NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
426238 |
2h3q   |
5960 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2h3q
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 816
_Distance_constraint_stats_list.Viol_count 782
_Distance_constraint_stats_list.Viol_total 420.525
_Distance_constraint_stats_list.Viol_max 1.871
_Distance_constraint_stats_list.Viol_rms 0.0416
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0269
_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 6 VAL 0.004 0.001 17 0 "[ . 1 . 2]"
1 7 LEU 0.085 0.022 18 0 "[ . 1 . 2]"
1 8 SER 6.934 1.753 6 2 "[ .+ 1 - . 2]"
1 9 GLY 0.412 0.051 17 0 "[ . 1 . 2]"
1 10 GLY 0.157 0.034 17 0 "[ . 1 . 2]"
1 11 GLU 11.599 1.753 6 2 "[ .+ 1 - . 2]"
1 12 LEU 0.330 0.051 17 0 "[ . 1 . 2]"
1 13 ASP 0.016 0.003 18 0 "[ . 1 . 2]"
1 14 LYS 0.004 0.001 1 0 "[ . 1 . 2]"
1 15 TRP 0.075 0.005 5 0 "[ . 1 . 2]"
1 16 GLU 0.052 0.011 5 0 "[ . 1 . 2]"
1 17 LYS 0.075 0.013 5 0 "[ . 1 . 2]"
1 18 ILE 0.028 0.006 6 0 "[ . 1 . 2]"
1 19 ARG 0.001 0.001 6 0 "[ . 1 . 2]"
1 20 LEU 0.026 0.010 2 0 "[ . 1 . 2]"
1 21 ARG 0.001 0.001 17 0 "[ . 1 . 2]"
1 22 PRO 0.011 0.005 2 0 "[ . 1 . 2]"
1 23 GLY 0.008 0.005 2 0 "[ . 1 . 2]"
1 24 GLY 0.001 0.001 20 0 "[ . 1 . 2]"
1 25 LYS 0.001 0.000 20 0 "[ . 1 . 2]"
1 26 LYS 0.012 0.010 2 0 "[ . 1 . 2]"
1 27 GLN 0.018 0.006 19 0 "[ . 1 . 2]"
1 28 TYR 0.132 0.013 5 0 "[ . 1 . 2]"
1 29 LYS 0.248 0.101 20 0 "[ . 1 . 2]"
1 30 LEU 0.141 0.033 20 0 "[ . 1 . 2]"
1 31 LYS 0.065 0.022 20 0 "[ . 1 . 2]"
1 32 HIS 0.282 0.101 20 0 "[ . 1 . 2]"
1 33 ILE 0.148 0.033 20 0 "[ . 1 . 2]"
1 34 VAL 0.066 0.007 20 0 "[ . 1 . 2]"
1 35 TRP 0.036 0.002 20 0 "[ . 1 . 2]"
1 36 ALA 0.010 0.003 20 0 "[ . 1 . 2]"
1 37 SER 0.005 0.001 10 0 "[ . 1 . 2]"
1 38 ARG 0.035 0.002 19 0 "[ . 1 . 2]"
1 39 GLU 0.019 0.003 15 0 "[ . 1 . 2]"
1 40 LEU 0.024 0.003 2 0 "[ . 1 . 2]"
1 41 GLU 0.072 0.004 14 0 "[ . 1 . 2]"
1 42 ARG 0.019 0.003 15 0 "[ . 1 . 2]"
1 43 PHE 0.024 0.003 2 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.324 0.013 10 0 "[ . 1 . 2]"
1 46 ASN 0.007 0.002 17 0 "[ . 1 . 2]"
1 47 PRO 0.063 0.004 14 0 "[ . 1 . 2]"
1 48 GLY 0.016 0.004 19 0 "[ . 1 . 2]"
1 49 LEU 0.170 0.013 10 0 "[ . 1 . 2]"
1 50 LEU 0.018 0.002 9 0 "[ . 1 . 2]"
1 51 GLU 0.250 0.020 19 0 "[ . 1 . 2]"
1 52 THR 0.355 0.020 19 0 "[ . 1 . 2]"
1 53 SER 0.004 0.001 1 0 "[ . 1 . 2]"
1 54 GLU 0.070 0.008 7 0 "[ . 1 . 2]"
1 55 GLY 0.015 0.004 6 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.001 0.001 13 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.007 0.002 18 0 "[ . 1 . 2]"
1 60 LEU 0.002 0.000 20 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.003 0.002 18 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLN 0.002 0.001 20 0 "[ . 1 . 2]"
1 65 PRO 0.001 0.001 17 0 "[ . 1 . 2]"
1 66 SER 0.001 0.001 6 0 "[ . 1 . 2]"
1 67 LEU 0.001 0.000 7 0 "[ . 1 . 2]"
1 68 GLN 0.004 0.001 18 0 "[ . 1 . 2]"
1 69 THR 0.002 0.001 18 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 18 0 "[ . 1 . 2]"
1 71 SER 0.002 0.001 18 0 "[ . 1 . 2]"
1 72 GLU 0.011 0.008 18 0 "[ . 1 . 2]"
1 73 GLU 0.001 0.001 13 0 "[ . 1 . 2]"
1 74 LEU 0.006 0.006 18 0 "[ . 1 . 2]"
1 75 ARG 0.018 0.008 18 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.049 0.006 18 0 "[ . 1 . 2]"
1 78 TYR 0.046 0.006 18 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.005 0.001 11 0 "[ . 1 . 2]"
1 81 ILE 0.005 0.002 18 0 "[ . 1 . 2]"
1 82 ALA 0.001 0.000 19 0 "[ . 1 . 2]"
1 83 VAL 0.014 0.002 19 0 "[ . 1 . 2]"
1 84 LEU 0.005 0.002 19 0 "[ . 1 . 2]"
1 85 TYR 0.003 0.001 18 0 "[ . 1 . 2]"
1 86 CYS 0.002 0.001 2 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 HIS 4.677 1.320 6 2 "[ .+ 1 - . 2]"
1 89 GLN 0.001 0.001 18 0 "[ . 1 . 2]"
1 90 ARG 0.005 0.001 1 0 "[ . 1 . 2]"
1 91 ILE 0.004 0.001 1 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.001 0.001 2 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 6.577 1.871 7 2 "[ . + 1 . -]"
1 96 THR 0.004 0.002 19 0 "[ . 1 . 2]"
1 97 LYS 0.001 0.001 19 0 "[ . 1 . 2]"
1 98 GLU 6.575 1.871 7 2 "[ . + 1 . -]"
1 99 ALA 0.000 0.000 6 0 "[ . 1 . 2]"
1 100 LEU 0.030 0.015 12 0 "[ . 1 . 2]"
1 101 ASP 0.030 0.009 17 0 "[ . 1 . 2]"
1 102 LYS 0.002 0.001 17 0 "[ . 1 . 2]"
1 103 ILE 0.029 0.015 12 0 "[ . 1 . 2]"
1 104 GLU 0.031 0.009 17 0 "[ . 1 . 2]"
1 105 GLU 0.002 0.001 17 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLN 0.061 0.033 19 0 "[ . 1 . 2]"
1 116 GLN 0.470 0.236 19 0 "[ . 1 . 2]"
1 117 ALA 0.025 0.025 12 0 "[ . 1 . 2]"
1 118 ALA 0.061 0.033 19 0 "[ . 1 . 2]"
1 119 ALA 0.470 0.236 19 0 "[ . 1 . 2]"
1 120 ASP 0.025 0.025 12 0 "[ . 1 . 2]"
1 121 THR 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 9 GLY H 1 10 GLY H . . 2.900 2.880 2.817 2.917 0.017 18 0 "[ . 1 . 2]" 1
2 1 10 GLY H 1 11 GLU H . . 2.900 2.721 2.638 2.790 . 0 0 "[ . 1 . 2]" 1
3 1 11 GLU H 1 12 LEU H . . 2.900 2.626 2.494 2.714 . 0 0 "[ . 1 . 2]" 1
4 1 12 LEU H 1 13 ASP H . . 2.900 2.725 2.641 2.803 . 0 0 "[ . 1 . 2]" 1
5 1 13 ASP H 1 14 LYS H . . 2.900 2.881 2.787 2.901 0.001 1 0 "[ . 1 . 2]" 1
6 1 14 LYS H 1 15 TRP H . . 2.900 2.642 2.506 2.721 . 0 0 "[ . 1 . 2]" 1
7 1 15 TRP H 1 16 GLU H . . 2.900 2.864 2.761 2.903 0.003 2 0 "[ . 1 . 2]" 1
8 1 16 GLU H 1 17 LYS H . . 2.900 2.626 2.477 2.697 . 0 0 "[ . 1 . 2]" 1
9 1 17 LYS H 1 18 ILE H . . 2.900 2.585 2.321 2.906 0.006 6 0 "[ . 1 . 2]" 1
10 1 9 GLY H 1 11 GLU H . . 5.000 4.303 4.037 4.495 . 0 0 "[ . 1 . 2]" 1
11 1 10 GLY H 1 12 LEU H . . 5.000 4.066 3.951 4.189 . 0 0 "[ . 1 . 2]" 1
12 1 11 GLU H 1 13 ASP H . . 5.000 4.334 4.123 4.531 . 0 0 "[ . 1 . 2]" 1
13 1 12 LEU H 1 14 LYS H . . 5.000 4.456 4.187 4.717 . 0 0 "[ . 1 . 2]" 1
14 1 13 ASP H 1 15 TRP H . . 5.000 4.075 3.889 4.209 . 0 0 "[ . 1 . 2]" 1
15 1 14 LYS H 1 16 GLU H . . 5.000 4.421 4.227 4.600 . 0 0 "[ . 1 . 2]" 1
16 1 12 LEU H 1 15 TRP H . . 5.000 4.636 4.554 4.737 . 0 0 "[ . 1 . 2]" 1
17 1 13 ASP H 1 16 GLU H . . 5.000 4.893 4.813 4.999 . 0 0 "[ . 1 . 2]" 1
18 1 8 SER HA 1 9 GLY H . . 2.700 2.668 2.590 2.700 0.000 5 0 "[ . 1 . 2]" 1
19 1 9 GLY HA3 1 10 GLY H . . 2.700 2.701 2.675 2.734 0.034 17 0 "[ . 1 . 2]" 1
20 1 11 GLU HA 1 13 ASP H . . 5.000 4.426 4.127 4.686 . 0 0 "[ . 1 . 2]" 1
21 1 12 LEU HA 1 14 LYS H . . 5.000 4.713 4.417 4.930 . 0 0 "[ . 1 . 2]" 1
22 1 13 ASP HA 1 15 TRP H . . 5.000 4.547 4.388 4.685 . 0 0 "[ . 1 . 2]" 1
23 1 14 LYS HA 1 16 GLU H . . 5.000 4.536 4.152 4.792 . 0 0 "[ . 1 . 2]" 1
24 1 15 TRP HA 1 17 LYS H . . 5.000 3.959 3.787 4.018 . 0 0 "[ . 1 . 2]" 1
25 1 16 GLU HA 1 18 ILE H . . 5.000 4.515 3.479 4.751 . 0 0 "[ . 1 . 2]" 1
26 1 9 GLY HA2 1 12 LEU H . . 5.000 3.722 3.597 3.792 . 0 0 "[ . 1 . 2]" 1
27 1 10 GLY HA2 1 13 ASP H . . 5.000 3.649 3.525 3.810 . 0 0 "[ . 1 . 2]" 1
28 1 11 GLU HA 1 14 LYS H . . 5.000 3.656 3.587 3.736 . 0 0 "[ . 1 . 2]" 1
29 1 12 LEU HA 1 15 TRP H . . 5.000 3.504 3.360 3.612 . 0 0 "[ . 1 . 2]" 1
30 1 13 ASP HA 1 16 GLU H . . 5.000 3.897 3.688 4.041 . 0 0 "[ . 1 . 2]" 1
31 1 14 LYS HA 1 17 LYS H . . 5.000 3.356 3.218 3.473 . 0 0 "[ . 1 . 2]" 1
32 1 15 TRP HA 1 18 ILE H . . 5.000 3.632 3.426 4.575 . 0 0 "[ . 1 . 2]" 1
33 1 8 SER HA 1 12 LEU H . . 5.000 4.837 4.764 4.914 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLY HA2 1 13 ASP H . . 5.000 4.442 4.239 4.646 . 0 0 "[ . 1 . 2]" 1
35 1 11 GLU HA 1 15 TRP H . . 5.000 3.954 3.865 4.041 . 0 0 "[ . 1 . 2]" 1
36 1 12 LEU HA 1 16 GLU H . . 5.000 3.936 3.686 4.336 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLY HA2 1 12 LEU HB2 . . 3.300 3.283 3.201 3.302 0.002 10 0 "[ . 1 . 2]" 1
38 1 9 GLY HA2 1 12 LEU HB3 . . 3.300 3.174 3.109 3.225 . 0 0 "[ . 1 . 2]" 1
39 1 10 GLY HA2 1 13 ASP QB . . 3.300 3.066 2.824 3.300 . 0 0 "[ . 1 . 2]" 1
40 1 11 GLU HA 1 14 LYS QB . . 3.300 3.054 2.802 3.289 . 0 0 "[ . 1 . 2]" 1
41 1 12 LEU HA 1 15 TRP HB2 . . 3.300 3.257 3.148 3.302 0.002 19 0 "[ . 1 . 2]" 1
42 1 12 LEU HA 1 15 TRP HB3 . . 2.700 2.372 2.226 2.620 . 0 0 "[ . 1 . 2]" 1
43 1 13 ASP HA 1 16 GLU QB . . 3.300 3.279 3.180 3.303 0.003 18 0 "[ . 1 . 2]" 1
44 1 18 ILE HA 1 19 ARG H . . 2.700 2.188 2.146 2.228 . 0 0 "[ . 1 . 2]" 1
45 1 19 ARG HA 1 20 LEU H . . 2.700 2.269 2.167 2.368 . 0 0 "[ . 1 . 2]" 1
46 1 20 LEU H 1 21 ARG H . . 2.700 2.668 2.485 2.701 0.001 17 0 "[ . 1 . 2]" 1
47 1 21 ARG HA 1 22 PRO HD2 . . 2.900 2.497 2.494 2.502 . 0 0 "[ . 1 . 2]" 1
48 1 21 ARG HA 1 22 PRO HD3 . . 2.900 2.341 2.340 2.343 . 0 0 "[ . 1 . 2]" 1
49 1 23 GLY H 1 24 GLY H . . 3.300 2.943 2.529 3.301 0.001 20 0 "[ . 1 . 2]" 1
50 1 24 GLY HA2 1 25 LYS H . . 2.700 2.599 2.477 2.700 0.000 19 0 "[ . 1 . 2]" 1
51 1 24 GLY HA3 1 25 LYS H . . 2.700 2.528 2.431 2.650 . 0 0 "[ . 1 . 2]" 1
52 1 25 LYS H 1 26 LYS H . . 2.700 2.276 1.895 2.700 0.000 20 0 "[ . 1 . 2]" 1
53 1 26 LYS HA 1 27 GLN H . . 2.700 2.214 2.151 2.360 . 0 0 "[ . 1 . 2]" 1
54 1 27 GLN HA 1 28 TYR H . . 2.700 2.537 2.450 2.677 . 0 0 "[ . 1 . 2]" 1
55 1 28 TYR HA 1 29 LYS H . . 2.700 2.259 2.139 2.274 . 0 0 "[ . 1 . 2]" 1
56 1 16 GLU HA 1 28 TYR HA . . 5.000 4.981 4.909 5.011 0.011 5 0 "[ . 1 . 2]" 1
57 1 16 GLU HA 1 29 LYS HA . . 5.000 3.705 3.459 3.996 . 0 0 "[ . 1 . 2]" 1
58 1 19 ARG HA 1 27 GLN HA . . 2.700 2.027 1.997 2.212 . 0 0 "[ . 1 . 2]" 1
59 1 16 GLU HA 1 28 TYR H . . 5.000 3.677 3.257 3.930 . 0 0 "[ . 1 . 2]" 1
60 1 17 LYS HA 1 28 TYR H . . 5.000 5.003 5.001 5.013 0.013 5 0 "[ . 1 . 2]" 1
61 1 19 ARG HA 1 28 TYR H . . 5.000 3.227 2.891 4.147 . 0 0 "[ . 1 . 2]" 1
62 1 20 LEU H 1 27 GLN HA . . 3.300 3.290 3.101 3.302 0.002 20 0 "[ . 1 . 2]" 1
63 1 21 ARG H 1 24 GLY HA3 . . 5.000 4.045 3.785 4.336 . 0 0 "[ . 1 . 2]" 1
64 1 22 PRO HA 1 24 GLY H . . 5.000 4.277 3.968 4.749 . 0 0 "[ . 1 . 2]" 1
65 1 18 ILE H 1 28 TYR H . . 5.000 4.324 2.833 4.664 . 0 0 "[ . 1 . 2]" 1
66 1 19 ARG H 1 96 THR H . . 5.000 4.610 4.178 4.993 . 0 0 "[ . 1 . 2]" 1
67 1 20 LEU H 1 26 LYS H . . 5.000 4.671 3.580 5.010 0.010 2 0 "[ . 1 . 2]" 1
68 1 21 ARG H 1 24 GLY H . . 5.000 4.380 3.992 4.754 . 0 0 "[ . 1 . 2]" 1
69 1 30 LEU H 1 31 LYS H . . 2.900 2.752 2.587 2.768 . 0 0 "[ . 1 . 2]" 1
70 1 31 LYS H 1 32 HIS H . . 2.900 2.801 2.788 2.922 0.022 20 0 "[ . 1 . 2]" 1
71 1 32 HIS H 1 33 ILE H . . 2.900 2.581 2.544 2.744 . 0 0 "[ . 1 . 2]" 1
72 1 33 ILE H 1 34 VAL H . . 2.900 2.607 2.576 2.649 . 0 0 "[ . 1 . 2]" 1
73 1 34 VAL H 1 35 TRP H . . 2.900 2.419 2.389 2.451 . 0 0 "[ . 1 . 2]" 1
74 1 35 TRP H 1 36 ALA H . . 2.900 2.731 2.702 2.754 . 0 0 "[ . 1 . 2]" 1
75 1 36 ALA H 1 37 SER H . . 2.900 2.461 2.360 2.601 . 0 0 "[ . 1 . 2]" 1
76 1 37 SER H 1 38 ARG H . . 2.900 2.716 2.566 2.828 . 0 0 "[ . 1 . 2]" 1
77 1 38 ARG H 1 39 GLU H . . 2.900 2.545 2.380 2.737 . 0 0 "[ . 1 . 2]" 1
78 1 39 GLU H 1 40 LEU H . . 2.900 2.382 2.286 2.626 . 0 0 "[ . 1 . 2]" 1
79 1 40 LEU H 1 41 GLU H . . 2.900 2.711 2.619 2.860 . 0 0 "[ . 1 . 2]" 1
80 1 41 GLU H 1 42 ARG H . . 2.900 2.711 2.704 2.731 . 0 0 "[ . 1 . 2]" 1
81 1 42 ARG H 1 43 PHE H . . 2.900 2.499 2.457 2.586 . 0 0 "[ . 1 . 2]" 1
82 1 43 PHE H 1 44 ALA H . . 2.900 2.792 2.750 2.814 . 0 0 "[ . 1 . 2]" 1
83 1 30 LEU H 1 32 HIS H . . 5.000 4.458 4.330 4.682 . 0 0 "[ . 1 . 2]" 1
84 1 31 LYS H 1 33 ILE H . . 5.000 4.221 4.157 4.262 . 0 0 "[ . 1 . 2]" 1
85 1 32 HIS H 1 34 VAL H . . 5.000 4.129 4.094 4.280 . 0 0 "[ . 1 . 2]" 1
86 1 33 ILE H 1 35 TRP H . . 5.000 4.020 3.996 4.064 . 0 0 "[ . 1 . 2]" 1
87 1 34 VAL H 1 36 ALA H . . 5.000 4.037 3.981 4.090 . 0 0 "[ . 1 . 2]" 1
88 1 35 TRP H 1 37 SER H . . 5.000 4.190 3.992 4.381 . 0 0 "[ . 1 . 2]" 1
89 1 36 ALA H 1 38 ARG H . . 5.000 4.090 3.957 4.257 . 0 0 "[ . 1 . 2]" 1
90 1 37 SER H 1 39 GLU H . . 5.000 4.046 3.829 4.400 . 0 0 "[ . 1 . 2]" 1
91 1 38 ARG H 1 40 LEU H . . 5.000 3.947 3.815 4.178 . 0 0 "[ . 1 . 2]" 1
92 1 39 GLU H 1 41 GLU H . . 5.000 4.334 4.190 4.628 . 0 0 "[ . 1 . 2]" 1
93 1 40 LEU H 1 42 ARG H . . 5.000 3.891 3.819 4.019 . 0 0 "[ . 1 . 2]" 1
94 1 41 GLU H 1 43 PHE H . . 5.000 4.214 4.190 4.281 . 0 0 "[ . 1 . 2]" 1
95 1 42 ARG H 1 44 ALA H . . 5.000 4.273 4.209 4.310 . 0 0 "[ . 1 . 2]" 1
96 1 43 PHE H 1 45 VAL H . . 5.000 3.110 3.095 3.126 . 0 0 "[ . 1 . 2]" 1
97 1 29 LYS H 1 32 HIS H . . 5.000 3.404 3.382 3.490 . 0 0 "[ . 1 . 2]" 1
98 1 30 LEU H 1 33 ILE H . . 5.000 5.006 5.000 5.033 0.033 20 0 "[ . 1 . 2]" 1
99 1 31 LYS H 1 34 VAL H . . 5.000 4.952 4.933 4.999 . 0 0 "[ . 1 . 2]" 1
100 1 34 VAL H 1 37 SER H . . 5.000 4.773 4.648 4.908 . 0 0 "[ . 1 . 2]" 1
101 1 35 TRP H 1 38 ARG H . . 5.000 5.001 4.999 5.002 0.002 19 0 "[ . 1 . 2]" 1
102 1 36 ALA H 1 39 GLU H . . 5.000 4.800 4.689 4.961 . 0 0 "[ . 1 . 2]" 1
103 1 37 SER H 1 40 LEU H . . 5.000 4.654 4.472 4.762 . 0 0 "[ . 1 . 2]" 1
104 1 39 GLU H 1 42 ARG H . . 5.000 5.000 4.981 5.003 0.003 15 0 "[ . 1 . 2]" 1
105 1 40 LEU H 1 43 PHE H . . 5.000 5.000 4.983 5.003 0.003 2 0 "[ . 1 . 2]" 1
106 1 29 LYS HA 1 30 LEU H . . 2.700 2.436 2.407 2.688 . 0 0 "[ . 1 . 2]" 1
107 1 42 ARG HA 1 44 ALA H . . 5.000 3.576 3.562 3.611 . 0 0 "[ . 1 . 2]" 1
108 1 30 LEU HA 1 33 ILE H . . 5.000 3.022 2.984 3.166 . 0 0 "[ . 1 . 2]" 1
109 1 31 LYS HA 1 34 VAL H . . 5.000 3.788 3.687 3.815 . 0 0 "[ . 1 . 2]" 1
110 1 32 HIS HA 1 35 TRP H . . 5.000 3.348 3.279 3.390 . 0 0 "[ . 1 . 2]" 1
111 1 33 ILE HA 1 36 ALA H . . 5.000 3.922 3.878 3.975 . 0 0 "[ . 1 . 2]" 1
112 1 34 VAL HA 1 37 SER H . . 5.000 3.170 3.068 3.290 . 0 0 "[ . 1 . 2]" 1
113 1 35 TRP HA 1 38 ARG H . . 5.000 3.835 3.709 3.958 . 0 0 "[ . 1 . 2]" 1
114 1 36 ALA HA 1 39 GLU H . . 5.000 3.307 3.187 3.458 . 0 0 "[ . 1 . 2]" 1
115 1 37 SER HA 1 40 LEU H . . 5.000 3.398 3.265 3.540 . 0 0 "[ . 1 . 2]" 1
116 1 38 ARG HA 1 41 GLU H . . 5.000 3.863 3.786 3.921 . 0 0 "[ . 1 . 2]" 1
117 1 39 GLU HA 1 42 ARG H . . 5.000 3.537 3.415 3.601 . 0 0 "[ . 1 . 2]" 1
118 1 40 LEU HA 1 43 PHE H . . 5.000 3.372 3.299 3.486 . 0 0 "[ . 1 . 2]" 1
119 1 41 GLU HA 1 44 ALA H . . 5.000 4.031 3.923 4.101 . 0 0 "[ . 1 . 2]" 1
120 1 31 LYS HA 1 35 TRP H . . 5.000 4.029 3.932 4.170 . 0 0 "[ . 1 . 2]" 1
121 1 32 HIS HA 1 36 ALA H . . 5.000 4.178 4.096 4.311 . 0 0 "[ . 1 . 2]" 1
122 1 30 LEU HA 1 33 ILE HB . . 3.300 2.871 2.796 2.937 . 0 0 "[ . 1 . 2]" 1
123 1 31 LYS HA 1 34 VAL HB . . 3.300 3.302 3.297 3.307 0.007 20 0 "[ . 1 . 2]" 1
124 1 32 HIS HA 1 35 TRP QB . . 3.300 2.305 2.197 2.359 . 0 0 "[ . 1 . 2]" 1
125 1 33 ILE HA 1 36 ALA MB . . 3.300 3.293 3.235 3.303 0.003 20 0 "[ . 1 . 2]" 1
126 1 34 VAL HA 1 37 SER QB . . 3.300 2.391 2.139 2.579 . 0 0 "[ . 1 . 2]" 1
127 1 35 TRP HA 1 38 ARG QB . . 3.300 3.220 3.128 3.300 0.000 17 0 "[ . 1 . 2]" 1
128 1 36 ALA HA 1 39 GLU HB2 . . 3.300 3.073 2.810 3.298 . 0 0 "[ . 1 . 2]" 1
129 1 36 ALA HA 1 39 GLU HB3 . . 3.300 3.120 2.760 3.299 . 0 0 "[ . 1 . 2]" 1
130 1 37 SER HA 1 40 LEU QB . . 3.300 2.483 2.370 2.787 . 0 0 "[ . 1 . 2]" 1
131 1 38 ARG HA 1 41 GLU QB . . 3.300 3.301 3.300 3.302 0.002 19 0 "[ . 1 . 2]" 1
132 1 39 GLU HA 1 42 ARG QB . . 3.300 2.712 2.547 3.018 . 0 0 "[ . 1 . 2]" 1
133 1 40 LEU HA 1 43 PHE HB2 . . 5.000 3.108 2.921 3.469 . 0 0 "[ . 1 . 2]" 1
134 1 44 ALA HA 1 45 VAL H . . 3.300 3.028 3.003 3.042 . 0 0 "[ . 1 . 2]" 1
135 1 45 VAL HA 1 46 ASN H . . 2.700 2.150 2.141 2.215 . 0 0 "[ . 1 . 2]" 1
136 1 46 ASN HA 1 47 PRO HD3 . . 2.700 2.258 2.256 2.261 . 0 0 "[ . 1 . 2]" 1
137 1 46 ASN HA 1 47 PRO HD2 . . 2.700 2.250 2.232 2.264 . 0 0 "[ . 1 . 2]" 1
138 1 48 GLY H 1 49 LEU H . . 2.700 2.658 2.607 2.704 0.004 19 0 "[ . 1 . 2]" 1
139 1 49 LEU H 1 50 LEU H . . 2.700 2.447 2.152 2.701 0.001 4 0 "[ . 1 . 2]" 1
140 1 50 LEU H 1 51 GLU H . . 2.700 2.448 1.899 2.624 . 0 0 "[ . 1 . 2]" 1
141 1 51 GLU H 1 52 THR H . . 2.700 2.577 1.899 2.713 0.013 13 0 "[ . 1 . 2]" 1
142 1 48 GLY H 1 50 LEU H . . 5.000 4.434 4.262 4.808 . 0 0 "[ . 1 . 2]" 1
143 1 49 LEU H 1 51 GLU H . . 5.000 4.103 3.789 4.783 . 0 0 "[ . 1 . 2]" 1
144 1 50 LEU H 1 52 THR H . . 5.000 4.069 3.468 4.297 . 0 0 "[ . 1 . 2]" 1
145 1 51 GLU HA 1 52 THR H . . 3.300 3.173 2.983 3.320 0.020 19 0 "[ . 1 . 2]" 1
146 1 47 PRO HA 1 49 LEU H . . 5.000 3.487 3.305 3.814 . 0 0 "[ . 1 . 2]" 1
147 1 49 LEU HA 1 52 THR H . . 5.000 3.844 3.645 4.273 . 0 0 "[ . 1 . 2]" 1
148 1 47 PRO HA 1 50 LEU QB . . 5.000 4.246 3.775 5.002 0.002 9 0 "[ . 1 . 2]" 1
149 1 53 SER H 1 54 GLU H . . 2.900 2.699 2.663 2.738 . 0 0 "[ . 1 . 2]" 1
150 1 54 GLU H 1 55 GLY H . . 2.900 2.511 2.430 2.640 . 0 0 "[ . 1 . 2]" 1
151 1 55 GLY H 1 56 CYS H . . 2.900 2.826 2.705 2.899 . 0 0 "[ . 1 . 2]" 1
152 1 56 CYS H 1 57 ARG H . . 2.900 2.799 2.568 2.876 . 0 0 "[ . 1 . 2]" 1
153 1 57 ARG H 1 58 GLN H . . 2.900 2.735 2.522 2.863 . 0 0 "[ . 1 . 2]" 1
154 1 58 GLN H 1 59 ILE H . . 2.900 2.635 2.500 2.737 . 0 0 "[ . 1 . 2]" 1
155 1 59 ILE H 1 60 LEU H . . 2.900 2.671 2.502 2.843 . 0 0 "[ . 1 . 2]" 1
156 1 60 LEU H 1 61 GLY H . . 2.900 2.577 2.438 2.732 . 0 0 "[ . 1 . 2]" 1
157 1 61 GLY H 1 62 GLN H . . 2.900 2.620 2.566 2.740 . 0 0 "[ . 1 . 2]" 1
158 1 62 GLN H 1 63 LEU H . . 2.900 2.283 2.059 2.422 . 0 0 "[ . 1 . 2]" 1
159 1 63 LEU H 1 64 GLN H . . 2.900 2.394 2.258 2.474 . 0 0 "[ . 1 . 2]" 1
160 1 52 THR H 1 54 GLU H . . 5.000 5.003 4.995 5.008 0.008 7 0 "[ . 1 . 2]" 1
161 1 53 SER H 1 55 GLY H . . 5.000 4.470 4.373 4.562 . 0 0 "[ . 1 . 2]" 1
162 1 54 GLU H 1 56 CYS H . . 5.000 4.085 3.545 4.312 . 0 0 "[ . 1 . 2]" 1
163 1 55 GLY H 1 57 ARG H . . 5.000 4.342 4.053 4.578 . 0 0 "[ . 1 . 2]" 1
164 1 56 CYS H 1 58 GLN H . . 5.000 4.264 4.034 4.446 . 0 0 "[ . 1 . 2]" 1
165 1 57 ARG H 1 59 ILE H . . 5.000 4.173 3.989 4.327 . 0 0 "[ . 1 . 2]" 1
166 1 58 GLN H 1 60 LEU H . . 5.000 4.249 4.012 4.662 . 0 0 "[ . 1 . 2]" 1
167 1 59 ILE H 1 61 GLY H . . 5.000 3.887 3.663 4.131 . 0 0 "[ . 1 . 2]" 1
168 1 60 LEU H 1 62 GLN H . . 5.000 4.235 4.111 4.435 . 0 0 "[ . 1 . 2]" 1
169 1 61 GLY H 1 63 LEU H . . 5.000 4.095 3.926 4.280 . 0 0 "[ . 1 . 2]" 1
170 1 62 GLN H 1 64 GLN H . . 5.000 3.638 3.481 3.894 . 0 0 "[ . 1 . 2]" 1
171 1 52 THR H 1 55 GLY H . . 5.000 4.318 3.984 4.899 . 0 0 "[ . 1 . 2]" 1
172 1 52 THR H 1 56 CYS H . . 5.000 4.046 3.673 4.451 . 0 0 "[ . 1 . 2]" 1
173 1 52 THR HA 1 53 SER H . . 2.700 2.155 2.140 2.204 . 0 0 "[ . 1 . 2]" 1
174 1 53 SER HA 1 56 CYS H . . 5.000 3.910 3.709 4.059 . 0 0 "[ . 1 . 2]" 1
175 1 54 GLU HA 1 57 ARG H . . 5.000 3.675 3.589 3.813 . 0 0 "[ . 1 . 2]" 1
176 1 55 GLY HA2 1 58 GLN H . . 5.000 3.488 3.269 3.651 . 0 0 "[ . 1 . 2]" 1
177 1 56 CYS HA 1 59 ILE H . . 5.000 3.453 3.228 3.769 . 0 0 "[ . 1 . 2]" 1
178 1 57 ARG HA 1 60 LEU H . . 5.000 3.597 3.370 3.796 . 0 0 "[ . 1 . 2]" 1
179 1 58 GLN HA 1 61 GLY H . . 5.000 3.491 3.193 3.766 . 0 0 "[ . 1 . 2]" 1
180 1 59 ILE HA 1 62 GLN H . . 5.000 3.675 3.514 3.779 . 0 0 "[ . 1 . 2]" 1
181 1 60 LEU HA 1 63 LEU H . . 5.000 3.215 3.042 3.352 . 0 0 "[ . 1 . 2]" 1
182 1 61 GLY QA 1 64 GLN H . . 5.000 3.629 3.490 3.825 . 0 0 "[ . 1 . 2]" 1
183 1 57 ARG HA 1 61 GLY H . . 5.000 4.381 4.119 4.810 . 0 0 "[ . 1 . 2]" 1
184 1 54 GLU HA 1 57 ARG QB . . 3.300 3.020 2.629 3.301 0.001 13 0 "[ . 1 . 2]" 1
185 1 55 GLY HA2 1 58 GLN QB . . 3.300 2.862 2.498 3.208 . 0 0 "[ . 1 . 2]" 1
186 1 56 CYS HA 1 59 ILE HB . . 5.000 2.918 2.577 3.455 . 0 0 "[ . 1 . 2]" 1
187 1 57 ARG HA 1 60 LEU HB3 . . 5.000 4.634 4.401 4.969 . 0 0 "[ . 1 . 2]" 1
188 1 59 ILE HA 1 62 GLN QB . . 3.300 3.292 3.220 3.302 0.002 18 0 "[ . 1 . 2]" 1
189 1 60 LEU HA 1 63 LEU HB3 . . 5.000 4.335 3.659 4.708 . 0 0 "[ . 1 . 2]" 1
190 1 61 GLY QA 1 64 GLN HB2 . . 5.000 2.730 2.533 3.040 . 0 0 "[ . 1 . 2]" 1
191 1 66 SER H 1 67 LEU H . . 2.900 2.611 2.338 2.801 . 0 0 "[ . 1 . 2]" 1
192 1 67 LEU H 1 68 GLN H . . 2.900 2.496 2.306 2.767 . 0 0 "[ . 1 . 2]" 1
193 1 68 GLN H 1 69 THR H . . 2.900 2.582 2.254 2.901 0.001 1 0 "[ . 1 . 2]" 1
194 1 69 THR H 1 70 GLY H . . 2.900 2.696 2.423 2.871 . 0 0 "[ . 1 . 2]" 1
195 1 66 SER H 1 68 GLN H . . 5.000 4.694 4.134 5.001 0.001 6 0 "[ . 1 . 2]" 1
196 1 67 LEU H 1 69 THR H . . 5.000 4.185 3.814 4.694 . 0 0 "[ . 1 . 2]" 1
197 1 68 GLN H 1 70 GLY H . . 5.000 3.948 3.463 4.274 . 0 0 "[ . 1 . 2]" 1
198 1 70 GLY HA2 1 71 SER H . . 2.700 2.325 2.139 2.589 . 0 0 "[ . 1 . 2]" 1
199 1 70 GLY HA3 1 71 SER H . . 3.300 2.867 2.536 3.288 . 0 0 "[ . 1 . 2]" 1
200 1 64 GLN HA 1 66 SER H . . 5.000 4.119 4.105 4.175 . 0 0 "[ . 1 . 2]" 1
201 1 65 PRO HA 1 67 LEU H . . 5.000 3.773 3.546 4.136 . 0 0 "[ . 1 . 2]" 1
202 1 66 SER HA 1 68 GLN H . . 5.000 3.728 3.561 4.066 . 0 0 "[ . 1 . 2]" 1
203 1 67 LEU HA 1 69 THR H . . 5.000 4.648 4.295 4.975 . 0 0 "[ . 1 . 2]" 1
204 1 68 GLN HA 1 70 GLY H . . 5.000 4.155 3.697 5.000 0.000 18 0 "[ . 1 . 2]" 1
205 1 63 LEU HA 1 66 SER H . . 5.000 3.225 3.220 3.247 . 0 0 "[ . 1 . 2]" 1
206 1 64 GLN HA 1 67 LEU H . . 5.000 4.233 3.777 4.576 . 0 0 "[ . 1 . 2]" 1
207 1 65 PRO HA 1 68 GLN H . . 5.000 4.665 3.967 5.001 0.001 17 0 "[ . 1 . 2]" 1
208 1 66 SER HA 1 69 THR H . . 5.000 3.331 2.882 3.749 . 0 0 "[ . 1 . 2]" 1
209 1 67 LEU HA 1 70 GLY H . . 5.000 3.765 3.213 4.289 . 0 0 "[ . 1 . 2]" 1
210 1 72 GLU H 1 73 GLU H . . 2.900 2.730 2.563 2.820 . 0 0 "[ . 1 . 2]" 1
211 1 73 GLU H 1 74 LEU H . . 2.900 2.595 1.898 2.773 . 0 0 "[ . 1 . 2]" 1
212 1 74 LEU H 1 75 ARG H . . 2.900 2.569 2.073 2.755 . 0 0 "[ . 1 . 2]" 1
213 1 75 ARG H 1 76 SER H . . 2.900 2.851 2.693 2.900 . 0 0 "[ . 1 . 2]" 1
214 1 76 SER H 1 77 LEU H . . 2.900 2.816 2.654 2.899 . 0 0 "[ . 1 . 2]" 1
215 1 77 LEU H 1 78 TYR H . . 2.900 2.890 2.836 2.902 0.002 20 0 "[ . 1 . 2]" 1
216 1 78 TYR H 1 79 ASN H . . 2.900 2.757 2.735 2.762 . 0 0 "[ . 1 . 2]" 1
217 1 79 ASN H 1 80 THR H . . 2.900 2.716 2.588 2.782 . 0 0 "[ . 1 . 2]" 1
218 1 80 THR H 1 81 ILE H . . 2.900 2.763 2.533 2.884 . 0 0 "[ . 1 . 2]" 1
219 1 81 ILE H 1 82 ALA H . . 2.900 2.744 2.700 2.792 . 0 0 "[ . 1 . 2]" 1
220 1 82 ALA H 1 83 VAL H . . 2.900 2.785 2.475 2.899 . 0 0 "[ . 1 . 2]" 1
221 1 83 VAL H 1 84 LEU H . . 2.900 2.756 2.385 2.803 . 0 0 "[ . 1 . 2]" 1
222 1 84 LEU H 1 85 TYR H . . 2.900 2.669 2.479 2.796 . 0 0 "[ . 1 . 2]" 1
223 1 85 TYR H 1 86 CYS H . . 2.900 2.847 2.726 2.901 0.001 1 0 "[ . 1 . 2]" 1
224 1 86 CYS H 1 87 VAL H . . 2.900 2.781 2.753 2.869 . 0 0 "[ . 1 . 2]" 1
225 1 87 VAL H 1 88 HIS H . . 2.900 2.644 2.462 2.826 . 0 0 "[ . 1 . 2]" 1
226 1 88 HIS H 1 89 GLN H . . 2.900 2.663 2.539 2.847 . 0 0 "[ . 1 . 2]" 1
227 1 89 GLN H 1 90 ARG H . . 2.900 2.775 2.665 2.900 0.000 4 0 "[ . 1 . 2]" 1
228 1 90 ARG H 1 91 ILE H . . 2.700 2.223 1.899 2.701 0.001 1 0 "[ . 1 . 2]" 1
229 1 72 GLU H 1 74 LEU H . . 5.000 4.309 3.834 4.677 . 0 0 "[ . 1 . 2]" 1
230 1 73 GLU H 1 75 ARG H . . 5.000 4.138 2.437 4.426 . 0 0 "[ . 1 . 2]" 1
231 1 74 LEU H 1 76 SER H . . 5.000 4.256 4.084 4.564 . 0 0 "[ . 1 . 2]" 1
232 1 75 ARG H 1 77 LEU H . . 5.000 4.290 4.050 4.531 . 0 0 "[ . 1 . 2]" 1
233 1 76 SER H 1 78 TYR H . . 5.000 4.585 4.482 4.655 . 0 0 "[ . 1 . 2]" 1
234 1 77 LEU H 1 79 ASN H . . 5.000 3.947 3.893 3.960 . 0 0 "[ . 1 . 2]" 1
235 1 78 TYR H 1 80 THR H . . 5.000 4.665 4.329 4.812 . 0 0 "[ . 1 . 2]" 1
236 1 79 ASN H 1 81 ILE H . . 5.000 4.184 4.075 4.285 . 0 0 "[ . 1 . 2]" 1
237 1 80 THR H 1 82 ALA H . . 5.000 3.921 3.775 4.085 . 0 0 "[ . 1 . 2]" 1
238 1 82 ALA H 1 84 LEU H . . 5.000 3.859 3.764 4.045 . 0 0 "[ . 1 . 2]" 1
239 1 83 VAL H 1 85 TYR H . . 5.000 4.441 3.799 4.585 . 0 0 "[ . 1 . 2]" 1
240 1 84 LEU H 1 86 CYS H . . 5.000 4.205 4.064 4.404 . 0 0 "[ . 1 . 2]" 1
241 1 85 TYR H 1 87 VAL H . . 5.000 4.174 3.896 4.482 . 0 0 "[ . 1 . 2]" 1
242 1 86 CYS H 1 88 HIS H . . 5.000 4.352 4.099 4.469 . 0 0 "[ . 1 . 2]" 1
243 1 87 VAL H 1 89 GLN H . . 5.000 3.971 3.807 4.171 . 0 0 "[ . 1 . 2]" 1
244 1 88 HIS H 1 90 ARG H . . 5.000 4.751 4.328 5.001 0.001 2 0 "[ . 1 . 2]" 1
245 1 89 GLN H 1 91 ILE H . . 5.000 3.987 3.097 4.599 . 0 0 "[ . 1 . 2]" 1
246 1 71 SER H 1 74 LEU H . . 5.000 3.326 2.717 4.005 . 0 0 "[ . 1 . 2]" 1
247 1 72 GLU H 1 75 ARG H . . 5.000 4.882 3.612 5.001 0.001 9 0 "[ . 1 . 2]" 1
248 1 74 LEU H 1 77 LEU H . . 5.000 4.919 4.827 5.006 0.006 18 0 "[ . 1 . 2]" 1
249 1 75 ARG H 1 78 TYR H . . 5.000 4.998 4.992 5.004 0.004 18 0 "[ . 1 . 2]" 1
250 1 76 SER H 1 79 ASN H . . 5.000 4.855 4.702 4.973 . 0 0 "[ . 1 . 2]" 1
251 1 71 SER HA 1 72 GLU H . . 2.700 2.641 2.342 2.700 0.000 9 0 "[ . 1 . 2]" 1
252 1 71 SER HB2 1 73 GLU H . . 5.000 3.440 2.376 4.906 . 0 0 "[ . 1 . 2]" 1
253 1 72 GLU HA 1 75 ARG H . . 5.000 3.518 2.967 4.379 . 0 0 "[ . 1 . 2]" 1
254 1 73 GLU HA 1 76 SER H . . 5.000 3.931 3.559 4.817 . 0 0 "[ . 1 . 2]" 1
255 1 74 LEU HA 1 77 LEU H . . 5.000 3.544 3.146 3.737 . 0 0 "[ . 1 . 2]" 1
256 1 75 ARG HA 1 78 TYR H . . 5.000 3.719 3.642 3.842 . 0 0 "[ . 1 . 2]" 1
257 1 76 SER HA 1 79 ASN H . . 5.000 3.585 3.522 3.673 . 0 0 "[ . 1 . 2]" 1
258 1 77 LEU HA 1 80 THR H . . 5.000 3.544 3.389 3.659 . 0 0 "[ . 1 . 2]" 1
259 1 78 TYR HA 1 81 ILE H . . 5.000 3.958 3.609 4.182 . 0 0 "[ . 1 . 2]" 1
260 1 79 ASN HA 1 82 ALA H . . 5.000 3.818 3.664 4.004 . 0 0 "[ . 1 . 2]" 1
261 1 80 THR HA 1 83 VAL H . . 5.000 3.661 3.367 3.769 . 0 0 "[ . 1 . 2]" 1
262 1 81 ILE HA 1 84 LEU H . . 5.000 3.765 3.352 3.931 . 0 0 "[ . 1 . 2]" 1
263 1 82 ALA HA 1 85 TYR H . . 5.000 3.648 3.464 3.853 . 0 0 "[ . 1 . 2]" 1
264 1 83 VAL HA 1 86 CYS H . . 5.000 3.843 3.676 3.948 . 0 0 "[ . 1 . 2]" 1
265 1 84 LEU HA 1 87 VAL H . . 5.000 3.556 3.500 3.658 . 0 0 "[ . 1 . 2]" 1
266 1 85 TYR HA 1 88 HIS H . . 5.000 3.368 3.165 3.559 . 0 0 "[ . 1 . 2]" 1
267 1 86 CYS HA 1 89 GLN H . . 5.000 3.458 3.228 3.641 . 0 0 "[ . 1 . 2]" 1
268 1 87 VAL HA 1 90 ARG H . . 5.000 4.336 4.052 4.533 . 0 0 "[ . 1 . 2]" 1
269 1 74 LEU HA 1 78 TYR H . . 5.000 4.215 4.020 4.297 . 0 0 "[ . 1 . 2]" 1
270 1 75 ARG HA 1 79 ASN H . . 5.000 4.422 4.121 4.654 . 0 0 "[ . 1 . 2]" 1
271 1 79 ASN HA 1 83 VAL H . . 5.000 4.362 4.178 4.929 . 0 0 "[ . 1 . 2]" 1
272 1 81 ILE HA 1 85 TYR H . . 5.000 3.728 3.549 3.957 . 0 0 "[ . 1 . 2]" 1
273 1 84 LEU HA 1 88 HIS H . . 5.000 4.609 4.155 4.931 . 0 0 "[ . 1 . 2]" 1
274 1 85 TYR HA 1 89 GLN H . . 5.000 4.499 4.226 4.835 . 0 0 "[ . 1 . 2]" 1
275 1 72 GLU HA 1 75 ARG QB . . 3.300 2.727 2.232 3.308 0.008 18 0 "[ . 1 . 2]" 1
276 1 73 GLU HA 1 76 SER QB . . 5.000 3.327 2.688 4.655 . 0 0 "[ . 1 . 2]" 1
277 1 74 LEU HA 1 77 LEU QB . . 3.300 2.661 2.324 3.026 . 0 0 "[ . 1 . 2]" 1
278 1 75 ARG HA 1 78 TYR QB . . 3.300 3.062 2.886 3.300 . 0 0 "[ . 1 . 2]" 1
279 1 76 SER HA 1 79 ASN QB . . 3.300 2.493 2.435 2.573 . 0 0 "[ . 1 . 2]" 1
280 1 77 LEU HA 1 80 THR HB . . 3.300 3.270 3.085 3.301 0.001 11 0 "[ . 1 . 2]" 1
281 1 78 TYR HA 1 81 ILE HB . . 5.000 2.761 2.634 3.052 . 0 0 "[ . 1 . 2]" 1
282 1 79 ASN HA 1 82 ALA MB . . 3.300 2.755 2.590 3.127 . 0 0 "[ . 1 . 2]" 1
283 1 80 THR HA 1 83 VAL HB . . 3.300 3.289 3.226 3.301 0.001 6 0 "[ . 1 . 2]" 1
284 1 81 ILE HA 1 84 LEU QB . . 3.300 2.779 2.650 2.893 . 0 0 "[ . 1 . 2]" 1
285 1 82 ALA HA 1 85 TYR QB . . 3.300 2.775 2.615 3.037 . 0 0 "[ . 1 . 2]" 1
286 1 83 VAL HA 1 86 CYS QB . . 3.300 2.894 2.649 3.107 . 0 0 "[ . 1 . 2]" 1
287 1 84 LEU HA 1 87 VAL HB . . 3.300 3.192 2.977 3.299 . 0 0 "[ . 1 . 2]" 1
288 1 85 TYR HA 1 88 HIS QB . . 3.300 2.865 2.543 3.204 . 0 0 "[ . 1 . 2]" 1
289 1 86 CYS HA 1 89 GLN QB . . 3.300 2.811 2.513 3.111 . 0 0 "[ . 1 . 2]" 1
290 1 91 ILE HA 1 92 ASP H . . 2.700 2.154 2.140 2.213 . 0 0 "[ . 1 . 2]" 1
291 1 92 ASP HA 1 93 VAL H . . 2.700 2.415 2.141 2.620 . 0 0 "[ . 1 . 2]" 1
292 1 93 VAL HA 1 94 LYS H . . 2.700 2.430 2.258 2.609 . 0 0 "[ . 1 . 2]" 1
293 1 94 LYS H 1 95 ASP H . . 2.700 2.139 1.906 2.553 . 0 0 "[ . 1 . 2]" 1
294 1 18 ILE HA 1 94 LYS HA . . 5.000 3.414 3.156 4.281 . 0 0 "[ . 1 . 2]" 1
295 1 19 ARG HA 1 95 ASP HA . . 5.000 4.567 4.395 4.758 . 0 0 "[ . 1 . 2]" 1
296 1 96 THR H 1 97 LYS H . . 2.900 2.467 2.359 2.740 . 0 0 "[ . 1 . 2]" 1
297 1 93 VAL HA 1 95 ASP H . . 5.000 4.232 3.947 4.631 . 0 0 "[ . 1 . 2]" 1
298 1 95 ASP HA 1 96 THR H . . 2.700 2.586 2.455 2.640 . 0 0 "[ . 1 . 2]" 1
299 1 19 ARG H 1 95 ASP HA . . 2.700 2.413 2.029 2.701 0.001 6 0 "[ . 1 . 2]" 1
300 1 20 LEU HA 1 96 THR H . . 5.000 3.837 3.565 4.266 . 0 0 "[ . 1 . 2]" 1
301 1 21 ARG HA 1 96 THR H . . 5.000 3.517 3.036 4.111 . 0 0 "[ . 1 . 2]" 1
302 1 22 PRO HD3 1 96 THR H . . 5.000 4.231 3.679 4.852 . 0 0 "[ . 1 . 2]" 1
303 1 19 ARG H 1 95 ASP H . . 5.000 4.603 4.341 4.801 . 0 0 "[ . 1 . 2]" 1
304 1 97 LYS H 1 98 GLU H . . 2.900 2.725 2.541 2.896 . 0 0 "[ . 1 . 2]" 1
305 1 98 GLU H 1 99 ALA H . . 2.900 2.708 2.554 2.835 . 0 0 "[ . 1 . 2]" 1
306 1 99 ALA H 1 100 LEU H . . 2.900 2.670 2.520 2.804 . 0 0 "[ . 1 . 2]" 1
307 1 100 LEU H 1 101 ASP H . . 2.900 2.555 2.318 2.698 . 0 0 "[ . 1 . 2]" 1
308 1 101 ASP H 1 102 LYS H . . 2.900 2.577 2.306 2.757 . 0 0 "[ . 1 . 2]" 1
309 1 102 LYS H 1 103 ILE H . . 2.900 2.680 2.389 2.848 . 0 0 "[ . 1 . 2]" 1
310 1 103 ILE H 1 104 GLU H . . 2.900 2.550 2.314 2.780 . 0 0 "[ . 1 . 2]" 1
311 1 104 GLU H 1 105 GLU H . . 2.900 2.578 2.389 2.755 . 0 0 "[ . 1 . 2]" 1
312 1 105 GLU H 1 106 GLU H . . 2.900 2.569 2.355 2.727 . 0 0 "[ . 1 . 2]" 1
313 1 106 GLU H 1 107 GLN H . . 2.900 2.627 2.448 2.827 . 0 0 "[ . 1 . 2]" 1
314 1 107 GLN H 1 108 ASN H . . 2.900 2.484 2.207 2.779 . 0 0 "[ . 1 . 2]" 1
315 1 108 ASN H 1 109 LYS H . . 2.900 2.632 2.395 2.791 . 0 0 "[ . 1 . 2]" 1
316 1 109 LYS H 1 110 SER H . . 2.900 2.610 2.274 2.787 . 0 0 "[ . 1 . 2]" 1
317 1 110 SER H 1 111 LYS H . . 2.900 2.553 2.146 2.898 . 0 0 "[ . 1 . 2]" 1
318 1 111 LYS H 1 112 LYS H . . 2.900 2.580 2.174 2.815 . 0 0 "[ . 1 . 2]" 1
319 1 112 LYS H 1 113 LYS H . . 2.900 2.634 2.240 2.803 . 0 0 "[ . 1 . 2]" 1
320 1 113 LYS H 1 114 ALA H . . 2.900 2.568 1.962 2.887 . 0 0 "[ . 1 . 2]" 1
321 1 114 ALA H 1 115 GLN H . . 2.900 2.489 1.956 2.864 . 0 0 "[ . 1 . 2]" 1
322 1 115 GLN H 1 116 GLN H . . 2.900 2.507 1.916 2.896 . 0 0 "[ . 1 . 2]" 1
323 1 116 GLN H 1 117 ALA H . . 2.900 2.513 1.958 2.829 . 0 0 "[ . 1 . 2]" 1
324 1 117 ALA H 1 118 ALA H . . 2.900 2.534 2.026 2.790 . 0 0 "[ . 1 . 2]" 1
325 1 96 THR H 1 98 GLU H . . 5.000 4.370 4.096 4.614 . 0 0 "[ . 1 . 2]" 1
326 1 97 LYS H 1 99 ALA H . . 5.000 4.133 3.982 4.286 . 0 0 "[ . 1 . 2]" 1
327 1 98 GLU H 1 100 LEU H . . 5.000 4.056 3.854 4.275 . 0 0 "[ . 1 . 2]" 1
328 1 99 ALA H 1 101 ASP H . . 5.000 4.283 4.063 4.603 . 0 0 "[ . 1 . 2]" 1
329 1 100 LEU H 1 102 LYS H . . 5.000 4.004 3.795 4.191 . 0 0 "[ . 1 . 2]" 1
330 1 101 ASP H 1 103 ILE H . . 5.000 4.224 3.592 4.790 . 0 0 "[ . 1 . 2]" 1
331 1 102 LYS H 1 104 GLU H . . 5.000 4.004 3.812 4.311 . 0 0 "[ . 1 . 2]" 1
332 1 103 ILE H 1 105 GLU H . . 5.000 4.078 3.817 4.473 . 0 0 "[ . 1 . 2]" 1
333 1 104 GLU H 1 106 GLU H . . 5.000 4.142 3.731 4.593 . 0 0 "[ . 1 . 2]" 1
334 1 105 GLU H 1 107 GLN H . . 5.000 4.025 3.737 4.290 . 0 0 "[ . 1 . 2]" 1
335 1 106 GLU H 1 108 ASN H . . 5.000 4.013 3.720 4.234 . 0 0 "[ . 1 . 2]" 1
336 1 107 GLN H 1 109 LYS H . . 5.000 4.256 3.856 4.861 . 0 0 "[ . 1 . 2]" 1
337 1 108 ASN H 1 110 SER H . . 5.000 4.147 3.810 4.495 . 0 0 "[ . 1 . 2]" 1
338 1 109 LYS H 1 111 LYS H . . 5.000 4.162 3.787 4.806 . 0 0 "[ . 1 . 2]" 1
339 1 110 SER H 1 112 LYS H . . 5.000 4.256 3.919 4.939 . 0 0 "[ . 1 . 2]" 1
340 1 111 LYS H 1 113 LYS H . . 5.000 4.048 2.874 4.817 . 0 0 "[ . 1 . 2]" 1
341 1 112 LYS H 1 114 ALA H . . 5.000 4.260 3.813 4.804 . 0 0 "[ . 1 . 2]" 1
342 1 113 LYS H 1 115 GLN H . . 5.000 4.498 3.774 4.995 . 0 0 "[ . 1 . 2]" 1
343 1 114 ALA H 1 116 GLN H . . 5.000 4.389 3.417 4.960 . 0 0 "[ . 1 . 2]" 1
344 1 115 GLN H 1 117 ALA H . . 5.000 4.450 3.292 4.996 . 0 0 "[ . 1 . 2]" 1
345 1 116 GLN H 1 118 ALA H . . 5.000 3.996 2.992 4.715 . 0 0 "[ . 1 . 2]" 1
346 1 119 ALA H 1 121 THR H . . 5.000 4.422 3.395 4.978 . 0 0 "[ . 1 . 2]" 1
347 1 97 LYS H 1 100 LEU H . . 5.000 4.830 4.618 4.960 . 0 0 "[ . 1 . 2]" 1
348 1 98 GLU H 1 101 ASP H . . 5.000 4.937 4.779 5.000 . 0 0 "[ . 1 . 2]" 1
349 1 99 ALA H 1 102 LYS H . . 5.000 4.894 4.764 5.000 0.000 6 0 "[ . 1 . 2]" 1
350 1 101 ASP H 1 104 GLU H . . 5.000 4.729 4.532 5.007 0.007 17 0 "[ . 1 . 2]" 1
351 1 102 LYS H 1 105 GLU H . . 5.000 4.771 4.569 5.001 0.001 17 0 "[ . 1 . 2]" 1
352 1 103 ILE H 1 106 GLU H . . 5.000 4.865 4.579 4.989 . 0 0 "[ . 1 . 2]" 1
353 1 104 GLU H 1 107 GLN H . . 5.000 4.865 4.694 4.979 . 0 0 "[ . 1 . 2]" 1
354 1 105 GLU H 1 108 ASN H . . 5.000 4.754 4.388 4.993 . 0 0 "[ . 1 . 2]" 1
355 1 95 ASP H 1 99 ALA H . . 5.000 4.169 3.737 4.488 . 0 0 "[ . 1 . 2]" 1
356 1 96 THR HA 1 99 ALA H . . 5.000 3.493 3.281 3.759 . 0 0 "[ . 1 . 2]" 1
357 1 97 LYS HA 1 100 LEU H . . 5.000 3.563 3.318 3.830 . 0 0 "[ . 1 . 2]" 1
358 1 98 GLU HA 1 101 ASP H . . 5.000 3.403 3.115 3.639 . 0 0 "[ . 1 . 2]" 1
359 1 99 ALA HA 1 102 LYS H . . 5.000 3.539 3.290 3.771 . 0 0 "[ . 1 . 2]" 1
360 1 100 LEU HA 1 103 ILE H . . 5.000 3.640 3.311 3.807 . 0 0 "[ . 1 . 2]" 1
361 1 101 ASP HA 1 104 GLU H . . 5.000 3.479 3.223 3.840 . 0 0 "[ . 1 . 2]" 1
362 1 102 LYS HA 1 105 GLU H . . 5.000 3.631 3.136 4.028 . 0 0 "[ . 1 . 2]" 1
363 1 103 ILE HA 1 106 GLU H . . 5.000 3.498 3.258 3.830 . 0 0 "[ . 1 . 2]" 1
364 1 104 GLU HA 1 107 GLN H . . 5.000 3.616 3.381 3.942 . 0 0 "[ . 1 . 2]" 1
365 1 105 GLU HA 1 108 ASN H . . 5.000 3.402 3.092 3.790 . 0 0 "[ . 1 . 2]" 1
366 1 97 LYS HA 1 101 ASP H . . 5.000 4.611 4.037 4.970 . 0 0 "[ . 1 . 2]" 1
367 1 100 LEU HA 1 104 GLU H . . 5.000 4.210 3.783 5.001 0.001 12 0 "[ . 1 . 2]" 1
368 1 96 THR HA 1 99 ALA MB . . 3.300 2.576 2.189 2.906 . 0 0 "[ . 1 . 2]" 1
369 1 97 LYS HA 1 100 LEU QB . . 3.300 2.867 2.499 3.296 . 0 0 "[ . 1 . 2]" 1
370 1 98 GLU HA 1 101 ASP QB . . 3.300 2.838 2.476 3.129 . 0 0 "[ . 1 . 2]" 1
371 1 99 ALA HA 1 102 LYS QB . . 3.300 2.757 2.456 3.165 . 0 0 "[ . 1 . 2]" 1
372 1 100 LEU HA 1 103 ILE HB . . 3.300 3.210 2.917 3.315 0.015 12 0 "[ . 1 . 2]" 1
373 1 101 ASP HA 1 104 GLU QB . . 3.300 2.590 2.233 3.309 0.009 17 0 "[ . 1 . 2]" 1
374 1 102 LYS HA 1 105 GLU QB . . 3.300 2.951 2.516 3.290 . 0 0 "[ . 1 . 2]" 1
375 1 103 ILE HA 1 106 GLU QB . . 3.300 2.803 2.451 3.236 . 0 0 "[ . 1 . 2]" 1
376 1 104 GLU HA 1 107 GLN QB . . 3.300 3.026 2.641 3.295 . 0 0 "[ . 1 . 2]" 1
377 1 105 GLU HA 1 108 ASN QB . . 3.300 2.479 2.047 3.019 . 0 0 "[ . 1 . 2]" 1
378 1 107 GLN HA 1 110 SER QB . . 3.300 3.072 2.677 3.296 . 0 0 "[ . 1 . 2]" 1
379 1 108 ASN HA 1 111 LYS QB . . 3.300 2.744 2.010 3.282 . 0 0 "[ . 1 . 2]" 1
380 1 110 SER HA 1 113 LYS QB . . 3.300 3.112 2.784 3.299 . 0 0 "[ . 1 . 2]" 1
381 1 111 LYS HA 1 114 ALA MB . . 3.300 2.837 2.096 3.295 . 0 0 "[ . 1 . 2]" 1
382 1 115 GLN HA 1 118 ALA MB . . 3.800 3.447 2.030 3.833 0.033 19 0 "[ . 1 . 2]" 1
383 1 116 GLN HA 1 119 ALA MB . . 3.800 3.334 2.213 4.036 0.236 19 0 "[ . 1 . 2]" 1
384 1 117 ALA HA 1 120 ASP QB . . 5.000 4.162 2.452 5.025 0.025 12 0 "[ . 1 . 2]" 1
385 1 118 ALA HA 1 121 THR MG . . 5.000 4.083 2.599 4.979 . 0 0 "[ . 1 . 2]" 1
386 1 6 VAL H 1 6 VAL HB . . 2.700 2.576 2.499 2.695 . 0 0 "[ . 1 . 2]" 1
387 1 6 VAL H 1 7 LEU H . . 2.700 2.596 2.377 2.700 . 0 0 "[ . 1 . 2]" 1
388 1 6 VAL HB 1 7 LEU H . . 2.700 2.142 1.952 2.655 . 0 0 "[ . 1 . 2]" 1
389 1 6 VAL HB 1 33 ILE MG . . 3.300 2.603 2.216 3.286 . 0 0 "[ . 1 . 2]" 1
390 1 6 VAL HB 1 33 ILE MD . . 5.000 3.337 3.020 3.616 . 0 0 "[ . 1 . 2]" 1
391 1 6 VAL MG2 1 33 ILE MG . . 3.300 2.354 2.033 2.559 . 0 0 "[ . 1 . 2]" 1
392 1 6 VAL MG1 1 33 ILE MG . . 3.300 2.265 1.887 2.671 . 0 0 "[ . 1 . 2]" 1
393 1 6 VAL MG1 1 50 LEU MD1 . . 5.000 3.668 3.315 4.195 . 0 0 "[ . 1 . 2]" 1
394 1 6 VAL MG2 1 50 LEU MD1 . . 5.000 3.530 3.065 4.296 . 0 0 "[ . 1 . 2]" 1
395 1 6 VAL HA 1 51 GLU HA . . 2.700 2.654 2.398 2.701 0.001 17 0 "[ . 1 . 2]" 1
396 1 6 VAL MG1 1 84 LEU MD2 . . 3.300 2.025 1.838 2.388 . 0 0 "[ . 1 . 2]" 1
397 1 6 VAL MG1 1 84 LEU MD1 . . 5.000 2.219 1.922 3.319 . 0 0 "[ . 1 . 2]" 1
398 1 6 VAL MG1 1 88 HIS HE1 . . 3.300 3.173 2.631 3.300 0.000 1 0 "[ . 1 . 2]" 1
399 1 7 LEU HA 1 7 LEU MD2 . . 2.700 2.048 1.968 2.159 . 0 0 "[ . 1 . 2]" 1
400 1 7 LEU H 1 7 LEU HG . . 3.300 2.961 2.661 3.230 . 0 0 "[ . 1 . 2]" 1
401 1 7 LEU HA 1 8 SER H . . 2.700 2.167 2.139 2.297 . 0 0 "[ . 1 . 2]" 1
402 1 7 LEU MD2 1 8 SER H . . 5.000 3.311 2.886 3.552 . 0 0 "[ . 1 . 2]" 1
403 1 7 LEU MD1 1 11 GLU QB . . 5.000 3.093 2.960 3.321 . 0 0 "[ . 1 . 2]" 1
404 1 7 LEU MD2 1 11 GLU QB . . 5.000 1.891 1.822 1.966 . 0 0 "[ . 1 . 2]" 1
405 1 7 LEU HB3 1 12 LEU H . . 3.300 3.229 3.048 3.300 0.000 2 0 "[ . 1 . 2]" 1
406 1 7 LEU MD1 1 12 LEU H . . 5.000 4.268 4.110 4.440 . 0 0 "[ . 1 . 2]" 1
407 1 7 LEU MD1 1 12 LEU HA . . 2.700 2.701 2.675 2.722 0.022 18 0 "[ . 1 . 2]" 1
408 1 7 LEU QB 1 12 LEU QD . . 5.000 2.834 2.285 3.808 . 0 0 "[ . 1 . 2]" 1
409 1 7 LEU MD1 1 15 TRP H . . 5.000 3.893 3.826 4.002 . 0 0 "[ . 1 . 2]" 1
410 1 7 LEU MD1 1 15 TRP HD1 . . 5.000 3.623 3.363 3.828 . 0 0 "[ . 1 . 2]" 1
411 1 7 LEU MD1 1 15 TRP HB2 . . 2.700 1.988 1.888 2.148 . 0 0 "[ . 1 . 2]" 1
412 1 7 LEU MD1 1 15 TRP HB3 . . 2.700 2.662 2.570 2.704 0.004 19 0 "[ . 1 . 2]" 1
413 1 7 LEU H 1 33 ILE MD . . 5.000 3.748 3.315 4.468 . 0 0 "[ . 1 . 2]" 1
414 1 7 LEU HG 1 33 ILE MD . . 3.300 2.728 2.446 3.065 . 0 0 "[ . 1 . 2]" 1
415 1 7 LEU MD1 1 33 ILE MD . . 3.300 1.910 1.843 1.989 . 0 0 "[ . 1 . 2]" 1
416 1 7 LEU MD2 1 84 LEU MD1 . . 5.000 2.792 1.866 4.567 . 0 0 "[ . 1 . 2]" 1
417 1 7 LEU MD2 1 84 LEU MD2 . . 5.000 3.257 2.710 3.997 . 0 0 "[ . 1 . 2]" 1
418 1 7 LEU MD2 1 87 VAL MG1 . . 5.000 2.368 1.906 2.628 . 0 0 "[ . 1 . 2]" 1
419 1 7 LEU MD2 1 88 HIS HE1 . . 2.700 2.059 1.908 2.378 . 0 0 "[ . 1 . 2]" 1
420 1 7 LEU HG 1 88 HIS HE1 . . 5.000 3.913 3.101 4.363 . 0 0 "[ . 1 . 2]" 1
421 1 7 LEU H 1 88 HIS HE1 . . 5.000 4.859 4.083 5.002 0.002 9 0 "[ . 1 . 2]" 1
422 1 8 SER HA 1 8 SER HB2 . . 2.700 2.328 2.287 2.424 . 0 0 "[ . 1 . 2]" 1
423 1 8 SER HA 1 8 SER HB3 . . 2.700 2.624 2.499 2.685 . 0 0 "[ . 1 . 2]" 1
424 1 8 SER H 1 8 SER HB3 . . 3.300 2.352 2.220 2.643 . 0 0 "[ . 1 . 2]" 1
425 1 8 SER HB2 1 9 GLY H . . 3.300 2.252 1.989 2.355 . 0 0 "[ . 1 . 2]" 1
426 1 8 SER H 1 11 GLU HB2 . . 2.700 2.396 2.133 2.595 . 0 0 "[ . 1 . 2]" 1
427 1 8 SER H 1 11 GLU HG3 . . 2.700 2.699 2.672 2.710 0.010 19 0 "[ . 1 . 2]" 1
428 1 8 SER H 1 11 GLU H . . 5.000 3.641 3.456 3.723 . 0 0 "[ . 1 . 2]" 1
429 1 8 SER H 1 12 LEU H . . 5.000 4.185 3.857 4.349 . 0 0 "[ . 1 . 2]" 1
430 1 8 SER HB2 1 11 GLU H . . 5.000 4.553 4.395 4.736 . 0 0 "[ . 1 . 2]" 1
431 1 8 SER HB3 1 11 GLU H . . 5.000 4.310 4.122 4.573 . 0 0 "[ . 1 . 2]" 1
432 1 8 SER H 1 88 HIS HE1 . . 5.000 4.359 4.051 4.867 . 0 0 "[ . 1 . 2]" 1
433 1 9 GLY H 1 12 LEU QD . . 5.500 5.140 4.965 5.528 0.028 17 0 "[ . 1 . 2]" 1
434 1 9 GLY H 1 12 LEU HB2 . . 5.500 4.924 4.786 5.014 . 0 0 "[ . 1 . 2]" 1
435 1 9 GLY H 1 12 LEU HB3 . . 5.500 5.505 5.475 5.551 0.051 17 0 "[ . 1 . 2]" 1
436 1 11 GLU H 1 11 GLU HB2 . . 2.700 2.685 2.654 2.702 0.002 1 0 "[ . 1 . 2]" 1
437 1 11 GLU H 1 11 GLU HG3 . . 2.700 1.966 1.935 2.035 . 0 0 "[ . 1 . 2]" 1
438 1 11 GLU HA 1 87 VAL MG1 . . 3.300 2.601 2.406 2.834 . 0 0 "[ . 1 . 2]" 1
439 1 12 LEU HG 1 13 ASP H . . 5.000 4.338 3.800 5.000 0.000 1 0 "[ . 1 . 2]" 1
440 1 12 LEU HA 1 15 TRP HD1 . . 5.000 4.092 3.860 4.348 . 0 0 "[ . 1 . 2]" 1
441 1 12 LEU QD 1 15 TRP HD1 . . 3.300 3.142 2.700 3.301 0.001 10 0 "[ . 1 . 2]" 1
442 1 12 LEU QD 1 16 GLU H . . 5.000 3.878 2.959 4.721 . 0 0 "[ . 1 . 2]" 1
443 1 12 LEU QD 1 33 ILE MD . . 5.000 3.297 2.762 4.022 . 0 0 "[ . 1 . 2]" 1
444 1 15 TRP HB3 1 15 TRP HD1 . . 3.300 2.614 2.582 2.647 . 0 0 "[ . 1 . 2]" 1
445 1 15 TRP HA 1 15 TRP HE3 . . 3.300 2.881 2.688 3.047 . 0 0 "[ . 1 . 2]" 1
446 1 15 TRP HB2 1 15 TRP HE3 . . 3.300 2.665 2.600 2.749 . 0 0 "[ . 1 . 2]" 1
447 1 15 TRP HB3 1 16 GLU H . . 2.700 2.439 2.274 2.702 0.002 15 0 "[ . 1 . 2]" 1
448 1 15 TRP HD1 1 16 GLU HA . . 5.000 3.290 3.045 3.664 . 0 0 "[ . 1 . 2]" 1
449 1 15 TRP HD1 1 16 GLU HG2 . . 3.300 3.255 3.150 3.301 0.001 18 0 "[ . 1 . 2]" 1
450 1 15 TRP HD1 1 16 GLU HG3 . . 3.300 3.239 3.064 3.301 0.001 5 0 "[ . 1 . 2]" 1
451 1 15 TRP HA 1 18 ILE MD . . 3.300 1.950 1.881 2.240 . 0 0 "[ . 1 . 2]" 1
452 1 15 TRP HE3 1 18 ILE MD . . 5.000 2.951 2.603 3.186 . 0 0 "[ . 1 . 2]" 1
453 1 15 TRP HD1 1 29 LYS H . . 5.000 4.741 4.641 5.005 0.005 5 0 "[ . 1 . 2]" 1
454 1 15 TRP HE1 1 29 LYS H . . 5.000 3.012 2.881 3.721 . 0 0 "[ . 1 . 2]" 1
455 1 15 TRP HE1 1 29 LYS HA . . 5.000 3.050 2.943 3.143 . 0 0 "[ . 1 . 2]" 1
456 1 15 TRP HD1 1 29 LYS HA . . 3.300 3.286 2.995 3.303 0.003 19 0 "[ . 1 . 2]" 1
457 1 15 TRP HE1 1 30 LEU H . . 5.000 3.792 3.710 4.048 . 0 0 "[ . 1 . 2]" 1
458 1 15 TRP HE1 1 30 LEU HA . . 3.300 3.299 3.276 3.302 0.002 20 0 "[ . 1 . 2]" 1
459 1 15 TRP HZ2 1 33 ILE H . . 3.300 3.209 3.137 3.300 0.000 14 0 "[ . 1 . 2]" 1
460 1 15 TRP HE1 1 33 ILE MD . . 3.300 2.720 2.380 2.881 . 0 0 "[ . 1 . 2]" 1
461 1 15 TRP HD1 1 33 ILE MD . . 5.000 3.170 2.965 3.324 . 0 0 "[ . 1 . 2]" 1
462 1 15 TRP HZ2 1 33 ILE MD . . 5.000 3.595 3.413 3.707 . 0 0 "[ . 1 . 2]" 1
463 1 15 TRP HE1 1 33 ILE HG13 . . 3.300 2.617 2.471 2.814 . 0 0 "[ . 1 . 2]" 1
464 1 15 TRP HE1 1 33 ILE HG12 . . 5.000 3.730 3.548 4.085 . 0 0 "[ . 1 . 2]" 1
465 1 15 TRP HE1 1 33 ILE H . . 5.000 3.781 3.601 3.880 . 0 0 "[ . 1 . 2]" 1
466 1 15 TRP HH2 1 80 THR MG . . 2.700 1.960 1.884 2.466 . 0 0 "[ . 1 . 2]" 1
467 1 15 TRP HH2 1 80 THR HA . . 5.000 3.171 2.963 4.023 . 0 0 "[ . 1 . 2]" 1
468 1 15 TRP HZ3 1 83 VAL MG1 . . 2.700 2.555 2.294 2.697 . 0 0 "[ . 1 . 2]" 1
469 1 15 TRP HZ3 1 83 VAL HB . . 2.700 2.661 2.466 2.701 0.001 2 0 "[ . 1 . 2]" 1
470 1 15 TRP HE3 1 84 LEU HA . . 5.000 3.125 2.952 3.320 . 0 0 "[ . 1 . 2]" 1
471 1 15 TRP HZ3 1 84 LEU HA . . 3.300 2.323 2.049 2.535 . 0 0 "[ . 1 . 2]" 1
472 1 15 TRP HZ3 1 84 LEU MD1 . . 3.300 2.670 2.452 2.977 . 0 0 "[ . 1 . 2]" 1
473 1 15 TRP H 1 87 VAL MG1 . . 5.000 4.151 3.470 4.468 . 0 0 "[ . 1 . 2]" 1
474 1 15 TRP H 1 87 VAL MG2 . . 5.000 4.177 3.903 4.402 . 0 0 "[ . 1 . 2]" 1
475 1 15 TRP HA 1 87 VAL MG1 . . 5.000 4.656 3.593 4.998 . 0 0 "[ . 1 . 2]" 1
476 1 15 TRP HA 1 87 VAL MG2 . . 5.000 3.551 2.766 3.899 . 0 0 "[ . 1 . 2]" 1
477 1 15 TRP HE3 1 87 VAL MG2 . . 3.300 2.570 1.964 2.921 . 0 0 "[ . 1 . 2]" 1
478 1 15 TRP HE3 1 87 VAL MG1 . . 5.000 4.111 3.122 4.571 . 0 0 "[ . 1 . 2]" 1
479 1 16 GLU QB 1 17 LYS H . . 3.300 2.975 2.908 3.176 . 0 0 "[ . 1 . 2]" 1
480 1 16 GLU HA 1 28 TYR HB2 . . 5.000 3.702 3.574 4.130 . 0 0 "[ . 1 . 2]" 1
481 1 16 GLU HA 1 28 TYR HB3 . . 5.000 3.810 3.651 4.561 . 0 0 "[ . 1 . 2]" 1
482 1 17 LYS HA 1 27 GLN HB3 . . 5.000 3.944 3.713 4.678 . 0 0 "[ . 1 . 2]" 1
483 1 17 LYS HA 1 27 GLN HG2 . . 5.000 3.870 2.656 5.006 0.006 19 0 "[ . 1 . 2]" 1
484 1 18 ILE H 1 27 GLN QB . . 5.000 4.686 3.348 5.001 0.001 7 0 "[ . 1 . 2]" 1
485 1 18 ILE H 1 28 TYR HD2 . . 5.000 4.626 4.087 4.795 . 0 0 "[ . 1 . 2]" 1
486 1 18 ILE HB 1 28 TYR HD2 . . 2.700 2.645 2.296 2.702 0.002 1 0 "[ . 1 . 2]" 1
487 1 18 ILE MG 1 28 TYR HD2 . . 2.700 2.064 2.018 2.098 . 0 0 "[ . 1 . 2]" 1
488 1 18 ILE MG 1 28 TYR HE2 . . 3.300 2.436 2.369 2.656 . 0 0 "[ . 1 . 2]" 1
489 1 18 ILE MG 1 83 VAL MG2 . . 5.000 2.246 1.958 2.465 . 0 0 "[ . 1 . 2]" 1
490 1 18 ILE MG 1 83 VAL MG1 . . 5.000 1.771 1.734 1.882 . 0 0 "[ . 1 . 2]" 1
491 1 18 ILE MD 1 83 VAL MG1 . . 3.300 2.003 1.803 2.219 . 0 0 "[ . 1 . 2]" 1
492 1 18 ILE HG12 1 93 VAL MG2 . . 3.300 2.700 1.943 3.299 . 0 0 "[ . 1 . 2]" 1
493 1 18 ILE MD 1 93 VAL QG . . 5.000 3.006 1.968 3.527 . 0 0 "[ . 1 . 2]" 1
494 1 18 ILE MG 1 95 ASP HA . . 2.700 2.257 2.019 2.701 0.001 6 0 "[ . 1 . 2]" 1
495 1 18 ILE MG 1 95 ASP H . . 5.000 3.711 3.392 4.069 . 0 0 "[ . 1 . 2]" 1
496 1 18 ILE MG 1 96 THR H . . 5.000 3.671 3.256 3.945 . 0 0 "[ . 1 . 2]" 1
497 1 19 ARG QB 1 21 ARG H . . 3.300 2.634 2.295 3.218 . 0 0 "[ . 1 . 2]" 1
498 1 20 LEU HA 1 20 LEU MD2 . . 2.700 2.321 1.953 2.701 0.001 19 0 "[ . 1 . 2]" 1
499 1 20 LEU H 1 20 LEU HG . . 2.700 2.139 1.949 2.703 0.003 2 0 "[ . 1 . 2]" 1
500 1 20 LEU HG 1 27 GLN HA . . 5.000 4.073 3.716 4.398 . 0 0 "[ . 1 . 2]" 1
501 1 20 LEU MD2 1 28 TYR QE . . 3.300 2.594 2.512 2.686 . 0 0 "[ . 1 . 2]" 1
502 1 20 LEU MD2 1 28 TYR QD . . 3.300 2.884 2.772 3.071 . 0 0 "[ . 1 . 2]" 1
503 1 20 LEU MD2 1 28 TYR HA . . 3.300 2.852 2.449 3.153 . 0 0 "[ . 1 . 2]" 1
504 1 20 LEU MD2 1 28 TYR H . . 5.000 4.742 4.090 5.000 . 0 0 "[ . 1 . 2]" 1
505 1 20 LEU MD2 1 32 HIS HE1 . . 5.000 3.028 2.687 3.536 . 0 0 "[ . 1 . 2]" 1
506 1 20 LEU MD1 1 32 HIS HE1 . . 5.000 2.796 2.361 3.376 . 0 0 "[ . 1 . 2]" 1
507 1 21 ARG H 1 95 ASP HB2 . . 5.000 4.428 3.852 4.992 . 0 0 "[ . 1 . 2]" 1
508 1 21 ARG H 1 95 ASP HB3 . . 5.000 4.640 4.344 5.000 . 0 0 "[ . 1 . 2]" 1
509 1 21 ARG H 1 96 THR H . . 5.000 4.357 3.984 4.834 . 0 0 "[ . 1 . 2]" 1
510 1 21 ARG HA 1 96 THR HB . . 5.000 3.554 2.950 4.043 . 0 0 "[ . 1 . 2]" 1
511 1 21 ARG HA 1 97 LYS H . . 5.000 3.785 3.306 4.475 . 0 0 "[ . 1 . 2]" 1
512 1 22 PRO HB2 1 23 GLY H . . 3.300 3.254 2.986 3.305 0.005 2 0 "[ . 1 . 2]" 1
513 1 22 PRO HD2 1 23 GLY H . . 5.000 2.655 2.648 2.721 . 0 0 "[ . 1 . 2]" 1
514 1 22 PRO HA 1 95 ASP HB2 . . 3.300 3.022 2.684 3.131 . 0 0 "[ . 1 . 2]" 1
515 1 22 PRO HA 1 95 ASP HB3 . . 3.300 2.565 2.186 3.025 . 0 0 "[ . 1 . 2]" 1
516 1 22 PRO HA 1 96 THR H . . 5.000 4.981 4.848 5.002 0.002 19 0 "[ . 1 . 2]" 1
517 1 22 PRO HD3 1 96 THR HB . . 5.000 4.409 3.819 4.886 . 0 0 "[ . 1 . 2]" 1
518 1 22 PRO HA 1 97 LYS H . . 5.000 4.810 4.286 5.001 0.001 19 0 "[ . 1 . 2]" 1
519 1 25 LYS H 1 25 LYS QB . . 2.700 2.546 2.346 2.664 . 0 0 "[ . 1 . 2]" 1
520 1 26 LYS H 1 26 LYS QB . . 2.700 2.472 2.086 2.700 0.000 19 0 "[ . 1 . 2]" 1
521 1 28 TYR H 1 28 TYR HD2 . . 3.300 3.302 3.299 3.305 0.005 5 0 "[ . 1 . 2]" 1
522 1 28 TYR HD1 1 32 HIS HE1 . . 5.000 4.115 3.999 5.001 0.001 5 0 "[ . 1 . 2]" 1
523 1 28 TYR HA 1 32 HIS HE1 . . 3.300 2.228 2.125 2.874 . 0 0 "[ . 1 . 2]" 1
524 1 28 TYR HD1 1 32 HIS QB . . 2.700 2.286 2.132 2.378 . 0 0 "[ . 1 . 2]" 1
525 1 28 TYR HA 1 32 HIS QB . . 5.000 4.243 3.703 4.301 . 0 0 "[ . 1 . 2]" 1
526 1 28 TYR HE1 1 80 THR HA . . 3.300 2.928 2.677 3.280 . 0 0 "[ . 1 . 2]" 1
527 1 28 TYR HE1 1 80 THR MG . . 3.300 2.766 2.038 3.299 . 0 0 "[ . 1 . 2]" 1
528 1 28 TYR HD1 1 80 THR MG . . 5.000 3.860 2.938 4.122 . 0 0 "[ . 1 . 2]" 1
529 1 28 TYR HE2 1 83 VAL MG1 . . 5.000 3.149 2.970 3.716 . 0 0 "[ . 1 . 2]" 1
530 1 28 TYR HE2 1 83 VAL MG2 . . 5.000 2.174 2.016 2.713 . 0 0 "[ . 1 . 2]" 1
531 1 28 TYR HE2 1 83 VAL HB . . 5.000 4.062 3.959 4.643 . 0 0 "[ . 1 . 2]" 1
532 1 28 TYR HD2 1 83 VAL HB . . 5.000 4.999 4.992 5.002 0.002 19 0 "[ . 1 . 2]" 1
533 1 28 TYR HE2 1 96 THR H . . 5.000 3.684 3.380 3.866 . 0 0 "[ . 1 . 2]" 1
534 1 28 TYR HE2 1 96 THR HA . . 5.000 3.907 3.626 4.258 . 0 0 "[ . 1 . 2]" 1
535 1 28 TYR HE2 1 96 THR MG . . 5.000 3.927 3.789 4.094 . 0 0 "[ . 1 . 2]" 1
536 1 29 LYS H 1 32 HIS HE1 . . 2.700 2.697 2.626 2.709 0.009 20 0 "[ . 1 . 2]" 1
537 1 29 LYS QB 1 32 HIS HE1 . . 3.300 3.204 3.112 3.401 0.101 20 0 "[ . 1 . 2]" 1
538 1 30 LEU HA 1 30 LEU QD . . 2.700 2.339 1.849 2.649 . 0 0 "[ . 1 . 2]" 1
539 1 30 LEU H 1 30 LEU QD . . 3.300 2.950 2.238 3.274 . 0 0 "[ . 1 . 2]" 1
540 1 30 LEU HA 1 33 ILE MD . . 3.300 2.251 1.994 2.426 . 0 0 "[ . 1 . 2]" 1
541 1 30 LEU QD 1 33 ILE MD . . 5.000 2.127 1.804 2.586 . 0 0 "[ . 1 . 2]" 1
542 1 32 HIS H 1 32 HIS HD2 . . 5.000 3.692 3.513 4.261 . 0 0 "[ . 1 . 2]" 1
543 1 32 HIS HA 1 32 HIS HD2 . . 2.900 2.720 2.667 2.936 0.036 20 0 "[ . 1 . 2]" 1
544 1 32 HIS HA 1 35 TRP HE3 . . 5.000 4.218 4.041 4.502 . 0 0 "[ . 1 . 2]" 1
545 1 33 ILE H 1 33 ILE HB . . 2.700 2.612 2.541 2.634 . 0 0 "[ . 1 . 2]" 1
546 1 33 ILE HB 1 34 VAL H . . 2.700 2.700 2.693 2.703 0.003 18 0 "[ . 1 . 2]" 1
547 1 33 ILE MG 1 34 VAL MG2 . . 5.000 3.446 3.209 3.590 . 0 0 "[ . 1 . 2]" 1
548 1 33 ILE HA 1 80 THR MG . . 5.000 2.766 2.631 3.240 . 0 0 "[ . 1 . 2]" 1
549 1 33 ILE MD 1 84 LEU MD1 . . 5.000 2.870 2.672 3.388 . 0 0 "[ . 1 . 2]" 1
550 1 33 ILE MG 1 84 LEU MD1 . . 5.000 2.386 2.042 3.296 . 0 0 "[ . 1 . 2]" 1
551 1 34 VAL HA 1 34 VAL MG1 . . 2.700 2.337 2.304 2.390 . 0 0 "[ . 1 . 2]" 1
552 1 34 VAL HA 1 34 VAL MG2 . . 2.700 2.326 2.278 2.430 . 0 0 "[ . 1 . 2]" 1
553 1 34 VAL H 1 34 VAL MG2 . . 2.700 2.371 2.224 2.462 . 0 0 "[ . 1 . 2]" 1
554 1 34 VAL H 1 34 VAL HB . . 2.700 2.498 2.495 2.501 . 0 0 "[ . 1 . 2]" 1
555 1 34 VAL HB 1 35 TRP H . . 2.700 2.700 2.699 2.702 0.002 20 0 "[ . 1 . 2]" 1
556 1 35 TRP HE3 1 36 ALA H . . 3.300 2.747 2.711 2.771 . 0 0 "[ . 1 . 2]" 1
557 1 35 TRP HZ2 1 73 GLU HA . . 5.000 3.691 3.276 4.516 . 0 0 "[ . 1 . 2]" 1
558 1 35 TRP HZ2 1 73 GLU QG . . 5.000 3.977 3.059 5.001 0.001 13 0 "[ . 1 . 2]" 1
559 1 35 TRP HH2 1 77 LEU H . . 3.300 3.269 3.222 3.301 0.001 20 0 "[ . 1 . 2]" 1
560 1 35 TRP HZ3 1 77 LEU HA . . 2.700 2.585 2.465 2.700 . 0 0 "[ . 1 . 2]" 1
561 1 35 TRP HZ3 1 77 LEU MD1 . . 5.000 2.776 1.905 2.980 . 0 0 "[ . 1 . 2]" 1
562 1 35 TRP HZ3 1 80 THR H . . 5.000 4.978 4.830 5.001 0.001 17 0 "[ . 1 . 2]" 1
563 1 36 ALA MB 1 37 SER H . . 3.300 2.711 2.564 2.902 . 0 0 "[ . 1 . 2]" 1
564 1 36 ALA HA 1 77 LEU MD1 . . 2.700 2.518 2.316 2.688 . 0 0 "[ . 1 . 2]" 1
565 1 36 ALA MB 1 77 LEU MD1 . . 3.300 2.206 1.995 2.966 . 0 0 "[ . 1 . 2]" 1
566 1 36 ALA MB 1 80 THR MG . . 3.300 2.402 2.230 2.695 . 0 0 "[ . 1 . 2]" 1
567 1 36 ALA MB 1 80 THR HB . . 5.000 2.788 2.664 2.981 . 0 0 "[ . 1 . 2]" 1
568 1 37 SER HA 1 50 LEU MD1 . . 2.700 2.375 1.958 2.698 . 0 0 "[ . 1 . 2]" 1
569 1 37 SER H 1 50 LEU MD1 . . 3.300 3.211 2.818 3.301 0.001 10 0 "[ . 1 . 2]" 1
570 1 39 GLU QB 1 77 LEU MD1 . . 3.300 2.923 2.251 3.262 . 0 0 "[ . 1 . 2]" 1
571 1 40 LEU HA 1 45 VAL HB . . 3.300 3.211 2.971 3.297 . 0 0 "[ . 1 . 2]" 1
572 1 40 LEU MD2 1 45 VAL HB . . 2.700 2.035 1.965 2.608 . 0 0 "[ . 1 . 2]" 1
573 1 40 LEU HA 1 45 VAL MG2 . . 5.000 4.267 4.085 4.354 . 0 0 "[ . 1 . 2]" 1
574 1 40 LEU MD1 1 47 PRO HA . . 2.700 2.338 1.925 2.700 0.000 20 0 "[ . 1 . 2]" 1
575 1 40 LEU MD1 1 47 PRO HB3 . . 5.000 3.720 3.256 4.067 . 0 0 "[ . 1 . 2]" 1
576 1 40 LEU MD1 1 50 LEU HG . . 2.700 2.067 1.923 2.441 . 0 0 "[ . 1 . 2]" 1
577 1 40 LEU MD1 1 50 LEU MD2 . . 3.300 1.967 1.817 2.227 . 0 0 "[ . 1 . 2]" 1
578 1 40 LEU MD1 1 59 ILE MD . . 3.300 2.159 1.981 2.533 . 0 0 "[ . 1 . 2]" 1
579 1 40 LEU MD1 1 59 ILE MG . . 5.000 3.179 2.806 3.539 . 0 0 "[ . 1 . 2]" 1
580 1 40 LEU MD2 1 63 LEU MD1 . . 5.000 3.742 3.258 4.117 . 0 0 "[ . 1 . 2]" 1
581 1 40 LEU H 1 77 LEU MD1 . . 5.000 4.049 3.877 4.340 . 0 0 "[ . 1 . 2]" 1
582 1 40 LEU MD2 1 77 LEU MD1 . . 5.000 2.752 2.005 3.938 . 0 0 "[ . 1 . 2]" 1
583 1 40 LEU MD2 1 77 LEU MD2 . . 5.000 4.400 2.249 4.856 . 0 0 "[ . 1 . 2]" 1
584 1 41 GLU H 1 47 PRO HB3 . . 5.000 4.216 4.067 4.379 . 0 0 "[ . 1 . 2]" 1
585 1 41 GLU H 1 47 PRO HG3 . . 5.000 5.003 5.001 5.004 0.004 14 0 "[ . 1 . 2]" 1
586 1 41 GLU H 1 47 PRO HD3 . . 5.000 3.784 3.742 3.857 . 0 0 "[ . 1 . 2]" 1
587 1 43 PHE H 1 43 PHE HB2 . . 2.700 2.395 2.280 2.577 . 0 0 "[ . 1 . 2]" 1
588 1 43 PHE HB3 1 45 VAL MG2 . . 5.000 3.122 2.866 3.377 . 0 0 "[ . 1 . 2]" 1
589 1 43 PHE HB2 1 45 VAL MG2 . . 5.000 3.080 2.773 3.288 . 0 0 "[ . 1 . 2]" 1
590 1 43 PHE HZ 1 74 LEU HA . . 5.000 4.904 4.598 4.997 . 0 0 "[ . 1 . 2]" 1
591 1 43 PHE HZ 1 74 LEU MD1 . . 5.000 4.458 3.670 4.997 . 0 0 "[ . 1 . 2]" 1
592 1 45 VAL H 1 45 VAL HB . . 2.700 2.624 2.608 2.628 . 0 0 "[ . 1 . 2]" 1
593 1 45 VAL HA 1 45 VAL MG1 . . 2.700 2.353 2.319 2.358 . 0 0 "[ . 1 . 2]" 1
594 1 45 VAL HA 1 45 VAL MG2 . . 2.700 2.432 2.428 2.435 . 0 0 "[ . 1 . 2]" 1
595 1 45 VAL H 1 45 VAL MG2 . . 2.700 2.709 2.705 2.712 0.012 1 0 "[ . 1 . 2]" 1
596 1 45 VAL MG1 1 46 ASN H . . 2.700 2.550 2.014 2.702 0.002 17 0 "[ . 1 . 2]" 1
597 1 45 VAL MG2 1 49 LEU MD1 . . 3.300 3.307 3.300 3.313 0.013 10 0 "[ . 1 . 2]" 1
598 1 45 VAL MG1 1 59 ILE HA . . 5.000 4.161 3.696 4.567 . 0 0 "[ . 1 . 2]" 1
599 1 45 VAL MG1 1 59 ILE MG . . 5.000 3.457 3.015 3.852 . 0 0 "[ . 1 . 2]" 1
600 1 45 VAL MG2 1 62 GLN QB . . 5.000 4.612 4.194 4.920 . 0 0 "[ . 1 . 2]" 1
601 1 46 ASN HA 1 48 GLY H . . 5.000 3.797 3.768 3.846 . 0 0 "[ . 1 . 2]" 1
602 1 46 ASN QB 1 48 GLY H . . 5.000 2.346 2.220 2.519 . 0 0 "[ . 1 . 2]" 1
603 1 46 ASN QB 1 49 LEU MD1 . . 5.000 3.477 3.149 3.756 . 0 0 "[ . 1 . 2]" 1
604 1 46 ASN H 1 49 LEU MD1 . . 5.000 2.992 2.633 3.262 . 0 0 "[ . 1 . 2]" 1
605 1 46 ASN QB 1 49 LEU H . . 5.000 3.668 3.154 3.935 . 0 0 "[ . 1 . 2]" 1
606 1 47 PRO HD2 1 48 GLY H . . 2.900 2.810 2.735 2.839 . 0 0 "[ . 1 . 2]" 1
607 1 49 LEU H 1 49 LEU HG . . 2.700 2.418 2.139 2.704 0.004 11 0 "[ . 1 . 2]" 1
608 1 49 LEU HA 1 49 LEU HG . . 3.300 3.253 3.184 3.301 0.001 18 0 "[ . 1 . 2]" 1
609 1 49 LEU HA 1 49 LEU MD2 . . 2.700 2.126 1.995 2.283 . 0 0 "[ . 1 . 2]" 1
610 1 49 LEU H 1 49 LEU HB2 . . 2.700 2.517 2.446 2.611 . 0 0 "[ . 1 . 2]" 1
611 1 49 LEU HA 1 55 GLY HA3 . . 3.300 2.830 2.263 3.094 . 0 0 "[ . 1 . 2]" 1
612 1 49 LEU MD2 1 55 GLY HA3 . . 3.300 2.792 2.283 3.211 . 0 0 "[ . 1 . 2]" 1
613 1 49 LEU MD2 1 55 GLY HA2 . . 3.300 3.076 2.355 3.301 0.001 7 0 "[ . 1 . 2]" 1
614 1 50 LEU HA 1 50 LEU MD2 . . 2.700 2.277 1.987 2.661 . 0 0 "[ . 1 . 2]" 1
615 1 50 LEU H 1 50 LEU HG . . 2.700 2.477 2.069 2.700 0.000 11 0 "[ . 1 . 2]" 1
616 1 50 LEU HA 1 50 LEU HG . . 3.300 2.977 2.568 3.198 . 0 0 "[ . 1 . 2]" 1
617 1 50 LEU MD2 1 56 CYS HA . . 5.000 3.565 2.774 4.627 . 0 0 "[ . 1 . 2]" 1
618 1 50 LEU HA 1 56 CYS HA . . 5.000 3.807 3.473 4.192 . 0 0 "[ . 1 . 2]" 1
619 1 50 LEU HA 1 59 ILE MD . . 3.300 3.299 3.295 3.301 0.001 17 0 "[ . 1 . 2]" 1
620 1 50 LEU HG 1 59 ILE MD . . 5.000 3.035 2.824 3.468 . 0 0 "[ . 1 . 2]" 1
621 1 50 LEU MD2 1 59 ILE MD . . 3.300 2.252 1.758 3.299 . 0 0 "[ . 1 . 2]" 1
622 1 50 LEU MD2 1 84 LEU MD2 . . 3.300 2.601 1.896 3.244 . 0 0 "[ . 1 . 2]" 1
623 1 50 LEU MD1 1 84 LEU MD2 . . 5.000 3.464 2.893 4.569 . 0 0 "[ . 1 . 2]" 1
624 1 51 GLU QG 1 52 THR MG . . 3.300 2.318 1.868 3.246 . 0 0 "[ . 1 . 2]" 1
625 1 52 THR H 1 52 THR MG . . 2.700 2.623 2.271 2.706 0.006 17 0 "[ . 1 . 2]" 1
626 1 52 THR MG 1 55 GLY H . . 5.000 3.701 2.236 3.955 . 0 0 "[ . 1 . 2]" 1
627 1 52 THR HA 1 88 HIS HD2 . . 5.000 4.481 4.090 4.871 . 0 0 "[ . 1 . 2]" 1
628 1 53 SER HA 1 85 TYR QD . . 3.300 3.221 3.003 3.296 . 0 0 "[ . 1 . 2]" 1
629 1 53 SER HA 1 85 TYR QE . . 5.000 3.881 3.197 4.222 . 0 0 "[ . 1 . 2]" 1
630 1 53 SER QB 1 85 TYR QD . . 5.000 4.363 3.880 4.955 . 0 0 "[ . 1 . 2]" 1
631 1 53 SER QB 1 85 TYR QE . . 5.000 3.923 3.071 4.446 . 0 0 "[ . 1 . 2]" 1
632 1 53 SER HA 1 88 HIS HB2 . . 3.300 2.792 2.439 3.290 . 0 0 "[ . 1 . 2]" 1
633 1 53 SER HA 1 88 HIS HB3 . . 5.000 2.879 2.393 3.502 . 0 0 "[ . 1 . 2]" 1
634 1 53 SER HA 1 88 HIS HD2 . . 3.300 2.929 2.652 3.300 . 0 0 "[ . 1 . 2]" 1
635 1 53 SER H 1 88 HIS HD2 . . 5.000 4.067 3.668 4.388 . 0 0 "[ . 1 . 2]" 1
636 1 53 SER H 1 88 HIS HB3 . . 3.300 3.297 3.278 3.301 0.001 1 0 "[ . 1 . 2]" 1
637 1 56 CYS HB2 1 85 TYR QD . . 2.700 2.354 2.000 2.697 . 0 0 "[ . 1 . 2]" 1
638 1 56 CYS HB3 1 85 TYR H . . 5.000 4.396 3.997 4.789 . 0 0 "[ . 1 . 2]" 1
639 1 56 CYS HB2 1 88 HIS HD2 . . 5.000 3.462 2.802 4.104 . 0 0 "[ . 1 . 2]" 1
640 1 57 ARG H 1 85 TYR QD . . 3.300 3.258 3.075 3.296 . 0 0 "[ . 1 . 2]" 1
641 1 57 ARG H 1 85 TYR QE . . 5.000 3.364 3.257 3.528 . 0 0 "[ . 1 . 2]" 1
642 1 57 ARG HA 1 85 TYR QD . . 5.000 4.078 3.711 4.345 . 0 0 "[ . 1 . 2]" 1
643 1 57 ARG HA 1 85 TYR QE . . 5.000 3.877 3.590 4.210 . 0 0 "[ . 1 . 2]" 1
644 1 59 ILE H 1 59 ILE MD . . 5.000 3.295 2.826 3.470 . 0 0 "[ . 1 . 2]" 1
645 1 59 ILE H 1 59 ILE HB . . 2.700 2.551 2.510 2.604 . 0 0 "[ . 1 . 2]" 1
646 1 59 ILE MG 1 60 LEU H . . 5.000 3.395 3.084 3.529 . 0 0 "[ . 1 . 2]" 1
647 1 59 ILE HB 1 60 LEU H . . 2.700 2.534 2.124 2.700 0.000 20 0 "[ . 1 . 2]" 1
648 1 59 ILE MG 1 63 LEU MD1 . . 3.300 2.196 1.958 2.469 . 0 0 "[ . 1 . 2]" 1
649 1 59 ILE MG 1 63 LEU HG . . 3.300 2.869 2.518 3.162 . 0 0 "[ . 1 . 2]" 1
650 1 60 LEU HA 1 60 LEU MD2 . . 2.700 2.325 2.193 2.531 . 0 0 "[ . 1 . 2]" 1
651 1 60 LEU H 1 60 LEU HG . . 2.700 2.272 2.017 2.433 . 0 0 "[ . 1 . 2]" 1
652 1 60 LEU HB2 1 61 GLY H . . 3.300 2.938 2.741 2.963 . 0 0 "[ . 1 . 2]" 1
653 1 60 LEU HA 1 63 LEU MD1 . . 3.300 2.979 2.325 3.292 . 0 0 "[ . 1 . 2]" 1
654 1 60 LEU HA 1 78 TYR HE1 . . 3.300 2.678 2.337 3.145 . 0 0 "[ . 1 . 2]" 1
655 1 60 LEU HA 1 78 TYR HD1 . . 3.300 2.951 2.436 3.217 . 0 0 "[ . 1 . 2]" 1
656 1 60 LEU MD2 1 78 TYR HE1 . . 5.000 2.560 2.345 2.923 . 0 0 "[ . 1 . 2]" 1
657 1 60 LEU MD2 1 78 TYR HD1 . . 5.000 2.449 2.271 2.680 . 0 0 "[ . 1 . 2]" 1
658 1 60 LEU MD2 1 78 TYR HA . . 5.000 2.640 2.339 2.939 . 0 0 "[ . 1 . 2]" 1
659 1 60 LEU MD2 1 81 ILE MG . . 3.300 1.964 1.884 2.176 . 0 0 "[ . 1 . 2]" 1
660 1 60 LEU MD2 1 81 ILE HB . . 3.300 2.221 2.077 2.421 . 0 0 "[ . 1 . 2]" 1
661 1 60 LEU H 1 81 ILE MG . . 5.000 3.248 2.986 3.446 . 0 0 "[ . 1 . 2]" 1
662 1 60 LEU MD2 1 82 ALA HA . . 5.000 2.878 2.440 3.244 . 0 0 "[ . 1 . 2]" 1
663 1 60 LEU MD1 1 82 ALA HA . . 3.300 2.909 2.236 3.129 . 0 0 "[ . 1 . 2]" 1
664 1 60 LEU MD2 1 82 ALA H . . 3.300 3.267 2.875 3.300 0.000 19 0 "[ . 1 . 2]" 1
665 1 60 LEU MD2 1 82 ALA MB . . 5.000 3.024 2.629 3.277 . 0 0 "[ . 1 . 2]" 1
666 1 60 LEU MD1 1 82 ALA MB . . 5.000 3.766 3.267 3.996 . 0 0 "[ . 1 . 2]" 1
667 1 60 LEU MD1 1 85 TYR HB2 . . 5.000 2.656 2.230 3.005 . 0 0 "[ . 1 . 2]" 1
668 1 60 LEU MD1 1 85 TYR HB3 . . 5.000 2.945 2.555 3.247 . 0 0 "[ . 1 . 2]" 1
669 1 60 LEU MD1 1 103 ILE MD . . 5.000 2.350 1.811 2.736 . 0 0 "[ . 1 . 2]" 1
670 1 63 LEU HA 1 63 LEU HG . . 3.300 3.149 2.816 3.294 . 0 0 "[ . 1 . 2]" 1
671 1 63 LEU HA 1 63 LEU MD2 . . 2.700 2.091 1.970 2.294 . 0 0 "[ . 1 . 2]" 1
672 1 63 LEU HA 1 74 LEU MD1 . . 5.000 3.135 2.430 4.047 . 0 0 "[ . 1 . 2]" 1
673 1 63 LEU MD2 1 74 LEU MD1 . . 5.000 2.311 1.919 2.930 . 0 0 "[ . 1 . 2]" 1
674 1 63 LEU MD1 1 77 LEU MD2 . . 5.000 4.027 2.366 4.227 . 0 0 "[ . 1 . 2]" 1
675 1 63 LEU MD2 1 77 LEU MD2 . . 5.000 4.314 2.474 4.848 . 0 0 "[ . 1 . 2]" 1
676 1 63 LEU MD1 1 77 LEU HG . . 3.300 3.153 2.880 3.297 . 0 0 "[ . 1 . 2]" 1
677 1 63 LEU MD1 1 78 TYR H . . 5.000 2.796 2.508 3.141 . 0 0 "[ . 1 . 2]" 1
678 1 63 LEU MD1 1 78 TYR HA . . 3.300 2.783 2.622 3.129 . 0 0 "[ . 1 . 2]" 1
679 1 63 LEU MD1 1 78 TYR HD1 . . 3.300 2.537 2.149 2.944 . 0 0 "[ . 1 . 2]" 1
680 1 63 LEU MD1 1 81 ILE MD . . 3.300 1.915 1.796 2.272 . 0 0 "[ . 1 . 2]" 1
681 1 64 GLN H 1 65 PRO HD2 . . 3.300 2.209 2.191 2.211 . 0 0 "[ . 1 . 2]" 1
682 1 64 GLN H 1 65 PRO HD3 . . 3.300 3.262 3.248 3.264 . 0 0 "[ . 1 . 2]" 1
683 1 64 GLN QG 1 78 TYR HE1 . . 5.000 2.379 1.991 3.032 . 0 0 "[ . 1 . 2]" 1
684 1 64 GLN QB 1 78 TYR HE1 . . 5.000 3.831 3.516 4.080 . 0 0 "[ . 1 . 2]" 1
685 1 64 GLN H 1 78 TYR HE1 . . 5.000 3.359 3.086 3.713 . 0 0 "[ . 1 . 2]" 1
686 1 64 GLN H 1 78 TYR HD1 . . 5.000 4.322 3.843 4.667 . 0 0 "[ . 1 . 2]" 1
687 1 64 GLN HA 1 78 TYR HE1 . . 3.300 3.289 3.219 3.301 0.001 20 0 "[ . 1 . 2]" 1
688 1 64 GLN HA 1 78 TYR HD1 . . 5.000 4.484 4.168 4.753 . 0 0 "[ . 1 . 2]" 1
689 1 65 PRO HD2 1 66 SER H . . 3.300 2.726 2.704 2.732 . 0 0 "[ . 1 . 2]" 1
690 1 66 SER QB 1 74 LEU MD1 . . 5.000 2.023 1.775 2.351 . 0 0 "[ . 1 . 2]" 1
691 1 66 SER QB 1 74 LEU MD2 . . 5.000 2.495 1.890 4.497 . 0 0 "[ . 1 . 2]" 1
692 1 67 LEU H 1 67 LEU HG . . 3.300 3.071 2.548 3.300 0.000 7 0 "[ . 1 . 2]" 1
693 1 67 LEU H 1 67 LEU HB2 . . 2.700 2.209 2.129 2.386 . 0 0 "[ . 1 . 2]" 1
694 1 67 LEU HA 1 67 LEU MD2 . . 2.700 2.318 2.037 2.660 . 0 0 "[ . 1 . 2]" 1
695 1 67 LEU HB2 1 68 GLN H . . 3.300 2.959 2.804 3.099 . 0 0 "[ . 1 . 2]" 1
696 1 67 LEU HA 1 74 LEU MD2 . . 2.700 2.323 1.962 2.675 . 0 0 "[ . 1 . 2]" 1
697 1 67 LEU MD2 1 74 LEU MD2 . . 3.300 2.624 2.060 3.294 . 0 0 "[ . 1 . 2]" 1
698 1 67 LEU MD2 1 75 ARG HA . . 3.300 2.958 2.532 3.293 . 0 0 "[ . 1 . 2]" 1
699 1 67 LEU MD2 1 75 ARG QG . . 3.300 2.931 2.554 3.260 . 0 0 "[ . 1 . 2]" 1
700 1 67 LEU HG 1 78 TYR HD1 . . 5.000 4.533 4.120 4.707 . 0 0 "[ . 1 . 2]" 1
701 1 67 LEU HG 1 78 TYR HE1 . . 5.000 4.926 4.746 5.000 0.000 1 0 "[ . 1 . 2]" 1
702 1 67 LEU MD1 1 78 TYR QE . . 2.700 2.662 2.453 2.700 . 0 0 "[ . 1 . 2]" 1
703 1 67 LEU MD2 1 78 TYR QD . . 2.700 2.685 2.524 2.700 0.000 17 0 "[ . 1 . 2]" 1
704 1 67 LEU MD2 1 78 TYR HB2 . . 3.300 2.959 2.579 3.144 . 0 0 "[ . 1 . 2]" 1
705 1 67 LEU MD2 1 78 TYR HB3 . . 3.300 2.943 2.623 3.197 . 0 0 "[ . 1 . 2]" 1
706 1 68 GLN HB3 1 69 THR H . . 2.700 2.496 2.284 2.701 0.001 18 0 "[ . 1 . 2]" 1
707 1 70 GLY HA3 1 74 LEU MD2 . . 3.300 2.506 1.963 2.976 . 0 0 "[ . 1 . 2]" 1
708 1 70 GLY HA2 1 74 LEU MD2 . . 5.000 3.765 2.971 4.436 . 0 0 "[ . 1 . 2]" 1
709 1 71 SER H 1 71 SER HB3 . . 3.300 2.726 2.168 3.301 0.001 18 0 "[ . 1 . 2]" 1
710 1 71 SER HB2 1 72 GLU H . . 2.700 2.195 1.962 2.701 0.001 18 0 "[ . 1 . 2]" 1
711 1 71 SER H 1 74 LEU MD2 . . 5.000 4.282 2.939 4.974 . 0 0 "[ . 1 . 2]" 1
712 1 71 SER H 1 74 LEU QB . . 5.000 2.673 1.949 4.796 . 0 0 "[ . 1 . 2]" 1
713 1 74 LEU H 1 74 LEU QB . . 2.700 2.198 2.048 2.534 . 0 0 "[ . 1 . 2]" 1
714 1 74 LEU HG 1 78 TYR H . . 5.000 4.678 4.139 4.999 . 0 0 "[ . 1 . 2]" 1
715 1 77 LEU HA 1 77 LEU MD1 . . 2.700 2.085 2.047 2.287 . 0 0 "[ . 1 . 2]" 1
716 1 77 LEU HB2 1 78 TYR H . . 2.700 2.701 2.694 2.706 0.006 18 0 "[ . 1 . 2]" 1
717 1 77 LEU HB3 1 78 TYR H . . 2.700 2.697 2.648 2.706 0.006 18 0 "[ . 1 . 2]" 1
718 1 77 LEU HG 1 81 ILE MD . . 3.300 3.231 1.977 3.302 0.002 18 0 "[ . 1 . 2]" 1
719 1 77 LEU MD1 1 81 ILE MD . . 3.300 1.993 1.852 3.301 0.001 6 0 "[ . 1 . 2]" 1
720 1 78 TYR HD2 1 82 ALA MB . . 5.000 4.238 3.920 4.758 . 0 0 "[ . 1 . 2]" 1
721 1 78 TYR HE2 1 82 ALA MB . . 5.000 4.564 4.103 4.998 . 0 0 "[ . 1 . 2]" 1
722 1 78 TYR HE2 1 100 LEU MD2 . . 3.300 2.357 2.000 2.870 . 0 0 "[ . 1 . 2]" 1
723 1 78 TYR HD2 1 100 LEU MD2 . . 3.300 2.164 1.938 3.120 . 0 0 "[ . 1 . 2]" 1
724 1 79 ASN HA 1 96 THR MG . . 5.000 2.189 1.987 2.345 . 0 0 "[ . 1 . 2]" 1
725 1 79 ASN QB 1 96 THR MG . . 3.300 2.411 1.964 2.677 . 0 0 "[ . 1 . 2]" 1
726 1 79 ASN HA 1 100 LEU MD2 . . 3.300 3.166 2.768 3.298 . 0 0 "[ . 1 . 2]" 1
727 1 80 THR HA 1 80 THR MG . . 2.700 2.378 2.218 2.406 . 0 0 "[ . 1 . 2]" 1
728 1 80 THR H 1 80 THR HB . . 2.700 2.614 2.543 2.700 . 0 0 "[ . 1 . 2]" 1
729 1 80 THR HB 1 81 ILE H . . 2.700 2.322 2.182 2.384 . 0 0 "[ . 1 . 2]" 1
730 1 81 ILE HA 1 81 ILE MG . . 2.700 2.380 2.354 2.394 . 0 0 "[ . 1 . 2]" 1
731 1 81 ILE H 1 81 ILE HB . . 2.700 2.600 2.579 2.617 . 0 0 "[ . 1 . 2]" 1
732 1 81 ILE HB 1 82 ALA H . . 3.300 2.913 2.721 3.001 . 0 0 "[ . 1 . 2]" 1
733 1 82 ALA MB 1 99 ALA MB . . 5.000 2.248 1.894 2.657 . 0 0 "[ . 1 . 2]" 1
734 1 82 ALA MB 1 100 LEU HA . . 5.000 3.376 2.941 3.792 . 0 0 "[ . 1 . 2]" 1
735 1 82 ALA MB 1 100 LEU MD2 . . 2.700 2.281 1.879 2.653 . 0 0 "[ . 1 . 2]" 1
736 1 82 ALA HA 1 103 ILE MD . . 2.700 2.527 2.197 2.694 . 0 0 "[ . 1 . 2]" 1
737 1 82 ALA MB 1 103 ILE MD . . 3.300 2.516 2.255 3.094 . 0 0 "[ . 1 . 2]" 1
738 1 83 VAL H 1 83 VAL HB . . 2.700 2.609 2.536 2.676 . 0 0 "[ . 1 . 2]" 1
739 1 83 VAL H 1 83 VAL MG2 . . 3.300 2.205 2.124 2.384 . 0 0 "[ . 1 . 2]" 1
740 1 83 VAL HA 1 83 VAL MG2 . . 2.700 2.314 2.282 2.379 . 0 0 "[ . 1 . 2]" 1
741 1 83 VAL HA 1 83 VAL MG1 . . 2.700 2.384 2.324 2.397 . 0 0 "[ . 1 . 2]" 1
742 1 83 VAL HB 1 84 LEU H . . 2.700 2.697 2.676 2.702 0.002 19 0 "[ . 1 . 2]" 1
743 1 83 VAL MG1 1 87 VAL MG2 . . 5.000 2.866 2.285 3.112 . 0 0 "[ . 1 . 2]" 1
744 1 83 VAL MG1 1 93 VAL MG2 . . 5.000 2.793 2.283 2.993 . 0 0 "[ . 1 . 2]" 1
745 1 83 VAL HA 1 93 VAL MG2 . . 5.000 3.073 2.833 3.292 . 0 0 "[ . 1 . 2]" 1
746 1 83 VAL MG2 1 96 THR HA . . 2.700 2.021 1.920 2.323 . 0 0 "[ . 1 . 2]" 1
747 1 83 VAL MG2 1 99 ALA MB . . 3.300 2.580 2.399 2.725 . 0 0 "[ . 1 . 2]" 1
748 1 83 VAL H 1 99 ALA MB . . 5.000 3.546 3.252 3.923 . 0 0 "[ . 1 . 2]" 1
749 1 83 VAL HA 1 99 ALA MB . . 2.700 2.605 2.307 2.700 0.000 5 0 "[ . 1 . 2]" 1
750 1 84 LEU HA 1 84 LEU MD1 . . 3.300 2.740 2.046 3.300 0.000 13 0 "[ . 1 . 2]" 1
751 1 84 LEU H 1 84 LEU HB2 . . 2.700 2.246 2.044 2.356 . 0 0 "[ . 1 . 2]" 1
752 1 84 LEU HB3 1 85 TYR H . . 3.300 2.399 2.256 2.812 . 0 0 "[ . 1 . 2]" 1
753 1 84 LEU HG 1 87 VAL MG1 . . 5.000 4.729 4.455 4.999 . 0 0 "[ . 1 . 2]" 1
754 1 84 LEU HG 1 88 HIS HD2 . . 5.000 4.465 3.529 4.999 . 0 0 "[ . 1 . 2]" 1
755 1 84 LEU MD2 1 88 HIS HD2 . . 5.000 3.268 2.625 3.858 . 0 0 "[ . 1 . 2]" 1
756 1 84 LEU MD2 1 88 HIS HE1 . . 5.000 3.899 3.420 4.354 . 0 0 "[ . 1 . 2]" 1
757 1 85 TYR H 1 85 TYR HB2 . . 2.700 2.612 2.572 2.700 . 0 0 "[ . 1 . 2]" 1
758 1 85 TYR H 1 85 TYR HB3 . . 2.700 2.453 2.384 2.491 . 0 0 "[ . 1 . 2]" 1
759 1 85 TYR HB3 1 86 CYS H . . 2.700 2.489 2.382 2.667 . 0 0 "[ . 1 . 2]" 1
760 1 85 TYR QD 1 86 CYS H . . 3.300 3.163 2.922 3.268 . 0 0 "[ . 1 . 2]" 1
761 1 85 TYR HA 1 88 HIS HD2 . . 3.300 3.243 3.002 3.301 0.001 5 0 "[ . 1 . 2]" 1
762 1 85 TYR QD 1 89 GLN H . . 5.000 4.913 4.683 5.001 0.001 18 0 "[ . 1 . 2]" 1
763 1 85 TYR QD 1 103 ILE MD . . 2.700 2.345 1.987 2.677 . 0 0 "[ . 1 . 2]" 1
764 1 86 CYS HB3 1 91 ILE HB . . 2.700 2.122 1.999 2.654 . 0 0 "[ . 1 . 2]" 1
765 1 86 CYS HA 1 91 ILE HB . . 2.700 2.669 2.563 2.700 0.000 10 0 "[ . 1 . 2]" 1
766 1 86 CYS HB3 1 91 ILE H . . 5.000 4.178 4.076 4.431 . 0 0 "[ . 1 . 2]" 1
767 1 86 CYS HA 1 91 ILE H . . 5.000 3.847 3.639 4.174 . 0 0 "[ . 1 . 2]" 1
768 1 86 CYS HB3 1 91 ILE MD . . 5.000 3.476 3.137 3.968 . 0 0 "[ . 1 . 2]" 1
769 1 86 CYS HA 1 91 ILE MD . . 3.300 2.349 1.984 2.736 . 0 0 "[ . 1 . 2]" 1
770 1 86 CYS HB3 1 91 ILE MG . . 5.000 2.688 2.446 3.326 . 0 0 "[ . 1 . 2]" 1
771 1 86 CYS HB3 1 93 VAL MG1 . . 3.300 3.132 2.440 3.301 0.001 2 0 "[ . 1 . 2]" 1
772 1 86 CYS HB2 1 99 ALA MB . . 5.000 3.111 2.658 3.430 . 0 0 "[ . 1 . 2]" 1
773 1 86 CYS HA 1 103 ILE MD . . 5.000 4.602 4.153 4.978 . 0 0 "[ . 1 . 2]" 1
774 1 86 CYS H 1 103 ILE MD . . 5.000 3.860 3.319 4.293 . 0 0 "[ . 1 . 2]" 1
775 1 87 VAL HA 1 87 VAL MG1 . . 2.700 2.280 2.218 2.389 . 0 0 "[ . 1 . 2]" 1
776 1 87 VAL HA 1 87 VAL MG2 . . 2.700 2.385 2.352 2.435 . 0 0 "[ . 1 . 2]" 1
777 1 87 VAL H 1 87 VAL MG2 . . 2.700 2.202 2.083 2.279 . 0 0 "[ . 1 . 2]" 1
778 1 87 VAL H 1 87 VAL HB . . 2.700 2.580 2.506 2.653 . 0 0 "[ . 1 . 2]" 1
779 1 87 VAL HB 1 88 HIS H . . 2.700 2.561 2.428 2.694 . 0 0 "[ . 1 . 2]" 1
780 1 88 HIS HB2 1 88 HIS HD2 . . 3.300 2.819 2.760 2.860 . 0 0 "[ . 1 . 2]" 1
781 1 89 GLN HB3 1 91 ILE MD . . 3.300 2.566 1.989 2.983 . 0 0 "[ . 1 . 2]" 1
782 1 91 ILE H 1 91 ILE HB . . 2.700 2.630 2.560 2.692 . 0 0 "[ . 1 . 2]" 1
783 1 91 ILE H 1 91 ILE MD . . 5.000 2.898 2.016 3.905 . 0 0 "[ . 1 . 2]" 1
784 1 91 ILE MG 1 92 ASP H . . 2.700 2.565 2.050 2.700 . 0 0 "[ . 1 . 2]" 1
785 1 91 ILE MG 1 93 VAL QG . . 5.000 1.969 1.758 2.625 . 0 0 "[ . 1 . 2]" 1
786 1 91 ILE MG 1 102 LYS QB . . 5.000 2.870 2.429 3.521 . 0 0 "[ . 1 . 2]" 1
787 1 93 VAL H 1 93 VAL MG1 . . 3.300 2.541 2.181 3.106 . 0 0 "[ . 1 . 2]" 1
788 1 93 VAL H 1 93 VAL MG2 . . 3.300 2.184 2.000 2.345 . 0 0 "[ . 1 . 2]" 1
789 1 93 VAL HA 1 93 VAL HB . . 2.700 2.463 2.419 2.520 . 0 0 "[ . 1 . 2]" 1
790 1 93 VAL HB 1 94 LYS H . . 3.300 2.338 1.967 2.764 . 0 0 "[ . 1 . 2]" 1
791 1 93 VAL HB 1 95 ASP H . . 3.300 2.734 2.595 3.299 . 0 0 "[ . 1 . 2]" 1
792 1 93 VAL HB 1 99 ALA MB . . 5.000 3.431 3.090 3.843 . 0 0 "[ . 1 . 2]" 1
793 1 93 VAL HB 1 99 ALA H . . 3.300 3.190 2.932 3.297 . 0 0 "[ . 1 . 2]" 1
794 1 93 VAL HB 1 99 ALA HA . . 5.000 3.952 3.682 4.310 . 0 0 "[ . 1 . 2]" 1
795 1 93 VAL MG1 1 99 ALA HA . . 2.700 2.069 1.934 2.255 . 0 0 "[ . 1 . 2]" 1
796 1 95 ASP HA 1 95 ASP HB2 . . 2.700 2.593 2.536 2.630 . 0 0 "[ . 1 . 2]" 1
797 1 95 ASP HA 1 95 ASP HB3 . . 2.700 2.336 2.310 2.379 . 0 0 "[ . 1 . 2]" 1
798 1 95 ASP HB2 1 97 LYS H . . 3.300 2.534 2.396 2.891 . 0 0 "[ . 1 . 2]" 1
799 1 95 ASP HB2 1 98 GLU H . . 5.000 3.803 3.441 4.077 . 0 0 "[ . 1 . 2]" 1
800 1 96 THR H 1 96 THR HB . . 3.300 2.565 2.496 2.688 . 0 0 "[ . 1 . 2]" 1
801 1 96 THR HB 1 97 LYS H . . 3.300 2.896 2.492 2.996 . 0 0 "[ . 1 . 2]" 1
802 1 100 LEU HA 1 100 LEU MD2 . . 2.700 2.195 1.970 2.492 . 0 0 "[ . 1 . 2]" 1
803 1 8 SER H 1 11 GLU OE1 . . 2.000 2.160 1.880 3.753 1.753 6 2 "[ .+ 1 - . 2]" 1
804 1 8 SER N 1 11 GLU OE1 . . 3.000 3.119 2.820 4.727 1.727 6 2 "[ .+ 1 - . 2]" 1
805 1 28 TYR OH 1 96 THR HG1 . . 2.000 1.993 1.965 2.001 0.001 13 0 "[ . 1 . 2]" 1
806 1 28 TYR OH 1 96 THR OG1 . . 3.000 2.755 2.706 2.798 . 0 0 "[ . 1 . 2]" 1
807 1 29 LYS H 1 32 HIS ND1 . . 2.000 2.002 1.967 2.010 0.010 19 0 "[ . 1 . 2]" 1
808 1 29 LYS N 1 32 HIS ND1 . . 3.000 2.945 2.892 2.950 . 0 0 "[ . 1 . 2]" 1
809 1 95 ASP OD1 1 98 GLU H . . 2.000 2.091 1.801 3.871 1.871 7 2 "[ . + 1 . -]" 1
810 1 95 ASP OD1 1 98 GLU N . . 3.000 2.999 2.750 4.685 1.685 7 2 "[ . + 1 . -]" 1
811 1 52 THR OG1 1 55 GLY H . . 2.000 1.994 1.967 2.004 0.004 6 0 "[ . 1 . 2]" 1
812 1 52 THR OG1 1 55 GLY N . . 3.000 2.833 2.748 2.978 . 0 0 "[ . 1 . 2]" 1
813 1 11 GLU OE2 1 88 HIS HD1 . . 2.000 2.123 1.943 3.320 1.320 6 2 "[ .+ 1 - . 2]" 1
814 1 11 GLU OE2 1 88 HIS ND1 . . 3.000 2.966 2.800 4.068 1.068 6 2 "[ .+ 1 - . 2]" 1
815 1 50 LEU O 1 88 HIS HE2 . . 2.000 1.999 1.991 2.001 0.001 9 0 "[ . 1 . 2]" 1
816 1 50 LEU O 1 88 HIS NE2 . . 3.000 2.830 2.799 2.999 . 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 29
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 10.782
_Distance_constraint_stats_list.Viol_max 0.085
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0063
_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 20 LEU 0.008 0.002 2 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.161 0.085 9 0 "[ . 1 . 2]"
1 28 TYR 0.004 0.002 2 0 "[ . 1 . 2]"
1 32 HIS 0.010 0.003 20 0 "[ . 1 . 2]"
1 35 TRP 0.026 0.005 20 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 PBU 0.539 0.085 9 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 3 1 PBU H2' 3 1 PBU H81 . . 2.700 2.708 2.706 2.713 0.013 13 0 "[ . 1 . 2]" 2
2 3 1 PBU H2' 3 1 PBU H82 . . 2.700 2.708 2.706 2.710 0.010 13 0 "[ . 1 . 2]" 2
3 1 20 LEU MD2 3 1 PBU C10 . . 3.800 3.218 2.507 3.799 . 0 0 "[ . 1 . 2]" 2
4 1 28 TYR HE1 3 1 PBU C10 . . 3.800 3.764 3.515 3.802 0.002 2 0 "[ . 1 . 2]" 2
5 1 76 SER QB 3 1 PBU C10 . . 5.500 3.800 3.516 3.953 . 0 0 "[ . 1 . 2]" 2
6 1 35 TRP HD1 3 1 PBU H2' . . 5.000 4.675 4.585 4.725 . 0 0 "[ . 1 . 2]" 2
7 1 35 TRP HE1 3 1 PBU H2' . . 5.000 5.001 4.997 5.005 0.005 20 0 "[ . 1 . 2]" 2
8 1 32 HIS HD2 3 1 PBU H2' . . 5.000 2.953 2.675 3.061 . 0 0 "[ . 1 . 2]" 2
9 1 35 TRP HD1 3 1 PBU C1' . . 5.500 3.020 2.937 3.165 . 0 0 "[ . 1 . 2]" 2
10 1 32 HIS HD2 3 1 PBU H1'1 . . 3.300 3.287 3.051 3.303 0.003 20 0 "[ . 1 . 2]" 2
11 1 32 HIS HD2 3 1 PBU H1'2 . . 3.300 3.281 3.234 3.300 0.000 20 0 "[ . 1 . 2]" 2
12 1 28 TYR HE1 3 1 PBU C8 . . 5.500 5.415 5.274 5.499 . 0 0 "[ . 1 . 2]" 2
13 1 35 TRP HE3 3 1 PBU C8 . . 5.500 4.564 4.342 4.728 . 0 0 "[ . 1 . 2]" 2
14 1 35 TRP HZ3 3 1 PBU C8 . . 5.500 5.001 4.693 5.116 . 0 0 "[ . 1 . 2]" 2
15 1 20 LEU MD1 3 1 PBU H1 . . 3.300 3.293 3.184 3.302 0.002 10 0 "[ . 1 . 2]" 2
16 1 20 LEU MD2 3 1 PBU H1 . . 5.000 4.370 3.903 4.927 . 0 0 "[ . 1 . 2]" 2
17 1 20 LEU MD1 3 1 PBU H2 . . 5.000 3.781 3.131 4.061 . 0 0 "[ . 1 . 2]" 2
18 1 26 LYS QE 3 1 PBU H2 . . 3.300 2.965 2.245 3.302 0.002 2 0 "[ . 1 . 2]" 2
19 1 26 LYS QD 3 1 PBU H2 . . 3.300 3.263 3.089 3.302 0.002 13 0 "[ . 1 . 2]" 2
20 1 20 LEU MD1 3 1 PBU H3 . . 3.300 2.713 2.423 3.302 0.002 2 0 "[ . 1 . 2]" 2
21 1 20 LEU MD2 3 1 PBU H3 . . 5.000 4.496 4.082 5.002 0.002 2 0 "[ . 1 . 2]" 2
22 1 20 LEU MD1 3 1 PBU H5 . . 5.000 3.722 3.355 4.229 . 0 0 "[ . 1 . 2]" 2
23 1 20 LEU MD2 3 1 PBU H5 . . 5.000 4.508 3.805 4.955 . 0 0 "[ . 1 . 2]" 2
24 1 26 LYS QD 3 1 PBU H1 . . 5.000 4.339 3.773 5.085 0.085 9 0 "[ . 1 . 2]" 2
25 1 26 LYS QE 3 1 PBU H1 . . 5.000 4.215 3.355 4.804 . 0 0 "[ . 1 . 2]" 2
26 1 26 LYS QZ 3 1 PBU OP2 . . 3.000 2.305 2.118 2.771 . 0 0 "[ . 1 . 2]" 2
27 1 26 LYS QZ 3 1 PBU OP3 . . 3.000 2.863 2.842 2.891 . 0 0 "[ . 1 . 2]" 2
28 1 21 ARG HE 3 1 PBU O41 . . 3.000 2.497 1.854 2.978 . 0 0 "[ . 1 . 2]" 2
29 1 75 ARG HH21 3 1 PBU O51 . . 3.000 2.616 2.229 2.969 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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