NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404646 |
1x48   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x48
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 1066
_Distance_constraint_stats_list.Viol_count 256
_Distance_constraint_stats_list.Viol_total 72.062
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0141
_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 8 TYR 0.442 0.065 7 0 "[ . 1 . 2]"
1 9 ILE 0.771 0.065 7 0 "[ . 1 . 2]"
1 10 GLY 0.004 0.004 12 0 "[ . 1 . 2]"
1 11 LEU 0.050 0.014 2 0 "[ . 1 . 2]"
1 12 VAL 0.030 0.016 2 0 "[ . 1 . 2]"
1 13 ASN 0.012 0.005 7 0 "[ . 1 . 2]"
1 14 SER 0.003 0.002 18 0 "[ . 1 . 2]"
1 15 PHE 0.005 0.003 14 0 "[ . 1 . 2]"
1 16 ALA 0.027 0.018 14 0 "[ . 1 . 2]"
1 17 GLN 0.617 0.071 16 0 "[ . 1 . 2]"
1 18 LYS 0.005 0.003 15 0 "[ . 1 . 2]"
1 19 LYS 0.018 0.005 8 0 "[ . 1 . 2]"
1 20 LYS 0.037 0.007 8 0 "[ . 1 . 2]"
1 21 LEU 0.052 0.010 4 0 "[ . 1 . 2]"
1 22 SER 0.090 0.024 14 0 "[ . 1 . 2]"
1 23 VAL 0.042 0.035 16 0 "[ . 1 . 2]"
1 24 ASN 0.010 0.006 14 0 "[ . 1 . 2]"
1 25 TYR 0.003 0.003 20 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.003 0.003 10 0 "[ . 1 . 2]"
1 28 CYS 0.002 0.002 4 0 "[ . 1 . 2]"
1 29 GLU 0.006 0.006 10 0 "[ . 1 . 2]"
1 30 PRO 0.006 0.006 10 0 "[ . 1 . 2]"
1 33 GLU 0.044 0.023 10 0 "[ . 1 . 2]"
1 34 LEU 0.044 0.023 10 0 "[ . 1 . 2]"
1 35 PRO 0.002 0.002 6 0 "[ . 1 . 2]"
1 36 GLN 0.002 0.002 1 0 "[ . 1 . 2]"
1 37 ARG 0.853 0.142 11 0 "[ . 1 . 2]"
1 38 PHE 0.005 0.005 17 0 "[ . 1 . 2]"
1 39 ILE 0.013 0.005 16 0 "[ . 1 . 2]"
1 40 CYS 0.022 0.022 19 0 "[ . 1 . 2]"
1 41 LYS 0.080 0.074 12 0 "[ . 1 . 2]"
1 42 CYS 0.023 0.020 14 0 "[ . 1 . 2]"
1 43 LYS 0.021 0.006 17 0 "[ . 1 . 2]"
1 44 ILE 0.179 0.035 16 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 MET 0.036 0.009 12 0 "[ . 1 . 2]"
1 49 TYR 0.005 0.005 2 0 "[ . 1 . 2]"
1 50 GLY 0.039 0.008 14 0 "[ . 1 . 2]"
1 51 THR 0.012 0.009 12 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.014 0.005 16 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 14 0 "[ . 1 . 2]"
1 55 VAL 0.015 0.013 17 0 "[ . 1 . 2]"
1 56 THR 0.003 0.001 12 0 "[ . 1 . 2]"
1 57 LYS 0.013 0.005 17 0 "[ . 1 . 2]"
1 58 GLN 0.024 0.014 10 0 "[ . 1 . 2]"
1 59 GLU 0.027 0.014 10 0 "[ . 1 . 2]"
1 60 ALA 0.000 0.000 14 0 "[ . 1 . 2]"
1 61 LYS 0.008 0.005 17 0 "[ . 1 . 2]"
1 62 GLN 0.128 0.021 17 0 "[ . 1 . 2]"
1 63 LEU 0.137 0.024 15 0 "[ . 1 . 2]"
1 64 ALA 0.029 0.022 19 0 "[ . 1 . 2]"
1 65 ALA 0.109 0.021 17 0 "[ . 1 . 2]"
1 66 LYS 0.047 0.024 15 0 "[ . 1 . 2]"
1 67 GLU 0.010 0.005 15 0 "[ . 1 . 2]"
1 68 ALA 0.046 0.020 14 0 "[ . 1 . 2]"
1 69 TYR 0.038 0.011 2 0 "[ . 1 . 2]"
1 70 GLN 0.001 0.001 11 0 "[ . 1 . 2]"
1 71 LYS 0.005 0.005 2 0 "[ . 1 . 2]"
1 72 LEU 0.071 0.026 14 0 "[ . 1 . 2]"
1 73 LEU 0.009 0.004 4 0 "[ . 1 . 2]"
1 74 LYS 0.511 0.160 19 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.039 0.026 14 0 "[ . 1 . 2]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 43 LYS H 1 43 LYS HB3 . . 3.760 3.583 3.542 3.646 . 0 0 "[ . 1 . 2]" 1
2 1 43 LYS H 1 43 LYS HB2 . . 3.920 2.405 2.341 2.482 . 0 0 "[ . 1 . 2]" 1
3 1 39 ILE HA 1 40 CYS H . . 3.380 2.177 2.139 2.270 . 0 0 "[ . 1 . 2]" 1
4 1 24 ASN H 1 24 ASN HB3 . . 3.730 3.495 2.892 3.727 . 0 0 "[ . 1 . 2]" 1
5 1 24 ASN H 1 43 LYS H . . 3.210 3.103 2.796 3.216 0.006 14 0 "[ . 1 . 2]" 1
6 1 23 VAL HA 1 24 ASN H . . 2.900 2.166 2.143 2.211 . 0 0 "[ . 1 . 2]" 1
7 1 24 ASN H 1 24 ASN HB2 . . 3.730 2.614 2.483 2.861 . 0 0 "[ . 1 . 2]" 1
8 1 23 VAL QG 1 24 ASN H . . 3.520 2.413 2.130 2.624 . 0 0 "[ . 1 . 2]" 1
9 1 63 LEU HB3 1 64 ALA H . . 4.480 3.565 3.372 3.713 . 0 0 "[ . 1 . 2]" 1
10 1 37 ARG H 1 37 ARG HB3 . . 4.160 2.885 2.318 3.379 . 0 0 "[ . 1 . 2]" 1
11 1 41 LYS HA 1 42 CYS H . . 3.220 2.151 2.140 2.183 . 0 0 "[ . 1 . 2]" 1
12 1 42 CYS H 1 64 ALA MB . . 3.850 2.593 2.283 3.194 . 0 0 "[ . 1 . 2]" 1
13 1 42 CYS H 1 42 CYS HB3 . . 4.140 2.677 2.339 3.101 . 0 0 "[ . 1 . 2]" 1
14 1 41 LYS QB 1 42 CYS H . . 4.250 3.358 3.019 3.866 . 0 0 "[ . 1 . 2]" 1
15 1 22 SER HA 1 23 VAL H . . 2.950 2.151 2.138 2.207 . 0 0 "[ . 1 . 2]" 1
16 1 22 SER QB 1 23 VAL H . . 3.730 3.458 3.334 3.580 . 0 0 "[ . 1 . 2]" 1
17 1 23 VAL H 1 23 VAL QG . . 3.800 2.328 2.255 2.425 . 0 0 "[ . 1 . 2]" 1
18 1 28 CYS H 1 40 CYS HA . . 4.440 3.974 2.979 4.440 0.000 6 0 "[ . 1 . 2]" 1
19 1 14 SER HB2 1 15 PHE H . . 4.340 2.862 2.124 3.996 . 0 0 "[ . 1 . 2]" 1
20 1 14 SER HB3 1 15 PHE H . . 4.340 3.387 2.207 3.932 . 0 0 "[ . 1 . 2]" 1
21 1 15 PHE H 1 15 PHE HB2 . . 3.180 2.266 2.189 2.604 . 0 0 "[ . 1 . 2]" 1
22 1 15 PHE H 1 15 PHE HB3 . . 3.180 2.889 2.458 3.079 . 0 0 "[ . 1 . 2]" 1
23 1 43 LYS HB3 1 44 ILE H . . 3.790 3.259 2.913 3.528 . 0 0 "[ . 1 . 2]" 1
24 1 44 ILE H 1 44 ILE HB . . 3.750 2.724 2.416 2.871 . 0 0 "[ . 1 . 2]" 1
25 1 11 LEU H 1 11 LEU HG . . 3.120 2.605 2.520 2.720 . 0 0 "[ . 1 . 2]" 1
26 1 11 LEU H 1 11 LEU HB3 . . 4.040 3.568 3.545 3.588 . 0 0 "[ . 1 . 2]" 1
27 1 11 LEU H 1 11 LEU MD2 . . 3.840 3.652 3.432 3.788 . 0 0 "[ . 1 . 2]" 1
28 1 11 LEU H 1 11 LEU MD1 . . 4.200 3.714 3.586 3.891 . 0 0 "[ . 1 . 2]" 1
29 1 57 LYS H 1 57 LYS HG3 . . 4.840 4.000 2.511 4.536 . 0 0 "[ . 1 . 2]" 1
30 1 56 THR HB 1 57 LYS H . . 4.040 3.809 3.682 4.031 . 0 0 "[ . 1 . 2]" 1
31 1 71 LYS H 1 72 LEU H . . 3.690 2.806 2.372 3.053 . 0 0 "[ . 1 . 2]" 1
32 1 72 LEU H 1 73 LEU H . . 3.940 2.680 2.301 2.910 . 0 0 "[ . 1 . 2]" 1
33 1 72 LEU H 1 72 LEU HB2 . . 3.930 2.197 2.162 2.353 . 0 0 "[ . 1 . 2]" 1
34 1 72 LEU H 1 72 LEU MD1 . . 3.890 3.712 3.500 3.844 . 0 0 "[ . 1 . 2]" 1
35 1 72 LEU H 1 72 LEU MD2 . . 4.440 3.927 3.723 4.087 . 0 0 "[ . 1 . 2]" 1
36 1 72 LEU H 1 72 LEU HB3 . . 3.930 3.499 3.473 3.568 . 0 0 "[ . 1 . 2]" 1
37 1 25 TYR H 1 25 TYR QD . . 4.000 2.990 2.529 3.294 . 0 0 "[ . 1 . 2]" 1
38 1 24 ASN HB2 1 25 TYR H . . 4.470 4.080 3.818 4.411 . 0 0 "[ . 1 . 2]" 1
39 1 37 ARG HA 1 38 PHE H . . 3.540 2.321 2.140 2.558 . 0 0 "[ . 1 . 2]" 1
40 1 35 PRO HB2 1 36 GLN H . . 4.510 2.649 2.276 3.361 . 0 0 "[ . 1 . 2]" 1
41 1 12 VAL H 1 13 ASN H . . 3.690 2.973 2.567 3.169 . 0 0 "[ . 1 . 2]" 1
42 1 11 LEU H 1 12 VAL H . . 3.760 3.059 2.871 3.182 . 0 0 "[ . 1 . 2]" 1
43 1 12 VAL H 1 12 VAL HB . . 3.560 2.487 2.363 2.588 . 0 0 "[ . 1 . 2]" 1
44 1 12 VAL H 1 12 VAL MG1 . . 4.560 3.674 2.123 3.774 . 0 0 "[ . 1 . 2]" 1
45 1 11 LEU HB3 1 12 VAL H . . 4.300 3.033 2.756 3.567 . 0 0 "[ . 1 . 2]" 1
46 1 12 VAL H 1 12 VAL MG2 . . 4.560 2.351 1.942 3.767 . 0 0 "[ . 1 . 2]" 1
47 1 8 TYR HB3 1 12 VAL H . . 5.120 4.379 4.086 4.872 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE H 1 9 ILE MD . . 3.650 2.364 2.261 2.528 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE H 1 10 GLY H . . 4.010 3.030 2.977 3.071 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE H 1 9 ILE HB . . 3.300 2.880 2.828 2.924 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE H 1 9 ILE HG12 . . 3.180 1.891 1.871 1.900 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE H 1 9 ILE MG . . 4.300 3.743 3.732 3.760 . 0 0 "[ . 1 . 2]" 1
53 1 39 ILE H 1 39 ILE MD . . 4.900 3.764 2.177 4.159 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE H 1 65 ALA MB . . 4.210 4.055 3.925 4.210 . 0 0 "[ . 1 . 2]" 1
55 1 68 ALA H 1 69 TYR H . . 4.020 2.880 2.730 3.014 . 0 0 "[ . 1 . 2]" 1
56 1 50 GLY HA2 1 68 ALA H . . 4.600 4.248 3.910 4.595 . 0 0 "[ . 1 . 2]" 1
57 1 50 GLY HA3 1 68 ALA H . . 3.560 2.732 2.403 3.071 . 0 0 "[ . 1 . 2]" 1
58 1 67 GLU QG 1 68 ALA H . . 4.700 4.052 3.677 4.557 . 0 0 "[ . 1 . 2]" 1
59 1 67 GLU QB 1 68 ALA H . . 3.700 2.465 2.251 2.698 . 0 0 "[ . 1 . 2]" 1
60 1 58 GLN H 1 59 GLU H . . 4.200 3.071 2.761 3.236 . 0 0 "[ . 1 . 2]" 1
61 1 58 GLN HB3 1 59 GLU H . . 3.630 2.232 1.967 2.679 . 0 0 "[ . 1 . 2]" 1
62 1 58 GLN HB2 1 59 GLU H . . 4.270 3.501 2.421 3.881 . 0 0 "[ . 1 . 2]" 1
63 1 33 GLU H 1 34 LEU H . . 4.450 3.900 2.209 4.473 0.023 10 0 "[ . 1 . 2]" 1
64 1 34 LEU H 1 34 LEU QB . . 3.580 2.396 2.152 2.897 . 0 0 "[ . 1 . 2]" 1
65 1 34 LEU H 1 34 LEU MD1 . . 5.500 3.419 1.876 4.333 . 0 0 "[ . 1 . 2]" 1
66 1 34 LEU H 1 34 LEU MD2 . . 5.500 3.466 1.957 4.493 . 0 0 "[ . 1 . 2]" 1
67 1 15 PHE H 1 16 ALA H . . 3.860 3.051 2.806 3.279 . 0 0 "[ . 1 . 2]" 1
68 1 15 PHE HB3 1 16 ALA H . . 3.930 2.231 1.899 2.675 . 0 0 "[ . 1 . 2]" 1
69 1 16 ALA H 1 16 ALA MB . . 3.330 2.147 2.027 2.241 . 0 0 "[ . 1 . 2]" 1
70 1 62 GLN HA 1 65 ALA H . . 4.150 3.920 3.736 4.080 . 0 0 "[ . 1 . 2]" 1
71 1 65 ALA H 1 65 ALA MB . . 3.270 2.056 2.027 2.113 . 0 0 "[ . 1 . 2]" 1
72 1 25 TYR QE 1 65 ALA H . . 4.650 3.755 2.897 4.334 . 0 0 "[ . 1 . 2]" 1
73 1 17 GLN HB3 1 18 LYS H . . 3.450 2.388 2.269 2.502 . 0 0 "[ . 1 . 2]" 1
74 1 17 GLN H 1 18 LYS H . . 3.540 2.938 2.838 3.025 . 0 0 "[ . 1 . 2]" 1
75 1 17 GLN HB2 1 18 LYS H . . 3.720 3.488 3.381 3.570 . 0 0 "[ . 1 . 2]" 1
76 1 18 LYS H 1 18 LYS QB . . 3.120 2.321 2.195 2.542 . 0 0 "[ . 1 . 2]" 1
77 1 18 LYS H 1 18 LYS QD . . 4.330 3.658 1.983 4.257 . 0 0 "[ . 1 . 2]" 1
78 1 60 ALA H 1 60 ALA MB . . 3.290 2.121 2.041 2.249 . 0 0 "[ . 1 . 2]" 1
79 1 59 GLU QB 1 60 ALA H . . 3.650 2.359 2.028 2.627 . 0 0 "[ . 1 . 2]" 1
80 1 44 ILE HA 1 45 GLY H . . 3.180 2.168 2.143 2.190 . 0 0 "[ . 1 . 2]" 1
81 1 44 ILE MG 1 45 GLY H . . 4.050 3.129 2.753 3.266 . 0 0 "[ . 1 . 2]" 1
82 1 56 THR HB 1 58 GLN H . . 4.470 3.723 3.186 4.132 . 0 0 "[ . 1 . 2]" 1
83 1 50 GLY HA2 1 51 THR H . . 3.330 2.328 2.177 2.455 . 0 0 "[ . 1 . 2]" 1
84 1 50 GLY HA3 1 51 THR H . . 3.360 2.836 2.674 3.080 . 0 0 "[ . 1 . 2]" 1
85 1 51 THR H 1 51 THR HB . . 3.400 2.871 2.551 3.386 . 0 0 "[ . 1 . 2]" 1
86 1 51 THR H 1 51 THR MG . . 4.450 3.474 1.948 3.976 . 0 0 "[ . 1 . 2]" 1
87 1 57 LYS HB3 1 58 GLN H . . 4.910 2.468 2.072 3.392 . 0 0 "[ . 1 . 2]" 1
88 1 51 THR H 1 67 GLU QB . . 3.990 2.980 2.544 3.338 . 0 0 "[ . 1 . 2]" 1
89 1 63 LEU H 1 63 LEU HB3 . . 3.830 3.590 3.580 3.607 . 0 0 "[ . 1 . 2]" 1
90 1 63 LEU H 1 63 LEU HG . . 3.470 1.997 1.900 2.244 . 0 0 "[ . 1 . 2]" 1
91 1 63 LEU H 1 63 LEU HB2 . . 3.440 2.654 2.523 2.711 . 0 0 "[ . 1 . 2]" 1
92 1 61 LYS H 1 61 LYS HB3 . . 3.310 2.846 2.631 3.016 . 0 0 "[ . 1 . 2]" 1
93 1 60 ALA H 1 61 LYS H . . 3.060 2.921 2.756 3.042 . 0 0 "[ . 1 . 2]" 1
94 1 70 GLN HB2 1 71 LYS H . . 4.280 2.568 2.060 3.671 . 0 0 "[ . 1 . 2]" 1
95 1 71 LYS H 1 71 LYS QB . . 3.040 2.239 2.156 2.342 . 0 0 "[ . 1 . 2]" 1
96 1 69 TYR H 1 69 TYR QD . . 4.330 4.127 4.011 4.205 . 0 0 "[ . 1 . 2]" 1
97 1 65 ALA HA 1 69 TYR H . . 4.960 3.786 3.574 3.966 . 0 0 "[ . 1 . 2]" 1
98 1 69 TYR H 1 69 TYR HB2 . . 3.600 2.395 2.284 2.552 . 0 0 "[ . 1 . 2]" 1
99 1 68 ALA MB 1 69 TYR H . . 3.810 2.400 2.111 2.722 . 0 0 "[ . 1 . 2]" 1
100 1 16 ALA HA 1 21 LEU H . . 3.880 3.455 3.156 3.704 . 0 0 "[ . 1 . 2]" 1
101 1 21 LEU H 1 21 LEU HB2 . . 3.120 2.285 2.210 2.343 . 0 0 "[ . 1 . 2]" 1
102 1 21 LEU H 1 21 LEU HB3 . . 3.710 3.555 3.489 3.596 . 0 0 "[ . 1 . 2]" 1
103 1 21 LEU H 1 21 LEU MD2 . . 4.450 4.171 4.083 4.259 . 0 0 "[ . 1 . 2]" 1
104 1 19 LYS H 1 21 LEU H . . 4.570 3.508 3.401 3.610 . 0 0 "[ . 1 . 2]" 1
105 1 20 LYS HA 1 21 LEU H . . 3.300 2.860 2.798 2.926 . 0 0 "[ . 1 . 2]" 1
106 1 21 LEU H 1 21 LEU HG . . 3.310 3.148 3.024 3.266 . 0 0 "[ . 1 . 2]" 1
107 1 17 GLN HA 1 21 LEU H . . 3.930 3.597 3.376 3.806 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL HB 1 13 ASN H . . 4.080 2.337 2.169 4.028 . 0 0 "[ . 1 . 2]" 1
109 1 66 LYS H 1 67 GLU H . . 3.580 3.076 2.849 3.282 . 0 0 "[ . 1 . 2]" 1
110 1 66 LYS HB2 1 67 GLU H . . 4.180 3.597 2.898 4.034 . 0 0 "[ . 1 . 2]" 1
111 1 67 GLU H 1 68 ALA H . . 3.560 2.671 2.435 2.819 . 0 0 "[ . 1 . 2]" 1
112 1 63 LEU HA 1 67 GLU H . . 4.740 4.583 4.425 4.744 0.004 2 0 "[ . 1 . 2]" 1
113 1 67 GLU H 1 67 GLU QB . . 3.370 2.311 2.142 2.621 . 0 0 "[ . 1 . 2]" 1
114 1 44 ILE H 1 47 THR H . . 4.200 3.059 2.813 3.231 . 0 0 "[ . 1 . 2]" 1
115 1 46 GLN HA 1 47 THR H . . 3.180 2.978 2.962 2.985 . 0 0 "[ . 1 . 2]" 1
116 1 47 THR H 1 47 THR HB . . 3.290 2.670 2.607 2.770 . 0 0 "[ . 1 . 2]" 1
117 1 71 LYS HA 1 74 LYS H . . 4.260 3.634 3.285 3.922 . 0 0 "[ . 1 . 2]" 1
118 1 70 GLN HA 1 74 LYS H . . 5.280 4.444 4.028 4.790 . 0 0 "[ . 1 . 2]" 1
119 1 72 LEU HA 1 74 LYS H . . 5.500 4.085 3.878 4.451 . 0 0 "[ . 1 . 2]" 1
120 1 74 LYS H 1 74 LYS QB . . 3.250 2.317 2.185 2.678 . 0 0 "[ . 1 . 2]" 1
121 1 73 LEU HB2 1 74 LYS H . . 3.590 2.779 2.443 2.927 . 0 0 "[ . 1 . 2]" 1
122 1 73 LEU HB3 1 74 LYS H . . 3.960 3.872 3.650 3.964 0.004 4 0 "[ . 1 . 2]" 1
123 1 74 LYS H 1 75 SER H . . 3.870 2.558 2.044 2.937 . 0 0 "[ . 1 . 2]" 1
124 1 17 GLN H 1 17 GLN HB3 . . 3.110 2.941 2.872 3.033 . 0 0 "[ . 1 . 2]" 1
125 1 16 ALA MB 1 17 GLN H . . 3.560 2.273 1.971 2.502 . 0 0 "[ . 1 . 2]" 1
126 1 17 GLN H 1 17 GLN HG3 . . 4.530 4.310 4.080 4.520 . 0 0 "[ . 1 . 2]" 1
127 1 17 GLN H 1 18 LYS QB . . 5.100 4.741 4.596 4.921 . 0 0 "[ . 1 . 2]" 1
128 1 17 GLN H 1 17 GLN HG2 . . 4.530 4.443 4.104 4.578 0.048 4 0 "[ . 1 . 2]" 1
129 1 17 GLN H 1 17 GLN HB2 . . 3.140 2.192 2.158 2.234 . 0 0 "[ . 1 . 2]" 1
130 1 16 ALA H 1 17 GLN H . . 3.840 3.085 2.925 3.224 . 0 0 "[ . 1 . 2]" 1
131 1 17 GLN H 1 19 LYS H . . 4.310 4.211 4.109 4.309 . 0 0 "[ . 1 . 2]" 1
132 1 21 LEU HA 1 22 SER H . . 3.000 2.526 2.474 2.546 . 0 0 "[ . 1 . 2]" 1
133 1 21 LEU HB3 1 22 SER H . . 3.700 2.161 2.109 2.267 . 0 0 "[ . 1 . 2]" 1
134 1 21 LEU MD2 1 22 SER H . . 3.990 2.635 2.290 2.901 . 0 0 "[ . 1 . 2]" 1
135 1 20 LYS H 1 21 LEU H . . 3.300 2.879 2.797 2.959 . 0 0 "[ . 1 . 2]" 1
136 1 17 GLN HA 1 20 LYS H . . 3.730 3.633 3.566 3.710 . 0 0 "[ . 1 . 2]" 1
137 1 18 LYS HA 1 20 LYS H . . 3.680 3.657 3.606 3.683 0.003 15 0 "[ . 1 . 2]" 1
138 1 20 LYS H 1 20 LYS HA . . 2.880 2.291 2.282 2.301 . 0 0 "[ . 1 . 2]" 1
139 1 19 LYS HB3 1 20 LYS H . . 4.560 4.283 4.227 4.354 . 0 0 "[ . 1 . 2]" 1
140 1 19 LYS HB2 1 20 LYS H . . 4.020 3.998 3.916 4.025 0.005 8 0 "[ . 1 . 2]" 1
141 1 20 LYS H 1 20 LYS QG . . 3.350 2.779 2.438 3.356 0.006 8 0 "[ . 1 . 2]" 1
142 1 19 LYS HA 1 20 LYS H . . 3.500 3.039 3.004 3.073 . 0 0 "[ . 1 . 2]" 1
143 1 19 LYS H 1 20 LYS H . . 3.070 2.690 2.615 2.740 . 0 0 "[ . 1 . 2]" 1
144 1 18 LYS H 1 19 LYS H . . 3.090 2.772 2.695 2.816 . 0 0 "[ . 1 . 2]" 1
145 1 16 ALA HA 1 19 LYS H . . 3.740 3.549 3.436 3.685 . 0 0 "[ . 1 . 2]" 1
146 1 18 LYS QB 1 19 LYS H . . 3.380 2.662 2.553 2.806 . 0 0 "[ . 1 . 2]" 1
147 1 19 LYS H 1 19 LYS HB2 . . 3.200 2.271 2.222 2.351 . 0 0 "[ . 1 . 2]" 1
148 1 70 GLN HA 1 73 LEU H . . 3.830 3.434 3.247 3.664 . 0 0 "[ . 1 . 2]" 1
149 1 73 LEU H 1 73 LEU HB2 . . 3.300 2.618 2.388 2.769 . 0 0 "[ . 1 . 2]" 1
150 1 73 LEU H 1 73 LEU HG . . 3.680 2.058 1.907 2.442 . 0 0 "[ . 1 . 2]" 1
151 1 73 LEU H 1 73 LEU MD1 . . 4.380 3.499 3.149 3.770 . 0 0 "[ . 1 . 2]" 1
152 1 72 LEU HB3 1 73 LEU H . . 4.390 3.205 2.898 3.632 . 0 0 "[ . 1 . 2]" 1
153 1 75 SER H 1 76 PRO HD2 . . 4.590 4.278 4.192 4.356 . 0 0 "[ . 1 . 2]" 1
154 1 74 LYS QB 1 75 SER H . . 4.470 2.364 2.016 3.561 . 0 0 "[ . 1 . 2]" 1
155 1 53 SER H 1 63 LEU HB3 . . 4.710 4.368 4.116 4.623 . 0 0 "[ . 1 . 2]" 1
156 1 53 SER H 1 53 SER QB . . 3.390 3.061 2.552 3.219 . 0 0 "[ . 1 . 2]" 1
157 1 53 SER H 1 63 LEU MD2 . . 4.970 4.890 4.626 4.973 0.003 2 0 "[ . 1 . 2]" 1
158 1 53 SER H 1 63 LEU MD1 . . 3.880 2.661 2.143 2.961 . 0 0 "[ . 1 . 2]" 1
159 1 13 ASN H 1 14 SER H . . 3.450 3.116 2.602 3.365 . 0 0 "[ . 1 . 2]" 1
160 1 14 SER H 1 15 PHE H . . 3.430 2.605 2.287 2.904 . 0 0 "[ . 1 . 2]" 1
161 1 69 TYR H 1 70 GLN H . . 3.940 2.985 2.769 3.251 . 0 0 "[ . 1 . 2]" 1
162 1 69 TYR HB2 1 70 GLN H . . 4.060 3.615 3.395 3.819 . 0 0 "[ . 1 . 2]" 1
163 1 69 TYR HB3 1 70 GLN H . . 3.810 2.216 1.938 2.513 . 0 0 "[ . 1 . 2]" 1
164 1 70 GLN H 1 70 GLN HB2 . . 3.820 2.555 2.269 3.595 . 0 0 "[ . 1 . 2]" 1
165 1 70 GLN H 1 70 GLN HG2 . . 3.920 2.537 1.955 3.595 . 0 0 "[ . 1 . 2]" 1
166 1 70 GLN H 1 70 GLN HG3 . . 3.920 3.107 2.021 3.578 . 0 0 "[ . 1 . 2]" 1
167 1 70 GLN H 1 70 GLN HB3 . . 3.820 3.535 2.590 3.607 . 0 0 "[ . 1 . 2]" 1
168 1 51 THR HA 1 52 GLY H . . 3.240 2.208 2.145 2.399 . 0 0 "[ . 1 . 2]" 1
169 1 10 GLY H 1 11 LEU H . . 2.970 2.260 2.239 2.317 . 0 0 "[ . 1 . 2]" 1
170 1 53 SER QB 1 54 GLY H . . 4.280 3.201 2.896 3.517 . 0 0 "[ . 1 . 2]" 1
171 1 55 VAL H 1 56 THR H . . 3.600 2.514 2.176 2.903 . 0 0 "[ . 1 . 2]" 1
172 1 56 THR H 1 56 THR MG . . 4.010 3.918 3.861 3.970 . 0 0 "[ . 1 . 2]" 1
173 1 55 VAL MG2 1 56 THR H . . 4.020 2.181 1.867 2.578 . 0 0 "[ . 1 . 2]" 1
174 1 42 CYS H 1 50 GLY H . . 4.040 3.747 3.545 3.971 . 0 0 "[ . 1 . 2]" 1
175 1 49 TYR H 1 50 GLY H . . 3.430 2.327 1.877 2.457 . 0 0 "[ . 1 . 2]" 1
176 1 48 MET HA 1 50 GLY H . . 4.360 4.284 3.592 4.366 0.006 12 0 "[ . 1 . 2]" 1
177 1 66 LYS HA 1 68 ALA H . . 5.500 4.765 4.324 5.206 . 0 0 "[ . 1 . 2]" 1
178 1 68 ALA H 1 69 TYR HB3 . . 5.500 5.142 4.958 5.314 . 0 0 "[ . 1 . 2]" 1
179 1 64 ALA HA 1 68 ALA H . . 4.980 4.496 4.243 4.706 . 0 0 "[ . 1 . 2]" 1
180 1 66 LYS HB3 1 67 GLU H . . 4.180 2.376 1.956 3.323 . 0 0 "[ . 1 . 2]" 1
181 1 63 LEU H 1 64 ALA H . . 3.210 2.946 2.751 3.082 . 0 0 "[ . 1 . 2]" 1
182 1 9 ILE MD 1 62 GLN H . . 4.990 4.899 4.705 5.004 0.014 2 0 "[ . 1 . 2]" 1
183 1 56 THR MG 1 59 GLU H . . 4.480 3.464 2.928 3.787 . 0 0 "[ . 1 . 2]" 1
184 1 56 THR HB 1 59 GLU H . . 4.670 2.641 2.336 3.000 . 0 0 "[ . 1 . 2]" 1
185 1 56 THR H 1 59 GLU H . . 5.010 4.111 3.691 4.452 . 0 0 "[ . 1 . 2]" 1
186 1 56 THR H 1 59 GLU QG . . 4.650 3.923 3.305 4.564 . 0 0 "[ . 1 . 2]" 1
187 1 55 VAL HB 1 56 THR H . . 4.420 3.892 3.573 4.177 . 0 0 "[ . 1 . 2]" 1
188 1 56 THR H 1 60 ALA H . . 4.570 4.174 3.463 4.557 . 0 0 "[ . 1 . 2]" 1
189 1 53 SER H 1 63 LEU HB2 . . 4.270 3.450 3.093 3.682 . 0 0 "[ . 1 . 2]" 1
190 1 39 ILE MG 1 52 GLY H . . 4.870 3.979 3.180 4.483 . 0 0 "[ . 1 . 2]" 1
191 1 52 GLY H 1 53 SER H . . 4.830 4.507 4.260 4.602 . 0 0 "[ . 1 . 2]" 1
192 1 49 TYR H 1 49 TYR QD . . 4.770 3.113 2.935 3.734 . 0 0 "[ . 1 . 2]" 1
193 1 48 MET H 1 49 TYR H . . 4.720 4.466 4.392 4.539 . 0 0 "[ . 1 . 2]" 1
194 1 43 LYS HB3 1 47 THR H . . 4.590 2.988 2.600 3.497 . 0 0 "[ . 1 . 2]" 1
195 1 46 GLN QG 1 47 THR H . . 5.500 4.515 3.575 4.989 . 0 0 "[ . 1 . 2]" 1
196 1 47 THR H 1 49 TYR QE . . 5.500 4.556 4.166 5.460 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU MD2 1 45 GLY H . . 5.140 4.961 4.684 5.140 . 0 0 "[ . 1 . 2]" 1
198 1 44 ILE H 1 45 GLY H . . 5.290 4.180 4.037 4.284 . 0 0 "[ . 1 . 2]" 1
199 1 44 ILE H 1 47 THR MG . . 4.270 3.986 3.774 4.231 . 0 0 "[ . 1 . 2]" 1
200 1 44 ILE H 1 44 ILE MG . . 4.570 3.858 3.705 3.923 . 0 0 "[ . 1 . 2]" 1
201 1 24 ASN HB2 1 43 LYS H . . 4.400 3.853 3.443 4.404 0.004 10 0 "[ . 1 . 2]" 1
202 1 25 TYR HA 1 43 LYS H . . 4.330 3.419 3.152 3.687 . 0 0 "[ . 1 . 2]" 1
203 1 38 PHE H 1 38 PHE QD . . 4.620 2.785 2.066 3.495 . 0 0 "[ . 1 . 2]" 1
204 1 28 CYS HB2 1 29 GLU H . . 5.080 3.473 2.118 4.238 . 0 0 "[ . 1 . 2]" 1
205 1 27 GLN H 1 27 GLN QG . . 4.720 3.306 1.947 4.240 . 0 0 "[ . 1 . 2]" 1
206 1 25 TYR HB3 1 26 GLU H . . 5.040 3.781 3.560 3.907 . 0 0 "[ . 1 . 2]" 1
207 1 24 ASN H 1 43 LYS HB2 . . 4.560 4.147 3.939 4.397 . 0 0 "[ . 1 . 2]" 1
208 1 23 VAL HB 1 24 ASN H . . 4.740 4.327 4.222 4.415 . 0 0 "[ . 1 . 2]" 1
209 1 23 VAL H 1 24 ASN H . . 4.790 4.430 4.348 4.519 . 0 0 "[ . 1 . 2]" 1
210 1 22 SER H 1 45 GLY H . . 4.550 4.092 3.701 4.452 . 0 0 "[ . 1 . 2]" 1
211 1 16 ALA H 1 23 VAL QG . . 5.500 4.556 4.236 4.827 . 0 0 "[ . 1 . 2]" 1
212 1 13 ASN HA 1 16 ALA H . . 4.730 4.327 3.988 4.554 . 0 0 "[ . 1 . 2]" 1
213 1 15 PHE QD 1 16 ALA H . . 4.750 3.486 3.002 3.976 . 0 0 "[ . 1 . 2]" 1
214 1 8 TYR HB2 1 12 VAL H . . 5.500 4.992 4.733 5.339 . 0 0 "[ . 1 . 2]" 1
215 1 12 VAL H 1 13 ASN QB . . 5.500 4.579 4.347 4.726 . 0 0 "[ . 1 . 2]" 1
216 1 50 GLY H 1 64 ALA MB . . 4.970 4.923 4.684 4.972 0.002 12 0 "[ . 1 . 2]" 1
217 1 41 LYS HA 1 50 GLY H . . 5.500 5.369 5.065 5.502 0.002 13 0 "[ . 1 . 2]" 1
218 1 47 THR H 1 47 THR MG . . 4.700 3.856 3.804 3.913 . 0 0 "[ . 1 . 2]" 1
219 1 44 ILE H 1 48 MET HA . . 4.340 4.111 3.957 4.220 . 0 0 "[ . 1 . 2]" 1
220 1 43 LYS HA 1 44 ILE H . . 3.210 2.174 2.140 2.251 . 0 0 "[ . 1 . 2]" 1
221 1 24 ASN HB3 1 25 TYR H . . 4.470 2.989 2.452 3.966 . 0 0 "[ . 1 . 2]" 1
222 1 43 LYS HA 1 50 GLY H . . 4.840 4.191 3.922 4.502 . 0 0 "[ . 1 . 2]" 1
223 1 48 MET ME 1 49 TYR H . . 5.500 4.503 2.255 5.383 . 0 0 "[ . 1 . 2]" 1
224 1 44 ILE H 1 49 TYR H . . 4.830 3.883 3.532 4.255 . 0 0 "[ . 1 . 2]" 1
225 1 8 TYR QE 1 9 ILE H . . 5.500 5.410 5.343 5.501 0.001 4 0 "[ . 1 . 2]" 1
226 1 37 ARG H 1 37 ARG HB2 . . 4.160 3.482 2.682 3.883 . 0 0 "[ . 1 . 2]" 1
227 1 36 GLN H 1 36 GLN HG2 . . 4.920 3.648 1.953 4.863 . 0 0 "[ . 1 . 2]" 1
228 1 35 PRO HB3 1 36 GLN H . . 4.510 3.482 3.294 3.888 . 0 0 "[ . 1 . 2]" 1
229 1 36 GLN H 1 36 GLN HG3 . . 4.920 3.375 2.173 4.644 . 0 0 "[ . 1 . 2]" 1
230 1 28 CYS H 1 28 CYS HB3 . . 4.180 2.844 2.203 3.656 . 0 0 "[ . 1 . 2]" 1
231 1 21 LEU H 1 22 SER H . . 4.620 4.521 4.498 4.536 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS QG 1 20 LYS H . . 5.500 4.713 4.537 4.900 . 0 0 "[ . 1 . 2]" 1
233 1 60 ALA H 1 62 GLN H . . 4.580 4.008 3.637 4.565 . 0 0 "[ . 1 . 2]" 1
234 1 59 GLU H 1 60 ALA H . . 3.630 2.990 2.765 3.214 . 0 0 "[ . 1 . 2]" 1
235 1 12 VAL HA 1 16 ALA H . . 4.820 3.566 3.371 3.784 . 0 0 "[ . 1 . 2]" 1
236 1 15 PHE H 1 15 PHE QD . . 4.860 3.991 3.778 4.179 . 0 0 "[ . 1 . 2]" 1
237 1 14 SER H 1 16 ALA H . . 5.370 4.471 3.863 4.875 . 0 0 "[ . 1 . 2]" 1
238 1 51 THR H 1 67 GLU QG . . 4.510 3.403 2.934 3.889 . 0 0 "[ . 1 . 2]" 1
239 1 51 THR H 1 64 ALA HA . . 4.570 3.601 3.201 3.957 . 0 0 "[ . 1 . 2]" 1
240 1 50 GLY H 1 51 THR H . . 5.170 4.413 4.324 4.471 . 0 0 "[ . 1 . 2]" 1
241 1 52 GLY H 1 64 ALA H . . 5.500 3.962 3.713 4.298 . 0 0 "[ . 1 . 2]" 1
242 1 51 THR H 1 52 GLY H . . 5.500 4.226 3.942 4.462 . 0 0 "[ . 1 . 2]" 1
243 1 40 CYS H 1 53 SER H . . 5.500 4.749 4.592 5.021 . 0 0 "[ . 1 . 2]" 1
244 1 53 SER H 1 64 ALA H . . 5.160 4.843 4.508 5.153 . 0 0 "[ . 1 . 2]" 1
245 1 54 GLY H 1 55 VAL H . . 4.770 4.370 4.299 4.419 . 0 0 "[ . 1 . 2]" 1
246 1 55 VAL H 1 59 GLU QG . . 5.030 3.587 2.856 4.815 . 0 0 "[ . 1 . 2]" 1
247 1 56 THR H 1 57 LYS H . . 4.830 4.429 4.331 4.511 . 0 0 "[ . 1 . 2]" 1
248 1 57 LYS HB2 1 58 GLN H . . 4.910 3.159 2.216 3.784 . 0 0 "[ . 1 . 2]" 1
249 1 61 LYS H 1 62 GLN H . . 3.750 2.959 2.840 3.228 . 0 0 "[ . 1 . 2]" 1
250 1 65 ALA MB 1 68 ALA H . . 4.700 4.497 4.320 4.706 0.006 7 0 "[ . 1 . 2]" 1
251 1 51 THR H 1 68 ALA H . . 5.380 5.010 4.617 5.380 0.000 17 0 "[ . 1 . 2]" 1
252 1 68 ALA MB 1 70 GLN H . . 5.200 4.739 4.460 5.083 . 0 0 "[ . 1 . 2]" 1
253 1 49 TYR QD 1 72 LEU H . . 5.020 3.624 3.058 4.337 . 0 0 "[ . 1 . 2]" 1
254 1 71 LYS H 1 73 LEU H . . 4.700 4.323 3.793 4.598 . 0 0 "[ . 1 . 2]" 1
255 1 73 LEU MD1 1 74 LYS H . . 5.500 4.535 4.046 4.835 . 0 0 "[ . 1 . 2]" 1
256 1 73 LEU HG 1 74 LYS H . . 4.920 4.242 3.983 4.486 . 0 0 "[ . 1 . 2]" 1
257 1 74 LYS H 1 74 LYS QD . . 4.370 3.851 2.259 4.408 0.038 10 0 "[ . 1 . 2]" 1
258 1 72 LEU H 1 72 LEU HG . . 3.320 2.929 2.528 3.209 . 0 0 "[ . 1 . 2]" 1
259 1 71 LYS QB 1 72 LEU H . . 3.790 2.594 2.307 2.873 . 0 0 "[ . 1 . 2]" 1
260 1 69 TYR HA 1 72 LEU H . . 3.890 3.579 3.305 3.854 . 0 0 "[ . 1 . 2]" 1
261 1 68 ALA HA 1 72 LEU H . . 4.710 4.441 4.065 4.697 . 0 0 "[ . 1 . 2]" 1
262 1 71 LYS H 1 71 LYS HG2 . . 4.660 3.889 2.487 4.627 . 0 0 "[ . 1 . 2]" 1
263 1 71 LYS H 1 71 LYS QD . . 5.410 4.093 2.006 4.479 . 0 0 "[ . 1 . 2]" 1
264 1 65 ALA H 1 66 LYS H . . 3.410 2.725 2.465 3.047 . 0 0 "[ . 1 . 2]" 1
265 1 66 LYS H 1 66 LYS HB3 . . 3.730 2.847 2.557 3.520 . 0 0 "[ . 1 . 2]" 1
266 1 61 LYS HB3 1 62 GLN H . . 3.950 2.694 2.165 3.052 . 0 0 "[ . 1 . 2]" 1
267 1 59 GLU H 1 59 GLU QG . . 4.660 4.001 3.848 4.080 . 0 0 "[ . 1 . 2]" 1
268 1 9 ILE MG 1 13 ASN HD21 . . 4.670 4.142 3.714 4.449 . 0 0 "[ . 1 . 2]" 1
269 1 15 PHE HB2 1 16 ALA H . . 3.930 3.496 3.295 3.899 . 0 0 "[ . 1 . 2]" 1
270 1 12 VAL MG2 1 13 ASN H . . 4.920 3.776 3.675 3.868 . 0 0 "[ . 1 . 2]" 1
271 1 12 VAL MG1 1 13 ASN H . . 4.920 2.786 2.007 3.104 . 0 0 "[ . 1 . 2]" 1
272 1 21 LEU HB2 1 22 SER H . . 3.720 3.593 3.526 3.671 . 0 0 "[ . 1 . 2]" 1
273 1 21 LEU HG 1 22 SER H . . 4.480 4.412 4.345 4.480 0.000 8 0 "[ . 1 . 2]" 1
274 1 8 TYR HB3 1 9 ILE H . . 4.390 4.141 4.110 4.190 . 0 0 "[ . 1 . 2]" 1
275 1 8 TYR HB2 1 9 ILE H . . 4.780 2.932 2.879 3.012 . 0 0 "[ . 1 . 2]" 1
276 1 8 TYR QD 1 66 LYS HA . . 3.870 3.492 3.223 3.682 . 0 0 "[ . 1 . 2]" 1
277 1 25 TYR QD 1 61 LYS HG2 . . 4.560 3.702 2.409 4.563 0.003 20 0 "[ . 1 . 2]" 1
278 1 25 TYR QD 1 61 LYS HG3 . . 4.560 2.680 2.153 4.022 . 0 0 "[ . 1 . 2]" 1
279 1 23 VAL QG 1 25 TYR QD . . 4.060 3.096 2.279 3.535 . 0 0 "[ . 1 . 2]" 1
280 1 49 TYR QD 1 71 LYS QD . . 4.790 3.722 2.319 4.741 . 0 0 "[ . 1 . 2]" 1
281 1 49 TYR QD 1 72 LEU MD1 . . 5.040 3.954 3.398 4.349 . 0 0 "[ . 1 . 2]" 1
282 1 44 ILE H 1 49 TYR QD . . 4.100 2.496 2.126 2.963 . 0 0 "[ . 1 . 2]" 1
283 1 49 TYR QD 1 68 ALA MB . . 4.480 3.233 2.559 3.883 . 0 0 "[ . 1 . 2]" 1
284 1 69 TYR QD 1 72 LEU MD1 . . 4.310 3.551 2.857 3.993 . 0 0 "[ . 1 . 2]" 1
285 1 11 LEU MD1 1 69 TYR QD . . 4.500 2.976 2.556 3.163 . 0 0 "[ . 1 . 2]" 1
286 1 15 PHE QD 1 72 LEU MD1 . . 4.120 2.324 2.017 2.599 . 0 0 "[ . 1 . 2]" 1
287 1 15 PHE QD 1 72 LEU MD2 . . 4.250 3.457 2.886 3.969 . 0 0 "[ . 1 . 2]" 1
288 1 15 PHE QE 1 16 ALA HA . . 5.500 5.118 4.268 5.499 . 0 0 "[ . 1 . 2]" 1
289 1 15 PHE QE 1 72 LEU HA . . 5.500 5.272 4.913 5.492 . 0 0 "[ . 1 . 2]" 1
290 1 15 PHE QE 1 72 LEU MD1 . . 4.320 2.714 2.026 3.709 . 0 0 "[ . 1 . 2]" 1
291 1 41 LYS HA 1 51 THR HA . . 2.580 2.131 1.996 2.484 . 0 0 "[ . 1 . 2]" 1
292 1 25 TYR HA 1 26 GLU H . . 3.230 2.171 2.141 2.203 . 0 0 "[ . 1 . 2]" 1
293 1 25 TYR HA 1 25 TYR QD . . 4.100 2.941 2.704 3.142 . 0 0 "[ . 1 . 2]" 1
294 1 40 CYS HA 1 41 LYS H . . 3.190 2.221 2.137 2.397 . 0 0 "[ . 1 . 2]" 1
295 1 53 SER HA 1 54 GLY H . . 3.340 2.165 2.142 2.221 . 0 0 "[ . 1 . 2]" 1
296 1 39 ILE MG 1 53 SER HA . . 4.270 3.150 2.720 3.605 . 0 0 "[ . 1 . 2]" 1
297 1 53 SER HA 1 60 ALA MB . . 3.900 2.383 2.102 2.742 . 0 0 "[ . 1 . 2]" 1
298 1 40 CYS H 1 53 SER HA . . 4.340 3.220 2.764 3.748 . 0 0 "[ . 1 . 2]" 1
299 1 43 LYS HA 1 49 TYR H . . 4.170 2.812 2.514 3.158 . 0 0 "[ . 1 . 2]" 1
300 1 43 LYS HA 1 48 MET HA . . 3.570 2.930 2.682 3.116 . 0 0 "[ . 1 . 2]" 1
301 1 69 TYR QE 1 73 LEU MD1 . . 4.090 2.309 1.985 2.738 . 0 0 "[ . 1 . 2]" 1
302 1 41 LYS HA 1 41 LYS HG3 . . 3.640 3.167 2.198 3.714 0.074 12 0 "[ . 1 . 2]" 1
303 1 41 LYS HA 1 52 GLY H . . 4.700 3.002 2.536 3.553 . 0 0 "[ . 1 . 2]" 1
304 1 41 LYS HA 1 41 LYS HG2 . . 3.640 2.791 2.426 3.517 . 0 0 "[ . 1 . 2]" 1
305 1 8 TYR QE 1 66 LYS QE . . 4.210 2.655 2.002 4.161 . 0 0 "[ . 1 . 2]" 1
306 1 49 TYR QE 1 72 LEU HA . . 4.040 2.978 2.039 3.886 . 0 0 "[ . 1 . 2]" 1
307 1 49 TYR QE 1 71 LYS QB . . 4.690 3.504 2.940 4.535 . 0 0 "[ . 1 . 2]" 1
308 1 44 ILE HB 1 49 TYR QE . . 3.580 2.466 2.004 2.935 . 0 0 "[ . 1 . 2]" 1
309 1 49 TYR QE 1 68 ALA MB . . 5.500 4.904 4.486 5.350 . 0 0 "[ . 1 . 2]" 1
310 1 44 ILE MG 1 49 TYR QE . . 3.910 3.512 2.592 3.804 . 0 0 "[ . 1 . 2]" 1
311 1 49 TYR QE 1 72 LEU MD1 . . 4.200 3.728 2.955 4.142 . 0 0 "[ . 1 . 2]" 1
312 1 49 TYR QE 1 72 LEU HG . . 3.580 2.400 1.998 3.534 . 0 0 "[ . 1 . 2]" 1
313 1 24 ASN HA 1 25 TYR H . . 3.180 2.285 2.149 2.409 . 0 0 "[ . 1 . 2]" 1
314 1 23 VAL HA 1 24 ASN HA . . 4.620 4.404 4.393 4.423 . 0 0 "[ . 1 . 2]" 1
315 1 10 GLY HA3 1 13 ASN QB . . 3.940 3.758 3.425 3.944 0.004 12 0 "[ . 1 . 2]" 1
316 1 9 ILE MD 1 62 GLN QG . . 4.210 3.948 3.724 4.226 0.016 14 0 "[ . 1 . 2]" 1
317 1 9 ILE MD 1 63 LEU H . . 4.640 3.346 3.081 3.575 . 0 0 "[ . 1 . 2]" 1
318 1 9 ILE MD 1 62 GLN HE22 . . 5.110 4.512 4.057 4.913 . 0 0 "[ . 1 . 2]" 1
319 1 9 ILE MD 1 62 GLN QB . . 4.450 2.444 2.045 2.667 . 0 0 "[ . 1 . 2]" 1
320 1 9 ILE MD 1 63 LEU HG . . 4.090 3.808 3.547 3.999 . 0 0 "[ . 1 . 2]" 1
321 1 9 ILE MD 1 62 GLN HA . . 3.770 3.275 3.117 3.490 . 0 0 "[ . 1 . 2]" 1
322 1 50 GLY HA2 1 64 ALA HA . . 5.290 4.994 4.565 5.219 . 0 0 "[ . 1 . 2]" 1
323 1 50 GLY HA2 1 67 GLU QG . . 4.310 3.620 2.232 4.270 . 0 0 "[ . 1 . 2]" 1
324 1 50 GLY HA3 1 64 ALA HA . . 4.280 3.980 3.524 4.232 . 0 0 "[ . 1 . 2]" 1
325 1 54 GLY HA2 1 55 VAL MG2 . . 4.490 4.190 3.919 4.404 . 0 0 "[ . 1 . 2]" 1
326 1 54 GLY HA3 1 55 VAL MG2 . . 4.490 3.958 3.733 4.171 . 0 0 "[ . 1 . 2]" 1
327 1 21 LEU HB2 1 21 LEU HG . . 2.950 2.583 2.497 2.641 . 0 0 "[ . 1 . 2]" 1
328 1 21 LEU HB2 1 44 ILE MG . . 3.780 3.554 3.338 3.783 0.003 2 0 "[ . 1 . 2]" 1
329 1 16 ALA HA 1 21 LEU HB2 . . 4.220 2.256 2.017 2.682 . 0 0 "[ . 1 . 2]" 1
330 1 16 ALA HA 1 21 LEU HB3 . . 4.460 3.642 3.326 4.146 . 0 0 "[ . 1 . 2]" 1
331 1 21 LEU HB3 1 22 SER QB . . 5.120 4.364 4.300 4.448 . 0 0 "[ . 1 . 2]" 1
332 1 39 ILE MD 1 53 SER HA . . 4.920 3.897 1.992 4.890 . 0 0 "[ . 1 . 2]" 1
333 1 39 ILE HA 1 39 ILE MD . . 4.410 3.344 2.055 3.962 . 0 0 "[ . 1 . 2]" 1
334 1 44 ILE H 1 44 ILE MD . . 4.830 3.595 2.348 4.322 . 0 0 "[ . 1 . 2]" 1
335 1 44 ILE MD 1 49 TYR QD . . 4.180 3.746 2.272 4.095 . 0 0 "[ . 1 . 2]" 1
336 1 23 VAL HA 1 44 ILE MD . . 4.020 2.537 2.004 3.454 . 0 0 "[ . 1 . 2]" 1
337 1 23 VAL HB 1 44 ILE MD . . 4.740 3.099 2.860 3.725 . 0 0 "[ . 1 . 2]" 1
338 1 44 ILE MD 1 68 ALA MB . . 3.390 3.053 2.725 3.245 . 0 0 "[ . 1 . 2]" 1
339 1 12 VAL MG1 1 44 ILE MD . . 4.220 2.721 2.437 3.980 . 0 0 "[ . 1 . 2]" 1
340 1 44 ILE HA 1 44 ILE MD . . 3.800 2.584 2.167 3.702 . 0 0 "[ . 1 . 2]" 1
341 1 52 GLY HA2 1 63 LEU HB2 . . 4.190 2.980 2.505 3.340 . 0 0 "[ . 1 . 2]" 1
342 1 52 GLY HA3 1 63 LEU HB2 . . 4.190 2.695 2.201 3.311 . 0 0 "[ . 1 . 2]" 1
343 1 24 ASN HB3 1 43 LYS HB2 . . 4.170 3.552 2.305 4.170 . 0 0 "[ . 1 . 2]" 1
344 1 20 LYS HB3 1 20 LYS QE . . 4.460 3.234 2.136 4.392 . 0 0 "[ . 1 . 2]" 1
345 1 20 LYS HB2 1 20 LYS QE . . 4.460 3.347 2.084 4.382 . 0 0 "[ . 1 . 2]" 1
346 1 20 LYS QE 1 20 LYS QG . . 3.370 2.254 2.078 2.566 . 0 0 "[ . 1 . 2]" 1
347 1 66 LYS QE 1 66 LYS HG3 . . 3.920 2.511 2.266 3.415 . 0 0 "[ . 1 . 2]" 1
348 1 49 TYR HB3 1 68 ALA MB . . 3.770 2.388 2.079 2.575 . 0 0 "[ . 1 . 2]" 1
349 1 49 TYR HB3 1 68 ALA HA . . 4.250 2.108 1.997 2.315 . 0 0 "[ . 1 . 2]" 1
350 1 18 LYS QB 1 18 LYS QE . . 4.580 3.029 1.971 3.690 . 0 0 "[ . 1 . 2]" 1
351 1 15 PHE QE 1 19 LYS HE2 . . 4.190 2.972 2.248 4.192 0.002 20 0 "[ . 1 . 2]" 1
352 1 38 PHE QE 1 57 LYS QE . . 4.780 4.505 3.867 4.785 0.005 17 0 "[ . 1 . 2]" 1
353 1 38 PHE QD 1 57 LYS QE . . 5.010 4.415 3.541 5.002 . 0 0 "[ . 1 . 2]" 1
354 1 49 TYR QD 1 71 LYS QE . . 5.380 4.524 3.429 5.370 . 0 0 "[ . 1 . 2]" 1
355 1 49 TYR HA 1 71 LYS QE . . 4.710 3.479 1.944 4.591 . 0 0 "[ . 1 . 2]" 1
356 1 71 LYS QB 1 71 LYS QE . . 4.240 3.187 2.008 3.904 . 0 0 "[ . 1 . 2]" 1
357 1 15 PHE QE 1 19 LYS HE3 . . 4.190 3.226 2.058 4.187 . 0 0 "[ . 1 . 2]" 1
358 1 73 LEU H 1 73 LEU HB3 . . 3.750 3.581 3.559 3.597 . 0 0 "[ . 1 . 2]" 1
359 1 63 LEU HB2 1 64 ALA H . . 3.950 2.424 2.295 2.543 . 0 0 "[ . 1 . 2]" 1
360 1 63 LEU HB2 1 63 LEU MD2 . . 3.590 3.130 3.114 3.140 . 0 0 "[ . 1 . 2]" 1
361 1 52 GLY HA2 1 63 LEU HB3 . . 4.410 3.704 3.379 4.078 . 0 0 "[ . 1 . 2]" 1
362 1 63 LEU HB3 1 63 LEU MD1 . . 3.470 2.652 2.556 2.691 . 0 0 "[ . 1 . 2]" 1
363 1 63 LEU HB3 1 63 LEU MD2 . . 3.420 2.136 2.018 2.218 . 0 0 "[ . 1 . 2]" 1
364 1 52 GLY HA3 1 63 LEU HB3 . . 4.410 4.038 3.657 4.400 . 0 0 "[ . 1 . 2]" 1
365 1 11 LEU H 1 11 LEU HB2 . . 4.040 2.333 2.277 2.369 . 0 0 "[ . 1 . 2]" 1
366 1 11 LEU HB2 1 12 VAL H . . 4.300 2.486 2.295 2.877 . 0 0 "[ . 1 . 2]" 1
367 1 8 TYR HB3 1 11 LEU HB2 . . 4.130 2.742 2.664 2.825 . 0 0 "[ . 1 . 2]" 1
368 1 8 TYR HB3 1 11 LEU HB3 . . 4.130 3.896 3.788 3.979 . 0 0 "[ . 1 . 2]" 1
369 1 72 LEU HB2 1 72 LEU MD1 . . 3.060 2.259 2.094 2.404 . 0 0 "[ . 1 . 2]" 1
370 1 72 LEU HB2 1 73 LEU H . . 4.390 2.709 2.513 3.142 . 0 0 "[ . 1 . 2]" 1
371 1 72 LEU HB3 1 72 LEU MD2 . . 3.520 2.323 2.228 2.376 . 0 0 "[ . 1 . 2]" 1
372 1 72 LEU HB3 1 72 LEU MD1 . . 3.060 2.407 2.241 2.563 . 0 0 "[ . 1 . 2]" 1
373 1 51 THR HB 1 52 GLY H . . 4.430 4.194 3.741 4.427 . 0 0 "[ . 1 . 2]" 1
374 1 47 THR HB 1 49 TYR QE . . 3.650 2.205 2.018 3.363 . 0 0 "[ . 1 . 2]" 1
375 1 8 TYR HB3 1 69 TYR HB2 . . 4.310 2.978 2.741 3.256 . 0 0 "[ . 1 . 2]" 1
376 1 8 TYR QD 1 69 TYR HB2 . . 4.700 4.524 4.309 4.705 0.005 2 0 "[ . 1 . 2]" 1
377 1 69 TYR H 1 69 TYR HB3 . . 3.750 2.695 2.539 2.862 . 0 0 "[ . 1 . 2]" 1
378 1 8 TYR HB3 1 69 TYR HB3 . . 4.380 3.045 2.506 3.403 . 0 0 "[ . 1 . 2]" 1
379 1 9 ILE HB 1 9 ILE MD . . 3.230 3.217 3.212 3.225 . 0 0 "[ . 1 . 2]" 1
380 1 9 ILE HB 1 10 GLY H . . 4.200 2.614 2.531 2.739 . 0 0 "[ . 1 . 2]" 1
381 1 13 ASN QB 1 14 SER H . . 3.520 2.447 2.156 2.922 . 0 0 "[ . 1 . 2]" 1
382 1 13 ASN H 1 13 ASN QB . . 3.340 2.330 2.191 2.503 . 0 0 "[ . 1 . 2]" 1
383 1 12 VAL MG2 1 13 ASN QB . . 5.500 5.360 4.975 5.433 . 0 0 "[ . 1 . 2]" 1
384 1 10 GLY HA2 1 13 ASN QB . . 3.940 2.619 2.062 2.820 . 0 0 "[ . 1 . 2]" 1
385 1 44 ILE HB 1 49 TYR QD . . 4.130 3.021 2.002 3.475 . 0 0 "[ . 1 . 2]" 1
386 1 59 GLU QG 1 63 LEU HG . . 3.780 3.586 3.349 3.775 . 0 0 "[ . 1 . 2]" 1
387 1 67 GLU H 1 67 GLU QG . . 4.400 3.116 1.982 4.070 . 0 0 "[ . 1 . 2]" 1
388 1 50 GLY HA3 1 67 GLU QG . . 4.280 3.774 2.885 4.281 0.001 7 0 "[ . 1 . 2]" 1
389 1 29 GLU H 1 29 GLU QG . . 4.710 2.791 1.893 3.954 . 0 0 "[ . 1 . 2]" 1
390 1 26 GLU H 1 41 LYS QB . . 4.590 3.159 2.635 3.555 . 0 0 "[ . 1 . 2]" 1
391 1 43 LYS HB2 1 44 ILE H . . 4.650 4.324 4.137 4.431 . 0 0 "[ . 1 . 2]" 1
392 1 24 ASN HB2 1 43 LYS HB2 . . 4.170 3.404 2.883 4.071 . 0 0 "[ . 1 . 2]" 1
393 1 12 VAL HA 1 15 PHE H . . 4.130 3.441 2.954 3.900 . 0 0 "[ . 1 . 2]" 1
394 1 12 VAL HA 1 69 TYR QD . . 4.360 3.143 2.704 3.600 . 0 0 "[ . 1 . 2]" 1
395 1 12 VAL HA 1 15 PHE HB2 . . 3.600 2.711 2.244 3.443 . 0 0 "[ . 1 . 2]" 1
396 1 12 VAL HA 1 15 PHE HB3 . . 3.600 2.445 2.210 2.768 . 0 0 "[ . 1 . 2]" 1
397 1 12 VAL HA 1 72 LEU MD1 . . 4.310 3.614 2.966 3.990 . 0 0 "[ . 1 . 2]" 1
398 1 70 GLN HA 1 70 GLN HG2 . . 4.070 2.762 2.291 3.747 . 0 0 "[ . 1 . 2]" 1
399 1 62 GLN H 1 62 GLN QG . . 3.780 2.631 2.062 2.998 . 0 0 "[ . 1 . 2]" 1
400 1 17 GLN HA 1 17 GLN HG2 . . 3.850 2.913 2.232 3.645 . 0 0 "[ . 1 . 2]" 1
401 1 17 GLN HA 1 17 GLN HG3 . . 3.850 2.801 2.505 3.627 . 0 0 "[ . 1 . 2]" 1
402 1 46 GLN HA 1 46 GLN QG . . 3.630 2.559 2.161 3.332 . 0 0 "[ . 1 . 2]" 1
403 1 39 ILE MG 1 53 SER QB . . 4.000 2.746 2.202 3.542 . 0 0 "[ . 1 . 2]" 1
404 1 9 ILE HA 1 9 ILE HG12 . . 3.300 3.307 3.237 3.330 0.030 19 0 "[ . 1 . 2]" 1
405 1 9 ILE HA 1 65 ALA MB . . 3.480 2.046 1.880 2.317 . 0 0 "[ . 1 . 2]" 1
406 1 23 VAL H 1 23 VAL HB . . 3.700 2.709 2.614 2.825 . 0 0 "[ . 1 . 2]" 1
407 1 16 ALA MB 1 23 VAL HB . . 4.180 2.432 2.190 2.674 . 0 0 "[ . 1 . 2]" 1
408 1 9 ILE HA 1 12 VAL HB . . 5.480 4.869 4.591 5.496 0.016 2 0 "[ . 1 . 2]" 1
409 1 9 ILE HA 1 62 GLN QB . . 5.500 4.529 3.966 4.803 . 0 0 "[ . 1 . 2]" 1
410 1 9 ILE HA 1 9 ILE MG . . 3.540 2.218 2.172 2.296 . 0 0 "[ . 1 . 2]" 1
411 1 9 ILE HA 1 9 ILE MD . . 3.520 2.001 1.950 2.159 . 0 0 "[ . 1 . 2]" 1
412 1 39 ILE MD 1 53 SER QB . . 4.120 2.988 1.687 4.124 0.004 17 0 "[ . 1 . 2]" 1
413 1 61 LYS H 1 61 LYS HB2 . . 3.940 2.299 2.168 2.453 . 0 0 "[ . 1 . 2]" 1
414 1 66 LYS H 1 66 LYS HB2 . . 3.730 2.326 2.176 2.568 . 0 0 "[ . 1 . 2]" 1
415 1 61 LYS HB2 1 62 GLN H . . 4.330 3.792 3.608 3.979 . 0 0 "[ . 1 . 2]" 1
416 1 58 GLN HA 1 61 LYS HB3 . . 4.320 2.893 2.675 3.288 . 0 0 "[ . 1 . 2]" 1
417 1 68 ALA HA 1 71 LYS QB . . 3.590 2.700 2.139 2.994 . 0 0 "[ . 1 . 2]" 1
418 1 49 TYR QD 1 71 LYS QB . . 3.830 2.268 1.895 3.455 . 0 0 "[ . 1 . 2]" 1
419 1 16 ALA HA 1 19 LYS HB2 . . 4.410 3.038 2.923 3.152 . 0 0 "[ . 1 . 2]" 1
420 1 19 LYS HB3 1 21 LEU HG . . 2.920 2.554 2.387 2.775 . 0 0 "[ . 1 . 2]" 1
421 1 19 LYS H 1 19 LYS HB3 . . 3.820 3.538 3.490 3.602 . 0 0 "[ . 1 . 2]" 1
422 1 22 SER H 1 22 SER QB . . 3.280 2.405 2.320 2.520 . 0 0 "[ . 1 . 2]" 1
423 1 21 LEU HA 1 22 SER QB . . 4.180 4.131 3.930 4.190 0.010 4 0 "[ . 1 . 2]" 1
424 1 15 PHE HA 1 18 LYS QB . . 3.460 2.662 2.380 3.201 . 0 0 "[ . 1 . 2]" 1
425 1 55 VAL H 1 55 VAL HB . . 4.180 3.632 3.594 3.688 . 0 0 "[ . 1 . 2]" 1
426 1 47 THR HA 1 47 THR MG . . 3.540 2.374 2.200 2.490 . 0 0 "[ . 1 . 2]" 1
427 1 55 VAL H 1 59 GLU QB . . 4.380 3.501 3.056 4.076 . 0 0 "[ . 1 . 2]" 1
428 1 56 THR H 1 59 GLU QB . . 3.550 2.568 2.276 2.749 . 0 0 "[ . 1 . 2]" 1
429 1 59 GLU H 1 59 GLU QB . . 3.500 2.215 2.151 2.271 . 0 0 "[ . 1 . 2]" 1
430 1 55 VAL MG2 1 59 GLU QB . . 4.490 3.328 3.049 3.552 . 0 0 "[ . 1 . 2]" 1
431 1 59 GLU QB 1 63 LEU MD1 . . 5.050 3.790 3.506 4.035 . 0 0 "[ . 1 . 2]" 1
432 1 63 LEU MD2 1 66 LYS HD3 . . 3.890 3.197 1.977 3.875 . 0 0 "[ . 1 . 2]" 1
433 1 69 TYR HA 1 72 LEU HG . . 4.530 4.230 3.838 4.504 . 0 0 "[ . 1 . 2]" 1
434 1 69 TYR HA 1 69 TYR QD . . 3.460 2.471 2.192 2.728 . 0 0 "[ . 1 . 2]" 1
435 1 68 ALA MB 1 69 TYR HA . . 3.990 3.757 3.648 3.850 . 0 0 "[ . 1 . 2]" 1
436 1 69 TYR HA 1 72 LEU MD1 . . 3.570 2.913 2.456 3.284 . 0 0 "[ . 1 . 2]" 1
437 1 41 LYS QD 1 51 THR HB . . 4.760 4.302 3.764 4.763 0.003 16 0 "[ . 1 . 2]" 1
438 1 9 ILE HG12 1 9 ILE MG . . 3.540 3.177 3.173 3.189 . 0 0 "[ . 1 . 2]" 1
439 1 9 ILE HA 1 9 ILE HG13 . . 4.200 3.733 3.725 3.750 . 0 0 "[ . 1 . 2]" 1
440 1 9 ILE H 1 9 ILE HG13 . . 4.370 3.459 3.438 3.486 . 0 0 "[ . 1 . 2]" 1
441 1 9 ILE HG13 1 9 ILE MG . . 3.260 2.199 2.164 2.276 . 0 0 "[ . 1 . 2]" 1
442 1 14 SER HA 1 17 GLN H . . 3.800 3.756 3.673 3.802 0.002 18 0 "[ . 1 . 2]" 1
443 1 14 SER HA 1 17 GLN HB2 . . 3.770 3.458 3.092 3.764 . 0 0 "[ . 1 . 2]" 1
444 1 14 SER HA 1 17 GLN HB3 . . 3.780 3.416 3.254 3.718 . 0 0 "[ . 1 . 2]" 1
445 1 67 GLU QB 1 68 ALA HA . . 3.980 3.847 3.729 3.985 0.005 15 0 "[ . 1 . 2]" 1
446 1 50 GLY HA3 1 67 GLU QB . . 3.280 2.236 1.991 2.539 . 0 0 "[ . 1 . 2]" 1
447 1 50 GLY HA2 1 67 GLU QB . . 3.820 2.729 2.305 3.148 . 0 0 "[ . 1 . 2]" 1
448 1 15 PHE HA 1 15 PHE QD . . 4.200 2.953 2.714 3.082 . 0 0 "[ . 1 . 2]" 1
449 1 28 CYS H 1 28 CYS HB2 . . 4.180 2.901 2.201 3.892 . 0 0 "[ . 1 . 2]" 1
450 1 40 CYS HB2 1 61 LYS HA . . 4.630 2.988 2.205 3.515 . 0 0 "[ . 1 . 2]" 1
451 1 28 CYS HB3 1 29 GLU H . . 5.080 3.442 2.016 4.196 . 0 0 "[ . 1 . 2]" 1
452 1 20 LYS HA 1 20 LYS QD . . 4.360 3.475 1.981 4.367 0.007 8 0 "[ . 1 . 2]" 1
453 1 74 LYS HA 1 74 LYS QD . . 3.950 2.900 2.049 4.110 0.160 19 0 "[ . 1 . 2]" 1
454 1 15 PHE HA 1 18 LYS QD . . 3.890 3.086 2.229 3.886 . 0 0 "[ . 1 . 2]" 1
455 1 18 LYS HA 1 18 LYS QD . . 4.690 3.862 2.485 4.213 . 0 0 "[ . 1 . 2]" 1
456 1 23 VAL HA 1 44 ILE HA . . 2.820 2.565 2.373 2.826 0.006 10 0 "[ . 1 . 2]" 1
457 1 42 CYS H 1 42 CYS HB2 . . 4.140 2.979 2.277 3.719 . 0 0 "[ . 1 . 2]" 1
458 1 42 CYS HB2 1 68 ALA MB . . 3.890 3.558 2.949 3.885 . 0 0 "[ . 1 . 2]" 1
459 1 23 VAL QG 1 42 CYS HB2 . . 4.970 4.005 3.242 4.593 . 0 0 "[ . 1 . 2]" 1
460 1 42 CYS HB3 1 64 ALA MB . . 3.730 2.804 1.961 3.457 . 0 0 "[ . 1 . 2]" 1
461 1 42 CYS HB3 1 68 ALA MB . . 3.890 3.045 2.413 3.910 0.020 14 0 "[ . 1 . 2]" 1
462 1 62 GLN H 1 62 GLN QB . . 3.570 2.276 2.172 2.550 . 0 0 "[ . 1 . 2]" 1
463 1 62 GLN QB 1 63 LEU H . . 3.830 2.147 1.996 2.284 . 0 0 "[ . 1 . 2]" 1
464 1 17 GLN HB3 1 18 LYS HA . . 3.940 3.898 3.846 3.941 0.001 14 0 "[ . 1 . 2]" 1
465 1 57 LYS HA 1 60 ALA H . . 4.810 3.707 3.372 4.124 . 0 0 "[ . 1 . 2]" 1
466 1 38 PHE HB2 1 57 LYS HA . . 4.410 3.557 2.392 4.027 . 0 0 "[ . 1 . 2]" 1
467 1 38 PHE HB3 1 57 LYS HA . . 4.410 2.467 2.028 2.980 . 0 0 "[ . 1 . 2]" 1
468 1 57 LYS HA 1 60 ALA MB . . 3.910 2.970 2.534 3.398 . 0 0 "[ . 1 . 2]" 1
469 1 8 TYR HB2 1 66 LYS HA . . 3.850 2.079 1.995 2.212 . 0 0 "[ . 1 . 2]" 1
470 1 66 LYS HA 1 69 TYR HB3 . . 3.880 3.527 3.267 3.774 . 0 0 "[ . 1 . 2]" 1
471 1 66 LYS HA 1 66 LYS HG2 . . 4.130 3.061 2.497 3.295 . 0 0 "[ . 1 . 2]" 1
472 1 66 LYS HA 1 66 LYS HG3 . . 4.130 2.465 2.252 2.843 . 0 0 "[ . 1 . 2]" 1
473 1 70 GLN HB3 1 71 LYS H . . 4.280 3.479 3.208 4.014 . 0 0 "[ . 1 . 2]" 1
474 1 19 LYS HA 1 19 LYS HD2 . . 4.540 3.715 2.620 4.541 0.001 3 0 "[ . 1 . 2]" 1
475 1 19 LYS HA 1 19 LYS HD3 . . 4.540 4.030 3.857 4.388 . 0 0 "[ . 1 . 2]" 1
476 1 61 LYS HA 1 64 ALA MB . . 3.570 2.655 2.294 2.940 . 0 0 "[ . 1 . 2]" 1
477 1 40 CYS HB3 1 61 LYS HA . . 4.630 2.371 2.002 3.782 . 0 0 "[ . 1 . 2]" 1
478 1 58 GLN H 1 58 GLN HB3 . . 3.850 2.823 2.553 3.536 . 0 0 "[ . 1 . 2]" 1
479 1 58 GLN H 1 58 GLN HB2 . . 3.950 2.322 2.173 2.513 . 0 0 "[ . 1 . 2]" 1
480 1 67 GLU HA 1 67 GLU QG . . 3.220 2.605 2.202 2.984 . 0 0 "[ . 1 . 2]" 1
481 1 71 LYS HA 1 71 LYS HG2 . . 3.960 3.102 2.273 3.867 . 0 0 "[ . 1 . 2]" 1
482 1 62 GLN HA 1 62 GLN QG . . 3.220 2.283 2.127 2.600 . 0 0 "[ . 1 . 2]" 1
483 1 59 GLU HA 1 59 GLU QG . . 3.020 2.537 2.207 2.854 . 0 0 "[ . 1 . 2]" 1
484 1 75 SER HA 1 76 PRO HG2 . . 4.850 4.135 4.130 4.138 . 0 0 "[ . 1 . 2]" 1
485 1 75 SER HA 1 76 PRO HG3 . . 4.850 4.504 4.485 4.510 . 0 0 "[ . 1 . 2]" 1
486 1 58 GLN HB3 1 59 GLU HA . . 4.350 3.999 3.817 4.206 . 0 0 "[ . 1 . 2]" 1
487 1 71 LYS HA 1 71 LYS HG3 . . 3.960 3.103 2.298 3.677 . 0 0 "[ . 1 . 2]" 1
488 1 71 LYS HA 1 71 LYS QD . . 4.370 2.725 1.973 4.190 . 0 0 "[ . 1 . 2]" 1
489 1 18 LYS HA 1 18 LYS HG2 . . 3.680 2.598 2.214 3.628 . 0 0 "[ . 1 . 2]" 1
490 1 18 LYS HA 1 18 LYS HG3 . . 3.680 2.884 2.184 3.274 . 0 0 "[ . 1 . 2]" 1
491 1 38 PHE QD 1 56 THR HA . . 4.160 3.342 2.496 4.080 . 0 0 "[ . 1 . 2]" 1
492 1 56 THR HA 1 56 THR MG . . 3.550 2.281 2.121 2.370 . 0 0 "[ . 1 . 2]" 1
493 1 16 ALA MB 1 17 GLN HA . . 4.410 3.656 3.577 3.737 . 0 0 "[ . 1 . 2]" 1
494 1 44 ILE H 1 44 ILE HG12 . . 5.010 2.587 2.043 4.040 . 0 0 "[ . 1 . 2]" 1
495 1 44 ILE HG12 1 44 ILE MG . . 3.630 3.026 2.461 3.198 . 0 0 "[ . 1 . 2]" 1
496 1 44 ILE HG13 1 44 ILE MG . . 3.630 2.596 2.316 3.179 . 0 0 "[ . 1 . 2]" 1
497 1 58 GLN HA 1 61 LYS H . . 4.420 3.933 3.620 4.216 . 0 0 "[ . 1 . 2]" 1
498 1 58 GLN HA 1 58 GLN HG2 . . 4.190 3.331 2.666 3.771 . 0 0 "[ . 1 . 2]" 1
499 1 58 GLN HA 1 58 GLN HG3 . . 4.190 2.572 2.190 3.029 . 0 0 "[ . 1 . 2]" 1
500 1 58 GLN HA 1 61 LYS HB2 . . 4.030 3.678 3.145 4.007 . 0 0 "[ . 1 . 2]" 1
501 1 70 GLN HA 1 73 LEU HB2 . . 3.860 2.931 2.640 3.356 . 0 0 "[ . 1 . 2]" 1
502 1 70 GLN HA 1 73 LEU HB3 . . 4.740 4.408 4.112 4.730 . 0 0 "[ . 1 . 2]" 1
503 1 70 GLN HA 1 70 GLN HG3 . . 4.070 3.556 2.933 3.805 . 0 0 "[ . 1 . 2]" 1
504 1 38 PHE HA 1 38 PHE QD . . 4.230 2.917 2.430 3.111 . 0 0 "[ . 1 . 2]" 1
505 1 70 GLN HA 1 73 LEU HG . . 4.210 2.912 2.412 3.362 . 0 0 "[ . 1 . 2]" 1
506 1 42 CYS HA 1 43 LYS H . . 3.200 2.146 2.137 2.169 . 0 0 "[ . 1 . 2]" 1
507 1 23 VAL QG 1 42 CYS HA . . 4.240 3.984 3.684 4.128 . 0 0 "[ . 1 . 2]" 1
508 1 25 TYR HA 1 42 CYS HA . . 3.700 2.613 2.333 2.844 . 0 0 "[ . 1 . 2]" 1
509 1 11 LEU HA 1 11 LEU MD1 . . 4.440 3.821 3.776 3.837 . 0 0 "[ . 1 . 2]" 1
510 1 8 TYR HB3 1 11 LEU HG . . 4.170 4.109 3.932 4.184 0.014 2 0 "[ . 1 . 2]" 1
511 1 11 LEU HA 1 11 LEU HG . . 3.480 2.841 2.734 2.959 . 0 0 "[ . 1 . 2]" 1
512 1 71 LYS H 1 71 LYS HG3 . . 4.660 4.095 2.704 4.655 . 0 0 "[ . 1 . 2]" 1
513 1 49 TYR QD 1 72 LEU HG . . 4.880 2.940 2.495 3.603 . 0 0 "[ . 1 . 2]" 1
514 1 12 VAL HA 1 12 VAL MG1 . . 3.610 2.478 2.352 3.190 . 0 0 "[ . 1 . 2]" 1
515 1 12 VAL MG1 1 72 LEU MD1 . . 4.160 3.363 2.620 4.087 . 0 0 "[ . 1 . 2]" 1
516 1 21 LEU H 1 21 LEU MD1 . . 4.360 3.643 3.443 3.904 . 0 0 "[ . 1 . 2]" 1
517 1 15 PHE QE 1 21 LEU MD1 . . 4.240 3.532 2.406 4.180 . 0 0 "[ . 1 . 2]" 1
518 1 21 LEU HA 1 21 LEU MD1 . . 4.310 3.842 3.818 3.860 . 0 0 "[ . 1 . 2]" 1
519 1 19 LYS HB3 1 21 LEU MD1 . . 3.440 2.186 1.994 2.563 . 0 0 "[ . 1 . 2]" 1
520 1 19 LYS HB2 1 21 LEU MD1 . . 2.820 2.276 1.968 2.630 . 0 0 "[ . 1 . 2]" 1
521 1 21 LEU HB2 1 21 LEU MD1 . . 3.030 2.141 2.000 2.338 . 0 0 "[ . 1 . 2]" 1
522 1 21 LEU HB3 1 21 LEU MD1 . . 2.980 2.555 2.362 2.686 . 0 0 "[ . 1 . 2]" 1
523 1 19 LYS QG 1 21 LEU MD1 . . 5.040 3.123 2.756 3.482 . 0 0 "[ . 1 . 2]" 1
524 1 21 LEU MD1 1 72 LEU MD1 . . 4.260 3.354 2.751 3.937 . 0 0 "[ . 1 . 2]" 1
525 1 21 LEU MD1 1 72 LEU MD2 . . 4.270 2.929 2.130 3.174 . 0 0 "[ . 1 . 2]" 1
526 1 59 GLU QG 1 63 LEU MD1 . . 3.740 2.197 1.966 2.677 . 0 0 "[ . 1 . 2]" 1
527 1 63 LEU HB2 1 63 LEU MD1 . . 3.220 2.049 1.983 2.173 . 0 0 "[ . 1 . 2]" 1
528 1 22 SER HA 1 44 ILE MG . . 4.940 4.525 4.201 4.759 . 0 0 "[ . 1 . 2]" 1
529 1 62 GLN QB 1 63 LEU HA . . 4.850 3.707 3.650 3.803 . 0 0 "[ . 1 . 2]" 1
530 1 63 LEU HA 1 63 LEU HG . . 3.200 2.880 2.751 2.926 . 0 0 "[ . 1 . 2]" 1
531 1 63 LEU HA 1 66 LYS H . . 3.620 3.184 2.900 3.539 . 0 0 "[ . 1 . 2]" 1
532 1 63 LEU HA 1 66 LYS HB2 . . 4.000 2.778 2.385 3.521 . 0 0 "[ . 1 . 2]" 1
533 1 63 LEU HA 1 66 LYS HB3 . . 4.000 3.237 2.835 4.024 0.024 15 0 "[ . 1 . 2]" 1
534 1 63 LEU HA 1 63 LEU MD1 . . 3.980 3.940 3.892 3.958 . 0 0 "[ . 1 . 2]" 1
535 1 72 LEU HA 1 72 LEU HG . . 3.700 2.740 2.628 2.853 . 0 0 "[ . 1 . 2]" 1
536 1 72 LEU HA 1 72 LEU MD1 . . 3.890 3.819 3.791 3.852 . 0 0 "[ . 1 . 2]" 1
537 1 43 LYS HG2 1 48 MET HA . . 4.560 2.247 1.994 3.626 . 0 0 "[ . 1 . 2]" 1
538 1 17 GLN HA 1 20 LYS HA . . 4.330 3.427 3.313 3.538 . 0 0 "[ . 1 . 2]" 1
539 1 20 LYS HA 1 20 LYS QG . . 3.340 2.586 2.224 3.343 0.003 5 0 "[ . 1 . 2]" 1
540 1 37 ARG H 1 37 ARG QG . . 4.900 2.970 1.897 4.159 . 0 0 "[ . 1 . 2]" 1
541 1 48 MET HA 1 49 TYR H . . 3.420 2.145 2.141 2.162 . 0 0 "[ . 1 . 2]" 1
542 1 43 LYS HG3 1 48 MET HA . . 4.560 2.810 2.002 4.225 . 0 0 "[ . 1 . 2]" 1
543 1 74 LYS HA 1 74 LYS HG2 . . 3.910 2.892 2.182 3.993 0.083 19 0 "[ . 1 . 2]" 1
544 1 74 LYS HA 1 74 LYS HG3 . . 3.910 3.312 2.254 3.798 . 0 0 "[ . 1 . 2]" 1
545 1 36 GLN HA 1 37 ARG H . . 3.240 2.211 2.139 2.762 . 0 0 "[ . 1 . 2]" 1
546 1 8 TYR QD 1 11 LEU MD1 . . 3.900 2.017 1.880 2.225 . 0 0 "[ . 1 . 2]" 1
547 1 8 TYR QE 1 11 LEU MD1 . . 3.760 3.596 3.455 3.736 . 0 0 "[ . 1 . 2]" 1
548 1 8 TYR HB3 1 11 LEU MD1 . . 3.620 2.260 2.071 2.517 . 0 0 "[ . 1 . 2]" 1
549 1 11 LEU MD1 1 69 TYR QE . . 3.860 2.568 2.168 2.871 . 0 0 "[ . 1 . 2]" 1
550 1 13 ASN HA 1 23 VAL QG . . 3.880 3.124 2.898 3.305 . 0 0 "[ . 1 . 2]" 1
551 1 13 ASN HA 1 16 ALA MB . . 3.640 3.490 3.312 3.640 . 0 0 "[ . 1 . 2]" 1
552 1 19 LYS H 1 19 LYS QG . . 3.800 3.364 2.890 3.744 . 0 0 "[ . 1 . 2]" 1
553 1 15 PHE QE 1 19 LYS QG . . 4.140 3.149 2.453 3.743 . 0 0 "[ . 1 . 2]" 1
554 1 19 LYS HA 1 19 LYS QG . . 3.620 2.202 2.141 2.312 . 0 0 "[ . 1 . 2]" 1
555 1 69 TYR QD 1 73 LEU MD1 . . 4.280 2.533 2.056 3.254 . 0 0 "[ . 1 . 2]" 1
556 1 73 LEU HA 1 73 LEU MD1 . . 4.100 3.897 3.773 3.975 . 0 0 "[ . 1 . 2]" 1
557 1 70 GLN HA 1 73 LEU MD1 . . 4.360 2.192 1.883 2.659 . 0 0 "[ . 1 . 2]" 1
558 1 73 LEU HB2 1 73 LEU MD1 . . 3.400 2.238 1.996 2.479 . 0 0 "[ . 1 . 2]" 1
559 1 73 LEU HB3 1 73 LEU MD1 . . 3.280 2.423 2.150 2.657 . 0 0 "[ . 1 . 2]" 1
560 1 16 ALA HA 1 72 LEU MD1 . . 4.320 4.220 3.851 4.322 0.002 3 0 "[ . 1 . 2]" 1
561 1 15 PHE HB3 1 72 LEU MD1 . . 4.720 3.175 2.731 3.780 . 0 0 "[ . 1 . 2]" 1
562 1 12 VAL MG2 1 72 LEU MD1 . . 4.160 3.096 1.872 3.569 . 0 0 "[ . 1 . 2]" 1
563 1 66 LYS QE 1 66 LYS HG2 . . 3.920 2.524 2.086 3.320 . 0 0 "[ . 1 . 2]" 1
564 1 73 LEU HA 1 73 LEU HG . . 3.950 3.160 2.914 3.488 . 0 0 "[ . 1 . 2]" 1
565 1 16 ALA HA 1 44 ILE MG . . 4.440 4.209 3.919 4.458 0.018 14 0 "[ . 1 . 2]" 1
566 1 15 PHE QD 1 16 ALA HA . . 4.440 3.298 2.763 3.671 . 0 0 "[ . 1 . 2]" 1
567 1 16 ALA HA 1 21 LEU MD1 . . 3.860 2.716 2.190 3.014 . 0 0 "[ . 1 . 2]" 1
568 1 52 GLY H 1 64 ALA HA . . 4.560 3.057 2.636 3.504 . 0 0 "[ . 1 . 2]" 1
569 1 52 GLY HA2 1 64 ALA HA . . 4.250 3.406 2.907 3.937 . 0 0 "[ . 1 . 2]" 1
570 1 52 GLY HA3 1 64 ALA HA . . 4.250 3.065 2.638 3.470 . 0 0 "[ . 1 . 2]" 1
571 1 64 ALA HA 1 67 GLU QB . . 4.040 3.621 2.977 4.007 . 0 0 "[ . 1 . 2]" 1
572 1 60 ALA HA 1 63 LEU MD1 . . 4.230 2.503 2.216 2.855 . 0 0 "[ . 1 . 2]" 1
573 1 60 ALA HA 1 62 GLN H . . 4.880 4.142 3.731 4.821 . 0 0 "[ . 1 . 2]" 1
574 1 60 ALA HA 1 63 LEU H . . 5.110 3.765 3.455 4.029 . 0 0 "[ . 1 . 2]" 1
575 1 60 ALA HA 1 63 LEU HB2 . . 3.970 3.218 2.862 3.518 . 0 0 "[ . 1 . 2]" 1
576 1 60 ALA HA 1 63 LEU HB3 . . 5.170 4.892 4.562 5.160 . 0 0 "[ . 1 . 2]" 1
577 1 52 GLY HA3 1 60 ALA HA . . 4.600 3.114 2.566 3.782 . 0 0 "[ . 1 . 2]" 1
578 1 50 GLY H 1 68 ALA HA . . 4.600 3.785 3.421 4.441 . 0 0 "[ . 1 . 2]" 1
579 1 25 TYR QE 1 65 ALA HA . . 4.530 4.200 3.361 4.487 . 0 0 "[ . 1 . 2]" 1
580 1 65 ALA HA 1 68 ALA MB . . 3.080 2.300 2.167 2.512 . 0 0 "[ . 1 . 2]" 1
581 1 65 ALA HA 1 68 ALA H . . 3.850 3.300 3.051 3.527 . 0 0 "[ . 1 . 2]" 1
582 1 49 TYR QD 1 68 ALA HA . . 4.340 3.168 2.813 3.946 . 0 0 "[ . 1 . 2]" 1
583 1 49 TYR HB2 1 68 ALA HA . . 4.250 3.699 3.449 3.938 . 0 0 "[ . 1 . 2]" 1
584 1 63 LEU MD2 1 66 LYS QE . . 5.400 4.332 2.735 4.977 . 0 0 "[ . 1 . 2]" 1
585 1 63 LEU H 1 63 LEU MD2 . . 4.150 3.504 3.429 3.694 . 0 0 "[ . 1 . 2]" 1
586 1 63 LEU HA 1 63 LEU MD2 . . 3.100 2.470 2.364 2.624 . 0 0 "[ . 1 . 2]" 1
587 1 62 GLN QB 1 63 LEU MD2 . . 4.300 4.036 3.861 4.285 . 0 0 "[ . 1 . 2]" 1
588 1 15 PHE QE 1 72 LEU MD2 . . 3.700 2.591 2.225 3.226 . 0 0 "[ . 1 . 2]" 1
589 1 49 TYR QE 1 72 LEU MD2 . . 4.100 2.210 1.947 2.830 . 0 0 "[ . 1 . 2]" 1
590 1 72 LEU MD2 1 76 PRO HA . . 4.470 2.153 2.009 2.503 . 0 0 "[ . 1 . 2]" 1
591 1 72 LEU HA 1 72 LEU MD2 . . 3.170 2.063 1.940 2.243 . 0 0 "[ . 1 . 2]" 1
592 1 72 LEU MD2 1 77 PRO QD . . 4.450 1.896 1.790 2.305 . 0 0 "[ . 1 . 2]" 1
593 1 72 LEU HB2 1 72 LEU MD2 . . 3.520 3.178 3.168 3.186 . 0 0 "[ . 1 . 2]" 1
594 1 21 LEU MD2 1 72 LEU MD2 . . 4.520 4.293 3.654 4.519 . 0 0 "[ . 1 . 2]" 1
595 1 44 ILE MG 1 72 LEU MD2 . . 3.830 3.654 3.017 3.835 0.005 7 0 "[ . 1 . 2]" 1
596 1 29 GLU HA 1 30 PRO QD . . 2.980 2.039 1.990 2.136 . 0 0 "[ . 1 . 2]" 1
597 1 21 LEU HA 1 21 LEU MD2 . . 3.260 2.359 2.053 2.548 . 0 0 "[ . 1 . 2]" 1
598 1 21 LEU MD2 1 22 SER QB . . 4.370 4.205 3.870 4.370 . 0 0 "[ . 1 . 2]" 1
599 1 19 LYS HB3 1 21 LEU MD2 . . 4.060 3.958 3.780 4.064 0.004 14 0 "[ . 1 . 2]" 1
600 1 11 LEU HA 1 11 LEU MD2 . . 3.210 2.057 1.961 2.227 . 0 0 "[ . 1 . 2]" 1
601 1 8 TYR HB3 1 11 LEU MD2 . . 4.790 4.763 4.673 4.800 0.010 14 0 "[ . 1 . 2]" 1
602 1 73 LEU MD2 1 74 LYS H . . 5.500 4.677 4.312 4.865 . 0 0 "[ . 1 . 2]" 1
603 1 73 LEU H 1 73 LEU MD2 . . 4.380 3.139 2.386 3.477 . 0 0 "[ . 1 . 2]" 1
604 1 69 TYR QE 1 73 LEU MD2 . . 4.090 2.845 2.352 3.285 . 0 0 "[ . 1 . 2]" 1
605 1 73 LEU HA 1 73 LEU MD2 . . 4.100 2.189 1.973 2.545 . 0 0 "[ . 1 . 2]" 1
606 1 70 GLN HA 1 73 LEU MD2 . . 4.360 4.292 3.993 4.361 0.001 11 0 "[ . 1 . 2]" 1
607 1 73 LEU HB2 1 73 LEU MD2 . . 3.400 3.172 3.139 3.191 . 0 0 "[ . 1 . 2]" 1
608 1 73 LEU HB3 1 73 LEU MD2 . . 3.280 2.294 2.085 2.523 . 0 0 "[ . 1 . 2]" 1
609 1 12 VAL HA 1 12 VAL MG2 . . 3.610 2.259 2.141 2.425 . 0 0 "[ . 1 . 2]" 1
610 1 12 VAL MG2 1 44 ILE MD . . 4.220 3.870 2.602 4.211 . 0 0 "[ . 1 . 2]" 1
611 1 23 VAL QG 1 44 ILE HA . . 3.930 3.540 3.235 3.834 . 0 0 "[ . 1 . 2]" 1
612 1 55 VAL HB 1 56 THR MG . . 5.500 5.453 5.336 5.501 0.001 12 0 "[ . 1 . 2]" 1
613 1 56 THR MG 1 58 GLN HB3 . . 4.650 3.350 2.886 4.414 . 0 0 "[ . 1 . 2]" 1
614 1 56 THR MG 1 57 LYS H . . 4.780 2.241 1.918 2.548 . 0 0 "[ . 1 . 2]" 1
615 1 56 THR MG 1 58 GLN H . . 5.030 2.484 2.057 2.713 . 0 0 "[ . 1 . 2]" 1
616 1 23 VAL QG 1 25 TYR QE . . 3.970 2.157 1.820 2.585 . 0 0 "[ . 1 . 2]" 1
617 1 16 ALA MB 1 23 VAL QG . . 3.530 2.806 2.598 3.015 . 0 0 "[ . 1 . 2]" 1
618 1 23 VAL QG 1 44 ILE MD . . 3.830 1.968 1.706 2.592 . 0 0 "[ . 1 . 2]" 1
619 1 47 THR MG 1 49 TYR QD . . 4.220 2.601 1.977 3.649 . 0 0 "[ . 1 . 2]" 1
620 1 47 THR MG 1 49 TYR HA . . 4.080 3.960 3.708 4.080 . 0 0 "[ . 1 . 2]" 1
621 1 55 VAL H 1 55 VAL MG2 . . 3.680 2.053 1.895 2.310 . 0 0 "[ . 1 . 2]" 1
622 1 55 VAL HA 1 55 VAL MG2 . . 3.540 3.195 3.181 3.204 . 0 0 "[ . 1 . 2]" 1
623 1 55 VAL MG2 1 56 THR HA . . 3.960 3.761 3.569 3.947 . 0 0 "[ . 1 . 2]" 1
624 1 51 THR MG 1 52 GLY H . . 3.580 2.877 2.266 3.573 . 0 0 "[ . 1 . 2]" 1
625 1 51 THR HA 1 51 THR MG . . 3.480 2.585 2.217 3.207 . 0 0 "[ . 1 . 2]" 1
626 1 41 LYS HA 1 51 THR MG . . 4.010 3.231 2.730 4.008 . 0 0 "[ . 1 . 2]" 1
627 1 41 LYS QE 1 51 THR MG . . 4.830 2.916 1.921 4.652 . 0 0 "[ . 1 . 2]" 1
628 1 39 ILE MG 1 51 THR MG . . 3.980 2.852 2.164 3.750 . 0 0 "[ . 1 . 2]" 1
629 1 55 VAL H 1 55 VAL MG1 . . 3.470 2.338 1.957 2.679 . 0 0 "[ . 1 . 2]" 1
630 1 55 VAL MG1 1 56 THR H . . 4.090 3.995 3.886 4.091 0.001 16 0 "[ . 1 . 2]" 1
631 1 55 VAL MG1 1 59 GLU QB . . 5.080 4.971 4.604 5.093 0.013 17 0 "[ . 1 . 2]" 1
632 1 50 GLY HA3 1 68 ALA MB . . 3.060 2.930 2.694 3.068 0.008 14 0 "[ . 1 . 2]" 1
633 1 68 ALA H 1 68 ALA MB . . 3.320 2.211 2.119 2.239 . 0 0 "[ . 1 . 2]" 1
634 1 50 GLY H 1 68 ALA MB . . 4.270 3.138 2.719 3.702 . 0 0 "[ . 1 . 2]" 1
635 1 49 TYR HB2 1 68 ALA MB . . 3.770 2.979 2.667 3.226 . 0 0 "[ . 1 . 2]" 1
636 1 65 ALA MB 1 68 ALA MB . . 3.890 3.473 3.293 3.763 . 0 0 "[ . 1 . 2]" 1
637 1 12 VAL MG1 1 68 ALA MB . . 3.360 2.738 2.524 2.997 . 0 0 "[ . 1 . 2]" 1
638 1 68 ALA MB 1 72 LEU MD1 . . 4.270 3.705 2.945 4.168 . 0 0 "[ . 1 . 2]" 1
639 1 72 LEU MD2 1 76 PRO HD3 . . 5.030 4.976 4.816 5.056 0.026 14 0 "[ . 1 . 2]" 1
640 1 29 GLU HB2 1 30 PRO QD . . 3.770 2.896 2.191 3.776 0.006 10 0 "[ . 1 . 2]" 1
641 1 29 GLU HB3 1 30 PRO QD . . 3.770 2.855 2.034 3.599 . 0 0 "[ . 1 . 2]" 1
642 1 12 VAL HB 1 65 ALA MB . . 4.670 2.310 1.952 3.721 . 0 0 "[ . 1 . 2]" 1
643 1 65 ALA MB 1 66 LYS H . . 3.420 2.508 2.241 2.651 . 0 0 "[ . 1 . 2]" 1
644 1 25 TYR QE 1 65 ALA MB . . 3.970 3.514 3.163 3.892 . 0 0 "[ . 1 . 2]" 1
645 1 8 TYR HB2 1 65 ALA MB . . 4.320 4.035 3.829 4.193 . 0 0 "[ . 1 . 2]" 1
646 1 12 VAL MG1 1 65 ALA MB . . 3.920 2.979 1.775 3.405 . 0 0 "[ . 1 . 2]" 1
647 1 9 ILE MG 1 65 ALA MB . . 4.150 2.668 2.125 3.139 . 0 0 "[ . 1 . 2]" 1
648 1 9 ILE MD 1 65 ALA MB . . 3.420 2.929 2.654 3.231 . 0 0 "[ . 1 . 2]" 1
649 1 16 ALA MB 1 21 LEU H . . 3.940 3.637 3.447 3.940 . 0 0 "[ . 1 . 2]" 1
650 1 16 ALA MB 1 44 ILE MG . . 4.030 3.338 2.919 3.714 . 0 0 "[ . 1 . 2]" 1
651 1 52 GLY H 1 64 ALA MB . . 3.530 2.334 1.901 2.835 . 0 0 "[ . 1 . 2]" 1
652 1 64 ALA MB 1 65 ALA H . . 3.200 2.541 2.144 2.813 . 0 0 "[ . 1 . 2]" 1
653 1 64 ALA H 1 64 ALA MB . . 3.060 2.149 2.071 2.260 . 0 0 "[ . 1 . 2]" 1
654 1 25 TYR QE 1 64 ALA MB . . 4.410 2.618 1.977 3.500 . 0 0 "[ . 1 . 2]" 1
655 1 51 THR HA 1 64 ALA MB . . 3.760 2.896 2.264 3.279 . 0 0 "[ . 1 . 2]" 1
656 1 42 CYS HB2 1 64 ALA MB . . 3.730 2.674 2.001 3.733 0.003 19 0 "[ . 1 . 2]" 1
657 1 41 LYS HA 1 64 ALA MB . . 3.830 3.220 2.897 3.656 . 0 0 "[ . 1 . 2]" 1
658 1 42 CYS HA 1 64 ALA MB . . 4.200 3.882 3.597 4.037 . 0 0 "[ . 1 . 2]" 1
659 1 64 ALA MB 1 65 ALA HA . . 3.920 3.750 3.559 3.911 . 0 0 "[ . 1 . 2]" 1
660 1 16 ALA MB 1 44 ILE MD . . 4.690 3.026 2.547 3.784 . 0 0 "[ . 1 . 2]" 1
661 1 40 CYS H 1 60 ALA MB . . 3.880 2.289 1.898 2.991 . 0 0 "[ . 1 . 2]" 1
662 1 60 ALA MB 1 61 LYS H . . 3.330 2.108 1.881 2.318 . 0 0 "[ . 1 . 2]" 1
663 1 40 CYS HB2 1 60 ALA MB . . 3.990 2.279 1.862 3.740 . 0 0 "[ . 1 . 2]" 1
664 1 40 CYS HB3 1 60 ALA MB . . 3.990 2.840 2.204 3.687 . 0 0 "[ . 1 . 2]" 1
665 1 38 PHE HB3 1 60 ALA MB . . 4.190 3.146 2.691 3.450 . 0 0 "[ . 1 . 2]" 1
666 1 54 GLY H 1 60 ALA MB . . 3.790 2.460 2.037 2.916 . 0 0 "[ . 1 . 2]" 1
667 1 44 ILE HA 1 44 ILE MG . . 3.420 2.261 2.097 2.515 . 0 0 "[ . 1 . 2]" 1
668 1 23 VAL HA 1 44 ILE MG . . 3.550 3.166 2.930 3.585 0.035 16 0 "[ . 1 . 2]" 1
669 1 22 SER QB 1 44 ILE MG . . 5.130 3.997 3.495 4.231 . 0 0 "[ . 1 . 2]" 1
670 1 21 LEU HB3 1 44 ILE MG . . 3.500 2.492 2.295 2.686 . 0 0 "[ . 1 . 2]" 1
671 1 44 ILE MD 1 44 ILE MG . . 3.250 1.987 1.818 3.236 . 0 0 "[ . 1 . 2]" 1
672 1 21 LEU MD2 1 44 ILE MG . . 2.670 2.520 2.345 2.663 . 0 0 "[ . 1 . 2]" 1
673 1 39 ILE HA 1 39 ILE MG . . 3.560 2.321 2.203 2.437 . 0 0 "[ . 1 . 2]" 1
674 1 39 ILE MG 1 41 LYS QE . . 4.040 2.976 2.402 3.989 . 0 0 "[ . 1 . 2]" 1
675 1 39 ILE MG 1 40 CYS H . . 3.580 2.373 1.885 2.907 . 0 0 "[ . 1 . 2]" 1
676 1 39 ILE HG12 1 39 ILE MG . . 3.340 2.503 2.039 3.199 . 0 0 "[ . 1 . 2]" 1
677 1 39 ILE HG13 1 39 ILE MG . . 3.340 2.902 2.361 3.196 . 0 0 "[ . 1 . 2]" 1
678 1 9 ILE MG 1 63 LEU H . . 5.460 4.017 3.866 4.208 . 0 0 "[ . 1 . 2]" 1
679 1 8 TYR HB2 1 9 ILE MG . . 5.500 5.516 5.500 5.565 0.065 7 0 "[ . 1 . 2]" 1
680 1 9 ILE MG 1 13 ASN QB . . 5.500 5.347 4.798 5.505 0.005 7 0 "[ . 1 . 2]" 1
681 1 9 ILE MG 1 63 LEU HG . . 5.140 5.139 5.105 5.161 0.021 14 0 "[ . 1 . 2]" 1
682 1 9 ILE MG 1 13 ASN HD22 . . 4.670 4.180 3.501 4.459 . 0 0 "[ . 1 . 2]" 1
683 1 48 MET ME 1 51 THR MG . . 4.220 3.522 2.911 4.062 . 0 0 "[ . 1 . 2]" 1
684 1 69 TYR QD 1 70 GLN HA . . 5.280 3.671 3.353 4.243 . 0 0 "[ . 1 . 2]" 1
685 1 67 GLU QB 1 68 ALA MB . . 4.770 3.818 3.748 3.894 . 0 0 "[ . 1 . 2]" 1
686 1 66 LYS HA 1 69 TYR H . . 5.080 3.960 3.760 4.189 . 0 0 "[ . 1 . 2]" 1
687 1 66 LYS HA 1 69 TYR QD . . 5.120 4.818 4.490 5.070 . 0 0 "[ . 1 . 2]" 1
688 1 63 LEU HA 1 66 LYS HA . . 5.500 5.037 4.748 5.379 . 0 0 "[ . 1 . 2]" 1
689 1 65 ALA HA 1 66 LYS HA . . 5.500 4.937 4.894 4.979 . 0 0 "[ . 1 . 2]" 1
690 1 63 LEU MD2 1 66 LYS HB3 . . 4.760 3.925 3.428 4.254 . 0 0 "[ . 1 . 2]" 1
691 1 25 TYR QD 1 61 LYS HA . . 5.190 3.159 2.478 3.940 . 0 0 "[ . 1 . 2]" 1
692 1 61 LYS HA 1 64 ALA H . . 4.650 3.982 3.547 4.263 . 0 0 "[ . 1 . 2]" 1
693 1 56 THR MG 1 59 GLU QB . . 4.560 4.066 3.685 4.416 . 0 0 "[ . 1 . 2]" 1
694 1 38 PHE QD 1 57 LYS HG2 . . 4.930 3.333 2.157 4.667 . 0 0 "[ . 1 . 2]" 1
695 1 57 LYS H 1 57 LYS HG2 . . 4.840 3.882 2.317 4.652 . 0 0 "[ . 1 . 2]" 1
696 1 56 THR HB 1 59 GLU QB . . 5.500 2.767 2.336 3.197 . 0 0 "[ . 1 . 2]" 1
697 1 52 GLY HA3 1 63 LEU MD1 . . 4.610 3.581 2.947 4.253 . 0 0 "[ . 1 . 2]" 1
698 1 39 ILE MG 1 51 THR HB . . 5.420 4.877 4.066 5.353 . 0 0 "[ . 1 . 2]" 1
699 1 51 THR HB 1 64 ALA MB . . 5.500 5.211 4.371 5.500 . 0 0 "[ . 1 . 2]" 1
700 1 49 TYR HA 1 71 LYS QB . . 5.100 3.532 3.089 4.100 . 0 0 "[ . 1 . 2]" 1
701 1 44 ILE H 1 47 THR HB . . 5.050 3.284 3.040 3.505 . 0 0 "[ . 1 . 2]" 1
702 1 47 THR MG 1 48 MET H . . 5.460 2.494 2.253 2.910 . 0 0 "[ . 1 . 2]" 1
703 1 21 LEU MD2 1 45 GLY HA3 . . 5.210 4.103 3.777 4.336 . 0 0 "[ . 1 . 2]" 1
704 1 44 ILE H 1 44 ILE HG13 . . 5.010 3.521 2.714 4.217 . 0 0 "[ . 1 . 2]" 1
705 1 44 ILE MG 1 49 TYR QD . . 4.600 4.214 3.636 4.499 . 0 0 "[ . 1 . 2]" 1
706 1 16 ALA HA 1 44 ILE MD . . 5.500 4.469 3.898 5.505 0.005 16 0 "[ . 1 . 2]" 1
707 1 22 SER QB 1 44 ILE MD . . 5.500 5.328 4.890 5.524 0.024 14 0 "[ . 1 . 2]" 1
708 1 44 ILE MD 1 49 TYR HB2 . . 5.500 3.720 2.903 4.133 . 0 0 "[ . 1 . 2]" 1
709 1 44 ILE MD 1 49 TYR QE . . 5.260 4.237 3.172 4.622 . 0 0 "[ . 1 . 2]" 1
710 1 43 LYS HA 1 49 TYR QD . . 5.220 3.510 3.171 3.889 . 0 0 "[ . 1 . 2]" 1
711 1 43 LYS HG2 1 48 MET H . . 5.500 3.762 3.329 5.038 . 0 0 "[ . 1 . 2]" 1
712 1 23 VAL QG 1 42 CYS HB3 . . 4.970 4.422 3.920 4.753 . 0 0 "[ . 1 . 2]" 1
713 1 38 PHE HB2 1 60 ALA MB . . 4.190 3.788 3.342 4.190 . 0 0 "[ . 1 . 2]" 1
714 1 27 GLN HA 1 40 CYS HA . . 4.100 2.651 2.218 3.051 . 0 0 "[ . 1 . 2]" 1
715 1 27 GLN HA 1 41 LYS H . . 4.570 3.719 3.190 4.017 . 0 0 "[ . 1 . 2]" 1
716 1 26 GLU H 1 26 GLU HG3 . . 5.070 3.798 2.576 4.549 . 0 0 "[ . 1 . 2]" 1
717 1 26 GLU H 1 26 GLU HG2 . . 5.070 3.987 2.137 4.741 . 0 0 "[ . 1 . 2]" 1
718 1 25 TYR HB2 1 26 GLU H . . 5.040 4.463 4.318 4.560 . 0 0 "[ . 1 . 2]" 1
719 1 23 VAL QG 1 24 ASN HA . . 4.870 3.307 3.201 3.401 . 0 0 "[ . 1 . 2]" 1
720 1 24 ASN HA 1 25 TYR QD . . 4.770 3.388 2.878 3.903 . 0 0 "[ . 1 . 2]" 1
721 1 16 ALA HA 1 23 VAL QG . . 5.500 4.929 4.686 5.137 . 0 0 "[ . 1 . 2]" 1
722 1 22 SER QB 1 23 VAL QG . . 5.500 4.665 4.580 4.785 . 0 0 "[ . 1 . 2]" 1
723 1 19 LYS H 1 20 LYS HA . . 4.980 4.680 4.629 4.730 . 0 0 "[ . 1 . 2]" 1
724 1 16 ALA HA 1 19 LYS HB3 . . 4.630 4.408 4.241 4.555 . 0 0 "[ . 1 . 2]" 1
725 1 64 ALA HA 1 67 GLU QG . . 5.500 4.601 3.119 5.500 . 0 0 "[ . 1 . 2]" 1
726 1 51 THR HA 1 64 ALA HA . . 4.990 3.449 2.748 3.993 . 0 0 "[ . 1 . 2]" 1
727 1 64 ALA HA 1 67 GLU H . . 4.550 4.042 3.671 4.255 . 0 0 "[ . 1 . 2]" 1
728 1 13 ASN QB 1 14 SER HA . . 5.010 3.819 3.695 4.019 . 0 0 "[ . 1 . 2]" 1
729 1 9 ILE HA 1 12 VAL H . . 4.990 4.762 4.532 4.952 . 0 0 "[ . 1 . 2]" 1
730 1 9 ILE HB 1 10 GLY HA2 . . 5.150 4.270 4.228 4.319 . 0 0 "[ . 1 . 2]" 1
731 1 9 ILE HB 1 10 GLY HA3 . . 5.150 4.219 4.167 4.290 . 0 0 "[ . 1 . 2]" 1
732 1 44 ILE MD 1 49 TYR HB3 . . 5.500 4.275 3.887 4.505 . 0 0 "[ . 1 . 2]" 1
733 1 49 TYR HA 1 49 TYR QD . . 3.900 2.875 2.295 3.049 . 0 0 "[ . 1 . 2]" 1
734 1 49 TYR QD 1 72 LEU MD2 . . 4.360 3.865 3.368 4.084 . 0 0 "[ . 1 . 2]" 1
735 1 44 ILE H 1 49 TYR QE . . 4.400 3.670 3.272 4.066 . 0 0 "[ . 1 . 2]" 1
736 1 43 LYS HB3 1 48 MET HA . . 4.540 4.189 3.882 4.428 . 0 0 "[ . 1 . 2]" 1
737 1 48 MET HG2 1 49 TYR H . . 5.500 3.269 2.771 4.774 . 0 0 "[ . 1 . 2]" 1
738 1 48 MET HG3 1 49 TYR H . . 5.500 3.759 3.143 4.850 . 0 0 "[ . 1 . 2]" 1
739 1 47 THR HB 1 49 TYR QD . . 4.330 3.146 2.813 3.908 . 0 0 "[ . 1 . 2]" 1
740 1 47 THR MG 1 49 TYR QE . . 3.860 2.324 1.881 3.350 . 0 0 "[ . 1 . 2]" 1
741 1 43 LYS HB3 1 46 GLN HA . . 3.970 3.407 3.099 3.933 . 0 0 "[ . 1 . 2]" 1
742 1 21 LEU MD2 1 45 GLY HA2 . . 5.210 5.048 4.816 5.208 . 0 0 "[ . 1 . 2]" 1
743 1 22 SER H 1 44 ILE MG . . 4.610 2.985 2.615 3.287 . 0 0 "[ . 1 . 2]" 1
744 1 39 ILE MG 1 40 CYS HA . . 5.500 3.669 3.426 3.987 . 0 0 "[ . 1 . 2]" 1
745 1 36 GLN HG2 1 37 ARG H . . 5.500 4.871 4.007 5.447 . 0 0 "[ . 1 . 2]" 1
746 1 36 GLN HG3 1 37 ARG H . . 5.500 4.515 3.346 5.502 0.002 1 0 "[ . 1 . 2]" 1
747 1 25 TYR QD 1 42 CYS HA . . 4.590 3.397 2.651 3.918 . 0 0 "[ . 1 . 2]" 1
748 1 25 TYR QD 1 26 GLU H . . 4.790 4.500 4.239 4.777 . 0 0 "[ . 1 . 2]" 1
749 1 25 TYR QD 1 64 ALA MB . . 4.320 3.109 2.707 3.406 . 0 0 "[ . 1 . 2]" 1
750 1 34 LEU H 1 34 LEU HG . . 4.780 3.521 1.978 4.383 . 0 0 "[ . 1 . 2]" 1
751 1 49 TYR HA 1 68 ALA HA . . 4.770 4.114 3.680 4.434 . 0 0 "[ . 1 . 2]" 1
752 1 49 TYR HA 1 50 GLY HA3 . . 5.340 5.014 4.897 5.096 . 0 0 "[ . 1 . 2]" 1
753 1 44 ILE MD 1 65 ALA HA . . 5.500 5.300 4.971 5.520 0.020 14 0 "[ . 1 . 2]" 1
754 1 44 ILE MD 1 68 ALA HA . . 5.500 5.159 4.751 5.440 . 0 0 "[ . 1 . 2]" 1
755 1 43 LYS HG3 1 48 MET H . . 5.500 5.016 4.010 5.492 . 0 0 "[ . 1 . 2]" 1
756 1 24 ASN HB3 1 43 LYS H . . 4.400 3.944 3.021 4.399 . 0 0 "[ . 1 . 2]" 1
757 1 22 SER QB 1 45 GLY H . . 5.470 3.121 2.864 3.520 . 0 0 "[ . 1 . 2]" 1
758 1 19 LYS HA 1 21 LEU MD1 . . 5.170 4.416 4.198 4.831 . 0 0 "[ . 1 . 2]" 1
759 1 19 LYS H 1 21 LEU MD1 . . 5.500 4.122 3.869 4.535 . 0 0 "[ . 1 . 2]" 1
760 1 20 LYS H 1 21 LEU MD1 . . 5.500 5.147 4.920 5.505 0.005 14 0 "[ . 1 . 2]" 1
761 1 21 LEU MD1 1 22 SER H . . 5.500 4.297 4.035 4.486 . 0 0 "[ . 1 . 2]" 1
762 1 19 LYS HA 1 20 LYS QG . . 4.760 4.096 3.202 4.694 . 0 0 "[ . 1 . 2]" 1
763 1 16 ALA HA 1 19 LYS QG . . 5.030 4.771 4.306 5.030 0.000 11 0 "[ . 1 . 2]" 1
764 1 15 PHE QE 1 19 LYS HD2 . . 4.700 3.267 2.051 4.528 . 0 0 "[ . 1 . 2]" 1
765 1 15 PHE QE 1 19 LYS HD3 . . 4.700 3.216 1.999 4.199 . 0 0 "[ . 1 . 2]" 1
766 1 15 PHE HA 1 18 LYS H . . 4.890 3.774 3.510 4.033 . 0 0 "[ . 1 . 2]" 1
767 1 15 PHE HA 1 16 ALA MB . . 5.500 5.017 5.002 5.033 . 0 0 "[ . 1 . 2]" 1
768 1 15 PHE HB2 1 72 LEU MD1 . . 4.720 4.018 3.501 4.720 . 0 0 "[ . 1 . 2]" 1
769 1 15 PHE QD 1 21 LEU MD1 . . 4.640 3.377 2.821 3.932 . 0 0 "[ . 1 . 2]" 1
770 1 38 PHE QD 1 57 LYS QD . . 4.510 3.284 1.969 4.482 . 0 0 "[ . 1 . 2]" 1
771 1 15 PHE HA 1 15 PHE QE . . 4.880 4.547 4.443 4.709 . 0 0 "[ . 1 . 2]" 1
772 1 13 ASN QB 1 14 SER HB2 . . 5.500 4.439 3.799 5.115 . 0 0 "[ . 1 . 2]" 1
773 1 13 ASN QB 1 14 SER HB3 . . 5.500 4.914 3.773 5.437 . 0 0 "[ . 1 . 2]" 1
774 1 12 VAL MG1 1 13 ASN QB . . 5.500 4.296 3.500 4.576 . 0 0 "[ . 1 . 2]" 1
775 1 13 ASN QB 1 23 VAL QG . . 5.500 4.472 4.228 4.609 . 0 0 "[ . 1 . 2]" 1
776 1 12 VAL MG2 1 65 ALA MB . . 3.920 2.438 1.961 3.671 . 0 0 "[ . 1 . 2]" 1
777 1 12 VAL MG2 1 68 ALA MB . . 3.360 2.019 1.918 2.210 . 0 0 "[ . 1 . 2]" 1
778 1 11 LEU MD2 1 69 TYR QE . . 4.320 3.014 2.697 3.434 . 0 0 "[ . 1 . 2]" 1
779 1 9 ILE MG 1 62 GLN QB . . 5.500 1.975 1.835 2.093 . 0 0 "[ . 1 . 2]" 1
780 1 9 ILE MG 1 10 GLY H . . 4.830 3.687 3.616 3.754 . 0 0 "[ . 1 . 2]" 1
781 1 9 ILE MD 1 62 GLN HE21 . . 5.110 3.510 3.003 4.397 . 0 0 "[ . 1 . 2]" 1
782 1 39 ILE HG12 1 53 SER QB . . 4.510 2.979 1.963 4.304 . 0 0 "[ . 1 . 2]" 1
783 1 53 SER QB 1 60 ALA MB . . 4.510 3.979 3.770 4.230 . 0 0 "[ . 1 . 2]" 1
784 1 38 PHE QD 1 55 VAL HA . . 5.240 3.942 3.060 4.858 . 0 0 "[ . 1 . 2]" 1
785 1 38 PHE HA 1 57 LYS HA . . 5.500 4.920 4.360 5.472 . 0 0 "[ . 1 . 2]" 1
786 1 56 THR HB 1 57 LYS HA . . 5.500 5.268 5.139 5.455 . 0 0 "[ . 1 . 2]" 1
787 1 38 PHE QD 1 57 LYS HA . . 4.990 2.855 2.006 3.888 . 0 0 "[ . 1 . 2]" 1
788 1 38 PHE QD 1 57 LYS HG3 . . 4.930 3.248 2.317 4.213 . 0 0 "[ . 1 . 2]" 1
789 1 27 GLN QG 1 57 LYS QD . . 4.600 3.599 2.092 4.603 0.003 10 0 "[ . 1 . 2]" 1
790 1 57 LYS H 1 57 LYS QD . . 5.500 4.244 3.729 4.596 . 0 0 "[ . 1 . 2]" 1
791 1 57 LYS QD 1 58 GLN H . . 5.500 4.322 2.805 5.023 . 0 0 "[ . 1 . 2]" 1
792 1 58 GLN HA 1 62 GLN H . . 5.240 3.869 3.611 4.204 . 0 0 "[ . 1 . 2]" 1
793 1 56 THR MG 1 58 GLN HA . . 4.960 4.749 4.373 4.959 . 0 0 "[ . 1 . 2]" 1
794 1 56 THR HB 1 58 GLN HB3 . . 5.110 3.576 3.222 4.507 . 0 0 "[ . 1 . 2]" 1
795 1 56 THR HB 1 58 GLN HB2 . . 5.500 4.531 3.155 5.150 . 0 0 "[ . 1 . 2]" 1
796 1 59 GLU QB 1 60 ALA MB . . 4.850 3.637 3.471 3.909 . 0 0 "[ . 1 . 2]" 1
797 1 59 GLU QB 1 60 ALA HA . . 5.500 4.023 3.903 4.155 . 0 0 "[ . 1 . 2]" 1
798 1 59 GLU QG 1 60 ALA H . . 5.220 3.648 3.078 3.983 . 0 0 "[ . 1 . 2]" 1
799 1 59 GLU QG 1 63 LEU H . . 5.420 4.541 4.326 4.784 . 0 0 "[ . 1 . 2]" 1
800 1 52 GLY HA2 1 60 ALA HA . . 4.600 4.103 3.760 4.335 . 0 0 "[ . 1 . 2]" 1
801 1 53 SER HA 1 60 ALA HA . . 5.080 3.761 3.387 4.311 . 0 0 "[ . 1 . 2]" 1
802 1 59 GLU QG 1 60 ALA HA . . 5.500 3.848 3.416 4.214 . 0 0 "[ . 1 . 2]" 1
803 1 61 LYS HB3 1 62 GLN QG . . 4.520 3.603 3.284 3.869 . 0 0 "[ . 1 . 2]" 1
804 1 63 LEU HG 1 64 ALA H . . 5.100 4.261 4.189 4.457 . 0 0 "[ . 1 . 2]" 1
805 1 52 GLY HA2 1 63 LEU MD1 . . 4.610 3.513 2.987 3.874 . 0 0 "[ . 1 . 2]" 1
806 1 63 LEU H 1 63 LEU MD1 . . 4.570 3.150 3.097 3.210 . 0 0 "[ . 1 . 2]" 1
807 1 63 LEU MD2 1 66 LYS HD2 . . 3.890 3.427 2.572 3.796 . 0 0 "[ . 1 . 2]" 1
808 1 63 LEU MD2 1 66 LYS HB2 . . 4.760 3.851 3.467 4.385 . 0 0 "[ . 1 . 2]" 1
809 1 23 VAL QG 1 68 ALA MB . . 4.890 4.034 3.829 4.203 . 0 0 "[ . 1 . 2]" 1
810 1 50 GLY HA2 1 68 ALA MB . . 4.550 4.292 4.090 4.451 . 0 0 "[ . 1 . 2]" 1
811 1 49 TYR HA 1 68 ALA MB . . 4.800 4.614 4.240 4.793 . 0 0 "[ . 1 . 2]" 1
812 1 69 TYR QD 1 70 GLN H . . 5.220 3.429 2.978 3.940 . 0 0 "[ . 1 . 2]" 1
813 1 11 LEU HB2 1 69 TYR QE . . 4.340 4.072 3.853 4.340 . 0 0 "[ . 1 . 2]" 1
814 1 8 TYR HB3 1 69 TYR QE . . 5.160 4.320 3.684 4.835 . 0 0 "[ . 1 . 2]" 1
815 1 69 TYR HA 1 69 TYR QE . . 5.500 4.464 4.304 4.628 . 0 0 "[ . 1 . 2]" 1
816 1 12 VAL HA 1 69 TYR QE . . 5.500 4.561 4.029 5.060 . 0 0 "[ . 1 . 2]" 1
817 1 71 LYS QB 1 72 LEU HA . . 4.930 3.991 3.753 4.266 . 0 0 "[ . 1 . 2]" 1
818 1 49 TYR QD 1 71 LYS HG3 . . 5.500 3.859 2.505 5.364 . 0 0 "[ . 1 . 2]" 1
819 1 49 TYR QD 1 72 LEU HA . . 5.010 4.338 3.357 5.008 . 0 0 "[ . 1 . 2]" 1
820 1 69 TYR H 1 72 LEU MD1 . . 5.500 4.721 4.080 5.226 . 0 0 "[ . 1 . 2]" 1
821 1 69 TYR QD 1 73 LEU MD2 . . 4.280 3.726 3.168 4.069 . 0 0 "[ . 1 . 2]" 1
822 1 8 TYR H 1 8 TYR QD . . 4.710 2.094 1.896 2.415 . 0 0 "[ . 1 . 2]" 1
823 1 8 TYR QE 1 66 LYS HA . . 5.320 5.270 5.088 5.324 0.004 20 0 "[ . 1 . 2]" 1
824 1 8 TYR QD 1 69 TYR HB3 . . 4.070 3.977 3.784 4.079 0.009 14 0 "[ . 1 . 2]" 1
825 1 39 ILE HG13 1 53 SER QB . . 4.510 3.757 2.759 4.363 . 0 0 "[ . 1 . 2]" 1
826 1 39 ILE HB 1 53 SER QB . . 5.040 4.842 4.442 5.045 0.005 16 0 "[ . 1 . 2]" 1
827 1 75 SER HA 1 76 PRO HD3 . . 3.620 2.702 2.676 2.712 . 0 0 "[ . 1 . 2]" 1
828 1 72 LEU HA 1 76 PRO HA . . 3.320 2.877 2.081 3.325 0.005 14 0 "[ . 1 . 2]" 1
829 1 76 PRO HA 1 77 PRO QD . . 3.520 2.179 2.057 2.200 . 0 0 "[ . 1 . 2]" 1
830 1 18 LYS QB 1 19 LYS QG . . 4.640 3.788 3.244 4.305 . 0 0 "[ . 1 . 2]" 1
831 1 49 TYR QD 1 71 LYS HG2 . . 5.500 3.847 2.611 4.999 . 0 0 "[ . 1 . 2]" 1
832 1 68 ALA MB 1 69 TYR HB2 . . 4.340 4.035 3.810 4.189 . 0 0 "[ . 1 . 2]" 1
833 1 11 LEU HB3 1 69 TYR QE . . 4.340 2.616 2.339 3.033 . 0 0 "[ . 1 . 2]" 1
834 1 9 ILE MG 1 62 GLN HA . . 4.220 1.958 1.820 2.142 . 0 0 "[ . 1 . 2]" 1
835 1 62 GLN HA 1 65 ALA MB . . 3.600 3.465 3.286 3.621 0.021 17 0 "[ . 1 . 2]" 1
836 1 61 LYS HB3 1 62 GLN HA . . 4.230 4.115 3.943 4.223 . 0 0 "[ . 1 . 2]" 1
837 1 8 TYR QD 1 65 ALA MB . . 5.500 5.438 5.310 5.510 0.010 14 0 "[ . 1 . 2]" 1
838 1 39 ILE HA 1 53 SER HA . . 3.720 2.250 2.108 2.454 . 0 0 "[ . 1 . 2]" 1
839 1 42 CYS HA 1 43 LYS HB2 . . 4.820 4.355 4.287 4.430 . 0 0 "[ . 1 . 2]" 1
840 1 39 ILE MD 1 40 CYS H . . 5.500 4.694 3.583 5.312 . 0 0 "[ . 1 . 2]" 1
841 1 28 CYS H 1 39 ILE MG . . 5.370 4.052 3.333 4.558 . 0 0 "[ . 1 . 2]" 1
842 1 39 ILE MG 1 54 GLY H . . 5.500 4.701 4.265 5.256 . 0 0 "[ . 1 . 2]" 1
843 1 42 CYS H 1 51 THR HA . . 4.670 2.710 2.349 2.903 . 0 0 "[ . 1 . 2]" 1
844 1 20 LYS H 1 20 LYS QD . . 5.360 4.207 2.413 5.136 . 0 0 "[ . 1 . 2]" 1
845 1 68 ALA HA 1 71 LYS H . . 3.880 3.642 3.342 3.849 . 0 0 "[ . 1 . 2]" 1
846 1 13 ASN HA 1 17 GLN H . . 5.080 4.800 4.363 5.082 0.002 2 0 "[ . 1 . 2]" 1
847 1 9 ILE HG13 1 62 GLN HA . . 4.840 4.351 4.069 4.628 . 0 0 "[ . 1 . 2]" 1
848 1 21 LEU HB3 1 21 LEU MD2 . . 3.050 2.158 2.034 2.312 . 0 0 "[ . 1 . 2]" 1
849 1 22 SER HA 1 23 VAL HB . . 4.770 4.349 4.198 4.481 . 0 0 "[ . 1 . 2]" 1
850 1 22 SER QB 1 23 VAL HB . . 5.500 5.410 5.358 5.474 . 0 0 "[ . 1 . 2]" 1
851 1 8 TYR HB3 1 11 LEU QB . . 3.530 2.690 2.616 2.766 . 0 0 "[ . 1 . 2]" 1
852 1 8 TYR QD 1 11 LEU QB . . 4.210 3.824 3.685 3.926 . 0 0 "[ . 1 . 2]" 1
853 1 8 TYR QD 1 66 LYS QB . . 4.270 3.644 2.992 4.089 . 0 0 "[ . 1 . 2]" 1
854 1 8 TYR QD 1 66 LYS QG . . 5.220 2.294 1.986 2.753 . 0 0 "[ . 1 . 2]" 1
855 1 8 TYR QE 1 66 LYS QG . . 4.920 3.408 3.220 3.673 . 0 0 "[ . 1 . 2]" 1
856 1 8 TYR QE 1 66 LYS QD . . 4.140 3.932 3.542 4.149 0.009 19 0 "[ . 1 . 2]" 1
857 1 9 ILE H 1 62 GLN QE . . 5.340 5.160 4.909 5.349 0.009 10 0 "[ . 1 . 2]" 1
858 1 9 ILE HA 1 12 VAL QG . . 4.980 4.283 3.348 4.563 . 0 0 "[ . 1 . 2]" 1
859 1 9 ILE HB 1 10 GLY QA . . 4.430 3.781 3.748 3.823 . 0 0 "[ . 1 . 2]" 1
860 1 9 ILE HB 1 62 GLN QE . . 5.340 3.241 2.804 3.790 . 0 0 "[ . 1 . 2]" 1
861 1 9 ILE MG 1 10 GLY QA . . 3.960 3.649 3.564 3.703 . 0 0 "[ . 1 . 2]" 1
862 1 9 ILE HG12 1 62 GLN QE . . 5.340 3.725 3.488 4.243 . 0 0 "[ . 1 . 2]" 1
863 1 9 ILE HG13 1 62 GLN QE . . 5.170 2.250 1.889 3.132 . 0 0 "[ . 1 . 2]" 1
864 1 9 ILE MD 1 62 GLN QE . . 4.480 3.380 2.947 4.082 . 0 0 "[ . 1 . 2]" 1
865 1 10 GLY QA 1 12 VAL H . . 5.330 4.115 3.530 4.470 . 0 0 "[ . 1 . 2]" 1
866 1 10 GLY QA 1 13 ASN QB . . 3.250 2.571 2.046 2.758 . 0 0 "[ . 1 . 2]" 1
867 1 11 LEU H 1 11 LEU QB . . 3.460 2.304 2.252 2.338 . 0 0 "[ . 1 . 2]" 1
868 1 11 LEU QB 1 11 LEU MD1 . . 3.270 2.047 2.018 2.065 . 0 0 "[ . 1 . 2]" 1
869 1 11 LEU QB 1 12 VAL H . . 3.730 2.378 2.188 2.763 . 0 0 "[ . 1 . 2]" 1
870 1 11 LEU QB 1 69 TYR QD . . 4.490 2.649 2.306 3.116 . 0 0 "[ . 1 . 2]" 1
871 1 12 VAL H 1 12 VAL QG . . 3.190 2.249 1.936 2.475 . 0 0 "[ . 1 . 2]" 1
872 1 12 VAL HA 1 12 VAL QG . . 3.040 2.085 2.020 2.227 . 0 0 "[ . 1 . 2]" 1
873 1 12 VAL QG 1 13 ASN H . . 3.990 2.710 2.000 2.948 . 0 0 "[ . 1 . 2]" 1
874 1 12 VAL QG 1 13 ASN HA . . 4.390 3.063 2.839 3.366 . 0 0 "[ . 1 . 2]" 1
875 1 12 VAL QG 1 13 ASN QB . . 4.530 4.126 3.434 4.313 . 0 0 "[ . 1 . 2]" 1
876 1 12 VAL QG 1 15 PHE QB . . 5.270 3.133 2.886 3.442 . 0 0 "[ . 1 . 2]" 1
877 1 12 VAL QG 1 15 PHE QD . . 5.440 4.159 3.647 4.582 . 0 0 "[ . 1 . 2]" 1
878 1 12 VAL QG 1 16 ALA MB . . 3.460 3.081 2.848 3.330 . 0 0 "[ . 1 . 2]" 1
879 1 12 VAL QG 1 23 VAL HA . . 5.340 4.886 4.699 5.054 . 0 0 "[ . 1 . 2]" 1
880 1 12 VAL QG 1 23 VAL HB . . 4.500 3.743 3.603 3.931 . 0 0 "[ . 1 . 2]" 1
881 1 12 VAL QG 1 23 VAL QG . . 3.730 2.318 2.203 2.488 . 0 0 "[ . 1 . 2]" 1
882 1 12 VAL QG 1 25 TYR QE . . 5.440 3.954 3.330 4.328 . 0 0 "[ . 1 . 2]" 1
883 1 12 VAL QG 1 44 ILE MD . . 3.170 2.611 2.410 2.955 . 0 0 "[ . 1 . 2]" 1
884 1 12 VAL QG 1 49 TYR QD . . 5.440 4.640 4.050 5.229 . 0 0 "[ . 1 . 2]" 1
885 1 12 VAL QG 1 65 ALA HA . . 3.140 2.465 1.994 2.924 . 0 0 "[ . 1 . 2]" 1
886 1 12 VAL QG 1 65 ALA MB . . 3.190 2.262 1.772 2.535 . 0 0 "[ . 1 . 2]" 1
887 1 12 VAL QG 1 68 ALA MB . . 2.350 1.968 1.881 2.152 . 0 0 "[ . 1 . 2]" 1
888 1 12 VAL QG 1 69 TYR H . . 3.860 2.482 2.045 2.859 . 0 0 "[ . 1 . 2]" 1
889 1 12 VAL QG 1 69 TYR HA . . 3.630 2.542 2.086 3.043 . 0 0 "[ . 1 . 2]" 1
890 1 12 VAL QG 1 69 TYR HB2 . . 3.330 2.185 1.812 2.840 . 0 0 "[ . 1 . 2]" 1
891 1 12 VAL QG 1 69 TYR HB3 . . 3.840 3.535 3.186 3.851 0.011 2 0 "[ . 1 . 2]" 1
892 1 12 VAL QG 1 69 TYR QD . . 3.540 2.592 2.083 3.544 0.004 2 0 "[ . 1 . 2]" 1
893 1 12 VAL QG 1 72 LEU MD1 . . 3.390 2.822 1.869 3.210 . 0 0 "[ . 1 . 2]" 1
894 1 14 SER H 1 14 SER QB . . 3.540 2.402 2.234 2.554 . 0 0 "[ . 1 . 2]" 1
895 1 14 SER QB 1 15 PHE H . . 3.630 2.585 2.100 3.531 . 0 0 "[ . 1 . 2]" 1
896 1 15 PHE HA 1 18 LYS QG . . 5.340 3.764 2.771 4.182 . 0 0 "[ . 1 . 2]" 1
897 1 15 PHE QB 1 16 ALA H . . 3.300 2.205 1.888 2.614 . 0 0 "[ . 1 . 2]" 1
898 1 15 PHE QB 1 69 TYR QE . . 3.860 3.345 2.802 3.863 0.003 14 0 "[ . 1 . 2]" 1
899 1 15 PHE QB 1 72 LEU MD1 . . 4.040 3.061 2.647 3.635 . 0 0 "[ . 1 . 2]" 1
900 1 15 PHE QD 1 73 LEU QD . . 4.780 4.456 3.952 4.780 0.000 15 0 "[ . 1 . 2]" 1
901 1 15 PHE QE 1 19 LYS QD . . 4.090 2.490 1.803 3.171 . 0 0 "[ . 1 . 2]" 1
902 1 15 PHE QE 1 19 LYS QE . . 3.520 2.546 1.905 3.355 . 0 0 "[ . 1 . 2]" 1
903 1 15 PHE QE 1 73 LEU QD . . 4.790 3.516 2.798 4.371 . 0 0 "[ . 1 . 2]" 1
904 1 16 ALA MB 1 17 GLN QG . . 5.340 4.900 4.648 5.245 . 0 0 "[ . 1 . 2]" 1
905 1 17 GLN H 1 17 GLN QG . . 3.960 3.886 3.775 4.031 0.071 16 0 "[ . 1 . 2]" 1
906 1 17 GLN HB2 1 17 GLN QG . . 2.400 2.280 2.150 2.416 0.016 4 0 "[ . 1 . 2]" 1
907 1 17 GLN HB3 1 17 GLN QG . . 2.630 2.332 2.153 2.465 . 0 0 "[ . 1 . 2]" 1
908 1 18 LYS H 1 18 LYS QG . . 3.580 2.570 1.994 3.468 . 0 0 "[ . 1 . 2]" 1
909 1 18 LYS HA 1 18 LYS QG . . 3.210 2.306 2.162 2.477 . 0 0 "[ . 1 . 2]" 1
910 1 19 LYS H 1 19 LYS QD . . 5.190 3.429 2.301 4.490 . 0 0 "[ . 1 . 2]" 1
911 1 19 LYS HA 1 19 LYS QD . . 3.760 3.296 2.580 3.722 . 0 0 "[ . 1 . 2]" 1
912 1 19 LYS HB2 1 19 LYS QD . . 2.920 2.446 2.071 2.689 . 0 0 "[ . 1 . 2]" 1
913 1 19 LYS HB3 1 19 LYS QD . . 3.690 2.794 2.204 3.300 . 0 0 "[ . 1 . 2]" 1
914 1 19 LYS QE 1 19 LYS QG . . 3.420 2.184 2.061 2.478 . 0 0 "[ . 1 . 2]" 1
915 1 20 LYS QB 1 20 LYS QE . . 3.860 2.769 2.066 3.775 . 0 0 "[ . 1 . 2]" 1
916 1 21 LEU MD2 1 45 GLY QA . . 4.380 3.931 3.652 4.113 . 0 0 "[ . 1 . 2]" 1
917 1 23 VAL HA 1 24 ASN QB . . 5.340 4.114 3.938 4.202 . 0 0 "[ . 1 . 2]" 1
918 1 23 VAL QG 1 42 CYS QB . . 4.140 3.699 3.103 4.068 . 0 0 "[ . 1 . 2]" 1
919 1 24 ASN QB 1 25 TYR H . . 3.800 2.903 2.424 3.695 . 0 0 "[ . 1 . 2]" 1
920 1 24 ASN QB 1 43 LYS H . . 3.860 3.358 2.969 3.657 . 0 0 "[ . 1 . 2]" 1
921 1 24 ASN QB 1 43 LYS HB3 . . 3.840 3.648 3.297 3.833 . 0 0 "[ . 1 . 2]" 1
922 1 25 TYR H 1 25 TYR QB . . 3.570 2.567 2.371 2.689 . 0 0 "[ . 1 . 2]" 1
923 1 25 TYR QB 1 26 GLU H . . 4.300 3.587 3.402 3.686 . 0 0 "[ . 1 . 2]" 1
924 1 25 TYR QB 1 61 LYS QD . . 3.640 2.963 1.976 3.640 0.000 17 0 "[ . 1 . 2]" 1
925 1 25 TYR QD 1 42 CYS QB . . 4.620 3.184 2.133 3.817 . 0 0 "[ . 1 . 2]" 1
926 1 25 TYR QD 1 61 LYS QG . . 3.770 2.548 2.116 3.244 . 0 0 "[ . 1 . 2]" 1
927 1 25 TYR QD 1 61 LYS QD . . 4.030 3.366 2.046 3.912 . 0 0 "[ . 1 . 2]" 1
928 1 25 TYR QE 1 42 CYS QB . . 4.020 2.694 1.939 3.390 . 0 0 "[ . 1 . 2]" 1
929 1 26 GLU H 1 26 GLU QG . . 4.350 3.365 2.098 4.110 . 0 0 "[ . 1 . 2]" 1
930 1 26 GLU HA 1 26 GLU QG . . 3.660 2.562 2.169 3.339 . 0 0 "[ . 1 . 2]" 1
931 1 26 GLU QB 1 41 LYS H . . 5.030 3.537 2.958 4.448 . 0 0 "[ . 1 . 2]" 1
932 1 26 GLU QB 1 41 LYS QB . . 3.970 2.507 1.966 3.811 . 0 0 "[ . 1 . 2]" 1
933 1 27 GLN QB 1 28 CYS HA . . 5.340 4.620 4.053 5.096 . 0 0 "[ . 1 . 2]" 1
934 1 28 CYS H 1 28 CYS QB . . 3.670 2.367 2.139 2.869 . 0 0 "[ . 1 . 2]" 1
935 1 28 CYS HA 1 29 GLU QB . . 4.520 4.296 4.086 4.503 . 0 0 "[ . 1 . 2]" 1
936 1 28 CYS QB 1 29 GLU H . . 4.360 2.856 2.003 3.695 . 0 0 "[ . 1 . 2]" 1
937 1 28 CYS QB 1 39 ILE MG . . 4.170 3.525 3.026 4.172 0.002 4 0 "[ . 1 . 2]" 1
938 1 29 GLU QB 1 30 PRO QD . . 2.990 2.225 2.022 2.410 . 0 0 "[ . 1 . 2]" 1
939 1 33 GLU HA 1 33 GLU QG . . 3.640 2.717 2.191 3.443 . 0 0 "[ . 1 . 2]" 1
940 1 33 GLU QB 1 34 LEU H . . 4.430 3.040 1.998 3.769 . 0 0 "[ . 1 . 2]" 1
941 1 34 LEU HA 1 34 LEU QD . . 3.820 2.435 1.966 3.184 . 0 0 "[ . 1 . 2]" 1
942 1 34 LEU QB 1 35 PRO QD . . 4.600 3.646 3.579 3.723 . 0 0 "[ . 1 . 2]" 1
943 1 34 LEU QD 1 35 PRO HA . . 4.340 2.464 1.822 3.517 . 0 0 "[ . 1 . 2]" 1
944 1 34 LEU QD 1 36 GLN H . . 4.910 2.952 2.011 4.153 . 0 0 "[ . 1 . 2]" 1
945 1 34 LEU QD 1 36 GLN QB . . 4.300 3.136 2.152 4.083 . 0 0 "[ . 1 . 2]" 1
946 1 34 LEU QD 1 36 GLN QG . . 4.590 3.121 1.824 4.366 . 0 0 "[ . 1 . 2]" 1
947 1 35 PRO QB 1 36 GLN H . . 3.960 2.566 2.238 3.171 . 0 0 "[ . 1 . 2]" 1
948 1 35 PRO QB 1 37 ARG H . . 5.140 4.637 2.641 5.142 0.002 6 0 "[ . 1 . 2]" 1
949 1 35 PRO QG 1 37 ARG H . . 5.350 4.890 3.730 5.350 . 0 0 "[ . 1 . 2]" 1
950 1 36 GLN HA 1 36 GLN QG . . 3.740 2.848 2.221 3.437 . 0 0 "[ . 1 . 2]" 1
951 1 36 GLN QB 1 37 ARG H . . 4.290 3.632 3.203 4.039 . 0 0 "[ . 1 . 2]" 1
952 1 37 ARG H 1 39 ILE QG . . 5.340 4.997 3.911 5.339 . 0 0 "[ . 1 . 2]" 1
953 1 37 ARG HA 1 37 ARG QD . . 4.000 3.851 2.327 4.142 0.142 11 0 "[ . 1 . 2]" 1
954 1 37 ARG QB 1 37 ARG QD . . 3.190 2.168 2.009 2.660 . 0 0 "[ . 1 . 2]" 1
955 1 37 ARG QD 1 39 ILE QG . . 3.120 2.612 1.832 3.122 0.002 7 0 "[ . 1 . 2]" 1
956 1 38 PHE QB 1 57 LYS HA . . 3.850 2.414 1.961 2.903 . 0 0 "[ . 1 . 2]" 1
957 1 38 PHE QB 1 57 LYS QG . . 4.580 3.594 2.568 4.208 . 0 0 "[ . 1 . 2]" 1
958 1 38 PHE QB 1 60 ALA MB . . 3.360 2.993 2.585 3.243 . 0 0 "[ . 1 . 2]" 1
959 1 38 PHE QD 1 57 LYS QG . . 4.300 2.689 2.006 3.878 . 0 0 "[ . 1 . 2]" 1
960 1 38 PHE QE 1 57 LYS QG . . 4.880 3.437 2.221 4.747 . 0 0 "[ . 1 . 2]" 1
961 1 39 ILE QG 1 39 ILE MG . . 2.890 2.223 1.978 2.466 . 0 0 "[ . 1 . 2]" 1
962 1 39 ILE QG 1 40 CYS H . . 4.720 4.281 3.929 4.683 . 0 0 "[ . 1 . 2]" 1
963 1 39 ILE QG 1 53 SER HA . . 4.910 3.314 2.288 4.454 . 0 0 "[ . 1 . 2]" 1
964 1 39 ILE QG 1 53 SER QB . . 3.950 2.777 1.948 3.817 . 0 0 "[ . 1 . 2]" 1
965 1 40 CYS H 1 40 CYS QB . . 3.620 2.575 2.293 3.010 . 0 0 "[ . 1 . 2]" 1
966 1 40 CYS QB 1 60 ALA MB . . 3.350 2.081 1.852 2.673 . 0 0 "[ . 1 . 2]" 1
967 1 40 CYS QB 1 61 LYS HA . . 3.810 2.235 1.974 3.235 . 0 0 "[ . 1 . 2]" 1
968 1 40 CYS QB 1 64 ALA MB . . 3.710 2.829 2.186 3.732 0.022 19 0 "[ . 1 . 2]" 1
969 1 41 LYS H 1 41 LYS QG . . 4.170 3.043 2.323 4.024 . 0 0 "[ . 1 . 2]" 1
970 1 41 LYS HA 1 42 CYS QB . . 5.340 4.199 4.045 4.582 . 0 0 "[ . 1 . 2]" 1
971 1 41 LYS QG 1 51 THR MG . . 3.860 2.430 1.876 3.772 . 0 0 "[ . 1 . 2]" 1
972 1 42 CYS H 1 42 CYS QB . . 3.510 2.467 2.190 2.929 . 0 0 "[ . 1 . 2]" 1
973 1 42 CYS QB 1 50 GLY H . . 3.980 3.252 2.436 3.975 . 0 0 "[ . 1 . 2]" 1
974 1 42 CYS QB 1 64 ALA HA . . 5.340 4.079 3.729 4.687 . 0 0 "[ . 1 . 2]" 1
975 1 42 CYS QB 1 64 ALA MB . . 3.150 2.207 1.948 2.447 . 0 0 "[ . 1 . 2]" 1
976 1 43 LYS H 1 43 LYS QG . . 4.610 3.390 3.180 3.922 . 0 0 "[ . 1 . 2]" 1
977 1 43 LYS HA 1 43 LYS QG . . 3.710 2.284 2.132 2.469 . 0 0 "[ . 1 . 2]" 1
978 1 43 LYS QE 1 43 LYS QG . . 3.240 2.185 2.036 2.440 . 0 0 "[ . 1 . 2]" 1
979 1 43 LYS QG 1 44 ILE H . . 5.310 3.692 3.494 4.377 . 0 0 "[ . 1 . 2]" 1
980 1 43 LYS QG 1 48 MET HA . . 3.740 2.051 1.925 2.919 . 0 0 "[ . 1 . 2]" 1
981 1 43 LYS QG 1 48 MET QB . . 5.180 3.279 2.762 3.746 . 0 0 "[ . 1 . 2]" 1
982 1 43 LYS QG 1 49 TYR H . . 4.820 3.327 3.071 4.050 . 0 0 "[ . 1 . 2]" 1
983 1 43 LYS QD 1 48 MET QB . . 4.350 3.941 2.049 4.356 0.006 17 0 "[ . 1 . 2]" 1
984 1 44 ILE H 1 44 ILE QG . . 4.390 2.397 2.028 3.672 . 0 0 "[ . 1 . 2]" 1
985 1 44 ILE HA 1 44 ILE QG . . 3.710 2.833 2.315 3.036 . 0 0 "[ . 1 . 2]" 1
986 1 44 ILE MG 1 45 GLY QA . . 5.220 3.414 3.085 3.665 . 0 0 "[ . 1 . 2]" 1
987 1 44 ILE QG 1 49 TYR QB . . 4.480 2.623 2.244 4.156 . 0 0 "[ . 1 . 2]" 1
988 1 44 ILE QG 1 49 TYR QD . . 4.920 2.622 2.135 3.297 . 0 0 "[ . 1 . 2]" 1
989 1 44 ILE QG 1 68 ALA MB . . 3.950 3.426 3.100 3.892 . 0 0 "[ . 1 . 2]" 1
990 1 44 ILE QG 1 72 LEU MD2 . . 4.340 4.112 3.764 4.362 0.022 14 0 "[ . 1 . 2]" 1
991 1 44 ILE MD 1 49 TYR QB . . 4.630 3.495 2.849 3.809 . 0 0 "[ . 1 . 2]" 1
992 1 48 MET HA 1 48 MET QG . . 3.300 2.418 2.245 2.804 . 0 0 "[ . 1 . 2]" 1
993 1 48 MET QG 1 49 TYR H . . 4.720 2.971 2.708 3.734 . 0 0 "[ . 1 . 2]" 1
994 1 48 MET QG 1 50 GLY H . . 4.210 3.992 3.625 4.217 0.007 17 0 "[ . 1 . 2]" 1
995 1 48 MET QG 1 51 THR MG . . 5.200 4.971 4.361 5.209 0.009 12 0 "[ . 1 . 2]" 1
996 1 49 TYR H 1 49 TYR QB . . 3.640 2.354 2.277 2.440 . 0 0 "[ . 1 . 2]" 1
997 1 49 TYR HA 1 71 LYS QG . . 5.340 3.118 1.988 4.288 . 0 0 "[ . 1 . 2]" 1
998 1 49 TYR QB 1 50 GLY H . . 4.210 2.369 2.300 2.978 . 0 0 "[ . 1 . 2]" 1
999 1 49 TYR QB 1 68 ALA HA . . 3.420 2.096 1.988 2.299 . 0 0 "[ . 1 . 2]" 1
1000 1 49 TYR QB 1 71 LYS QB . . 4.860 3.130 2.705 3.562 . 0 0 "[ . 1 . 2]" 1
1001 1 49 TYR QD 1 71 LYS QG . . 4.700 3.265 2.276 4.269 . 0 0 "[ . 1 . 2]" 1
1002 1 49 TYR QE 1 71 LYS QG . . 5.170 4.135 2.768 5.175 0.005 2 0 "[ . 1 . 2]" 1
1003 1 49 TYR QE 1 72 LEU QB . . 5.340 4.062 3.518 4.808 . 0 0 "[ . 1 . 2]" 1
1004 1 51 THR HA 1 52 GLY QA . . 4.810 3.912 3.894 3.938 . 0 0 "[ . 1 . 2]" 1
1005 1 51 THR HB 1 52 GLY QA . . 5.340 4.845 4.584 5.261 . 0 0 "[ . 1 . 2]" 1
1006 1 51 THR MG 1 52 GLY QA . . 4.180 3.582 3.374 3.907 . 0 0 "[ . 1 . 2]" 1
1007 1 52 GLY QA 1 53 SER H . . 3.030 2.180 2.124 2.254 . 0 0 "[ . 1 . 2]" 1
1008 1 52 GLY QA 1 60 ALA HA . . 3.890 3.019 2.525 3.543 . 0 0 "[ . 1 . 2]" 1
1009 1 52 GLY QA 1 63 LEU HB2 . . 3.660 2.483 2.079 2.852 . 0 0 "[ . 1 . 2]" 1
1010 1 52 GLY QA 1 63 LEU HB3 . . 3.710 3.413 3.135 3.626 . 0 0 "[ . 1 . 2]" 1
1011 1 52 GLY QA 1 63 LEU MD1 . . 4.000 3.149 2.643 3.593 . 0 0 "[ . 1 . 2]" 1
1012 1 52 GLY QA 1 63 LEU MD2 . . 5.000 4.582 4.244 4.781 . 0 0 "[ . 1 . 2]" 1
1013 1 52 GLY QA 1 64 ALA H . . 3.600 2.326 1.880 2.556 . 0 0 "[ . 1 . 2]" 1
1014 1 52 GLY QA 1 64 ALA HA . . 3.520 2.851 2.450 3.171 . 0 0 "[ . 1 . 2]" 1
1015 1 52 GLY QA 1 64 ALA MB . . 3.490 2.570 2.038 3.069 . 0 0 "[ . 1 . 2]" 1
1016 1 54 GLY QA 1 55 VAL MG1 . . 4.540 3.559 3.343 3.755 . 0 0 "[ . 1 . 2]" 1
1017 1 54 GLY QA 1 55 VAL MG2 . . 3.840 3.616 3.449 3.785 . 0 0 "[ . 1 . 2]" 1
1018 1 54 GLY QA 1 56 THR H . . 4.200 3.195 2.982 3.498 . 0 0 "[ . 1 . 2]" 1
1019 1 54 GLY QA 1 59 GLU QB . . 3.170 2.482 1.983 2.982 . 0 0 "[ . 1 . 2]" 1
1020 1 54 GLY QA 1 59 GLU QG . . 3.560 2.563 1.914 3.201 . 0 0 "[ . 1 . 2]" 1
1021 1 54 GLY QA 1 60 ALA H . . 3.980 3.518 3.102 3.980 0.000 14 0 "[ . 1 . 2]" 1
1022 1 54 GLY QA 1 60 ALA HA . . 4.110 3.736 2.971 4.100 . 0 0 "[ . 1 . 2]" 1
1023 1 54 GLY QA 1 60 ALA MB . . 4.290 3.283 2.651 3.695 . 0 0 "[ . 1 . 2]" 1
1024 1 54 GLY QA 1 63 LEU MD1 . . 4.530 3.412 2.976 3.708 . 0 0 "[ . 1 . 2]" 1
1025 1 57 LYS H 1 57 LYS QB . . 3.550 2.245 2.118 2.447 . 0 0 "[ . 1 . 2]" 1
1026 1 57 LYS H 1 57 LYS QG . . 4.180 3.422 2.279 4.034 . 0 0 "[ . 1 . 2]" 1
1027 1 57 LYS HA 1 57 LYS QG . . 3.610 2.377 2.161 2.644 . 0 0 "[ . 1 . 2]" 1
1028 1 57 LYS QB 1 58 GLN H . . 4.140 2.235 2.055 2.515 . 0 0 "[ . 1 . 2]" 1
1029 1 57 LYS QE 1 57 LYS QG . . 3.210 2.221 2.013 2.633 . 0 0 "[ . 1 . 2]" 1
1030 1 57 LYS QE 1 61 LYS QD . . 4.050 3.733 2.967 4.055 0.005 17 0 "[ . 1 . 2]" 1
1031 1 58 GLN H 1 58 GLN QG . . 4.700 3.910 2.766 4.069 . 0 0 "[ . 1 . 2]" 1
1032 1 58 GLN HA 1 58 GLN QG . . 3.670 2.480 2.151 2.911 . 0 0 "[ . 1 . 2]" 1
1033 1 58 GLN QG 1 59 GLU H . . 4.150 3.532 2.980 4.164 0.014 10 0 "[ . 1 . 2]" 1
1034 1 58 GLN QG 1 62 GLN QE . . 4.640 4.266 3.756 4.650 0.010 10 0 "[ . 1 . 2]" 1
1035 1 61 LYS HA 1 61 LYS QG . . 3.710 2.350 2.150 2.590 . 0 0 "[ . 1 . 2]" 1
1036 1 63 LEU HA 1 66 LYS QB . . 3.200 2.578 2.348 2.849 . 0 0 "[ . 1 . 2]" 1
1037 1 63 LEU MD2 1 66 LYS QB . . 4.130 3.444 3.108 3.653 . 0 0 "[ . 1 . 2]" 1
1038 1 63 LEU MD2 1 66 LYS QD . . 3.320 2.864 1.959 3.235 . 0 0 "[ . 1 . 2]" 1
1039 1 66 LYS HA 1 66 LYS QG . . 3.470 2.353 2.213 2.611 . 0 0 "[ . 1 . 2]" 1
1040 1 66 LYS QB 1 66 LYS QD . . 2.890 2.119 2.057 2.233 . 0 0 "[ . 1 . 2]" 1
1041 1 66 LYS QB 1 67 GLU H . . 3.650 2.320 1.944 2.729 . 0 0 "[ . 1 . 2]" 1
1042 1 66 LYS QE 1 66 LYS QG . . 3.440 2.184 2.049 2.484 . 0 0 "[ . 1 . 2]" 1
1043 1 69 TYR HA 1 72 LEU QB . . 3.590 2.823 2.560 3.102 . 0 0 "[ . 1 . 2]" 1
1044 1 69 TYR QD 1 70 GLN QG . . 4.560 3.449 2.764 4.451 . 0 0 "[ . 1 . 2]" 1
1045 1 69 TYR QE 1 73 LEU QD . . 3.510 2.201 1.896 2.567 . 0 0 "[ . 1 . 2]" 1
1046 1 70 GLN H 1 70 GLN QB . . 3.170 2.457 2.243 2.630 . 0 0 "[ . 1 . 2]" 1
1047 1 70 GLN H 1 70 GLN QG . . 3.380 2.215 1.946 2.644 . 0 0 "[ . 1 . 2]" 1
1048 1 70 GLN HA 1 70 GLN QG . . 3.460 2.656 2.238 3.332 . 0 0 "[ . 1 . 2]" 1
1049 1 70 GLN HA 1 73 LEU QD . . 3.600 2.184 1.880 2.636 . 0 0 "[ . 1 . 2]" 1
1050 1 70 GLN QB 1 71 LYS H . . 3.410 2.495 2.037 3.400 . 0 0 "[ . 1 . 2]" 1
1051 1 70 GLN QB 1 71 LYS HA . . 4.280 3.845 3.735 4.245 . 0 0 "[ . 1 . 2]" 1
1052 1 71 LYS HA 1 71 LYS QG . . 3.280 2.574 2.209 2.947 . 0 0 "[ . 1 . 2]" 1
1053 1 71 LYS QE 1 71 LYS QG . . 3.340 2.209 2.036 2.645 . 0 0 "[ . 1 . 2]" 1
1054 1 72 LEU H 1 72 LEU QB . . 3.360 2.176 2.142 2.322 . 0 0 "[ . 1 . 2]" 1
1055 1 72 LEU QB 1 73 LEU H . . 3.670 2.571 2.369 2.964 . 0 0 "[ . 1 . 2]" 1
1056 1 72 LEU QB 1 73 LEU HA . . 4.690 3.787 3.701 3.913 . 0 0 "[ . 1 . 2]" 1
1057 1 72 LEU MD2 1 76 PRO QB . . 4.160 3.329 2.589 3.708 . 0 0 "[ . 1 . 2]" 1
1058 1 73 LEU H 1 73 LEU QD . . 3.740 2.891 2.356 3.188 . 0 0 "[ . 1 . 2]" 1
1059 1 73 LEU HA 1 73 LEU QD . . 3.090 2.177 1.967 2.517 . 0 0 "[ . 1 . 2]" 1
1060 1 73 LEU HB2 1 73 LEU QD . . 2.980 2.192 1.975 2.396 . 0 0 "[ . 1 . 2]" 1
1061 1 73 LEU QD 1 74 LYS H . . 4.500 4.085 3.842 4.220 . 0 0 "[ . 1 . 2]" 1
1062 1 74 LYS H 1 74 LYS QG . . 3.580 2.837 2.376 3.680 0.100 10 0 "[ . 1 . 2]" 1
1063 1 74 LYS HA 1 74 LYS QG . . 3.420 2.557 2.146 3.329 . 0 0 "[ . 1 . 2]" 1
1064 1 75 SER H 1 75 SER QB . . 3.650 2.619 2.342 3.025 . 0 0 "[ . 1 . 2]" 1
1065 1 76 PRO QB 1 77 PRO QD . . 3.740 1.986 1.925 2.354 . 0 0 "[ . 1 . 2]" 1
1066 1 76 PRO QG 1 77 PRO QD . . 4.090 3.785 3.740 4.061 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 18
_Distance_constraint_stats_list.Viol_count 354
_Distance_constraint_stats_list.Viol_total 873.314
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0691
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1213
_Distance_constraint_stats_list.Viol_average_violations_only 0.1233
_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 24 ASN 8.165 0.243 4 0 "[ . 1 . 2]"
1 26 GLU 10.779 0.247 7 0 "[ . 1 . 2]"
1 38 PHE 6.705 0.260 20 0 "[ . 1 . 2]"
1 40 CYS 6.602 0.221 9 0 "[ . 1 . 2]"
1 41 LYS 10.779 0.247 7 0 "[ . 1 . 2]"
1 42 CYS 5.201 0.259 14 0 "[ . 1 . 2]"
1 43 LYS 8.165 0.243 4 0 "[ . 1 . 2]"
1 44 ILE 6.214 0.231 14 0 "[ . 1 . 2]"
1 47 THR 6.214 0.231 14 0 "[ . 1 . 2]"
1 50 GLY 5.201 0.259 14 0 "[ . 1 . 2]"
1 52 GLY 6.602 0.221 9 0 "[ . 1 . 2]"
1 54 GLY 6.705 0.260 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 38 PHE O 1 54 GLY H . . 1.800 1.944 1.798 2.001 0.201 6 0 "[ . 1 . 2]" 2
2 1 38 PHE O 1 54 GLY N . . 2.700 2.891 2.735 2.960 0.260 20 0 "[ . 1 . 2]" 2
3 1 40 CYS O 1 52 GLY H . . 1.800 1.910 1.800 2.012 0.212 17 0 "[ . 1 . 2]" 2
4 1 40 CYS O 1 52 GLY N . . 2.700 2.735 2.686 2.821 0.121 1 0 "[ . 1 . 2]" 2
5 1 40 CYS H 1 52 GLY O . . 1.800 1.900 1.800 2.006 0.206 12 0 "[ . 1 . 2]" 2
6 1 40 CYS N 1 52 GLY O . . 2.700 2.785 2.702 2.921 0.221 9 0 "[ . 1 . 2]" 2
7 1 26 GLU O 1 41 LYS H . . 1.800 1.920 1.802 2.000 0.200 20 0 "[ . 1 . 2]" 2
8 1 26 GLU O 1 41 LYS N . . 2.700 2.804 2.685 2.947 0.247 7 0 "[ . 1 . 2]" 2
9 1 26 GLU H 1 41 LYS O . . 1.800 1.950 1.824 2.030 0.230 14 0 "[ . 1 . 2]" 2
10 1 26 GLU N 1 41 LYS O . . 2.700 2.864 2.756 2.941 0.241 10 0 "[ . 1 . 2]" 2
11 1 42 CYS H 1 50 GLY O . . 1.800 1.963 1.873 2.019 0.219 14 0 "[ . 1 . 2]" 2
12 1 42 CYS N 1 50 GLY O . . 2.700 2.798 2.707 2.959 0.259 14 0 "[ . 1 . 2]" 2
13 1 24 ASN O 1 43 LYS H . . 1.800 1.896 1.809 2.002 0.202 9 0 "[ . 1 . 2]" 2
14 1 24 ASN O 1 43 LYS N . . 2.700 2.825 2.709 2.943 0.243 4 0 "[ . 1 . 2]" 2
15 1 24 ASN H 1 43 LYS O . . 1.800 1.900 1.814 1.994 0.194 4 0 "[ . 1 . 2]" 2
16 1 24 ASN N 1 43 LYS O . . 2.700 2.788 2.708 2.904 0.204 4 0 "[ . 1 . 2]" 2
17 1 44 ILE H 1 47 THR O . . 1.800 1.988 1.937 2.031 0.231 14 0 "[ . 1 . 2]" 2
18 1 44 ILE N 1 47 THR O . . 2.700 2.823 2.737 2.906 0.206 9 0 "[ . 1 . 2]" 2
stop_
save_
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