3.847 5.541 . 0 0 "[ . 1 .]" 2
1192 2 89 THR HA 2 90 THR MG 4.165 . 6.530 4.692 4.299 4.994 . 0 0 "[ . 1 .]" 2
1193 2 38 ALA MB 2 39 LYS HB3 4.165 . 6.530 5.179 5.098 5.323 . 0 0 "[ . 1 .]" 2
1194 2 38 ALA MB 2 39 LYS HB2 4.165 . 6.530 3.957 3.805 4.090 . 0 0 "[ . 1 .]" 2
1195 2 56 THR MG 2 57 ALA HA 4.165 . 6.530 5.358 5.206 5.514 . 0 0 "[ . 1 .]" 2
1196 2 66 VAL MG2 2 109 VAL MG2 4.680 . 7.560 3.999 3.051 4.577 . 0 0 "[ . 1 .]" 2
1197 2 27 ASP HB3 2 28 ALA MB 4.165 . 6.530 3.733 3.600 3.856 . 0 0 "[ . 1 .]" 2
1198 2 28 ALA MB 2 29 VAL MG1 4.630 . 7.460 4.884 4.834 4.963 . 0 0 "[ . 1 .]" 2
1199 2 29 VAL MG2 2 30 LEU MD1 4.630 . 7.460 5.105 5.015 5.190 . 0 0 "[ . 1 .]" 2
1200 2 29 VAL MG2 2 30 LEU MD2 4.630 . 7.460 3.783 3.665 3.945 . 0 0 "[ . 1 .]" 2
1201 2 37 GLU HB3 2 38 ALA MB 4.165 . 6.530 4.039 3.965 4.102 . 0 0 "[ . 1 .]" 2
1202 2 7 ALA MB 2 10 GLU HG3 3.775 . 5.750 4.191 3.072 4.701 . 0 0 "[ . 1 .]" 2
1203 2 7 ALA MB 2 8 VAL MG1 4.680 . 7.560 5.002 4.821 5.208 . 0 0 "[ . 1 .]" 2
1204 2 8 VAL MG1 2 9 GLU HG3 4.165 . 6.530 4.151 3.673 4.622 . 0 0 "[ . 1 .]" 2
1205 2 8 VAL MG1 2 9 GLU HG2 4.165 . 6.530 3.644 2.997 4.155 . 0 0 "[ . 1 .]" 2
1206 2 8 VAL MG2 2 9 GLU HG3 4.165 . 6.530 4.325 3.126 5.437 . 0 0 "[ . 1 .]" 2
1207 2 8 VAL MG2 2 9 GLU HG2 4.165 . 6.530 4.421 3.084 5.474 . 0 0 "[ . 1 .]" 2
1208 2 8 VAL MG2 2 9 GLU HA 4.165 . 6.530 5.100 4.983 5.183 . 0 0 "[ . 1 .]" 2
1209 2 8 VAL MG2 2 9 GLU HB3 4.165 . 6.530 5.535 5.475 5.605 . 0 0 "[ . 1 .]" 2
1210 2 8 VAL MG2 2 9 GLU HB2 4.165 . 6.530 4.586 4.154 5.182 . 0 0 "[ . 1 .]" 2
1211 2 8 VAL MG1 2 9 GLU HB3 4.165 . 6.530 5.357 5.008 5.459 . 0 0 "[ . 1 .]" 2
1212 2 8 VAL MG1 2 9 GLU HB2 4.165 . 6.530 4.908 4.027 5.526 . 0 0 "[ . 1 .]" 2
1213 2 66 VAL MG1 2 109 VAL MG2 4.680 . 7.560 2.982 1.814 3.488 . 0 0 "[ . 1 .]" 2
1214 2 65 VAL MG1 2 112 LEU MD2 4.680 . 7.560 3.471 1.930 4.328 . 0 0 "[ . 1 .]" 2
1215 2 49 GLU HG2 2 52 ILE MD 4.165 . 6.530 4.707 4.211 5.003 . 0 0 "[ . 1 .]" 2
1216 2 29 VAL MG2 2 43 TRP HA 3.530 . 5.260 4.100 3.843 4.367 . 0 0 "[ . 1 .]" 2
1217 2 29 VAL MG1 2 43 TRP HA 3.405 . 5.010 2.856 2.633 3.001 . 0 0 "[ . 1 .]" 2
1218 2 26 ILE QG 2 30 LEU MD2 4.480 . 7.160 2.372 2.035 2.583 . 0 0 "[ . 1 .]" 2
1219 2 26 ILE MG 2 30 LEU MD2 4.680 . 7.560 2.162 1.883 2.941 . 0 0 "[ . 1 .]" 2
1220 2 65 VAL MG2 2 112 LEU MD2 4.120 . 6.440 2.964 1.890 3.933 . 0 0 "[ . 1 .]" 2
1221 2 65 VAL MG2 2 110 PHE HA 4.165 . 6.530 5.167 3.951 5.712 . 0 0 "[ . 1 .]" 2
1222 2 65 VAL MG2 2 67 THR MG 4.490 . 7.180 3.995 2.813 4.671 . 0 0 "[ . 1 .]" 2
1223 2 29 VAL HB 2 30 LEU MD1 4.165 . 6.530 5.149 4.894 5.252 . 0 0 "[ . 1 .]" 2
1224 2 65 VAL MG1 2 108 THR MG 4.680 . 7.560 4.238 3.147 5.209 . 0 0 "[ . 1 .]" 2
1225 2 65 VAL MG2 2 108 THR MG 4.680 . 7.560 5.077 4.488 5.253 . 0 0 "[ . 1 .]" 2
1226 2 80 THR MG 2 82 ALA MB 4.680 . 7.560 3.320 3.142 3.537 . 0 0 "[ . 1 .]" 2
1227 2 48 LEU MD1 2 68 CYS HB2 3.515 . 5.230 2.862 2.385 3.914 . 0 0 "[ . 1 .]" 2
1228 2 48 LEU MD2 2 68 CYS HB2 3.495 . 5.190 3.604 2.654 4.311 . 0 0 "[ . 1 .]" 2
1229 2 48 LEU MD2 2 68 CYS HB3 3.495 . 5.190 3.650 3.150 4.343 . 0 0 "[ . 1 .]" 2
1230 2 48 LEU MD1 2 68 CYS HB3 3.515 . 5.230 3.160 2.721 3.858 . 0 0 "[ . 1 .]" 2
1231 2 44 THR MG 2 68 CYS HB3 3.435 . 5.070 2.960 2.420 4.108 . 0 0 "[ . 1 .]" 2
1232 2 44 THR MG 2 68 CYS HB2 3.435 . 5.070 3.416 2.262 4.145 . 0 0 "[ . 1 .]" 2
1233 2 48 LEU MD1 2 68 CYS HA 4.085 . 6.370 4.130 3.887 4.391 . 0 0 "[ . 1 .]" 2
1234 2 96 VAL MG2 2 98 TRP HB3 5.490 . 9.180 7.423 5.976 7.761 . 0 0 "[ . 1 .]" 2
1235 2 66 VAL MG2 2 109 VAL MG1 4.680 . 7.560 2.333 1.833 4.028 . 0 0 "[ . 1 .]" 2
1236 2 66 VAL MG1 2 109 VAL MG1 4.680 . 7.560 2.431 1.886 3.266 . 0 0 "[ . 1 .]" 2
1237 2 96 VAL MG1 2 109 VAL MG1 6.240 . 10.680 7.236 6.891 7.386 . 0 0 "[ . 1 .]" 2
1238 2 96 VAL MG2 2 109 VAL MG1 6.240 . 10.680 5.463 4.985 5.937 . 0 0 "[ . 1 .]" 2
1239 2 96 VAL MG2 2 107 CYS HB3 5.245 . 8.690 5.037 3.783 6.313 . 0 0 "[ . 1 .]" 2
1240 2 96 VAL MG2 2 107 CYS HB2 5.245 . 8.690 4.906 3.733 6.208 . 0 0 "[ . 1 .]" 2
1241 2 67 THR MG 2 106 ILE QG 4.600 . 7.400 5.312 5.224 5.394 . 0 0 "[ . 1 .]" 2
1242 2 69 ILE QG 2 106 ILE MD 4.600 . 7.400 5.399 5.312 5.474 . 0 0 "[ . 1 .]" 2
1243 2 69 ILE MG 2 106 ILE MD 4.505 . 7.210 4.836 4.693 4.890 . 0 0 "[ . 1 .]" 2
1244 2 69 ILE MG 2 106 ILE MG 4.680 . 7.560 2.742 2.669 2.844 . 0 0 "[ . 1 .]" 2
1245 2 69 ILE MD 2 106 ILE MG 4.680 . 7.560 2.684 2.534 2.800 . 0 0 "[ . 1 .]" 2
1246 2 69 ILE MD 2 108 THR MG 4.680 . 7.560 3.534 2.867 4.055 . 0 0 "[ . 1 .]" 2
1247 2 95 THR MG 2 106 ILE QG 3.860 . 5.920 3.508 3.146 3.924 . 0 0 "[ . 1 .]" 2
1248 2 95 THR MG 2 106 ILE MD 4.090 . 6.380 2.473 2.013 2.932 . 0 0 "[ . 1 .]" 2
1249 2 97 ARG HD2 2 106 ILE MD 3.715 . 5.630 3.385 2.100 4.545 . 0 0 "[ . 1 .]" 2
1250 2 97 ARG HD3 2 106 ILE MD 3.715 . 5.630 2.569 1.908 4.425 . 0 0 "[ . 1 .]" 2
1251 2 113 ALA MB 2 114 ILE MG 4.680 . 7.560 5.003 4.556 5.235 . 0 0 "[ . 1 .]" 2
1252 2 113 ALA MB 2 114 ILE MD 4.680 . 7.560 3.797 2.498 5.203 . 0 0 "[ . 1 .]" 2
1253 2 44 THR MG 2 47 CYS HB2 4.150 . 6.500 5.269 4.576 5.515 . 0 0 "[ . 1 .]" 2
1254 2 11 ALA MB 2 96 VAL MG1 4.680 . 7.560 3.498 2.930 3.822 . 0 0 "[ . 1 .]" 2
1255 2 11 ALA MB 2 96 VAL MG2 4.680 . 7.560 3.683 3.422 4.088 . 0 0 "[ . 1 .]" 2
1256 2 37 GLU HG3 2 40 VAL MG1 3.885 . 5.970 3.485 3.438 3.576 . 0 0 "[ . 1 .]" 2
1257 2 37 GLU HG2 2 40 VAL MG1 3.885 . 5.970 4.901 4.719 4.953 . 0 0 "[ . 1 .]" 2
1258 2 35 TYR QE 2 40 VAL MG2 5.120 . 8.440 2.719 1.853 4.211 . 0 0 "[ . 1 .]" 2
1259 2 64 TYR HA 2 65 VAL MG1 4.165 . 6.530 4.736 3.581 5.242 . 0 0 "[ . 1 .]" 2
1260 2 2 GLU HA 2 2 GLU QG 2.375 . 2.950 2.330 2.168 2.521 . 0 0 "[ . 1 .]" 2
1261 2 4 VAL QG 2 6 PRO HA 4.680 . 7.560 3.945 3.540 4.743 . 0 0 "[ . 1 .]" 2
1262 2 6 PRO HA 2 8 VAL QG 4.865 . 7.930 4.023 3.572 4.433 . 0 0 "[ . 1 .]" 2
1263 2 6 PRO QG 2 8 VAL QG 5.090 . 8.380 4.942 3.486 5.414 . 0 0 "[ . 1 .]" 2
1264 2 6 PRO QD 2 8 VAL QG 4.920 . 8.040 4.108 1.952 4.759 . 0 0 "[ . 1 .]" 2
1265 2 6 PRO HD2 2 8 VAL MG2 5.725 . 9.650 4.676 2.039 5.611 . 0 0 "[ . 1 .]" 2
1266 2 6 PRO HD3 2 8 VAL MG2 5.725 . 9.650 5.157 2.916 5.941 . 0 0 "[ . 1 .]" 2
1267 2 7 ALA HA 2 8 VAL QG 4.000 . 6.200 3.595 3.498 4.057 . 0 0 "[ . 1 .]" 2
1268 2 7 ALA MB 2 10 GLU QG 3.705 . 5.610 3.814 3.000 4.122 . 0 0 "[ . 1 .]" 2
1269 2 10 GLU HA 2 10 GLU QG 2.850 . 3.900 2.275 2.063 2.527 . 0 0 "[ . 1 .]" 2
1270 2 18 VAL HA 2 109 VAL QG 3.675 . 5.550 4.057 3.912 4.129 . 0 0 "[ . 1 .]" 2
1271 2 18 VAL HB 2 109 VAL QG 4.245 . 6.690 3.493 3.140 3.784 . 0 0 "[ . 1 .]" 2
1272 2 18 VAL QG 2 19 SER H 3.705 . 5.610 3.354 3.312 3.385 . 0 0 "[ . 1 .]" 2
1273 2 18 VAL QG 2 55 LEU MD2 4.070 . 6.340 2.038 1.674 2.901 0.126 12 0 "[ . 1 .]" 2
1274 2 18 VAL QG 2 109 VAL QG 4.675 . 7.550 1.761 1.643 1.970 0.157 13 0 "[ . 1 .]" 2
1275 2 18 VAL MG1 2 109 VAL MG1 5.805 . 9.810 1.974 1.745 2.207 0.055 13 0 "[ . 1 .]" 2
1276 2 18 VAL MG2 2 109 VAL MG1 5.805 . 9.810 3.652 3.166 4.082 . 0 0 "[ . 1 .]" 2
1277 2 19 SER HA 2 20 ASN QD 4.085 . 6.370 5.650 5.267 5.839 . 0 0 "[ . 1 .]" 2
1278 2 20 ASN HA 2 23 LYS QB 2.910 . 4.020 2.799 2.714 2.940 . 0 0 "[ . 1 .]" 2
1279 2 20 ASN HA 2 23 LYS QG 4.090 . 6.380 4.237 3.631 4.869 . 0 0 "[ . 1 .]" 2
1280 2 20 ASN QB 2 21 ILE H 2.940 . 4.080 3.413 3.330 3.499 . 0 0 "[ . 1 .]" 2
1281 2 21 ILE HA 2 24 GLU QG 4.040 . 6.280 4.156 3.452 4.940 . 0 0 "[ . 1 .]" 2
1282 2 21 ILE MG 2 54 ARG QG 3.720 . 5.640 2.047 1.814 2.487 . 0 0 "[ . 1 .]" 2
1283 2 21 ILE MG 2 54 ARG QD 3.285 . 4.770 3.087 2.679 3.431 . 0 0 "[ . 1 .]" 2
1284 2 21 ILE MD 2 54 ARG QG 3.750 . 5.700 3.148 1.911 4.014 . 0 0 "[ . 1 .]" 2
1285 2 21 ILE MD 2 54 ARG QD 3.835 . 5.870 3.254 2.279 4.116 . 0 0 "[ . 1 .]" 2
1286 2 22 ILE HA 2 25 SER QB 3.025 . 4.250 2.548 2.256 2.771 . 0 0 "[ . 1 .]" 2
1287 2 23 LYS HA 2 23 LYS QD 3.570 . 5.340 4.021 3.883 4.123 . 0 0 "[ . 1 .]" 2
1288 2 23 LYS HA 2 96 VAL QG 3.935 . 6.070 4.082 3.757 4.303 . 0 0 "[ . 1 .]" 2
1289 2 23 LYS QB 2 23 LYS QE 2.915 . 4.030 2.853 1.870 3.334 . 0 0 "[ . 1 .]" 2
1290 2 23 LYS QB 2 24 GLU H 3.530 . 5.260 2.378 2.167 2.593 . 0 0 "[ . 1 .]" 2
1291 2 23 LYS QB 2 26 ILE MD 4.600 . 7.400 4.498 4.246 4.730 . 0 0 "[ . 1 .]" 2
1292 2 23 LYS QE 2 23 LYS QG 2.675 . 3.550 2.136 1.960 2.525 . 0 0 "[ . 1 .]" 2
1293 2 23 LYS QG 2 96 VAL QG 4.225 . 6.650 2.276 1.864 2.662 . 0 0 "[ . 1 .]" 2
1294 2 23 LYS HG2 2 96 VAL MG1 5.060 . 8.320 2.732 2.005 3.356 . 0 0 "[ . 1 .]" 2
1295 2 23 LYS HG3 2 96 VAL MG1 5.060 . 8.320 2.619 1.944 3.228 . 0 0 "[ . 1 .]" 2
1296 2 23 LYS QD 2 96 VAL QG 4.600 . 7.400 2.743 1.888 3.396 . 0 0 "[ . 1 .]" 2
1297 2 23 LYS HD2 2 96 VAL MG1 5.430 . 9.060 3.344 1.909 4.618 . 0 0 "[ . 1 .]" 2
1298 2 23 LYS HD3 2 96 VAL MG1 5.430 . 9.060 3.483 2.235 4.737 . 0 0 "[ . 1 .]" 2
1299 2 24 GLU H 2 24 GLU QG 3.045 . 4.290 3.030 2.441 3.647 . 0 0 "[ . 1 .]" 2
1300 2 24 GLU HA 2 24 GLU QG 2.660 . 3.520 2.270 2.067 2.495 . 0 0 "[ . 1 .]" 2
1301 2 25 SER QB 2 27 ASP H 3.515 . 5.230 4.654 4.547 4.698 . 0 0 "[ . 1 .]" 2
1302 2 26 ILE QG 2 30 LEU QD 4.330 . 6.860 2.363 2.031 2.571 . 0 0 "[ . 1 .]" 2
1303 2 26 ILE QG 2 96 VAL QG 5.380 . 8.960 5.212 4.879 5.646 . 0 0 "[ . 1 .]" 2
1304 2 26 ILE MD 2 96 VAL QG 4.560 . 7.320 4.229 3.767 4.451 . 0 0 "[ . 1 .]" 2
1305 2 26 ILE MD 2 107 CYS QB 2.915 . 4.030 2.576 2.077 2.911 . 0 0 "[ . 1 .]" 2
1306 2 28 ALA HA 2 31 GLN QG 3.730 . 5.660 5.070 5.052 5.093 . 0 0 "[ . 1 .]" 2
1307 2 29 VAL HA 2 30 LEU QD 4.765 . 7.730 3.690 3.620 3.814 . 0 0 "[ . 1 .]" 2
1308 2 29 VAL HB 2 30 LEU QD 3.770 . 5.740 2.990 2.808 3.192 . 0 0 "[ . 1 .]" 2
1309 2 29 VAL MG2 2 30 LEU QD 4.425 . 7.050 3.686 3.594 3.811 . 0 0 "[ . 1 .]" 2
1310 2 29 VAL MG2 2 46 SER QB 3.080 . 4.360 1.868 1.787 2.102 0.013 10 0 "[ . 1 .]" 2
1311 2 29 VAL MG2 2 47 CYS QB 3.140 . 4.480 2.888 2.617 3.020 . 0 0 "[ . 1 .]" 2
1312 2 30 LEU HA 2 30 LEU QD 2.885 . 3.970 1.951 1.888 2.047 . 0 0 "[ . 1 .]" 2
1313 2 30 LEU QD 2 33 GLN H 4.950 . 8.100 5.370 5.026 5.646 . 0 0 "[ . 1 .]" 2
1314 2 30 LEU QD 2 43 TRP HA 4.950 . 8.100 3.660 3.397 3.884 . 0 0 "[ . 1 .]" 2
1315 2 31 GLN H 2 31 GLN QG 3.515 . 5.230 3.985 3.963 4.005 . 0 0 "[ . 1 .]" 2
1316 2 31 GLN HA 2 31 GLN QG 2.185 . 2.570 2.268 2.216 2.308 . 0 0 "[ . 1 .]" 2
1317 2 31 GLN HA 2 31 GLN QE 4.085 . 6.370 4.452 3.933 4.787 . 0 0 "[ . 1 .]" 2
1318 2 31 GLN HB2 2 31 GLN QG 2.240 . 2.680 2.360 2.343 2.381 . 0 0 "[ . 1 .]" 2
1319 2 31 GLN HB3 2 31 GLN QG 2.130 . 2.460 2.275 2.258 2.295 . 0 0 "[ . 1 .]" 2
1320 2 32 ASN H 2 32 ASN QD 4.085 . 6.370 3.316 1.971 3.993 . 0 0 "[ . 1 .]" 2
1321 2 32 ASN QB 2 33 GLN H 3.070 . 4.340 3.438 3.184 3.673 . 0 0 "[ . 1 .]" 2
1322 2 32 ASN QD 2 43 TRP HE1 3.570 . 5.340 3.924 3.065 4.271 . 0 0 "[ . 1 .]" 2
1323 2 33 GLN H 2 33 GLN QE 4.085 . 6.370 4.995 4.560 5.385 . 0 0 "[ . 1 .]" 2
1324 2 34 GLN H 2 34 GLN QE 4.085 . 6.370 5.151 4.684 5.668 . 0 0 "[ . 1 .]" 2
1325 2 34 GLN HA 2 34 GLN QG 2.790 . 3.780 2.239 2.108 2.720 . 0 0 "[ . 1 .]" 2
1326 2 34 GLN HB2 2 34 GLN QG 2.245 . 2.690 2.356 2.136 2.509 . 0 0 "[ . 1 .]" 2
1327 2 36 SER QB 2 38 ALA MB 4.010 . 6.220 3.054 2.881 3.241 . 0 0 "[ . 1 .]" 2
1328 2 36 SER QB 2 39 LYS QB 3.545 . 5.290 2.116 1.837 2.472 . 0 0 "[ . 1 .]" 2
1329 2 36 SER QB 2 39 LYS QD 3.830 . 5.860 3.357 3.021 3.728 . 0 0 "[ . 1 .]" 2
1330 2 36 SER HB3 2 39 LYS HD3 4.525 . 7.250 3.732 3.243 4.220 . 0 0 "[ . 1 .]" 2
1331 2 36 SER QB 2 39 LYS QE 3.435 . 5.070 1.965 1.717 2.282 0.083 9 0 "[ . 1 .]" 2
1332 2 37 GLU HA 2 37 GLU QG 2.725 . 3.650 2.428 2.385 2.557 . 0 0 "[ . 1 .]" 2
1333 2 37 GLU QG 2 38 ALA HA 3.220 . 4.640 3.875 3.841 3.912 . 0 0 "[ . 1 .]" 2
1334 2 37 GLU QG 2 40 VAL MG2 3.860 . 5.920 3.361 2.370 3.613 . 0 0 "[ . 1 .]" 2
1335 2 38 ALA MB 2 39 LYS QE 3.760 . 5.720 2.875 2.551 3.325 . 0 0 "[ . 1 .]" 2
1336 2 39 LYS H 2 39 LYS QG 3.505 . 5.210 3.846 3.725 4.017 . 0 0 "[ . 1 .]" 2
1337 2 39 LYS HA 2 39 LYS QD 2.870 . 3.940 2.484 2.167 2.961 . 0 0 "[ . 1 .]" 2
1338 2 39 LYS HA 2 39 LYS QE 3.180 . 4.560 3.950 3.756 4.119 . 0 0 "[ . 1 .]" 2
1339 2 39 LYS HA 2 42 GLN QG 3.200 . 4.600 3.391 2.583 4.059 . 0 0 "[ . 1 .]" 2
1340 2 39 LYS QB 2 39 LYS QE 3.040 . 4.280 2.201 1.927 2.466 . 0 0 "[ . 1 .]" 2
1341 2 39 LYS QB 2 40 VAL H 3.560 . 5.320 3.128 3.058 3.176 . 0 0 "[ . 1 .]" 2
1342 2 39 LYS QG 2 42 GLN HB2 3.095 . 4.390 2.918 2.650 3.460 . 0 0 "[ . 1 .]" 2
1343 2 39 LYS QG 2 42 GLN HB3 3.560 . 5.320 3.670 3.271 3.973 . 0 0 "[ . 1 .]" 2
1344 2 39 LYS QD 2 42 GLN HB2 3.175 . 4.550 3.532 2.993 4.134 . 0 0 "[ . 1 .]" 2
1345 2 39 LYS QD 2 42 GLN HB3 3.670 . 5.540 4.366 3.480 5.018 . 0 0 "[ . 1 .]" 2
1346 2 41 SER H 2 41 SER QB 2.705 . 3.610 2.561 2.383 2.806 . 0 0 "[ . 1 .]" 2
1347 2 41 SER HA 2 42 GLN QE 4.085 . 6.370 5.113 4.271 5.797 . 0 0 "[ . 1 .]" 2
1348 2 42 GLN HA 2 45 SER QB 2.730 . 3.660 2.448 2.018 2.697 . 0 0 "[ . 1 .]" 2
1349 2 42 GLN HB3 2 45 SER QB 3.390 . 4.980 4.258 3.930 4.424 . 0 0 "[ . 1 .]" 2
1350 2 44 THR HA 2 47 CYS QB 2.700 . 3.600 2.043 1.871 2.267 . 0 0 "[ . 1 .]" 2
1351 2 44 THR MG 2 47 CYS QB 3.960 . 6.120 4.204 4.068 4.356 . 0 0 "[ . 1 .]" 2
1352 2 45 SER H 2 45 SER QB 2.605 . 3.410 2.189 2.089 2.337 . 0 0 "[ . 1 .]" 2
1353 2 45 SER QB 2 46 SER H 2.940 . 4.080 3.053 2.710 3.405 . 0 0 "[ . 1 .]" 2
1354 2 45 SER QB 2 48 LEU MD2 3.625 . 5.450 3.913 3.823 4.027 . 0 0 "[ . 1 .]" 2
1355 2 47 CYS QB 2 48 LEU H 3.035 . 4.270 2.602 2.498 2.726 . 0 0 "[ . 1 .]" 2
1356 2 47 CYS QB 2 48 LEU MD1 3.340 . 4.880 2.894 2.780 3.127 . 0 0 "[ . 1 .]" 2
1357 2 48 LEU HA 2 51 CYS QB 2.460 . 3.120 2.402 2.013 2.581 . 0 0 "[ . 1 .]" 2
1358 2 48 LEU HA 2 66 VAL QG 4.590 . 7.380 2.191 1.915 2.579 . 0 0 "[ . 1 .]" 2
1359 2 48 LEU MD1 2 51 CYS QB 3.010 . 4.220 3.080 3.018 3.136 . 0 0 "[ . 1 .]" 2
1360 2 48 LEU MD1 2 66 VAL QG 4.220 . 6.640 1.804 1.698 2.036 0.102 12 0 "[ . 1 .]" 2
1361 2 48 LEU MD2 2 66 VAL QG 5.460 . 9.120 3.712 3.404 3.972 . 0 0 "[ . 1 .]" 2
1362 2 48 LEU MD2 2 68 CYS QB 3.430 . 5.060 3.090 2.625 3.650 . 0 0 "[ . 1 .]" 2
1363 2 49 GLU HA 2 49 GLU QG 2.605 . 3.410 2.307 2.261 2.375 . 0 0 "[ . 1 .]" 2
1364 2 49 GLU QG 2 50 HIS H 3.575 . 5.350 4.072 3.909 4.178 . 0 0 "[ . 1 .]" 2
1365 2 49 GLU QG 2 52 ILE MD 4.025 . 6.250 4.263 3.631 4.543 . 0 0 "[ . 1 .]" 2
1366 2 49 GLU QG 2 53 LYS QD 3.215 . 4.630 2.208 1.865 3.124 . 0 0 "[ . 1 .]" 2
1367 2 49 GLU QG 2 53 LYS QE 3.455 . 5.110 3.626 3.395 4.166 . 0 0 "[ . 1 .]" 2
1368 2 51 CYS H 2 51 CYS QB 2.860 . 3.920 2.411 2.270 2.466 . 0 0 "[ . 1 .]" 2
1369 2 51 CYS HA 2 54 ARG QB 2.930 . 4.060 2.795 2.345 3.050 . 0 0 "[ . 1 .]" 2
1370 2 51 CYS QB 2 66 VAL QG 3.460 . 5.120 1.810 1.679 1.895 0.121 2 0 "[ . 1 .]" 2
1371 2 51 CYS HB2 2 66 VAL MG2 4.315 . 6.830 3.859 3.374 4.362 . 0 0 "[ . 1 .]" 2
1372 2 51 CYS HB3 2 66 VAL MG2 4.315 . 6.830 2.453 1.940 3.203 . 0 0 "[ . 1 .]" 2
1373 2 51 CYS QB 2 109 VAL QG 3.820 . 5.840 3.783 3.509 3.899 . 0 0 "[ . 1 .]" 2
1374 2 51 CYS HB2 2 109 VAL MG2 4.640 . 7.480 5.185 4.342 5.530 . 0 0 "[ . 1 .]" 2
1375 2 51 CYS HB3 2 109 VAL MG2 4.640 . 7.480 5.118 4.094 5.432 . 0 0 "[ . 1 .]" 2
1376 2 53 LYS HA 2 53 LYS QG 2.795 . 3.790 2.594 2.512 2.746 . 0 0 "[ . 1 .]" 2
1377 2 53 LYS HA 2 53 LYS QD 3.150 . 4.500 2.742 2.413 2.952 . 0 0 "[ . 1 .]" 2
1378 2 53 LYS QB 2 53 LYS QE 3.320 . 4.840 3.373 3.134 3.890 . 0 0 "[ . 1 .]" 2
1379 2 53 LYS QB 2 54 ARG H 2.845 . 3.890 2.815 2.708 2.988 . 0 0 "[ . 1 .]" 2
1380 2 54 ARG H 2 54 ARG QG 3.455 . 5.110 3.685 3.107 4.058 . 0 0 "[ . 1 .]" 2
1381 2 54 ARG HA 2 54 ARG QD 2.830 . 3.860 2.624 2.176 3.216 . 0 0 "[ . 1 .]" 2
1382 2 54 ARG QB 2 55 LEU H 3.120 . 4.440 2.565 2.359 2.835 . 0 0 "[ . 1 .]" 2
1383 2 55 LEU H 2 58 LEU QD 4.950 . 8.100 4.815 4.215 5.144 . 0 0 "[ . 1 .]" 2
1384 2 55 LEU HA 2 58 LEU QD 3.680 . 5.560 3.551 2.914 4.082 . 0 0 "[ . 1 .]" 2
1385 2 55 LEU MD1 2 109 VAL QG 3.795 . 5.790 2.319 1.876 2.831 . 0 0 "[ . 1 .]" 2
1386 2 55 LEU MD2 2 109 VAL QG 4.155 . 6.510 3.030 2.049 3.891 . 0 0 "[ . 1 .]" 2
1387 2 56 THR H 2 58 LEU QD 4.715 . 7.630 5.325 4.902 5.532 . 0 0 "[ . 1 .]" 2
1388 2 57 ALA H 2 58 LEU QD 4.625 . 7.450 4.367 3.764 5.008 . 0 0 "[ . 1 .]" 2
1389 2 58 LEU H 2 58 LEU QD 3.700 . 5.600 2.799 2.193 3.496 . 0 0 "[ . 1 .]" 2
1390 2 58 LEU HA 2 59 ASN QD 4.085 . 6.370 3.912 3.100 5.015 . 0 0 "[ . 1 .]" 2
1391 2 60 LYS HA 2 61 PRO QB 3.015 . 4.230 3.823 3.699 3.980 . 0 0 "[ . 1 .]" 2
1392 2 63 LYS H 2 112 LEU QD 4.950 . 8.100 5.348 4.698 5.813 . 0 0 "[ . 1 .]" 2
1393 2 64 TYR H 2 66 VAL QG 4.945 . 8.090 5.344 5.107 5.570 . 0 0 "[ . 1 .]" 2
1394 2 64 TYR HA 2 66 VAL QG 4.835 . 7.870 4.766 4.243 5.132 . 0 0 "[ . 1 .]" 2
1395 2 64 TYR HA 2 109 VAL QG 4.945 . 8.090 4.549 4.235 5.013 . 0 0 "[ . 1 .]" 2
1396 2 64 TYR HA 2 112 LEU QD 4.950 . 8.100 3.501 2.765 4.092 . 0 0 "[ . 1 .]" 2
1397 2 65 VAL H 2 112 LEU QD 4.950 . 8.100 3.189 2.859 3.429 . 0 0 "[ . 1 .]" 2
1398 2 66 VAL QG 2 68 CYS H 4.945 . 8.090 4.913 4.596 5.282 . 0 0 "[ . 1 .]" 2
1399 2 66 VAL QG 2 109 VAL QG 3.835 . 5.870 1.942 1.656 2.215 0.144 10 0 "[ . 1 .]" 2
1400 2 67 THR MG 2 109 VAL QG 4.855 . 7.910 4.552 4.072 4.789 . 0 0 "[ . 1 .]" 2
1401 2 68 CYS QB 2 107 CYS QB 3.410 . 5.020 2.761 2.239 3.632 . 0 0 "[ . 1 .]" 2
1402 2 71 MET HA 2 71 MET QG 2.920 . 4.040 2.262 2.056 2.858 . 0 0 "[ . 1 .]" 2
1403 2 76 ALA MB 2 78 LEU QD 5.460 . 9.120 4.403 3.819 5.113 . 0 0 "[ . 1 .]" 2
1404 2 78 LEU QD 2 80 THR MG 4.980 . 8.160 4.157 3.705 4.800 . 0 0 "[ . 1 .]" 2
1405 2 84 CYS HA 2 84 CYS QB 2.215 . 2.630 2.321 2.176 2.533 . 0 0 "[ . 1 .]" 2
1406 2 94 ARG HA 2 94 ARG QD 3.460 . 5.120 2.839 1.977 4.013 . 0 0 "[ . 1 .]" 2
1407 2 95 THR HA 2 109 VAL QG 4.725 . 7.650 4.380 4.149 5.148 . 0 0 "[ . 1 .]" 2
1408 2 96 VAL QG 2 97 ARG H 3.880 . 5.960 2.544 2.126 2.947 . 0 0 "[ . 1 .]" 2
1409 2 96 VAL QG 2 98 TRP QB 4.665 . 7.530 3.945 3.298 4.577 . 0 0 "[ . 1 .]" 2
1410 2 96 VAL MG1 2 98 TRP HB2 5.490 . 9.180 4.261 3.396 4.963 . 0 0 "[ . 1 .]" 2
1411 2 96 VAL MG1 2 98 TRP HB3 5.490 . 9.180 5.177 3.384 5.920 . 0 0 "[ . 1 .]" 2
1412 2 96 VAL QG 2 107 CYS QB 4.380 . 6.960 3.848 3.410 4.353 . 0 0 "[ . 1 .]" 2
1413 2 96 VAL MG1 2 107 CYS HB2 5.245 . 8.690 5.176 4.130 5.866 . 0 0 "[ . 1 .]" 2
1414 2 96 VAL MG1 2 107 CYS HB3 5.245 . 8.690 5.148 4.288 5.920 . 0 0 "[ . 1 .]" 2
1415 2 96 VAL QG 2 109 VAL QG 4.935 . 8.070 3.249 2.991 3.665 . 0 0 "[ . 1 .]" 2
1416 2 96 VAL MG1 2 109 VAL MG2 6.240 . 10.680 5.203 5.007 5.451 . 0 0 "[ . 1 .]" 2
1417 2 98 TRP QB 2 99 GLU H 3.365 . 4.930 3.186 2.694 3.576 . 0 0 "[ . 1 .]" 2
1418 2 100 ASN QB 2 102 SER H 3.685 . 5.570 4.357 3.921 4.956 . 0 0 "[ . 1 .]" 2
1419 2 101 LYS QB 2 101 LYS QE 3.235 . 4.670 2.471 1.931 3.582 . 0 0 "[ . 1 .]" 2
1420 2 101 LYS QE 2 101 LYS QG 2.765 . 3.730 2.139 1.963 2.491 . 0 0 "[ . 1 .]" 2
1421 2 101 LYS QD 2 102 SER HA 3.450 . 5.100 3.570 2.647 4.285 . 0 0 "[ . 1 .]" 2
1422 2 101 LYS QD 2 102 SER QB 3.470 . 5.140 2.032 1.918 2.531 . 0 0 "[ . 1 .]" 2
1423 2 101 LYS QE 2 102 SER QB 3.490 . 5.180 3.292 2.438 4.020 . 0 0 "[ . 1 .]" 2
1424 2 107 CYS QB 2 108 THR H 2.955 . 4.110 3.515 3.284 3.796 . 0 0 "[ . 1 .]" 2
1425 2 110 PHE HA 2 112 LEU QD 4.670 . 7.540 3.193 3.057 3.413 . 0 0 "[ . 1 .]" 2
1426 2 112 LEU H 2 112 LEU QD 3.925 . 6.050 2.207 1.976 2.355 . 0 0 "[ . 1 .]" 2
1427 2 112 LEU HA 2 112 LEU QD 3.085 . 4.370 2.179 2.039 2.303 . 0 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 184
_Distance_constraint_stats_list.Viol_count 254
_Distance_constraint_stats_list.Viol_total 1428.548
_Distance_constraint_stats_list.Viol_max 1.335
_Distance_constraint_stats_list.Viol_rms 0.1388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0345
_Distance_constraint_stats_list.Viol_average_violations_only 0.3749
_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 44 THR 1.809 0.722 3 1 "[ + . 1 .]"
1 45 SER 0.000 0.000 . 0 "[ . 1 .]"
1 48 LEU 4.633 0.851 3 2 "[- + . 1 .]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 53 LYS 0.454 0.315 4 0 "[ . 1 .]"
1 56 THR 4.351 1.201 3 4 "[ + . * 1 * -.]"
1 64 TYR 4.309 1.335 3 3 "[ + . - 1 * .]"
1 65 VAL 6.278 0.831 3 4 "[ + . *1 -* .]"
1 66 VAL 0.328 0.170 15 0 "[ . 1 .]"
1 67 THR 8.271 1.111 1 3 "[+ . * *]"
1 68 CYS 0.504 0.320 8 0 "[ . 1 .]"
1 69 ILE 12.551 0.940 3 7 "[* + .- *** *]"
1 70 ILE 0.598 0.530 8 1 "[ . + 1 .]"
1 72 GLN 3.542 1.209 4 3 "[ +. - 1 * .]"
1 77 GLY 2.099 0.811 12 3 "[ *. - 1 + .]"
1 78 LEU 1.442 1.209 4 1 "[ +. 1 .]"
1 79 HIS 0.597 0.531 8 1 "[ . + 1 .]"
1 80 THR 10.992 0.938 3 6 "[- + . *** *]"
1 81 ALA 7.350 0.722 3 2 "[ + .- 1 .]"
1 82 ALA 7.313 1.111 1 3 "[+ . * *]"
1 83 SER 2.433 0.849 3 2 "[- + . 1 .]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 85 TRP 15.383 1.335 3 6 "[ + . * *1 -**.]"
1 108 THR 0.000 0.000 . 0 "[ . 1 .]"
2 44 THR 1.805 0.722 3 1 "[ + . 1 .]"
2 45 SER 0.000 0.000 . 0 "[ . 1 .]"
2 48 LEU 4.647 0.849 3 2 "[- + . 1 .]"
2 52 ILE 0.000 0.000 . 0 "[ . 1 .]"
2 53 LYS 0.455 0.316 4 0 "[ . 1 .]"
2 56 THR 4.350 1.201 3 4 "[ + . * 1 * -.]"
2 64 TYR 4.308 1.335 3 3 "[ + . - 1 * .]"
2 65 VAL 6.269 0.830 3 4 "[ + . *1 -* .]"
2 66 VAL 0.331 0.171 15 0 "[ . 1 .]"
2 67 THR 8.260 1.111 1 3 "[+ . * *]"
2 68 CYS 0.504 0.319 8 0 "[ . 1 .]"
2 69 ILE 12.541 0.938 3 7 "[* + .- *** *]"
2 70 ILE 0.597 0.531 8 1 "[ . + 1 .]"
2 72 GLN 3.541 1.209 4 3 "[ +. - 1 * .]"
2 77 GLY 2.100 0.811 12 3 "[ *. - 1 + .]"
2 78 LEU 1.441 1.209 4 1 "[ +. 1 .]"
2 79 HIS 0.598 0.530 8 1 "[ . + 1 .]"
2 80 THR 11.003 0.940 3 6 "[- + . *** *]"
2 81 ALA 7.348 0.722 3 2 "[ + .- 1 .]"
2 82 ALA 7.313 1.111 1 3 "[+ . * *]"
2 83 SER 2.432 0.851 3 2 "[- + . 1 .]"
2 84 CYS 0.000 0.000 . 0 "[ . 1 .]"
2 85 TRP 15.392 1.335 3 6 "[ + . * *1 -**.]"
2 108 THR 0.000 0.000 . 0 "[ . 1 .]"
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 64 TYR H 2 85 TRP H 3.310 . 4.820 4.127 3.404 5.220 0.400 9 0 "[ . 1 .]" 3
2 1 66 VAL H 2 83 SER H 3.155 . 4.510 3.072 2.426 3.772 . 0 0 "[ . 1 .]" 3
3 1 68 CYS H 2 81 ALA H 3.280 . 4.760 2.691 2.158 3.236 . 0 0 "[ . 1 .]" 3
4 1 68 CYS H 2 82 ALA HA 3.140 . 4.480 3.280 2.703 3.687 . 0 0 "[ . 1 .]" 3
5 1 67 THR HA 2 83 SER H 3.060 . 4.320 3.114 2.496 3.634 . 0 0 "[ . 1 .]" 3
6 1 69 ILE HA 2 81 ALA H 2.970 . 4.140 3.069 2.416 3.784 . 0 0 "[ . 1 .]" 3
7 1 70 ILE H 2 80 THR HA 3.650 . 5.500 3.216 2.384 4.157 . 0 0 "[ . 1 .]" 3
8 1 66 VAL H 2 84 CYS HA 3.325 . 4.850 3.373 1.992 4.236 . 0 0 "[ . 1 .]" 3
9 1 65 VAL HA 2 85 TRP H 3.650 . 5.500 3.488 2.336 4.043 . 0 0 "[ . 1 .]" 3
10 1 69 ILE H 2 81 ALA H 3.570 . 5.340 4.245 3.559 5.090 . 0 0 "[ . 1 .]" 3
11 1 72 GLN H 2 78 LEU HA 3.260 . 4.720 3.826 2.476 5.929 1.209 4 1 "[ +. 1 .]" 3
12 1 72 GLN H 2 77 GLY H 3.650 . 5.500 4.933 3.758 6.311 0.811 12 3 "[ *. - 1 + .]" 3
13 1 65 VAL H 2 85 TRP H 3.635 . 5.470 5.285 3.926 6.244 0.774 9 1 "[ . +1 .]" 3
14 1 64 TYR H 2 85 TRP HE1 3.650 . 5.500 5.458 4.176 6.835 1.335 3 3 "[ + . - 1 * .]" 3
15 1 67 THR HB 2 83 SER H 3.650 . 5.500 3.636 2.401 4.265 . 0 0 "[ . 1 .]" 3
16 1 69 ILE HB 2 81 ALA H 3.650 . 5.500 5.145 3.943 6.009 0.509 6 1 "[ .+ 1 .]" 3
17 1 67 THR HB 2 81 ALA H 3.650 . 5.500 5.429 4.975 5.890 0.390 12 0 "[ . 1 .]" 3
18 1 69 ILE QG 2 81 ALA H 4.090 . 6.380 2.903 1.778 3.659 0.022 9 0 "[ . 1 .]" 3
19 1 52 ILE QG 2 85 TRP H 4.090 . 6.380 4.676 3.497 5.514 . 0 0 "[ . 1 .]" 3
20 1 52 ILE QG 2 85 TRP HE1 4.090 . 6.380 3.855 3.274 4.277 . 0 0 "[ . 1 .]" 3
21 1 53 LYS QE 2 85 TRP HE1 3.650 . 5.500 4.777 3.346 5.815 0.315 4 0 "[ . 1 .]" 3
22 1 65 VAL HB 2 85 TRP H 3.650 . 5.500 5.115 3.088 6.331 0.831 3 3 "[ + . 1 -* .]" 3
23 1 56 THR HB 2 85 TRP HE1 3.650 . 5.500 3.594 2.470 5.286 . 0 0 "[ . 1 .]" 3
24 1 64 TYR QD 2 85 TRP HE1 4.720 . 7.640 4.469 2.450 7.305 . 0 0 "[ . 1 .]" 3
25 1 56 THR MG 2 85 TRP HE1 4.055 . 6.310 1.838 0.599 3.246 1.201 3 4 "[ + . * 1 * -.]" 3
26 1 67 THR MG 2 83 SER H 4.165 . 6.530 4.595 3.791 5.215 . 0 0 "[ . 1 .]" 3
27 1 66 VAL MG1 2 83 SER H 4.165 . 6.530 4.129 3.299 4.750 . 0 0 "[ . 1 .]" 3
28 1 48 LEU MD2 2 83 SER H 4.165 . 6.530 3.140 2.068 3.689 . 0 0 "[ . 1 .]" 3
29 1 44 THR MG 2 81 ALA H 4.165 . 6.530 3.934 2.932 4.651 . 0 0 "[ . 1 .]" 3
30 1 68 CYS H 2 82 ALA MB 4.165 . 6.530 3.661 2.800 4.070 . 0 0 "[ . 1 .]" 3
31 1 45 SER H 2 81 ALA MB 4.165 . 6.530 3.956 2.986 4.582 . 0 0 "[ . 1 .]" 3
32 1 66 VAL H 2 82 ALA MB 4.165 . 6.530 4.557 4.104 5.269 . 0 0 "[ . 1 .]" 3
33 1 67 THR MG 2 81 ALA H 4.165 . 6.530 5.194 4.730 5.885 . 0 0 "[ . 1 .]" 3
34 1 69 ILE MG 2 81 ALA H 4.165 . 6.530 4.652 3.841 5.377 . 0 0 "[ . 1 .]" 3
35 1 69 ILE MD 2 81 ALA H 4.165 . 6.530 3.613 1.886 5.058 . 0 0 "[ . 1 .]" 3
36 1 48 LEU MD1 2 83 SER H 4.165 . 6.530 4.033 3.157 4.731 . 0 0 "[ . 1 .]" 3
37 1 52 ILE MD 2 85 TRP H 4.165 . 6.530 5.573 4.409 6.329 . 0 0 "[ . 1 .]" 3
38 1 52 ILE MG 2 85 TRP HE1 4.165 . 6.530 5.389 4.671 5.884 . 0 0 "[ . 1 .]" 3
39 1 67 THR H 2 82 ALA MB 4.165 . 6.530 4.414 3.704 5.000 . 0 0 "[ . 1 .]" 3
40 1 70 ILE H 2 80 THR MG 4.165 . 6.530 4.850 4.273 5.378 . 0 0 "[ . 1 .]" 3
41 1 70 ILE MD 2 79 HIS H 4.165 . 6.530 2.643 1.270 4.301 0.530 8 1 "[ . + 1 .]" 3
42 1 66 VAL MG2 2 83 SER H 4.165 . 6.530 4.165 3.740 5.089 . 0 0 "[ . 1 .]" 3
43 1 65 VAL MG2 2 85 TRP H 4.165 . 6.530 3.995 2.869 5.029 . 0 0 "[ . 1 .]" 3
44 1 69 ILE HA 2 80 THR HA 2.905 . 4.010 1.825 0.860 2.837 0.940 3 4 "[- + . * 1 *]" 3
45 1 67 THR HA 2 82 ALA HA 2.440 . 3.080 1.595 0.689 2.206 1.111 1 3 "[+ . * -]" 3
46 1 69 ILE HA 2 80 THR HB 3.650 . 5.500 4.671 3.343 5.768 0.268 4 0 "[ . 1 .]" 3
47 1 69 ILE QG 2 80 THR HA 4.090 . 6.380 2.299 1.206 3.247 0.594 10 1 "[ . + .]" 3
48 1 69 ILE QG 2 80 THR HB 4.090 . 6.380 3.439 2.563 4.429 . 0 0 "[ . 1 .]" 3
49 1 67 THR HB 2 82 ALA HA 3.185 . 4.570 2.464 1.540 3.426 0.260 9 0 "[ . 1 .]" 3
50 1 67 THR MG 2 82 ALA MB 3.825 . 5.850 3.092 2.448 3.829 . 0 0 "[ . 1 .]" 3
51 1 67 THR HA 2 82 ALA MB 2.785 . 3.770 2.845 2.081 3.364 . 0 0 "[ . 1 .]" 3
52 1 48 LEU MD2 2 82 ALA HA 3.050 . 4.300 2.386 1.521 3.068 0.279 3 0 "[ . 1 .]" 3
53 1 48 LEU MD2 2 82 ALA MB 3.375 . 4.950 3.479 2.639 3.978 . 0 0 "[ . 1 .]" 3
54 1 44 THR MG 2 81 ALA HA 4.025 . 6.250 4.020 3.117 5.048 . 0 0 "[ . 1 .]" 3
55 1 48 LEU MD2 2 81 ALA HA 3.715 . 5.630 3.260 2.869 3.665 . 0 0 "[ . 1 .]" 3
56 1 44 THR MG 2 80 THR HA 4.055 . 6.310 4.518 3.475 5.364 . 0 0 "[ . 1 .]" 3
57 1 69 ILE MG 2 80 THR HB 4.165 . 6.530 4.488 3.653 5.499 . 0 0 "[ . 1 .]" 3
58 1 69 ILE QG 2 80 THR MG 4.430 . 7.060 1.591 0.877 2.201 0.923 8 5 "[* - . +*1 *]" 3
59 1 69 ILE MG 2 80 THR MG 4.135 . 6.470 3.424 3.029 3.882 . 0 0 "[ . 1 .]" 3
60 1 69 ILE HB 2 80 THR MG 4.165 . 6.530 3.985 3.353 4.771 . 0 0 "[ . 1 .]" 3
61 1 69 ILE HA 2 80 THR MG 3.390 . 4.980 3.135 2.415 3.738 . 0 0 "[ . 1 .]" 3
62 1 67 THR MG 2 82 ALA HA 3.340 . 4.880 3.857 3.206 4.619 . 0 0 "[ . 1 .]" 3
63 1 67 THR HB 2 82 ALA MB 3.125 . 4.450 1.820 1.207 2.570 0.593 10 2 "[- . + .]" 3
64 1 48 LEU MD1 2 83 SER HB3 3.480 . 5.160 4.141 3.497 4.716 . 0 0 "[ . 1 .]" 3
65 1 48 LEU MD2 2 81 ALA MB 3.825 . 5.850 1.713 1.384 2.145 0.416 11 0 "[ . 1 .]" 3
66 1 48 LEU MD1 2 83 SER HB2 3.480 . 5.160 4.146 3.481 4.799 . 0 0 "[ . 1 .]" 3
67 1 48 LEU MD2 2 83 SER HB2 3.450 . 5.100 3.092 2.331 3.981 . 0 0 "[ . 1 .]" 3
68 1 48 LEU MD1 2 82 ALA HA 3.390 . 4.980 3.709 2.818 4.275 . 0 0 "[ . 1 .]" 3
69 1 44 THR MG 2 81 ALA MB 4.025 . 6.250 1.790 1.078 2.534 0.722 3 1 "[ + . 1 .]" 3
70 1 44 THR HB 2 81 ALA MB 3.605 . 5.410 4.129 3.338 5.080 . 0 0 "[ . 1 .]" 3
71 1 69 ILE MG 2 80 THR HA 3.700 . 5.600 2.981 1.946 3.964 . 0 0 "[ . 1 .]" 3
72 1 48 LEU MD2 2 83 SER HB3 3.450 . 5.100 4.013 3.349 4.725 . 0 0 "[ . 1 .]" 3
73 1 66 VAL MG1 2 83 SER HB2 3.885 . 5.970 4.549 3.832 5.163 . 0 0 "[ . 1 .]" 3
74 1 66 VAL MG1 2 83 SER HB3 3.885 . 5.970 3.786 2.939 4.400 . 0 0 "[ . 1 .]" 3
75 1 66 VAL MG2 2 83 SER HB2 3.885 . 5.970 4.387 2.901 5.258 . 0 0 "[ . 1 .]" 3
76 1 66 VAL MG2 2 83 SER HB3 3.885 . 5.970 3.024 1.642 3.831 0.158 15 0 "[ . 1 .]" 3
77 1 65 VAL MG1 2 82 ALA MB 4.540 . 7.280 4.190 3.262 4.693 . 0 0 "[ . 1 .]" 3
78 1 82 ALA MB 2 108 THR MG 4.680 . 7.560 4.770 4.175 5.394 . 0 0 "[ . 1 .]" 3
79 1 48 LEU MD1 2 81 ALA MB 3.810 . 5.820 3.088 2.635 3.527 . 0 0 "[ . 1 .]" 3
80 1 48 LEU HB2 2 81 ALA MB 3.250 . 4.700 3.783 3.355 4.675 . 0 0 "[ . 1 .]" 3
81 1 48 LEU HG 2 81 ALA MB 3.930 . 6.060 4.086 3.528 4.602 . 0 0 "[ . 1 .]" 3
82 1 68 CYS HB2 2 81 ALA MB 4.165 . 6.530 3.099 2.111 4.485 . 0 0 "[ . 1 .]" 3
83 1 68 CYS HB3 2 81 ALA MB 4.165 . 6.530 2.892 1.480 4.449 0.320 8 0 "[ . 1 .]" 3
84 1 67 THR MG 2 80 THR MG 4.680 . 7.560 4.043 3.528 4.540 . 0 0 "[ . 1 .]" 3
85 1 69 ILE MD 2 80 THR MG 4.680 . 7.560 2.169 0.927 3.006 0.873 10 1 "[ . + .]" 3
86 1 44 THR HA 2 81 ALA MB 4.100 . 6.400 4.644 3.693 5.501 . 0 0 "[ . 1 .]" 3
87 1 48 LEU HB2 2 83 SER QB 3.825 . 5.850 3.370 2.438 4.154 . 0 0 "[ . 1 .]" 3
88 1 48 LEU HB3 2 83 SER QB 3.995 . 6.190 1.929 0.949 2.618 0.851 3 2 "[- + . 1 .]" 3
89 1 48 LEU MD2 2 83 SER QB 3.270 . 4.740 2.989 2.302 3.783 . 0 0 "[ . 1 .]" 3
90 1 66 VAL QG 2 81 ALA MB 5.460 . 9.120 5.029 4.686 5.399 . 0 0 "[ . 1 .]" 3
91 1 66 VAL QG 2 83 SER QB 3.685 . 5.570 2.791 1.630 3.392 0.170 15 0 "[ . 1 .]" 3
92 1 72 GLN H 2 78 LEU QD 4.950 . 8.100 4.356 3.086 6.049 . 0 0 "[ . 1 .]" 3
93 1 85 TRP H 2 64 TYR H 3.310 . 4.820 4.125 3.403 5.219 0.399 9 0 "[ . 1 .]" 3
94 1 83 SER H 2 66 VAL H 3.155 . 4.510 3.071 2.425 3.769 . 0 0 "[ . 1 .]" 3
95 1 81 ALA H 2 68 CYS H 3.280 . 4.760 2.690 2.158 3.234 . 0 0 "[ . 1 .]" 3
96 1 82 ALA HA 2 68 CYS H 3.140 . 4.480 3.281 2.703 3.688 . 0 0 "[ . 1 .]" 3
97 1 83 SER H 2 67 THR HA 3.060 . 4.320 3.115 2.497 3.635 . 0 0 "[ . 1 .]" 3
98 1 81 ALA H 2 69 ILE HA 2.970 . 4.140 3.070 2.419 3.785 . 0 0 "[ . 1 .]" 3
99 1 80 THR HA 2 70 ILE H 3.650 . 5.500 3.217 2.386 4.159 . 0 0 "[ . 1 .]" 3
100 1 84 CYS HA 2 66 VAL H 3.325 . 4.850 3.374 1.993 4.237 . 0 0 "[ . 1 .]" 3
101 1 85 TRP H 2 65 VAL HA 3.650 . 5.500 3.489 2.337 4.043 . 0 0 "[ . 1 .]" 3
102 1 81 ALA H 2 69 ILE H 3.570 . 5.340 4.245 3.560 5.090 . 0 0 "[ . 1 .]" 3
103 1 78 LEU HA 2 72 GLN H 3.260 . 4.720 3.827 2.476 5.929 1.209 4 1 "[ +. 1 .]" 3
104 1 77 GLY H 2 72 GLN H 3.650 . 5.500 4.932 3.756 6.311 0.811 12 3 "[ *. - 1 + .]" 3
105 1 85 TRP H 2 65 VAL H 3.635 . 5.470 5.285 3.928 6.243 0.773 9 1 "[ . +1 .]" 3
106 1 85 TRP HE1 2 64 TYR H 3.650 . 5.500 5.458 4.178 6.835 1.335 3 3 "[ + . - 1 * .]" 3
107 1 83 SER H 2 67 THR HB 3.650 . 5.500 3.636 2.401 4.266 . 0 0 "[ . 1 .]" 3
108 1 81 ALA H 2 69 ILE HB 3.650 . 5.500 5.145 3.945 6.008 0.508 6 1 "[ .+ 1 .]" 3
109 1 81 ALA H 2 67 THR HB 3.650 . 5.500 5.427 4.973 5.887 0.387 12 0 "[ . 1 .]" 3
110 1 81 ALA H 2 69 ILE QG 4.090 . 6.380 2.904 1.779 3.659 0.021 9 0 "[ . 1 .]" 3
111 1 85 TRP H 2 52 ILE QG 4.090 . 6.380 4.676 3.497 5.514 . 0 0 "[ . 1 .]" 3
112 1 85 TRP HE1 2 52 ILE QG 4.090 . 6.380 3.856 3.275 4.278 . 0 0 "[ . 1 .]" 3
113 1 85 TRP HE1 2 53 LYS QE 3.650 . 5.500 4.778 3.346 5.816 0.316 4 0 "[ . 1 .]" 3
114 1 85 TRP H 2 65 VAL HB 3.650 . 5.500 5.115 3.088 6.330 0.830 3 3 "[ + . 1 -* .]" 3
115 1 85 TRP HE1 2 56 THR HB 3.650 . 5.500 3.594 2.469 5.283 . 0 0 "[ . 1 .]" 3
116 1 85 TRP HE1 2 64 TYR QD 4.720 . 7.640 4.469 2.450 7.304 . 0 0 "[ . 1 .]" 3
117 1 85 TRP HE1 2 56 THR MG 4.055 . 6.310 1.838 0.599 3.245 1.201 3 4 "[ + . * 1 * -.]" 3
118 1 83 SER H 2 67 THR MG 4.165 . 6.530 4.595 3.792 5.215 . 0 0 "[ . 1 .]" 3
119 1 83 SER H 2 66 VAL MG1 4.165 . 6.530 4.129 3.298 4.751 . 0 0 "[ . 1 .]" 3
120 1 83 SER H 2 48 LEU MD2 4.165 . 6.530 3.141 2.069 3.690 . 0 0 "[ . 1 .]" 3
121 1 81 ALA H 2 44 THR MG 4.165 . 6.530 3.934 2.931 4.652 . 0 0 "[ . 1 .]" 3
122 1 82 ALA MB 2 68 CYS H 4.165 . 6.530 3.662 2.802 4.070 . 0 0 "[ . 1 .]" 3
123 1 81 ALA MB 2 45 SER H 4.165 . 6.530 3.956 2.986 4.583 . 0 0 "[ . 1 .]" 3
124 1 82 ALA MB 2 66 VAL H 4.165 . 6.530 4.557 4.103 5.268 . 0 0 "[ . 1 .]" 3
125 1 81 ALA H 2 67 THR MG 4.165 . 6.530 5.192 4.729 5.884 . 0 0 "[ . 1 .]" 3
126 1 81 ALA H 2 69 ILE MG 4.165 . 6.530 4.653 3.843 5.378 . 0 0 "[ . 1 .]" 3
127 1 81 ALA H 2 69 ILE MD 4.165 . 6.530 3.612 1.885 5.057 . 0 0 "[ . 1 .]" 3
128 1 83 SER H 2 48 LEU MD1 4.165 . 6.530 4.034 3.158 4.732 . 0 0 "[ . 1 .]" 3
129 1 85 TRP H 2 52 ILE MD 4.165 . 6.530 5.573 4.409 6.329 . 0 0 "[ . 1 .]" 3
130 1 85 TRP HE1 2 52 ILE MG 4.165 . 6.530 5.390 4.673 5.884 . 0 0 "[ . 1 .]" 3
131 1 82 ALA MB 2 67 THR H 4.165 . 6.530 4.413 3.703 4.998 . 0 0 "[ . 1 .]" 3
132 1 80 THR MG 2 70 ILE H 4.165 . 6.530 4.851 4.274 5.380 . 0 0 "[ . 1 .]" 3
133 1 79 HIS H 2 70 ILE MD 4.165 . 6.530 2.644 1.269 4.302 0.531 8 1 "[ . + 1 .]" 3
134 1 83 SER H 2 66 VAL MG2 4.165 . 6.530 4.164 3.740 5.088 . 0 0 "[ . 1 .]" 3
135 1 85 TRP H 2 65 VAL MG2 4.165 . 6.530 3.995 2.872 5.029 . 0 0 "[ . 1 .]" 3
136 1 80 THR HA 2 69 ILE HA 2.905 . 4.010 1.825 0.862 2.838 0.938 3 4 "[- + . * 1 *]" 3
137 1 82 ALA HA 2 67 THR HA 2.440 . 3.080 1.596 0.689 2.207 1.111 1 3 "[+ . * -]" 3
138 1 80 THR HB 2 69 ILE HA 3.650 . 5.500 4.671 3.343 5.768 0.268 4 0 "[ . 1 .]" 3
139 1 80 THR HA 2 69 ILE QG 4.090 . 6.380 2.298 1.204 3.247 0.596 10 1 "[ . + .]" 3
140 1 80 THR HB 2 69 ILE QG 4.090 . 6.380 3.439 2.562 4.428 . 0 0 "[ . 1 .]" 3
141 1 82 ALA HA 2 67 THR HB 3.185 . 4.570 2.463 1.539 3.427 0.261 9 0 "[ . 1 .]" 3
142 1 82 ALA MB 2 67 THR MG 3.825 . 5.850 3.092 2.448 3.828 . 0 0 "[ . 1 .]" 3
143 1 82 ALA MB 2 67 THR HA 2.785 . 3.770 2.845 2.081 3.365 . 0 0 "[ . 1 .]" 3
144 1 82 ALA HA 2 48 LEU MD2 3.050 . 4.300 2.386 1.521 3.069 0.279 3 0 "[ . 1 .]" 3
145 1 82 ALA MB 2 48 LEU MD2 3.375 . 4.950 3.479 2.638 3.978 . 0 0 "[ . 1 .]" 3
146 1 81 ALA HA 2 44 THR MG 4.025 . 6.250 4.021 3.117 5.048 . 0 0 "[ . 1 .]" 3
147 1 81 ALA HA 2 48 LEU MD2 3.715 . 5.630 3.259 2.867 3.664 . 0 0 "[ . 1 .]" 3
148 1 80 THR HA 2 44 THR MG 4.055 . 6.310 4.518 3.474 5.363 . 0 0 "[ . 1 .]" 3
149 1 80 THR HB 2 69 ILE MG 4.165 . 6.530 4.489 3.653 5.499 . 0 0 "[ . 1 .]" 3
150 1 80 THR MG 2 69 ILE QG 4.430 . 7.060 1.591 0.877 2.202 0.923 8 5 "[* - . +*1 *]" 3
151 1 80 THR MG 2 69 ILE MG 4.135 . 6.470 3.425 3.030 3.883 . 0 0 "[ . 1 .]" 3
152 1 80 THR MG 2 69 ILE HB 4.165 . 6.530 3.985 3.353 4.772 . 0 0 "[ . 1 .]" 3
153 1 80 THR MG 2 69 ILE HA 3.390 . 4.980 3.137 2.417 3.740 . 0 0 "[ . 1 .]" 3
154 1 82 ALA HA 2 67 THR MG 3.340 . 4.880 3.857 3.205 4.619 . 0 0 "[ . 1 .]" 3
155 1 82 ALA MB 2 67 THR HB 3.125 . 4.450 1.819 1.206 2.569 0.594 10 2 "[- . + .]" 3
156 1 83 SER HB3 2 48 LEU MD1 3.480 . 5.160 4.142 3.498 4.716 . 0 0 "[ . 1 .]" 3
157 1 81 ALA MB 2 48 LEU MD2 3.825 . 5.850 1.712 1.383 2.143 0.417 11 0 "[ . 1 .]" 3
158 1 83 SER HB2 2 48 LEU MD1 3.480 . 5.160 4.146 3.481 4.799 . 0 0 "[ . 1 .]" 3
159 1 83 SER HB2 2 48 LEU MD2 3.450 . 5.100 3.094 2.334 3.983 . 0 0 "[ . 1 .]" 3
160 1 82 ALA HA 2 48 LEU MD1 3.390 . 4.980 3.709 2.817 4.275 . 0 0 "[ . 1 .]" 3
161 1 81 ALA MB 2 44 THR MG 4.025 . 6.250 1.791 1.078 2.534 0.722 3 1 "[ + . 1 .]" 3
162 1 81 ALA MB 2 44 THR HB 3.605 . 5.410 4.130 3.339 5.081 . 0 0 "[ . 1 .]" 3
163 1 80 THR HA 2 69 ILE MG 3.700 . 5.600 2.982 1.947 3.965 . 0 0 "[ . 1 .]" 3
164 1 83 SER HB3 2 48 LEU MD2 3.450 . 5.100 4.015 3.350 4.726 . 0 0 "[ . 1 .]" 3
165 1 83 SER HB2 2 66 VAL MG1 3.885 . 5.970 4.549 3.831 5.164 . 0 0 "[ . 1 .]" 3
166 1 83 SER HB3 2 66 VAL MG1 3.885 . 5.970 3.786 2.939 4.400 . 0 0 "[ . 1 .]" 3
167 1 83 SER HB2 2 66 VAL MG2 3.885 . 5.970 4.385 2.899 5.257 . 0 0 "[ . 1 .]" 3
168 1 83 SER HB3 2 66 VAL MG2 3.885 . 5.970 3.023 1.640 3.829 0.160 15 0 "[ . 1 .]" 3
169 1 82 ALA MB 2 65 VAL MG1 4.540 . 7.280 4.189 3.261 4.692 . 0 0 "[ . 1 .]" 3
170 1 108 THR MG 2 82 ALA MB 4.680 . 7.560 4.770 4.176 5.394 . 0 0 "[ . 1 .]" 3
171 1 81 ALA MB 2 48 LEU MD1 3.810 . 5.820 3.087 2.634 3.526 . 0 0 "[ . 1 .]" 3
172 1 81 ALA MB 2 48 LEU HB2 3.250 . 4.700 3.782 3.353 4.674 . 0 0 "[ . 1 .]" 3
173 1 81 ALA MB 2 48 LEU HG 3.930 . 6.060 4.085 3.527 4.601 . 0 0 "[ . 1 .]" 3
174 1 81 ALA MB 2 68 CYS HB2 4.165 . 6.530 3.099 2.111 4.485 . 0 0 "[ . 1 .]" 3
175 1 81 ALA MB 2 68 CYS HB3 4.165 . 6.530 2.892 1.481 4.450 0.319 8 0 "[ . 1 .]" 3
176 1 80 THR MG 2 67 THR MG 4.680 . 7.560 4.043 3.527 4.539 . 0 0 "[ . 1 .]" 3
177 1 80 THR MG 2 69 ILE MD 4.680 . 7.560 2.169 0.928 3.006 0.872 10 1 "[ . + .]" 3
178 1 81 ALA MB 2 44 THR HA 4.100 . 6.400 4.644 3.692 5.502 . 0 0 "[ . 1 .]" 3
179 1 83 SER QB 2 48 LEU HB2 3.825 . 5.850 3.371 2.441 4.155 . 0 0 "[ . 1 .]" 3
180 1 83 SER QB 2 48 LEU HB3 3.995 . 6.190 1.930 0.951 2.619 0.849 3 2 "[- + . 1 .]" 3
181 1 83 SER QB 2 48 LEU MD2 3.270 . 4.740 2.990 2.304 3.785 . 0 0 "[ . 1 .]" 3
182 1 81 ALA MB 2 66 VAL QG 5.460 . 9.120 5.028 4.686 5.398 . 0 0 "[ . 1 .]" 3
183 1 83 SER QB 2 66 VAL QG 3.685 . 5.570 2.790 1.629 3.392 0.171 15 0 "[ . 1 .]" 3
184 1 78 LEU QD 2 72 GLN H 4.950 . 8.100 4.357 3.088 6.051 . 0 0 "[ . 1 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 451
_Distance_constraint_stats_list.Viol_total 291.984
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0383
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0240
_Distance_constraint_stats_list.Viol_average_violations_only 0.0432
_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 5 ASP 0.423 0.101 1 0 "[ . 1 .]"
1 7 ALA 0.632 0.091 6 0 "[ . 1 .]"
1 15 ALA 0.253 0.072 5 0 "[ . 1 .]"
1 16 ASP 0.538 0.087 11 0 "[ . 1 .]"
1 19 SER 0.253 0.072 5 0 "[ . 1 .]"
1 20 ASN 0.538 0.087 11 0 "[ . 1 .]"
1 22 ILE 0.738 0.127 15 0 "[ . 1 .]"
1 26 ILE 0.738 0.127 15 0 "[ . 1 .]"
1 27 ASP 2.953 0.230 7 0 "[ . 1 .]"
1 28 ALA 1.471 0.144 15 0 "[ . 1 .]"
1 31 GLN 2.953 0.230 7 0 "[ . 1 .]"
1 32 ASN 1.471 0.144 15 0 "[ . 1 .]"
1 36 SER 0.998 0.113 11 0 "[ . 1 .]"
1 40 VAL 0.998 0.113 11 0 "[ . 1 .]"
1 51 CYS 1.062 0.116 15 0 "[ . 1 .]"
1 54 ARG 0.944 0.109 15 0 "[ . 1 .]"
1 55 LEU 1.568 0.116 15 0 "[ . 1 .]"
1 58 LEU 0.944 0.109 15 0 "[ . 1 .]"
1 59 ASN 0.506 0.080 5 0 "[ . 1 .]"
1 63 LYS 1.455 0.195 15 0 "[ . 1 .]"
1 65 VAL 0.720 0.097 15 0 "[ . 1 .]"
1 67 THR 1.149 0.092 13 0 "[ . 1 .]"
1 69 ILE 1.072 0.075 8 0 "[ . 1 .]"
1 71 MET 1.012 0.083 8 0 "[ . 1 .]"
1 89 THR 0.990 0.154 11 0 "[ . 1 .]"
1 94 ARG 1.443 0.110 5 0 "[ . 1 .]"
1 96 VAL 0.673 0.059 5 0 "[ . 1 .]"
1 98 TRP 0.432 0.068 2 0 "[ . 1 .]"
1 99 GLU 0.632 0.091 6 0 "[ . 1 .]"
1 100 ASN 0.423 0.101 1 0 "[ . 1 .]"
1 104 TYR 1.012 0.083 8 0 "[ . 1 .]"
1 105 CYS 0.432 0.068 2 0 "[ . 1 .]"
1 106 ILE 1.072 0.075 8 0 "[ . 1 .]"
1 107 CYS 0.673 0.059 5 0 "[ . 1 .]"
1 108 THR 1.149 0.092 13 0 "[ . 1 .]"
1 109 VAL 1.443 0.110 5 0 "[ . 1 .]"
1 110 PHE 0.720 0.097 15 0 "[ . 1 .]"
1 112 LEU 1.455 0.195 15 0 "[ . 1 .]"
1 113 ALA 0.990 0.154 11 0 "[ . 1 .]"
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 5 ASP H 1 100 ASN O 1.900 . 2.000 2.019 1.891 2.101 0.101 1 0 "[ . 1 .]" 4
2 1 5 ASP N 1 100 ASN O 2.850 2.700 3.000 2.798 2.691 2.941 0.009 2 0 "[ . 1 .]" 4
3 1 7 ALA H 1 99 GLU O 1.900 . 2.000 2.025 1.902 2.091 0.091 6 0 "[ . 1 .]" 4
4 1 7 ALA N 1 99 GLU O 2.850 2.700 3.000 2.846 2.646 2.961 0.054 9 0 "[ . 1 .]" 4
5 1 55 LEU O 1 59 ASN H 1.900 . 2.000 1.999 1.788 2.080 0.080 5 0 "[ . 1 .]" 4
6 1 55 LEU O 1 59 ASN N 2.850 2.700 3.000 2.748 2.648 3.025 0.052 15 0 "[ . 1 .]" 4
7 1 54 ARG O 1 58 LEU H 1.900 . 2.000 2.061 2.020 2.109 0.109 15 0 "[ . 1 .]" 4
8 1 54 ARG O 1 58 LEU N 2.850 2.700 3.000 2.943 2.859 3.020 0.020 4 0 "[ . 1 .]" 4
9 1 51 CYS O 1 55 LEU H 1.900 . 2.000 1.999 1.728 2.116 0.116 15 0 "[ . 1 .]" 4
10 1 51 CYS O 1 55 LEU N 2.850 2.700 3.000 2.934 2.675 3.087 0.087 15 0 "[ . 1 .]" 4
11 1 36 SER O 1 40 VAL H 1.900 . 2.000 1.979 1.921 2.030 0.030 11 0 "[ . 1 .]" 4
12 1 36 SER O 1 40 VAL N 2.850 2.700 3.000 2.637 2.587 2.691 0.113 11 0 "[ . 1 .]" 4
13 1 28 ALA O 1 32 ASN H 1.900 . 2.000 2.097 2.027 2.144 0.144 15 0 "[ . 1 .]" 4
14 1 28 ALA O 1 32 ASN N 2.850 2.700 3.000 2.906 2.830 3.021 0.021 12 0 "[ . 1 .]" 4
15 1 27 ASP O 1 31 GLN H 1.900 . 2.000 2.194 2.146 2.230 0.230 7 0 "[ . 1 .]" 4
16 1 27 ASP O 1 31 GLN N 2.850 2.700 3.000 2.994 2.975 3.016 0.016 14 0 "[ . 1 .]" 4
17 1 22 ILE O 1 26 ILE H 1.900 . 2.000 1.988 1.740 2.127 0.127 15 0 "[ . 1 .]" 4
18 1 22 ILE O 1 26 ILE N 2.850 2.700 3.000 2.909 2.692 3.025 0.025 15 0 "[ . 1 .]" 4
19 1 16 ASP O 1 20 ASN H 1.900 . 2.000 2.017 1.799 2.087 0.087 11 0 "[ . 1 .]" 4
20 1 16 ASP O 1 20 ASN N 2.850 2.700 3.000 2.956 2.729 3.035 0.035 11 0 "[ . 1 .]" 4
21 1 15 ALA O 1 19 SER H 1.900 . 2.000 1.943 1.785 2.072 0.072 5 0 "[ . 1 .]" 4
22 1 15 ALA O 1 19 SER N 2.850 2.700 3.000 2.828 2.655 2.999 0.045 1 0 "[ . 1 .]" 4
23 1 63 LYS O 1 112 LEU H 1.900 . 2.000 2.088 2.040 2.195 0.195 15 0 "[ . 1 .]" 4
24 1 63 LYS O 1 112 LEU N 2.850 2.700 3.000 2.734 2.660 2.849 0.040 14 0 "[ . 1 .]" 4
25 1 65 VAL H 1 110 PHE O 1.900 . 2.000 1.853 1.737 2.004 0.063 7 0 "[ . 1 .]" 4
26 1 65 VAL N 1 110 PHE O 2.850 2.700 3.000 2.760 2.625 2.927 0.075 15 0 "[ . 1 .]" 4
27 1 65 VAL O 1 110 PHE H 1.900 . 2.000 1.881 1.724 2.092 0.092 2 0 "[ . 1 .]" 4
28 1 65 VAL O 1 110 PHE N 2.850 2.700 3.000 2.787 2.603 2.943 0.097 15 0 "[ . 1 .]" 4
29 1 67 THR H 1 108 THR O 1.900 . 2.000 2.016 1.893 2.092 0.092 13 0 "[ . 1 .]" 4
30 1 67 THR N 1 108 THR O 2.850 2.700 3.000 2.960 2.814 3.017 0.017 12 0 "[ . 1 .]" 4
31 1 67 THR O 1 108 THR H 1.900 . 2.000 1.810 1.746 1.933 0.054 1 0 "[ . 1 .]" 4
32 1 67 THR O 1 108 THR N 2.850 2.700 3.000 2.693 2.635 2.794 0.065 1 0 "[ . 1 .]" 4
33 1 69 ILE H 1 106 ILE O 1.900 . 2.000 1.802 1.725 2.021 0.075 8 0 "[ . 1 .]" 4
34 1 69 ILE N 1 106 ILE O 2.850 2.700 3.000 2.704 2.647 2.910 0.053 5 0 "[ . 1 .]" 4
35 1 69 ILE O 1 106 ILE H 1.900 . 2.000 1.993 1.845 2.059 0.059 5 0 "[ . 1 .]" 4
36 1 69 ILE O 1 106 ILE N 2.850 2.700 3.000 2.902 2.719 3.020 0.020 12 0 "[ . 1 .]" 4
37 1 71 MET H 1 104 TYR O 1.900 . 2.000 1.869 1.778 2.003 0.022 6 0 "[ . 1 .]" 4
38 1 71 MET N 1 104 TYR O 2.850 2.700 3.000 2.769 2.629 2.966 0.071 14 0 "[ . 1 .]" 4
39 1 71 MET O 1 104 TYR H 1.900 . 2.000 2.044 2.018 2.083 0.083 8 0 "[ . 1 .]" 4
40 1 71 MET O 1 104 TYR N 2.850 2.700 3.000 2.977 2.891 3.037 0.037 8 0 "[ . 1 .]" 4
41 1 94 ARG H 1 109 VAL O 1.900 . 2.000 2.067 2.006 2.110 0.110 5 0 "[ . 1 .]" 4
42 1 94 ARG N 1 109 VAL O 2.850 2.700 3.000 2.872 2.702 3.007 0.007 2 0 "[ . 1 .]" 4
43 1 94 ARG O 1 109 VAL H 1.900 . 2.000 1.808 1.746 1.912 0.054 14 0 "[ . 1 .]" 4
44 1 94 ARG O 1 109 VAL N 2.850 2.700 3.000 2.734 2.630 2.879 0.070 5 0 "[ . 1 .]" 4
45 1 96 VAL H 1 107 CYS O 1.900 . 2.000 1.989 1.899 2.043 0.043 7 0 "[ . 1 .]" 4
46 1 96 VAL N 1 107 CYS O 2.850 2.700 3.000 2.726 2.672 2.839 0.028 12 0 "[ . 1 .]" 4
47 1 96 VAL O 1 107 CYS H 1.900 . 2.000 1.822 1.741 1.951 0.059 5 0 "[ . 1 .]" 4
48 1 96 VAL O 1 107 CYS N 2.850 2.700 3.000 2.726 2.650 2.855 0.050 10 0 "[ . 1 .]" 4
49 1 98 TRP H 1 105 CYS O 1.900 . 2.000 1.842 1.766 2.015 0.034 13 0 "[ . 1 .]" 4
50 1 98 TRP N 1 105 CYS O 2.850 2.700 3.000 2.761 2.689 2.971 0.011 9 0 "[ . 1 .]" 4
51 1 98 TRP O 1 105 CYS H 1.900 . 2.000 1.946 1.798 2.068 0.068 2 0 "[ . 1 .]" 4
52 1 98 TRP O 1 105 CYS N 2.850 2.700 3.000 2.821 2.657 2.987 0.043 9 0 "[ . 1 .]" 4
53 1 89 THR O 1 113 ALA H 1.900 . 2.000 2.007 1.840 2.154 0.154 11 0 "[ . 1 .]" 4
54 1 89 THR O 1 113 ALA N 2.850 2.700 3.000 2.740 2.612 2.934 0.088 8 0 "[ . 1 .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 447
_Distance_constraint_stats_list.Viol_total 292.270
_Distance_constraint_stats_list.Viol_max 0.232
_Distance_constraint_stats_list.Viol_rms 0.0384
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0241
_Distance_constraint_stats_list.Viol_average_violations_only 0.0436
_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
2 5 ASP 0.424 0.101 1 0 "[ . 1 .]"
2 7 ALA 0.637 0.089 6 0 "[ . 1 .]"
2 15 ALA 0.258 0.073 5 0 "[ . 1 .]"
2 16 ASP 0.546 0.087 11 0 "[ . 1 .]"
2 19 SER 0.258 0.073 5 0 "[ . 1 .]"
2 20 ASN 0.546 0.087 11 0 "[ . 1 .]"
2 22 ILE 0.734 0.128 15 0 "[ . 1 .]"
2 26 ILE 0.734 0.128 15 0 "[ . 1 .]"
2 27 ASP 2.952 0.232 7 0 "[ . 1 .]"
2 28 ALA 1.476 0.146 15 0 "[ . 1 .]"
2 31 GLN 2.952 0.232 7 0 "[ . 1 .]"
2 32 ASN 1.476 0.146 15 0 "[ . 1 .]"
2 36 SER 1.004 0.113 11 0 "[ . 1 .]"
2 40 VAL 1.004 0.113 11 0 "[ . 1 .]"
2 51 CYS 1.063 0.117 15 0 "[ . 1 .]"
2 54 ARG 0.943 0.109 15 0 "[ . 1 .]"
2 55 LEU 1.565 0.117 15 0 "[ . 1 .]"
2 58 LEU 0.943 0.109 15 0 "[ . 1 .]"
2 59 ASN 0.502 0.078 5 0 "[ . 1 .]"
2 63 LYS 1.448 0.193 15 0 "[ . 1 .]"
2 65 VAL 0.717 0.098 15 0 "[ . 1 .]"
2 67 THR 1.148 0.093 13 0 "[ . 1 .]"
2 69 ILE 1.080 0.076 8 0 "[ . 1 .]"
2 71 MET 1.013 0.084 8 0 "[ . 1 .]"
2 89 THR 0.994 0.156 11 0 "[ . 1 .]"
2 94 ARG 1.442 0.111 5 0 "[ . 1 .]"
2 96 VAL 0.673 0.058 5 0 "[ . 1 .]"
2 98 TRP 0.429 0.069 2 0 "[ . 1 .]"
2 99 GLU 0.637 0.089 6 0 "[ . 1 .]"
2 100 ASN 0.424 0.101 1 0 "[ . 1 .]"
2 104 TYR 1.013 0.084 8 0 "[ . 1 .]"
2 105 CYS 0.429 0.069 2 0 "[ . 1 .]"
2 106 ILE 1.080 0.076 8 0 "[ . 1 .]"
2 107 CYS 0.673 0.058 5 0 "[ . 1 .]"
2 108 THR 1.148 0.093 13 0 "[ . 1 .]"
2 109 VAL 1.442 0.111 5 0 "[ . 1 .]"
2 110 PHE 0.717 0.098 15 0 "[ . 1 .]"
2 112 LEU 1.448 0.193 15 0 "[ . 1 .]"
2 113 ALA 0.994 0.156 11 0 "[ . 1 .]"
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 2 5 ASP H 2 100 ASN O 1.900 . 2.000 2.019 1.892 2.101 0.101 1 0 "[ . 1 .]" 5
2 2 5 ASP N 2 100 ASN O 2.850 2.700 3.000 2.798 2.690 2.940 0.010 2 0 "[ . 1 .]" 5
3 2 7 ALA H 2 99 GLU O 1.900 . 2.000 2.025 1.901 2.089 0.089 6 0 "[ . 1 .]" 5
4 2 7 ALA N 2 99 GLU O 2.850 2.700 3.000 2.846 2.645 2.961 0.055 9 0 "[ . 1 .]" 5
5 2 55 LEU O 2 59 ASN H 1.900 . 2.000 1.999 1.789 2.078 0.078 5 0 "[ . 1 .]" 5
6 2 55 LEU O 2 59 ASN N 2.850 2.700 3.000 2.748 2.649 3.024 0.051 15 0 "[ . 1 .]" 5
7 2 54 ARG O 2 58 LEU H 1.900 . 2.000 2.060 2.021 2.109 0.109 15 0 "[ . 1 .]" 5
8 2 54 ARG O 2 58 LEU N 2.850 2.700 3.000 2.943 2.859 3.020 0.020 4 0 "[ . 1 .]" 5
9 2 51 CYS O 2 55 LEU H 1.900 . 2.000 1.998 1.728 2.117 0.117 15 0 "[ . 1 .]" 5
10 2 51 CYS O 2 55 LEU N 2.850 2.700 3.000 2.934 2.674 3.087 0.087 15 0 "[ . 1 .]" 5
11 2 36 SER O 2 40 VAL H 1.900 . 2.000 1.980 1.921 2.031 0.031 11 0 "[ . 1 .]" 5
12 2 36 SER O 2 40 VAL N 2.850 2.700 3.000 2.637 2.587 2.692 0.113 11 0 "[ . 1 .]" 5
13 2 28 ALA O 2 32 ASN H 1.900 . 2.000 2.097 2.027 2.146 0.146 15 0 "[ . 1 .]" 5
14 2 28 ALA O 2 32 ASN N 2.850 2.700 3.000 2.906 2.830 3.021 0.021 12 0 "[ . 1 .]" 5
15 2 27 ASP O 2 31 GLN H 1.900 . 2.000 2.194 2.145 2.232 0.232 7 0 "[ . 1 .]" 5
16 2 27 ASP O 2 31 GLN N 2.850 2.700 3.000 2.994 2.974 3.017 0.017 14 0 "[ . 1 .]" 5
17 2 22 ILE O 2 26 ILE H 1.900 . 2.000 1.988 1.740 2.128 0.128 15 0 "[ . 1 .]" 5
18 2 22 ILE O 2 26 ILE N 2.850 2.700 3.000 2.909 2.691 3.025 0.025 15 0 "[ . 1 .]" 5
19 2 16 ASP O 2 20 ASN H 1.900 . 2.000 2.017 1.797 2.087 0.087 11 0 "[ . 1 .]" 5
20 2 16 ASP O 2 20 ASN N 2.850 2.700 3.000 2.956 2.727 3.035 0.035 11 0 "[ . 1 .]" 5
21 2 15 ALA O 2 19 SER H 1.900 . 2.000 1.943 1.785 2.073 0.073 5 0 "[ . 1 .]" 5
22 2 15 ALA O 2 19 SER N 2.850 2.700 3.000 2.828 2.654 2.999 0.046 1 0 "[ . 1 .]" 5
23 2 63 LYS O 2 112 LEU H 1.900 . 2.000 2.088 2.040 2.193 0.193 15 0 "[ . 1 .]" 5
24 2 63 LYS O 2 112 LEU N 2.850 2.700 3.000 2.734 2.659 2.849 0.041 14 0 "[ . 1 .]" 5
25 2 65 VAL H 2 110 PHE O 1.900 . 2.000 1.853 1.737 2.004 0.063 7 0 "[ . 1 .]" 5
26 2 65 VAL N 2 110 PHE O 2.850 2.700 3.000 2.760 2.624 2.927 0.076 15 0 "[ . 1 .]" 5
27 2 65 VAL O 2 110 PHE H 1.900 . 2.000 1.880 1.723 2.091 0.091 2 0 "[ . 1 .]" 5
28 2 65 VAL O 2 110 PHE N 2.850 2.700 3.000 2.787 2.602 2.943 0.098 15 0 "[ . 1 .]" 5
29 2 67 THR H 2 108 THR O 1.900 . 2.000 2.016 1.895 2.093 0.093 13 0 "[ . 1 .]" 5
30 2 67 THR N 2 108 THR O 2.850 2.700 3.000 2.960 2.814 3.016 0.016 12 0 "[ . 1 .]" 5
31 2 67 THR O 2 108 THR H 1.900 . 2.000 1.810 1.745 1.933 0.055 1 0 "[ . 1 .]" 5
32 2 67 THR O 2 108 THR N 2.850 2.700 3.000 2.693 2.636 2.793 0.064 1 0 "[ . 1 .]" 5
33 2 69 ILE H 2 106 ILE O 1.900 . 2.000 1.802 1.724 2.021 0.076 8 0 "[ . 1 .]" 5
34 2 69 ILE N 2 106 ILE O 2.850 2.700 3.000 2.704 2.648 2.911 0.052 5 0 "[ . 1 .]" 5
35 2 69 ILE O 2 106 ILE H 1.900 . 2.000 1.994 1.844 2.060 0.060 5 0 "[ . 1 .]" 5
36 2 69 ILE O 2 106 ILE N 2.850 2.700 3.000 2.902 2.719 3.021 0.021 12 0 "[ . 1 .]" 5
37 2 71 MET H 2 104 TYR O 1.900 . 2.000 1.869 1.778 2.004 0.022 6 0 "[ . 1 .]" 5
38 2 71 MET N 2 104 TYR O 2.850 2.700 3.000 2.769 2.630 2.967 0.070 14 0 "[ . 1 .]" 5
39 2 71 MET O 2 104 TYR H 1.900 . 2.000 2.045 2.017 2.084 0.084 8 0 "[ . 1 .]" 5
40 2 71 MET O 2 104 TYR N 2.850 2.700 3.000 2.977 2.891 3.038 0.038 8 0 "[ . 1 .]" 5
41 2 94 ARG H 2 109 VAL O 1.900 . 2.000 2.067 2.006 2.111 0.111 5 0 "[ . 1 .]" 5
42 2 94 ARG N 2 109 VAL O 2.850 2.700 3.000 2.872 2.702 3.006 0.006 2 0 "[ . 1 .]" 5
43 2 94 ARG O 2 109 VAL H 1.900 . 2.000 1.808 1.746 1.912 0.054 14 0 "[ . 1 .]" 5
44 2 94 ARG O 2 109 VAL N 2.850 2.700 3.000 2.734 2.630 2.880 0.070 5 0 "[ . 1 .]" 5
45 2 96 VAL H 2 107 CYS O 1.900 . 2.000 1.989 1.899 2.044 0.044 7 0 "[ . 1 .]" 5
46 2 96 VAL N 2 107 CYS O 2.850 2.700 3.000 2.726 2.672 2.840 0.028 12 0 "[ . 1 .]" 5
47 2 96 VAL O 2 107 CYS H 1.900 . 2.000 1.822 1.742 1.951 0.058 5 0 "[ . 1 .]" 5
48 2 96 VAL O 2 107 CYS N 2.850 2.700 3.000 2.727 2.649 2.856 0.051 10 0 "[ . 1 .]" 5
49 2 98 TRP H 2 105 CYS O 1.900 . 2.000 1.842 1.767 2.014 0.033 13 0 "[ . 1 .]" 5
50 2 98 TRP N 2 105 CYS O 2.850 2.700 3.000 2.761 2.689 2.971 0.011 9 0 "[ . 1 .]" 5
51 2 98 TRP O 2 105 CYS H 1.900 . 2.000 1.946 1.797 2.069 0.069 2 0 "[ . 1 .]" 5
52 2 98 TRP O 2 105 CYS N 2.850 2.700 3.000 2.821 2.657 2.987 0.043 9 0 "[ . 1 .]" 5
53 2 89 THR O 2 113 ALA H 1.900 . 2.000 2.007 1.841 2.156 0.156 11 0 "[ . 1 .]" 5
54 2 89 THR O 2 113 ALA N 2.850 2.700 3.000 2.740 2.611 2.934 0.089 8 0 "[ . 1 .]" 5
stop_
save_
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