NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445783 |
2kkm   |
16365 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kkm
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 765
_Distance_constraint_stats_list.Viol_count 1150
_Distance_constraint_stats_list.Viol_total 606.731
_Distance_constraint_stats_list.Viol_max 0.146
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 21 VAL 0.956 0.109 6 0 "[ . 1 . 2]"
1 22 HIS 0.004 0.004 6 0 "[ . 1 . 2]"
1 24 LEU 1.310 0.146 2 0 "[ . 1 . 2]"
1 25 ALA 1.209 0.109 6 0 "[ . 1 . 2]"
1 26 ARG 0.209 0.146 2 0 "[ . 1 . 2]"
1 27 VAL 0.822 0.059 2 0 "[ . 1 . 2]"
1 28 LYS 0.008 0.008 12 0 "[ . 1 . 2]"
1 29 PHE 1.034 0.060 19 0 "[ . 1 . 2]"
1 30 MET 1.935 0.086 6 0 "[ . 1 . 2]"
1 31 GLN 0.667 0.100 4 0 "[ . 1 . 2]"
1 32 ASP 0.078 0.032 6 0 "[ . 1 . 2]"
1 33 VAL 0.036 0.016 11 0 "[ . 1 . 2]"
1 34 VAL 0.690 0.086 10 0 "[ . 1 . 2]"
1 35 ASN 1.176 0.100 4 0 "[ . 1 . 2]"
1 36 SER 0.575 0.058 1 0 "[ . 1 . 2]"
1 37 ASP 0.343 0.076 11 0 "[ . 1 . 2]"
1 38 THR 0.544 0.060 19 0 "[ . 1 . 2]"
1 39 PHE 0.124 0.029 2 0 "[ . 1 . 2]"
1 40 LYS 0.838 0.086 8 0 "[ . 1 . 2]"
1 41 GLY 0.096 0.086 8 0 "[ . 1 . 2]"
1 42 GLN 0.010 0.010 8 0 "[ . 1 . 2]"
1 43 PRO 0.087 0.021 12 0 "[ . 1 . 2]"
1 44 ILE 1.874 0.134 17 0 "[ . 1 . 2]"
1 45 PHE 0.141 0.023 10 0 "[ . 1 . 2]"
1 46 ASP 0.160 0.055 4 0 "[ . 1 . 2]"
1 47 HIS 0.269 0.060 6 0 "[ . 1 . 2]"
1 48 ALA 0.841 0.137 7 0 "[ . 1 . 2]"
1 49 HIS 0.178 0.060 7 0 "[ . 1 . 2]"
1 50 THR 2.491 0.093 11 0 "[ . 1 . 2]"
1 51 ARG 0.257 0.047 13 0 "[ . 1 . 2]"
1 52 GLU 0.860 0.137 7 0 "[ . 1 . 2]"
1 53 PHE 0.644 0.045 11 0 "[ . 1 . 2]"
1 54 ILE 1.777 0.093 11 0 "[ . 1 . 2]"
1 55 GLN 0.147 0.049 8 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.198 0.049 8 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.117 0.062 2 0 "[ . 1 . 2]"
1 61 ASP 0.778 0.075 9 0 "[ . 1 . 2]"
1 62 ASP 0.040 0.040 17 0 "[ . 1 . 2]"
1 63 THR 0.604 0.062 2 0 "[ . 1 . 2]"
1 64 GLU 0.775 0.073 6 0 "[ . 1 . 2]"
1 65 LEU 0.764 0.075 9 0 "[ . 1 . 2]"
1 66 ASP 0.396 0.053 15 0 "[ . 1 . 2]"
1 67 GLU 0.046 0.015 1 0 "[ . 1 . 2]"
1 68 LEU 0.543 0.065 13 0 "[ . 1 . 2]"
1 69 LYS 0.443 0.053 15 0 "[ . 1 . 2]"
1 70 LYS 0.006 0.006 14 0 "[ . 1 . 2]"
1 71 LYS 0.026 0.019 14 0 "[ . 1 . 2]"
1 72 ARG 0.425 0.072 9 0 "[ . 1 . 2]"
1 73 ARG 0.221 0.072 9 0 "[ . 1 . 2]"
1 74 SER 0.129 0.043 19 0 "[ . 1 . 2]"
1 75 ASN 0.631 0.073 16 0 "[ . 1 . 2]"
1 76 ARG 0.631 0.073 16 0 "[ . 1 . 2]"
1 77 PRO 0.284 0.055 11 0 "[ . 1 . 2]"
1 78 PRO 0.950 0.121 19 0 "[ . 1 . 2]"
1 79 SER 0.033 0.033 6 0 "[ . 1 . 2]"
1 80 ASN 0.148 0.041 13 0 "[ . 1 . 2]"
1 81 ARG 0.012 0.012 13 0 "[ . 1 . 2]"
1 82 GLN 0.427 0.065 8 0 "[ . 1 . 2]"
1 83 VAL 0.909 0.121 19 0 "[ . 1 . 2]"
1 84 LEU 0.231 0.084 14 0 "[ . 1 . 2]"
1 85 LEU 1.096 0.073 6 0 "[ . 1 . 2]"
1 86 GLN 0.128 0.038 9 0 "[ . 1 . 2]"
1 87 GLN 0.315 0.121 3 0 "[ . 1 . 2]"
1 89 ARG 0.215 0.121 3 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLN 0.177 0.046 16 0 "[ . 1 . 2]"
1 92 GLU 0.045 0.033 18 0 "[ . 1 . 2]"
1 93 LEU 0.051 0.028 10 0 "[ . 1 . 2]"
1 94 LYS 0.177 0.046 16 0 "[ . 1 . 2]"
1 95 GLU 0.053 0.033 18 0 "[ . 1 . 2]"
1 96 PHE 0.067 0.047 6 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ALA 0.023 0.019 10 0 "[ . 1 . 2]"
1 99 GLY 0.123 0.031 13 0 "[ . 1 . 2]"
1 100 PHE 0.140 0.034 8 0 "[ . 1 . 2]"
1 101 LEU 0.169 0.045 7 0 "[ . 1 . 2]"
1 102 CYS 0.088 0.044 12 0 "[ . 1 . 2]"
1 103 PRO 0.768 0.064 6 0 "[ . 1 . 2]"
1 104 ASP 0.122 0.031 7 0 "[ . 1 . 2]"
1 105 LEU 1.162 0.134 17 0 "[ . 1 . 2]"
1 106 SER 0.470 0.068 20 0 "[ . 1 . 2]"
1 107 ASP 0.164 0.054 2 0 "[ . 1 . 2]"
1 108 ALA 1.332 0.105 19 0 "[ . 1 . 2]"
1 109 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASN 0.028 0.020 20 0 "[ . 1 . 2]"
1 111 MET 3.436 0.105 19 0 "[ . 1 . 2]"
1 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 PHE 0.703 0.053 8 0 "[ . 1 . 2]"
1 114 LEU 1.775 0.086 10 0 "[ . 1 . 2]"
1 115 ARG 0.109 0.028 17 0 "[ . 1 . 2]"
1 116 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 TRP 1.167 0.063 8 0 "[ . 1 . 2]"
1 118 ASN 0.175 0.051 16 0 "[ . 1 . 2]"
1 120 THR 0.222 0.101 14 0 "[ . 1 . 2]"
1 121 PHE 0.359 0.045 3 0 "[ . 1 . 2]"
1 122 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 LEU 1.357 0.101 14 0 "[ . 1 . 2]"
1 124 LEU 0.984 0.059 2 0 "[ . 1 . 2]"
1 125 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 THR 1.456 0.058 18 0 "[ . 1 . 2]"
1 127 LEU 1.812 0.073 7 0 "[ . 1 . 2]"
1 128 ARG 0.126 0.049 19 0 "[ . 1 . 2]"
1 129 LEU 1.398 0.073 7 0 "[ . 1 . 2]"
1 130 ILE 0.285 0.049 19 0 "[ . 1 . 2]"
1 131 ARG 0.268 0.059 3 0 "[ . 1 . 2]"
1 132 ILE 1.450 0.065 11 0 "[ . 1 . 2]"
1 133 ASN 0.221 0.049 17 0 "[ . 1 . 2]"
1 134 ASP 0.194 0.047 6 0 "[ . 1 . 2]"
1 135 LYS 0.984 0.065 19 0 "[ . 1 . 2]"
1 136 GLY 0.267 0.061 1 0 "[ . 1 . 2]"
1 137 GLU 0.852 0.082 14 0 "[ . 1 . 2]"
1 138 GLN 0.207 0.031 2 0 "[ . 1 . 2]"
1 139 VAL 0.933 0.082 14 0 "[ . 1 . 2]"
1 140 VAL 0.360 0.061 14 0 "[ . 1 . 2]"
1 141 GLY 0.298 0.061 14 0 "[ . 1 . 2]"
1 142 GLY 0.132 0.056 19 0 "[ . 1 . 2]"
1 143 ASN 0.073 0.056 19 0 "[ . 1 . 2]"
1 144 GLU 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 21 VAL H 1 22 HIS H 1.800 . 3.500 2.542 2.131 2.739 . 0 0 "[ . 1 . 2]" 1
2 1 25 ALA H 1 26 ARG H 1.800 . 3.500 2.686 2.544 2.812 . 0 0 "[ . 1 . 2]" 1
3 1 26 ARG H 1 27 VAL H 1.800 . 5.000 2.559 2.404 2.704 . 0 0 "[ . 1 . 2]" 1
4 1 27 VAL H 1 28 LYS H 1.800 . 5.000 2.554 2.433 2.667 . 0 0 "[ . 1 . 2]" 1
5 1 28 LYS H 1 29 PHE H 1.800 . 5.000 2.695 2.535 2.816 . 0 0 "[ . 1 . 2]" 1
6 1 29 PHE H 1 30 MET H 1.800 . 5.000 2.752 2.688 2.814 . 0 0 "[ . 1 . 2]" 1
7 1 30 MET H 1 31 GLN H 1.800 . 5.000 2.778 2.680 2.848 . 0 0 "[ . 1 . 2]" 1
8 1 31 GLN H 1 32 ASP H 1.800 . 3.500 2.826 2.642 2.972 . 0 0 "[ . 1 . 2]" 1
9 1 32 ASP H 1 33 VAL H 1.800 . 3.500 2.761 2.559 2.868 . 0 0 "[ . 1 . 2]" 1
10 1 33 VAL H 1 34 VAL H 1.800 . 3.500 2.686 2.480 2.820 . 0 0 "[ . 1 . 2]" 1
11 1 34 VAL H 1 35 ASN H 1.800 . 3.500 2.507 2.349 2.643 . 0 0 "[ . 1 . 2]" 1
12 1 35 ASN H 1 36 SER H 1.800 . 3.500 2.329 2.001 2.459 . 0 0 "[ . 1 . 2]" 1
13 1 36 SER H 1 37 ASP H 1.800 . 5.000 4.541 4.435 4.594 . 0 0 "[ . 1 . 2]" 1
14 1 37 ASP H 1 38 THR H 1.800 . 5.000 2.626 2.510 2.806 . 0 0 "[ . 1 . 2]" 1
15 1 38 THR H 1 39 PHE H 1.800 . 3.500 2.871 2.747 2.964 . 0 0 "[ . 1 . 2]" 1
16 1 39 PHE H 1 40 LYS H 1.800 . 3.500 2.153 2.002 2.422 . 0 0 "[ . 1 . 2]" 1
17 1 40 LYS H 1 41 GLY H 1.800 . 3.500 2.705 2.567 3.586 0.086 8 0 "[ . 1 . 2]" 1
18 1 41 GLY H 1 42 GLN H 1.800 . 3.500 2.557 1.790 2.774 0.010 8 0 "[ . 1 . 2]" 1
19 1 49 HIS H 1 50 THR H 1.800 . 5.000 2.495 2.307 2.641 . 0 0 "[ . 1 . 2]" 1
20 1 50 THR H 1 51 ARG H 1.800 . 5.000 2.853 2.720 3.007 . 0 0 "[ . 1 . 2]" 1
21 1 51 ARG H 1 52 GLU H 1.800 . 5.000 2.762 2.584 3.004 . 0 0 "[ . 1 . 2]" 1
22 1 52 GLU H 1 53 PHE H 1.800 . 3.500 2.869 2.580 3.050 . 0 0 "[ . 1 . 2]" 1
23 1 53 PHE H 1 54 ILE H 1.800 . 5.000 2.629 2.516 2.773 . 0 0 "[ . 1 . 2]" 1
24 1 54 ILE H 1 55 GLN H 1.800 . 5.000 2.717 2.609 2.823 . 0 0 "[ . 1 . 2]" 1
25 1 55 GLN H 1 56 SER H 1.800 . 3.500 2.673 2.577 2.766 . 0 0 "[ . 1 . 2]" 1
26 1 56 SER H 1 57 PHE H 1.800 . 3.500 2.650 2.508 2.786 . 0 0 "[ . 1 . 2]" 1
27 1 57 PHE H 1 58 ILE H 1.800 . 5.000 2.601 2.458 2.737 . 0 0 "[ . 1 . 2]" 1
28 1 58 ILE H 1 59 GLU H 1.800 . 5.000 2.512 2.197 2.727 . 0 0 "[ . 1 . 2]" 1
29 1 59 GLU H 1 60 ARG H 1.800 . 3.500 2.559 2.368 2.736 . 0 0 "[ . 1 . 2]" 1
30 1 60 ARG H 1 61 ASP H 1.800 . 5.000 2.687 2.405 2.998 . 0 0 "[ . 1 . 2]" 1
31 1 61 ASP H 1 62 ASP H 1.800 . 3.500 2.585 2.369 2.757 . 0 0 "[ . 1 . 2]" 1
32 1 62 ASP H 1 63 THR H 1.800 . 3.500 2.556 2.462 2.660 . 0 0 "[ . 1 . 2]" 1
33 1 63 THR H 1 64 GLU H 1.800 . 3.500 2.550 2.366 2.695 . 0 0 "[ . 1 . 2]" 1
34 1 64 GLU H 1 65 LEU H 1.800 . 3.500 2.405 2.214 2.635 . 0 0 "[ . 1 . 2]" 1
35 1 65 LEU H 1 66 ASP H 1.800 . 3.500 2.601 2.446 2.778 . 0 0 "[ . 1 . 2]" 1
36 1 66 ASP H 1 67 GLU H 1.800 . 3.500 2.638 2.485 2.823 . 0 0 "[ . 1 . 2]" 1
37 1 67 GLU H 1 68 LEU H 1.800 . 3.500 2.655 2.497 2.786 . 0 0 "[ . 1 . 2]" 1
38 1 68 LEU H 1 69 LYS H 1.800 . 3.500 2.514 2.341 2.675 . 0 0 "[ . 1 . 2]" 1
39 1 69 LYS H 1 70 LYS H 1.800 . 3.500 2.574 2.252 2.739 . 0 0 "[ . 1 . 2]" 1
40 1 70 LYS H 1 71 LYS H 1.800 . 3.500 2.480 2.118 2.651 . 0 0 "[ . 1 . 2]" 1
41 1 71 LYS H 1 72 ARG H 1.800 . 3.500 2.599 2.414 3.105 . 0 0 "[ . 1 . 2]" 1
42 1 72 ARG H 1 73 ARG H 1.800 . 5.000 3.089 2.441 4.431 . 0 0 "[ . 1 . 2]" 1
43 1 75 ASN H 1 76 ARG H 1.800 . 3.500 2.510 1.977 3.074 . 0 0 "[ . 1 . 2]" 1
44 1 80 ASN H 1 81 ARG H 1.800 . 5.000 2.580 2.345 2.896 . 0 0 "[ . 1 . 2]" 1
45 1 81 ARG H 1 82 GLN H 1.800 . 5.000 2.590 2.256 2.824 . 0 0 "[ . 1 . 2]" 1
46 1 82 GLN H 1 83 VAL H 1.800 . 3.500 2.596 2.438 2.771 . 0 0 "[ . 1 . 2]" 1
47 1 83 VAL H 1 84 LEU H 1.800 . 3.500 2.565 2.453 2.741 . 0 0 "[ . 1 . 2]" 1
48 1 86 GLN H 1 87 GLN H 1.800 . 3.500 2.731 2.582 2.860 . 0 0 "[ . 1 . 2]" 1
49 1 89 ARG H 1 90 ASP H 1.800 . 5.000 2.643 2.257 2.959 . 0 0 "[ . 1 . 2]" 1
50 1 90 ASP H 1 91 GLN H 1.800 . 3.500 2.692 2.399 2.859 . 0 0 "[ . 1 . 2]" 1
51 1 91 GLN H 1 92 GLU H 1.800 . 5.000 2.681 2.572 2.786 . 0 0 "[ . 1 . 2]" 1
52 1 92 GLU H 1 93 LEU H 1.800 . 5.000 2.692 2.502 2.952 . 0 0 "[ . 1 . 2]" 1
53 1 93 LEU H 1 94 LYS H 1.800 . 3.500 2.647 2.505 2.793 . 0 0 "[ . 1 . 2]" 1
54 1 94 LYS H 1 95 GLU H 1.800 . 5.000 2.640 2.501 2.782 . 0 0 "[ . 1 . 2]" 1
55 1 95 GLU H 1 96 PHE H 1.800 . 5.000 2.581 2.284 2.801 . 0 0 "[ . 1 . 2]" 1
56 1 96 PHE H 1 97 LYS H 1.800 . 5.000 2.642 2.419 2.778 . 0 0 "[ . 1 . 2]" 1
57 1 97 LYS H 1 98 ALA H 1.800 . 3.500 2.544 2.292 2.689 . 0 0 "[ . 1 . 2]" 1
58 1 98 ALA H 1 99 GLY H 1.800 . 3.500 2.408 2.083 2.760 . 0 0 "[ . 1 . 2]" 1
59 1 99 GLY H 1 100 PHE H 1.800 . 5.000 3.146 2.810 3.810 . 0 0 "[ . 1 . 2]" 1
60 1 105 LEU H 1 106 SER H 1.800 . 5.000 2.800 2.407 4.055 . 0 0 "[ . 1 . 2]" 1
61 1 106 SER H 1 107 ASP H 1.800 . 3.500 2.292 1.798 2.724 0.002 10 0 "[ . 1 . 2]" 1
62 1 107 ASP H 1 108 ALA H 1.800 . 5.000 4.410 4.168 4.589 . 0 0 "[ . 1 . 2]" 1
63 1 108 ALA H 1 109 LYS H 1.800 . 5.000 2.614 2.473 2.899 . 0 0 "[ . 1 . 2]" 1
64 1 110 ASN H 1 111 MET H 1.800 . 3.500 2.676 2.429 2.826 . 0 0 "[ . 1 . 2]" 1
65 1 111 MET H 1 112 GLU H 1.800 . 3.500 2.622 2.422 2.734 . 0 0 "[ . 1 . 2]" 1
66 1 112 GLU H 1 113 PHE H 1.800 . 3.500 2.675 2.459 2.819 . 0 0 "[ . 1 . 2]" 1
67 1 113 PHE H 1 114 LEU H 1.800 . 3.500 2.612 2.455 2.750 . 0 0 "[ . 1 . 2]" 1
68 1 114 LEU H 1 115 ARG H 1.800 . 5.000 2.667 2.524 2.817 . 0 0 "[ . 1 . 2]" 1
69 1 115 ARG H 1 116 ASN H 1.800 . 5.000 2.549 2.380 2.672 . 0 0 "[ . 1 . 2]" 1
70 1 116 ASN H 1 117 TRP H 1.800 . 3.500 2.476 2.038 2.735 . 0 0 "[ . 1 . 2]" 1
71 1 117 TRP H 1 118 ASN H 1.800 . 5.000 4.448 4.129 4.624 . 0 0 "[ . 1 . 2]" 1
72 1 122 GLY H 1 123 LEU H 1.800 . 5.000 2.621 2.496 2.693 . 0 0 "[ . 1 . 2]" 1
73 1 123 LEU H 1 124 LEU H 1.800 . 3.500 2.509 2.426 2.594 . 0 0 "[ . 1 . 2]" 1
74 1 124 LEU H 1 125 ASN H 1.800 . 3.500 2.476 2.285 2.652 . 0 0 "[ . 1 . 2]" 1
75 1 125 ASN H 1 126 THR H 1.800 . 3.500 2.222 1.859 2.475 . 0 0 "[ . 1 . 2]" 1
76 1 127 LEU H 1 128 ARG H 1.800 . 5.000 4.549 4.377 4.637 . 0 0 "[ . 1 . 2]" 1
77 1 128 ARG H 1 129 LEU H 1.800 . 5.000 3.849 3.710 4.146 . 0 0 "[ . 1 . 2]" 1
78 1 134 ASP H 1 135 LYS H 1.800 . 5.000 4.033 2.973 4.298 . 0 0 "[ . 1 . 2]" 1
79 1 135 LYS H 1 136 GLY H 1.800 . 3.500 2.951 2.149 3.505 0.005 3 0 "[ . 1 . 2]" 1
80 1 136 GLY H 1 137 GLU H 1.800 . 3.500 2.385 1.908 2.711 . 0 0 "[ . 1 . 2]" 1
81 1 137 GLU H 1 138 GLN H 1.800 . 5.000 4.497 4.239 4.589 . 0 0 "[ . 1 . 2]" 1
82 1 142 GLY H 1 143 ASN H 1.800 . 2.900 2.498 1.877 2.956 0.056 19 0 "[ . 1 . 2]" 1
83 1 143 ASN H 1 144 GLU H 1.800 . 5.000 2.994 1.844 4.476 . 0 0 "[ . 1 . 2]" 1
84 1 46 ASP H 1 48 ALA H 1.800 . 5.000 4.705 4.436 5.020 0.020 3 0 "[ . 1 . 2]" 1
85 1 53 PHE H 1 55 GLN H 1.800 . 5.000 4.265 4.021 4.418 . 0 0 "[ . 1 . 2]" 1
86 1 69 LYS H 1 71 LYS H 1.800 . 5.000 4.025 3.835 4.286 . 0 0 "[ . 1 . 2]" 1
87 1 70 LYS H 1 72 ARG H 1.800 . 5.000 4.130 3.581 4.871 . 0 0 "[ . 1 . 2]" 1
88 1 97 LYS H 1 99 GLY H 1.800 . 5.000 4.037 3.573 4.361 . 0 0 "[ . 1 . 2]" 1
89 1 118 ASN H 1 120 THR H 1.800 . 5.000 3.474 2.697 4.432 . 0 0 "[ . 1 . 2]" 1
90 1 135 LYS H 1 137 GLU H 1.800 . 3.500 3.247 2.642 3.537 0.037 17 0 "[ . 1 . 2]" 1
91 1 24 LEU HA 1 25 ALA H 1.800 . 3.500 3.496 3.351 3.546 0.046 1 0 "[ . 1 . 2]" 1
92 1 36 SER HA 1 37 ASP H 1.800 . 3.500 2.376 2.228 2.547 . 0 0 "[ . 1 . 2]" 1
93 1 44 ILE HA 1 45 PHE H 1.800 . 3.500 2.295 2.183 2.434 . 0 0 "[ . 1 . 2]" 1
94 1 45 PHE HA 1 46 ASP H 1.800 . 3.500 2.607 2.087 2.943 . 0 0 "[ . 1 . 2]" 1
95 1 63 THR HA 1 64 GLU H 1.800 . 3.500 3.519 3.495 3.549 0.049 11 0 "[ . 1 . 2]" 1
96 1 72 ARG HA 1 73 ARG H 1.800 . 3.500 3.122 2.225 3.572 0.072 9 0 "[ . 1 . 2]" 1
97 1 73 ARG HA 1 74 SER H 1.800 . 3.500 3.185 2.211 3.543 0.043 19 0 "[ . 1 . 2]" 1
98 1 75 ASN HA 1 76 ARG H 1.800 . 3.500 3.254 2.615 3.539 0.039 13 0 "[ . 1 . 2]" 1
99 1 78 PRO HA 1 79 SER H 1.800 . 3.500 2.507 2.143 3.533 0.033 6 0 "[ . 1 . 2]" 1
100 1 101 LEU HA 1 102 CYS H 1.800 . 3.000 2.179 2.138 2.215 . 0 0 "[ . 1 . 2]" 1
101 1 107 ASP HA 1 108 ALA H 1.800 . 3.000 2.159 2.123 2.224 . 0 0 "[ . 1 . 2]" 1
102 1 117 TRP HA 1 118 ASN H 1.800 . 3.500 2.170 2.108 2.336 . 0 0 "[ . 1 . 2]" 1
103 1 125 ASN HA 1 126 THR H 1.800 . 3.500 3.428 3.109 3.500 . 0 0 "[ . 1 . 2]" 1
104 1 126 THR HA 1 127 LEU H 1.800 . 3.500 3.415 3.140 3.519 0.019 5 0 "[ . 1 . 2]" 1
105 1 127 LEU HA 1 128 ARG H 1.800 . 3.000 2.215 2.145 2.353 . 0 0 "[ . 1 . 2]" 1
106 1 128 ARG HA 1 129 LEU H 1.800 . 2.900 2.295 2.185 2.412 . 0 0 "[ . 1 . 2]" 1
107 1 129 LEU HA 1 130 ILE H 1.800 . 3.000 2.129 2.085 2.186 . 0 0 "[ . 1 . 2]" 1
108 1 130 ILE HA 1 131 ARG H 1.800 . 3.000 2.604 2.496 2.698 . 0 0 "[ . 1 . 2]" 1
109 1 131 ARG HA 1 132 ILE H 1.800 . 3.000 2.130 2.082 2.202 . 0 0 "[ . 1 . 2]" 1
110 1 132 ILE HA 1 133 ASN H 1.800 . 3.000 2.146 2.079 2.205 . 0 0 "[ . 1 . 2]" 1
111 1 133 ASN HA 1 134 ASP H 1.800 . 3.000 2.181 2.083 2.389 . 0 0 "[ . 1 . 2]" 1
112 1 137 GLU HA 1 138 GLN H 1.800 . 3.500 2.208 2.125 2.401 . 0 0 "[ . 1 . 2]" 1
113 1 138 GLN HA 1 139 VAL H 1.800 . 3.000 2.134 2.096 2.162 . 0 0 "[ . 1 . 2]" 1
114 1 139 VAL HA 1 140 VAL H 1.800 . 2.900 2.180 2.122 2.231 . 0 0 "[ . 1 . 2]" 1
115 1 140 VAL HA 1 141 GLY H 1.800 . 3.500 2.754 2.137 3.549 0.049 13 0 "[ . 1 . 2]" 1
116 1 35 ASN H 1 36 SER HA 1.800 . 5.000 4.955 4.735 5.058 0.058 1 0 "[ . 1 . 2]" 1
117 1 75 ASN H 1 76 ARG HA 1.800 . 5.000 4.840 3.983 5.073 0.073 16 0 "[ . 1 . 2]" 1
118 1 106 SER H 1 107 ASP HA 1.800 . 5.000 4.817 4.484 5.054 0.054 2 0 "[ . 1 . 2]" 1
119 1 135 LYS H 1 136 GLY QA 1.800 . 5.000 4.503 4.095 4.800 . 0 0 "[ . 1 . 2]" 1
120 1 34 VAL HA 1 36 SER H 1.800 . 5.000 4.078 3.782 4.450 . 0 0 "[ . 1 . 2]" 1
121 1 37 ASP HA 1 39 PHE H 1.800 . 5.000 4.062 3.877 4.185 . 0 0 "[ . 1 . 2]" 1
122 1 40 LYS HA 1 42 GLN H 1.800 . 5.000 3.731 3.328 4.418 . 0 0 "[ . 1 . 2]" 1
123 1 46 ASP HA 1 48 ALA H 1.800 . 5.000 4.287 3.880 4.598 . 0 0 "[ . 1 . 2]" 1
124 1 48 ALA HA 1 50 THR H 1.800 . 5.000 4.033 3.855 4.531 . 0 0 "[ . 1 . 2]" 1
125 1 61 ASP HA 1 63 THR H 1.800 . 5.000 3.819 3.548 4.263 . 0 0 "[ . 1 . 2]" 1
126 1 81 ARG HA 1 83 VAL H 1.800 . 5.000 4.393 3.816 4.695 . 0 0 "[ . 1 . 2]" 1
127 1 97 LYS HA 1 99 GLY H 1.800 . 5.000 3.759 3.220 4.614 . 0 0 "[ . 1 . 2]" 1
128 1 105 LEU HA 1 107 ASP H 1.800 . 5.000 3.825 3.429 4.673 . 0 0 "[ . 1 . 2]" 1
129 1 115 ARG HA 1 117 TRP H 1.800 . 5.000 3.760 3.466 4.271 . 0 0 "[ . 1 . 2]" 1
130 1 120 THR HA 1 122 GLY H 1.800 . 5.000 3.775 3.431 4.024 . 0 0 "[ . 1 . 2]" 1
131 1 123 LEU HA 1 125 ASN H 1.800 . 5.000 3.513 3.257 3.819 . 0 0 "[ . 1 . 2]" 1
132 1 125 ASN HA 1 127 LEU H 1.800 . 5.000 4.127 3.563 4.572 . 0 0 "[ . 1 . 2]" 1
133 1 24 LEU HA 1 27 VAL H 1.800 . 5.000 3.330 3.046 3.610 . 0 0 "[ . 1 . 2]" 1
134 1 25 ALA HA 1 28 LYS H 1.800 . 5.000 3.181 2.852 3.616 . 0 0 "[ . 1 . 2]" 1
135 1 27 VAL HA 1 30 MET H 1.800 . 5.000 3.430 3.207 3.605 . 0 0 "[ . 1 . 2]" 1
136 1 28 LYS HA 1 31 GLN H 1.800 . 5.000 3.318 3.010 3.732 . 0 0 "[ . 1 . 2]" 1
137 1 29 PHE HA 1 32 ASP H 1.800 . 5.000 3.482 3.231 3.739 . 0 0 "[ . 1 . 2]" 1
138 1 30 MET HA 1 33 VAL H 1.800 . 5.000 3.648 3.371 3.964 . 0 0 "[ . 1 . 2]" 1
139 1 31 GLN HA 1 34 VAL H 1.800 . 5.000 3.758 3.611 3.950 . 0 0 "[ . 1 . 2]" 1
140 1 32 ASP HA 1 35 ASN H 1.800 . 5.000 3.552 2.827 3.906 . 0 0 "[ . 1 . 2]" 1
141 1 33 VAL HA 1 36 SER H 1.800 . 5.000 3.504 3.109 4.018 . 0 0 "[ . 1 . 2]" 1
142 1 37 ASP HA 1 40 LYS H 1.800 . 2.900 2.825 2.626 2.976 0.076 11 0 "[ . 1 . 2]" 1
143 1 39 PHE HA 1 42 GLN H 1.800 . 5.000 3.737 3.433 4.131 . 0 0 "[ . 1 . 2]" 1
144 1 48 ALA HA 1 51 ARG H 1.800 . 5.000 3.456 3.236 3.839 . 0 0 "[ . 1 . 2]" 1
145 1 50 THR HA 1 53 PHE H 1.800 . 5.000 3.648 3.431 3.846 . 0 0 "[ . 1 . 2]" 1
146 1 52 GLU HA 1 55 GLN H 1.800 . 5.000 4.071 3.630 4.538 . 0 0 "[ . 1 . 2]" 1
147 1 54 ILE HA 1 57 PHE H 1.800 . 5.000 3.568 3.191 3.792 . 0 0 "[ . 1 . 2]" 1
148 1 61 ASP HA 1 64 GLU H 1.800 . 5.000 3.286 2.573 3.664 . 0 0 "[ . 1 . 2]" 1
149 1 62 ASP HA 1 65 LEU H 1.800 . 5.000 3.117 2.800 3.350 . 0 0 "[ . 1 . 2]" 1
150 1 63 THR HA 1 66 ASP H 1.800 . 3.500 3.350 2.961 3.523 0.023 9 0 "[ . 1 . 2]" 1
151 1 65 LEU HA 1 68 LEU H 1.800 . 5.000 3.307 3.134 3.620 . 0 0 "[ . 1 . 2]" 1
152 1 66 ASP HA 1 69 LYS H 1.800 . 5.000 3.111 2.711 3.471 . 0 0 "[ . 1 . 2]" 1
153 1 68 LEU HA 1 71 LYS H 1.800 . 5.000 3.403 2.981 3.821 . 0 0 "[ . 1 . 2]" 1
154 1 69 LYS HA 1 72 ARG H 1.800 . 5.000 4.046 3.353 5.048 0.048 18 0 "[ . 1 . 2]" 1
155 1 79 SER HA 1 82 GLN H 1.800 . 5.000 4.093 3.597 4.609 . 0 0 "[ . 1 . 2]" 1
156 1 81 ARG HA 1 84 LEU H 1.800 . 5.000 3.369 3.065 4.009 . 0 0 "[ . 1 . 2]" 1
157 1 83 VAL HA 1 86 GLN H 1.800 . 5.000 3.342 3.128 3.623 . 0 0 "[ . 1 . 2]" 1
158 1 91 GLN HA 1 94 LYS H 1.800 . 3.500 3.389 3.128 3.529 0.029 18 0 "[ . 1 . 2]" 1
159 1 92 GLU HA 1 95 GLU H 1.800 . 5.000 3.372 2.835 3.923 . 0 0 "[ . 1 . 2]" 1
160 1 93 LEU HA 1 96 PHE H 1.800 . 5.000 3.380 3.017 3.890 . 0 0 "[ . 1 . 2]" 1
161 1 95 GLU HA 1 98 ALA H 1.800 . 5.000 3.414 2.978 3.859 . 0 0 "[ . 1 . 2]" 1
162 1 96 PHE HA 1 99 GLY H 1.800 . 5.000 3.685 3.137 4.387 . 0 0 "[ . 1 . 2]" 1
163 1 108 ALA HA 1 111 MET H 1.800 . 5.000 3.364 3.201 3.758 . 0 0 "[ . 1 . 2]" 1
164 1 110 ASN HA 1 113 PHE H 1.800 . 5.000 3.424 2.896 3.704 . 0 0 "[ . 1 . 2]" 1
165 1 111 MET HA 1 114 LEU H 1.800 . 5.000 3.204 2.915 3.561 . 0 0 "[ . 1 . 2]" 1
166 1 112 GLU HA 1 115 ARG H 1.800 . 5.000 3.337 3.089 3.692 . 0 0 "[ . 1 . 2]" 1
167 1 113 PHE HA 1 116 ASN H 1.800 . 5.000 3.340 3.048 3.646 . 0 0 "[ . 1 . 2]" 1
168 1 114 LEU HA 1 117 TRP H 1.800 . 5.000 3.722 3.216 4.018 . 0 0 "[ . 1 . 2]" 1
169 1 121 PHE HA 1 124 LEU H 1.800 . 5.000 3.614 3.348 3.899 . 0 0 "[ . 1 . 2]" 1
170 1 122 GLY QA 1 125 ASN H 1.800 . 5.000 3.571 3.273 4.024 . 0 0 "[ . 1 . 2]" 1
171 1 123 LEU HA 1 126 THR H 1.800 . 5.000 3.053 2.722 3.518 . 0 0 "[ . 1 . 2]" 1
172 1 124 LEU HA 1 127 LEU H 1.800 . 5.000 3.349 3.062 3.662 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL HA 1 25 ALA H 1.800 . 5.000 3.423 2.807 4.344 . 0 0 "[ . 1 . 2]" 1
174 1 24 LEU HA 1 28 LYS H 1.800 . 5.000 4.343 3.979 4.766 . 0 0 "[ . 1 . 2]" 1
175 1 25 ALA HA 1 29 PHE H 1.800 . 5.000 3.933 3.715 4.297 . 0 0 "[ . 1 . 2]" 1
176 1 28 LYS HA 1 32 ASP H 1.800 . 5.000 3.867 3.634 4.142 . 0 0 "[ . 1 . 2]" 1
177 1 29 PHE HA 1 33 VAL H 1.800 . 5.000 3.985 3.780 4.265 . 0 0 "[ . 1 . 2]" 1
178 1 62 ASP HA 1 66 ASP H 1.800 . 5.000 3.987 3.684 5.040 0.040 17 0 "[ . 1 . 2]" 1
179 1 63 THR HA 1 67 GLU H 1.800 . 5.000 4.652 4.158 5.005 0.005 17 0 "[ . 1 . 2]" 1
180 1 66 ASP HA 1 70 LYS H 1.800 . 5.000 4.185 3.749 4.943 . 0 0 "[ . 1 . 2]" 1
181 1 80 ASN HA 1 84 LEU H 1.800 . 5.000 4.192 3.667 4.911 . 0 0 "[ . 1 . 2]" 1
182 1 82 GLN HA 1 86 GLN H 1.800 . 5.000 4.243 3.905 4.891 . 0 0 "[ . 1 . 2]" 1
183 1 83 VAL HA 1 87 GLN H 1.800 . 5.000 4.151 3.871 4.678 . 0 0 "[ . 1 . 2]" 1
184 1 86 GLN HA 1 90 ASP H 1.800 . 5.000 4.135 3.763 4.631 . 0 0 "[ . 1 . 2]" 1
185 1 87 GLN HA 1 91 GLN H 1.800 . 5.000 3.926 3.334 4.478 . 0 0 "[ . 1 . 2]" 1
186 1 92 GLU HA 1 96 PHE H 1.800 . 5.000 4.039 3.471 4.396 . 0 0 "[ . 1 . 2]" 1
187 1 113 PHE HA 1 117 TRP H 1.800 . 5.000 4.888 4.171 5.027 0.027 4 0 "[ . 1 . 2]" 1
188 1 21 VAL HB 1 22 HIS H 1.800 . 5.000 3.240 2.549 4.138 . 0 0 "[ . 1 . 2]" 1
189 1 27 VAL HB 1 28 LYS H 1.800 . 5.000 2.631 2.489 2.722 . 0 0 "[ . 1 . 2]" 1
190 1 28 LYS QB 1 29 PHE H 1.800 . 4.500 2.596 2.421 2.823 . 0 0 "[ . 1 . 2]" 1
191 1 33 VAL HB 1 34 VAL H 1.800 . 5.000 2.955 2.587 4.011 . 0 0 "[ . 1 . 2]" 1
192 1 37 ASP QB 1 38 THR H 1.800 . 4.500 3.359 2.975 3.882 . 0 0 "[ . 1 . 2]" 1
193 1 38 THR HB 1 39 PHE H 1.800 . 3.500 2.397 2.209 2.763 . 0 0 "[ . 1 . 2]" 1
194 1 43 PRO QB 1 44 ILE H 1.800 . 3.500 2.629 1.851 3.409 . 0 0 "[ . 1 . 2]" 1
195 1 44 ILE HB 1 45 PHE H 1.800 . 5.000 3.772 3.322 4.053 . 0 0 "[ . 1 . 2]" 1
196 1 50 THR HB 1 51 ARG H 1.800 . 5.000 2.198 2.116 2.329 . 0 0 "[ . 1 . 2]" 1
197 1 54 ILE HB 1 55 GLN H 1.800 . 5.000 2.576 2.414 2.784 . 0 0 "[ . 1 . 2]" 1
198 1 58 ILE HB 1 59 GLU H 1.800 . 5.000 2.732 2.348 3.167 . 0 0 "[ . 1 . 2]" 1
199 1 63 THR HB 1 64 GLU H 1.800 . 3.500 2.721 2.421 2.965 . 0 0 "[ . 1 . 2]" 1
200 1 66 ASP QB 1 67 GLU H 1.800 . 3.500 2.744 2.506 3.022 . 0 0 "[ . 1 . 2]" 1
201 1 67 GLU QB 1 68 LEU H 1.800 . 4.500 2.650 2.364 2.858 . 0 0 "[ . 1 . 2]" 1
202 1 69 LYS QB 1 70 LYS H 1.800 . 3.500 2.690 2.352 3.168 . 0 0 "[ . 1 . 2]" 1
203 1 83 VAL HB 1 84 LEU H 1.800 . 3.500 2.653 2.435 2.905 . 0 0 "[ . 1 . 2]" 1
204 1 94 LYS QB 1 95 GLU H 1.800 . 4.500 2.561 2.400 2.765 . 0 0 "[ . 1 . 2]" 1
205 1 97 LYS QB 1 98 ALA H 1.800 . 4.500 2.974 2.649 3.538 . 0 0 "[ . 1 . 2]" 1
206 1 126 THR HB 1 127 LEU H 1.800 . 5.000 3.970 3.678 4.413 . 0 0 "[ . 1 . 2]" 1
207 1 130 ILE HB 1 131 ARG H 1.800 . 5.000 2.024 1.858 2.211 . 0 0 "[ . 1 . 2]" 1
208 1 139 VAL HB 1 140 VAL H 1.800 . 5.000 4.280 3.936 4.393 . 0 0 "[ . 1 . 2]" 1
209 1 140 VAL HB 1 141 GLY H 1.800 . 3.500 2.644 1.950 3.561 0.061 14 0 "[ . 1 . 2]" 1
210 1 21 VAL MG2 1 22 HIS H 1.800 . 5.000 3.773 2.540 4.113 . 0 0 "[ . 1 . 2]" 1
211 1 21 VAL MG1 1 22 HIS H 1.800 . 5.000 3.648 2.451 4.435 . 0 0 "[ . 1 . 2]" 1
212 1 27 VAL MG2 1 28 LYS H 1.800 . 5.000 3.814 3.672 3.909 . 0 0 "[ . 1 . 2]" 1
213 1 27 VAL MG1 1 28 LYS H 1.800 . 5.000 3.471 3.361 3.594 . 0 0 "[ . 1 . 2]" 1
214 1 29 PHE QD 1 30 MET H 1.800 . 5.000 3.353 3.004 3.734 . 0 0 "[ . 1 . 2]" 1
215 1 33 VAL MG1 1 34 VAL H 1.800 . 5.000 3.147 2.263 3.535 . 0 0 "[ . 1 . 2]" 1
216 1 33 VAL MG2 1 34 VAL H 1.800 . 5.000 3.931 3.797 4.011 . 0 0 "[ . 1 . 2]" 1
217 1 34 VAL MG2 1 35 ASN H 1.800 . 5.000 3.628 2.380 3.962 . 0 0 "[ . 1 . 2]" 1
218 1 34 VAL MG1 1 35 ASN H 1.800 . 5.000 3.740 3.452 4.302 . 0 0 "[ . 1 . 2]" 1
219 1 38 THR MG 1 39 PHE H 1.800 . 5.000 3.450 3.232 3.605 . 0 0 "[ . 1 . 2]" 1
220 1 40 LYS QG 1 41 GLY H 1.800 . 5.000 4.066 2.798 4.348 . 0 0 "[ . 1 . 2]" 1
221 1 43 PRO QD 1 44 ILE H 1.800 . 5.000 2.618 2.151 3.155 . 0 0 "[ . 1 . 2]" 1
222 1 44 ILE MG 1 45 PHE H 1.800 . 5.000 2.149 1.787 2.558 0.013 5 0 "[ . 1 . 2]" 1
223 1 44 ILE MD 1 45 PHE H 1.800 . 5.000 3.885 3.517 4.887 . 0 0 "[ . 1 . 2]" 1
224 1 50 THR MG 1 51 ARG H 1.800 . 5.000 3.001 2.741 3.217 . 0 0 "[ . 1 . 2]" 1
225 1 54 ILE MD 1 55 GLN H 1.800 . 5.000 4.607 4.471 4.672 . 0 0 "[ . 1 . 2]" 1
226 1 55 GLN QG 1 56 SER H 1.800 . 5.000 3.820 3.388 4.404 . 0 0 "[ . 1 . 2]" 1
227 1 58 ILE MG 1 59 GLU H 1.800 . 5.000 3.592 3.211 3.943 . 0 0 "[ . 1 . 2]" 1
228 1 63 THR MG 1 64 GLU H 1.800 . 5.000 3.714 3.535 3.871 . 0 0 "[ . 1 . 2]" 1
229 1 65 LEU QD 1 66 ASP H 1.800 . 5.000 4.003 3.710 4.157 . 0 0 "[ . 1 . 2]" 1
230 1 68 LEU MD2 1 69 LYS H 1.800 . 5.000 4.631 4.556 4.697 . 0 0 "[ . 1 . 2]" 1
231 1 68 LEU MD1 1 69 LYS H 1.800 . 5.000 4.582 3.838 4.827 . 0 0 "[ . 1 . 2]" 1
232 1 71 LYS QG 1 72 ARG H 1.800 . 5.000 4.253 3.838 4.644 . 0 0 "[ . 1 . 2]" 1
233 1 83 VAL MG2 1 84 LEU H 1.800 . 5.000 3.828 3.707 3.953 . 0 0 "[ . 1 . 2]" 1
234 1 83 VAL MG1 1 84 LEU H 1.800 . 5.000 3.473 3.274 3.704 . 0 0 "[ . 1 . 2]" 1
235 1 85 LEU HG 1 86 GLN H 1.800 . 5.000 4.293 3.491 4.863 . 0 0 "[ . 1 . 2]" 1
236 1 85 LEU MD1 1 86 GLN H 1.800 . 5.000 3.795 3.199 4.414 . 0 0 "[ . 1 . 2]" 1
237 1 85 LEU MD2 1 86 GLN H 1.800 . 5.000 4.423 4.027 4.650 . 0 0 "[ . 1 . 2]" 1
238 1 86 GLN QG 1 87 GLN H 1.800 . 5.000 3.652 3.300 4.104 . 0 0 "[ . 1 . 2]" 1
239 1 91 GLN QG 1 92 GLU H 1.800 . 5.000 3.547 3.132 3.938 . 0 0 "[ . 1 . 2]" 1
240 1 93 LEU QD 1 94 LYS H 1.800 . 5.000 4.082 3.849 4.254 . 0 0 "[ . 1 . 2]" 1
241 1 95 GLU QG 1 96 PHE H 1.800 . 5.000 3.860 3.425 4.682 . 0 0 "[ . 1 . 2]" 1
242 1 96 PHE QD 1 97 LYS H 1.800 . 5.000 3.950 3.284 4.753 . 0 0 "[ . 1 . 2]" 1
243 1 101 LEU QD 1 102 CYS H 1.800 . 5.000 3.160 3.011 3.362 . 0 0 "[ . 1 . 2]" 1
244 1 114 LEU MD2 1 115 ARG H 1.800 . 5.000 3.427 2.984 4.706 . 0 0 "[ . 1 . 2]" 1
245 1 114 LEU MD1 1 115 ARG H 1.800 . 5.000 4.745 4.215 4.917 . 0 0 "[ . 1 . 2]" 1
246 1 117 TRP HD1 1 118 ASN H 1.800 . 5.000 3.779 3.302 4.212 . 0 0 "[ . 1 . 2]" 1
247 1 126 THR MG 1 127 LEU H 1.800 . 5.000 3.971 3.756 4.175 . 0 0 "[ . 1 . 2]" 1
248 1 127 LEU HG 1 128 ARG H 1.800 . 5.000 4.728 3.652 5.024 0.024 11 0 "[ . 1 . 2]" 1
249 1 127 LEU QD 1 128 ARG H 1.800 . 5.000 3.023 1.960 3.445 . 0 0 "[ . 1 . 2]" 1
250 1 128 ARG QG 1 129 LEU H 1.800 . 5.000 4.165 3.602 4.483 . 0 0 "[ . 1 . 2]" 1
251 1 129 LEU QD 1 130 ILE H 1.800 . 5.000 3.749 3.383 4.207 . 0 0 "[ . 1 . 2]" 1
252 1 130 ILE QG 1 131 ARG H 1.800 . 5.000 3.259 3.037 3.470 . 0 0 "[ . 1 . 2]" 1
253 1 130 ILE MG 1 131 ARG H 1.800 . 5.000 3.490 3.386 3.655 . 0 0 "[ . 1 . 2]" 1
254 1 130 ILE MD 1 131 ARG H 1.800 . 5.000 3.893 3.559 4.143 . 0 0 "[ . 1 . 2]" 1
255 1 131 ARG QG 1 132 ILE H 1.800 . 5.000 4.063 2.959 4.836 . 0 0 "[ . 1 . 2]" 1
256 1 132 ILE MG 1 133 ASN H 1.800 . 5.000 2.642 2.484 2.896 . 0 0 "[ . 1 . 2]" 1
257 1 132 ILE MD 1 133 ASN H 1.800 . 5.000 4.940 4.804 5.037 0.037 5 0 "[ . 1 . 2]" 1
258 1 138 GLN QG 1 139 VAL H 1.800 . 5.000 3.071 2.443 3.538 . 0 0 "[ . 1 . 2]" 1
259 1 139 VAL MG1 1 140 VAL H 1.800 . 5.000 3.096 2.482 3.484 . 0 0 "[ . 1 . 2]" 1
260 1 139 VAL MG2 1 140 VAL H 1.800 . 5.000 4.237 4.017 4.383 . 0 0 "[ . 1 . 2]" 1
261 1 140 VAL MG2 1 141 GLY H 1.800 . 5.000 3.451 1.970 4.051 . 0 0 "[ . 1 . 2]" 1
262 1 140 VAL MG1 1 141 GLY H 1.800 . 5.000 3.615 2.849 3.992 . 0 0 "[ . 1 . 2]" 1
263 1 36 SER QB 1 38 THR H 1.800 . 5.000 2.803 2.621 3.175 . 0 0 "[ . 1 . 2]" 1
264 1 42 GLN QB 1 44 ILE H 1.800 . 5.000 3.688 2.961 4.473 . 0 0 "[ . 1 . 2]" 1
265 1 46 ASP QB 1 48 ALA H 1.800 . 5.000 2.779 2.326 3.399 . 0 0 "[ . 1 . 2]" 1
266 1 52 GLU QB 1 54 ILE H 1.800 . 5.000 4.588 4.403 4.846 . 0 0 "[ . 1 . 2]" 1
267 1 67 GLU QB 1 69 LYS H 1.800 . 5.000 4.579 4.299 4.767 . 0 0 "[ . 1 . 2]" 1
268 1 87 GLN QB 1 89 ARG H 1.800 . 5.000 4.847 4.521 5.121 0.121 3 0 "[ . 1 . 2]" 1
269 1 114 LEU QB 1 116 ASN H 1.800 . 5.000 4.532 4.242 4.768 . 0 0 "[ . 1 . 2]" 1
270 1 135 LYS QB 1 137 GLU H 1.800 . 5.000 4.286 3.087 4.988 . 0 0 "[ . 1 . 2]" 1
271 1 132 ILE MG 1 134 ASP H 1.800 . 5.000 4.220 3.268 5.032 0.032 12 0 "[ . 1 . 2]" 1
272 1 140 VAL QG 1 142 GLY H 1.800 . 5.000 3.697 2.000 5.048 0.048 2 0 "[ . 1 . 2]" 1
273 1 36 SER QB 1 39 PHE H 1.800 . 5.000 4.104 3.381 4.965 . 0 0 "[ . 1 . 2]" 1
274 1 78 PRO QB 1 81 ARG H 1.800 . 3.500 2.962 1.917 3.512 0.012 13 0 "[ . 1 . 2]" 1
275 1 104 ASP QB 1 107 ASP H 1.800 . 5.000 3.660 2.841 4.569 . 0 0 "[ . 1 . 2]" 1
276 1 108 ALA MB 1 111 MET H 1.800 . 5.000 4.554 4.408 4.862 . 0 0 "[ . 1 . 2]" 1
277 1 36 SER HG 1 39 PHE H 1.800 . 5.000 4.705 4.184 5.029 0.029 2 0 "[ . 1 . 2]" 1
278 1 50 THR MG 1 53 PHE H 1.800 . 5.000 4.868 4.672 5.008 0.008 18 0 "[ . 1 . 2]" 1
279 1 91 GLN QG 1 94 LYS H 1.800 . 5.000 4.765 4.408 5.046 0.046 16 0 "[ . 1 . 2]" 1
280 1 117 TRP HE1 1 120 THR H 1.800 . 5.000 3.693 2.652 4.701 . 0 0 "[ . 1 . 2]" 1
281 1 124 LEU QD 1 127 LEU H 1.800 . 5.000 4.471 3.981 4.877 . 0 0 "[ . 1 . 2]" 1
282 1 78 PRO QB 1 82 GLN H 1.800 . 3.500 2.611 2.295 3.126 . 0 0 "[ . 1 . 2]" 1
283 1 133 ASN QB 1 137 GLU H 1.800 . 5.000 3.955 2.443 5.013 0.013 9 0 "[ . 1 . 2]" 1
284 1 21 VAL MG2 1 25 ALA H 1.800 . 5.000 4.830 2.628 5.109 0.109 6 0 "[ . 1 . 2]" 1
285 1 21 VAL MG1 1 25 ALA H 1.800 . 5.000 3.676 2.862 4.640 . 0 0 "[ . 1 . 2]" 1
286 1 31 GLN QG 1 35 ASN H 1.800 . 5.000 4.411 4.101 5.038 0.038 4 0 "[ . 1 . 2]" 1
287 1 63 THR MG 1 67 GLU H 1.800 . 5.000 4.709 4.260 5.015 0.015 1 0 "[ . 1 . 2]" 1
288 1 86 GLN QG 1 90 ASP H 1.800 . 5.000 3.874 3.175 4.402 . 0 0 "[ . 1 . 2]" 1
289 1 91 GLN QG 1 95 GLU H 1.800 . 5.000 4.152 3.817 4.626 . 0 0 "[ . 1 . 2]" 1
290 1 132 ILE MG 1 136 GLY H 1.800 . 5.000 2.673 2.220 3.792 . 0 0 "[ . 1 . 2]" 1
291 1 21 VAL HA 1 24 LEU QB 1.800 . 5.000 2.940 1.788 4.385 0.012 11 0 "[ . 1 . 2]" 1
292 1 22 HIS HA 1 25 ALA MB 1.800 . 5.000 3.231 1.796 4.196 0.004 6 0 "[ . 1 . 2]" 1
293 1 25 ALA HA 1 28 LYS QB 1.800 . 5.000 2.388 1.792 3.003 0.008 12 0 "[ . 1 . 2]" 1
294 1 27 VAL HA 1 30 MET QB 1.800 . 5.000 2.705 2.341 2.945 . 0 0 "[ . 1 . 2]" 1
295 1 28 LYS HA 1 31 GLN QB 1.800 . 5.000 2.436 1.983 2.971 . 0 0 "[ . 1 . 2]" 1
296 1 29 PHE HA 1 32 ASP QB 1.800 . 5.000 2.677 2.378 3.182 . 0 0 "[ . 1 . 2]" 1
297 1 30 MET HA 1 33 VAL HB 1.800 . 5.000 3.116 2.593 4.220 . 0 0 "[ . 1 . 2]" 1
298 1 32 ASP HA 1 35 ASN QB 1.800 . 4.500 2.822 1.775 3.261 0.025 5 0 "[ . 1 . 2]" 1
299 1 33 VAL HA 1 36 SER QB 1.800 . 5.000 3.136 1.829 4.672 . 0 0 "[ . 1 . 2]" 1
300 1 47 HIS HA 1 50 THR HB 1.800 . 5.000 2.522 2.022 2.944 . 0 0 "[ . 1 . 2]" 1
301 1 48 ALA HA 1 51 ARG QB 1.800 . 5.000 3.280 2.132 4.444 . 0 0 "[ . 1 . 2]" 1
302 1 49 HIS HA 1 52 GLU QB 1.800 . 5.000 2.022 1.740 2.862 0.060 7 0 "[ . 1 . 2]" 1
303 1 51 ARG HA 1 54 ILE HB 1.800 . 5.000 2.783 2.347 3.578 . 0 0 "[ . 1 . 2]" 1
304 1 55 GLN HA 1 58 ILE HB 1.800 . 5.000 2.836 2.351 3.292 . 0 0 "[ . 1 . 2]" 1
305 1 61 ASP HA 1 64 GLU QB 1.800 . 5.000 3.203 2.279 3.985 . 0 0 "[ . 1 . 2]" 1
306 1 62 ASP HA 1 65 LEU QB 1.800 . 5.000 2.142 1.862 2.749 . 0 0 "[ . 1 . 2]" 1
307 1 63 THR HA 1 66 ASP QB 1.800 . 5.000 2.658 2.054 3.301 . 0 0 "[ . 1 . 2]" 1
308 1 66 ASP HA 1 69 LYS QB 1.800 . 5.000 2.380 1.794 2.697 0.006 13 0 "[ . 1 . 2]" 1
309 1 68 LEU HA 1 71 LYS QB 1.800 . 5.000 2.865 2.315 3.609 . 0 0 "[ . 1 . 2]" 1
310 1 80 ASN HA 1 83 VAL HB 1.800 . 5.000 3.260 2.672 3.881 . 0 0 "[ . 1 . 2]" 1
311 1 81 ARG HA 1 84 LEU QB 1.800 . 5.000 2.450 1.931 3.170 . 0 0 "[ . 1 . 2]" 1
312 1 82 GLN HA 1 85 LEU QB 1.800 . 5.000 2.801 2.337 3.037 . 0 0 "[ . 1 . 2]" 1
313 1 83 VAL HA 1 86 GLN QB 1.800 . 5.000 2.575 2.198 2.994 . 0 0 "[ . 1 . 2]" 1
314 1 84 LEU HA 1 87 GLN QB 1.800 . 5.000 2.732 2.242 3.304 . 0 0 "[ . 1 . 2]" 1
315 1 87 GLN HA 1 90 ASP QB 1.800 . 5.000 2.405 1.930 3.069 . 0 0 "[ . 1 . 2]" 1
316 1 90 ASP HA 1 93 LEU QB 1.800 . 3.500 2.701 2.189 3.441 . 0 0 "[ . 1 . 2]" 1
317 1 93 LEU HA 1 96 PHE QB 1.800 . 5.000 2.472 1.867 3.509 . 0 0 "[ . 1 . 2]" 1
318 1 94 LYS HA 1 97 LYS QB 1.800 . 4.500 2.814 2.278 3.779 . 0 0 "[ . 1 . 2]" 1
319 1 95 GLU HA 1 98 ALA MB 1.800 . 5.000 2.745 2.177 3.288 . 0 0 "[ . 1 . 2]" 1
320 1 108 ALA HA 1 111 MET QB 1.800 . 5.000 2.474 2.180 2.933 . 0 0 "[ . 1 . 2]" 1
321 1 110 ASN HA 1 113 PHE QB 1.800 . 5.000 2.898 2.107 3.629 . 0 0 "[ . 1 . 2]" 1
322 1 111 MET HA 1 114 LEU QB 1.800 . 5.000 2.138 1.795 2.404 0.005 8 0 "[ . 1 . 2]" 1
323 1 113 PHE HA 1 116 ASN QB 1.800 . 5.000 2.735 2.316 3.177 . 0 0 "[ . 1 . 2]" 1
324 1 114 LEU HA 1 117 TRP QB 1.800 . 5.000 2.565 2.196 2.984 . 0 0 "[ . 1 . 2]" 1
325 1 121 PHE HA 1 124 LEU QB 1.800 . 5.000 3.710 2.971 4.417 . 0 0 "[ . 1 . 2]" 1
326 1 21 VAL HA 1 24 LEU QD 1.800 . 5.000 3.168 1.838 4.721 . 0 0 "[ . 1 . 2]" 1
327 1 24 LEU HA 1 27 VAL MG2 1.800 . 5.000 2.958 2.394 3.489 . 0 0 "[ . 1 . 2]" 1
328 1 24 LEU HA 1 27 VAL MG1 1.800 . 5.000 4.520 4.056 5.010 0.010 8 0 "[ . 1 . 2]" 1
329 1 27 VAL HA 1 30 MET ME 1.800 . 5.000 4.039 3.662 4.665 . 0 0 "[ . 1 . 2]" 1
330 1 30 MET HA 1 33 VAL MG1 1.800 . 5.000 3.758 1.794 4.505 0.006 4 0 "[ . 1 . 2]" 1
331 1 30 MET HA 1 33 VAL MG2 1.800 . 5.000 3.623 2.891 4.803 . 0 0 "[ . 1 . 2]" 1
332 1 31 GLN HA 1 34 VAL MG2 1.800 . 5.000 3.197 2.181 4.086 . 0 0 "[ . 1 . 2]" 1
333 1 31 GLN HA 1 34 VAL MG1 1.800 . 5.000 4.416 3.818 4.830 . 0 0 "[ . 1 . 2]" 1
334 1 37 ASP HA 1 40 LYS QG 1.800 . 5.000 3.934 2.634 4.519 . 0 0 "[ . 1 . 2]" 1
335 1 37 ASP HA 1 40 LYS QE 1.800 . 5.000 3.909 2.091 5.058 0.058 1 0 "[ . 1 . 2]" 1
336 1 47 HIS HA 1 50 THR MG 1.800 . 5.000 3.654 3.255 3.994 . 0 0 "[ . 1 . 2]" 1
337 1 50 THR HA 1 53 PHE QD 1.800 . 5.000 4.062 2.960 4.952 . 0 0 "[ . 1 . 2]" 1
338 1 51 ARG HA 1 54 ILE MG 1.800 . 5.000 4.065 3.596 4.797 . 0 0 "[ . 1 . 2]" 1
339 1 55 GLN HA 1 58 ILE MD 1.800 . 5.000 2.497 1.980 3.387 . 0 0 "[ . 1 . 2]" 1
340 1 60 ARG HA 1 63 THR MG 1.800 . 5.000 4.535 3.792 5.062 0.062 2 0 "[ . 1 . 2]" 1
341 1 62 ASP HA 1 65 LEU HG 1.800 . 5.000 4.383 4.018 4.943 . 0 0 "[ . 1 . 2]" 1
342 1 62 ASP HA 1 65 LEU QD 1.800 . 5.000 2.889 2.228 3.426 . 0 0 "[ . 1 . 2]" 1
343 1 64 GLU HA 1 67 GLU QG 1.800 . 5.000 3.022 2.002 3.658 . 0 0 "[ . 1 . 2]" 1
344 1 65 LEU HA 1 68 LEU HG 1.800 . 5.000 3.163 2.702 5.065 0.065 13 0 "[ . 1 . 2]" 1
345 1 65 LEU HA 1 68 LEU MD2 1.800 . 5.000 4.483 3.479 5.015 0.015 6 0 "[ . 1 . 2]" 1
346 1 65 LEU HA 1 68 LEU MD1 1.800 . 5.000 2.551 2.092 3.081 . 0 0 "[ . 1 . 2]" 1
347 1 66 ASP HA 1 69 LYS QG 1.800 . 5.000 2.939 2.204 3.945 . 0 0 "[ . 1 . 2]" 1
348 1 68 LEU HA 1 71 LYS QG 1.800 . 5.000 3.542 2.226 4.461 . 0 0 "[ . 1 . 2]" 1
349 1 80 ASN HA 1 83 VAL QG 1.800 . 5.000 3.378 2.559 4.192 . 0 0 "[ . 1 . 2]" 1
350 1 81 ARG HA 1 84 LEU QD 1.800 . 5.000 3.052 2.239 3.827 . 0 0 "[ . 1 . 2]" 1
351 1 82 GLN HA 1 85 LEU HG 1.800 . 5.000 4.633 3.920 5.065 0.065 8 0 "[ . 1 . 2]" 1
352 1 84 LEU HA 1 87 GLN QG 1.800 . 5.000 3.073 1.889 3.872 . 0 0 "[ . 1 . 2]" 1
353 1 90 ASP HA 1 93 LEU QD 1.800 . 5.000 2.735 1.817 3.804 . 0 0 "[ . 1 . 2]" 1
354 1 92 GLU HA 1 95 GLU QG 1.800 . 5.000 4.456 3.570 5.033 0.033 18 0 "[ . 1 . 2]" 1
355 1 108 ALA HA 1 111 MET ME 1.800 . 5.000 5.055 5.016 5.105 0.105 19 0 "[ . 1 . 2]" 1
356 1 111 MET HA 1 114 LEU HG 1.800 . 5.000 4.770 3.289 5.036 0.036 10 0 "[ . 1 . 2]" 1
357 1 111 MET HA 1 114 LEU MD2 1.800 . 5.000 3.389 2.899 4.626 . 0 0 "[ . 1 . 2]" 1
358 1 111 MET HA 1 114 LEU MD1 1.800 . 5.000 3.121 2.291 3.518 . 0 0 "[ . 1 . 2]" 1
359 1 121 PHE HA 1 124 LEU HG 1.800 . 5.000 3.211 2.359 4.336 . 0 0 "[ . 1 . 2]" 1
360 1 121 PHE HA 1 124 LEU MD2 1.800 . 5.000 3.051 1.772 4.369 0.028 12 0 "[ . 1 . 2]" 1
361 1 123 LEU HA 1 126 THR MG 1.800 . 5.000 2.853 2.697 3.090 . 0 0 "[ . 1 . 2]" 1
362 1 124 LEU HA 1 127 LEU MD1 1.800 . 5.000 2.551 1.880 3.464 . 0 0 "[ . 1 . 2]" 1
363 1 32 ASP H 1 35 ASN H 1.800 . 5.000 4.790 4.524 4.975 . 0 0 "[ . 1 . 2]" 1
364 1 36 SER H 1 39 PHE H 1.800 . 5.000 4.355 4.011 4.665 . 0 0 "[ . 1 . 2]" 1
365 1 36 SER H 1 40 LYS H 1.800 . 5.000 4.963 4.595 5.031 0.031 18 0 "[ . 1 . 2]" 1
366 1 46 ASP H 1 49 HIS H 1.800 . 5.000 3.473 2.908 4.205 . 0 0 "[ . 1 . 2]" 1
367 1 67 GLU H 1 70 LYS H 1.800 . 5.000 4.685 4.534 5.006 0.006 14 0 "[ . 1 . 2]" 1
368 1 84 LEU H 1 87 GLN H 1.800 . 5.000 4.701 4.500 4.885 . 0 0 "[ . 1 . 2]" 1
369 1 91 GLN H 1 94 LYS H 1.800 . 5.000 4.681 4.487 4.917 . 0 0 "[ . 1 . 2]" 1
370 1 99 GLY H 1 134 ASP H 1.800 . 5.000 4.547 3.157 5.031 0.031 13 0 "[ . 1 . 2]" 1
371 1 100 PHE H 1 132 ILE H 1.800 . 5.000 3.134 2.936 3.584 . 0 0 "[ . 1 . 2]" 1
372 1 102 CYS H 1 130 ILE H 1.800 . 5.000 3.428 3.164 3.756 . 0 0 "[ . 1 . 2]" 1
373 1 133 ASN H 1 137 GLU H 1.800 . 5.000 3.062 2.771 3.456 . 0 0 "[ . 1 . 2]" 1
374 1 97 LYS HA 1 134 ASP H 1.800 . 5.000 3.404 1.835 4.425 . 0 0 "[ . 1 . 2]" 1
375 1 99 GLY QA 1 132 ILE H 1.800 . 5.000 3.427 3.031 3.894 . 0 0 "[ . 1 . 2]" 1
376 1 101 LEU HA 1 132 ILE H 1.800 . 5.000 3.765 3.432 4.032 . 0 0 "[ . 1 . 2]" 1
377 1 132 ILE HA 1 137 GLU H 1.800 . 5.000 4.276 4.098 4.561 . 0 0 "[ . 1 . 2]" 1
378 1 45 PHE H 1 106 SER HA 1.800 . 5.000 3.834 2.991 5.023 0.023 10 0 "[ . 1 . 2]" 1
379 1 99 GLY H 1 133 ASN HA 1.800 . 5.000 3.456 3.031 4.039 . 0 0 "[ . 1 . 2]" 1
380 1 35 ASN HA 1 40 LYS HA 1.800 . 5.000 4.810 4.172 5.051 0.051 14 0 "[ . 1 . 2]" 1
381 1 99 GLY QA 1 133 ASN HA 1.800 . 5.000 2.707 1.776 3.587 0.024 3 0 "[ . 1 . 2]" 1
382 1 101 LEU HA 1 131 ARG HA 1.800 . 5.000 2.764 2.431 3.157 . 0 0 "[ . 1 . 2]" 1
383 1 30 MET ME 1 54 ILE H 1.800 . 5.000 4.546 4.085 4.930 . 0 0 "[ . 1 . 2]" 1
384 1 31 GLN QG 1 117 TRP H 1.800 . 5.000 3.411 2.617 4.708 . 0 0 "[ . 1 . 2]" 1
385 1 34 VAL QG 1 115 ARG H 1.800 . 5.000 4.535 3.741 5.021 0.021 9 0 "[ . 1 . 2]" 1
386 1 44 ILE MG 1 107 ASP H 1.800 . 5.000 3.678 3.014 4.526 . 0 0 "[ . 1 . 2]" 1
387 1 44 ILE MG 1 108 ALA H 1.800 . 5.000 4.034 3.393 5.007 0.007 10 0 "[ . 1 . 2]" 1
388 1 44 ILE MG 1 111 MET H 1.800 . 5.000 4.843 4.030 5.095 0.095 2 0 "[ . 1 . 2]" 1
389 1 50 THR MG 1 137 GLU H 1.800 . 5.000 4.983 4.518 5.078 0.078 11 0 "[ . 1 . 2]" 1
390 1 51 ARG QB 1 135 LYS H 1.800 . 5.000 4.549 4.132 5.024 0.024 3 0 "[ . 1 . 2]" 1
391 1 51 ARG QB 1 136 GLY H 1.800 . 5.000 3.514 2.686 4.684 . 0 0 "[ . 1 . 2]" 1
392 1 58 ILE MG 1 93 LEU H 1.800 . 5.000 4.165 3.352 5.013 0.013 15 0 "[ . 1 . 2]" 1
393 1 65 LEU MD1 1 86 GLN H 1.800 . 5.000 3.625 2.591 4.296 . 0 0 "[ . 1 . 2]" 1
394 1 65 LEU MD2 1 86 GLN H 1.800 . 5.000 4.483 2.963 5.020 0.020 2 0 "[ . 1 . 2]" 1
395 1 68 LEU QB 1 82 GLN H 1.800 . 5.000 4.659 3.835 5.033 0.033 19 0 "[ . 1 . 2]" 1
396 1 68 LEU QD 1 82 GLN H 1.800 . 5.000 3.390 2.879 3.938 . 0 0 "[ . 1 . 2]" 1
397 1 68 LEU QD 1 83 VAL H 1.800 . 5.000 4.719 4.475 5.035 0.035 13 0 "[ . 1 . 2]" 1
398 1 68 LEU QD 1 86 GLN H 1.800 . 5.000 4.731 4.265 5.038 0.038 9 0 "[ . 1 . 2]" 1
399 1 78 PRO QB 1 83 VAL H 1.800 . 5.000 4.957 4.609 5.121 0.121 19 0 "[ . 1 . 2]" 1
400 1 101 LEU QD 1 130 ILE H 1.800 . 5.000 3.509 3.218 3.805 . 0 0 "[ . 1 . 2]" 1
401 1 102 CYS QB 1 132 ILE H 1.800 . 5.000 3.772 3.139 4.270 . 0 0 "[ . 1 . 2]" 1
402 1 110 ASN QD 1 128 ARG H 1.800 . 5.000 3.475 2.288 5.007 0.007 20 0 "[ . 1 . 2]" 1
403 1 117 TRP HE1 1 124 LEU H 1.800 . 5.000 4.195 3.786 4.651 . 0 0 "[ . 1 . 2]" 1
404 1 132 ILE MG 1 137 GLU H 1.800 . 5.000 2.515 2.117 2.801 . 0 0 "[ . 1 . 2]" 1
405 1 132 ILE MD 1 137 GLU H 1.800 . 5.000 4.836 4.346 5.018 0.018 8 0 "[ . 1 . 2]" 1
406 1 30 MET H 1 114 LEU MD2 1.800 . 5.000 4.294 3.825 4.653 . 0 0 "[ . 1 . 2]" 1
407 1 31 GLN H 1 114 LEU MD2 1.800 . 5.000 2.744 2.480 3.075 . 0 0 "[ . 1 . 2]" 1
408 1 31 GLN H 1 114 LEU MD1 1.800 . 5.000 4.102 3.579 5.019 0.019 20 0 "[ . 1 . 2]" 1
409 1 32 ASP H 1 114 LEU MD2 1.800 . 5.000 4.711 4.536 5.032 0.032 6 0 "[ . 1 . 2]" 1
410 1 45 PHE H 1 105 LEU QD 1.800 . 5.000 3.788 3.393 4.101 . 0 0 "[ . 1 . 2]" 1
411 1 45 PHE H 1 111 MET ME 1.800 . 5.000 3.058 2.236 4.101 . 0 0 "[ . 1 . 2]" 1
412 1 46 ASP H 1 49 HIS QB 1.800 . 5.000 2.326 1.745 3.458 0.055 4 0 "[ . 1 . 2]" 1
413 1 51 ARG H 1 132 ILE MG 1.800 . 5.000 4.813 4.578 5.033 0.033 9 0 "[ . 1 . 2]" 1
414 1 64 GLU H 1 85 LEU MD1 1.800 . 5.000 4.689 3.532 5.073 0.073 6 0 "[ . 1 . 2]" 1
415 1 64 GLU H 1 85 LEU MD2 1.800 . 5.000 4.547 3.977 5.038 0.038 10 0 "[ . 1 . 2]" 1
416 1 65 LEU H 1 85 LEU HG 1.800 . 5.000 4.130 3.520 5.014 0.014 2 0 "[ . 1 . 2]" 1
417 1 65 LEU H 1 85 LEU MD1 1.800 . 5.000 3.649 2.689 4.517 . 0 0 "[ . 1 . 2]" 1
418 1 65 LEU H 1 85 LEU MD2 1.800 . 5.000 3.489 2.564 4.534 . 0 0 "[ . 1 . 2]" 1
419 1 66 ASP H 1 69 LYS QB 1.800 . 5.000 4.848 4.122 5.053 0.053 15 0 "[ . 1 . 2]" 1
420 1 99 GLY H 1 133 ASN QB 1.800 . 5.000 3.936 3.091 5.006 0.006 11 0 "[ . 1 . 2]" 1
421 1 99 GLY H 1 139 VAL QG 1.800 . 5.000 3.953 3.313 4.778 . 0 0 "[ . 1 . 2]" 1
422 1 100 PHE H 1 139 VAL QG 1.800 . 5.000 4.234 3.778 4.597 . 0 0 "[ . 1 . 2]" 1
423 1 102 CYS H 1 129 LEU QB 1.800 . 5.000 4.170 3.622 4.593 . 0 0 "[ . 1 . 2]" 1
424 1 102 CYS H 1 132 ILE HB 1.800 . 5.000 3.826 3.296 4.086 . 0 0 "[ . 1 . 2]" 1
425 1 102 CYS H 1 132 ILE MD 1.800 . 5.000 3.842 3.528 4.177 . 0 0 "[ . 1 . 2]" 1
426 1 111 MET H 1 114 LEU QD 1.800 . 5.000 4.775 4.109 5.006 0.006 18 0 "[ . 1 . 2]" 1
427 1 113 PHE H 1 127 LEU QD 1.800 . 5.000 3.979 3.593 4.553 . 0 0 "[ . 1 . 2]" 1
428 1 114 LEU H 1 127 LEU QD 1.800 . 5.000 2.887 2.424 3.556 . 0 0 "[ . 1 . 2]" 1
429 1 118 ASN H 1 123 LEU QD 1.800 . 5.000 2.346 1.749 2.997 0.051 16 0 "[ . 1 . 2]" 1
430 1 120 THR H 1 123 LEU QD 1.800 . 5.000 3.486 2.865 4.238 . 0 0 "[ . 1 . 2]" 1
431 1 123 LEU H 1 126 THR MG 1.800 . 5.000 4.944 4.651 5.050 0.050 17 0 "[ . 1 . 2]" 1
432 1 124 LEU H 1 126 THR MG 1.800 . 5.000 5.023 4.997 5.044 0.044 20 0 "[ . 1 . 2]" 1
433 1 132 ILE H 1 139 VAL QG 1.800 . 5.000 3.856 3.589 4.072 . 0 0 "[ . 1 . 2]" 1
434 1 133 ASN H 1 139 VAL QG 1.800 . 5.000 2.509 1.988 2.811 . 0 0 "[ . 1 . 2]" 1
435 1 137 GLU H 1 139 VAL QG 1.800 . 5.000 4.864 4.172 5.082 0.082 14 0 "[ . 1 . 2]" 1
436 1 131 ARG H 1 138 GLN QE 1.800 . 5.000 4.419 2.753 5.031 0.031 2 0 "[ . 1 . 2]" 1
437 1 102 CYS H 1 129 LEU QD 1.800 . 5.000 4.288 3.929 4.556 . 0 0 "[ . 1 . 2]" 1
438 1 21 VAL MG1 1 25 ALA HA 1.800 . 5.000 4.368 3.545 5.075 0.075 11 0 "[ . 1 . 2]" 1
439 1 24 LEU HA 1 26 ARG QB 1.800 . 5.000 4.631 4.136 5.146 0.146 2 0 "[ . 1 . 2]" 1
440 1 24 LEU HA 1 124 LEU MD1 1.800 . 5.000 3.775 2.982 4.524 . 0 0 "[ . 1 . 2]" 1
441 1 24 LEU HA 1 124 LEU MD2 1.800 . 5.000 4.101 3.043 5.005 0.005 20 0 "[ . 1 . 2]" 1
442 1 24 LEU MD2 1 121 PHE HA 1.800 . 5.000 3.618 1.982 5.012 0.012 17 0 "[ . 1 . 2]" 1
443 1 24 LEU MD1 1 121 PHE HA 1.800 . 5.000 4.208 2.883 5.016 0.016 8 0 "[ . 1 . 2]" 1
444 1 27 VAL HA 1 103 PRO QG 1.800 . 5.000 3.621 2.872 4.218 . 0 0 "[ . 1 . 2]" 1
445 1 27 VAL QG 1 102 CYS HA 1.800 . 5.000 4.430 3.252 5.019 0.019 5 0 "[ . 1 . 2]" 1
446 1 30 MET HA 1 34 VAL QG 1.800 . 5.000 3.511 2.925 3.812 . 0 0 "[ . 1 . 2]" 1
447 1 30 MET HA 1 111 MET ME 1.800 . 5.000 5.051 5.013 5.086 0.086 6 0 "[ . 1 . 2]" 1
448 1 30 MET ME 1 54 ILE HA 1.800 . 5.000 4.534 4.031 4.934 . 0 0 "[ . 1 . 2]" 1
449 1 31 GLN HA 1 114 LEU MD2 1.800 . 5.000 2.258 1.985 2.978 . 0 0 "[ . 1 . 2]" 1
450 1 31 GLN HA 1 114 LEU MD1 1.800 . 5.000 4.527 2.970 4.852 . 0 0 "[ . 1 . 2]" 1
451 1 31 GLN QG 1 115 ARG HA 1.800 . 5.000 2.288 1.780 3.293 0.020 3 0 "[ . 1 . 2]" 1
452 1 33 VAL HA 1 38 THR HB 1.800 . 5.000 3.026 2.393 3.924 . 0 0 "[ . 1 . 2]" 1
453 1 34 VAL HA 1 39 PHE QB 1.800 . 5.000 3.427 2.790 4.417 . 0 0 "[ . 1 . 2]" 1
454 1 35 ASN HA 1 40 LYS QB 1.800 . 5.000 4.373 3.632 5.048 0.048 3 0 "[ . 1 . 2]" 1
455 1 35 ASN QD 1 115 ARG HA 1.800 . 5.000 3.313 1.859 5.028 0.028 17 0 "[ . 1 . 2]" 1
456 1 44 ILE HA 1 111 MET QG 1.800 . 5.000 3.203 2.477 4.777 . 0 0 "[ . 1 . 2]" 1
457 1 44 ILE HA 1 111 MET ME 1.800 . 5.000 3.154 2.278 4.451 . 0 0 "[ . 1 . 2]" 1
458 1 44 ILE HB 1 106 SER HA 1.800 . 5.000 4.469 4.008 4.924 . 0 0 "[ . 1 . 2]" 1
459 1 44 ILE QG 1 106 SER HA 1.800 . 5.000 4.939 4.596 5.068 0.068 20 0 "[ . 1 . 2]" 1
460 1 44 ILE MG 1 106 SER HA 1.800 . 5.000 2.151 1.872 2.415 . 0 0 "[ . 1 . 2]" 1
461 1 44 ILE MG 1 107 ASP HA 1.800 . 5.000 4.053 3.405 4.729 . 0 0 "[ . 1 . 2]" 1
462 1 44 ILE MG 1 108 ALA HA 1.800 . 5.000 3.358 2.544 4.092 . 0 0 "[ . 1 . 2]" 1
463 1 44 ILE MD 1 108 ALA HA 1.800 . 5.000 1.829 1.771 1.943 0.029 11 0 "[ . 1 . 2]" 1
464 1 44 ILE MD 1 111 MET HA 1.800 . 5.000 4.779 4.443 5.061 0.061 10 0 "[ . 1 . 2]" 1
465 1 47 HIS HA 1 132 ILE MG 1.800 . 5.000 4.924 4.540 5.060 0.060 6 0 "[ . 1 . 2]" 1
466 1 47 HIS HA 1 132 ILE MD 1.800 . 5.000 4.284 3.659 4.721 . 0 0 "[ . 1 . 2]" 1
467 1 48 ALA HA 1 52 GLU QB 1.800 . 5.000 4.986 4.607 5.137 0.137 7 0 "[ . 1 . 2]" 1
468 1 50 THR MG 1 54 ILE HA 1.800 . 5.000 5.057 4.966 5.093 0.093 11 0 "[ . 1 . 2]" 1
469 1 50 THR MG 1 135 LYS HA 1.800 . 5.000 5.018 4.718 5.065 0.065 19 0 "[ . 1 . 2]" 1
470 1 51 ARG QB 1 135 LYS HA 1.800 . 5.000 2.253 1.773 3.992 0.027 15 0 "[ . 1 . 2]" 1
471 1 51 ARG QB 1 136 GLY QA 1.800 . 5.000 3.470 2.281 4.455 . 0 0 "[ . 1 . 2]" 1
472 1 58 ILE MG 1 93 LEU HA 1.800 . 5.000 4.088 2.934 4.883 . 0 0 "[ . 1 . 2]" 1
473 1 58 ILE MD 1 93 LEU HA 1.800 . 5.000 3.285 2.397 3.896 . 0 0 "[ . 1 . 2]" 1
474 1 61 ASP HA 1 85 LEU MD1 1.800 . 5.000 3.960 3.204 4.730 . 0 0 "[ . 1 . 2]" 1
475 1 61 ASP HA 1 85 LEU MD2 1.800 . 5.000 4.485 3.847 5.022 0.022 20 0 "[ . 1 . 2]" 1
476 1 65 LEU HA 1 85 LEU QD 1.800 . 5.000 2.689 1.787 3.856 0.013 6 0 "[ . 1 . 2]" 1
477 1 65 LEU MD1 1 82 GLN HA 1.800 . 5.000 2.935 2.316 3.389 . 0 0 "[ . 1 . 2]" 1
478 1 65 LEU MD2 1 86 GLN HA 1.800 . 5.000 3.748 1.916 4.841 . 0 0 "[ . 1 . 2]" 1
479 1 68 LEU HA 1 78 PRO QD 1.800 . 5.000 4.192 3.439 5.022 0.022 11 0 "[ . 1 . 2]" 1
480 1 68 LEU MD2 1 82 GLN HA 1.800 . 5.000 4.107 2.506 4.724 . 0 0 "[ . 1 . 2]" 1
481 1 68 LEU MD1 1 82 GLN HA 1.800 . 5.000 2.194 1.777 4.540 0.023 4 0 "[ . 1 . 2]" 1
482 1 95 GLU QG 1 100 PHE HA 1.800 . 5.000 3.428 2.268 5.008 0.008 15 0 "[ . 1 . 2]" 1
483 1 96 PHE QD 1 134 ASP HA 1.800 . 5.000 3.907 2.596 5.047 0.047 6 0 "[ . 1 . 2]" 1
484 1 98 ALA HA 1 139 VAL QG 1.800 . 5.000 4.482 3.812 5.019 0.019 10 0 "[ . 1 . 2]" 1
485 1 99 GLY QA 1 139 VAL QG 1.800 . 5.000 2.159 1.850 2.659 . 0 0 "[ . 1 . 2]" 1
486 1 101 LEU MD1 1 129 LEU HA 1.800 . 5.000 3.932 3.694 4.337 . 0 0 "[ . 1 . 2]" 1
487 1 101 LEU MD1 1 130 ILE HA 1.800 . 5.000 3.286 2.982 3.524 . 0 0 "[ . 1 . 2]" 1
488 1 101 LEU MD1 1 131 ARG HA 1.800 . 5.000 3.535 2.955 3.916 . 0 0 "[ . 1 . 2]" 1
489 1 103 PRO HA 1 129 LEU QD 1.800 . 5.000 2.503 1.945 3.432 . 0 0 "[ . 1 . 2]" 1
490 1 104 ASP HA 1 130 ILE QG 1.800 . 5.000 3.546 2.892 4.158 . 0 0 "[ . 1 . 2]" 1
491 1 104 ASP HA 1 130 ILE MG 1.800 . 5.000 4.830 4.048 5.031 0.031 7 0 "[ . 1 . 2]" 1
492 1 104 ASP HA 1 130 ILE MD 1.800 . 5.000 2.838 2.163 3.618 . 0 0 "[ . 1 . 2]" 1
493 1 104 ASP HA 1 132 ILE MD 1.800 . 5.000 2.926 2.220 3.544 . 0 0 "[ . 1 . 2]" 1
494 1 113 PHE QD 1 127 LEU HA 1.800 . 5.000 3.853 2.810 5.004 0.004 6 0 "[ . 1 . 2]" 1
495 1 114 LEU HA 1 127 LEU HG 1.800 . 5.000 4.689 3.513 5.023 0.023 6 0 "[ . 1 . 2]" 1
496 1 114 LEU HA 1 127 LEU MD2 1.800 . 5.000 2.884 2.260 4.692 . 0 0 "[ . 1 . 2]" 1
497 1 114 LEU HA 1 127 LEU MD1 1.800 . 5.000 3.055 2.131 3.497 . 0 0 "[ . 1 . 2]" 1
498 1 120 THR MG 1 123 LEU HA 1.800 . 5.000 4.183 3.606 5.101 0.101 14 0 "[ . 1 . 2]" 1
499 1 123 LEU MD2 1 126 THR HA 1.800 . 5.000 5.034 5.008 5.058 0.058 18 0 "[ . 1 . 2]" 1
500 1 127 LEU HA 1 129 LEU MD1 1.800 . 5.000 4.778 3.893 5.073 0.073 7 0 "[ . 1 . 2]" 1
501 1 130 ILE MD 1 132 ILE HA 1.800 . 5.000 4.420 3.943 4.872 . 0 0 "[ . 1 . 2]" 1
502 1 130 ILE MD 1 138 GLN HA 1.800 . 5.000 3.374 2.588 3.941 . 0 0 "[ . 1 . 2]" 1
503 1 131 ARG HA 1 139 VAL QG 1.800 . 5.000 4.199 3.996 4.416 . 0 0 "[ . 1 . 2]" 1
504 1 132 ILE HA 1 139 VAL QG 1.800 . 5.000 2.713 2.563 2.929 . 0 0 "[ . 1 . 2]" 1
505 1 132 ILE MG 1 136 GLY QA 1.800 . 5.000 1.882 1.739 2.158 0.061 1 0 "[ . 1 . 2]" 1
506 1 132 ILE MG 1 138 GLN HA 1.800 . 5.000 4.113 3.302 4.762 . 0 0 "[ . 1 . 2]" 1
507 1 133 ASN HA 1 139 VAL QG 1.800 . 5.000 3.474 2.838 3.924 . 0 0 "[ . 1 . 2]" 1
508 1 138 GLN QG 1 140 VAL HA 1.800 . 5.000 3.999 3.512 5.002 0.002 8 0 "[ . 1 . 2]" 1
509 1 65 LEU QD 1 86 GLN HA 1.800 . 5.000 3.467 1.893 4.405 . 0 0 "[ . 1 . 2]" 1
510 1 65 LEU QD 1 82 GLN HA 1.800 . 5.000 2.912 2.308 3.367 . 0 0 "[ . 1 . 2]" 1
511 1 24 LEU QD 1 121 PHE HA 1.800 . 5.000 3.293 1.949 4.204 . 0 0 "[ . 1 . 2]" 1
512 1 21 VAL QG 1 24 LEU QB 1.800 . 5.000 3.445 2.088 5.000 0.000 17 0 "[ . 1 . 2]" 1
513 1 24 LEU QB 1 27 VAL QG 1.800 . 5.000 4.080 3.662 4.670 . 0 0 "[ . 1 . 2]" 1
514 1 24 LEU QB 1 117 TRP HE1 1.800 . 5.000 5.028 5.004 5.063 0.063 8 0 "[ . 1 . 2]" 1
515 1 24 LEU QB 1 117 TRP HH2 1.800 . 5.000 2.284 1.830 3.383 . 0 0 "[ . 1 . 2]" 1
516 1 24 LEU HG 1 124 LEU HG 1.800 . 5.000 4.531 3.230 5.008 0.008 5 0 "[ . 1 . 2]" 1
517 1 24 LEU HG 1 124 LEU QD 1.800 . 5.000 3.107 1.824 4.517 . 0 0 "[ . 1 . 2]" 1
518 1 24 LEU QD 1 117 TRP HE1 1.800 . 5.000 3.829 2.939 4.824 . 0 0 "[ . 1 . 2]" 1
519 1 24 LEU MD2 1 117 TRP HZ2 1.800 . 5.000 2.433 1.783 4.459 0.017 10 0 "[ . 1 . 2]" 1
520 1 24 LEU MD1 1 117 TRP HZ2 1.800 . 5.000 3.487 2.429 4.628 . 0 0 "[ . 1 . 2]" 1
521 1 24 LEU QD 1 117 TRP HH2 1.800 . 5.000 3.179 2.564 4.094 . 0 0 "[ . 1 . 2]" 1
522 1 24 LEU MD2 1 121 PHE QB 1.800 . 5.000 4.248 1.887 5.021 0.021 11 0 "[ . 1 . 2]" 1
523 1 24 LEU MD1 1 121 PHE QB 1.800 . 5.000 4.375 2.294 5.025 0.025 10 0 "[ . 1 . 2]" 1
524 1 24 LEU MD2 1 121 PHE QD 1.800 . 5.000 2.972 2.098 3.849 . 0 0 "[ . 1 . 2]" 1
525 1 24 LEU MD1 1 121 PHE QD 1.800 . 5.000 2.940 1.830 4.083 . 0 0 "[ . 1 . 2]" 1
526 1 24 LEU QD 1 124 LEU HG 1.800 . 5.000 3.008 1.908 4.242 . 0 0 "[ . 1 . 2]" 1
527 1 24 LEU MD2 1 124 LEU MD1 1.800 . 5.000 2.452 1.796 3.466 0.004 4 0 "[ . 1 . 2]" 1
528 1 24 LEU MD2 1 124 LEU MD2 1.800 . 5.000 2.999 2.016 4.433 . 0 0 "[ . 1 . 2]" 1
529 1 24 LEU MD1 1 124 LEU MD1 1.800 . 5.000 3.333 1.907 4.576 . 0 0 "[ . 1 . 2]" 1
530 1 24 LEU MD1 1 124 LEU MD2 1.800 . 5.000 3.607 2.356 4.571 . 0 0 "[ . 1 . 2]" 1
531 1 25 ALA MB 1 28 LYS QB 1.800 . 5.000 3.550 2.923 4.188 . 0 0 "[ . 1 . 2]" 1
532 1 27 VAL HB 1 117 TRP HZ2 1.800 . 5.000 4.563 3.954 5.019 0.019 11 0 "[ . 1 . 2]" 1
533 1 27 VAL HB 1 117 TRP HZ3 1.800 . 5.000 4.516 3.386 5.018 0.018 20 0 "[ . 1 . 2]" 1
534 1 27 VAL MG2 1 103 PRO QG 1.800 . 5.000 2.590 1.826 3.443 . 0 0 "[ . 1 . 2]" 1
535 1 27 VAL MG2 1 103 PRO QD 1.800 . 5.000 2.984 2.197 3.911 . 0 0 "[ . 1 . 2]" 1
536 1 27 VAL QG 1 114 LEU QD 1.800 . 5.000 2.356 1.830 2.776 . 0 0 "[ . 1 . 2]" 1
537 1 27 VAL MG1 1 117 TRP HE3 1.800 . 5.000 3.527 2.787 4.456 . 0 0 "[ . 1 . 2]" 1
538 1 27 VAL QG 1 123 LEU QD 1.800 . 5.000 4.383 3.855 5.007 0.007 18 0 "[ . 1 . 2]" 1
539 1 27 VAL QG 1 124 LEU MD1 1.800 . 5.000 3.316 2.354 4.094 . 0 0 "[ . 1 . 2]" 1
540 1 27 VAL QG 1 124 LEU MD2 1.800 . 5.000 3.091 2.105 4.102 . 0 0 "[ . 1 . 2]" 1
541 1 27 VAL QG 1 127 LEU MD2 1.800 . 5.000 3.578 3.113 4.005 . 0 0 "[ . 1 . 2]" 1
542 1 27 VAL QG 1 127 LEU MD1 1.800 . 5.000 2.357 2.044 2.586 . 0 0 "[ . 1 . 2]" 1
543 1 27 VAL QG 1 129 LEU HG 1.800 . 5.000 4.457 3.222 5.018 0.018 18 0 "[ . 1 . 2]" 1
544 1 27 VAL QG 1 129 LEU QD 1.800 . 5.000 2.575 1.843 2.965 . 0 0 "[ . 1 . 2]" 1
545 1 29 PHE QD 1 33 VAL MG2 1.800 . 5.000 3.546 3.196 4.831 . 0 0 "[ . 1 . 2]" 1
546 1 29 PHE QE 1 33 VAL MG1 1.800 . 5.000 4.126 3.354 4.631 . 0 0 "[ . 1 . 2]" 1
547 1 29 PHE QE 1 33 VAL MG2 1.800 . 5.000 2.994 2.747 3.818 . 0 0 "[ . 1 . 2]" 1
548 1 29 PHE HZ 1 33 VAL MG1 1.800 . 5.000 4.431 3.944 4.834 . 0 0 "[ . 1 . 2]" 1
549 1 29 PHE HZ 1 33 VAL MG2 1.800 . 5.000 3.061 2.679 3.760 . 0 0 "[ . 1 . 2]" 1
550 1 29 PHE HZ 1 38 THR MG 1.800 . 5.000 4.984 4.349 5.060 0.060 19 0 "[ . 1 . 2]" 1
551 1 29 PHE HZ 1 53 PHE QD 1.800 . 5.000 3.662 2.756 4.968 . 0 0 "[ . 1 . 2]" 1
552 1 29 PHE HZ 1 53 PHE HZ 1.800 . 5.000 5.027 5.001 5.045 0.045 11 0 "[ . 1 . 2]" 1
553 1 30 MET QB 1 105 LEU QD 1.800 . 5.000 2.994 2.453 3.619 . 0 0 "[ . 1 . 2]" 1
554 1 30 MET QB 1 114 LEU MD2 1.800 . 5.000 2.036 1.749 2.866 0.051 6 0 "[ . 1 . 2]" 1
555 1 30 MET QB 1 114 LEU MD1 1.800 . 5.000 2.299 1.980 3.860 . 0 0 "[ . 1 . 2]" 1
556 1 30 MET QG 1 103 PRO QD 1.800 . 5.000 4.691 4.404 5.015 0.015 13 0 "[ . 1 . 2]" 1
557 1 30 MET QG 1 105 LEU MD1 1.800 . 5.000 3.157 2.557 3.868 . 0 0 "[ . 1 . 2]" 1
558 1 30 MET ME 1 50 THR MG 1.800 . 5.000 3.287 2.553 3.654 . 0 0 "[ . 1 . 2]" 1
559 1 30 MET ME 1 53 PHE QB 1.800 . 5.000 3.177 2.680 3.792 . 0 0 "[ . 1 . 2]" 1
560 1 30 MET ME 1 53 PHE QD 1.800 . 5.000 3.754 2.809 4.610 . 0 0 "[ . 1 . 2]" 1
561 1 30 MET ME 1 54 ILE QG 1.800 . 5.000 3.281 2.785 3.566 . 0 0 "[ . 1 . 2]" 1
562 1 30 MET ME 1 54 ILE MG 1.800 . 5.000 4.879 4.511 5.053 0.053 14 0 "[ . 1 . 2]" 1
563 1 30 MET ME 1 54 ILE MD 1.800 . 5.000 2.709 1.940 4.097 . 0 0 "[ . 1 . 2]" 1
564 1 30 MET ME 1 103 PRO QD 1.800 . 5.000 2.234 1.812 2.529 . 0 0 "[ . 1 . 2]" 1
565 1 30 MET ME 1 105 LEU MD2 1.800 . 5.000 2.667 1.966 3.042 . 0 0 "[ . 1 . 2]" 1
566 1 30 MET ME 1 105 LEU MD1 1.800 . 5.000 2.467 1.908 2.864 . 0 0 "[ . 1 . 2]" 1
567 1 30 MET ME 1 111 MET ME 1.800 . 5.000 5.016 4.930 5.038 0.038 20 0 "[ . 1 . 2]" 1
568 1 30 MET ME 1 114 LEU QD 1.800 . 5.000 3.793 3.592 4.418 . 0 0 "[ . 1 . 2]" 1
569 1 30 MET ME 1 129 LEU QD 1.800 . 5.000 4.968 4.745 5.045 0.045 19 0 "[ . 1 . 2]" 1
570 1 31 GLN QB 1 35 ASN QB 1.800 . 5.000 4.930 4.424 5.100 0.100 4 0 "[ . 1 . 2]" 1
571 1 31 GLN QB 1 114 LEU HG 1.800 . 5.000 3.519 2.728 5.002 0.002 9 0 "[ . 1 . 2]" 1
572 1 31 GLN QB 1 114 LEU QD 1.800 . 5.000 2.781 2.245 3.238 . 0 0 "[ . 1 . 2]" 1
573 1 31 GLN QB 1 117 TRP HE3 1.800 . 5.000 3.361 2.706 3.874 . 0 0 "[ . 1 . 2]" 1
574 1 31 GLN QG 1 35 ASN QB 1.800 . 5.000 3.500 2.743 4.568 . 0 0 "[ . 1 . 2]" 1
575 1 31 GLN QG 1 35 ASN QD 1.800 . 5.000 2.659 1.955 4.484 . 0 0 "[ . 1 . 2]" 1
576 1 31 GLN QG 1 114 LEU QD 1.800 . 5.000 3.295 2.864 3.916 . 0 0 "[ . 1 . 2]" 1
577 1 33 VAL MG2 1 39 PHE QD 1.800 . 5.000 3.347 1.799 4.042 0.001 13 0 "[ . 1 . 2]" 1
578 1 33 VAL MG1 1 53 PHE QD 1.800 . 5.000 4.324 3.492 4.806 . 0 0 "[ . 1 . 2]" 1
579 1 33 VAL MG1 1 53 PHE QE 1.800 . 5.000 2.935 2.038 3.635 . 0 0 "[ . 1 . 2]" 1
580 1 33 VAL MG1 1 53 PHE HZ 1.800 . 5.000 2.560 1.784 3.723 0.016 11 0 "[ . 1 . 2]" 1
581 1 34 VAL HB 1 111 MET ME 1.800 . 5.000 4.484 3.625 5.019 0.019 5 0 "[ . 1 . 2]" 1
582 1 34 VAL QG 1 45 PHE QD 1.800 . 5.000 3.213 2.704 3.570 . 0 0 "[ . 1 . 2]" 1
583 1 34 VAL QG 1 45 PHE QE 1.800 . 5.000 1.875 1.783 2.401 0.017 3 0 "[ . 1 . 2]" 1
584 1 34 VAL QG 1 53 PHE QE 1.800 . 5.000 4.591 3.547 5.014 0.014 5 0 "[ . 1 . 2]" 1
585 1 34 VAL QG 1 105 LEU QD 1.800 . 5.000 3.691 3.254 4.021 . 0 0 "[ . 1 . 2]" 1
586 1 34 VAL MG2 1 111 MET ME 1.800 . 5.000 2.652 2.128 3.669 . 0 0 "[ . 1 . 2]" 1
587 1 34 VAL MG1 1 111 MET ME 1.800 . 5.000 3.314 2.258 4.077 . 0 0 "[ . 1 . 2]" 1
588 1 34 VAL QG 1 114 LEU QB 1.800 . 5.000 4.038 3.128 4.377 . 0 0 "[ . 1 . 2]" 1
589 1 34 VAL QG 1 114 LEU HG 1.800 . 5.000 4.988 4.679 5.086 0.086 10 0 "[ . 1 . 2]" 1
590 1 34 VAL QG 1 114 LEU MD2 1.800 . 5.000 2.709 2.284 4.343 . 0 0 "[ . 1 . 2]" 1
591 1 38 THR MG 1 53 PHE HZ 1.800 . 5.000 4.623 3.987 5.023 0.023 9 0 "[ . 1 . 2]" 1
592 1 42 GLN QB 1 45 PHE QE 1.800 . 5.000 3.102 2.413 3.775 . 0 0 "[ . 1 . 2]" 1
593 1 43 PRO QB 1 108 ALA MB 1.800 . 5.000 4.807 4.300 5.021 0.021 12 0 "[ . 1 . 2]" 1
594 1 44 ILE QG 1 111 MET QG 1.800 . 5.000 4.073 1.835 5.016 0.016 8 0 "[ . 1 . 2]" 1
595 1 44 ILE MG 1 105 LEU MD1 1.800 . 5.000 4.887 4.307 5.134 0.134 17 0 "[ . 1 . 2]" 1
596 1 44 ILE MG 1 108 ALA MB 1.800 . 5.000 3.661 3.006 4.566 . 0 0 "[ . 1 . 2]" 1
597 1 44 ILE MG 1 111 MET QB 1.800 . 5.000 3.448 2.343 4.439 . 0 0 "[ . 1 . 2]" 1
598 1 44 ILE MG 1 111 MET QG 1.800 . 5.000 3.207 2.059 4.890 . 0 0 "[ . 1 . 2]" 1
599 1 44 ILE MG 1 111 MET ME 1.800 . 5.000 3.487 2.581 4.155 . 0 0 "[ . 1 . 2]" 1
600 1 44 ILE MD 1 108 ALA MB 1.800 . 5.000 2.295 2.053 2.617 . 0 0 "[ . 1 . 2]" 1
601 1 44 ILE MD 1 111 MET QG 1.800 . 5.000 2.507 1.800 3.631 . 9 0 "[ . 1 . 2]" 1
602 1 44 ILE MD 1 111 MET ME 1.800 . 5.000 3.583 3.214 4.354 . 0 0 "[ . 1 . 2]" 1
603 1 45 PHE QD 1 105 LEU QD 1.800 . 5.000 2.659 2.052 3.414 . 0 0 "[ . 1 . 2]" 1
604 1 47 HIS QB 1 132 ILE MG 1.800 . 5.000 4.326 3.420 4.700 . 0 0 "[ . 1 . 2]" 1
605 1 47 HIS QB 1 132 ILE MD 1.800 . 5.000 4.395 3.401 5.017 0.017 3 0 "[ . 1 . 2]" 1
606 1 47 HIS HE1 1 130 ILE MD 1.800 . 5.000 3.921 2.186 4.998 . 0 0 "[ . 1 . 2]" 1
607 1 48 ALA MB 1 52 GLU QB 1.800 . 5.000 4.416 4.119 4.683 . 0 0 "[ . 1 . 2]" 1
608 1 50 THR HB 1 54 ILE QG 1.800 . 5.000 4.494 4.343 4.740 . 0 0 "[ . 1 . 2]" 1
609 1 50 THR HB 1 105 LEU QD 1.800 . 5.000 4.055 3.733 4.573 . 0 0 "[ . 1 . 2]" 1
610 1 50 THR HB 1 132 ILE MD 1.800 . 5.000 3.858 3.314 4.402 . 0 0 "[ . 1 . 2]" 1
611 1 50 THR MG 1 54 ILE MG 1.800 . 5.000 3.958 3.634 4.253 . 0 0 "[ . 1 . 2]" 1
612 1 50 THR MG 1 102 CYS QB 1.800 . 5.000 3.098 2.326 3.683 . 0 0 "[ . 1 . 2]" 1
613 1 50 THR MG 1 105 LEU MD2 1.800 . 5.000 4.182 3.085 4.913 . 0 0 "[ . 1 . 2]" 1
614 1 50 THR MG 1 105 LEU MD1 1.800 . 5.000 3.875 2.692 4.938 . 0 0 "[ . 1 . 2]" 1
615 1 50 THR MG 1 132 ILE MD 1.800 . 5.000 2.034 1.781 2.661 0.019 15 0 "[ . 1 . 2]" 1
616 1 51 ARG QB 1 132 ILE MG 1.800 . 5.000 4.702 4.173 5.047 0.047 13 0 "[ . 1 . 2]" 1
617 1 51 ARG QB 1 135 LYS QG 1.800 . 5.000 3.823 2.541 4.818 . 0 0 "[ . 1 . 2]" 1
618 1 53 PHE QD 1 105 LEU QD 1.800 . 5.000 3.202 2.347 4.220 . 0 0 "[ . 1 . 2]" 1
619 1 53 PHE QE 1 105 LEU QD 1.800 . 5.000 3.962 2.861 5.009 0.009 10 0 "[ . 1 . 2]" 1
620 1 54 ILE QG 1 100 PHE QB 1.800 . 5.000 4.700 3.897 5.034 0.034 8 0 "[ . 1 . 2]" 1
621 1 54 ILE QG 1 100 PHE QD 1.800 . 5.000 4.377 3.449 5.012 0.012 9 0 "[ . 1 . 2]" 1
622 1 54 ILE QG 1 102 CYS QB 1.800 . 5.000 3.585 2.817 3.922 . 0 0 "[ . 1 . 2]" 1
623 1 54 ILE QG 1 103 PRO QD 1.800 . 5.000 4.880 4.156 5.064 0.064 6 0 "[ . 1 . 2]" 1
624 1 54 ILE MG 1 100 PHE QB 1.800 . 5.000 3.723 2.899 4.554 . 0 0 "[ . 1 . 2]" 1
625 1 54 ILE MG 1 100 PHE QD 1.800 . 5.000 3.751 2.333 4.819 . 0 0 "[ . 1 . 2]" 1
626 1 54 ILE MG 1 102 CYS QB 1.800 . 5.000 4.699 3.713 5.044 0.044 12 0 "[ . 1 . 2]" 1
627 1 54 ILE MD 1 58 ILE MD 1.800 . 5.000 4.722 4.351 4.999 . 0 0 "[ . 1 . 2]" 1
628 1 54 ILE MD 1 100 PHE QD 1.800 . 5.000 3.580 2.029 4.719 . 0 0 "[ . 1 . 2]" 1
629 1 55 GLN QE 1 58 ILE QG 1.800 . 5.000 4.575 3.696 5.049 0.049 8 0 "[ . 1 . 2]" 1
630 1 58 ILE MG 1 93 LEU HG 1.800 . 5.000 3.557 2.592 5.028 0.028 10 0 "[ . 1 . 2]" 1
631 1 58 ILE MG 1 93 LEU MD1 1.800 . 5.000 3.270 2.309 4.120 . 0 0 "[ . 1 . 2]" 1
632 1 58 ILE MG 1 93 LEU MD2 1.800 . 5.000 2.394 1.797 4.088 0.003 15 0 "[ . 1 . 2]" 1
633 1 58 ILE MD 1 93 LEU MD2 1.800 . 5.000 2.587 1.865 4.730 . 0 0 "[ . 1 . 2]" 1
634 1 58 ILE MD 1 96 PHE QB 1.800 . 5.000 2.981 2.133 3.873 . 0 0 "[ . 1 . 2]" 1
635 1 58 ILE MD 1 96 PHE QD 1.800 . 5.000 3.152 2.333 4.014 . 0 0 "[ . 1 . 2]" 1
636 1 61 ASP QB 1 65 LEU MD2 1.800 . 5.000 5.006 4.714 5.075 0.075 9 0 "[ . 1 . 2]" 1
637 1 61 ASP QB 1 85 LEU MD1 1.800 . 5.000 3.339 2.056 4.291 . 0 0 "[ . 1 . 2]" 1
638 1 61 ASP QB 1 85 LEU MD2 1.800 . 5.000 4.375 3.048 5.063 0.063 17 0 "[ . 1 . 2]" 1
639 1 63 THR MG 1 67 GLU QG 1.800 . 5.000 3.853 3.231 4.769 . 0 0 "[ . 1 . 2]" 1
640 1 64 GLU QB 1 85 LEU HG 1.800 . 5.000 4.036 2.688 4.766 . 0 0 "[ . 1 . 2]" 1
641 1 64 GLU QB 1 85 LEU MD2 1.800 . 5.000 2.533 2.053 3.062 . 0 0 "[ . 1 . 2]" 1
642 1 65 LEU QB 1 85 LEU QB 1.800 . 5.000 3.938 3.510 4.720 . 0 0 "[ . 1 . 2]" 1
643 1 65 LEU MD1 1 69 LYS QE 1.800 . 5.000 3.750 2.070 5.039 0.039 13 0 "[ . 1 . 2]" 1
644 1 65 LEU MD2 1 69 LYS QE 1.800 . 5.000 3.185 2.356 4.993 . 0 0 "[ . 1 . 2]" 1
645 1 65 LEU QD 1 82 GLN QG 1.800 . 5.000 2.083 1.782 3.162 0.018 12 0 "[ . 1 . 2]" 1
646 1 65 LEU MD1 1 85 LEU QB 1.800 . 5.000 2.438 1.793 3.252 0.007 20 0 "[ . 1 . 2]" 1
647 1 65 LEU MD2 1 85 LEU QB 1.800 . 5.000 3.970 2.078 4.897 . 0 0 "[ . 1 . 2]" 1
648 1 65 LEU MD1 1 86 GLN QB 1.800 . 5.000 3.548 2.239 4.715 . 0 0 "[ . 1 . 2]" 1
649 1 65 LEU MD2 1 86 GLN QB 1.800 . 5.000 3.560 2.454 4.830 . 0 0 "[ . 1 . 2]" 1
650 1 68 LEU QB 1 82 GLN QG 1.800 . 5.000 3.011 1.878 3.783 . 0 0 "[ . 1 . 2]" 1
651 1 68 LEU QB 1 85 LEU MD2 1.800 . 5.000 4.504 3.168 5.038 0.038 20 0 "[ . 1 . 2]" 1
652 1 68 LEU MD2 1 82 GLN QG 1.800 . 5.000 4.603 3.306 5.035 0.035 20 0 "[ . 1 . 2]" 1
653 1 68 LEU MD1 1 82 GLN QG 1.800 . 5.000 3.066 2.049 5.009 0.009 13 0 "[ . 1 . 2]" 1
654 1 68 LEU QD 1 85 LEU HG 1.800 . 5.000 3.099 2.054 4.568 . 0 0 "[ . 1 . 2]" 1
655 1 68 LEU QD 1 85 LEU QD 1.800 . 5.000 2.426 1.860 2.821 . 0 0 "[ . 1 . 2]" 1
656 1 69 LYS QG 1 82 GLN QG 1.800 . 5.000 4.310 3.458 5.009 0.009 5 0 "[ . 1 . 2]" 1
657 1 71 LYS QB 1 78 PRO QD 1.800 . 5.000 3.614 1.781 5.006 0.019 14 0 "[ . 1 . 2]" 1
658 1 72 ARG QB 1 77 PRO QD 1.800 . 5.000 4.569 2.432 5.055 0.055 11 0 "[ . 1 . 2]" 1
659 1 80 ASN QB 1 84 LEU QD 1.800 . 5.000 4.361 2.760 5.041 0.041 13 0 "[ . 1 . 2]" 1
660 1 80 ASN QD 1 84 LEU QD 1.800 . 5.000 4.011 2.663 5.041 0.041 15 0 "[ . 1 . 2]" 1
661 1 83 VAL HB 1 87 GLN QG 1.800 . 5.000 4.592 4.271 5.010 0.010 11 0 "[ . 1 . 2]" 1
662 1 83 VAL QG 1 87 GLN QG 1.800 . 5.000 2.494 2.143 3.323 . 0 0 "[ . 1 . 2]" 1
663 1 83 VAL QG 1 87 GLN QE 1.800 . 5.000 2.855 1.793 3.703 0.007 6 0 "[ . 1 . 2]" 1
664 1 84 LEU QB 1 87 GLN QB 1.800 . 5.000 4.497 3.688 4.813 . 0 0 "[ . 1 . 2]" 1
665 1 84 LEU MD1 1 87 GLN QB 1.800 . 5.000 3.218 2.526 5.084 0.084 14 0 "[ . 1 . 2]" 1
666 1 86 GLN QG 1 90 ASP QB 1.800 . 5.000 3.326 2.523 4.277 . 0 0 "[ . 1 . 2]" 1
667 1 91 GLN QG 1 94 LYS QB 1.800 . 5.000 3.699 3.218 4.362 . 0 0 "[ . 1 . 2]" 1
668 1 91 GLN QG 1 95 GLU QB 1.800 . 5.000 3.647 2.785 4.416 . 0 0 "[ . 1 . 2]" 1
669 1 93 LEU QD 1 96 PHE QB 1.800 . 5.000 3.188 2.727 3.755 . 0 0 "[ . 1 . 2]" 1
670 1 93 LEU QD 1 96 PHE QD 1.800 . 5.000 3.337 2.204 4.448 . 0 0 "[ . 1 . 2]" 1
671 1 95 GLU QG 1 100 PHE QD 1.800 . 5.000 2.478 1.833 4.159 . 0 0 "[ . 1 . 2]" 1
672 1 100 PHE QB 1 132 ILE MG 1.800 . 5.000 4.346 3.835 5.003 0.003 7 0 "[ . 1 . 2]" 1
673 1 100 PHE QD 1 102 CYS QB 1.800 . 5.000 3.717 2.195 4.627 . 0 0 "[ . 1 . 2]" 1
674 1 101 LEU HG 1 129 LEU QB 1.800 . 5.000 2.206 1.755 2.590 0.045 7 0 "[ . 1 . 2]" 1
675 1 101 LEU HG 1 129 LEU HG 1.800 . 5.000 4.658 3.329 5.027 0.027 1 0 "[ . 1 . 2]" 1
676 1 101 LEU QD 1 129 LEU QB 1.800 . 5.000 2.100 1.922 2.438 . 0 0 "[ . 1 . 2]" 1
677 1 101 LEU QD 1 129 LEU MD2 1.800 . 5.000 3.153 2.351 3.871 . 0 0 "[ . 1 . 2]" 1
678 1 101 LEU QD 1 131 ARG QG 1.800 . 5.000 3.267 2.704 4.336 . 0 0 "[ . 1 . 2]" 1
679 1 101 LEU QD 1 131 ARG QD 1.800 . 5.000 4.396 2.721 5.019 0.019 11 0 "[ . 1 . 2]" 1
680 1 103 PRO QB 1 114 LEU MD2 1.800 . 5.000 4.833 3.673 5.048 0.048 5 0 "[ . 1 . 2]" 1
681 1 103 PRO QB 1 114 LEU MD1 1.800 . 5.000 2.817 2.279 3.651 . 0 0 "[ . 1 . 2]" 1
682 1 103 PRO QB 1 127 LEU MD2 1.800 . 5.000 3.419 2.067 4.265 . 0 0 "[ . 1 . 2]" 1
683 1 103 PRO QB 1 127 LEU MD1 1.800 . 5.000 3.763 3.084 4.921 . 0 0 "[ . 1 . 2]" 1
684 1 103 PRO QB 1 129 LEU QD 1.800 . 5.000 2.396 1.824 2.981 . 0 0 "[ . 1 . 2]" 1
685 1 103 PRO QG 1 111 MET ME 1.800 . 5.000 4.959 4.471 5.036 0.036 9 0 "[ . 1 . 2]" 1
686 1 103 PRO QG 1 114 LEU HG 1.800 . 5.000 4.446 3.526 5.062 0.062 6 0 "[ . 1 . 2]" 1
687 1 103 PRO QG 1 114 LEU MD2 1.800 . 5.000 4.359 3.221 4.768 . 0 0 "[ . 1 . 2]" 1
688 1 103 PRO QG 1 114 LEU MD1 1.800 . 5.000 2.504 2.108 3.483 . 0 0 "[ . 1 . 2]" 1
689 1 103 PRO QG 1 127 LEU MD2 1.800 . 5.000 4.252 3.247 5.003 0.003 16 0 "[ . 1 . 2]" 1
690 1 103 PRO QG 1 127 LEU MD1 1.800 . 5.000 3.854 3.298 4.445 . 0 0 "[ . 1 . 2]" 1
691 1 103 PRO QG 1 129 LEU QD 1.800 . 5.000 2.694 2.037 3.308 . 0 0 "[ . 1 . 2]" 1
692 1 103 PRO QD 1 105 LEU QD 1.800 . 5.000 3.765 3.116 4.262 . 0 0 "[ . 1 . 2]" 1
693 1 103 PRO QD 1 129 LEU QD 1.800 . 5.000 2.577 2.168 2.908 . 0 0 "[ . 1 . 2]" 1
694 1 104 ASP QB 1 130 ILE MG 1.800 . 5.000 3.445 2.831 3.992 . 0 0 "[ . 1 . 2]" 1
695 1 104 ASP QB 1 130 ILE MD 1.800 . 5.000 2.533 2.053 3.375 . 0 0 "[ . 1 . 2]" 1
696 1 105 LEU MD2 1 111 MET ME 1.800 . 5.000 2.770 1.808 4.230 . 0 0 "[ . 1 . 2]" 1
697 1 105 LEU MD1 1 111 MET ME 1.800 . 5.000 2.918 1.793 4.157 0.007 14 0 "[ . 1 . 2]" 1
698 1 105 LEU QD 1 114 LEU HG 1.800 . 5.000 4.952 4.520 5.041 0.041 1 0 "[ . 1 . 2]" 1
699 1 105 LEU QD 1 114 LEU MD2 1.800 . 5.000 3.508 2.625 4.512 . 0 0 "[ . 1 . 2]" 1
700 1 107 ASP QB 1 110 ASN QB 1.800 . 5.000 2.089 1.780 2.423 0.020 20 0 "[ . 1 . 2]" 1
701 1 108 ALA MB 1 111 MET QB 1.800 . 5.000 3.788 3.476 4.315 . 0 0 "[ . 1 . 2]" 1
702 1 111 MET QB 1 114 LEU QD 1.800 . 5.000 3.773 3.377 4.117 . 0 0 "[ . 1 . 2]" 1
703 1 111 MET ME 1 114 LEU QD 1.800 . 5.000 2.338 1.752 2.881 0.048 10 0 "[ . 1 . 2]" 1
704 1 113 PHE QB 1 127 LEU QD 1.800 . 5.000 2.040 1.784 2.761 0.016 2 0 "[ . 1 . 2]" 1
705 1 113 PHE QD 1 126 THR HB 1.800 . 5.000 3.754 2.924 4.460 . 0 0 "[ . 1 . 2]" 1
706 1 113 PHE QD 1 126 THR MG 1.800 . 5.000 4.520 3.887 5.030 0.030 8 0 "[ . 1 . 2]" 1
707 1 113 PHE QD 1 127 LEU MD2 1.800 . 5.000 3.140 2.189 4.062 . 0 0 "[ . 1 . 2]" 1
708 1 113 PHE QD 1 127 LEU MD1 1.800 . 5.000 4.922 3.931 5.053 0.053 8 0 "[ . 1 . 2]" 1
709 1 114 LEU QD 1 127 LEU QD 1.800 . 5.000 2.851 1.785 3.334 0.015 20 0 "[ . 1 . 2]" 1
710 1 117 TRP HD1 1 123 LEU QB 1.800 . 5.000 2.179 1.785 2.612 0.015 9 0 "[ . 1 . 2]" 1
711 1 117 TRP HD1 1 123 LEU MD1 1.800 . 5.000 2.230 1.792 2.693 0.008 4 0 "[ . 1 . 2]" 1
712 1 117 TRP HE1 1 123 LEU MD1 1.800 . 5.000 3.893 3.349 4.703 . 0 0 "[ . 1 . 2]" 1
713 1 117 TRP HE1 1 124 LEU HG 1.800 . 5.000 3.746 2.501 5.020 0.020 11 0 "[ . 1 . 2]" 1
714 1 117 TRP HE1 1 124 LEU MD1 1.800 . 5.000 3.719 3.077 4.675 . 0 0 "[ . 1 . 2]" 1
715 1 117 TRP HE1 1 124 LEU MD2 1.800 . 5.000 2.356 1.854 3.293 . 0 0 "[ . 1 . 2]" 1
716 1 117 TRP HE1 1 127 LEU QD 1.800 . 5.000 3.763 3.106 4.534 . 0 0 "[ . 1 . 2]" 1
717 1 117 TRP HZ2 1 124 LEU MD1 1.800 . 5.000 3.817 3.038 4.744 . 0 0 "[ . 1 . 2]" 1
718 1 117 TRP HZ2 1 124 LEU MD2 1.800 . 5.000 3.041 2.144 4.221 . 0 0 "[ . 1 . 2]" 1
719 1 118 ASN QD 1 120 THR MG 1.800 . 5.000 4.536 3.660 5.037 0.037 13 0 "[ . 1 . 2]" 1
720 1 118 ASN QD 1 123 LEU QD 1.800 . 5.000 3.917 2.703 5.001 0.001 7 0 "[ . 1 . 2]" 1
721 1 121 PHE QB 1 124 LEU HG 1.800 . 5.000 4.662 3.828 5.045 0.045 3 0 "[ . 1 . 2]" 1
722 1 121 PHE QB 1 124 LEU QD 1.800 . 5.000 3.489 2.840 4.277 . 0 0 "[ . 1 . 2]" 1
723 1 121 PHE QD 1 124 LEU QD 1.800 . 5.000 3.094 2.185 4.762 . 0 0 "[ . 1 . 2]" 1
724 1 123 LEU QB 1 127 LEU QD 1.800 . 5.000 3.375 2.996 3.722 . 0 0 "[ . 1 . 2]" 1
725 1 123 LEU MD1 1 127 LEU HG 1.800 . 5.000 4.694 4.151 5.017 0.017 3 0 "[ . 1 . 2]" 1
726 1 124 LEU QB 1 127 LEU QD 1.800 . 5.000 4.064 3.443 4.624 . 0 0 "[ . 1 . 2]" 1
727 1 124 LEU HG 1 127 LEU QD 1.800 . 5.000 4.397 3.880 5.043 0.043 3 0 "[ . 1 . 2]" 1
728 1 124 LEU QD 1 127 LEU QB 1.800 . 5.000 3.188 2.485 3.797 . 0 0 "[ . 1 . 2]" 1
729 1 124 LEU QD 1 127 LEU HG 1.800 . 5.000 4.027 3.647 4.661 . 0 0 "[ . 1 . 2]" 1
730 1 124 LEU QD 1 127 LEU MD2 1.800 . 5.000 4.288 3.726 4.683 . 0 0 "[ . 1 . 2]" 1
731 1 124 LEU QD 1 127 LEU MD1 1.800 . 5.000 2.101 1.791 2.523 0.009 14 0 "[ . 1 . 2]" 1
732 1 127 LEU QB 1 129 LEU QD 1.800 . 5.000 2.209 1.836 2.475 . 0 0 "[ . 1 . 2]" 1
733 1 127 LEU MD1 1 129 LEU QB 1.800 . 5.000 4.965 4.776 5.060 0.060 11 0 "[ . 1 . 2]" 1
734 1 127 LEU MD2 1 129 LEU QD 1.800 . 5.000 3.352 1.965 4.037 . 0 0 "[ . 1 . 2]" 1
735 1 127 LEU MD1 1 129 LEU QD 1.800 . 5.000 2.403 2.114 2.668 . 0 0 "[ . 1 . 2]" 1
736 1 128 ARG QB 1 130 ILE MG 1.800 . 5.000 3.653 2.871 5.003 0.003 2 0 "[ . 1 . 2]" 1
737 1 128 ARG QG 1 130 ILE MG 1.800 . 5.000 3.889 2.169 5.049 0.049 19 0 "[ . 1 . 2]" 1
738 1 130 ILE HB 1 132 ILE QG 1.800 . 5.000 3.990 3.761 4.423 . 0 0 "[ . 1 . 2]" 1
739 1 130 ILE HB 1 138 GLN QE 1.800 . 5.000 3.296 1.985 4.196 . 0 0 "[ . 1 . 2]" 1
740 1 130 ILE MG 1 138 GLN QE 1.800 . 5.000 3.007 2.247 3.694 . 0 0 "[ . 1 . 2]" 1
741 1 130 ILE MD 1 138 GLN QB 1.800 . 5.000 3.366 2.197 4.488 . 0 0 "[ . 1 . 2]" 1
742 1 130 ILE MD 1 138 GLN QG 1.800 . 5.000 2.879 1.778 4.243 0.022 14 0 "[ . 1 . 2]" 1
743 1 130 ILE MD 1 138 GLN QE 1.800 . 5.000 2.737 1.796 3.934 0.004 3 0 "[ . 1 . 2]" 1
744 1 131 ARG QD 1 139 VAL MG1 1.800 . 5.000 3.317 1.886 5.015 0.015 15 0 "[ . 1 . 2]" 1
745 1 131 ARG QD 1 139 VAL MG2 1.800 . 5.000 4.209 2.779 5.059 0.059 3 0 "[ . 1 . 2]" 1
746 1 132 ILE HB 1 139 VAL MG2 1.800 . 5.000 5.019 4.946 5.065 0.065 11 0 "[ . 1 . 2]" 1
747 1 132 ILE QG 1 138 GLN QB 1.800 . 5.000 4.282 3.491 5.008 0.008 17 0 "[ . 1 . 2]" 1
748 1 133 ASN QB 1 139 VAL QG 1.800 . 5.000 2.069 1.751 3.627 0.049 17 0 "[ . 1 . 2]" 1
749 1 117 TRP HE1 1 123 LEU MD2 1.800 . 5.000 4.537 3.733 5.058 0.058 7 0 "[ . 1 . 2]" 1
750 1 27 VAL MG2 1 114 LEU MD2 1.800 . 5.000 4.885 3.730 5.057 0.057 10 0 "[ . 1 . 2]" 1
751 1 27 VAL MG2 1 114 LEU MD1 1.800 . 5.000 3.627 3.087 5.013 0.013 9 0 "[ . 1 . 2]" 1
752 1 27 VAL MG2 1 124 LEU MD1 1.800 . 5.000 3.474 2.414 4.343 . 0 0 "[ . 1 . 2]" 1
753 1 27 VAL MG2 1 124 LEU MD2 1.800 . 5.000 3.396 2.161 4.781 . 0 0 "[ . 1 . 2]" 1
754 1 27 VAL MG2 1 127 LEU MD2 1.800 . 5.000 4.615 3.709 5.025 0.025 18 0 "[ . 1 . 2]" 1
755 1 27 VAL MG2 1 127 LEU MD1 1.800 . 5.000 3.114 2.545 4.035 . 0 0 "[ . 1 . 2]" 1
756 1 27 VAL MG1 1 114 LEU MD2 1.800 . 5.000 3.309 1.926 3.720 . 0 0 "[ . 1 . 2]" 1
757 1 27 VAL MG1 1 114 LEU MD1 1.800 . 5.000 2.618 1.848 3.669 . 0 0 "[ . 1 . 2]" 1
758 1 27 VAL MG1 1 124 LEU MD1 1.800 . 5.000 4.266 2.764 5.059 0.059 2 0 "[ . 1 . 2]" 1
759 1 27 VAL MG1 1 124 LEU MD2 1.800 . 5.000 3.646 2.558 4.713 . 0 0 "[ . 1 . 2]" 1
760 1 27 VAL MG1 1 127 LEU MD2 1.800 . 5.000 3.734 3.238 4.211 . 0 0 "[ . 1 . 2]" 1
761 1 27 VAL MG1 1 127 LEU MD1 1.800 . 5.000 2.451 2.154 2.631 . 0 0 "[ . 1 . 2]" 1
762 1 58 ILE MD 1 93 LEU QD 1.800 . 5.000 2.242 1.862 2.950 . 0 0 "[ . 1 . 2]" 1
763 1 105 LEU QD 1 111 MET ME 1.800 . 5.000 2.046 1.790 2.550 0.010 14 0 "[ . 1 . 2]" 1
764 1 101 LEU QD 1 129 LEU QD 1.800 . 5.000 2.436 2.215 2.717 . 0 0 "[ . 1 . 2]" 1
765 1 24 LEU QD 1 121 PHE QD 1.800 . 5.000 2.476 1.793 3.112 0.007 4 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 72
_Distance_constraint_stats_list.Viol_count 182
_Distance_constraint_stats_list.Viol_total 557.432
_Distance_constraint_stats_list.Viol_max 1.556
_Distance_constraint_stats_list.Viol_rms 0.1260
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0194
_Distance_constraint_stats_list.Viol_average_violations_only 0.1531
_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 23 GLU 24.881 1.556 17 10 "[ ** - ** 1** *.*+ 2]"
1 24 LEU 0.072 0.036 17 0 "[ . 1 . 2]"
1 25 ALA 0.005 0.005 11 0 "[ . 1 . 2]"
1 26 ARG 0.264 0.043 20 0 "[ . 1 . 2]"
1 27 VAL 24.881 1.556 17 10 "[ ** - ** 1** *.*+ 2]"
1 28 LYS 0.115 0.036 17 0 "[ . 1 . 2]"
1 29 PHE 0.005 0.005 11 0 "[ . 1 . 2]"
1 30 MET 0.292 0.043 20 0 "[ . 1 . 2]"
1 31 GLN 0.007 0.007 4 0 "[ . 1 . 2]"
1 32 ASP 0.250 0.056 4 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.028 0.020 12 0 "[ . 1 . 2]"
1 35 ASN 0.007 0.007 4 0 "[ . 1 . 2]"
1 36 SER 0.207 0.056 4 0 "[ . 1 . 2]"
1 47 HIS 0.195 0.050 10 0 "[ . 1 . 2]"
1 48 ALA 0.057 0.029 18 0 "[ . 1 . 2]"
1 49 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.005 0.005 19 0 "[ . 1 . 2]"
1 51 ARG 0.255 0.050 10 0 "[ . 1 . 2]"
1 52 GLU 0.210 0.033 1 0 "[ . 1 . 2]"
1 53 PHE 0.027 0.015 19 0 "[ . 1 . 2]"
1 54 ILE 0.093 0.027 10 0 "[ . 1 . 2]"
1 55 GLN 0.110 0.043 3 0 "[ . 1 . 2]"
1 56 SER 0.651 0.076 14 0 "[ . 1 . 2]"
1 57 PHE 0.027 0.015 19 0 "[ . 1 . 2]"
1 58 ILE 0.087 0.027 10 0 "[ . 1 . 2]"
1 59 GLU 0.050 0.019 1 0 "[ . 1 . 2]"
1 60 ARG 0.499 0.076 14 0 "[ . 1 . 2]"
1 86 GLN 0.074 0.031 1 0 "[ . 1 . 2]"
1 87 GLN 0.032 0.010 18 0 "[ . 1 . 2]"
1 88 ARG 0.137 0.060 20 0 "[ . 1 . 2]"
1 89 ARG 0.065 0.051 7 0 "[ . 1 . 2]"
1 90 ASP 0.143 0.031 1 0 "[ . 1 . 2]"
1 91 GLN 0.109 0.069 13 0 "[ . 1 . 2]"
1 92 GLU 0.182 0.060 20 0 "[ . 1 . 2]"
1 93 LEU 0.133 0.051 7 0 "[ . 1 . 2]"
1 94 LYS 0.069 0.023 14 0 "[ . 1 . 2]"
1 95 GLU 0.076 0.069 13 0 "[ . 1 . 2]"
1 96 PHE 0.044 0.038 3 0 "[ . 1 . 2]"
1 97 LYS 0.068 0.025 5 0 "[ . 1 . 2]"
1 100 PHE 0.009 0.009 13 0 "[ . 1 . 2]"
1 102 CYS 0.015 0.013 7 0 "[ . 1 . 2]"
1 109 LYS 0.179 0.058 18 0 "[ . 1 . 2]"
1 110 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 MET 0.049 0.031 9 0 "[ . 1 . 2]"
1 113 PHE 0.179 0.058 18 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 0.049 0.031 9 0 "[ . 1 . 2]"
1 130 ILE 0.015 0.013 7 0 "[ . 1 . 2]"
1 132 ILE 0.009 0.009 13 0 "[ . 1 . 2]"
1 133 ASN 0.414 0.065 13 0 "[ . 1 . 2]"
1 137 GLU 0.414 0.065 13 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 1 100 PHE N 1 132 ILE O 2.700 2.700 3.300 2.846 2.715 3.055 . 0 0 "[ . 1 . 2]" 2
2 1 100 PHE H 1 132 ILE O 1.700 . 2.300 2.007 1.743 2.299 . 0 0 "[ . 1 . 2]" 2
3 1 102 CYS N 1 130 ILE O 2.700 2.700 3.300 2.841 2.687 3.115 0.013 7 0 "[ . 1 . 2]" 2
4 1 102 CYS H 1 130 ILE O 1.700 . 2.300 1.959 1.772 2.248 . 0 0 "[ . 1 . 2]" 2
5 1 100 PHE O 1 132 ILE N 2.700 2.700 3.300 2.789 2.691 2.936 0.009 13 0 "[ . 1 . 2]" 2
6 1 100 PHE O 1 132 ILE H 1.700 . 2.300 1.819 1.709 1.957 . 0 0 "[ . 1 . 2]" 2
7 1 133 ASN O 1 137 GLU N 2.700 2.700 3.300 3.165 2.851 3.312 0.012 10 0 "[ . 1 . 2]" 2
8 1 133 ASN O 1 137 GLU H 1.700 . 2.300 2.248 1.893 2.365 0.065 13 0 "[ . 1 . 2]" 2
9 1 133 ASN N 1 137 GLU O 2.700 2.700 3.300 2.807 2.670 3.195 0.030 6 0 "[ . 1 . 2]" 2
10 1 133 ASN H 1 137 GLU O 1.700 . 2.300 1.859 1.693 2.305 0.007 6 0 "[ . 1 . 2]" 2
11 1 23 GLU O 1 27 VAL N 2.700 2.700 3.300 3.861 3.156 4.733 1.433 17 10 "[ ** - ** 1** *.*+ 2]" 2
12 1 23 GLU O 1 27 VAL H 1.700 . 2.300 2.972 2.232 3.856 1.556 17 10 "[ ** - ** 1** *.*+ 2]" 2
13 1 24 LEU O 1 28 LYS N 2.700 2.700 3.300 2.963 2.719 3.261 . 0 0 "[ . 1 . 2]" 2
14 1 24 LEU O 1 28 LYS H 1.700 . 2.300 2.028 1.779 2.336 0.036 17 0 "[ . 1 . 2]" 2
15 1 25 ALA O 1 29 PHE N 2.700 2.700 3.300 2.885 2.695 3.128 0.005 11 0 "[ . 1 . 2]" 2
16 1 25 ALA O 1 29 PHE H 1.700 . 2.300 1.977 1.828 2.245 . 0 0 "[ . 1 . 2]" 2
17 1 26 ARG O 1 30 MET N 2.700 2.700 3.300 3.157 2.834 3.302 0.002 1 0 "[ . 1 . 2]" 2
18 1 26 ARG O 1 30 MET H 1.700 . 2.300 2.203 1.870 2.343 0.043 20 0 "[ . 1 . 2]" 2
19 1 27 VAL O 1 31 GLN N 2.700 2.700 3.300 2.846 2.750 3.021 . 0 0 "[ . 1 . 2]" 2
20 1 27 VAL O 1 31 GLN H 1.700 . 2.300 1.890 1.781 2.086 . 0 0 "[ . 1 . 2]" 2
21 1 28 LYS O 1 32 ASP N 2.700 2.700 3.300 2.787 2.675 3.126 0.025 15 0 "[ . 1 . 2]" 2
22 1 28 LYS O 1 32 ASP H 1.700 . 2.300 1.824 1.694 2.154 0.006 15 0 "[ . 1 . 2]" 2
23 1 29 PHE O 1 33 VAL N 2.700 2.700 3.300 2.894 2.750 3.036 . 0 0 "[ . 1 . 2]" 2
24 1 29 PHE O 1 33 VAL H 1.700 . 2.300 1.952 1.791 2.098 . 0 0 "[ . 1 . 2]" 2
25 1 30 MET O 1 34 VAL N 2.700 2.700 3.300 3.024 2.711 3.206 . 0 0 "[ . 1 . 2]" 2
26 1 30 MET O 1 34 VAL H 1.700 . 2.300 2.096 1.749 2.320 0.020 12 0 "[ . 1 . 2]" 2
27 1 31 GLN O 1 35 ASN N 2.700 2.700 3.300 2.942 2.792 3.187 . 0 0 "[ . 1 . 2]" 2
28 1 31 GLN O 1 35 ASN H 1.700 . 2.300 2.113 1.901 2.307 0.007 4 0 "[ . 1 . 2]" 2
29 1 32 ASP O 1 36 SER N 2.700 2.700 3.300 2.813 2.656 3.046 0.044 4 0 "[ . 1 . 2]" 2
30 1 32 ASP O 1 36 SER H 1.700 . 2.300 2.168 1.858 2.356 0.056 4 0 "[ . 1 . 2]" 2
31 1 47 HIS O 1 51 ARG N 2.700 2.700 3.300 3.136 2.693 3.300 0.007 3 0 "[ . 1 . 2]" 2
32 1 47 HIS O 1 51 ARG H 1.700 . 2.300 2.180 1.739 2.350 0.050 10 0 "[ . 1 . 2]" 2
33 1 48 ALA O 1 52 GLU N 2.700 2.700 3.300 3.021 2.702 3.237 . 0 0 "[ . 1 . 2]" 2
34 1 48 ALA O 1 52 GLU H 1.700 . 2.300 2.099 1.746 2.329 0.029 18 0 "[ . 1 . 2]" 2
35 1 49 HIS O 1 53 PHE N 2.700 2.700 3.300 2.851 2.755 3.120 . 0 0 "[ . 1 . 2]" 2
36 1 49 HIS O 1 53 PHE H 1.700 . 2.300 1.895 1.794 2.161 . 0 0 "[ . 1 . 2]" 2
37 1 50 THR O 1 54 ILE N 2.700 2.700 3.300 2.732 2.695 2.803 0.005 19 0 "[ . 1 . 2]" 2
38 1 50 THR O 1 54 ILE H 1.700 . 2.300 1.769 1.730 1.824 . 0 0 "[ . 1 . 2]" 2
39 1 51 ARG O 1 55 GLN N 2.700 2.700 3.300 2.913 2.719 3.301 0.001 3 0 "[ . 1 . 2]" 2
40 1 51 ARG O 1 55 GLN H 1.700 . 2.300 1.984 1.786 2.343 0.043 3 0 "[ . 1 . 2]" 2
41 1 52 GLU O 1 56 SER N 2.700 2.700 3.300 3.080 2.742 3.258 . 0 0 "[ . 1 . 2]" 2
42 1 52 GLU O 1 56 SER H 1.700 . 2.300 2.183 1.855 2.333 0.033 1 0 "[ . 1 . 2]" 2
43 1 53 PHE O 1 57 PHE N 2.700 2.700 3.300 3.023 2.814 3.241 . 0 0 "[ . 1 . 2]" 2
44 1 53 PHE O 1 57 PHE H 1.700 . 2.300 2.135 1.971 2.315 0.015 19 0 "[ . 1 . 2]" 2
45 1 54 ILE O 1 58 ILE N 2.700 2.700 3.300 3.141 2.997 3.259 . 0 0 "[ . 1 . 2]" 2
46 1 54 ILE O 1 58 ILE H 1.700 . 2.300 2.248 2.116 2.327 0.027 10 0 "[ . 1 . 2]" 2
47 1 55 GLN O 1 59 GLU N 2.700 2.700 3.300 2.794 2.681 3.013 0.019 1 0 "[ . 1 . 2]" 2
48 1 55 GLN O 1 59 GLU H 1.700 . 2.300 1.941 1.714 2.304 0.004 14 0 "[ . 1 . 2]" 2
49 1 56 SER O 1 60 ARG N 2.700 2.700 3.300 3.025 2.845 3.169 . 0 0 "[ . 1 . 2]" 2
50 1 56 SER O 1 60 ARG H 1.700 . 2.300 2.308 2.151 2.376 0.076 14 0 "[ . 1 . 2]" 2
51 1 86 GLN O 1 90 ASP N 2.700 2.700 3.300 2.865 2.674 3.248 0.026 17 0 "[ . 1 . 2]" 2
52 1 86 GLN O 1 90 ASP H 1.700 . 2.300 1.938 1.722 2.331 0.031 1 0 "[ . 1 . 2]" 2
53 1 87 GLN O 1 91 GLN N 2.700 2.700 3.300 2.936 2.694 3.236 0.006 17 0 "[ . 1 . 2]" 2
54 1 87 GLN O 1 91 GLN H 1.700 . 2.300 2.030 1.745 2.310 0.010 18 0 "[ . 1 . 2]" 2
55 1 88 ARG O 1 92 GLU N 2.700 2.700 3.300 3.017 2.698 3.310 0.010 20 0 "[ . 1 . 2]" 2
56 1 88 ARG O 1 92 GLU H 1.700 . 2.300 2.083 1.726 2.360 0.060 20 0 "[ . 1 . 2]" 2
57 1 89 ARG O 1 93 LEU N 2.700 2.700 3.300 2.923 2.742 3.296 . 0 0 "[ . 1 . 2]" 2
58 1 89 ARG O 1 93 LEU H 1.700 . 2.300 1.999 1.777 2.351 0.051 7 0 "[ . 1 . 2]" 2
59 1 90 ASP O 1 94 LYS N 2.700 2.700 3.300 2.968 2.692 3.243 0.008 20 0 "[ . 1 . 2]" 2
60 1 90 ASP O 1 94 LYS H 1.700 . 2.300 2.095 1.744 2.323 0.023 14 0 "[ . 1 . 2]" 2
61 1 91 GLN O 1 95 GLU N 2.700 2.700 3.300 2.947 2.730 3.177 . 0 0 "[ . 1 . 2]" 2
62 1 91 GLN O 1 95 GLU H 1.700 . 2.300 2.031 1.798 2.369 0.069 13 0 "[ . 1 . 2]" 2
63 1 92 GLU O 1 96 PHE N 2.700 2.700 3.300 2.867 2.662 3.223 0.038 3 0 "[ . 1 . 2]" 2
64 1 92 GLU O 1 96 PHE H 1.700 . 2.300 1.961 1.720 2.269 . 0 0 "[ . 1 . 2]" 2
65 1 93 LEU O 1 97 LYS N 2.700 2.700 3.300 2.926 2.738 3.191 . 0 0 "[ . 1 . 2]" 2
66 1 93 LEU O 1 97 LYS H 1.700 . 2.300 2.072 1.798 2.325 0.025 5 0 "[ . 1 . 2]" 2
67 1 109 LYS O 1 113 PHE N 2.700 2.700 3.300 3.070 2.823 3.295 . 0 0 "[ . 1 . 2]" 2
68 1 109 LYS O 1 113 PHE H 1.700 . 2.300 2.127 1.879 2.358 0.058 18 0 "[ . 1 . 2]" 2
69 1 110 ASN O 1 114 LEU N 2.700 2.700 3.300 2.872 2.733 3.149 . 0 0 "[ . 1 . 2]" 2
70 1 110 ASN O 1 114 LEU H 1.700 . 2.300 1.974 1.811 2.227 . 0 0 "[ . 1 . 2]" 2
71 1 111 MET O 1 115 ARG N 2.700 2.700 3.300 2.818 2.685 3.168 0.015 18 0 "[ . 1 . 2]" 2
72 1 111 MET O 1 115 ARG H 1.700 . 2.300 1.950 1.745 2.331 0.031 9 0 "[ . 1 . 2]" 2
stop_
save_
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