NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445039 |
2kiw   |
16298 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kiw
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 999
_Distance_constraint_stats_list.Viol_count 357
_Distance_constraint_stats_list.Viol_total 357.471
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0501
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PHE 0.867 0.173 10 0 "[ . 1 . 2]"
1 3 LYS 0.814 0.173 10 0 "[ . 1 . 2]"
1 4 GLN 0.015 0.015 18 0 "[ . 1 . 2]"
1 5 VAL 0.046 0.027 3 0 "[ . 1 . 2]"
1 6 ALA 0.055 0.055 17 0 "[ . 1 . 2]"
1 7 ASP 0.015 0.015 18 0 "[ . 1 . 2]"
1 8 ASP 0.119 0.068 15 0 "[ . 1 . 2]"
1 9 TRP 0.588 0.102 9 0 "[ . 1 . 2]"
1 10 LEU 0.455 0.188 15 0 "[ . 1 . 2]"
1 11 LYS 0.040 0.040 3 0 "[ . 1 . 2]"
1 12 GLN 0.074 0.050 19 0 "[ . 1 . 2]"
1 13 TYR 0.239 0.063 15 0 "[ . 1 . 2]"
1 14 ALA 0.025 0.016 15 0 "[ . 1 . 2]"
1 15 ASN 0.622 0.114 17 0 "[ . 1 . 2]"
1 16 ASP 0.969 0.259 6 0 "[ . 1 . 2]"
1 17 VAL 0.588 0.259 6 0 "[ . 1 . 2]"
1 18 LYS 0.104 0.040 1 0 "[ . 1 . 2]"
1 19 VAL 0.614 0.172 17 0 "[ . 1 . 2]"
1 20 SER 0.033 0.033 4 0 "[ . 1 . 2]"
1 21 SER 0.085 0.085 15 0 "[ . 1 . 2]"
1 22 VAL 0.178 0.063 15 0 "[ . 1 . 2]"
1 23 ARG 0.478 0.172 17 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.254 0.093 8 0 "[ . 1 . 2]"
1 26 GLU 0.182 0.126 15 0 "[ . 1 . 2]"
1 27 LYS 0.046 0.046 10 0 "[ . 1 . 2]"
1 28 ALA 0.223 0.109 18 0 "[ . 1 . 2]"
1 29 ILE 1.424 0.188 15 0 "[ . 1 . 2]"
1 30 GLN 0.136 0.051 18 0 "[ . 1 . 2]"
1 31 HIS 0.423 0.264 1 0 "[ . 1 . 2]"
1 32 ALA 0.094 0.094 3 0 "[ . 1 . 2]"
1 33 ILE 0.475 0.142 9 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.161 0.142 9 0 "[ . 1 . 2]"
1 37 ASN 0.174 0.116 20 0 "[ . 1 . 2]"
1 38 THR 0.269 0.116 20 0 "[ . 1 . 2]"
1 39 LYS 0.004 0.004 11 0 "[ . 1 . 2]"
1 40 PRO 0.004 0.004 11 0 "[ . 1 . 2]"
1 41 ILE 1.117 0.294 16 0 "[ . 1 . 2]"
1 42 GLN 1.806 0.294 16 0 "[ . 1 . 2]"
1 43 THR 0.618 0.252 9 0 "[ . 1 . 2]"
1 44 ILE 0.322 0.086 11 0 "[ . 1 . 2]"
1 45 LYS 0.837 0.138 3 0 "[ . 1 . 2]"
1 46 LYS 0.159 0.080 2 0 "[ . 1 . 2]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.638 0.141 3 0 "[ . 1 . 2]"
1 49 TYR 0.735 0.243 3 0 "[ . 1 . 2]"
1 50 GLN 0.852 0.086 17 0 "[ . 1 . 2]"
1 51 ARG 0.328 0.141 3 0 "[ . 1 . 2]"
1 52 PHE 0.001 0.001 18 0 "[ . 1 . 2]"
1 53 VAL 0.430 0.089 1 0 "[ . 1 . 2]"
1 54 ASP 0.096 0.057 17 0 "[ . 1 . 2]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.015 0.010 18 0 "[ . 1 . 2]"
1 57 SER 0.081 0.065 17 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLN 0.015 0.015 15 0 "[ . 1 . 2]"
1 60 TYR 0.106 0.049 12 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.053 0.027 12 0 "[ . 1 . 2]"
1 64 TYR 0.116 0.049 12 0 "[ . 1 . 2]"
1 65 VAL 0.091 0.065 17 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.227 0.109 18 0 "[ . 1 . 2]"
1 69 VAL 0.198 0.055 10 0 "[ . 1 . 2]"
1 70 ALA 0.044 0.044 14 0 "[ . 1 . 2]"
1 71 SER 0.915 0.118 15 0 "[ . 1 . 2]"
1 72 THR 0.811 0.109 13 0 "[ . 1 . 2]"
1 73 ASN 0.153 0.053 10 0 "[ . 1 . 2]"
1 74 MET 0.715 0.102 9 0 "[ . 1 . 2]"
1 75 ILE 0.167 0.071 5 0 "[ . 1 . 2]"
1 76 PHE 0.773 0.109 13 0 "[ . 1 . 2]"
1 77 LYS 0.262 0.092 2 0 "[ . 1 . 2]"
1 78 TYR 0.111 0.068 15 0 "[ . 1 . 2]"
1 79 ALA 0.424 0.183 2 0 "[ . 1 . 2]"
1 80 TYR 0.156 0.037 19 0 "[ . 1 . 2]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.677 0.301 2 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.946 0.301 2 0 "[ . 1 . 2]"
1 85 ILE 0.575 0.142 19 0 "[ . 1 . 2]"
1 86 LYS 0.008 0.008 6 0 "[ . 1 . 2]"
1 87 ALA 0.068 0.024 12 0 "[ . 1 . 2]"
1 88 MET 0.343 0.132 19 0 "[ . 1 . 2]"
1 89 PRO 0.345 0.142 19 0 "[ . 1 . 2]"
1 90 SER 0.794 0.243 3 0 "[ . 1 . 2]"
1 91 GLU 0.295 0.173 6 0 "[ . 1 . 2]"
1 93 ILE 1.227 0.089 1 0 "[ . 1 . 2]"
1 94 LYS 0.281 0.073 7 0 "[ . 1 . 2]"
1 95 ARG 0.317 0.073 7 0 "[ . 1 . 2]"
1 96 PRO 0.031 0.018 14 0 "[ . 1 . 2]"
1 97 LYS 0.097 0.066 11 0 "[ . 1 . 2]"
1 98 LYS 0.186 0.048 7 0 "[ . 1 . 2]"
1 99 LYS 0.186 0.048 7 0 "[ . 1 . 2]"
1 100 VAL 0.734 0.265 14 0 "[ . 1 . 2]"
1 101 SER 0.056 0.040 12 0 "[ . 1 . 2]"
1 102 VAL 0.313 0.057 3 0 "[ . 1 . 2]"
1 103 GLU 0.408 0.148 6 0 "[ . 1 . 2]"
1 104 LEU 0.449 0.148 6 0 "[ . 1 . 2]"
1 105 GLU 0.017 0.017 1 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 2 PHE HA 1 5 VAL HB 1.800 . 4.320 2.789 2.400 3.282 . 0 0 "[ . 1 . 2]" 1
2 1 2 PHE HA 1 5 VAL MG2 1.800 . 4.480 3.203 2.875 3.686 . 0 0 "[ . 1 . 2]" 1
3 1 2 PHE HA 1 5 VAL H 1.800 . 4.600 3.502 3.249 3.736 . 0 0 "[ . 1 . 2]" 1
4 1 2 PHE HA 1 41 ILE MD 1.800 . 5.020 3.767 3.158 4.977 . 0 0 "[ . 1 . 2]" 1
5 1 2 PHE QB 1 3 LYS H 1.800 . 4.330 2.884 2.420 3.484 . 0 0 "[ . 1 . 2]" 1
6 1 2 PHE QD 1 3 LYS HA 1.800 . 5.280 3.757 2.743 5.453 0.173 10 0 "[ . 1 . 2]" 1
7 1 2 PHE QD 1 33 ILE HA 1.800 . 4.720 4.033 2.334 4.749 0.029 9 0 "[ . 1 . 2]" 1
8 1 3 LYS HA 1 3 LYS QG 1.800 . 3.920 2.566 2.313 3.319 . 0 0 "[ . 1 . 2]" 1
9 1 3 LYS HA 1 6 ALA MB 1.800 . 3.900 2.715 2.303 2.940 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS HA 1 6 ALA H 1.800 . 3.900 3.570 3.351 3.722 . 0 0 "[ . 1 . 2]" 1
11 1 3 LYS HA 1 33 ILE MD 1.800 . 4.500 3.500 2.254 4.552 0.052 11 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 33 ILE MG 1.800 . 3.940 2.821 2.236 3.513 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS QB 1 3 LYS QD 1.800 . 3.650 2.182 2.122 2.267 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS QB 1 4 GLN H 1.800 . 4.290 2.626 2.408 3.476 . 0 0 "[ . 1 . 2]" 1
15 1 3 LYS QB 1 33 ILE MG 1.800 . 4.460 2.790 2.095 3.850 . 0 0 "[ . 1 . 2]" 1
16 1 3 LYS QG 1 4 GLN HA 1.800 . 4.870 3.588 3.122 3.816 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS QG 1 4 GLN H 1.800 . 4.570 3.388 1.941 3.721 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS H 1 3 LYS QB 1.800 . 3.670 2.292 2.247 2.499 . 0 0 "[ . 1 . 2]" 1
19 1 3 LYS H 1 3 LYS QG 1.800 . 4.360 3.699 2.008 4.078 . 0 0 "[ . 1 . 2]" 1
20 1 3 LYS H 1 4 GLN H 1.800 . 4.330 2.715 2.566 2.818 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLN HA 1 4 GLN QG 1.800 . 3.800 2.492 2.307 2.856 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLN HA 1 7 ASP QB 1.800 . 3.920 2.678 2.359 3.935 0.015 18 0 "[ . 1 . 2]" 1
23 1 4 GLN HA 1 7 ASP H 1.800 . 4.530 3.607 3.457 3.904 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLN QB 1 5 VAL MG2 1.800 . 4.280 3.077 2.909 3.176 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLN QB 1 5 VAL H 1.800 . 3.990 2.469 2.297 2.573 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLN H 1 4 GLN QB 1.800 . 3.530 2.301 2.195 2.439 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLN H 1 4 GLN QG 1.800 . 4.130 3.416 2.096 4.076 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLN H 1 5 VAL H 1.800 . 4.110 2.689 2.617 2.785 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL HA 1 5 VAL MG1 1.800 . 3.670 2.390 2.367 2.411 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL HA 1 5 VAL MG2 1.800 . 3.630 2.349 2.318 2.370 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL HA 1 8 ASP QB 1.800 . 4.160 2.747 2.377 3.065 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL HA 1 8 ASP H 1.800 . 4.570 3.576 3.287 3.690 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL HB 1 6 ALA HA 1.800 . 5.390 4.383 4.325 4.420 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL HB 1 6 ALA H 1.800 . 4.360 2.491 2.434 2.606 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL HB 1 75 ILE MG 1.800 . 4.740 4.215 3.833 4.640 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL MG1 1 6 ALA H 1.800 . 4.630 3.219 3.180 3.335 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL MG1 1 8 ASP QB 1.800 . 5.370 3.747 3.146 3.961 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL MG1 1 9 TRP H 1.800 . 5.410 4.134 3.683 4.335 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL MG1 1 75 ILE MG 1.800 . 3.660 2.723 2.166 3.180 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL MG1 1 78 TYR QD 1.800 . 3.880 2.447 2.048 2.929 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL MG1 1 78 TYR QE 1.800 . 3.790 2.855 2.192 3.817 0.027 3 0 "[ . 1 . 2]" 1
42 1 5 VAL MG1 1 79 ALA MB 1.800 . 3.620 2.668 2.185 3.309 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL MG1 1 79 ALA H 1.800 . 4.440 3.960 3.518 4.453 0.013 13 0 "[ . 1 . 2]" 1
44 1 5 VAL MG2 1 6 ALA H 1.800 . 4.620 3.861 3.821 3.898 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL H 1 5 VAL HB 1.800 . 3.970 2.430 2.406 2.466 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL H 1 5 VAL MG1 1.800 . 4.380 3.757 3.748 3.768 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL H 1 5 VAL MG2 1.800 . 3.520 2.194 2.147 2.262 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL H 1 6 ALA H 1.800 . 3.880 2.703 2.610 2.752 . 0 0 "[ . 1 . 2]" 1
49 1 6 ALA HA 1 9 TRP QB 1.800 . 4.400 2.935 2.650 3.337 . 0 0 "[ . 1 . 2]" 1
50 1 6 ALA HA 1 9 TRP H 1.800 . 4.600 3.597 3.441 3.742 . 0 0 "[ . 1 . 2]" 1
51 1 6 ALA HA 1 33 ILE MD 1.800 . 5.290 4.721 4.338 5.345 0.055 17 0 "[ . 1 . 2]" 1
52 1 6 ALA HA 1 75 ILE MD 1.800 . 4.530 3.032 2.285 3.536 . 0 0 "[ . 1 . 2]" 1
53 1 6 ALA HA 1 75 ILE QG 1.800 . 4.690 3.125 2.456 3.788 . 0 0 "[ . 1 . 2]" 1
54 1 6 ALA HA 1 75 ILE MG 1.800 . 4.130 2.507 2.229 2.843 . 0 0 "[ . 1 . 2]" 1
55 1 6 ALA MB 1 7 ASP HA 1.800 . 5.290 3.818 3.769 3.860 . 0 0 "[ . 1 . 2]" 1
56 1 6 ALA MB 1 7 ASP H 1.800 . 3.880 2.458 2.289 2.585 . 0 0 "[ . 1 . 2]" 1
57 1 6 ALA MB 1 9 TRP QB 1.800 . 5.300 4.160 3.960 4.456 . 0 0 "[ . 1 . 2]" 1
58 1 6 ALA MB 1 33 ILE MD 1.800 . 3.780 2.384 1.965 2.841 . 0 0 "[ . 1 . 2]" 1
59 1 6 ALA MB 1 33 ILE QG 1.800 . 4.270 2.871 2.000 3.543 . 0 0 "[ . 1 . 2]" 1
60 1 6 ALA MB 1 75 ILE MD 1.800 . 3.820 2.644 2.114 3.460 . 0 0 "[ . 1 . 2]" 1
61 1 6 ALA MB 1 75 ILE MG 1.800 . 4.170 2.607 2.124 3.384 . 0 0 "[ . 1 . 2]" 1
62 1 6 ALA H 1 6 ALA MB 1.800 . 3.560 2.228 2.193 2.255 . 0 0 "[ . 1 . 2]" 1
63 1 6 ALA H 1 75 ILE MG 1.800 . 4.980 3.982 3.697 4.394 . 0 0 "[ . 1 . 2]" 1
64 1 7 ASP HA 1 10 LEU QB 1.800 . 4.480 2.635 2.284 2.811 . 0 0 "[ . 1 . 2]" 1
65 1 7 ASP HA 1 10 LEU QD 1.800 . 4.800 3.263 2.207 4.335 . 0 0 "[ . 1 . 2]" 1
66 1 7 ASP HA 1 10 LEU H 1.800 . 4.600 3.488 3.370 3.603 . 0 0 "[ . 1 . 2]" 1
67 1 7 ASP HB3 1 8 ASP H 1.800 . 4.350 3.000 2.472 3.794 . 0 0 "[ . 1 . 2]" 1
68 1 7 ASP HB2 1 8 ASP H 1.800 . 4.350 3.394 2.541 3.946 . 0 0 "[ . 1 . 2]" 1
69 1 7 ASP H 1 7 ASP QB 1.800 . 3.410 2.282 2.222 2.372 . 0 0 "[ . 1 . 2]" 1
70 1 7 ASP H 1 8 ASP H 1.800 . 3.410 2.660 2.602 2.697 . 0 0 "[ . 1 . 2]" 1
71 1 8 ASP HA 1 11 LYS QB 1.800 . 4.130 2.986 2.416 4.170 0.040 3 0 "[ . 1 . 2]" 1
72 1 8 ASP HA 1 11 LYS H 1.800 . 4.390 3.593 3.430 3.859 . 0 0 "[ . 1 . 2]" 1
73 1 8 ASP HA 1 12 GLN H 1.800 . 5.000 4.265 3.618 4.733 . 0 0 "[ . 1 . 2]" 1
74 1 8 ASP QB 1 78 TYR QE 1.800 . 5.000 4.429 3.475 5.068 0.068 15 0 "[ . 1 . 2]" 1
75 1 8 ASP HB3 1 9 TRP H 1.800 . 4.600 2.847 2.380 3.497 . 0 0 "[ . 1 . 2]" 1
76 1 8 ASP HB2 1 9 TRP H 1.800 . 4.600 3.288 2.473 3.860 . 0 0 "[ . 1 . 2]" 1
77 1 8 ASP H 1 9 TRP H 1.800 . 4.250 2.722 2.677 2.773 . 0 0 "[ . 1 . 2]" 1
78 1 9 TRP HA 1 9 TRP HD1 1.800 . 4.640 3.159 3.019 3.547 . 0 0 "[ . 1 . 2]" 1
79 1 9 TRP HA 1 12 GLN QB 1.800 . 4.300 2.870 2.463 4.162 . 0 0 "[ . 1 . 2]" 1
80 1 9 TRP HA 1 12 GLN QG 1.800 . 4.730 3.881 2.265 4.743 0.013 15 0 "[ . 1 . 2]" 1
81 1 9 TRP HA 1 12 GLN H 1.800 . 4.230 3.554 3.431 3.751 . 0 0 "[ . 1 . 2]" 1
82 1 9 TRP QB 1 10 LEU H 1.800 . 4.260 2.541 2.365 2.636 . 0 0 "[ . 1 . 2]" 1
83 1 9 TRP HD1 1 78 TYR HB3 1.800 . 4.800 3.820 3.019 4.690 . 0 0 "[ . 1 . 2]" 1
84 1 9 TRP HD1 1 78 TYR HB2 1.800 . 4.800 3.155 2.412 4.099 . 0 0 "[ . 1 . 2]" 1
85 1 9 TRP HE1 1 74 MET QB 1.800 . 5.000 2.571 1.794 4.641 0.006 3 0 "[ . 1 . 2]" 1
86 1 9 TRP HE1 1 74 MET QG 1.800 . 6.000 3.853 2.030 5.591 . 0 0 "[ . 1 . 2]" 1
87 1 9 TRP HE1 1 78 TYR HB3 1.800 . 6.050 5.176 4.120 5.943 . 0 0 "[ . 1 . 2]" 1
88 1 9 TRP HE1 1 78 TYR HB2 1.800 . 6.050 3.966 2.963 4.686 . 0 0 "[ . 1 . 2]" 1
89 1 9 TRP HE3 1 10 LEU HB3 1.800 . 6.050 4.612 4.224 5.335 . 0 0 "[ . 1 . 2]" 1
90 1 9 TRP HE3 1 10 LEU HB2 1.800 . 6.050 3.794 2.844 5.035 . 0 0 "[ . 1 . 2]" 1
91 1 9 TRP HE3 1 74 MET ME 1.800 . 6.150 6.144 5.938 6.252 0.102 9 0 "[ . 1 . 2]" 1
92 1 9 TRP H 1 9 TRP HB3 1.800 . 4.100 2.609 2.444 2.929 . 0 0 "[ . 1 . 2]" 1
93 1 9 TRP H 1 9 TRP HB2 1.800 . 4.100 2.492 2.219 2.656 . 0 0 "[ . 1 . 2]" 1
94 1 9 TRP H 1 10 LEU H 1.800 . 4.570 2.671 2.585 2.786 . 0 0 "[ . 1 . 2]" 1
95 1 9 TRP HZ2 1 74 MET ME 1.800 . 6.000 2.394 2.115 3.562 . 0 0 "[ . 1 . 2]" 1
96 1 9 TRP HZ3 1 10 LEU QD 1.800 . 4.580 2.909 2.283 3.670 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU HA 1 10 LEU QD 1.800 . 3.660 2.162 1.958 3.007 . 0 0 "[ . 1 . 2]" 1
98 1 10 LEU HA 1 13 TYR QB 1.800 . 4.100 2.477 2.225 2.879 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU HA 1 13 TYR QD 1.800 . 5.120 3.864 3.195 4.219 . 0 0 "[ . 1 . 2]" 1
100 1 10 LEU HA 1 13 TYR H 1.800 . 4.600 3.472 3.336 3.674 . 0 0 "[ . 1 . 2]" 1
101 1 10 LEU HA 1 14 ALA H 1.800 . 5.190 4.237 3.770 4.402 . 0 0 "[ . 1 . 2]" 1
102 1 10 LEU QB 1 11 LYS H 1.800 . 4.370 2.537 2.407 2.654 . 0 0 "[ . 1 . 2]" 1
103 1 10 LEU QB 1 29 ILE MD 1.800 . 5.190 4.004 2.513 5.378 0.188 15 0 "[ . 1 . 2]" 1
104 1 10 LEU HB3 1 26 GLU QB 1.800 . 6.050 5.039 3.193 6.064 0.014 3 0 "[ . 1 . 2]" 1
105 1 10 LEU HB2 1 26 GLU QB 1.800 . 6.050 5.348 4.513 6.035 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU QD 1 11 LYS H 1.800 . 4.760 3.822 3.286 4.133 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU QD 1 13 TYR QD 1.800 . 4.550 3.287 2.342 4.611 0.061 13 0 "[ . 1 . 2]" 1
108 1 10 LEU QD 1 14 ALA H 1.800 . 6.050 4.380 3.185 5.657 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU QD 1 22 VAL HA 1.800 . 5.030 3.802 2.774 4.795 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU QD 1 26 GLU HA 1.800 . 3.920 2.749 2.366 3.253 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU QD 1 26 GLU QB 1.800 . 3.940 2.570 2.040 3.572 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU QD 1 26 GLU QG 1.800 . 3.510 2.589 2.023 3.636 0.126 15 0 "[ . 1 . 2]" 1
113 1 10 LEU QD 1 26 GLU H 1.800 . 5.140 3.686 3.065 4.350 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU QD 1 29 ILE MD 1.800 . 3.600 2.372 1.944 3.261 . 0 0 "[ . 1 . 2]" 1
115 1 10 LEU HG 1 26 GLU HA 1.800 . 6.050 4.949 2.472 5.852 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU H 1 10 LEU QB 1.800 . 3.610 2.256 2.136 2.372 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU H 1 10 LEU QD 1.800 . 4.540 3.238 1.859 3.785 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU H 1 11 LYS H 1.800 . 3.880 2.706 2.569 2.805 . 0 0 "[ . 1 . 2]" 1
119 1 11 LYS HA 1 11 LYS QD 1.800 . 5.380 3.418 2.126 4.481 . 0 0 "[ . 1 . 2]" 1
120 1 11 LYS HA 1 11 LYS QG 1.800 . 3.530 2.535 2.295 3.299 . 0 0 "[ . 1 . 2]" 1
121 1 11 LYS QB 1 12 GLN HA 1.800 . 4.770 4.045 3.895 4.277 . 0 0 "[ . 1 . 2]" 1
122 1 11 LYS QB 1 12 GLN H 1.800 . 3.540 2.475 2.279 3.410 . 0 0 "[ . 1 . 2]" 1
123 1 11 LYS QG 1 12 GLN H 1.800 . 4.600 3.668 2.000 4.102 . 0 0 "[ . 1 . 2]" 1
124 1 11 LYS H 1 11 LYS HB3 1.800 . 4.230 3.002 2.515 3.611 . 0 0 "[ . 1 . 2]" 1
125 1 11 LYS H 1 11 LYS HB2 1.800 . 4.230 2.524 2.396 3.606 . 0 0 "[ . 1 . 2]" 1
126 1 11 LYS H 1 11 LYS HD3 1.800 . 6.050 4.786 3.673 5.955 . 0 0 "[ . 1 . 2]" 1
127 1 11 LYS H 1 12 GLN H 1.800 . 3.830 2.717 2.580 2.800 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLN HA 1 14 ALA MB 1.800 . 5.300 4.433 4.003 4.965 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLN HA 1 14 ALA H 1.800 . 5.090 3.834 3.609 4.439 . 0 0 "[ . 1 . 2]" 1
130 1 12 GLN HA 1 15 ASN HD21 1.800 . 5.240 4.041 2.731 5.238 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLN HA 1 15 ASN HD22 1.800 . 5.240 3.841 2.407 5.290 0.050 19 0 "[ . 1 . 2]" 1
132 1 12 GLN HA 1 15 ASN H 1.800 . 5.650 4.136 3.604 4.552 . 0 0 "[ . 1 . 2]" 1
133 1 12 GLN QB 1 12 GLN QE 1.800 . 4.590 3.390 2.848 3.711 . 0 0 "[ . 1 . 2]" 1
134 1 12 GLN HB3 1 13 TYR H 1.800 . 5.190 3.352 2.506 3.964 . 0 0 "[ . 1 . 2]" 1
135 1 12 GLN HB2 1 13 TYR H 1.800 . 5.190 2.963 2.527 3.890 . 0 0 "[ . 1 . 2]" 1
136 1 12 GLN H 1 12 GLN QG 1.800 . 4.350 2.719 1.789 4.075 0.011 19 0 "[ . 1 . 2]" 1
137 1 12 GLN H 1 13 TYR H 1.800 . 3.780 2.588 2.529 2.640 . 0 0 "[ . 1 . 2]" 1
138 1 13 TYR HA 1 13 TYR QD 1.800 . 3.960 2.691 2.539 2.923 . 0 0 "[ . 1 . 2]" 1
139 1 13 TYR HA 1 13 TYR QE 1.800 . 4.930 4.540 4.467 4.663 . 0 0 "[ . 1 . 2]" 1
140 1 13 TYR QB 1 14 ALA H 1.800 . 4.020 3.044 2.467 3.259 . 0 0 "[ . 1 . 2]" 1
141 1 13 TYR QD 1 14 ALA HA 1.800 . 5.300 3.654 3.321 3.981 . 0 0 "[ . 1 . 2]" 1
142 1 13 TYR QD 1 14 ALA H 1.800 . 5.090 4.073 3.471 4.395 . 0 0 "[ . 1 . 2]" 1
143 1 13 TYR QD 1 22 VAL HA 1.800 . 4.750 4.347 3.541 4.775 0.025 18 0 "[ . 1 . 2]" 1
144 1 13 TYR QD 1 22 VAL MG1 1.800 . 4.800 3.791 3.085 4.467 . 0 0 "[ . 1 . 2]" 1
145 1 13 TYR QD 1 22 VAL MG2 1.800 . 4.650 3.029 2.415 3.601 . 0 0 "[ . 1 . 2]" 1
146 1 13 TYR QE 1 17 VAL MG1 1.800 . 4.640 3.208 2.562 4.059 . 0 0 "[ . 1 . 2]" 1
147 1 13 TYR QE 1 17 VAL MG2 1.800 . 4.540 2.717 2.278 3.671 . 0 0 "[ . 1 . 2]" 1
148 1 13 TYR QE 1 22 VAL HA 1.800 . 4.530 4.221 2.797 4.593 0.063 15 0 "[ . 1 . 2]" 1
149 1 13 TYR QE 1 22 VAL MG2 1.800 . 5.190 3.431 2.726 4.122 . 0 0 "[ . 1 . 2]" 1
150 1 13 TYR H 1 13 TYR QB 1.800 . 3.670 2.267 2.227 2.281 . 0 0 "[ . 1 . 2]" 1
151 1 13 TYR H 1 13 TYR QD 1.800 . 4.930 4.195 4.148 4.207 . 0 0 "[ . 1 . 2]" 1
152 1 13 TYR H 1 14 ALA H 1.800 . 4.150 2.553 2.497 2.700 . 0 0 "[ . 1 . 2]" 1
153 1 14 ALA HA 1 15 ASN HA 1.800 . 5.280 4.776 4.621 4.947 . 0 0 "[ . 1 . 2]" 1
154 1 14 ALA HA 1 17 VAL MG2 1.800 . 4.440 3.497 2.048 4.456 0.016 15 0 "[ . 1 . 2]" 1
155 1 14 ALA MB 1 15 ASN HA 1.800 . 4.690 4.002 3.827 4.230 . 0 0 "[ . 1 . 2]" 1
156 1 14 ALA MB 1 15 ASN H 1.800 . 4.500 3.130 2.620 3.563 . 0 0 "[ . 1 . 2]" 1
157 1 14 ALA MB 1 22 VAL HB 1.800 . 5.170 4.206 3.289 4.904 . 0 0 "[ . 1 . 2]" 1
158 1 14 ALA MB 1 22 VAL MG1 1.800 . 4.370 2.541 2.028 3.474 . 0 0 "[ . 1 . 2]" 1
159 1 14 ALA MB 1 22 VAL MG2 1.800 . 4.000 2.829 2.021 3.565 . 0 0 "[ . 1 . 2]" 1
160 1 14 ALA H 1 14 ALA MB 1.800 . 3.600 2.237 2.190 2.276 . 0 0 "[ . 1 . 2]" 1
161 1 14 ALA H 1 15 ASN H 1.800 . 4.110 2.670 2.398 2.981 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA H 1 22 VAL MG1 1.800 . 5.130 4.438 3.756 4.978 . 0 0 "[ . 1 . 2]" 1
163 1 14 ALA H 1 22 VAL MG2 1.800 . 5.200 4.378 3.982 4.675 . 0 0 "[ . 1 . 2]" 1
164 1 15 ASN QB 1 16 ASP H 1.800 . 4.440 2.732 1.718 3.838 0.082 16 0 "[ . 1 . 2]" 1
165 1 15 ASN H 1 15 ASN QB 1.800 . 3.640 2.381 2.244 2.740 . 0 0 "[ . 1 . 2]" 1
166 1 15 ASN H 1 16 ASP H 1.800 . 4.500 3.384 2.342 4.614 0.114 17 0 "[ . 1 . 2]" 1
167 1 16 ASP QB 1 17 VAL MG1 1.800 . 4.800 3.602 2.513 4.938 0.138 15 0 "[ . 1 . 2]" 1
168 1 16 ASP H 1 17 VAL H 1.800 . 4.700 3.314 1.541 4.641 0.259 6 0 "[ . 1 . 2]" 1
169 1 17 VAL HA 1 17 VAL MG1 1.800 . 3.520 2.534 2.213 3.199 . 0 0 "[ . 1 . 2]" 1
170 1 17 VAL HA 1 17 VAL MG2 1.800 . 4.280 2.918 2.308 3.229 . 0 0 "[ . 1 . 2]" 1
171 1 17 VAL HA 1 18 LYS H 1.800 . 3.600 2.479 2.262 2.839 . 0 0 "[ . 1 . 2]" 1
172 1 17 VAL HB 1 18 LYS H 1.800 . 4.000 2.744 1.789 3.984 0.011 12 0 "[ . 1 . 2]" 1
173 1 17 VAL MG1 1 18 LYS H 1.800 . 4.150 3.423 1.786 3.800 0.014 19 0 "[ . 1 . 2]" 1
174 1 17 VAL MG2 1 18 LYS H 1.800 . 4.470 2.935 1.760 3.957 0.040 1 0 "[ . 1 . 2]" 1
175 1 17 VAL MG2 1 21 SER QB 1.800 . 4.600 3.261 2.118 4.685 0.085 15 0 "[ . 1 . 2]" 1
176 1 17 VAL H 1 17 VAL MG1 1.800 . 4.480 2.679 1.930 3.928 . 0 0 "[ . 1 . 2]" 1
177 1 17 VAL H 1 17 VAL MG2 1.800 . 4.200 2.806 1.804 4.009 . 0 0 "[ . 1 . 2]" 1
178 1 17 VAL H 1 18 LYS H 1.800 . 5.000 4.501 4.284 4.698 . 0 0 "[ . 1 . 2]" 1
179 1 18 LYS HA 1 19 VAL HA 1.800 . 4.840 4.375 4.342 4.417 . 0 0 "[ . 1 . 2]" 1
180 1 18 LYS HA 1 19 VAL H 1.800 . 3.600 2.250 2.172 2.351 . 0 0 "[ . 1 . 2]" 1
181 1 18 LYS QB 1 18 LYS QE 1.800 . 5.480 3.337 2.173 3.809 . 0 0 "[ . 1 . 2]" 1
182 1 18 LYS H 1 18 LYS QD 1.800 . 5.300 3.811 1.791 4.442 0.009 5 0 "[ . 1 . 2]" 1
183 1 18 LYS H 1 18 LYS QG 1.800 . 4.150 2.681 1.787 4.069 0.013 12 0 "[ . 1 . 2]" 1
184 1 19 VAL HA 1 19 VAL QG 1.800 . 3.600 2.196 2.063 2.384 . 0 0 "[ . 1 . 2]" 1
185 1 19 VAL HA 1 20 SER HA 1.800 . 5.560 4.851 4.828 4.906 . 0 0 "[ . 1 . 2]" 1
186 1 19 VAL HA 1 22 VAL HB 1.800 . 4.800 2.762 2.353 3.056 . 0 0 "[ . 1 . 2]" 1
187 1 19 VAL HA 1 22 VAL MG2 1.800 . 4.700 2.895 2.473 3.237 . 0 0 "[ . 1 . 2]" 1
188 1 19 VAL HA 1 22 VAL H 1.800 . 4.600 3.421 3.206 3.577 . 0 0 "[ . 1 . 2]" 1
189 1 19 VAL HB 1 20 SER H 1.800 . 4.940 3.189 2.477 4.087 . 0 0 "[ . 1 . 2]" 1
190 1 19 VAL QG 1 20 SER HA 1.800 . 4.440 3.171 2.951 3.359 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL QG 1 20 SER QB 1.800 . 4.730 3.676 2.893 4.462 . 0 0 "[ . 1 . 2]" 1
192 1 19 VAL QG 1 20 SER H 1.800 . 4.690 2.527 1.829 3.141 . 0 0 "[ . 1 . 2]" 1
193 1 19 VAL QG 1 23 ARG QD 1.800 . 4.300 3.780 2.865 4.472 0.172 17 0 "[ . 1 . 2]" 1
194 1 19 VAL QG 1 23 ARG QG 1.800 . 4.800 4.157 2.801 4.880 0.080 19 0 "[ . 1 . 2]" 1
195 1 19 VAL QG 1 23 ARG H 1.800 . 4.680 4.022 3.569 4.709 0.029 20 0 "[ . 1 . 2]" 1
196 1 19 VAL H 1 19 VAL HB 1.800 . 3.810 2.747 2.391 3.613 . 0 0 "[ . 1 . 2]" 1
197 1 19 VAL H 1 19 VAL QG 1.800 . 4.100 2.012 1.734 2.203 0.066 11 0 "[ . 1 . 2]" 1
198 1 20 SER HA 1 23 ARG QB 1.800 . 4.150 2.926 2.676 4.183 0.033 4 0 "[ . 1 . 2]" 1
199 1 20 SER HA 1 23 ARG H 1.800 . 3.970 3.560 3.488 3.712 . 0 0 "[ . 1 . 2]" 1
200 1 21 SER HA 1 24 ALA MB 1.800 . 3.860 2.809 2.304 3.103 . 0 0 "[ . 1 . 2]" 1
201 1 21 SER HA 1 24 ALA H 1.800 . 4.600 3.586 3.409 3.705 . 0 0 "[ . 1 . 2]" 1
202 1 21 SER QB 1 22 VAL H 1.800 . 4.440 2.667 2.449 3.471 . 0 0 "[ . 1 . 2]" 1
203 1 22 VAL HA 1 22 VAL MG1 1.800 . 3.600 2.376 2.351 2.407 . 0 0 "[ . 1 . 2]" 1
204 1 22 VAL HA 1 22 VAL MG2 1.800 . 3.640 2.356 2.266 2.401 . 0 0 "[ . 1 . 2]" 1
205 1 22 VAL HA 1 25 ARG QB 1.800 . 4.300 2.606 2.218 3.083 . 0 0 "[ . 1 . 2]" 1
206 1 22 VAL HA 1 25 ARG H 1.800 . 4.070 3.549 3.149 3.923 . 0 0 "[ . 1 . 2]" 1
207 1 22 VAL HB 1 23 ARG H 1.800 . 4.070 2.515 2.440 2.585 . 0 0 "[ . 1 . 2]" 1
208 1 22 VAL MG1 1 23 ARG H 1.800 . 5.250 3.272 3.114 3.413 . 0 0 "[ . 1 . 2]" 1
209 1 22 VAL MG1 1 25 ARG H 1.800 . 5.410 4.755 4.212 5.131 . 0 0 "[ . 1 . 2]" 1
210 1 22 VAL MG2 1 23 ARG H 1.800 . 4.720 3.860 3.816 3.901 . 0 0 "[ . 1 . 2]" 1
211 1 22 VAL H 1 22 VAL HB 1.800 . 4.130 2.452 2.415 2.489 . 0 0 "[ . 1 . 2]" 1
212 1 22 VAL H 1 22 VAL MG1 1.800 . 4.770 3.760 3.752 3.767 . 0 0 "[ . 1 . 2]" 1
213 1 22 VAL H 1 22 VAL MG2 1.800 . 4.100 2.160 2.078 2.228 . 0 0 "[ . 1 . 2]" 1
214 1 22 VAL H 1 23 ARG H 1.800 . 4.400 2.713 2.634 2.774 . 0 0 "[ . 1 . 2]" 1
215 1 23 ARG HA 1 23 ARG QG 1.800 . 3.820 2.435 2.308 3.318 . 0 0 "[ . 1 . 2]" 1
216 1 23 ARG HA 1 26 GLU HB3 1.800 . 4.400 2.832 2.484 3.173 . 0 0 "[ . 1 . 2]" 1
217 1 23 ARG HA 1 26 GLU HB2 1.800 . 4.400 3.393 2.945 3.939 . 0 0 "[ . 1 . 2]" 1
218 1 23 ARG HA 1 26 GLU H 1.800 . 4.600 3.593 3.341 3.775 . 0 0 "[ . 1 . 2]" 1
219 1 23 ARG QB 1 24 ALA H 1.800 . 4.200 2.493 2.356 3.389 . 0 0 "[ . 1 . 2]" 1
220 1 23 ARG H 1 23 ARG QB 1.800 . 3.770 2.312 2.175 2.571 . 0 0 "[ . 1 . 2]" 1
221 1 23 ARG H 1 23 ARG QD 1.800 . 5.300 4.078 2.170 4.699 . 0 0 "[ . 1 . 2]" 1
222 1 23 ARG H 1 23 ARG QG 1.800 . 4.990 3.184 1.922 4.080 . 0 0 "[ . 1 . 2]" 1
223 1 23 ARG H 1 24 ALA H 1.800 . 4.180 2.742 2.525 2.842 . 0 0 "[ . 1 . 2]" 1
224 1 24 ALA HA 1 27 LYS QB 1.800 . 4.500 3.072 2.723 3.821 . 0 0 "[ . 1 . 2]" 1
225 1 24 ALA HA 1 27 LYS H 1.800 . 4.460 3.628 3.454 3.819 . 0 0 "[ . 1 . 2]" 1
226 1 24 ALA MB 1 25 ARG H 1.800 . 3.630 2.459 2.299 2.909 . 0 0 "[ . 1 . 2]" 1
227 1 24 ALA H 1 24 ALA MB 1.800 . 3.600 2.232 2.196 2.247 . 0 0 "[ . 1 . 2]" 1
228 1 24 ALA H 1 25 ARG H 1.800 . 4.040 2.647 2.474 2.826 . 0 0 "[ . 1 . 2]" 1
229 1 25 ARG HA 1 25 ARG QD 1.800 . 4.450 3.825 2.258 4.185 . 0 0 "[ . 1 . 2]" 1
230 1 25 ARG HA 1 25 ARG QG 1.800 . 3.900 2.359 2.281 2.549 . 0 0 "[ . 1 . 2]" 1
231 1 25 ARG HA 1 28 ALA MB 1.800 . 4.020 2.672 2.297 3.193 . 0 0 "[ . 1 . 2]" 1
232 1 25 ARG HA 1 28 ALA H 1.800 . 4.760 3.377 3.148 3.648 . 0 0 "[ . 1 . 2]" 1
233 1 25 ARG HA 1 29 ILE H 1.800 . 5.000 4.176 3.637 4.484 . 0 0 "[ . 1 . 2]" 1
234 1 25 ARG QB 1 26 GLU H 1.800 . 4.360 2.555 2.333 2.667 . 0 0 "[ . 1 . 2]" 1
235 1 25 ARG H 1 25 ARG QD 1.800 . 4.650 4.187 3.608 4.743 0.093 8 0 "[ . 1 . 2]" 1
236 1 25 ARG H 1 25 ARG QG 1.800 . 4.370 3.075 2.222 4.065 . 0 0 "[ . 1 . 2]" 1
237 1 25 ARG H 1 26 GLU H 1.800 . 4.060 2.614 2.398 2.696 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLU HA 1 29 ILE HB 1.800 . 5.400 4.144 2.411 5.404 0.004 9 0 "[ . 1 . 2]" 1
239 1 26 GLU HA 1 29 ILE H 1.800 . 4.800 3.619 3.394 3.974 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLU QB 1 27 LYS H 1.800 . 3.810 2.476 2.351 2.638 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLU QG 1 27 LYS H 1.800 . 4.250 3.591 3.507 3.728 . 0 0 "[ . 1 . 2]" 1
242 1 26 GLU H 1 26 GLU QG 1.800 . 4.640 3.984 3.947 4.078 . 0 0 "[ . 1 . 2]" 1
243 1 26 GLU H 1 27 LYS H 1.800 . 4.160 2.742 2.607 2.963 . 0 0 "[ . 1 . 2]" 1
244 1 27 LYS HA 1 27 LYS QG 1.800 . 3.880 2.438 2.271 3.312 . 0 0 "[ . 1 . 2]" 1
245 1 27 LYS HA 1 30 GLN QB 1.800 . 3.530 2.392 2.091 2.919 . 0 0 "[ . 1 . 2]" 1
246 1 27 LYS HA 1 30 GLN QG 1.800 . 4.680 4.033 3.205 4.726 0.046 10 0 "[ . 1 . 2]" 1
247 1 27 LYS HA 1 30 GLN H 1.800 . 4.690 3.465 3.124 3.847 . 0 0 "[ . 1 . 2]" 1
248 1 27 LYS H 1 27 LYS QG 1.800 . 4.050 3.181 2.044 3.983 . 0 0 "[ . 1 . 2]" 1
249 1 27 LYS H 1 28 ALA H 1.800 . 3.740 2.670 2.566 2.775 . 0 0 "[ . 1 . 2]" 1
250 1 28 ALA HA 1 31 HIS QB 1.800 . 4.900 4.015 2.720 4.839 . 0 0 "[ . 1 . 2]" 1
251 1 28 ALA HA 1 31 HIS HD2 1.800 . 4.570 2.900 2.333 4.371 . 0 0 "[ . 1 . 2]" 1
252 1 28 ALA HA 1 31 HIS H 1.800 . 4.600 4.070 3.527 4.494 . 0 0 "[ . 1 . 2]" 1
253 1 28 ALA HA 1 68 ILE MD 1.800 . 5.000 4.077 3.807 4.315 . 0 0 "[ . 1 . 2]" 1
254 1 28 ALA HA 1 68 ILE MG 1.800 . 5.300 4.692 4.166 5.214 . 0 0 "[ . 1 . 2]" 1
255 1 28 ALA MB 1 29 ILE H 1.800 . 3.850 2.396 2.143 2.523 . 0 0 "[ . 1 . 2]" 1
256 1 28 ALA MB 1 68 ILE H 1.800 . 5.500 5.395 5.021 5.609 0.109 18 0 "[ . 1 . 2]" 1
257 1 28 ALA H 1 28 ALA MB 1.800 . 3.600 2.226 2.162 2.245 . 0 0 "[ . 1 . 2]" 1
258 1 28 ALA H 1 29 ILE H 1.800 . 3.990 2.754 2.636 3.021 . 0 0 "[ . 1 . 2]" 1
259 1 29 ILE HA 1 29 ILE MD 1.800 . 4.870 3.818 2.108 4.148 . 0 0 "[ . 1 . 2]" 1
260 1 29 ILE HA 1 32 ALA MB 1.800 . 4.300 2.920 2.413 3.454 . 0 0 "[ . 1 . 2]" 1
261 1 29 ILE HA 1 32 ALA H 1.800 . 4.600 3.276 3.051 3.582 . 0 0 "[ . 1 . 2]" 1
262 1 29 ILE HB 1 30 GLN H 1.800 . 4.920 3.468 2.492 4.150 . 0 0 "[ . 1 . 2]" 1
263 1 29 ILE HB 1 75 ILE MD 1.800 . 4.660 4.035 3.218 4.731 0.071 5 0 "[ . 1 . 2]" 1
264 1 29 ILE MD 1 75 ILE MD 1.800 . 4.090 2.684 1.973 3.173 . 0 0 "[ . 1 . 2]" 1
265 1 29 ILE QG 1 30 GLN H 1.800 . 4.170 3.104 1.810 4.202 0.032 19 0 "[ . 1 . 2]" 1
266 1 29 ILE MD 1 29 ILE MG 1.800 . 3.640 1.945 1.798 2.046 0.002 9 0 "[ . 1 . 2]" 1
267 1 29 ILE MG 1 30 GLN H 1.800 . 4.740 3.787 3.283 4.108 . 0 0 "[ . 1 . 2]" 1
268 1 29 ILE MG 1 71 SER HA 1.800 . 6.000 5.904 5.046 6.114 0.114 19 0 "[ . 1 . 2]" 1
269 1 29 ILE MG 1 71 SER QB 1.800 . 4.300 3.997 2.882 4.418 0.118 15 0 "[ . 1 . 2]" 1
270 1 29 ILE MG 1 72 THR H 1.800 . 5.000 4.568 3.767 5.093 0.093 1 0 "[ . 1 . 2]" 1
271 1 29 ILE MG 1 75 ILE MD 1.800 . 3.810 2.580 1.932 3.574 . 0 0 "[ . 1 . 2]" 1
272 1 29 ILE H 1 29 ILE MD 1.800 . 4.650 3.430 1.737 3.780 0.063 9 0 "[ . 1 . 2]" 1
273 1 29 ILE H 1 29 ILE QG 1.800 . 4.400 2.015 1.837 2.295 . 0 0 "[ . 1 . 2]" 1
274 1 29 ILE H 1 29 ILE MG 1.800 . 3.860 2.917 2.198 3.783 . 0 0 "[ . 1 . 2]" 1
275 1 29 ILE H 1 30 GLN H 1.800 . 3.880 2.507 2.352 2.697 . 0 0 "[ . 1 . 2]" 1
276 1 30 GLN HA 1 33 ILE HB 1.800 . 4.060 2.721 2.436 3.186 . 0 0 "[ . 1 . 2]" 1
277 1 30 GLN HA 1 33 ILE MD 1.800 . 4.100 2.612 2.264 4.151 0.051 18 0 "[ . 1 . 2]" 1
278 1 30 GLN HA 1 33 ILE MG 1.800 . 4.640 4.064 3.818 4.429 . 0 0 "[ . 1 . 2]" 1
279 1 30 GLN HA 1 33 ILE H 1.800 . 4.510 3.434 3.188 3.708 . 0 0 "[ . 1 . 2]" 1
280 1 30 GLN QB 1 30 GLN QE 1.800 . 4.730 3.245 1.960 3.708 . 0 0 "[ . 1 . 2]" 1
281 1 30 GLN QB 1 31 HIS H 1.800 . 4.470 2.597 2.501 2.796 . 0 0 "[ . 1 . 2]" 1
282 1 30 GLN QG 1 33 ILE MD 1.800 . 5.860 4.153 3.347 5.734 . 0 0 "[ . 1 . 2]" 1
283 1 30 GLN HG3 1 31 HIS H 1.800 . 5.540 4.516 3.921 5.014 . 0 0 "[ . 1 . 2]" 1
284 1 30 GLN HG2 1 31 HIS H 1.800 . 5.540 4.194 3.649 4.929 . 0 0 "[ . 1 . 2]" 1
285 1 30 GLN H 1 30 GLN QB 1.800 . 3.600 2.274 2.252 2.369 . 0 0 "[ . 1 . 2]" 1
286 1 30 GLN H 1 31 HIS H 1.800 . 4.250 2.765 2.649 2.934 . 0 0 "[ . 1 . 2]" 1
287 1 31 HIS HA 1 34 GLU QB 1.800 . 4.860 2.826 2.371 3.141 . 0 0 "[ . 1 . 2]" 1
288 1 31 HIS HA 1 34 GLU H 1.800 . 4.600 3.574 3.400 3.695 . 0 0 "[ . 1 . 2]" 1
289 1 31 HIS QB 1 32 ALA H 1.800 . 4.180 2.523 2.421 2.621 . 0 0 "[ . 1 . 2]" 1
290 1 31 HIS H 1 31 HIS HD2 1.800 . 5.050 3.312 2.675 5.314 0.264 1 0 "[ . 1 . 2]" 1
291 1 31 HIS H 1 32 ALA H 1.800 . 4.300 2.705 2.608 2.798 . 0 0 "[ . 1 . 2]" 1
292 1 32 ALA HA 1 35 ARG QB 1.800 . 4.510 2.785 2.386 3.579 . 0 0 "[ . 1 . 2]" 1
293 1 32 ALA HA 1 35 ARG H 1.800 . 4.500 3.599 3.410 4.010 . 0 0 "[ . 1 . 2]" 1
294 1 32 ALA HA 1 36 PHE H 1.800 . 5.050 3.981 3.444 4.672 . 0 0 "[ . 1 . 2]" 1
295 1 32 ALA HA 1 52 PHE QE 1.800 . 4.650 3.534 2.691 4.433 . 0 0 "[ . 1 . 2]" 1
296 1 32 ALA MB 1 33 ILE MD 1.800 . 5.640 3.976 2.123 4.411 . 0 0 "[ . 1 . 2]" 1
297 1 32 ALA MB 1 33 ILE H 1.800 . 4.110 2.479 2.268 2.583 . 0 0 "[ . 1 . 2]" 1
298 1 32 ALA MB 1 36 PHE QD 1.800 . 4.310 2.812 2.282 3.751 . 0 0 "[ . 1 . 2]" 1
299 1 32 ALA MB 1 36 PHE QE 1.800 . 4.750 2.770 2.201 4.093 . 0 0 "[ . 1 . 2]" 1
300 1 32 ALA MB 1 52 PHE QE 1.800 . 4.830 2.562 2.222 2.835 . 0 0 "[ . 1 . 2]" 1
301 1 32 ALA MB 1 52 PHE HZ 1.800 . 4.720 2.950 2.286 3.844 . 0 0 "[ . 1 . 2]" 1
302 1 32 ALA MB 1 76 PHE HZ 1.800 . 5.300 4.422 3.661 5.394 0.094 3 0 "[ . 1 . 2]" 1
303 1 32 ALA H 1 32 ALA MB 1.800 . 3.620 2.197 2.099 2.241 . 0 0 "[ . 1 . 2]" 1
304 1 32 ALA H 1 33 ILE H 1.800 . 3.980 2.670 2.592 2.855 . 0 0 "[ . 1 . 2]" 1
305 1 33 ILE HA 1 33 ILE MD 1.800 . 4.510 3.506 2.080 3.845 . 0 0 "[ . 1 . 2]" 1
306 1 33 ILE HA 1 33 ILE MG 1.800 . 3.750 2.395 2.289 2.529 . 0 0 "[ . 1 . 2]" 1
307 1 33 ILE HA 1 36 PHE QB 1.800 . 4.700 3.284 2.585 4.842 0.142 9 0 "[ . 1 . 2]" 1
308 1 33 ILE HA 1 36 PHE H 1.800 . 5.000 3.578 3.161 3.982 . 0 0 "[ . 1 . 2]" 1
309 1 33 ILE HA 1 37 ASN H 1.800 . 5.290 4.634 4.313 4.989 . 0 0 "[ . 1 . 2]" 1
310 1 33 ILE HB 1 33 ILE MD 1.800 . 3.590 2.398 2.242 3.214 . 0 0 "[ . 1 . 2]" 1
311 1 33 ILE HB 1 34 GLU H 1.800 . 3.790 2.551 2.492 2.662 . 0 0 "[ . 1 . 2]" 1
312 1 33 ILE MD 1 34 GLU H 1.800 . 5.360 4.365 3.854 4.491 . 0 0 "[ . 1 . 2]" 1
313 1 33 ILE MD 1 33 ILE MG 1.800 . 3.600 2.017 1.805 3.239 . 0 0 "[ . 1 . 2]" 1
314 1 33 ILE QG 1 33 ILE MG 1.800 . 3.590 2.256 2.101 2.295 . 0 0 "[ . 1 . 2]" 1
315 1 33 ILE MG 1 34 GLU HA 1.800 . 4.350 3.359 3.145 3.675 . 0 0 "[ . 1 . 2]" 1
316 1 33 ILE MG 1 34 GLU H 1.800 . 4.220 3.278 3.017 3.555 . 0 0 "[ . 1 . 2]" 1
317 1 33 ILE MG 1 37 ASN HA 1.800 . 4.220 3.556 2.754 4.229 0.009 20 0 "[ . 1 . 2]" 1
318 1 33 ILE MG 1 37 ASN H 1.800 . 5.070 4.599 3.997 5.040 . 0 0 "[ . 1 . 2]" 1
319 1 33 ILE H 1 33 ILE HB 1.800 . 3.770 2.444 2.291 2.627 . 0 0 "[ . 1 . 2]" 1
320 1 33 ILE H 1 33 ILE MD 1.800 . 4.150 3.196 1.762 3.496 0.038 11 0 "[ . 1 . 2]" 1
321 1 33 ILE H 1 33 ILE QG 1.800 . 4.930 2.288 1.912 3.378 . 0 0 "[ . 1 . 2]" 1
322 1 33 ILE H 1 33 ILE MG 1.800 . 4.150 3.755 3.712 3.770 . 0 0 "[ . 1 . 2]" 1
323 1 33 ILE H 1 34 GLU H 1.800 . 4.150 2.698 2.652 2.784 . 0 0 "[ . 1 . 2]" 1
324 1 34 GLU HA 1 34 GLU HG3 1.800 . 4.140 2.928 2.428 3.706 . 0 0 "[ . 1 . 2]" 1
325 1 34 GLU HA 1 34 GLU HG2 1.800 . 4.140 3.052 2.321 3.722 . 0 0 "[ . 1 . 2]" 1
326 1 34 GLU HA 1 37 ASN QB 1.800 . 4.820 2.277 2.151 2.422 . 0 0 "[ . 1 . 2]" 1
327 1 34 GLU HA 1 37 ASN H 1.800 . 4.600 3.649 3.387 3.764 . 0 0 "[ . 1 . 2]" 1
328 1 34 GLU QB 1 35 ARG H 1.800 . 3.890 2.454 2.249 2.593 . 0 0 "[ . 1 . 2]" 1
329 1 34 GLU QG 1 35 ARG H 1.800 . 4.820 3.805 3.396 4.377 . 0 0 "[ . 1 . 2]" 1
330 1 34 GLU H 1 34 GLU QB 1.800 . 3.600 2.278 2.177 2.412 . 0 0 "[ . 1 . 2]" 1
331 1 34 GLU H 1 34 GLU QG 1.800 . 4.340 3.637 2.159 4.073 . 0 0 "[ . 1 . 2]" 1
332 1 34 GLU H 1 35 ARG H 1.800 . 3.920 2.713 2.541 3.051 . 0 0 "[ . 1 . 2]" 1
333 1 35 ARG HA 1 35 ARG QD 1.800 . 4.580 3.787 2.191 4.206 . 0 0 "[ . 1 . 2]" 1
334 1 35 ARG QB 1 36 PHE H 1.800 . 4.080 2.562 2.408 2.631 . 0 0 "[ . 1 . 2]" 1
335 1 35 ARG H 1 35 ARG HB3 1.800 . 3.950 3.292 2.509 3.611 . 0 0 "[ . 1 . 2]" 1
336 1 35 ARG H 1 35 ARG HB2 1.800 . 3.950 2.418 2.238 2.588 . 0 0 "[ . 1 . 2]" 1
337 1 35 ARG H 1 36 PHE H 1.800 . 3.890 2.667 2.593 2.814 . 0 0 "[ . 1 . 2]" 1
338 1 36 PHE HA 1 36 PHE QD 1.800 . 3.870 2.433 2.262 3.727 . 0 0 "[ . 1 . 2]" 1
339 1 36 PHE HA 1 39 LYS QB 1.800 . 4.640 2.418 2.110 3.462 . 0 0 "[ . 1 . 2]" 1
340 1 36 PHE HA 1 44 ILE MD 1.800 . 5.870 5.155 4.201 5.889 0.019 17 0 "[ . 1 . 2]" 1
341 1 36 PHE QB 1 37 ASN H 1.800 . 4.440 3.687 3.544 4.031 . 0 0 "[ . 1 . 2]" 1
342 1 36 PHE QB 1 44 ILE MD 1.800 . 4.360 3.099 2.509 4.240 . 0 0 "[ . 1 . 2]" 1
343 1 36 PHE QD 1 44 ILE MD 1.800 . 4.690 3.142 2.480 3.859 . 0 0 "[ . 1 . 2]" 1
344 1 36 PHE QE 1 44 ILE MG 1.800 . 5.000 4.156 2.759 4.949 . 0 0 "[ . 1 . 2]" 1
345 1 36 PHE H 1 36 PHE QD 1.800 . 4.710 3.013 2.248 3.183 . 0 0 "[ . 1 . 2]" 1
346 1 36 PHE H 1 36 PHE QE 1.800 . 5.730 4.576 4.028 4.826 . 0 0 "[ . 1 . 2]" 1
347 1 36 PHE H 1 37 ASN HA 1.800 . 5.530 4.659 4.534 4.783 . 0 0 "[ . 1 . 2]" 1
348 1 36 PHE H 1 37 ASN QB 1.800 . 5.300 4.256 4.085 4.459 . 0 0 "[ . 1 . 2]" 1
349 1 37 ASN QB 1 38 THR MG 1.800 . 4.850 3.023 2.647 4.371 . 0 0 "[ . 1 . 2]" 1
350 1 37 ASN QB 1 38 THR H 1.800 . 4.290 2.710 2.486 3.375 . 0 0 "[ . 1 . 2]" 1
351 1 37 ASN QD 1 38 THR MG 1.800 . 4.850 3.526 1.799 4.768 0.001 2 0 "[ . 1 . 2]" 1
352 1 37 ASN H 1 38 THR MG 1.800 . 4.250 4.077 3.618 4.366 0.116 20 0 "[ . 1 . 2]" 1
353 1 38 THR HA 1 38 THR MG 1.800 . 3.510 2.553 2.319 3.216 . 0 0 "[ . 1 . 2]" 1
354 1 38 THR MG 1 39 LYS H 1.800 . 5.280 3.689 2.209 4.025 . 0 0 "[ . 1 . 2]" 1
355 1 38 THR H 1 38 THR MG 1.800 . 4.300 2.170 1.724 2.514 0.076 6 0 "[ . 1 . 2]" 1
356 1 39 LYS HA 1 40 PRO QB 1.800 . 5.410 4.660 4.613 4.811 . 0 0 "[ . 1 . 2]" 1
357 1 39 LYS HA 1 40 PRO QD 1.800 . 3.700 2.048 2.013 2.099 . 0 0 "[ . 1 . 2]" 1
358 1 39 LYS QB 1 39 LYS QE 1.800 . 4.940 2.825 1.998 3.853 . 0 0 "[ . 1 . 2]" 1
359 1 39 LYS QB 1 40 PRO QD 1.800 . 3.860 3.001 2.262 3.777 . 0 0 "[ . 1 . 2]" 1
360 1 39 LYS QD 1 40 PRO QD 1.800 . 5.560 4.421 2.308 5.447 . 0 0 "[ . 1 . 2]" 1
361 1 39 LYS QG 1 40 PRO QD 1.800 . 4.460 3.596 2.302 4.464 0.004 11 0 "[ . 1 . 2]" 1
362 1 39 LYS H 1 39 LYS HB3 1.800 . 4.250 3.613 2.732 3.776 . 0 0 "[ . 1 . 2]" 1
363 1 39 LYS H 1 39 LYS HB2 1.800 . 4.250 2.625 2.346 2.822 . 0 0 "[ . 1 . 2]" 1
364 1 39 LYS H 1 39 LYS QG 1.800 . 4.230 2.694 1.954 4.160 . 0 0 "[ . 1 . 2]" 1
365 1 41 ILE HA 1 41 ILE MD 1.800 . 4.520 3.733 3.668 3.820 . 0 0 "[ . 1 . 2]" 1
366 1 41 ILE HA 1 44 ILE MD 1.800 . 4.050 2.451 2.060 3.380 . 0 0 "[ . 1 . 2]" 1
367 1 41 ILE HA 1 44 ILE QG 1.800 . 5.320 2.653 2.065 3.836 . 0 0 "[ . 1 . 2]" 1
368 1 41 ILE HA 1 44 ILE H 1.800 . 5.210 3.658 3.183 4.290 . 0 0 "[ . 1 . 2]" 1
369 1 41 ILE HB 1 42 GLN H 1.800 . 5.150 3.648 2.559 4.112 . 0 0 "[ . 1 . 2]" 1
370 1 41 ILE HB 1 44 ILE MD 1.800 . 5.420 4.123 3.254 5.170 . 0 0 "[ . 1 . 2]" 1
371 1 41 ILE MD 1 44 ILE MD 1.800 . 4.640 3.866 3.171 4.726 0.086 11 0 "[ . 1 . 2]" 1
372 1 41 ILE MD 1 75 ILE MG 1.800 . 3.820 3.324 2.651 3.837 0.017 4 0 "[ . 1 . 2]" 1
373 1 41 ILE MD 1 76 PHE HA 1.800 . 4.700 3.062 2.378 4.363 . 0 0 "[ . 1 . 2]" 1
374 1 41 ILE MD 1 76 PHE QD 1.800 . 4.080 2.893 2.117 4.064 . 0 0 "[ . 1 . 2]" 1
375 1 41 ILE MD 1 79 ALA MB 1.800 . 3.480 2.669 1.931 3.202 . 0 0 "[ . 1 . 2]" 1
376 1 41 ILE MD 1 80 TYR H 1.800 . 5.860 5.245 4.244 5.888 0.028 18 0 "[ . 1 . 2]" 1
377 1 41 ILE QG 1 42 GLN QB 1.800 . 5.870 5.101 4.393 5.941 0.071 16 0 "[ . 1 . 2]" 1
378 1 41 ILE HG13 1 44 ILE MD 1.800 . 5.200 2.896 2.063 3.866 . 0 0 "[ . 1 . 2]" 1
379 1 41 ILE HG12 1 44 ILE MD 1.800 . 5.200 3.406 2.293 5.095 . 0 0 "[ . 1 . 2]" 1
380 1 41 ILE MD 1 41 ILE MG 1.800 . 3.600 1.956 1.812 2.095 . 0 0 "[ . 1 . 2]" 1
381 1 41 ILE QG 1 41 ILE MG 1.800 . 3.640 2.233 2.189 2.307 . 0 0 "[ . 1 . 2]" 1
382 1 41 ILE MG 1 42 GLN HA 1.800 . 4.630 3.205 3.030 3.526 . 0 0 "[ . 1 . 2]" 1
383 1 41 ILE MG 1 42 GLN QB 1.800 . 4.530 3.535 2.845 4.824 0.294 16 0 "[ . 1 . 2]" 1
384 1 41 ILE MG 1 42 GLN QG 1.800 . 4.720 3.814 2.228 4.908 0.188 15 0 "[ . 1 . 2]" 1
385 1 41 ILE MG 1 42 GLN H 1.800 . 3.790 2.421 1.896 3.631 . 0 0 "[ . 1 . 2]" 1
386 1 41 ILE MG 1 85 ILE MG 1.800 . 3.630 2.301 2.022 3.071 . 0 0 "[ . 1 . 2]" 1
387 1 41 ILE H 1 41 ILE MG 1.800 . 4.580 2.487 1.877 3.760 . 0 0 "[ . 1 . 2]" 1
388 1 42 GLN HA 1 44 ILE H 1.800 . 5.210 3.636 3.239 3.947 . 0 0 "[ . 1 . 2]" 1
389 1 42 GLN HA 1 85 ILE MG 1.800 . 3.900 3.250 2.122 3.926 0.026 1 0 "[ . 1 . 2]" 1
390 1 42 GLN QB 1 43 THR HA 1.800 . 5.320 4.265 4.035 4.594 . 0 0 "[ . 1 . 2]" 1
391 1 42 GLN QB 1 85 ILE MG 1.800 . 3.800 3.053 2.256 3.870 0.070 14 0 "[ . 1 . 2]" 1
392 1 42 GLN QG 1 43 THR MG 1.800 . 5.200 4.135 2.172 5.452 0.252 9 0 "[ . 1 . 2]" 1
393 1 42 GLN QG 1 43 THR H 1.800 . 5.230 3.750 2.403 4.318 . 0 0 "[ . 1 . 2]" 1
394 1 42 GLN QG 1 85 ILE MG 1.800 . 4.130 3.290 1.976 4.174 0.044 15 0 "[ . 1 . 2]" 1
395 1 42 GLN H 1 42 GLN QB 1.800 . 3.760 2.364 2.208 2.698 . 0 0 "[ . 1 . 2]" 1
396 1 42 GLN H 1 42 GLN HG3 1.800 . 4.680 3.482 2.000 4.662 . 0 0 "[ . 1 . 2]" 1
397 1 42 GLN H 1 42 GLN HG2 1.800 . 4.680 3.589 1.794 4.660 0.006 3 0 "[ . 1 . 2]" 1
398 1 42 GLN H 1 43 THR MG 1.800 . 5.040 4.218 3.793 4.598 . 0 0 "[ . 1 . 2]" 1
399 1 42 GLN H 1 43 THR H 1.800 . 4.200 2.700 2.599 2.810 . 0 0 "[ . 1 . 2]" 1
400 1 42 GLN H 1 85 ILE MG 1.800 . 4.730 3.512 2.814 3.990 . 0 0 "[ . 1 . 2]" 1
401 1 43 THR HA 1 43 THR MG 1.800 . 3.530 2.529 2.236 3.211 . 0 0 "[ . 1 . 2]" 1
402 1 43 THR HA 1 44 ILE HA 1.800 . 5.670 4.724 4.669 4.767 . 0 0 "[ . 1 . 2]" 1
403 1 43 THR MG 1 44 ILE H 1.800 . 5.010 3.866 2.439 4.323 . 0 0 "[ . 1 . 2]" 1
404 1 43 THR H 1 43 THR HG1 1.800 . 4.920 2.353 1.922 2.675 . 0 0 "[ . 1 . 2]" 1
405 1 43 THR H 1 43 THR MG 1.800 . 4.110 2.518 2.016 2.824 . 0 0 "[ . 1 . 2]" 1
406 1 43 THR H 1 44 ILE H 1.800 . 3.860 2.443 2.223 2.764 . 0 0 "[ . 1 . 2]" 1
407 1 44 ILE HA 1 44 ILE MD 1.800 . 5.200 3.515 2.225 3.820 . 0 0 "[ . 1 . 2]" 1
408 1 44 ILE HA 1 45 LYS HA 1.800 . 5.090 4.461 4.431 4.487 . 0 0 "[ . 1 . 2]" 1
409 1 44 ILE HA 1 45 LYS QG 1.800 . 4.860 3.635 3.257 3.987 . 0 0 "[ . 1 . 2]" 1
410 1 44 ILE HA 1 45 LYS H 1.800 . 3.500 2.163 2.131 2.181 . 0 0 "[ . 1 . 2]" 1
411 1 44 ILE HA 1 48 ASP QB 1.800 . 5.630 3.074 2.354 3.697 . 0 0 "[ . 1 . 2]" 1
412 1 44 ILE HB 1 45 LYS H 1.800 . 4.840 4.267 4.203 4.361 . 0 0 "[ . 1 . 2]" 1
413 1 44 ILE MD 1 48 ASP QB 1.800 . 5.260 4.384 2.468 5.284 0.024 10 0 "[ . 1 . 2]" 1
414 1 44 ILE MD 1 76 PHE QB 1.800 . 5.970 5.506 3.898 5.970 0.000 15 0 "[ . 1 . 2]" 1
415 1 44 ILE MD 1 76 PHE QD 1.800 . 4.490 4.129 3.309 4.536 0.046 19 0 "[ . 1 . 2]" 1
416 1 44 ILE MD 1 44 ILE MG 1.800 . 3.760 2.002 1.866 3.245 . 0 0 "[ . 1 . 2]" 1
417 1 44 ILE MG 1 45 LYS HA 1.800 . 5.090 3.755 3.307 3.903 . 0 0 "[ . 1 . 2]" 1
418 1 44 ILE MG 1 45 LYS H 1.800 . 4.390 2.684 2.449 2.868 . 0 0 "[ . 1 . 2]" 1
419 1 44 ILE MG 1 48 ASP QB 1.800 . 3.880 2.479 2.078 3.195 . 0 0 "[ . 1 . 2]" 1
420 1 44 ILE MG 1 48 ASP H 1.800 . 4.880 4.417 4.059 4.918 0.038 3 0 "[ . 1 . 2]" 1
421 1 44 ILE MG 1 49 TYR QB 1.800 . 4.720 2.974 2.337 3.509 . 0 0 "[ . 1 . 2]" 1
422 1 44 ILE MG 1 49 TYR H 1.800 . 4.770 3.384 2.888 3.829 . 0 0 "[ . 1 . 2]" 1
423 1 44 ILE H 1 44 ILE HB 1.800 . 3.610 2.435 2.334 2.463 . 0 0 "[ . 1 . 2]" 1
424 1 44 ILE H 1 44 ILE MD 1.800 . 4.430 3.539 1.871 3.870 . 0 0 "[ . 1 . 2]" 1
425 1 44 ILE H 1 44 ILE QG 1.800 . 4.510 2.430 2.271 3.450 . 0 0 "[ . 1 . 2]" 1
426 1 44 ILE H 1 44 ILE MG 1.800 . 4.270 3.777 3.726 3.795 . 0 0 "[ . 1 . 2]" 1
427 1 45 LYS HA 1 45 LYS QD 1.800 . 4.600 4.117 3.543 4.444 . 0 0 "[ . 1 . 2]" 1
428 1 45 LYS HA 1 48 ASP QB 1.800 . 5.670 4.477 4.272 4.906 . 0 0 "[ . 1 . 2]" 1
429 1 45 LYS QB 1 46 LYS H 1.800 . 4.470 2.102 1.720 2.528 0.080 2 0 "[ . 1 . 2]" 1
430 1 45 LYS QB 1 47 HIS H 1.800 . 4.590 2.812 2.464 3.401 . 0 0 "[ . 1 . 2]" 1
431 1 45 LYS QB 1 48 ASP H 1.800 . 4.170 3.235 2.449 4.305 0.135 2 0 "[ . 1 . 2]" 1
432 1 45 LYS QD 1 48 ASP H 1.800 . 5.560 4.397 3.500 5.513 . 0 0 "[ . 1 . 2]" 1
433 1 45 LYS QE 1 48 ASP H 1.800 . 4.400 3.871 2.941 4.464 0.064 8 0 "[ . 1 . 2]" 1
434 1 45 LYS H 1 45 LYS QD 1.800 . 4.940 4.014 1.972 4.672 . 0 0 "[ . 1 . 2]" 1
435 1 45 LYS H 1 45 LYS QE 1.800 . 4.710 4.197 2.999 4.848 0.138 3 0 "[ . 1 . 2]" 1
436 1 45 LYS H 1 45 LYS QG 1.800 . 4.270 2.336 1.769 2.920 0.031 1 0 "[ . 1 . 2]" 1
437 1 46 LYS HA 1 49 TYR HB3 1.800 . 4.300 2.677 2.301 3.133 . 0 0 "[ . 1 . 2]" 1
438 1 46 LYS HA 1 49 TYR HB2 1.800 . 4.300 3.373 3.045 3.881 . 0 0 "[ . 1 . 2]" 1
439 1 46 LYS HA 1 49 TYR QD 1.800 . 5.900 4.199 3.513 4.826 . 0 0 "[ . 1 . 2]" 1
440 1 46 LYS HA 1 49 TYR H 1.800 . 4.600 3.475 3.267 3.707 . 0 0 "[ . 1 . 2]" 1
441 1 46 LYS HA 1 93 ILE MD 1.800 . 4.890 3.924 2.455 4.731 . 0 0 "[ . 1 . 2]" 1
442 1 46 LYS QB 1 46 LYS QE 1.800 . 4.170 3.308 2.141 3.794 . 0 0 "[ . 1 . 2]" 1
443 1 46 LYS H 1 46 LYS QD 1.800 . 5.220 3.691 1.721 4.410 0.079 8 0 "[ . 1 . 2]" 1
444 1 46 LYS H 1 47 HIS H 1.800 . 5.380 2.695 2.596 2.764 . 0 0 "[ . 1 . 2]" 1
445 1 47 HIS HA 1 50 GLN QB 1.800 . 4.070 2.979 2.724 3.303 . 0 0 "[ . 1 . 2]" 1
446 1 47 HIS HA 1 50 GLN H 1.800 . 4.790 3.606 3.494 3.793 . 0 0 "[ . 1 . 2]" 1
447 1 47 HIS HA 1 51 ARG H 1.800 . 5.000 4.304 4.000 4.561 . 0 0 "[ . 1 . 2]" 1
448 1 47 HIS QB 1 48 ASP H 1.800 . 3.860 2.443 2.342 2.617 . 0 0 "[ . 1 . 2]" 1
449 1 47 HIS H 1 48 ASP H 1.800 . 4.600 2.715 2.622 2.793 . 0 0 "[ . 1 . 2]" 1
450 1 48 ASP HA 1 51 ARG QB 1.800 . 4.300 2.590 2.365 2.765 . 0 0 "[ . 1 . 2]" 1
451 1 48 ASP HA 1 51 ARG QD 1.800 . 4.820 3.792 2.482 4.961 0.141 3 0 "[ . 1 . 2]" 1
452 1 48 ASP HA 1 51 ARG QG 1.800 . 4.720 4.502 3.529 4.790 0.070 10 0 "[ . 1 . 2]" 1
453 1 48 ASP HA 1 51 ARG H 1.800 . 4.600 3.411 3.308 3.513 . 0 0 "[ . 1 . 2]" 1
454 1 48 ASP QB 1 49 TYR H 1.800 . 4.570 2.583 2.471 2.697 . 0 0 "[ . 1 . 2]" 1
455 1 48 ASP H 1 48 ASP QB 1.800 . 3.550 2.277 2.217 2.349 . 0 0 "[ . 1 . 2]" 1
456 1 48 ASP H 1 49 TYR H 1.800 . 3.690 2.639 2.561 2.713 . 0 0 "[ . 1 . 2]" 1
457 1 49 TYR HA 1 49 TYR QD 1.800 . 4.350 2.673 2.279 3.038 . 0 0 "[ . 1 . 2]" 1
458 1 49 TYR HA 1 52 PHE QB 1.800 . 4.720 2.941 2.713 3.165 . 0 0 "[ . 1 . 2]" 1
459 1 49 TYR HA 1 52 PHE H 1.800 . 4.600 3.550 3.459 3.678 . 0 0 "[ . 1 . 2]" 1
460 1 49 TYR QB 1 93 ILE MG 1.800 . 6.000 5.415 4.098 6.048 0.048 18 0 "[ . 1 . 2]" 1
461 1 49 TYR HB3 1 50 GLN H 1.800 . 5.170 2.485 2.399 2.537 . 0 0 "[ . 1 . 2]" 1
462 1 49 TYR HB3 1 93 ILE MD 1.800 . 5.200 3.499 2.478 4.062 . 0 0 "[ . 1 . 2]" 1
463 1 49 TYR HB2 1 50 GLN H 1.800 . 5.170 3.836 3.715 3.888 . 0 0 "[ . 1 . 2]" 1
464 1 49 TYR HB2 1 93 ILE MD 1.800 . 5.200 4.667 3.441 5.224 0.024 19 0 "[ . 1 . 2]" 1
465 1 49 TYR QD 1 90 SER HA 1.800 . 4.070 3.979 3.716 4.313 0.243 3 0 "[ . 1 . 2]" 1
466 1 49 TYR QD 1 90 SER QB 1.800 . 4.830 3.884 2.488 4.831 0.001 12 0 "[ . 1 . 2]" 1
467 1 49 TYR QD 1 93 ILE MD 1.800 . 4.180 2.257 2.057 2.860 . 0 0 "[ . 1 . 2]" 1
468 1 49 TYR QD 1 93 ILE QG 1.800 . 4.300 3.862 2.751 4.300 . 0 0 "[ . 1 . 2]" 1
469 1 49 TYR QD 1 93 ILE MG 1.800 . 4.720 4.001 3.333 4.724 0.004 9 0 "[ . 1 . 2]" 1
470 1 49 TYR QE 1 52 PHE QD 1.800 . 4.790 4.275 3.723 4.791 0.001 18 0 "[ . 1 . 2]" 1
471 1 49 TYR QE 1 53 VAL MG2 1.800 . 4.700 2.810 2.243 3.318 . 0 0 "[ . 1 . 2]" 1
472 1 49 TYR QE 1 69 VAL MG1 1.800 . 4.720 3.445 3.031 3.680 . 0 0 "[ . 1 . 2]" 1
473 1 49 TYR QE 1 72 THR MG 1.800 . 3.970 2.531 2.088 3.675 . 0 0 "[ . 1 . 2]" 1
474 1 49 TYR QE 1 90 SER HA 1.800 . 4.800 4.401 3.572 4.847 0.047 20 0 "[ . 1 . 2]" 1
475 1 49 TYR QE 1 90 SER QB 1.800 . 4.300 3.572 2.330 4.346 0.046 16 0 "[ . 1 . 2]" 1
476 1 49 TYR H 1 49 TYR HB3 1.800 . 4.020 2.516 2.448 2.629 . 0 0 "[ . 1 . 2]" 1
477 1 49 TYR H 1 49 TYR HB2 1.800 . 4.020 2.573 2.449 2.642 . 0 0 "[ . 1 . 2]" 1
478 1 49 TYR H 1 50 GLN H 1.800 . 4.230 2.733 2.695 2.769 . 0 0 "[ . 1 . 2]" 1
479 1 50 GLN HA 1 50 GLN QE 1.800 . 4.110 2.772 2.014 3.533 . 0 0 "[ . 1 . 2]" 1
480 1 50 GLN HA 1 50 GLN HE21 1.800 . 4.920 2.950 2.042 4.046 . 0 0 "[ . 1 . 2]" 1
481 1 50 GLN HA 1 50 GLN HE22 1.800 . 4.920 3.494 3.014 4.242 . 0 0 "[ . 1 . 2]" 1
482 1 50 GLN HA 1 50 GLN QG 1.800 . 3.950 2.710 2.309 3.021 . 0 0 "[ . 1 . 2]" 1
483 1 50 GLN HA 1 53 VAL HB 1.800 . 4.060 2.848 2.691 3.154 . 0 0 "[ . 1 . 2]" 1
484 1 50 GLN HA 1 53 VAL MG2 1.800 . 4.320 2.946 2.419 3.375 . 0 0 "[ . 1 . 2]" 1
485 1 50 GLN HA 1 53 VAL H 1.800 . 4.680 3.450 3.272 3.676 . 0 0 "[ . 1 . 2]" 1
486 1 50 GLN HA 1 54 ASP H 1.800 . 5.000 4.236 4.102 4.441 . 0 0 "[ . 1 . 2]" 1
487 1 50 GLN HA 1 93 ILE MD 1.800 . 4.050 3.762 3.031 4.085 0.035 13 0 "[ . 1 . 2]" 1
488 1 50 GLN HA 1 93 ILE MG 1.800 . 4.700 4.261 3.286 4.747 0.047 9 0 "[ . 1 . 2]" 1
489 1 50 GLN QB 1 51 ARG H 1.800 . 3.740 2.605 2.538 2.686 . 0 0 "[ . 1 . 2]" 1
490 1 50 GLN QB 1 93 ILE MD 1.800 . 4.300 3.563 2.185 4.386 0.086 17 0 "[ . 1 . 2]" 1
491 1 50 GLN QE 1 53 VAL MG1 1.800 . 4.460 3.411 2.864 3.924 . 0 0 "[ . 1 . 2]" 1
492 1 50 GLN QE 1 54 ASP H 1.800 . 5.630 4.694 3.123 5.687 0.057 17 0 "[ . 1 . 2]" 1
493 1 50 GLN QE 1 93 ILE MD 1.800 . 4.850 3.095 1.766 4.643 0.034 3 0 "[ . 1 . 2]" 1
494 1 50 GLN QE 1 93 ILE MG 1.800 . 4.380 2.511 1.761 3.874 0.039 14 0 "[ . 1 . 2]" 1
495 1 50 GLN HE21 1 53 VAL MG1 1.800 . 5.120 4.198 3.179 5.191 0.071 5 0 "[ . 1 . 2]" 1
496 1 50 GLN HE21 1 93 ILE MD 1.800 . 5.600 3.464 1.800 5.646 0.046 20 0 "[ . 1 . 2]" 1
497 1 50 GLN HE22 1 53 VAL MG1 1.800 . 5.120 3.643 3.243 4.326 . 0 0 "[ . 1 . 2]" 1
498 1 50 GLN HE22 1 93 ILE MD 1.800 . 5.600 3.852 2.282 5.634 0.034 18 0 "[ . 1 . 2]" 1
499 1 50 GLN H 1 50 GLN QG 1.800 . 4.620 3.547 2.378 4.081 . 0 0 "[ . 1 . 2]" 1
500 1 50 GLN H 1 51 ARG H 1.800 . 4.400 2.636 2.572 2.694 . 0 0 "[ . 1 . 2]" 1
501 1 50 GLN H 1 93 ILE MD 1.800 . 4.690 4.085 2.966 4.729 0.039 10 0 "[ . 1 . 2]" 1
502 1 51 ARG HA 1 51 ARG QD 1.800 . 4.590 3.881 2.265 4.197 . 0 0 "[ . 1 . 2]" 1
503 1 51 ARG HA 1 54 ASP QB 1.800 . 4.200 2.914 2.683 3.924 . 0 0 "[ . 1 . 2]" 1
504 1 51 ARG HA 1 54 ASP H 1.800 . 4.000 3.602 3.478 3.736 . 0 0 "[ . 1 . 2]" 1
505 1 51 ARG QB 1 51 ARG QD 1.800 . 3.520 2.255 2.126 2.323 . 0 0 "[ . 1 . 2]" 1
506 1 51 ARG QB 1 52 PHE H 1.800 . 4.260 2.480 2.384 2.615 . 0 0 "[ . 1 . 2]" 1
507 1 51 ARG QG 1 52 PHE H 1.800 . 5.090 3.672 3.574 4.371 . 0 0 "[ . 1 . 2]" 1
508 1 51 ARG H 1 51 ARG QB 1.800 . 3.600 2.262 2.137 2.360 . 0 0 "[ . 1 . 2]" 1
509 1 51 ARG H 1 51 ARG QD 1.800 . 4.700 4.519 3.704 4.711 0.011 6 0 "[ . 1 . 2]" 1
510 1 51 ARG H 1 51 ARG QG 1.800 . 4.180 3.892 2.328 4.071 . 0 0 "[ . 1 . 2]" 1
511 1 51 ARG H 1 52 PHE H 1.800 . 4.080 2.712 2.635 2.753 . 0 0 "[ . 1 . 2]" 1
512 1 52 PHE HA 1 52 PHE QD 1.800 . 3.930 2.430 2.321 2.612 . 0 0 "[ . 1 . 2]" 1
513 1 52 PHE HA 1 55 ASP HB3 1.800 . 4.230 3.176 2.471 4.031 . 0 0 "[ . 1 . 2]" 1
514 1 52 PHE HA 1 55 ASP HB2 1.800 . 4.730 2.874 2.371 3.408 . 0 0 "[ . 1 . 2]" 1
515 1 52 PHE HA 1 55 ASP H 1.800 . 3.930 3.413 3.260 3.557 . 0 0 "[ . 1 . 2]" 1
516 1 52 PHE HA 1 56 ILE MG 1.800 . 5.180 4.002 3.783 4.224 . 0 0 "[ . 1 . 2]" 1
517 1 52 PHE QB 1 53 VAL H 1.800 . 4.110 2.517 2.432 2.796 . 0 0 "[ . 1 . 2]" 1
518 1 52 PHE QB 1 56 ILE MG 1.800 . 5.250 4.520 4.379 4.776 . 0 0 "[ . 1 . 2]" 1
519 1 52 PHE QD 1 53 VAL MG2 1.800 . 4.420 3.039 2.802 3.404 . 0 0 "[ . 1 . 2]" 1
520 1 52 PHE QD 1 53 VAL H 1.800 . 4.650 3.529 3.330 3.852 . 0 0 "[ . 1 . 2]" 1
521 1 52 PHE QD 1 56 ILE MD 1.800 . 4.360 3.610 3.381 3.898 . 0 0 "[ . 1 . 2]" 1
522 1 52 PHE QD 1 56 ILE MG 1.800 . 4.300 3.416 3.138 3.763 . 0 0 "[ . 1 . 2]" 1
523 1 52 PHE QE 1 56 ILE MG 1.800 . 4.290 2.792 2.494 3.120 . 0 0 "[ . 1 . 2]" 1
524 1 52 PHE QE 1 68 ILE MG 1.800 . 4.430 2.632 2.137 3.261 . 0 0 "[ . 1 . 2]" 1
525 1 52 PHE QE 1 72 THR MG 1.800 . 4.550 2.885 2.240 4.024 . 0 0 "[ . 1 . 2]" 1
526 1 52 PHE H 1 52 PHE HB3 1.800 . 3.870 2.479 2.426 2.540 . 0 0 "[ . 1 . 2]" 1
527 1 52 PHE H 1 52 PHE HB2 1.800 . 3.870 2.618 2.546 2.694 . 0 0 "[ . 1 . 2]" 1
528 1 52 PHE H 1 52 PHE QD 1.800 . 4.850 4.200 4.189 4.208 . 0 0 "[ . 1 . 2]" 1
529 1 52 PHE H 1 53 VAL H 1.800 . 3.940 2.728 2.569 2.770 . 0 0 "[ . 1 . 2]" 1
530 1 52 PHE HZ 1 56 ILE MG 1.800 . 4.690 2.726 2.294 3.014 . 0 0 "[ . 1 . 2]" 1
531 1 52 PHE HZ 1 68 ILE MG 1.800 . 4.580 3.273 2.608 4.533 . 0 0 "[ . 1 . 2]" 1
532 1 52 PHE HZ 1 72 THR MG 1.800 . 6.020 4.586 3.534 6.015 . 0 0 "[ . 1 . 2]" 1
533 1 53 VAL HA 1 53 VAL MG1 1.800 . 4.180 2.376 2.357 2.399 . 0 0 "[ . 1 . 2]" 1
534 1 53 VAL HA 1 53 VAL MG2 1.800 . 4.020 2.330 2.252 2.391 . 0 0 "[ . 1 . 2]" 1
535 1 53 VAL HA 1 56 ILE HB 1.800 . 5.150 5.117 5.083 5.154 0.004 14 0 "[ . 1 . 2]" 1
536 1 53 VAL HA 1 56 ILE MD 1.800 . 4.270 2.409 2.304 2.560 . 0 0 "[ . 1 . 2]" 1
537 1 53 VAL HA 1 56 ILE QG 1.800 . 4.100 2.272 2.253 2.288 . 0 0 "[ . 1 . 2]" 1
538 1 53 VAL HA 1 56 ILE MG 1.800 . 4.620 3.835 3.781 3.936 . 0 0 "[ . 1 . 2]" 1
539 1 53 VAL HA 1 56 ILE H 1.800 . 4.750 3.726 3.664 3.779 . 0 0 "[ . 1 . 2]" 1
540 1 53 VAL HA 1 57 SER H 1.800 . 5.000 4.350 4.230 4.456 . 0 0 "[ . 1 . 2]" 1
541 1 53 VAL HB 1 54 ASP H 1.800 . 3.970 2.484 2.449 2.545 . 0 0 "[ . 1 . 2]" 1
542 1 53 VAL MG1 1 54 ASP HA 1.800 . 4.720 3.349 3.296 3.382 . 0 0 "[ . 1 . 2]" 1
543 1 53 VAL MG1 1 54 ASP H 1.800 . 4.330 3.241 3.195 3.283 . 0 0 "[ . 1 . 2]" 1
544 1 53 VAL MG1 1 55 ASP H 1.800 . 5.740 4.877 4.787 4.919 . 0 0 "[ . 1 . 2]" 1
545 1 53 VAL MG1 1 56 ILE MD 1.800 . 4.590 3.056 2.886 3.162 . 0 0 "[ . 1 . 2]" 1
546 1 53 VAL MG1 1 56 ILE QG 1.800 . 5.180 3.315 3.239 3.390 . 0 0 "[ . 1 . 2]" 1
547 1 53 VAL MG1 1 57 SER H 1.800 . 5.020 4.289 4.174 4.374 . 0 0 "[ . 1 . 2]" 1
548 1 53 VAL MG2 1 54 ASP H 1.800 . 4.550 3.847 3.813 3.891 . 0 0 "[ . 1 . 2]" 1
549 1 53 VAL MG2 1 56 ILE QG 1.800 . 5.350 3.996 3.927 4.063 . 0 0 "[ . 1 . 2]" 1
550 1 53 VAL MG2 1 69 VAL MG1 1.800 . 4.800 3.425 3.112 3.807 . 0 0 "[ . 1 . 2]" 1
551 1 53 VAL MG2 1 69 VAL MG2 1.800 . 3.640 2.306 2.154 2.576 . 0 0 "[ . 1 . 2]" 1
552 1 53 VAL MG2 1 93 ILE MG 1.800 . 4.600 4.142 2.699 4.689 0.089 1 0 "[ . 1 . 2]" 1
553 1 53 VAL H 1 53 VAL HB 1.800 . 3.790 2.465 2.432 2.499 . 0 0 "[ . 1 . 2]" 1
554 1 53 VAL H 1 53 VAL MG1 1.800 . 4.350 3.762 3.752 3.774 . 0 0 "[ . 1 . 2]" 1
555 1 53 VAL H 1 53 VAL MG2 1.800 . 3.670 2.129 2.033 2.210 . 0 0 "[ . 1 . 2]" 1
556 1 53 VAL H 1 54 ASP H 1.800 . 3.820 2.766 2.715 2.842 . 0 0 "[ . 1 . 2]" 1
557 1 54 ASP HA 1 57 SER HB2 1.800 . 4.300 3.298 2.345 4.013 . 0 0 "[ . 1 . 2]" 1
558 1 54 ASP HA 1 57 SER H 1.800 . 4.600 3.341 3.218 3.450 . 0 0 "[ . 1 . 2]" 1
559 1 54 ASP QB 1 55 ASP H 1.800 . 4.350 2.699 2.596 3.457 . 0 0 "[ . 1 . 2]" 1
560 1 54 ASP H 1 54 ASP QB 1.800 . 3.600 2.287 2.221 2.410 . 0 0 "[ . 1 . 2]" 1
561 1 54 ASP H 1 55 ASP H 1.800 . 4.050 2.608 2.518 2.673 . 0 0 "[ . 1 . 2]" 1
562 1 55 ASP HA 1 58 ALA MB 1.800 . 3.980 3.564 3.179 3.904 . 0 0 "[ . 1 . 2]" 1
563 1 55 ASP HA 1 58 ALA H 1.800 . 5.080 3.879 3.681 4.118 . 0 0 "[ . 1 . 2]" 1
564 1 55 ASP QB 1 56 ILE HA 1.800 . 5.270 4.067 3.886 4.259 . 0 0 "[ . 1 . 2]" 1
565 1 55 ASP QB 1 56 ILE MG 1.800 . 4.700 2.967 2.919 3.021 . 0 0 "[ . 1 . 2]" 1
566 1 55 ASP HB3 1 56 ILE H 1.800 . 4.950 2.824 2.373 3.461 . 0 0 "[ . 1 . 2]" 1
567 1 55 ASP HB2 1 56 ILE H 1.800 . 4.950 3.286 2.481 3.870 . 0 0 "[ . 1 . 2]" 1
568 1 55 ASP H 1 55 ASP QB 1.800 . 3.600 2.297 2.232 2.369 . 0 0 "[ . 1 . 2]" 1
569 1 55 ASP H 1 56 ILE H 1.800 . 5.000 2.783 2.664 2.831 . 0 0 "[ . 1 . 2]" 1
570 1 56 ILE HA 1 56 ILE MD 1.800 . 4.610 4.140 4.132 4.149 . 0 0 "[ . 1 . 2]" 1
571 1 56 ILE HA 1 56 ILE MG 1.800 . 3.610 2.304 2.267 2.334 . 0 0 "[ . 1 . 2]" 1
572 1 56 ILE HA 1 58 ALA H 1.800 . 4.290 4.114 3.896 4.265 . 0 0 "[ . 1 . 2]" 1
573 1 56 ILE HA 1 59 GLN QB 1.800 . 4.950 2.350 2.304 2.555 . 0 0 "[ . 1 . 2]" 1
574 1 56 ILE HA 1 59 GLN H 1.800 . 4.480 3.195 3.088 3.272 . 0 0 "[ . 1 . 2]" 1
575 1 56 ILE HA 1 60 TYR QD 1.800 . 4.380 2.677 2.327 3.297 . 0 0 "[ . 1 . 2]" 1
576 1 56 ILE HA 1 60 TYR QE 1.800 . 4.860 3.728 3.428 4.320 . 0 0 "[ . 1 . 2]" 1
577 1 56 ILE HA 1 65 VAL MG2 1.800 . 5.250 4.886 4.622 5.260 0.010 18 0 "[ . 1 . 2]" 1
578 1 56 ILE HB 1 57 SER HA 1.800 . 5.080 4.583 4.527 4.627 . 0 0 "[ . 1 . 2]" 1
579 1 56 ILE HB 1 57 SER H 1.800 . 5.020 3.942 3.834 3.988 . 0 0 "[ . 1 . 2]" 1
580 1 56 ILE HB 1 60 TYR QD 1.800 . 4.310 2.491 2.330 2.973 . 0 0 "[ . 1 . 2]" 1
581 1 56 ILE HB 1 60 TYR QE 1.800 . 4.620 3.968 3.584 4.509 . 0 0 "[ . 1 . 2]" 1
582 1 56 ILE HB 1 60 TYR H 1.800 . 5.650 4.430 4.298 4.771 . 0 0 "[ . 1 . 2]" 1
583 1 56 ILE HB 1 65 VAL MG2 1.800 . 4.150 3.632 3.315 4.133 . 0 0 "[ . 1 . 2]" 1
584 1 56 ILE HB 1 68 ILE MD 1.800 . 5.070 2.790 2.401 3.483 . 0 0 "[ . 1 . 2]" 1
585 1 56 ILE MD 1 57 SER HA 1.800 . 5.210 4.616 4.557 4.656 . 0 0 "[ . 1 . 2]" 1
586 1 56 ILE MD 1 57 SER H 1.800 . 5.180 4.026 3.880 4.100 . 0 0 "[ . 1 . 2]" 1
587 1 56 ILE MD 1 60 TYR QD 1.800 . 5.040 4.251 4.030 4.607 . 0 0 "[ . 1 . 2]" 1
588 1 56 ILE MD 1 65 VAL HA 1.800 . 4.590 2.793 2.453 3.302 . 0 0 "[ . 1 . 2]" 1
589 1 56 ILE MD 1 65 VAL MG1 1.800 . 3.630 2.522 2.174 3.283 . 0 0 "[ . 1 . 2]" 1
590 1 56 ILE MD 1 65 VAL MG2 1.800 . 4.220 2.891 2.677 3.171 . 0 0 "[ . 1 . 2]" 1
591 1 56 ILE MD 1 68 ILE HB 1.800 . 4.520 2.560 2.320 3.097 . 0 0 "[ . 1 . 2]" 1
592 1 56 ILE MD 1 68 ILE MD 1.800 . 3.810 2.169 2.040 2.343 . 0 0 "[ . 1 . 2]" 1
593 1 56 ILE MD 1 68 ILE MG 1.800 . 3.600 2.039 1.908 2.237 . 0 0 "[ . 1 . 2]" 1
594 1 56 ILE MD 1 69 VAL MG2 1.800 . 3.860 2.899 2.513 3.569 . 0 0 "[ . 1 . 2]" 1
595 1 56 ILE MD 1 69 VAL H 1.800 . 5.300 3.992 3.665 4.647 . 0 0 "[ . 1 . 2]" 1
596 1 56 ILE QG 1 57 SER H 1.800 . 3.880 2.287 2.127 2.362 . 0 0 "[ . 1 . 2]" 1
597 1 56 ILE MD 1 56 ILE MG 1.800 . 3.400 1.935 1.847 2.045 . 0 0 "[ . 1 . 2]" 1
598 1 56 ILE MG 1 57 SER H 1.800 . 4.890 3.980 3.927 4.029 . 0 0 "[ . 1 . 2]" 1
599 1 56 ILE MG 1 60 TYR QD 1.800 . 4.400 3.420 3.049 3.736 . 0 0 "[ . 1 . 2]" 1
600 1 56 ILE MG 1 60 TYR QE 1.800 . 4.130 3.483 3.207 4.092 . 0 0 "[ . 1 . 2]" 1
601 1 56 ILE MG 1 65 VAL MG2 1.800 . 5.000 4.560 4.385 4.931 . 0 0 "[ . 1 . 2]" 1
602 1 56 ILE MG 1 68 ILE MD 1.800 . 4.040 3.075 2.763 3.825 . 0 0 "[ . 1 . 2]" 1
603 1 56 ILE MG 1 68 ILE MG 1.800 . 4.000 2.873 2.301 3.852 . 0 0 "[ . 1 . 2]" 1
604 1 56 ILE H 1 56 ILE MD 1.800 . 4.620 3.604 3.579 3.628 . 0 0 "[ . 1 . 2]" 1
605 1 56 ILE H 1 56 ILE QG 1.800 . 3.870 1.910 1.861 1.969 . 0 0 "[ . 1 . 2]" 1
606 1 56 ILE H 1 56 ILE MG 1.800 . 3.890 2.237 2.179 2.322 . 0 0 "[ . 1 . 2]" 1
607 1 56 ILE H 1 57 SER H 1.800 . 4.050 2.493 2.428 2.573 . 0 0 "[ . 1 . 2]" 1
608 1 57 SER HA 1 58 ALA H 1.800 . 3.860 3.530 3.507 3.560 . 0 0 "[ . 1 . 2]" 1
609 1 57 SER HA 1 60 TYR QB 1.800 . 5.870 3.688 3.470 3.965 . 0 0 "[ . 1 . 2]" 1
610 1 57 SER HA 1 60 TYR H 1.800 . 4.850 3.305 3.184 3.535 . 0 0 "[ . 1 . 2]" 1
611 1 57 SER HA 1 65 VAL MG2 1.800 . 3.410 2.125 2.048 2.293 . 0 0 "[ . 1 . 2]" 1
612 1 57 SER QB 1 65 VAL MG1 1.800 . 4.060 3.438 2.916 4.125 0.065 17 0 "[ . 1 . 2]" 1
613 1 57 SER QB 1 65 VAL MG2 1.800 . 5.320 2.863 2.302 3.280 . 0 0 "[ . 1 . 2]" 1
614 1 57 SER H 1 58 ALA MB 1.800 . 5.080 4.383 4.322 4.452 . 0 0 "[ . 1 . 2]" 1
615 1 57 SER H 1 58 ALA H 1.800 . 3.990 2.662 2.586 2.730 . 0 0 "[ . 1 . 2]" 1
616 1 58 ALA MB 1 59 GLN H 1.800 . 3.850 3.098 3.041 3.142 . 0 0 "[ . 1 . 2]" 1
617 1 58 ALA H 1 58 ALA MB 1.800 . 3.600 2.258 2.198 2.307 . 0 0 "[ . 1 . 2]" 1
618 1 58 ALA H 1 59 GLN QG 1.800 . 4.510 3.984 3.778 4.120 . 0 0 "[ . 1 . 2]" 1
619 1 58 ALA H 1 65 VAL MG2 1.800 . 5.460 4.904 4.689 5.130 . 0 0 "[ . 1 . 2]" 1
620 1 59 GLN HA 1 59 GLN QG 1.800 . 3.720 2.466 2.318 2.897 . 0 0 "[ . 1 . 2]" 1
621 1 59 GLN QB 1 59 GLN QE 1.800 . 5.100 3.255 1.785 3.653 0.015 15 0 "[ . 1 . 2]" 1
622 1 59 GLN QB 1 60 TYR QD 1.800 . 4.220 2.396 2.258 2.697 . 0 0 "[ . 1 . 2]" 1
623 1 59 GLN QB 1 60 TYR QE 1.800 . 4.190 2.771 2.650 3.075 . 0 0 "[ . 1 . 2]" 1
624 1 59 GLN QB 1 60 TYR H 1.800 . 3.950 2.990 2.853 3.062 . 0 0 "[ . 1 . 2]" 1
625 1 59 GLN QG 1 60 TYR H 1.800 . 4.610 4.208 4.156 4.254 . 0 0 "[ . 1 . 2]" 1
626 1 59 GLN H 1 59 GLN QB 1.800 . 3.600 2.456 2.418 2.504 . 0 0 "[ . 1 . 2]" 1
627 1 59 GLN H 1 59 GLN QG 1.800 . 3.820 2.762 2.595 2.891 . 0 0 "[ . 1 . 2]" 1
628 1 59 GLN H 1 60 TYR H 1.800 . 3.430 1.981 1.923 2.087 . 0 0 "[ . 1 . 2]" 1
629 1 59 GLN H 1 65 VAL MG2 1.800 . 5.240 4.882 4.668 5.071 . 0 0 "[ . 1 . 2]" 1
630 1 60 TYR HA 1 60 TYR QD 1.800 . 3.970 2.811 2.652 2.950 . 0 0 "[ . 1 . 2]" 1
631 1 60 TYR HA 1 61 SER H 1.800 . 3.860 2.320 2.248 2.391 . 0 0 "[ . 1 . 2]" 1
632 1 60 TYR HA 1 65 VAL MG2 1.800 . 5.180 4.787 4.215 5.102 . 0 0 "[ . 1 . 2]" 1
633 1 60 TYR QB 1 61 SER H 1.800 . 3.940 2.571 2.386 2.731 . 0 0 "[ . 1 . 2]" 1
634 1 60 TYR QB 1 64 TYR QD 1.800 . 3.980 3.441 2.370 3.955 . 0 0 "[ . 1 . 2]" 1
635 1 60 TYR QB 1 65 VAL MG2 1.800 . 3.590 2.710 2.203 3.007 . 0 0 "[ . 1 . 2]" 1
636 1 60 TYR QD 1 61 SER H 1.800 . 5.180 3.681 3.505 3.773 . 0 0 "[ . 1 . 2]" 1
637 1 60 TYR QD 1 65 VAL MG2 1.800 . 4.600 4.263 3.874 4.574 . 0 0 "[ . 1 . 2]" 1
638 1 60 TYR QD 1 68 ILE MD 1.800 . 4.710 3.365 2.853 3.741 . 0 0 "[ . 1 . 2]" 1
639 1 60 TYR QE 1 64 TYR QD 1.800 . 5.000 4.705 4.165 5.049 0.049 12 0 "[ . 1 . 2]" 1
640 1 60 TYR H 1 60 TYR QB 1.800 . 3.870 2.666 2.601 2.797 . 0 0 "[ . 1 . 2]" 1
641 1 60 TYR H 1 60 TYR QD 1.800 . 4.180 2.992 2.782 3.289 . 0 0 "[ . 1 . 2]" 1
642 1 60 TYR H 1 65 VAL MG2 1.800 . 4.530 3.980 3.647 4.144 . 0 0 "[ . 1 . 2]" 1
643 1 61 SER QB 1 63 ASN H 1.800 . 4.890 2.925 2.483 3.388 . 0 0 "[ . 1 . 2]" 1
644 1 61 SER QB 1 64 TYR H 1.800 . 5.260 3.115 2.621 3.831 . 0 0 "[ . 1 . 2]" 1
645 1 61 SER HB3 1 62 LYS H 1.800 . 4.700 3.252 2.382 3.948 . 0 0 "[ . 1 . 2]" 1
646 1 61 SER HB2 1 62 LYS H 1.800 . 4.700 3.334 2.394 3.988 . 0 0 "[ . 1 . 2]" 1
647 1 61 SER H 1 61 SER HB3 1.800 . 4.200 2.964 2.324 3.612 . 0 0 "[ . 1 . 2]" 1
648 1 61 SER H 1 61 SER HB2 1.800 . 4.200 2.865 2.281 3.593 . 0 0 "[ . 1 . 2]" 1
649 1 62 LYS HA 1 65 VAL HB 1.800 . 4.220 2.426 2.309 2.638 . 0 0 "[ . 1 . 2]" 1
650 1 62 LYS HA 1 65 VAL MG2 1.800 . 4.220 2.492 2.175 2.904 . 0 0 "[ . 1 . 2]" 1
651 1 62 LYS HA 1 65 VAL H 1.800 . 4.630 3.253 2.966 3.445 . 0 0 "[ . 1 . 2]" 1
652 1 62 LYS QB 1 63 ASN QB 1.800 . 5.150 4.347 3.897 4.812 . 0 0 "[ . 1 . 2]" 1
653 1 62 LYS QB 1 63 ASN H 1.800 . 3.990 2.636 2.488 3.483 . 0 0 "[ . 1 . 2]" 1
654 1 62 LYS H 1 63 ASN H 1.800 . 4.370 2.714 2.639 2.804 . 0 0 "[ . 1 . 2]" 1
655 1 63 ASN HA 1 63 ASN QD 1.800 . 4.200 3.329 1.773 4.078 0.027 12 0 "[ . 1 . 2]" 1
656 1 63 ASN HA 1 66 ASP QB 1.800 . 4.300 3.488 2.913 4.241 . 0 0 "[ . 1 . 2]" 1
657 1 63 ASN HA 1 66 ASP H 1.800 . 4.600 3.811 3.529 4.096 . 0 0 "[ . 1 . 2]" 1
658 1 63 ASN QB 1 64 TYR HA 1.800 . 5.350 4.062 3.906 4.373 . 0 0 "[ . 1 . 2]" 1
659 1 63 ASN QB 1 64 TYR QD 1.800 . 5.290 3.311 2.403 5.300 0.010 19 0 "[ . 1 . 2]" 1
660 1 63 ASN QB 1 64 TYR H 1.800 . 3.930 2.633 2.398 3.621 . 0 0 "[ . 1 . 2]" 1
661 1 63 ASN H 1 63 ASN QB 1.800 . 3.580 2.378 2.239 2.645 . 0 0 "[ . 1 . 2]" 1
662 1 63 ASN H 1 64 TYR H 1.800 . 4.200 2.702 2.597 2.747 . 0 0 "[ . 1 . 2]" 1
663 1 64 TYR HA 1 64 TYR QD 1.800 . 3.880 2.819 2.335 3.065 . 0 0 "[ . 1 . 2]" 1
664 1 64 TYR HA 1 64 TYR QE 1.800 . 4.920 4.445 4.272 4.548 . 0 0 "[ . 1 . 2]" 1
665 1 64 TYR HA 1 67 SER QB 1.800 . 4.440 3.225 2.894 3.863 . 0 0 "[ . 1 . 2]" 1
666 1 64 TYR HA 1 67 SER H 1.800 . 4.440 3.555 3.432 3.653 . 0 0 "[ . 1 . 2]" 1
667 1 64 TYR QB 1 65 VAL MG2 1.800 . 4.490 3.376 3.259 3.474 . 0 0 "[ . 1 . 2]" 1
668 1 64 TYR QB 1 65 VAL H 1.800 . 3.790 2.759 2.626 2.888 . 0 0 "[ . 1 . 2]" 1
669 1 64 TYR QD 1 68 ILE MD 1.800 . 4.290 3.446 2.090 4.220 . 0 0 "[ . 1 . 2]" 1
670 1 64 TYR H 1 64 TYR HB3 1.800 . 3.790 3.341 2.620 3.581 . 0 0 "[ . 1 . 2]" 1
671 1 64 TYR H 1 64 TYR HB2 1.800 . 3.790 2.345 2.242 2.630 . 0 0 "[ . 1 . 2]" 1
672 1 64 TYR H 1 64 TYR QD 1.800 . 5.170 2.688 1.946 4.245 . 0 0 "[ . 1 . 2]" 1
673 1 64 TYR H 1 65 VAL HB 1.800 . 5.730 4.570 4.246 4.703 . 0 0 "[ . 1 . 2]" 1
674 1 64 TYR H 1 65 VAL H 1.800 . 3.760 2.468 2.146 2.588 . 0 0 "[ . 1 . 2]" 1
675 1 65 VAL HA 1 65 VAL MG1 1.800 . 3.810 2.428 2.394 2.482 . 0 0 "[ . 1 . 2]" 1
676 1 65 VAL HA 1 65 VAL MG2 1.800 . 3.550 2.354 2.319 2.378 . 0 0 "[ . 1 . 2]" 1
677 1 65 VAL HA 1 68 ILE HB 1.800 . 4.170 2.499 2.396 2.748 . 0 0 "[ . 1 . 2]" 1
678 1 65 VAL HA 1 68 ILE MD 1.800 . 4.020 2.384 2.282 2.632 . 0 0 "[ . 1 . 2]" 1
679 1 65 VAL HA 1 68 ILE QG 1.800 . 4.830 3.600 3.364 3.858 . 0 0 "[ . 1 . 2]" 1
680 1 65 VAL HA 1 68 ILE MG 1.800 . 5.690 3.889 3.799 4.111 . 0 0 "[ . 1 . 2]" 1
681 1 65 VAL HA 1 68 ILE H 1.800 . 4.730 3.407 3.290 3.580 . 0 0 "[ . 1 . 2]" 1
682 1 65 VAL HA 1 69 VAL H 1.800 . 5.000 3.828 3.701 4.006 . 0 0 "[ . 1 . 2]" 1
683 1 65 VAL HB 1 66 ASP H 1.800 . 4.370 2.551 2.519 2.622 . 0 0 "[ . 1 . 2]" 1
684 1 65 VAL MG1 1 66 ASP H 1.800 . 4.480 3.193 3.117 3.249 . 0 0 "[ . 1 . 2]" 1
685 1 65 VAL MG1 1 68 ILE MD 1.800 . 4.540 3.961 3.738 4.200 . 0 0 "[ . 1 . 2]" 1
686 1 65 VAL MG2 1 66 ASP H 1.800 . 4.480 3.923 3.881 3.993 . 0 0 "[ . 1 . 2]" 1
687 1 65 VAL MG2 1 68 ILE MD 1.800 . 4.300 3.257 3.133 3.494 . 0 0 "[ . 1 . 2]" 1
688 1 65 VAL H 1 65 VAL HB 1.800 . 3.730 2.404 2.350 2.449 . 0 0 "[ . 1 . 2]" 1
689 1 65 VAL H 1 65 VAL MG1 1.800 . 4.380 3.753 3.739 3.766 . 0 0 "[ . 1 . 2]" 1
690 1 65 VAL H 1 65 VAL MG2 1.800 . 3.560 2.263 2.169 2.395 . 0 0 "[ . 1 . 2]" 1
691 1 65 VAL H 1 66 ASP H 1.800 . 3.940 2.738 2.702 2.767 . 0 0 "[ . 1 . 2]" 1
692 1 66 ASP HA 1 69 VAL HB 1.800 . 4.200 2.749 2.623 2.917 . 0 0 "[ . 1 . 2]" 1
693 1 66 ASP HA 1 69 VAL MG2 1.800 . 4.590 3.163 2.821 3.410 . 0 0 "[ . 1 . 2]" 1
694 1 66 ASP HA 1 69 VAL H 1.800 . 4.600 3.623 3.464 3.768 . 0 0 "[ . 1 . 2]" 1
695 1 66 ASP QB 1 67 SER H 1.800 . 3.620 2.572 2.321 3.311 . 0 0 "[ . 1 . 2]" 1
696 1 66 ASP H 1 67 SER H 1.800 . 4.060 2.861 2.776 2.918 . 0 0 "[ . 1 . 2]" 1
697 1 67 SER HA 1 68 ILE HA 1.800 . 5.350 4.817 4.806 4.828 . 0 0 "[ . 1 . 2]" 1
698 1 67 SER HA 1 70 ALA MB 1.800 . 3.720 2.822 2.644 2.987 . 0 0 "[ . 1 . 2]" 1
699 1 67 SER HA 1 70 ALA H 1.800 . 4.600 3.582 3.498 3.649 . 0 0 "[ . 1 . 2]" 1
700 1 67 SER QB 1 68 ILE H 1.800 . 4.050 2.636 2.462 3.362 . 0 0 "[ . 1 . 2]" 1
701 1 67 SER H 1 67 SER QB 1.800 . 3.450 2.408 2.196 2.558 . 0 0 "[ . 1 . 2]" 1
702 1 67 SER H 1 68 ILE H 1.800 . 3.830 2.678 2.646 2.728 . 0 0 "[ . 1 . 2]" 1
703 1 68 ILE HA 1 68 ILE MD 1.800 . 5.120 3.824 3.814 3.834 . 0 0 "[ . 1 . 2]" 1
704 1 68 ILE HA 1 71 SER HB3 1.800 . 4.300 3.374 2.499 4.281 . 0 0 "[ . 1 . 2]" 1
705 1 68 ILE HA 1 71 SER H 1.800 . 4.600 3.530 3.329 3.684 . 0 0 "[ . 1 . 2]" 1
706 1 68 ILE HB 1 69 VAL H 1.800 . 4.210 2.566 2.541 2.600 . 0 0 "[ . 1 . 2]" 1
707 1 68 ILE MD 1 69 VAL H 1.800 . 5.280 4.433 4.378 4.485 . 0 0 "[ . 1 . 2]" 1
708 1 68 ILE QG 1 69 VAL H 1.800 . 5.330 4.090 4.063 4.120 . 0 0 "[ . 1 . 2]" 1
709 1 68 ILE MD 1 68 ILE MG 1.800 . 3.420 1.849 1.796 1.937 0.004 20 0 "[ . 1 . 2]" 1
710 1 68 ILE MG 1 69 VAL H 1.800 . 5.030 3.280 3.263 3.301 . 0 0 "[ . 1 . 2]" 1
711 1 68 ILE H 1 68 ILE HB 1.800 . 4.210 2.435 2.419 2.459 . 0 0 "[ . 1 . 2]" 1
712 1 68 ILE H 1 68 ILE MD 1.800 . 4.630 3.420 3.375 3.498 . 0 0 "[ . 1 . 2]" 1
713 1 68 ILE H 1 68 ILE HG13 1.800 . 4.960 2.256 2.230 2.293 . 0 0 "[ . 1 . 2]" 1
714 1 68 ILE H 1 68 ILE HG12 1.800 . 4.960 3.626 3.591 3.682 . 0 0 "[ . 1 . 2]" 1
715 1 68 ILE H 1 68 ILE MG 1.800 . 4.380 3.762 3.753 3.774 . 0 0 "[ . 1 . 2]" 1
716 1 68 ILE H 1 69 VAL H 1.800 . 3.960 2.669 2.630 2.709 . 0 0 "[ . 1 . 2]" 1
717 1 69 VAL HA 1 69 VAL MG1 1.800 . 3.700 2.425 2.381 2.470 . 0 0 "[ . 1 . 2]" 1
718 1 69 VAL HA 1 69 VAL MG2 1.800 . 3.530 2.343 2.257 2.363 . 0 0 "[ . 1 . 2]" 1
719 1 69 VAL HA 1 72 THR HB 1.800 . 4.300 3.320 2.359 4.355 0.055 10 0 "[ . 1 . 2]" 1
720 1 69 VAL HA 1 72 THR H 1.800 . 4.600 3.635 3.413 3.953 . 0 0 "[ . 1 . 2]" 1
721 1 69 VAL HA 1 73 ASN H 1.800 . 5.000 3.903 3.553 4.284 . 0 0 "[ . 1 . 2]" 1
722 1 69 VAL HB 1 70 ALA H 1.800 . 3.990 2.536 2.487 2.581 . 0 0 "[ . 1 . 2]" 1
723 1 69 VAL MG1 1 70 ALA HA 1.800 . 4.420 3.278 3.198 3.331 . 0 0 "[ . 1 . 2]" 1
724 1 69 VAL MG1 1 70 ALA H 1.800 . 4.180 3.187 3.092 3.255 . 0 0 "[ . 1 . 2]" 1
725 1 69 VAL MG1 1 73 ASN QB 1.800 . 4.460 3.608 2.856 4.318 . 0 0 "[ . 1 . 2]" 1
726 1 69 VAL MG1 1 73 ASN QD 1.800 . 4.030 2.856 1.780 4.083 0.053 10 0 "[ . 1 . 2]" 1
727 1 69 VAL MG1 1 73 ASN HD21 1.800 . 4.760 3.344 2.158 4.398 . 0 0 "[ . 1 . 2]" 1
728 1 69 VAL MG1 1 73 ASN H 1.800 . 4.910 3.976 3.678 4.183 . 0 0 "[ . 1 . 2]" 1
729 1 69 VAL MG2 1 70 ALA H 1.800 . 4.380 3.911 3.858 3.946 . 0 0 "[ . 1 . 2]" 1
730 1 69 VAL H 1 69 VAL HB 1.800 . 3.690 2.405 2.366 2.451 . 0 0 "[ . 1 . 2]" 1
731 1 69 VAL H 1 69 VAL MG1 1.800 . 4.590 3.750 3.736 3.762 . 0 0 "[ . 1 . 2]" 1
732 1 69 VAL H 1 69 VAL MG2 1.800 . 3.430 2.233 2.140 2.315 . 0 0 "[ . 1 . 2]" 1
733 1 69 VAL H 1 70 ALA H 1.800 . 4.190 2.748 2.708 2.777 . 0 0 "[ . 1 . 2]" 1
734 1 70 ALA HA 1 73 ASN QB 1.800 . 4.200 2.830 2.580 4.007 . 0 0 "[ . 1 . 2]" 1
735 1 70 ALA HA 1 73 ASN QD 1.800 . 4.980 3.507 1.836 5.024 0.044 14 0 "[ . 1 . 2]" 1
736 1 70 ALA HA 1 73 ASN H 1.800 . 4.600 3.697 3.467 3.976 . 0 0 "[ . 1 . 2]" 1
737 1 70 ALA MB 1 71 SER H 1.800 . 3.930 2.422 2.252 2.610 . 0 0 "[ . 1 . 2]" 1
738 1 70 ALA MB 1 72 THR H 1.800 . 5.610 4.550 4.374 4.909 . 0 0 "[ . 1 . 2]" 1
739 1 70 ALA H 1 70 ALA MB 1.800 . 3.600 2.234 2.208 2.252 . 0 0 "[ . 1 . 2]" 1
740 1 70 ALA H 1 71 SER H 1.800 . 4.070 2.727 2.580 2.858 . 0 0 "[ . 1 . 2]" 1
741 1 71 SER HA 1 74 MET HB3 1.800 . 4.500 4.114 2.822 4.547 0.047 13 0 "[ . 1 . 2]" 1
742 1 71 SER HA 1 74 MET H 1.800 . 4.600 3.520 3.355 3.617 . 0 0 "[ . 1 . 2]" 1
743 1 71 SER QB 1 73 ASN H 1.800 . 5.690 4.858 4.470 5.187 . 0 0 "[ . 1 . 2]" 1
744 1 71 SER HB3 1 72 THR H 1.800 . 5.010 3.121 2.447 4.046 . 0 0 "[ . 1 . 2]" 1
745 1 71 SER HB2 1 72 THR H 1.800 . 5.010 3.495 2.370 4.004 . 0 0 "[ . 1 . 2]" 1
746 1 71 SER H 1 71 SER HG 1.800 . 5.030 3.599 1.894 4.451 . 0 0 "[ . 1 . 2]" 1
747 1 71 SER H 1 72 THR H 1.800 . 4.500 2.701 2.590 2.852 . 0 0 "[ . 1 . 2]" 1
748 1 72 THR HA 1 72 THR MG 1.800 . 3.770 2.494 2.257 3.194 . 0 0 "[ . 1 . 2]" 1
749 1 72 THR HB 1 73 ASN H 1.800 . 5.240 2.921 2.447 3.864 . 0 0 "[ . 1 . 2]" 1
750 1 72 THR MG 1 73 ASN H 1.800 . 4.760 3.263 1.804 3.987 . 0 0 "[ . 1 . 2]" 1
751 1 72 THR MG 1 75 ILE MD 1.800 . 4.870 3.647 3.051 4.704 . 0 0 "[ . 1 . 2]" 1
752 1 72 THR MG 1 76 PHE QB 1.800 . 6.050 4.741 3.761 6.122 0.072 7 0 "[ . 1 . 2]" 1
753 1 72 THR MG 1 76 PHE QD 1.800 . 4.600 3.320 2.383 4.652 0.052 11 0 "[ . 1 . 2]" 1
754 1 72 THR MG 1 76 PHE HZ 1.800 . 4.690 4.076 2.317 4.799 0.109 13 0 "[ . 1 . 2]" 1
755 1 72 THR H 1 72 THR MG 1.800 . 4.640 3.196 2.123 3.771 . 0 0 "[ . 1 . 2]" 1
756 1 72 THR H 1 73 ASN H 1.800 . 4.150 2.728 2.651 2.934 . 0 0 "[ . 1 . 2]" 1
757 1 73 ASN HA 1 73 ASN QD 1.800 . 4.960 3.687 1.781 4.281 0.019 18 0 "[ . 1 . 2]" 1
758 1 73 ASN HA 1 76 PHE QB 1.800 . 4.640 2.900 2.564 3.518 . 0 0 "[ . 1 . 2]" 1
759 1 73 ASN HA 1 76 PHE H 1.800 . 4.600 3.558 3.441 3.729 . 0 0 "[ . 1 . 2]" 1
760 1 73 ASN QB 1 74 MET H 1.800 . 4.380 2.626 2.497 3.436 . 0 0 "[ . 1 . 2]" 1
761 1 73 ASN H 1 73 ASN QB 1.800 . 3.600 2.321 2.254 2.383 . 0 0 "[ . 1 . 2]" 1
762 1 73 ASN H 1 74 MET H 1.800 . 4.310 2.684 2.646 2.740 . 0 0 "[ . 1 . 2]" 1
763 1 74 MET HA 1 74 MET HG3 1.800 . 4.410 3.280 2.625 3.665 . 0 0 "[ . 1 . 2]" 1
764 1 74 MET HA 1 74 MET HG2 1.800 . 4.410 2.712 2.305 3.721 . 0 0 "[ . 1 . 2]" 1
765 1 74 MET HA 1 77 LYS QB 1.800 . 3.850 2.515 2.320 2.751 . 0 0 "[ . 1 . 2]" 1
766 1 74 MET HA 1 77 LYS HD3 1.800 . 6.030 4.315 3.057 6.122 0.092 2 0 "[ . 1 . 2]" 1
767 1 74 MET HA 1 77 LYS HD2 1.800 . 6.030 4.318 2.639 5.595 . 0 0 "[ . 1 . 2]" 1
768 1 74 MET HA 1 77 LYS H 1.800 . 4.600 3.508 3.406 3.680 . 0 0 "[ . 1 . 2]" 1
769 1 74 MET HA 1 78 TYR H 1.800 . 5.000 3.827 3.532 4.085 . 0 0 "[ . 1 . 2]" 1
770 1 74 MET QB 1 75 ILE H 1.800 . 4.530 2.602 2.501 2.737 . 0 0 "[ . 1 . 2]" 1
771 1 74 MET H 1 74 MET QG 1.800 . 4.200 2.671 2.373 4.066 . 0 0 "[ . 1 . 2]" 1
772 1 74 MET H 1 75 ILE H 1.800 . 3.840 2.684 2.591 2.755 . 0 0 "[ . 1 . 2]" 1
773 1 75 ILE HA 1 75 ILE MD 1.800 . 4.650 3.826 3.811 3.849 . 0 0 "[ . 1 . 2]" 1
774 1 75 ILE HA 1 78 TYR HB3 1.800 . 4.770 2.829 2.613 3.236 . 0 0 "[ . 1 . 2]" 1
775 1 75 ILE HA 1 78 TYR HB2 1.800 . 4.770 3.493 3.221 3.857 . 0 0 "[ . 1 . 2]" 1
776 1 75 ILE HA 1 78 TYR QD 1.800 . 5.000 4.334 3.969 4.753 . 0 0 "[ . 1 . 2]" 1
777 1 75 ILE HA 1 78 TYR H 1.800 . 4.600 3.586 3.428 3.777 . 0 0 "[ . 1 . 2]" 1
778 1 75 ILE HA 1 79 ALA H 1.800 . 5.060 4.296 3.837 4.632 . 0 0 "[ . 1 . 2]" 1
779 1 75 ILE HB 1 76 PHE H 1.800 . 4.050 2.499 2.361 2.570 . 0 0 "[ . 1 . 2]" 1
780 1 75 ILE MD 1 75 ILE MG 1.800 . 3.690 1.917 1.796 2.062 0.004 2 0 "[ . 1 . 2]" 1
781 1 75 ILE MG 1 76 PHE QE 1.800 . 4.760 3.897 2.865 4.569 . 0 0 "[ . 1 . 2]" 1
782 1 75 ILE MG 1 76 PHE H 1.800 . 4.770 3.219 3.134 3.262 . 0 0 "[ . 1 . 2]" 1
783 1 75 ILE MG 1 79 ALA MB 1.800 . 4.580 3.781 3.309 4.043 . 0 0 "[ . 1 . 2]" 1
784 1 75 ILE H 1 75 ILE HB 1.800 . 3.930 2.433 2.412 2.478 . 0 0 "[ . 1 . 2]" 1
785 1 75 ILE H 1 75 ILE MD 1.800 . 4.540 3.441 3.375 3.558 . 0 0 "[ . 1 . 2]" 1
786 1 75 ILE H 1 75 ILE QG 1.800 . 3.790 2.197 2.122 2.284 . 0 0 "[ . 1 . 2]" 1
787 1 75 ILE H 1 75 ILE MG 1.800 . 4.660 3.758 3.752 3.766 . 0 0 "[ . 1 . 2]" 1
788 1 75 ILE H 1 76 PHE H 1.800 . 4.070 2.725 2.655 2.793 . 0 0 "[ . 1 . 2]" 1
789 1 76 PHE HA 1 79 ALA MB 1.800 . 4.130 2.979 2.699 3.197 . 0 0 "[ . 1 . 2]" 1
790 1 76 PHE HA 1 79 ALA H 1.800 . 4.600 3.576 3.355 3.789 . 0 0 "[ . 1 . 2]" 1
791 1 76 PHE HA 1 85 ILE MD 1.800 . 4.510 3.757 3.190 4.304 . 0 0 "[ . 1 . 2]" 1
792 1 76 PHE QB 1 77 LYS H 1.800 . 4.370 2.536 2.445 2.651 . 0 0 "[ . 1 . 2]" 1
793 1 76 PHE H 1 76 PHE QB 1.800 . 3.920 2.341 2.211 2.588 . 0 0 "[ . 1 . 2]" 1
794 1 76 PHE H 1 77 LYS H 1.800 . 4.170 2.628 2.558 2.756 . 0 0 "[ . 1 . 2]" 1
795 1 77 LYS HA 1 77 LYS QG 1.800 . 3.900 2.360 2.242 2.656 . 0 0 "[ . 1 . 2]" 1
796 1 77 LYS HA 1 80 TYR QB 1.800 . 4.650 2.488 2.325 2.707 . 0 0 "[ . 1 . 2]" 1
797 1 77 LYS HA 1 80 TYR H 1.800 . 4.650 3.384 3.229 3.540 . 0 0 "[ . 1 . 2]" 1
798 1 77 LYS HA 1 81 ASP H 1.800 . 5.000 4.104 3.904 4.515 . 0 0 "[ . 1 . 2]" 1
799 1 77 LYS HA 1 85 ILE MD 1.800 . 5.370 4.925 4.384 5.385 0.015 6 0 "[ . 1 . 2]" 1
800 1 77 LYS HA 1 88 MET ME 1.800 . 6.000 4.736 2.775 6.090 0.090 3 0 "[ . 1 . 2]" 1
801 1 77 LYS QB 1 78 TYR H 1.800 . 4.300 2.576 2.497 2.672 . 0 0 "[ . 1 . 2]" 1
802 1 77 LYS QG 1 78 TYR H 1.800 . 4.990 3.923 3.660 4.401 . 0 0 "[ . 1 . 2]" 1
803 1 77 LYS H 1 77 LYS HB3 1.800 . 3.970 3.017 2.574 3.600 . 0 0 "[ . 1 . 2]" 1
804 1 77 LYS H 1 77 LYS HB2 1.800 . 3.970 2.436 2.240 2.525 . 0 0 "[ . 1 . 2]" 1
805 1 77 LYS H 1 77 LYS QG 1.800 . 5.010 3.293 2.221 3.987 . 0 0 "[ . 1 . 2]" 1
806 1 77 LYS H 1 78 TYR H 1.800 . 4.180 2.638 2.588 2.681 . 0 0 "[ . 1 . 2]" 1
807 1 78 TYR HA 1 78 TYR QD 1.800 . 4.060 2.676 2.498 2.835 . 0 0 "[ . 1 . 2]" 1
808 1 78 TYR HA 1 78 TYR QE 1.800 . 5.280 4.558 4.451 4.609 . 0 0 "[ . 1 . 2]" 1
809 1 78 TYR HA 1 81 ASP QB 1.800 . 3.890 2.867 2.586 3.078 . 0 0 "[ . 1 . 2]" 1
810 1 78 TYR HA 1 81 ASP H 1.800 . 4.600 3.544 3.364 3.646 . 0 0 "[ . 1 . 2]" 1
811 1 78 TYR QB 1 79 ALA MB 1.800 . 5.430 3.814 3.736 3.892 . 0 0 "[ . 1 . 2]" 1
812 1 78 TYR HB3 1 79 ALA H 1.800 . 4.680 2.458 2.404 2.508 . 0 0 "[ . 1 . 2]" 1
813 1 78 TYR HB2 1 79 ALA H 1.800 . 4.680 3.834 3.795 3.870 . 0 0 "[ . 1 . 2]" 1
814 1 78 TYR QD 1 79 ALA H 1.800 . 4.950 3.229 3.061 3.437 . 0 0 "[ . 1 . 2]" 1
815 1 78 TYR H 1 78 TYR HB3 1.800 . 4.150 2.496 2.457 2.558 . 0 0 "[ . 1 . 2]" 1
816 1 78 TYR H 1 78 TYR HB2 1.800 . 4.150 2.590 2.527 2.623 . 0 0 "[ . 1 . 2]" 1
817 1 78 TYR H 1 78 TYR QD 1.800 . 4.920 4.195 4.180 4.203 . 0 0 "[ . 1 . 2]" 1
818 1 78 TYR H 1 79 ALA H 1.800 . 4.330 2.758 2.713 2.811 . 0 0 "[ . 1 . 2]" 1
819 1 79 ALA HA 1 82 THR HB 1.800 . 4.300 3.292 2.750 4.348 0.048 19 0 "[ . 1 . 2]" 1
820 1 79 ALA HA 1 82 THR H 1.800 . 4.600 3.420 3.330 3.567 . 0 0 "[ . 1 . 2]" 1
821 1 79 ALA HA 1 84 LEU HB3 1.800 . 5.170 4.542 3.348 5.035 . 0 0 "[ . 1 . 2]" 1
822 1 79 ALA HA 1 84 LEU HB2 1.800 . 5.070 3.350 2.327 3.651 . 0 0 "[ . 1 . 2]" 1
823 1 79 ALA HA 1 84 LEU MD1 1.800 . 4.160 2.637 2.248 4.318 0.158 2 0 "[ . 1 . 2]" 1
824 1 79 ALA HA 1 84 LEU H 1.800 . 5.190 4.295 3.629 4.616 . 0 0 "[ . 1 . 2]" 1
825 1 79 ALA MB 1 80 TYR H 1.800 . 4.140 2.542 2.432 2.601 . 0 0 "[ . 1 . 2]" 1
826 1 79 ALA MB 1 81 ASP H 1.800 . 5.410 4.560 4.492 4.615 . 0 0 "[ . 1 . 2]" 1
827 1 79 ALA MB 1 84 LEU MD1 1.800 . 3.690 2.724 2.257 3.873 0.183 2 0 "[ . 1 . 2]" 1
828 1 79 ALA MB 1 84 LEU H 1.800 . 5.710 4.197 3.841 4.429 . 0 0 "[ . 1 . 2]" 1
829 1 79 ALA MB 1 85 ILE MD 1.800 . 3.710 2.680 2.269 3.061 . 0 0 "[ . 1 . 2]" 1
830 1 79 ALA MB 1 85 ILE MG 1.800 . 3.850 2.985 2.285 3.385 . 0 0 "[ . 1 . 2]" 1
831 1 79 ALA MB 1 85 ILE H 1.800 . 4.440 3.982 3.150 4.303 . 0 0 "[ . 1 . 2]" 1
832 1 79 ALA H 1 79 ALA MB 1.800 . 3.530 2.227 2.189 2.250 . 0 0 "[ . 1 . 2]" 1
833 1 80 TYR HA 1 80 TYR QD 1.800 . 4.320 2.664 2.526 2.896 . 0 0 "[ . 1 . 2]" 1
834 1 80 TYR HA 1 82 THR H 1.800 . 4.930 4.305 3.907 4.461 . 0 0 "[ . 1 . 2]" 1
835 1 80 TYR HA 1 83 ARG H 1.800 . 4.600 3.816 3.494 4.290 . 0 0 "[ . 1 . 2]" 1
836 1 80 TYR HA 1 85 ILE MD 1.800 . 4.590 3.467 3.018 3.687 . 0 0 "[ . 1 . 2]" 1
837 1 80 TYR HA 1 85 ILE QG 1.800 . 4.270 2.360 2.120 2.770 . 0 0 "[ . 1 . 2]" 1
838 1 80 TYR HA 1 85 ILE H 1.800 . 4.580 2.960 2.533 3.491 . 0 0 "[ . 1 . 2]" 1
839 1 80 TYR QB 1 81 ASP H 1.800 . 4.330 2.504 2.444 2.570 . 0 0 "[ . 1 . 2]" 1
840 1 80 TYR QB 1 85 ILE MD 1.800 . 4.070 2.884 2.388 3.268 . 0 0 "[ . 1 . 2]" 1
841 1 80 TYR QB 1 85 ILE HG13 1.800 . 5.330 3.255 2.646 3.776 . 0 0 "[ . 1 . 2]" 1
842 1 80 TYR QB 1 85 ILE HG12 1.800 . 5.330 3.696 3.297 4.206 . 0 0 "[ . 1 . 2]" 1
843 1 80 TYR QD 1 81 ASP HA 1.800 . 4.790 3.291 2.926 3.520 . 0 0 "[ . 1 . 2]" 1
844 1 80 TYR QD 1 81 ASP H 1.800 . 5.100 3.339 3.148 3.497 . 0 0 "[ . 1 . 2]" 1
845 1 80 TYR QD 1 85 ILE HB 1.800 . 5.980 4.736 4.352 5.629 . 0 0 "[ . 1 . 2]" 1
846 1 80 TYR QD 1 85 ILE MD 1.800 . 4.420 3.559 3.262 4.026 . 0 0 "[ . 1 . 2]" 1
847 1 80 TYR QD 1 85 ILE HG13 1.800 . 5.010 2.565 2.345 3.374 . 0 0 "[ . 1 . 2]" 1
848 1 80 TYR QD 1 85 ILE HG12 1.800 . 5.010 3.914 3.537 4.588 . 0 0 "[ . 1 . 2]" 1
849 1 80 TYR QD 1 86 LYS HA 1.800 . 4.960 3.794 2.885 4.570 . 0 0 "[ . 1 . 2]" 1
850 1 80 TYR QD 1 87 ALA MB 1.800 . 5.460 4.797 3.975 5.314 . 0 0 "[ . 1 . 2]" 1
851 1 80 TYR QD 1 87 ALA H 1.800 . 5.140 3.768 2.207 4.574 . 0 0 "[ . 1 . 2]" 1
852 1 80 TYR QD 1 88 MET ME 1.800 . 6.000 3.550 2.316 5.448 . 0 0 "[ . 1 . 2]" 1
853 1 80 TYR QE 1 86 LYS HA 1.800 . 4.210 3.173 2.326 4.203 . 0 0 "[ . 1 . 2]" 1
854 1 80 TYR QE 1 87 ALA MB 1.800 . 5.600 5.334 4.686 5.621 0.021 9 0 "[ . 1 . 2]" 1
855 1 80 TYR QE 1 88 MET ME 1.800 . 6.000 3.307 2.511 5.238 . 0 0 "[ . 1 . 2]" 1
856 1 80 TYR H 1 80 TYR HB3 1.800 . 3.900 2.487 2.467 2.526 . 0 0 "[ . 1 . 2]" 1
857 1 80 TYR H 1 80 TYR HB2 1.800 . 3.900 2.612 2.586 2.665 . 0 0 "[ . 1 . 2]" 1
858 1 80 TYR H 1 80 TYR QD 1.800 . 5.130 4.198 4.190 4.235 . 0 0 "[ . 1 . 2]" 1
859 1 80 TYR H 1 81 ASP H 1.800 . 4.100 2.692 2.637 2.746 . 0 0 "[ . 1 . 2]" 1
860 1 80 TYR H 1 85 ILE MD 1.800 . 4.610 3.513 2.743 3.874 . 0 0 "[ . 1 . 2]" 1
861 1 80 TYR H 1 85 ILE MG 1.800 . 5.420 5.184 4.635 5.457 0.037 19 0 "[ . 1 . 2]" 1
862 1 80 TYR H 1 85 ILE H 1.800 . 5.640 5.040 4.395 5.315 . 0 0 "[ . 1 . 2]" 1
863 1 81 ASP QB 1 82 THR H 1.800 . 4.220 2.625 2.473 2.995 . 0 0 "[ . 1 . 2]" 1
864 1 81 ASP H 1 82 THR H 1.800 . 4.170 2.669 2.602 2.745 . 0 0 "[ . 1 . 2]" 1
865 1 82 THR HA 1 82 THR MG 1.800 . 3.720 2.260 2.205 2.328 . 0 0 "[ . 1 . 2]" 1
866 1 82 THR HA 1 83 ARG QG 1.800 . 4.740 3.679 3.156 4.013 . 0 0 "[ . 1 . 2]" 1
867 1 82 THR HB 1 84 LEU QB 1.800 . 5.160 3.383 2.381 4.312 . 0 0 "[ . 1 . 2]" 1
868 1 82 THR HB 1 84 LEU MD1 1.800 . 4.100 2.738 2.217 4.401 0.301 2 0 "[ . 1 . 2]" 1
869 1 82 THR HB 1 84 LEU HG 1.800 . 5.430 2.834 2.293 4.754 . 0 0 "[ . 1 . 2]" 1
870 1 82 THR MG 1 83 ARG H 1.800 . 4.940 4.216 4.120 4.303 . 0 0 "[ . 1 . 2]" 1
871 1 82 THR MG 1 84 LEU HG 1.800 . 3.870 2.998 2.265 4.081 0.211 2 0 "[ . 1 . 2]" 1
872 1 82 THR MG 1 84 LEU H 1.800 . 4.840 4.067 3.328 4.861 0.021 5 0 "[ . 1 . 2]" 1
873 1 82 THR H 1 82 THR MG 1.800 . 4.260 3.464 2.451 3.790 . 0 0 "[ . 1 . 2]" 1
874 1 82 THR H 1 83 ARG H 1.800 . 4.480 2.677 2.470 2.993 . 0 0 "[ . 1 . 2]" 1
875 1 83 ARG HA 1 83 ARG QG 1.800 . 3.610 2.586 2.307 3.333 . 0 0 "[ . 1 . 2]" 1
876 1 83 ARG QB 1 83 ARG QD 1.800 . 3.600 2.236 2.123 2.315 . 0 0 "[ . 1 . 2]" 1
877 1 83 ARG HB3 1 83 ARG HD3 1.800 . 4.280 2.990 2.515 3.681 . 0 0 "[ . 1 . 2]" 1
878 1 83 ARG HB3 1 83 ARG HD2 1.800 . 4.280 3.019 2.340 3.765 . 0 0 "[ . 1 . 2]" 1
879 1 83 ARG HB2 1 83 ARG HD3 1.800 . 4.280 3.150 2.429 3.838 . 0 0 "[ . 1 . 2]" 1
880 1 83 ARG HB2 1 83 ARG HD2 1.800 . 4.280 3.197 2.442 3.682 . 0 0 "[ . 1 . 2]" 1
881 1 83 ARG H 1 83 ARG QG 1.800 . 3.930 2.700 2.450 3.166 . 0 0 "[ . 1 . 2]" 1
882 1 83 ARG H 1 84 LEU QB 1.800 . 5.780 4.619 4.340 4.848 . 0 0 "[ . 1 . 2]" 1
883 1 83 ARG H 1 84 LEU H 1.800 . 4.200 2.747 2.549 2.914 . 0 0 "[ . 1 . 2]" 1
884 1 83 ARG H 1 85 ILE H 1.800 . 4.980 4.382 4.186 4.793 . 0 0 "[ . 1 . 2]" 1
885 1 84 LEU HA 1 84 LEU MD2 1.800 . 3.600 2.215 2.076 2.469 . 0 0 "[ . 1 . 2]" 1
886 1 84 LEU QB 1 84 LEU MD2 1.800 . 3.720 2.216 2.169 2.455 . 0 0 "[ . 1 . 2]" 1
887 1 84 LEU HB3 1 84 LEU MD1 1.800 . 3.900 2.460 2.253 2.544 . 0 0 "[ . 1 . 2]" 1
888 1 84 LEU HB3 1 85 ILE H 1.800 . 5.360 3.449 2.539 4.014 . 0 0 "[ . 1 . 2]" 1
889 1 84 LEU HB2 1 84 LEU MD1 1.800 . 3.900 2.317 2.220 3.151 . 0 0 "[ . 1 . 2]" 1
890 1 84 LEU HB2 1 85 ILE H 1.800 . 5.360 2.967 2.600 3.548 . 0 0 "[ . 1 . 2]" 1
891 1 84 LEU H 1 84 LEU MD1 1.800 . 4.710 3.732 3.412 4.243 . 0 0 "[ . 1 . 2]" 1
892 1 84 LEU H 1 84 LEU MD2 1.800 . 4.860 3.821 2.010 4.241 . 0 0 "[ . 1 . 2]" 1
893 1 84 LEU H 1 84 LEU HG 1.800 . 4.460 2.998 2.325 4.177 . 0 0 "[ . 1 . 2]" 1
894 1 84 LEU H 1 85 ILE MG 1.800 . 4.940 4.371 3.997 4.651 . 0 0 "[ . 1 . 2]" 1
895 1 84 LEU H 1 85 ILE H 1.800 . 4.210 2.389 2.052 2.671 . 0 0 "[ . 1 . 2]" 1
896 1 85 ILE HA 1 85 ILE MG 1.800 . 3.510 2.296 2.267 2.377 . 0 0 "[ . 1 . 2]" 1
897 1 85 ILE HB 1 86 LYS H 1.800 . 4.860 2.857 2.465 4.169 . 0 0 "[ . 1 . 2]" 1
898 1 85 ILE HB 1 87 ALA MB 1.800 . 4.370 3.290 2.873 3.711 . 0 0 "[ . 1 . 2]" 1
899 1 85 ILE HB 1 87 ALA H 1.800 . 4.080 2.743 2.403 3.702 . 0 0 "[ . 1 . 2]" 1
900 1 85 ILE MD 1 87 ALA H 1.800 . 5.300 3.466 3.084 3.762 . 0 0 "[ . 1 . 2]" 1
901 1 85 ILE MD 1 88 MET HA 1.800 . 4.600 3.850 3.184 4.630 0.030 12 0 "[ . 1 . 2]" 1
902 1 85 ILE MD 1 89 PRO QD 1.800 . 5.000 3.328 2.527 5.142 0.142 19 0 "[ . 1 . 2]" 1
903 1 85 ILE MD 1 85 ILE MG 1.800 . 3.600 2.006 1.819 2.104 . 0 0 "[ . 1 . 2]" 1
904 1 85 ILE MG 1 86 LYS H 1.800 . 5.530 3.823 3.720 4.078 . 0 0 "[ . 1 . 2]" 1
905 1 85 ILE MG 1 87 ALA H 1.800 . 5.000 4.315 4.089 5.024 0.024 12 0 "[ . 1 . 2]" 1
906 1 85 ILE H 1 85 ILE QG 1.800 . 4.770 2.138 2.082 2.252 . 0 0 "[ . 1 . 2]" 1
907 1 85 ILE H 1 85 ILE MG 1.800 . 4.300 2.891 2.820 3.017 . 0 0 "[ . 1 . 2]" 1
908 1 86 LYS HA 1 86 LYS QG 1.800 . 3.690 2.683 2.230 3.412 . 0 0 "[ . 1 . 2]" 1
909 1 86 LYS QB 1 87 ALA H 1.800 . 4.470 3.534 3.190 4.046 . 0 0 "[ . 1 . 2]" 1
910 1 86 LYS H 1 86 LYS QG 1.800 . 4.790 2.726 1.792 4.077 0.008 6 0 "[ . 1 . 2]" 1
911 1 86 LYS H 1 87 ALA H 1.800 . 4.270 2.469 2.169 3.496 . 0 0 "[ . 1 . 2]" 1
912 1 87 ALA HA 1 88 MET H 1.800 . 3.720 2.447 2.280 3.241 . 0 0 "[ . 1 . 2]" 1
913 1 87 ALA MB 1 88 MET H 1.800 . 3.950 2.480 2.119 3.322 . 0 0 "[ . 1 . 2]" 1
914 1 87 ALA H 1 87 ALA MB 1.800 . 3.560 2.428 2.252 2.890 . 0 0 "[ . 1 . 2]" 1
915 1 88 MET HA 1 88 MET QG 1.800 . 3.960 2.664 2.242 3.389 . 0 0 "[ . 1 . 2]" 1
916 1 88 MET HA 1 89 PRO QG 1.800 . 5.050 4.193 4.021 5.182 0.132 19 0 "[ . 1 . 2]" 1
917 1 89 PRO QB 1 91 GLU H 1.800 . 5.950 5.377 3.122 5.990 0.040 8 0 "[ . 1 . 2]" 1
918 1 90 SER HA 1 93 ILE MD 1.800 . 6.050 3.156 2.208 5.001 . 0 0 "[ . 1 . 2]" 1
919 1 90 SER HA 1 93 ILE QG 1.800 . 4.800 3.862 2.842 4.765 . 0 0 "[ . 1 . 2]" 1
920 1 90 SER H 1 91 GLU H 1.800 . 4.700 3.299 1.627 4.662 0.173 6 0 "[ . 1 . 2]" 1
921 1 91 GLU HA 1 91 GLU HG3 1.800 . 4.220 3.029 2.323 3.746 . 0 0 "[ . 1 . 2]" 1
922 1 91 GLU HA 1 91 GLU HG2 1.800 . 4.220 3.125 2.314 4.249 0.029 20 0 "[ . 1 . 2]" 1
923 1 91 GLU H 1 91 GLU QB 1.800 . 3.420 2.710 2.284 3.346 . 0 0 "[ . 1 . 2]" 1
924 1 91 GLU H 1 91 GLU QG 1.800 . 4.500 3.277 2.152 4.456 . 0 0 "[ . 1 . 2]" 1
925 1 93 ILE HA 1 93 ILE MD 1.800 . 4.100 3.313 2.071 3.837 . 0 0 "[ . 1 . 2]" 1
926 1 93 ILE HA 1 93 ILE QG 1.800 . 3.890 2.578 2.347 3.095 . 0 0 "[ . 1 . 2]" 1
927 1 93 ILE QG 1 93 ILE MG 1.800 . 3.470 2.279 2.194 2.439 . 0 0 "[ . 1 . 2]" 1
928 1 93 ILE MG 1 94 LYS HA 1.800 . 5.000 3.866 3.415 4.657 . 0 0 "[ . 1 . 2]" 1
929 1 93 ILE MG 1 94 LYS H 1.800 . 4.110 3.289 1.842 4.154 0.044 18 0 "[ . 1 . 2]" 1
930 1 93 ILE H 1 93 ILE HB 1.800 . 3.760 2.731 2.368 3.689 . 0 0 "[ . 1 . 2]" 1
931 1 93 ILE H 1 93 ILE MD 1.800 . 4.770 3.511 2.189 4.190 . 0 0 "[ . 1 . 2]" 1
932 1 93 ILE H 1 93 ILE QG 1.800 . 4.200 2.524 1.937 2.817 . 0 0 "[ . 1 . 2]" 1
933 1 93 ILE H 1 93 ILE MG 1.800 . 4.410 3.843 3.755 4.055 . 0 0 "[ . 1 . 2]" 1
934 1 93 ILE H 1 94 LYS H 1.800 . 5.090 3.433 1.839 4.676 . 0 0 "[ . 1 . 2]" 1
935 1 94 LYS HA 1 94 LYS QG 1.800 . 3.860 2.468 2.247 3.312 . 0 0 "[ . 1 . 2]" 1
936 1 94 LYS HA 1 95 ARG H 1.800 . 3.700 2.590 2.150 3.576 . 0 0 "[ . 1 . 2]" 1
937 1 94 LYS QB 1 95 ARG H 1.800 . 4.280 3.022 1.810 4.063 . 0 0 "[ . 1 . 2]" 1
938 1 94 LYS H 1 94 LYS HG3 1.800 . 4.800 3.293 2.332 4.833 0.033 9 0 "[ . 1 . 2]" 1
939 1 94 LYS H 1 94 LYS HG2 1.800 . 4.800 3.641 1.774 4.688 0.026 4 0 "[ . 1 . 2]" 1
940 1 94 LYS H 1 95 ARG H 1.800 . 5.370 3.704 1.727 4.647 0.073 7 0 "[ . 1 . 2]" 1
941 1 95 ARG HA 1 95 ARG HG3 1.800 . 4.420 2.978 2.351 3.761 . 0 0 "[ . 1 . 2]" 1
942 1 95 ARG HA 1 95 ARG HG2 1.800 . 4.420 3.083 2.319 3.717 . 0 0 "[ . 1 . 2]" 1
943 1 95 ARG HA 1 96 PRO QD 1.800 . 3.600 2.352 2.078 3.479 . 0 0 "[ . 1 . 2]" 1
944 1 95 ARG QB 1 95 ARG QD 1.800 . 3.600 2.283 2.111 2.873 . 0 0 "[ . 1 . 2]" 1
945 1 95 ARG QB 1 96 PRO QD 1.800 . 4.760 3.409 2.158 3.828 . 0 0 "[ . 1 . 2]" 1
946 1 95 ARG QG 1 96 PRO QD 1.800 . 4.520 3.740 2.298 4.355 . 0 0 "[ . 1 . 2]" 1
947 1 95 ARG H 1 95 ARG HG3 1.800 . 5.240 3.796 2.026 4.798 . 0 0 "[ . 1 . 2]" 1
948 1 95 ARG H 1 95 ARG HG2 1.800 . 5.240 4.173 2.523 5.307 0.067 10 0 "[ . 1 . 2]" 1
949 1 96 PRO HA 1 97 LYS H 1.800 . 3.600 2.599 2.164 3.569 . 0 0 "[ . 1 . 2]" 1
950 1 96 PRO QB 1 97 LYS H 1.800 . 3.550 2.945 1.932 3.568 0.018 14 0 "[ . 1 . 2]" 1
951 1 96 PRO QG 1 97 LYS H 1.800 . 5.150 4.068 1.787 4.752 0.013 9 0 "[ . 1 . 2]" 1
952 1 97 LYS HA 1 98 LYS H 1.800 . 3.600 2.740 2.154 3.575 . 0 0 "[ . 1 . 2]" 1
953 1 97 LYS QG 1 98 LYS H 1.800 . 5.800 3.645 1.813 4.677 . 0 0 "[ . 1 . 2]" 1
954 1 97 LYS H 1 97 LYS QG 1.800 . 4.350 2.887 1.828 4.416 0.066 11 0 "[ . 1 . 2]" 1
955 1 98 LYS HA 1 99 LYS H 1.800 . 3.500 2.916 2.135 3.548 0.048 7 0 "[ . 1 . 2]" 1
956 1 98 LYS QG 1 99 LYS H 1.800 . 5.320 3.655 2.475 4.751 . 0 0 "[ . 1 . 2]" 1
957 1 98 LYS H 1 98 LYS HB3 1.800 . 4.280 3.453 2.417 4.094 . 0 0 "[ . 1 . 2]" 1
958 1 98 LYS H 1 98 LYS HB2 1.800 . 4.280 2.951 2.381 3.935 . 0 0 "[ . 1 . 2]" 1
959 1 99 LYS HA 1 99 LYS QG 1.800 . 3.850 2.513 2.218 3.326 . 0 0 "[ . 1 . 2]" 1
960 1 99 LYS HA 1 100 VAL QG 1.800 . 4.450 3.714 3.212 4.301 . 0 0 "[ . 1 . 2]" 1
961 1 99 LYS HA 1 100 VAL H 1.800 . 3.600 2.474 2.128 3.585 . 0 0 "[ . 1 . 2]" 1
962 1 99 LYS QB 1 100 VAL H 1.800 . 4.120 3.074 1.840 4.014 . 0 0 "[ . 1 . 2]" 1
963 1 99 LYS QG 1 100 VAL H 1.800 . 4.870 3.739 2.580 4.861 . 0 0 "[ . 1 . 2]" 1
964 1 99 LYS H 1 99 LYS QB 1.800 . 3.600 2.669 2.232 3.222 . 0 0 "[ . 1 . 2]" 1
965 1 99 LYS H 1 99 LYS QG 1.800 . 5.870 2.882 1.872 4.195 . 0 0 "[ . 1 . 2]" 1
966 1 100 VAL HA 1 100 VAL QG 1.800 . 3.600 2.206 2.060 2.347 . 0 0 "[ . 1 . 2]" 1
967 1 100 VAL HB 1 101 SER H 1.800 . 4.610 3.613 1.863 4.531 . 0 0 "[ . 1 . 2]" 1
968 1 100 VAL QG 1 101 SER HA 1.800 . 4.630 3.998 3.219 4.631 0.001 12 0 "[ . 1 . 2]" 1
969 1 100 VAL QG 1 101 SER QB 1.800 . 5.370 3.981 2.676 4.904 . 0 0 "[ . 1 . 2]" 1
970 1 100 VAL QG 1 101 SER H 1.800 . 4.370 3.057 1.785 3.746 0.015 5 0 "[ . 1 . 2]" 1
971 1 100 VAL H 1 100 VAL HB 1.800 . 3.700 3.177 2.408 3.965 0.265 14 0 "[ . 1 . 2]" 1
972 1 100 VAL H 1 100 VAL QG 1.800 . 4.200 2.032 1.736 2.784 0.064 1 0 "[ . 1 . 2]" 1
973 1 101 SER HA 1 102 VAL QG 1.800 . 4.920 3.654 3.144 4.771 . 0 0 "[ . 1 . 2]" 1
974 1 101 SER HA 1 102 VAL H 1.800 . 3.680 2.518 2.157 3.525 . 0 0 "[ . 1 . 2]" 1
975 1 101 SER QB 1 102 VAL QG 1.800 . 5.860 4.073 3.278 4.768 . 0 0 "[ . 1 . 2]" 1
976 1 101 SER QB 1 102 VAL H 1.800 . 4.000 3.242 2.461 4.040 0.040 12 0 "[ . 1 . 2]" 1
977 1 102 VAL HA 1 102 VAL QG 1.800 . 3.580 2.179 2.057 2.302 . 0 0 "[ . 1 . 2]" 1
978 1 102 VAL HB 1 103 GLU H 1.800 . 4.890 3.586 1.862 4.588 . 0 0 "[ . 1 . 2]" 1
979 1 102 VAL QG 1 103 GLU H 1.800 . 3.770 2.946 1.747 3.612 0.053 3 0 "[ . 1 . 2]" 1
980 1 102 VAL H 1 102 VAL HB 1.800 . 4.060 3.065 2.430 3.725 . 0 0 "[ . 1 . 2]" 1
981 1 102 VAL H 1 102 VAL QG 1.800 . 3.900 2.069 1.743 2.693 0.057 3 0 "[ . 1 . 2]" 1
982 1 102 VAL H 1 103 GLU H 1.800 . 4.640 3.900 2.267 4.547 . 0 0 "[ . 1 . 2]" 1
983 1 103 GLU HA 1 103 GLU QG 1.800 . 4.000 2.667 2.274 3.451 . 0 0 "[ . 1 . 2]" 1
984 1 103 GLU QB 1 104 LEU H 1.800 . 4.050 3.162 1.841 4.012 . 0 0 "[ . 1 . 2]" 1
985 1 103 GLU QG 1 104 LEU H 1.800 . 4.300 3.836 2.527 4.448 0.148 6 0 "[ . 1 . 2]" 1
986 1 103 GLU H 1 103 GLU QB 1.800 . 3.600 2.737 2.302 3.369 . 0 0 "[ . 1 . 2]" 1
987 1 104 LEU HA 1 104 LEU QD 1.800 . 4.030 2.258 1.979 3.290 . 0 0 "[ . 1 . 2]" 1
988 1 104 LEU HA 1 105 GLU H 1.800 . 3.600 2.579 2.129 3.533 . 0 0 "[ . 1 . 2]" 1
989 1 104 LEU QB 1 105 GLU H 1.800 . 4.070 3.002 1.783 3.879 0.017 1 0 "[ . 1 . 2]" 1
990 1 104 LEU HB3 1 104 LEU MD1 1.800 . 4.250 2.879 2.246 3.216 . 0 0 "[ . 1 . 2]" 1
991 1 104 LEU HB3 1 104 LEU MD2 1.800 . 4.250 2.439 2.212 3.222 . 0 0 "[ . 1 . 2]" 1
992 1 104 LEU HB2 1 104 LEU MD1 1.800 . 4.250 2.442 2.210 3.224 . 0 0 "[ . 1 . 2]" 1
993 1 104 LEU HB2 1 104 LEU MD2 1.800 . 4.250 2.614 2.154 3.212 . 0 0 "[ . 1 . 2]" 1
994 1 104 LEU QD 1 105 GLU H 1.800 . 4.680 3.268 1.909 4.449 . 0 0 "[ . 1 . 2]" 1
995 1 104 LEU HG 1 105 GLU H 1.800 . 6.050 4.061 2.328 5.107 . 0 0 "[ . 1 . 2]" 1
996 1 104 LEU H 1 104 LEU QB 1.800 . 3.600 2.652 1.976 3.401 . 0 0 "[ . 1 . 2]" 1
997 1 104 LEU H 1 104 LEU QD 1.800 . 4.900 2.982 1.766 4.036 0.034 14 0 "[ . 1 . 2]" 1
998 1 104 LEU H 1 104 LEU HG 1.800 . 6.000 3.664 1.758 4.861 0.042 14 0 "[ . 1 . 2]" 1
999 1 105 GLU H 1 105 GLU QB 1.800 . 3.600 2.538 2.235 2.962 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 96
_Distance_constraint_stats_list.Viol_count 237
_Distance_constraint_stats_list.Viol_total 156.778
_Distance_constraint_stats_list.Viol_max 0.127
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0331
_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 2 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.045 0.044 10 0 "[ . 1 . 2]"
1 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.065 0.028 19 0 "[ . 1 . 2]"
1 6 ALA 0.072 0.043 15 0 "[ . 1 . 2]"
1 7 ASP 0.060 0.044 10 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TRP 0.315 0.053 15 0 "[ . 1 . 2]"
1 10 LEU 0.311 0.062 18 0 "[ . 1 . 2]"
1 11 LYS 0.015 0.015 10 0 "[ . 1 . 2]"
1 12 GLN 0.588 0.087 12 0 "[ . 1 . 2]"
1 13 TYR 0.250 0.053 15 0 "[ . 1 . 2]"
1 14 ALA 0.239 0.062 18 0 "[ . 1 . 2]"
1 15 ASN 0.588 0.087 12 0 "[ . 1 . 2]"
1 19 VAL 0.027 0.027 17 0 "[ . 1 . 2]"
1 20 SER 0.241 0.065 15 0 "[ . 1 . 2]"
1 21 SER 0.160 0.064 3 0 "[ . 1 . 2]"
1 22 VAL 0.438 0.077 15 0 "[ . 1 . 2]"
1 23 ARG 0.507 0.096 9 0 "[ . 1 . 2]"
1 24 ALA 1.050 0.127 15 0 "[ . 1 . 2]"
1 25 ARG 0.194 0.064 3 0 "[ . 1 . 2]"
1 26 GLU 0.438 0.077 15 0 "[ . 1 . 2]"
1 27 LYS 0.480 0.096 9 0 "[ . 1 . 2]"
1 28 ALA 0.809 0.127 15 0 "[ . 1 . 2]"
1 29 ILE 0.349 0.089 11 0 "[ . 1 . 2]"
1 30 GLN 0.038 0.038 5 0 "[ . 1 . 2]"
1 31 HIS 0.127 0.055 9 0 "[ . 1 . 2]"
1 32 ALA 0.181 0.088 9 0 "[ . 1 . 2]"
1 33 ILE 0.316 0.089 11 0 "[ . 1 . 2]"
1 34 GLU 0.863 0.100 9 0 "[ . 1 . 2]"
1 35 ARG 0.127 0.055 9 0 "[ . 1 . 2]"
1 36 PHE 0.181 0.088 9 0 "[ . 1 . 2]"
1 37 ASN 0.824 0.100 9 0 "[ . 1 . 2]"
1 45 LYS 0.066 0.066 7 0 "[ . 1 . 2]"
1 46 LYS 0.058 0.046 4 0 "[ . 1 . 2]"
1 47 HIS 0.071 0.042 14 0 "[ . 1 . 2]"
1 48 ASP 0.021 0.021 14 0 "[ . 1 . 2]"
1 49 TYR 0.257 0.066 7 0 "[ . 1 . 2]"
1 50 GLN 0.107 0.046 4 0 "[ . 1 . 2]"
1 51 ARG 0.106 0.042 14 0 "[ . 1 . 2]"
1 52 PHE 0.021 0.021 14 0 "[ . 1 . 2]"
1 53 VAL 0.191 0.043 16 0 "[ . 1 . 2]"
1 54 ASP 0.049 0.044 14 0 "[ . 1 . 2]"
1 55 ASP 0.036 0.036 14 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.328 0.065 19 0 "[ . 1 . 2]"
1 64 TYR 0.052 0.040 3 0 "[ . 1 . 2]"
1 65 VAL 0.036 0.017 13 0 "[ . 1 . 2]"
1 66 ASP 0.328 0.065 19 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.103 0.040 3 0 "[ . 1 . 2]"
1 69 VAL 0.077 0.039 19 0 "[ . 1 . 2]"
1 70 ALA 0.104 0.039 7 0 "[ . 1 . 2]"
1 71 SER 0.176 0.049 14 0 "[ . 1 . 2]"
1 72 THR 0.503 0.090 16 0 "[ . 1 . 2]"
1 73 ASN 0.050 0.039 19 0 "[ . 1 . 2]"
1 74 MET 0.179 0.039 7 0 "[ . 1 . 2]"
1 75 ILE 0.537 0.106 19 0 "[ . 1 . 2]"
1 76 PHE 0.462 0.090 16 0 "[ . 1 . 2]"
1 77 LYS 0.017 0.008 19 0 "[ . 1 . 2]"
1 78 TYR 0.300 0.127 19 0 "[ . 1 . 2]"
1 79 ALA 0.814 0.106 19 0 "[ . 1 . 2]"
1 80 TYR 0.028 0.017 14 0 "[ . 1 . 2]"
1 81 ASP 0.008 0.008 19 0 "[ . 1 . 2]"
1 82 THR 0.226 0.127 19 0 "[ . 1 . 2]"
1 83 ARG 0.017 0.017 14 0 "[ . 1 . 2]"
1 84 LEU 0.452 0.088 16 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 2 PHE O 1 6 ALA H 1.700 . 2.300 1.946 1.751 2.281 . 0 0 "[ . 1 . 2]" 2
2 1 2 PHE O 1 6 ALA N 2.700 2.700 3.300 2.909 2.720 3.246 . 0 0 "[ . 1 . 2]" 2
3 1 3 LYS O 1 7 ASP H 1.700 . 2.300 1.907 1.756 2.157 . 0 0 "[ . 1 . 2]" 2
4 1 3 LYS O 1 7 ASP N 2.700 2.700 3.300 2.837 2.656 3.118 0.044 10 0 "[ . 1 . 2]" 2
5 1 4 GLN O 1 8 ASP H 1.700 . 2.300 1.988 1.811 2.293 . 0 0 "[ . 1 . 2]" 2
6 1 4 GLN O 1 8 ASP N 2.700 2.700 3.300 2.899 2.732 3.194 . 0 0 "[ . 1 . 2]" 2
7 1 5 VAL O 1 9 TRP H 1.700 . 2.300 2.145 1.868 2.328 0.028 19 0 "[ . 1 . 2]" 2
8 1 5 VAL O 1 9 TRP N 2.700 2.700 3.300 3.093 2.821 3.275 . 0 0 "[ . 1 . 2]" 2
9 1 6 ALA O 1 10 LEU H 1.700 . 2.300 2.109 1.859 2.343 0.043 15 0 "[ . 1 . 2]" 2
10 1 6 ALA O 1 10 LEU N 2.700 2.700 3.300 3.034 2.791 3.318 0.018 15 0 "[ . 1 . 2]" 2
11 1 7 ASP O 1 11 LYS H 1.700 . 2.300 2.080 1.759 2.298 . 0 0 "[ . 1 . 2]" 2
12 1 7 ASP O 1 11 LYS N 2.700 2.700 3.300 3.013 2.685 3.242 0.015 10 0 "[ . 1 . 2]" 2
13 1 9 TRP O 1 13 TYR H 1.700 . 2.300 1.820 1.725 2.144 . 0 0 "[ . 1 . 2]" 2
14 1 9 TRP O 1 13 TYR N 2.700 2.700 3.300 2.748 2.647 3.075 0.053 15 0 "[ . 1 . 2]" 2
15 1 10 LEU O 1 14 ALA H 1.700 . 2.300 2.228 1.847 2.338 0.038 15 0 "[ . 1 . 2]" 2
16 1 10 LEU O 1 14 ALA N 2.700 2.700 3.300 2.848 2.638 3.106 0.062 18 0 "[ . 1 . 2]" 2
17 1 12 GLN O 1 15 ASN H 1.700 . 2.300 2.306 2.069 2.387 0.087 12 0 "[ . 1 . 2]" 2
18 1 12 GLN O 1 15 ASN N 2.700 2.700 3.300 3.190 2.932 3.307 0.007 2 0 "[ . 1 . 2]" 2
19 1 19 VAL O 1 23 ARG H 1.700 . 2.300 2.064 1.735 2.288 . 0 0 "[ . 1 . 2]" 2
20 1 19 VAL O 1 23 ARG N 2.700 2.700 3.300 3.016 2.673 3.251 0.027 17 0 "[ . 1 . 2]" 2
21 1 20 SER O 1 24 ALA H 1.700 . 2.300 2.137 1.812 2.365 0.065 15 0 "[ . 1 . 2]" 2
22 1 20 SER O 1 24 ALA N 2.700 2.700 3.300 3.090 2.754 3.319 0.019 17 0 "[ . 1 . 2]" 2
23 1 21 SER O 1 25 ARG H 1.700 . 2.300 1.921 1.729 2.311 0.011 15 0 "[ . 1 . 2]" 2
24 1 21 SER O 1 25 ARG N 2.700 2.700 3.300 2.845 2.636 3.286 0.064 3 0 "[ . 1 . 2]" 2
25 1 22 VAL O 1 26 GLU H 1.700 . 2.300 1.818 1.687 2.121 0.013 15 0 "[ . 1 . 2]" 2
26 1 22 VAL O 1 26 GLU N 2.700 2.700 3.300 2.734 2.623 2.980 0.077 15 0 "[ . 1 . 2]" 2
27 1 23 ARG O 1 27 LYS H 1.700 . 2.300 2.246 2.059 2.396 0.096 9 0 "[ . 1 . 2]" 2
28 1 23 ARG O 1 27 LYS N 2.700 2.700 3.300 3.170 2.939 3.337 0.037 9 0 "[ . 1 . 2]" 2
29 1 24 ALA O 1 28 ALA H 1.700 . 2.300 2.300 1.966 2.427 0.127 15 0 "[ . 1 . 2]" 2
30 1 24 ALA O 1 28 ALA N 2.700 2.700 3.300 3.213 2.922 3.350 0.050 15 0 "[ . 1 . 2]" 2
31 1 25 ARG O 1 29 ILE H 1.700 . 2.300 2.078 1.794 2.318 0.018 9 0 "[ . 1 . 2]" 2
32 1 25 ARG O 1 29 ILE N 2.700 2.700 3.300 3.026 2.720 3.266 . 0 0 "[ . 1 . 2]" 2
33 1 29 ILE O 1 33 ILE H 1.700 . 2.300 2.126 1.753 2.389 0.089 11 0 "[ . 1 . 2]" 2
34 1 29 ILE O 1 33 ILE N 2.700 2.700 3.300 3.074 2.709 3.314 0.014 11 0 "[ . 1 . 2]" 2
35 1 30 GLN O 1 34 GLU H 1.700 . 2.300 2.003 1.715 2.300 0.000 4 0 "[ . 1 . 2]" 2
36 1 30 GLN O 1 34 GLU N 2.700 2.700 3.300 2.955 2.662 3.247 0.038 5 0 "[ . 1 . 2]" 2
37 1 31 HIS O 1 35 ARG H 1.700 . 2.300 2.062 1.770 2.355 0.055 9 0 "[ . 1 . 2]" 2
38 1 31 HIS O 1 35 ARG N 2.700 2.700 3.300 3.003 2.695 3.308 0.008 10 0 "[ . 1 . 2]" 2
39 1 32 ALA O 1 36 PHE H 1.700 . 2.300 1.990 1.771 2.388 0.088 9 0 "[ . 1 . 2]" 2
40 1 32 ALA O 1 36 PHE N 2.700 2.700 3.300 2.917 2.712 3.342 0.042 9 0 "[ . 1 . 2]" 2
41 1 34 GLU O 1 37 ASN H 1.700 . 2.300 2.320 2.179 2.400 0.100 9 0 "[ . 1 . 2]" 2
42 1 34 GLU O 1 37 ASN N 2.700 2.700 3.300 3.228 3.057 3.341 0.041 9 0 "[ . 1 . 2]" 2
43 1 45 LYS O 1 49 TYR H 1.700 . 2.300 2.041 1.801 2.366 0.066 7 0 "[ . 1 . 2]" 2
44 1 45 LYS O 1 49 TYR N 2.700 2.700 3.300 2.958 2.715 3.298 . 0 0 "[ . 1 . 2]" 2
45 1 46 LYS O 1 50 GLN H 1.700 . 2.300 2.080 1.744 2.346 0.046 4 0 "[ . 1 . 2]" 2
46 1 46 LYS O 1 50 GLN N 2.700 2.700 3.300 3.025 2.689 3.295 0.011 15 0 "[ . 1 . 2]" 2
47 1 47 HIS O 1 51 ARG H 1.700 . 2.300 2.151 1.926 2.342 0.042 14 0 "[ . 1 . 2]" 2
48 1 47 HIS O 1 51 ARG N 2.700 2.700 3.300 3.061 2.823 3.251 . 0 0 "[ . 1 . 2]" 2
49 1 48 ASP O 1 52 PHE H 1.700 . 2.300 2.129 1.848 2.321 0.021 14 0 "[ . 1 . 2]" 2
50 1 48 ASP O 1 52 PHE N 2.700 2.700 3.300 3.059 2.782 3.230 . 0 0 "[ . 1 . 2]" 2
51 1 49 TYR O 1 53 VAL H 1.700 . 2.300 2.255 2.069 2.343 0.043 16 0 "[ . 1 . 2]" 2
52 1 49 TYR O 1 53 VAL N 2.700 2.700 3.300 3.200 3.026 3.293 . 0 0 "[ . 1 . 2]" 2
53 1 50 GLN O 1 54 ASP H 1.700 . 2.300 2.134 2.020 2.344 0.044 14 0 "[ . 1 . 2]" 2
54 1 50 GLN O 1 54 ASP N 2.700 2.700 3.300 3.094 2.982 3.285 . 0 0 "[ . 1 . 2]" 2
55 1 51 ARG O 1 55 ASP H 1.700 . 2.300 2.000 1.863 2.336 0.036 14 0 "[ . 1 . 2]" 2
56 1 51 ARG O 1 55 ASP N 2.700 2.700 3.300 2.894 2.743 3.222 . 0 0 "[ . 1 . 2]" 2
57 1 52 PHE O 1 56 ILE H 1.700 . 2.300 2.140 2.055 2.262 . 0 0 "[ . 1 . 2]" 2
58 1 52 PHE O 1 56 ILE N 2.700 2.700 3.300 3.094 3.003 3.211 . 0 0 "[ . 1 . 2]" 2
59 1 53 VAL O 1 57 SER H 1.700 . 2.300 2.191 2.076 2.266 . 0 0 "[ . 1 . 2]" 2
60 1 53 VAL O 1 57 SER N 2.700 2.700 3.300 3.009 2.939 3.074 . 0 0 "[ . 1 . 2]" 2
61 1 62 LYS O 1 66 ASP H 1.700 . 2.300 2.233 1.991 2.365 0.065 19 0 "[ . 1 . 2]" 2
62 1 62 LYS O 1 66 ASP N 2.700 2.700 3.300 3.176 2.940 3.320 0.020 19 0 "[ . 1 . 2]" 2
63 1 64 TYR O 1 68 ILE H 1.700 . 2.300 2.092 1.840 2.340 0.040 3 0 "[ . 1 . 2]" 2
64 1 64 TYR O 1 68 ILE N 2.700 2.700 3.300 3.040 2.797 3.294 . 0 0 "[ . 1 . 2]" 2
65 1 65 VAL O 1 69 VAL H 1.700 . 2.300 1.774 1.724 1.945 . 0 0 "[ . 1 . 2]" 2
66 1 65 VAL O 1 69 VAL N 2.700 2.700 3.300 2.732 2.683 2.905 0.017 13 0 "[ . 1 . 2]" 2
67 1 66 ASP O 1 70 ALA H 1.700 . 2.300 2.112 1.994 2.247 . 0 0 "[ . 1 . 2]" 2
68 1 66 ASP O 1 70 ALA N 2.700 2.700 3.300 3.061 2.937 3.191 . 0 0 "[ . 1 . 2]" 2
69 1 67 SER O 1 71 SER H 1.700 . 2.300 2.093 1.890 2.239 . 0 0 "[ . 1 . 2]" 2
70 1 67 SER O 1 71 SER N 2.700 2.700 3.300 3.040 2.821 3.212 . 0 0 "[ . 1 . 2]" 2
71 1 68 ILE O 1 72 THR H 1.700 . 2.300 1.873 1.721 2.068 . 0 0 "[ . 1 . 2]" 2
72 1 68 ILE O 1 72 THR N 2.700 2.700 3.300 2.818 2.673 3.019 0.027 9 0 "[ . 1 . 2]" 2
73 1 69 VAL O 1 73 ASN H 1.700 . 2.300 1.982 1.720 2.303 0.003 7 0 "[ . 1 . 2]" 2
74 1 69 VAL O 1 73 ASN N 2.700 2.700 3.300 2.916 2.661 3.277 0.039 19 0 "[ . 1 . 2]" 2
75 1 70 ALA O 1 74 MET H 1.700 . 2.300 2.161 1.869 2.339 0.039 7 0 "[ . 1 . 2]" 2
76 1 70 ALA O 1 74 MET N 2.700 2.700 3.300 3.067 2.804 3.245 . 0 0 "[ . 1 . 2]" 2
77 1 71 SER O 1 75 ILE H 1.700 . 2.300 2.194 1.908 2.349 0.049 14 0 "[ . 1 . 2]" 2
78 1 71 SER O 1 75 ILE N 2.700 2.700 3.300 3.110 2.852 3.263 . 0 0 "[ . 1 . 2]" 2
79 1 72 THR O 1 76 PHE H 1.700 . 2.300 2.234 1.912 2.390 0.090 16 0 "[ . 1 . 2]" 2
80 1 72 THR O 1 76 PHE N 2.700 2.700 3.300 3.191 2.867 3.341 0.041 16 0 "[ . 1 . 2]" 2
81 1 73 ASN O 1 77 LYS H 1.700 . 2.300 1.938 1.750 2.202 . 0 0 "[ . 1 . 2]" 2
82 1 73 ASN O 1 77 LYS N 2.700 2.700 3.300 2.880 2.692 3.162 0.008 7 0 "[ . 1 . 2]" 2
83 1 74 MET O 1 78 TYR H 1.700 . 2.300 1.889 1.744 2.040 . 0 0 "[ . 1 . 2]" 2
84 1 74 MET O 1 78 TYR N 2.700 2.700 3.300 2.789 2.670 2.936 0.030 17 0 "[ . 1 . 2]" 2
85 1 75 ILE O 1 79 ALA H 1.700 . 2.300 2.250 2.001 2.406 0.106 19 0 "[ . 1 . 2]" 2
86 1 75 ILE O 1 79 ALA N 2.700 2.700 3.300 3.198 2.963 3.345 0.045 19 0 "[ . 1 . 2]" 2
87 1 76 PHE O 1 80 TYR H 1.700 . 2.300 2.132 1.978 2.311 0.011 12 0 "[ . 1 . 2]" 2
88 1 76 PHE O 1 80 TYR N 2.700 2.700 3.300 3.051 2.894 3.240 . 0 0 "[ . 1 . 2]" 2
89 1 77 LYS O 1 81 ASP H 1.700 . 2.300 2.002 1.816 2.308 0.008 19 0 "[ . 1 . 2]" 2
90 1 77 LYS O 1 81 ASP N 2.700 2.700 3.300 2.937 2.763 3.205 . 0 0 "[ . 1 . 2]" 2
91 1 78 TYR O 1 82 THR H 1.700 . 2.300 2.248 2.047 2.427 0.127 19 0 "[ . 1 . 2]" 2
92 1 78 TYR O 1 82 THR N 2.700 2.700 3.300 3.141 2.945 3.273 . 0 0 "[ . 1 . 2]" 2
93 1 80 TYR O 1 83 ARG H 1.700 . 2.300 2.043 1.934 2.317 0.017 14 0 "[ . 1 . 2]" 2
94 1 80 TYR O 1 83 ARG N 2.700 2.700 3.300 2.884 2.787 2.995 . 0 0 "[ . 1 . 2]" 2
95 1 79 ALA O 1 84 LEU H 1.700 . 2.300 2.261 1.897 2.388 0.088 16 0 "[ . 1 . 2]" 2
96 1 79 ALA O 1 84 LEU N 2.700 2.700 3.300 3.151 2.750 3.258 . 0 0 "[ . 1 . 2]" 2
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