NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408904 |
1z2k   |
6538 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z2k
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 973
_Distance_constraint_stats_list.Viol_count 545
_Distance_constraint_stats_list.Viol_total 1002.209
_Distance_constraint_stats_list.Viol_max 0.571
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.1314
_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 CYS 0.648 0.341 1 0 "[ . 1 ]"
1 3 PRO 0.335 0.124 1 0 "[ . 1 ]"
1 4 ASP 0.124 0.124 1 0 "[ . 1 ]"
1 5 SER 0.000 0.000 . 0 "[ . 1 ]"
1 6 SER 0.003 0.003 3 0 "[ . 1 ]"
1 7 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 9 VAL 2.335 0.180 14 0 "[ . 1 ]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 12 VAL 1.433 0.247 12 0 "[ . 1 ]"
1 13 SER 0.574 0.210 3 0 "[ . 1 ]"
1 14 GLY 2.326 0.235 3 0 "[ . 1 ]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 16 PRO 0.119 0.084 1 0 "[ . 1 ]"
1 17 VAL 0.848 0.152 4 0 "[ . 1 ]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 20 ARG 0.281 0.161 10 0 "[ . 1 ]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 24 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 26 THR 0.708 0.144 10 0 "[ . 1 ]"
1 27 LYS 0.309 0.177 11 0 "[ . 1 ]"
1 28 ASP 0.309 0.177 11 0 "[ . 1 ]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 30 SER 0.153 0.050 12 0 "[ . 1 ]"
1 31 VAL 3.116 0.280 11 0 "[ . 1 ]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 33 TRP 7.474 0.372 4 0 "[ . 1 ]"
1 34 LYS 3.944 0.310 10 0 "[ . 1 ]"
1 35 LYS 2.499 0.244 7 0 "[ . 1 ]"
1 36 THR 0.000 0.000 . 0 "[ . 1 ]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 39 GLY 0.861 0.140 8 0 "[ . 1 ]"
1 41 HIS 0.861 0.140 8 0 "[ . 1 ]"
1 42 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 44 ILE 0.428 0.076 4 0 "[ . 1 ]"
1 45 GLU 5.597 0.491 9 0 "[ . 1 ]"
1 46 ILE 2.941 0.310 10 0 "[ . 1 ]"
1 47 LEU 4.297 0.491 9 0 "[ . 1 ]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 49 TRP 3.821 0.324 10 0 "[ . 1 ]"
1 50 TYR 2.893 0.280 11 0 "[ . 1 ]"
1 51 ASN 3.682 0.324 10 0 "[ . 1 ]"
1 52 ASP 0.057 0.057 5 0 "[ . 1 ]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 55 SER 0.000 0.000 . 0 "[ . 1 ]"
1 56 TRP 3.959 0.571 10 1 "[ . + ]"
1 57 SER 0.000 0.000 . 0 "[ . 1 ]"
1 58 ASN 5.981 0.571 10 1 "[ . + ]"
1 59 VAL 0.459 0.230 9 0 "[ . 1 ]"
1 60 SER 0.848 0.323 10 0 "[ . 1 ]"
1 61 PHE 2.904 0.376 9 0 "[ . 1 ]"
1 62 SER 2.514 0.406 1 0 "[ . 1 ]"
1 63 ASP 2.720 0.323 10 0 "[ . 1 ]"
1 64 ILE 5.015 0.406 1 0 "[ . 1 ]"
1 65 TYR 2.849 0.277 1 0 "[ . 1 ]"
1 66 GLY 3.201 0.302 13 0 "[ . 1 ]"
1 67 PHE 0.632 0.228 4 0 "[ . 1 ]"
1 68 ASP 0.323 0.105 3 0 "[ . 1 ]"
1 69 TYR 2.260 0.526 4 1 "[ +. 1 ]"
1 70 GLY 1.706 0.215 6 0 "[ . 1 ]"
1 71 ASP 0.884 0.244 6 0 "[ . 1 ]"
1 72 PHE 4.630 0.526 4 1 "[ +. 1 ]"
1 73 ALA 0.568 0.161 10 0 "[ . 1 ]"
1 74 LEU 0.884 0.372 4 0 "[ . 1 ]"
1 75 SER 0.767 0.152 4 0 "[ . 1 ]"
1 76 ILE 2.431 0.200 9 0 "[ . 1 ]"
1 77 LYS 0.337 0.136 10 0 "[ . 1 ]"
1 78 SER 9.677 0.496 10 0 "[ . 1 ]"
1 79 ALA 8.882 0.496 10 0 "[ . 1 ]"
1 80 LYS 1.350 0.214 13 0 "[ . 1 ]"
1 81 LEU 0.908 0.192 4 0 "[ . 1 ]"
1 82 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 84 SER 0.115 0.115 12 0 "[ . 1 ]"
1 85 GLY 1.800 0.311 9 0 "[ . 1 ]"
1 86 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 87 TYR 0.466 0.124 11 0 "[ . 1 ]"
1 88 LEU 2.004 0.143 7 0 "[ . 1 ]"
1 89 LEU 0.024 0.024 6 0 "[ . 1 ]"
1 90 GLU 0.034 0.034 13 0 "[ . 1 ]"
1 91 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 94 THR 0.000 0.000 . 0 "[ . 1 ]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 98 VAL 0.211 0.058 4 0 "[ . 1 ]"
1 99 CYS 0.115 0.073 2 0 "[ . 1 ]"
1 100 ASN 0.566 0.341 1 0 "[ . 1 ]"
1 101 LYS 0.024 0.024 6 0 "[ . 1 ]"
1 102 ASN 0.384 0.124 1 0 "[ . 1 ]"
1 103 PHE 0.891 0.131 4 0 "[ . 1 ]"
1 104 GLN 0.027 0.019 7 0 "[ . 1 ]"
1 105 LEU 2.147 0.180 14 0 "[ . 1 ]"
1 106 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 107 ILE 4.944 0.311 9 0 "[ . 1 ]"
1 108 LEU 0.961 0.091 3 0 "[ . 1 ]"
1 109 ASP 0.187 0.081 4 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 CYS HA 1 24 ILE MG 0.000 . 6.500 4.654 3.118 5.291 . 0 0 "[ . 1 ]" 1
2 1 2 CYS HA 1 98 VAL QG 0.000 . 7.400 4.776 4.109 5.569 . 0 0 "[ . 1 ]" 1
3 1 2 CYS QB 1 98 VAL QG 0.000 . 8.400 3.931 2.177 5.015 . 0 0 "[ . 1 ]" 1
4 1 3 PRO QD 1 21 PRO QB 0.000 . 7.000 5.400 4.953 5.560 . 0 0 "[ . 1 ]" 1
5 1 3 PRO QD 1 23 ASN QB 0.000 . 7.000 2.809 2.117 4.119 . 0 0 "[ . 1 ]" 1
6 1 3 PRO QG 1 23 ASN QB 0.000 . 7.000 3.000 2.088 4.065 . 0 0 "[ . 1 ]" 1
7 1 3 PRO QG 1 5 SER QB 0.000 . 7.000 4.668 3.985 5.294 . 0 0 "[ . 1 ]" 1
8 1 7 GLU QG 1 103 PHE QD 0.000 . 6.300 3.358 1.955 4.310 . 0 0 "[ . 1 ]" 1
9 1 7 GLU QB 1 8 GLU HA 0.000 . 6.000 4.412 3.948 4.859 . 0 0 "[ . 1 ]" 1
10 1 8 GLU HA 1 9 VAL MG1 0.000 . 6.500 3.319 3.071 3.551 . 0 0 "[ . 1 ]" 1
11 1 7 GLU QB 1 8 GLU QB 0.000 . 7.000 4.839 4.465 5.456 . 0 0 "[ . 1 ]" 1
12 1 8 GLU QG 1 106 LEU MD2 0.000 . 7.500 4.367 3.199 6.358 . 0 0 "[ . 1 ]" 1
13 1 9 VAL HB 1 19 LEU MD1 0.000 . 6.500 4.910 4.158 5.400 . 0 0 "[ . 1 ]" 1
14 1 9 VAL HB 1 105 LEU HA 0.000 . 5.000 5.108 5.041 5.180 0.180 14 0 "[ . 1 ]" 1
15 1 9 VAL HB 1 105 LEU MD1 0.000 . 4.800 3.823 3.580 3.986 . 0 0 "[ . 1 ]" 1
16 1 9 VAL MG2 1 17 VAL MG2 0.000 . 5.900 2.587 2.131 3.326 . 0 0 "[ . 1 ]" 1
17 1 9 VAL MG2 1 19 LEU MD1 0.000 . 8.000 4.065 3.577 4.715 . 0 0 "[ . 1 ]" 1
18 1 9 VAL MG2 1 105 LEU HA 0.000 . 6.500 3.009 2.104 3.681 . 0 0 "[ . 1 ]" 1
19 1 9 VAL MG2 1 105 LEU MD1 0.000 . 6.300 1.877 1.711 2.107 . 0 0 "[ . 1 ]" 1
20 1 7 GLU QG 1 9 VAL MG1 0.000 . 5.800 3.564 2.428 4.402 . 0 0 "[ . 1 ]" 1
21 1 9 VAL MG1 1 17 VAL MG2 0.000 . 6.300 3.473 2.983 4.293 . 0 0 "[ . 1 ]" 1
22 1 9 VAL MG1 1 19 LEU HA 0.000 . 6.500 5.480 5.326 5.581 . 0 0 "[ . 1 ]" 1
23 1 9 VAL MG1 1 19 LEU MD1 0.000 . 5.900 3.224 2.819 3.466 . 0 0 "[ . 1 ]" 1
24 1 9 VAL MG1 1 103 PHE QB 0.000 . 5.800 3.201 2.914 3.452 . 0 0 "[ . 1 ]" 1
25 1 9 VAL MG1 1 103 PHE QD 0.000 . 6.400 3.141 2.375 3.964 . 0 0 "[ . 1 ]" 1
26 1 9 VAL MG1 1 105 LEU HA 0.000 . 4.800 2.840 2.176 3.825 . 0 0 "[ . 1 ]" 1
27 1 9 VAL MG1 1 105 LEU MD1 0.000 . 6.500 2.476 1.796 3.568 . 0 0 "[ . 1 ]" 1
28 1 10 VAL HA 1 11 GLY QA 0.000 . 6.000 3.913 3.871 3.932 . 0 0 "[ . 1 ]" 1
29 1 10 VAL HA 1 107 ILE MG 0.000 . 6.500 3.536 2.733 4.901 . 0 0 "[ . 1 ]" 1
30 1 10 VAL MG2 1 11 GLY QA 0.000 . 5.800 3.204 3.052 3.372 . 0 0 "[ . 1 ]" 1
31 1 10 VAL MG2 1 106 LEU QB 0.000 . 5.800 3.596 3.143 3.969 . 0 0 "[ . 1 ]" 1
32 1 10 VAL MG2 1 106 LEU HG 0.000 . 6.500 4.163 3.096 5.042 . 0 0 "[ . 1 ]" 1
33 1 10 VAL MG2 1 107 ILE QG 0.000 . 7.500 5.279 3.938 5.563 . 0 0 "[ . 1 ]" 1
34 1 9 VAL HA 1 10 VAL MG1 0.000 . 4.800 3.706 3.256 3.771 . 0 0 "[ . 1 ]" 1
35 1 10 VAL MG1 1 107 ILE MG 0.000 . 8.000 4.938 4.442 5.428 . 0 0 "[ . 1 ]" 1
36 1 9 VAL MG2 1 11 GLY QA 0.000 . 7.500 4.046 3.762 4.536 . 0 0 "[ . 1 ]" 1
37 1 11 GLY QA 1 12 VAL MG2 0.000 . 7.500 4.041 2.775 5.008 . 0 0 "[ . 1 ]" 1
38 1 11 GLY QA 1 107 ILE MD 0.000 . 5.800 3.841 3.586 4.031 . 0 0 "[ . 1 ]" 1
39 1 12 VAL MG2 1 13 SER QB 0.000 . 7.500 3.943 2.548 5.397 . 0 0 "[ . 1 ]" 1
40 1 12 VAL MG2 1 15 LYS QE 0.000 . 7.500 5.407 3.783 6.626 . 0 0 "[ . 1 ]" 1
41 1 13 SER QB 1 79 ALA MB 0.000 . 7.500 4.790 4.210 5.245 . 0 0 "[ . 1 ]" 1
42 1 13 SER QB 1 80 LYS HA 0.000 . 6.000 3.937 3.636 4.382 . 0 0 "[ . 1 ]" 1
43 1 13 SER QB 1 80 LYS QB 0.000 . 7.000 5.485 5.170 5.703 . 0 0 "[ . 1 ]" 1
44 1 13 SER QB 1 109 ASP HA 0.000 . 6.000 3.513 2.290 5.242 . 0 0 "[ . 1 ]" 1
45 1 15 LYS HA 1 16 PRO QD 0.000 . 4.300 2.427 2.188 2.630 . 0 0 "[ . 1 ]" 1
46 1 15 LYS QB 1 16 PRO QD 0.000 . 7.000 3.738 3.656 3.854 . 0 0 "[ . 1 ]" 1
47 1 15 LYS QE 1 16 PRO QD 0.000 . 7.000 4.173 3.074 5.276 . 0 0 "[ . 1 ]" 1
48 1 15 LYS QG 1 16 PRO HA 0.000 . 6.000 4.397 3.633 4.760 . 0 0 "[ . 1 ]" 1
49 1 15 LYS QG 1 16 PRO QD 0.000 . 7.000 4.351 3.559 4.669 . 0 0 "[ . 1 ]" 1
50 1 15 LYS QG 1 17 VAL MG2 0.000 . 7.500 4.488 3.580 5.594 . 0 0 "[ . 1 ]" 1
51 1 16 PRO HA 1 16 PRO QD 0.000 . 4.300 3.416 3.362 3.539 . 0 0 "[ . 1 ]" 1
52 1 16 PRO HA 1 77 LYS HA 0.000 . 2.900 2.806 2.655 2.984 0.084 1 0 "[ . 1 ]" 1
53 1 14 GLY QA 1 16 PRO QD 0.000 . 7.000 2.630 2.307 3.162 . 0 0 "[ . 1 ]" 1
54 1 16 PRO QG 1 77 LYS QB 0.000 . 7.000 5.439 5.149 5.594 . 0 0 "[ . 1 ]" 1
55 1 16 PRO QG 1 77 LYS QG 0.000 . 7.000 4.830 4.034 5.619 . 0 0 "[ . 1 ]" 1
56 1 16 PRO HA 1 17 VAL HA 0.000 . 5.000 4.463 4.428 4.559 . 0 0 "[ . 1 ]" 1
57 1 16 PRO QG 1 17 VAL HA 0.000 . 6.000 5.236 4.803 5.376 . 0 0 "[ . 1 ]" 1
58 1 15 LYS QG 1 17 VAL HB 0.000 . 6.000 3.438 2.148 4.630 . 0 0 "[ . 1 ]" 1
59 1 17 VAL MG1 1 19 LEU MD1 0.000 . 8.000 2.391 1.937 3.577 . 0 0 "[ . 1 ]" 1
60 1 16 PRO QD 1 17 VAL MG2 0.000 . 7.500 5.535 4.680 5.894 . 0 0 "[ . 1 ]" 1
61 1 17 VAL MG2 1 19 LEU MD2 0.000 . 8.000 5.172 4.651 5.760 . 0 0 "[ . 1 ]" 1
62 1 17 VAL MG2 1 19 LEU MD1 0.000 . 6.300 3.235 2.665 4.284 . 0 0 "[ . 1 ]" 1
63 1 17 VAL MG2 1 76 ILE HB 0.000 . 6.500 4.609 4.389 4.846 . 0 0 "[ . 1 ]" 1
64 1 18 GLN HA 1 75 SER HA 0.000 . 2.900 2.198 2.108 2.662 . 0 0 "[ . 1 ]" 1
65 1 18 GLN HA 1 75 SER QB 0.000 . 6.000 2.659 2.141 3.029 . 0 0 "[ . 1 ]" 1
66 1 18 GLN QB 1 75 SER HA 0.000 . 6.000 4.317 4.117 4.816 . 0 0 "[ . 1 ]" 1
67 1 18 GLN QB 1 75 SER QB 0.000 . 7.000 3.725 3.327 4.356 . 0 0 "[ . 1 ]" 1
68 1 18 GLN QG 1 75 SER HA 0.000 . 6.000 3.762 3.229 4.483 . 0 0 "[ . 1 ]" 1
69 1 18 GLN QG 1 75 SER QB 0.000 . 5.300 3.073 2.159 4.191 . 0 0 "[ . 1 ]" 1
70 1 19 LEU HA 1 19 LEU MD1 0.000 . 4.800 2.130 2.001 2.315 . 0 0 "[ . 1 ]" 1
71 1 19 LEU QB 1 33 TRP HH2 0.000 . 6.000 5.205 4.902 5.556 . 0 0 "[ . 1 ]" 1
72 1 19 LEU MD2 1 75 SER HA 0.000 . 6.500 4.839 4.416 5.255 . 0 0 "[ . 1 ]" 1
73 1 19 LEU MD2 1 87 TYR QB 0.000 . 5.800 2.965 2.634 3.336 . 0 0 "[ . 1 ]" 1
74 1 19 LEU MD2 1 87 TYR QD 0.000 . 6.800 2.089 1.893 2.298 . 0 0 "[ . 1 ]" 1
75 1 19 LEU MD1 1 103 PHE HA 0.000 . 6.500 4.919 4.283 5.319 . 0 0 "[ . 1 ]" 1
76 1 19 LEU MD1 1 103 PHE HB3 0.000 . 4.800 2.925 2.300 3.324 . 0 0 "[ . 1 ]" 1
77 1 19 LEU MD1 1 103 PHE HB2 0.000 . 4.800 3.500 2.656 3.914 . 0 0 "[ . 1 ]" 1
78 1 19 LEU MD1 1 103 PHE QD 0.000 . 6.400 3.164 2.457 3.752 . 0 0 "[ . 1 ]" 1
79 1 20 ARG HA 1 21 PRO QD 0.000 . 6.000 1.995 1.967 2.140 . 0 0 "[ . 1 ]" 1
80 1 20 ARG HA 1 73 ALA HA 0.000 . 2.900 2.129 1.980 2.286 . 0 0 "[ . 1 ]" 1
81 1 20 ARG HA 1 73 ALA MB 0.000 . 6.500 3.300 2.678 3.892 . 0 0 "[ . 1 ]" 1
82 1 20 ARG QD 1 73 ALA MB 0.000 . 7.500 3.967 2.692 5.237 . 0 0 "[ . 1 ]" 1
83 1 21 PRO HA 1 24 ILE MG 0.000 . 6.500 5.396 5.239 5.516 . 0 0 "[ . 1 ]" 1
84 1 18 GLN QG 1 73 ALA MB 0.000 . 5.800 3.680 3.389 4.216 . 0 0 "[ . 1 ]" 1
85 1 20 ARG QB 1 21 PRO QB 0.000 . 7.000 5.441 5.287 5.714 . 0 0 "[ . 1 ]" 1
86 1 21 PRO QB 1 24 ILE MG 0.000 . 7.500 3.552 3.168 3.731 . 0 0 "[ . 1 ]" 1
87 1 20 ARG QB 1 21 PRO QD 0.000 . 7.000 3.595 3.464 3.748 . 0 0 "[ . 1 ]" 1
88 1 21 PRO QD 1 73 ALA HA 0.000 . 4.300 2.428 2.145 3.448 . 0 0 "[ . 1 ]" 1
89 1 21 PRO QD 1 89 LEU MD2 0.000 . 7.500 3.868 3.409 4.475 . 0 0 "[ . 1 ]" 1
90 1 21 PRO QG 1 24 ILE MG 0.000 . 7.500 4.785 4.197 5.023 . 0 0 "[ . 1 ]" 1
91 1 3 PRO QB 1 23 ASN QB 0.000 . 7.000 4.682 3.946 5.594 . 0 0 "[ . 1 ]" 1
92 1 24 ILE MD 1 25 GLN HA 0.000 . 6.500 4.334 2.971 5.504 . 0 0 "[ . 1 ]" 1
93 1 24 ILE MD 1 27 LYS QG 0.000 . 7.500 4.399 3.223 5.703 . 0 0 "[ . 1 ]" 1
94 1 24 ILE MD 1 71 ASP HA 0.000 . 6.500 4.245 2.499 5.384 . 0 0 "[ . 1 ]" 1
95 1 24 ILE MD 1 71 ASP QB 0.000 . 7.500 4.389 2.420 5.581 . 0 0 "[ . 1 ]" 1
96 1 24 ILE MD 1 72 PHE QB 0.000 . 7.500 4.209 2.361 5.371 . 0 0 "[ . 1 ]" 1
97 1 24 ILE MD 1 72 PHE QD 0.000 . 6.800 2.971 1.925 3.932 . 0 0 "[ . 1 ]" 1
98 1 24 ILE MD 1 72 PHE QE 0.000 . 6.800 2.631 1.951 3.763 . 0 0 "[ . 1 ]" 1
99 1 24 ILE QG 1 26 THR MG 0.000 . 7.500 3.177 2.047 5.193 . 0 0 "[ . 1 ]" 1
100 1 24 ILE MG 1 26 THR MG 0.000 . 6.300 3.400 2.419 4.349 . 0 0 "[ . 1 ]" 1
101 1 24 ILE MG 1 27 LYS QG 0.000 . 7.500 5.493 4.996 5.630 . 0 0 "[ . 1 ]" 1
102 1 24 ILE MG 1 71 ASP HA 0.000 . 6.500 5.035 4.173 5.380 . 0 0 "[ . 1 ]" 1
103 1 24 ILE MG 1 72 PHE QD 0.000 . 6.400 2.474 2.042 3.210 . 0 0 "[ . 1 ]" 1
104 1 24 ILE MG 1 72 PHE HZ 0.000 . 6.500 4.448 3.286 5.360 . 0 0 "[ . 1 ]" 1
105 1 24 ILE MG 1 91 ILE HB 0.000 . 6.500 5.183 4.605 5.426 . 0 0 "[ . 1 ]" 1
106 1 24 ILE MG 1 91 ILE MG 0.000 . 8.000 4.497 3.824 5.330 . 0 0 "[ . 1 ]" 1
107 1 26 THR HA 1 29 VAL QG 0.000 . 7.400 3.295 1.754 4.571 . 0 0 "[ . 1 ]" 1
108 1 26 THR HA 1 72 PHE QE 0.000 . 7.000 3.434 2.139 5.594 . 0 0 "[ . 1 ]" 1
109 1 26 THR HA 1 72 PHE HZ 0.000 . 5.000 3.719 2.281 5.098 0.098 4 0 "[ . 1 ]" 1
110 1 26 THR HB 1 72 PHE HZ 0.000 . 5.000 4.588 2.580 5.144 0.144 10 0 "[ . 1 ]" 1
111 1 24 ILE HB 1 26 THR MG 0.000 . 6.500 4.176 2.115 5.384 . 0 0 "[ . 1 ]" 1
112 1 24 ILE MD 1 26 THR MG 0.000 . 6.300 2.940 1.795 4.304 . 0 0 "[ . 1 ]" 1
113 1 26 THR MG 1 72 PHE QE 0.000 . 6.400 3.052 1.912 4.175 . 0 0 "[ . 1 ]" 1
114 1 26 THR MG 1 72 PHE HZ 0.000 . 6.500 4.049 2.064 5.371 . 0 0 "[ . 1 ]" 1
115 1 26 THR MG 1 72 PHE QD 0.000 . 6.800 3.965 3.366 4.990 . 0 0 "[ . 1 ]" 1
116 1 26 THR MG 1 27 LYS QE 0.000 . 7.500 5.207 4.301 5.563 . 0 0 "[ . 1 ]" 1
117 1 28 ASP QB 1 29 VAL HA 0.000 . 6.000 4.441 4.114 4.718 . 0 0 "[ . 1 ]" 1
118 1 27 LYS QB 1 29 VAL QG 0.000 . 8.400 3.741 2.474 4.912 . 0 0 "[ . 1 ]" 1
119 1 28 ASP QB 1 29 VAL QG 0.000 . 8.400 3.784 3.171 4.781 . 0 0 "[ . 1 ]" 1
120 1 30 SER HA 1 31 VAL HB 0.000 . 5.000 4.904 4.665 5.050 0.050 12 0 "[ . 1 ]" 1
121 1 30 SER HA 1 50 TYR HA 0.000 . 3.300 2.877 2.454 3.305 0.005 13 0 "[ . 1 ]" 1
122 1 29 VAL QG 1 30 SER QB 0.000 . 8.400 4.129 3.163 4.809 . 0 0 "[ . 1 ]" 1
123 1 30 SER QB 1 50 TYR QB 0.000 . 7.000 3.834 2.506 5.025 . 0 0 "[ . 1 ]" 1
124 1 30 SER QB 1 50 TYR QD 0.000 . 8.000 3.290 2.355 4.901 . 0 0 "[ . 1 ]" 1
125 1 31 VAL HA 1 91 ILE HA 0.000 . 3.300 2.790 2.541 3.124 . 0 0 "[ . 1 ]" 1
126 1 31 VAL HB 1 89 LEU MD1 0.000 . 6.500 4.688 4.171 5.347 . 0 0 "[ . 1 ]" 1
127 1 30 SER HA 1 31 VAL MG2 0.000 . 4.800 3.169 2.954 3.315 . 0 0 "[ . 1 ]" 1
128 1 31 VAL MG2 1 49 TRP QB 0.000 . 5.800 2.474 2.104 2.915 . 0 0 "[ . 1 ]" 1
129 1 31 VAL MG2 1 49 TRP HD1 0.000 . 6.500 4.818 4.387 5.282 . 0 0 "[ . 1 ]" 1
130 1 31 VAL MG2 1 49 TRP HE3 0.000 . 4.800 2.388 2.153 2.750 . 0 0 "[ . 1 ]" 1
131 1 31 VAL MG2 1 49 TRP HZ3 0.000 . 4.800 3.565 3.053 3.852 . 0 0 "[ . 1 ]" 1
132 1 31 VAL MG2 1 50 TYR HA 0.000 . 6.500 5.035 4.733 5.355 . 0 0 "[ . 1 ]" 1
133 1 31 VAL MG2 1 72 PHE QB 0.000 . 5.800 3.991 3.345 4.183 . 0 0 "[ . 1 ]" 1
134 1 31 VAL MG2 1 72 PHE QD 0.000 . 6.400 2.393 2.116 3.033 . 0 0 "[ . 1 ]" 1
135 1 31 VAL MG2 1 72 PHE QE 0.000 . 6.800 2.224 1.902 3.184 . 0 0 "[ . 1 ]" 1
136 1 31 VAL MG2 1 72 PHE HZ 0.000 . 6.500 3.863 2.866 4.678 . 0 0 "[ . 1 ]" 1
137 1 31 VAL MG2 1 89 LEU MD1 0.000 . 8.000 4.194 3.972 4.808 . 0 0 "[ . 1 ]" 1
138 1 31 VAL MG2 1 91 ILE HA 0.000 . 6.500 4.170 3.880 4.550 . 0 0 "[ . 1 ]" 1
139 1 31 VAL MG2 1 91 ILE MD 0.000 . 6.300 2.781 2.026 3.518 . 0 0 "[ . 1 ]" 1
140 1 31 VAL MG2 1 91 ILE MG 0.000 . 8.000 4.197 3.119 5.291 . 0 0 "[ . 1 ]" 1
141 1 31 VAL MG1 1 32 GLN HA 0.000 . 6.500 3.720 3.375 3.953 . 0 0 "[ . 1 ]" 1
142 1 31 VAL MG1 1 32 GLN QB 0.000 . 7.500 4.396 4.200 4.630 . 0 0 "[ . 1 ]" 1
143 1 31 VAL MG1 1 33 TRP HD1 0.000 . 4.800 3.636 3.400 3.810 . 0 0 "[ . 1 ]" 1
144 1 31 VAL MG1 1 47 LEU MD2 0.000 . 6.800 3.902 3.292 4.306 . 0 0 "[ . 1 ]" 1
145 1 31 VAL MG1 1 49 TRP QB 0.000 . 7.500 3.378 3.198 3.485 . 0 0 "[ . 1 ]" 1
146 1 31 VAL MG1 1 49 TRP HD1 0.000 . 6.500 5.456 5.312 5.655 . 0 0 "[ . 1 ]" 1
147 1 31 VAL MG1 1 49 TRP HE3 0.000 . 6.500 4.850 4.259 5.081 . 0 0 "[ . 1 ]" 1
148 1 31 VAL MG1 1 72 PHE QE 0.000 . 8.500 3.907 3.298 4.944 . 0 0 "[ . 1 ]" 1
149 1 31 VAL MG1 1 67 PHE QD 0.000 . 6.800 4.193 3.859 4.565 . 0 0 "[ . 1 ]" 1
150 1 31 VAL MG1 1 74 LEU MD2 0.000 . 8.000 5.083 4.202 5.414 . 0 0 "[ . 1 ]" 1
151 1 31 VAL MG1 1 89 LEU MD1 0.000 . 5.900 2.288 2.011 2.918 . 0 0 "[ . 1 ]" 1
152 1 31 VAL MG1 1 89 LEU HG 0.000 . 6.500 4.202 3.783 5.258 . 0 0 "[ . 1 ]" 1
153 1 31 VAL MG1 1 91 ILE HA 0.000 . 4.800 3.807 3.585 3.981 . 0 0 "[ . 1 ]" 1
154 1 31 VAL MG1 1 91 ILE MD 0.000 . 6.300 3.221 2.098 4.091 . 0 0 "[ . 1 ]" 1
155 1 31 VAL MG1 1 91 ILE MG 0.000 . 8.000 4.678 3.790 5.347 . 0 0 "[ . 1 ]" 1
156 1 32 GLN HA 1 48 ASN HA 0.000 . 2.900 2.613 2.433 2.769 . 0 0 "[ . 1 ]" 1
157 1 32 GLN HA 1 48 ASN QB 0.000 . 6.000 4.485 4.169 4.861 . 0 0 "[ . 1 ]" 1
158 1 32 GLN QG 1 48 ASN HA 0.000 . 6.000 2.630 1.938 3.134 . 0 0 "[ . 1 ]" 1
159 1 33 TRP HA 1 89 LEU HA 0.000 . 3.300 2.760 2.294 3.039 . 0 0 "[ . 1 ]" 1
160 1 33 TRP HA 1 89 LEU QB 0.000 . 6.000 4.897 4.063 5.167 . 0 0 "[ . 1 ]" 1
161 1 33 TRP QB 1 89 LEU HG 0.000 . 4.300 3.989 3.898 4.152 . 0 0 "[ . 1 ]" 1
162 1 33 TRP HA 1 89 LEU MD1 0.000 . 6.500 3.481 3.028 5.175 . 0 0 "[ . 1 ]" 1
163 1 33 TRP QB 1 46 ILE HB 0.000 . 6.000 4.539 4.428 4.670 . 0 0 "[ . 1 ]" 1
164 1 33 TRP QB 1 46 ILE MD 0.000 . 7.500 5.325 5.040 5.480 . 0 0 "[ . 1 ]" 1
165 1 33 TRP QB 1 46 ILE MG 0.000 . 5.800 4.340 4.234 4.454 . 0 0 "[ . 1 ]" 1
166 1 33 TRP QB 1 89 LEU MD1 0.000 . 5.800 2.166 2.033 3.183 . 0 0 "[ . 1 ]" 1
167 1 34 LYS HA 1 45 GLU HA 0.000 . 3.300 2.852 2.549 3.133 . 0 0 "[ . 1 ]" 1
168 1 34 LYS HA 1 46 ILE HA 0.000 . 5.000 5.207 5.094 5.310 0.310 10 0 "[ . 1 ]" 1
169 1 34 LYS HA 1 46 ILE MD 0.000 . 6.500 4.085 3.884 4.339 . 0 0 "[ . 1 ]" 1
170 1 34 LYS HA 1 46 ILE QG 0.000 . 6.000 2.397 2.217 2.652 . 0 0 "[ . 1 ]" 1
171 1 34 LYS QB 1 45 GLU HA 0.000 . 6.000 2.315 2.134 2.774 . 0 0 "[ . 1 ]" 1
172 1 34 LYS QD 1 45 GLU HA 0.000 . 6.000 3.698 3.116 4.358 . 0 0 "[ . 1 ]" 1
173 1 34 LYS QD 1 45 GLU QG 0.000 . 7.000 4.274 3.048 5.041 . 0 0 "[ . 1 ]" 1
174 1 34 LYS QG 1 45 GLU HA 0.000 . 6.000 3.360 2.171 4.603 . 0 0 "[ . 1 ]" 1
175 1 35 LYS HA 1 87 TYR HA 0.000 . 2.900 2.536 2.292 2.914 0.014 8 0 "[ . 1 ]" 1
176 1 35 LYS HA 1 87 TYR QB 0.000 . 6.000 4.523 4.127 4.941 . 0 0 "[ . 1 ]" 1
177 1 35 LYS HA 1 87 TYR QD 0.000 . 7.000 3.932 3.707 4.120 . 0 0 "[ . 1 ]" 1
178 1 35 LYS QB 1 37 GLU QB 0.000 . 7.000 4.342 2.713 4.957 . 0 0 "[ . 1 ]" 1
179 1 36 THR HA 1 43 LYS HA 0.000 . 2.900 2.406 2.153 2.715 . 0 0 "[ . 1 ]" 1
180 1 36 THR HB 1 86 HIS QB 0.000 . 6.000 2.573 2.148 2.978 . 0 0 "[ . 1 ]" 1
181 1 36 THR MG 1 41 HIS QB 0.000 . 7.500 4.986 2.560 5.501 . 0 0 "[ . 1 ]" 1
182 1 36 THR MG 1 86 HIS QB 0.000 . 5.800 3.804 3.190 4.052 . 0 0 "[ . 1 ]" 1
183 1 36 THR MG 1 43 LYS HA 0.000 . 6.500 3.476 3.128 3.802 . 0 0 "[ . 1 ]" 1
184 1 36 THR MG 1 43 LYS QB 0.000 . 7.500 3.967 2.500 4.606 . 0 0 "[ . 1 ]" 1
185 1 36 THR MG 1 43 LYS QE 0.000 . 7.500 2.864 1.979 4.215 . 0 0 "[ . 1 ]" 1
186 1 37 GLU HA 1 85 GLY QA 0.000 . 3.900 2.521 2.087 2.820 . 0 0 "[ . 1 ]" 1
187 1 37 GLU QB 1 44 ILE MD 0.000 . 7.500 4.025 2.907 5.134 . 0 0 "[ . 1 ]" 1
188 1 37 GLU QG 1 44 ILE MD 0.000 . 7.500 3.049 2.060 4.816 . 0 0 "[ . 1 ]" 1
189 1 37 GLU QG 1 43 LYS QE 0.000 . 7.000 5.340 4.757 5.616 . 0 0 "[ . 1 ]" 1
190 1 35 LYS QE 1 44 ILE MD 0.000 . 7.500 4.026 2.593 5.382 . 0 0 "[ . 1 ]" 1
191 1 35 LYS QG 1 44 ILE MG 0.000 . 5.800 3.542 3.102 3.899 . 0 0 "[ . 1 ]" 1
192 1 35 LYS QE 1 44 ILE MG 0.000 . 5.800 3.816 3.331 4.299 . 0 0 "[ . 1 ]" 1
193 1 44 ILE MG 1 46 ILE HA 0.000 . 6.500 2.539 2.118 2.755 . 0 0 "[ . 1 ]" 1
194 1 44 ILE MG 1 46 ILE HB 0.000 . 6.500 3.949 3.759 4.293 . 0 0 "[ . 1 ]" 1
195 1 44 ILE MG 1 46 ILE MG 0.000 . 8.000 3.619 3.306 3.935 . 0 0 "[ . 1 ]" 1
196 1 44 ILE MG 1 61 PHE QE 0.000 . 6.800 3.082 2.582 3.724 . 0 0 "[ . 1 ]" 1
197 1 44 ILE MG 1 61 PHE HZ 0.000 . 4.400 3.127 2.098 3.660 . 0 0 "[ . 1 ]" 1
198 1 45 GLU QB 1 57 SER QB 0.000 . 7.000 2.272 1.923 3.168 . 0 0 "[ . 1 ]" 1
199 1 34 LYS QG 1 45 GLU QG 0.000 . 7.000 4.779 3.482 5.504 . 0 0 "[ . 1 ]" 1
200 1 44 ILE QG 1 45 GLU QG 0.000 . 7.000 5.127 4.224 5.588 . 0 0 "[ . 1 ]" 1
201 1 46 ILE HA 1 56 TRP HE3 0.000 . 5.000 4.308 4.115 4.732 . 0 0 "[ . 1 ]" 1
202 1 46 ILE HA 1 57 SER QB 0.000 . 6.000 4.232 2.983 5.340 . 0 0 "[ . 1 ]" 1
203 1 46 ILE HA 1 61 PHE QD 0.000 . 7.000 4.725 4.378 5.517 . 0 0 "[ . 1 ]" 1
204 1 46 ILE HA 1 61 PHE QE 0.000 . 4.900 2.532 2.155 3.542 . 0 0 "[ . 1 ]" 1
205 1 35 LYS QD 1 46 ILE MD 0.000 . 5.800 2.151 1.864 3.269 . 0 0 "[ . 1 ]" 1
206 1 35 LYS QE 1 46 ILE MD 0.000 . 5.800 1.976 1.762 2.456 . 0 0 "[ . 1 ]" 1
207 1 35 LYS HA 1 46 ILE MD 0.000 . 6.500 5.321 5.078 5.564 . 0 0 "[ . 1 ]" 1
208 1 35 LYS QG 1 46 ILE MD 0.000 . 5.800 2.250 2.067 2.521 . 0 0 "[ . 1 ]" 1
209 1 46 ILE MD 1 56 TRP HZ3 0.000 . 6.500 4.812 4.529 5.134 . 0 0 "[ . 1 ]" 1
210 1 46 ILE MD 1 65 TYR QD 0.000 . 6.400 3.498 3.301 3.635 . 0 0 "[ . 1 ]" 1
211 1 46 ILE MD 1 65 TYR QE 0.000 . 6.800 1.946 1.855 2.327 . 0 0 "[ . 1 ]" 1
212 1 46 ILE MD 1 74 LEU MD2 0.000 . 8.000 5.409 5.303 5.533 . 0 0 "[ . 1 ]" 1
213 1 33 TRP HE3 1 46 ILE MG 0.000 . 6.500 3.927 3.648 4.206 . 0 0 "[ . 1 ]" 1
214 1 46 ILE MG 1 74 LEU MD1 0.000 . 6.800 4.398 4.212 4.587 . 0 0 "[ . 1 ]" 1
215 1 46 ILE MG 1 47 LEU MD1 0.000 . 6.300 3.240 2.928 3.394 . 0 0 "[ . 1 ]" 1
216 1 46 ILE MG 1 56 TRP HA 0.000 . 6.500 4.358 3.670 4.614 . 0 0 "[ . 1 ]" 1
217 1 46 ILE MG 1 56 TRP QB 0.000 . 7.500 4.647 3.249 5.173 . 0 0 "[ . 1 ]" 1
218 1 46 ILE MG 1 56 TRP HE3 0.000 . 4.800 3.570 2.695 3.883 . 0 0 "[ . 1 ]" 1
219 1 46 ILE MG 1 56 TRP HH2 0.000 . 6.500 4.977 4.539 5.489 . 0 0 "[ . 1 ]" 1
220 1 46 ILE MG 1 56 TRP HZ3 0.000 . 6.500 3.402 3.124 3.730 . 0 0 "[ . 1 ]" 1
221 1 46 ILE MG 1 65 TYR QB 0.000 . 7.500 4.001 3.748 4.207 . 0 0 "[ . 1 ]" 1
222 1 46 ILE MG 1 65 TYR QD 0.000 . 6.800 2.523 2.414 2.701 . 0 0 "[ . 1 ]" 1
223 1 46 ILE MG 1 65 TYR QE 0.000 . 6.400 2.039 1.920 2.271 . 0 0 "[ . 1 ]" 1
224 1 46 ILE MG 1 76 ILE QG 0.000 . 7.500 5.307 4.995 5.412 . 0 0 "[ . 1 ]" 1
225 1 31 VAL HB 1 47 LEU MD2 0.000 . 6.500 3.621 3.338 3.907 . 0 0 "[ . 1 ]" 1
226 1 31 VAL MG2 1 47 LEU MD2 0.000 . 8.000 4.656 4.331 4.899 . 0 0 "[ . 1 ]" 1
227 1 32 GLN QG 1 47 LEU MD2 0.000 . 7.500 4.415 3.692 5.190 . 0 0 "[ . 1 ]" 1
228 1 47 LEU MD2 1 48 ASN HA 0.000 . 4.800 2.922 2.417 3.585 . 0 0 "[ . 1 ]" 1
229 1 47 LEU MD2 1 49 TRP QB 0.000 . 7.500 2.345 2.052 2.631 . 0 0 "[ . 1 ]" 1
230 1 33 TRP HD1 1 47 LEU MD2 0.000 . 4.800 2.964 2.100 3.884 . 0 0 "[ . 1 ]" 1
231 1 47 LEU MD2 1 67 PHE QB 0.000 . 5.800 3.842 3.269 4.173 . 0 0 "[ . 1 ]" 1
232 1 46 ILE MD 1 47 LEU MD1 0.000 . 8.000 5.416 5.157 5.550 . 0 0 "[ . 1 ]" 1
233 1 31 VAL HB 1 47 LEU MD1 0.000 . 6.500 5.301 4.928 5.459 . 0 0 "[ . 1 ]" 1
234 1 47 LEU MD1 1 56 TRP HA 0.000 . 5.000 4.153 4.060 4.272 . 0 0 "[ . 1 ]" 1
235 1 47 LEU MD1 1 56 TRP HH2 0.000 . 4.800 3.267 2.954 3.545 . 0 0 "[ . 1 ]" 1
236 1 47 LEU MD1 1 56 TRP HZ3 0.000 . 4.800 3.486 2.889 3.839 . 0 0 "[ . 1 ]" 1
237 1 32 GLN QB 1 48 ASN HA 0.000 . 6.000 2.917 2.489 3.893 . 0 0 "[ . 1 ]" 1
238 1 32 GLN QG 1 48 ASN QB 0.000 . 7.000 3.214 2.608 3.856 . 0 0 "[ . 1 ]" 1
239 1 31 VAL HB 1 49 TRP QB 0.000 . 6.000 1.949 1.876 2.032 . 0 0 "[ . 1 ]" 1
240 1 53 GLY QA 1 54 PRO QD 0.000 . 7.000 2.006 1.882 2.072 . 0 0 "[ . 1 ]" 1
241 1 53 GLY QA 1 54 PRO QG 0.000 . 7.000 3.846 3.711 3.909 . 0 0 "[ . 1 ]" 1
242 1 49 TRP HA 1 54 PRO HA 0.000 . 5.000 2.434 2.199 2.697 . 0 0 "[ . 1 ]" 1
243 1 49 TRP HD1 1 54 PRO HA 0.000 . 5.000 2.852 2.172 3.479 . 0 0 "[ . 1 ]" 1
244 1 49 TRP HD1 1 54 PRO QB 0.000 . 6.000 2.152 2.103 2.186 . 0 0 "[ . 1 ]" 1
245 1 49 TRP HD1 1 54 PRO QD 0.000 . 6.000 4.314 3.097 4.763 . 0 0 "[ . 1 ]" 1
246 1 56 TRP HA 1 57 SER HA 0.000 . 5.000 4.499 4.393 4.547 . 0 0 "[ . 1 ]" 1
247 1 57 SER QB 1 61 PHE QE 0.000 . 6.300 4.128 3.870 4.524 . 0 0 "[ . 1 ]" 1
248 1 58 ASN HA 1 59 VAL QG 0.000 . 7.400 3.277 2.807 5.075 . 0 0 "[ . 1 ]" 1
249 1 56 TRP QB 1 59 VAL HA 0.000 . 6.000 5.457 5.004 6.230 0.230 9 0 "[ . 1 ]" 1
250 1 60 SER HA 1 63 ASP QB 0.000 . 6.000 5.678 5.260 5.891 . 0 0 "[ . 1 ]" 1
251 1 59 VAL QG 1 60 SER QB 0.000 . 8.400 3.929 2.104 4.934 . 0 0 "[ . 1 ]" 1
252 1 60 SER QB 1 61 PHE QB 0.000 . 7.000 5.302 4.926 5.631 . 0 0 "[ . 1 ]" 1
253 1 60 SER QB 1 61 PHE QD 0.000 . 8.000 4.628 3.343 5.266 . 0 0 "[ . 1 ]" 1
254 1 63 ASP HA 1 78 SER HA 0.000 . 3.300 3.413 3.031 3.575 0.275 3 0 "[ . 1 ]" 1
255 1 63 ASP QB 1 64 ILE MG 0.000 . 7.500 5.249 3.980 5.591 . 0 0 "[ . 1 ]" 1
256 1 63 ASP QB 1 64 ILE HA 0.000 . 6.000 4.190 3.975 4.356 . 0 0 "[ . 1 ]" 1
257 1 61 PHE HA 1 64 ILE HB 0.000 . 5.000 2.795 1.991 5.042 0.042 10 0 "[ . 1 ]" 1
258 1 61 PHE HA 1 64 ILE MD 0.000 . 4.800 2.298 1.912 3.640 . 0 0 "[ . 1 ]" 1
259 1 63 ASP QB 1 64 ILE MD 0.000 . 7.500 4.064 3.339 5.618 . 0 0 "[ . 1 ]" 1
260 1 64 ILE MD 1 65 TYR QD 0.000 . 6.800 4.518 3.774 5.225 . 0 0 "[ . 1 ]" 1
261 1 64 ILE MD 1 65 TYR QE 0.000 . 6.800 3.837 2.823 5.192 . 0 0 "[ . 1 ]" 1
262 1 61 PHE HA 1 64 ILE QG 0.000 . 6.000 2.920 1.986 3.452 . 0 0 "[ . 1 ]" 1
263 1 63 ASP HA 1 64 ILE MG 0.000 . 6.500 5.042 4.586 5.215 . 0 0 "[ . 1 ]" 1
264 1 64 ILE MG 1 77 LYS QE 0.000 . 7.500 5.154 4.399 5.662 . 0 0 "[ . 1 ]" 1
265 1 64 ILE MG 1 65 TYR HA 0.000 . 6.500 3.766 3.454 4.837 . 0 0 "[ . 1 ]" 1
266 1 64 ILE MG 1 65 TYR QD 0.000 . 6.800 2.571 2.372 3.218 . 0 0 "[ . 1 ]" 1
267 1 64 ILE MG 1 65 TYR QE 0.000 . 6.800 2.982 2.450 3.311 . 0 0 "[ . 1 ]" 1
268 1 64 ILE QG 1 65 TYR HA 0.000 . 6.000 4.930 4.257 5.651 . 0 0 "[ . 1 ]" 1
269 1 65 TYR HA 1 74 LEU MD1 0.000 . 6.500 4.080 3.710 4.477 . 0 0 "[ . 1 ]" 1
270 1 65 TYR HA 1 76 ILE QG 0.000 . 6.000 3.748 3.613 3.883 . 0 0 "[ . 1 ]" 1
271 1 65 TYR HA 1 76 ILE HA 0.000 . 2.900 2.086 2.004 2.128 . 0 0 "[ . 1 ]" 1
272 1 65 TYR HA 1 76 ILE MG 0.000 . 5.000 4.083 3.834 4.286 . 0 0 "[ . 1 ]" 1
273 1 65 TYR QB 1 76 ILE QG 0.000 . 7.000 2.436 2.178 2.530 . 0 0 "[ . 1 ]" 1
274 1 65 TYR QB 1 76 ILE MD 0.000 . 7.500 3.713 3.616 3.802 . 0 0 "[ . 1 ]" 1
275 1 65 TYR QB 1 66 GLY QA 0.000 . 7.000 3.736 3.677 3.809 . 0 0 "[ . 1 ]" 1
276 1 67 PHE HA 1 74 LEU HA 0.000 . 2.900 2.193 2.118 2.454 . 0 0 "[ . 1 ]" 1
277 1 67 PHE HA 1 74 LEU MD1 0.000 . 6.500 4.493 4.011 5.064 . 0 0 "[ . 1 ]" 1
278 1 67 PHE QB 1 74 LEU HA 0.000 . 6.000 3.921 3.651 4.271 . 0 0 "[ . 1 ]" 1
279 1 67 PHE QB 1 74 LEU MD1 0.000 . 7.500 4.949 4.487 5.236 . 0 0 "[ . 1 ]" 1
280 1 67 PHE QD 1 69 TYR HA 0.000 . 7.000 4.509 3.958 6.334 . 0 0 "[ . 1 ]" 1
281 1 69 TYR HA 1 72 PHE HA 0.000 . 5.000 4.013 3.418 5.526 0.526 4 1 "[ +. 1 ]" 1
282 1 67 PHE QD 1 69 TYR QB 0.000 . 8.000 4.531 3.758 5.326 . 0 0 "[ . 1 ]" 1
283 1 26 THR MG 1 71 ASP HA 0.000 . 6.500 3.395 2.091 5.393 . 0 0 "[ . 1 ]" 1
284 1 21 PRO QD 1 72 PHE QB 0.000 . 7.000 3.012 2.193 3.448 . 0 0 "[ . 1 ]" 1
285 1 72 PHE QB 1 89 LEU MD2 0.000 . 7.500 5.095 3.954 5.544 . 0 0 "[ . 1 ]" 1
286 1 72 PHE QB 1 89 LEU MD1 0.000 . 7.500 4.098 3.174 4.568 . 0 0 "[ . 1 ]" 1
287 1 20 ARG QG 1 73 ALA HA 0.000 . 6.000 3.799 2.109 5.193 . 0 0 "[ . 1 ]" 1
288 1 21 PRO QG 1 73 ALA HA 0.000 . 6.000 4.273 3.920 5.394 . 0 0 "[ . 1 ]" 1
289 1 20 ARG QB 1 73 ALA MB 0.000 . 7.500 2.827 1.979 3.410 . 0 0 "[ . 1 ]" 1
290 1 20 ARG QG 1 73 ALA MB 0.000 . 7.500 3.313 1.965 4.880 . 0 0 "[ . 1 ]" 1
291 1 21 PRO QD 1 73 ALA MB 0.000 . 7.500 3.864 3.426 4.635 . 0 0 "[ . 1 ]" 1
292 1 74 LEU HA 1 74 LEU MD1 0.000 . 4.800 3.212 2.768 3.563 . 0 0 "[ . 1 ]" 1
293 1 33 TRP HZ3 1 74 LEU MD1 0.000 . 6.500 2.851 2.183 3.535 . 0 0 "[ . 1 ]" 1
294 1 65 TYR QB 1 74 LEU MD1 0.000 . 7.500 2.248 1.917 2.789 . 0 0 "[ . 1 ]" 1
295 1 65 TYR QD 1 74 LEU MD1 0.000 . 6.800 3.711 3.366 4.323 . 0 0 "[ . 1 ]" 1
296 1 67 PHE QD 1 74 LEU MD1 0.000 . 6.800 4.476 4.248 4.765 . 0 0 "[ . 1 ]" 1
297 1 74 LEU MD1 1 87 TYR QD 0.000 . 6.800 3.914 3.572 4.238 . 0 0 "[ . 1 ]" 1
298 1 74 LEU MD1 1 87 TYR QE 0.000 . 6.800 3.843 3.351 4.522 . 0 0 "[ . 1 ]" 1
299 1 65 TYR QD 1 76 ILE HA 0.000 . 7.000 2.235 2.157 2.627 . 0 0 "[ . 1 ]" 1
300 1 65 TYR QE 1 76 ILE HA 0.000 . 7.000 4.509 4.386 4.900 . 0 0 "[ . 1 ]" 1
301 1 33 TRP HH2 1 76 ILE MD 0.000 . 4.800 3.818 3.468 4.150 . 0 0 "[ . 1 ]" 1
302 1 65 TYR QD 1 76 ILE MD 0.000 . 6.800 2.043 1.957 2.486 . 0 0 "[ . 1 ]" 1
303 1 65 TYR QE 1 76 ILE MD 0.000 . 6.400 2.046 1.926 2.942 . 0 0 "[ . 1 ]" 1
304 1 74 LEU MD2 1 76 ILE MD 0.000 . 8.000 5.416 5.257 5.549 . 0 0 "[ . 1 ]" 1
305 1 76 ILE MD 1 78 SER HA 0.000 . 6.500 5.457 5.279 5.583 . 0 0 "[ . 1 ]" 1
306 1 76 ILE MD 1 83 ASP HA 0.000 . 4.400 2.874 2.109 3.579 . 0 0 "[ . 1 ]" 1
307 1 76 ILE MD 1 83 ASP QB 0.000 . 5.400 2.429 1.950 2.956 . 0 0 "[ . 1 ]" 1
308 1 65 TYR QD 1 76 ILE QG 0.000 . 6.300 2.156 2.059 2.283 . 0 0 "[ . 1 ]" 1
309 1 65 TYR QE 1 76 ILE QG 0.000 . 6.300 3.567 3.386 4.103 . 0 0 "[ . 1 ]" 1
310 1 17 VAL MG1 1 76 ILE MG 0.000 . 8.000 2.846 2.293 3.619 . 0 0 "[ . 1 ]" 1
311 1 64 ILE MG 1 76 ILE MG 0.000 . 8.000 5.481 5.331 5.584 . 0 0 "[ . 1 ]" 1
312 1 65 TYR QD 1 76 ILE MG 0.000 . 6.400 2.952 2.474 3.180 . 0 0 "[ . 1 ]" 1
313 1 65 TYR QE 1 76 ILE MG 0.000 . 6.400 3.816 3.478 3.881 . 0 0 "[ . 1 ]" 1
314 1 76 ILE MG 1 79 ALA MB 0.000 . 8.000 4.581 4.332 4.848 . 0 0 "[ . 1 ]" 1
315 1 17 VAL HB 1 76 ILE MG 0.000 . 4.800 3.949 3.766 4.009 . 0 0 "[ . 1 ]" 1
316 1 16 PRO QB 1 77 LYS HA 0.000 . 6.000 3.160 2.824 3.581 . 0 0 "[ . 1 ]" 1
317 1 77 LYS HA 1 77 LYS QE 0.000 . 6.000 4.607 4.277 5.210 . 0 0 "[ . 1 ]" 1
318 1 76 ILE MD 1 79 ALA HA 0.000 . 6.500 5.560 5.428 5.638 . 0 0 "[ . 1 ]" 1
319 1 76 ILE MG 1 79 ALA HA 0.000 . 4.800 4.147 3.899 4.288 . 0 0 "[ . 1 ]" 1
320 1 13 SER HA 1 79 ALA MB 0.000 . 4.800 3.898 3.680 4.082 . 0 0 "[ . 1 ]" 1
321 1 15 LYS HA 1 79 ALA MB 0.000 . 6.500 4.598 4.111 4.960 . 0 0 "[ . 1 ]" 1
322 1 80 LYS HA 1 81 LEU HA 0.000 . 5.000 4.291 4.238 4.351 . 0 0 "[ . 1 ]" 1
323 1 81 LEU HA 1 81 LEU MD1 0.000 . 4.800 2.161 1.971 2.481 . 0 0 "[ . 1 ]" 1
324 1 81 LEU HA 1 107 ILE HB 0.000 . 5.000 4.038 2.793 5.050 0.050 10 0 "[ . 1 ]" 1
325 1 81 LEU HA 1 107 ILE MG 0.000 . 4.800 4.073 3.691 4.272 . 0 0 "[ . 1 ]" 1
326 1 81 LEU QB 1 107 ILE MG 0.000 . 7.500 5.472 5.110 5.674 . 0 0 "[ . 1 ]" 1
327 1 41 HIS HD2 1 81 LEU MD1 0.000 . 6.500 5.042 4.155 5.443 . 0 0 "[ . 1 ]" 1
328 1 81 LEU MD1 1 108 LEU HA 0.000 . 6.500 2.943 1.897 4.872 . 0 0 "[ . 1 ]" 1
329 1 81 LEU MD1 1 107 ILE HB 0.000 . 6.500 3.748 2.290 4.918 . 0 0 "[ . 1 ]" 1
330 1 81 LEU MD1 1 107 ILE MD 0.000 . 6.200 2.931 2.276 3.556 . 0 0 "[ . 1 ]" 1
331 1 80 LYS QB 1 81 LEU HG 0.000 . 6.000 5.351 5.100 5.624 . 0 0 "[ . 1 ]" 1
332 1 81 LEU HA 1 82 GLN HA 0.000 . 5.000 4.828 4.740 4.891 . 0 0 "[ . 1 ]" 1
333 1 82 GLN QB 1 107 ILE MD 0.000 . 7.500 5.120 4.703 5.694 . 0 0 "[ . 1 ]" 1
334 1 84 SER HA 1 105 LEU QB 0.000 . 6.000 2.053 1.930 2.198 . 0 0 "[ . 1 ]" 1
335 1 84 SER HA 1 105 LEU MD1 0.000 . 6.500 3.895 3.673 4.193 . 0 0 "[ . 1 ]" 1
336 1 84 SER HA 1 105 LEU HG 0.000 . 5.000 4.353 4.017 5.115 0.115 12 0 "[ . 1 ]" 1
337 1 84 SER HA 1 107 ILE MD 0.000 . 6.500 2.995 2.437 3.867 . 0 0 "[ . 1 ]" 1
338 1 84 SER QB 1 106 LEU HA 0.000 . 6.000 2.752 2.181 3.394 . 0 0 "[ . 1 ]" 1
339 1 84 SER QB 1 106 LEU MD2 0.000 . 7.500 5.436 4.634 6.029 . 0 0 "[ . 1 ]" 1
340 1 86 HIS HA 1 86 HIS HD2 0.000 . 5.000 2.496 2.253 2.969 . 0 0 "[ . 1 ]" 1
341 1 86 HIS HA 1 87 TYR QD 0.000 . 7.000 3.408 3.290 3.586 . 0 0 "[ . 1 ]" 1
342 1 86 HIS HA 1 104 GLN HA 0.000 . 2.900 2.599 2.304 2.870 . 0 0 "[ . 1 ]" 1
343 1 86 HIS HA 1 104 GLN QB 0.000 . 6.000 4.140 3.504 4.598 . 0 0 "[ . 1 ]" 1
344 1 86 HIS HA 1 104 GLN QG 0.000 . 6.000 3.663 2.421 5.404 . 0 0 "[ . 1 ]" 1
345 1 86 HIS HA 1 87 TYR HA 0.000 . 5.000 4.457 4.435 4.496 . 0 0 "[ . 1 ]" 1
346 1 88 LEU HA 1 88 LEU MD1 0.000 . 4.800 2.887 1.895 3.638 . 0 0 "[ . 1 ]" 1
347 1 88 LEU HA 1 102 ASN HA 0.000 . 2.900 2.407 2.100 2.691 . 0 0 "[ . 1 ]" 1
348 1 88 LEU MD1 1 90 GLU QG 0.000 . 7.500 3.958 2.251 5.006 . 0 0 "[ . 1 ]" 1
349 1 88 LEU MD1 1 100 ASN QB 0.000 . 7.500 4.168 2.189 5.530 . 0 0 "[ . 1 ]" 1
350 1 88 LEU MD1 1 102 ASN HA 0.000 . 4.800 3.496 1.897 4.152 . 0 0 "[ . 1 ]" 1
351 1 88 LEU MD2 1 90 GLU QG 0.000 . 7.500 3.469 1.856 5.564 . 0 0 "[ . 1 ]" 1
352 1 88 LEU MD2 1 102 ASN QD 0.000 . 7.500 3.087 1.968 6.012 . 0 0 "[ . 1 ]" 1
353 1 88 LEU HG 1 90 GLU QG 0.000 . 6.000 4.496 2.673 5.212 . 0 0 "[ . 1 ]" 1
354 1 88 LEU HG 1 102 ASN QB 0.000 . 6.000 4.109 2.911 5.160 . 0 0 "[ . 1 ]" 1
355 1 89 LEU HA 1 89 LEU MD1 0.000 . 4.800 2.171 2.019 3.758 . 0 0 "[ . 1 ]" 1
356 1 21 PRO QG 1 89 LEU MD2 0.000 . 7.500 3.223 2.424 4.191 . 0 0 "[ . 1 ]" 1
357 1 33 TRP HD1 1 89 LEU MD2 0.000 . 6.500 3.970 3.731 4.234 . 0 0 "[ . 1 ]" 1
358 1 19 LEU MD2 1 89 LEU MD1 0.000 . 8.000 5.101 3.220 5.465 . 0 0 "[ . 1 ]" 1
359 1 89 LEU MD1 1 101 LYS QG 0.000 . 7.500 4.524 3.633 5.402 . 0 0 "[ . 1 ]" 1
360 1 88 LEU HA 1 89 LEU MD1 0.000 . 6.500 5.592 5.470 5.661 . 0 0 "[ . 1 ]" 1
361 1 89 LEU MD1 1 91 ILE HB 0.000 . 6.500 4.668 3.819 5.321 . 0 0 "[ . 1 ]" 1
362 1 90 GLU HA 1 100 ASN HA 0.000 . 3.300 3.123 2.655 3.334 0.034 13 0 "[ . 1 ]" 1
363 1 26 THR HA 1 91 ILE MD 0.000 . 6.500 4.926 4.138 5.345 . 0 0 "[ . 1 ]" 1
364 1 29 VAL HA 1 91 ILE MD 0.000 . 6.500 5.189 4.469 5.370 . 0 0 "[ . 1 ]" 1
365 1 72 PHE QE 1 91 ILE MD 0.000 . 6.400 2.598 1.937 3.475 . 0 0 "[ . 1 ]" 1
366 1 29 VAL HB 1 91 ILE MD 0.000 . 4.800 3.263 2.319 3.924 . 0 0 "[ . 1 ]" 1
367 1 88 LEU MD2 1 100 ASN QB 0.000 . 7.500 3.490 2.311 5.464 . 0 0 "[ . 1 ]" 1
368 1 88 LEU MD2 1 102 ASN HA 0.000 . 4.800 3.564 2.230 4.340 . 0 0 "[ . 1 ]" 1
369 1 88 LEU HG 1 102 ASN HA 0.000 . 5.000 3.744 2.567 5.124 0.124 1 0 "[ . 1 ]" 1
370 1 7 GLU QB 1 103 PHE HA 0.000 . 6.000 3.917 2.637 5.092 . 0 0 "[ . 1 ]" 1
371 1 7 GLU QG 1 103 PHE HA 0.000 . 6.000 4.346 3.000 5.407 . 0 0 "[ . 1 ]" 1
372 1 19 LEU MD1 1 103 PHE QB 0.000 . 7.500 2.783 2.169 3.120 . 0 0 "[ . 1 ]" 1
373 1 103 PHE QB 1 105 LEU HG 0.000 . 6.000 4.982 4.453 5.366 . 0 0 "[ . 1 ]" 1
374 1 86 HIS QB 1 104 GLN HA 0.000 . 6.000 4.427 3.921 4.770 . 0 0 "[ . 1 ]" 1
375 1 86 HIS HD2 1 104 GLN HA 0.000 . 5.000 3.261 2.649 3.562 . 0 0 "[ . 1 ]" 1
376 1 103 PHE HA 1 104 GLN HA 0.000 . 5.000 4.437 4.417 4.456 . 0 0 "[ . 1 ]" 1
377 1 104 GLN HA 1 105 LEU QB 0.000 . 6.000 4.142 4.030 4.300 . 0 0 "[ . 1 ]" 1
378 1 104 GLN HA 1 106 LEU QB 0.000 . 6.000 5.370 5.250 5.519 . 0 0 "[ . 1 ]" 1
379 1 105 LEU HA 1 105 LEU MD1 0.000 . 4.800 2.150 1.968 3.502 . 0 0 "[ . 1 ]" 1
380 1 87 TYR QE 1 105 LEU MD2 0.000 . 6.800 3.547 2.466 4.717 . 0 0 "[ . 1 ]" 1
381 1 105 LEU MD2 1 107 ILE MD 0.000 . 8.000 5.199 2.418 5.611 . 0 0 "[ . 1 ]" 1
382 1 105 LEU MD2 1 107 ILE MG 0.000 . 8.000 4.697 3.126 5.674 . 0 0 "[ . 1 ]" 1
383 1 103 PHE QD 1 105 LEU MD1 0.000 . 8.500 5.661 4.276 6.439 . 0 0 "[ . 1 ]" 1
384 1 105 LEU MD1 1 107 ILE MD 0.000 . 6.300 3.566 2.230 4.024 . 0 0 "[ . 1 ]" 1
385 1 106 LEU HA 1 106 LEU MD2 0.000 . 4.800 3.781 3.197 3.878 . 0 0 "[ . 1 ]" 1
386 1 105 LEU HA 1 106 LEU QB 0.000 . 6.000 4.083 3.798 4.480 . 0 0 "[ . 1 ]" 1
387 1 104 GLN QG 1 106 LEU MD2 0.000 . 7.500 5.148 2.232 7.041 . 0 0 "[ . 1 ]" 1
388 1 10 VAL MG2 1 107 ILE HA 0.000 . 6.500 3.131 2.627 3.479 . 0 0 "[ . 1 ]" 1
389 1 10 VAL MG1 1 107 ILE HA 0.000 . 6.500 5.370 5.117 5.479 . 0 0 "[ . 1 ]" 1
390 1 81 LEU MD1 1 107 ILE HA 0.000 . 6.500 4.697 4.282 5.373 . 0 0 "[ . 1 ]" 1
391 1 106 LEU HA 1 107 ILE HA 0.000 . 5.000 4.392 4.366 4.433 . 0 0 "[ . 1 ]" 1
392 1 107 ILE HA 1 107 ILE MD 0.000 . 4.800 4.024 3.674 4.122 . 0 0 "[ . 1 ]" 1
393 1 81 LEU HA 1 107 ILE MD 0.000 . 6.500 2.171 1.979 2.858 . 0 0 "[ . 1 ]" 1
394 1 83 ASP QB 1 107 ILE MD 0.000 . 7.500 2.237 1.769 3.561 . 0 0 "[ . 1 ]" 1
395 1 105 LEU QB 1 107 ILE MD 0.000 . 7.500 3.424 2.639 4.024 . 0 0 "[ . 1 ]" 1
396 1 81 LEU MD1 1 107 ILE MG 0.000 . 8.000 4.074 3.351 4.596 . 0 0 "[ . 1 ]" 1
397 1 105 LEU HA 1 107 ILE MG 0.000 . 6.500 4.269 3.386 5.877 . 0 0 "[ . 1 ]" 1
398 1 106 LEU HA 1 107 ILE MG 0.000 . 6.500 3.864 3.290 5.237 . 0 0 "[ . 1 ]" 1
399 1 108 LEU HA 1 108 LEU MD2 0.000 . 4.800 3.215 2.091 3.909 . 0 0 "[ . 1 ]" 1
400 1 81 LEU MD1 1 109 ASP HA 0.000 . 4.800 3.649 2.955 3.884 . 0 0 "[ . 1 ]" 1
401 1 49 TRP HA 1 49 TRP HD1 0.000 . 5.000 3.085 2.542 3.303 . 0 0 "[ . 1 ]" 1
402 1 47 LEU HA 1 56 TRP HA 0.000 . 5.000 2.516 2.123 2.793 . 0 0 "[ . 1 ]" 1
403 1 46 ILE MG 1 61 PHE QD 0.000 . 6.400 4.303 3.923 4.977 . 0 0 "[ . 1 ]" 1
404 1 46 ILE MG 1 61 PHE QE 0.000 . 6.400 2.826 2.493 3.413 . 0 0 "[ . 1 ]" 1
405 1 44 ILE MD 1 61 PHE QE 0.000 . 8.500 4.152 2.393 4.928 . 0 0 "[ . 1 ]" 1
406 1 61 PHE QE 1 65 TYR QE 0.000 . 7.300 2.712 2.386 3.396 . 0 0 "[ . 1 ]" 1
407 1 44 ILE MD 1 61 PHE HZ 0.000 . 6.500 4.821 3.479 5.495 . 0 0 "[ . 1 ]" 1
408 1 65 TYR QE 1 74 LEU MD2 0.000 . 7.500 5.247 5.027 5.665 . 0 0 "[ . 1 ]" 1
409 1 56 TRP HZ3 1 65 TYR QE 0.000 . 4.800 3.734 3.463 4.072 . 0 0 "[ . 1 ]" 1
410 1 65 TYR QE 1 87 TYR QE 0.000 . 9.000 4.678 3.924 6.053 . 0 0 "[ . 1 ]" 1
411 1 61 PHE QD 1 65 TYR QE 0.000 . 7.300 3.715 2.856 4.449 . 0 0 "[ . 1 ]" 1
412 1 33 TRP HH2 1 35 LYS QD 0.000 . 6.000 3.577 3.065 4.754 . 0 0 "[ . 1 ]" 1
413 1 19 LEU MD2 1 33 TRP HH2 0.000 . 6.500 4.219 3.892 4.438 . 0 0 "[ . 1 ]" 1
414 1 33 TRP HH2 1 47 LEU MD1 0.000 . 6.500 5.449 5.362 5.532 . 0 0 "[ . 1 ]" 1
415 1 33 TRP HH2 1 65 TYR QD 0.000 . 5.300 2.743 2.469 3.064 . 0 0 "[ . 1 ]" 1
416 1 33 TRP HH2 1 74 LEU MD1 0.000 . 4.800 2.159 1.987 2.465 . 0 0 "[ . 1 ]" 1
417 1 19 LEU MD2 1 33 TRP HZ3 0.000 . 4.800 3.142 2.663 3.541 . 0 0 "[ . 1 ]" 1
418 1 47 LEU MD2 1 49 TRP HD1 0.000 . 6.500 2.875 2.301 3.796 . 0 0 "[ . 1 ]" 1
419 1 19 LEU MD2 1 33 TRP HE3 0.000 . 6.500 3.740 3.326 4.121 . 0 0 "[ . 1 ]" 1
420 1 33 TRP HE3 1 74 LEU MD2 0.000 . 6.500 4.915 2.609 5.484 . 0 0 "[ . 1 ]" 1
421 1 33 TRP HE3 1 74 LEU MD1 0.000 . 6.500 4.141 3.719 4.701 . 0 0 "[ . 1 ]" 1
422 1 33 TRP HE3 1 74 LEU HG 0.000 . 5.000 4.393 3.640 5.372 0.372 4 0 "[ . 1 ]" 1
423 1 33 TRP HE3 1 87 TYR QD 0.000 . 5.300 3.593 2.970 4.719 . 0 0 "[ . 1 ]" 1
424 1 33 TRP HZ2 1 46 ILE MG 0.000 . 6.500 2.641 2.434 2.980 . 0 0 "[ . 1 ]" 1
425 1 33 TRP HD1 1 47 LEU MD1 0.000 . 4.800 3.996 3.779 4.082 . 0 0 "[ . 1 ]" 1
426 1 33 TRP HD1 1 47 LEU HG 0.000 . 5.000 5.107 5.022 5.193 0.193 11 0 "[ . 1 ]" 1
427 1 33 TRP HD1 1 49 TRP QB 0.000 . 6.000 4.850 4.523 5.117 . 0 0 "[ . 1 ]" 1
428 1 33 TRP HD1 1 89 LEU MD1 0.000 . 6.500 4.109 3.839 4.885 . 0 0 "[ . 1 ]" 1
429 1 19 LEU MD2 1 103 PHE QD 0.000 . 6.800 3.117 2.519 3.641 . 0 0 "[ . 1 ]" 1
430 1 19 LEU QB 1 103 PHE QD 0.000 . 8.000 4.790 4.164 5.308 . 0 0 "[ . 1 ]" 1
431 1 19 LEU MD2 1 33 TRP HZ2 0.000 . 6.500 5.514 5.340 5.619 . 0 0 "[ . 1 ]" 1
432 1 65 TYR QD 1 74 LEU MD2 0.000 . 6.800 3.560 3.239 4.672 . 0 0 "[ . 1 ]" 1
433 1 61 PHE QD 1 65 TYR QD 0.000 . 6.900 4.573 4.052 5.192 . 0 0 "[ . 1 ]" 1
434 1 56 TRP HH2 1 64 ILE MG 0.000 . 6.500 3.394 2.841 5.262 . 0 0 "[ . 1 ]" 1
435 1 56 TRP HZ3 1 64 ILE MG 0.000 . 6.500 2.284 1.928 3.889 . 0 0 "[ . 1 ]" 1
436 1 56 TRP HZ3 1 64 ILE MD 0.000 . 6.500 4.546 2.820 5.096 . 0 0 "[ . 1 ]" 1
437 1 61 PHE QD 1 64 ILE MD 0.000 . 6.800 2.573 1.915 3.915 . 0 0 "[ . 1 ]" 1
438 1 31 VAL MG2 1 67 PHE QD 0.000 . 6.800 4.985 4.633 5.169 . 0 0 "[ . 1 ]" 1
439 1 31 VAL MG2 1 67 PHE QE 0.000 . 6.400 3.567 3.223 3.772 . 0 0 "[ . 1 ]" 1
440 1 47 LEU MD2 1 67 PHE QE 0.000 . 6.400 4.478 4.195 4.814 . 0 0 "[ . 1 ]" 1
441 1 47 LEU MD2 1 67 PHE QD 0.000 . 6.800 3.819 3.582 4.139 . 0 0 "[ . 1 ]" 1
442 1 67 PHE QE 1 69 TYR HA 0.000 . 7.000 3.322 2.859 4.945 . 0 0 "[ . 1 ]" 1
443 1 17 VAL MG2 1 76 ILE MG 0.000 . 6.300 4.821 4.618 5.009 . 0 0 "[ . 1 ]" 1
444 1 17 VAL MG2 1 105 LEU MD1 0.000 . 8.000 3.582 2.407 4.193 . 0 0 "[ . 1 ]" 1
445 1 31 VAL MG2 1 67 PHE HZ 0.000 . 6.500 3.002 2.648 3.635 . 0 0 "[ . 1 ]" 1
446 1 25 GLN QG 1 29 VAL QG 0.000 . 8.400 4.633 2.594 5.519 . 0 0 "[ . 1 ]" 1
447 1 29 VAL QG 1 91 ILE MG 0.000 . 6.800 2.393 1.757 3.395 . 0 0 "[ . 1 ]" 1
448 1 67 PHE HZ 1 72 PHE HA 0.000 . 3.300 2.602 2.251 2.882 . 0 0 "[ . 1 ]" 1
449 1 67 PHE HZ 1 69 TYR HA 0.000 . 5.000 4.766 3.161 5.228 0.228 4 0 "[ . 1 ]" 1
450 1 67 PHE HZ 1 72 PHE QD 0.000 . 7.000 2.718 2.153 3.680 . 0 0 "[ . 1 ]" 1
451 1 47 LEU MD1 1 67 PHE QB 0.000 . 7.500 2.636 2.326 3.015 . 0 0 "[ . 1 ]" 1
452 1 47 LEU MD1 1 54 PRO HB3 0.000 . 6.500 3.450 2.160 4.367 . 0 0 "[ . 1 ]" 1
453 1 47 LEU MD1 1 54 PRO HB2 0.000 . 6.500 3.517 2.270 4.312 . 0 0 "[ . 1 ]" 1
454 1 19 LEU QD 1 103 PHE HA 0.000 . 7.400 4.508 4.150 4.709 . 0 0 "[ . 1 ]" 1
455 1 13 SER HA 1 81 LEU MD1 0.000 . 6.500 5.199 3.828 5.547 . 0 0 "[ . 1 ]" 1
456 1 19 LEU MD1 1 105 LEU MD1 0.000 . 6.300 4.013 2.990 4.321 . 0 0 "[ . 1 ]" 1
457 1 84 SER QB 1 105 LEU MD1 0.000 . 7.500 4.780 4.337 5.432 . 0 0 "[ . 1 ]" 1
458 1 68 ASP QB 1 73 ALA MB 0.000 . 6.300 2.327 1.928 3.319 . 0 0 "[ . 1 ]" 1
459 1 44 ILE MD 1 58 ASN HA 0.000 . 6.500 4.763 3.875 5.349 . 0 0 "[ . 1 ]" 1
460 1 2 CYS QB 1 24 ILE MG 0.000 . 7.500 3.872 3.142 5.384 . 0 0 "[ . 1 ]" 1
461 1 31 VAL MG1 1 72 PHE QD 0.000 . 6.800 2.970 2.303 3.823 . 0 0 "[ . 1 ]" 1
462 1 31 VAL MG1 1 67 PHE QE 0.000 . 6.800 2.646 2.139 3.492 . 0 0 "[ . 1 ]" 1
463 1 31 VAL MG1 1 67 PHE HZ 0.000 . 6.500 2.915 2.378 4.446 . 0 0 "[ . 1 ]" 1
464 1 49 TRP HD1 1 54 PRO QG 0.000 . 4.300 3.626 3.297 3.861 . 0 0 "[ . 1 ]" 1
465 1 31 VAL HB 1 49 TRP HE3 0.000 . 5.000 3.716 2.935 4.065 . 0 0 "[ . 1 ]" 1
466 1 64 ILE HB 1 65 TYR HA 0.000 . 5.500 5.272 4.051 5.777 0.277 1 0 "[ . 1 ]" 1
467 1 33 TRP HH2 1 65 TYR HA 0.000 . 5.000 4.794 4.546 5.018 0.018 12 0 "[ . 1 ]" 1
468 1 56 TRP HH2 1 65 TYR HA 0.000 . 5.500 5.456 5.235 5.552 0.052 9 0 "[ . 1 ]" 1
469 1 65 TYR HA 1 77 LYS HA 0.000 . 5.000 4.656 4.553 5.136 0.136 10 0 "[ . 1 ]" 1
470 1 9 VAL MG1 1 103 PHE HA 0.000 . 4.800 4.031 3.911 4.106 . 0 0 "[ . 1 ]" 1
471 1 17 VAL MG2 1 18 GLN HA 0.000 . 6.500 4.041 3.812 4.350 . 0 0 "[ . 1 ]" 1
472 1 17 VAL MG2 1 87 TYR QE 0.000 . 6.800 6.434 4.998 6.924 0.124 11 0 "[ . 1 ]" 1
473 1 19 LEU MD2 1 76 ILE MD 0.000 . 8.000 4.506 4.104 5.281 . 0 0 "[ . 1 ]" 1
474 1 19 LEU MD2 1 103 PHE QB 0.000 . 5.400 2.696 2.408 3.011 . 0 0 "[ . 1 ]" 1
475 1 19 LEU MD2 1 103 PHE QE 0.000 . 6.800 4.173 3.352 4.704 . 0 0 "[ . 1 ]" 1
476 1 24 ILE MG 1 72 PHE QB 0.000 . 5.800 3.514 2.732 4.151 . 0 0 "[ . 1 ]" 1
477 1 31 VAL MG1 1 47 LEU MD1 0.000 . 8.000 5.008 4.599 5.402 . 0 0 "[ . 1 ]" 1
478 1 31 VAL MG1 1 89 LEU MD2 0.000 . 5.900 3.523 3.152 3.987 . 0 0 "[ . 1 ]" 1
479 1 44 ILE MG 1 58 ASN QB 0.000 . 5.800 2.267 1.726 3.819 . 0 0 "[ . 1 ]" 1
480 1 33 TRP HH2 1 46 ILE MD 0.000 . 6.500 3.844 3.540 4.338 . 0 0 "[ . 1 ]" 1
481 1 44 ILE MD 1 46 ILE MD 0.000 . 7.300 3.217 2.520 4.306 . 0 0 "[ . 1 ]" 1
482 1 44 ILE MG 1 46 ILE MD 0.000 . 5.900 2.042 1.716 2.815 . 0 0 "[ . 1 ]" 1
483 1 46 ILE MD 1 61 PHE QD 0.000 . 6.800 4.354 3.873 5.210 . 0 0 "[ . 1 ]" 1
484 1 33 TRP HD1 1 46 ILE MG 0.000 . 4.800 3.775 3.552 3.943 . 0 0 "[ . 1 ]" 1
485 1 47 LEU MD2 1 54 PRO QB 0.000 . 5.800 3.149 2.510 4.130 . 0 0 "[ . 1 ]" 1
486 1 46 ILE MD 1 64 ILE MG 0.000 . 6.300 4.197 3.677 4.421 . 0 0 "[ . 1 ]" 1
487 1 19 LEU MD2 1 74 LEU MD1 0.000 . 5.900 2.320 2.024 2.793 . 0 0 "[ . 1 ]" 1
488 1 17 VAL MG2 1 76 ILE MD 0.000 . 6.300 5.936 4.936 6.317 0.017 9 0 "[ . 1 ]" 1
489 1 33 TRP HZ3 1 76 ILE MD 0.000 . 6.500 4.125 3.780 4.519 . 0 0 "[ . 1 ]" 1
490 1 76 ILE MD 1 87 TYR QE 0.000 . 6.400 2.638 2.089 3.396 . 0 0 "[ . 1 ]" 1
491 1 15 LYS QD 1 76 ILE MG 0.000 . 5.800 3.949 3.275 4.388 . 0 0 "[ . 1 ]" 1
492 1 15 LYS QG 1 76 ILE MG 0.000 . 5.800 2.853 2.292 3.416 . 0 0 "[ . 1 ]" 1
493 1 16 PRO HA 1 76 ILE MG 0.000 . 4.800 2.571 2.130 3.237 . 0 0 "[ . 1 ]" 1
494 1 19 LEU MD2 1 76 ILE MG 0.000 . 8.000 5.300 4.879 5.572 . 0 0 "[ . 1 ]" 1
495 1 76 ILE MG 1 83 ASP QB 0.000 . 4.800 2.685 2.294 3.071 . 0 0 "[ . 1 ]" 1
496 1 14 GLY QA 1 79 ALA MB 0.000 . 5.400 1.877 1.823 1.924 . 0 0 "[ . 1 ]" 1
497 1 15 LYS QB 1 79 ALA MB 0.000 . 5.800 4.108 3.612 4.425 . 0 0 "[ . 1 ]" 1
498 1 79 ALA MB 1 107 ILE MD 0.000 . 8.000 5.273 4.883 5.593 . 0 0 "[ . 1 ]" 1
499 1 81 LEU MD1 1 107 ILE QG 0.000 . 5.400 2.285 1.781 3.840 . 0 0 "[ . 1 ]" 1
500 1 33 TRP HZ2 1 89 LEU MD2 0.000 . 6.500 5.410 5.084 5.551 . 0 0 "[ . 1 ]" 1
501 1 74 LEU MD1 1 89 LEU MD2 0.000 . 8.000 3.929 3.239 4.374 . 0 0 "[ . 1 ]" 1
502 1 89 LEU MD2 1 101 LYS QD 0.000 . 5.800 4.082 3.635 4.237 . 0 0 "[ . 1 ]" 1
503 1 89 LEU MD2 1 101 LYS QG 0.000 . 7.500 5.015 3.999 5.580 . 0 0 "[ . 1 ]" 1
504 1 89 LEU MD2 1 103 PHE QD 0.000 . 8.500 4.012 3.337 4.766 . 0 0 "[ . 1 ]" 1
505 1 89 LEU MD1 1 101 LYS QD 0.000 . 5.800 3.263 2.118 3.669 . 0 0 "[ . 1 ]" 1
506 1 29 VAL HA 1 91 ILE MG 0.000 . 6.500 4.565 3.394 5.337 . 0 0 "[ . 1 ]" 1
507 1 9 VAL HB 1 105 LEU MD2 0.000 . 4.800 4.069 3.904 4.400 . 0 0 "[ . 1 ]" 1
508 1 19 LEU MD2 1 105 LEU MD2 0.000 . 8.000 3.660 3.059 5.534 . 0 0 "[ . 1 ]" 1
509 1 10 VAL HA 1 105 LEU MD1 0.000 . 4.800 4.003 3.849 4.543 . 0 0 "[ . 1 ]" 1
510 1 15 LYS QG 1 105 LEU MD1 0.000 . 5.800 2.466 1.831 3.593 . 0 0 "[ . 1 ]" 1
511 1 15 LYS QD 1 107 ILE MD 0.000 . 7.500 4.018 2.038 5.206 . 0 0 "[ . 1 ]" 1
512 1 79 ALA HA 1 107 ILE MD 0.000 . 6.500 4.450 4.015 4.814 . 0 0 "[ . 1 ]" 1
513 1 105 LEU HA 1 107 ILE MD 0.000 . 6.500 5.340 4.555 5.691 . 0 0 "[ . 1 ]" 1
514 1 11 GLY QA 1 107 ILE MG 0.000 . 5.800 2.248 1.864 3.200 . 0 0 "[ . 1 ]" 1
515 1 3 PRO HA 1 4 ASP H 0.000 . 2.900 2.447 2.180 3.024 0.124 1 0 "[ . 1 ]" 1
516 1 3 PRO QB 1 4 ASP H 0.000 . 6.000 2.779 1.886 3.841 . 0 0 "[ . 1 ]" 1
517 1 4 ASP HA 1 5 SER H 0.000 . 5.000 2.182 2.125 2.354 . 0 0 "[ . 1 ]" 1
518 1 4 ASP QB 1 5 SER H 0.000 . 6.000 3.590 3.200 3.993 . 0 0 "[ . 1 ]" 1
519 1 5 SER H 1 101 LYS QB 0.000 . 6.000 4.175 2.766 5.216 . 0 0 "[ . 1 ]" 1
520 1 5 SER H 1 102 ASN H 0.000 . 5.000 4.050 3.500 4.719 . 0 0 "[ . 1 ]" 1
521 1 5 SER HA 1 6 SER H 0.000 . 3.500 2.222 2.133 2.339 . 0 0 "[ . 1 ]" 1
522 1 5 SER QB 1 6 SER H 0.000 . 6.000 3.201 2.520 3.658 . 0 0 "[ . 1 ]" 1
523 1 6 SER HA 1 7 GLU H 0.000 . 2.900 2.188 2.125 2.364 . 0 0 "[ . 1 ]" 1
524 1 6 SER QB 1 7 GLU H 0.000 . 6.000 3.491 2.946 3.819 . 0 0 "[ . 1 ]" 1
525 1 7 GLU H 1 7 GLU QG 0.000 . 4.500 3.389 1.935 4.129 . 0 0 "[ . 1 ]" 1
526 1 7 GLU H 1 103 PHE HA 0.000 . 3.500 3.064 2.720 3.468 . 0 0 "[ . 1 ]" 1
527 1 7 GLU H 1 103 PHE QB 0.000 . 6.000 4.979 4.662 5.322 . 0 0 "[ . 1 ]" 1
528 1 7 GLU H 1 103 PHE QD 0.000 . 7.000 3.952 3.010 4.617 . 0 0 "[ . 1 ]" 1
529 1 7 GLU H 1 104 GLN H 0.000 . 5.000 3.878 3.188 4.426 . 0 0 "[ . 1 ]" 1
530 1 7 GLU HA 1 8 GLU H 0.000 . 2.900 2.294 2.143 2.348 . 0 0 "[ . 1 ]" 1
531 1 7 GLU QB 1 8 GLU H 0.000 . 6.000 3.072 2.523 3.713 . 0 0 "[ . 1 ]" 1
532 1 8 GLU H 1 8 GLU QB 0.000 . 3.900 2.533 2.343 3.130 . 0 0 "[ . 1 ]" 1
533 1 8 GLU HA 1 9 VAL H 0.000 . 2.900 2.166 2.115 2.207 . 0 0 "[ . 1 ]" 1
534 1 8 GLU QB 1 9 VAL H 0.000 . 6.000 3.744 2.804 4.016 . 0 0 "[ . 1 ]" 1
535 1 8 GLU QG 1 9 VAL H 0.000 . 6.000 3.517 2.584 4.433 . 0 0 "[ . 1 ]" 1
536 1 9 VAL H 1 9 VAL HB 0.000 . 3.500 3.395 3.058 3.617 0.117 1 0 "[ . 1 ]" 1
537 1 9 VAL H 1 10 VAL H 0.000 . 5.000 4.502 4.201 4.632 . 0 0 "[ . 1 ]" 1
538 1 9 VAL H 1 105 LEU HA 0.000 . 3.500 3.443 3.160 3.613 0.113 3 0 "[ . 1 ]" 1
539 1 9 VAL H 1 105 LEU MD1 0.000 . 6.500 4.034 3.605 4.580 . 0 0 "[ . 1 ]" 1
540 1 9 VAL H 1 106 LEU H 0.000 . 5.000 4.220 3.618 4.713 . 0 0 "[ . 1 ]" 1
541 1 9 VAL HA 1 10 VAL H 0.000 . 2.900 2.237 2.140 2.375 . 0 0 "[ . 1 ]" 1
542 1 9 VAL HB 1 10 VAL H 0.000 . 5.000 3.646 2.959 4.145 . 0 0 "[ . 1 ]" 1
543 1 9 VAL MG1 1 10 VAL H 0.000 . 6.500 4.239 4.067 4.351 . 0 0 "[ . 1 ]" 1
544 1 10 VAL H 1 10 VAL HB 0.000 . 3.500 2.920 2.712 3.446 . 0 0 "[ . 1 ]" 1
545 1 10 VAL HA 1 11 GLY H 0.000 . 2.900 2.236 2.146 2.366 . 0 0 "[ . 1 ]" 1
546 1 10 VAL HB 1 11 GLY H 0.000 . 5.000 3.968 3.716 4.084 . 0 0 "[ . 1 ]" 1
547 1 10 VAL MG1 1 11 GLY H 0.000 . 4.400 3.575 3.367 3.695 . 0 0 "[ . 1 ]" 1
548 1 11 GLY H 1 12 VAL H 0.000 . 5.000 4.418 4.353 4.452 . 0 0 "[ . 1 ]" 1
549 1 11 GLY H 1 107 ILE HA 0.000 . 3.500 2.455 2.346 2.685 . 0 0 "[ . 1 ]" 1
550 1 11 GLY H 1 107 ILE MD 0.000 . 6.500 4.718 4.214 5.266 . 0 0 "[ . 1 ]" 1
551 1 11 GLY H 1 107 ILE MG 0.000 . 6.500 2.317 1.484 3.571 . 0 0 "[ . 1 ]" 1
552 1 11 GLY H 1 108 LEU H 0.000 . 5.000 4.224 3.969 4.412 . 0 0 "[ . 1 ]" 1
553 1 11 GLY QA 1 12 VAL H 0.000 . 4.500 2.259 2.228 2.297 . 0 0 "[ . 1 ]" 1
554 1 12 VAL H 1 12 VAL HB 0.000 . 3.500 3.351 2.654 3.747 0.247 12 0 "[ . 1 ]" 1
555 1 12 VAL H 1 15 LYS QG 0.000 . 6.000 5.027 4.005 5.471 . 0 0 "[ . 1 ]" 1
556 1 12 VAL H 1 107 ILE MD 0.000 . 6.500 4.947 4.428 5.290 . 0 0 "[ . 1 ]" 1
557 1 10 VAL QG 1 12 VAL H 0.000 . 7.400 4.487 4.338 4.591 . 0 0 "[ . 1 ]" 1
558 1 12 VAL HA 1 13 SER H 0.000 . 2.900 2.244 2.192 2.306 . 0 0 "[ . 1 ]" 1
559 1 12 VAL HB 1 13 SER H 0.000 . 5.000 4.390 3.862 4.658 . 0 0 "[ . 1 ]" 1
560 1 12 VAL MG2 1 13 SER H 0.000 . 5.000 3.817 3.265 4.367 . 0 0 "[ . 1 ]" 1
561 1 12 VAL H 1 13 SER H 0.000 . 5.000 3.752 3.621 4.034 . 0 0 "[ . 1 ]" 1
562 1 13 SER H 1 13 SER HA 0.000 . 2.900 2.416 2.369 2.545 . 0 0 "[ . 1 ]" 1
563 1 13 SER H 1 13 SER QB 0.000 . 3.900 2.873 2.617 3.278 . 0 0 "[ . 1 ]" 1
564 1 13 SER H 1 14 GLY H 0.000 . 5.000 3.408 3.186 3.750 . 0 0 "[ . 1 ]" 1
565 1 13 SER H 1 107 ILE MD 0.000 . 5.000 3.655 2.938 4.257 . 0 0 "[ . 1 ]" 1
566 1 13 SER H 1 107 ILE QG 0.000 . 6.000 3.585 2.591 5.383 . 0 0 "[ . 1 ]" 1
567 1 13 SER H 1 107 ILE MG 0.000 . 5.000 3.825 2.209 4.502 . 0 0 "[ . 1 ]" 1
568 1 13 SER H 1 108 LEU H 0.000 . 5.000 3.644 3.014 4.085 . 0 0 "[ . 1 ]" 1
569 1 13 SER H 1 109 ASP HA 0.000 . 5.000 4.472 3.789 5.081 0.081 4 0 "[ . 1 ]" 1
570 1 12 VAL HA 1 14 GLY H 0.000 . 5.000 5.013 4.813 5.127 0.127 3 0 "[ . 1 ]" 1
571 1 13 SER HA 1 14 GLY H 0.000 . 2.900 2.236 2.153 2.304 . 0 0 "[ . 1 ]" 1
572 1 14 GLY H 1 15 LYS QG 0.000 . 6.000 4.760 3.650 5.231 . 0 0 "[ . 1 ]" 1
573 1 14 GLY H 1 15 LYS H 0.000 . 3.500 2.139 1.787 2.290 . 0 0 "[ . 1 ]" 1
574 1 14 GLY H 1 79 ALA H 0.000 . 5.000 5.128 5.045 5.235 0.235 3 0 "[ . 1 ]" 1
575 1 14 GLY H 1 107 ILE MD 0.000 . 6.500 4.189 3.471 4.650 . 0 0 "[ . 1 ]" 1
576 1 14 GLY QA 1 15 LYS H 0.000 . 6.000 2.419 2.343 2.530 . 0 0 "[ . 1 ]" 1
577 1 15 LYS H 1 15 LYS QG 0.000 . 4.500 3.685 2.154 4.106 . 0 0 "[ . 1 ]" 1
578 1 15 LYS H 1 79 ALA H 0.000 . 5.000 3.695 3.582 3.948 . 0 0 "[ . 1 ]" 1
579 1 16 PRO HA 1 17 VAL H 0.000 . 2.900 2.247 2.191 2.395 . 0 0 "[ . 1 ]" 1
580 1 16 PRO QB 1 17 VAL H 0.000 . 6.000 3.706 3.327 3.927 . 0 0 "[ . 1 ]" 1
581 1 16 PRO QG 1 17 VAL H 0.000 . 6.000 4.971 4.822 5.033 . 0 0 "[ . 1 ]" 1
582 1 17 VAL H 1 75 SER HA 0.000 . 5.000 4.945 4.517 5.152 0.152 4 0 "[ . 1 ]" 1
583 1 17 VAL H 1 75 SER QB 0.000 . 6.000 4.995 3.965 5.510 . 0 0 "[ . 1 ]" 1
584 1 17 VAL H 1 76 ILE H 0.000 . 3.500 3.134 2.626 3.506 0.006 5 0 "[ . 1 ]" 1
585 1 17 VAL H 1 77 LYS HA 0.000 . 5.000 4.335 4.065 4.456 . 0 0 "[ . 1 ]" 1
586 1 17 VAL H 1 77 LYS QB 0.000 . 6.000 5.334 4.967 5.598 . 0 0 "[ . 1 ]" 1
587 1 17 VAL HA 1 18 GLN H 0.000 . 2.900 2.290 2.243 2.333 . 0 0 "[ . 1 ]" 1
588 1 17 VAL MG1 1 18 GLN H 0.000 . 6.500 3.138 2.727 3.393 . 0 0 "[ . 1 ]" 1
589 1 17 VAL MG2 1 18 GLN H 0.000 . 6.500 1.892 1.738 2.031 . 0 0 "[ . 1 ]" 1
590 1 18 GLN HA 1 19 LEU H 0.000 . 2.900 2.146 2.105 2.191 . 0 0 "[ . 1 ]" 1
591 1 18 GLN QB 1 19 LEU H 0.000 . 6.000 3.893 3.689 3.980 . 0 0 "[ . 1 ]" 1
592 1 18 GLN QG 1 19 LEU H 0.000 . 6.000 3.282 2.948 4.029 . 0 0 "[ . 1 ]" 1
593 1 19 LEU H 1 73 ALA MB 0.000 . 6.500 5.286 4.982 5.464 . 0 0 "[ . 1 ]" 1
594 1 19 LEU H 1 74 LEU H 0.000 . 5.000 3.989 3.697 4.374 . 0 0 "[ . 1 ]" 1
595 1 19 LEU H 1 75 SER HA 0.000 . 3.500 2.113 1.940 2.319 . 0 0 "[ . 1 ]" 1
596 1 19 LEU HA 1 20 ARG H 0.000 . 2.900 2.308 2.245 2.477 . 0 0 "[ . 1 ]" 1
597 1 19 LEU QB 1 20 ARG H 0.000 . 6.000 3.790 3.496 4.037 . 0 0 "[ . 1 ]" 1
598 1 19 LEU MD1 1 20 ARG H 0.000 . 6.500 3.883 3.453 4.247 . 0 0 "[ . 1 ]" 1
599 1 19 LEU HG 1 20 ARG H 0.000 . 5.000 3.958 3.440 4.526 . 0 0 "[ . 1 ]" 1
600 1 20 ARG H 1 73 ALA MB 0.000 . 6.500 5.291 4.775 5.505 . 0 0 "[ . 1 ]" 1
601 1 20 ARG H 1 103 PHE QD 0.000 . 7.000 5.849 5.037 6.383 . 0 0 "[ . 1 ]" 1
602 1 23 ASN HA 1 24 ILE H 0.000 . 5.000 2.796 2.182 3.456 . 0 0 "[ . 1 ]" 1
603 1 23 ASN QB 1 24 ILE H 0.000 . 6.000 3.689 2.670 4.051 . 0 0 "[ . 1 ]" 1
604 1 25 GLN QB 1 26 THR H 0.000 . 6.000 3.672 3.141 4.000 . 0 0 "[ . 1 ]" 1
605 1 25 GLN QG 1 26 THR H 0.000 . 6.000 3.422 2.737 4.749 . 0 0 "[ . 1 ]" 1
606 1 26 THR H 1 26 THR HA 0.000 . 2.900 2.526 2.310 2.961 0.061 2 0 "[ . 1 ]" 1
607 1 26 THR H 1 27 LYS H 0.000 . 5.000 3.900 3.185 4.572 . 0 0 "[ . 1 ]" 1
608 1 25 GLN QG 1 27 LYS H 0.000 . 6.000 4.795 3.793 5.514 . 0 0 "[ . 1 ]" 1
609 1 27 LYS H 1 29 VAL QG 0.000 . 7.400 2.789 1.772 3.991 . 0 0 "[ . 1 ]" 1
610 1 27 LYS HA 1 28 ASP H 0.000 . 2.900 2.588 2.187 3.077 0.177 11 0 "[ . 1 ]" 1
611 1 27 LYS QB 1 28 ASP H 0.000 . 6.000 2.967 1.700 3.999 . 0 0 "[ . 1 ]" 1
612 1 27 LYS QG 1 28 ASP H 0.000 . 6.000 3.965 3.132 4.426 . 0 0 "[ . 1 ]" 1
613 1 27 LYS H 1 28 ASP H 0.000 . 5.000 3.668 1.626 4.485 . 0 0 "[ . 1 ]" 1
614 1 28 ASP H 1 29 VAL QG 0.000 . 7.400 3.426 2.436 5.061 . 0 0 "[ . 1 ]" 1
615 1 28 ASP H 1 29 VAL H 0.000 . 5.000 3.353 1.490 4.514 . 0 0 "[ . 1 ]" 1
616 1 28 ASP HA 1 29 VAL H 0.000 . 3.500 2.488 2.138 3.249 . 0 0 "[ . 1 ]" 1
617 1 28 ASP QB 1 29 VAL H 0.000 . 6.000 3.859 3.419 4.050 . 0 0 "[ . 1 ]" 1
618 1 30 SER HA 1 31 VAL H 0.000 . 3.500 2.291 2.173 2.444 . 0 0 "[ . 1 ]" 1
619 1 30 SER QB 1 31 VAL H 0.000 . 6.000 3.094 2.604 3.660 . 0 0 "[ . 1 ]" 1
620 1 31 VAL H 1 49 TRP QB 0.000 . 4.500 1.759 1.635 1.972 . 0 0 "[ . 1 ]" 1
621 1 31 VAL H 1 49 TRP HE3 0.000 . 3.500 2.105 1.777 2.593 . 0 0 "[ . 1 ]" 1
622 1 31 VAL H 1 49 TRP H 0.000 . 3.500 3.382 2.992 3.547 0.047 12 0 "[ . 1 ]" 1
623 1 31 VAL H 1 50 TYR HA 0.000 . 3.500 3.706 3.652 3.780 0.280 11 0 "[ . 1 ]" 1
624 1 31 VAL HA 1 32 GLN H 0.000 . 2.900 2.108 2.068 2.156 . 0 0 "[ . 1 ]" 1
625 1 31 VAL HB 1 32 GLN H 0.000 . 5.000 3.954 3.658 4.170 . 0 0 "[ . 1 ]" 1
626 1 31 VAL MG1 1 32 GLN H 0.000 . 6.500 2.552 2.087 2.978 . 0 0 "[ . 1 ]" 1
627 1 32 GLN H 1 90 GLU QB 0.000 . 6.000 4.333 3.803 5.115 . 0 0 "[ . 1 ]" 1
628 1 32 GLN H 1 89 LEU MD1 0.000 . 6.500 3.382 3.024 5.291 . 0 0 "[ . 1 ]" 1
629 1 32 GLN H 1 90 GLU H 0.000 . 5.000 3.639 3.114 4.068 . 0 0 "[ . 1 ]" 1
630 1 32 GLN HA 1 33 TRP H 0.000 . 2.900 2.253 2.205 2.300 . 0 0 "[ . 1 ]" 1
631 1 32 GLN QB 1 33 TRP H 0.000 . 6.000 3.719 3.403 3.879 . 0 0 "[ . 1 ]" 1
632 1 32 GLN QG 1 33 TRP H 0.000 . 6.000 2.735 2.208 3.622 . 0 0 "[ . 1 ]" 1
633 1 33 TRP H 1 33 TRP HE3 0.000 . 5.000 5.188 5.112 5.290 0.290 8 0 "[ . 1 ]" 1
634 1 33 TRP H 1 35 LYS QG 0.000 . 6.000 5.751 5.630 5.938 . 0 0 "[ . 1 ]" 1
635 1 33 TRP H 1 47 LEU MD2 0.000 . 6.500 3.972 2.968 4.904 . 0 0 "[ . 1 ]" 1
636 1 33 TRP H 1 48 ASN HA 0.000 . 5.000 4.178 3.896 4.409 . 0 0 "[ . 1 ]" 1
637 1 33 TRP HA 1 34 LYS H 0.000 . 2.900 2.118 2.046 2.218 . 0 0 "[ . 1 ]" 1
638 1 33 TRP QB 1 34 LYS H 0.000 . 6.000 3.206 2.763 3.533 . 0 0 "[ . 1 ]" 1
639 1 33 TRP HE3 1 34 LYS H 0.000 . 5.000 4.683 4.274 5.149 0.149 4 0 "[ . 1 ]" 1
640 1 34 LYS H 1 34 LYS QD 0.000 . 6.000 4.102 3.624 5.061 . 0 0 "[ . 1 ]" 1
641 1 34 LYS H 1 88 LEU H 0.000 . 3.500 3.541 3.366 3.643 0.143 7 0 "[ . 1 ]" 1
642 1 34 LYS H 1 89 LEU HA 0.000 . 5.000 4.141 3.612 4.387 . 0 0 "[ . 1 ]" 1
643 1 34 LYS H 1 88 LEU QB 0.000 . 6.000 3.599 3.118 5.317 . 0 0 "[ . 1 ]" 1
644 1 34 LYS HA 1 35 LYS H 0.000 . 2.900 2.315 2.274 2.351 . 0 0 "[ . 1 ]" 1
645 1 34 LYS QB 1 35 LYS H 0.000 . 6.000 2.877 2.478 3.393 . 0 0 "[ . 1 ]" 1
646 1 34 LYS QD 1 35 LYS H 0.000 . 6.000 4.648 3.906 5.412 . 0 0 "[ . 1 ]" 1
647 1 34 LYS QG 1 35 LYS H 0.000 . 6.000 3.229 1.903 4.239 . 0 0 "[ . 1 ]" 1
648 1 35 LYS H 1 44 ILE H 0.000 . 3.500 3.477 3.224 3.576 0.076 4 0 "[ . 1 ]" 1
649 1 35 LYS H 1 45 GLU HA 0.000 . 3.500 3.646 3.489 3.744 0.244 7 0 "[ . 1 ]" 1
650 1 35 LYS HA 1 36 THR H 0.000 . 2.900 2.276 2.216 2.326 . 0 0 "[ . 1 ]" 1
651 1 35 LYS QB 1 36 THR H 0.000 . 6.000 2.650 2.462 3.054 . 0 0 "[ . 1 ]" 1
652 1 35 LYS QG 1 36 THR H 0.000 . 6.000 4.346 4.228 4.604 . 0 0 "[ . 1 ]" 1
653 1 36 THR H 1 86 HIS QB 0.000 . 6.000 3.196 3.034 3.490 . 0 0 "[ . 1 ]" 1
654 1 36 THR H 1 86 HIS H 0.000 . 3.500 2.866 2.633 3.472 . 0 0 "[ . 1 ]" 1
655 1 36 THR H 1 87 TYR HA 0.000 . 5.000 3.782 3.513 4.037 . 0 0 "[ . 1 ]" 1
656 1 36 THR H 1 87 TYR QB 0.000 . 6.000 5.518 5.183 5.749 . 0 0 "[ . 1 ]" 1
657 1 36 THR HA 1 37 GLU H 0.000 . 2.900 2.175 2.112 2.253 . 0 0 "[ . 1 ]" 1
658 1 36 THR MG 1 37 GLU H 0.000 . 6.500 3.226 2.910 3.486 . 0 0 "[ . 1 ]" 1
659 1 37 GLU H 1 42 ARG H 0.000 . 5.000 4.037 3.770 4.428 . 0 0 "[ . 1 ]" 1
660 1 37 GLU H 1 43 LYS HA 0.000 . 5.000 2.895 2.195 3.664 . 0 0 "[ . 1 ]" 1
661 1 37 GLU HA 1 38 GLN H 0.000 . 2.900 2.206 2.096 2.659 . 0 0 "[ . 1 ]" 1
662 1 37 GLU QB 1 38 GLN H 0.000 . 6.000 3.299 1.984 3.772 . 0 0 "[ . 1 ]" 1
663 1 37 GLU QG 1 38 GLN H 0.000 . 6.000 4.246 2.274 4.821 . 0 0 "[ . 1 ]" 1
664 1 38 GLN H 1 85 GLY QA 0.000 . 3.900 3.430 2.663 3.880 . 0 0 "[ . 1 ]" 1
665 1 39 GLY H 1 41 HIS HD2 0.000 . 5.000 4.768 1.635 5.140 0.140 8 0 "[ . 1 ]" 1
666 1 41 HIS HA 1 42 ARG H 0.000 . 3.500 2.940 2.426 3.337 . 0 0 "[ . 1 ]" 1
667 1 42 ARG H 1 42 ARG QD 0.000 . 6.000 4.514 2.919 5.326 . 0 0 "[ . 1 ]" 1
668 1 42 ARG H 1 60 SER QB 0.000 . 7.000 6.493 6.282 6.647 . 0 0 "[ . 1 ]" 1
669 1 42 ARG H 1 82 GLN QB 0.000 . 6.000 5.292 5.077 5.526 . 0 0 "[ . 1 ]" 1
670 1 42 ARG HA 1 43 LYS H 0.000 . 5.000 2.636 2.189 2.973 . 0 0 "[ . 1 ]" 1
671 1 42 ARG QB 1 43 LYS H 0.000 . 6.000 2.263 1.668 3.506 . 0 0 "[ . 1 ]" 1
672 1 42 ARG QG 1 43 LYS H 0.000 . 6.000 2.833 1.636 3.942 . 0 0 "[ . 1 ]" 1
673 1 36 THR HA 1 44 ILE H 0.000 . 5.000 3.201 2.850 3.542 . 0 0 "[ . 1 ]" 1
674 1 43 LYS HA 1 44 ILE H 0.000 . 2.900 2.255 2.131 2.396 . 0 0 "[ . 1 ]" 1
675 1 43 LYS QB 1 44 ILE H 0.000 . 6.000 3.120 2.633 3.797 . 0 0 "[ . 1 ]" 1
676 1 44 ILE HA 1 45 GLU H 0.000 . 2.900 2.256 2.159 2.453 . 0 0 "[ . 1 ]" 1
677 1 44 ILE HB 1 45 GLU H 0.000 . 5.000 4.014 3.715 4.345 . 0 0 "[ . 1 ]" 1
678 1 44 ILE QG 1 45 GLU H 0.000 . 6.000 3.846 2.905 4.614 . 0 0 "[ . 1 ]" 1
679 1 44 ILE MG 1 45 GLU H 0.000 . 6.500 2.110 1.675 2.717 . 0 0 "[ . 1 ]" 1
680 1 45 GLU H 1 45 GLU HA 0.000 . 2.900 2.950 2.932 2.968 0.068 3 0 "[ . 1 ]" 1
681 1 45 GLU H 1 46 ILE H 0.000 . 5.000 2.143 1.782 2.442 . 0 0 "[ . 1 ]" 1
682 1 34 LYS HA 1 46 ILE H 0.000 . 5.000 4.556 4.362 4.766 . 0 0 "[ . 1 ]" 1
683 1 45 GLU HA 1 46 ILE H 0.000 . 3.500 3.445 3.350 3.521 0.021 5 0 "[ . 1 ]" 1
684 1 45 GLU QB 1 46 ILE H 0.000 . 6.000 2.761 2.481 3.091 . 0 0 "[ . 1 ]" 1
685 1 45 GLU QG 1 46 ILE H 0.000 . 6.000 3.815 2.905 4.333 . 0 0 "[ . 1 ]" 1
686 1 46 ILE H 1 47 LEU H 0.000 . 5.000 4.269 4.128 4.473 . 0 0 "[ . 1 ]" 1
687 1 32 GLN QG 1 47 LEU H 0.000 . 6.000 4.459 3.802 5.169 . 0 0 "[ . 1 ]" 1
688 1 33 TRP QB 1 47 LEU H 0.000 . 6.000 4.959 4.787 5.137 . 0 0 "[ . 1 ]" 1
689 1 33 TRP H 1 47 LEU H 0.000 . 5.000 3.263 3.038 3.509 . 0 0 "[ . 1 ]" 1
690 1 34 LYS HA 1 47 LEU H 0.000 . 5.000 4.445 4.261 4.723 . 0 0 "[ . 1 ]" 1
691 1 45 GLU HA 1 47 LEU H 0.000 . 5.000 5.185 4.796 5.491 0.491 9 0 "[ . 1 ]" 1
692 1 46 ILE HA 1 47 LEU H 0.000 . 5.000 3.384 3.186 3.508 . 0 0 "[ . 1 ]" 1
693 1 46 ILE HB 1 47 LEU H 0.000 . 5.000 1.533 1.467 1.673 . 0 0 "[ . 1 ]" 1
694 1 46 ILE MG 1 47 LEU H 0.000 . 6.500 2.128 1.569 2.532 . 0 0 "[ . 1 ]" 1
695 1 47 LEU H 1 47 LEU HG 0.000 . 5.000 4.482 4.234 4.724 . 0 0 "[ . 1 ]" 1
696 1 47 LEU HA 1 48 ASN H 0.000 . 3.500 2.169 2.086 2.279 . 0 0 "[ . 1 ]" 1
697 1 47 LEU QB 1 48 ASN H 0.000 . 6.000 3.278 3.077 3.486 . 0 0 "[ . 1 ]" 1
698 1 47 LEU MD2 1 48 ASN H 0.000 . 6.500 2.293 1.762 2.657 . 0 0 "[ . 1 ]" 1
699 1 47 LEU MD1 1 48 ASN H 0.000 . 6.500 4.002 3.844 4.186 . 0 0 "[ . 1 ]" 1
700 1 47 LEU HG 1 48 ASN H 0.000 . 5.000 2.434 2.111 2.940 . 0 0 "[ . 1 ]" 1
701 1 47 LEU H 1 48 ASN H 0.000 . 5.000 4.431 4.344 4.500 . 0 0 "[ . 1 ]" 1
702 1 48 ASN H 1 49 TRP H 0.000 . 5.000 3.879 3.671 4.213 . 0 0 "[ . 1 ]" 1
703 1 31 VAL MG2 1 49 TRP H 0.000 . 6.500 4.594 4.283 4.955 . 0 0 "[ . 1 ]" 1
704 1 32 GLN HA 1 49 TRP H 0.000 . 5.000 3.001 2.740 3.220 . 0 0 "[ . 1 ]" 1
705 1 48 ASN HA 1 49 TRP H 0.000 . 3.500 2.173 2.125 2.206 . 0 0 "[ . 1 ]" 1
706 1 49 TRP HA 1 49 TRP HE1 0.000 . 5.000 4.673 4.465 4.765 . 0 0 "[ . 1 ]" 1
707 1 49 TRP HE1 1 52 ASP HA 0.000 . 5.000 3.677 3.383 5.057 0.057 5 0 "[ . 1 ]" 1
708 1 49 TRP HE1 1 52 ASP QB 0.000 . 6.000 5.415 5.280 5.594 . 0 0 "[ . 1 ]" 1
709 1 49 TRP HE1 1 53 GLY QA 0.000 . 6.000 5.131 2.648 5.445 . 0 0 "[ . 1 ]" 1
710 1 49 TRP HA 1 50 TYR H 0.000 . 2.900 2.090 2.010 2.181 . 0 0 "[ . 1 ]" 1
711 1 49 TRP QB 1 50 TYR H 0.000 . 6.000 3.629 3.447 3.816 . 0 0 "[ . 1 ]" 1
712 1 49 TRP HD1 1 50 TYR H 0.000 . 5.000 4.445 3.475 4.714 . 0 0 "[ . 1 ]" 1
713 1 49 TRP HA 1 51 ASN H 0.000 . 5.000 5.263 5.145 5.324 0.324 10 0 "[ . 1 ]" 1
714 1 51 ASN HA 1 52 ASP H 0.000 . 5.000 2.920 2.192 3.560 . 0 0 "[ . 1 ]" 1
715 1 52 ASP HA 1 53 GLY H 0.000 . 5.000 2.971 2.815 3.575 . 0 0 "[ . 1 ]" 1
716 1 52 ASP QB 1 53 GLY H 0.000 . 6.000 3.687 2.192 4.013 . 0 0 "[ . 1 ]" 1
717 1 47 LEU QB 1 55 SER H 0.000 . 6.000 4.855 4.228 5.231 . 0 0 "[ . 1 ]" 1
718 1 47 LEU MD2 1 55 SER H 0.000 . 6.500 3.095 2.493 3.663 . 0 0 "[ . 1 ]" 1
719 1 48 ASN H 1 55 SER H 0.000 . 5.000 2.747 2.631 2.850 . 0 0 "[ . 1 ]" 1
720 1 48 ASN QB 1 55 SER H 0.000 . 6.000 3.837 3.386 4.647 . 0 0 "[ . 1 ]" 1
721 1 49 TRP QB 1 55 SER H 0.000 . 6.000 4.892 4.762 5.031 . 0 0 "[ . 1 ]" 1
722 1 54 PRO HA 1 55 SER H 0.000 . 3.500 2.222 2.180 2.289 . 0 0 "[ . 1 ]" 1
723 1 54 PRO QB 1 55 SER H 0.000 . 6.000 3.435 3.110 3.771 . 0 0 "[ . 1 ]" 1
724 1 54 PRO QG 1 56 TRP HE1 0.000 . 6.000 4.805 3.934 5.285 . 0 0 "[ . 1 ]" 1
725 1 55 SER HA 1 56 TRP H 0.000 . 2.900 2.214 2.121 2.344 . 0 0 "[ . 1 ]" 1
726 1 55 SER QB 1 56 TRP HE1 0.000 . 6.000 5.587 5.454 5.728 . 0 0 "[ . 1 ]" 1
727 1 55 SER QB 1 56 TRP H 0.000 . 6.000 2.896 2.466 3.273 . 0 0 "[ . 1 ]" 1
728 1 56 TRP H 1 56 TRP HD1 0.000 . 5.000 1.962 1.529 2.466 . 0 0 "[ . 1 ]" 1
729 1 56 TRP HA 1 57 SER H 0.000 . 2.900 2.395 2.263 2.489 . 0 0 "[ . 1 ]" 1
730 1 56 TRP QB 1 57 SER H 0.000 . 6.000 2.546 2.461 2.759 . 0 0 "[ . 1 ]" 1
731 1 56 TRP HE3 1 57 SER H 0.000 . 5.000 3.709 3.189 4.303 . 0 0 "[ . 1 ]" 1
732 1 57 SER H 1 58 ASN H 0.000 . 5.000 3.230 2.881 3.595 . 0 0 "[ . 1 ]" 1
733 1 57 SER H 1 59 VAL QG 0.000 . 7.400 5.294 3.354 5.924 . 0 0 "[ . 1 ]" 1
734 1 46 ILE HA 1 57 SER H 0.000 . 5.000 3.370 2.490 3.849 . 0 0 "[ . 1 ]" 1
735 1 57 SER H 1 61 PHE QD 0.000 . 7.000 4.180 3.721 4.814 . 0 0 "[ . 1 ]" 1
736 1 56 TRP HA 1 58 ASN H 0.000 . 5.000 5.208 4.830 5.571 0.571 10 1 "[ . + ]" 1
737 1 56 TRP QB 1 58 ASN H 0.000 . 6.000 3.773 3.144 4.492 . 0 0 "[ . 1 ]" 1
738 1 57 SER HA 1 58 ASN H 0.000 . 5.000 2.332 1.955 2.497 . 0 0 "[ . 1 ]" 1
739 1 57 SER QB 1 58 ASN H 0.000 . 6.000 3.898 3.569 4.050 . 0 0 "[ . 1 ]" 1
740 1 58 ASN H 1 61 PHE H 0.000 . 5.000 5.200 4.932 5.376 0.376 9 0 "[ . 1 ]" 1
741 1 58 ASN H 1 61 PHE QD 0.000 . 7.000 3.620 2.945 4.477 . 0 0 "[ . 1 ]" 1
742 1 56 TRP QB 1 61 PHE H 0.000 . 6.000 5.034 4.447 5.530 . 0 0 "[ . 1 ]" 1
743 1 58 ASN QB 1 61 PHE H 0.000 . 6.000 4.591 3.258 5.705 . 0 0 "[ . 1 ]" 1
744 1 60 SER HA 1 61 PHE H 0.000 . 5.000 3.152 2.774 3.318 . 0 0 "[ . 1 ]" 1
745 1 60 SER QB 1 61 PHE H 0.000 . 6.000 3.614 3.252 4.057 . 0 0 "[ . 1 ]" 1
746 1 61 PHE H 1 62 SER H 0.000 . 5.000 3.530 3.197 4.134 . 0 0 "[ . 1 ]" 1
747 1 60 SER HA 1 62 SER H 0.000 . 5.000 3.811 3.102 5.000 . 0 0 "[ . 1 ]" 1
748 1 60 SER QB 1 62 SER H 0.000 . 6.000 4.443 3.996 5.786 . 0 0 "[ . 1 ]" 1
749 1 61 PHE HA 1 62 SER H 0.000 . 5.000 2.690 2.023 3.510 . 0 0 "[ . 1 ]" 1
750 1 61 PHE QB 1 62 SER H 0.000 . 6.000 3.663 1.835 3.897 . 0 0 "[ . 1 ]" 1
751 1 62 SER H 1 63 ASP QB 0.000 . 6.000 3.874 3.020 5.555 . 0 0 "[ . 1 ]" 1
752 1 62 SER H 1 63 ASP H 0.000 . 5.000 1.840 1.089 3.889 . 0 0 "[ . 1 ]" 1
753 1 60 SER HA 1 63 ASP H 0.000 . 5.000 4.942 4.600 5.323 0.323 10 0 "[ . 1 ]" 1
754 1 62 SER HA 1 63 ASP H 0.000 . 5.000 3.289 3.035 3.477 . 0 0 "[ . 1 ]" 1
755 1 62 SER QB 1 63 ASP H 0.000 . 6.000 2.916 2.422 3.376 . 0 0 "[ . 1 ]" 1
756 1 63 ASP H 1 63 ASP QB 0.000 . 3.900 2.514 2.155 2.647 . 0 0 "[ . 1 ]" 1
757 1 62 SER H 1 64 ILE H 0.000 . 5.000 4.998 4.091 5.406 0.406 1 0 "[ . 1 ]" 1
758 1 63 ASP HA 1 64 ILE H 0.000 . 5.000 2.292 2.258 2.356 . 0 0 "[ . 1 ]" 1
759 1 63 ASP QB 1 64 ILE H 0.000 . 6.000 3.928 3.745 4.041 . 0 0 "[ . 1 ]" 1
760 1 64 ILE H 1 65 TYR H 0.000 . 5.000 4.323 4.287 4.418 . 0 0 "[ . 1 ]" 1
761 1 64 ILE HA 1 65 TYR H 0.000 . 5.000 2.433 2.236 2.509 . 0 0 "[ . 1 ]" 1
762 1 64 ILE HB 1 65 TYR H 0.000 . 5.000 3.125 1.811 3.560 . 0 0 "[ . 1 ]" 1
763 1 64 ILE MD 1 65 TYR H 0.000 . 6.500 3.821 3.254 4.048 . 0 0 "[ . 1 ]" 1
764 1 64 ILE QG 1 65 TYR H 0.000 . 6.000 2.705 1.620 3.904 . 0 0 "[ . 1 ]" 1
765 1 64 ILE MG 1 65 TYR H 0.000 . 6.500 1.747 1.584 2.568 . 0 0 "[ . 1 ]" 1
766 1 56 TRP HZ3 1 65 TYR H 0.000 . 5.000 3.902 3.141 4.306 . 0 0 "[ . 1 ]" 1
767 1 56 TRP HH2 1 65 TYR H 0.000 . 5.000 4.833 4.333 5.056 0.056 3 0 "[ . 1 ]" 1
768 1 65 TYR HA 1 66 GLY H 0.000 . 3.500 2.314 2.271 2.381 . 0 0 "[ . 1 ]" 1
769 1 65 TYR QB 1 66 GLY H 0.000 . 6.000 2.607 2.551 2.750 . 0 0 "[ . 1 ]" 1
770 1 65 TYR QD 1 66 GLY H 0.000 . 7.000 4.469 4.433 4.603 . 0 0 "[ . 1 ]" 1
771 1 66 GLY H 1 67 PHE H 0.000 . 5.000 4.278 4.157 4.432 . 0 0 "[ . 1 ]" 1
772 1 66 GLY H 1 74 LEU MD1 0.000 . 6.500 3.584 3.138 4.010 . 0 0 "[ . 1 ]" 1
773 1 66 GLY H 1 75 SER HA 0.000 . 5.000 4.509 4.372 4.887 . 0 0 "[ . 1 ]" 1
774 1 66 GLY H 1 75 SER QB 0.000 . 6.000 3.447 2.993 3.932 . 0 0 "[ . 1 ]" 1
775 1 66 GLY H 1 75 SER H 0.000 . 3.500 2.898 2.661 3.131 . 0 0 "[ . 1 ]" 1
776 1 66 GLY H 1 76 ILE HA 0.000 . 3.500 3.551 3.489 3.593 0.093 1 0 "[ . 1 ]" 1
777 1 66 GLY H 1 76 ILE QG 0.000 . 6.000 4.907 4.763 5.004 . 0 0 "[ . 1 ]" 1
778 1 33 TRP HZ2 1 66 GLY H 0.000 . 5.000 5.167 4.969 5.302 0.302 13 0 "[ . 1 ]" 1
779 1 56 TRP HH2 1 66 GLY H 0.000 . 5.000 4.919 4.717 5.093 0.093 4 0 "[ . 1 ]" 1
780 1 56 TRP HZ2 1 67 PHE H 0.000 . 5.000 4.225 3.752 5.036 0.036 9 0 "[ . 1 ]" 1
781 1 66 GLY QA 1 67 PHE H 0.000 . 3.900 2.169 2.123 2.240 . 0 0 "[ . 1 ]" 1
782 1 67 PHE HA 1 68 ASP H 0.000 . 2.900 2.253 2.144 2.330 . 0 0 "[ . 1 ]" 1
783 1 67 PHE QB 1 68 ASP H 0.000 . 6.000 3.414 3.278 3.665 . 0 0 "[ . 1 ]" 1
784 1 67 PHE QD 1 68 ASP H 0.000 . 7.000 2.514 2.212 3.058 . 0 0 "[ . 1 ]" 1
785 1 68 ASP H 1 73 ALA H 0.000 . 3.500 3.358 2.805 3.542 0.042 1 0 "[ . 1 ]" 1
786 1 68 ASP H 1 74 LEU HA 0.000 . 5.000 3.270 2.451 3.773 . 0 0 "[ . 1 ]" 1
787 1 67 PHE QD 1 69 TYR H 0.000 . 7.000 4.468 3.937 5.650 . 0 0 "[ . 1 ]" 1
788 1 68 ASP HA 1 69 TYR H 0.000 . 2.900 2.314 2.228 2.393 . 0 0 "[ . 1 ]" 1
789 1 69 TYR H 1 70 GLY H 0.000 . 5.000 4.469 3.947 4.586 . 0 0 "[ . 1 ]" 1
790 1 69 TYR QB 1 70 GLY H 0.000 . 6.000 2.603 2.035 3.135 . 0 0 "[ . 1 ]" 1
791 1 69 TYR QD 1 70 GLY H 0.000 . 7.000 2.896 1.948 4.016 . 0 0 "[ . 1 ]" 1
792 1 70 GLY H 1 71 ASP QB 0.000 . 6.000 4.523 4.278 4.838 . 0 0 "[ . 1 ]" 1
793 1 70 GLY H 1 71 ASP H 0.000 . 3.500 1.801 1.586 2.245 . 0 0 "[ . 1 ]" 1
794 1 70 GLY H 1 72 PHE H 0.000 . 5.000 5.119 4.958 5.215 0.215 6 0 "[ . 1 ]" 1
795 1 70 GLY QA 1 71 ASP H 0.000 . 6.000 2.742 2.465 2.803 . 0 0 "[ . 1 ]" 1
796 1 71 ASP H 1 72 PHE HA 0.000 . 5.000 4.045 3.884 4.506 . 0 0 "[ . 1 ]" 1
797 1 71 ASP H 1 72 PHE QD 0.000 . 7.000 4.756 2.810 5.209 . 0 0 "[ . 1 ]" 1
798 1 71 ASP H 1 72 PHE H 0.000 . 3.500 3.473 3.206 3.744 0.244 6 0 "[ . 1 ]" 1
799 1 71 ASP H 1 73 ALA MB 0.000 . 6.500 4.912 4.467 5.360 . 0 0 "[ . 1 ]" 1
800 1 71 ASP H 1 73 ALA H 0.000 . 5.000 4.838 4.386 5.113 0.113 4 0 "[ . 1 ]" 1
801 1 69 TYR HA 1 72 PHE H 0.000 . 5.000 5.081 4.999 5.206 0.206 13 0 "[ . 1 ]" 1
802 1 71 ASP HA 1 72 PHE H 0.000 . 5.000 3.153 2.167 3.462 . 0 0 "[ . 1 ]" 1
803 1 71 ASP QB 1 72 PHE H 0.000 . 6.000 2.163 1.625 3.768 . 0 0 "[ . 1 ]" 1
804 1 72 PHE H 1 73 ALA MB 0.000 . 6.500 4.028 3.619 4.826 . 0 0 "[ . 1 ]" 1
805 1 72 PHE H 1 73 ALA H 0.000 . 5.000 3.929 3.679 4.336 . 0 0 "[ . 1 ]" 1
806 1 20 ARG HA 1 73 ALA H 0.000 . 5.000 4.928 4.638 5.161 0.161 10 0 "[ . 1 ]" 1
807 1 21 PRO QD 1 73 ALA H 0.000 . 6.000 4.134 3.937 4.494 . 0 0 "[ . 1 ]" 1
808 1 69 TYR HA 1 73 ALA H 0.000 . 5.000 4.003 3.669 4.795 . 0 0 "[ . 1 ]" 1
809 1 71 ASP QB 1 73 ALA H 0.000 . 6.000 5.008 4.751 5.356 . 0 0 "[ . 1 ]" 1
810 1 72 PHE HA 1 73 ALA H 0.000 . 5.000 2.141 2.037 2.230 . 0 0 "[ . 1 ]" 1
811 1 72 PHE QD 1 73 ALA H 0.000 . 7.000 4.300 3.676 4.787 . 0 0 "[ . 1 ]" 1
812 1 20 ARG HA 1 74 LEU H 0.000 . 5.000 2.798 2.456 3.088 . 0 0 "[ . 1 ]" 1
813 1 20 ARG QB 1 74 LEU H 0.000 . 6.000 3.957 3.040 4.555 . 0 0 "[ . 1 ]" 1
814 1 73 ALA HA 1 74 LEU H 0.000 . 2.900 2.143 2.046 2.229 . 0 0 "[ . 1 ]" 1
815 1 74 LEU H 1 74 LEU HG 0.000 . 5.000 4.550 2.235 5.083 0.083 2 0 "[ . 1 ]" 1
816 1 65 TYR QB 1 75 SER H 0.000 . 6.000 3.811 3.369 4.115 . 0 0 "[ . 1 ]" 1
817 1 67 PHE HA 1 75 SER H 0.000 . 5.000 3.176 2.999 3.354 . 0 0 "[ . 1 ]" 1
818 1 67 PHE QD 1 75 SER H 0.000 . 6.000 4.893 4.132 5.590 . 0 0 "[ . 1 ]" 1
819 1 68 ASP H 1 75 SER H 0.000 . 5.000 4.692 4.283 5.105 0.105 3 0 "[ . 1 ]" 1
820 1 74 LEU HA 1 75 SER H 0.000 . 2.900 2.183 2.133 2.253 . 0 0 "[ . 1 ]" 1
821 1 74 LEU MD1 1 75 SER H 0.000 . 6.500 2.763 2.337 3.174 . 0 0 "[ . 1 ]" 1
822 1 74 LEU MD2 1 75 SER H 0.000 . 6.500 2.449 1.559 4.845 . 0 0 "[ . 1 ]" 1
823 1 74 LEU HG 1 75 SER H 0.000 . 5.000 4.557 4.104 5.009 0.009 12 0 "[ . 1 ]" 1
824 1 18 GLN HA 1 76 ILE H 0.000 . 5.000 3.445 3.064 3.932 . 0 0 "[ . 1 ]" 1
825 1 75 SER HA 1 76 ILE H 0.000 . 2.900 2.166 2.135 2.217 . 0 0 "[ . 1 ]" 1
826 1 75 SER QB 1 76 ILE H 0.000 . 6.000 3.266 2.877 3.672 . 0 0 "[ . 1 ]" 1
827 1 76 ILE H 1 76 ILE HB 0.000 . 3.500 2.168 2.128 2.252 . 0 0 "[ . 1 ]" 1
828 1 33 TRP HH2 1 77 LYS H 0.000 . 6.000 5.810 5.580 6.082 0.082 10 0 "[ . 1 ]" 1
829 1 65 TYR QD 1 77 LYS H 0.000 . 5.300 2.622 2.246 2.932 . 0 0 "[ . 1 ]" 1
830 1 65 TYR HA 1 77 LYS H 0.000 . 5.000 2.027 1.835 2.655 . 0 0 "[ . 1 ]" 1
831 1 76 ILE HA 1 77 LYS H 0.000 . 3.500 2.147 2.101 2.169 . 0 0 "[ . 1 ]" 1
832 1 76 ILE MG 1 77 LYS H 0.000 . 6.500 2.667 1.963 2.932 . 0 0 "[ . 1 ]" 1
833 1 77 LYS H 1 78 SER H 0.000 . 5.000 3.593 3.199 3.701 . 0 0 "[ . 1 ]" 1
834 1 76 ILE HA 1 78 SER H 0.000 . 5.000 5.115 4.926 5.200 0.200 9 0 "[ . 1 ]" 1
835 1 76 ILE MG 1 78 SER H 0.000 . 5.000 2.730 2.161 2.880 . 0 0 "[ . 1 ]" 1
836 1 77 LYS QB 1 78 SER H 0.000 . 4.500 3.867 3.636 4.022 . 0 0 "[ . 1 ]" 1
837 1 77 LYS QG 1 78 SER H 0.000 . 6.000 3.731 3.303 4.429 . 0 0 "[ . 1 ]" 1
838 1 78 SER H 1 79 ALA H 0.000 . 5.000 1.520 1.263 1.940 . 0 0 "[ . 1 ]" 1
839 1 14 GLY QA 1 79 ALA H 0.000 . 6.000 4.869 4.641 5.139 . 0 0 "[ . 1 ]" 1
840 1 16 PRO HA 1 79 ALA H 0.000 . 5.000 4.161 3.711 4.568 . 0 0 "[ . 1 ]" 1
841 1 15 LYS QB 1 79 ALA H 0.000 . 6.000 4.226 3.694 5.347 . 0 0 "[ . 1 ]" 1
842 1 16 PRO QB 1 79 ALA H 0.000 . 6.000 4.937 4.523 5.336 . 0 0 "[ . 1 ]" 1
843 1 76 ILE MD 1 79 ALA H 0.000 . 6.500 4.399 4.258 4.703 . 0 0 "[ . 1 ]" 1
844 1 76 ILE MG 1 79 ALA H 0.000 . 6.500 3.090 2.725 3.278 . 0 0 "[ . 1 ]" 1
845 1 78 SER HA 1 79 ALA H 0.000 . 2.900 3.337 3.238 3.396 0.496 10 0 "[ . 1 ]" 1
846 1 78 SER QB 1 79 ALA H 0.000 . 6.000 2.702 1.996 3.455 . 0 0 "[ . 1 ]" 1
847 1 79 ALA H 1 80 LYS H 0.000 . 5.000 3.003 2.815 3.535 . 0 0 "[ . 1 ]" 1
848 1 13 SER HA 1 80 LYS H 0.000 . 5.000 4.685 3.705 5.210 0.210 3 0 "[ . 1 ]" 1
849 1 76 ILE MD 1 80 LYS H 0.000 . 6.500 5.167 4.724 5.403 . 0 0 "[ . 1 ]" 1
850 1 76 ILE MG 1 80 LYS H 0.000 . 6.500 4.641 4.420 4.867 . 0 0 "[ . 1 ]" 1
851 1 79 ALA HA 1 80 LYS H 0.000 . 2.900 2.815 2.260 3.114 0.214 13 0 "[ . 1 ]" 1
852 1 79 ALA MB 1 80 LYS H 0.000 . 5.000 3.590 3.406 3.715 . 0 0 "[ . 1 ]" 1
853 1 80 LYS H 1 83 ASP QB 0.000 . 6.000 3.483 2.336 4.698 . 0 0 "[ . 1 ]" 1
854 1 80 LYS H 1 83 ASP H 0.000 . 5.000 3.482 3.219 3.957 . 0 0 "[ . 1 ]" 1
855 1 80 LYS QB 1 81 LEU H 0.000 . 6.000 2.551 1.954 2.930 . 0 0 "[ . 1 ]" 1
856 1 81 LEU H 1 81 LEU HG 0.000 . 5.000 3.950 3.143 4.445 . 0 0 "[ . 1 ]" 1
857 1 81 LEU H 1 82 GLN QG 0.000 . 6.000 4.097 3.570 4.717 . 0 0 "[ . 1 ]" 1
858 1 80 LYS HA 1 82 GLN H 0.000 . 5.000 3.916 3.640 4.355 . 0 0 "[ . 1 ]" 1
859 1 15 LYS QG 1 83 ASP H 0.000 . 6.000 5.459 4.497 5.682 . 0 0 "[ . 1 ]" 1
860 1 76 ILE MD 1 83 ASP H 0.000 . 6.500 4.660 3.774 5.311 . 0 0 "[ . 1 ]" 1
861 1 76 ILE MG 1 83 ASP H 0.000 . 6.500 5.170 4.256 5.475 . 0 0 "[ . 1 ]" 1
862 1 80 LYS HA 1 83 ASP H 0.000 . 5.000 4.717 4.353 4.982 . 0 0 "[ . 1 ]" 1
863 1 80 LYS QB 1 83 ASP H 0.000 . 6.000 3.423 2.543 3.626 . 0 0 "[ . 1 ]" 1
864 1 80 LYS QG 1 83 ASP H 0.000 . 6.000 5.063 4.104 5.458 . 0 0 "[ . 1 ]" 1
865 1 81 LEU HA 1 83 ASP H 0.000 . 5.000 3.757 3.425 4.069 . 0 0 "[ . 1 ]" 1
866 1 82 GLN HA 1 83 ASP H 0.000 . 5.000 3.507 3.399 3.582 . 0 0 "[ . 1 ]" 1
867 1 82 GLN QB 1 83 ASP H 0.000 . 6.000 3.251 2.706 3.653 . 0 0 "[ . 1 ]" 1
868 1 82 GLN QG 1 83 ASP H 0.000 . 6.000 2.721 1.764 3.957 . 0 0 "[ . 1 ]" 1
869 1 82 GLN H 1 83 ASP H 0.000 . 5.000 2.687 2.491 2.857 . 0 0 "[ . 1 ]" 1
870 1 83 ASP H 1 84 SER H 0.000 . 3.500 2.632 2.417 2.952 . 0 0 "[ . 1 ]" 1
871 1 15 LYS QB 1 84 SER H 0.000 . 6.000 5.423 5.220 5.664 . 0 0 "[ . 1 ]" 1
872 1 15 LYS QG 1 84 SER H 0.000 . 6.000 5.143 4.001 5.500 . 0 0 "[ . 1 ]" 1
873 1 76 ILE MD 1 84 SER H 0.000 . 6.500 5.246 5.021 5.454 . 0 0 "[ . 1 ]" 1
874 1 83 ASP QB 1 84 SER H 0.000 . 6.000 2.740 2.165 3.452 . 0 0 "[ . 1 ]" 1
875 1 84 SER H 1 85 GLY QA 0.000 . 6.000 5.029 4.927 5.202 . 0 0 "[ . 1 ]" 1
876 1 84 SER H 1 85 GLY H 0.000 . 5.000 4.368 4.277 4.505 . 0 0 "[ . 1 ]" 1
877 1 84 SER HA 1 85 GLY H 0.000 . 3.500 2.101 2.006 2.192 . 0 0 "[ . 1 ]" 1
878 1 84 SER QB 1 85 GLY H 0.000 . 6.000 3.612 3.247 3.833 . 0 0 "[ . 1 ]" 1
879 1 85 GLY H 1 86 HIS H 0.000 . 5.000 4.359 4.321 4.377 . 0 0 "[ . 1 ]" 1
880 1 85 GLY H 1 87 TYR QE 0.000 . 7.000 2.953 2.433 3.514 . 0 0 "[ . 1 ]" 1
881 1 85 GLY H 1 104 GLN HA 0.000 . 5.000 4.675 4.287 4.942 . 0 0 "[ . 1 ]" 1
882 1 85 GLY H 1 105 LEU QB 0.000 . 6.000 2.093 1.873 2.424 . 0 0 "[ . 1 ]" 1
883 1 85 GLY H 1 105 LEU MD2 0.000 . 6.500 4.212 3.972 4.416 . 0 0 "[ . 1 ]" 1
884 1 85 GLY H 1 105 LEU HG 0.000 . 5.000 4.390 4.065 5.171 0.171 12 0 "[ . 1 ]" 1
885 1 85 GLY H 1 105 LEU H 0.000 . 3.500 2.875 2.565 3.031 . 0 0 "[ . 1 ]" 1
886 1 85 GLY H 1 106 LEU HA 0.000 . 5.000 4.494 4.139 4.739 . 0 0 "[ . 1 ]" 1
887 1 85 GLY H 1 107 ILE H 0.000 . 5.000 5.103 4.908 5.311 0.311 9 0 "[ . 1 ]" 1
888 1 37 GLU HA 1 86 HIS H 0.000 . 5.000 4.219 3.558 4.507 . 0 0 "[ . 1 ]" 1
889 1 85 GLY QA 1 86 HIS H 0.000 . 3.900 2.254 2.193 2.288 . 0 0 "[ . 1 ]" 1
890 1 86 HIS H 1 87 TYR H 0.000 . 5.000 4.274 4.201 4.372 . 0 0 "[ . 1 ]" 1
891 1 86 HIS HA 1 87 TYR H 0.000 . 2.900 2.177 2.134 2.251 . 0 0 "[ . 1 ]" 1
892 1 86 HIS QB 1 87 TYR H 0.000 . 6.000 3.790 3.543 4.040 . 0 0 "[ . 1 ]" 1
893 1 86 HIS HD2 1 87 TYR H 0.000 . 5.000 3.876 2.470 4.666 . 0 0 "[ . 1 ]" 1
894 1 87 TYR H 1 87 TYR QE 0.000 . 7.000 4.343 3.970 4.594 . 0 0 "[ . 1 ]" 1
895 1 87 TYR H 1 103 PHE H 0.000 . 3.500 3.434 3.290 3.548 0.048 11 0 "[ . 1 ]" 1
896 1 87 TYR H 1 104 GLN H 0.000 . 5.000 4.890 4.725 5.019 0.019 7 0 "[ . 1 ]" 1
897 1 33 TRP HA 1 88 LEU H 0.000 . 5.000 4.512 4.076 4.989 . 0 0 "[ . 1 ]" 1
898 1 33 TRP HE3 1 88 LEU H 0.000 . 5.000 3.983 3.562 4.680 . 0 0 "[ . 1 ]" 1
899 1 35 LYS HA 1 88 LEU H 0.000 . 5.000 3.633 3.352 3.809 . 0 0 "[ . 1 ]" 1
900 1 87 TYR HA 1 88 LEU H 0.000 . 3.500 2.243 2.179 2.297 . 0 0 "[ . 1 ]" 1
901 1 87 TYR QB 1 88 LEU H 0.000 . 6.000 2.639 2.317 2.929 . 0 0 "[ . 1 ]" 1
902 1 87 TYR QD 1 88 LEU H 0.000 . 7.000 4.353 4.174 4.592 . 0 0 "[ . 1 ]" 1
903 1 88 LEU H 1 88 LEU HG 0.000 . 5.000 4.533 4.084 5.079 0.079 2 0 "[ . 1 ]" 1
904 1 88 LEU HA 1 89 LEU H 0.000 . 2.900 2.063 2.003 2.184 . 0 0 "[ . 1 ]" 1
905 1 88 LEU QB 1 89 LEU H 0.000 . 6.000 3.686 2.863 3.917 . 0 0 "[ . 1 ]" 1
906 1 88 LEU QD 1 89 LEU H 0.000 . 7.400 2.873 1.994 4.046 . 0 0 "[ . 1 ]" 1
907 1 89 LEU H 1 101 LYS QD 0.000 . 6.000 3.940 2.925 4.718 . 0 0 "[ . 1 ]" 1
908 1 89 LEU H 1 101 LYS H 0.000 . 3.500 3.205 2.833 3.524 0.024 6 0 "[ . 1 ]" 1
909 1 89 LEU H 1 102 ASN HA 0.000 . 5.000 3.460 3.089 3.752 . 0 0 "[ . 1 ]" 1
910 1 89 LEU H 1 103 PHE QD 0.000 . 7.000 3.973 3.519 4.728 . 0 0 "[ . 1 ]" 1
911 1 33 TRP HA 1 90 GLU H 0.000 . 5.000 3.008 2.527 3.363 . 0 0 "[ . 1 ]" 1
912 1 89 LEU HA 1 90 GLU H 0.000 . 2.900 2.164 2.126 2.248 . 0 0 "[ . 1 ]" 1
913 1 89 LEU MD2 1 90 GLU H 0.000 . 6.500 3.782 3.588 3.984 . 0 0 "[ . 1 ]" 1
914 1 89 LEU MD1 1 90 GLU H 0.000 . 6.500 2.286 1.734 4.373 . 0 0 "[ . 1 ]" 1
915 1 90 GLU H 1 101 LYS QD 0.000 . 6.000 5.062 4.619 5.421 . 0 0 "[ . 1 ]" 1
916 1 90 GLU HA 1 91 ILE H 0.000 . 5.000 2.168 2.100 2.331 . 0 0 "[ . 1 ]" 1
917 1 90 GLU QB 1 91 ILE H 0.000 . 6.000 3.174 2.531 3.627 . 0 0 "[ . 1 ]" 1
918 1 94 THR HA 1 95 GLY H 0.000 . 5.000 2.850 2.153 3.572 . 0 0 "[ . 1 ]" 1
919 1 3 PRO HA 1 98 VAL H 0.000 . 5.000 4.908 4.440 5.058 0.058 4 0 "[ . 1 ]" 1
920 1 2 CYS HA 1 99 CYS H 0.000 . 5.000 4.621 3.349 5.073 0.073 2 0 "[ . 1 ]" 1
921 1 2 CYS HA 1 100 ASN H 0.000 . 5.000 4.080 2.813 5.341 0.341 1 0 "[ . 1 ]" 1
922 1 88 LEU QD 1 101 LYS H 0.000 . 7.400 3.205 1.998 4.744 . 0 0 "[ . 1 ]" 1
923 1 90 GLU HA 1 101 LYS H 0.000 . 5.000 4.117 3.734 4.332 . 0 0 "[ . 1 ]" 1
924 1 100 ASN HA 1 101 LYS H 0.000 . 2.900 2.202 2.114 2.360 . 0 0 "[ . 1 ]" 1
925 1 100 ASN QB 1 101 LYS H 0.000 . 6.000 3.188 2.509 3.985 . 0 0 "[ . 1 ]" 1
926 1 6 SER HA 1 102 ASN H 0.000 . 3.500 3.160 2.624 3.503 0.003 3 0 "[ . 1 ]" 1
927 1 6 SER QB 1 102 ASN H 0.000 . 6.000 4.136 3.573 4.696 . 0 0 "[ . 1 ]" 1
928 1 101 LYS HA 1 102 ASN H 0.000 . 2.900 2.201 2.132 2.357 . 0 0 "[ . 1 ]" 1
929 1 101 LYS QB 1 102 ASN H 0.000 . 6.000 3.212 2.623 3.654 . 0 0 "[ . 1 ]" 1
930 1 88 LEU HA 1 103 PHE H 0.000 . 3.500 3.517 3.321 3.631 0.131 4 0 "[ . 1 ]" 1
931 1 88 LEU QD 1 103 PHE H 0.000 . 7.400 4.167 3.195 4.898 . 0 0 "[ . 1 ]" 1
932 1 102 ASN HA 1 103 PHE H 0.000 . 2.900 2.191 2.132 2.350 . 0 0 "[ . 1 ]" 1
933 1 102 ASN QB 1 103 PHE H 0.000 . 6.000 3.250 2.534 3.800 . 0 0 "[ . 1 ]" 1
934 1 103 PHE H 1 103 PHE QD 0.000 . 5.500 3.262 2.817 3.688 . 0 0 "[ . 1 ]" 1
935 1 8 GLU HA 1 104 GLN H 0.000 . 5.000 2.906 2.068 3.383 . 0 0 "[ . 1 ]" 1
936 1 103 PHE HA 1 104 GLN H 0.000 . 2.900 2.153 2.133 2.204 . 0 0 "[ . 1 ]" 1
937 1 103 PHE QB 1 104 GLN H 0.000 . 6.000 3.501 3.111 3.666 . 0 0 "[ . 1 ]" 1
938 1 84 SER QB 1 105 LEU H 0.000 . 6.000 5.458 5.049 5.653 . 0 0 "[ . 1 ]" 1
939 1 86 HIS HA 1 105 LEU H 0.000 . 5.000 3.463 3.171 3.713 . 0 0 "[ . 1 ]" 1
940 1 87 TYR QD 1 105 LEU H 0.000 . 7.000 4.130 3.817 4.670 . 0 0 "[ . 1 ]" 1
941 1 87 TYR QE 1 105 LEU H 0.000 . 7.000 4.305 3.385 4.865 . 0 0 "[ . 1 ]" 1
942 1 104 GLN HA 1 105 LEU H 0.000 . 2.900 2.133 2.077 2.186 . 0 0 "[ . 1 ]" 1
943 1 104 GLN QB 1 105 LEU H 0.000 . 6.000 3.709 3.400 3.984 . 0 0 "[ . 1 ]" 1
944 1 104 GLN QG 1 105 LEU H 0.000 . 6.000 3.660 2.892 4.367 . 0 0 "[ . 1 ]" 1
945 1 105 LEU H 1 105 LEU HG 0.000 . 5.000 4.238 4.010 4.500 . 0 0 "[ . 1 ]" 1
946 1 105 LEU H 1 106 LEU H 0.000 . 5.000 4.269 4.089 4.469 . 0 0 "[ . 1 ]" 1
947 1 105 LEU HA 1 106 LEU H 0.000 . 2.900 2.125 1.891 2.195 . 0 0 "[ . 1 ]" 1
948 1 105 LEU QB 1 106 LEU H 0.000 . 6.000 3.542 3.237 3.766 . 0 0 "[ . 1 ]" 1
949 1 105 LEU MD1 1 106 LEU H 0.000 . 5.000 3.195 2.358 4.672 . 0 0 "[ . 1 ]" 1
950 1 106 LEU H 1 106 LEU HG 0.000 . 5.000 4.239 1.791 4.586 . 0 0 "[ . 1 ]" 1
951 1 106 LEU H 1 107 ILE H 0.000 . 5.000 3.964 3.783 4.187 . 0 0 "[ . 1 ]" 1
952 1 10 VAL HA 1 106 LEU H 0.000 . 5.000 2.983 2.626 3.200 . 0 0 "[ . 1 ]" 1
953 1 81 LEU HA 1 107 ILE H 0.000 . 5.000 4.937 4.274 5.192 0.192 4 0 "[ . 1 ]" 1
954 1 84 SER QB 1 107 ILE H 0.000 . 6.000 1.892 1.535 2.767 . 0 0 "[ . 1 ]" 1
955 1 106 LEU HA 1 107 ILE H 0.000 . 2.900 2.182 2.146 2.214 . 0 0 "[ . 1 ]" 1
956 1 106 LEU QB 1 107 ILE H 0.000 . 6.000 3.969 3.715 4.054 . 0 0 "[ . 1 ]" 1
957 1 106 LEU QD 1 107 ILE H 0.000 . 5.900 3.469 2.701 4.344 . 0 0 "[ . 1 ]" 1
958 1 107 ILE H 1 107 ILE HB 0.000 . 3.500 3.589 2.870 3.764 0.264 6 0 "[ . 1 ]" 1
959 1 107 ILE H 1 108 LEU H 0.000 . 5.000 4.534 4.485 4.609 . 0 0 "[ . 1 ]" 1
960 1 12 VAL HA 1 108 LEU H 0.000 . 3.500 2.324 1.896 2.586 . 0 0 "[ . 1 ]" 1
961 1 13 SER QB 1 108 LEU H 0.000 . 6.000 5.482 5.274 5.704 . 0 0 "[ . 1 ]" 1
962 1 108 LEU H 1 108 LEU HA 0.000 . 2.900 2.969 2.937 2.991 0.091 3 0 "[ . 1 ]" 1
963 1 108 LEU H 1 108 LEU HG 0.000 . 5.000 3.910 2.274 4.728 . 0 0 "[ . 1 ]" 1
964 1 108 LEU H 1 109 ASP H 0.000 . 5.000 4.421 4.209 4.592 . 0 0 "[ . 1 ]" 1
965 1 108 LEU HA 1 109 ASP H 0.000 . 2.900 2.440 2.122 2.874 . 0 0 "[ . 1 ]" 1
966 1 108 LEU QB 1 109 ASP H 0.000 . 3.900 2.823 1.844 3.691 . 0 0 "[ . 1 ]" 1
967 1 108 LEU QD 1 109 ASP H 0.000 . 5.900 2.631 1.617 3.599 . 0 0 "[ . 1 ]" 1
968 1 50 TYR H 1 54 PRO HA 0.000 . 5.000 3.708 3.053 4.130 . 0 0 "[ . 1 ]" 1
969 1 49 TRP HA 1 55 SER H 0.000 . 5.000 3.589 3.373 3.812 . 0 0 "[ . 1 ]" 1
970 1 47 LEU HA 1 57 SER H 0.000 . 5.000 3.855 3.189 4.310 . 0 0 "[ . 1 ]" 1
971 1 46 ILE H 1 57 SER H 0.000 . 5.000 3.924 3.483 4.454 . 0 0 "[ . 1 ]" 1
972 1 48 ASN H 1 56 TRP HA 0.000 . 5.000 3.967 3.655 4.223 . 0 0 "[ . 1 ]" 1
973 1 67 PHE HZ 1 73 ALA H 0.000 . 5.000 3.117 2.575 3.730 . 0 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 121.657
_Distance_constraint_stats_list.Viol_max 1.003
_Distance_constraint_stats_list.Viol_rms 0.1126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6207
_Distance_constraint_stats_list.Viol_average_violations_only 0.6207
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 CYS 8.690 1.003 10 14 [***-*****+****]
1 99 CYS 8.690 1.003 10 14 [***-*****+****]
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 CYS SG 1 99 CYS SG 2.020 . 2.120 2.741 2.698 3.123 1.003 10 14 [***-*****+****] 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 394
_Distance_constraint_stats_list.Viol_total 873.945
_Distance_constraint_stats_list.Viol_max 2.256
_Distance_constraint_stats_list.Viol_rms 0.1477
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0531
_Distance_constraint_stats_list.Viol_average_violations_only 0.1584
_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 5 SER 0.509 0.088 1 0 "[ . 1 ]"
1 7 GLU 0.406 0.127 10 0 "[ . 1 ]"
1 9 VAL 0.397 0.101 13 0 "[ . 1 ]"
1 11 GLY 1.072 0.185 2 0 "[ . 1 ]"
1 17 VAL 2.735 0.443 10 0 "[ . 1 ]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 21 PRO 6.644 0.531 2 3 "[ + -.* 1 ]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 32 GLN 1.351 0.134 12 0 "[ . 1 ]"
1 33 TRP 4.022 0.252 11 0 "[ . 1 ]"
1 34 LYS 3.776 0.313 12 0 "[ . 1 ]"
1 35 LYS 7.740 2.256 12 4 "[ * - 1 +* ]"
1 36 THR 1.982 0.180 3 0 "[ . 1 ]"
1 37 GLU 11.431 2.256 12 4 "[ * - 1 +* ]"
1 42 ARG 3.691 0.407 13 0 "[ . 1 ]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 46 ILE 8.725 0.632 10 3 "[ - . *+ ]"
1 47 LEU 4.022 0.252 11 0 "[ . 1 ]"
1 48 ASN 2.178 0.168 7 0 "[ . 1 ]"
1 49 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 50 TYR 3.139 0.229 1 0 "[ . 1 ]"
1 53 GLY 3.139 0.229 1 0 "[ . 1 ]"
1 55 SER 2.178 0.168 7 0 "[ . 1 ]"
1 57 SER 8.725 0.632 10 3 "[ - . *+ ]"
1 64 ILE 7.751 0.420 3 0 "[ . 1 ]"
1 66 GLY 0.047 0.047 3 0 "[ . 1 ]"
1 68 ASP 2.369 0.196 9 0 "[ . 1 ]"
1 72 PHE 6.644 0.531 2 3 "[ + -.* 1 ]"
1 73 ALA 2.369 0.196 9 0 "[ . 1 ]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 75 SER 0.047 0.047 3 0 "[ . 1 ]"
1 76 ILE 2.735 0.443 10 0 "[ . 1 ]"
1 77 LYS 7.751 0.420 3 0 "[ . 1 ]"
1 81 LEU 0.993 0.301 5 0 "[ . 1 ]"
1 84 SER 0.993 0.301 5 0 "[ . 1 ]"
1 85 GLY 1.923 0.270 7 0 "[ . 1 ]"
1 86 HIS 1.982 0.180 3 0 "[ . 1 ]"
1 87 TYR 0.142 0.042 5 0 "[ . 1 ]"
1 88 LEU 3.776 0.313 12 0 "[ . 1 ]"
1 89 LEU 0.834 0.150 2 0 "[ . 1 ]"
1 90 GLU 1.351 0.134 12 0 "[ . 1 ]"
1 101 LYS 0.834 0.150 2 0 "[ . 1 ]"
1 102 ASN 0.509 0.088 1 0 "[ . 1 ]"
1 103 PHE 0.142 0.042 5 0 "[ . 1 ]"
1 104 GLN 0.406 0.127 10 0 "[ . 1 ]"
1 105 LEU 1.923 0.270 7 0 "[ . 1 ]"
1 106 LEU 0.397 0.101 13 0 "[ . 1 ]"
1 108 LEU 1.072 0.185 2 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLY O 1 108 LEU N 0.000 . 3.300 3.176 2.622 3.330 0.030 2 0 "[ . 1 ]" 3
2 1 11 GLY O 1 108 LEU H 0.000 . 2.300 2.334 1.939 2.485 0.185 2 0 "[ . 1 ]" 3
3 1 9 VAL O 1 106 LEU N 0.000 . 3.300 3.216 3.072 3.316 0.016 12 0 "[ . 1 ]" 3
4 1 9 VAL O 1 106 LEU H 0.000 . 2.300 2.289 2.169 2.401 0.101 13 0 "[ . 1 ]" 3
5 1 7 GLU O 1 104 GLN N 0.000 . 3.300 3.157 2.778 3.331 0.031 12 0 "[ . 1 ]" 3
6 1 7 GLU O 1 104 GLN H 0.000 . 2.300 2.226 1.820 2.427 0.127 10 0 "[ . 1 ]" 3
7 1 5 SER O 1 102 ASN N 0.000 . 3.300 3.223 2.822 3.341 0.041 1 0 "[ . 1 ]" 3
8 1 5 SER O 1 102 ASN H 0.000 . 2.300 2.302 2.051 2.388 0.088 1 0 "[ . 1 ]" 3
9 1 17 VAL O 1 76 ILE N 0.000 . 3.300 2.689 2.566 2.962 . 0 0 "[ . 1 ]" 3
10 1 17 VAL O 1 76 ILE H 0.000 . 2.300 1.843 1.650 2.287 . 0 0 "[ . 1 ]" 3
11 1 17 VAL N 1 76 ILE O 0.000 . 3.300 3.185 3.079 3.276 . 0 0 "[ . 1 ]" 3
12 1 17 VAL H 1 76 ILE O 0.000 . 2.300 2.491 2.241 2.743 0.443 10 0 "[ . 1 ]" 3
13 1 19 LEU O 1 74 LEU N 0.000 . 3.300 2.604 2.402 3.068 . 0 0 "[ . 1 ]" 3
14 1 19 LEU O 1 74 LEU H 0.000 . 2.300 1.761 1.512 2.177 . 0 0 "[ . 1 ]" 3
15 1 19 LEU N 1 74 LEU O 0.000 . 3.300 2.480 2.348 2.789 . 0 0 "[ . 1 ]" 3
16 1 19 LEU H 1 74 LEU O 0.000 . 2.300 1.775 1.607 2.032 . 0 0 "[ . 1 ]" 3
17 1 21 PRO O 1 72 PHE N 0.000 . 4.300 4.226 4.038 4.334 0.034 6 0 "[ . 1 ]" 3
18 1 21 PRO O 1 72 PHE H 0.000 . 3.300 3.726 3.572 3.831 0.531 2 3 "[ + -.* 1 ]" 3
19 1 21 PRO N 1 72 PHE O 0.000 . 3.300 3.330 3.259 3.394 0.094 11 0 "[ . 1 ]" 3
20 1 64 ILE O 1 77 LYS N 0.000 . 3.300 3.145 2.661 3.265 . 0 0 "[ . 1 ]" 3
21 1 64 ILE O 1 77 LYS H 0.000 . 2.300 2.517 1.988 2.653 0.353 11 0 "[ . 1 ]" 3
22 1 64 ILE N 1 77 LYS O 0.000 . 3.300 2.748 2.489 2.946 . 0 0 "[ . 1 ]" 3
23 1 64 ILE H 1 77 LYS O 0.000 . 2.300 2.615 2.360 2.720 0.420 3 0 "[ . 1 ]" 3
24 1 66 GLY O 1 75 SER N 0.000 . 3.300 2.836 2.672 3.106 . 0 0 "[ . 1 ]" 3
25 1 66 GLY O 1 75 SER H 0.000 . 2.300 1.894 1.721 2.347 0.047 3 0 "[ . 1 ]" 3
26 1 66 GLY N 1 75 SER O 0.000 . 3.300 2.566 2.464 2.848 . 0 0 "[ . 1 ]" 3
27 1 66 GLY H 1 75 SER O 0.000 . 2.300 1.630 1.532 1.888 . 0 0 "[ . 1 ]" 3
28 1 68 ASP O 1 73 ALA N 0.000 . 3.300 3.241 2.628 3.396 0.096 3 0 "[ . 1 ]" 3
29 1 68 ASP O 1 73 ALA H 0.000 . 2.300 2.407 1.845 2.496 0.196 9 0 "[ . 1 ]" 3
30 1 68 ASP N 1 73 ALA O 0.000 . 3.300 2.859 2.580 3.185 . 0 0 "[ . 1 ]" 3
31 1 68 ASP H 1 73 ALA O 0.000 . 2.300 1.986 1.651 2.375 0.075 6 0 "[ . 1 ]" 3
32 1 81 LEU O 1 84 SER N 0.000 . 3.300 2.909 2.464 3.216 . 0 0 "[ . 1 ]" 3
33 1 81 LEU O 1 84 SER H 0.000 . 2.300 2.245 1.766 2.601 0.301 5 0 "[ . 1 ]" 3
34 1 85 GLY O 1 105 LEU N 0.000 . 3.300 3.181 3.040 3.329 0.029 5 0 "[ . 1 ]" 3
35 1 85 GLY O 1 105 LEU H 0.000 . 2.300 2.232 2.138 2.397 0.097 5 0 "[ . 1 ]" 3
36 1 85 GLY N 1 105 LEU O 0.000 . 3.300 3.019 2.768 3.251 . 0 0 "[ . 1 ]" 3
37 1 85 GLY H 1 105 LEU O 0.000 . 2.300 2.418 2.244 2.570 0.270 7 0 "[ . 1 ]" 3
38 1 87 TYR O 1 103 PHE N 0.000 . 3.300 3.040 2.392 3.320 0.020 5 0 "[ . 1 ]" 3
39 1 87 TYR O 1 103 PHE H 0.000 . 2.300 2.143 1.645 2.342 0.042 5 0 "[ . 1 ]" 3
40 1 87 TYR N 1 103 PHE O 0.000 . 3.300 2.980 2.660 3.147 . 0 0 "[ . 1 ]" 3
41 1 87 TYR H 1 103 PHE O 0.000 . 2.300 2.065 1.751 2.231 . 0 0 "[ . 1 ]" 3
42 1 89 LEU O 1 101 LYS N 0.000 . 3.300 3.197 2.946 3.377 0.077 13 0 "[ . 1 ]" 3
43 1 89 LEU O 1 101 LYS H 0.000 . 2.300 2.273 1.982 2.450 0.150 2 0 "[ . 1 ]" 3
44 1 89 LEU N 1 101 LYS O 0.000 . 3.300 2.921 2.744 3.131 . 0 0 "[ . 1 ]" 3
45 1 89 LEU H 1 101 LYS O 0.000 . 2.300 1.995 1.768 2.363 0.063 12 0 "[ . 1 ]" 3
46 1 34 LYS O 1 88 LEU N 0.000 . 3.300 3.042 2.720 3.420 0.120 3 0 "[ . 1 ]" 3
47 1 34 LYS O 1 88 LEU H 0.000 . 2.300 2.236 1.889 2.473 0.173 3 0 "[ . 1 ]" 3
48 1 34 LYS N 1 88 LEU O 0.000 . 3.300 3.316 3.238 3.443 0.143 10 0 "[ . 1 ]" 3
49 1 34 LYS H 1 88 LEU O 0.000 . 2.300 2.497 2.341 2.613 0.313 12 0 "[ . 1 ]" 3
50 1 36 THR O 1 86 HIS N 0.000 . 3.300 3.231 3.084 3.342 0.042 12 0 "[ . 1 ]" 3
51 1 36 THR O 1 86 HIS H 0.000 . 2.300 2.394 2.250 2.480 0.180 3 0 "[ . 1 ]" 3
52 1 36 THR N 1 86 HIS O 0.000 . 3.300 3.213 3.037 3.334 0.034 10 0 "[ . 1 ]" 3
53 1 36 THR H 1 86 HIS O 0.000 . 2.300 2.309 2.141 2.400 0.100 12 0 "[ . 1 ]" 3
54 1 32 GLN O 1 90 GLU N 0.000 . 3.300 3.068 2.738 3.269 . 0 0 "[ . 1 ]" 3
55 1 32 GLN O 1 90 GLU H 0.000 . 2.300 2.196 1.905 2.360 0.060 9 0 "[ . 1 ]" 3
56 1 32 GLN N 1 90 GLU O 0.000 . 3.300 3.274 3.204 3.342 0.042 6 0 "[ . 1 ]" 3
57 1 32 GLN H 1 90 GLU O 0.000 . 2.300 2.378 2.268 2.434 0.134 12 0 "[ . 1 ]" 3
58 1 31 VAL O 1 49 TRP N 0.000 . 3.300 2.415 2.310 2.519 . 0 0 "[ . 1 ]" 3
59 1 31 VAL O 1 49 TRP H 0.000 . 2.300 1.505 1.381 1.727 . 0 0 "[ . 1 ]" 3
60 1 31 VAL N 1 49 TRP O 0.000 . 3.300 2.881 2.553 3.120 . 0 0 "[ . 1 ]" 3
61 1 31 VAL H 1 49 TRP O 0.000 . 2.300 2.115 1.705 2.272 . 0 0 "[ . 1 ]" 3
62 1 33 TRP N 1 47 LEU O 0.000 . 3.300 3.388 3.337 3.446 0.146 8 0 "[ . 1 ]" 3
63 1 33 TRP H 1 47 LEU O 0.000 . 2.300 2.499 2.441 2.552 0.252 11 0 "[ . 1 ]" 3
64 1 35 LYS O 1 44 ILE N 0.000 . 3.300 3.042 2.753 3.212 . 0 0 "[ . 1 ]" 3
65 1 35 LYS O 1 44 ILE H 0.000 . 2.300 2.145 1.964 2.279 . 0 0 "[ . 1 ]" 3
66 1 35 LYS N 1 44 ILE O 0.000 . 3.300 3.024 2.807 3.188 . 0 0 "[ . 1 ]" 3
67 1 35 LYS H 1 44 ILE O 0.000 . 2.300 2.066 1.859 2.221 . 0 0 "[ . 1 ]" 3
68 1 37 GLU O 1 42 ARG N 0.000 . 3.300 2.677 2.393 3.186 . 0 0 "[ . 1 ]" 3
69 1 37 GLU O 1 42 ARG H 0.000 . 2.300 2.479 1.875 2.707 0.407 13 0 "[ . 1 ]" 3
70 1 37 GLU N 1 42 ARG O 0.000 . 3.300 2.960 2.680 3.354 0.054 14 0 "[ . 1 ]" 3
71 1 37 GLU H 1 42 ARG O 0.000 . 2.300 2.207 1.887 2.581 0.281 6 0 "[ . 1 ]" 3
72 1 46 ILE O 1 57 SER N 0.000 . 3.300 2.680 2.288 3.029 . 0 0 "[ . 1 ]" 3
73 1 46 ILE O 1 57 SER H 0.000 . 2.300 2.071 1.490 2.350 0.050 1 0 "[ . 1 ]" 3
74 1 46 ILE N 1 57 SER O 0.000 . 3.300 3.511 3.313 3.744 0.444 2 0 "[ . 1 ]" 3
75 1 46 ILE H 1 57 SER O 0.000 . 2.300 2.705 2.542 2.932 0.632 10 3 "[ - . *+ ]" 3
76 1 48 ASN O 1 55 SER N 0.000 . 3.300 3.306 3.229 3.393 0.093 2 0 "[ . 1 ]" 3
77 1 48 ASN O 1 55 SER H 0.000 . 2.300 2.423 2.381 2.468 0.168 7 0 "[ . 1 ]" 3
78 1 48 ASN N 1 55 SER O 0.000 . 3.300 3.047 2.869 3.239 . 0 0 "[ . 1 ]" 3
79 1 48 ASN H 1 55 SER O 0.000 . 2.300 2.177 1.917 2.371 0.071 6 0 "[ . 1 ]" 3
80 1 50 TYR O 1 53 GLY N 0.000 . 3.300 3.053 2.868 3.370 0.070 5 0 "[ . 1 ]" 3
81 1 50 TYR O 1 53 GLY H 0.000 . 2.300 2.403 2.212 2.529 0.229 1 0 "[ . 1 ]" 3
82 1 50 TYR N 1 53 GLY O 0.000 . 3.300 3.233 3.052 3.362 0.062 5 0 "[ . 1 ]" 3
83 1 50 TYR H 1 53 GLY O 0.000 . 2.300 2.379 2.210 2.510 0.210 10 0 "[ . 1 ]" 3
84 1 35 LYS NZ 1 37 GLU OE2 0.000 . 3.300 3.624 2.319 5.556 2.256 12 4 "[ * - 1 +* ]" 3
stop_
save_
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