Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599868 | 2n3t RC | 25657 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3t
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 739
_Distance_constraint_stats_list.Viol_count 284
_Distance_constraint_stats_list.Viol_total 56.312
_Distance_constraint_stats_list.Viol_max 0.435
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0198
_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 3 LYS 0.017 0.017 8 0 "[ . 1]"
1 7 ALA 0.000 0.000 . 0 "[ . 1]"
1 8 ALA 0.000 0.000 . 0 "[ . 1]"
1 9 ILE 0.674 0.435 3 0 "[ . 1]"
1 12 LEU 0.118 0.032 6 0 "[ . 1]"
1 15 ALA 0.272 0.071 7 0 "[ . 1]"
1 16 PHE 0.093 0.024 2 0 "[ . 1]"
1 17 ALA 0.077 0.031 3 0 "[ . 1]"
1 19 SER 0.000 0.000 . 0 "[ . 1]"
1 20 LYS 0.101 0.021 8 0 "[ . 1]"
1 21 ASN 0.019 0.019 6 0 "[ . 1]"
1 22 ASP 0.030 0.019 6 0 "[ . 1]"
1 23 GLU 0.519 0.085 8 0 "[ . 1]"
1 24 VAL 0.917 0.086 3 0 "[ . 1]"
1 25 LEU 0.176 0.025 4 0 "[ . 1]"
1 26 GLY 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 0.231 0.184 3 0 "[ . 1]"
1 29 LEU 0.491 0.071 7 0 "[ . 1]"
1 30 PRO 0.000 0.000 . 0 "[ . 1]"
1 31 ILE 0.088 0.032 6 0 "[ . 1]"
1 32 ALA 0.021 0.018 6 0 "[ . 1]"
1 33 ALA 0.036 0.012 3 0 "[ . 1]"
1 34 SER 0.023 0.014 5 0 "[ . 1]"
1 35 THR 0.058 0.021 6 0 "[ . 1]"
1 36 ASP 0.029 0.025 5 0 "[ . 1]"
1 37 LEU 0.087 0.025 5 0 "[ . 1]"
1 38 PRO 0.000 0.000 . 0 "[ . 1]"
1 39 ILE 0.130 0.048 9 0 "[ . 1]"
1 40 GLU 0.000 0.000 . 0 "[ . 1]"
1 41 THR 0.010 0.006 10 0 "[ . 1]"
1 42 ALA 0.001 0.001 5 0 "[ . 1]"
1 43 ALA 0.000 0.000 . 0 "[ . 1]"
1 45 ALA 0.449 0.435 3 0 "[ . 1]"
1 46 SER 0.014 0.012 5 0 "[ . 1]"
1 47 LEU 0.031 0.019 4 0 "[ . 1]"
1 48 ALA 0.061 0.024 2 0 "[ . 1]"
1 49 LEU 0.288 0.029 3 0 "[ . 1]"
1 50 ALA 0.088 0.019 4 0 "[ . 1]"
1 52 VAL 0.825 0.086 3 0 "[ . 1]"
1 53 PHE 0.167 0.025 4 0 "[ . 1]"
1 54 VAL 0.000 0.000 . 0 "[ . 1]"
1 55 GLY 0.000 0.000 . 0 "[ . 1]"
1 56 THR 0.148 0.029 8 0 "[ . 1]"
1 57 CYS 0.157 0.034 6 0 "[ . 1]"
1 58 ASN 0.072 0.034 6 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 ASP 0.000 0.000 . 0 "[ . 1]"
1 61 ILE 0.043 0.012 10 0 "[ . 1]"
1 62 THR 0.069 0.021 1 0 "[ . 1]"
1 63 THR 0.306 0.042 5 0 "[ . 1]"
1 64 SER 0.495 0.071 7 0 "[ . 1]"
1 65 ILE 0.708 0.042 5 0 "[ . 1]"
1 66 MET 0.162 0.026 3 0 "[ . 1]"
1 67 ASP 0.063 0.021 6 0 "[ . 1]"
1 68 ASN 0.023 0.017 5 0 "[ . 1]"
1 69 PHE 0.118 0.032 6 0 "[ . 1]"
1 70 LEU 0.032 0.027 2 0 "[ . 1]"
1 71 GLU 0.023 0.017 5 0 "[ . 1]"
1 72 ARG 0.014 0.012 7 0 "[ . 1]"
1 73 THR 0.516 0.070 1 0 "[ . 1]"
1 74 ALA 0.232 0.071 10 0 "[ . 1]"
1 75 ILE 0.470 0.071 10 0 "[ . 1]"
1 76 GLU 0.186 0.070 1 0 "[ . 1]"
1 77 LEU 0.186 0.048 9 0 "[ . 1]"
1 78 LYS 0.000 0.000 . 0 "[ . 1]"
1 81 TRP 0.033 0.015 10 0 "[ . 1]"
1 82 VAL 0.000 0.000 . 0 "[ . 1]"
1 83 ARG 0.000 0.000 . 0 "[ . 1]"
1 84 PHE 0.008 0.008 3 0 "[ . 1]"
1 85 LEU 0.000 0.000 . 0 "[ . 1]"
1 86 ALA 0.000 0.000 . 0 "[ . 1]"
1 88 ALA 0.083 0.020 8 0 "[ . 1]"
1 89 LEU 0.171 0.026 3 0 "[ . 1]"
1 91 ILE 0.000 0.000 . 0 "[ . 1]"
1 92 LEU 0.048 0.018 1 0 "[ . 1]"
1 93 TYR 0.044 0.013 3 0 "[ . 1]"
1 94 MET 0.000 0.000 . 0 "[ . 1]"
1 97 GLY 0.000 0.000 . 0 "[ . 1]"
1 98 GLU 0.011 0.011 1 0 "[ . 1]"
1 99 GLN 0.004 0.004 10 0 "[ . 1]"
1 100 VAL 0.106 0.025 10 0 "[ . 1]"
1 101 ASP 0.023 0.019 3 0 "[ . 1]"
1 102 ASP 0.008 0.005 5 0 "[ . 1]"
1 103 VAL 0.020 0.009 5 0 "[ . 1]"
1 104 LEU 0.061 0.023 9 0 "[ . 1]"
1 105 GLU 0.008 0.005 5 0 "[ . 1]"
1 106 THR 0.026 0.009 5 0 "[ . 1]"
1 107 ILE 0.047 0.014 7 0 "[ . 1]"
1 108 SER 0.000 0.000 . 0 "[ . 1]"
1 109 ALA 0.032 0.027 2 0 "[ . 1]"
1 110 ILE 0.023 0.023 4 0 "[ . 1]"
1 113 PRO 0.000 0.000 . 0 "[ . 1]"
1 115 THR 0.000 0.000 . 0 "[ . 1]"
1 116 SER 0.000 0.000 . 0 "[ . 1]"
1 117 ALA 0.000 0.000 . 0 "[ . 1]"
1 118 ILE 0.066 0.015 10 0 "[ . 1]"
1 119 GLU 0.018 0.008 3 0 "[ . 1]"
1 120 VAL 0.000 0.000 . 0 "[ . 1]"
1 122 VAL 0.058 0.025 10 0 "[ . 1]"
1 123 GLY 0.000 0.000 . 0 "[ . 1]"
1 126 ALA 0.010 0.006 6 0 "[ . 1]"
1 127 TYR 0.017 0.011 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 SER H 1 20 LYS H 3.000 . 3.500 2.696 2.461 2.955 . 0 0 "[ . 1]" 1
2 1 19 SER H 1 21 ASN H 5.000 . 5.500 3.940 3.064 4.849 . 0 0 "[ . 1]" 1
3 1 19 SER HA 1 20 LYS H 4.000 . 4.500 3.498 3.388 3.590 . 0 0 "[ . 1]" 1
4 1 20 LYS H 1 21 ASN H 3.000 . 3.500 2.471 1.899 3.114 . 0 0 "[ . 1]" 1
5 1 21 ASN H 1 22 ASP H 4.000 . 4.500 3.387 2.272 4.519 0.019 6 0 "[ . 1]" 1
6 1 21 ASN H 1 24 VAL H 5.000 . 5.500 4.467 3.778 5.165 . 0 0 "[ . 1]" 1
7 1 21 ASN HA 1 22 ASP H 4.000 . 4.500 2.735 2.144 3.263 . 0 0 "[ . 1]" 1
8 1 21 ASN QB 1 22 ASP H 5.000 . 5.500 3.310 2.440 3.923 . 0 0 "[ . 1]" 1
9 1 21 ASN HA 1 23 GLU H 5.000 . 5.500 3.817 3.464 4.437 . 0 0 "[ . 1]" 1
10 1 22 ASP H 1 23 GLU H 4.000 . 4.500 2.564 2.415 2.845 . 0 0 "[ . 1]" 1
11 1 22 ASP H 1 24 VAL H 5.000 . 5.500 4.580 4.194 4.897 . 0 0 "[ . 1]" 1
12 1 22 ASP HA 1 23 GLU H 4.000 . 4.500 3.427 3.321 3.576 . 0 0 "[ . 1]" 1
13 1 22 ASP QB 1 23 GLU H 5.000 . 5.500 3.443 2.766 3.836 . 0 0 "[ . 1]" 1
14 1 22 ASP HA 1 24 VAL H 5.000 . 5.500 4.662 4.340 4.966 . 0 0 "[ . 1]" 1
15 1 22 ASP HA 1 25 LEU H 4.000 . 4.500 3.614 3.258 4.069 . 0 0 "[ . 1]" 1
16 1 23 GLU H 1 24 VAL H 4.000 . 4.500 2.669 2.434 3.041 . 0 0 "[ . 1]" 1
17 1 23 GLU H 1 25 LEU H 5.000 . 5.500 3.968 3.595 4.347 . 0 0 "[ . 1]" 1
18 1 23 GLU H 1 26 GLY H 5.000 . 5.500 4.602 4.142 5.145 . 0 0 "[ . 1]" 1
19 1 23 GLU H 1 24 VAL HB 5.000 . 5.500 4.495 4.362 4.787 . 0 0 "[ . 1]" 1
20 1 23 GLU H 1 24 VAL MG1 5.000 . 5.500 5.551 5.503 5.585 0.085 8 0 "[ . 1]" 1
21 1 23 GLU H 1 24 VAL MG2 5.000 . 5.500 4.823 4.334 5.509 0.009 5 0 "[ . 1]" 1
22 1 23 GLU HA 1 24 VAL H 4.000 . 4.500 3.558 3.537 3.572 . 0 0 "[ . 1]" 1
23 1 23 GLU QB 1 24 VAL H 5.000 . 5.500 2.281 2.146 2.516 . 0 0 "[ . 1]" 1
24 1 23 GLU HA 1 26 GLY H 5.000 . 5.500 3.634 3.418 3.891 . 0 0 "[ . 1]" 1
25 1 23 GLU HA 1 27 LEU H 5.000 . 5.500 4.569 4.231 4.893 . 0 0 "[ . 1]" 1
26 1 24 VAL H 1 25 LEU H 3.000 . 3.500 2.731 2.555 2.854 . 0 0 "[ . 1]" 1
27 1 24 VAL H 1 26 GLY H 5.000 . 5.500 4.112 3.633 4.713 . 0 0 "[ . 1]" 1
28 1 24 VAL H 1 27 LEU H 5.000 . 5.500 4.887 4.573 5.065 . 0 0 "[ . 1]" 1
29 1 24 VAL HA 1 25 LEU H 4.000 . 4.500 3.530 3.457 3.579 . 0 0 "[ . 1]" 1
30 1 24 VAL HB 1 25 LEU H 5.000 . 5.500 2.800 2.306 3.327 . 0 0 "[ . 1]" 1
31 1 24 VAL MG1 1 25 LEU H 5.000 . 5.500 2.840 2.476 3.226 . 0 0 "[ . 1]" 1
32 1 24 VAL MG2 1 25 LEU H 5.000 . 5.500 4.091 3.853 4.333 . 0 0 "[ . 1]" 1
33 1 24 VAL MG1 1 27 LEU H 5.000 . 5.500 4.463 4.199 4.813 . 0 0 "[ . 1]" 1
34 1 24 VAL HA 1 27 LEU H 5.000 . 5.500 3.469 3.201 3.879 . 0 0 "[ . 1]" 1
35 1 24 VAL HA 1 28 LEU H 5.000 . 5.500 3.847 3.398 4.107 . 0 0 "[ . 1]" 1
36 1 25 LEU H 1 26 GLY H 3.000 . 3.500 2.663 2.596 2.791 . 0 0 "[ . 1]" 1
37 1 25 LEU H 1 27 LEU H 5.000 . 5.500 4.112 3.759 4.544 . 0 0 "[ . 1]" 1
38 1 25 LEU H 1 25 LEU HG 5.000 . 5.500 4.238 2.416 4.580 . 0 0 "[ . 1]" 1
39 1 25 LEU H 1 25 LEU MD1 5.000 . 5.500 4.079 3.863 4.332 . 0 0 "[ . 1]" 1
40 1 25 LEU H 1 25 LEU MD2 5.000 . 5.500 3.985 2.764 4.326 . 0 0 "[ . 1]" 1
41 1 25 LEU H 1 49 LEU MD1 5.000 . 5.500 5.408 4.815 5.525 0.025 6 0 "[ . 1]" 1
42 1 25 LEU H 1 49 LEU MD2 5.000 . 5.500 5.019 4.017 5.510 0.010 9 0 "[ . 1]" 1
43 1 25 LEU H 1 53 PHE QE 5.000 . 5.500 4.514 3.875 5.472 . 0 0 "[ . 1]" 1
44 1 25 LEU H 1 53 PHE HZ 5.000 . 5.500 5.154 4.039 5.525 0.025 4 0 "[ . 1]" 1
45 1 25 LEU HA 1 26 GLY H 4.000 . 4.500 3.514 3.455 3.572 . 0 0 "[ . 1]" 1
46 1 25 LEU QB 1 26 GLY H 5.000 . 5.500 2.730 2.251 3.632 . 0 0 "[ . 1]" 1
47 1 25 LEU HG 1 26 GLY H 5.000 . 5.500 3.975 2.125 4.685 . 0 0 "[ . 1]" 1
48 1 25 LEU MD1 1 26 GLY H 5.000 . 5.500 4.499 3.249 5.012 . 0 0 "[ . 1]" 1
49 1 25 LEU MD2 1 26 GLY H 5.000 . 5.500 3.865 2.954 4.584 . 0 0 "[ . 1]" 1
50 1 25 LEU HA 1 28 LEU H 4.000 . 4.500 3.625 3.391 3.917 . 0 0 "[ . 1]" 1
51 1 25 LEU HA 1 29 LEU H 5.000 . 5.500 3.793 3.591 4.014 . 0 0 "[ . 1]" 1
52 1 26 GLY H 1 27 LEU H 3.000 . 3.500 2.595 2.446 2.746 . 0 0 "[ . 1]" 1
53 1 26 GLY H 1 28 LEU H 5.000 . 5.500 4.258 3.830 4.662 . 0 0 "[ . 1]" 1
54 1 26 GLY QA 1 27 LEU H 4.000 . 4.500 2.803 2.685 2.879 . 0 0 "[ . 1]" 1
55 1 27 LEU H 1 28 LEU H 3.000 . 3.500 2.431 2.344 2.567 . 0 0 "[ . 1]" 1
56 1 27 LEU H 1 29 LEU H 5.000 . 5.500 3.940 3.617 4.292 . 0 0 "[ . 1]" 1
57 1 27 LEU H 1 27 LEU HG 5.000 . 5.500 3.789 2.284 4.471 . 0 0 "[ . 1]" 1
58 1 27 LEU H 1 27 LEU MD1 5.000 . 5.500 3.176 1.961 4.133 . 0 0 "[ . 1]" 1
59 1 27 LEU H 1 27 LEU MD2 5.000 . 5.500 4.059 3.563 4.401 . 0 0 "[ . 1]" 1
60 1 27 LEU HA 1 28 LEU H 4.000 . 4.500 3.551 3.489 3.575 . 0 0 "[ . 1]" 1
61 1 27 LEU HA 1 29 LEU H 5.000 . 5.500 4.392 3.783 4.723 . 0 0 "[ . 1]" 1
62 1 27 LEU HA 1 31 ILE H 5.000 . 5.500 4.571 4.351 4.811 . 0 0 "[ . 1]" 1
63 1 28 LEU H 1 29 LEU H 3.000 . 3.500 2.764 2.733 2.792 . 0 0 "[ . 1]" 1
64 1 28 LEU H 1 28 LEU HG 5.000 . 5.500 4.023 2.910 4.392 . 0 0 "[ . 1]" 1
65 1 28 LEU H 1 28 LEU MD1 5.000 . 5.500 3.409 1.980 4.180 . 0 0 "[ . 1]" 1
66 1 28 LEU H 1 28 LEU MD2 5.000 . 5.500 3.627 2.009 4.342 . 0 0 "[ . 1]" 1
67 1 28 LEU HA 1 29 LEU H 4.000 . 4.500 3.539 3.477 3.572 . 0 0 "[ . 1]" 1
68 1 28 LEU MD1 1 29 LEU H 5.000 . 5.500 4.481 4.110 4.898 . 0 0 "[ . 1]" 1
69 1 28 LEU MD2 1 29 LEU H 5.000 . 5.500 4.545 3.997 4.907 . 0 0 "[ . 1]" 1
70 1 28 LEU HA 1 31 ILE H 4.000 . 4.500 3.685 3.446 4.100 . 0 0 "[ . 1]" 1
71 1 28 LEU HA 1 32 ALA H 5.000 . 5.500 4.038 3.914 4.127 . 0 0 "[ . 1]" 1
72 1 29 LEU H 1 31 ILE H 5.000 . 5.500 4.230 3.846 4.624 . 0 0 "[ . 1]" 1
73 1 29 LEU H 1 32 ALA H 5.000 . 5.500 4.473 4.349 4.604 . 0 0 "[ . 1]" 1
74 1 29 LEU H 1 29 LEU HG 5.000 . 5.500 3.919 3.039 4.278 . 0 0 "[ . 1]" 1
75 1 29 LEU H 1 29 LEU MD1 5.000 . 5.500 3.307 1.957 4.131 . 0 0 "[ . 1]" 1
76 1 29 LEU H 1 29 LEU MD2 5.000 . 5.500 2.929 1.968 4.134 . 0 0 "[ . 1]" 1
77 1 29 LEU H 1 49 LEU QD 5.000 . 5.500 3.975 3.579 4.634 . 0 0 "[ . 1]" 1
78 1 29 LEU HA 1 31 ILE H 5.000 . 5.500 4.429 4.012 5.018 . 0 0 "[ . 1]" 1
79 1 29 LEU HA 1 32 ALA H 4.000 . 4.500 3.313 3.117 3.637 . 0 0 "[ . 1]" 1
80 1 29 LEU HA 1 33 ALA H 5.000 . 5.500 4.128 3.786 4.352 . 0 0 "[ . 1]" 1
81 1 29 LEU MD1 1 61 ILE H 5.000 . 5.500 4.136 3.773 4.642 . 0 0 "[ . 1]" 1
82 1 29 LEU MD2 1 61 ILE H 5.000 . 5.500 4.007 3.497 4.739 . 0 0 "[ . 1]" 1
83 1 29 LEU MD1 1 64 SER H 5.000 . 5.500 3.725 2.743 4.705 . 0 0 "[ . 1]" 1
84 1 29 LEU MD2 1 64 SER H 5.000 . 5.500 4.112 3.408 4.660 . 0 0 "[ . 1]" 1
85 1 29 LEU MD1 1 65 ILE H 5.000 . 5.500 4.787 4.470 5.502 0.002 8 0 "[ . 1]" 1
86 1 29 LEU MD2 1 65 ILE H 5.000 . 5.500 5.207 3.788 5.522 0.022 1 0 "[ . 1]" 1
87 1 29 LEU H 1 30 PRO QD 4.000 . 4.500 2.235 2.022 2.353 . 0 0 "[ . 1]" 1
88 1 30 PRO HA 1 31 ILE H 4.000 . 4.500 3.550 3.510 3.586 . 0 0 "[ . 1]" 1
89 1 30 PRO HA 1 32 ALA H 5.000 . 5.500 4.242 4.089 4.652 . 0 0 "[ . 1]" 1
90 1 31 ILE H 1 32 ALA H 3.000 . 3.500 2.443 2.275 2.695 . 0 0 "[ . 1]" 1
91 1 31 ILE H 1 33 ALA H 5.000 . 5.500 3.924 3.519 4.379 . 0 0 "[ . 1]" 1
92 1 31 ILE H 1 31 ILE MD 5.000 . 5.500 3.463 3.334 3.556 . 0 0 "[ . 1]" 1
93 1 31 ILE HA 1 32 ALA H 4.000 . 4.500 3.472 3.431 3.542 . 0 0 "[ . 1]" 1
94 1 31 ILE HB 1 32 ALA H 5.000 . 5.500 3.064 2.609 4.016 . 0 0 "[ . 1]" 1
95 1 31 ILE QG 1 32 ALA H 5.000 . 5.500 3.875 2.266 4.187 . 0 0 "[ . 1]" 1
96 1 31 ILE MD 1 32 ALA H 5.000 . 5.500 4.609 3.994 4.835 . 0 0 "[ . 1]" 1
97 1 31 ILE MG 1 32 ALA H 5.000 . 5.500 3.760 3.560 3.840 . 0 0 "[ . 1]" 1
98 1 32 ALA H 1 33 ALA H 4.000 . 4.500 2.375 2.305 2.489 . 0 0 "[ . 1]" 1
99 1 32 ALA H 1 34 SER H 5.000 . 5.500 4.137 3.730 4.437 . 0 0 "[ . 1]" 1
100 1 32 ALA HA 1 33 ALA H 4.000 . 4.500 3.437 3.371 3.554 . 0 0 "[ . 1]" 1
101 1 31 ILE H 1 32 ALA MB 5.000 . 5.500 4.156 4.020 4.386 . 0 0 "[ . 1]" 1
102 1 33 ALA H 1 34 SER H 4.000 . 4.500 2.676 2.388 3.095 . 0 0 "[ . 1]" 1
103 1 33 ALA HA 1 34 SER H 4.000 . 4.500 3.164 2.873 3.398 . 0 0 "[ . 1]" 1
104 1 33 ALA MB 1 34 SER H 5.000 . 5.500 3.392 3.049 3.656 . 0 0 "[ . 1]" 1
105 1 33 ALA MB 1 64 SER H 5.000 . 5.500 5.328 4.871 5.512 0.012 3 0 "[ . 1]" 1
106 1 34 SER H 1 35 THR H 3.000 . 3.500 3.307 3.054 3.509 0.009 2 0 "[ . 1]" 1
107 1 34 SER HA 1 35 THR H 4.000 . 4.500 2.477 2.344 2.617 . 0 0 "[ . 1]" 1
108 1 34 SER QB 1 35 THR H 5.000 . 5.500 3.991 3.884 4.063 . 0 0 "[ . 1]" 1
109 1 35 THR H 1 36 ASP H 3.000 . 3.500 2.636 2.320 2.864 . 0 0 "[ . 1]" 1
110 1 35 THR HA 1 36 ASP H 4.000 . 4.500 3.454 3.367 3.564 . 0 0 "[ . 1]" 1
111 1 36 ASP H 1 37 LEU H 4.000 . 4.500 2.392 1.775 3.100 0.025 5 0 "[ . 1]" 1
112 1 36 ASP HA 1 37 LEU H 4.000 . 4.500 3.254 2.773 3.576 . 0 0 "[ . 1]" 1
113 1 36 ASP QB 1 37 LEU H 5.000 . 5.500 3.248 2.325 3.925 . 0 0 "[ . 1]" 1
114 1 37 LEU H 1 37 LEU HG 5.000 . 5.500 1.968 1.786 2.303 0.014 5 0 "[ . 1]" 1
115 1 37 LEU H 1 37 LEU MD1 5.000 . 5.500 3.646 3.471 3.866 . 0 0 "[ . 1]" 1
116 1 37 LEU H 1 37 LEU MD2 5.000 . 5.500 2.218 1.784 2.864 0.016 1 0 "[ . 1]" 1
117 1 34 SER H 1 37 LEU HG 5.000 . 5.500 4.745 4.225 5.381 . 0 0 "[ . 1]" 1
118 1 34 SER H 1 37 LEU MD1 5.000 . 5.500 4.210 3.554 4.931 . 0 0 "[ . 1]" 1
119 1 34 SER H 1 37 LEU MD2 5.000 . 5.500 4.421 3.932 5.514 0.014 5 0 "[ . 1]" 1
120 1 36 ASP H 1 37 LEU HG 5.000 . 5.500 3.408 2.369 4.383 . 0 0 "[ . 1]" 1
121 1 36 ASP H 1 37 LEU MD1 5.000 . 5.500 4.645 3.883 5.490 . 0 0 "[ . 1]" 1
122 1 36 ASP H 1 37 LEU MD2 5.000 . 5.500 2.756 1.809 3.694 . 0 0 "[ . 1]" 1
123 1 38 PRO HA 1 39 ILE H 5.000 . 5.500 2.246 2.169 2.303 . 0 0 "[ . 1]" 1
124 1 39 ILE H 1 40 GLU H 4.000 . 4.500 2.521 2.454 2.665 . 0 0 "[ . 1]" 1
125 1 39 ILE H 1 41 THR H 5.000 . 5.500 4.590 4.322 4.901 . 0 0 "[ . 1]" 1
126 1 39 ILE H 1 42 ALA H 5.000 . 5.500 5.115 4.890 5.374 . 0 0 "[ . 1]" 1
127 1 39 ILE H 1 39 ILE MD 5.000 . 5.500 3.466 3.238 3.580 . 0 0 "[ . 1]" 1
128 1 41 THR H 1 42 ALA H 4.000 . 4.500 2.634 2.330 2.829 . 0 0 "[ . 1]" 1
129 1 41 THR H 1 43 ALA H 5.000 . 5.500 3.962 3.632 4.451 . 0 0 "[ . 1]" 1
130 1 41 THR HA 1 42 ALA H 4.000 . 4.500 3.549 3.518 3.576 . 0 0 "[ . 1]" 1
131 1 41 THR MG 1 42 ALA H 5.000 . 5.500 3.794 3.469 3.978 . 0 0 "[ . 1]" 1
132 1 42 ALA H 1 43 ALA H 4.000 . 4.500 2.648 2.478 2.792 . 0 0 "[ . 1]" 1
133 1 42 ALA HA 1 43 ALA H 4.000 . 4.500 3.504 3.447 3.569 . 0 0 "[ . 1]" 1
134 1 42 ALA MB 1 43 ALA H 5.000 . 5.500 2.687 2.386 2.926 . 0 0 "[ . 1]" 1
135 1 55 GLY H 1 56 THR H 4.000 . 4.500 2.331 2.053 2.759 . 0 0 "[ . 1]" 1
136 1 56 THR H 1 57 CYS H 4.000 . 4.500 4.504 4.443 4.529 0.029 8 0 "[ . 1]" 1
137 1 56 THR HA 1 57 CYS H 4.000 . 4.500 2.522 2.312 2.550 . 0 0 "[ . 1]" 1
138 1 56 THR MG 1 57 CYS H 5.000 . 5.500 3.547 3.360 3.884 . 0 0 "[ . 1]" 1
139 1 57 CYS H 1 58 ASN H 4.000 . 4.500 4.421 4.202 4.534 0.034 6 0 "[ . 1]" 1
140 1 57 CYS HA 1 58 ASN H 4.000 . 4.500 2.295 2.148 2.437 . 0 0 "[ . 1]" 1
141 1 58 ASN HA 1 59 GLY H 4.000 . 4.500 2.190 2.142 2.276 . 0 0 "[ . 1]" 1
142 1 59 GLY H 1 60 ASP H 4.000 . 4.500 2.501 2.435 2.644 . 0 0 "[ . 1]" 1
143 1 59 GLY QA 1 60 ASP H 3.000 . 3.500 2.807 2.709 2.885 . 0 0 "[ . 1]" 1
144 1 59 GLY QA 1 62 THR H 5.000 . 5.500 3.254 3.032 3.484 . 0 0 "[ . 1]" 1
145 1 59 GLY QA 1 63 THR H 5.000 . 5.500 4.255 3.914 4.413 . 0 0 "[ . 1]" 1
146 1 60 ASP QB 1 61 ILE H 5.000 . 5.500 2.408 2.172 2.765 . 0 0 "[ . 1]" 1
147 1 60 ASP H 1 61 ILE H 4.000 . 4.500 2.904 2.779 3.060 . 0 0 "[ . 1]" 1
148 1 60 ASP H 1 62 THR H 5.000 . 5.500 4.286 4.035 4.647 . 0 0 "[ . 1]" 1
149 1 60 ASP H 1 63 THR H 5.000 . 5.500 4.806 4.696 4.948 . 0 0 "[ . 1]" 1
150 1 60 ASP HA 1 61 ILE H 4.000 . 4.500 3.556 3.505 3.579 . 0 0 "[ . 1]" 1
151 1 60 ASP HA 1 63 THR H 4.000 . 4.500 3.327 3.000 3.643 . 0 0 "[ . 1]" 1
152 1 60 ASP HA 1 64 SER H 5.000 . 5.500 4.561 4.259 4.728 . 0 0 "[ . 1]" 1
153 1 61 ILE H 1 61 ILE HB 4.000 . 4.500 2.629 2.467 3.327 . 0 0 "[ . 1]" 1
154 1 61 ILE H 1 61 ILE MD 5.000 . 5.500 3.357 3.281 3.416 . 0 0 "[ . 1]" 1
155 1 61 ILE H 1 62 THR H 5.000 . 5.500 2.797 2.642 2.941 . 0 0 "[ . 1]" 1
156 1 61 ILE H 1 63 THR H 5.000 . 5.500 4.089 3.905 4.418 . 0 0 "[ . 1]" 1
157 1 61 ILE H 1 64 SER H 5.000 . 5.500 5.128 4.987 5.300 . 0 0 "[ . 1]" 1
158 1 61 ILE HA 1 64 SER H 4.000 . 4.500 3.671 3.439 4.103 . 0 0 "[ . 1]" 1
159 1 61 ILE HA 1 65 ILE H 4.000 . 4.500 4.177 3.945 4.336 . 0 0 "[ . 1]" 1
160 1 62 THR H 1 62 THR HB 4.000 . 4.500 2.648 2.510 2.777 . 0 0 "[ . 1]" 1
161 1 62 THR H 1 63 THR H 4.000 . 4.500 2.595 2.393 2.761 . 0 0 "[ . 1]" 1
162 1 62 THR HA 1 63 THR H 4.000 . 4.500 3.502 3.422 3.559 . 0 0 "[ . 1]" 1
163 1 62 THR HB 1 63 THR H 4.000 . 4.500 2.796 2.440 3.122 . 0 0 "[ . 1]" 1
164 1 62 THR MG 1 63 THR H 5.000 . 5.500 3.777 3.594 4.018 . 0 0 "[ . 1]" 1
165 1 62 THR MG 1 66 MET H 5.000 . 5.500 3.630 3.370 3.844 . 0 0 "[ . 1]" 1
166 1 62 THR HA 1 64 SER H 5.000 . 5.500 4.481 3.992 4.714 . 0 0 "[ . 1]" 1
167 1 62 THR HA 1 65 ILE H 4.000 . 4.500 3.539 3.439 3.664 . 0 0 "[ . 1]" 1
168 1 62 THR HA 1 65 ILE HB 4.000 . 4.500 2.498 2.293 3.364 . 0 0 "[ . 1]" 1
169 1 62 THR HA 1 66 MET H 4.000 . 4.500 3.600 3.306 3.923 . 0 0 "[ . 1]" 1
170 1 63 THR H 1 63 THR HB 4.000 . 4.500 2.739 2.174 3.593 . 0 0 "[ . 1]" 1
171 1 63 THR H 1 64 SER H 4.000 . 4.500 2.768 2.559 3.015 . 0 0 "[ . 1]" 1
172 1 63 THR H 1 65 ILE H 5.000 . 5.500 4.213 3.634 4.586 . 0 0 "[ . 1]" 1
173 1 63 THR HA 1 64 SER H 4.000 . 4.500 3.555 3.498 3.578 . 0 0 "[ . 1]" 1
174 1 63 THR HB 1 64 SER H 4.000 . 4.500 2.651 2.153 3.650 . 0 0 "[ . 1]" 1
175 1 63 THR MG 1 64 SER H 5.000 . 5.500 3.414 2.019 3.897 . 0 0 "[ . 1]" 1
176 1 63 THR HA 1 65 ILE H 5.000 . 5.500 4.807 4.284 5.243 . 0 0 "[ . 1]" 1
177 1 63 THR HA 1 66 MET H 4.000 . 4.500 3.841 3.555 4.155 . 0 0 "[ . 1]" 1
178 1 63 THR HA 1 67 ASP H 4.000 . 4.500 4.146 3.923 4.515 0.015 8 0 "[ . 1]" 1
179 1 64 SER H 1 65 ILE H 4.000 . 4.500 2.636 2.483 2.796 . 0 0 "[ . 1]" 1
180 1 64 SER H 1 66 MET H 5.000 . 5.500 4.073 3.661 4.458 . 0 0 "[ . 1]" 1
181 1 64 SER H 1 67 ASP H 5.000 . 5.500 4.683 4.463 4.955 . 0 0 "[ . 1]" 1
182 1 64 SER HA 1 65 ILE H 4.000 . 4.500 3.546 3.484 3.570 . 0 0 "[ . 1]" 1
183 1 64 SER HA 1 68 ASN H 5.000 . 5.500 4.342 4.031 4.731 . 0 0 "[ . 1]" 1
184 1 65 ILE H 1 65 ILE HB 4.000 . 4.500 2.126 2.085 2.171 . 0 0 "[ . 1]" 1
185 1 65 ILE H 1 65 ILE MD 5.000 . 5.500 3.620 3.410 3.698 . 0 0 "[ . 1]" 1
186 1 62 THR H 1 65 ILE MG 5.000 . 5.500 5.322 4.453 5.511 0.011 4 0 "[ . 1]" 1
187 1 63 THR H 1 65 ILE MG 5.000 . 5.500 5.447 4.678 5.542 0.042 5 0 "[ . 1]" 1
188 1 64 SER H 1 65 ILE HB 5.000 . 5.500 4.405 4.194 4.498 . 0 0 "[ . 1]" 1
189 1 64 SER H 1 65 ILE MG 5.000 . 5.500 5.299 4.183 5.539 0.039 3 0 "[ . 1]" 1
190 1 64 SER H 1 65 ILE MD 5.000 . 5.500 5.449 5.246 5.535 0.035 9 0 "[ . 1]" 1
191 1 65 ILE HB 1 66 MET H 5.000 . 5.500 2.962 2.503 3.696 . 0 0 "[ . 1]" 1
192 1 65 ILE MG 1 66 MET H 5.000 . 5.500 2.513 2.050 3.103 . 0 0 "[ . 1]" 1
193 1 65 ILE MD 1 66 MET H 5.000 . 5.500 4.659 4.340 4.936 . 0 0 "[ . 1]" 1
194 1 65 ILE H 1 66 MET H 4.000 . 4.500 2.780 2.600 2.924 . 0 0 "[ . 1]" 1
195 1 65 ILE H 1 67 ASP H 5.000 . 5.500 4.224 3.696 4.602 . 0 0 "[ . 1]" 1
196 1 65 ILE HA 1 66 MET H 4.000 . 4.500 3.544 3.480 3.576 . 0 0 "[ . 1]" 1
197 1 65 ILE HA 1 68 ASN H 4.000 . 4.500 3.762 3.502 4.144 . 0 0 "[ . 1]" 1
198 1 65 ILE HA 1 69 PHE H 4.000 . 4.500 4.489 4.330 4.532 0.032 6 0 "[ . 1]" 1
199 1 66 MET H 1 67 ASP H 3.000 . 3.500 2.669 2.498 2.847 . 0 0 "[ . 1]" 1
200 1 66 MET H 1 68 ASN H 5.000 . 5.500 4.331 3.894 4.772 . 0 0 "[ . 1]" 1
201 1 66 MET H 1 69 PHE H 5.000 . 5.500 4.827 4.643 4.955 . 0 0 "[ . 1]" 1
202 1 66 MET HA 1 67 ASP H 4.000 . 4.500 3.545 3.494 3.570 . 0 0 "[ . 1]" 1
203 1 66 MET QB 1 67 ASP H 5.000 . 5.500 2.511 2.209 2.793 . 0 0 "[ . 1]" 1
204 1 66 MET QG 1 67 ASP H 5.000 . 5.500 3.871 3.672 4.034 . 0 0 "[ . 1]" 1
205 1 66 MET HA 1 68 ASN H 5.000 . 5.500 4.434 4.102 4.872 . 0 0 "[ . 1]" 1
206 1 66 MET HA 1 69 PHE H 4.000 . 4.500 3.340 3.214 3.441 . 0 0 "[ . 1]" 1
207 1 67 ASP H 1 68 ASN H 4.000 . 4.500 2.864 2.656 3.110 . 0 0 "[ . 1]" 1
208 1 67 ASP HA 1 68 ASN H 4.000 . 4.500 3.551 3.524 3.576 . 0 0 "[ . 1]" 1
209 1 67 ASP QB 1 68 ASN H 5.000 . 5.500 2.416 2.084 2.656 . 0 0 "[ . 1]" 1
210 1 68 ASN H 1 69 PHE H 3.000 . 3.500 2.675 2.528 2.792 . 0 0 "[ . 1]" 1
211 1 68 ASN HA 1 69 PHE H 4.000 . 4.500 3.538 3.474 3.572 . 0 0 "[ . 1]" 1
212 1 68 ASN HA 1 71 GLU H 4.000 . 4.500 3.321 2.951 3.691 . 0 0 "[ . 1]" 1
213 1 73 THR H 1 73 THR HB 4.000 . 4.500 3.220 2.656 3.583 . 0 0 "[ . 1]" 1
214 1 73 THR H 1 74 ALA H 5.000 . 5.500 4.618 4.582 4.640 . 0 0 "[ . 1]" 1
215 1 73 THR HA 1 74 ALA H 4.000 . 4.500 2.357 2.247 2.435 . 0 0 "[ . 1]" 1
216 1 73 THR HB 1 74 ALA H 5.000 . 5.500 2.965 2.378 3.462 . 0 0 "[ . 1]" 1
217 1 73 THR MG 1 74 ALA H 5.000 . 5.500 2.867 1.810 3.717 . 0 0 "[ . 1]" 1
218 1 73 THR HA 1 75 ILE H 4.000 . 4.500 3.789 3.606 3.926 . 0 0 "[ . 1]" 1
219 1 73 THR HB 1 75 ILE H 5.000 . 5.500 2.451 2.212 2.720 . 0 0 "[ . 1]" 1
220 1 74 ALA H 1 75 ILE H 4.000 . 4.500 2.793 2.747 2.836 . 0 0 "[ . 1]" 1
221 1 74 ALA H 1 76 GLU H 5.000 . 5.500 4.439 4.286 4.555 . 0 0 "[ . 1]" 1
222 1 74 ALA HA 1 75 ILE H 4.000 . 4.500 3.374 3.275 3.441 . 0 0 "[ . 1]" 1
223 1 74 ALA MB 1 75 ILE H 5.000 . 5.500 3.059 2.873 3.242 . 0 0 "[ . 1]" 1
224 1 74 ALA MB 1 76 GLU H 5.000 . 5.500 4.019 3.900 4.423 . 0 0 "[ . 1]" 1
225 1 74 ALA MB 1 77 LEU H 5.000 . 5.500 4.271 4.093 4.465 . 0 0 "[ . 1]" 1
226 1 75 ILE H 1 76 GLU H 4.000 . 4.500 2.739 2.540 2.814 . 0 0 "[ . 1]" 1
227 1 75 ILE H 1 77 LEU H 5.000 . 5.500 4.518 4.200 4.702 . 0 0 "[ . 1]" 1
228 1 75 ILE H 1 75 ILE HB 4.000 . 4.500 2.042 2.026 2.052 . 0 0 "[ . 1]" 1
229 1 75 ILE H 1 75 ILE MD 5.000 . 5.500 3.120 2.553 3.744 . 0 0 "[ . 1]" 1
230 1 75 ILE HA 1 76 GLU H 4.000 . 4.500 3.340 3.277 3.448 . 0 0 "[ . 1]" 1
231 1 75 ILE HB 1 76 GLU H 4.000 . 4.500 3.727 3.452 3.892 . 0 0 "[ . 1]" 1
232 1 75 ILE MG 1 76 GLU H 5.000 . 5.500 3.105 2.917 3.370 . 0 0 "[ . 1]" 1
233 1 75 ILE MD 1 76 GLU H 5.000 . 5.500 4.823 4.473 5.288 . 0 0 "[ . 1]" 1
234 1 74 ALA H 1 75 ILE MG 5.000 . 5.500 5.476 5.379 5.571 0.071 10 0 "[ . 1]" 1
235 1 74 ALA H 1 75 ILE MD 5.000 . 5.500 4.836 4.458 5.410 . 0 0 "[ . 1]" 1
236 1 73 THR H 1 75 ILE MG 5.000 . 5.500 4.150 3.880 4.484 . 0 0 "[ . 1]" 1
237 1 73 THR H 1 75 ILE MD 5.000 . 5.500 5.415 4.875 5.529 0.029 4 0 "[ . 1]" 1
238 1 75 ILE H 1 76 GLU QG 5.000 . 5.500 3.954 3.824 4.228 . 0 0 "[ . 1]" 1
239 1 76 GLU H 1 77 LEU H 4.000 . 4.500 2.645 2.522 2.739 . 0 0 "[ . 1]" 1
240 1 76 GLU HA 1 77 LEU H 4.000 . 4.500 3.437 3.417 3.476 . 0 0 "[ . 1]" 1
241 1 77 LEU H 1 78 LYS H 4.000 . 4.500 2.818 2.668 2.900 . 0 0 "[ . 1]" 1
242 1 77 LEU HA 1 78 LYS H 4.000 . 4.500 3.341 3.242 3.531 . 0 0 "[ . 1]" 1
243 1 77 LEU H 1 77 LEU MD1 5.000 . 5.500 3.719 3.647 3.913 . 0 0 "[ . 1]" 1
244 1 77 LEU H 1 77 LEU MD2 5.000 . 5.500 1.902 1.771 2.554 0.029 4 0 "[ . 1]" 1
245 1 89 LEU H 1 89 LEU HG 5.000 . 5.500 3.836 2.727 4.482 . 0 0 "[ . 1]" 1
246 1 89 LEU H 1 89 LEU MD1 5.000 . 5.500 3.648 3.309 3.955 . 0 0 "[ . 1]" 1
247 1 89 LEU H 1 89 LEU MD2 5.000 . 5.500 4.225 3.912 4.364 . 0 0 "[ . 1]" 1
248 1 92 LEU H 1 92 LEU MD1 5.000 . 5.500 3.801 2.500 4.104 . 0 0 "[ . 1]" 1
249 1 92 LEU H 1 92 LEU MD2 5.000 . 5.500 4.023 1.842 4.305 . 0 0 "[ . 1]" 1
250 1 93 TYR H 1 94 MET H 4.000 . 4.500 2.575 2.270 2.777 . 0 0 "[ . 1]" 1
251 1 97 GLY H 1 98 GLU H 4.000 . 4.500 3.550 2.232 4.199 . 0 0 "[ . 1]" 1
252 1 98 GLU H 1 99 GLN H 3.000 . 3.500 2.779 2.545 2.933 . 0 0 "[ . 1]" 1
253 1 98 GLU H 1 100 VAL H 5.000 . 5.500 4.574 4.085 4.851 . 0 0 "[ . 1]" 1
254 1 98 GLU H 1 101 ASP H 5.000 . 5.500 5.221 4.517 5.471 . 0 0 "[ . 1]" 1
255 1 98 GLU H 1 127 TYR QD 5.000 . 5.500 5.033 4.417 5.481 . 0 0 "[ . 1]" 1
256 1 98 GLU H 1 127 TYR QE 5.000 . 5.500 3.947 3.198 5.490 . 0 0 "[ . 1]" 1
257 1 98 GLU HA 1 99 GLN H 4.000 . 4.500 3.469 3.410 3.571 . 0 0 "[ . 1]" 1
258 1 98 GLU QB 1 99 GLN H 5.000 . 5.500 2.870 2.286 3.091 . 0 0 "[ . 1]" 1
259 1 98 GLU HA 1 101 ASP H 5.000 . 5.500 3.374 3.103 3.673 . 0 0 "[ . 1]" 1
260 1 99 GLN H 1 100 VAL H 3.000 . 3.500 2.763 2.672 2.878 . 0 0 "[ . 1]" 1
261 1 99 GLN H 1 101 ASP H 4.000 . 4.500 4.305 3.782 4.504 0.004 10 0 "[ . 1]" 1
262 1 99 GLN H 1 102 ASP H 5.000 . 5.500 5.001 4.859 5.115 . 0 0 "[ . 1]" 1
263 1 99 GLN HA 1 100 VAL H 4.000 . 4.500 3.549 3.516 3.572 . 0 0 "[ . 1]" 1
264 1 99 GLN HA 1 101 ASP H 5.000 . 5.500 4.512 3.970 4.812 . 0 0 "[ . 1]" 1
265 1 99 GLN HA 1 102 ASP H 4.000 . 4.500 3.556 3.130 3.735 . 0 0 "[ . 1]" 1
266 1 100 VAL H 1 101 ASP H 3.000 . 3.500 2.775 2.590 3.058 . 0 0 "[ . 1]" 1
267 1 100 VAL HA 1 101 ASP H 4.000 . 4.500 3.550 3.453 3.576 . 0 0 "[ . 1]" 1
268 1 100 VAL HB 1 101 ASP H 5.000 . 5.500 2.621 2.245 3.734 . 0 0 "[ . 1]" 1
269 1 100 VAL MG1 1 101 ASP H 5.000 . 5.500 3.160 1.781 3.740 0.019 3 0 "[ . 1]" 1
270 1 100 VAL MG2 1 101 ASP H 5.000 . 5.500 3.802 3.624 3.996 . 0 0 "[ . 1]" 1
271 1 100 VAL MG1 1 104 LEU H 5.000 . 5.500 3.714 3.417 4.733 . 0 0 "[ . 1]" 1
272 1 100 VAL MG2 1 104 LEU H 5.000 . 5.500 5.258 3.953 5.505 0.005 7 0 "[ . 1]" 1
273 1 100 VAL HA 1 104 LEU H 5.000 . 5.500 3.990 3.664 4.424 . 0 0 "[ . 1]" 1
274 1 101 ASP H 1 102 ASP H 3.000 . 3.500 2.786 2.573 2.923 . 0 0 "[ . 1]" 1
275 1 101 ASP H 1 103 VAL H 5.000 . 5.500 4.311 4.013 4.475 . 0 0 "[ . 1]" 1
276 1 101 ASP H 1 104 LEU H 5.000 . 5.500 4.965 4.704 5.107 . 0 0 "[ . 1]" 1
277 1 101 ASP HA 1 102 ASP H 5.000 . 5.500 3.535 3.510 3.555 . 0 0 "[ . 1]" 1
278 1 101 ASP HA 1 104 LEU H 5.000 . 5.500 3.852 3.572 4.146 . 0 0 "[ . 1]" 1
279 1 102 ASP H 1 103 VAL H 3.000 . 3.500 2.634 2.554 2.751 . 0 0 "[ . 1]" 1
280 1 102 ASP H 1 104 LEU H 5.000 . 5.500 4.350 4.011 4.609 . 0 0 "[ . 1]" 1
281 1 102 ASP QB 1 103 VAL H 5.000 . 5.500 2.450 2.313 2.534 . 0 0 "[ . 1]" 1
282 1 103 VAL H 1 104 LEU H 3.000 . 3.500 2.867 2.728 3.008 . 0 0 "[ . 1]" 1
283 1 103 VAL MG1 1 104 LEU H 5.000 . 5.500 3.176 2.924 3.512 . 0 0 "[ . 1]" 1
284 1 103 VAL MG2 1 104 LEU H 5.000 . 5.500 3.754 3.631 3.936 . 0 0 "[ . 1]" 1
285 1 103 VAL HA 1 104 LEU H 4.000 . 4.500 3.564 3.517 3.578 . 0 0 "[ . 1]" 1
286 1 103 VAL HB 1 104 LEU H 5.000 . 5.500 2.338 2.116 2.778 . 0 0 "[ . 1]" 1
287 1 104 LEU HA 1 105 GLU H 4.000 . 4.500 3.548 3.464 3.575 . 0 0 "[ . 1]" 1
288 1 104 LEU H 1 104 LEU HG 5.000 . 5.500 2.950 1.800 4.453 0.000 10 0 "[ . 1]" 1
289 1 104 LEU H 1 104 LEU MD1 5.000 . 5.500 2.874 1.788 3.510 0.012 6 0 "[ . 1]" 1
290 1 104 LEU H 1 104 LEU MD2 5.000 . 5.500 3.472 2.675 4.282 . 0 0 "[ . 1]" 1
291 1 104 LEU H 1 105 GLU H 4.000 . 4.500 2.806 2.627 2.944 . 0 0 "[ . 1]" 1
292 1 109 ALA H 1 110 ILE H 4.000 . 4.500 2.778 2.525 2.978 . 0 0 "[ . 1]" 1
293 1 110 ILE H 1 110 ILE QG 4.000 . 4.500 2.344 1.777 3.393 0.023 4 0 "[ . 1]" 1
294 1 110 ILE H 1 110 ILE MD 5.000 . 5.500 3.159 1.799 3.990 0.001 3 0 "[ . 1]" 1
295 1 3 LYS HA 1 3 LYS QD 4.000 . 4.500 3.964 3.562 4.245 . 0 0 "[ . 1]" 1
296 1 3 LYS HA 1 3 LYS QE 5.000 . 5.500 4.699 4.054 5.517 0.017 8 0 "[ . 1]" 1
297 1 7 ALA MB 1 8 ALA MB 5.000 . 5.500 3.780 3.599 3.958 . 0 0 "[ . 1]" 1
298 1 8 ALA MB 1 9 ILE MD 5.000 . 5.500 3.238 2.197 4.068 . 0 0 "[ . 1]" 1
299 1 8 ALA MB 1 12 LEU MD2 4.000 . 4.500 3.976 3.097 4.429 . 0 0 "[ . 1]" 1
300 1 9 ILE HB 1 9 ILE MD 3.000 . 3.500 3.093 2.258 3.203 . 0 0 "[ . 1]" 1
301 1 9 ILE HA 1 12 LEU QB 5.000 . 5.500 3.053 2.318 4.893 . 0 0 "[ . 1]" 1
302 1 9 ILE MD 1 12 LEU MD2 5.000 . 5.500 3.737 2.908 4.820 . 0 0 "[ . 1]" 1
303 1 9 ILE MD 1 28 LEU MD1 5.000 . 5.500 5.191 4.677 5.684 0.184 3 0 "[ . 1]" 1
304 1 9 ILE MD 1 28 LEU MD2 5.000 . 5.500 5.262 4.948 5.521 0.021 1 0 "[ . 1]" 1
305 1 9 ILE MD 1 45 ALA HA 5.000 . 5.500 3.542 2.531 3.998 . 0 0 "[ . 1]" 1
306 1 9 ILE MD 1 45 ALA MB 5.000 . 5.500 3.466 2.914 4.169 . 0 0 "[ . 1]" 1
307 1 9 ILE MG 1 45 ALA MB 4.000 . 4.500 4.349 4.073 4.935 0.435 3 0 "[ . 1]" 1
308 1 9 ILE MD 1 48 ALA MB 5.000 . 5.500 4.282 3.473 5.183 . 0 0 "[ . 1]" 1
309 1 12 LEU HA 1 12 LEU HG 4.000 . 4.500 2.502 2.265 3.550 . 0 0 "[ . 1]" 1
310 1 12 LEU HA 1 15 ALA MB 4.000 . 4.500 2.203 2.059 2.672 . 0 0 "[ . 1]" 1
311 1 12 LEU QB 1 48 ALA MB 5.000 . 5.500 5.055 4.453 5.508 0.008 4 0 "[ . 1]" 1
312 1 12 LEU MD2 1 15 ALA MB 5.500 . 6.000 4.489 4.125 5.036 . 0 0 "[ . 1]" 1
313 1 12 LEU MD2 1 24 VAL MG2 5.500 . 6.000 4.447 2.549 6.015 0.015 7 0 "[ . 1]" 1
314 1 12 LEU MD2 1 28 LEU MD2 5.000 . 5.500 4.290 2.586 4.948 . 0 0 "[ . 1]" 1
315 1 12 LEU MD2 1 31 ILE MD 5.000 . 5.500 5.137 4.113 5.532 0.032 6 0 "[ . 1]" 1
316 1 12 LEU MD2 1 45 ALA MB 5.000 . 5.500 4.991 3.949 5.445 . 0 0 "[ . 1]" 1
317 1 12 LEU MD2 1 48 ALA MB 5.000 . 5.500 5.108 4.832 5.511 0.011 8 0 "[ . 1]" 1
318 1 15 ALA MB 1 52 VAL MG2 5.500 . 6.000 5.903 5.532 6.071 0.071 7 0 "[ . 1]" 1
319 1 20 LYS HA 1 20 LYS QE 5.500 . 6.000 3.895 2.628 4.526 . 0 0 "[ . 1]" 1
320 1 20 LYS QD 1 53 PHE QE 5.000 . 5.500 4.339 3.224 5.093 . 0 0 "[ . 1]" 1
321 1 20 LYS QE 1 53 PHE QD 5.000 . 5.500 5.095 3.834 5.516 0.016 2 0 "[ . 1]" 1
322 1 20 LYS QG 1 56 THR MG 4.000 . 4.500 4.095 3.151 4.521 0.021 8 0 "[ . 1]" 1
323 1 20 LYS QD 1 56 THR MG 4.000 . 4.500 3.565 2.461 4.499 . 0 0 "[ . 1]" 1
324 1 20 LYS QE 1 56 THR MG 4.000 . 4.500 2.637 2.214 2.957 . 0 0 "[ . 1]" 1
325 1 22 ASP HA 1 25 LEU QB 5.000 . 5.500 2.744 2.232 4.313 . 0 0 "[ . 1]" 1
326 1 22 ASP HA 1 25 LEU MD1 5.000 . 5.500 4.432 2.936 5.511 0.011 9 0 "[ . 1]" 1
327 1 22 ASP HA 1 25 LEU MD2 5.000 . 5.500 3.427 2.203 3.904 . 0 0 "[ . 1]" 1
328 1 23 GLU QG 1 27 LEU MD1 5.000 . 5.500 3.394 2.233 4.504 . 0 0 "[ . 1]" 1
329 1 23 GLU QG 1 27 LEU MD2 5.000 . 5.500 4.242 3.512 5.301 . 0 0 "[ . 1]" 1
330 1 24 VAL HA 1 24 VAL HB 3.000 . 3.500 2.981 2.914 3.012 . 0 0 "[ . 1]" 1
331 1 24 VAL HA 1 27 LEU QB 4.000 . 4.500 2.917 2.320 3.767 . 0 0 "[ . 1]" 1
332 1 16 PHE QD 1 24 VAL MG2 5.000 . 5.500 3.452 2.162 4.900 . 0 0 "[ . 1]" 1
333 1 16 PHE QE 1 24 VAL MG2 5.000 . 5.500 4.404 2.815 5.522 0.022 7 0 "[ . 1]" 1
334 1 24 VAL MG1 1 28 LEU MD1 4.000 . 4.500 3.002 2.004 4.223 . 0 0 "[ . 1]" 1
335 1 24 VAL MG1 1 28 LEU MD2 4.000 . 4.500 2.924 2.065 4.474 . 0 0 "[ . 1]" 1
336 1 24 VAL MG2 1 28 LEU MD2 6.000 . 6.500 4.469 3.019 6.139 . 0 0 "[ . 1]" 1
337 1 24 VAL MG1 1 52 VAL MG1 4.000 . 4.500 4.062 3.036 4.550 0.050 9 0 "[ . 1]" 1
338 1 24 VAL MG1 1 52 VAL MG2 4.000 . 4.500 4.395 4.062 4.586 0.086 3 0 "[ . 1]" 1
339 1 24 VAL MG2 1 52 VAL MG1 5.500 . 6.000 5.242 4.459 5.998 . 0 0 "[ . 1]" 1
340 1 24 VAL MG2 1 52 VAL MG2 5.500 . 6.000 5.452 5.090 5.914 . 0 0 "[ . 1]" 1
341 1 25 LEU HA 1 25 LEU HG 4.000 . 4.500 2.796 2.344 3.605 . 0 0 "[ . 1]" 1
342 1 25 LEU HA 1 28 LEU QB 5.000 . 5.500 2.813 2.284 3.449 . 0 0 "[ . 1]" 1
343 1 25 LEU HA 1 28 LEU MD1 5.000 . 5.500 4.612 3.345 5.498 . 0 0 "[ . 1]" 1
344 1 25 LEU HA 1 28 LEU MD2 5.000 . 5.500 4.320 3.356 5.346 . 0 0 "[ . 1]" 1
345 1 25 LEU MD1 1 29 LEU MD1 5.000 . 5.500 3.350 1.889 4.678 . 0 0 "[ . 1]" 1
346 1 25 LEU MD1 1 29 LEU MD2 5.000 . 5.500 2.814 1.934 3.421 . 0 0 "[ . 1]" 1
347 1 25 LEU MD2 1 29 LEU MD1 5.000 . 5.500 3.834 2.521 4.863 . 0 0 "[ . 1]" 1
348 1 25 LEU MD2 1 29 LEU MD2 5.000 . 5.500 3.492 2.809 5.270 . 0 0 "[ . 1]" 1
349 1 25 LEU MD1 1 53 PHE HZ 5.000 . 5.500 2.973 2.265 4.474 . 0 0 "[ . 1]" 1
350 1 25 LEU MD1 1 53 PHE QE 5.000 . 5.500 3.016 2.353 4.388 . 0 0 "[ . 1]" 1
351 1 25 LEU MD1 1 53 PHE QD 5.000 . 5.500 3.946 3.270 5.357 . 0 0 "[ . 1]" 1
352 1 25 LEU MD2 1 53 PHE HZ 5.000 . 5.500 3.004 2.289 3.934 . 0 0 "[ . 1]" 1
353 1 25 LEU MD2 1 53 PHE QE 5.000 . 5.500 3.324 2.225 4.297 . 0 0 "[ . 1]" 1
354 1 25 LEU MD2 1 53 PHE QD 5.000 . 5.500 4.714 3.077 5.519 0.019 10 0 "[ . 1]" 1
355 1 25 LEU MD1 1 61 ILE MD 5.000 . 5.500 2.899 2.232 4.153 . 0 0 "[ . 1]" 1
356 1 25 LEU MD2 1 61 ILE MD 5.000 . 5.500 3.927 2.296 4.733 . 0 0 "[ . 1]" 1
357 1 26 GLY QA 1 29 LEU QB 4.000 . 4.500 3.105 2.796 3.600 . 0 0 "[ . 1]" 1
358 1 27 LEU HA 1 27 LEU HG 4.000 . 4.500 2.528 2.272 3.118 . 0 0 "[ . 1]" 1
359 1 27 LEU MD1 1 31 ILE MD 6.000 . 6.500 4.366 3.100 5.189 . 0 0 "[ . 1]" 1
360 1 27 LEU HA 1 30 PRO QB 4.000 . 4.500 4.206 4.103 4.370 . 0 0 "[ . 1]" 1
361 1 27 LEU HA 1 30 PRO QG 5.000 . 5.500 2.303 2.217 2.444 . 0 0 "[ . 1]" 1
362 1 27 LEU HA 1 30 PRO QD 5.000 . 5.500 3.095 2.755 3.254 . 0 0 "[ . 1]" 1
363 1 28 LEU HA 1 28 LEU HG 4.000 . 4.500 2.695 2.259 3.568 . 0 0 "[ . 1]" 1
364 1 28 LEU HA 1 31 ILE HB 5.000 . 5.500 2.905 2.472 4.875 . 0 0 "[ . 1]" 1
365 1 28 LEU HA 1 31 ILE MG 4.000 . 4.500 4.026 3.756 4.287 . 0 0 "[ . 1]" 1
366 1 28 LEU HA 1 31 ILE MD 4.000 . 4.500 2.696 2.116 3.102 . 0 0 "[ . 1]" 1
367 1 28 LEU MD1 1 31 ILE MD 5.000 . 5.500 3.584 2.538 5.336 . 0 0 "[ . 1]" 1
368 1 28 LEU MD2 1 31 ILE MD 5.000 . 5.500 4.132 2.935 5.176 . 0 0 "[ . 1]" 1
369 1 28 LEU MD1 1 45 ALA HA 5.000 . 5.500 4.327 3.329 5.319 . 0 0 "[ . 1]" 1
370 1 28 LEU MD2 1 45 ALA HA 5.000 . 5.500 4.161 3.203 5.490 . 0 0 "[ . 1]" 1
371 1 28 LEU MD1 1 45 ALA MB 5.000 . 5.500 3.005 2.012 3.851 . 0 0 "[ . 1]" 1
372 1 28 LEU MD2 1 45 ALA MB 4.000 . 4.500 2.852 2.022 3.907 . 0 0 "[ . 1]" 1
373 1 28 LEU MD2 1 48 ALA MB 5.000 . 5.500 4.157 2.980 5.449 . 0 0 "[ . 1]" 1
374 1 28 LEU MD1 1 49 LEU MD2 5.000 . 5.500 4.368 2.732 5.437 . 0 0 "[ . 1]" 1
375 1 28 LEU MD2 1 49 LEU MD2 5.000 . 5.500 3.930 1.805 5.066 . 0 0 "[ . 1]" 1
376 1 29 LEU HA 1 29 LEU HG 4.000 . 4.500 3.023 2.249 3.569 . 0 0 "[ . 1]" 1
377 1 29 LEU HA 1 32 ALA MB 4.000 . 4.500 2.373 2.289 2.590 . 0 0 "[ . 1]" 1
378 1 29 LEU MD1 1 60 ASP HA 5.500 . 6.000 4.452 3.305 5.777 . 0 0 "[ . 1]" 1
379 1 29 LEU MD2 1 60 ASP HA 5.500 . 6.000 4.574 3.717 5.396 . 0 0 "[ . 1]" 1
380 1 29 LEU MD1 1 60 ASP QB 4.000 . 4.500 3.195 2.252 4.077 . 0 0 "[ . 1]" 1
381 1 29 LEU MD2 1 60 ASP QB 4.000 . 4.500 3.002 2.164 4.010 . 0 0 "[ . 1]" 1
382 1 29 LEU MD1 1 61 ILE HA 5.000 . 5.500 2.762 2.286 3.121 . 0 0 "[ . 1]" 1
383 1 29 LEU MD1 1 61 ILE MD 5.000 . 5.500 4.852 3.902 5.507 0.007 10 0 "[ . 1]" 1
384 1 29 LEU MD2 1 61 ILE MD 5.000 . 5.500 4.661 4.124 5.346 . 0 0 "[ . 1]" 1
385 1 29 LEU MD1 1 61 ILE MG 4.000 . 4.500 3.832 2.282 4.512 0.012 10 0 "[ . 1]" 1
386 1 29 LEU MD2 1 61 ILE MG 4.000 . 4.500 3.967 3.569 4.511 0.011 6 0 "[ . 1]" 1
387 1 29 LEU MD1 1 64 SER HA 5.000 . 5.500 4.676 3.493 5.571 0.071 7 0 "[ . 1]" 1
388 1 29 LEU MD2 1 64 SER HA 5.000 . 5.500 5.121 3.972 5.523 0.023 3 0 "[ . 1]" 1
389 1 29 LEU MD1 1 64 SER QB 5.000 . 5.500 2.655 1.963 3.453 . 0 0 "[ . 1]" 1
390 1 29 LEU MD2 1 64 SER QB 5.000 . 5.500 3.108 2.056 3.695 . 0 0 "[ . 1]" 1
391 1 30 PRO HA 1 30 PRO QD 4.000 . 4.500 3.143 3.116 3.168 . 0 0 "[ . 1]" 1
392 1 30 PRO HA 1 33 ALA MB 4.000 . 4.500 2.883 2.516 3.257 . 0 0 "[ . 1]" 1
393 1 31 ILE HB 1 31 ILE MD 3.000 . 3.500 2.318 2.289 2.364 . 0 0 "[ . 1]" 1
394 1 31 ILE MD 1 37 LEU MD1 5.000 . 5.500 4.715 4.045 5.236 . 0 0 "[ . 1]" 1
395 1 31 ILE MD 1 37 LEU MD2 6.000 . 6.500 5.378 4.892 5.770 . 0 0 "[ . 1]" 1
396 1 31 ILE MG 1 37 LEU MD1 5.000 . 5.500 2.643 2.025 4.048 . 0 0 "[ . 1]" 1
397 1 31 ILE MG 1 37 LEU MD2 5.000 . 5.500 3.479 2.940 4.599 . 0 0 "[ . 1]" 1
398 1 31 ILE MG 1 41 THR MG 5.000 . 5.500 4.946 3.572 5.506 0.006 10 0 "[ . 1]" 1
399 1 31 ILE MD 1 45 ALA MB 5.000 . 5.500 4.742 2.978 5.365 . 0 0 "[ . 1]" 1
400 1 31 ILE MG 1 45 ALA MB 5.000 . 5.500 4.062 3.004 5.240 . 0 0 "[ . 1]" 1
401 1 31 ILE HB 1 45 ALA MB 5.000 . 5.500 4.781 3.932 5.503 0.003 3 0 "[ . 1]" 1
402 1 32 ALA HA 1 45 ALA MB 5.000 . 5.500 4.176 3.137 5.387 . 0 0 "[ . 1]" 1
403 1 32 ALA MB 1 42 ALA MB 5.000 . 5.500 3.472 3.211 4.100 . 0 0 "[ . 1]" 1
404 1 32 ALA MB 1 45 ALA MB 4.000 . 4.500 3.593 2.179 4.503 0.003 2 0 "[ . 1]" 1
405 1 32 ALA MB 1 64 SER QB 5.000 . 5.500 2.836 1.952 4.257 . 0 0 "[ . 1]" 1
406 1 32 ALA MB 1 49 LEU MD1 5.000 . 5.500 3.736 3.048 5.518 0.018 6 0 "[ . 1]" 1
407 1 33 ALA HA 1 64 SER QB 5.000 . 5.500 3.784 3.265 4.668 . 0 0 "[ . 1]" 1
408 1 29 LEU MD1 1 33 ALA MB 5.000 . 5.500 4.408 3.182 5.504 0.004 1 0 "[ . 1]" 1
409 1 29 LEU MD2 1 33 ALA MB 5.000 . 5.500 5.051 3.523 5.507 0.007 5 0 "[ . 1]" 1
410 1 33 ALA MB 1 64 SER HA 5.000 . 5.500 3.416 2.899 4.034 . 0 0 "[ . 1]" 1
411 1 33 ALA MB 1 64 SER QB 4.000 . 4.500 3.226 2.480 4.390 . 0 0 "[ . 1]" 1
412 1 33 ALA MB 1 67 ASP QB 5.500 . 6.000 3.514 2.769 4.608 . 0 0 "[ . 1]" 1
413 1 34 SER QB 1 37 LEU QB 5.000 . 5.500 5.131 4.068 5.475 . 0 0 "[ . 1]" 1
414 1 34 SER QB 1 37 LEU HG 5.000 . 5.500 3.957 3.598 4.397 . 0 0 "[ . 1]" 1
415 1 34 SER QB 1 37 LEU MD1 5.000 . 5.500 4.028 3.516 4.611 . 0 0 "[ . 1]" 1
416 1 34 SER QB 1 37 LEU MD2 5.000 . 5.500 3.797 2.105 5.475 . 0 0 "[ . 1]" 1
417 1 35 THR HA 1 35 THR HB 3.000 . 3.500 2.496 2.338 2.553 . 0 0 "[ . 1]" 1
418 1 35 THR MG 1 67 ASP QB 5.000 . 5.500 5.156 3.347 5.521 0.021 6 0 "[ . 1]" 1
419 1 37 LEU HA 1 37 LEU HG 4.000 . 4.500 3.559 3.518 3.576 . 0 0 "[ . 1]" 1
420 1 37 LEU HA 1 38 PRO QD 4.000 . 4.500 2.094 2.073 2.125 . 0 0 "[ . 1]" 1
421 1 37 LEU QB 1 38 PRO QD 5.000 . 5.500 2.168 1.966 2.219 . 0 0 "[ . 1]" 1
422 1 37 LEU MD1 1 38 PRO QD 5.000 . 5.500 3.884 3.582 3.994 . 0 0 "[ . 1]" 1
423 1 37 LEU MD2 1 38 PRO QD 4.000 . 4.500 4.272 3.653 4.444 . 0 0 "[ . 1]" 1
424 1 38 PRO HA 1 38 PRO QD 4.000 . 4.500 3.149 3.079 3.497 . 0 0 "[ . 1]" 1
425 1 39 ILE HB 1 39 ILE MD 3.000 . 3.500 2.295 2.239 2.348 . 0 0 "[ . 1]" 1
426 1 39 ILE HA 1 42 ALA MB 4.000 . 4.500 2.437 2.280 2.733 . 0 0 "[ . 1]" 1
427 1 39 ILE MD 1 42 ALA MB 5.000 . 5.500 4.985 4.274 5.409 . 0 0 "[ . 1]" 1
428 1 39 ILE MD 1 43 ALA MB 5.000 . 5.500 4.695 3.919 5.353 . 0 0 "[ . 1]" 1
429 1 39 ILE MD 1 72 ARG QD 5.000 . 5.500 5.099 4.464 5.512 0.012 7 0 "[ . 1]" 1
430 1 39 ILE MD 1 73 THR HA 6.000 . 6.500 4.992 3.998 6.293 . 0 0 "[ . 1]" 1
431 1 39 ILE MD 1 76 GLU HA 5.000 . 5.500 4.099 2.351 5.112 . 0 0 "[ . 1]" 1
432 1 39 ILE MD 1 76 GLU QB 5.000 . 5.500 4.392 2.210 5.349 . 0 0 "[ . 1]" 1
433 1 39 ILE MD 1 76 GLU QG 5.000 . 5.500 4.737 3.051 5.505 0.005 6 0 "[ . 1]" 1
434 1 39 ILE MD 1 77 LEU MD2 5.000 . 5.500 5.406 5.095 5.548 0.048 9 0 "[ . 1]" 1
435 1 39 ILE QG 1 81 TRP HD1 5.000 . 5.500 4.204 3.830 5.226 . 0 0 "[ . 1]" 1
436 1 41 THR HA 1 41 THR HB 3.000 . 3.500 2.761 2.448 3.027 . 0 0 "[ . 1]" 1
437 1 42 ALA HA 1 45 ALA MB 4.000 . 4.500 2.613 2.338 2.900 . 0 0 "[ . 1]" 1
438 1 37 LEU MD1 1 42 ALA MB 5.000 . 5.500 3.224 2.565 3.780 . 0 0 "[ . 1]" 1
439 1 37 LEU MD2 1 42 ALA MB 5.000 . 5.500 4.970 4.284 5.501 0.001 5 0 "[ . 1]" 1
440 1 42 ALA MB 1 45 ALA MB 5.000 . 5.500 3.838 3.636 4.149 . 0 0 "[ . 1]" 1
441 1 43 ALA HA 1 46 SER QB 4.000 . 4.500 2.909 2.370 3.647 . 0 0 "[ . 1]" 1
442 1 43 ALA MB 1 84 PHE QB 5.000 . 5.500 4.099 2.968 4.883 . 0 0 "[ . 1]" 1
443 1 43 ALA MB 1 85 LEU MD2 5.000 . 5.500 5.087 3.997 5.478 . 0 0 "[ . 1]" 1
444 1 45 ALA HA 1 48 ALA MB 4.000 . 4.500 2.971 2.623 3.384 . 0 0 "[ . 1]" 1
445 1 45 ALA MB 1 48 ALA MB 5.000 . 5.500 4.040 3.702 4.363 . 0 0 "[ . 1]" 1
446 1 46 SER HA 1 49 LEU QB 4.000 . 4.500 2.605 2.440 3.083 . 0 0 "[ . 1]" 1
447 1 46 SER QB 1 65 ILE MD 5.000 . 5.500 3.149 2.278 4.353 . 0 0 "[ . 1]" 1
448 1 46 SER QB 1 65 ILE MG 5.000 . 5.500 5.201 4.546 5.512 0.012 5 0 "[ . 1]" 1
449 1 46 SER QB 1 88 ALA MB 5.000 . 5.500 4.168 3.281 5.181 . 0 0 "[ . 1]" 1
450 1 47 LEU HA 1 47 LEU HG 4.000 . 4.500 2.501 2.269 3.628 . 0 0 "[ . 1]" 1
451 1 47 LEU HA 1 50 ALA MB 4.000 . 4.500 2.966 2.767 3.268 . 0 0 "[ . 1]" 1
452 1 47 LEU MD1 1 84 PHE QD 5.000 . 5.500 2.981 2.232 4.153 . 0 0 "[ . 1]" 1
453 1 47 LEU MD1 1 84 PHE QE 5.000 . 5.500 3.783 2.855 5.044 . 0 0 "[ . 1]" 1
454 1 47 LEU MD2 1 84 PHE QD 5.000 . 5.500 4.144 3.080 5.017 . 0 0 "[ . 1]" 1
455 1 47 LEU MD2 1 84 PHE QE 5.000 . 5.500 4.703 3.187 5.508 0.008 3 0 "[ . 1]" 1
456 1 16 PHE QD 1 48 ALA MB 5.000 . 5.500 3.607 2.271 4.729 . 0 0 "[ . 1]" 1
457 1 16 PHE QE 1 48 ALA MB 4.000 . 4.500 2.928 2.276 3.698 . 0 0 "[ . 1]" 1
458 1 16 PHE HZ 1 48 ALA MB 4.000 . 4.500 4.049 2.914 4.524 0.024 2 0 "[ . 1]" 1
459 1 49 LEU HA 1 52 VAL HB 4.000 . 4.500 3.307 2.409 4.513 0.013 3 0 "[ . 1]" 1
460 1 49 LEU HA 1 52 VAL MG1 5.000 . 5.500 3.713 2.154 4.866 . 0 0 "[ . 1]" 1
461 1 49 LEU HA 1 52 VAL MG2 5.000 . 5.500 3.574 2.712 5.271 . 0 0 "[ . 1]" 1
462 1 49 LEU HA 1 61 ILE MD 6.000 . 6.500 5.220 4.533 6.032 . 0 0 "[ . 1]" 1
463 1 24 VAL MG1 1 49 LEU MD2 5.000 . 5.500 3.551 2.407 4.363 . 0 0 "[ . 1]" 1
464 1 24 VAL MG2 1 49 LEU MD2 6.000 . 6.500 5.731 4.586 6.507 0.007 7 0 "[ . 1]" 1
465 1 25 LEU HA 1 49 LEU MD2 5.000 . 5.500 3.502 2.493 4.012 . 0 0 "[ . 1]" 1
466 1 25 LEU MD1 1 49 LEU MD1 5.000 . 5.500 2.868 2.001 4.325 . 0 0 "[ . 1]" 1
467 1 25 LEU MD2 1 49 LEU MD1 5.000 . 5.500 4.317 2.223 5.090 . 0 0 "[ . 1]" 1
468 1 29 LEU MD1 1 49 LEU MD1 5.000 . 5.500 3.660 2.364 4.674 . 0 0 "[ . 1]" 1
469 1 29 LEU MD2 1 49 LEU MD1 5.000 . 5.500 3.431 2.308 4.884 . 0 0 "[ . 1]" 1
470 1 49 LEU MD2 1 52 VAL MG1 5.000 . 5.500 3.480 2.179 4.429 . 0 0 "[ . 1]" 1
471 1 49 LEU MD2 1 52 VAL MG2 5.000 . 5.500 4.082 3.393 5.005 . 0 0 "[ . 1]" 1
472 1 49 LEU MD2 1 53 PHE HZ 5.000 . 5.500 4.685 3.912 5.344 . 0 0 "[ . 1]" 1
473 1 49 LEU MD2 1 53 PHE QE 4.000 . 4.500 3.197 2.085 3.730 . 0 0 "[ . 1]" 1
474 1 49 LEU MD2 1 53 PHE QD 4.000 . 4.500 2.639 2.198 3.954 . 0 0 "[ . 1]" 1
475 1 49 LEU MD1 1 61 ILE MD 5.000 . 5.500 3.437 2.253 4.473 . 0 0 "[ . 1]" 1
476 1 49 LEU MD2 1 61 ILE MD 4.500 . 5.000 2.815 2.053 4.807 . 0 0 "[ . 1]" 1
477 1 49 LEU MD1 1 61 ILE MG 5.000 . 5.500 2.765 2.002 3.725 . 0 0 "[ . 1]" 1
478 1 49 LEU MD2 1 61 ILE MG 5.000 . 5.500 3.323 2.614 5.172 . 0 0 "[ . 1]" 1
479 1 49 LEU MD1 1 65 ILE MD 6.000 . 6.500 4.731 4.279 5.355 . 0 0 "[ . 1]" 1
480 1 25 LEU MD1 1 49 LEU MD2 4.000 . 4.500 2.684 1.997 4.352 . 0 0 "[ . 1]" 1
481 1 25 LEU MD2 1 49 LEU MD2 5.000 . 5.500 4.242 1.902 5.360 . 0 0 "[ . 1]" 1
482 1 29 LEU MD1 1 49 LEU MD2 5.000 . 5.500 4.775 3.419 5.529 0.029 3 0 "[ . 1]" 1
483 1 29 LEU MD2 1 49 LEU MD2 5.000 . 5.500 4.537 3.525 5.529 0.029 5 0 "[ . 1]" 1
484 1 47 LEU MD2 1 50 ALA MB 4.000 . 4.500 3.669 2.795 4.519 0.019 4 0 "[ . 1]" 1
485 1 50 ALA HA 1 61 ILE MG 5.000 . 5.500 4.194 3.822 4.661 . 0 0 "[ . 1]" 1
486 1 50 ALA HA 1 88 ALA MB 5.000 . 5.500 5.482 5.357 5.512 0.012 4 0 "[ . 1]" 1
487 1 50 ALA MB 1 88 ALA HA 4.000 . 4.500 3.629 3.092 4.265 . 0 0 "[ . 1]" 1
488 1 50 ALA MB 1 88 ALA MB 4.000 . 4.500 3.138 2.965 3.302 . 0 0 "[ . 1]" 1
489 1 50 ALA HA 1 92 LEU MD1 4.000 . 4.500 3.806 2.815 4.503 0.003 5 0 "[ . 1]" 1
490 1 50 ALA MB 1 92 LEU MD1 5.000 . 5.500 3.535 2.620 4.217 . 0 0 "[ . 1]" 1
491 1 50 ALA MB 1 92 LEU MD2 6.000 . 6.500 4.397 2.847 5.403 . 0 0 "[ . 1]" 1
492 1 17 ALA MB 1 52 VAL HA 5.000 . 5.500 5.182 4.343 5.526 0.026 10 0 "[ . 1]" 1
493 1 17 ALA HA 1 52 VAL MG1 5.000 . 5.500 3.675 2.275 5.531 0.031 3 0 "[ . 1]" 1
494 1 17 ALA HA 1 52 VAL MG2 5.000 . 5.500 3.540 2.078 5.232 . 0 0 "[ . 1]" 1
495 1 17 ALA MB 1 52 VAL MG1 5.000 . 5.500 4.222 3.112 5.379 . 0 0 "[ . 1]" 1
496 1 17 ALA MB 1 52 VAL MG2 5.000 . 5.500 3.763 2.985 4.517 . 0 0 "[ . 1]" 1
497 1 16 PHE HA 1 52 VAL MG2 5.000 . 5.500 4.604 3.650 5.519 0.019 8 0 "[ . 1]" 1
498 1 16 PHE QB 1 52 VAL MG2 5.000 . 5.500 2.646 1.927 4.793 . 0 0 "[ . 1]" 1
499 1 52 VAL MG1 1 53 PHE QD 5.000 . 5.500 2.568 2.161 3.113 . 0 0 "[ . 1]" 1
500 1 52 VAL MG1 1 53 PHE QE 5.000 . 5.500 3.450 3.075 3.806 . 0 0 "[ . 1]" 1
501 1 52 VAL MG1 1 53 PHE HZ 5.000 . 5.500 5.209 4.784 5.525 0.025 7 0 "[ . 1]" 1
502 1 54 VAL MG1 1 55 GLY QA 4.000 . 4.500 3.109 2.966 3.203 . 0 0 "[ . 1]" 1
503 1 54 VAL MG2 1 55 GLY QA 4.000 . 4.500 3.701 3.580 3.822 . 0 0 "[ . 1]" 1
504 1 56 THR HA 1 56 THR HB 3.000 . 3.500 2.462 2.317 2.577 . 0 0 "[ . 1]" 1
505 1 56 THR MG 1 57 CYS QB 5.000 . 5.500 5.177 4.782 5.489 . 0 0 "[ . 1]" 1
506 1 53 PHE QD 1 56 THR MG 4.000 . 4.500 3.689 2.296 4.349 . 0 0 "[ . 1]" 1
507 1 53 PHE QE 1 56 THR MG 5.000 . 5.500 3.898 3.032 4.625 . 0 0 "[ . 1]" 1
508 1 53 PHE QD 1 57 CYS HA 4.000 . 4.500 3.481 2.772 3.898 . 0 0 "[ . 1]" 1
509 1 53 PHE QD 1 57 CYS QB 6.000 . 6.500 5.069 4.494 5.565 . 0 0 "[ . 1]" 1
510 1 58 ASN HA 1 61 ILE MD 5.000 . 5.500 4.664 4.305 5.096 . 0 0 "[ . 1]" 1
511 1 58 ASN QB 1 61 ILE MD 4.000 . 4.500 2.433 2.189 2.852 . 0 0 "[ . 1]" 1
512 1 58 ASN QB 1 92 LEU MD1 5.000 . 5.500 4.926 4.358 5.518 0.018 1 0 "[ . 1]" 1
513 1 59 GLY QA 1 62 THR HB 4.000 . 4.500 3.127 2.736 3.565 . 0 0 "[ . 1]" 1
514 1 59 GLY QA 1 62 THR MG 5.000 . 5.500 4.186 3.810 4.689 . 0 0 "[ . 1]" 1
515 1 60 ASP HA 1 63 THR HB 4.000 . 4.500 3.154 2.437 4.293 . 0 0 "[ . 1]" 1
516 1 60 ASP HA 1 63 THR MG 5.000 . 5.500 3.695 2.075 4.366 . 0 0 "[ . 1]" 1
517 1 61 ILE HB 1 61 ILE MD 3.000 . 3.500 2.292 2.251 2.319 . 0 0 "[ . 1]" 1
518 1 61 ILE HA 1 64 SER QB 4.000 . 4.500 3.635 2.851 4.484 . 0 0 "[ . 1]" 1
519 1 53 PHE QD 1 61 ILE MD 4.000 . 4.500 2.748 2.083 3.080 . 0 0 "[ . 1]" 1
520 1 53 PHE QE 1 61 ILE MD 5.000 . 5.500 3.463 3.037 3.996 . 0 0 "[ . 1]" 1
521 1 61 ILE HB 1 92 LEU MD1 5.000 . 5.500 3.220 2.517 4.294 . 0 0 "[ . 1]" 1
522 1 61 ILE HB 1 92 LEU MD2 5.000 . 5.500 3.416 2.323 4.317 . 0 0 "[ . 1]" 1
523 1 61 ILE MG 1 92 LEU MD1 5.000 . 5.500 2.970 2.104 4.272 . 0 0 "[ . 1]" 1
524 1 61 ILE MG 1 92 LEU MD2 5.000 . 5.500 2.912 2.165 3.562 . 0 0 "[ . 1]" 1
525 1 61 ILE MD 1 92 LEU MD1 5.000 . 5.500 2.937 2.388 3.763 . 0 0 "[ . 1]" 1
526 1 61 ILE MD 1 92 LEU MD2 5.000 . 5.500 3.883 2.420 4.695 . 0 0 "[ . 1]" 1
527 1 62 THR HA 1 62 THR HB 3.000 . 3.500 3.022 3.015 3.028 . 0 0 "[ . 1]" 1
528 1 62 THR HA 1 65 ILE MD 5.000 . 5.500 3.353 2.896 4.998 . 0 0 "[ . 1]" 1
529 1 62 THR HA 1 65 ILE MG 5.000 . 5.500 2.981 2.173 3.200 . 0 0 "[ . 1]" 1
530 1 62 THR HA 1 89 LEU QD 5.000 . 5.500 2.973 2.402 3.668 . 0 0 "[ . 1]" 1
531 1 62 THR HB 1 89 LEU QD 5.000 . 5.500 4.041 3.692 4.721 . 0 0 "[ . 1]" 1
532 1 62 THR MG 1 66 MET QG 4.000 . 4.500 4.203 3.843 4.433 . 0 0 "[ . 1]" 1
533 1 62 THR MG 1 66 MET ME 4.000 . 4.500 4.020 2.851 4.521 0.021 1 0 "[ . 1]" 1
534 1 62 THR MG 1 89 LEU MD1 5.000 . 5.500 3.632 2.192 5.006 . 0 0 "[ . 1]" 1
535 1 62 THR MG 1 89 LEU MD2 5.000 . 5.500 3.818 3.035 4.923 . 0 0 "[ . 1]" 1
536 1 62 THR MG 1 93 TYR QE 5.000 . 5.500 2.833 2.371 3.346 . 0 0 "[ . 1]" 1
537 1 62 THR MG 1 93 TYR QD 5.000 . 5.500 4.629 4.226 5.210 . 0 0 "[ . 1]" 1
538 1 62 THR MG 1 103 VAL MG1 5.000 . 5.500 3.682 3.298 4.072 . 0 0 "[ . 1]" 1
539 1 62 THR MG 1 103 VAL MG2 5.000 . 5.500 3.205 2.671 3.589 . 0 0 "[ . 1]" 1
540 1 63 THR HA 1 63 THR HB 3.000 . 3.500 2.924 2.417 3.028 . 0 0 "[ . 1]" 1
541 1 63 THR HA 1 66 MET QB 4.000 . 4.500 3.016 2.653 3.270 . 0 0 "[ . 1]" 1
542 1 63 THR HA 1 66 MET QG 5.000 . 5.500 4.698 4.353 4.886 . 0 0 "[ . 1]" 1
543 1 64 SER HA 1 67 ASP QB 4.000 . 4.500 2.705 2.492 3.140 . 0 0 "[ . 1]" 1
544 1 65 ILE HB 1 65 ILE MD 3.000 . 3.500 2.253 2.230 2.300 . 0 0 "[ . 1]" 1
545 1 65 ILE HA 1 68 ASN QB 5.000 . 5.500 3.233 2.788 3.728 . 0 0 "[ . 1]" 1
546 1 50 ALA MB 1 65 ILE MD 5.000 . 5.500 4.025 3.493 4.529 . 0 0 "[ . 1]" 1
547 1 65 ILE MD 1 88 ALA HA 5.000 . 5.500 5.215 4.925 5.520 0.020 8 0 "[ . 1]" 1
548 1 65 ILE MD 1 88 ALA MB 4.000 . 4.500 3.065 2.834 3.271 . 0 0 "[ . 1]" 1
549 1 65 ILE MD 1 89 LEU HA 5.000 . 5.500 3.981 3.395 4.585 . 0 0 "[ . 1]" 1
550 1 65 ILE MD 1 89 LEU MD1 5.000 . 5.500 3.565 2.710 4.385 . 0 0 "[ . 1]" 1
551 1 65 ILE MD 1 89 LEU MD2 5.000 . 5.500 4.505 3.081 5.467 . 0 0 "[ . 1]" 1
552 1 65 ILE MD 1 92 LEU MD1 5.000 . 5.500 3.831 3.145 5.095 . 0 0 "[ . 1]" 1
553 1 65 ILE MD 1 92 LEU MD2 5.000 . 5.500 2.810 2.053 3.812 . 0 0 "[ . 1]" 1
554 1 65 ILE MG 1 69 PHE QD 5.000 . 5.500 2.892 2.309 4.086 . 0 0 "[ . 1]" 1
555 1 65 ILE MG 1 69 PHE QE 5.000 . 5.500 3.516 2.173 4.922 . 0 0 "[ . 1]" 1
556 1 66 MET HA 1 66 MET ME 5.000 . 5.500 2.802 2.283 3.600 . 0 0 "[ . 1]" 1
557 1 66 MET QB 1 66 MET ME 4.000 . 4.500 3.134 2.287 3.664 . 0 0 "[ . 1]" 1
558 1 66 MET HA 1 69 PHE QB 4.000 . 4.500 2.383 2.167 2.814 . 0 0 "[ . 1]" 1
559 1 66 MET QB 1 89 LEU MD1 5.000 . 5.500 4.752 4.188 5.406 . 0 0 "[ . 1]" 1
560 1 66 MET QB 1 89 LEU MD2 5.000 . 5.500 5.108 4.243 5.517 0.017 10 0 "[ . 1]" 1
561 1 66 MET QG 1 89 LEU MD1 5.000 . 5.500 5.285 4.898 5.526 0.026 3 0 "[ . 1]" 1
562 1 66 MET QG 1 89 LEU MD2 5.000 . 5.500 5.450 5.236 5.523 0.023 6 0 "[ . 1]" 1
563 1 66 MET QG 1 106 THR MG 5.000 . 5.500 3.780 3.087 4.509 . 0 0 "[ . 1]" 1
564 1 66 MET ME 1 69 PHE QD 5.000 . 5.500 3.640 2.951 4.646 . 0 0 "[ . 1]" 1
565 1 66 MET ME 1 70 LEU MD2 5.000 . 5.500 3.962 2.783 5.030 . 0 0 "[ . 1]" 1
566 1 66 MET ME 1 89 LEU MD1 4.000 . 4.500 3.782 3.205 4.375 . 0 0 "[ . 1]" 1
567 1 66 MET ME 1 89 LEU MD2 4.000 . 4.500 3.553 2.924 4.275 . 0 0 "[ . 1]" 1
568 1 66 MET ME 1 103 VAL HA 5.000 . 5.500 4.373 3.561 4.988 . 0 0 "[ . 1]" 1
569 1 66 MET ME 1 103 VAL MG1 4.000 . 4.500 2.557 2.018 3.031 . 0 0 "[ . 1]" 1
570 1 66 MET ME 1 103 VAL MG2 5.000 . 5.500 4.208 3.286 4.814 . 0 0 "[ . 1]" 1
571 1 66 MET ME 1 106 THR HB 4.000 . 4.500 3.733 2.630 4.456 . 0 0 "[ . 1]" 1
572 1 66 MET ME 1 106 THR MG 4.000 . 4.500 3.508 2.266 4.506 0.006 3 0 "[ . 1]" 1
573 1 66 MET ME 1 107 ILE HA 5.000 . 5.500 4.297 3.378 4.848 . 0 0 "[ . 1]" 1
574 1 66 MET ME 1 107 ILE QG 5.000 . 5.500 2.579 2.157 3.437 . 0 0 "[ . 1]" 1
575 1 66 MET ME 1 107 ILE MD 4.000 . 4.500 2.683 2.068 3.079 . 0 0 "[ . 1]" 1
576 1 66 MET ME 1 107 ILE MG 4.000 . 4.500 4.206 3.855 4.514 0.014 7 0 "[ . 1]" 1
577 1 67 ASP HA 1 70 LEU QB 4.000 . 4.500 3.211 2.771 3.557 . 0 0 "[ . 1]" 1
578 1 67 ASP HA 1 70 LEU MD1 5.000 . 5.500 3.444 2.379 5.495 . 0 0 "[ . 1]" 1
579 1 67 ASP HA 1 70 LEU MD2 5.000 . 5.500 4.318 3.463 5.364 . 0 0 "[ . 1]" 1
580 1 68 ASN HA 1 71 GLU QB 4.000 . 4.500 2.596 2.225 2.924 . 0 0 "[ . 1]" 1
581 1 68 ASN HA 1 71 GLU QG 4.000 . 4.500 4.203 3.655 4.517 0.017 5 0 "[ . 1]" 1
582 1 69 PHE HA 1 72 ARG QB 5.000 . 5.500 3.827 2.650 5.035 . 0 0 "[ . 1]" 1
583 1 69 PHE HA 1 72 ARG QG 5.000 . 5.500 3.700 2.406 5.086 . 0 0 "[ . 1]" 1
584 1 70 LEU HA 1 70 LEU HG 4.000 . 4.500 2.836 2.353 3.583 . 0 0 "[ . 1]" 1
585 1 70 LEU MD1 1 106 THR MG 5.000 . 5.500 4.133 3.325 4.943 . 0 0 "[ . 1]" 1
586 1 70 LEU MD2 1 106 THR MG 5.000 . 5.500 3.752 3.110 4.321 . 0 0 "[ . 1]" 1
587 1 70 LEU MD2 1 109 ALA MB 5.500 . 6.000 5.821 5.520 6.027 0.027 2 0 "[ . 1]" 1
588 1 70 LEU MD1 1 110 ILE MD 5.000 . 5.500 3.484 2.117 4.836 . 0 0 "[ . 1]" 1
589 1 70 LEU MD2 1 110 ILE MD 5.000 . 5.500 3.117 1.967 4.035 . 0 0 "[ . 1]" 1
590 1 73 THR HA 1 73 THR HB 3.000 . 3.500 2.744 2.524 3.020 . 0 0 "[ . 1]" 1
591 1 73 THR HA 1 74 ALA MB 5.000 . 5.500 4.177 4.096 4.253 . 0 0 "[ . 1]" 1
592 1 73 THR HA 1 75 ILE HB 5.000 . 5.500 4.884 4.705 5.011 . 0 0 "[ . 1]" 1
593 1 73 THR HA 1 75 ILE MG 5.000 . 5.500 5.464 5.376 5.542 0.042 5 0 "[ . 1]" 1
594 1 73 THR HA 1 75 ILE MD 5.000 . 5.500 5.495 5.356 5.539 0.039 7 0 "[ . 1]" 1
595 1 73 THR HB 1 74 ALA MB 4.000 . 4.500 4.136 3.648 4.525 0.025 3 0 "[ . 1]" 1
596 1 73 THR HB 1 75 ILE HB 5.000 . 5.500 2.689 2.281 3.445 . 0 0 "[ . 1]" 1
597 1 73 THR HB 1 75 ILE MG 5.000 . 5.500 4.023 3.519 4.747 . 0 0 "[ . 1]" 1
598 1 73 THR HB 1 75 ILE MD 5.000 . 5.500 3.318 3.168 3.649 . 0 0 "[ . 1]" 1
599 1 73 THR MG 1 75 ILE MD 5.000 . 5.500 3.565 2.985 4.338 . 0 0 "[ . 1]" 1
600 1 73 THR MG 1 76 GLU QG 5.000 . 5.500 5.402 5.134 5.570 0.070 1 0 "[ . 1]" 1
601 1 75 ILE HB 1 75 ILE MD 3.000 . 3.500 2.232 2.204 2.328 . 0 0 "[ . 1]" 1
602 1 75 ILE MG 1 76 GLU HA 4.000 . 4.500 3.119 3.042 3.217 . 0 0 "[ . 1]" 1
603 1 75 ILE MG 1 76 GLU QB 4.000 . 4.500 4.008 3.540 4.329 . 0 0 "[ . 1]" 1
604 1 75 ILE MG 1 76 GLU QG 4.000 . 4.500 4.151 3.196 4.498 . 0 0 "[ . 1]" 1
605 1 77 LEU HA 1 77 LEU HG 4.000 . 4.500 3.629 3.525 3.674 . 0 0 "[ . 1]" 1
606 1 82 VAL HA 1 85 LEU MD2 5.000 . 5.500 3.396 3.133 3.717 . 0 0 "[ . 1]" 1
607 1 82 VAL HB 1 85 LEU MD2 5.000 . 5.500 4.933 4.589 5.246 . 0 0 "[ . 1]" 1
608 1 82 VAL MG2 1 85 LEU MD2 4.000 . 4.500 3.687 3.226 4.015 . 0 0 "[ . 1]" 1
609 1 82 VAL MG1 1 118 ILE MD 5.000 . 5.500 4.187 2.803 4.961 . 0 0 "[ . 1]" 1
610 1 82 VAL MG2 1 118 ILE MD 5.000 . 5.500 2.549 2.047 4.663 . 0 0 "[ . 1]" 1
611 1 81 TRP HD1 1 82 VAL MG1 5.000 . 5.500 3.761 2.418 4.838 . 0 0 "[ . 1]" 1
612 1 81 TRP HD1 1 82 VAL MG2 5.000 . 5.500 3.881 2.575 4.458 . 0 0 "[ . 1]" 1
613 1 83 ARG HA 1 86 ALA MB 5.000 . 5.500 2.944 2.763 3.159 . 0 0 "[ . 1]" 1
614 1 85 LEU HA 1 88 ALA MB 5.000 . 5.500 2.863 2.552 3.154 . 0 0 "[ . 1]" 1
615 1 69 PHE QD 1 85 LEU MD1 5.000 . 5.500 4.270 3.325 5.301 . 0 0 "[ . 1]" 1
616 1 69 PHE QE 1 85 LEU MD1 5.000 . 5.500 3.843 2.793 4.523 . 0 0 "[ . 1]" 1
617 1 69 PHE HZ 1 85 LEU MD1 5.000 . 5.500 4.879 4.142 5.389 . 0 0 "[ . 1]" 1
618 1 69 PHE HA 1 85 LEU MD2 5.000 . 5.500 3.722 3.153 4.185 . 0 0 "[ . 1]" 1
619 1 69 PHE QD 1 85 LEU MD2 5.000 . 5.500 3.113 2.689 3.390 . 0 0 "[ . 1]" 1
620 1 69 PHE QE 1 85 LEU MD2 5.000 . 5.500 2.483 2.210 2.759 . 0 0 "[ . 1]" 1
621 1 69 PHE HZ 1 85 LEU MD2 5.000 . 5.500 2.757 2.408 2.978 . 0 0 "[ . 1]" 1
622 1 72 ARG HA 1 85 LEU MD2 5.500 . 6.000 5.720 5.405 5.991 . 0 0 "[ . 1]" 1
623 1 72 ARG QD 1 85 LEU MD2 5.000 . 5.500 4.436 3.327 5.348 . 0 0 "[ . 1]" 1
624 1 85 LEU MD2 1 89 LEU MD2 5.000 . 5.500 5.067 4.655 5.472 . 0 0 "[ . 1]" 1
625 1 85 LEU MD2 1 118 ILE MD 5.500 . 6.000 3.937 3.306 5.594 . 0 0 "[ . 1]" 1
626 1 86 ALA HA 1 118 ILE MG 5.000 . 5.500 3.887 3.439 5.415 . 0 0 "[ . 1]" 1
627 1 86 ALA HA 1 89 LEU QB 4.000 . 4.500 2.916 2.634 3.176 . 0 0 "[ . 1]" 1
628 1 86 ALA MB 1 118 ILE MG 5.000 . 5.500 3.237 2.026 4.694 . 0 0 "[ . 1]" 1
629 1 86 ALA MB 1 118 ILE MD 6.000 . 6.500 3.254 2.216 4.173 . 0 0 "[ . 1]" 1
630 1 82 VAL MG2 1 86 ALA MB 5.000 . 5.500 3.301 2.538 5.443 . 0 0 "[ . 1]" 1
631 1 88 ALA HA 1 91 ILE HB 5.000 . 5.500 3.656 2.607 4.629 . 0 0 "[ . 1]" 1
632 1 88 ALA MB 1 92 LEU MD2 4.000 . 4.500 4.272 3.084 4.498 . 0 0 "[ . 1]" 1
633 1 89 LEU HA 1 89 LEU HG 4.000 . 4.500 2.473 2.278 2.778 . 0 0 "[ . 1]" 1
634 1 89 LEU HA 1 92 LEU QB 4.000 . 4.500 2.606 2.402 2.989 . 0 0 "[ . 1]" 1
635 1 69 PHE QD 1 89 LEU MD1 5.000 . 5.500 3.283 2.460 4.712 . 0 0 "[ . 1]" 1
636 1 69 PHE QE 1 89 LEU MD1 5.000 . 5.500 2.586 2.127 4.058 . 0 0 "[ . 1]" 1
637 1 69 PHE HZ 1 89 LEU MD1 4.000 . 4.500 3.978 2.214 4.519 0.019 10 0 "[ . 1]" 1
638 1 89 LEU MD2 1 92 LEU MD2 5.000 . 5.500 4.139 2.400 5.371 . 0 0 "[ . 1]" 1
639 1 89 LEU MD2 1 103 VAL MG2 5.000 . 5.500 4.204 3.353 4.642 . 0 0 "[ . 1]" 1
640 1 89 LEU MD1 1 107 ILE MD 5.000 . 5.500 4.466 3.495 5.118 . 0 0 "[ . 1]" 1
641 1 89 LEU MD2 1 107 ILE MD 5.000 . 5.500 3.715 2.881 4.772 . 0 0 "[ . 1]" 1
642 1 89 LEU MD2 1 118 ILE MD 5.000 . 5.500 5.094 3.830 5.513 0.013 3 0 "[ . 1]" 1
643 1 89 LEU MD1 1 122 VAL MG1 5.000 . 5.500 5.301 5.049 5.515 0.015 7 0 "[ . 1]" 1
644 1 89 LEU MD1 1 122 VAL MG2 5.000 . 5.500 4.803 4.095 5.314 . 0 0 "[ . 1]" 1
645 1 89 LEU MD2 1 122 VAL MG1 5.000 . 5.500 3.944 2.774 5.222 . 0 0 "[ . 1]" 1
646 1 89 LEU MD2 1 122 VAL MG2 5.000 . 5.500 3.694 2.651 5.231 . 0 0 "[ . 1]" 1
647 1 92 LEU MD1 1 93 TYR QD 4.000 . 4.500 4.224 3.998 4.513 0.013 3 0 "[ . 1]" 1
648 1 92 LEU MD1 1 93 TYR QE 4.000 . 4.500 4.323 4.094 4.479 . 0 0 "[ . 1]" 1
649 1 92 LEU MD2 1 93 TYR QD 4.000 . 4.500 3.413 2.516 4.307 . 0 0 "[ . 1]" 1
650 1 92 LEU MD2 1 93 TYR QE 4.000 . 4.500 2.811 2.240 4.508 0.008 3 0 "[ . 1]" 1
651 1 94 MET HA 1 94 MET ME 5.000 . 5.500 4.319 4.202 4.452 . 0 0 "[ . 1]" 1
652 1 94 MET QB 1 94 MET ME 4.000 . 4.500 3.128 2.052 3.650 . 0 0 "[ . 1]" 1
653 1 98 GLU HA 1 101 ASP QB 4.000 . 4.500 2.894 2.600 3.245 . 0 0 "[ . 1]" 1
654 1 98 GLU QG 1 127 TYR QD 5.000 . 5.500 4.999 3.756 5.511 0.011 1 0 "[ . 1]" 1
655 1 98 GLU QG 1 127 TYR QE 4.000 . 4.500 3.952 3.461 4.489 . 0 0 "[ . 1]" 1
656 1 99 GLN HA 1 102 ASP QB 5.000 . 5.500 3.051 2.516 3.286 . 0 0 "[ . 1]" 1
657 1 93 TYR QE 1 99 GLN QG 5.000 . 5.500 3.676 2.277 5.118 . 0 0 "[ . 1]" 1
658 1 100 VAL HA 1 103 VAL HB 4.000 . 4.500 2.735 2.445 2.962 . 0 0 "[ . 1]" 1
659 1 100 VAL HA 1 103 VAL MG1 5.000 . 5.500 4.095 3.839 4.245 . 0 0 "[ . 1]" 1
660 1 100 VAL HA 1 103 VAL MG2 5.000 . 5.500 2.750 2.324 3.120 . 0 0 "[ . 1]" 1
661 1 100 VAL MG2 1 103 VAL MG2 5.500 . 6.000 3.874 3.431 4.198 . 0 0 "[ . 1]" 1
662 1 100 VAL MG1 1 104 LEU MD1 4.000 . 4.500 2.291 1.989 2.983 . 0 0 "[ . 1]" 1
663 1 100 VAL MG2 1 104 LEU MD1 5.000 . 5.500 4.132 2.176 4.852 . 0 0 "[ . 1]" 1
664 1 100 VAL MG1 1 104 LEU MD2 4.000 . 4.500 3.058 2.594 3.755 . 0 0 "[ . 1]" 1
665 1 100 VAL MG2 1 104 LEU MD2 5.000 . 5.500 4.915 3.767 5.523 0.023 9 0 "[ . 1]" 1
666 1 93 TYR QD 1 100 VAL MG1 5.000 . 5.500 4.162 3.521 4.701 . 0 0 "[ . 1]" 1
667 1 93 TYR QD 1 100 VAL MG2 5.000 . 5.500 2.580 2.208 3.301 . 0 0 "[ . 1]" 1
668 1 93 TYR QE 1 100 VAL MG1 5.000 . 5.500 4.819 3.832 5.512 0.012 6 0 "[ . 1]" 1
669 1 93 TYR QE 1 100 VAL MG2 5.000 . 5.500 3.797 3.191 4.477 . 0 0 "[ . 1]" 1
670 1 100 VAL MG1 1 122 VAL MG1 5.000 . 5.500 2.393 2.029 3.135 . 0 0 "[ . 1]" 1
671 1 100 VAL MG1 1 122 VAL MG2 5.000 . 5.500 4.542 4.141 5.178 . 0 0 "[ . 1]" 1
672 1 100 VAL MG2 1 122 VAL MG1 4.000 . 4.500 3.312 2.358 3.716 . 0 0 "[ . 1]" 1
673 1 100 VAL MG2 1 122 VAL MG2 5.000 . 5.500 5.196 3.939 5.525 0.025 10 0 "[ . 1]" 1
674 1 100 VAL MG1 1 126 ALA MB 4.000 . 4.500 3.031 2.292 3.947 . 0 0 "[ . 1]" 1
675 1 100 VAL MG2 1 126 ALA MB 4.000 . 4.500 3.664 2.232 4.502 0.002 5 0 "[ . 1]" 1
676 1 101 ASP HA 1 104 LEU QB 4.000 . 4.500 3.038 2.780 3.480 . 0 0 "[ . 1]" 1
677 1 101 ASP HA 1 104 LEU MD1 5.000 . 5.500 3.259 2.310 4.773 . 0 0 "[ . 1]" 1
678 1 101 ASP HA 1 104 LEU MD2 5.000 . 5.500 4.267 3.080 5.228 . 0 0 "[ . 1]" 1
679 1 102 ASP HA 1 105 GLU QB 4.000 . 4.500 2.679 2.334 2.898 . 0 0 "[ . 1]" 1
680 1 102 ASP HA 1 105 GLU QG 4.000 . 4.500 3.900 2.657 4.505 0.005 5 0 "[ . 1]" 1
681 1 102 ASP QB 1 103 VAL MG2 5.000 . 5.500 3.088 2.855 3.277 . 0 0 "[ . 1]" 1
682 1 103 VAL HA 1 106 THR HB 4.000 . 4.500 3.359 3.091 3.574 . 0 0 "[ . 1]" 1
683 1 103 VAL HA 1 106 THR MG 4.000 . 4.500 4.492 4.459 4.509 0.009 5 0 "[ . 1]" 1
684 1 93 TYR QE 1 103 VAL MG2 4.000 . 4.500 2.799 2.196 3.888 . 0 0 "[ . 1]" 1
685 1 93 TYR QD 1 103 VAL MG2 5.000 . 5.500 3.923 3.196 4.956 . 0 0 "[ . 1]" 1
686 1 104 LEU HA 1 104 LEU HG 4.000 . 4.500 2.692 2.282 3.227 . 0 0 "[ . 1]" 1
687 1 104 LEU HA 1 107 ILE HB 4.000 . 4.500 2.757 2.459 3.080 . 0 0 "[ . 1]" 1
688 1 104 LEU HA 1 107 ILE MG 4.000 . 4.500 4.144 3.937 4.337 . 0 0 "[ . 1]" 1
689 1 104 LEU HA 1 107 ILE MD 4.000 . 4.500 2.545 2.240 4.154 . 0 0 "[ . 1]" 1
690 1 104 LEU MD2 1 107 ILE MD 5.000 . 5.500 3.613 2.284 4.811 . 0 0 "[ . 1]" 1
691 1 104 LEU MD2 1 107 ILE MG 5.000 . 5.500 4.758 3.758 5.507 0.007 1 0 "[ . 1]" 1
692 1 104 LEU MD1 1 119 GLU HA 4.000 . 4.500 3.987 2.528 4.503 0.003 8 0 "[ . 1]" 1
693 1 104 LEU MD2 1 119 GLU HA 4.000 . 4.500 3.090 2.415 4.206 . 0 0 "[ . 1]" 1
694 1 104 LEU MD1 1 119 GLU QB 5.000 . 5.500 4.942 3.844 5.418 . 0 0 "[ . 1]" 1
695 1 104 LEU MD2 1 119 GLU QB 5.000 . 5.500 4.017 3.299 4.688 . 0 0 "[ . 1]" 1
696 1 104 LEU MD1 1 119 GLU QG 5.000 . 5.500 3.683 2.474 5.148 . 0 0 "[ . 1]" 1
697 1 104 LEU MD2 1 119 GLU QG 5.000 . 5.500 2.590 2.266 3.087 . 0 0 "[ . 1]" 1
698 1 104 LEU MD1 1 122 VAL HB 5.000 . 5.500 3.307 2.593 4.184 . 0 0 "[ . 1]" 1
699 1 104 LEU MD2 1 122 VAL HB 5.000 . 5.500 3.020 2.398 4.360 . 0 0 "[ . 1]" 1
700 1 104 LEU MD1 1 122 VAL MG1 5.000 . 5.500 2.680 2.200 3.364 . 0 0 "[ . 1]" 1
701 1 104 LEU MD2 1 122 VAL MG1 5.000 . 5.500 3.013 2.370 3.774 . 0 0 "[ . 1]" 1
702 1 104 LEU MD1 1 122 VAL MG2 5.000 . 5.500 4.281 3.528 5.227 . 0 0 "[ . 1]" 1
703 1 104 LEU MD2 1 122 VAL MG2 5.000 . 5.500 4.171 3.515 5.367 . 0 0 "[ . 1]" 1
704 1 104 LEU MD1 1 123 GLY QA 5.000 . 5.500 2.895 2.119 4.457 . 0 0 "[ . 1]" 1
705 1 105 GLU HA 1 108 SER QB 4.000 . 4.500 2.865 2.360 3.379 . 0 0 "[ . 1]" 1
706 1 106 THR HA 1 106 THR HB 3.000 . 3.500 3.025 3.019 3.029 . 0 0 "[ . 1]" 1
707 1 106 THR HA 1 109 ALA MB 4.000 . 4.500 2.700 2.365 3.253 . 0 0 "[ . 1]" 1
708 1 106 THR MG 1 110 ILE MD 4.000 . 4.500 3.257 2.821 3.623 . 0 0 "[ . 1]" 1
709 1 107 ILE HB 1 107 ILE MD 3.000 . 3.500 2.384 2.223 3.200 . 0 0 "[ . 1]" 1
710 1 69 PHE QE 1 107 ILE MD 5.000 . 5.500 4.611 3.598 5.135 . 0 0 "[ . 1]" 1
711 1 69 PHE QD 1 107 ILE MD 5.000 . 5.500 4.610 3.541 5.426 . 0 0 "[ . 1]" 1
712 1 107 ILE MG 1 119 GLU HA 4.000 . 4.500 4.250 3.734 4.508 0.008 3 0 "[ . 1]" 1
713 1 107 ILE MG 1 119 GLU QG 5.000 . 5.500 3.601 2.252 4.080 . 0 0 "[ . 1]" 1
714 1 110 ILE HB 1 110 ILE MD 3.000 . 3.500 2.382 2.191 3.198 . 0 0 "[ . 1]" 1
715 1 113 PRO HA 1 113 PRO QD 4.000 . 4.500 3.370 3.078 3.491 . 0 0 "[ . 1]" 1
716 1 115 THR HA 1 115 THR HB 3.000 . 3.500 2.894 2.330 3.028 . 0 0 "[ . 1]" 1
717 1 115 THR HA 1 118 ILE HB 5.000 . 5.500 3.773 3.253 4.232 . 0 0 "[ . 1]" 1
718 1 115 THR HA 1 118 ILE MD 5.000 . 5.500 3.060 2.195 5.169 . 0 0 "[ . 1]" 1
719 1 115 THR HA 1 118 ILE MG 5.000 . 5.500 4.824 3.395 5.378 . 0 0 "[ . 1]" 1
720 1 107 ILE MG 1 115 THR HB 5.000 . 5.500 3.313 2.568 4.141 . 0 0 "[ . 1]" 1
721 1 107 ILE MD 1 115 THR HB 6.000 . 6.500 5.108 4.179 6.123 . 0 0 "[ . 1]" 1
722 1 107 ILE MD 1 115 THR MG 5.000 . 5.500 3.581 2.526 4.963 . 0 0 "[ . 1]" 1
723 1 107 ILE MG 1 115 THR MG 4.000 . 4.500 2.571 2.037 3.680 . 0 0 "[ . 1]" 1
724 1 115 THR MG 1 116 SER HA 5.000 . 5.500 4.273 3.585 5.433 . 0 0 "[ . 1]" 1
725 1 115 THR MG 1 116 SER QB 5.000 . 5.500 5.136 4.610 5.318 . 0 0 "[ . 1]" 1
726 1 116 SER HA 1 119 GLU QB 4.000 . 4.500 2.434 2.221 2.885 . 0 0 "[ . 1]" 1
727 1 107 ILE MG 1 116 SER HA 5.000 . 5.500 4.274 3.590 4.805 . 0 0 "[ . 1]" 1
728 1 117 ALA HA 1 120 VAL HB 4.000 . 4.500 3.653 3.265 4.491 . 0 0 "[ . 1]" 1
729 1 117 ALA HA 1 120 VAL MG1 5.000 . 5.500 4.607 2.454 5.156 . 0 0 "[ . 1]" 1
730 1 117 ALA HA 1 120 VAL MG2 5.000 . 5.500 3.654 2.984 4.958 . 0 0 "[ . 1]" 1
731 1 118 ILE HB 1 118 ILE MD 3.000 . 3.500 2.295 2.188 2.326 . 0 0 "[ . 1]" 1
732 1 81 TRP HD1 1 118 ILE MD 5.000 . 5.500 5.244 4.461 5.515 0.015 10 0 "[ . 1]" 1
733 1 118 ILE MD 1 122 VAL MG2 5.000 . 5.500 4.482 3.521 5.181 . 0 0 "[ . 1]" 1
734 1 119 GLU HA 1 122 VAL HB 4.000 . 4.500 3.541 3.170 3.827 . 0 0 "[ . 1]" 1
735 1 119 GLU HA 1 122 VAL MG1 5.000 . 5.500 4.831 4.418 5.104 . 0 0 "[ . 1]" 1
736 1 119 GLU HA 1 122 VAL MG2 5.000 . 5.500 4.215 3.870 4.729 . 0 0 "[ . 1]" 1
737 1 123 GLY QA 1 126 ALA MB 4.000 . 4.500 3.473 2.966 3.870 . 0 0 "[ . 1]" 1
738 1 126 ALA MB 1 127 TYR QD 5.000 . 5.500 3.328 2.961 3.669 . 0 0 "[ . 1]" 1
739 1 126 ALA MB 1 127 TYR QE 5.000 . 5.500 4.414 3.064 5.506 0.006 6 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 118
_Distance_constraint_stats_list.Viol_count 178
_Distance_constraint_stats_list.Viol_total 173.228
_Distance_constraint_stats_list.Viol_max 1.699
_Distance_constraint_stats_list.Viol_rms 0.1157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.0973
_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 3 LYS 15.194 1.699 6 8 "[ **-+****]"
1 4 ILE 0.000 0.000 . 0 "[ . 1]"
1 5 SER 0.008 0.008 8 0 "[ . 1]"
1 6 SER 0.001 0.001 4 0 "[ . 1]"
1 7 ALA 15.207 1.699 6 8 "[ **-+****]"
1 8 ALA 0.004 0.004 6 0 "[ . 1]"
1 9 ILE 0.030 0.014 3 0 "[ . 1]"
1 10 LEU 0.136 0.037 7 0 "[ . 1]"
1 11 GLY 0.095 0.026 3 0 "[ . 1]"
1 12 LEU 0.084 0.034 5 0 "[ . 1]"
1 13 GLY 0.022 0.014 3 0 "[ . 1]"
1 14 ILE 0.135 0.037 7 0 "[ . 1]"
1 15 ALA 0.083 0.026 3 0 "[ . 1]"
1 16 PHE 0.080 0.034 5 0 "[ . 1]"
1 22 ASP 0.083 0.019 1 0 "[ . 1]"
1 23 GLU 0.116 0.045 8 0 "[ . 1]"
1 24 VAL 0.121 0.041 5 0 "[ . 1]"
1 25 LEU 0.017 0.013 10 0 "[ . 1]"
1 26 GLY 0.083 0.019 1 0 "[ . 1]"
1 27 LEU 0.491 0.067 6 0 "[ . 1]"
1 28 LEU 0.294 0.041 5 0 "[ . 1]"
1 29 LEU 0.017 0.013 10 0 "[ . 1]"
1 31 ILE 0.375 0.067 6 0 "[ . 1]"
1 32 ALA 0.173 0.027 3 0 "[ . 1]"
1 41 THR 0.003 0.003 5 0 "[ . 1]"
1 42 ALA 0.012 0.012 10 0 "[ . 1]"
1 43 ALA 0.002 0.002 6 0 "[ . 1]"
1 44 MET 0.035 0.025 10 0 "[ . 1]"
1 45 ALA 0.004 0.003 5 0 "[ . 1]"
1 46 SER 0.020 0.012 10 0 "[ . 1]"
1 47 LEU 0.002 0.002 6 0 "[ . 1]"
1 48 ALA 0.091 0.031 3 0 "[ . 1]"
1 49 LEU 0.032 0.018 8 0 "[ . 1]"
1 50 ALA 0.080 0.024 1 0 "[ . 1]"
1 51 HIS 0.000 0.000 . 0 "[ . 1]"
1 52 VAL 0.056 0.031 3 0 "[ . 1]"
1 53 PHE 0.031 0.018 8 0 "[ . 1]"
1 54 VAL 0.073 0.024 1 0 "[ . 1]"
1 59 GLY 0.000 0.000 . 0 "[ . 1]"
1 60 ASP 0.117 0.030 1 0 "[ . 1]"
1 61 ILE 0.019 0.010 5 0 "[ . 1]"
1 62 THR 0.048 0.019 1 0 "[ . 1]"
1 63 THR 0.015 0.011 6 0 "[ . 1]"
1 64 SER 0.123 0.030 1 0 "[ . 1]"
1 65 ILE 0.027 0.010 5 0 "[ . 1]"
1 66 MET 0.058 0.019 1 0 "[ . 1]"
1 67 ASP 0.064 0.019 7 0 "[ . 1]"
1 68 ASN 0.006 0.005 4 0 "[ . 1]"
1 69 PHE 0.008 0.008 9 0 "[ . 1]"
1 70 LEU 0.010 0.010 1 0 "[ . 1]"
1 71 GLU 0.049 0.019 7 0 "[ . 1]"
1 81 TRP 0.004 0.004 1 0 "[ . 1]"
1 82 VAL 0.009 0.006 5 0 "[ . 1]"
1 83 ARG 0.000 0.000 . 0 "[ . 1]"
1 84 PHE 0.000 0.000 . 0 "[ . 1]"
1 85 LEU 0.047 0.020 3 0 "[ . 1]"
1 86 ALA 0.009 0.006 5 0 "[ . 1]"
1 87 LEU 0.022 0.012 9 0 "[ . 1]"
1 88 ALA 0.011 0.010 4 0 "[ . 1]"
1 89 LEU 0.043 0.020 3 0 "[ . 1]"
1 90 GLY 0.000 0.000 . 0 "[ . 1]"
1 91 ILE 0.022 0.012 9 0 "[ . 1]"
1 92 LEU 0.011 0.010 4 0 "[ . 1]"
1 98 GLU 0.085 0.030 3 0 "[ . 1]"
1 99 GLN 0.022 0.022 3 0 "[ . 1]"
1 100 VAL 0.019 0.019 9 0 "[ . 1]"
1 101 ASP 0.005 0.003 10 0 "[ . 1]"
1 102 ASP 0.114 0.030 3 0 "[ . 1]"
1 103 VAL 0.031 0.022 3 0 "[ . 1]"
1 104 LEU 0.026 0.019 9 0 "[ . 1]"
1 105 GLU 0.017 0.007 5 0 "[ . 1]"
1 106 THR 0.075 0.017 2 0 "[ . 1]"
1 107 ILE 0.009 0.007 1 0 "[ . 1]"
1 108 SER 0.007 0.006 7 0 "[ . 1]"
1 109 ALA 0.012 0.007 5 0 "[ . 1]"
1 110 ILE 0.046 0.017 2 0 "[ . 1]"
1 115 THR 0.040 0.017 3 0 "[ . 1]"
1 116 SER 0.015 0.009 3 0 "[ . 1]"
1 117 ALA 0.019 0.013 4 0 "[ . 1]"
1 118 ILE 0.000 0.000 . 0 "[ . 1]"
1 119 GLU 0.044 0.017 3 0 "[ . 1]"
1 120 VAL 0.020 0.009 3 0 "[ . 1]"
1 121 LEU 0.022 0.013 4 0 "[ . 1]"
1 122 VAL 0.000 0.000 . 0 "[ . 1]"
1 123 GLY 0.004 0.004 9 0 "[ . 1]"
1 124 SER 0.005 0.004 9 0 "[ . 1]"
1 125 CYS 0.004 0.004 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 LYS O 1 7 ALA H 2.150 . 2.500 3.171 2.039 4.199 1.699 6 8 "[ **-+****]" 2
2 1 3 LYS O 1 7 ALA N 2.900 2.500 3.300 4.065 2.996 4.982 1.682 6 8 "[ **-+****]" 2
3 1 4 ILE O 1 8 ALA H 2.150 . 2.500 2.173 1.845 2.417 . 0 0 "[ . 1]" 2
4 1 4 ILE O 1 8 ALA N 2.900 2.500 3.300 3.040 2.705 3.298 . 0 0 "[ . 1]" 2
5 1 5 SER O 1 9 ILE H 2.150 . 2.500 2.098 1.805 2.405 . 0 0 "[ . 1]" 2
6 1 5 SER O 1 9 ILE N 2.900 2.500 3.300 3.033 2.758 3.308 0.008 8 0 "[ . 1]" 2
7 1 6 SER O 1 10 LEU H 2.150 . 2.500 2.159 1.799 2.469 0.001 4 0 "[ . 1]" 2
8 1 6 SER O 1 10 LEU N 2.900 2.500 3.300 3.040 2.724 3.263 . 0 0 "[ . 1]" 2
9 1 7 ALA O 1 11 GLY H 2.150 . 2.500 2.259 2.128 2.487 . 0 0 "[ . 1]" 2
10 1 7 ALA O 1 11 GLY N 2.900 2.500 3.300 3.161 2.978 3.312 0.012 1 0 "[ . 1]" 2
11 1 8 ALA O 1 12 LEU H 2.150 . 2.500 2.240 2.037 2.448 . 0 0 "[ . 1]" 2
12 1 8 ALA O 1 12 LEU N 2.900 2.500 3.300 3.096 2.913 3.304 0.004 6 0 "[ . 1]" 2
13 1 9 ILE O 1 13 GLY H 2.150 . 2.500 2.080 1.805 2.482 . 0 0 "[ . 1]" 2
14 1 9 ILE O 1 13 GLY N 2.900 2.500 3.300 2.659 2.486 3.166 0.014 3 0 "[ . 1]" 2
15 1 10 LEU O 1 14 ILE H 2.150 . 2.500 2.420 2.127 2.537 0.037 7 0 "[ . 1]" 2
16 1 10 LEU O 1 14 ILE N 2.900 2.500 3.300 3.231 3.052 3.320 0.020 10 0 "[ . 1]" 2
17 1 11 GLY O 1 15 ALA H 2.150 . 2.500 2.441 2.262 2.526 0.026 3 0 "[ . 1]" 2
18 1 11 GLY O 1 15 ALA N 2.900 2.500 3.300 3.199 2.954 3.320 0.020 9 0 "[ . 1]" 2
19 1 12 LEU O 1 16 PHE H 2.150 . 2.500 2.303 1.965 2.515 0.015 4 0 "[ . 1]" 2
20 1 12 LEU O 1 16 PHE N 2.900 2.500 3.300 3.128 2.717 3.334 0.034 5 0 "[ . 1]" 2
21 1 22 ASP O 1 26 GLY H 2.150 . 2.500 2.386 1.921 2.519 0.019 1 0 "[ . 1]" 2
22 1 22 ASP O 1 26 GLY N 2.900 2.500 3.300 3.132 2.893 3.310 0.010 6 0 "[ . 1]" 2
23 1 23 GLU O 1 27 LEU H 2.150 . 2.500 2.382 2.047 2.510 0.010 3 0 "[ . 1]" 2
24 1 23 GLU O 1 27 LEU N 2.900 2.500 3.300 3.185 2.807 3.345 0.045 8 0 "[ . 1]" 2
25 1 24 VAL O 1 28 LEU H 2.150 . 2.500 1.861 1.759 2.089 0.041 5 0 "[ . 1]" 2
26 1 24 VAL O 1 28 LEU N 2.900 2.500 3.300 2.808 2.653 3.054 . 0 0 "[ . 1]" 2
27 1 25 LEU O 1 29 LEU H 2.150 . 2.500 2.293 1.869 2.490 . 0 0 "[ . 1]" 2
28 1 25 LEU O 1 29 LEU N 2.900 2.500 3.300 3.180 2.836 3.313 0.013 10 0 "[ . 1]" 2
29 1 27 LEU O 1 31 ILE H 2.150 . 2.500 2.414 2.348 2.493 . 0 0 "[ . 1]" 2
30 1 27 LEU O 1 31 ILE N 2.900 2.500 3.300 3.337 3.307 3.367 0.067 6 0 "[ . 1]" 2
31 1 28 LEU O 1 32 ALA H 2.150 . 2.500 1.832 1.773 2.072 0.027 3 0 "[ . 1]" 2
32 1 28 LEU O 1 32 ALA N 2.900 2.500 3.300 2.557 2.477 2.791 0.023 6 0 "[ . 1]" 2
33 1 41 THR O 1 45 ALA H 2.150 . 2.500 2.169 1.847 2.394 . 0 0 "[ . 1]" 2
34 1 41 THR O 1 45 ALA N 2.900 2.500 3.300 3.113 2.814 3.303 0.003 5 0 "[ . 1]" 2
35 1 42 ALA O 1 46 SER H 2.150 . 2.500 1.944 1.788 2.298 0.012 10 0 "[ . 1]" 2
36 1 42 ALA O 1 46 SER N 2.900 2.500 3.300 2.821 2.633 3.173 . 0 0 "[ . 1]" 2
37 1 43 ALA O 1 47 LEU H 2.150 . 2.500 2.039 1.801 2.351 . 0 0 "[ . 1]" 2
38 1 43 ALA O 1 47 LEU N 2.900 2.500 3.300 2.962 2.763 3.302 0.002 6 0 "[ . 1]" 2
39 1 44 MET O 1 48 ALA H 2.150 . 2.500 2.270 1.984 2.387 . 0 0 "[ . 1]" 2
40 1 44 MET O 1 48 ALA N 2.900 2.500 3.300 3.222 2.913 3.325 0.025 10 0 "[ . 1]" 2
41 1 45 ALA O 1 49 LEU H 2.150 . 2.500 2.260 1.985 2.484 . 0 0 "[ . 1]" 2
42 1 45 ALA O 1 49 LEU N 2.900 2.500 3.300 3.158 2.953 3.301 0.001 3 0 "[ . 1]" 2
43 1 46 SER O 1 50 ALA H 2.150 . 2.500 2.218 1.831 2.508 0.008 6 0 "[ . 1]" 2
44 1 46 SER O 1 50 ALA N 2.900 2.500 3.300 3.111 2.791 3.296 . 0 0 "[ . 1]" 2
45 1 47 LEU O 1 51 HIS H 2.150 . 2.500 2.214 1.863 2.433 . 0 0 "[ . 1]" 2
46 1 47 LEU O 1 51 HIS N 2.900 2.500 3.300 3.104 2.703 3.289 . 0 0 "[ . 1]" 2
47 1 48 ALA O 1 52 VAL H 2.150 . 2.500 2.281 1.867 2.506 0.006 1 0 "[ . 1]" 2
48 1 48 ALA O 1 52 VAL N 2.900 2.500 3.300 3.116 2.606 3.331 0.031 3 0 "[ . 1]" 2
49 1 49 LEU O 1 53 PHE H 2.150 . 2.500 2.014 1.782 2.477 0.018 8 0 "[ . 1]" 2
50 1 49 LEU O 1 53 PHE N 2.900 2.500 3.300 2.930 2.710 3.313 0.013 7 0 "[ . 1]" 2
51 1 50 ALA O 1 54 VAL H 2.150 . 2.500 2.319 1.835 2.512 0.012 3 0 "[ . 1]" 2
52 1 50 ALA O 1 54 VAL N 2.900 2.500 3.300 2.747 2.476 2.957 0.024 1 0 "[ . 1]" 2
53 1 59 GLY O 1 63 THR H 2.150 . 2.500 2.223 1.904 2.454 . 0 0 "[ . 1]" 2
54 1 59 GLY O 1 63 THR N 2.900 2.500 3.300 3.058 2.812 3.195 . 0 0 "[ . 1]" 2
55 1 60 ASP O 1 64 SER H 2.150 . 2.500 2.373 2.143 2.451 . 0 0 "[ . 1]" 2
56 1 60 ASP O 1 64 SER N 2.900 2.500 3.300 3.277 3.062 3.330 0.030 1 0 "[ . 1]" 2
57 1 61 ILE O 1 65 ILE H 2.150 . 2.500 2.100 1.791 2.377 0.009 9 0 "[ . 1]" 2
58 1 61 ILE O 1 65 ILE N 2.900 2.500 3.300 3.045 2.767 3.310 0.010 5 0 "[ . 1]" 2
59 1 62 THR O 1 66 MET H 2.150 . 2.500 1.855 1.781 2.035 0.019 1 0 "[ . 1]" 2
60 1 62 THR O 1 66 MET N 2.900 2.500 3.300 2.745 2.525 2.968 . 0 0 "[ . 1]" 2
61 1 63 THR O 1 67 ASP H 2.150 . 2.500 2.178 1.971 2.456 . 0 0 "[ . 1]" 2
62 1 63 THR O 1 67 ASP N 2.900 2.500 3.300 3.062 2.866 3.311 0.011 6 0 "[ . 1]" 2
63 1 64 SER O 1 68 ASN H 2.150 . 2.500 2.264 1.968 2.446 . 0 0 "[ . 1]" 2
64 1 64 SER O 1 68 ASN N 2.900 2.500 3.300 3.190 2.935 3.305 0.005 4 0 "[ . 1]" 2
65 1 65 ILE O 1 69 PHE H 2.150 . 2.500 2.285 2.136 2.460 . 0 0 "[ . 1]" 2
66 1 65 ILE O 1 69 PHE N 2.900 2.500 3.300 3.190 3.035 3.308 0.008 9 0 "[ . 1]" 2
67 1 66 MET O 1 70 LEU H 2.150 . 2.500 2.220 1.839 2.454 . 0 0 "[ . 1]" 2
68 1 66 MET O 1 70 LEU N 2.900 2.500 3.300 3.125 2.814 3.310 0.010 1 0 "[ . 1]" 2
69 1 67 ASP O 1 71 GLU H 2.150 . 2.500 2.275 1.862 2.503 0.003 2 0 "[ . 1]" 2
70 1 67 ASP O 1 71 GLU N 2.900 2.500 3.300 3.161 2.754 3.319 0.019 7 0 "[ . 1]" 2
71 1 81 TRP O 1 85 LEU H 2.150 . 2.500 2.095 1.796 2.333 0.004 1 0 "[ . 1]" 2
72 1 81 TRP O 1 85 LEU N 2.900 2.500 3.300 3.022 2.714 3.290 . 0 0 "[ . 1]" 2
73 1 82 VAL O 1 86 ALA H 2.150 . 2.500 2.105 1.797 2.506 0.006 5 0 "[ . 1]" 2
74 1 82 VAL O 1 86 ALA N 2.900 2.500 3.300 2.938 2.713 3.243 . 0 0 "[ . 1]" 2
75 1 83 ARG O 1 87 LEU H 2.150 . 2.500 2.202 1.904 2.432 . 0 0 "[ . 1]" 2
76 1 83 ARG O 1 87 LEU N 2.900 2.500 3.300 3.116 2.830 3.249 . 0 0 "[ . 1]" 2
77 1 84 PHE O 1 88 ALA H 2.150 . 2.500 2.164 2.044 2.366 . 0 0 "[ . 1]" 2
78 1 84 PHE O 1 88 ALA N 2.900 2.500 3.300 3.064 2.968 3.194 . 0 0 "[ . 1]" 2
79 1 85 LEU O 1 89 LEU H 2.150 . 2.500 2.305 2.034 2.498 . 0 0 "[ . 1]" 2
80 1 85 LEU O 1 89 LEU N 2.900 2.500 3.300 3.238 3.007 3.320 0.020 3 0 "[ . 1]" 2
81 1 86 ALA O 1 90 GLY H 2.150 . 2.500 2.265 1.967 2.482 . 0 0 "[ . 1]" 2
82 1 86 ALA O 1 90 GLY N 2.900 2.500 3.300 2.959 2.662 3.234 . 0 0 "[ . 1]" 2
83 1 87 LEU O 1 91 ILE H 2.150 . 2.500 2.020 1.788 2.332 0.012 9 0 "[ . 1]" 2
84 1 87 LEU O 1 91 ILE N 2.900 2.500 3.300 2.943 2.724 3.157 . 0 0 "[ . 1]" 2
85 1 88 ALA O 1 92 LEU H 2.150 . 2.500 2.049 1.790 2.356 0.010 4 0 "[ . 1]" 2
86 1 88 ALA O 1 92 LEU N 2.900 2.500 3.300 2.913 2.628 3.232 . 0 0 "[ . 1]" 2
87 1 98 GLU O 1 102 ASP H 2.150 . 2.500 2.392 2.264 2.474 . 0 0 "[ . 1]" 2
88 1 98 GLU O 1 102 ASP N 2.900 2.500 3.300 3.279 3.174 3.330 0.030 3 0 "[ . 1]" 2
89 1 99 GLN O 1 103 VAL H 2.150 . 2.500 2.176 1.819 2.406 . 0 0 "[ . 1]" 2
90 1 99 GLN O 1 103 VAL N 2.900 2.500 3.300 3.113 2.761 3.322 0.022 3 0 "[ . 1]" 2
91 1 100 VAL O 1 104 LEU H 2.150 . 2.500 2.046 1.781 2.211 0.019 9 0 "[ . 1]" 2
92 1 100 VAL O 1 104 LEU N 2.900 2.500 3.300 2.976 2.740 3.157 . 0 0 "[ . 1]" 2
93 1 101 ASP O 1 105 GLU H 2.150 . 2.500 2.249 2.073 2.428 . 0 0 "[ . 1]" 2
94 1 101 ASP O 1 105 GLU N 2.900 2.500 3.300 3.149 2.945 3.303 0.003 10 0 "[ . 1]" 2
95 1 102 ASP O 1 106 THR H 2.150 . 2.500 2.391 2.257 2.512 0.012 10 0 "[ . 1]" 2
96 1 102 ASP O 1 106 THR N 2.900 2.500 3.300 3.228 3.114 3.313 0.013 3 0 "[ . 1]" 2
97 1 103 VAL O 1 107 ILE H 2.150 . 2.500 2.231 1.999 2.427 . 0 0 "[ . 1]" 2
98 1 103 VAL O 1 107 ILE N 2.900 2.500 3.300 3.168 2.959 3.307 0.007 1 0 "[ . 1]" 2
99 1 104 LEU O 1 108 SER H 2.150 . 2.500 1.942 1.794 2.255 0.006 7 0 "[ . 1]" 2
100 1 104 LEU O 1 108 SER N 2.900 2.500 3.300 2.851 2.634 3.191 . 0 0 "[ . 1]" 2
101 1 105 GLU O 1 109 ALA H 2.150 . 2.500 2.322 1.924 2.498 . 0 0 "[ . 1]" 2
102 1 105 GLU O 1 109 ALA N 2.900 2.500 3.300 3.115 2.637 3.307 0.007 5 0 "[ . 1]" 2
103 1 106 THR O 1 110 ILE H 2.150 . 2.500 2.324 2.004 2.423 . 0 0 "[ . 1]" 2
104 1 106 THR O 1 110 ILE N 2.900 2.500 3.300 3.259 2.970 3.317 0.017 2 0 "[ . 1]" 2
105 1 115 THR O 1 119 GLU H 2.150 . 2.500 2.225 1.938 2.402 . 0 0 "[ . 1]" 2
106 1 115 THR O 1 119 GLU N 2.900 2.500 3.300 3.156 2.903 3.317 0.017 3 0 "[ . 1]" 2
107 1 116 SER O 1 120 VAL H 2.150 . 2.500 2.296 2.019 2.485 . 0 0 "[ . 1]" 2
108 1 116 SER O 1 120 VAL N 2.900 2.500 3.300 3.207 2.998 3.309 0.009 3 0 "[ . 1]" 2
109 1 117 ALA O 1 121 LEU H 2.150 . 2.500 2.363 2.169 2.494 . 0 0 "[ . 1]" 2
110 1 117 ALA O 1 121 LEU N 2.900 2.500 3.300 3.235 3.070 3.313 0.013 4 0 "[ . 1]" 2
111 1 118 ILE O 1 122 VAL H 2.150 . 2.500 1.985 1.875 2.145 . 0 0 "[ . 1]" 2
112 1 118 ILE O 1 122 VAL N 2.900 2.500 3.300 2.899 2.775 3.038 . 0 0 "[ . 1]" 2
113 1 119 GLU O 1 123 GLY H 2.150 . 2.500 2.143 1.796 2.411 0.004 9 0 "[ . 1]" 2
114 1 119 GLU O 1 123 GLY N 2.900 2.500 3.300 2.888 2.517 3.205 . 0 0 "[ . 1]" 2
115 1 120 VAL O 1 124 SER H 2.150 . 2.500 2.163 1.844 2.504 0.004 9 0 "[ . 1]" 2
116 1 120 VAL O 1 124 SER N 2.900 2.500 3.300 2.972 2.659 3.297 . 0 0 "[ . 1]" 2
117 1 121 LEU O 1 125 CYS H 2.150 . 2.500 2.211 2.051 2.375 . 0 0 "[ . 1]" 2
118 1 121 LEU O 1 125 CYS N 2.900 2.500 3.300 3.101 2.896 3.304 0.004 1 0 "[ . 1]" 2
stop_
save_