NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
458294 |
2kvo   |
16782 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kvo
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 1447
_Distance_constraint_stats_list.Viol_count 673
_Distance_constraint_stats_list.Viol_total 756.211
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0120
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0562
_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 ALA 0.255 0.073 12 0 "[ . 1 . 2]"
1 3 GLU 0.491 0.115 13 0 "[ . 1 . 2]"
1 4 ILE 0.312 0.102 6 0 "[ . 1 . 2]"
1 5 GLN 0.266 0.115 8 0 "[ . 1 . 2]"
1 6 PHE 0.472 0.115 8 0 "[ . 1 . 2]"
1 7 SER 0.293 0.084 16 0 "[ . 1 . 2]"
1 8 LYS 0.556 0.101 6 0 "[ . 1 . 2]"
1 9 GLY 0.375 0.250 20 0 "[ . 1 . 2]"
1 10 VAL 1.555 0.250 20 0 "[ . 1 . 2]"
1 11 ALA 0.960 0.185 5 0 "[ . 1 . 2]"
1 12 GLU 0.891 0.130 15 0 "[ . 1 . 2]"
1 13 THR 0.530 0.116 1 0 "[ . 1 . 2]"
1 14 VAL 1.551 0.236 9 0 "[ . 1 . 2]"
1 15 VAL 1.166 0.201 6 0 "[ . 1 . 2]"
1 16 PRO 0.482 0.201 6 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 0.754 0.092 12 0 "[ . 1 . 2]"
1 19 ARG 0.189 0.189 12 0 "[ . 1 . 2]"
1 20 LEU 0.818 0.189 12 0 "[ . 1 . 2]"
1 21 SER 0.592 0.111 9 0 "[ . 1 . 2]"
1 22 LYS 0.512 0.119 20 0 "[ . 1 . 2]"
1 23 SER 0.444 0.119 20 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 20 0 "[ . 1 . 2]"
1 25 ASN 0.037 0.037 16 0 "[ . 1 . 2]"
1 26 GLY 0.426 0.087 10 0 "[ . 1 . 2]"
1 27 GLN 0.511 0.181 20 0 "[ . 1 . 2]"
1 28 SER 0.721 0.160 12 0 "[ . 1 . 2]"
1 29 GLY 0.579 0.160 12 0 "[ . 1 . 2]"
1 30 MET 1.345 0.191 2 0 "[ . 1 . 2]"
1 31 ALA 0.123 0.097 16 0 "[ . 1 . 2]"
1 32 LYS 0.621 0.160 9 0 "[ . 1 . 2]"
1 33 PHE 0.822 0.097 16 0 "[ . 1 . 2]"
1 34 TYR 0.398 0.083 12 0 "[ . 1 . 2]"
1 35 PHE 0.460 0.139 14 0 "[ . 1 . 2]"
1 36 LEU 0.206 0.076 5 0 "[ . 1 . 2]"
1 37 GLU 0.111 0.104 18 0 "[ . 1 . 2]"
1 38 PRO 0.324 0.092 6 0 "[ . 1 . 2]"
1 39 THR 0.329 0.097 4 0 "[ . 1 . 2]"
1 40 ILE 1.799 0.159 10 0 "[ . 1 . 2]"
1 41 LEU 0.232 0.104 18 0 "[ . 1 . 2]"
1 42 ALA 0.288 0.108 13 0 "[ . 1 . 2]"
1 43 LYS 0.122 0.050 20 0 "[ . 1 . 2]"
1 44 GLU 0.719 0.208 10 0 "[ . 1 . 2]"
1 45 SER 0.021 0.016 7 0 "[ . 1 . 2]"
1 46 THR 0.139 0.058 13 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.104 0.099 18 0 "[ . 1 . 2]"
1 49 ILE 1.792 0.183 16 0 "[ . 1 . 2]"
1 50 THR 0.634 0.183 16 0 "[ . 1 . 2]"
1 51 GLY 0.294 0.074 3 0 "[ . 1 . 2]"
1 52 MET 0.597 0.111 9 0 "[ . 1 . 2]"
1 53 TYR 0.171 0.072 12 0 "[ . 1 . 2]"
1 54 LEU 0.251 0.069 1 0 "[ . 1 . 2]"
1 55 ILE 2.225 0.248 17 0 "[ . 1 . 2]"
1 56 ASP 0.676 0.103 17 0 "[ . 1 . 2]"
1 57 ASP 0.571 0.248 5 0 "[ . 1 . 2]"
1 58 GLU 1.328 0.248 5 0 "[ . 1 . 2]"
1 59 GLY 0.939 0.187 16 0 "[ . 1 . 2]"
1 60 GLU 0.995 0.248 17 0 "[ . 1 . 2]"
1 61 ILE 1.305 0.212 8 0 "[ . 1 . 2]"
1 62 ILE 0.527 0.087 5 0 "[ . 1 . 2]"
1 63 THR 0.615 0.111 9 0 "[ . 1 . 2]"
1 64 ARG 0.676 0.082 4 0 "[ . 1 . 2]"
1 65 GLU 0.269 0.088 5 0 "[ . 1 . 2]"
1 66 VAL 1.236 0.131 17 0 "[ . 1 . 2]"
1 67 LYS 0.502 0.142 17 0 "[ . 1 . 2]"
1 68 GLY 0.243 0.142 17 0 "[ . 1 . 2]"
1 69 LYS 1.012 0.216 3 0 "[ . 1 . 2]"
1 70 PHE 0.085 0.085 16 0 "[ . 1 . 2]"
1 71 ILE 0.976 0.229 12 0 "[ . 1 . 2]"
1 72 ASN 0.293 0.065 20 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ARG 0.620 0.139 17 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 THR 1.629 0.229 12 0 "[ . 1 . 2]"
1 77 ALA 0.967 0.102 13 0 "[ . 1 . 2]"
1 78 ILE 1.065 0.131 17 0 "[ . 1 . 2]"
1 79 GLU 0.865 0.216 3 0 "[ . 1 . 2]"
1 80 ALA 0.301 0.088 20 0 "[ . 1 . 2]"
1 81 THR 0.182 0.083 17 0 "[ . 1 . 2]"
1 82 VAL 0.197 0.063 6 0 "[ . 1 . 2]"
1 83 ILE 0.823 0.191 2 0 "[ . 1 . 2]"
1 84 LEU 0.590 0.242 17 0 "[ . 1 . 2]"
1 85 ASN 0.703 0.242 17 0 "[ . 1 . 2]"
1 86 SER 0.127 0.092 17 0 "[ . 1 . 2]"
1 87 GLN 0.164 0.052 8 0 "[ . 1 . 2]"
1 88 PRO 0.007 0.007 4 0 "[ . 1 . 2]"
1 89 GLU 0.620 0.092 17 0 "[ . 1 . 2]"
1 90 TRP 0.355 0.084 12 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ARG 1.022 0.324 20 0 "[ . 1 . 2]"
1 93 PHE 0.350 0.129 6 0 "[ . 1 . 2]"
1 94 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PHE 0.077 0.057 9 0 "[ . 1 . 2]"
1 97 MET 0.119 0.061 14 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ARG 0.148 0.051 10 0 "[ . 1 . 2]"
1 100 TYR 0.880 0.133 16 0 "[ . 1 . 2]"
1 101 GLY 0.541 0.347 8 0 "[ . 1 . 2]"
1 102 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.038 0.038 16 0 "[ . 1 . 2]"
1 104 ASN 1.633 0.358 13 0 "[ . 1 . 2]"
1 105 GLY 1.038 0.225 14 0 "[ . 1 . 2]"
1 106 LEU 3.779 0.358 13 0 "[ . 1 . 2]"
1 107 GLY 0.253 0.080 1 0 "[ . 1 . 2]"
1 108 PHE 0.329 0.138 12 0 "[ . 1 . 2]"
1 109 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LYS 1.252 0.232 13 0 "[ . 1 . 2]"
1 111 SER 0.454 0.102 17 0 "[ . 1 . 2]"
1 112 GLU 0.197 0.197 14 0 "[ . 1 . 2]"
1 113 LEU 2.674 0.298 6 0 "[ . 1 . 2]"
1 114 GLU 1.653 0.277 13 0 "[ . 1 . 2]"
1 115 HIS 0.062 0.056 5 0 "[ . 1 . 2]"
1 119 HIS 0.306 0.157 11 0 "[ . 1 . 2]"
1 120 HIS 0.306 0.157 11 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 ALA HA 1 3 GLU H 1.800 . 3.800 2.484 2.166 3.577 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 GLU H 1.800 . 3.890 3.076 1.807 3.617 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 56 ASP QB 1.800 . 4.800 3.812 2.133 4.844 0.044 20 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 96 PHE HA 1.800 . 4.800 3.866 2.855 4.820 0.020 12 0 "[ . 1 . 2]" 1
5 1 2 ALA MB 1 100 TYR HA 1.800 . 4.400 3.201 2.360 4.397 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA MB 1 100 TYR QB 1.800 . 4.600 3.084 2.245 4.183 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 100 TYR QD 1.800 . 4.080 3.144 2.238 4.099 0.019 2 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 100 TYR H 1.800 . 4.470 3.833 2.981 4.543 0.073 12 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 4 ILE QG 1.800 . 5.800 3.546 3.231 4.215 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HA 1 4 ILE H 1.800 . 3.340 2.298 2.155 2.449 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HA 1 100 TYR QD 1.800 . 4.320 3.739 2.958 4.374 0.054 20 0 "[ . 1 . 2]" 1
12 1 3 GLU HA 1 100 TYR QE 1.800 . 4.460 3.578 2.360 4.445 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU QB 1 4 ILE H 1.800 . 3.750 2.806 2.373 3.701 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLU QB 1 5 GLN QE 1.800 . 5.800 4.095 1.939 5.798 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU QB 1 55 ILE HB 1.800 . 4.890 4.128 2.317 4.939 0.049 10 0 "[ . 1 . 2]" 1
16 1 3 GLU QB 1 55 ILE MG 1.800 . 5.800 4.470 2.687 5.333 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU QG 1 4 ILE HA 1.800 . 5.000 4.009 3.689 4.263 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU QG 1 4 ILE H 1.800 . 5.000 3.530 2.512 3.891 . 0 0 "[ . 1 . 2]" 1
19 1 3 GLU QG 1 5 GLN QE 1.800 . 4.580 2.878 1.949 4.477 . 0 0 "[ . 1 . 2]" 1
20 1 3 GLU QG 1 55 ILE HA 1.800 . 6.000 5.067 4.501 6.084 0.084 20 0 "[ . 1 . 2]" 1
21 1 3 GLU QG 1 55 ILE HB 1.800 . 4.040 2.560 2.104 3.365 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLU QG 1 55 ILE MD 1.800 . 4.800 3.534 2.525 4.673 . 0 0 "[ . 1 . 2]" 1
23 1 3 GLU QG 1 55 ILE MG 1.800 . 4.800 3.151 2.448 4.199 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLU QG 1 55 ILE H 1.800 . 4.770 3.750 2.969 4.440 . 0 0 "[ . 1 . 2]" 1
25 1 3 GLU HG3 1 4 ILE H 1.800 . 5.270 3.695 2.665 4.091 . 0 0 "[ . 1 . 2]" 1
26 1 3 GLU HG2 1 4 ILE H 1.800 . 5.270 4.549 2.807 4.938 . 0 0 "[ . 1 . 2]" 1
27 1 3 GLU H 1 3 GLU HG3 1.800 . 4.750 3.415 2.662 4.770 0.020 13 0 "[ . 1 . 2]" 1
28 1 3 GLU H 1 3 GLU HG2 1.800 . 4.900 2.723 2.017 4.885 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLU H 1 4 ILE H 1.800 . 4.820 4.370 4.216 4.534 . 0 0 "[ . 1 . 2]" 1
30 1 3 GLU H 1 55 ILE HB 1.800 . 4.250 3.375 2.198 4.365 0.115 13 0 "[ . 1 . 2]" 1
31 1 3 GLU H 1 55 ILE MG 1.800 . 4.860 3.762 2.638 4.761 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLU H 1 55 ILE H 1.800 . 4.320 3.666 3.278 4.156 . 0 0 "[ . 1 . 2]" 1
33 1 3 GLU H 1 56 ASP HA 1.800 . 4.940 3.824 2.737 4.615 . 0 0 "[ . 1 . 2]" 1
34 1 3 GLU H 1 100 TYR QD 1.800 . 5.800 4.897 4.040 5.678 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HA 1 4 ILE MD 1.800 . 4.540 3.605 2.140 3.851 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE HA 1 4 ILE MG 1.800 . 3.740 2.300 2.187 2.333 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE HA 1 5 GLN QG 1.800 . 4.990 3.659 3.303 3.907 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HA 1 5 GLN H 1.800 . 3.320 2.181 2.132 2.229 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE HA 1 54 LEU HA 1.800 . 4.800 2.891 2.483 3.212 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE HA 1 54 LEU MD2 1.800 . 4.640 3.073 2.390 4.504 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE HA 1 55 ILE H 1.800 . 4.000 3.246 2.646 3.857 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE HB 1 4 ILE MD 1.800 . 3.740 2.376 2.202 3.216 . 0 0 "[ . 1 . 2]" 1
43 1 4 ILE HB 1 5 GLN H 1.800 . 4.710 4.185 4.014 4.246 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE MD 1 16 PRO QD 1.800 . 4.210 3.368 2.135 4.312 0.102 6 0 "[ . 1 . 2]" 1
45 1 4 ILE MD 1 33 PHE QD 1.800 . 4.000 3.463 2.723 4.071 0.071 17 0 "[ . 1 . 2]" 1
46 1 4 ILE MD 1 54 LEU HA 1.800 . 5.800 4.875 3.115 5.652 . 0 0 "[ . 1 . 2]" 1
47 1 4 ILE MD 1 54 LEU MD2 1.800 . 3.800 3.048 1.831 3.645 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE MD 1 100 TYR QD 1.800 . 5.800 4.134 2.560 5.224 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE MD 1 100 TYR QE 1.800 . 4.680 3.586 2.600 4.708 0.028 6 0 "[ . 1 . 2]" 1
50 1 4 ILE QG 1 16 PRO QD 1.800 . 5.800 4.709 2.842 5.518 . 0 0 "[ . 1 . 2]" 1
51 1 4 ILE QG 1 100 TYR QD 1.800 . 5.800 4.353 3.204 5.773 . 0 0 "[ . 1 . 2]" 1
52 1 4 ILE HG13 1 54 LEU MD2 1.800 . 4.440 3.472 2.191 4.107 . 0 0 "[ . 1 . 2]" 1
53 1 4 ILE HG12 1 54 LEU MD2 1.800 . 4.440 2.459 2.090 4.344 . 0 0 "[ . 1 . 2]" 1
54 1 4 ILE MD 1 4 ILE MG 1.800 . 3.170 2.066 1.812 3.121 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE QG 1 4 ILE MG 1.800 . 4.600 2.247 2.031 2.300 . 0 0 "[ . 1 . 2]" 1
56 1 4 ILE MG 1 5 GLN H 1.800 . 3.770 2.638 2.500 2.826 . 0 0 "[ . 1 . 2]" 1
57 1 4 ILE MG 1 52 MET HA 1.800 . 5.800 4.849 4.019 5.619 . 0 0 "[ . 1 . 2]" 1
58 1 4 ILE MG 1 52 MET QG 1.800 . 3.720 2.744 2.094 3.754 0.034 1 0 "[ . 1 . 2]" 1
59 1 4 ILE MG 1 53 TYR H 1.800 . 4.950 4.241 3.711 4.963 0.013 8 0 "[ . 1 . 2]" 1
60 1 4 ILE MG 1 54 LEU HA 1.800 . 4.880 3.524 2.587 4.144 . 0 0 "[ . 1 . 2]" 1
61 1 4 ILE MG 1 54 LEU MD2 1.800 . 3.230 2.339 2.085 3.148 . 0 0 "[ . 1 . 2]" 1
62 1 4 ILE MG 1 55 ILE H 1.800 . 5.800 4.737 4.044 5.236 . 0 0 "[ . 1 . 2]" 1
63 1 4 ILE H 1 4 ILE HB 1.800 . 3.840 2.557 2.504 2.786 . 0 0 "[ . 1 . 2]" 1
64 1 4 ILE H 1 4 ILE MD 1.800 . 4.790 3.414 2.022 3.887 . 0 0 "[ . 1 . 2]" 1
65 1 4 ILE H 1 4 ILE QG 1.800 . 4.500 2.676 2.058 3.305 . 0 0 "[ . 1 . 2]" 1
66 1 4 ILE H 1 4 ILE MG 1.800 . 4.630 3.825 3.806 3.859 . 0 0 "[ . 1 . 2]" 1
67 1 4 ILE H 1 100 TYR QD 1.800 . 5.800 5.126 3.981 5.820 0.020 6 0 "[ . 1 . 2]" 1
68 1 4 ILE H 1 100 TYR QE 1.800 . 4.770 4.148 2.734 4.775 0.005 16 0 "[ . 1 . 2]" 1
69 1 5 GLN HA 1 5 GLN QE 1.800 . 5.800 4.824 3.575 5.583 . 0 0 "[ . 1 . 2]" 1
70 1 5 GLN HA 1 6 PHE H 1.800 . 3.400 2.227 2.149 2.384 . 0 0 "[ . 1 . 2]" 1
71 1 5 GLN HA 1 52 MET QG 1.800 . 5.800 5.163 4.455 5.846 0.046 6 0 "[ . 1 . 2]" 1
72 1 5 GLN HE21 1 55 ILE MD 1.800 . 4.830 3.638 1.797 4.933 0.103 19 0 "[ . 1 . 2]" 1
73 1 5 GLN HE22 1 55 ILE MD 1.800 . 4.830 3.995 3.180 4.945 0.115 8 0 "[ . 1 . 2]" 1
74 1 5 GLN H 1 5 GLN QG 1.800 . 4.580 2.726 2.215 3.185 . 0 0 "[ . 1 . 2]" 1
75 1 5 GLN H 1 52 MET QG 1.800 . 5.800 3.966 3.368 5.209 . 0 0 "[ . 1 . 2]" 1
76 1 5 GLN H 1 53 TYR H 1.800 . 4.600 3.891 3.480 4.313 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLN H 1 54 LEU HA 1.800 . 5.000 3.531 2.903 3.972 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLN H 1 54 LEU MD2 1.800 . 5.800 3.866 3.223 5.636 . 0 0 "[ . 1 . 2]" 1
79 1 5 GLN H 1 55 ILE MD 1.800 . 5.800 3.738 2.642 5.595 . 0 0 "[ . 1 . 2]" 1
80 1 6 PHE HA 1 6 PHE QD 1.800 . 4.000 2.688 2.325 2.957 . 0 0 "[ . 1 . 2]" 1
81 1 6 PHE HA 1 7 SER H 1.800 . 3.700 3.466 3.311 3.578 . 0 0 "[ . 1 . 2]" 1
82 1 6 PHE HA 1 40 ILE MD 1.800 . 5.800 4.843 4.349 5.525 . 0 0 "[ . 1 . 2]" 1
83 1 6 PHE HA 1 49 ILE MG 1.800 . 5.800 4.068 3.620 4.762 . 0 0 "[ . 1 . 2]" 1
84 1 6 PHE HA 1 52 MET HA 1.800 . 5.000 2.836 2.356 4.224 . 0 0 "[ . 1 . 2]" 1
85 1 6 PHE HA 1 53 TYR QD 1.800 . 5.040 3.128 2.331 4.377 . 0 0 "[ . 1 . 2]" 1
86 1 6 PHE HA 1 53 TYR H 1.800 . 4.680 2.885 2.147 4.026 . 0 0 "[ . 1 . 2]" 1
87 1 6 PHE QB 1 40 ILE QG 1.800 . 5.420 3.353 2.082 4.527 . 0 0 "[ . 1 . 2]" 1
88 1 6 PHE QB 1 40 ILE MG 1.800 . 4.860 3.981 3.384 4.605 . 0 0 "[ . 1 . 2]" 1
89 1 6 PHE QB 1 49 ILE QG 1.800 . 5.460 2.924 2.502 3.449 . 0 0 "[ . 1 . 2]" 1
90 1 6 PHE HB3 1 7 SER H 1.800 . 4.580 3.676 2.735 4.224 . 0 0 "[ . 1 . 2]" 1
91 1 6 PHE HB3 1 40 ILE MD 1.800 . 4.920 3.371 2.684 4.265 . 0 0 "[ . 1 . 2]" 1
92 1 6 PHE HB3 1 49 ILE MG 1.800 . 4.480 2.717 2.234 3.471 . 0 0 "[ . 1 . 2]" 1
93 1 6 PHE HB2 1 7 SER H 1.800 . 4.580 2.820 1.951 3.492 . 0 0 "[ . 1 . 2]" 1
94 1 6 PHE HB2 1 40 ILE MD 1.800 . 4.920 2.380 2.046 2.993 . 0 0 "[ . 1 . 2]" 1
95 1 6 PHE HB2 1 49 ILE MG 1.800 . 5.000 4.020 3.508 4.885 . 0 0 "[ . 1 . 2]" 1
96 1 6 PHE QD 1 7 SER H 1.800 . 5.600 4.239 3.874 4.662 . 0 0 "[ . 1 . 2]" 1
97 1 6 PHE QD 1 40 ILE HB 1.800 . 4.460 3.656 2.386 4.556 0.096 6 0 "[ . 1 . 2]" 1
98 1 6 PHE QD 1 40 ILE MD 1.800 . 5.080 2.865 2.283 3.524 . 0 0 "[ . 1 . 2]" 1
99 1 6 PHE QD 1 40 ILE MG 1.800 . 4.090 3.569 2.699 4.205 0.115 8 0 "[ . 1 . 2]" 1
100 1 6 PHE QD 1 49 ILE MD 1.800 . 4.980 3.405 2.491 4.149 . 0 0 "[ . 1 . 2]" 1
101 1 6 PHE QD 1 49 ILE MG 1.800 . 3.850 2.374 2.106 3.170 . 0 0 "[ . 1 . 2]" 1
102 1 6 PHE QD 1 52 MET QB 1.800 . 5.210 3.556 2.958 4.469 . 0 0 "[ . 1 . 2]" 1
103 1 6 PHE QD 1 66 VAL MG1 1.800 . 4.570 3.604 2.802 4.403 . 0 0 "[ . 1 . 2]" 1
104 1 6 PHE QD 1 66 VAL MG2 1.800 . 4.610 3.953 3.025 4.651 0.041 17 0 "[ . 1 . 2]" 1
105 1 6 PHE QD 1 78 ILE MD 1.800 . 4.760 4.417 4.004 4.818 0.058 5 0 "[ . 1 . 2]" 1
106 1 6 PHE QE 1 40 ILE MG 1.800 . 5.270 3.795 2.606 4.796 . 0 0 "[ . 1 . 2]" 1
107 1 6 PHE QE 1 52 MET QB 1.800 . 5.270 3.107 2.328 4.451 . 0 0 "[ . 1 . 2]" 1
108 1 6 PHE QE 1 66 VAL MG1 1.800 . 4.250 2.941 2.149 3.756 . 0 0 "[ . 1 . 2]" 1
109 1 6 PHE QE 1 66 VAL MG2 1.800 . 4.990 3.604 2.389 4.844 . 0 0 "[ . 1 . 2]" 1
110 1 6 PHE QE 1 78 ILE MD 1.800 . 4.840 3.772 3.002 4.290 . 0 0 "[ . 1 . 2]" 1
111 1 6 PHE QE 1 78 ILE MG 1.800 . 4.160 3.265 2.084 4.094 . 0 0 "[ . 1 . 2]" 1
112 1 6 PHE H 1 6 PHE QD 1.800 . 5.250 2.620 2.132 3.238 . 0 0 "[ . 1 . 2]" 1
113 1 6 PHE H 1 7 SER H 1.800 . 4.840 2.383 2.030 3.011 . 0 0 "[ . 1 . 2]" 1
114 1 6 PHE H 1 40 ILE MD 1.800 . 5.530 3.621 3.079 4.233 . 0 0 "[ . 1 . 2]" 1
115 1 7 SER HA 1 8 LYS HA 1.800 . 5.100 4.579 4.353 5.102 0.002 12 0 "[ . 1 . 2]" 1
116 1 7 SER HA 1 8 LYS H 1.800 . 3.500 2.626 2.111 3.584 0.084 16 0 "[ . 1 . 2]" 1
117 1 7 SER HA 1 8 LYS QG 1.800 . 4.740 3.719 3.020 4.048 . 0 0 "[ . 1 . 2]" 1
118 1 7 SER QB 1 8 LYS H 1.800 . 4.200 3.061 1.916 4.031 . 0 0 "[ . 1 . 2]" 1
119 1 7 SER QB 1 10 VAL HB 1.800 . 4.700 4.132 2.645 4.737 0.037 6 0 "[ . 1 . 2]" 1
120 1 7 SER QB 1 10 VAL MG1 1.800 . 4.300 3.577 2.061 4.381 0.081 16 0 "[ . 1 . 2]" 1
121 1 7 SER QB 1 10 VAL MG2 1.800 . 3.960 2.653 2.013 3.954 . 0 0 "[ . 1 . 2]" 1
122 1 7 SER QB 1 40 ILE MD 1.800 . 3.940 3.260 2.396 3.979 0.039 20 0 "[ . 1 . 2]" 1
123 1 7 SER H 1 7 SER QB 1.800 . 3.710 2.629 2.285 3.001 . 0 0 "[ . 1 . 2]" 1
124 1 7 SER H 1 8 LYS H 1.800 . 4.790 3.733 1.943 4.613 . 0 0 "[ . 1 . 2]" 1
125 1 7 SER H 1 40 ILE MD 1.800 . 4.610 3.625 2.680 4.569 . 0 0 "[ . 1 . 2]" 1
126 1 8 LYS HA 1 8 LYS QD 1.800 . 4.470 3.968 2.184 4.486 0.016 11 0 "[ . 1 . 2]" 1
127 1 8 LYS HA 1 8 LYS HG3 1.800 . 4.150 3.103 2.882 3.782 . 0 0 "[ . 1 . 2]" 1
128 1 8 LYS HA 1 8 LYS HG2 1.800 . 4.150 2.636 2.345 3.694 . 0 0 "[ . 1 . 2]" 1
129 1 8 LYS HA 1 9 GLY QA 1.800 . 5.000 4.010 3.929 4.114 . 0 0 "[ . 1 . 2]" 1
130 1 8 LYS HA 1 9 GLY H 1.800 . 2.890 2.371 2.144 2.954 0.064 18 0 "[ . 1 . 2]" 1
131 1 8 LYS HA 1 10 VAL H 1.800 . 5.000 3.961 3.239 5.101 0.101 6 0 "[ . 1 . 2]" 1
132 1 8 LYS HB3 1 8 LYS QE 1.800 . 4.790 3.398 2.210 4.224 . 0 0 "[ . 1 . 2]" 1
133 1 8 LYS HB3 1 9 GLY H 1.800 . 5.000 3.309 1.756 4.675 0.044 16 0 "[ . 1 . 2]" 1
134 1 8 LYS HB2 1 8 LYS QE 1.800 . 4.790 3.459 2.211 4.257 . 0 0 "[ . 1 . 2]" 1
135 1 8 LYS HB2 1 9 GLY H 1.800 . 5.000 3.924 2.933 4.462 . 0 0 "[ . 1 . 2]" 1
136 1 8 LYS QG 1 9 GLY H 1.800 . 4.800 4.015 3.649 4.582 . 0 0 "[ . 1 . 2]" 1
137 1 8 LYS H 1 8 LYS HB3 1.800 . 4.100 3.646 2.475 4.107 0.007 12 0 "[ . 1 . 2]" 1
138 1 8 LYS H 1 8 LYS HB2 1.800 . 3.950 2.961 2.381 3.984 0.034 13 0 "[ . 1 . 2]" 1
139 1 8 LYS H 1 8 LYS QD 1.800 . 5.200 4.129 3.529 4.976 . 0 0 "[ . 1 . 2]" 1
140 1 8 LYS H 1 8 LYS QG 1.800 . 4.500 2.464 1.748 3.188 0.052 11 0 "[ . 1 . 2]" 1
141 1 8 LYS H 1 9 GLY H 1.800 . 4.930 4.223 2.797 4.679 . 0 0 "[ . 1 . 2]" 1
142 1 8 LYS H 1 10 VAL MG2 1.800 . 5.400 4.098 2.628 5.436 0.036 18 0 "[ . 1 . 2]" 1
143 1 9 GLY QA 1 10 VAL H 1.800 . 3.430 2.730 2.263 2.933 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLY H 1 10 VAL MG2 1.800 . 5.290 3.939 2.554 5.540 0.250 20 0 "[ . 1 . 2]" 1
145 1 10 VAL HA 1 10 VAL MG1 1.800 . 3.370 2.375 2.223 3.217 . 0 0 "[ . 1 . 2]" 1
146 1 10 VAL HA 1 10 VAL MG2 1.800 . 3.430 2.539 2.226 3.205 . 0 0 "[ . 1 . 2]" 1
147 1 10 VAL HA 1 11 ALA MB 1.800 . 4.800 4.069 3.861 4.498 . 0 0 "[ . 1 . 2]" 1
148 1 10 VAL HA 1 11 ALA H 1.800 . 3.600 2.686 2.135 3.574 . 0 0 "[ . 1 . 2]" 1
149 1 10 VAL HB 1 11 ALA H 1.800 . 4.640 3.372 1.687 4.471 0.113 18 0 "[ . 1 . 2]" 1
150 1 10 VAL MG1 1 11 ALA HA 1.800 . 5.700 4.431 3.245 5.625 . 0 0 "[ . 1 . 2]" 1
151 1 10 VAL MG1 1 11 ALA H 1.800 . 3.500 2.982 2.085 3.685 0.185 5 0 "[ . 1 . 2]" 1
152 1 10 VAL MG2 1 11 ALA H 1.800 . 4.800 3.737 1.966 4.273 . 0 0 "[ . 1 . 2]" 1
153 1 10 VAL H 1 10 VAL HB 1.800 . 3.800 2.884 2.378 3.948 0.148 18 0 "[ . 1 . 2]" 1
154 1 10 VAL H 1 10 VAL MG1 1.800 . 4.230 3.443 1.938 4.004 . 0 0 "[ . 1 . 2]" 1
155 1 10 VAL H 1 10 VAL MG2 1.800 . 3.700 2.445 1.781 3.817 0.117 20 0 "[ . 1 . 2]" 1
156 1 10 VAL H 1 11 ALA H 1.800 . 5.000 3.791 1.987 4.589 . 0 0 "[ . 1 . 2]" 1
157 1 11 ALA HA 1 12 GLU H 1.800 . 3.300 2.474 2.135 3.430 0.130 15 0 "[ . 1 . 2]" 1
158 1 11 ALA MB 1 12 GLU H 1.800 . 3.750 2.894 1.747 3.742 0.053 17 0 "[ . 1 . 2]" 1
159 1 11 ALA H 1 11 ALA MB 1.800 . 3.030 2.567 2.206 2.977 . 0 0 "[ . 1 . 2]" 1
160 1 11 ALA H 1 12 GLU H 1.800 . 5.000 4.017 2.372 4.653 . 0 0 "[ . 1 . 2]" 1
161 1 12 GLU HA 1 13 THR H 1.800 . 3.500 2.726 2.140 3.565 0.065 8 0 "[ . 1 . 2]" 1
162 1 12 GLU QG 1 13 THR H 1.800 . 4.510 3.755 2.284 4.626 0.116 1 0 "[ . 1 . 2]" 1
163 1 12 GLU QG 1 14 VAL H 1.800 . 5.300 4.550 1.799 5.346 0.046 5 0 "[ . 1 . 2]" 1
164 1 12 GLU H 1 12 GLU QG 1.800 . 5.220 2.898 1.875 4.321 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLU H 1 13 THR H 1.800 . 5.000 3.791 1.740 4.669 0.060 16 0 "[ . 1 . 2]" 1
166 1 13 THR HA 1 13 THR MG 1.800 . 3.390 2.377 2.206 3.209 . 0 0 "[ . 1 . 2]" 1
167 1 13 THR HB 1 14 VAL H 1.800 . 5.000 3.437 1.835 4.474 . 0 0 "[ . 1 . 2]" 1
168 1 13 THR H 1 13 THR MG 1.800 . 4.200 3.145 1.882 4.064 . 0 0 "[ . 1 . 2]" 1
169 1 13 THR H 1 14 VAL MG2 1.800 . 6.000 4.224 3.109 5.966 . 0 0 "[ . 1 . 2]" 1
170 1 13 THR H 1 14 VAL H 1.800 . 4.590 2.934 1.788 4.606 0.016 18 0 "[ . 1 . 2]" 1
171 1 14 VAL HA 1 14 VAL MG1 1.800 . 3.520 2.460 2.239 3.242 . 0 0 "[ . 1 . 2]" 1
172 1 14 VAL HA 1 14 VAL MG2 1.800 . 3.400 2.362 2.181 2.597 . 0 0 "[ . 1 . 2]" 1
173 1 14 VAL HA 1 15 VAL H 1.800 . 3.500 2.536 2.204 3.552 0.052 13 0 "[ . 1 . 2]" 1
174 1 14 VAL HB 1 15 VAL H 1.800 . 5.000 3.655 2.018 4.064 . 0 0 "[ . 1 . 2]" 1
175 1 14 VAL HB 1 35 PHE QD 1.800 . 5.080 4.202 3.290 5.023 . 0 0 "[ . 1 . 2]" 1
176 1 14 VAL MG1 1 15 VAL HA 1.800 . 4.800 3.848 3.520 4.699 . 0 0 "[ . 1 . 2]" 1
177 1 14 VAL MG1 1 15 VAL H 1.800 . 3.800 2.333 1.731 3.665 0.069 18 0 "[ . 1 . 2]" 1
178 1 14 VAL MG1 1 35 PHE HA 1.800 . 4.430 3.778 3.298 4.293 . 0 0 "[ . 1 . 2]" 1
179 1 14 VAL MG1 1 35 PHE HB3 1.800 . 5.400 3.699 2.700 4.501 . 0 0 "[ . 1 . 2]" 1
180 1 14 VAL MG1 1 35 PHE HB2 1.800 . 5.400 5.097 4.241 5.539 0.139 14 0 "[ . 1 . 2]" 1
181 1 14 VAL MG1 1 35 PHE QD 1.800 . 4.080 2.794 2.198 4.127 0.047 18 0 "[ . 1 . 2]" 1
182 1 14 VAL MG1 1 36 LEU H 1.800 . 4.800 3.655 2.463 4.453 . 0 0 "[ . 1 . 2]" 1
183 1 14 VAL MG1 1 38 PRO HA 1.800 . 4.810 2.862 2.336 3.491 . 0 0 "[ . 1 . 2]" 1
184 1 14 VAL MG1 1 39 THR H 1.800 . 6.000 4.250 3.315 5.563 . 0 0 "[ . 1 . 2]" 1
185 1 14 VAL MG2 1 15 VAL H 1.800 . 4.620 3.687 1.630 4.195 0.170 12 0 "[ . 1 . 2]" 1
186 1 14 VAL MG2 1 35 PHE QB 1.800 . 5.400 4.840 3.967 5.462 0.062 9 0 "[ . 1 . 2]" 1
187 1 14 VAL MG2 1 38 PRO HA 1.800 . 4.800 2.852 2.069 4.784 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL MG2 1 39 THR H 1.800 . 4.450 3.416 2.010 4.405 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL H 1 14 VAL HB 1.800 . 3.510 2.871 2.380 3.746 0.236 9 0 "[ . 1 . 2]" 1
190 1 14 VAL H 1 14 VAL MG1 1.800 . 4.390 3.679 2.270 4.077 . 0 0 "[ . 1 . 2]" 1
191 1 14 VAL H 1 14 VAL MG2 1.800 . 4.000 2.461 1.838 4.107 0.107 11 0 "[ . 1 . 2]" 1
192 1 14 VAL H 1 15 VAL H 1.800 . 4.980 4.245 2.538 4.695 . 0 0 "[ . 1 . 2]" 1
193 1 15 VAL HA 1 15 VAL MG1 1.800 . 3.560 2.360 2.211 3.206 . 0 0 "[ . 1 . 2]" 1
194 1 15 VAL HA 1 15 VAL MG2 1.800 . 3.340 2.575 2.221 3.191 . 0 0 "[ . 1 . 2]" 1
195 1 15 VAL HA 1 16 PRO HD3 1.800 . 3.930 2.699 2.400 3.295 . 0 0 "[ . 1 . 2]" 1
196 1 15 VAL HA 1 16 PRO HD2 1.800 . 3.930 2.256 2.161 2.350 . 0 0 "[ . 1 . 2]" 1
197 1 15 VAL HA 1 16 PRO QG 1.800 . 4.660 4.065 3.950 4.168 . 0 0 "[ . 1 . 2]" 1
198 1 15 VAL HA 1 100 TYR QE 1.800 . 5.600 3.972 2.943 5.038 . 0 0 "[ . 1 . 2]" 1
199 1 15 VAL MG1 1 16 PRO QD 1.800 . 4.000 3.606 3.171 4.201 0.201 6 0 "[ . 1 . 2]" 1
200 1 15 VAL MG1 1 100 TYR QE 1.800 . 4.800 4.031 3.068 4.926 0.126 8 0 "[ . 1 . 2]" 1
201 1 15 VAL MG1 1 104 ASN QB 1.800 . 5.000 3.219 2.109 5.100 0.100 8 0 "[ . 1 . 2]" 1
202 1 15 VAL MG2 1 16 PRO QD 1.800 . 4.830 3.773 2.750 4.096 . 0 0 "[ . 1 . 2]" 1
203 1 15 VAL MG2 1 100 TYR QE 1.800 . 5.700 4.819 2.277 5.739 0.039 20 0 "[ . 1 . 2]" 1
204 1 15 VAL MG2 1 104 ASN QB 1.800 . 4.700 4.065 2.838 4.707 0.007 15 0 "[ . 1 . 2]" 1
205 1 15 VAL H 1 15 VAL HB 1.800 . 3.800 3.082 2.524 3.799 . 0 0 "[ . 1 . 2]" 1
206 1 15 VAL H 1 15 VAL MG1 1.800 . 4.320 3.530 1.780 3.977 0.020 8 0 "[ . 1 . 2]" 1
207 1 15 VAL H 1 15 VAL MG2 1.800 . 4.050 2.620 1.887 4.012 . 0 0 "[ . 1 . 2]" 1
208 1 16 PRO HA 1 17 GLU QB 1.800 . 4.920 4.324 4.111 4.529 . 0 0 "[ . 1 . 2]" 1
209 1 16 PRO HA 1 17 GLU H 1.800 . 3.640 2.286 2.245 2.366 . 0 0 "[ . 1 . 2]" 1
210 1 16 PRO HA 1 35 PHE HA 1.800 . 4.600 3.022 2.523 3.393 . 0 0 "[ . 1 . 2]" 1
211 1 16 PRO HA 1 36 LEU H 1.800 . 5.000 3.425 2.986 4.017 . 0 0 "[ . 1 . 2]" 1
212 1 16 PRO QB 1 18 VAL MG2 1.800 . 4.800 4.310 3.966 4.857 0.057 2 0 "[ . 1 . 2]" 1
213 1 16 PRO QB 1 33 PHE QD 1.800 . 5.490 3.528 2.993 4.609 . 0 0 "[ . 1 . 2]" 1
214 1 16 PRO HB3 1 17 GLU H 1.800 . 5.000 3.769 3.673 3.868 . 0 0 "[ . 1 . 2]" 1
215 1 16 PRO HB2 1 17 GLU H 1.800 . 5.000 3.068 2.871 3.241 . 0 0 "[ . 1 . 2]" 1
216 1 16 PRO QG 1 18 VAL MG2 1.800 . 4.470 3.978 3.576 4.254 . 0 0 "[ . 1 . 2]" 1
217 1 16 PRO QG 1 33 PHE QD 1.800 . 5.140 3.591 2.795 4.562 . 0 0 "[ . 1 . 2]" 1
218 1 17 GLU HA 1 17 GLU QG 1.800 . 3.960 2.463 2.281 2.832 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLU HA 1 18 VAL MG2 1.800 . 4.610 3.497 3.293 3.621 . 0 0 "[ . 1 . 2]" 1
220 1 17 GLU HA 1 18 VAL H 1.800 . 3.420 2.282 2.152 2.372 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLU QB 1 18 VAL H 1.800 . 4.400 3.066 2.486 3.515 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLU QB 1 34 TYR QB 1.800 . 4.600 2.358 2.250 2.632 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLU QB 1 34 TYR QD 1.800 . 4.510 3.345 2.546 3.906 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLU QB 1 34 TYR H 1.800 . 4.550 3.617 3.175 3.945 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLU QG 1 34 TYR QB 1.800 . 4.490 4.008 3.529 4.319 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLU H 1 17 GLU HG3 1.800 . 5.280 3.659 2.358 4.724 . 0 0 "[ . 1 . 2]" 1
227 1 17 GLU H 1 17 GLU HG2 1.800 . 5.280 3.922 2.314 4.725 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLU H 1 34 TYR QB 1.800 . 4.790 2.956 2.319 3.596 . 0 0 "[ . 1 . 2]" 1
229 1 17 GLU H 1 34 TYR H 1.800 . 4.270 3.501 3.061 4.213 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLU H 1 35 PHE HA 1.800 . 4.800 4.062 3.693 4.437 . 0 0 "[ . 1 . 2]" 1
231 1 18 VAL HA 1 18 VAL MG1 1.800 . 3.550 2.340 2.223 2.406 . 0 0 "[ . 1 . 2]" 1
232 1 18 VAL HA 1 18 VAL MG2 1.800 . 3.860 2.305 2.236 2.470 . 0 0 "[ . 1 . 2]" 1
233 1 18 VAL HA 1 19 ARG H 1.800 . 3.800 2.167 2.132 2.192 . 0 0 "[ . 1 . 2]" 1
234 1 18 VAL HA 1 33 PHE HA 1.800 . 3.960 2.968 2.501 3.296 . 0 0 "[ . 1 . 2]" 1
235 1 18 VAL HA 1 34 TYR H 1.800 . 4.000 3.830 3.396 4.083 0.083 12 0 "[ . 1 . 2]" 1
236 1 18 VAL HB 1 19 ARG H 1.800 . 4.550 4.188 4.078 4.277 . 0 0 "[ . 1 . 2]" 1
237 1 18 VAL HB 1 20 LEU MD2 1.800 . 5.400 4.758 3.735 5.484 0.084 12 0 "[ . 1 . 2]" 1
238 1 18 VAL MG1 1 19 ARG H 1.800 . 4.030 2.606 2.502 2.790 . 0 0 "[ . 1 . 2]" 1
239 1 18 VAL MG1 1 20 LEU HA 1.800 . 5.080 4.510 4.345 4.695 . 0 0 "[ . 1 . 2]" 1
240 1 18 VAL MG1 1 20 LEU MD1 1.800 . 4.170 3.739 1.898 4.212 0.042 1 0 "[ . 1 . 2]" 1
241 1 18 VAL MG1 1 20 LEU MD2 1.800 . 3.160 2.708 2.208 3.252 0.092 12 0 "[ . 1 . 2]" 1
242 1 18 VAL MG1 1 33 PHE HA 1.800 . 5.590 4.219 3.459 4.661 . 0 0 "[ . 1 . 2]" 1
243 1 18 VAL MG1 1 33 PHE QD 1.800 . 4.250 3.885 3.316 4.291 0.041 6 0 "[ . 1 . 2]" 1
244 1 18 VAL MG1 1 93 PHE QE 1.800 . 4.880 3.676 2.890 4.925 0.045 7 0 "[ . 1 . 2]" 1
245 1 18 VAL MG1 1 97 MET ME 1.800 . 3.720 3.044 2.112 3.776 0.056 2 0 "[ . 1 . 2]" 1
246 1 18 VAL MG1 1 97 MET QG 1.800 . 5.200 2.991 2.261 4.160 . 0 0 "[ . 1 . 2]" 1
247 1 18 VAL MG2 1 19 ARG H 1.800 . 4.880 3.977 3.869 4.230 . 0 0 "[ . 1 . 2]" 1
248 1 18 VAL MG2 1 20 LEU MD2 1.800 . 5.200 4.837 4.352 5.226 0.026 12 0 "[ . 1 . 2]" 1
249 1 18 VAL MG2 1 33 PHE HA 1.800 . 4.970 4.043 3.400 4.621 . 0 0 "[ . 1 . 2]" 1
250 1 18 VAL MG2 1 33 PHE QD 1.800 . 4.380 2.713 2.296 3.159 . 0 0 "[ . 1 . 2]" 1
251 1 18 VAL MG2 1 34 TYR H 1.800 . 5.790 4.708 4.095 5.066 . 0 0 "[ . 1 . 2]" 1
252 1 18 VAL MG2 1 97 MET ME 1.800 . 4.800 3.786 2.155 4.861 0.061 14 0 "[ . 1 . 2]" 1
253 1 18 VAL H 1 18 VAL HB 1.800 . 3.940 2.530 2.407 2.714 . 0 0 "[ . 1 . 2]" 1
254 1 18 VAL H 1 18 VAL MG1 1.800 . 4.630 3.805 3.762 3.861 . 0 0 "[ . 1 . 2]" 1
255 1 18 VAL H 1 18 VAL MG2 1.800 . 4.150 2.632 2.200 2.872 . 0 0 "[ . 1 . 2]" 1
256 1 19 ARG HA 1 19 ARG QD 1.800 . 4.300 3.636 2.206 4.173 . 0 0 "[ . 1 . 2]" 1
257 1 19 ARG HA 1 20 LEU MD1 1.800 . 5.600 4.827 3.125 5.194 . 0 0 "[ . 1 . 2]" 1
258 1 19 ARG HA 1 20 LEU MD2 1.800 . 5.160 3.757 2.432 5.124 . 0 0 "[ . 1 . 2]" 1
259 1 19 ARG HA 1 20 LEU H 1.800 . 3.300 2.215 2.152 2.269 . 0 0 "[ . 1 . 2]" 1
260 1 19 ARG QB 1 19 ARG QD 1.800 . 3.280 2.307 2.129 2.692 . 0 0 "[ . 1 . 2]" 1
261 1 19 ARG QB 1 20 LEU MD2 1.800 . 6.000 4.593 3.948 6.189 0.189 12 0 "[ . 1 . 2]" 1
262 1 19 ARG QB 1 20 LEU H 1.800 . 4.570 3.186 2.868 3.844 . 0 0 "[ . 1 . 2]" 1
263 1 19 ARG QG 1 20 LEU H 1.800 . 4.800 3.546 2.364 4.535 . 0 0 "[ . 1 . 2]" 1
264 1 19 ARG H 1 19 ARG QD 1.800 . 5.700 4.508 2.424 5.150 . 0 0 "[ . 1 . 2]" 1
265 1 19 ARG H 1 33 PHE HA 1.800 . 4.300 3.367 2.957 3.782 . 0 0 "[ . 1 . 2]" 1
266 1 20 LEU HA 1 20 LEU MD1 1.800 . 4.100 3.149 2.057 3.823 . 0 0 "[ . 1 . 2]" 1
267 1 20 LEU HA 1 21 SER H 1.800 . 3.390 2.179 2.109 2.227 . 0 0 "[ . 1 . 2]" 1
268 1 20 LEU HA 1 31 ALA HA 1.800 . 4.000 2.513 2.287 2.992 . 0 0 "[ . 1 . 2]" 1
269 1 20 LEU HA 1 32 LYS H 1.800 . 3.800 3.273 2.810 3.848 0.048 8 0 "[ . 1 . 2]" 1
270 1 20 LEU QB 1 20 LEU MD2 1.800 . 4.060 2.260 2.098 2.342 . 0 0 "[ . 1 . 2]" 1
271 1 20 LEU QB 1 90 TRP HH2 1.800 . 5.800 3.963 3.070 5.399 . 0 0 "[ . 1 . 2]" 1
272 1 20 LEU HB3 1 20 LEU MD1 1.800 . 3.810 2.374 2.217 3.202 . 0 0 "[ . 1 . 2]" 1
273 1 20 LEU HB3 1 21 SER H 1.800 . 5.000 3.243 2.986 3.726 . 0 0 "[ . 1 . 2]" 1
274 1 20 LEU HB2 1 20 LEU MD1 1.800 . 3.810 2.664 2.307 3.222 . 0 0 "[ . 1 . 2]" 1
275 1 20 LEU HB2 1 21 SER H 1.800 . 5.000 4.168 3.957 4.394 . 0 0 "[ . 1 . 2]" 1
276 1 20 LEU MD1 1 90 TRP HH2 1.800 . 4.800 3.524 2.375 4.467 . 0 0 "[ . 1 . 2]" 1
277 1 20 LEU MD1 1 90 TRP HZ2 1.800 . 6.000 5.489 3.981 6.084 0.084 12 0 "[ . 1 . 2]" 1
278 1 20 LEU MD1 1 90 TRP HZ3 1.800 . 5.210 3.513 2.138 5.029 . 0 0 "[ . 1 . 2]" 1
279 1 20 LEU HG 1 90 TRP HH2 1.800 . 6.000 5.476 2.982 6.046 0.046 18 0 "[ . 1 . 2]" 1
280 1 20 LEU H 1 20 LEU MD1 1.800 . 4.850 3.767 2.337 4.058 . 0 0 "[ . 1 . 2]" 1
281 1 20 LEU H 1 20 LEU HG 1.800 . 4.870 3.131 2.405 4.290 . 0 0 "[ . 1 . 2]" 1
282 1 21 SER HA 1 22 LYS H 1.800 . 3.370 2.341 2.192 2.459 . 0 0 "[ . 1 . 2]" 1
283 1 21 SER HA 1 30 MET QG 1.800 . 5.600 5.062 4.289 5.678 0.078 12 0 "[ . 1 . 2]" 1
284 1 21 SER QB 1 22 LYS H 1.800 . 3.940 2.879 2.362 3.728 . 0 0 "[ . 1 . 2]" 1
285 1 21 SER QB 1 30 MET QB 1.800 . 5.000 3.789 2.842 5.111 0.111 9 0 "[ . 1 . 2]" 1
286 1 21 SER QB 1 30 MET H 1.800 . 5.000 4.736 3.703 5.066 0.066 13 0 "[ . 1 . 2]" 1
287 1 21 SER HB3 1 30 MET QG 1.800 . 4.510 3.494 2.330 4.479 . 0 0 "[ . 1 . 2]" 1
288 1 21 SER HB2 1 30 MET QG 1.800 . 4.510 3.468 2.327 4.604 0.094 5 0 "[ . 1 . 2]" 1
289 1 21 SER H 1 22 LYS H 1.800 . 5.000 4.450 4.371 4.609 . 0 0 "[ . 1 . 2]" 1
290 1 21 SER H 1 30 MET QG 1.800 . 5.220 3.920 3.296 4.303 . 0 0 "[ . 1 . 2]" 1
291 1 21 SER H 1 31 ALA MB 1.800 . 4.730 3.783 3.259 4.310 . 0 0 "[ . 1 . 2]" 1
292 1 21 SER H 1 90 TRP HH2 1.800 . 6.000 5.159 4.610 5.850 . 0 0 "[ . 1 . 2]" 1
293 1 22 LYS HA 1 22 LYS QD 1.800 . 4.400 3.608 2.108 4.267 . 0 0 "[ . 1 . 2]" 1
294 1 22 LYS HA 1 23 SER H 1.800 . 3.800 2.217 2.112 2.430 . 0 0 "[ . 1 . 2]" 1
295 1 22 LYS HA 1 29 GLY QA 1.800 . 4.420 3.406 2.293 4.424 0.004 7 0 "[ . 1 . 2]" 1
296 1 22 LYS HA 1 30 MET H 1.800 . 4.800 3.383 2.678 4.726 . 0 0 "[ . 1 . 2]" 1
297 1 22 LYS QB 1 22 LYS QD 1.800 . 3.920 2.177 2.127 2.273 . 0 0 "[ . 1 . 2]" 1
298 1 22 LYS QB 1 22 LYS QE 1.800 . 3.870 3.397 2.155 3.764 . 0 0 "[ . 1 . 2]" 1
299 1 22 LYS QB 1 23 SER H 1.800 . 3.900 3.273 2.406 3.815 . 0 0 "[ . 1 . 2]" 1
300 1 22 LYS QD 1 23 SER H 1.800 . 5.000 4.369 3.391 5.119 0.119 20 0 "[ . 1 . 2]" 1
301 1 22 LYS QD 1 26 GLY QA 1.800 . 5.930 4.391 2.387 6.006 0.076 16 0 "[ . 1 . 2]" 1
302 1 22 LYS QE 1 26 GLY HA3 1.800 . 6.000 5.253 3.763 6.087 0.087 10 0 "[ . 1 . 2]" 1
303 1 22 LYS QE 1 26 GLY HA2 1.800 . 6.000 4.704 2.956 6.052 0.052 18 0 "[ . 1 . 2]" 1
304 1 22 LYS QE 1 22 LYS QG 1.800 . 3.550 2.251 2.129 2.598 . 0 0 "[ . 1 . 2]" 1
305 1 22 LYS H 1 22 LYS QB 1.800 . 3.820 2.575 2.317 2.853 . 0 0 "[ . 1 . 2]" 1
306 1 22 LYS H 1 22 LYS QG 1.800 . 4.510 3.354 1.834 4.151 . 0 0 "[ . 1 . 2]" 1
307 1 23 SER HA 1 24 LYS H 1.800 . 3.600 2.650 2.156 3.520 . 0 0 "[ . 1 . 2]" 1
308 1 23 SER HB3 1 24 LYS H 1.800 . 4.580 3.495 1.802 4.515 . 0 0 "[ . 1 . 2]" 1
309 1 23 SER HB3 1 28 SER H 1.800 . 4.500 3.568 2.162 4.465 . 0 0 "[ . 1 . 2]" 1
310 1 23 SER HB2 1 24 LYS H 1.800 . 4.580 3.570 1.883 4.580 0.000 20 0 "[ . 1 . 2]" 1
311 1 23 SER HB2 1 28 SER H 1.800 . 5.000 3.500 1.811 5.032 0.032 14 0 "[ . 1 . 2]" 1
312 1 23 SER H 1 23 SER QB 1.800 . 3.470 2.493 2.244 3.446 . 0 0 "[ . 1 . 2]" 1
313 1 23 SER H 1 28 SER H 1.800 . 5.000 4.442 3.263 5.116 0.116 4 0 "[ . 1 . 2]" 1
314 1 23 SER H 1 29 GLY QA 1.800 . 4.800 3.631 2.102 4.836 0.036 16 0 "[ . 1 . 2]" 1
315 1 24 LYS HA 1 24 LYS QG 1.800 . 3.970 2.545 2.288 3.320 . 0 0 "[ . 1 . 2]" 1
316 1 24 LYS HA 1 25 ASN H 1.800 . 3.700 3.240 2.167 3.579 . 0 0 "[ . 1 . 2]" 1
317 1 24 LYS QB 1 24 LYS QD 1.800 . 2.640 2.182 2.127 2.268 . 0 0 "[ . 1 . 2]" 1
318 1 24 LYS QB 1 24 LYS QE 1.800 . 5.020 3.453 2.138 3.652 . 0 0 "[ . 1 . 2]" 1
319 1 24 LYS QE 1 24 LYS QG 1.800 . 3.180 2.229 2.130 2.322 . 0 0 "[ . 1 . 2]" 1
320 1 24 LYS H 1 24 LYS QG 1.800 . 5.120 2.657 1.892 4.259 . 0 0 "[ . 1 . 2]" 1
321 1 25 ASN HA 1 26 GLY H 1.800 . 3.840 3.226 2.882 3.581 . 0 0 "[ . 1 . 2]" 1
322 1 25 ASN HB3 1 26 GLY H 1.800 . 5.000 4.157 3.570 4.505 . 0 0 "[ . 1 . 2]" 1
323 1 25 ASN HB2 1 26 GLY H 1.800 . 5.000 3.845 2.628 4.527 . 0 0 "[ . 1 . 2]" 1
324 1 25 ASN H 1 26 GLY H 1.800 . 4.660 2.435 1.763 2.796 0.037 16 0 "[ . 1 . 2]" 1
325 1 27 GLN HA 1 27 GLN QG 1.800 . 3.780 2.603 2.252 3.433 . 0 0 "[ . 1 . 2]" 1
326 1 27 GLN QB 1 28 SER H 1.800 . 4.220 3.072 1.747 4.055 0.053 17 0 "[ . 1 . 2]" 1
327 1 27 GLN H 1 27 GLN QB 1.800 . 3.590 2.585 2.264 3.249 . 0 0 "[ . 1 . 2]" 1
328 1 27 GLN H 1 27 GLN QG 1.800 . 4.230 3.306 1.853 4.411 0.181 20 0 "[ . 1 . 2]" 1
329 1 27 GLN H 1 28 SER H 1.800 . 3.830 2.654 1.701 3.735 0.099 20 0 "[ . 1 . 2]" 1
330 1 28 SER HA 1 29 GLY QA 1.800 . 4.720 3.995 3.927 4.260 . 0 0 "[ . 1 . 2]" 1
331 1 28 SER HA 1 29 GLY H 1.800 . 3.800 2.427 2.126 3.527 . 0 0 "[ . 1 . 2]" 1
332 1 28 SER HA 1 85 ASN HA 1.800 . 5.000 4.080 2.482 4.987 . 0 0 "[ . 1 . 2]" 1
333 1 28 SER QB 1 29 GLY H 1.800 . 3.790 3.008 1.916 3.950 0.160 12 0 "[ . 1 . 2]" 1
334 1 28 SER QB 1 83 ILE MG 1.800 . 4.400 3.568 2.603 4.420 0.020 12 0 "[ . 1 . 2]" 1
335 1 28 SER H 1 29 GLY H 1.800 . 5.000 4.217 3.130 4.653 . 0 0 "[ . 1 . 2]" 1
336 1 29 GLY QA 1 30 MET QG 1.800 . 5.800 4.160 2.934 5.288 . 0 0 "[ . 1 . 2]" 1
337 1 29 GLY HA3 1 30 MET H 1.800 . 3.700 2.967 2.676 3.079 . 0 0 "[ . 1 . 2]" 1
338 1 29 GLY HA2 1 30 MET H 1.800 . 3.700 2.294 2.200 2.514 . 0 0 "[ . 1 . 2]" 1
339 1 29 GLY H 1 83 ILE MG 1.800 . 4.950 4.652 4.149 4.988 0.038 19 0 "[ . 1 . 2]" 1
340 1 29 GLY H 1 84 LEU QB 1.800 . 5.000 4.145 2.796 4.918 . 0 0 "[ . 1 . 2]" 1
341 1 29 GLY H 1 84 LEU H 1.800 . 4.690 4.452 3.956 4.718 0.028 3 0 "[ . 1 . 2]" 1
342 1 29 GLY H 1 85 ASN HA 1.800 . 4.570 3.428 1.866 4.459 . 0 0 "[ . 1 . 2]" 1
343 1 29 GLY H 1 85 ASN HD22 1.800 . 5.400 4.538 2.378 5.449 0.049 6 0 "[ . 1 . 2]" 1
344 1 29 GLY H 1 90 TRP HE1 1.800 . 5.200 3.827 2.561 5.058 . 0 0 "[ . 1 . 2]" 1
345 1 29 GLY H 1 90 TRP HZ2 1.800 . 5.400 4.589 3.726 5.449 0.049 12 0 "[ . 1 . 2]" 1
346 1 30 MET HA 1 31 ALA MB 1.800 . 4.790 3.900 3.866 3.981 . 0 0 "[ . 1 . 2]" 1
347 1 30 MET HA 1 31 ALA H 1.800 . 3.490 2.381 2.182 2.539 . 0 0 "[ . 1 . 2]" 1
348 1 30 MET HA 1 81 THR MG 1.800 . 5.470 4.215 3.788 4.528 . 0 0 "[ . 1 . 2]" 1
349 1 30 MET HA 1 82 VAL MG1 1.800 . 5.850 4.527 3.996 5.032 . 0 0 "[ . 1 . 2]" 1
350 1 30 MET HA 1 83 ILE HA 1.800 . 4.140 2.847 2.334 3.321 . 0 0 "[ . 1 . 2]" 1
351 1 30 MET HA 1 83 ILE MD 1.800 . 4.250 3.779 3.111 4.253 0.003 15 0 "[ . 1 . 2]" 1
352 1 30 MET HA 1 83 ILE MG 1.800 . 5.100 4.258 3.823 4.562 . 0 0 "[ . 1 . 2]" 1
353 1 30 MET HA 1 84 LEU MD2 1.800 . 5.700 4.544 3.982 5.358 . 0 0 "[ . 1 . 2]" 1
354 1 30 MET HA 1 84 LEU H 1.800 . 4.150 2.740 2.265 3.554 . 0 0 "[ . 1 . 2]" 1
355 1 30 MET QB 1 83 ILE HA 1.800 . 5.000 3.100 2.245 4.512 . 0 0 "[ . 1 . 2]" 1
356 1 30 MET HB3 1 31 ALA H 1.800 . 4.480 3.722 3.370 4.163 . 0 0 "[ . 1 . 2]" 1
357 1 30 MET HB3 1 81 THR MG 1.800 . 4.800 3.869 3.263 4.807 0.007 8 0 "[ . 1 . 2]" 1
358 1 30 MET HB3 1 83 ILE MD 1.800 . 5.200 3.650 2.105 5.254 0.054 14 0 "[ . 1 . 2]" 1
359 1 30 MET HB2 1 31 ALA H 1.800 . 4.480 3.119 2.154 4.264 . 0 0 "[ . 1 . 2]" 1
360 1 30 MET HB2 1 81 THR MG 1.800 . 4.610 3.244 2.208 4.547 . 0 0 "[ . 1 . 2]" 1
361 1 30 MET HB2 1 83 ILE MD 1.800 . 4.440 3.335 2.217 4.276 . 0 0 "[ . 1 . 2]" 1
362 1 30 MET QG 1 31 ALA HA 1.800 . 4.690 3.850 3.509 4.372 . 0 0 "[ . 1 . 2]" 1
363 1 30 MET QG 1 31 ALA H 1.800 . 4.250 3.021 1.988 3.954 . 0 0 "[ . 1 . 2]" 1
364 1 30 MET QG 1 32 LYS QG 1.800 . 4.750 3.799 2.831 4.910 0.160 9 0 "[ . 1 . 2]" 1
365 1 30 MET QG 1 81 THR MG 1.800 . 3.900 2.844 1.932 3.894 . 0 0 "[ . 1 . 2]" 1
366 1 30 MET QG 1 82 VAL H 1.800 . 5.940 4.576 3.287 5.840 . 0 0 "[ . 1 . 2]" 1
367 1 30 MET QG 1 83 ILE HA 1.800 . 5.560 3.981 2.690 4.971 . 0 0 "[ . 1 . 2]" 1
368 1 30 MET QG 1 83 ILE MD 1.800 . 4.190 3.374 2.430 4.381 0.191 2 0 "[ . 1 . 2]" 1
369 1 30 MET H 1 30 MET QG 1.800 . 4.800 3.188 2.315 4.177 . 0 0 "[ . 1 . 2]" 1
370 1 30 MET H 1 83 ILE MG 1.800 . 6.000 5.773 5.389 6.079 0.079 15 0 "[ . 1 . 2]" 1
371 1 30 MET H 1 84 LEU QB 1.800 . 6.000 4.264 3.073 5.130 . 0 0 "[ . 1 . 2]" 1
372 1 30 MET H 1 84 LEU MD1 1.800 . 6.000 3.961 3.028 4.892 . 0 0 "[ . 1 . 2]" 1
373 1 30 MET H 1 90 TRP HZ2 1.800 . 5.260 3.365 2.385 4.189 . 0 0 "[ . 1 . 2]" 1
374 1 31 ALA HA 1 32 LYS QB 1.800 . 4.860 4.296 3.976 4.427 . 0 0 "[ . 1 . 2]" 1
375 1 31 ALA HA 1 32 LYS H 1.800 . 3.250 2.249 2.148 2.316 . 0 0 "[ . 1 . 2]" 1
376 1 31 ALA MB 1 32 LYS H 1.800 . 3.970 2.824 2.645 3.055 . 0 0 "[ . 1 . 2]" 1
377 1 31 ALA MB 1 33 PHE QD 1.800 . 4.200 3.949 3.484 4.297 0.097 16 0 "[ . 1 . 2]" 1
378 1 31 ALA MB 1 81 THR HA 1.800 . 5.530 4.692 4.423 4.939 . 0 0 "[ . 1 . 2]" 1
379 1 31 ALA MB 1 82 VAL HB 1.800 . 3.900 2.721 2.307 3.491 . 0 0 "[ . 1 . 2]" 1
380 1 31 ALA MB 1 82 VAL H 1.800 . 4.430 3.451 3.029 3.753 . 0 0 "[ . 1 . 2]" 1
381 1 31 ALA MB 1 84 LEU MD1 1.800 . 4.410 2.658 2.119 3.365 . 0 0 "[ . 1 . 2]" 1
382 1 31 ALA MB 1 90 TRP HZ3 1.800 . 5.510 4.850 4.281 5.517 0.007 5 0 "[ . 1 . 2]" 1
383 1 31 ALA H 1 81 THR MG 1.800 . 4.400 3.194 2.897 3.580 . 0 0 "[ . 1 . 2]" 1
384 1 31 ALA H 1 82 VAL HB 1.800 . 5.040 3.447 2.994 3.893 . 0 0 "[ . 1 . 2]" 1
385 1 31 ALA H 1 82 VAL MG1 1.800 . 5.500 4.176 3.733 4.464 . 0 0 "[ . 1 . 2]" 1
386 1 31 ALA H 1 82 VAL H 1.800 . 4.230 2.810 2.590 3.034 . 0 0 "[ . 1 . 2]" 1
387 1 31 ALA H 1 83 ILE HA 1.800 . 4.800 4.090 3.659 4.387 . 0 0 "[ . 1 . 2]" 1
388 1 31 ALA H 1 84 LEU MD1 1.800 . 5.360 3.945 2.907 4.712 . 0 0 "[ . 1 . 2]" 1
389 1 32 LYS HA 1 32 LYS QD 1.800 . 4.350 3.878 2.191 4.168 . 0 0 "[ . 1 . 2]" 1
390 1 32 LYS HA 1 32 LYS QE 1.800 . 4.800 4.433 3.855 4.848 0.048 5 0 "[ . 1 . 2]" 1
391 1 32 LYS HA 1 32 LYS QG 1.800 . 3.940 2.327 2.199 2.845 . 0 0 "[ . 1 . 2]" 1
392 1 32 LYS HA 1 33 PHE QD 1.800 . 5.050 3.317 2.970 3.607 . 0 0 "[ . 1 . 2]" 1
393 1 32 LYS HA 1 33 PHE H 1.800 . 3.480 2.224 2.125 2.278 . 0 0 "[ . 1 . 2]" 1
394 1 32 LYS HA 1 81 THR HA 1.800 . 4.600 2.443 2.284 2.705 . 0 0 "[ . 1 . 2]" 1
395 1 32 LYS HA 1 82 VAL H 1.800 . 5.000 3.642 3.351 3.968 . 0 0 "[ . 1 . 2]" 1
396 1 32 LYS QB 1 32 LYS QD 1.800 . 2.970 2.160 2.130 2.321 . 0 0 "[ . 1 . 2]" 1
397 1 32 LYS QB 1 32 LYS QE 1.800 . 3.800 3.374 2.133 3.652 . 0 0 "[ . 1 . 2]" 1
398 1 32 LYS QE 1 79 GLU QG 1.800 . 5.400 4.570 2.432 5.463 0.063 5 0 "[ . 1 . 2]" 1
399 1 32 LYS QE 1 81 THR MG 1.800 . 4.470 3.429 2.664 4.553 0.083 17 0 "[ . 1 . 2]" 1
400 1 32 LYS QE 1 32 LYS QG 1.800 . 3.250 2.187 2.125 2.323 . 0 0 "[ . 1 . 2]" 1
401 1 32 LYS QG 1 33 PHE H 1.800 . 4.980 3.793 2.650 4.466 . 0 0 "[ . 1 . 2]" 1
402 1 32 LYS QG 1 81 THR MG 1.800 . 3.670 2.867 2.225 3.647 . 0 0 "[ . 1 . 2]" 1
403 1 32 LYS H 1 32 LYS QB 1.800 . 3.660 2.476 2.395 2.558 . 0 0 "[ . 1 . 2]" 1
404 1 32 LYS H 1 32 LYS QG 1.800 . 4.330 2.946 2.530 4.077 . 0 0 "[ . 1 . 2]" 1
405 1 33 PHE HA 1 33 PHE QD 1.800 . 4.760 2.910 2.693 3.052 . 0 0 "[ . 1 . 2]" 1
406 1 33 PHE HA 1 34 TYR H 1.800 . 3.320 2.187 2.144 2.231 . 0 0 "[ . 1 . 2]" 1
407 1 33 PHE HA 1 80 ALA MB 1.800 . 5.200 5.077 4.849 5.265 0.065 15 0 "[ . 1 . 2]" 1
408 1 33 PHE QB 1 34 TYR H 1.800 . 4.330 3.136 2.903 3.427 . 0 0 "[ . 1 . 2]" 1
409 1 33 PHE QB 1 66 VAL MG1 1.800 . 5.870 5.787 5.418 5.942 0.072 13 0 "[ . 1 . 2]" 1
410 1 33 PHE QB 1 80 ALA MB 1.800 . 4.800 2.411 2.251 2.722 . 0 0 "[ . 1 . 2]" 1
411 1 33 PHE QB 1 80 ALA H 1.800 . 4.660 3.058 2.746 3.367 . 0 0 "[ . 1 . 2]" 1
412 1 33 PHE QD 1 34 TYR H 1.800 . 5.030 3.983 3.691 4.490 . 0 0 "[ . 1 . 2]" 1
413 1 33 PHE QD 1 54 LEU MD1 1.800 . 5.000 4.721 4.229 5.029 0.029 20 0 "[ . 1 . 2]" 1
414 1 33 PHE QD 1 54 LEU MD2 1.800 . 4.800 4.456 3.805 4.869 0.069 1 0 "[ . 1 . 2]" 1
415 1 33 PHE QD 1 63 THR MG 1.800 . 6.000 5.389 4.904 6.017 0.017 9 0 "[ . 1 . 2]" 1
416 1 33 PHE QD 1 80 ALA MB 1.800 . 4.890 3.298 2.636 3.837 . 0 0 "[ . 1 . 2]" 1
417 1 33 PHE QD 1 82 VAL HB 1.800 . 5.500 4.231 3.644 4.644 . 0 0 "[ . 1 . 2]" 1
418 1 33 PHE QD 1 82 VAL MG2 1.800 . 4.680 3.035 2.280 3.459 . 0 0 "[ . 1 . 2]" 1
419 1 33 PHE QD 1 82 VAL H 1.800 . 5.750 3.940 3.740 4.478 . 0 0 "[ . 1 . 2]" 1
420 1 33 PHE H 1 33 PHE QD 1.800 . 4.410 2.796 2.405 3.040 . 0 0 "[ . 1 . 2]" 1
421 1 33 PHE H 1 34 TYR H 1.800 . 5.000 4.403 4.321 4.502 . 0 0 "[ . 1 . 2]" 1
422 1 33 PHE H 1 80 ALA MB 1.800 . 4.590 3.521 3.123 3.669 . 0 0 "[ . 1 . 2]" 1
423 1 33 PHE H 1 80 ALA H 1.800 . 4.600 2.646 2.512 2.803 . 0 0 "[ . 1 . 2]" 1
424 1 33 PHE H 1 81 THR HA 1.800 . 4.800 3.722 3.441 3.994 . 0 0 "[ . 1 . 2]" 1
425 1 34 TYR HA 1 34 TYR QD 1.800 . 4.520 2.604 2.426 2.865 . 0 0 "[ . 1 . 2]" 1
426 1 34 TYR HA 1 35 PHE H 1.800 . 3.470 2.161 2.114 2.205 . 0 0 "[ . 1 . 2]" 1
427 1 34 TYR HA 1 79 GLU HA 1.800 . 4.070 2.990 2.653 3.279 . 0 0 "[ . 1 . 2]" 1
428 1 34 TYR HA 1 79 GLU QG 1.800 . 4.940 3.691 2.922 4.634 . 0 0 "[ . 1 . 2]" 1
429 1 34 TYR HA 1 80 ALA H 1.800 . 4.910 4.307 3.958 4.498 . 0 0 "[ . 1 . 2]" 1
430 1 34 TYR QB 1 35 PHE H 1.800 . 4.540 3.789 3.693 3.870 . 0 0 "[ . 1 . 2]" 1
431 1 34 TYR QD 1 35 PHE H 1.800 . 5.090 3.569 3.396 3.748 . 0 0 "[ . 1 . 2]" 1
432 1 34 TYR QD 1 69 LYS QE 1.800 . 4.950 4.099 2.671 4.991 0.041 20 0 "[ . 1 . 2]" 1
433 1 34 TYR QD 1 77 ALA MB 1.800 . 5.160 4.012 3.501 4.418 . 0 0 "[ . 1 . 2]" 1
434 1 34 TYR QD 1 79 GLU HA 1.800 . 5.310 4.314 3.588 4.808 . 0 0 "[ . 1 . 2]" 1
435 1 34 TYR QD 1 79 GLU HB3 1.800 . 6.000 5.183 2.584 5.998 . 0 0 "[ . 1 . 2]" 1
436 1 34 TYR QD 1 79 GLU HB2 1.800 . 6.000 3.644 2.912 4.326 . 0 0 "[ . 1 . 2]" 1
437 1 34 TYR QD 1 79 GLU QG 1.800 . 4.330 3.909 3.239 4.395 0.065 18 0 "[ . 1 . 2]" 1
438 1 34 TYR QE 1 36 LEU MD1 1.800 . 4.470 2.499 2.305 2.930 . 0 0 "[ . 1 . 2]" 1
439 1 34 TYR QE 1 36 LEU MD2 1.800 . 5.330 3.471 3.010 4.255 . 0 0 "[ . 1 . 2]" 1
440 1 34 TYR QE 1 69 LYS QB 1.800 . 5.570 3.958 3.363 5.015 . 0 0 "[ . 1 . 2]" 1
441 1 34 TYR QE 1 69 LYS QD 1.800 . 4.850 3.511 2.155 4.881 0.031 11 0 "[ . 1 . 2]" 1
442 1 34 TYR QE 1 69 LYS QE 1.800 . 4.890 3.915 2.471 4.857 . 0 0 "[ . 1 . 2]" 1
443 1 34 TYR QE 1 69 LYS QG 1.800 . 5.240 3.971 2.528 5.228 . 0 0 "[ . 1 . 2]" 1
444 1 34 TYR QE 1 77 ALA MB 1.800 . 4.220 2.905 2.393 3.577 . 0 0 "[ . 1 . 2]" 1
445 1 34 TYR QE 1 79 GLU QG 1.800 . 6.000 5.422 4.640 5.959 . 0 0 "[ . 1 . 2]" 1
446 1 34 TYR H 1 34 TYR QB 1.800 . 3.610 2.435 2.297 2.566 . 0 0 "[ . 1 . 2]" 1
447 1 34 TYR H 1 34 TYR QD 1.800 . 5.430 4.282 4.215 4.322 . 0 0 "[ . 1 . 2]" 1
448 1 35 PHE HA 1 35 PHE QD 1.800 . 5.200 2.941 2.351 3.136 . 0 0 "[ . 1 . 2]" 1
449 1 35 PHE HA 1 36 LEU H 1.800 . 3.310 2.160 2.075 2.193 . 0 0 "[ . 1 . 2]" 1
450 1 35 PHE QB 1 78 ILE MG 1.800 . 5.200 3.535 3.192 3.737 . 0 0 "[ . 1 . 2]" 1
451 1 35 PHE HB3 1 36 LEU H 1.800 . 5.000 3.534 3.385 3.651 . 0 0 "[ . 1 . 2]" 1
452 1 35 PHE HB3 1 38 PRO QD 1.800 . 5.210 3.281 2.691 4.033 . 0 0 "[ . 1 . 2]" 1
453 1 35 PHE HB3 1 38 PRO QG 1.800 . 5.960 2.381 2.105 2.966 . 0 0 "[ . 1 . 2]" 1
454 1 35 PHE HB3 1 78 ILE HB 1.800 . 5.000 3.509 2.747 4.170 . 0 0 "[ . 1 . 2]" 1
455 1 35 PHE HB3 1 78 ILE H 1.800 . 4.920 3.654 2.874 4.290 . 0 0 "[ . 1 . 2]" 1
456 1 35 PHE HB2 1 36 LEU H 1.800 . 5.000 4.347 4.253 4.452 . 0 0 "[ . 1 . 2]" 1
457 1 35 PHE HB2 1 38 PRO QD 1.800 . 5.210 3.885 3.345 4.559 . 0 0 "[ . 1 . 2]" 1
458 1 35 PHE HB2 1 38 PRO QG 1.800 . 5.960 2.934 2.409 3.600 . 0 0 "[ . 1 . 2]" 1
459 1 35 PHE HB2 1 78 ILE HB 1.800 . 5.000 2.400 2.323 2.822 . 0 0 "[ . 1 . 2]" 1
460 1 35 PHE HB2 1 78 ILE H 1.800 . 4.920 2.452 2.157 3.053 . 0 0 "[ . 1 . 2]" 1
461 1 35 PHE QD 1 78 ILE HB 1.800 . 6.000 3.485 2.972 4.131 . 0 0 "[ . 1 . 2]" 1
462 1 35 PHE QD 1 78 ILE MG 1.800 . 4.390 3.293 2.970 3.781 . 0 0 "[ . 1 . 2]" 1
463 1 35 PHE QD 1 78 ILE H 1.800 . 6.000 4.110 3.787 4.625 . 0 0 "[ . 1 . 2]" 1
464 1 35 PHE H 1 35 PHE QD 1.800 . 4.160 2.542 2.085 3.841 . 0 0 "[ . 1 . 2]" 1
465 1 35 PHE H 1 36 LEU H 1.800 . 5.000 4.337 4.270 4.411 . 0 0 "[ . 1 . 2]" 1
466 1 35 PHE H 1 77 ALA MB 1.800 . 4.980 3.731 3.190 4.214 . 0 0 "[ . 1 . 2]" 1
467 1 35 PHE H 1 78 ILE HB 1.800 . 4.810 4.260 3.887 4.528 . 0 0 "[ . 1 . 2]" 1
468 1 35 PHE H 1 78 ILE MG 1.800 . 5.520 4.618 4.401 4.772 . 0 0 "[ . 1 . 2]" 1
469 1 35 PHE H 1 78 ILE H 1.800 . 4.350 3.152 2.698 3.517 . 0 0 "[ . 1 . 2]" 1
470 1 35 PHE H 1 79 GLU HA 1.800 . 4.600 3.442 2.754 3.713 . 0 0 "[ . 1 . 2]" 1
471 1 35 PHE H 1 79 GLU QG 1.800 . 6.000 5.012 4.277 5.860 . 0 0 "[ . 1 . 2]" 1
472 1 36 LEU HA 1 36 LEU MD1 1.800 . 3.400 2.091 2.067 2.116 . 0 0 "[ . 1 . 2]" 1
473 1 36 LEU HA 1 36 LEU MD2 1.800 . 4.110 3.800 3.783 3.817 . 0 0 "[ . 1 . 2]" 1
474 1 36 LEU HA 1 37 GLU HA 1.800 . 4.880 4.419 4.376 4.460 . 0 0 "[ . 1 . 2]" 1
475 1 36 LEU HA 1 37 GLU QG 1.800 . 4.710 3.942 3.779 4.091 . 0 0 "[ . 1 . 2]" 1
476 1 36 LEU HA 1 37 GLU H 1.800 . 3.420 2.144 2.093 2.178 . 0 0 "[ . 1 . 2]" 1
477 1 36 LEU HA 1 38 PRO QD 1.800 . 4.890 3.373 3.053 3.855 . 0 0 "[ . 1 . 2]" 1
478 1 36 LEU HA 1 77 ALA HA 1.800 . 4.320 3.429 2.754 3.749 . 0 0 "[ . 1 . 2]" 1
479 1 36 LEU HA 1 77 ALA MB 1.800 . 3.810 2.825 2.429 3.213 . 0 0 "[ . 1 . 2]" 1
480 1 36 LEU QB 1 36 LEU MD2 1.800 . 3.340 2.099 2.082 2.112 . 0 0 "[ . 1 . 2]" 1
481 1 36 LEU HB3 1 36 LEU MD1 1.800 . 3.750 3.213 3.207 3.219 . 0 0 "[ . 1 . 2]" 1
482 1 36 LEU HB3 1 37 GLU H 1.800 . 5.000 4.268 4.161 4.358 . 0 0 "[ . 1 . 2]" 1
483 1 36 LEU HB2 1 36 LEU MD1 1.800 . 3.750 2.325 2.270 2.360 . 0 0 "[ . 1 . 2]" 1
484 1 36 LEU HB2 1 37 GLU H 1.800 . 5.000 4.300 4.158 4.479 . 0 0 "[ . 1 . 2]" 1
485 1 36 LEU MD1 1 37 GLU HA 1.800 . 4.790 4.064 3.722 4.599 . 0 0 "[ . 1 . 2]" 1
486 1 36 LEU MD1 1 37 GLU HB3 1.800 . 5.750 4.723 4.414 5.152 . 0 0 "[ . 1 . 2]" 1
487 1 36 LEU MD1 1 37 GLU HB2 1.800 . 5.750 3.655 3.299 4.144 . 0 0 "[ . 1 . 2]" 1
488 1 36 LEU MD1 1 37 GLU QG 1.800 . 3.450 2.398 2.245 2.780 . 0 0 "[ . 1 . 2]" 1
489 1 36 LEU MD1 1 37 GLU H 1.800 . 3.860 2.272 1.864 2.896 . 0 0 "[ . 1 . 2]" 1
490 1 36 LEU MD1 1 38 PRO QD 1.800 . 5.750 4.212 4.025 4.643 . 0 0 "[ . 1 . 2]" 1
491 1 36 LEU MD1 1 76 THR HB 1.800 . 5.200 4.763 3.749 5.226 0.026 6 0 "[ . 1 . 2]" 1
492 1 36 LEU MD1 1 77 ALA HA 1.800 . 4.970 4.111 3.303 4.419 . 0 0 "[ . 1 . 2]" 1
493 1 36 LEU MD2 1 37 GLU QG 1.800 . 4.650 4.007 3.817 4.287 . 0 0 "[ . 1 . 2]" 1
494 1 36 LEU MD2 1 37 GLU H 1.800 . 5.270 4.563 4.317 4.857 . 0 0 "[ . 1 . 2]" 1
495 1 36 LEU HG 1 37 GLU QB 1.800 . 5.360 2.678 2.525 2.916 . 0 0 "[ . 1 . 2]" 1
496 1 36 LEU HG 1 37 GLU QG 1.800 . 3.520 2.936 2.509 3.290 . 0 0 "[ . 1 . 2]" 1
497 1 36 LEU HG 1 37 GLU H 1.800 . 4.470 3.239 2.991 3.483 . 0 0 "[ . 1 . 2]" 1
498 1 36 LEU H 1 36 LEU HB3 1.800 . 3.790 2.505 2.427 2.658 . 0 0 "[ . 1 . 2]" 1
499 1 36 LEU H 1 36 LEU HB2 1.800 . 3.790 2.867 2.795 2.997 . 0 0 "[ . 1 . 2]" 1
500 1 36 LEU H 1 36 LEU MD1 1.800 . 4.580 4.207 4.165 4.270 . 0 0 "[ . 1 . 2]" 1
501 1 36 LEU H 1 36 LEU MD2 1.800 . 4.650 4.400 4.354 4.508 . 0 0 "[ . 1 . 2]" 1
502 1 36 LEU H 1 77 ALA MB 1.800 . 5.000 4.821 4.390 5.076 0.076 5 0 "[ . 1 . 2]" 1
503 1 37 GLU HA 1 37 GLU QG 1.800 . 3.600 2.387 2.250 2.693 . 0 0 "[ . 1 . 2]" 1
504 1 37 GLU HA 1 38 PRO QD 1.800 . 3.790 2.269 2.221 2.346 . 0 0 "[ . 1 . 2]" 1
505 1 37 GLU HA 1 41 LEU MD1 1.800 . 4.300 3.312 2.323 4.221 . 0 0 "[ . 1 . 2]" 1
506 1 37 GLU HA 1 77 ALA HA 1.800 . 4.930 4.189 3.947 4.750 . 0 0 "[ . 1 . 2]" 1
507 1 37 GLU QG 1 41 LEU MD1 1.800 . 4.800 4.327 2.429 4.904 0.104 18 0 "[ . 1 . 2]" 1
508 1 37 GLU QG 1 76 THR HA 1.800 . 4.180 3.776 2.563 4.181 0.001 20 0 "[ . 1 . 2]" 1
509 1 37 GLU QG 1 76 THR HB 1.800 . 5.460 4.902 4.171 5.466 0.006 11 0 "[ . 1 . 2]" 1
510 1 37 GLU QG 1 77 ALA MB 1.800 . 4.800 4.454 4.040 4.774 . 0 0 "[ . 1 . 2]" 1
511 1 37 GLU H 1 37 GLU QG 1.800 . 3.810 2.459 2.268 2.595 . 0 0 "[ . 1 . 2]" 1
512 1 37 GLU H 1 38 PRO QD 1.800 . 4.520 2.486 2.360 2.556 . 0 0 "[ . 1 . 2]" 1
513 1 37 GLU H 1 41 LEU MD1 1.800 . 5.650 4.669 3.509 5.322 . 0 0 "[ . 1 . 2]" 1
514 1 37 GLU H 1 77 ALA HA 1.800 . 4.180 3.029 2.580 3.430 . 0 0 "[ . 1 . 2]" 1
515 1 37 GLU H 1 77 ALA MB 1.800 . 4.430 3.253 2.898 3.790 . 0 0 "[ . 1 . 2]" 1
516 1 38 PRO HA 1 39 THR H 1.800 . 3.790 2.572 2.210 3.266 . 0 0 "[ . 1 . 2]" 1
517 1 38 PRO HA 1 40 ILE MG 1.800 . 4.990 4.558 4.121 5.060 0.070 17 0 "[ . 1 . 2]" 1
518 1 38 PRO QB 1 40 ILE H 1.800 . 4.910 2.810 2.332 4.224 . 0 0 "[ . 1 . 2]" 1
519 1 38 PRO QD 1 40 ILE MG 1.800 . 4.800 4.026 2.591 4.830 0.030 5 0 "[ . 1 . 2]" 1
520 1 38 PRO QD 1 41 LEU MD1 1.800 . 3.830 2.654 2.051 3.802 . 0 0 "[ . 1 . 2]" 1
521 1 38 PRO QD 1 41 LEU MD2 1.800 . 5.120 3.988 3.230 4.625 . 0 0 "[ . 1 . 2]" 1
522 1 38 PRO QD 1 77 ALA HA 1.800 . 4.210 2.655 2.249 3.240 . 0 0 "[ . 1 . 2]" 1
523 1 38 PRO QD 1 77 ALA MB 1.800 . 4.690 3.835 3.414 4.463 . 0 0 "[ . 1 . 2]" 1
524 1 38 PRO QD 1 77 ALA H 1.800 . 5.270 4.688 4.024 5.362 0.092 6 0 "[ . 1 . 2]" 1
525 1 38 PRO QD 1 78 ILE MD 1.800 . 4.980 3.768 3.285 4.171 . 0 0 "[ . 1 . 2]" 1
526 1 38 PRO QD 1 78 ILE QG 1.800 . 5.520 3.798 3.558 4.049 . 0 0 "[ . 1 . 2]" 1
527 1 38 PRO QD 1 78 ILE H 1.800 . 4.480 3.603 3.305 3.943 . 0 0 "[ . 1 . 2]" 1
528 1 38 PRO QG 1 41 LEU MD1 1.800 . 5.020 3.316 2.333 5.008 . 0 0 "[ . 1 . 2]" 1
529 1 38 PRO QG 1 41 LEU MD2 1.800 . 5.720 3.584 2.811 4.573 . 0 0 "[ . 1 . 2]" 1
530 1 38 PRO QG 1 78 ILE HB 1.800 . 5.410 2.993 2.689 3.665 . 0 0 "[ . 1 . 2]" 1
531 1 38 PRO QG 1 78 ILE MD 1.800 . 4.800 2.320 2.104 2.713 . 0 0 "[ . 1 . 2]" 1
532 1 38 PRO QG 1 78 ILE QG 1.800 . 4.570 2.988 2.267 4.038 . 0 0 "[ . 1 . 2]" 1
533 1 38 PRO QG 1 78 ILE H 1.800 . 6.000 3.418 2.997 4.183 . 0 0 "[ . 1 . 2]" 1
534 1 39 THR HA 1 39 THR MG 1.800 . 3.590 2.468 2.219 3.203 . 0 0 "[ . 1 . 2]" 1
535 1 39 THR HA 1 42 ALA H 1.800 . 4.500 3.882 3.476 4.343 . 0 0 "[ . 1 . 2]" 1
536 1 39 THR HB 1 40 ILE H 1.800 . 4.850 4.138 3.046 4.570 . 0 0 "[ . 1 . 2]" 1
537 1 39 THR MG 1 40 ILE H 1.800 . 4.750 3.850 2.425 4.331 . 0 0 "[ . 1 . 2]" 1
538 1 39 THR H 1 39 THR MG 1.800 . 3.800 2.574 1.717 3.897 0.097 4 0 "[ . 1 . 2]" 1
539 1 39 THR H 1 40 ILE H 1.800 . 4.660 2.694 2.352 4.102 . 0 0 "[ . 1 . 2]" 1
540 1 40 ILE HA 1 40 ILE MD 1.800 . 4.200 2.854 2.132 3.692 . 0 0 "[ . 1 . 2]" 1
541 1 40 ILE HA 1 43 LYS QB 1.800 . 4.870 2.863 2.296 3.215 . 0 0 "[ . 1 . 2]" 1
542 1 40 ILE HA 1 43 LYS H 1.800 . 4.740 3.221 3.121 3.338 . 0 0 "[ . 1 . 2]" 1
543 1 40 ILE HB 1 40 ILE MD 1.800 . 3.160 2.262 2.205 2.316 . 0 0 "[ . 1 . 2]" 1
544 1 40 ILE HB 1 41 LEU H 1.800 . 5.150 4.195 3.942 4.340 . 0 0 "[ . 1 . 2]" 1
545 1 40 ILE HB 1 49 ILE MD 1.800 . 4.620 4.211 4.023 4.424 . 0 0 "[ . 1 . 2]" 1
546 1 40 ILE HB 1 49 ILE QG 1.800 . 5.740 5.560 4.846 5.899 0.159 10 0 "[ . 1 . 2]" 1
547 1 40 ILE HB 1 78 ILE MD 1.800 . 5.490 4.637 3.836 5.461 . 0 0 "[ . 1 . 2]" 1
548 1 40 ILE MD 1 41 LEU H 1.800 . 5.850 5.055 4.680 5.371 . 0 0 "[ . 1 . 2]" 1
549 1 40 ILE MD 1 43 LYS QB 1.800 . 4.400 3.477 2.407 4.450 0.050 20 0 "[ . 1 . 2]" 1
550 1 40 ILE MD 1 43 LYS H 1.800 . 5.700 4.920 4.053 5.730 0.030 8 0 "[ . 1 . 2]" 1
551 1 40 ILE MD 1 44 GLU HB3 1.800 . 5.950 4.453 3.145 5.343 . 0 0 "[ . 1 . 2]" 1
552 1 40 ILE MD 1 44 GLU HB2 1.800 . 5.950 3.349 2.540 4.539 . 0 0 "[ . 1 . 2]" 1
553 1 40 ILE MD 1 44 GLU H 1.800 . 5.300 3.899 2.636 5.301 0.001 10 0 "[ . 1 . 2]" 1
554 1 40 ILE MD 1 49 ILE MD 1.800 . 4.550 3.160 2.107 4.131 . 0 0 "[ . 1 . 2]" 1
555 1 40 ILE MD 1 49 ILE QG 1.800 . 4.100 3.492 2.352 4.209 0.109 14 0 "[ . 1 . 2]" 1
556 1 40 ILE QG 1 41 LEU H 1.800 . 5.980 4.322 3.994 4.491 . 0 0 "[ . 1 . 2]" 1
557 1 40 ILE QG 1 42 ALA H 1.800 . 5.870 5.016 4.550 5.520 . 0 0 "[ . 1 . 2]" 1
558 1 40 ILE HG13 1 44 GLU H 1.800 . 5.060 3.276 2.599 4.603 . 0 0 "[ . 1 . 2]" 1
559 1 40 ILE HG13 1 49 ILE MD 1.800 . 4.940 3.587 2.348 4.653 . 0 0 "[ . 1 . 2]" 1
560 1 40 ILE HG13 1 49 ILE QG 1.800 . 5.100 4.335 2.866 5.110 0.010 7 0 "[ . 1 . 2]" 1
561 1 40 ILE HG12 1 44 GLU H 1.800 . 5.060 4.054 2.825 4.963 . 0 0 "[ . 1 . 2]" 1
562 1 40 ILE HG12 1 49 ILE MD 1.800 . 4.940 2.695 2.252 3.326 . 0 0 "[ . 1 . 2]" 1
563 1 40 ILE HG12 1 49 ILE QG 1.800 . 5.100 3.518 2.632 3.958 . 0 0 "[ . 1 . 2]" 1
564 1 40 ILE MD 1 40 ILE MG 1.800 . 3.640 2.695 2.026 3.265 . 0 0 "[ . 1 . 2]" 1
565 1 40 ILE HG13 1 40 ILE MG 1.800 . 3.500 2.799 2.373 3.205 . 0 0 "[ . 1 . 2]" 1
566 1 40 ILE HG12 1 40 ILE MG 1.800 . 3.500 2.259 2.185 2.375 . 0 0 "[ . 1 . 2]" 1
567 1 40 ILE MG 1 41 LEU HA 1.800 . 5.040 3.328 3.147 3.440 . 0 0 "[ . 1 . 2]" 1
568 1 40 ILE MG 1 41 LEU QB 1.800 . 4.920 4.040 3.772 4.257 . 0 0 "[ . 1 . 2]" 1
569 1 40 ILE MG 1 41 LEU MD2 1.800 . 3.790 2.578 2.248 3.093 . 0 0 "[ . 1 . 2]" 1
570 1 40 ILE MG 1 41 LEU HG 1.800 . 3.860 2.642 2.433 2.970 . 0 0 "[ . 1 . 2]" 1
571 1 40 ILE MG 1 41 LEU H 1.800 . 3.790 2.713 2.174 2.979 . 0 0 "[ . 1 . 2]" 1
572 1 40 ILE MG 1 42 ALA H 1.800 . 4.930 4.495 4.411 4.601 . 0 0 "[ . 1 . 2]" 1
573 1 40 ILE MG 1 43 LYS H 1.800 . 6.050 4.848 4.584 5.042 . 0 0 "[ . 1 . 2]" 1
574 1 40 ILE MG 1 44 GLU QB 1.800 . 6.000 4.184 3.736 4.802 . 0 0 "[ . 1 . 2]" 1
575 1 40 ILE MG 1 49 ILE MD 1.800 . 3.340 2.224 1.993 2.450 . 0 0 "[ . 1 . 2]" 1
576 1 40 ILE MG 1 49 ILE QG 1.800 . 4.940 3.764 3.166 4.095 . 0 0 "[ . 1 . 2]" 1
577 1 40 ILE MG 1 49 ILE MG 1.800 . 4.420 4.271 3.487 4.568 0.148 13 0 "[ . 1 . 2]" 1
578 1 40 ILE MG 1 78 ILE MD 1.800 . 3.380 2.431 1.930 3.037 . 0 0 "[ . 1 . 2]" 1
579 1 40 ILE H 1 40 ILE HB 1.800 . 3.480 2.526 2.269 3.489 0.009 13 0 "[ . 1 . 2]" 1
580 1 40 ILE H 1 40 ILE MD 1.800 . 4.790 4.107 3.707 4.427 . 0 0 "[ . 1 . 2]" 1
581 1 40 ILE H 1 40 ILE QG 1.800 . 5.440 4.071 3.980 4.358 . 0 0 "[ . 1 . 2]" 1
582 1 40 ILE H 1 40 ILE MG 1.800 . 3.530 2.270 1.995 2.654 . 0 0 "[ . 1 . 2]" 1
583 1 40 ILE H 1 41 LEU H 1.800 . 4.310 2.515 1.712 2.838 0.088 13 0 "[ . 1 . 2]" 1
584 1 40 ILE H 1 49 ILE MD 1.800 . 6.000 5.422 5.176 5.884 . 0 0 "[ . 1 . 2]" 1
585 1 40 ILE H 1 78 ILE MD 1.800 . 5.500 4.861 4.287 5.516 0.016 4 0 "[ . 1 . 2]" 1
586 1 41 LEU HA 1 41 LEU MD1 1.800 . 4.480 3.832 3.817 3.845 . 0 0 "[ . 1 . 2]" 1
587 1 41 LEU HA 1 41 LEU MD2 1.800 . 3.310 2.136 2.109 2.194 . 0 0 "[ . 1 . 2]" 1
588 1 41 LEU HA 1 44 GLU H 1.800 . 5.000 4.121 3.339 4.915 . 0 0 "[ . 1 . 2]" 1
589 1 41 LEU QB 1 41 LEU MD2 1.800 . 3.520 2.228 2.182 2.251 . 0 0 "[ . 1 . 2]" 1
590 1 41 LEU QB 1 42 ALA H 1.800 . 3.990 2.969 2.493 3.233 . 0 0 "[ . 1 . 2]" 1
591 1 41 LEU HB3 1 41 LEU MD1 1.800 . 3.550 2.374 2.318 2.463 . 0 0 "[ . 1 . 2]" 1
592 1 41 LEU HB2 1 41 LEU MD1 1.800 . 3.550 2.362 2.266 2.417 . 0 0 "[ . 1 . 2]" 1
593 1 41 LEU MD1 1 75 PRO HA 1.800 . 5.530 4.366 3.868 5.010 . 0 0 "[ . 1 . 2]" 1
594 1 41 LEU MD1 1 75 PRO HB3 1.800 . 5.580 3.626 3.001 4.845 . 0 0 "[ . 1 . 2]" 1
595 1 41 LEU MD1 1 75 PRO HB2 1.800 . 5.580 2.629 2.085 3.555 . 0 0 "[ . 1 . 2]" 1
596 1 41 LEU MD1 1 75 PRO HG3 1.800 . 5.800 4.743 3.559 5.692 . 0 0 "[ . 1 . 2]" 1
597 1 41 LEU MD1 1 75 PRO HG2 1.800 . 5.800 3.938 2.329 5.204 . 0 0 "[ . 1 . 2]" 1
598 1 41 LEU MD1 1 76 THR HA 1.800 . 5.200 3.152 2.264 4.781 . 0 0 "[ . 1 . 2]" 1
599 1 41 LEU MD1 1 76 THR H 1.800 . 4.990 3.983 3.097 4.962 . 0 0 "[ . 1 . 2]" 1
600 1 41 LEU MD1 1 77 ALA HA 1.800 . 4.700 4.159 3.556 4.692 . 0 0 "[ . 1 . 2]" 1
601 1 41 LEU MD1 1 77 ALA H 1.800 . 5.000 4.202 3.703 5.019 0.019 3 0 "[ . 1 . 2]" 1
602 1 41 LEU MD2 1 42 ALA H 1.800 . 5.250 4.649 4.524 4.838 . 0 0 "[ . 1 . 2]" 1
603 1 41 LEU MD2 1 45 SER HA 1.800 . 5.220 3.705 2.949 4.949 . 0 0 "[ . 1 . 2]" 1
604 1 41 LEU MD2 1 46 THR HA 1.800 . 4.790 3.692 3.000 4.531 . 0 0 "[ . 1 . 2]" 1
605 1 41 LEU MD2 1 46 THR MG 1.800 . 3.340 2.193 1.824 3.327 . 0 0 "[ . 1 . 2]" 1
606 1 41 LEU MD2 1 46 THR H 1.800 . 4.700 3.493 2.467 4.633 . 0 0 "[ . 1 . 2]" 1
607 1 41 LEU MD2 1 49 ILE MD 1.800 . 4.310 3.478 2.616 3.778 . 0 0 "[ . 1 . 2]" 1
608 1 41 LEU MD2 1 68 GLY QA 1.800 . 5.700 5.216 4.774 5.673 . 0 0 "[ . 1 . 2]" 1
609 1 41 LEU MD2 1 75 PRO QB 1.800 . 5.830 2.568 1.966 3.271 . 0 0 "[ . 1 . 2]" 1
610 1 41 LEU MD2 1 75 PRO QG 1.800 . 6.000 3.443 2.746 4.433 . 0 0 "[ . 1 . 2]" 1
611 1 41 LEU HG 1 49 ILE MD 1.800 . 5.280 5.036 4.363 5.294 0.014 1 0 "[ . 1 . 2]" 1
612 1 41 LEU HG 1 78 ILE MD 1.800 . 4.930 3.707 3.093 4.468 . 0 0 "[ . 1 . 2]" 1
613 1 41 LEU HG 1 78 ILE QG 1.800 . 5.270 4.762 4.193 5.265 . 0 0 "[ . 1 . 2]" 1
614 1 41 LEU H 1 41 LEU QB 1.800 . 3.650 2.452 2.366 2.582 . 0 0 "[ . 1 . 2]" 1
615 1 41 LEU H 1 41 LEU MD1 1.800 . 4.690 3.570 3.453 3.705 . 0 0 "[ . 1 . 2]" 1
616 1 41 LEU H 1 41 LEU MD2 1.800 . 5.020 3.398 2.975 3.751 . 0 0 "[ . 1 . 2]" 1
617 1 41 LEU H 1 41 LEU HG 1.800 . 4.040 2.242 1.889 2.478 . 0 0 "[ . 1 . 2]" 1
618 1 41 LEU H 1 42 ALA H 1.800 . 3.490 2.430 2.160 2.679 . 0 0 "[ . 1 . 2]" 1
619 1 42 ALA HA 1 43 LYS H 1.800 . 3.840 3.460 3.398 3.528 . 0 0 "[ . 1 . 2]" 1
620 1 42 ALA MB 1 43 LYS H 1.800 . 3.600 2.876 2.603 3.041 . 0 0 "[ . 1 . 2]" 1
621 1 42 ALA H 1 42 ALA MB 1.800 . 2.890 2.298 2.209 2.384 . 0 0 "[ . 1 . 2]" 1
622 1 42 ALA H 1 43 LYS QB 1.800 . 4.640 4.263 3.994 4.649 0.009 2 0 "[ . 1 . 2]" 1
623 1 42 ALA H 1 44 GLU H 1.800 . 4.600 4.269 3.631 4.708 0.108 13 0 "[ . 1 . 2]" 1
624 1 43 LYS HA 1 43 LYS QD 1.800 . 4.200 3.873 2.178 4.144 . 0 0 "[ . 1 . 2]" 1
625 1 43 LYS HA 1 43 LYS QG 1.800 . 3.490 2.343 2.257 2.952 . 0 0 "[ . 1 . 2]" 1
626 1 43 LYS QB 1 43 LYS QD 1.800 . 2.890 2.173 2.127 2.259 . 0 0 "[ . 1 . 2]" 1
627 1 43 LYS QB 1 44 GLU H 1.800 . 3.410 2.210 1.802 3.058 . 0 0 "[ . 1 . 2]" 1
628 1 43 LYS QD 1 44 GLU H 1.800 . 5.600 4.472 3.808 5.162 . 0 0 "[ . 1 . 2]" 1
629 1 43 LYS QD 1 43 LYS QG 1.800 . 2.480 2.088 2.036 2.111 . 0 0 "[ . 1 . 2]" 1
630 1 43 LYS QE 1 43 LYS QG 1.800 . 3.340 2.214 2.130 2.331 . 0 0 "[ . 1 . 2]" 1
631 1 43 LYS QG 1 44 GLU H 1.800 . 5.870 3.877 3.147 4.194 . 0 0 "[ . 1 . 2]" 1
632 1 43 LYS H 1 43 LYS QB 1.800 . 3.210 2.398 2.328 2.507 . 0 0 "[ . 1 . 2]" 1
633 1 43 LYS H 1 43 LYS QD 1.800 . 4.940 4.174 3.458 4.604 . 0 0 "[ . 1 . 2]" 1
634 1 43 LYS H 1 43 LYS QG 1.800 . 4.270 2.896 2.153 4.062 . 0 0 "[ . 1 . 2]" 1
635 1 43 LYS H 1 44 GLU H 1.800 . 3.060 2.491 2.038 2.887 . 0 0 "[ . 1 . 2]" 1
636 1 44 GLU HA 1 44 GLU HG3 1.800 . 4.110 3.151 2.334 3.708 . 0 0 "[ . 1 . 2]" 1
637 1 44 GLU HA 1 44 GLU HG2 1.800 . 4.110 2.758 2.410 3.587 . 0 0 "[ . 1 . 2]" 1
638 1 44 GLU HA 1 45 SER H 1.800 . 3.300 2.254 2.170 2.363 . 0 0 "[ . 1 . 2]" 1
639 1 44 GLU HB3 1 45 SER H 1.800 . 4.250 2.953 2.522 4.048 . 0 0 "[ . 1 . 2]" 1
640 1 44 GLU HB3 1 49 ILE MD 1.800 . 5.710 4.466 2.728 5.818 0.108 18 0 "[ . 1 . 2]" 1
641 1 44 GLU HB3 1 49 ILE QG 1.800 . 5.780 3.692 2.831 4.979 . 0 0 "[ . 1 . 2]" 1
642 1 44 GLU HB2 1 45 SER H 1.800 . 4.250 3.967 3.718 4.188 . 0 0 "[ . 1 . 2]" 1
643 1 44 GLU HB2 1 49 ILE MD 1.800 . 5.710 4.095 3.067 5.242 . 0 0 "[ . 1 . 2]" 1
644 1 44 GLU HB2 1 49 ILE QG 1.800 . 6.000 3.790 3.212 4.555 . 0 0 "[ . 1 . 2]" 1
645 1 44 GLU QG 1 45 SER H 1.800 . 4.550 3.934 2.425 4.521 . 0 0 "[ . 1 . 2]" 1
646 1 44 GLU H 1 44 GLU HB3 1.800 . 4.290 3.689 2.645 3.868 . 0 0 "[ . 1 . 2]" 1
647 1 44 GLU H 1 44 GLU HB2 1.800 . 4.290 2.676 2.422 3.542 . 0 0 "[ . 1 . 2]" 1
648 1 44 GLU H 1 44 GLU QG 1.800 . 3.960 3.062 2.644 4.168 0.208 10 0 "[ . 1 . 2]" 1
649 1 44 GLU H 1 45 SER H 1.800 . 5.010 4.463 4.164 4.596 . 0 0 "[ . 1 . 2]" 1
650 1 44 GLU H 1 49 ILE MD 1.800 . 5.750 5.136 4.492 5.786 0.036 7 0 "[ . 1 . 2]" 1
651 1 45 SER HA 1 46 THR MG 1.800 . 4.760 3.707 3.465 4.043 . 0 0 "[ . 1 . 2]" 1
652 1 45 SER HA 1 46 THR H 1.800 . 3.030 2.405 2.276 2.725 . 0 0 "[ . 1 . 2]" 1
653 1 45 SER HA 1 47 ASP H 1.800 . 4.870 4.256 4.059 4.463 . 0 0 "[ . 1 . 2]" 1
654 1 45 SER HA 1 49 ILE MD 1.800 . 5.610 4.996 4.439 5.626 0.016 7 0 "[ . 1 . 2]" 1
655 1 45 SER QB 1 46 THR H 1.800 . 3.750 2.983 2.353 3.400 . 0 0 "[ . 1 . 2]" 1
656 1 45 SER QB 1 47 ASP QB 1.800 . 4.820 3.480 2.983 4.527 . 0 0 "[ . 1 . 2]" 1
657 1 45 SER QB 1 47 ASP H 1.800 . 3.810 3.011 2.447 3.458 . 0 0 "[ . 1 . 2]" 1
658 1 45 SER QB 1 48 ASP H 1.800 . 4.870 2.976 2.522 3.854 . 0 0 "[ . 1 . 2]" 1
659 1 45 SER H 1 45 SER QB 1.800 . 3.490 2.298 2.180 2.670 . 0 0 "[ . 1 . 2]" 1
660 1 45 SER H 1 48 ASP QB 1.800 . 4.140 2.887 2.264 4.145 0.005 18 0 "[ . 1 . 2]" 1
661 1 45 SER H 1 48 ASP H 1.800 . 5.100 4.077 3.772 4.617 . 0 0 "[ . 1 . 2]" 1
662 1 46 THR HA 1 46 THR MG 1.800 . 3.390 2.450 2.268 3.202 . 0 0 "[ . 1 . 2]" 1
663 1 46 THR HA 1 47 ASP H 1.800 . 3.860 3.519 3.465 3.547 . 0 0 "[ . 1 . 2]" 1
664 1 46 THR HA 1 48 ASP H 1.800 . 4.410 3.950 3.660 4.356 . 0 0 "[ . 1 . 2]" 1
665 1 46 THR HA 1 49 ILE HB 1.800 . 4.720 3.213 2.476 3.698 . 0 0 "[ . 1 . 2]" 1
666 1 46 THR HA 1 49 ILE MD 1.800 . 3.610 2.297 2.153 2.655 . 0 0 "[ . 1 . 2]" 1
667 1 46 THR HA 1 49 ILE HG13 1.800 . 5.380 3.215 2.749 3.832 . 0 0 "[ . 1 . 2]" 1
668 1 46 THR HA 1 49 ILE HG12 1.800 . 5.380 4.575 4.159 5.105 . 0 0 "[ . 1 . 2]" 1
669 1 46 THR HA 1 49 ILE H 1.800 . 4.880 3.540 3.294 3.802 . 0 0 "[ . 1 . 2]" 1
670 1 46 THR HB 1 47 ASP H 1.800 . 4.700 3.810 3.581 4.183 . 0 0 "[ . 1 . 2]" 1
671 1 46 THR HB 1 49 ILE MD 1.800 . 5.000 3.942 2.986 4.658 . 0 0 "[ . 1 . 2]" 1
672 1 46 THR HB 1 68 GLY QA 1.800 . 5.260 3.495 2.830 4.709 . 0 0 "[ . 1 . 2]" 1
673 1 46 THR HB 1 78 ILE MD 1.800 . 5.350 3.895 2.518 4.934 . 0 0 "[ . 1 . 2]" 1
674 1 46 THR MG 1 47 ASP H 1.800 . 4.510 3.645 1.851 4.026 . 0 0 "[ . 1 . 2]" 1
675 1 46 THR MG 1 48 ASP H 1.800 . 5.780 5.045 4.070 5.482 . 0 0 "[ . 1 . 2]" 1
676 1 46 THR MG 1 68 GLY HA3 1.800 . 4.800 3.770 3.181 4.430 . 0 0 "[ . 1 . 2]" 1
677 1 46 THR MG 1 68 GLY HA2 1.800 . 4.800 4.440 3.809 4.832 0.032 16 0 "[ . 1 . 2]" 1
678 1 46 THR MG 1 69 LYS H 1.800 . 5.310 4.825 4.169 5.277 . 0 0 "[ . 1 . 2]" 1
679 1 46 THR MG 1 70 PHE QE 1.800 . 4.800 2.887 2.259 3.700 . 0 0 "[ . 1 . 2]" 1
680 1 46 THR MG 1 75 PRO HB3 1.800 . 5.460 2.536 2.150 3.429 . 0 0 "[ . 1 . 2]" 1
681 1 46 THR MG 1 75 PRO HB2 1.800 . 5.460 3.372 2.340 4.631 . 0 0 "[ . 1 . 2]" 1
682 1 46 THR MG 1 75 PRO HD3 1.800 . 6.050 4.986 4.295 5.737 . 0 0 "[ . 1 . 2]" 1
683 1 46 THR MG 1 75 PRO HD2 1.800 . 6.050 5.360 4.961 6.027 . 0 0 "[ . 1 . 2]" 1
684 1 46 THR MG 1 75 PRO HG3 1.800 . 5.200 3.256 2.741 3.800 . 0 0 "[ . 1 . 2]" 1
685 1 46 THR MG 1 75 PRO HG2 1.800 . 5.200 3.757 3.131 4.575 . 0 0 "[ . 1 . 2]" 1
686 1 46 THR MG 1 78 ILE MD 1.800 . 4.600 2.730 2.169 4.180 . 0 0 "[ . 1 . 2]" 1
687 1 46 THR H 1 46 THR HB 1.800 . 4.090 3.484 2.505 3.707 . 0 0 "[ . 1 . 2]" 1
688 1 46 THR H 1 46 THR MG 1.800 . 3.260 2.135 1.742 2.405 0.058 13 0 "[ . 1 . 2]" 1
689 1 46 THR H 1 47 ASP H 1.800 . 3.430 2.598 2.173 2.733 . 0 0 "[ . 1 . 2]" 1
690 1 46 THR H 1 49 ILE MD 1.800 . 5.140 4.509 4.180 4.792 . 0 0 "[ . 1 . 2]" 1
691 1 46 THR H 1 78 ILE MD 1.800 . 6.000 5.142 4.601 5.887 . 0 0 "[ . 1 . 2]" 1
692 1 47 ASP HA 1 48 ASP H 1.800 . 3.830 3.468 3.363 3.545 . 0 0 "[ . 1 . 2]" 1
693 1 47 ASP HA 1 49 ILE H 1.800 . 4.990 3.750 3.507 4.315 . 0 0 "[ . 1 . 2]" 1
694 1 47 ASP QB 1 48 ASP H 1.800 . 3.970 3.030 2.545 3.789 . 0 0 "[ . 1 . 2]" 1
695 1 47 ASP H 1 47 ASP QB 1.800 . 2.950 2.356 2.217 2.643 . 0 0 "[ . 1 . 2]" 1
696 1 47 ASP H 1 48 ASP H 1.800 . 3.410 2.571 2.505 2.676 . 0 0 "[ . 1 . 2]" 1
697 1 47 ASP H 1 49 ILE H 1.800 . 4.970 4.069 3.851 4.196 . 0 0 "[ . 1 . 2]" 1
698 1 48 ASP QB 1 49 ILE MD 1.800 . 5.300 4.558 4.294 5.399 0.099 18 0 "[ . 1 . 2]" 1
699 1 48 ASP QB 1 49 ILE H 1.800 . 4.350 3.177 2.666 3.361 . 0 0 "[ . 1 . 2]" 1
700 1 48 ASP H 1 48 ASP QB 1.800 . 3.230 2.332 2.230 2.465 . 0 0 "[ . 1 . 2]" 1
701 1 48 ASP H 1 49 ILE HB 1.800 . 4.890 4.650 4.406 4.873 . 0 0 "[ . 1 . 2]" 1
702 1 48 ASP H 1 49 ILE H 1.800 . 3.420 2.477 2.296 2.674 . 0 0 "[ . 1 . 2]" 1
703 1 49 ILE HA 1 49 ILE MD 1.800 . 4.650 3.825 3.808 3.844 . 0 0 "[ . 1 . 2]" 1
704 1 49 ILE HA 1 49 ILE HG13 1.800 . 4.330 2.880 2.829 2.949 . 0 0 "[ . 1 . 2]" 1
705 1 49 ILE HA 1 49 ILE HG12 1.800 . 4.330 2.546 2.506 2.586 . 0 0 "[ . 1 . 2]" 1
706 1 49 ILE HA 1 49 ILE MG 1.800 . 3.670 2.352 2.292 2.399 . 0 0 "[ . 1 . 2]" 1
707 1 49 ILE HA 1 50 THR H 1.800 . 3.500 2.351 2.135 3.513 0.013 3 0 "[ . 1 . 2]" 1
708 1 49 ILE HB 1 49 ILE MD 1.800 . 3.560 2.262 2.239 2.317 . 0 0 "[ . 1 . 2]" 1
709 1 49 ILE HB 1 50 THR H 1.800 . 4.980 4.011 1.776 4.408 0.024 18 0 "[ . 1 . 2]" 1
710 1 49 ILE MD 1 50 THR H 1.800 . 5.860 5.069 3.694 5.360 . 0 0 "[ . 1 . 2]" 1
711 1 49 ILE MD 1 68 GLY HA3 1.800 . 6.000 5.644 4.971 6.009 0.009 15 0 "[ . 1 . 2]" 1
712 1 49 ILE MD 1 68 GLY HA2 1.800 . 6.000 5.580 4.892 5.970 . 0 0 "[ . 1 . 2]" 1
713 1 49 ILE MD 1 78 ILE MD 1.800 . 3.430 2.300 1.945 2.709 . 0 0 "[ . 1 . 2]" 1
714 1 49 ILE MD 1 78 ILE MG 1.800 . 5.020 3.374 3.112 3.819 . 0 0 "[ . 1 . 2]" 1
715 1 49 ILE QG 1 50 THR H 1.800 . 5.200 4.124 3.806 4.259 . 0 0 "[ . 1 . 2]" 1
716 1 49 ILE MD 1 49 ILE MG 1.800 . 3.160 1.938 1.850 1.996 . 0 0 "[ . 1 . 2]" 1
717 1 49 ILE QG 1 49 ILE MG 1.800 . 3.650 2.285 2.271 2.339 . 0 0 "[ . 1 . 2]" 1
718 1 49 ILE MG 1 50 THR HA 1.800 . 4.680 3.651 3.385 3.950 . 0 0 "[ . 1 . 2]" 1
719 1 49 ILE MG 1 50 THR H 1.800 . 3.660 2.818 2.171 3.843 0.183 16 0 "[ . 1 . 2]" 1
720 1 49 ILE MG 1 51 GLY H 1.800 . 4.880 2.926 2.277 4.236 . 0 0 "[ . 1 . 2]" 1
721 1 49 ILE MG 1 78 ILE MD 1.800 . 4.090 3.503 2.756 4.078 . 0 0 "[ . 1 . 2]" 1
722 1 49 ILE MG 1 78 ILE MG 1.800 . 3.750 3.524 2.758 3.852 0.102 5 0 "[ . 1 . 2]" 1
723 1 49 ILE H 1 49 ILE HB 1.800 . 3.640 2.465 2.407 2.542 . 0 0 "[ . 1 . 2]" 1
724 1 49 ILE H 1 49 ILE MD 1.800 . 4.550 3.611 3.430 3.735 . 0 0 "[ . 1 . 2]" 1
725 1 49 ILE H 1 49 ILE HG13 1.800 . 4.940 2.476 2.038 2.679 . 0 0 "[ . 1 . 2]" 1
726 1 49 ILE H 1 49 ILE HG12 1.800 . 4.940 3.781 3.411 3.934 . 0 0 "[ . 1 . 2]" 1
727 1 49 ILE H 1 49 ILE MG 1.800 . 4.550 3.788 3.762 3.821 . 0 0 "[ . 1 . 2]" 1
728 1 49 ILE H 1 50 THR H 1.800 . 5.060 4.216 2.372 4.557 . 0 0 "[ . 1 . 2]" 1
729 1 50 THR HA 1 50 THR MG 1.800 . 3.690 2.602 2.225 3.201 . 0 0 "[ . 1 . 2]" 1
730 1 50 THR HA 1 51 GLY H 1.800 . 3.780 2.836 2.140 3.552 . 0 0 "[ . 1 . 2]" 1
731 1 50 THR HA 1 66 VAL HB 1.800 . 4.800 3.930 2.343 4.833 0.033 17 0 "[ . 1 . 2]" 1
732 1 50 THR HA 1 66 VAL MG1 1.800 . 5.100 4.400 3.270 5.164 0.064 14 0 "[ . 1 . 2]" 1
733 1 50 THR HB 1 64 ARG QD 1.800 . 5.410 4.743 3.509 5.492 0.082 4 0 "[ . 1 . 2]" 1
734 1 50 THR MG 1 51 GLY H 1.800 . 4.620 3.647 2.742 4.366 . 0 0 "[ . 1 . 2]" 1
735 1 50 THR MG 1 64 ARG HE 1.800 . 5.600 4.321 1.816 5.645 0.045 20 0 "[ . 1 . 2]" 1
736 1 50 THR H 1 50 THR MG 1.800 . 4.300 3.121 1.832 3.947 . 0 0 "[ . 1 . 2]" 1
737 1 51 GLY QA 1 52 MET H 1.800 . 3.370 2.259 2.156 2.328 . 0 0 "[ . 1 . 2]" 1
738 1 51 GLY QA 1 66 VAL MG1 1.800 . 6.000 3.949 2.501 4.845 . 0 0 "[ . 1 . 2]" 1
739 1 51 GLY HA3 1 62 ILE MG 1.800 . 5.260 4.199 3.724 5.026 . 0 0 "[ . 1 . 2]" 1
740 1 51 GLY HA3 1 64 ARG HA 1.800 . 4.090 3.001 2.393 3.952 . 0 0 "[ . 1 . 2]" 1
741 1 51 GLY HA3 1 64 ARG QD 1.800 . 5.040 2.884 2.553 3.140 . 0 0 "[ . 1 . 2]" 1
742 1 51 GLY HA3 1 64 ARG QG 1.800 . 5.870 4.405 4.155 4.936 . 0 0 "[ . 1 . 2]" 1
743 1 51 GLY HA3 1 66 VAL MG2 1.800 . 4.870 3.717 3.421 4.313 . 0 0 "[ . 1 . 2]" 1
744 1 51 GLY HA2 1 62 ILE MG 1.800 . 5.260 4.937 4.258 5.277 0.017 15 0 "[ . 1 . 2]" 1
745 1 51 GLY HA2 1 63 THR MG 1.800 . 6.050 4.176 3.559 5.233 . 0 0 "[ . 1 . 2]" 1
746 1 51 GLY HA2 1 64 ARG HA 1.800 . 4.090 2.406 2.267 2.748 . 0 0 "[ . 1 . 2]" 1
747 1 51 GLY HA2 1 64 ARG QD 1.800 . 5.040 3.403 2.275 3.967 . 0 0 "[ . 1 . 2]" 1
748 1 51 GLY HA2 1 64 ARG QG 1.800 . 5.870 4.325 3.914 4.981 . 0 0 "[ . 1 . 2]" 1
749 1 51 GLY HA2 1 66 VAL MG2 1.800 . 4.870 2.453 2.116 3.140 . 0 0 "[ . 1 . 2]" 1
750 1 51 GLY H 1 52 MET H 1.800 . 4.700 4.410 4.167 4.635 . 0 0 "[ . 1 . 2]" 1
751 1 51 GLY H 1 64 ARG HA 1.800 . 4.800 4.494 3.731 4.833 0.033 18 0 "[ . 1 . 2]" 1
752 1 51 GLY H 1 66 VAL MG1 1.800 . 4.540 3.847 2.825 4.614 0.074 3 0 "[ . 1 . 2]" 1
753 1 51 GLY H 1 66 VAL MG2 1.800 . 5.070 3.232 2.074 3.986 . 0 0 "[ . 1 . 2]" 1
754 1 52 MET HA 1 53 TYR H 1.800 . 3.400 2.204 2.127 2.270 . 0 0 "[ . 1 . 2]" 1
755 1 52 MET HA 1 66 VAL MG1 1.800 . 5.000 4.621 3.352 5.025 0.025 9 0 "[ . 1 . 2]" 1
756 1 52 MET HA 1 66 VAL MG2 1.800 . 5.130 3.811 3.208 5.026 . 0 0 "[ . 1 . 2]" 1
757 1 52 MET QB 1 63 THR H 1.800 . 4.510 3.727 3.218 4.293 . 0 0 "[ . 1 . 2]" 1
758 1 52 MET HB3 1 63 THR MG 1.800 . 4.590 3.124 2.032 4.656 0.066 1 0 "[ . 1 . 2]" 1
759 1 52 MET HB3 1 66 VAL MG1 1.800 . 5.320 4.659 2.948 5.374 0.054 9 0 "[ . 1 . 2]" 1
760 1 52 MET HB3 1 66 VAL MG2 1.800 . 5.120 3.386 2.778 5.144 0.024 17 0 "[ . 1 . 2]" 1
761 1 52 MET HB2 1 63 THR MG 1.800 . 4.590 3.985 3.092 4.637 0.047 9 0 "[ . 1 . 2]" 1
762 1 52 MET HB2 1 66 VAL MG1 1.800 . 4.480 3.429 2.066 4.368 . 0 0 "[ . 1 . 2]" 1
763 1 52 MET HB2 1 66 VAL MG2 1.800 . 5.120 2.555 2.072 4.395 . 0 0 "[ . 1 . 2]" 1
764 1 52 MET QG 1 53 TYR H 1.800 . 3.820 2.585 2.045 3.630 . 0 0 "[ . 1 . 2]" 1
765 1 52 MET QG 1 54 LEU MD2 1.800 . 4.430 2.843 2.210 4.444 0.014 1 0 "[ . 1 . 2]" 1
766 1 52 MET QG 1 66 VAL MG1 1.800 . 5.100 4.586 2.732 5.133 0.033 6 0 "[ . 1 . 2]" 1
767 1 52 MET H 1 52 MET HB3 1.800 . 4.200 2.770 2.574 3.671 . 0 0 "[ . 1 . 2]" 1
768 1 52 MET H 1 52 MET HB2 1.800 . 4.200 3.114 2.508 3.273 . 0 0 "[ . 1 . 2]" 1
769 1 52 MET H 1 53 TYR H 1.800 . 5.060 4.371 4.278 4.461 . 0 0 "[ . 1 . 2]" 1
770 1 52 MET H 1 62 ILE MG 1.800 . 5.100 3.925 3.192 4.710 . 0 0 "[ . 1 . 2]" 1
771 1 52 MET H 1 63 THR MG 1.800 . 4.200 3.399 2.380 4.311 0.111 9 0 "[ . 1 . 2]" 1
772 1 52 MET H 1 63 THR H 1.800 . 4.100 2.973 2.717 3.326 . 0 0 "[ . 1 . 2]" 1
773 1 52 MET H 1 64 ARG HA 1.800 . 4.300 3.709 2.921 4.026 . 0 0 "[ . 1 . 2]" 1
774 1 52 MET H 1 64 ARG QD 1.800 . 5.140 4.580 3.686 5.114 . 0 0 "[ . 1 . 2]" 1
775 1 52 MET H 1 66 VAL MG2 1.800 . 4.800 3.082 2.512 4.153 . 0 0 "[ . 1 . 2]" 1
776 1 53 TYR HA 1 53 TYR QD 1.800 . 5.390 2.954 2.284 3.101 . 0 0 "[ . 1 . 2]" 1
777 1 53 TYR HA 1 53 TYR QE 1.800 . 5.590 4.577 4.526 4.637 . 0 0 "[ . 1 . 2]" 1
778 1 53 TYR HA 1 54 LEU H 1.800 . 3.230 2.158 2.124 2.188 . 0 0 "[ . 1 . 2]" 1
779 1 53 TYR HA 1 62 ILE HA 1.800 . 4.000 2.931 2.495 3.321 . 0 0 "[ . 1 . 2]" 1
780 1 53 TYR HA 1 62 ILE MD 1.800 . 4.760 3.575 2.134 4.734 . 0 0 "[ . 1 . 2]" 1
781 1 53 TYR HA 1 63 THR H 1.800 . 4.300 3.881 3.402 4.280 . 0 0 "[ . 1 . 2]" 1
782 1 53 TYR QB 1 55 ILE HG13 1.800 . 5.610 3.967 2.896 4.394 . 0 0 "[ . 1 . 2]" 1
783 1 53 TYR QB 1 55 ILE HG12 1.800 . 5.610 4.288 3.065 5.037 . 0 0 "[ . 1 . 2]" 1
784 1 53 TYR HB3 1 54 LEU H 1.800 . 5.150 3.619 3.386 3.766 . 0 0 "[ . 1 . 2]" 1
785 1 53 TYR HB3 1 55 ILE MD 1.800 . 4.350 2.845 2.153 3.601 . 0 0 "[ . 1 . 2]" 1
786 1 53 TYR HB2 1 54 LEU H 1.800 . 5.150 4.366 4.108 4.432 . 0 0 "[ . 1 . 2]" 1
787 1 53 TYR HB2 1 55 ILE MD 1.800 . 4.350 3.428 2.358 4.422 0.072 12 0 "[ . 1 . 2]" 1
788 1 53 TYR QD 1 62 ILE MD 1.800 . 4.110 2.710 2.028 3.599 . 0 0 "[ . 1 . 2]" 1
789 1 53 TYR QD 1 62 ILE HG13 1.800 . 5.170 3.422 2.334 4.693 . 0 0 "[ . 1 . 2]" 1
790 1 53 TYR QD 1 62 ILE HG12 1.800 . 5.170 3.785 2.369 4.872 . 0 0 "[ . 1 . 2]" 1
791 1 53 TYR QD 1 62 ILE MG 1.800 . 4.600 3.538 2.364 3.918 . 0 0 "[ . 1 . 2]" 1
792 1 53 TYR QE 1 62 ILE MD 1.800 . 5.000 3.201 2.227 4.321 . 0 0 "[ . 1 . 2]" 1
793 1 53 TYR QE 1 62 ILE MG 1.800 . 4.380 2.960 2.269 3.548 . 0 0 "[ . 1 . 2]" 1
794 1 53 TYR H 1 53 TYR QD 1.800 . 3.840 2.423 2.164 3.227 . 0 0 "[ . 1 . 2]" 1
795 1 53 TYR H 1 53 TYR QE 1.800 . 5.380 4.546 4.373 4.695 . 0 0 "[ . 1 . 2]" 1
796 1 54 LEU HA 1 54 LEU MD1 1.800 . 5.280 3.784 3.378 3.879 . 0 0 "[ . 1 . 2]" 1
797 1 54 LEU HA 1 54 LEU MD2 1.800 . 3.750 2.263 2.098 3.453 . 0 0 "[ . 1 . 2]" 1
798 1 54 LEU HA 1 55 ILE H 1.800 . 3.500 2.177 2.137 2.209 . 0 0 "[ . 1 . 2]" 1
799 1 54 LEU QB 1 54 LEU MD1 1.800 . 3.710 2.116 2.097 2.187 . 0 0 "[ . 1 . 2]" 1
800 1 54 LEU QB 1 60 GLU HA 1.800 . 5.010 3.977 3.468 4.935 . 0 0 "[ . 1 . 2]" 1
801 1 54 LEU QB 1 61 ILE HB 1.800 . 3.890 2.357 2.271 2.572 . 0 0 "[ . 1 . 2]" 1
802 1 54 LEU QB 1 61 ILE MD 1.800 . 4.070 3.352 2.671 3.845 . 0 0 "[ . 1 . 2]" 1
803 1 54 LEU QB 1 61 ILE H 1.800 . 4.250 2.517 1.911 3.463 . 0 0 "[ . 1 . 2]" 1
804 1 54 LEU HB3 1 61 ILE MG 1.800 . 5.600 4.983 4.482 5.247 . 0 0 "[ . 1 . 2]" 1
805 1 54 LEU HB2 1 61 ILE MG 1.800 . 5.600 3.793 3.240 4.031 . 0 0 "[ . 1 . 2]" 1
806 1 54 LEU MD1 1 61 ILE HB 1.800 . 4.140 2.526 2.120 3.551 . 0 0 "[ . 1 . 2]" 1
807 1 54 LEU MD1 1 61 ILE MD 1.800 . 3.830 3.106 2.411 3.783 . 0 0 "[ . 1 . 2]" 1
808 1 54 LEU MD1 1 61 ILE MG 1.800 . 3.490 2.823 2.340 3.293 . 0 0 "[ . 1 . 2]" 1
809 1 54 LEU MD1 1 61 ILE H 1.800 . 5.420 4.120 3.476 5.230 . 0 0 "[ . 1 . 2]" 1
810 1 54 LEU MD1 1 82 VAL HB 1.800 . 5.070 4.519 4.204 5.048 . 0 0 "[ . 1 . 2]" 1
811 1 54 LEU MD1 1 82 VAL MG2 1.800 . 4.290 2.456 2.051 2.950 . 0 0 "[ . 1 . 2]" 1
812 1 54 LEU MD1 1 93 PHE QD 1.800 . 4.990 4.234 3.417 5.007 0.017 10 0 "[ . 1 . 2]" 1
813 1 54 LEU MD2 1 55 ILE H 1.800 . 5.150 3.826 3.364 4.971 . 0 0 "[ . 1 . 2]" 1
814 1 54 LEU MD2 1 82 VAL MG2 1.800 . 5.080 3.701 2.340 4.390 . 0 0 "[ . 1 . 2]" 1
815 1 54 LEU H 1 54 LEU QB 1.800 . 3.830 2.457 2.296 2.551 . 0 0 "[ . 1 . 2]" 1
816 1 54 LEU H 1 54 LEU MD1 1.800 . 4.430 3.494 1.852 3.770 . 0 0 "[ . 1 . 2]" 1
817 1 54 LEU H 1 54 LEU MD2 1.800 . 4.920 3.608 3.313 4.157 . 0 0 "[ . 1 . 2]" 1
818 1 54 LEU H 1 54 LEU HG 1.800 . 3.860 2.539 2.270 3.259 . 0 0 "[ . 1 . 2]" 1
819 1 54 LEU H 1 61 ILE HB 1.800 . 4.650 3.887 3.071 4.536 . 0 0 "[ . 1 . 2]" 1
820 1 54 LEU H 1 61 ILE H 1.800 . 4.150 3.180 2.845 3.578 . 0 0 "[ . 1 . 2]" 1
821 1 54 LEU H 1 62 ILE HA 1.800 . 4.300 3.591 3.112 4.264 . 0 0 "[ . 1 . 2]" 1
822 1 54 LEU H 1 62 ILE MD 1.800 . 4.800 4.024 2.638 4.868 0.068 6 0 "[ . 1 . 2]" 1
823 1 55 ILE HA 1 55 ILE MD 1.800 . 4.000 2.900 2.089 3.829 . 0 0 "[ . 1 . 2]" 1
824 1 55 ILE HA 1 55 ILE HG13 1.800 . 4.500 2.709 2.334 3.778 . 0 0 "[ . 1 . 2]" 1
825 1 55 ILE HA 1 55 ILE HG12 1.800 . 4.500 3.311 2.527 3.641 . 0 0 "[ . 1 . 2]" 1
826 1 55 ILE HA 1 55 ILE MG 1.800 . 3.450 2.359 2.290 2.415 . 0 0 "[ . 1 . 2]" 1
827 1 55 ILE HA 1 56 ASP H 1.800 . 3.800 2.185 2.123 2.431 . 0 0 "[ . 1 . 2]" 1
828 1 55 ILE HA 1 60 GLU HA 1.800 . 4.000 2.917 2.262 3.273 . 0 0 "[ . 1 . 2]" 1
829 1 55 ILE HA 1 60 GLU QG 1.800 . 4.970 4.756 4.341 5.020 0.050 14 0 "[ . 1 . 2]" 1
830 1 55 ILE HB 1 55 ILE MD 1.800 . 3.690 2.445 2.208 3.224 . 0 0 "[ . 1 . 2]" 1
831 1 55 ILE HB 1 56 ASP H 1.800 . 5.130 4.229 3.646 4.482 . 0 0 "[ . 1 . 2]" 1
832 1 55 ILE MD 1 56 ASP H 1.800 . 5.400 4.486 3.582 5.163 . 0 0 "[ . 1 . 2]" 1
833 1 55 ILE MD 1 60 GLU HA 1.800 . 5.200 4.522 3.510 4.905 . 0 0 "[ . 1 . 2]" 1
834 1 55 ILE MD 1 60 GLU HB3 1.800 . 4.610 3.688 2.042 4.382 . 0 0 "[ . 1 . 2]" 1
835 1 55 ILE MD 1 60 GLU HB2 1.800 . 4.610 3.426 2.255 4.006 . 0 0 "[ . 1 . 2]" 1
836 1 55 ILE MD 1 60 GLU QG 1.800 . 5.100 4.739 3.439 5.159 0.059 18 0 "[ . 1 . 2]" 1
837 1 55 ILE MD 1 61 ILE H 1.800 . 5.060 4.716 4.049 5.272 0.212 8 0 "[ . 1 . 2]" 1
838 1 55 ILE QG 1 56 ASP H 1.800 . 4.800 4.203 3.755 4.693 . 0 0 "[ . 1 . 2]" 1
839 1 55 ILE QG 1 60 GLU HA 1.800 . 4.960 4.441 2.995 5.101 0.141 17 0 "[ . 1 . 2]" 1
840 1 55 ILE QG 1 60 GLU QB 1.800 . 4.060 2.947 2.135 3.687 . 0 0 "[ . 1 . 2]" 1
841 1 55 ILE QG 1 60 GLU QG 1.800 . 5.200 4.706 3.910 5.448 0.248 17 0 "[ . 1 . 2]" 1
842 1 55 ILE HG13 1 60 GLU QB 1.800 . 4.680 3.347 2.564 4.620 . 0 0 "[ . 1 . 2]" 1
843 1 55 ILE HG12 1 60 GLU QB 1.800 . 4.680 4.001 2.166 4.720 0.040 11 0 "[ . 1 . 2]" 1
844 1 55 ILE MD 1 55 ILE MG 1.800 . 3.530 2.764 1.809 3.251 . 0 0 "[ . 1 . 2]" 1
845 1 55 ILE HG13 1 55 ILE MG 1.800 . 3.520 2.593 2.294 3.196 . 0 0 "[ . 1 . 2]" 1
846 1 55 ILE HG12 1 55 ILE MG 1.800 . 3.520 2.436 2.169 3.204 . 0 0 "[ . 1 . 2]" 1
847 1 55 ILE MG 1 56 ASP HA 1.800 . 5.010 3.681 3.158 4.022 . 0 0 "[ . 1 . 2]" 1
848 1 55 ILE MG 1 56 ASP H 1.800 . 3.410 2.672 1.766 3.293 0.034 6 0 "[ . 1 . 2]" 1
849 1 55 ILE MG 1 60 GLU HA 1.800 . 4.940 4.436 3.272 4.931 . 0 0 "[ . 1 . 2]" 1
850 1 55 ILE MG 1 60 GLU HB3 1.800 . 4.970 3.541 3.050 3.880 . 0 0 "[ . 1 . 2]" 1
851 1 55 ILE MG 1 60 GLU HB2 1.800 . 4.970 4.527 3.886 4.978 0.008 11 0 "[ . 1 . 2]" 1
852 1 55 ILE MG 1 60 GLU QG 1.800 . 5.490 5.123 4.647 5.445 . 0 0 "[ . 1 . 2]" 1
853 1 55 ILE H 1 55 ILE HB 1.800 . 3.660 2.487 2.398 2.607 . 0 0 "[ . 1 . 2]" 1
854 1 55 ILE H 1 55 ILE MD 1.800 . 4.420 2.661 1.898 4.081 . 0 0 "[ . 1 . 2]" 1
855 1 55 ILE H 1 55 ILE HG13 1.800 . 4.600 3.653 2.779 4.050 . 0 0 "[ . 1 . 2]" 1
856 1 55 ILE H 1 55 ILE HG12 1.800 . 4.600 3.815 2.630 4.209 . 0 0 "[ . 1 . 2]" 1
857 1 55 ILE H 1 55 ILE MG 1.800 . 4.270 3.799 3.757 3.857 . 0 0 "[ . 1 . 2]" 1
858 1 56 ASP QB 1 57 ASP H 1.800 . 4.000 2.524 1.737 3.902 0.063 10 0 "[ . 1 . 2]" 1
859 1 56 ASP QB 1 58 GLU H 1.800 . 5.220 3.666 2.344 5.323 0.103 17 0 "[ . 1 . 2]" 1
860 1 56 ASP H 1 59 GLY H 1.800 . 4.600 4.383 3.396 4.691 0.091 19 0 "[ . 1 . 2]" 1
861 1 56 ASP H 1 60 GLU HA 1.800 . 4.600 3.175 1.939 4.400 . 0 0 "[ . 1 . 2]" 1
862 1 57 ASP H 1 57 ASP QB 1.800 . 3.810 2.693 2.244 3.308 . 0 0 "[ . 1 . 2]" 1
863 1 57 ASP H 1 58 GLU H 1.800 . 4.160 3.087 2.420 4.408 0.248 5 0 "[ . 1 . 2]" 1
864 1 58 GLU HA 1 58 GLU QG 1.800 . 3.780 2.481 2.287 3.315 . 0 0 "[ . 1 . 2]" 1
865 1 58 GLU QB 1 59 GLY H 1.800 . 3.840 2.794 1.772 4.027 0.187 16 0 "[ . 1 . 2]" 1
866 1 58 GLU QG 1 59 GLY H 1.800 . 5.480 3.733 2.480 4.465 . 0 0 "[ . 1 . 2]" 1
867 1 58 GLU H 1 58 GLU HB3 1.800 . 4.060 3.505 2.588 4.119 0.059 19 0 "[ . 1 . 2]" 1
868 1 58 GLU H 1 58 GLU HB2 1.800 . 4.060 3.146 2.381 3.818 . 0 0 "[ . 1 . 2]" 1
869 1 58 GLU H 1 58 GLU QG 1.800 . 4.860 3.429 2.024 4.316 . 0 0 "[ . 1 . 2]" 1
870 1 58 GLU H 1 59 GLY H 1.800 . 3.400 2.764 1.781 3.499 0.099 13 0 "[ . 1 . 2]" 1
871 1 59 GLY QA 1 60 GLU H 1.800 . 2.870 2.242 2.134 2.316 . 0 0 "[ . 1 . 2]" 1
872 1 59 GLY H 1 60 GLU H 1.800 . 4.740 4.437 4.072 4.674 . 0 0 "[ . 1 . 2]" 1
873 1 60 GLU HA 1 61 ILE QG 1.800 . 5.120 3.551 3.409 4.185 . 0 0 "[ . 1 . 2]" 1
874 1 60 GLU HA 1 61 ILE H 1.800 . 3.330 2.275 2.203 2.345 . 0 0 "[ . 1 . 2]" 1
875 1 60 GLU HB3 1 61 ILE H 1.800 . 4.840 3.961 3.846 4.088 . 0 0 "[ . 1 . 2]" 1
876 1 60 GLU HB3 1 62 ILE MD 1.800 . 5.330 4.745 4.460 5.310 . 0 0 "[ . 1 . 2]" 1
877 1 60 GLU HB2 1 61 ILE H 1.800 . 4.840 2.802 2.639 2.955 . 0 0 "[ . 1 . 2]" 1
878 1 60 GLU HB2 1 62 ILE MD 1.800 . 5.330 3.497 3.070 4.290 . 0 0 "[ . 1 . 2]" 1
879 1 60 GLU QG 1 61 ILE H 1.800 . 4.800 3.806 3.645 4.054 . 0 0 "[ . 1 . 2]" 1
880 1 60 GLU QG 1 62 ILE MD 1.800 . 4.190 2.854 2.198 3.609 . 0 0 "[ . 1 . 2]" 1
881 1 60 GLU QG 1 62 ILE HG13 1.800 . 5.180 4.376 3.222 5.062 . 0 0 "[ . 1 . 2]" 1
882 1 60 GLU QG 1 62 ILE HG12 1.800 . 5.180 4.291 3.124 5.199 0.019 6 0 "[ . 1 . 2]" 1
883 1 60 GLU QG 1 62 ILE H 1.800 . 5.380 4.787 4.554 5.114 . 0 0 "[ . 1 . 2]" 1
884 1 60 GLU H 1 60 GLU QB 1.800 . 3.720 3.177 3.091 3.292 . 0 0 "[ . 1 . 2]" 1
885 1 60 GLU H 1 60 GLU QG 1.800 . 3.970 2.347 2.168 2.736 . 0 0 "[ . 1 . 2]" 1
886 1 60 GLU H 1 61 ILE H 1.800 . 4.910 4.382 4.315 4.438 . 0 0 "[ . 1 . 2]" 1
887 1 61 ILE HA 1 61 ILE MD 1.800 . 4.510 3.801 3.386 3.849 . 0 0 "[ . 1 . 2]" 1
888 1 61 ILE HA 1 61 ILE MG 1.800 . 3.690 2.336 2.289 2.364 . 0 0 "[ . 1 . 2]" 1
889 1 61 ILE HA 1 62 ILE H 1.800 . 3.030 2.180 2.120 2.219 . 0 0 "[ . 1 . 2]" 1
890 1 61 ILE HB 1 61 ILE MD 1.800 . 3.690 2.304 2.224 2.354 . 0 0 "[ . 1 . 2]" 1
891 1 61 ILE MD 1 92 ARG HA 1.800 . 5.800 5.376 4.672 5.851 0.051 5 0 "[ . 1 . 2]" 1
892 1 61 ILE MD 1 92 ARG QB 1.800 . 4.290 3.129 2.289 3.907 . 0 0 "[ . 1 . 2]" 1
893 1 61 ILE MD 1 92 ARG QD 1.800 . 4.700 3.187 2.134 4.742 0.042 11 0 "[ . 1 . 2]" 1
894 1 61 ILE MD 1 92 ARG QG 1.800 . 4.190 3.544 2.616 4.306 0.116 13 0 "[ . 1 . 2]" 1
895 1 61 ILE MD 1 93 PHE HA 1.800 . 4.800 3.955 3.065 4.929 0.129 6 0 "[ . 1 . 2]" 1
896 1 61 ILE MD 1 93 PHE QD 1.800 . 4.140 3.594 2.086 4.210 0.070 13 0 "[ . 1 . 2]" 1
897 1 61 ILE MD 1 93 PHE H 1.800 . 5.050 4.345 3.606 5.035 . 0 0 "[ . 1 . 2]" 1
898 1 61 ILE MD 1 96 PHE QB 1.800 . 5.160 4.342 3.421 5.217 0.057 9 0 "[ . 1 . 2]" 1
899 1 61 ILE QG 1 62 ILE H 1.800 . 5.130 4.058 3.986 4.111 . 0 0 "[ . 1 . 2]" 1
900 1 61 ILE MG 1 62 ILE HA 1.800 . 4.870 3.804 3.609 3.891 . 0 0 "[ . 1 . 2]" 1
901 1 61 ILE MG 1 62 ILE QG 1.800 . 5.130 4.569 4.245 4.995 . 0 0 "[ . 1 . 2]" 1
902 1 61 ILE MG 1 62 ILE H 1.800 . 3.220 2.515 2.375 2.613 . 0 0 "[ . 1 . 2]" 1
903 1 61 ILE MG 1 93 PHE QD 1.800 . 5.800 4.946 3.523 5.670 . 0 0 "[ . 1 . 2]" 1
904 1 61 ILE H 1 61 ILE HB 1.800 . 3.890 2.591 2.535 2.701 . 0 0 "[ . 1 . 2]" 1
905 1 61 ILE H 1 61 ILE MD 1.800 . 4.830 3.790 2.090 4.018 . 0 0 "[ . 1 . 2]" 1
906 1 61 ILE H 1 61 ILE QG 1.800 . 4.360 2.857 2.664 3.337 . 0 0 "[ . 1 . 2]" 1
907 1 61 ILE H 1 62 ILE MD 1.800 . 5.250 3.942 3.475 5.337 0.087 5 0 "[ . 1 . 2]" 1
908 1 62 ILE HA 1 62 ILE MD 1.800 . 4.910 2.748 2.065 3.849 . 0 0 "[ . 1 . 2]" 1
909 1 62 ILE HA 1 63 THR H 1.800 . 3.090 2.163 2.134 2.193 . 0 0 "[ . 1 . 2]" 1
910 1 62 ILE HB 1 62 ILE MD 1.800 . 3.670 2.675 2.184 3.214 . 0 0 "[ . 1 . 2]" 1
911 1 62 ILE HB 1 63 THR H 1.800 . 4.550 4.172 4.112 4.263 . 0 0 "[ . 1 . 2]" 1
912 1 62 ILE MD 1 62 ILE MG 1.800 . 3.300 2.467 1.804 3.250 . 0 0 "[ . 1 . 2]" 1
913 1 62 ILE HG13 1 62 ILE MG 1.800 . 4.040 2.521 2.253 3.191 . 0 0 "[ . 1 . 2]" 1
914 1 62 ILE HG12 1 62 ILE MG 1.800 . 4.040 2.653 2.131 3.199 . 0 0 "[ . 1 . 2]" 1
915 1 62 ILE MG 1 63 THR H 1.800 . 3.480 2.674 2.480 2.894 . 0 0 "[ . 1 . 2]" 1
916 1 62 ILE MG 1 64 ARG QD 1.800 . 4.130 3.663 2.846 4.209 0.079 7 0 "[ . 1 . 2]" 1
917 1 62 ILE MG 1 64 ARG QG 1.800 . 5.490 4.003 2.564 5.492 0.002 7 0 "[ . 1 . 2]" 1
918 1 62 ILE MG 1 64 ARG H 1.800 . 5.140 4.285 3.915 4.873 . 0 0 "[ . 1 . 2]" 1
919 1 62 ILE H 1 62 ILE HB 1.800 . 3.340 2.570 2.447 2.649 . 0 0 "[ . 1 . 2]" 1
920 1 62 ILE H 1 62 ILE MD 1.800 . 4.700 2.745 1.823 3.828 . 0 0 "[ . 1 . 2]" 1
921 1 62 ILE H 1 62 ILE HG13 1.800 . 5.310 3.645 2.862 3.991 . 0 0 "[ . 1 . 2]" 1
922 1 62 ILE H 1 62 ILE HG12 1.800 . 5.310 3.372 2.251 4.404 . 0 0 "[ . 1 . 2]" 1
923 1 62 ILE H 1 62 ILE MG 1.800 . 4.400 3.829 3.779 3.860 . 0 0 "[ . 1 . 2]" 1
924 1 62 ILE H 1 63 THR H 1.800 . 5.080 4.430 4.379 4.498 . 0 0 "[ . 1 . 2]" 1
925 1 63 THR HA 1 63 THR MG 1.800 . 4.060 2.687 2.301 3.211 . 0 0 "[ . 1 . 2]" 1
926 1 63 THR HA 1 64 ARG H 1.800 . 3.120 2.184 2.121 2.345 . 0 0 "[ . 1 . 2]" 1
927 1 63 THR HB 1 64 ARG H 1.800 . 4.760 4.146 3.821 4.304 . 0 0 "[ . 1 . 2]" 1
928 1 63 THR HB 1 82 VAL MG2 1.800 . 4.830 3.273 2.277 3.980 . 0 0 "[ . 1 . 2]" 1
929 1 63 THR HG1 1 64 ARG H 1.800 . 4.470 2.838 1.771 3.655 0.029 9 0 "[ . 1 . 2]" 1
930 1 63 THR HG1 1 65 GLU QB 1.800 . 4.480 2.511 1.909 3.008 . 0 0 "[ . 1 . 2]" 1
931 1 63 THR HG1 1 65 GLU QG 1.800 . 4.300 3.326 2.671 3.978 . 0 0 "[ . 1 . 2]" 1
932 1 63 THR HG1 1 65 GLU H 1.800 . 3.880 2.293 1.788 3.955 0.075 9 0 "[ . 1 . 2]" 1
933 1 63 THR HG1 1 82 VAL HA 1.800 . 4.460 2.704 2.226 3.742 . 0 0 "[ . 1 . 2]" 1
934 1 63 THR HG1 1 82 VAL MG2 1.800 . 4.760 2.189 1.925 2.391 . 0 0 "[ . 1 . 2]" 1
935 1 63 THR MG 1 64 ARG H 1.800 . 4.530 3.169 1.774 4.092 0.026 9 0 "[ . 1 . 2]" 1
936 1 63 THR MG 1 65 GLU QB 1.800 . 4.480 2.941 2.220 4.160 . 0 0 "[ . 1 . 2]" 1
937 1 63 THR MG 1 65 GLU H 1.800 . 3.940 2.569 1.788 3.976 0.036 9 0 "[ . 1 . 2]" 1
938 1 63 THR MG 1 81 THR H 1.800 . 4.910 3.985 3.225 4.910 . 0 0 "[ . 1 . 2]" 1
939 1 63 THR MG 1 82 VAL HB 1.800 . 4.910 4.685 4.435 4.957 0.047 4 0 "[ . 1 . 2]" 1
940 1 63 THR MG 1 82 VAL MG2 1.800 . 3.280 2.314 2.056 2.568 . 0 0 "[ . 1 . 2]" 1
941 1 63 THR H 1 63 THR MG 1.800 . 4.300 3.128 1.906 3.867 . 0 0 "[ . 1 . 2]" 1
942 1 63 THR H 1 64 ARG H 1.800 . 4.860 4.347 4.303 4.431 . 0 0 "[ . 1 . 2]" 1
943 1 63 THR H 1 82 VAL MG2 1.800 . 5.890 5.119 4.702 5.499 . 0 0 "[ . 1 . 2]" 1
944 1 64 ARG HA 1 64 ARG QD 1.800 . 3.230 2.267 2.195 2.324 . 0 0 "[ . 1 . 2]" 1
945 1 64 ARG HA 1 64 ARG QG 1.800 . 3.540 2.632 2.415 2.816 . 0 0 "[ . 1 . 2]" 1
946 1 64 ARG HA 1 66 VAL MG2 1.800 . 4.160 3.586 2.840 4.173 0.013 6 0 "[ . 1 . 2]" 1
947 1 64 ARG HB3 1 64 ARG QD 1.800 . 3.850 2.906 2.244 3.522 . 0 0 "[ . 1 . 2]" 1
948 1 64 ARG HB3 1 65 GLU H 1.800 . 5.300 3.909 1.974 4.472 . 0 0 "[ . 1 . 2]" 1
949 1 64 ARG HB2 1 64 ARG QD 1.800 . 3.850 3.047 2.239 3.555 . 0 0 "[ . 1 . 2]" 1
950 1 64 ARG HB2 1 65 GLU H 1.800 . 5.300 3.786 1.814 4.618 . 0 0 "[ . 1 . 2]" 1
951 1 64 ARG H 1 64 ARG HB3 1.800 . 4.250 3.304 2.707 3.731 . 0 0 "[ . 1 . 2]" 1
952 1 64 ARG H 1 64 ARG HB2 1.800 . 4.250 2.517 2.383 2.636 . 0 0 "[ . 1 . 2]" 1
953 1 64 ARG H 1 64 ARG QD 1.800 . 5.080 4.132 3.927 4.395 . 0 0 "[ . 1 . 2]" 1
954 1 64 ARG H 1 64 ARG QG 1.800 . 4.600 3.163 2.386 4.140 . 0 0 "[ . 1 . 2]" 1
955 1 64 ARG H 1 65 GLU QG 1.800 . 4.510 3.588 3.286 4.538 0.028 19 0 "[ . 1 . 2]" 1
956 1 64 ARG H 1 65 GLU H 1.800 . 4.350 2.513 2.053 3.850 . 0 0 "[ . 1 . 2]" 1
957 1 65 GLU HA 1 65 GLU QG 1.800 . 3.740 2.569 2.273 2.846 . 0 0 "[ . 1 . 2]" 1
958 1 65 GLU HA 1 66 VAL H 1.800 . 3.300 2.440 2.298 3.388 0.088 5 0 "[ . 1 . 2]" 1
959 1 65 GLU HA 1 81 THR H 1.800 . 5.280 5.055 4.777 5.296 0.016 5 0 "[ . 1 . 2]" 1
960 1 65 GLU QB 1 81 THR HG1 1.800 . 4.690 3.574 3.169 4.123 . 0 0 "[ . 1 . 2]" 1
961 1 65 GLU HB3 1 81 THR H 1.800 . 4.660 3.505 2.909 3.929 . 0 0 "[ . 1 . 2]" 1
962 1 65 GLU HB2 1 81 THR H 1.800 . 4.660 3.549 2.778 3.987 . 0 0 "[ . 1 . 2]" 1
963 1 65 GLU QG 1 66 VAL H 1.800 . 5.270 4.543 3.658 4.800 . 0 0 "[ . 1 . 2]" 1
964 1 65 GLU QG 1 81 THR HB 1.800 . 5.000 4.328 2.881 4.916 . 0 0 "[ . 1 . 2]" 1
965 1 65 GLU QG 1 81 THR H 1.800 . 5.700 5.116 3.529 5.586 . 0 0 "[ . 1 . 2]" 1
966 1 65 GLU H 1 65 GLU QG 1.800 . 3.900 2.700 2.308 3.719 . 0 0 "[ . 1 . 2]" 1
967 1 65 GLU H 1 66 VAL MG2 1.800 . 4.490 3.507 2.531 4.137 . 0 0 "[ . 1 . 2]" 1
968 1 65 GLU H 1 66 VAL H 1.800 . 4.280 3.769 3.355 4.028 . 0 0 "[ . 1 . 2]" 1
969 1 66 VAL HA 1 66 VAL MG1 1.800 . 3.670 2.351 2.253 2.413 . 0 0 "[ . 1 . 2]" 1
970 1 66 VAL HA 1 66 VAL MG2 1.800 . 3.700 2.443 2.265 3.181 . 0 0 "[ . 1 . 2]" 1
971 1 66 VAL HA 1 67 LYS QG 1.800 . 5.030 3.747 3.619 3.974 . 0 0 "[ . 1 . 2]" 1
972 1 66 VAL HA 1 67 LYS H 1.800 . 2.970 2.177 2.143 2.215 . 0 0 "[ . 1 . 2]" 1
973 1 66 VAL HA 1 78 ILE MG 1.800 . 5.000 4.580 3.776 4.948 . 0 0 "[ . 1 . 2]" 1
974 1 66 VAL HA 1 80 ALA HA 1.800 . 3.640 2.325 2.252 2.574 . 0 0 "[ . 1 . 2]" 1
975 1 66 VAL HA 1 80 ALA MB 1.800 . 3.980 2.875 2.352 3.319 . 0 0 "[ . 1 . 2]" 1
976 1 66 VAL HA 1 81 THR H 1.800 . 4.410 3.386 2.983 3.990 . 0 0 "[ . 1 . 2]" 1
977 1 66 VAL HB 1 67 LYS H 1.800 . 4.550 4.055 3.209 4.240 . 0 0 "[ . 1 . 2]" 1
978 1 66 VAL HB 1 78 ILE MG 1.800 . 5.200 4.826 3.258 5.290 0.090 8 0 "[ . 1 . 2]" 1
979 1 66 VAL MG1 1 67 LYS H 1.800 . 3.860 2.698 2.406 3.753 . 0 0 "[ . 1 . 2]" 1
980 1 66 VAL MG1 1 78 ILE MD 1.800 . 5.000 4.218 3.627 5.131 0.131 17 0 "[ . 1 . 2]" 1
981 1 66 VAL MG1 1 78 ILE MG 1.800 . 3.670 2.752 2.329 3.706 0.036 17 0 "[ . 1 . 2]" 1
982 1 66 VAL MG1 1 80 ALA HA 1.800 . 4.200 3.395 2.955 3.919 . 0 0 "[ . 1 . 2]" 1
983 1 66 VAL MG1 1 80 ALA MB 1.800 . 3.080 2.661 2.196 3.023 . 0 0 "[ . 1 . 2]" 1
984 1 66 VAL MG1 1 80 ALA H 1.800 . 5.240 4.966 4.742 5.212 . 0 0 "[ . 1 . 2]" 1
985 1 66 VAL MG1 1 81 THR H 1.800 . 5.600 4.833 3.999 5.465 . 0 0 "[ . 1 . 2]" 1
986 1 66 VAL MG2 1 67 LYS H 1.800 . 4.910 3.943 3.818 4.238 . 0 0 "[ . 1 . 2]" 1
987 1 66 VAL MG2 1 81 THR H 1.800 . 5.820 4.177 3.511 5.707 . 0 0 "[ . 1 . 2]" 1
988 1 66 VAL H 1 66 VAL HB 1.800 . 4.150 2.821 2.537 3.728 . 0 0 "[ . 1 . 2]" 1
989 1 66 VAL H 1 66 VAL MG1 1.800 . 4.370 3.730 3.068 3.937 . 0 0 "[ . 1 . 2]" 1
990 1 66 VAL H 1 66 VAL MG2 1.800 . 3.330 2.749 1.974 3.000 . 0 0 "[ . 1 . 2]" 1
991 1 66 VAL H 1 67 LYS QG 1.800 . 4.720 3.967 3.816 4.211 . 0 0 "[ . 1 . 2]" 1
992 1 66 VAL H 1 67 LYS H 1.800 . 4.860 4.365 3.826 4.421 . 0 0 "[ . 1 . 2]" 1
993 1 67 LYS HA 1 67 LYS QE 1.800 . 4.800 4.415 3.932 4.852 0.052 9 0 "[ . 1 . 2]" 1
994 1 67 LYS HA 1 67 LYS QG 1.800 . 3.860 2.388 2.284 2.891 . 0 0 "[ . 1 . 2]" 1
995 1 67 LYS HA 1 68 GLY H 1.800 . 3.800 2.194 2.143 2.243 . 0 0 "[ . 1 . 2]" 1
996 1 67 LYS QB 1 67 LYS QE 1.800 . 3.800 3.131 2.147 3.815 0.015 10 0 "[ . 1 . 2]" 1
997 1 67 LYS HB3 1 67 LYS QD 1.800 . 3.420 2.436 2.258 2.838 . 0 0 "[ . 1 . 2]" 1
998 1 67 LYS HB3 1 68 GLY H 1.800 . 4.360 3.101 2.959 3.575 . 0 0 "[ . 1 . 2]" 1
999 1 67 LYS HB2 1 67 LYS QD 1.800 . 3.420 2.630 2.320 3.326 . 0 0 "[ . 1 . 2]" 1
1000 1 67 LYS HB2 1 68 GLY H 1.800 . 4.360 4.115 4.003 4.378 0.018 5 0 "[ . 1 . 2]" 1
1001 1 67 LYS QG 1 68 GLY H 1.800 . 4.440 4.043 3.890 4.582 0.142 17 0 "[ . 1 . 2]" 1
1002 1 67 LYS H 1 67 LYS QG 1.800 . 3.640 2.979 2.795 3.047 . 0 0 "[ . 1 . 2]" 1
1003 1 67 LYS H 1 78 ILE MG 1.800 . 3.890 3.705 3.243 3.975 0.085 16 0 "[ . 1 . 2]" 1
1004 1 67 LYS H 1 79 GLU H 1.800 . 4.300 3.762 3.114 4.278 . 0 0 "[ . 1 . 2]" 1
1005 1 67 LYS H 1 80 ALA HA 1.800 . 4.220 2.798 2.558 3.122 . 0 0 "[ . 1 . 2]" 1
1006 1 67 LYS H 1 80 ALA MB 1.800 . 5.120 3.746 3.188 4.199 . 0 0 "[ . 1 . 2]" 1
1007 1 68 GLY QA 1 78 ILE HA 1.800 . 4.810 2.339 2.254 2.639 . 0 0 "[ . 1 . 2]" 1
1008 1 68 GLY QA 1 78 ILE QG 1.800 . 5.890 2.525 2.229 2.851 . 0 0 "[ . 1 . 2]" 1
1009 1 68 GLY QA 1 79 GLU H 1.800 . 5.220 2.888 2.476 3.367 . 0 0 "[ . 1 . 2]" 1
1010 1 68 GLY HA3 1 69 LYS HA 1.800 . 5.180 4.607 4.558 4.669 . 0 0 "[ . 1 . 2]" 1
1011 1 68 GLY HA3 1 69 LYS H 1.800 . 3.700 3.083 2.934 3.219 . 0 0 "[ . 1 . 2]" 1
1012 1 68 GLY HA3 1 78 ILE MD 1.800 . 5.220 4.652 4.265 4.871 . 0 0 "[ . 1 . 2]" 1
1013 1 68 GLY HA3 1 78 ILE QG 1.800 . 5.100 3.359 2.996 3.555 . 0 0 "[ . 1 . 2]" 1
1014 1 68 GLY HA3 1 78 ILE MG 1.800 . 6.050 3.661 3.535 3.900 . 0 0 "[ . 1 . 2]" 1
1015 1 68 GLY HA2 1 69 LYS H 1.800 . 3.700 2.211 2.132 2.252 . 0 0 "[ . 1 . 2]" 1
1016 1 68 GLY HA2 1 78 ILE MD 1.800 . 5.220 4.127 3.860 4.429 . 0 0 "[ . 1 . 2]" 1
1017 1 68 GLY HA2 1 78 ILE QG 1.800 . 5.100 2.614 2.278 3.003 . 0 0 "[ . 1 . 2]" 1
1018 1 68 GLY HA2 1 78 ILE MG 1.800 . 6.050 2.342 2.273 2.541 . 0 0 "[ . 1 . 2]" 1
1019 1 68 GLY H 1 69 LYS H 1.800 . 4.890 4.567 4.475 4.614 . 0 0 "[ . 1 . 2]" 1
1020 1 68 GLY H 1 78 ILE QG 1.800 . 5.800 5.109 4.634 5.441 . 0 0 "[ . 1 . 2]" 1
1021 1 69 LYS HA 1 69 LYS QD 1.800 . 4.570 3.083 2.124 4.183 . 0 0 "[ . 1 . 2]" 1
1022 1 69 LYS HA 1 69 LYS HG3 1.800 . 4.360 3.250 2.506 3.779 . 0 0 "[ . 1 . 2]" 1
1023 1 69 LYS HA 1 69 LYS HG2 1.800 . 4.360 2.661 2.362 3.605 . 0 0 "[ . 1 . 2]" 1
1024 1 69 LYS HA 1 70 PHE H 1.800 . 3.050 2.155 2.107 2.207 . 0 0 "[ . 1 . 2]" 1
1025 1 69 LYS QB 1 76 THR H 1.800 . 5.170 4.647 3.765 5.040 . 0 0 "[ . 1 . 2]" 1
1026 1 69 LYS HB3 1 69 LYS QD 1.800 . 3.930 2.418 2.226 3.299 . 0 0 "[ . 1 . 2]" 1
1027 1 69 LYS HB3 1 69 LYS QE 1.800 . 5.380 3.809 2.124 4.200 . 0 0 "[ . 1 . 2]" 1
1028 1 69 LYS HB3 1 70 PHE H 1.800 . 4.990 3.635 3.281 4.060 . 0 0 "[ . 1 . 2]" 1
1029 1 69 LYS HB3 1 77 ALA H 1.800 . 4.750 4.386 3.239 4.774 0.024 13 0 "[ . 1 . 2]" 1
1030 1 69 LYS HB2 1 69 LYS QD 1.800 . 3.930 2.802 2.209 3.321 . 0 0 "[ . 1 . 2]" 1
1031 1 69 LYS HB2 1 69 LYS QE 1.800 . 5.380 4.031 2.655 4.527 . 0 0 "[ . 1 . 2]" 1
1032 1 69 LYS HB2 1 70 PHE H 1.800 . 4.990 4.384 4.229 4.573 . 0 0 "[ . 1 . 2]" 1
1033 1 69 LYS HB2 1 77 ALA H 1.800 . 4.750 3.660 2.619 4.822 0.072 19 0 "[ . 1 . 2]" 1
1034 1 69 LYS QE 1 79 GLU QB 1.800 . 5.800 2.356 1.987 3.899 . 0 0 "[ . 1 . 2]" 1
1035 1 69 LYS QE 1 79 GLU H 1.800 . 4.880 4.501 3.904 5.096 0.216 3 0 "[ . 1 . 2]" 1
1036 1 69 LYS QG 1 78 ILE HA 1.800 . 4.730 3.403 2.308 4.572 . 0 0 "[ . 1 . 2]" 1
1037 1 69 LYS QG 1 79 GLU HB3 1.800 . 4.470 3.059 2.637 4.298 . 0 0 "[ . 1 . 2]" 1
1038 1 69 LYS QG 1 79 GLU HB2 1.800 . 4.470 2.806 2.168 4.008 . 0 0 "[ . 1 . 2]" 1
1039 1 69 LYS QG 1 79 GLU H 1.800 . 4.260 3.282 2.598 4.385 0.125 19 0 "[ . 1 . 2]" 1
1040 1 69 LYS H 1 69 LYS HB3 1.800 . 4.030 3.624 2.872 3.713 . 0 0 "[ . 1 . 2]" 1
1041 1 69 LYS H 1 69 LYS HB2 1.800 . 4.030 2.448 2.272 2.629 . 0 0 "[ . 1 . 2]" 1
1042 1 69 LYS H 1 69 LYS QG 1.800 . 4.000 2.825 2.168 4.171 0.171 19 0 "[ . 1 . 2]" 1
1043 1 69 LYS H 1 70 PHE H 1.800 . 4.800 4.310 4.134 4.478 . 0 0 "[ . 1 . 2]" 1
1044 1 69 LYS H 1 77 ALA H 1.800 . 4.800 4.174 3.767 4.361 . 0 0 "[ . 1 . 2]" 1
1045 1 69 LYS H 1 78 ILE HA 1.800 . 4.300 2.036 1.857 2.195 . 0 0 "[ . 1 . 2]" 1
1046 1 69 LYS H 1 78 ILE MD 1.800 . 5.930 4.830 4.506 5.118 . 0 0 "[ . 1 . 2]" 1
1047 1 69 LYS H 1 78 ILE QG 1.800 . 5.370 3.154 2.798 3.476 . 0 0 "[ . 1 . 2]" 1
1048 1 69 LYS H 1 78 ILE MG 1.800 . 5.360 3.690 3.390 3.833 . 0 0 "[ . 1 . 2]" 1
1049 1 69 LYS H 1 79 GLU H 1.800 . 4.950 3.505 3.204 3.962 . 0 0 "[ . 1 . 2]" 1
1050 1 70 PHE HA 1 70 PHE QD 1.800 . 5.010 2.878 2.688 3.137 . 0 0 "[ . 1 . 2]" 1
1051 1 70 PHE HA 1 71 ILE H 1.800 . 3.330 2.199 2.120 2.284 . 0 0 "[ . 1 . 2]" 1
1052 1 70 PHE HA 1 75 PRO HA 1.800 . 3.690 2.471 2.274 2.750 . 0 0 "[ . 1 . 2]" 1
1053 1 70 PHE HA 1 75 PRO QB 1.800 . 4.860 4.191 3.161 4.692 . 0 0 "[ . 1 . 2]" 1
1054 1 70 PHE HA 1 76 THR H 1.800 . 4.370 3.085 2.598 3.593 . 0 0 "[ . 1 . 2]" 1
1055 1 70 PHE QD 1 74 ARG HA 1.800 . 5.060 4.042 3.022 5.145 0.085 16 0 "[ . 1 . 2]" 1
1056 1 70 PHE QD 1 75 PRO HA 1.800 . 5.170 2.703 2.315 4.148 . 0 0 "[ . 1 . 2]" 1
1057 1 70 PHE QD 1 75 PRO QD 1.800 . 5.330 2.738 2.334 2.979 . 0 0 "[ . 1 . 2]" 1
1058 1 70 PHE QE 1 75 PRO QB 1.800 . 5.330 3.064 2.326 4.147 . 0 0 "[ . 1 . 2]" 1
1059 1 70 PHE QE 1 75 PRO HD3 1.800 . 5.360 3.683 2.323 4.348 . 0 0 "[ . 1 . 2]" 1
1060 1 70 PHE QE 1 75 PRO HD2 1.800 . 5.360 4.947 3.977 5.256 . 0 0 "[ . 1 . 2]" 1
1061 1 70 PHE QE 1 75 PRO QG 1.800 . 4.870 2.642 2.284 3.543 . 0 0 "[ . 1 . 2]" 1
1062 1 70 PHE H 1 70 PHE HB3 1.800 . 3.990 3.685 3.611 3.742 . 0 0 "[ . 1 . 2]" 1
1063 1 70 PHE H 1 70 PHE HB2 1.800 . 3.990 2.509 2.335 2.668 . 0 0 "[ . 1 . 2]" 1
1064 1 70 PHE H 1 70 PHE QD 1.800 . 4.600 2.363 1.860 2.662 . 0 0 "[ . 1 . 2]" 1
1065 1 70 PHE H 1 71 ILE H 1.800 . 4.960 4.504 4.359 4.595 . 0 0 "[ . 1 . 2]" 1
1066 1 71 ILE HA 1 71 ILE MD 1.800 . 3.930 3.357 2.083 3.835 . 0 0 "[ . 1 . 2]" 1
1067 1 71 ILE HA 1 71 ILE HG13 1.800 . 4.380 3.081 2.394 3.760 . 0 0 "[ . 1 . 2]" 1
1068 1 71 ILE HA 1 71 ILE HG12 1.800 . 4.380 2.709 2.502 3.637 . 0 0 "[ . 1 . 2]" 1
1069 1 71 ILE HA 1 71 ILE MG 1.800 . 3.560 2.341 2.292 2.392 . 0 0 "[ . 1 . 2]" 1
1070 1 71 ILE HB 1 71 ILE MD 1.800 . 3.640 2.505 2.224 3.235 . 0 0 "[ . 1 . 2]" 1
1071 1 71 ILE HB 1 74 ARG H 1.800 . 4.800 4.258 3.575 4.815 0.015 19 0 "[ . 1 . 2]" 1
1072 1 71 ILE HB 1 76 THR HB 1.800 . 4.910 3.181 2.314 4.470 . 0 0 "[ . 1 . 2]" 1
1073 1 71 ILE MD 1 72 ASN QD 1.800 . 5.570 5.141 4.339 5.608 0.038 16 0 "[ . 1 . 2]" 1
1074 1 71 ILE MD 1 76 THR HB 1.800 . 4.760 2.683 2.078 4.864 0.104 3 0 "[ . 1 . 2]" 1
1075 1 71 ILE MD 1 76 THR MG 1.800 . 3.800 3.030 2.176 4.029 0.229 12 0 "[ . 1 . 2]" 1
1076 1 71 ILE HG13 1 76 THR HB 1.800 . 4.980 3.238 2.342 4.425 . 0 0 "[ . 1 . 2]" 1
1077 1 71 ILE HG12 1 76 THR HB 1.800 . 4.980 4.043 2.299 4.910 . 0 0 "[ . 1 . 2]" 1
1078 1 71 ILE QG 1 71 ILE MG 1.800 . 3.520 2.285 2.079 2.437 . 0 0 "[ . 1 . 2]" 1
1079 1 71 ILE MG 1 72 ASN HA 1.800 . 4.960 4.029 3.700 4.374 . 0 0 "[ . 1 . 2]" 1
1080 1 71 ILE MG 1 72 ASN QB 1.800 . 4.200 3.105 2.423 3.952 . 0 0 "[ . 1 . 2]" 1
1081 1 71 ILE MG 1 72 ASN QD 1.800 . 3.750 2.756 1.871 3.394 . 0 0 "[ . 1 . 2]" 1
1082 1 71 ILE MG 1 72 ASN HD21 1.800 . 4.310 3.130 1.896 4.324 0.014 3 0 "[ . 1 . 2]" 1
1083 1 71 ILE MG 1 72 ASN HD22 1.800 . 4.310 3.293 2.628 4.356 0.046 10 0 "[ . 1 . 2]" 1
1084 1 71 ILE MG 1 72 ASN H 1.800 . 5.180 2.553 2.162 3.110 . 0 0 "[ . 1 . 2]" 1
1085 1 71 ILE MG 1 74 ARG H 1.800 . 4.880 4.488 3.953 4.892 0.012 20 0 "[ . 1 . 2]" 1
1086 1 71 ILE MG 1 76 THR HB 1.800 . 4.740 4.239 3.622 4.847 0.107 3 0 "[ . 1 . 2]" 1
1087 1 71 ILE H 1 71 ILE HB 1.800 . 3.830 2.588 2.504 2.739 . 0 0 "[ . 1 . 2]" 1
1088 1 71 ILE H 1 71 ILE MD 1.800 . 5.040 3.774 1.936 4.157 . 0 0 "[ . 1 . 2]" 1
1089 1 71 ILE H 1 71 ILE HG13 1.800 . 4.690 3.218 2.784 4.222 . 0 0 "[ . 1 . 2]" 1
1090 1 71 ILE H 1 71 ILE HG12 1.800 . 4.690 3.750 2.657 4.171 . 0 0 "[ . 1 . 2]" 1
1091 1 71 ILE H 1 71 ILE MG 1.800 . 4.490 3.837 3.798 3.892 . 0 0 "[ . 1 . 2]" 1
1092 1 71 ILE H 1 74 ARG H 1.800 . 4.570 3.320 2.704 4.584 0.014 16 0 "[ . 1 . 2]" 1
1093 1 71 ILE H 1 75 PRO HA 1.800 . 4.680 3.432 2.642 3.809 . 0 0 "[ . 1 . 2]" 1
1094 1 71 ILE H 1 76 THR H 1.800 . 4.510 3.479 2.590 4.086 . 0 0 "[ . 1 . 2]" 1
1095 1 72 ASN HA 1 72 ASN QD 1.800 . 5.270 3.399 1.752 4.333 0.048 17 0 "[ . 1 . 2]" 1
1096 1 72 ASN HA 1 73 GLY H 1.800 . 3.810 2.798 2.219 3.306 . 0 0 "[ . 1 . 2]" 1
1097 1 72 ASN HA 1 74 ARG H 1.800 . 4.800 4.549 4.153 4.865 0.065 20 0 "[ . 1 . 2]" 1
1098 1 73 GLY H 1 74 ARG H 1.800 . 4.480 2.671 2.277 3.172 . 0 0 "[ . 1 . 2]" 1
1099 1 74 ARG HA 1 74 ARG HG3 1.800 . 4.280 3.266 2.352 3.767 . 0 0 "[ . 1 . 2]" 1
1100 1 74 ARG HA 1 74 ARG HG2 1.800 . 4.280 3.443 2.691 3.738 . 0 0 "[ . 1 . 2]" 1
1101 1 74 ARG HA 1 75 PRO HD3 1.800 . 3.420 2.289 2.096 2.435 . 0 0 "[ . 1 . 2]" 1
1102 1 74 ARG HA 1 75 PRO HD2 1.800 . 3.420 2.433 2.201 3.026 . 0 0 "[ . 1 . 2]" 1
1103 1 74 ARG HB3 1 74 ARG QD 1.800 . 4.640 2.666 2.277 3.545 . 0 0 "[ . 1 . 2]" 1
1104 1 74 ARG HB2 1 74 ARG QD 1.800 . 4.640 2.545 2.256 2.838 . 0 0 "[ . 1 . 2]" 1
1105 1 74 ARG QG 1 75 PRO QD 1.800 . 4.330 3.326 2.032 4.002 . 0 0 "[ . 1 . 2]" 1
1106 1 74 ARG QG 1 76 THR HA 1.800 . 5.080 4.878 4.363 5.219 0.139 17 0 "[ . 1 . 2]" 1
1107 1 74 ARG HG3 1 75 PRO QD 1.800 . 4.770 3.566 2.266 4.300 . 0 0 "[ . 1 . 2]" 1
1108 1 74 ARG HG2 1 75 PRO QD 1.800 . 4.770 4.064 2.296 4.767 . 0 0 "[ . 1 . 2]" 1
1109 1 74 ARG H 1 74 ARG QB 1.800 . 3.470 3.035 2.533 3.453 . 0 0 "[ . 1 . 2]" 1
1110 1 74 ARG H 1 74 ARG HG3 1.800 . 4.820 3.619 2.658 4.777 . 0 0 "[ . 1 . 2]" 1
1111 1 74 ARG H 1 74 ARG HG2 1.800 . 4.820 3.330 1.959 4.886 0.066 1 0 "[ . 1 . 2]" 1
1112 1 75 PRO HA 1 76 THR H 1.800 . 3.270 2.232 2.183 2.327 . 0 0 "[ . 1 . 2]" 1
1113 1 75 PRO HA 1 77 ALA H 1.800 . 5.070 3.704 3.286 4.036 . 0 0 "[ . 1 . 2]" 1
1114 1 75 PRO QB 1 76 THR H 1.800 . 4.530 3.389 3.084 3.855 . 0 0 "[ . 1 . 2]" 1
1115 1 76 THR HA 1 76 THR MG 1.800 . 3.580 2.282 2.221 2.472 . 0 0 "[ . 1 . 2]" 1
1116 1 76 THR HA 1 77 ALA H 1.800 . 3.600 3.525 3.417 3.590 . 0 0 "[ . 1 . 2]" 1
1117 1 76 THR HB 1 77 ALA H 1.800 . 4.760 2.965 2.562 3.660 . 0 0 "[ . 1 . 2]" 1
1118 1 76 THR MG 1 77 ALA H 1.800 . 4.050 3.877 3.473 4.152 0.102 13 0 "[ . 1 . 2]" 1
1119 1 76 THR H 1 76 THR MG 1.800 . 4.300 3.882 2.870 4.041 . 0 0 "[ . 1 . 2]" 1
1120 1 76 THR H 1 77 ALA H 1.800 . 4.800 1.898 1.711 2.114 0.089 10 0 "[ . 1 . 2]" 1
1121 1 77 ALA HA 1 78 ILE H 1.800 . 3.480 2.343 2.250 2.497 . 0 0 "[ . 1 . 2]" 1
1122 1 77 ALA MB 1 78 ILE H 1.800 . 3.490 2.491 2.227 2.663 . 0 0 "[ . 1 . 2]" 1
1123 1 77 ALA H 1 77 ALA MB 1.800 . 3.440 2.656 2.504 2.755 . 0 0 "[ . 1 . 2]" 1
1124 1 77 ALA H 1 78 ILE H 1.800 . 5.210 4.427 4.407 4.463 . 0 0 "[ . 1 . 2]" 1
1125 1 78 ILE HA 1 78 ILE MD 1.800 . 4.250 3.818 3.789 3.832 . 0 0 "[ . 1 . 2]" 1
1126 1 78 ILE HA 1 79 GLU H 1.800 . 3.130 2.285 2.141 2.445 . 0 0 "[ . 1 . 2]" 1
1127 1 78 ILE HB 1 78 ILE MD 1.800 . 3.690 2.297 2.243 2.385 . 0 0 "[ . 1 . 2]" 1
1128 1 78 ILE HB 1 79 GLU H 1.800 . 4.950 3.958 3.697 4.257 . 0 0 "[ . 1 . 2]" 1
1129 1 78 ILE MD 1 79 GLU H 1.800 . 5.310 4.803 4.551 5.148 . 0 0 "[ . 1 . 2]" 1
1130 1 78 ILE HG13 1 79 GLU H 1.800 . 5.430 4.841 4.755 4.951 . 0 0 "[ . 1 . 2]" 1
1131 1 78 ILE HG12 1 79 GLU H 1.800 . 5.430 4.141 3.992 4.378 . 0 0 "[ . 1 . 2]" 1
1132 1 78 ILE MD 1 78 ILE MG 1.800 . 3.000 1.877 1.806 1.951 . 0 0 "[ . 1 . 2]" 1
1133 1 78 ILE HG13 1 78 ILE MG 1.800 . 3.730 3.195 3.189 3.207 . 0 0 "[ . 1 . 2]" 1
1134 1 78 ILE HG12 1 78 ILE MG 1.800 . 3.730 2.342 2.319 2.375 . 0 0 "[ . 1 . 2]" 1
1135 1 78 ILE MG 1 79 GLU HA 1.800 . 4.250 3.558 3.405 3.834 . 0 0 "[ . 1 . 2]" 1
1136 1 78 ILE MG 1 79 GLU QB 1.800 . 5.360 4.005 3.803 4.407 . 0 0 "[ . 1 . 2]" 1
1137 1 78 ILE MG 1 79 GLU H 1.800 . 3.450 2.156 1.792 2.639 0.008 2 0 "[ . 1 . 2]" 1
1138 1 78 ILE MG 1 80 ALA HA 1.800 . 4.700 4.606 4.460 4.788 0.088 20 0 "[ . 1 . 2]" 1
1139 1 78 ILE MG 1 80 ALA MB 1.800 . 3.990 3.519 3.245 3.810 . 0 0 "[ . 1 . 2]" 1
1140 1 78 ILE MG 1 80 ALA H 1.800 . 4.920 4.489 4.326 4.763 . 0 0 "[ . 1 . 2]" 1
1141 1 78 ILE H 1 78 ILE HB 1.800 . 3.880 2.659 2.603 2.717 . 0 0 "[ . 1 . 2]" 1
1142 1 78 ILE H 1 78 ILE MD 1.800 . 5.300 4.009 3.909 4.094 . 0 0 "[ . 1 . 2]" 1
1143 1 78 ILE H 1 78 ILE HG13 1.800 . 5.150 3.050 2.958 3.209 . 0 0 "[ . 1 . 2]" 1
1144 1 78 ILE H 1 78 ILE HG12 1.800 . 5.150 4.218 4.164 4.351 . 0 0 "[ . 1 . 2]" 1
1145 1 78 ILE H 1 78 ILE MG 1.800 . 4.360 3.855 3.832 3.880 . 0 0 "[ . 1 . 2]" 1
1146 1 78 ILE H 1 79 GLU H 1.800 . 5.180 4.428 4.269 4.493 . 0 0 "[ . 1 . 2]" 1
1147 1 79 GLU HA 1 80 ALA H 1.800 . 3.320 2.276 2.218 2.355 . 0 0 "[ . 1 . 2]" 1
1148 1 79 GLU QG 1 80 ALA HA 1.800 . 4.860 3.739 3.434 4.629 . 0 0 "[ . 1 . 2]" 1
1149 1 79 GLU QG 1 80 ALA H 1.800 . 4.390 2.307 2.011 3.925 . 0 0 "[ . 1 . 2]" 1
1150 1 79 GLU H 1 79 GLU HB3 1.800 . 4.030 2.739 2.552 3.032 . 0 0 "[ . 1 . 2]" 1
1151 1 79 GLU H 1 79 GLU HB2 1.800 . 4.030 3.151 2.918 3.851 . 0 0 "[ . 1 . 2]" 1
1152 1 79 GLU H 1 79 GLU QG 1.800 . 4.620 4.030 2.142 4.331 . 0 0 "[ . 1 . 2]" 1
1153 1 79 GLU H 1 80 ALA H 1.800 . 4.810 4.462 4.400 4.543 . 0 0 "[ . 1 . 2]" 1
1154 1 80 ALA HA 1 81 THR HB 1.800 . 5.580 4.560 4.222 4.702 . 0 0 "[ . 1 . 2]" 1
1155 1 80 ALA HA 1 81 THR H 1.800 . 3.110 2.258 2.170 2.312 . 0 0 "[ . 1 . 2]" 1
1156 1 80 ALA MB 1 81 THR HA 1.800 . 4.600 4.112 4.078 4.172 . 0 0 "[ . 1 . 2]" 1
1157 1 80 ALA MB 1 81 THR H 1.800 . 3.560 2.785 2.529 2.895 . 0 0 "[ . 1 . 2]" 1
1158 1 81 THR HA 1 81 THR MG 1.800 . 3.580 2.313 2.265 2.364 . 0 0 "[ . 1 . 2]" 1
1159 1 81 THR HA 1 82 VAL HB 1.800 . 4.910 4.493 4.425 4.603 . 0 0 "[ . 1 . 2]" 1
1160 1 81 THR HA 1 82 VAL MG2 1.800 . 4.920 3.716 3.536 3.814 . 0 0 "[ . 1 . 2]" 1
1161 1 81 THR HA 1 82 VAL H 1.800 . 3.330 2.173 2.128 2.205 . 0 0 "[ . 1 . 2]" 1
1162 1 81 THR HB 1 83 ILE MD 1.800 . 5.320 3.850 2.840 4.208 . 0 0 "[ . 1 . 2]" 1
1163 1 81 THR MG 1 82 VAL HA 1.800 . 4.830 3.812 3.670 3.974 . 0 0 "[ . 1 . 2]" 1
1164 1 81 THR MG 1 82 VAL MG2 1.800 . 4.950 4.367 4.285 4.444 . 0 0 "[ . 1 . 2]" 1
1165 1 81 THR MG 1 82 VAL H 1.800 . 3.850 2.602 2.505 2.694 . 0 0 "[ . 1 . 2]" 1
1166 1 81 THR MG 1 83 ILE MD 1.800 . 3.490 2.241 2.138 2.634 . 0 0 "[ . 1 . 2]" 1
1167 1 81 THR MG 1 83 ILE H 1.800 . 5.310 4.228 4.070 4.356 . 0 0 "[ . 1 . 2]" 1
1168 1 81 THR H 1 81 THR HB 1.800 . 3.650 2.629 2.492 2.751 . 0 0 "[ . 1 . 2]" 1
1169 1 81 THR H 1 81 THR HG1 1.800 . 4.850 3.095 2.610 3.566 . 0 0 "[ . 1 . 2]" 1
1170 1 81 THR H 1 81 THR MG 1.800 . 4.540 3.857 3.779 3.910 . 0 0 "[ . 1 . 2]" 1
1171 1 81 THR H 1 82 VAL MG2 1.800 . 5.250 4.229 3.864 4.438 . 0 0 "[ . 1 . 2]" 1
1172 1 81 THR H 1 82 VAL H 1.800 . 4.850 4.385 4.314 4.426 . 0 0 "[ . 1 . 2]" 1
1173 1 82 VAL HA 1 82 VAL MG1 1.800 . 3.620 2.381 2.314 2.432 . 0 0 "[ . 1 . 2]" 1
1174 1 82 VAL HA 1 82 VAL MG2 1.800 . 3.550 2.310 2.243 2.379 . 0 0 "[ . 1 . 2]" 1
1175 1 82 VAL HA 1 83 ILE H 1.800 . 3.220 2.165 2.128 2.197 . 0 0 "[ . 1 . 2]" 1
1176 1 82 VAL HB 1 83 ILE H 1.800 . 5.020 4.248 4.197 4.337 . 0 0 "[ . 1 . 2]" 1
1177 1 82 VAL HB 1 84 LEU MD2 1.800 . 5.090 3.875 3.430 4.547 . 0 0 "[ . 1 . 2]" 1
1178 1 82 VAL MG1 1 83 ILE H 1.800 . 3.790 2.603 2.493 3.032 . 0 0 "[ . 1 . 2]" 1
1179 1 82 VAL MG1 1 84 LEU MD1 1.800 . 3.860 3.495 2.768 3.923 0.063 6 0 "[ . 1 . 2]" 1
1180 1 82 VAL MG1 1 84 LEU MD2 1.800 . 3.260 2.192 2.041 3.290 0.030 7 0 "[ . 1 . 2]" 1
1181 1 82 VAL MG1 1 84 LEU HG 1.800 . 5.170 2.842 2.397 3.181 . 0 0 "[ . 1 . 2]" 1
1182 1 82 VAL MG1 1 93 PHE QB 1.800 . 5.600 4.514 4.072 5.628 0.028 7 0 "[ . 1 . 2]" 1
1183 1 82 VAL MG1 1 93 PHE QD 1.800 . 4.570 3.526 2.847 4.546 . 0 0 "[ . 1 . 2]" 1
1184 1 82 VAL MG2 1 83 ILE H 1.800 . 4.620 3.916 3.817 4.128 . 0 0 "[ . 1 . 2]" 1
1185 1 82 VAL H 1 82 VAL HB 1.800 . 3.860 2.494 2.428 2.646 . 0 0 "[ . 1 . 2]" 1
1186 1 82 VAL H 1 82 VAL MG1 1.800 . 4.940 3.788 3.752 3.862 . 0 0 "[ . 1 . 2]" 1
1187 1 82 VAL H 1 82 VAL MG2 1.800 . 3.810 2.767 2.471 2.920 . 0 0 "[ . 1 . 2]" 1
1188 1 82 VAL H 1 83 ILE MD 1.800 . 4.720 4.013 3.661 4.512 . 0 0 "[ . 1 . 2]" 1
1189 1 82 VAL H 1 83 ILE H 1.800 . 5.290 4.414 4.276 4.451 . 0 0 "[ . 1 . 2]" 1
1190 1 83 ILE HA 1 83 ILE MD 1.800 . 3.650 2.185 2.072 2.696 . 0 0 "[ . 1 . 2]" 1
1191 1 83 ILE HA 1 83 ILE MG 1.800 . 3.510 2.340 2.250 2.526 . 0 0 "[ . 1 . 2]" 1
1192 1 83 ILE HA 1 84 LEU MD2 1.800 . 5.820 4.429 4.294 5.367 . 0 0 "[ . 1 . 2]" 1
1193 1 83 ILE HA 1 84 LEU H 1.800 . 3.360 2.159 2.121 2.182 . 0 0 "[ . 1 . 2]" 1
1194 1 83 ILE HB 1 83 ILE MD 1.800 . 3.690 2.996 2.267 3.216 . 0 0 "[ . 1 . 2]" 1
1195 1 83 ILE HB 1 84 LEU H 1.800 . 5.190 4.190 4.057 4.366 . 0 0 "[ . 1 . 2]" 1
1196 1 83 ILE MD 1 84 LEU H 1.800 . 4.510 3.895 3.684 4.535 0.025 7 0 "[ . 1 . 2]" 1
1197 1 83 ILE MD 1 85 ASN HD22 1.800 . 5.370 4.554 3.781 5.470 0.100 7 0 "[ . 1 . 2]" 1
1198 1 83 ILE QG 1 84 LEU H 1.800 . 5.590 4.591 3.971 4.820 . 0 0 "[ . 1 . 2]" 1
1199 1 83 ILE HG13 1 83 ILE MG 1.800 . 3.590 2.329 2.248 2.454 . 0 0 "[ . 1 . 2]" 1
1200 1 83 ILE HG12 1 83 ILE MG 1.800 . 3.590 2.980 2.261 3.200 . 0 0 "[ . 1 . 2]" 1
1201 1 83 ILE MG 1 84 LEU H 1.800 . 3.740 2.736 2.618 2.906 . 0 0 "[ . 1 . 2]" 1
1202 1 83 ILE MG 1 85 ASN HA 1.800 . 5.170 3.851 3.459 4.738 . 0 0 "[ . 1 . 2]" 1
1203 1 83 ILE MG 1 85 ASN QB 1.800 . 4.410 3.041 2.265 4.080 . 0 0 "[ . 1 . 2]" 1
1204 1 83 ILE MG 1 85 ASN HD21 1.800 . 4.300 2.830 2.156 4.063 . 0 0 "[ . 1 . 2]" 1
1205 1 83 ILE MG 1 85 ASN HD22 1.800 . 4.110 2.421 1.805 3.540 . 0 0 "[ . 1 . 2]" 1
1206 1 83 ILE MG 1 85 ASN H 1.800 . 4.470 2.446 1.760 4.031 0.040 16 0 "[ . 1 . 2]" 1
1207 1 83 ILE H 1 83 ILE HB 1.800 . 3.540 2.530 2.263 2.674 . 0 0 "[ . 1 . 2]" 1
1208 1 83 ILE H 1 83 ILE MD 1.800 . 4.250 2.716 1.876 3.237 . 0 0 "[ . 1 . 2]" 1
1209 1 83 ILE H 1 83 ILE HG13 1.800 . 4.130 3.744 3.557 4.000 . 0 0 "[ . 1 . 2]" 1
1210 1 83 ILE H 1 83 ILE HG12 1.800 . 4.130 2.601 2.003 4.002 . 0 0 "[ . 1 . 2]" 1
1211 1 83 ILE H 1 83 ILE MG 1.800 . 4.410 3.781 3.689 3.829 . 0 0 "[ . 1 . 2]" 1
1212 1 84 LEU HA 1 84 LEU MD1 1.800 . 4.710 3.819 3.504 3.875 . 0 0 "[ . 1 . 2]" 1
1213 1 84 LEU HA 1 84 LEU MD2 1.800 . 3.860 2.195 2.103 3.441 . 0 0 "[ . 1 . 2]" 1
1214 1 84 LEU HA 1 85 ASN H 1.800 . 3.270 2.687 2.160 3.512 0.242 17 0 "[ . 1 . 2]" 1
1215 1 84 LEU HA 1 86 SER H 1.800 . 4.350 3.525 3.031 4.152 . 0 0 "[ . 1 . 2]" 1
1216 1 84 LEU QB 1 84 LEU MD1 1.800 . 4.370 2.113 2.099 2.185 . 0 0 "[ . 1 . 2]" 1
1217 1 84 LEU QB 1 86 SER H 1.800 . 5.150 4.348 2.686 4.918 . 0 0 "[ . 1 . 2]" 1
1218 1 84 LEU HB3 1 84 LEU MD2 1.800 . 4.370 2.276 2.219 2.300 . 0 0 "[ . 1 . 2]" 1
1219 1 84 LEU HB2 1 84 LEU MD2 1.800 . 4.370 3.184 2.709 3.217 . 0 0 "[ . 1 . 2]" 1
1220 1 84 LEU MD1 1 90 TRP HA 1.800 . 4.650 3.114 2.292 4.646 . 0 0 "[ . 1 . 2]" 1
1221 1 84 LEU MD1 1 90 TRP HZ2 1.800 . 6.050 2.996 2.561 3.392 . 0 0 "[ . 1 . 2]" 1
1222 1 84 LEU MD1 1 90 TRP HZ3 1.800 . 5.410 3.431 2.910 5.153 . 0 0 "[ . 1 . 2]" 1
1223 1 84 LEU MD1 1 93 PHE QB 1.800 . 5.210 2.971 2.173 4.770 . 0 0 "[ . 1 . 2]" 1
1224 1 84 LEU MD1 1 93 PHE QD 1.800 . 5.220 3.031 2.476 4.493 . 0 0 "[ . 1 . 2]" 1
1225 1 84 LEU MD2 1 85 ASN H 1.800 . 4.910 4.313 3.787 5.009 0.099 7 0 "[ . 1 . 2]" 1
1226 1 84 LEU MD2 1 86 SER H 1.800 . 5.200 4.822 4.146 5.117 . 0 0 "[ . 1 . 2]" 1
1227 1 84 LEU MD2 1 89 GLU HA 1.800 . 4.700 4.312 3.863 4.756 0.056 19 0 "[ . 1 . 2]" 1
1228 1 84 LEU MD2 1 89 GLU QB 1.800 . 4.320 2.510 2.135 3.329 . 0 0 "[ . 1 . 2]" 1
1229 1 84 LEU MD2 1 89 GLU QG 1.800 . 5.500 3.244 1.913 4.408 . 0 0 "[ . 1 . 2]" 1
1230 1 84 LEU MD2 1 89 GLU H 1.800 . 5.600 5.088 4.667 5.609 0.009 19 0 "[ . 1 . 2]" 1
1231 1 84 LEU MD2 1 90 TRP HA 1.800 . 4.390 3.285 2.664 4.034 . 0 0 "[ . 1 . 2]" 1
1232 1 84 LEU MD2 1 93 PHE QB 1.800 . 4.020 2.617 2.142 3.305 . 0 0 "[ . 1 . 2]" 1
1233 1 84 LEU MD2 1 93 PHE QD 1.800 . 4.730 2.791 2.276 3.590 . 0 0 "[ . 1 . 2]" 1
1234 1 84 LEU MD2 1 93 PHE H 1.800 . 4.880 4.344 3.891 4.912 0.032 9 0 "[ . 1 . 2]" 1
1235 1 84 LEU H 1 84 LEU MD1 1.800 . 4.980 3.728 1.806 3.943 . 0 0 "[ . 1 . 2]" 1
1236 1 84 LEU H 1 84 LEU MD2 1.800 . 4.460 3.600 3.396 4.116 . 0 0 "[ . 1 . 2]" 1
1237 1 84 LEU H 1 84 LEU HG 1.800 . 4.390 2.595 2.279 3.070 . 0 0 "[ . 1 . 2]" 1
1238 1 84 LEU H 1 85 ASN H 1.800 . 5.120 3.174 2.590 4.267 . 0 0 "[ . 1 . 2]" 1
1239 1 85 ASN QB 1 85 ASN HD22 1.800 . 3.830 3.441 3.270 3.549 . 0 0 "[ . 1 . 2]" 1
1240 1 85 ASN QB 1 86 SER H 1.800 . 3.960 2.785 2.302 3.824 . 0 0 "[ . 1 . 2]" 1
1241 1 85 ASN H 1 85 ASN QB 1.800 . 3.370 2.400 2.279 3.391 0.021 17 0 "[ . 1 . 2]" 1
1242 1 85 ASN H 1 85 ASN HD21 1.800 . 4.530 3.421 1.931 4.229 . 0 0 "[ . 1 . 2]" 1
1243 1 85 ASN H 1 86 SER H 1.800 . 3.440 2.600 2.291 2.749 . 0 0 "[ . 1 . 2]" 1
1244 1 86 SER QB 1 87 GLN H 1.800 . 4.360 3.006 2.652 3.656 . 0 0 "[ . 1 . 2]" 1
1245 1 86 SER QB 1 89 GLU QB 1.800 . 4.650 2.619 2.064 3.325 . 0 0 "[ . 1 . 2]" 1
1246 1 86 SER QB 1 89 GLU QG 1.800 . 4.600 2.900 2.043 4.635 0.035 4 0 "[ . 1 . 2]" 1
1247 1 86 SER QB 1 89 GLU H 1.800 . 3.970 2.723 2.475 3.501 . 0 0 "[ . 1 . 2]" 1
1248 1 86 SER H 1 89 GLU QB 1.800 . 3.800 3.436 3.096 3.768 . 0 0 "[ . 1 . 2]" 1
1249 1 86 SER H 1 89 GLU QG 1.800 . 4.600 4.098 3.292 4.692 0.092 17 0 "[ . 1 . 2]" 1
1250 1 87 GLN HA 1 87 GLN QG 1.800 . 3.850 2.526 2.168 3.332 . 0 0 "[ . 1 . 2]" 1
1251 1 87 GLN HA 1 90 TRP H 1.800 . 4.270 3.503 3.358 3.694 . 0 0 "[ . 1 . 2]" 1
1252 1 87 GLN QB 1 88 PRO QD 1.800 . 3.490 2.094 1.942 2.256 . 0 0 "[ . 1 . 2]" 1
1253 1 87 GLN QG 1 88 PRO QD 1.800 . 4.190 3.507 2.271 3.955 . 0 0 "[ . 1 . 2]" 1
1254 1 87 GLN H 1 87 GLN QB 1.800 . 3.660 2.284 2.058 2.873 . 0 0 "[ . 1 . 2]" 1
1255 1 87 GLN H 1 87 GLN QG 1.800 . 4.750 3.148 1.748 4.048 0.052 8 0 "[ . 1 . 2]" 1
1256 1 87 GLN H 1 88 PRO QD 1.800 . 4.140 2.000 1.793 2.121 0.007 4 0 "[ . 1 . 2]" 1
1257 1 88 PRO HA 1 91 ASP QB 1.800 . 4.060 3.049 2.824 3.393 . 0 0 "[ . 1 . 2]" 1
1258 1 88 PRO HA 1 91 ASP H 1.800 . 4.550 3.539 3.331 3.762 . 0 0 "[ . 1 . 2]" 1
1259 1 88 PRO HA 1 92 ARG H 1.800 . 5.170 4.521 4.085 4.994 . 0 0 "[ . 1 . 2]" 1
1260 1 88 PRO QB 1 89 GLU H 1.800 . 4.090 2.914 2.609 3.364 . 0 0 "[ . 1 . 2]" 1
1261 1 88 PRO QD 1 89 GLU H 1.800 . 4.920 2.837 2.544 3.192 . 0 0 "[ . 1 . 2]" 1
1262 1 89 GLU HA 1 89 GLU QG 1.800 . 3.610 2.610 2.261 2.847 . 0 0 "[ . 1 . 2]" 1
1263 1 89 GLU HA 1 92 ARG QB 1.800 . 4.200 2.911 2.524 4.237 0.037 20 0 "[ . 1 . 2]" 1
1264 1 89 GLU HA 1 92 ARG H 1.800 . 4.640 3.507 3.339 3.674 . 0 0 "[ . 1 . 2]" 1
1265 1 89 GLU HA 1 93 PHE H 1.800 . 5.000 3.942 3.641 4.409 . 0 0 "[ . 1 . 2]" 1
1266 1 89 GLU QB 1 90 TRP H 1.800 . 4.090 2.596 2.512 2.730 . 0 0 "[ . 1 . 2]" 1
1267 1 89 GLU QG 1 90 TRP H 1.800 . 5.130 4.025 3.709 4.574 . 0 0 "[ . 1 . 2]" 1
1268 1 89 GLU H 1 89 GLU QB 1.800 . 3.380 2.319 2.176 2.409 . 0 0 "[ . 1 . 2]" 1
1269 1 89 GLU H 1 89 GLU QG 1.800 . 4.000 2.953 2.177 4.061 0.061 19 0 "[ . 1 . 2]" 1
1270 1 89 GLU H 1 90 TRP H 1.800 . 3.640 2.626 2.536 2.718 . 0 0 "[ . 1 . 2]" 1
1271 1 90 TRP HA 1 93 PHE QB 1.800 . 4.460 2.429 2.254 2.694 . 0 0 "[ . 1 . 2]" 1
1272 1 90 TRP HA 1 93 PHE H 1.800 . 4.600 3.440 3.301 3.620 . 0 0 "[ . 1 . 2]" 1
1273 1 90 TRP HA 1 94 MET H 1.800 . 4.800 3.783 3.256 4.091 . 0 0 "[ . 1 . 2]" 1
1274 1 90 TRP HB3 1 91 ASP H 1.800 . 4.850 3.215 2.814 3.512 . 0 0 "[ . 1 . 2]" 1
1275 1 90 TRP HB2 1 91 ASP H 1.800 . 4.850 2.862 2.719 3.052 . 0 0 "[ . 1 . 2]" 1
1276 1 90 TRP H 1 90 TRP HB3 1.800 . 3.870 3.491 3.330 3.580 . 0 0 "[ . 1 . 2]" 1
1277 1 90 TRP H 1 90 TRP HB2 1.800 . 3.870 2.186 2.075 2.302 . 0 0 "[ . 1 . 2]" 1
1278 1 90 TRP H 1 91 ASP H 1.800 . 3.900 2.726 2.664 2.778 . 0 0 "[ . 1 . 2]" 1
1279 1 91 ASP HA 1 94 MET QB 1.800 . 4.750 2.958 2.605 3.165 . 0 0 "[ . 1 . 2]" 1
1280 1 91 ASP HA 1 94 MET H 1.800 . 4.800 3.705 3.512 3.994 . 0 0 "[ . 1 . 2]" 1
1281 1 91 ASP HA 1 95 ARG H 1.800 . 5.000 4.219 3.849 4.477 . 0 0 "[ . 1 . 2]" 1
1282 1 91 ASP QB 1 92 ARG H 1.800 . 3.820 2.417 2.281 2.531 . 0 0 "[ . 1 . 2]" 1
1283 1 91 ASP H 1 91 ASP QB 1.800 . 3.480 2.293 2.249 2.383 . 0 0 "[ . 1 . 2]" 1
1284 1 91 ASP H 1 92 ARG H 1.800 . 4.140 2.746 2.666 2.822 . 0 0 "[ . 1 . 2]" 1
1285 1 92 ARG HA 1 92 ARG QD 1.800 . 4.140 3.724 2.217 4.464 0.324 20 0 "[ . 1 . 2]" 1
1286 1 92 ARG HA 1 95 ARG QB 1.800 . 4.710 2.721 2.359 3.206 . 0 0 "[ . 1 . 2]" 1
1287 1 92 ARG HA 1 95 ARG H 1.800 . 4.600 3.537 3.394 3.707 . 0 0 "[ . 1 . 2]" 1
1288 1 92 ARG HA 1 96 PHE H 1.800 . 4.800 4.003 3.460 4.477 . 0 0 "[ . 1 . 2]" 1
1289 1 92 ARG QB 1 93 PHE H 1.800 . 3.790 2.565 2.431 3.393 . 0 0 "[ . 1 . 2]" 1
1290 1 92 ARG H 1 92 ARG QB 1.800 . 3.540 2.318 2.252 2.584 . 0 0 "[ . 1 . 2]" 1
1291 1 92 ARG H 1 92 ARG QG 1.800 . 5.030 3.211 1.915 3.986 . 0 0 "[ . 1 . 2]" 1
1292 1 92 ARG H 1 93 PHE H 1.800 . 4.600 2.611 2.511 2.691 . 0 0 "[ . 1 . 2]" 1
1293 1 93 PHE HA 1 93 PHE QD 1.800 . 4.460 2.769 2.320 3.011 . 0 0 "[ . 1 . 2]" 1
1294 1 93 PHE HA 1 96 PHE QB 1.800 . 5.280 2.612 2.329 3.035 . 0 0 "[ . 1 . 2]" 1
1295 1 93 PHE HA 1 96 PHE H 1.800 . 4.810 3.526 3.330 3.835 . 0 0 "[ . 1 . 2]" 1
1296 1 93 PHE HA 1 97 MET H 1.800 . 5.000 4.018 3.549 4.543 . 0 0 "[ . 1 . 2]" 1
1297 1 93 PHE QB 1 94 MET H 1.800 . 4.480 2.448 2.337 2.730 . 0 0 "[ . 1 . 2]" 1
1298 1 93 PHE QD 1 94 MET H 1.800 . 5.220 3.524 2.847 4.588 . 0 0 "[ . 1 . 2]" 1
1299 1 93 PHE H 1 93 PHE QB 1.800 . 3.500 2.244 2.088 2.275 . 0 0 "[ . 1 . 2]" 1
1300 1 93 PHE H 1 93 PHE QD 1.800 . 4.720 4.018 2.647 4.202 . 0 0 "[ . 1 . 2]" 1
1301 1 93 PHE H 1 94 MET H 1.800 . 4.210 2.734 2.660 2.793 . 0 0 "[ . 1 . 2]" 1
1302 1 94 MET HA 1 94 MET ME 1.800 . 4.810 3.838 3.036 4.685 . 0 0 "[ . 1 . 2]" 1
1303 1 94 MET HA 1 97 MET QB 1.800 . 4.140 2.838 2.306 3.144 . 0 0 "[ . 1 . 2]" 1
1304 1 94 MET HA 1 97 MET H 1.800 . 4.490 3.610 3.401 3.789 . 0 0 "[ . 1 . 2]" 1
1305 1 94 MET HA 1 98 GLU H 1.800 . 5.200 4.100 3.657 4.472 . 0 0 "[ . 1 . 2]" 1
1306 1 94 MET HB3 1 95 ARG H 1.800 . 4.710 2.942 2.396 3.591 . 0 0 "[ . 1 . 2]" 1
1307 1 94 MET HB2 1 95 ARG H 1.800 . 4.710 3.260 2.492 3.888 . 0 0 "[ . 1 . 2]" 1
1308 1 94 MET H 1 94 MET QB 1.800 . 3.830 2.301 2.252 2.457 . 0 0 "[ . 1 . 2]" 1
1309 1 94 MET H 1 94 MET QG 1.800 . 4.300 3.243 2.090 4.070 . 0 0 "[ . 1 . 2]" 1
1310 1 94 MET H 1 95 ARG H 1.800 . 4.380 2.708 2.609 2.807 . 0 0 "[ . 1 . 2]" 1
1311 1 95 ARG HA 1 98 GLU QB 1.800 . 5.000 2.664 2.355 2.986 . 0 0 "[ . 1 . 2]" 1
1312 1 95 ARG HA 1 98 GLU QG 1.800 . 5.120 4.131 2.826 4.865 . 0 0 "[ . 1 . 2]" 1
1313 1 95 ARG HA 1 98 GLU H 1.800 . 4.800 3.499 3.346 3.689 . 0 0 "[ . 1 . 2]" 1
1314 1 95 ARG HA 1 99 ARG H 1.800 . 5.000 3.916 3.429 4.447 . 0 0 "[ . 1 . 2]" 1
1315 1 95 ARG HB3 1 96 PHE H 1.800 . 4.650 3.021 2.367 3.598 . 0 0 "[ . 1 . 2]" 1
1316 1 95 ARG HB2 1 96 PHE H 1.800 . 4.650 3.207 2.499 3.890 . 0 0 "[ . 1 . 2]" 1
1317 1 95 ARG H 1 95 ARG QB 1.800 . 3.540 2.306 2.235 2.364 . 0 0 "[ . 1 . 2]" 1
1318 1 95 ARG H 1 96 PHE H 1.800 . 4.210 2.660 2.592 2.779 . 0 0 "[ . 1 . 2]" 1
1319 1 96 PHE HA 1 96 PHE QD 1.800 . 4.710 2.637 2.315 3.095 . 0 0 "[ . 1 . 2]" 1
1320 1 96 PHE HA 1 99 ARG QB 1.800 . 4.470 2.909 2.610 3.353 . 0 0 "[ . 1 . 2]" 1
1321 1 96 PHE HA 1 99 ARG H 1.800 . 4.800 3.652 3.510 3.914 . 0 0 "[ . 1 . 2]" 1
1322 1 96 PHE HA 1 100 TYR H 1.800 . 5.050 3.762 3.190 4.349 . 0 0 "[ . 1 . 2]" 1
1323 1 96 PHE QB 1 97 MET H 1.800 . 4.550 2.474 2.382 2.644 . 0 0 "[ . 1 . 2]" 1
1324 1 96 PHE QD 1 97 MET H 1.800 . 5.180 3.573 2.781 4.448 . 0 0 "[ . 1 . 2]" 1
1325 1 96 PHE H 1 96 PHE HB3 1.800 . 4.130 2.797 2.404 3.584 . 0 0 "[ . 1 . 2]" 1
1326 1 96 PHE H 1 96 PHE HB2 1.800 . 4.130 2.503 2.217 2.680 . 0 0 "[ . 1 . 2]" 1
1327 1 96 PHE H 1 96 PHE QD 1.800 . 4.770 3.627 2.035 4.204 . 0 0 "[ . 1 . 2]" 1
1328 1 96 PHE H 1 97 MET H 1.800 . 4.210 2.719 2.562 2.798 . 0 0 "[ . 1 . 2]" 1
1329 1 97 MET HA 1 97 MET ME 1.800 . 4.890 4.028 2.300 4.677 . 0 0 "[ . 1 . 2]" 1
1330 1 97 MET HA 1 100 TYR QB 1.800 . 4.230 2.565 2.311 2.970 . 0 0 "[ . 1 . 2]" 1
1331 1 97 MET HA 1 100 TYR H 1.800 . 4.740 3.653 3.412 4.047 . 0 0 "[ . 1 . 2]" 1
1332 1 97 MET HA 1 101 GLY H 1.800 . 4.800 3.717 3.097 4.124 . 0 0 "[ . 1 . 2]" 1
1333 1 97 MET QB 1 98 GLU H 1.800 . 4.140 2.542 2.390 2.694 . 0 0 "[ . 1 . 2]" 1
1334 1 97 MET ME 1 97 MET QG 1.800 . 3.530 2.182 2.131 2.241 . 0 0 "[ . 1 . 2]" 1
1335 1 97 MET H 1 97 MET QB 1.800 . 3.600 2.273 2.251 2.322 . 0 0 "[ . 1 . 2]" 1
1336 1 97 MET H 1 97 MET HG3 1.800 . 5.100 4.144 2.402 4.668 . 0 0 "[ . 1 . 2]" 1
1337 1 97 MET H 1 97 MET HG2 1.800 . 5.100 4.271 2.443 4.659 . 0 0 "[ . 1 . 2]" 1
1338 1 97 MET H 1 98 GLU H 1.800 . 4.600 2.662 2.529 2.778 . 0 0 "[ . 1 . 2]" 1
1339 1 98 GLU HA 1 101 GLY H 1.800 . 4.800 3.744 3.506 3.981 . 0 0 "[ . 1 . 2]" 1
1340 1 98 GLU HA 1 102 ALA H 1.800 . 5.000 4.141 3.606 4.439 . 0 0 "[ . 1 . 2]" 1
1341 1 98 GLU QB 1 98 GLU QG 1.800 . 2.480 2.078 2.030 2.110 . 0 0 "[ . 1 . 2]" 1
1342 1 98 GLU HB3 1 99 ARG H 1.800 . 4.460 2.699 2.246 3.474 . 0 0 "[ . 1 . 2]" 1
1343 1 98 GLU HB2 1 99 ARG H 1.800 . 4.460 3.335 2.340 3.844 . 0 0 "[ . 1 . 2]" 1
1344 1 98 GLU H 1 98 GLU QB 1.800 . 3.650 2.287 2.064 2.401 . 0 0 "[ . 1 . 2]" 1
1345 1 98 GLU H 1 98 GLU QG 1.800 . 4.300 3.469 2.136 4.070 . 0 0 "[ . 1 . 2]" 1
1346 1 98 GLU H 1 99 ARG H 1.800 . 4.210 2.720 2.613 2.877 . 0 0 "[ . 1 . 2]" 1
1347 1 99 ARG HA 1 99 ARG HD3 1.800 . 4.700 3.995 2.269 4.701 0.001 7 0 "[ . 1 . 2]" 1
1348 1 99 ARG HA 1 99 ARG HD2 1.800 . 4.700 3.627 2.281 4.751 0.051 10 0 "[ . 1 . 2]" 1
1349 1 99 ARG HA 1 102 ALA MB 1.800 . 3.840 2.603 2.261 2.972 . 0 0 "[ . 1 . 2]" 1
1350 1 99 ARG HA 1 102 ALA H 1.800 . 4.800 3.484 3.276 3.656 . 0 0 "[ . 1 . 2]" 1
1351 1 99 ARG HA 1 103 GLU H 1.800 . 5.000 4.288 3.656 4.539 . 0 0 "[ . 1 . 2]" 1
1352 1 99 ARG QB 1 99 ARG QD 1.800 . 3.490 2.265 2.124 2.585 . 0 0 "[ . 1 . 2]" 1
1353 1 99 ARG QB 1 100 TYR H 1.800 . 4.320 2.481 2.207 2.645 . 0 0 "[ . 1 . 2]" 1
1354 1 99 ARG QG 1 100 TYR H 1.800 . 4.880 3.936 3.356 4.165 . 0 0 "[ . 1 . 2]" 1
1355 1 99 ARG H 1 99 ARG QB 1.800 . 3.830 2.314 2.245 2.397 . 0 0 "[ . 1 . 2]" 1
1356 1 99 ARG H 1 99 ARG QG 1.800 . 4.700 3.013 2.197 4.076 . 0 0 "[ . 1 . 2]" 1
1357 1 99 ARG H 1 100 TYR H 1.800 . 4.090 2.651 2.584 2.793 . 0 0 "[ . 1 . 2]" 1
1358 1 100 TYR HA 1 100 TYR QD 1.800 . 4.370 2.729 2.455 3.001 . 0 0 "[ . 1 . 2]" 1
1359 1 100 TYR HA 1 103 GLU QB 1.800 . 4.700 3.264 2.715 4.482 . 0 0 "[ . 1 . 2]" 1
1360 1 100 TYR HA 1 103 GLU H 1.800 . 4.800 3.647 3.364 4.272 . 0 0 "[ . 1 . 2]" 1
1361 1 100 TYR QB 1 101 GLY H 1.800 . 4.320 2.428 2.277 2.515 . 0 0 "[ . 1 . 2]" 1
1362 1 100 TYR QD 1 101 GLY H 1.800 . 5.280 3.240 2.852 3.910 . 0 0 "[ . 1 . 2]" 1
1363 1 100 TYR QD 1 106 LEU MD1 1.800 . 4.800 3.773 2.290 4.873 0.073 10 0 "[ . 1 . 2]" 1
1364 1 100 TYR QE 1 106 LEU MD1 1.800 . 4.320 3.400 2.064 4.453 0.133 16 0 "[ . 1 . 2]" 1
1365 1 100 TYR H 1 100 TYR QB 1.800 . 3.440 2.256 2.219 2.267 . 0 0 "[ . 1 . 2]" 1
1366 1 100 TYR H 1 100 TYR QD 1.800 . 5.090 4.182 4.072 4.202 . 0 0 "[ . 1 . 2]" 1
1367 1 100 TYR H 1 101 GLY H 1.800 . 4.600 2.735 2.674 2.842 . 0 0 "[ . 1 . 2]" 1
1368 1 101 GLY QA 1 104 ASN H 1.800 . 5.020 3.360 2.865 3.857 . 0 0 "[ . 1 . 2]" 1
1369 1 101 GLY QA 1 106 LEU MD1 1.800 . 4.400 3.306 1.905 4.505 0.105 11 0 "[ . 1 . 2]" 1
1370 1 101 GLY QA 1 106 LEU H 1.800 . 4.600 3.590 2.120 4.947 0.347 8 0 "[ . 1 . 2]" 1
1371 1 101 GLY H 1 102 ALA H 1.800 . 4.470 2.642 2.520 2.745 . 0 0 "[ . 1 . 2]" 1
1372 1 102 ALA MB 1 103 GLU QG 1.800 . 4.090 3.101 2.782 4.044 . 0 0 "[ . 1 . 2]" 1
1373 1 102 ALA MB 1 103 GLU H 1.800 . 3.400 2.447 2.264 2.566 . 0 0 "[ . 1 . 2]" 1
1374 1 102 ALA H 1 102 ALA MB 1.800 . 3.320 2.232 2.211 2.246 . 0 0 "[ . 1 . 2]" 1
1375 1 102 ALA H 1 103 GLU H 1.800 . 4.600 2.715 2.626 2.914 . 0 0 "[ . 1 . 2]" 1
1376 1 103 GLU HA 1 103 GLU QG 1.800 . 3.730 2.609 2.289 3.318 . 0 0 "[ . 1 . 2]" 1
1377 1 103 GLU QB 1 104 ASN QD 1.800 . 5.030 3.730 2.539 4.918 . 0 0 "[ . 1 . 2]" 1
1378 1 103 GLU QB 1 104 ASN H 1.800 . 4.390 2.614 2.215 3.685 . 0 0 "[ . 1 . 2]" 1
1379 1 103 GLU H 1 103 GLU QB 1.800 . 3.630 2.409 2.294 2.734 . 0 0 "[ . 1 . 2]" 1
1380 1 103 GLU H 1 103 GLU QG 1.800 . 3.600 2.294 1.762 3.340 0.038 16 0 "[ . 1 . 2]" 1
1381 1 103 GLU H 1 104 ASN H 1.800 . 3.690 2.579 2.297 2.755 . 0 0 "[ . 1 . 2]" 1
1382 1 104 ASN QB 1 106 LEU MD1 1.800 . 4.570 3.996 1.997 4.928 0.358 13 0 "[ . 1 . 2]" 1
1383 1 104 ASN H 1 104 ASN QB 1.800 . 3.670 2.781 2.308 3.460 . 0 0 "[ . 1 . 2]" 1
1384 1 104 ASN H 1 104 ASN QD 1.800 . 4.410 3.758 2.654 4.373 . 0 0 "[ . 1 . 2]" 1
1385 1 104 ASN H 1 104 ASN HD21 1.800 . 5.030 4.079 2.677 4.988 . 0 0 "[ . 1 . 2]" 1
1386 1 104 ASN H 1 104 ASN HD22 1.800 . 5.030 4.522 3.909 5.079 0.049 13 0 "[ . 1 . 2]" 1
1387 1 104 ASN H 1 105 GLY H 1.800 . 4.300 3.779 2.731 4.525 0.225 14 0 "[ . 1 . 2]" 1
1388 1 105 GLY H 1 106 LEU H 1.800 . 4.400 3.299 1.949 4.625 0.225 6 0 "[ . 1 . 2]" 1
1389 1 106 LEU HA 1 106 LEU MD1 1.800 . 4.400 2.817 2.089 3.840 . 0 0 "[ . 1 . 2]" 1
1390 1 106 LEU HA 1 106 LEU MD2 1.800 . 4.200 3.129 2.095 4.031 . 0 0 "[ . 1 . 2]" 1
1391 1 106 LEU HA 1 107 GLY H 1.800 . 3.890 2.719 2.140 3.567 . 0 0 "[ . 1 . 2]" 1
1392 1 106 LEU QB 1 106 LEU MD1 1.800 . 3.580 2.211 2.102 2.345 . 0 0 "[ . 1 . 2]" 1
1393 1 106 LEU QB 1 107 GLY H 1.800 . 4.150 2.940 1.782 3.765 0.018 3 0 "[ . 1 . 2]" 1
1394 1 106 LEU H 1 106 LEU QB 1.800 . 3.510 2.822 2.181 3.396 . 0 0 "[ . 1 . 2]" 1
1395 1 106 LEU H 1 106 LEU MD1 1.800 . 4.380 2.766 1.815 3.911 . 0 0 "[ . 1 . 2]" 1
1396 1 106 LEU H 1 106 LEU MD2 1.800 . 4.660 3.388 1.732 4.491 0.068 7 0 "[ . 1 . 2]" 1
1397 1 106 LEU H 1 106 LEU HG 1.800 . 3.850 3.396 1.999 4.144 0.294 19 0 "[ . 1 . 2]" 1
1398 1 106 LEU H 1 107 GLY H 1.800 . 4.600 3.734 2.078 4.672 0.072 3 0 "[ . 1 . 2]" 1
1399 1 107 GLY H 1 108 PHE H 1.800 . 5.030 3.268 1.720 4.652 0.080 1 0 "[ . 1 . 2]" 1
1400 1 108 PHE HA 1 108 PHE QD 1.800 . 4.420 2.819 2.289 3.716 . 0 0 "[ . 1 . 2]" 1
1401 1 108 PHE HA 1 113 LEU MD1 1.800 . 5.060 4.365 2.748 5.113 0.053 10 0 "[ . 1 . 2]" 1
1402 1 108 PHE QB 1 113 LEU MD1 1.800 . 4.110 2.874 2.106 4.111 0.001 3 0 "[ . 1 . 2]" 1
1403 1 108 PHE QB 1 113 LEU MD2 1.800 . 4.440 3.684 2.317 4.497 0.057 19 0 "[ . 1 . 2]" 1
1404 1 108 PHE QB 1 113 LEU HG 1.800 . 5.000 4.106 2.455 5.138 0.138 12 0 "[ . 1 . 2]" 1
1405 1 108 PHE H 1 108 PHE QB 1.800 . 3.870 2.601 2.277 3.295 . 0 0 "[ . 1 . 2]" 1
1406 1 108 PHE H 1 108 PHE QD 1.800 . 4.610 2.964 2.126 4.545 . 0 0 "[ . 1 . 2]" 1
1407 1 109 SER HA 1 110 LYS H 1.800 . 3.830 2.751 2.172 3.572 . 0 0 "[ . 1 . 2]" 1
1408 1 110 LYS HA 1 110 LYS QD 1.800 . 4.310 3.884 2.153 4.442 0.132 18 0 "[ . 1 . 2]" 1
1409 1 110 LYS HA 1 113 LEU QB 1.800 . 4.700 3.291 2.301 4.766 0.066 13 0 "[ . 1 . 2]" 1
1410 1 110 LYS HA 1 113 LEU MD1 1.800 . 4.500 3.665 2.410 4.696 0.196 17 0 "[ . 1 . 2]" 1
1411 1 110 LYS HA 1 114 GLU H 1.800 . 4.800 4.212 2.747 5.032 0.232 13 0 "[ . 1 . 2]" 1
1412 1 110 LYS QB 1 110 LYS QD 1.800 . 3.120 2.175 2.114 2.256 . 0 0 "[ . 1 . 2]" 1
1413 1 110 LYS QB 1 110 LYS QE 1.800 . 5.090 3.114 2.135 3.795 . 0 0 "[ . 1 . 2]" 1
1414 1 110 LYS QB 1 111 SER H 1.800 . 4.470 3.110 1.804 4.048 . 0 0 "[ . 1 . 2]" 1
1415 1 110 LYS QE 1 110 LYS QG 1.800 . 3.610 2.253 2.121 2.580 . 0 0 "[ . 1 . 2]" 1
1416 1 110 LYS H 1 110 LYS QD 1.800 . 5.090 4.369 3.443 5.124 0.034 12 0 "[ . 1 . 2]" 1
1417 1 110 LYS H 1 110 LYS QG 1.800 . 4.620 3.030 1.908 4.255 . 0 0 "[ . 1 . 2]" 1
1418 1 110 LYS H 1 111 SER H 1.800 . 4.970 3.189 1.772 4.656 0.028 13 0 "[ . 1 . 2]" 1
1419 1 111 SER HA 1 114 GLU QB 1.800 . 4.800 4.356 3.220 4.902 0.102 17 0 "[ . 1 . 2]" 1
1420 1 111 SER QB 1 112 GLU H 1.800 . 4.400 2.917 1.808 3.765 . 0 0 "[ . 1 . 2]" 1
1421 1 112 GLU HA 1 112 GLU QG 1.800 . 3.780 2.612 2.244 3.317 . 0 0 "[ . 1 . 2]" 1
1422 1 112 GLU HA 1 113 LEU H 1.800 . 3.600 3.473 3.206 3.584 . 0 0 "[ . 1 . 2]" 1
1423 1 112 GLU QB 1 113 LEU MD2 1.800 . 5.160 3.721 2.134 5.357 0.197 14 0 "[ . 1 . 2]" 1
1424 1 112 GLU QB 1 113 LEU H 1.800 . 4.330 2.825 2.080 3.749 . 0 0 "[ . 1 . 2]" 1
1425 1 112 GLU QG 1 113 LEU H 1.800 . 4.920 3.932 2.202 4.771 . 0 0 "[ . 1 . 2]" 1
1426 1 112 GLU H 1 112 GLU QG 1.800 . 4.590 3.011 1.927 4.459 . 0 0 "[ . 1 . 2]" 1
1427 1 113 LEU HA 1 113 LEU MD2 1.800 . 3.400 2.510 2.117 3.698 0.298 6 0 "[ . 1 . 2]" 1
1428 1 113 LEU HA 1 113 LEU HG 1.800 . 3.630 3.038 2.302 3.716 0.086 15 0 "[ . 1 . 2]" 1
1429 1 113 LEU QB 1 113 LEU MD2 1.800 . 3.170 2.207 2.092 2.305 . 0 0 "[ . 1 . 2]" 1
1430 1 113 LEU QB 1 114 GLU QG 1.800 . 4.740 3.373 2.770 4.482 . 0 0 "[ . 1 . 2]" 1
1431 1 113 LEU HB3 1 113 LEU MD1 1.800 . 3.180 2.533 2.242 3.194 0.014 6 0 "[ . 1 . 2]" 1
1432 1 113 LEU HB3 1 114 GLU H 1.800 . 4.590 3.332 1.791 4.207 0.009 9 0 "[ . 1 . 2]" 1
1433 1 113 LEU HB2 1 113 LEU MD1 1.800 . 3.180 2.477 2.207 3.219 0.039 11 0 "[ . 1 . 2]" 1
1434 1 113 LEU HB2 1 114 GLU H 1.800 . 4.590 2.662 1.740 3.617 0.060 12 0 "[ . 1 . 2]" 1
1435 1 113 LEU MD1 1 114 GLU QG 1.800 . 5.020 4.634 3.843 5.297 0.277 13 0 "[ . 1 . 2]" 1
1436 1 113 LEU H 1 113 LEU HB3 1.800 . 4.070 3.508 2.891 3.791 . 0 0 "[ . 1 . 2]" 1
1437 1 113 LEU H 1 113 LEU HB2 1.800 . 4.070 2.505 2.180 3.563 . 0 0 "[ . 1 . 2]" 1
1438 1 113 LEU H 1 113 LEU MD1 1.800 . 4.330 3.364 1.847 4.304 . 0 0 "[ . 1 . 2]" 1
1439 1 113 LEU H 1 113 LEU MD2 1.800 . 4.600 3.215 1.604 4.197 0.196 15 0 "[ . 1 . 2]" 1
1440 1 113 LEU H 1 113 LEU HG 1.800 . 4.500 2.839 1.848 4.562 0.062 3 0 "[ . 1 . 2]" 1
1441 1 114 GLU HA 1 114 GLU HG3 1.800 . 4.170 3.276 2.318 3.750 . 0 0 "[ . 1 . 2]" 1
1442 1 114 GLU HA 1 114 GLU HG2 1.800 . 4.170 2.884 2.426 3.675 . 0 0 "[ . 1 . 2]" 1
1443 1 114 GLU QB 1 115 HIS H 1.800 . 4.100 3.096 1.744 4.011 0.056 5 0 "[ . 1 . 2]" 1
1444 1 114 GLU H 1 114 GLU QB 1.800 . 3.500 2.671 2.245 3.407 . 0 0 "[ . 1 . 2]" 1
1445 1 114 GLU H 1 114 GLU QG 1.800 . 3.980 2.453 1.736 3.604 0.064 8 0 "[ . 1 . 2]" 1
1446 1 119 HIS HA 1 120 HIS H 1.800 . 3.380 2.518 2.159 3.537 0.157 11 0 "[ . 1 . 2]" 1
1447 1 119 HIS QB 1 120 HIS H 1.800 . 4.130 3.205 1.909 4.017 . 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 64
_Distance_constraint_stats_list.Viol_count 263
_Distance_constraint_stats_list.Viol_total 342.951
_Distance_constraint_stats_list.Viol_max 0.333
_Distance_constraint_stats_list.Viol_rms 0.0353
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0134
_Distance_constraint_stats_list.Viol_average_violations_only 0.0652
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 0.909 0.141 5 0 "[ . 1 . 2]"
1 5 GLN 1.408 0.118 9 0 "[ . 1 . 2]"
1 17 GLU 1.504 0.139 4 0 "[ . 1 . 2]"
1 19 ARG 0.103 0.049 12 0 "[ . 1 . 2]"
1 21 SER 0.688 0.076 2 0 "[ . 1 . 2]"
1 30 MET 0.688 0.076 2 0 "[ . 1 . 2]"
1 31 ALA 0.385 0.095 8 0 "[ . 1 . 2]"
1 32 LYS 0.103 0.049 12 0 "[ . 1 . 2]"
1 33 PHE 1.208 0.161 6 0 "[ . 1 . 2]"
1 34 TYR 1.504 0.139 4 0 "[ . 1 . 2]"
1 35 PHE 1.539 0.138 12 0 "[ . 1 . 2]"
1 52 MET 1.042 0.169 16 0 "[ . 1 . 2]"
1 53 TYR 1.408 0.118 9 0 "[ . 1 . 2]"
1 54 LEU 0.840 0.162 16 0 "[ . 1 . 2]"
1 55 ILE 0.909 0.141 5 0 "[ . 1 . 2]"
1 61 ILE 0.840 0.162 16 0 "[ . 1 . 2]"
1 63 THR 1.042 0.169 16 0 "[ . 1 . 2]"
1 67 LYS 0.215 0.074 19 0 "[ . 1 . 2]"
1 69 LYS 5.272 0.333 16 0 "[ . 1 . 2]"
1 77 ALA 5.272 0.333 16 0 "[ . 1 . 2]"
1 78 ILE 1.539 0.138 12 0 "[ . 1 . 2]"
1 79 GLU 0.215 0.074 19 0 "[ . 1 . 2]"
1 80 ALA 1.208 0.161 6 0 "[ . 1 . 2]"
1 82 VAL 0.385 0.095 8 0 "[ . 1 . 2]"
1 89 GLU 0.404 0.075 15 0 "[ . 1 . 2]"
1 90 TRP 0.074 0.048 14 0 "[ . 1 . 2]"
1 91 ASP 0.064 0.035 20 0 "[ . 1 . 2]"
1 92 ARG 0.112 0.037 12 0 "[ . 1 . 2]"
1 93 PHE 0.481 0.075 15 0 "[ . 1 . 2]"
1 94 MET 0.074 0.048 14 0 "[ . 1 . 2]"
1 95 ARG 0.232 0.051 13 0 "[ . 1 . 2]"
1 96 PHE 0.386 0.046 18 0 "[ . 1 . 2]"
1 97 MET 0.255 0.117 13 0 "[ . 1 . 2]"
1 98 GLU 0.064 0.063 8 0 "[ . 1 . 2]"
1 99 ARG 0.567 0.093 8 0 "[ . 1 . 2]"
1 100 TYR 0.495 0.080 12 0 "[ . 1 . 2]"
1 101 GLY 0.178 0.117 13 0 "[ . 1 . 2]"
1 102 ALA 0.064 0.063 8 0 "[ . 1 . 2]"
1 103 GLU 0.399 0.093 8 0 "[ . 1 . 2]"
1 104 ASN 0.221 0.080 12 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 17 GLU H 1 34 TYR O 1.700 . 2.300 2.319 2.123 2.439 0.139 4 0 "[ . 1 . 2]" 2
2 1 17 GLU N 1 34 TYR O 2.700 2.700 3.300 3.092 2.933 3.296 . 0 0 "[ . 1 . 2]" 2
3 1 17 GLU O 1 34 TYR H 1.700 . 2.300 2.223 1.822 2.384 0.084 2 0 "[ . 1 . 2]" 2
4 1 17 GLU O 1 34 TYR N 2.700 2.700 3.300 3.174 2.799 3.348 0.048 2 0 "[ . 1 . 2]" 2
5 1 19 ARG H 1 32 LYS O 1.700 . 2.300 2.127 1.817 2.346 0.046 11 0 "[ . 1 . 2]" 2
6 1 19 ARG N 1 32 LYS O 2.700 2.700 3.300 3.028 2.779 3.230 . 0 0 "[ . 1 . 2]" 2
7 1 19 ARG O 1 32 LYS H 1.700 . 2.300 1.965 1.721 2.235 . 0 0 "[ . 1 . 2]" 2
8 1 19 ARG O 1 32 LYS N 2.700 2.700 3.300 2.870 2.651 3.127 0.049 12 0 "[ . 1 . 2]" 2
9 1 21 SER H 1 30 MET O 1.700 . 2.300 2.289 1.897 2.376 0.076 2 0 "[ . 1 . 2]" 2
10 1 21 SER N 1 30 MET O 2.700 2.700 3.300 3.162 2.821 3.302 0.002 13 0 "[ . 1 . 2]" 2
11 1 31 ALA H 1 82 VAL O 1.700 . 2.300 2.197 1.914 2.395 0.095 8 0 "[ . 1 . 2]" 2
12 1 31 ALA N 1 82 VAL O 2.700 2.700 3.300 3.082 2.847 3.318 0.018 8 0 "[ . 1 . 2]" 2
13 1 31 ALA O 1 82 VAL H 1.700 . 2.300 1.959 1.764 2.163 . 0 0 "[ . 1 . 2]" 2
14 1 31 ALA O 1 82 VAL N 2.700 2.700 3.300 2.920 2.733 3.114 . 0 0 "[ . 1 . 2]" 2
15 1 33 PHE H 1 80 ALA O 1.700 . 2.300 1.977 1.828 2.201 . 0 0 "[ . 1 . 2]" 2
16 1 33 PHE N 1 80 ALA O 2.700 2.700 3.300 2.892 2.753 3.099 . 0 0 "[ . 1 . 2]" 2
17 1 33 PHE O 1 80 ALA H 1.700 . 2.300 2.342 2.005 2.461 0.161 6 0 "[ . 1 . 2]" 2
18 1 33 PHE O 1 80 ALA N 2.700 2.700 3.300 3.241 2.927 3.341 0.041 6 0 "[ . 1 . 2]" 2
19 1 35 PHE H 1 78 ILE O 1.700 . 2.300 2.101 1.897 2.245 . 0 0 "[ . 1 . 2]" 2
20 1 35 PHE N 1 78 ILE O 2.700 2.700 3.300 2.995 2.759 3.143 . 0 0 "[ . 1 . 2]" 2
21 1 35 PHE O 1 78 ILE H 1.700 . 2.300 2.334 2.011 2.438 0.138 12 0 "[ . 1 . 2]" 2
22 1 35 PHE O 1 78 ILE N 2.700 2.700 3.300 3.249 2.964 3.363 0.063 16 0 "[ . 1 . 2]" 2
23 1 67 LYS H 1 79 GLU O 1.700 . 2.300 1.944 1.692 2.243 0.008 5 0 "[ . 1 . 2]" 2
24 1 67 LYS N 1 79 GLU O 2.700 2.700 3.300 2.860 2.655 3.141 0.045 5 0 "[ . 1 . 2]" 2
25 1 67 LYS O 1 79 GLU H 1.700 . 2.300 1.950 1.778 2.374 0.074 19 0 "[ . 1 . 2]" 2
26 1 67 LYS O 1 79 GLU N 2.700 2.700 3.300 2.833 2.678 3.111 0.022 18 0 "[ . 1 . 2]" 2
27 1 69 LYS H 1 77 ALA O 1.700 . 2.300 2.048 1.863 2.237 . 0 0 "[ . 1 . 2]" 2
28 1 69 LYS N 1 77 ALA O 2.700 2.700 3.300 2.846 2.704 3.007 . 0 0 "[ . 1 . 2]" 2
29 1 69 LYS O 1 77 ALA H 1.700 . 2.300 2.471 2.356 2.633 0.333 16 0 "[ . 1 . 2]" 2
30 1 69 LYS O 1 77 ALA N 2.700 2.700 3.300 3.391 3.273 3.563 0.263 16 0 "[ . 1 . 2]" 2
31 1 54 LEU O 1 61 ILE H 1.700 . 2.300 2.209 1.768 2.462 0.162 16 0 "[ . 1 . 2]" 2
32 1 54 LEU O 1 61 ILE N 2.700 2.700 3.300 3.078 2.716 3.315 0.015 16 0 "[ . 1 . 2]" 2
33 1 54 LEU H 1 61 ILE O 1.700 . 2.300 2.128 1.869 2.378 0.078 16 0 "[ . 1 . 2]" 2
34 1 54 LEU N 1 61 ILE O 2.700 2.700 3.300 3.066 2.819 3.346 0.046 16 0 "[ . 1 . 2]" 2
35 1 52 MET O 1 63 THR H 1.700 . 2.300 2.267 1.908 2.469 0.169 16 0 "[ . 1 . 2]" 2
36 1 52 MET O 1 63 THR N 2.700 2.700 3.300 3.200 2.871 3.430 0.130 16 0 "[ . 1 . 2]" 2
37 1 3 GLU O 1 55 ILE H 1.700 . 2.300 2.285 1.859 2.441 0.141 5 0 "[ . 1 . 2]" 2
38 1 3 GLU O 1 55 ILE N 2.700 2.700 3.300 3.173 2.763 3.413 0.113 5 0 "[ . 1 . 2]" 2
39 1 5 GLN H 1 53 TYR O 1.700 . 2.300 2.295 1.924 2.418 0.118 9 0 "[ . 1 . 2]" 2
40 1 5 GLN N 1 53 TYR O 2.700 2.700 3.300 3.233 2.841 3.396 0.096 9 0 "[ . 1 . 2]" 2
41 1 89 GLU O 1 93 PHE H 1.700 . 2.300 1.849 1.680 2.146 0.020 15 0 "[ . 1 . 2]" 2
42 1 89 GLU O 1 93 PHE N 2.700 2.700 3.300 2.783 2.625 3.105 0.075 15 0 "[ . 1 . 2]" 2
43 1 90 TRP O 1 94 MET H 1.700 . 2.300 1.887 1.732 2.086 . 0 0 "[ . 1 . 2]" 2
44 1 90 TRP O 1 94 MET N 2.700 2.700 3.300 2.838 2.652 3.037 0.048 14 0 "[ . 1 . 2]" 2
45 1 91 ASP O 1 95 ARG H 1.700 . 2.300 2.176 1.892 2.335 0.035 20 0 "[ . 1 . 2]" 2
46 1 91 ASP O 1 95 ARG N 2.700 2.700 3.300 3.112 2.805 3.284 . 0 0 "[ . 1 . 2]" 2
47 1 92 ARG O 1 96 PHE H 1.700 . 2.300 1.945 1.729 2.331 0.031 19 0 "[ . 1 . 2]" 2
48 1 92 ARG O 1 96 PHE N 2.700 2.700 3.300 2.876 2.663 3.278 0.037 12 0 "[ . 1 . 2]" 2
49 1 93 PHE O 1 97 MET H 1.700 . 2.300 2.001 1.741 2.362 0.062 9 0 "[ . 1 . 2]" 2
50 1 93 PHE O 1 97 MET N 2.700 2.700 3.300 2.951 2.691 3.307 0.009 7 0 "[ . 1 . 2]" 2
51 1 94 MET O 1 98 GLU H 1.700 . 2.300 2.050 1.824 2.295 . 0 0 "[ . 1 . 2]" 2
52 1 94 MET O 1 98 GLU N 2.700 2.700 3.300 2.967 2.714 3.229 . 0 0 "[ . 1 . 2]" 2
53 1 95 ARG O 1 99 ARG H 1.700 . 2.300 1.939 1.692 2.351 0.051 13 0 "[ . 1 . 2]" 2
54 1 95 ARG O 1 99 ARG N 2.700 2.700 3.300 2.901 2.654 3.322 0.046 6 0 "[ . 1 . 2]" 2
55 1 96 PHE O 1 100 TYR N 2.700 2.700 3.300 2.789 2.654 3.132 0.046 18 0 "[ . 1 . 2]" 2
56 1 96 PHE O 1 100 TYR H 1.700 . 2.300 1.865 1.716 2.200 . 0 0 "[ . 1 . 2]" 2
57 1 97 MET O 1 101 GLY N 2.700 2.700 3.300 2.877 2.583 3.149 0.117 13 0 "[ . 1 . 2]" 2
58 1 97 MET O 1 101 GLY H 1.700 . 2.300 1.953 1.703 2.211 . 0 0 "[ . 1 . 2]" 2
59 1 98 GLU O 1 102 ALA N 2.700 2.700 3.300 2.975 2.637 3.217 0.063 8 0 "[ . 1 . 2]" 2
60 1 98 GLU O 1 102 ALA H 1.700 . 2.300 2.102 1.802 2.301 0.001 9 0 "[ . 1 . 2]" 2
61 1 99 ARG O 1 103 GLU N 2.700 2.700 3.300 3.152 2.755 3.368 0.068 8 0 "[ . 1 . 2]" 2
62 1 99 ARG O 1 103 GLU H 1.700 . 2.300 2.222 1.785 2.393 0.093 8 0 "[ . 1 . 2]" 2
63 1 100 TYR O 1 104 ASN N 2.700 2.700 3.300 2.944 2.620 3.220 0.080 12 0 "[ . 1 . 2]" 2
64 1 100 TYR O 1 104 ASN H 1.700 . 2.300 2.047 1.711 2.338 0.038 8 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 6:20:55 AM GMT (wattos1)