NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
452229 |
2sob   |
4010 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_2sob
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 708
_Distance_constraint_stats_list.Viol_count 579
_Distance_constraint_stats_list.Viol_total 681.576
_Distance_constraint_stats_list.Viol_max 3.628
_Distance_constraint_stats_list.Viol_rms 0.0759
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.1177
_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 THR 0.013 0.008 1 0 "[ . 1]"
1 3 SER 0.452 0.070 4 0 "[ . 1]"
1 4 THR 0.101 0.060 7 0 "[ . 1]"
1 6 LYS 1.183 0.300 3 0 "[ . 1]"
1 7 LEU 0.149 0.131 6 0 "[ . 1]"
1 8 HIS 0.035 0.035 1 0 "[ . 1]"
1 9 LYS 0.460 0.106 3 0 "[ . 1]"
1 10 GLU 2.173 0.391 6 0 "[ . 1]"
1 11 PRO 0.717 0.160 5 0 "[ . 1]"
1 12 ALA 1.541 0.207 10 0 "[ . 1]"
1 13 THR 1.682 0.241 10 0 "[ . 1]"
1 14 LEU 0.448 0.139 2 0 "[ . 1]"
1 15 ILE 2.108 0.241 10 0 "[ . 1]"
1 16 LYS 0.253 0.155 7 0 "[ . 1]"
1 17 ALA 1.454 0.166 2 0 "[ . 1]"
1 18 ILE 1.441 0.166 2 0 "[ . 1]"
1 19 ASP 0.651 0.152 5 0 "[ . 1]"
1 20 GLY 1.119 0.331 5 0 "[ . 1]"
1 21 ASP 0.477 0.331 5 0 "[ . 1]"
1 22 THR 2.309 0.443 9 0 "[ . 1]"
1 23 VAL 7.859 1.033 4 10 [***+****-*]
1 24 LYS 9.050 1.033 4 10 [***+****-*]
1 25 LEU 1.762 0.207 10 0 "[ . 1]"
1 26 MET 0.000 0.000 . 0 "[ . 1]"
1 27 TYR 0.754 0.289 10 0 "[ . 1]"
1 28 LYS 2.413 0.228 3 0 "[ . 1]"
1 29 GLY 0.679 0.289 10 0 "[ . 1]"
1 30 GLN 2.038 0.228 3 0 "[ . 1]"
1 31 PRO 0.000 0.000 . 0 "[ . 1]"
1 32 MET 0.704 0.130 3 0 "[ . 1]"
1 33 THR 0.396 0.125 8 0 "[ . 1]"
1 34 PHE 0.694 0.201 4 0 "[ . 1]"
1 35 ARG 11.300 3.628 8 5 "[- ** + *]"
1 36 LEU 0.000 0.000 . 0 "[ . 1]"
1 37 LEU 0.317 0.158 7 0 "[ . 1]"
1 38 LEU 0.072 0.072 9 0 "[ . 1]"
1 39 VAL 2.064 0.443 9 0 "[ . 1]"
1 40 ASP 0.825 0.219 1 0 "[ . 1]"
1 41 THR 0.324 0.142 10 0 "[ . 1]"
1 42 PRO 0.000 0.000 . 0 "[ . 1]"
1 43 GLU 0.502 0.130 10 0 "[ . 1]"
1 44 THR 0.502 0.130 10 0 "[ . 1]"
1 45 LYS 0.000 0.000 . 0 "[ . 1]"
1 46 HIS 0.000 0.000 . 0 "[ . 1]"
1 48 LYS 0.029 0.029 9 0 "[ . 1]"
1 49 LYS 0.029 0.029 9 0 "[ . 1]"
1 50 GLY 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 0.945 0.138 8 0 "[ . 1]"
1 52 GLU 0.691 0.138 8 0 "[ . 1]"
1 53 LYS 0.016 0.013 3 0 "[ . 1]"
1 54 TYR 0.001 0.001 10 0 "[ . 1]"
1 55 GLY 0.000 0.000 . 0 "[ . 1]"
1 56 PRO 0.000 0.000 . 0 "[ . 1]"
1 57 GLU 0.061 0.061 8 0 "[ . 1]"
1 58 ALA 0.000 0.000 . 0 "[ . 1]"
1 59 SER 0.214 0.061 8 0 "[ . 1]"
1 60 ALA 0.000 0.000 . 0 "[ . 1]"
1 61 PHE 0.246 0.082 5 0 "[ . 1]"
1 62 THR 0.212 0.114 5 0 "[ . 1]"
1 63 LYS 0.231 0.114 5 0 "[ . 1]"
1 64 LYS 1.273 0.256 5 0 "[ . 1]"
1 65 MET 0.000 0.000 . 0 "[ . 1]"
1 66 LEU 0.626 0.098 6 0 "[ . 1]"
1 67 GLU 2.726 0.279 8 0 "[ . 1]"
1 68 ASN 2.457 0.279 8 0 "[ . 1]"
1 69 ALA 1.277 0.201 5 0 "[ . 1]"
1 70 LYS 0.874 0.167 2 0 "[ . 1]"
1 71 LYS 1.146 0.201 5 0 "[ . 1]"
1 72 ILE 4.338 0.391 6 0 "[ . 1]"
1 73 GLU 2.143 0.257 10 0 "[ . 1]"
1 74 VAL 3.573 0.269 9 0 "[ . 1]"
1 75 GLU 0.618 0.106 3 0 "[ . 1]"
1 76 PHE 1.425 0.414 9 0 "[ . 1]"
1 77 ASP 1.589 0.414 9 0 "[ . 1]"
1 78 LYS 0.287 0.111 3 0 "[ . 1]"
1 79 GLY 0.805 0.207 4 0 "[ . 1]"
1 80 GLN 2.397 0.301 10 0 "[ . 1]"
1 81 ARG 0.000 0.000 . 0 "[ . 1]"
1 82 THR 3.015 0.395 3 0 "[ . 1]"
1 83 ASP 1.895 0.395 3 0 "[ . 1]"
1 84 LYS 0.501 0.079 4 0 "[ . 1]"
1 85 TYR 0.035 0.035 2 0 "[ . 1]"
1 86 GLY 1.176 0.295 5 0 "[ . 1]"
1 87 ARG 3.814 0.296 8 0 "[ . 1]"
1 88 VAL 2.793 0.296 8 0 "[ . 1]"
1 89 LEU 0.594 0.158 7 0 "[ . 1]"
1 90 ALA 10.987 3.628 8 5 "[- ** + *]"
1 91 TYR 0.403 0.115 8 0 "[ . 1]"
1 92 ILE 3.469 0.304 7 0 "[ . 1]"
1 93 TYR 0.722 0.124 7 0 "[ . 1]"
1 94 ALA 2.419 0.281 2 0 "[ . 1]"
1 95 ASP 2.519 0.281 2 0 "[ . 1]"
1 96 GLY 0.715 0.215 8 0 "[ . 1]"
1 97 LYS 0.603 0.215 8 0 "[ . 1]"
1 98 MET 0.451 0.170 7 0 "[ . 1]"
1 99 VAL 1.767 0.304 7 0 "[ . 1]"
1 100 ASN 0.000 0.000 . 0 "[ . 1]"
1 101 GLU 0.239 0.134 10 0 "[ . 1]"
1 102 ALA 0.025 0.019 8 0 "[ . 1]"
1 103 LEU 0.000 0.000 . 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 9 LYS H 1 75 GLU QB 1.800 . 6.000 5.118 4.665 5.418 . 0 0 "[ . 1]" 1
2 1 9 LYS H 1 75 GLU H 1.800 . 6.500 6.431 6.171 6.606 0.106 3 0 "[ . 1]" 1
3 1 12 ALA H 1 73 GLU HA 1.800 . 5.000 4.471 4.125 4.962 . 0 0 "[ . 1]" 1
4 1 13 THR H 1 26 MET QB 1.800 . 6.000 4.009 3.490 5.030 . 0 0 "[ . 1]" 1
5 1 14 LEU H 1 72 ILE QG 1.800 . 5.200 4.331 3.904 4.707 . 0 0 "[ . 1]" 1
6 1 15 ILE H 1 25 LEU HA 1.800 . 5.000 3.002 2.059 4.185 . 0 0 "[ . 1]" 1
7 1 17 ALA HA 1 23 VAL HB 1.800 . 4.200 3.651 2.694 4.228 0.028 5 0 "[ . 1]" 1
8 1 17 ALA HA 1 23 VAL QG 1.800 . 5.300 2.837 2.103 3.445 . 0 0 "[ . 1]" 1
9 1 17 ALA HA 1 24 LYS QB 1.800 . 6.000 4.178 2.830 5.330 . 0 0 "[ . 1]" 1
10 1 20 GLY H 1 55 GLY QA 1.800 . 5.200 4.405 3.986 4.677 . 0 0 "[ . 1]" 1
11 1 20 GLY H 1 60 ALA MB 1.800 . 8.000 6.212 3.871 6.670 . 0 0 "[ . 1]" 1
12 1 21 ASP H 1 36 LEU QD 1.800 . 8.900 5.343 2.737 6.557 . 0 0 "[ . 1]" 1
13 1 22 THR HA 1 38 LEU QB 1.800 . 7.500 6.375 4.969 6.902 . 0 0 "[ . 1]" 1
14 1 22 THR HA 1 39 VAL HB 1.800 . 5.000 5.144 5.032 5.443 0.443 9 0 "[ . 1]" 1
15 1 17 ALA HA 1 23 VAL HA 1.800 . 2.900 2.480 1.967 2.930 0.030 2 0 "[ . 1]" 1
16 1 17 ALA MB 1 23 VAL HA 1.800 . 5.700 3.573 2.795 4.105 . 0 0 "[ . 1]" 1
17 1 18 ILE MG 1 23 VAL HA 1.800 . 6.500 4.962 4.379 5.447 . 0 0 "[ . 1]" 1
18 1 15 ILE MD 1 24 LYS H 1.800 . 6.500 4.966 4.339 5.217 . 0 0 "[ . 1]" 1
19 1 15 ILE H 1 24 LYS H 1.800 . 5.000 4.973 4.534 5.161 0.161 2 0 "[ . 1]" 1
20 1 16 LYS QB 1 24 LYS H 1.800 . 5.200 4.551 4.320 4.736 . 0 0 "[ . 1]" 1
21 1 16 LYS H 1 24 LYS H 1.800 . 5.000 4.141 3.282 5.155 0.155 7 0 "[ . 1]" 1
22 1 18 ILE H 1 24 LYS H 1.800 . 5.000 3.341 2.275 4.381 . 0 0 "[ . 1]" 1
23 1 12 ALA MB 1 25 LEU HA 1.800 . 5.700 4.091 3.720 4.640 . 0 0 "[ . 1]" 1
24 1 14 LEU HA 1 25 LEU HA 1.800 . 4.200 3.773 2.795 4.278 0.078 10 0 "[ . 1]" 1
25 1 15 ILE MD 1 25 LEU HA 1.800 . 6.500 2.459 2.001 2.931 . 0 0 "[ . 1]" 1
26 1 25 LEU HA 1 72 ILE MD 1.800 . 5.700 4.616 4.295 4.880 . 0 0 "[ . 1]" 1
27 1 13 THR H 1 26 MET H 1.800 . 5.000 2.762 2.233 3.483 . 0 0 "[ . 1]" 1
28 1 14 LEU HA 1 26 MET H 1.800 . 6.500 4.895 3.884 5.560 . 0 0 "[ . 1]" 1
29 1 15 ILE H 1 26 MET H 1.800 . 6.500 4.503 3.648 5.290 . 0 0 "[ . 1]" 1
30 1 12 ALA MB 1 27 TYR QD 1.800 . 7.700 4.316 3.496 4.760 . 0 0 "[ . 1]" 1
31 1 27 TYR QD 1 32 MET QB 1.800 . 8.000 4.427 2.738 5.520 . 0 0 "[ . 1]" 1
32 1 27 TYR QD 1 72 ILE MG 1.800 . 8.500 6.071 5.444 6.419 . 0 0 "[ . 1]" 1
33 1 27 TYR QE 1 32 MET QB 1.800 . 8.000 3.738 2.468 4.702 . 0 0 "[ . 1]" 1
34 1 27 TYR H 1 32 MET QG 1.800 . 6.000 4.868 3.580 5.399 . 0 0 "[ . 1]" 1
35 1 25 LEU HA 1 32 MET H 1.800 . 5.000 4.851 4.492 5.107 0.107 10 0 "[ . 1]" 1
36 1 25 LEU H 1 32 MET H 1.800 . 5.000 3.162 2.415 4.666 . 0 0 "[ . 1]" 1
37 1 24 LYS HA 1 33 THR HA 1.800 . 2.900 2.480 1.710 2.948 0.090 10 0 "[ . 1]" 1
38 1 24 LYS QG 1 33 THR HB 1.800 . 6.000 4.625 2.900 5.275 . 0 0 "[ . 1]" 1
39 1 18 ILE MD 1 33 THR H 1.800 . 6.500 5.396 5.126 5.528 . 0 0 "[ . 1]" 1
40 1 34 PHE HA 1 88 VAL MG2 1.800 . 6.500 4.112 3.062 5.347 . 0 0 "[ . 1]" 1
41 1 23 VAL HA 1 34 PHE QD 1.800 . 7.000 5.948 5.189 6.522 . 0 0 "[ . 1]" 1
42 1 23 VAL HB 1 34 PHE QD 1.800 . 7.000 4.952 3.706 6.193 . 0 0 "[ . 1]" 1
43 1 24 LYS HA 1 34 PHE QD 1.800 . 7.000 4.017 3.389 5.061 . 0 0 "[ . 1]" 1
44 1 25 LEU QB 1 34 PHE QD 1.800 . 8.000 3.618 1.599 5.194 0.201 4 0 "[ . 1]" 1
45 1 27 TYR QD 1 34 PHE QD 1.800 . 9.000 5.056 4.504 5.766 . 0 0 "[ . 1]" 1
46 1 34 PHE QD 1 76 PHE HA 1.800 . 8.500 6.338 5.110 7.464 . 0 0 "[ . 1]" 1
47 1 34 PHE QD 1 76 PHE QB 1.800 . 8.000 4.476 3.759 5.466 . 0 0 "[ . 1]" 1
48 1 34 PHE QD 1 76 PHE QD 1.800 . 8.200 5.095 4.187 6.491 . 0 0 "[ . 1]" 1
49 1 34 PHE QD 1 87 ARG QB 1.800 . 8.200 5.617 3.612 6.758 . 0 0 "[ . 1]" 1
50 1 34 PHE QD 1 88 VAL HB 1.800 . 6.200 2.764 2.222 3.327 . 0 0 "[ . 1]" 1
51 1 34 PHE QD 1 92 ILE MD 1.800 . 7.700 2.498 1.862 3.023 . 0 0 "[ . 1]" 1
52 1 23 VAL HB 1 34 PHE QE 1.800 . 8.500 6.181 5.358 7.389 . 0 0 "[ . 1]" 1
53 1 25 LEU QB 1 34 PHE QE 1.800 . 8.000 2.922 1.721 5.596 0.079 2 0 "[ . 1]" 1
54 1 27 TYR QB 1 34 PHE QE 1.800 . 8.000 3.914 2.239 5.547 . 0 0 "[ . 1]" 1
55 1 34 PHE QE 1 76 PHE QD 1.800 . 8.200 4.079 2.132 5.697 . 0 0 "[ . 1]" 1
56 1 34 PHE QE 1 76 PHE QE 1.800 . 9.000 4.689 2.702 6.084 . 0 0 "[ . 1]" 1
57 1 23 VAL H 1 34 PHE H 1.800 . 4.200 2.870 2.059 3.506 . 0 0 "[ . 1]" 1
58 1 24 LYS HA 1 34 PHE H 1.800 . 4.200 3.654 3.080 4.286 0.086 9 0 "[ . 1]" 1
59 1 34 PHE H 1 66 LEU QD 1.800 . 6.600 4.900 4.688 5.044 . 0 0 "[ . 1]" 1
60 1 27 TYR QD 1 34 PHE HZ 1.800 . 7.000 2.569 1.740 3.350 0.060 7 0 "[ . 1]" 1
61 1 34 PHE HZ 1 76 PHE QD 1.800 . 7.000 5.159 2.494 6.453 . 0 0 "[ . 1]" 1
62 1 34 PHE HZ 1 76 PHE QE 1.800 . 7.000 5.106 2.866 6.454 . 0 0 "[ . 1]" 1
63 1 35 ARG HA 1 89 LEU QD 1.800 . 6.600 4.365 4.112 4.977 . 0 0 "[ . 1]" 1
64 1 35 ARG HE 1 89 LEU QD 1.800 . 8.900 4.760 2.648 6.520 . 0 0 "[ . 1]" 1
65 1 23 VAL QG 1 35 ARG H 1.800 . 7.400 4.390 3.350 5.106 . 0 0 "[ . 1]" 1
66 1 35 ARG H 1 88 VAL HB 1.800 . 5.000 4.562 3.630 5.040 0.040 10 0 "[ . 1]" 1
67 1 35 ARG H 1 88 VAL H 1.800 . 5.000 4.666 3.533 5.110 0.110 6 0 "[ . 1]" 1
68 1 21 ASP QB 1 36 LEU H 1.800 . 6.000 4.339 1.860 5.187 . 0 0 "[ . 1]" 1
69 1 37 LEU H 1 89 LEU HA 1.800 . 6.500 5.577 3.359 6.658 0.158 7 0 "[ . 1]" 1
70 1 37 LEU H 1 91 TYR QD 1.800 . 8.500 5.807 4.740 6.703 . 0 0 "[ . 1]" 1
71 1 39 VAL H 1 91 TYR QE 1.800 . 7.000 6.218 5.434 6.717 . 0 0 "[ . 1]" 1
72 1 56 PRO QD 1 61 PHE QD 1.800 . 9.500 7.096 6.527 7.544 . 0 0 "[ . 1]" 1
73 1 14 LEU QB 1 69 ALA H 1.800 . 5.200 4.325 3.430 4.695 . 0 0 "[ . 1]" 1
74 1 70 LYS H 1 95 ASP H 1.800 . 5.000 5.087 5.033 5.167 0.167 2 0 "[ . 1]" 1
75 1 71 LYS H 1 95 ASP QB 1.800 . 6.000 4.631 3.845 5.275 . 0 0 "[ . 1]" 1
76 1 11 PRO QG 1 72 ILE HA 1.800 . 7.500 6.676 6.640 6.704 . 0 0 "[ . 1]" 1
77 1 72 ILE HA 1 94 ALA MB 1.800 . 6.500 2.435 1.585 3.460 0.215 6 0 "[ . 1]" 1
78 1 12 ALA MB 1 72 ILE MG 1.800 . 8.000 2.134 1.779 2.448 0.021 10 0 "[ . 1]" 1
79 1 66 LEU HA 1 72 ILE MG 1.800 . 6.500 4.711 3.838 5.306 . 0 0 "[ . 1]" 1
80 1 72 ILE MG 1 94 ALA HA 1.800 . 6.500 3.650 2.923 4.348 . 0 0 "[ . 1]" 1
81 1 10 GLU H 1 72 ILE H 1.800 . 6.500 6.717 6.573 6.891 0.391 6 0 "[ . 1]" 1
82 1 11 PRO QB 1 72 ILE H 1.800 . 6.000 3.168 2.976 3.500 . 0 0 "[ . 1]" 1
83 1 12 ALA H 1 72 ILE H 1.800 . 5.000 2.383 1.976 3.158 . 0 0 "[ . 1]" 1
84 1 10 GLU QB 1 73 GLU HA 1.800 . 6.000 4.289 4.148 4.673 . 0 0 "[ . 1]" 1
85 1 11 PRO HA 1 73 GLU HA 1.800 . 2.900 2.934 2.560 3.060 0.160 5 0 "[ . 1]" 1
86 1 11 PRO QB 1 73 GLU H 1.800 . 7.500 5.571 5.102 5.901 . 0 0 "[ . 1]" 1
87 1 73 GLU H 1 93 TYR QB 1.800 . 5.200 3.490 2.337 4.412 . 0 0 "[ . 1]" 1
88 1 74 VAL HA 1 92 ILE MG 1.800 . 6.500 3.330 2.937 3.856 . 0 0 "[ . 1]" 1
89 1 10 GLU QB 1 74 VAL H 1.800 . 5.200 3.948 3.479 4.503 . 0 0 "[ . 1]" 1
90 1 10 GLU H 1 74 VAL H 1.800 . 4.200 2.715 2.401 2.975 . 0 0 "[ . 1]" 1
91 1 11 PRO QB 1 74 VAL H 1.800 . 6.000 5.446 5.304 5.525 . 0 0 "[ . 1]" 1
92 1 12 ALA MB 1 74 VAL H 1.800 . 5.700 3.197 3.050 3.370 . 0 0 "[ . 1]" 1
93 1 12 ALA H 1 74 VAL H 1.800 . 6.500 4.141 3.819 4.552 . 0 0 "[ . 1]" 1
94 1 74 VAL H 1 92 ILE MD 1.800 . 5.700 4.548 4.187 4.674 . 0 0 "[ . 1]" 1
95 1 9 LYS HA 1 75 GLU HA 1.800 . 4.200 2.695 2.052 3.314 . 0 0 "[ . 1]" 1
96 1 10 GLU H 1 75 GLU H 1.800 . 5.000 4.821 4.515 4.971 . 0 0 "[ . 1]" 1
97 1 75 GLU H 1 90 ALA MB 1.800 . 6.500 4.157 3.493 4.878 . 0 0 "[ . 1]" 1
98 1 75 GLU H 1 91 TYR QB 1.800 . 6.000 3.724 3.115 4.346 . 0 0 "[ . 1]" 1
99 1 75 GLU H 1 91 TYR QD 1.800 . 7.000 5.616 4.917 6.200 . 0 0 "[ . 1]" 1
100 1 75 GLU H 1 92 ILE HA 1.800 . 5.000 3.362 3.037 3.814 . 0 0 "[ . 1]" 1
101 1 75 GLU H 1 92 ILE MD 1.800 . 5.700 3.962 3.423 4.296 . 0 0 "[ . 1]" 1
102 1 75 GLU H 1 93 TYR QD 1.800 . 7.000 3.746 2.055 5.088 . 0 0 "[ . 1]" 1
103 1 8 HIS HA 1 76 PHE QD 1.800 . 8.500 6.918 6.379 7.271 . 0 0 "[ . 1]" 1
104 1 27 TYR QD 1 76 PHE QD 1.800 . 9.500 4.571 3.669 5.786 . 0 0 "[ . 1]" 1
105 1 76 PHE QD 1 81 ARG QB 1.800 . 9.500 6.189 5.032 6.838 . 0 0 "[ . 1]" 1
106 1 76 PHE QD 1 88 VAL HB 1.800 . 7.000 5.954 4.877 6.680 . 0 0 "[ . 1]" 1
107 1 27 TYR QB 1 76 PHE QE 1.800 . 8.000 3.134 2.206 4.757 . 0 0 "[ . 1]" 1
108 1 76 PHE QE 1 81 ARG QB 1.800 . 9.500 6.838 6.416 7.670 . 0 0 "[ . 1]" 1
109 1 76 PHE H 1 91 TYR QB 1.800 . 7.500 5.973 4.948 6.627 . 0 0 "[ . 1]" 1
110 1 6 LYS H 1 77 ASP H 1.800 . 5.000 4.868 4.207 5.300 0.300 3 0 "[ . 1]" 1
111 1 6 LYS QD 1 78 LYS H 1.800 . 5.200 4.160 2.070 4.883 . 0 0 "[ . 1]" 1
112 1 6 LYS H 1 78 LYS H 1.800 . 4.200 3.710 2.895 4.311 0.111 3 0 "[ . 1]" 1
113 1 82 THR H 1 89 LEU QD 1.800 . 6.600 4.332 3.108 4.979 . 0 0 "[ . 1]" 1
114 1 84 LYS H 1 89 LEU QD 1.800 . 7.400 4.745 2.998 5.596 . 0 0 "[ . 1]" 1
115 1 21 ASP QB 1 87 ARG HE 1.800 . 7.500 6.755 6.471 6.931 . 0 0 "[ . 1]" 1
116 1 34 PHE HA 1 88 VAL H 1.800 . 5.000 3.598 2.643 4.376 . 0 0 "[ . 1]" 1
117 1 83 ASP QB 1 89 LEU H 1.800 . 7.500 5.415 2.773 6.749 . 0 0 "[ . 1]" 1
118 1 76 PHE HA 1 90 ALA HA 1.800 . 4.200 3.434 2.210 4.135 . 0 0 "[ . 1]" 1
119 1 76 PHE QB 1 90 ALA HA 1.800 . 6.000 3.426 1.672 5.083 0.128 7 0 "[ . 1]" 1
120 1 35 ARG HE 1 90 ALA H 1.800 . 6.500 6.750 3.243 10.128 3.628 8 5 "[- ** + *]" 1
121 1 35 ARG H 1 90 ALA H 1.800 . 5.000 3.209 1.853 4.693 . 0 0 "[ . 1]" 1
122 1 89 LEU QD 1 90 ALA H 1.800 . 7.400 3.766 3.247 4.450 . 0 0 "[ . 1]" 1
123 1 37 LEU QB 1 91 TYR QD 1.800 . 8.400 5.529 4.161 6.709 . 0 0 "[ . 1]" 1
124 1 37 LEU QD 1 91 TYR QE 1.800 . 9.400 3.642 2.096 5.834 . 0 0 "[ . 1]" 1
125 1 75 GLU QB 1 91 TYR H 1.800 . 6.000 3.731 2.604 4.618 . 0 0 "[ . 1]" 1
126 1 75 GLU H 1 91 TYR H 1.800 . 5.000 3.782 3.209 4.318 . 0 0 "[ . 1]" 1
127 1 74 VAL HA 1 92 ILE HA 1.800 . 2.900 2.389 2.072 2.595 . 0 0 "[ . 1]" 1
128 1 74 VAL HB 1 92 ILE HA 1.800 . 5.000 4.999 4.599 5.222 0.222 9 0 "[ . 1]" 1
129 1 75 GLU QB 1 92 ILE HA 1.800 . 6.000 4.961 4.358 5.464 . 0 0 "[ . 1]" 1
130 1 72 ILE QG 1 92 ILE MG 1.800 . 7.500 2.895 2.133 3.543 . 0 0 "[ . 1]" 1
131 1 74 VAL HB 1 92 ILE MG 1.800 . 6.500 5.032 4.553 5.295 . 0 0 "[ . 1]" 1
132 1 75 GLU H 1 92 ILE H 1.800 . 5.000 4.894 4.477 5.092 0.092 5 0 "[ . 1]" 1
133 1 92 ILE H 1 99 VAL HB 1.800 . 4.200 4.296 4.220 4.504 0.304 7 0 "[ . 1]" 1
134 1 9 LYS QB 1 93 TYR QD 1.800 . 7.200 4.582 3.739 5.405 . 0 0 "[ . 1]" 1
135 1 75 GLU HA 1 93 TYR QD 1.800 . 7.000 5.269 4.612 6.155 . 0 0 "[ . 1]" 1
136 1 75 GLU QB 1 93 TYR QD 1.800 . 7.200 3.181 2.463 3.991 . 0 0 "[ . 1]" 1
137 1 93 TYR QD 1 98 MET QG 1.800 . 5.900 3.478 1.793 4.413 0.007 4 0 "[ . 1]" 1
138 1 93 TYR QD 1 99 VAL HB 1.800 . 6.200 3.454 1.743 5.842 0.057 10 0 "[ . 1]" 1
139 1 9 LYS QB 1 93 TYR QE 1.800 . 8.000 5.500 4.464 6.476 . 0 0 "[ . 1]" 1
140 1 75 GLU HA 1 93 TYR QE 1.800 . 7.000 4.979 4.359 5.953 . 0 0 "[ . 1]" 1
141 1 75 GLU QB 1 93 TYR QE 1.800 . 8.000 2.385 1.751 3.507 0.049 5 0 "[ . 1]" 1
142 1 93 TYR QE 1 98 MET QG 1.800 . 7.200 3.941 2.071 5.470 . 0 0 "[ . 1]" 1
143 1 93 TYR QE 1 99 VAL HB 1.800 . 6.200 3.140 1.676 5.828 0.124 7 0 "[ . 1]" 1
144 1 72 ILE QG 1 93 TYR H 1.800 . 6.000 5.031 4.287 5.318 . 0 0 "[ . 1]" 1
145 1 73 GLU H 1 93 TYR H 1.800 . 5.000 3.351 2.533 3.988 . 0 0 "[ . 1]" 1
146 1 75 GLU QB 1 93 TYR H 1.800 . 6.000 4.707 4.193 5.267 . 0 0 "[ . 1]" 1
147 1 72 ILE HA 1 94 ALA HA 1.800 . 2.900 2.171 1.732 2.614 0.068 2 0 "[ . 1]" 1
148 1 72 ILE HB 1 94 ALA HA 1.800 . 5.500 5.028 4.264 5.542 0.042 9 0 "[ . 1]" 1
149 1 72 ILE MD 1 94 ALA HA 1.800 . 6.500 4.863 4.037 5.362 . 0 0 "[ . 1]" 1
150 1 65 MET QG 1 94 ALA H 1.800 . 6.000 4.344 3.057 5.285 . 0 0 "[ . 1]" 1
151 1 71 LYS QB 1 94 ALA H 1.800 . 7.500 6.605 6.319 6.789 . 0 0 "[ . 1]" 1
152 1 72 ILE MD 1 94 ALA H 1.800 . 6.500 5.430 5.353 5.515 . 0 0 "[ . 1]" 1
153 1 72 ILE QG 1 94 ALA H 1.800 . 5.200 4.112 3.850 4.409 . 0 0 "[ . 1]" 1
154 1 73 GLU H 1 94 ALA H 1.800 . 5.000 4.497 4.210 4.927 . 0 0 "[ . 1]" 1
155 1 69 ALA MB 1 95 ASP QB 1.800 . 5.400 2.849 1.668 3.921 0.132 10 0 "[ . 1]" 1
156 1 71 LYS QB 1 95 ASP QB 1.800 . 7.000 4.572 2.733 5.431 . 0 0 "[ . 1]" 1
157 1 69 ALA MB 1 95 ASP H 1.800 . 5.700 3.539 3.031 4.475 . 0 0 "[ . 1]" 1
158 1 71 LYS QB 1 95 ASP H 1.800 . 5.200 3.616 2.943 4.462 . 0 0 "[ . 1]" 1
159 1 71 LYS H 1 95 ASP H 1.800 . 5.000 4.546 4.265 4.977 . 0 0 "[ . 1]" 1
160 1 69 ALA MB 1 97 LYS H 1.800 . 6.500 5.345 4.928 5.593 . 0 0 "[ . 1]" 1
161 1 2 THR HA 1 3 SER H 1.800 . 4.200 2.752 2.190 3.598 . 0 0 "[ . 1]" 1
162 1 2 THR H 1 4 THR H 1.800 . 5.000 4.532 3.453 5.008 0.008 1 0 "[ . 1]" 1
163 1 3 SER HA 1 4 THR H 1.800 . 2.900 2.663 2.253 2.960 0.060 7 0 "[ . 1]" 1
164 1 3 SER H 1 4 THR H 1.800 . 5.000 3.155 2.169 4.229 . 0 0 "[ . 1]" 1
165 1 6 LYS HA 1 7 LEU H 1.800 . 5.000 3.552 3.459 3.617 . 0 0 "[ . 1]" 1
166 1 6 LYS QB 1 7 LEU H 1.800 . 3.900 2.866 1.826 3.650 . 0 0 "[ . 1]" 1
167 1 6 LYS QD 1 7 LEU H 1.800 . 6.000 3.280 1.835 4.910 . 0 0 "[ . 1]" 1
168 1 6 LYS QG 1 7 LEU H 1.800 . 3.900 2.660 1.669 3.608 0.131 6 0 "[ . 1]" 1
169 1 6 LYS H 1 7 LEU H 1.800 . 2.900 2.253 1.849 2.918 0.018 2 0 "[ . 1]" 1
170 1 7 LEU HA 1 8 HIS H 1.800 . 2.900 2.372 2.173 2.694 . 0 0 "[ . 1]" 1
171 1 7 LEU QB 1 8 HIS H 1.800 . 5.200 3.674 2.732 3.995 . 0 0 "[ . 1]" 1
172 1 8 HIS H 1 9 LYS QG 1.800 . 6.000 5.333 5.081 5.501 . 0 0 "[ . 1]" 1
173 1 8 HIS HA 1 9 LYS H 1.800 . 5.000 2.660 2.118 3.318 . 0 0 "[ . 1]" 1
174 1 8 HIS QB 1 9 LYS H 1.800 . 3.900 2.690 1.765 3.668 0.035 1 0 "[ . 1]" 1
175 1 9 LYS HA 1 10 GLU H 1.800 . 2.900 2.261 2.204 2.417 . 0 0 "[ . 1]" 1
176 1 11 PRO HA 1 12 ALA H 1.800 . 2.900 2.194 2.103 2.331 . 0 0 "[ . 1]" 1
177 1 11 PRO QG 1 12 ALA H 1.800 . 5.200 4.772 4.655 4.858 . 0 0 "[ . 1]" 1
178 1 12 ALA HA 1 13 THR H 1.800 . 2.900 2.919 2.830 3.000 0.100 10 0 "[ . 1]" 1
179 1 13 THR H 1 15 ILE QG 1.800 . 5.200 4.308 4.115 4.531 . 0 0 "[ . 1]" 1
180 1 13 THR H 1 15 ILE H 1.800 . 5.200 5.336 5.242 5.441 0.241 10 0 "[ . 1]" 1
181 1 13 THR HA 1 14 LEU H 1.800 . 2.900 2.193 2.169 2.225 . 0 0 "[ . 1]" 1
182 1 14 LEU H 1 15 ILE H 1.800 . 5.000 4.498 4.462 4.564 . 0 0 "[ . 1]" 1
183 1 14 LEU QB 1 15 ILE HA 1.800 . 5.200 4.617 4.478 4.802 . 0 0 "[ . 1]" 1
184 1 14 LEU QD 1 15 ILE HA 1.800 . 5.300 3.321 3.014 3.586 . 0 0 "[ . 1]" 1
185 1 14 LEU HA 1 15 ILE H 1.800 . 2.900 2.180 2.129 2.224 . 0 0 "[ . 1]" 1
186 1 15 ILE HA 1 16 LYS H 1.800 . 4.200 3.361 2.769 3.597 . 0 0 "[ . 1]" 1
187 1 15 ILE QG 1 16 LYS H 1.800 . 5.200 3.770 2.105 4.283 . 0 0 "[ . 1]" 1
188 1 16 LYS QB 1 17 ALA HA 1.800 . 7.500 4.497 4.028 4.697 . 0 0 "[ . 1]" 1
189 1 17 ALA HA 1 18 ILE HB 1.800 . 4.200 4.338 4.285 4.366 0.166 2 0 "[ . 1]" 1
190 1 14 LEU QD 1 17 ALA H 1.800 . 7.400 4.527 3.184 5.205 . 0 0 "[ . 1]" 1
191 1 16 LYS HA 1 17 ALA H 1.800 . 2.900 2.270 2.188 2.512 . 0 0 "[ . 1]" 1
192 1 16 LYS QB 1 17 ALA H 1.800 . 5.200 3.446 2.164 3.981 . 0 0 "[ . 1]" 1
193 1 16 LYS QG 1 17 ALA H 1.800 . 6.000 3.381 2.396 4.606 . 0 0 "[ . 1]" 1
194 1 16 LYS H 1 17 ALA H 1.800 . 5.000 3.956 3.328 4.480 . 0 0 "[ . 1]" 1
195 1 17 ALA HA 1 18 ILE H 1.800 . 4.200 2.220 2.131 2.716 . 0 0 "[ . 1]" 1
196 1 17 ALA MB 1 18 ILE H 1.800 . 4.400 3.139 2.065 3.486 . 0 0 "[ . 1]" 1
197 1 17 ALA H 1 18 ILE H 1.800 . 5.000 4.378 4.015 4.665 . 0 0 "[ . 1]" 1
198 1 18 ILE H 1 19 ASP QB 1.800 . 7.500 5.108 4.641 5.465 . 0 0 "[ . 1]" 1
199 1 18 ILE H 1 19 ASP H 1.800 . 4.200 2.780 2.309 2.999 . 0 0 "[ . 1]" 1
200 1 18 ILE MG 1 19 ASP HA 1.800 . 5.700 3.995 3.731 4.553 . 0 0 "[ . 1]" 1
201 1 18 ILE HA 1 19 ASP H 1.800 . 4.200 3.582 3.521 3.605 . 0 0 "[ . 1]" 1
202 1 18 ILE HB 1 19 ASP H 1.800 . 2.900 2.437 2.189 2.908 0.008 3 0 "[ . 1]" 1
203 1 19 ASP H 1 20 GLY H 1.800 . 4.200 4.223 3.866 4.352 0.152 5 0 "[ . 1]" 1
204 1 19 ASP HA 1 20 GLY H 1.800 . 5.000 2.692 2.172 3.000 . 0 0 "[ . 1]" 1
205 1 19 ASP QB 1 20 GLY H 1.800 . 3.900 2.467 1.755 3.585 0.045 1 0 "[ . 1]" 1
206 1 21 ASP HA 1 23 VAL QG 1.800 . 7.400 4.249 3.196 5.389 . 0 0 "[ . 1]" 1
207 1 20 GLY QA 1 21 ASP H 1.800 . 3.900 2.351 2.107 2.737 . 0 0 "[ . 1]" 1
208 1 20 GLY H 1 21 ASP H 1.800 . 4.200 3.688 3.211 4.531 0.331 5 0 "[ . 1]" 1
209 1 21 ASP QB 1 22 THR HA 1.800 . 6.000 4.056 3.780 4.428 . 0 0 "[ . 1]" 1
210 1 18 ILE HB 1 22 THR H 1.800 . 5.000 4.322 3.257 5.050 0.050 6 0 "[ . 1]" 1
211 1 20 GLY H 1 22 THR H 1.800 . 6.500 4.306 3.500 5.290 . 0 0 "[ . 1]" 1
212 1 21 ASP QB 1 22 THR H 1.800 . 6.000 2.946 2.257 3.918 . 0 0 "[ . 1]" 1
213 1 21 ASP H 1 22 THR H 1.800 . 2.900 2.452 2.037 2.901 0.001 5 0 "[ . 1]" 1
214 1 22 THR H 1 23 VAL QG 1.800 . 7.400 3.881 3.492 4.593 . 0 0 "[ . 1]" 1
215 1 22 THR HA 1 23 VAL H 1.800 . 2.900 2.321 2.191 2.582 . 0 0 "[ . 1]" 1
216 1 22 THR MG 1 23 VAL H 1.800 . 4.400 2.855 1.833 3.725 . 0 0 "[ . 1]" 1
217 1 23 VAL HB 1 24 LYS HA 1.800 . 5.000 4.706 4.435 4.851 . 0 0 "[ . 1]" 1
218 1 23 VAL QG 1 24 LYS H 4.200 4.200 7.700 3.421 3.167 3.671 1.033 4 10 [***+****-*] 1
219 1 24 LYS QG 1 25 LEU HA 1.800 . 5.200 4.283 3.838 4.549 . 0 0 "[ . 1]" 1
220 1 24 LYS HA 1 25 LEU H 1.800 . 4.200 2.240 2.160 2.652 . 0 0 "[ . 1]" 1
221 1 25 LEU HA 1 26 MET H 1.800 . 4.200 2.265 2.183 2.423 . 0 0 "[ . 1]" 1
222 1 25 LEU HG 1 26 MET H 1.800 . 5.000 3.952 1.849 4.935 . 0 0 "[ . 1]" 1
223 1 25 LEU QB 1 27 TYR QD 1.800 . 8.000 4.917 3.492 6.122 . 0 0 "[ . 1]" 1
224 1 26 MET QB 1 27 TYR QD 1.800 . 8.000 5.225 4.561 5.522 . 0 0 "[ . 1]" 1
225 1 26 MET QG 1 27 TYR QD 1.800 . 8.000 5.190 3.913 5.929 . 0 0 "[ . 1]" 1
226 1 27 TYR QD 1 29 GLY QA 1.800 . 8.000 5.113 3.088 6.166 . 0 0 "[ . 1]" 1
227 1 27 TYR QE 1 29 GLY QA 1.800 . 8.000 5.513 2.899 6.714 . 0 0 "[ . 1]" 1
228 1 26 MET HA 1 27 TYR H 1.800 . 2.900 2.280 2.196 2.504 . 0 0 "[ . 1]" 1
229 1 26 MET QG 1 27 TYR H 1.800 . 6.000 3.881 2.846 4.581 . 0 0 "[ . 1]" 1
230 1 26 MET H 1 27 TYR H 1.800 . 5.000 4.175 3.517 4.602 . 0 0 "[ . 1]" 1
231 1 27 TYR H 1 29 GLY H 1.800 . 5.000 3.991 3.744 4.207 . 0 0 "[ . 1]" 1
232 1 27 TYR H 1 30 GLN H 1.800 . 4.200 3.680 3.188 4.242 0.042 4 0 "[ . 1]" 1
233 1 27 TYR HA 1 28 LYS H 1.800 . 4.200 3.313 2.684 3.582 . 0 0 "[ . 1]" 1
234 1 27 TYR QB 1 28 LYS H 1.800 . 6.000 3.541 2.398 4.065 . 0 0 "[ . 1]" 1
235 1 27 TYR QD 1 28 LYS H 1.800 . 6.200 3.163 2.128 4.676 . 0 0 "[ . 1]" 1
236 1 28 LYS H 1 29 GLY QA 1.800 . 6.000 4.414 3.813 4.761 . 0 0 "[ . 1]" 1
237 1 28 LYS H 1 32 MET H 1.800 . 6.500 6.409 5.754 6.630 0.130 3 0 "[ . 1]" 1
238 1 27 TYR HA 1 29 GLY H 1.800 . 5.000 4.544 3.899 5.289 0.289 10 0 "[ . 1]" 1
239 1 28 LYS HA 1 29 GLY H 1.800 . 2.900 2.749 2.508 2.942 0.042 7 0 "[ . 1]" 1
240 1 28 LYS H 1 29 GLY H 1.800 . 4.200 2.724 2.224 2.967 . 0 0 "[ . 1]" 1
241 1 29 GLY H 1 30 GLN QB 1.800 . 6.000 4.897 4.343 5.354 . 0 0 "[ . 1]" 1
242 1 28 LYS HA 1 30 GLN H 1.800 . 4.200 4.346 4.294 4.428 0.228 3 0 "[ . 1]" 1
243 1 29 GLY QA 1 30 GLN H 1.800 . 5.200 2.895 2.764 2.970 . 0 0 "[ . 1]" 1
244 1 29 GLY H 1 30 GLN H 1.800 . 2.900 2.345 1.823 2.690 . 0 0 "[ . 1]" 1
245 1 32 MET HA 1 34 PHE QD 1.800 . 7.000 5.561 4.502 6.670 . 0 0 "[ . 1]" 1
246 1 31 PRO HA 1 32 MET H 1.800 . 2.900 2.243 2.208 2.310 . 0 0 "[ . 1]" 1
247 1 31 PRO QB 1 32 MET H 1.800 . 5.200 3.577 3.377 3.778 . 0 0 "[ . 1]" 1
248 1 31 PRO QD 1 32 MET H 1.800 . 6.500 4.890 4.727 4.989 . 0 0 "[ . 1]" 1
249 1 31 PRO QG 1 32 MET H 1.800 . 6.000 5.045 4.970 5.085 . 0 0 "[ . 1]" 1
250 1 33 THR H 1 34 PHE QB 1.800 . 6.000 5.393 4.914 5.587 . 0 0 "[ . 1]" 1
251 1 31 PRO HA 1 34 PHE QE 1.800 . 8.500 5.325 4.554 6.538 . 0 0 "[ . 1]" 1
252 1 35 ARG HE 1 38 LEU QB 1.800 . 6.000 3.435 1.811 5.426 . 0 0 "[ . 1]" 1
253 1 34 PHE HA 1 35 ARG H 1.800 . 2.900 2.437 2.168 2.966 0.066 9 0 "[ . 1]" 1
254 1 34 PHE QB 1 35 ARG H 1.800 . 6.000 2.853 1.945 3.857 . 0 0 "[ . 1]" 1
255 1 34 PHE QD 1 35 ARG H 1.800 . 7.000 4.044 2.790 4.942 . 0 0 "[ . 1]" 1
256 1 34 PHE QE 1 35 ARG H 1.800 . 7.500 6.036 5.084 6.783 . 0 0 "[ . 1]" 1
257 1 34 PHE H 1 35 ARG H 1.800 . 6.500 4.348 2.982 4.707 . 0 0 "[ . 1]" 1
258 1 35 ARG H 1 38 LEU QB 1.800 . 6.000 5.278 4.553 5.641 . 0 0 "[ . 1]" 1
259 1 35 ARG HA 1 36 LEU H 1.800 . 4.200 2.542 2.109 3.573 . 0 0 "[ . 1]" 1
260 1 35 ARG QB 1 36 LEU H 1.800 . 3.900 3.034 2.000 3.723 . 0 0 "[ . 1]" 1
261 1 35 ARG H 1 36 LEU H 1.800 . 5.000 3.908 2.006 4.582 . 0 0 "[ . 1]" 1
262 1 35 ARG H 1 37 LEU H 1.800 . 6.500 5.620 4.842 6.525 0.025 5 0 "[ . 1]" 1
263 1 36 LEU HA 1 37 LEU H 1.800 . 4.200 3.437 2.721 3.577 . 0 0 "[ . 1]" 1
264 1 36 LEU QD 1 37 LEU H 1.800 . 7.400 3.087 1.912 4.284 . 0 0 "[ . 1]" 1
265 1 36 LEU H 1 37 LEU H 1.800 . 5.000 3.028 1.898 4.375 . 0 0 "[ . 1]" 1
266 1 37 LEU H 1 38 LEU H 1.800 . 5.000 2.264 1.860 3.110 . 0 0 "[ . 1]" 1
267 1 38 LEU HA 1 39 VAL H 1.800 . 6.500 3.002 2.124 3.592 . 0 0 "[ . 1]" 1
268 1 38 LEU QB 1 39 VAL H 1.800 . 5.200 3.270 1.728 4.029 0.072 9 0 "[ . 1]" 1
269 1 38 LEU H 1 39 VAL H 1.800 . 5.000 2.887 2.470 3.912 . 0 0 "[ . 1]" 1
270 1 39 VAL H 1 40 ASP H 1.800 . 4.200 4.028 3.102 4.419 0.219 1 0 "[ . 1]" 1
271 1 40 ASP HA 1 41 THR H 1.800 . 4.200 2.814 2.511 3.539 . 0 0 "[ . 1]" 1
272 1 40 ASP H 1 41 THR H 1.800 . 2.900 2.696 2.127 3.042 0.142 10 0 "[ . 1]" 1
273 1 42 PRO HA 1 43 GLU H 1.800 . 2.900 2.341 2.223 2.563 . 0 0 "[ . 1]" 1
274 1 42 PRO QD 1 43 GLU H 1.800 . 6.000 4.927 4.655 5.044 . 0 0 "[ . 1]" 1
275 1 43 GLU HA 1 44 THR H 1.800 . 2.900 2.697 2.187 2.951 0.051 6 0 "[ . 1]" 1
276 1 43 GLU QB 1 44 THR H 1.800 . 5.200 3.421 1.997 4.075 . 0 0 "[ . 1]" 1
277 1 43 GLU QG 1 44 THR H 1.800 . 6.000 3.717 2.604 4.696 . 0 0 "[ . 1]" 1
278 1 43 GLU H 1 44 THR H 1.800 . 4.200 3.352 2.023 4.330 0.130 10 0 "[ . 1]" 1
279 1 44 THR H 1 45 LYS H 1.800 . 5.000 4.076 2.764 4.646 . 0 0 "[ . 1]" 1
280 1 44 THR HA 1 45 LYS H 1.800 . 2.900 2.388 2.184 2.641 . 0 0 "[ . 1]" 1
281 1 45 LYS HA 1 46 HIS H 1.800 . 4.200 2.791 2.188 3.592 . 0 0 "[ . 1]" 1
282 1 45 LYS QB 1 46 HIS H 1.800 . 5.200 3.004 2.170 3.981 . 0 0 "[ . 1]" 1
283 1 48 LYS HA 1 49 LYS H 1.800 . 2.900 2.455 2.188 2.929 0.029 9 0 "[ . 1]" 1
284 1 49 LYS HA 1 50 GLY H 1.800 . 4.200 2.347 2.197 2.765 . 0 0 "[ . 1]" 1
285 1 49 LYS QB 1 50 GLY H 1.800 . 5.200 3.331 2.424 4.024 . 0 0 "[ . 1]" 1
286 1 49 LYS QG 1 50 GLY H 1.800 . 6.000 4.063 2.555 4.862 . 0 0 "[ . 1]" 1
287 1 50 GLY H 1 51 VAL H 1.800 . 5.000 3.935 2.831 4.593 . 0 0 "[ . 1]" 1
288 1 50 GLY QA 1 51 VAL H 1.800 . 5.200 2.248 2.159 2.648 . 0 0 "[ . 1]" 1
289 1 51 VAL H 1 52 GLU H 1.800 . 4.200 3.929 2.322 4.337 0.137 6 0 "[ . 1]" 1
290 1 51 VAL HA 1 52 GLU H 1.800 . 2.900 2.544 2.177 2.955 0.055 8 0 "[ . 1]" 1
291 1 51 VAL HB 1 52 GLU H 1.800 . 4.200 3.639 1.852 4.338 0.138 8 0 "[ . 1]" 1
292 1 51 VAL QG 1 52 GLU H 1.800 . 5.300 2.731 1.796 3.772 0.004 6 0 "[ . 1]" 1
293 1 52 GLU HA 1 53 LYS H 1.800 . 2.900 2.427 2.184 2.913 0.013 3 0 "[ . 1]" 1
294 1 52 GLU QB 1 53 LYS H 1.800 . 5.200 3.631 2.233 4.053 . 0 0 "[ . 1]" 1
295 1 53 LYS HA 1 54 TYR H 1.800 . 2.900 2.412 2.190 2.901 0.001 10 0 "[ . 1]" 1
296 1 53 LYS QB 1 54 TYR H 1.800 . 5.200 3.389 2.376 3.887 . 0 0 "[ . 1]" 1
297 1 53 LYS QB 1 55 GLY H 1.800 . 6.000 4.750 3.299 5.398 . 0 0 "[ . 1]" 1
298 1 54 TYR HA 1 55 GLY H 1.800 . 5.000 3.234 2.197 3.596 . 0 0 "[ . 1]" 1
299 1 54 TYR QB 1 55 GLY H 1.800 . 6.000 2.976 2.152 4.044 . 0 0 "[ . 1]" 1
300 1 55 GLY H 1 56 PRO QD 1.800 . 6.000 3.431 1.971 4.316 . 0 0 "[ . 1]" 1
301 1 56 PRO QB 1 57 GLU H 1.800 . 3.900 2.073 1.871 2.963 . 0 0 "[ . 1]" 1
302 1 56 PRO QD 1 57 GLU H 1.800 . 5.200 4.187 2.674 4.716 . 0 0 "[ . 1]" 1
303 1 57 GLU H 1 59 SER H 1.800 . 4.200 3.540 2.825 4.261 0.061 8 0 "[ . 1]" 1
304 1 57 GLU HA 1 58 ALA HA 1.800 . 5.000 4.732 4.617 4.891 . 0 0 "[ . 1]" 1
305 1 58 ALA HA 1 61 PHE QB 1.800 . 6.000 3.491 2.336 4.263 . 0 0 "[ . 1]" 1
306 1 57 GLU HA 1 58 ALA H 1.800 . 4.200 3.503 2.738 3.601 . 0 0 "[ . 1]" 1
307 1 57 GLU QB 1 58 ALA H 1.800 . 5.200 2.780 2.159 4.082 . 0 0 "[ . 1]" 1
308 1 58 ALA H 1 59 SER H 1.800 . 2.900 2.549 1.801 2.887 . 0 0 "[ . 1]" 1
309 1 58 ALA H 1 61 PHE QD 1.800 . 7.000 4.679 2.523 5.975 . 0 0 "[ . 1]" 1
310 1 59 SER HA 1 62 THR HB 1.800 . 4.200 3.395 2.361 4.238 0.038 2 0 "[ . 1]" 1
311 1 56 PRO QB 1 59 SER H 1.800 . 6.000 3.386 2.496 5.484 . 0 0 "[ . 1]" 1
312 1 57 GLU QB 1 59 SER H 1.800 . 6.000 4.641 4.116 4.971 . 0 0 "[ . 1]" 1
313 1 57 GLU QG 1 59 SER H 1.800 . 7.500 3.918 2.618 5.779 . 0 0 "[ . 1]" 1
314 1 58 ALA MB 1 59 SER H 1.800 . 4.400 2.614 2.356 3.292 . 0 0 "[ . 1]" 1
315 1 60 ALA HA 1 63 LYS QB 1.800 . 3.900 2.692 2.175 3.191 . 0 0 "[ . 1]" 1
316 1 56 PRO QB 1 60 ALA H 1.800 . 5.200 3.465 2.162 4.704 . 0 0 "[ . 1]" 1
317 1 57 GLU QG 1 60 ALA H 1.800 . 5.200 4.484 3.934 4.793 . 0 0 "[ . 1]" 1
318 1 59 SER HA 1 60 ALA H 1.800 . 4.200 3.533 3.468 3.590 . 0 0 "[ . 1]" 1
319 1 60 ALA HA 1 61 PHE HA 1.800 . 5.000 4.844 4.734 4.901 . 0 0 "[ . 1]" 1
320 1 61 PHE HA 1 64 LYS QB 1.800 . 6.000 3.091 2.560 3.768 . 0 0 "[ . 1]" 1
321 1 58 ALA HA 1 61 PHE H 1.800 . 4.200 3.727 3.482 3.930 . 0 0 "[ . 1]" 1
322 1 58 ALA MB 1 61 PHE H 1.800 . 5.700 4.748 4.634 4.825 . 0 0 "[ . 1]" 1
323 1 60 ALA HA 1 61 PHE H 1.800 . 4.200 3.537 3.460 3.572 . 0 0 "[ . 1]" 1
324 1 62 THR HA 1 65 MET QB 1.800 . 5.200 3.517 2.349 4.340 . 0 0 "[ . 1]" 1
325 1 61 PHE HA 1 62 THR H 1.800 . 4.200 3.532 3.471 3.579 . 0 0 "[ . 1]" 1
326 1 61 PHE QB 1 62 THR H 1.800 . 3.900 2.734 2.354 3.603 . 0 0 "[ . 1]" 1
327 1 62 THR H 1 63 LYS QB 1.800 . 6.000 4.370 4.155 4.664 . 0 0 "[ . 1]" 1
328 1 62 THR H 1 64 LYS QB 1.800 . 6.000 5.042 4.886 5.224 . 0 0 "[ . 1]" 1
329 1 62 THR HB 1 63 LYS H 1.800 . 2.900 2.818 2.259 3.014 0.114 5 0 "[ . 1]" 1
330 1 62 THR H 1 63 LYS H 1.800 . 2.900 2.527 2.353 2.721 . 0 0 "[ . 1]" 1
331 1 63 LYS H 1 64 LYS QG 1.800 . 6.000 4.824 4.087 5.356 . 0 0 "[ . 1]" 1
332 1 64 LYS HA 1 66 LEU QD 1.800 . 7.400 4.994 3.859 5.566 . 0 0 "[ . 1]" 1
333 1 61 PHE H 1 64 LYS H 1.800 . 5.000 4.920 4.702 5.082 0.082 5 0 "[ . 1]" 1
334 1 62 THR H 1 64 LYS H 1.800 . 5.000 3.963 3.648 4.159 . 0 0 "[ . 1]" 1
335 1 63 LYS HA 1 64 LYS H 1.800 . 5.000 3.477 3.410 3.558 . 0 0 "[ . 1]" 1
336 1 63 LYS QB 1 64 LYS H 1.800 . 3.900 3.128 2.638 3.550 . 0 0 "[ . 1]" 1
337 1 63 LYS QG 1 64 LYS H 1.800 . 6.000 3.825 1.873 4.602 . 0 0 "[ . 1]" 1
338 1 64 LYS H 1 65 MET QB 1.800 . 5.200 4.363 4.029 4.613 . 0 0 "[ . 1]" 1
339 1 64 LYS H 1 67 GLU QB 1.800 . 6.000 4.949 4.688 5.160 . 0 0 "[ . 1]" 1
340 1 64 LYS H 1 67 GLU H 1.800 . 5.000 5.058 4.782 5.256 0.256 5 0 "[ . 1]" 1
341 1 64 LYS H 1 65 MET H 1.800 . 4.200 2.841 2.358 4.082 . 0 0 "[ . 1]" 1
342 1 65 MET H 1 66 LEU H 1.800 . 4.200 2.918 2.639 3.709 . 0 0 "[ . 1]" 1
343 1 66 LEU H 1 67 GLU H 1.800 . 2.900 2.168 1.870 2.444 . 0 0 "[ . 1]" 1
344 1 64 LYS QG 1 67 GLU H 1.800 . 6.000 4.678 3.927 5.274 . 0 0 "[ . 1]" 1
345 1 66 LEU QD 1 67 GLU H 1.800 . 6.600 3.858 3.390 4.297 . 0 0 "[ . 1]" 1
346 1 67 GLU H 1 68 ASN H 1.800 . 2.900 2.528 2.315 2.922 0.022 2 0 "[ . 1]" 1
347 1 64 LYS QG 1 68 ASN H 1.800 . 6.000 5.448 5.373 5.526 . 0 0 "[ . 1]" 1
348 1 66 LEU HA 1 68 ASN H 1.800 . 4.200 3.954 3.282 4.281 0.081 10 0 "[ . 1]" 1
349 1 66 LEU H 1 68 ASN H 1.800 . 4.200 3.808 2.708 4.271 0.071 2 0 "[ . 1]" 1
350 1 67 GLU QB 1 68 ASN H 1.800 . 5.200 3.271 2.754 3.860 . 0 0 "[ . 1]" 1
351 1 66 LEU HA 1 69 ALA H 1.800 . 4.200 3.594 3.173 4.095 . 0 0 "[ . 1]" 1
352 1 68 ASN QB 1 69 ALA H 1.800 . 5.200 3.710 3.468 4.017 . 0 0 "[ . 1]" 1
353 1 68 ASN H 1 69 ALA H 1.800 . 2.900 2.078 1.841 2.364 . 0 0 "[ . 1]" 1
354 1 69 ALA H 1 70 LYS H 1.800 . 6.500 4.595 4.484 4.680 . 0 0 "[ . 1]" 1
355 1 69 ALA HA 1 70 LYS H 1.800 . 2.900 2.312 2.173 2.590 . 0 0 "[ . 1]" 1
356 1 69 ALA MB 1 70 LYS H 1.800 . 4.400 2.723 1.994 3.285 . 0 0 "[ . 1]" 1
357 1 70 LYS H 1 71 LYS QB 1.800 . 6.000 4.192 3.791 4.472 . 0 0 "[ . 1]" 1
358 1 70 LYS H 1 72 ILE MD 1.800 . 6.500 4.989 4.282 5.374 . 0 0 "[ . 1]" 1
359 1 69 ALA HA 1 71 LYS H 1.800 . 4.200 4.315 4.206 4.401 0.201 5 0 "[ . 1]" 1
360 1 69 ALA MB 1 71 LYS H 1.800 . 5.700 3.633 2.866 4.222 . 0 0 "[ . 1]" 1
361 1 70 LYS HA 1 71 LYS H 1.800 . 4.400 3.573 3.540 3.599 . 0 0 "[ . 1]" 1
362 1 70 LYS QB 1 71 LYS H 1.800 . 3.900 2.507 2.225 3.254 . 0 0 "[ . 1]" 1
363 1 70 LYS H 1 71 LYS H 1.800 . 2.900 2.225 1.892 2.530 . 0 0 "[ . 1]" 1
364 1 71 LYS QB 1 72 ILE HA 1.800 . 6.200 4.161 3.943 4.494 . 0 0 "[ . 1]" 1
365 1 71 LYS HA 1 72 ILE H 1.800 . 4.000 2.264 2.218 2.325 . 0 0 "[ . 1]" 1
366 1 72 ILE HA 1 73 GLU H 1.800 . 2.900 2.241 2.115 2.467 . 0 0 "[ . 1]" 1
367 1 72 ILE HB 1 73 GLU H 1.800 . 4.200 4.129 3.297 4.457 0.257 10 0 "[ . 1]" 1
368 1 72 ILE MD 1 73 GLU H 1.800 . 6.500 5.086 4.526 5.449 . 0 0 "[ . 1]" 1
369 1 72 ILE QG 1 73 GLU H 1.800 . 6.000 4.128 3.835 4.431 . 0 0 "[ . 1]" 1
370 1 72 ILE MG 1 73 GLU H 1.800 . 5.700 2.727 1.785 3.267 0.015 5 0 "[ . 1]" 1
371 1 73 GLU H 1 75 GLU QB 1.800 . 7.500 6.373 5.994 6.633 . 0 0 "[ . 1]" 1
372 1 73 GLU HA 1 74 VAL H 1.800 . 4.200 2.453 2.323 2.568 . 0 0 "[ . 1]" 1
373 1 73 GLU QB 1 74 VAL H 1.800 . 5.200 3.909 3.844 3.951 . 0 0 "[ . 1]" 1
374 1 74 VAL HA 1 75 GLU H 1.800 . 2.900 2.174 2.112 2.275 . 0 0 "[ . 1]" 1
375 1 74 VAL HB 1 75 GLU H 1.800 . 4.200 3.965 3.556 4.238 0.038 2 0 "[ . 1]" 1
376 1 74 VAL HB 1 76 PHE QD 1.800 . 6.200 2.415 1.861 3.701 . 0 0 "[ . 1]" 1
377 1 75 GLU HA 1 76 PHE QD 1.800 . 7.000 3.962 3.499 4.569 . 0 0 "[ . 1]" 1
378 1 76 PHE QD 1 80 GLN QB 1.800 . 9.500 4.013 1.737 5.890 0.063 2 0 "[ . 1]" 1
379 1 75 GLU HA 1 76 PHE QE 1.800 . 7.000 5.308 4.649 5.927 . 0 0 "[ . 1]" 1
380 1 76 PHE QE 1 80 GLN QB 1.800 . 9.500 5.103 3.119 7.001 . 0 0 "[ . 1]" 1
381 1 75 GLU HA 1 76 PHE H 1.800 . 2.900 2.284 2.184 2.432 . 0 0 "[ . 1]" 1
382 1 75 GLU QB 1 76 PHE H 1.800 . 5.200 3.877 3.561 4.056 . 0 0 "[ . 1]" 1
383 1 76 PHE HA 1 77 ASP H 1.800 . 4.200 2.627 2.131 3.218 . 0 0 "[ . 1]" 1
384 1 76 PHE QB 1 77 ASP H 1.800 . 5.200 3.629 2.221 4.101 . 0 0 "[ . 1]" 1
385 1 76 PHE QD 1 77 ASP H 3.800 3.800 9.000 4.072 3.386 4.679 0.414 9 0 "[ . 1]" 1
386 1 76 PHE H 1 77 ASP H 1.800 . 4.200 3.349 2.223 4.448 0.248 9 0 "[ . 1]" 1
387 1 77 ASP QB 1 78 LYS H 1.800 . 6.000 2.563 1.790 3.512 0.010 6 0 "[ . 1]" 1
388 1 77 ASP H 1 78 LYS H 1.800 . 5.000 4.336 2.198 4.722 . 0 0 "[ . 1]" 1
389 1 78 LYS HA 1 79 GLY H 1.800 . 4.200 2.772 2.199 3.596 . 0 0 "[ . 1]" 1
390 1 78 LYS QB 1 79 GLY H 1.800 . 5.200 3.299 2.358 4.005 . 0 0 "[ . 1]" 1
391 1 79 GLY QA 1 80 GLN H 1.800 . 5.200 2.344 2.171 2.911 . 0 0 "[ . 1]" 1
392 1 79 GLY H 1 80 GLN H 1.800 . 4.200 3.853 2.812 4.407 0.207 4 0 "[ . 1]" 1
393 1 80 GLN H 1 82 THR H 1.800 . 5.000 5.131 5.008 5.301 0.301 10 0 "[ . 1]" 1
394 1 80 GLN HA 1 81 ARG H 1.800 . 4.200 3.137 2.204 3.588 . 0 0 "[ . 1]" 1
395 1 80 GLN H 1 81 ARG H 1.800 . 5.000 3.336 2.430 4.680 . 0 0 "[ . 1]" 1
396 1 82 THR HA 1 86 GLY QA 1.800 . 5.200 3.559 1.505 4.852 0.295 5 0 "[ . 1]" 1
397 1 82 THR HB 1 83 ASP QB 1.800 . 5.200 4.474 3.400 4.774 . 0 0 "[ . 1]" 1
398 1 82 THR HB 1 86 GLY QA 1.800 . 3.900 2.974 1.978 3.840 . 0 0 "[ . 1]" 1
399 1 81 ARG H 1 82 THR H 1.800 . 4.200 3.092 2.135 3.757 . 0 0 "[ . 1]" 1
400 1 82 THR HA 1 83 ASP H 1.800 . 5.000 2.737 2.139 3.536 . 0 0 "[ . 1]" 1
401 1 82 THR HB 1 83 ASP H 1.800 . 4.200 2.804 1.935 4.332 0.132 5 0 "[ . 1]" 1
402 1 82 THR H 1 83 ASP H 1.800 . 4.200 3.955 2.984 4.595 0.395 3 0 "[ . 1]" 1
403 1 83 ASP HA 1 84 LYS H 1.800 . 5.000 3.177 2.576 3.581 . 0 0 "[ . 1]" 1
404 1 84 LYS HA 1 85 TYR H 1.800 . 4.200 3.201 2.338 3.586 . 0 0 "[ . 1]" 1
405 1 85 TYR H 1 86 GLY QA 1.800 . 5.200 4.057 3.615 4.546 . 0 0 "[ . 1]" 1
406 1 85 TYR H 1 87 ARG QB 1.800 . 6.000 5.219 4.583 5.822 . 0 0 "[ . 1]" 1
407 1 83 ASP HA 1 86 GLY H 1.800 . 5.000 4.860 4.186 5.237 0.237 3 0 "[ . 1]" 1
408 1 84 LYS QB 1 86 GLY H 1.800 . 5.200 4.162 3.506 4.747 . 0 0 "[ . 1]" 1
409 1 85 TYR HA 1 86 GLY H 1.800 . 5.000 3.414 2.826 3.559 . 0 0 "[ . 1]" 1
410 1 85 TYR QB 1 86 GLY H 1.800 . 6.000 3.094 2.672 3.883 . 0 0 "[ . 1]" 1
411 1 85 TYR H 1 86 GLY H 1.800 . 2.900 2.179 1.802 2.935 0.035 2 0 "[ . 1]" 1
412 1 85 TYR QE 1 87 ARG HE 1.800 . 8.500 7.089 5.937 7.900 . 0 0 "[ . 1]" 1
413 1 87 ARG QB 1 87 ARG HE 1.800 . 5.200 3.144 1.661 4.345 0.139 4 0 "[ . 1]" 1
414 1 87 ARG HE 1 88 VAL HB 1.800 . 5.000 5.159 5.041 5.296 0.296 8 0 "[ . 1]" 1
415 1 86 GLY H 1 87 ARG H 1.800 . 2.900 2.553 2.114 3.132 0.232 3 0 "[ . 1]" 1
416 1 87 ARG QB 1 88 VAL HA 1.800 . 5.200 4.339 3.863 4.526 . 0 0 "[ . 1]" 1
417 1 87 ARG QB 1 88 VAL HB 1.800 . 6.000 4.588 3.685 5.354 . 0 0 "[ . 1]" 1
418 1 87 ARG QG 1 88 VAL HB 1.800 . 6.000 4.435 3.507 5.629 . 0 0 "[ . 1]" 1
419 1 88 VAL HB 1 92 ILE MD 1.800 . 6.500 5.148 4.172 5.510 . 0 0 "[ . 1]" 1
420 1 88 VAL MG2 1 89 LEU HG 1.800 . 7.500 5.902 5.509 6.498 . 0 0 "[ . 1]" 1
421 1 87 ARG HA 1 88 VAL H 1.800 . 2.900 2.722 2.244 3.099 0.199 8 0 "[ . 1]" 1
422 1 87 ARG QB 1 88 VAL H 1.800 . 5.200 2.414 1.735 3.286 0.065 7 0 "[ . 1]" 1
423 1 87 ARG QG 1 88 VAL H 1.800 . 5.200 2.415 1.792 3.666 0.008 1 0 "[ . 1]" 1
424 1 88 VAL H 1 89 LEU H 1.800 . 5.000 3.679 2.970 4.122 . 0 0 "[ . 1]" 1
425 1 87 ARG HA 1 89 LEU H 1.800 . 5.000 4.912 4.539 5.122 0.122 5 0 "[ . 1]" 1
426 1 88 VAL HA 1 89 LEU H 1.800 . 4.200 2.452 2.278 2.723 . 0 0 "[ . 1]" 1
427 1 89 LEU QD 1 91 TYR H 1.800 . 8.900 6.446 5.863 6.734 . 0 0 "[ . 1]" 1
428 1 90 ALA HA 1 91 TYR H 1.800 . 4.200 2.647 2.230 3.493 . 0 0 "[ . 1]" 1
429 1 90 ALA MB 1 91 TYR H 1.800 . 4.400 2.358 1.749 2.964 0.051 6 0 "[ . 1]" 1
430 1 91 TYR H 1 93 TYR QD 1.800 . 8.500 5.843 4.624 6.655 . 0 0 "[ . 1]" 1
431 1 91 TYR H 1 93 TYR H 1.800 . 6.500 6.397 6.047 6.571 0.071 2 0 "[ . 1]" 1
432 1 91 TYR QB 1 92 ILE H 1.800 . 3.900 2.635 2.422 2.978 . 0 0 "[ . 1]" 1
433 1 92 ILE H 1 93 TYR QE 1.800 . 7.000 3.655 3.105 4.206 . 0 0 "[ . 1]" 1
434 1 91 TYR HA 1 93 TYR QD 1.800 . 6.200 5.289 4.895 5.857 . 0 0 "[ . 1]" 1
435 1 91 TYR QB 1 93 TYR QD 1.800 . 7.200 3.526 3.208 3.841 . 0 0 "[ . 1]" 1
436 1 93 TYR QD 1 94 ALA HA 1.800 . 8.500 5.955 5.828 6.027 . 0 0 "[ . 1]" 1
437 1 93 TYR QD 1 97 LYS QB 1.800 . 7.200 3.999 3.002 4.886 . 0 0 "[ . 1]" 1
438 1 93 TYR QD 1 97 LYS QG 1.800 . 7.200 4.114 1.930 5.971 . 0 0 "[ . 1]" 1
439 1 91 TYR HA 1 93 TYR QE 1.800 . 6.200 4.188 3.685 4.786 . 0 0 "[ . 1]" 1
440 1 91 TYR QB 1 93 TYR QE 1.800 . 7.200 2.057 1.685 2.725 0.115 8 0 "[ . 1]" 1
441 1 93 TYR QE 1 94 ALA HA 1.800 . 8.500 7.985 7.906 8.056 . 0 0 "[ . 1]" 1
442 1 93 TYR QE 1 97 LYS QB 1.800 . 7.200 5.460 4.963 6.036 . 0 0 "[ . 1]" 1
443 1 93 TYR QE 1 97 LYS QG 1.800 . 8.000 5.588 4.162 6.617 . 0 0 "[ . 1]" 1
444 1 92 ILE HA 1 93 TYR H 1.800 . 2.900 2.230 2.163 2.295 . 0 0 "[ . 1]" 1
445 1 92 ILE MG 1 93 TYR H 1.800 . 4.400 2.964 2.358 3.415 . 0 0 "[ . 1]" 1
446 1 93 TYR HA 1 94 ALA H 1.800 . 2.900 2.361 2.152 2.690 . 0 0 "[ . 1]" 1
447 1 94 ALA H 1 95 ASP QB 1.800 . 6.000 5.134 4.779 5.492 . 0 0 "[ . 1]" 1
448 1 94 ALA HA 1 95 ASP H 1.800 . 2.900 2.338 2.133 3.030 0.130 7 0 "[ . 1]" 1
449 1 94 ALA H 1 95 ASP H 1.800 . 4.200 4.322 4.101 4.481 0.281 2 0 "[ . 1]" 1
450 1 94 ALA HA 1 96 GLY H 1.800 . 5.000 4.268 3.458 5.059 0.059 7 0 "[ . 1]" 1
451 1 95 ASP HA 1 96 GLY H 1.800 . 4.200 2.961 2.306 3.602 . 0 0 "[ . 1]" 1
452 1 95 ASP QB 1 96 GLY H 1.800 . 5.000 3.470 2.052 4.060 . 0 0 "[ . 1]" 1
453 1 95 ASP H 1 96 GLY H 1.800 . 4.200 3.189 2.672 4.211 0.011 7 0 "[ . 1]" 1
454 1 96 GLY H 1 97 LYS HA 1.800 . 5.000 4.744 4.209 5.215 0.215 8 0 "[ . 1]" 1
455 1 96 GLY H 1 97 LYS QB 1.800 . 6.000 4.049 3.588 4.980 . 0 0 "[ . 1]" 1
456 1 95 ASP QB 1 97 LYS H 1.800 . 6.000 4.516 3.261 5.557 . 0 0 "[ . 1]" 1
457 1 96 GLY QA 1 97 LYS H 1.800 . 5.200 2.690 2.477 2.910 . 0 0 "[ . 1]" 1
458 1 96 GLY H 1 97 LYS H 1.800 . 2.900 2.544 2.106 3.055 0.155 2 0 "[ . 1]" 1
459 1 97 LYS H 1 98 MET QB 1.800 . 6.000 5.039 4.501 5.415 . 0 0 "[ . 1]" 1
460 1 97 LYS QD 1 98 MET H 1.800 . 7.500 4.760 3.518 5.852 . 0 0 "[ . 1]" 1
461 1 98 MET H 1 99 VAL HA 1.800 . 5.000 4.728 3.974 4.998 . 0 0 "[ . 1]" 1
462 1 98 MET H 1 99 VAL HB 1.800 . 5.000 4.460 3.928 5.170 0.170 7 0 "[ . 1]" 1
463 1 98 MET HA 1 99 VAL H 1.800 . 5.000 3.319 2.977 3.570 . 0 0 "[ . 1]" 1
464 1 98 MET QB 1 99 VAL H 1.800 . 6.000 3.485 3.226 3.771 . 0 0 "[ . 1]" 1
465 1 98 MET H 1 99 VAL H 1.800 . 5.000 2.315 1.928 2.647 . 0 0 "[ . 1]" 1
466 1 96 GLY QA 1 100 ASN H 1.800 . 6.000 5.305 3.387 5.758 . 0 0 "[ . 1]" 1
467 1 97 LYS QB 1 100 ASN H 1.800 . 6.000 4.778 3.884 5.492 . 0 0 "[ . 1]" 1
468 1 99 VAL MG1 1 100 ASN H 1.800 . 4.400 3.593 3.162 3.800 . 0 0 "[ . 1]" 1
469 1 99 VAL HA 1 101 GLU H 1.800 . 4.200 3.707 3.100 4.334 0.134 10 0 "[ . 1]" 1
470 1 101 GLU QB 1 102 ALA H 1.800 . 6.000 2.866 2.412 3.703 . 0 0 "[ . 1]" 1
471 1 101 GLU H 1 102 ALA H 1.800 . 2.900 2.719 2.428 2.919 0.019 8 0 "[ . 1]" 1
472 1 102 ALA HA 1 103 LEU H 1.800 . 2.900 2.219 2.177 2.408 . 0 0 "[ . 1]" 1
473 1 3 SER H 1 3 SER HA 1.800 . 2.900 2.824 2.338 2.970 0.070 4 0 "[ . 1]" 1
474 1 3 SER H 1 3 SER QB 1.800 . 3.900 2.715 2.222 3.303 . 0 0 "[ . 1]" 1
475 1 6 LYS H 1 6 LYS HA 1.800 . 2.900 2.911 2.834 2.980 0.080 9 0 "[ . 1]" 1
476 1 6 LYS H 1 6 LYS QB 1.800 . 3.900 3.115 2.570 3.430 . 0 0 "[ . 1]" 1
477 1 6 LYS H 1 6 LYS QG 1.800 . 6.000 2.986 2.010 4.185 . 0 0 "[ . 1]" 1
478 1 9 LYS H 1 9 LYS HA 1.800 . 2.900 2.894 2.851 2.976 0.076 10 0 "[ . 1]" 1
479 1 9 LYS H 1 9 LYS QG 1.800 . 3.900 2.238 1.722 2.626 0.078 6 0 "[ . 1]" 1
480 1 10 GLU H 1 10 GLU QB 1.800 . 3.900 2.882 2.736 3.370 . 0 0 "[ . 1]" 1
481 1 10 GLU H 1 10 GLU QG 1.800 . 5.200 3.932 2.192 4.367 . 0 0 "[ . 1]" 1
482 1 12 ALA H 1 12 ALA MB 1.800 . 4.400 2.485 2.323 2.639 . 0 0 "[ . 1]" 1
483 1 14 LEU H 1 14 LEU QB 1.800 . 3.900 2.343 2.106 2.472 . 0 0 "[ . 1]" 1
484 1 14 LEU H 1 14 LEU QD 1.800 . 5.300 2.949 1.822 3.760 . 0 0 "[ . 1]" 1
485 1 14 LEU H 1 14 LEU HG 1.800 . 4.200 3.414 2.400 4.339 0.139 2 0 "[ . 1]" 1
486 1 15 ILE H 1 15 ILE HB 1.800 . 4.200 2.974 2.501 3.809 . 0 0 "[ . 1]" 1
487 1 15 ILE H 1 15 ILE QG 1.800 . 5.200 2.358 1.980 2.775 . 0 0 "[ . 1]" 1
488 1 17 ALA H 1 17 ALA MB 1.800 . 4.400 2.300 2.138 2.620 . 0 0 "[ . 1]" 1
489 1 18 ILE H 1 18 ILE HB 1.800 . 2.900 2.303 2.175 2.680 . 0 0 "[ . 1]" 1
490 1 18 ILE H 1 18 ILE MD 1.800 . 6.500 2.470 2.039 3.392 . 0 0 "[ . 1]" 1
491 1 18 ILE H 1 18 ILE QG 1.800 . 5.200 2.990 2.529 3.624 . 0 0 "[ . 1]" 1
492 1 19 ASP H 1 19 ASP QB 1.800 . 3.900 2.892 2.588 3.488 . 0 0 "[ . 1]" 1
493 1 21 ASP H 1 21 ASP QB 1.800 . 3.900 2.670 2.312 3.542 . 0 0 "[ . 1]" 1
494 1 22 THR HA 1 22 THR HB 1.800 . 2.900 2.925 2.518 3.033 0.133 6 0 "[ . 1]" 1
495 1 22 THR HA 1 22 THR MG 1.800 . 4.400 2.220 1.999 2.410 . 0 0 "[ . 1]" 1
496 1 22 THR H 1 22 THR HB 1.800 . 4.200 2.949 2.430 3.831 . 0 0 "[ . 1]" 1
497 1 22 THR H 1 22 THR MG 1.800 . 6.500 3.707 2.941 3.916 . 0 0 "[ . 1]" 1
498 1 23 VAL HA 1 23 VAL HB 1.800 . 2.900 2.565 2.493 2.677 . 0 0 "[ . 1]" 1
499 1 23 VAL HA 1 23 VAL QG 1.800 . 5.300 2.166 2.067 2.298 . 0 0 "[ . 1]" 1
500 1 23 VAL H 1 23 VAL HB 1.800 . 4.200 3.839 3.737 3.924 . 0 0 "[ . 1]" 1
501 1 23 VAL H 1 23 VAL QG 1.800 . 5.300 2.123 1.977 2.354 . 0 0 "[ . 1]" 1
502 1 24 LYS H 1 24 LYS QG 1.800 . 5.200 3.704 2.069 4.079 . 0 0 "[ . 1]" 1
503 1 25 LEU H 1 25 LEU QB 1.800 . 3.900 2.825 2.220 3.320 . 0 0 "[ . 1]" 1
504 1 26 MET H 1 26 MET QG 1.800 . 5.200 3.169 2.058 4.071 . 0 0 "[ . 1]" 1
505 1 27 TYR HA 1 27 TYR QD 1.800 . 4.900 3.636 3.346 3.733 . 0 0 "[ . 1]" 1
506 1 27 TYR H 1 27 TYR QD 1.800 . 7.000 2.258 1.904 2.834 . 0 0 "[ . 1]" 1
507 1 28 LYS HA 1 28 LYS QD 1.800 . 5.200 3.355 2.335 4.167 . 0 0 "[ . 1]" 1
508 1 28 LYS HA 1 28 LYS QG 1.800 . 5.200 2.387 1.949 3.326 . 0 0 "[ . 1]" 1
509 1 28 LYS H 1 28 LYS HA 1.800 . 2.900 2.763 2.311 2.981 0.081 8 0 "[ . 1]" 1
510 1 28 LYS H 1 28 LYS QB 1.800 . 3.900 2.807 2.435 3.239 . 0 0 "[ . 1]" 1
511 1 28 LYS H 1 28 LYS QD 1.800 . 5.200 3.980 2.638 4.540 . 0 0 "[ . 1]" 1
512 1 28 LYS H 1 28 LYS QG 1.800 . 5.200 3.611 2.279 4.380 . 0 0 "[ . 1]" 1
513 1 30 GLN H 1 30 GLN HA 1.800 . 2.900 2.953 2.919 2.984 0.084 1 0 "[ . 1]" 1
514 1 30 GLN H 1 30 GLN QB 1.800 . 3.900 2.974 2.535 3.360 . 0 0 "[ . 1]" 1
515 1 30 GLN H 1 30 GLN QG 1.800 . 5.200 2.979 1.971 4.239 . 0 0 "[ . 1]" 1
516 1 32 MET HA 1 32 MET QG 1.800 . 3.900 2.708 2.289 3.308 . 0 0 "[ . 1]" 1
517 1 32 MET H 1 32 MET QB 1.800 . 3.900 2.746 2.281 3.261 . 0 0 "[ . 1]" 1
518 1 32 MET H 1 32 MET QG 1.800 . 5.200 2.859 1.889 4.024 . 0 0 "[ . 1]" 1
519 1 33 THR HA 1 33 THR HB 1.800 . 2.900 2.583 2.352 3.025 0.125 8 0 "[ . 1]" 1
520 1 33 THR HA 1 33 THR MG 1.800 . 4.400 2.739 2.212 3.214 . 0 0 "[ . 1]" 1
521 1 33 THR H 1 33 THR HB 1.800 . 4.200 3.278 2.744 3.783 . 0 0 "[ . 1]" 1
522 1 34 PHE HA 1 34 PHE QD 1.800 . 4.900 2.977 1.997 3.597 . 0 0 "[ . 1]" 1
523 1 34 PHE H 1 34 PHE QB 1.800 . 3.900 2.572 2.145 3.342 . 0 0 "[ . 1]" 1
524 1 34 PHE H 1 34 PHE QD 1.800 . 4.900 2.494 1.881 3.670 . 0 0 "[ . 1]" 1
525 1 35 ARG QB 1 35 ARG HE 1.800 . 3.900 3.080 1.936 3.645 . 0 0 "[ . 1]" 1
526 1 38 LEU H 1 38 LEU QB 1.800 . 3.900 2.728 2.144 3.470 . 0 0 "[ . 1]" 1
527 1 38 LEU H 1 38 LEU HG 1.800 . 6.000 4.284 2.873 4.683 . 0 0 "[ . 1]" 1
528 1 41 THR H 1 41 THR HB 1.800 . 2.900 2.448 2.214 2.955 0.055 1 0 "[ . 1]" 1
529 1 41 THR H 1 41 THR MG 1.800 . 4.200 3.650 3.480 3.732 . 0 0 "[ . 1]" 1
530 1 43 GLU H 1 43 GLU QB 1.800 . 3.900 2.883 2.432 3.377 . 0 0 "[ . 1]" 1
531 1 43 GLU H 1 43 GLU QG 1.800 . 3.900 2.645 2.045 3.569 . 0 0 "[ . 1]" 1
532 1 44 THR H 1 44 THR MG 1.800 . 5.700 3.259 1.988 4.032 . 0 0 "[ . 1]" 1
533 1 45 LYS H 1 45 LYS QB 1.800 . 3.900 2.563 2.191 3.205 . 0 0 "[ . 1]" 1
534 1 45 LYS H 1 45 LYS QG 1.800 . 6.000 3.412 2.090 4.275 . 0 0 "[ . 1]" 1
535 1 49 LYS H 1 49 LYS QB 1.800 . 3.900 2.534 2.128 3.131 . 0 0 "[ . 1]" 1
536 1 49 LYS H 1 49 LYS QD 1.800 . 5.200 4.049 2.051 4.651 . 0 0 "[ . 1]" 1
537 1 49 LYS H 1 49 LYS QG 1.800 . 5.200 2.846 1.869 4.323 . 0 0 "[ . 1]" 1
538 1 51 VAL HA 1 51 VAL HB 1.800 . 2.900 2.681 2.486 3.012 0.112 5 0 "[ . 1]" 1
539 1 51 VAL HA 1 51 VAL QG 1.800 . 5.300 2.151 1.958 2.272 . 0 0 "[ . 1]" 1
540 1 51 VAL H 1 51 VAL HB 1.800 . 4.200 3.330 2.760 3.839 . 0 0 "[ . 1]" 1
541 1 51 VAL H 1 51 VAL QG 1.800 . 5.300 2.298 2.105 2.508 . 0 0 "[ . 1]" 1
542 1 52 GLU H 1 52 GLU QB 1.800 . 2.900 2.319 2.098 2.600 . 0 0 "[ . 1]" 1
543 1 53 LYS H 1 53 LYS QB 1.800 . 3.900 2.600 2.215 2.864 . 0 0 "[ . 1]" 1
544 1 53 LYS H 1 53 LYS QG 1.800 . 5.200 3.645 2.077 4.342 . 0 0 "[ . 1]" 1
545 1 54 TYR H 1 54 TYR QB 1.800 . 3.900 2.563 2.143 3.133 . 0 0 "[ . 1]" 1
546 1 57 GLU HA 1 57 GLU QG 1.800 . 5.200 3.000 2.105 3.379 . 0 0 "[ . 1]" 1
547 1 58 ALA H 1 58 ALA MB 1.800 . 5.700 2.373 2.229 3.011 . 0 0 "[ . 1]" 1
548 1 59 SER H 1 59 SER HA 1.800 . 2.900 2.904 2.863 2.928 0.028 10 0 "[ . 1]" 1
549 1 59 SER H 1 59 SER QB 1.800 . 3.900 2.288 2.128 2.785 . 0 0 "[ . 1]" 1
550 1 60 ALA H 1 60 ALA MB 1.800 . 4.400 2.197 2.081 2.270 . 0 0 "[ . 1]" 1
551 1 61 PHE HA 1 61 PHE QD 1.800 . 4.900 2.465 1.880 3.646 . 0 0 "[ . 1]" 1
552 1 61 PHE H 1 61 PHE QB 1.800 . 3.900 2.394 2.139 2.560 . 0 0 "[ . 1]" 1
553 1 61 PHE H 1 61 PHE QD 1.800 . 8.500 2.771 2.120 3.188 . 0 0 "[ . 1]" 1
554 1 62 THR HA 1 62 THR MG 1.800 . 4.400 2.347 2.113 2.746 . 0 0 "[ . 1]" 1
555 1 62 THR H 1 62 THR HB 1.800 . 4.200 2.609 2.137 3.217 . 0 0 "[ . 1]" 1
556 1 62 THR H 1 62 THR MG 1.800 . 5.700 3.698 3.477 3.793 . 0 0 "[ . 1]" 1
557 1 63 LYS H 1 63 LYS HA 1.800 . 2.900 2.886 2.832 2.921 0.021 9 0 "[ . 1]" 1
558 1 63 LYS H 1 63 LYS QB 1.800 . 3.900 2.246 2.072 2.486 . 0 0 "[ . 1]" 1
559 1 64 LYS HA 1 64 LYS QD 1.800 . 3.900 3.142 1.768 3.594 0.032 3 0 "[ . 1]" 1
560 1 64 LYS HA 1 64 LYS QG 1.800 . 6.000 2.629 2.008 3.435 . 0 0 "[ . 1]" 1
561 1 64 LYS H 1 64 LYS HA 1.800 . 2.900 2.903 2.877 2.920 0.020 2 0 "[ . 1]" 1
562 1 64 LYS H 1 64 LYS QB 1.800 . 3.900 2.292 2.155 2.532 . 0 0 "[ . 1]" 1
563 1 64 LYS H 1 64 LYS QD 1.800 . 3.900 3.130 2.205 3.787 . 0 0 "[ . 1]" 1
564 1 64 LYS H 1 64 LYS QG 1.800 . 5.200 2.818 2.077 3.325 . 0 0 "[ . 1]" 1
565 1 65 MET H 1 65 MET QB 1.800 . 3.900 2.429 2.081 3.396 . 0 0 "[ . 1]" 1
566 1 65 MET H 1 65 MET QG 1.800 . 5.200 3.157 2.411 4.378 . 0 0 "[ . 1]" 1
567 1 66 LEU H 1 66 LEU QD 1.800 . 5.300 3.211 2.314 4.151 . 0 0 "[ . 1]" 1
568 1 67 GLU H 1 67 GLU QB 1.800 . 3.900 2.221 2.073 2.458 . 0 0 "[ . 1]" 1
569 1 67 GLU H 1 67 GLU QG 1.800 . 3.900 3.129 2.380 3.739 . 0 0 "[ . 1]" 1
570 1 68 ASN H 1 68 ASN QB 1.800 . 3.900 2.945 2.507 3.225 . 0 0 "[ . 1]" 1
571 1 69 ALA H 1 69 ALA MB 1.800 . 4.400 2.193 2.047 2.303 . 0 0 "[ . 1]" 1
572 1 70 LYS H 1 70 LYS QB 1.800 . 3.900 2.459 2.150 3.035 . 0 0 "[ . 1]" 1
573 1 70 LYS H 1 70 LYS QG 1.800 . 5.200 3.577 1.910 4.160 . 0 0 "[ . 1]" 1
574 1 71 LYS H 1 71 LYS QB 1.800 . 3.900 2.294 2.156 2.540 . 0 0 "[ . 1]" 1
575 1 72 ILE H 1 72 ILE HB 1.800 . 2.900 2.670 2.385 2.862 . 0 0 "[ . 1]" 1
576 1 72 ILE H 1 72 ILE MD 1.800 . 5.700 3.661 2.441 4.505 . 0 0 "[ . 1]" 1
577 1 72 ILE H 1 72 ILE QG 1.800 . 5.200 3.008 2.568 3.363 . 0 0 "[ . 1]" 1
578 1 74 VAL H 1 74 VAL HB 1.800 . 4.200 3.317 2.941 3.545 . 0 0 "[ . 1]" 1
579 1 75 GLU H 1 75 GLU QG 1.800 . 5.200 3.421 1.892 3.999 . 0 0 "[ . 1]" 1
580 1 76 PHE HA 1 76 PHE QD 1.800 . 4.900 3.534 2.057 3.729 . 0 0 "[ . 1]" 1
581 1 76 PHE H 1 76 PHE QD 1.800 . 4.900 2.535 1.873 3.006 . 0 0 "[ . 1]" 1
582 1 77 ASP H 1 77 ASP QB 1.800 . 3.900 2.789 2.402 3.023 . 0 0 "[ . 1]" 1
583 1 78 LYS H 1 78 LYS HA 1.800 . 2.900 2.831 2.742 2.902 0.002 4 0 "[ . 1]" 1
584 1 78 LYS H 1 78 LYS QB 1.800 . 3.900 2.381 2.140 2.799 . 0 0 "[ . 1]" 1
585 1 78 LYS H 1 78 LYS QG 1.800 . 5.200 3.032 1.941 4.088 . 0 0 "[ . 1]" 1
586 1 80 GLN H 1 80 GLN HA 1.800 . 2.900 2.880 2.786 2.925 0.025 3 0 "[ . 1]" 1
587 1 80 GLN H 1 80 GLN QB 1.800 . 3.900 2.304 2.131 2.872 . 0 0 "[ . 1]" 1
588 1 80 GLN H 1 80 GLN QG 1.800 . 5.200 3.211 1.929 4.127 . 0 0 "[ . 1]" 1
589 1 81 ARG QB 1 81 ARG HE 1.800 . 5.200 3.485 2.203 4.285 . 0 0 "[ . 1]" 1
590 1 81 ARG H 1 81 ARG QB 1.800 . 3.900 2.811 2.046 3.410 . 0 0 "[ . 1]" 1
591 1 81 ARG H 1 81 ARG QD 1.800 . 6.000 4.339 3.836 4.967 . 0 0 "[ . 1]" 1
592 1 81 ARG H 1 81 ARG QG 1.800 . 5.200 3.671 2.575 4.444 . 0 0 "[ . 1]" 1
593 1 82 THR HA 1 82 THR HB 1.800 . 2.900 2.706 2.500 2.999 0.099 6 0 "[ . 1]" 1
594 1 82 THR HA 1 82 THR MG 1.800 . 4.400 2.199 1.977 2.650 . 0 0 "[ . 1]" 1
595 1 82 THR H 1 82 THR MG 1.800 . 5.700 3.321 2.449 3.921 . 0 0 "[ . 1]" 1
596 1 84 LYS H 1 84 LYS HA 1.800 . 2.900 2.950 2.913 2.979 0.079 4 0 "[ . 1]" 1
597 1 84 LYS H 1 84 LYS QB 1.800 . 3.900 2.501 2.100 2.814 . 0 0 "[ . 1]" 1
598 1 85 TYR H 1 85 TYR QB 1.800 . 3.900 2.906 2.295 3.290 . 0 0 "[ . 1]" 1
599 1 87 ARG H 1 87 ARG HE 1.800 . 5.000 5.015 4.527 5.238 0.238 4 0 "[ . 1]" 1
600 1 88 VAL H 1 88 VAL HB 1.800 . 4.200 2.668 2.436 2.969 . 0 0 "[ . 1]" 1
601 1 89 LEU H 1 89 LEU QB 1.800 . 5.200 2.555 2.290 2.861 . 0 0 "[ . 1]" 1
602 1 89 LEU H 1 89 LEU MD1 1.800 . 5.700 3.536 1.826 4.038 . 0 0 "[ . 1]" 1
603 1 89 LEU H 1 89 LEU MD2 1.800 . 5.700 2.712 1.897 3.526 . 0 0 "[ . 1]" 1
604 1 89 LEU H 1 89 LEU HG 1.800 . 4.200 2.372 1.792 3.347 0.008 2 0 "[ . 1]" 1
605 1 90 ALA H 1 90 ALA MB 1.800 . 5.700 2.668 2.498 2.797 . 0 0 "[ . 1]" 1
606 1 91 TYR H 1 91 TYR QD 1.800 . 7.000 3.276 2.275 4.289 . 0 0 "[ . 1]" 1
607 1 92 ILE QG 1 92 ILE MG 1.800 . 7.600 2.293 2.173 2.398 . 0 0 "[ . 1]" 1
608 1 92 ILE H 1 92 ILE MD 1.800 . 4.400 3.317 2.828 3.641 . 0 0 "[ . 1]" 1
609 1 92 ILE H 1 92 ILE MG 1.800 . 5.700 3.910 3.834 3.995 . 0 0 "[ . 1]" 1
610 1 93 TYR HA 1 93 TYR QD 1.800 . 4.900 2.464 1.792 3.102 0.008 3 0 "[ . 1]" 1
611 1 93 TYR HA 1 93 TYR QE 1.800 . 6.200 4.509 4.168 4.894 . 0 0 "[ . 1]" 1
612 1 93 TYR H 1 93 TYR QD 1.800 . 4.900 3.009 2.169 3.549 . 0 0 "[ . 1]" 1
613 1 94 ALA H 1 94 ALA HA 1.800 . 2.900 2.924 2.880 2.952 0.052 6 0 "[ . 1]" 1
614 1 94 ALA H 1 94 ALA MB 1.800 . 4.400 2.348 2.117 2.702 . 0 0 "[ . 1]" 1
615 1 95 ASP H 1 95 ASP HA 1.800 . 2.900 2.439 2.337 2.862 . 0 0 "[ . 1]" 1
616 1 97 LYS H 1 97 LYS QB 1.800 . 3.900 2.802 2.238 3.329 . 0 0 "[ . 1]" 1
617 1 98 MET H 1 98 MET HA 1.800 . 2.900 2.738 2.329 2.981 0.081 6 0 "[ . 1]" 1
618 1 98 MET H 1 98 MET QB 1.800 . 3.900 3.032 2.194 3.424 . 0 0 "[ . 1]" 1
619 1 98 MET H 1 98 MET QG 1.800 . 5.200 2.774 1.736 4.251 0.064 10 0 "[ . 1]" 1
620 1 99 VAL H 1 99 VAL HA 1.800 . 2.900 2.574 2.276 2.902 0.002 9 0 "[ . 1]" 1
621 1 99 VAL H 1 99 VAL HB 1.800 . 2.900 2.716 2.403 2.976 0.076 1 0 "[ . 1]" 1
622 1 100 ASN H 1 100 ASN QB 1.800 . 3.900 2.344 2.093 2.644 . 0 0 "[ . 1]" 1
623 1 101 GLU H 1 101 GLU HA 1.800 . 2.900 2.865 2.802 2.926 0.026 8 0 "[ . 1]" 1
624 1 101 GLU H 1 101 GLU QB 1.800 . 3.900 2.251 2.089 2.535 . 0 0 "[ . 1]" 1
625 1 103 LEU H 1 103 LEU QD 1.800 . 6.600 3.130 1.820 4.148 . 0 0 "[ . 1]" 1
626 1 13 THR H 1 25 LEU MD2 1.800 . 6.500 3.244 1.843 5.477 . 0 0 "[ . 1]" 1
627 1 12 ALA MB 1 25 LEU MD1 1.800 . 7.200 2.292 1.593 3.756 0.207 10 0 "[ . 1]" 1
628 1 27 TYR QD 1 74 VAL MG1 1.800 . 6.400 3.668 2.397 4.327 . 0 0 "[ . 1]" 1
629 1 27 TYR QD 1 74 VAL MG2 1.800 . 7.700 3.331 1.926 3.938 . 0 0 "[ . 1]" 1
630 1 27 TYR QD 1 88 VAL MG1 1.800 . 8.500 3.699 2.698 4.356 . 0 0 "[ . 1]" 1
631 1 28 LYS H 1 74 VAL MG1 1.800 . 8.000 6.307 5.922 6.615 . 0 0 "[ . 1]" 1
632 1 30 GLN HE21 1 88 VAL MG1 1.800 . 6.500 5.184 4.691 5.431 . 0 0 "[ . 1]" 1
633 1 34 PHE HA 1 88 VAL MG1 1.800 . 6.500 4.036 2.927 5.512 . 0 0 "[ . 1]" 1
634 1 34 PHE QB 1 74 VAL MG1 1.800 . 7.500 4.261 3.372 5.584 . 0 0 "[ . 1]" 1
635 1 25 LEU MD1 1 34 PHE QD 1.800 . 7.700 3.866 2.093 4.849 . 0 0 "[ . 1]" 1
636 1 34 PHE QD 1 74 VAL MG1 1.800 . 7.700 3.262 2.279 4.178 . 0 0 "[ . 1]" 1
637 1 34 PHE QD 1 88 VAL MG1 1.800 . 6.400 2.670 1.792 3.231 0.008 2 0 "[ . 1]" 1
638 1 25 LEU MD1 1 34 PHE QE 1.800 . 7.700 3.186 2.086 4.118 . 0 0 "[ . 1]" 1
639 1 34 PHE QE 1 74 VAL MG1 1.800 . 8.500 2.324 1.776 3.366 0.024 3 0 "[ . 1]" 1
640 1 34 PHE QE 1 74 VAL MG2 1.800 . 8.500 3.810 2.587 4.479 . 0 0 "[ . 1]" 1
641 1 34 PHE QE 1 88 VAL MG1 1.800 . 7.700 2.333 1.810 3.178 . 0 0 "[ . 1]" 1
642 1 34 PHE HZ 1 74 VAL MG1 1.800 . 6.500 2.892 1.705 3.838 0.095 8 0 "[ . 1]" 1
643 1 34 PHE HZ 1 74 VAL MG2 1.800 . 6.500 3.663 2.400 4.437 . 0 0 "[ . 1]" 1
644 1 34 PHE HZ 1 88 VAL MG1 1.800 . 6.500 3.110 2.328 3.825 . 0 0 "[ . 1]" 1
645 1 62 THR HA 1 99 VAL MG1 1.800 . 6.500 5.016 3.146 5.493 . 0 0 "[ . 1]" 1
646 1 62 THR HB 1 99 VAL MG1 1.800 . 6.500 4.961 3.789 5.397 . 0 0 "[ . 1]" 1
647 1 25 LEU MD1 1 72 ILE MG 1.800 . 5.900 2.653 1.997 4.027 . 0 0 "[ . 1]" 1
648 1 25 LEU MD2 1 72 ILE MG 1.800 . 7.200 2.801 1.713 4.103 0.087 2 0 "[ . 1]" 1
649 1 12 ALA HA 1 74 VAL MG1 1.800 . 6.500 5.392 5.326 5.471 . 0 0 "[ . 1]" 1
650 1 12 ALA MB 1 74 VAL MG1 1.800 . 8.000 3.128 2.874 3.340 . 0 0 "[ . 1]" 1
651 1 13 THR MG 1 74 VAL MG1 1.800 . 9.500 6.382 6.279 6.483 . 0 0 "[ . 1]" 1
652 1 15 ILE MD 1 74 VAL MG1 1.800 . 9.500 6.446 6.391 6.507 . 0 0 "[ . 1]" 1
653 1 25 LEU MD1 1 74 VAL MG1 1.800 . 5.900 2.687 1.658 3.884 0.142 1 0 "[ . 1]" 1
654 1 25 LEU MD2 1 74 VAL MG1 1.800 . 5.900 3.117 1.824 3.926 . 0 0 "[ . 1]" 1
655 1 27 TYR HA 1 74 VAL MG1 1.800 . 6.500 4.684 3.635 5.384 . 0 0 "[ . 1]" 1
656 1 27 TYR QB 1 74 VAL MG1 1.800 . 7.500 3.077 2.634 4.114 . 0 0 "[ . 1]" 1
657 1 74 VAL MG1 1 90 ALA MB 1.800 . 8.000 2.947 2.159 3.966 . 0 0 "[ . 1]" 1
658 1 74 VAL MG1 1 92 ILE MD 1.800 . 5.900 1.669 1.531 1.775 0.269 9 0 "[ . 1]" 1
659 1 12 ALA MB 1 74 VAL MG2 1.800 . 8.000 1.788 1.676 2.038 0.124 3 0 "[ . 1]" 1
660 1 25 LEU MD1 1 74 VAL MG2 1.800 . 5.900 3.023 1.830 3.946 . 0 0 "[ . 1]" 1
661 1 74 VAL MG2 1 88 VAL MG1 1.800 . 8.000 4.925 4.062 5.439 . 0 0 "[ . 1]" 1
662 1 7 LEU QD 1 75 GLU H 1.800 . 7.400 4.555 3.867 5.095 . 0 0 "[ . 1]" 1
663 1 76 PHE QD 1 88 VAL MG1 1.800 . 6.400 3.453 2.562 4.111 . 0 0 "[ . 1]" 1
664 1 76 PHE QE 1 88 VAL MG1 1.800 . 8.500 4.066 2.718 5.022 . 0 0 "[ . 1]" 1
665 1 7 LEU QD 1 77 ASP H 1.800 . 7.400 3.374 1.977 4.234 . 0 0 "[ . 1]" 1
666 1 80 GLN HE21 1 88 VAL MG1 1.800 . 6.500 3.089 2.063 4.257 . 0 0 "[ . 1]" 1
667 1 80 GLN HE22 1 88 VAL MG1 1.800 . 6.500 2.929 2.559 3.399 . 0 0 "[ . 1]" 1
668 1 34 PHE QB 1 88 VAL MG1 1.800 . 7.500 3.868 3.081 4.724 . 0 0 "[ . 1]" 1
669 1 74 VAL MG1 1 91 TYR QD 1.800 . 8.500 5.785 5.622 6.089 . 0 0 "[ . 1]" 1
670 1 7 LEU QD 1 91 TYR QE 1.800 . 7.300 4.326 2.927 4.958 . 0 0 "[ . 1]" 1
671 1 74 VAL MG1 1 91 TYR QE 1.800 . 10.000 7.460 7.362 7.537 . 0 0 "[ . 1]" 1
672 1 74 VAL MG1 1 92 ILE HA 1.800 . 6.500 2.792 2.240 3.366 . 0 0 "[ . 1]" 1
673 1 74 VAL MG2 1 92 ILE HA 1.800 . 6.500 4.179 3.349 4.748 . 0 0 "[ . 1]" 1
674 1 25 LEU MD1 1 92 ILE MG 1.800 . 8.000 2.534 1.655 4.197 0.145 6 0 "[ . 1]" 1
675 1 74 VAL MG1 1 92 ILE MG 1.800 . 5.900 2.655 2.069 3.171 . 0 0 "[ . 1]" 1
676 1 74 VAL MG2 1 92 ILE MG 1.800 . 8.000 3.397 2.906 4.120 . 0 0 "[ . 1]" 1
677 1 7 LEU QD 1 8 HIS H 1.800 . 7.400 3.802 3.401 4.426 . 0 0 "[ . 1]" 1
678 1 25 LEU MD2 1 26 MET H 1.800 . 5.700 3.360 1.974 4.805 . 0 0 "[ . 1]" 1
679 1 25 LEU MD2 1 27 TYR H 1.800 . 6.500 4.591 2.577 5.513 . 0 0 "[ . 1]" 1
680 1 67 GLU H 1 68 ASN HD21 1.800 . 2.900 3.081 2.926 3.179 0.279 8 0 "[ . 1]" 1
681 1 66 LEU H 1 68 ASN HD21 1.800 . 4.200 3.985 2.700 4.298 0.098 6 0 "[ . 1]" 1
682 1 67 GLU QB 1 68 ASN HD21 1.800 . 6.000 3.469 2.803 4.135 . 0 0 "[ . 1]" 1
683 1 68 ASN HD21 1 69 ALA MB 1.800 . 6.500 4.222 3.679 4.889 . 0 0 "[ . 1]" 1
684 1 68 ASN HD22 1 69 ALA MB 1.800 . 6.500 3.832 3.271 4.781 . 0 0 "[ . 1]" 1
685 1 72 ILE HB 1 74 VAL MG1 1.800 . 6.500 4.945 4.259 5.307 . 0 0 "[ . 1]" 1
686 1 72 ILE MG 1 74 VAL MG2 1.800 . 7.200 2.178 1.708 2.707 0.092 6 0 "[ . 1]" 1
687 1 74 VAL MG2 1 75 GLU H 1.800 . 6.500 4.468 4.363 4.527 . 0 0 "[ . 1]" 1
688 1 74 VAL MG1 1 76 PHE HA 1.800 . 6.500 5.279 4.884 5.417 . 0 0 "[ . 1]" 1
689 1 74 VAL MG1 1 76 PHE QD 1.800 . 6.400 3.028 2.140 3.697 . 0 0 "[ . 1]" 1
690 1 74 VAL MG2 1 76 PHE QD 1.800 . 6.400 3.882 3.099 4.893 . 0 0 "[ . 1]" 1
691 1 74 VAL MG1 1 76 PHE QE 1.800 . 6.400 3.588 1.683 4.634 0.117 1 0 "[ . 1]" 1
692 1 74 VAL MG2 1 76 PHE QE 1.800 . 7.700 3.290 1.916 4.194 . 0 0 "[ . 1]" 1
693 1 74 VAL MG1 1 76 PHE H 1.800 . 6.500 4.678 4.186 5.242 . 0 0 "[ . 1]" 1
694 1 98 MET H 1 99 VAL MG1 1.800 . 6.500 5.301 4.906 5.517 . 0 0 "[ . 1]" 1
695 1 98 MET H 1 99 VAL MG2 1.800 . 6.500 4.599 3.647 5.607 . 0 0 "[ . 1]" 1
696 1 7 LEU H 1 7 LEU QD 1.800 . 5.300 3.493 3.023 3.926 . 0 0 "[ . 1]" 1
697 1 25 LEU HA 1 25 LEU MD1 1.800 . 6.500 3.322 1.911 4.046 . 0 0 "[ . 1]" 1
698 1 25 LEU HA 1 25 LEU MD2 1.800 . 4.400 2.941 1.784 3.660 0.016 10 0 "[ . 1]" 1
699 1 25 LEU H 1 25 LEU MD1 1.800 . 8.000 3.963 1.995 4.878 . 0 0 "[ . 1]" 1
700 1 25 LEU H 1 25 LEU MD2 1.800 . 5.700 3.747 1.899 4.671 . 0 0 "[ . 1]" 1
701 1 74 VAL HA 1 74 VAL MG1 1.800 . 4.400 2.049 1.890 2.188 . 0 0 "[ . 1]" 1
702 1 74 VAL HA 1 74 VAL MG2 1.800 . 5.700 2.872 2.602 3.072 . 0 0 "[ . 1]" 1
703 1 74 VAL H 1 74 VAL MG2 1.800 . 6.500 1.759 1.686 1.886 0.114 1 0 "[ . 1]" 1
704 1 80 GLN HE22 1 88 VAL HB 1.800 . 5.000 4.920 4.647 5.052 0.052 5 0 "[ . 1]" 1
705 1 88 VAL HA 1 88 VAL MG1 1.800 . 4.400 2.248 2.070 2.427 . 0 0 "[ . 1]" 1
706 1 88 VAL H 1 88 VAL MG1 1.800 . 5.700 3.800 3.742 3.912 . 0 0 "[ . 1]" 1
707 1 99 VAL H 1 99 VAL MG1 1.800 . 5.700 3.771 3.733 3.827 . 0 0 "[ . 1]" 1
708 1 99 VAL H 1 99 VAL MG2 1.800 . 5.700 2.818 2.003 3.635 . 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 16
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 4.208
_Distance_constraint_stats_list.Viol_max 0.095
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0383
_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 8 HIS 0.248 0.095 8 0 "[ . 1]"
1 10 GLU 0.043 0.023 1 0 "[ . 1]"
1 13 THR 0.000 0.000 . 0 "[ . 1]"
1 16 LYS 0.000 0.000 . 0 "[ . 1]"
1 23 VAL 0.116 0.078 7 0 "[ . 1]"
1 24 LYS 0.000 0.000 . 0 "[ . 1]"
1 26 MET 0.000 0.000 . 0 "[ . 1]"
1 34 PHE 0.116 0.078 7 0 "[ . 1]"
1 71 LYS 0.013 0.013 5 0 "[ . 1]"
1 73 GLU 0.000 0.000 . 0 "[ . 1]"
1 74 VAL 0.043 0.023 1 0 "[ . 1]"
1 75 GLU 0.000 0.000 . 0 "[ . 1]"
1 76 PHE 0.248 0.095 8 0 "[ . 1]"
1 91 TYR 0.000 0.000 . 0 "[ . 1]"
1 93 TYR 0.000 0.000 . 0 "[ . 1]"
1 95 ASP 0.013 0.013 5 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 16 LYS O 1 24 LYS H 1.800 . 4.100 2.430 2.027 3.393 . 0 0 "[ . 1]" 2
2 1 16 LYS O 1 24 LYS N 2.700 2.700 6.000 3.283 2.871 4.368 . 0 0 "[ . 1]" 2
3 1 13 THR O 1 26 MET H 1.800 . 4.100 2.756 2.275 3.739 . 0 0 "[ . 1]" 2
4 1 13 THR O 1 26 MET N 2.700 2.700 6.000 3.678 3.225 4.649 . 0 0 "[ . 1]" 2
5 1 23 VAL O 1 34 PHE H 1.800 . 4.100 2.083 1.877 2.427 . 0 0 "[ . 1]" 2
6 1 23 VAL O 1 34 PHE N 2.700 2.700 6.000 2.870 2.622 3.398 0.078 7 0 "[ . 1]" 2
7 1 10 GLU O 1 74 VAL H 1.800 . 4.100 2.067 1.864 2.454 . 0 0 "[ . 1]" 2
8 1 10 GLU O 1 74 VAL N 2.700 2.700 6.000 2.831 2.677 3.094 0.023 1 0 "[ . 1]" 2
9 1 8 HIS O 1 76 PHE H 1.800 . 4.100 3.467 2.163 4.195 0.095 8 0 "[ . 1]" 2
10 1 8 HIS O 1 76 PHE N 2.700 2.700 6.000 4.023 3.083 4.573 . 0 0 "[ . 1]" 2
11 1 75 GLU O 1 91 TYR H 1.800 . 4.100 2.499 1.993 3.060 . 0 0 "[ . 1]" 2
12 1 75 GLU O 1 91 TYR N 2.700 2.700 6.000 3.362 2.919 3.863 . 0 0 "[ . 1]" 2
13 1 73 GLU O 1 93 TYR H 1.800 . 4.100 3.106 2.531 3.845 . 0 0 "[ . 1]" 2
14 1 73 GLU O 1 93 TYR N 2.700 2.700 6.000 3.936 3.513 4.821 . 0 0 "[ . 1]" 2
15 1 71 LYS O 1 95 ASP H 1.800 . 4.100 2.970 2.012 3.932 . 0 0 "[ . 1]" 2
16 1 71 LYS O 1 95 ASP N 2.700 2.700 6.000 3.565 2.687 4.545 0.013 5 0 "[ . 1]" 2
stop_
save_
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