NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
376429 |
1fjd   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fjd
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 956
_Distance_constraint_stats_list.Viol_count 1997
_Distance_constraint_stats_list.Viol_total 3808.438
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0473
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0100
_Distance_constraint_stats_list.Viol_average_violations_only 0.0954
_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 8 GLY 0.617 0.396 4 0 "[ . 1 . 2]"
1 9 ASN 1.766 0.244 14 0 "[ . 1 . 2]"
1 10 ALA 4.088 0.396 4 0 "[ . 1 . 2]"
1 11 VAL 1.467 0.231 18 0 "[ . 1 . 2]"
1 12 LYS 15.785 0.495 7 0 "[ . 1 . 2]"
1 13 VAL 5.285 0.419 4 0 "[ . 1 . 2]"
1 14 ARG 0.098 0.050 8 0 "[ . 1 . 2]"
1 15 HIS 1.578 0.235 20 0 "[ . 1 . 2]"
1 16 ILE 3.127 0.292 20 0 "[ . 1 . 2]"
1 17 LEU 9.260 0.425 17 0 "[ . 1 . 2]"
1 18 CYS 1.373 0.209 8 0 "[ . 1 . 2]"
1 19 GLU 0.773 0.161 15 0 "[ . 1 . 2]"
1 20 LYS 0.663 0.161 15 0 "[ . 1 . 2]"
1 21 HIS 1.851 0.183 18 0 "[ . 1 . 2]"
1 22 GLY 1.232 0.183 18 0 "[ . 1 . 2]"
1 23 LYS 4.134 0.261 13 0 "[ . 1 . 2]"
1 24 ILE 2.571 0.140 14 0 "[ . 1 . 2]"
1 25 MET 9.403 0.341 19 0 "[ . 1 . 2]"
1 26 GLU 7.050 0.366 13 0 "[ . 1 . 2]"
1 27 ALA 10.160 0.341 19 0 "[ . 1 . 2]"
1 28 MET 7.770 0.338 19 0 "[ . 1 . 2]"
1 29 GLU 0.327 0.091 14 0 "[ . 1 . 2]"
1 30 LYS 1.224 0.141 18 0 "[ . 1 . 2]"
1 31 LEU 5.015 0.248 2 0 "[ . 1 . 2]"
1 32 LYS 2.217 0.248 2 0 "[ . 1 . 2]"
1 33 SER 1.920 0.211 1 0 "[ . 1 . 2]"
1 34 GLY 0.729 0.211 1 0 "[ . 1 . 2]"
1 35 MET 5.437 0.349 19 0 "[ . 1 . 2]"
1 36 ARG 1.738 0.366 9 0 "[ . 1 . 2]"
1 37 PHE 1.811 0.169 17 0 "[ . 1 . 2]"
1 38 ASN 4.184 0.226 9 0 "[ . 1 . 2]"
1 39 GLU 0.207 0.065 18 0 "[ . 1 . 2]"
1 40 VAL 19.956 0.540 18 1 "[ . 1 . + 2]"
1 41 ALA 7.269 0.307 2 0 "[ . 1 . 2]"
1 42 ALA 0.181 0.065 18 0 "[ . 1 . 2]"
1 43 GLN 21.811 0.967 18 9 "[* **** *1 *. +*2]"
1 44 TYR 10.692 0.824 18 9 "[* **-* *1 *. +*2]"
1 45 SER 3.833 0.324 5 0 "[ . 1 . 2]"
1 46 GLU 3.156 0.334 10 0 "[ . 1 . 2]"
1 47 ASP 6.066 0.347 6 0 "[ . 1 . 2]"
1 48 LYS 0.008 0.008 1 0 "[ . 1 . 2]"
1 49 ALA 1.259 0.324 5 0 "[ . 1 . 2]"
1 51 GLN 1.700 0.292 20 0 "[ . 1 . 2]"
1 52 GLY 3.140 0.220 5 0 "[ . 1 . 2]"
1 53 GLY 1.598 0.235 20 0 "[ . 1 . 2]"
1 54 ASP 0.221 0.100 12 0 "[ . 1 . 2]"
1 55 LEU 1.951 0.200 4 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TRP 9.191 0.903 12 4 "[ - *. * 1 + . 2]"
1 58 MET 1.359 0.153 15 0 "[ . 1 . 2]"
1 59 THR 7.788 0.934 20 4 "[ . *1* - +]"
1 60 ARG 3.289 0.331 16 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 SER 4.308 0.934 20 4 "[ . *1* - +]"
1 63 MET 0.176 0.027 8 0 "[ . 1 . 2]"
1 64 VAL 2.064 0.513 3 2 "[ + . - 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PRO 0.643 0.507 8 1 "[ . + 1 . 2]"
1 67 PHE 2.575 0.513 3 1 "[ + . 1 . 2]"
1 68 GLN 2.808 0.845 11 1 "[ . 1+ . 2]"
1 69 GLU 0.110 0.073 12 0 "[ . 1 . 2]"
1 70 ALA 1.176 0.071 10 0 "[ . 1 . 2]"
1 71 ALA 1.588 0.080 12 0 "[ . 1 . 2]"
1 72 PHE 2.482 0.845 11 1 "[ . 1+ . 2]"
1 73 ALA 1.000 0.078 6 0 "[ . 1 . 2]"
1 74 LEU 1.327 0.091 18 0 "[ . 1 . 2]"
1 75 PRO 0.523 0.120 18 0 "[ . 1 . 2]"
1 76 VAL 5.216 0.453 14 0 "[ . 1 . 2]"
1 77 SER 2.293 0.378 15 0 "[ . 1 . 2]"
1 78 GLY 2.111 0.378 15 0 "[ . 1 . 2]"
1 79 MET 4.235 0.336 4 0 "[ . 1 . 2]"
1 80 ASP 0.114 0.043 2 0 "[ . 1 . 2]"
1 81 LYS 2.021 0.186 19 0 "[ . 1 . 2]"
1 82 PRO 0.200 0.083 11 0 "[ . 1 . 2]"
1 83 VAL 2.732 0.170 11 0 "[ . 1 . 2]"
1 84 PHE 2.756 0.170 11 0 "[ . 1 . 2]"
1 85 THR 4.683 0.133 18 0 "[ . 1 . 2]"
1 86 ASP 2.023 0.113 2 0 "[ . 1 . 2]"
1 87 PRO 6.039 0.434 15 0 "[ . 1 . 2]"
1 88 PRO 6.192 0.434 15 0 "[ . 1 . 2]"
1 89 VAL 4.255 0.214 7 0 "[ . 1 . 2]"
1 90 LYS 1.319 0.479 19 0 "[ . 1 . 2]"
1 91 THR 1.288 0.479 19 0 "[ . 1 . 2]"
1 92 LYS 1.427 0.616 14 2 "[ . 1 +- 2]"
1 93 PHE 1.619 0.616 14 2 "[ . 1 +- 2]"
1 94 GLY 0.606 0.425 17 0 "[ . 1 . 2]"
1 95 TYR 1.127 0.074 16 0 "[ . 1 . 2]"
1 96 HIS 1.527 0.214 7 0 "[ . 1 . 2]"
1 97 ILE 8.488 0.362 4 0 "[ . 1 . 2]"
1 98 ILE 8.669 0.362 4 0 "[ . 1 . 2]"
1 99 MET 1.686 0.298 19 0 "[ . 1 . 2]"
1 100 VAL 0.617 0.171 16 0 "[ . 1 . 2]"
1 101 GLU 3.730 0.274 16 0 "[ . 1 . 2]"
1 102 GLY 15.129 0.531 14 2 "[ . 1 - +. 2]"
1 103 ARG 4.196 0.531 14 2 "[ . 1 - +. 2]"
1 104 LYS 5.783 0.903 12 4 "[ - *. * 1 + . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 MET ME 1 86 ASP HB3 4.000 . 5.000 4.100 3.253 5.043 0.043 6 0 "[ . 1 . 2]" 1
2 1 16 ILE MD 1 16 ILE MG 2.500 . 3.000 1.926 1.774 2.317 0.026 2 0 "[ . 1 . 2]" 1
3 1 17 LEU MD1 1 17 LEU MD2 2.500 . 3.000 1.944 1.831 2.076 . 0 0 "[ . 1 . 2]" 1
4 1 85 THR HA 1 86 ASP H 2.500 . 3.000 2.714 2.227 2.978 . 0 0 "[ . 1 . 2]" 1
5 1 11 VAL QG 1 13 VAL QG 2.500 . 3.000 2.415 1.569 3.000 0.231 18 0 "[ . 1 . 2]" 1
6 1 16 ILE MD 1 40 VAL MG2 2.500 . 3.000 2.841 2.378 3.135 0.135 17 0 "[ . 1 . 2]" 1
7 1 85 THR MG 1 89 VAL MG1 2.500 . 3.000 2.920 2.654 3.133 0.133 18 0 "[ . 1 . 2]" 1
8 1 31 LEU MD1 1 31 LEU MD2 2.500 . 3.000 2.012 1.923 2.063 . 0 0 "[ . 1 . 2]" 1
9 1 64 VAL QG 1 67 PHE HB3 2.500 . 3.000 2.623 1.797 3.513 0.513 3 1 "[ + . 1 . 2]" 1
10 1 83 VAL HA 1 84 PHE H 2.500 . 3.000 2.734 2.444 3.013 0.013 3 0 "[ . 1 . 2]" 1
11 1 11 VAL QG 1 100 VAL QG 2.500 . 3.000 1.887 1.629 2.237 0.171 16 0 "[ . 1 . 2]" 1
12 1 75 PRO HA 1 76 VAL H 2.500 . 3.000 2.422 2.287 2.828 . 0 0 "[ . 1 . 2]" 1
13 1 98 ILE HB 1 98 ILE MD 2.500 . 3.000 2.291 2.089 2.483 . 0 0 "[ . 1 . 2]" 1
14 1 35 MET HA 1 36 ARG H 2.500 . 3.000 2.876 2.277 3.038 0.038 6 0 "[ . 1 . 2]" 1
15 1 76 VAL HA 1 76 VAL QG 2.500 . 3.000 2.097 1.873 2.419 . 0 0 "[ . 1 . 2]" 1
16 1 55 LEU HA 1 55 LEU QD 2.500 . 3.000 2.425 1.779 2.841 0.021 4 0 "[ . 1 . 2]" 1
17 1 24 ILE H 1 24 ILE MG 2.500 . 3.000 2.411 1.951 3.060 0.060 14 0 "[ . 1 . 2]" 1
18 1 89 VAL HA 1 90 LYS H 2.500 . 3.000 2.310 2.280 2.330 . 0 0 "[ . 1 . 2]" 1
19 1 26 GLU HA 1 26 GLU HB3 2.500 . 3.000 2.934 2.839 3.029 0.029 14 0 "[ . 1 . 2]" 1
20 1 70 ALA H 1 70 ALA MB 2.500 . 3.000 2.024 1.963 2.161 . 0 0 "[ . 1 . 2]" 1
21 1 42 ALA H 1 42 ALA MB 2.500 . 3.000 2.011 1.907 2.141 . 0 0 "[ . 1 . 2]" 1
22 1 104 LYS HA 1 104 LYS QB 2.500 . 3.000 2.373 2.178 2.550 . 0 0 "[ . 1 . 2]" 1
23 1 41 ALA H 1 41 ALA MB 2.500 . 3.000 2.093 1.967 2.175 . 0 0 "[ . 1 . 2]" 1
24 1 55 LEU MD1 1 55 LEU MD2 2.500 . 3.000 1.971 1.890 2.069 . 0 0 "[ . 1 . 2]" 1
25 1 11 VAL QG 1 63 MET ME 2.500 . 3.000 2.742 2.297 2.982 . 0 0 "[ . 1 . 2]" 1
26 1 10 ALA HA 1 11 VAL H 2.500 . 3.000 2.279 2.200 2.363 . 0 0 "[ . 1 . 2]" 1
27 1 69 GLU HA 1 69 GLU QB 2.500 . 3.000 2.471 2.185 2.547 . 0 0 "[ . 1 . 2]" 1
28 1 66 PRO HA 1 66 PRO HB2 2.500 . 3.000 2.879 2.876 2.882 . 0 0 "[ . 1 . 2]" 1
29 1 90 LYS HA 1 91 THR H 2.500 . 3.000 2.259 2.202 2.314 . 0 0 "[ . 1 . 2]" 1
30 1 58 MET HA 1 59 THR H 3.000 . 3.000 2.246 2.203 2.305 . 0 0 "[ . 1 . 2]" 1
31 1 40 VAL H 1 40 VAL MG1 3.000 . 3.000 2.171 1.734 2.717 0.066 9 0 "[ . 1 . 2]" 1
32 1 64 VAL HA 1 64 VAL QG 3.000 . 3.500 2.098 1.967 2.469 . 0 0 "[ . 1 . 2]" 1
33 1 11 VAL HA 1 12 LYS H 3.000 . 3.000 2.451 2.396 2.479 . 0 0 "[ . 1 . 2]" 1
34 1 11 VAL H 1 11 VAL QG 3.000 . 3.500 2.118 1.745 2.264 0.055 12 0 "[ . 1 . 2]" 1
35 1 56 GLY HA3 1 57 TRP H 3.000 . 3.500 2.643 2.355 2.944 . 0 0 "[ . 1 . 2]" 1
36 1 85 THR HA 1 85 THR MG 3.000 . 3.500 3.141 2.192 3.199 . 0 0 "[ . 1 . 2]" 1
37 1 27 ALA H 1 27 ALA MB 3.000 . 3.500 2.079 1.944 2.201 . 0 0 "[ . 1 . 2]" 1
38 1 28 MET ME 1 97 ILE MD 3.000 . 3.500 3.047 2.507 3.501 0.001 11 0 "[ . 1 . 2]" 1
39 1 24 ILE HA 1 24 ILE MD 3.000 . 3.500 2.089 1.844 2.498 . 0 0 "[ . 1 . 2]" 1
40 1 12 LYS HA 1 13 VAL H 3.000 . 3.000 2.303 2.216 2.352 . 0 0 "[ . 1 . 2]" 1
41 1 56 GLY HA2 1 57 TRP H 3.000 . 3.500 2.579 2.336 2.901 . 0 0 "[ . 1 . 2]" 1
42 1 74 LEU QD 1 85 THR MG 3.000 . 3.500 1.823 1.757 2.092 0.043 18 0 "[ . 1 . 2]" 1
43 1 71 ALA H 1 71 ALA MB 3.000 . 3.000 2.022 1.915 2.192 . 0 0 "[ . 1 . 2]" 1
44 1 76 VAL HA 1 77 SER H 3.000 . 3.000 2.514 2.204 2.839 . 0 0 "[ . 1 . 2]" 1
45 1 31 LEU QD 1 37 PHE HA 3.000 . 3.500 2.706 1.758 3.458 0.042 4 0 "[ . 1 . 2]" 1
46 1 40 VAL HA 1 40 VAL QG 3.000 . 3.500 2.251 2.011 2.610 . 0 0 "[ . 1 . 2]" 1
47 1 11 VAL QG 1 71 ALA MB 3.000 . 3.500 3.223 2.405 3.432 . 0 0 "[ . 1 . 2]" 1
48 1 95 TYR HA 1 96 HIS H 3.000 . 3.000 2.253 2.214 2.344 . 0 0 "[ . 1 . 2]" 1
49 1 17 LEU HA 1 18 CYS H 3.000 . 3.000 2.274 2.218 2.337 . 0 0 "[ . 1 . 2]" 1
50 1 16 ILE MD 1 97 ILE HB 3.000 . 3.500 3.282 2.682 3.593 0.093 14 0 "[ . 1 . 2]" 1
51 1 85 THR HA 1 85 THR HB 3.000 . 3.500 2.506 2.402 2.656 . 0 0 "[ . 1 . 2]" 1
52 1 62 SER HA 1 62 SER HB2 3.000 . 3.500 2.796 2.409 3.039 . 0 0 "[ . 1 . 2]" 1
53 1 76 VAL QG 1 102 GLY H 3.000 . 3.000 2.089 1.624 2.828 0.176 2 0 "[ . 1 . 2]" 1
54 1 43 GLN HA 1 43 GLN HB2 3.000 . 3.500 2.837 2.357 2.974 . 0 0 "[ . 1 . 2]" 1
55 1 16 ILE MD 1 31 LEU QD 3.000 . 3.500 2.218 1.628 2.768 0.172 19 0 "[ . 1 . 2]" 1
56 1 31 LEU HA 1 31 LEU QD 3.000 . 3.500 2.452 1.830 2.849 . 0 0 "[ . 1 . 2]" 1
57 1 83 VAL HA 1 83 VAL QG 3.000 . 3.500 2.075 1.881 2.392 . 0 0 "[ . 1 . 2]" 1
58 1 73 ALA H 1 73 ALA MB 3.000 . 3.500 2.150 1.955 2.654 . 0 0 "[ . 1 . 2]" 1
59 1 31 LEU QD 1 40 VAL QG 3.000 . 3.500 1.849 1.720 2.196 0.080 8 0 "[ . 1 . 2]" 1
60 1 74 LEU HA 1 75 PRO HD3 3.000 . 3.500 2.056 1.922 2.384 . 0 0 "[ . 1 . 2]" 1
61 1 97 ILE MD 1 97 ILE MG 3.000 . 3.500 1.893 1.789 2.073 0.011 5 0 "[ . 1 . 2]" 1
62 1 80 ASP HA 1 80 ASP HB2 3.000 . 3.500 2.508 2.371 2.629 . 0 0 "[ . 1 . 2]" 1
63 1 30 LYS QB 1 40 VAL MG1 3.000 . 3.500 2.013 1.770 2.559 0.030 6 0 "[ . 1 . 2]" 1
64 1 74 LEU HA 1 74 LEU QD 3.000 . 3.500 2.248 1.790 3.383 0.010 17 0 "[ . 1 . 2]" 1
65 1 39 GLU HA 1 39 GLU QG 3.000 . 3.500 2.790 2.157 3.445 . 0 0 "[ . 1 . 2]" 1
66 1 70 ALA MB 1 71 ALA H 3.000 . 3.500 2.032 1.820 2.771 . 0 0 "[ . 1 . 2]" 1
67 1 74 LEU QD 1 75 PRO HD2 3.000 . 3.500 2.072 1.800 2.896 . 0 0 "[ . 1 . 2]" 1
68 1 98 ILE HG12 1 98 ILE MG 3.000 . 3.500 2.361 2.190 2.474 . 0 0 "[ . 1 . 2]" 1
69 1 28 MET ME 1 88 PRO HG3 3.000 . 3.500 1.959 1.788 2.499 0.012 3 0 "[ . 1 . 2]" 1
70 1 21 HIS HA 1 24 ILE MG 3.000 . 3.500 2.640 2.089 3.299 . 0 0 "[ . 1 . 2]" 1
71 1 98 ILE HA 1 99 MET H 3.000 . 3.000 2.209 2.152 2.299 . 0 0 "[ . 1 . 2]" 1
72 1 64 VAL HA 1 64 VAL HB 3.000 . 3.500 2.795 2.334 3.032 . 0 0 "[ . 1 . 2]" 1
73 1 98 ILE HA 1 98 ILE MG 3.000 . 3.500 2.486 2.092 2.631 . 0 0 "[ . 1 . 2]" 1
74 1 14 ARG HA 1 15 HIS H 3.000 . 3.000 2.388 2.235 2.489 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL HA 1 11 VAL HB 3.000 . 3.500 2.409 2.263 2.583 . 0 0 "[ . 1 . 2]" 1
76 1 70 ALA MB 1 98 ILE MD 3.000 . 3.500 2.955 1.909 3.289 . 0 0 "[ . 1 . 2]" 1
77 1 31 LEU QD 1 40 VAL MG1 3.000 . 3.500 2.886 2.369 3.326 . 0 0 "[ . 1 . 2]" 1
78 1 30 LYS HA 1 30 LYS QD 3.000 . 3.500 3.171 2.242 3.637 0.137 18 0 "[ . 1 . 2]" 1
79 1 11 VAL HA 1 11 VAL QG 3.000 . 3.500 2.392 2.116 2.648 . 0 0 "[ . 1 . 2]" 1
80 1 36 ARG HA 1 37 PHE H 3.000 . 3.000 2.253 2.191 2.346 . 0 0 "[ . 1 . 2]" 1
81 1 89 VAL MG2 1 91 THR MG 3.000 . 3.500 2.484 1.967 3.441 . 0 0 "[ . 1 . 2]" 1
82 1 54 ASP HA 1 55 LEU H 3.000 . 3.000 2.369 2.220 2.526 . 0 0 "[ . 1 . 2]" 1
83 1 74 LEU HB3 1 74 LEU QD 3.000 . 3.500 2.062 1.909 2.200 . 0 0 "[ . 1 . 2]" 1
84 1 97 ILE HA 1 98 ILE H 3.000 . 3.500 2.224 2.179 2.275 . 0 0 "[ . 1 . 2]" 1
85 1 103 ARG HA 1 104 LYS H 3.000 . 3.000 2.622 2.280 3.204 0.204 10 0 "[ . 1 . 2]" 1
86 1 87 PRO HA 1 88 PRO HD3 3.000 . 3.500 3.801 3.732 3.934 0.434 15 0 "[ . 1 . 2]" 1
87 1 16 ILE HA 1 16 ILE MG 3.000 . 3.500 2.773 2.427 3.119 . 0 0 "[ . 1 . 2]" 1
88 1 98 ILE MG 1 100 VAL QG 3.000 . 3.500 2.570 1.880 3.331 . 0 0 "[ . 1 . 2]" 1
89 1 89 VAL MG1 1 98 ILE MD 3.000 . 3.500 2.847 2.057 3.152 . 0 0 "[ . 1 . 2]" 1
90 1 59 THR HA 1 59 THR MG 3.000 . 3.500 2.372 1.963 3.173 . 0 0 "[ . 1 . 2]" 1
91 1 58 MET ME 1 58 MET QG 3.000 . 3.500 2.070 1.915 2.171 . 0 0 "[ . 1 . 2]" 1
92 1 13 VAL QG 1 55 LEU QD 3.000 . 3.500 2.728 1.850 3.229 . 0 0 "[ . 1 . 2]" 1
93 1 92 LYS HA 1 92 LYS HB2 3.000 . 3.500 2.689 2.437 3.036 . 0 0 "[ . 1 . 2]" 1
94 1 89 VAL HA 1 89 VAL MG1 3.000 . 3.500 2.448 2.313 2.538 . 0 0 "[ . 1 . 2]" 1
95 1 45 SER HA 1 46 GLU H 3.000 . 3.500 2.964 2.287 3.435 . 0 0 "[ . 1 . 2]" 1
96 1 98 ILE MG 1 99 MET H 3.000 . 3.000 2.712 2.047 3.062 0.062 7 0 "[ . 1 . 2]" 1
97 1 76 VAL H 1 76 VAL QG 3.000 . 3.000 2.201 1.715 2.830 0.085 19 0 "[ . 1 . 2]" 1
98 1 92 LYS HA 1 92 LYS HB3 3.000 . 3.500 2.807 2.414 3.039 . 0 0 "[ . 1 . 2]" 1
99 1 24 ILE MG 1 88 PRO HG3 3.000 . 3.500 3.382 3.022 3.524 0.024 6 0 "[ . 1 . 2]" 1
100 1 62 SER HA 1 62 SER HB3 3.000 . 3.500 2.829 2.335 3.036 . 0 0 "[ . 1 . 2]" 1
101 1 17 LEU QD 1 18 CYS H 3.000 . 3.500 2.393 1.591 3.507 0.209 8 0 "[ . 1 . 2]" 1
102 1 31 LEU QD 1 97 ILE MD 3.000 . 3.500 3.005 2.388 3.271 . 0 0 "[ . 1 . 2]" 1
103 1 75 PRO HA 1 75 PRO HB3 3.000 . 3.500 2.266 2.260 2.276 . 0 0 "[ . 1 . 2]" 1
104 1 11 VAL HA 1 103 ARG HA 3.000 . 3.500 1.965 1.770 2.431 0.030 3 0 "[ . 1 . 2]" 1
105 1 46 GLU HA 1 46 GLU QG 3.000 . 3.500 2.553 1.911 3.500 . 0 0 "[ . 1 . 2]" 1
106 1 13 VAL QG 1 98 ILE MG 3.000 . 3.500 2.220 1.568 3.341 0.232 13 0 "[ . 1 . 2]" 1
107 1 68 GLN HA 1 68 GLN HG3 3.000 . 3.500 3.215 2.463 3.628 0.128 1 0 "[ . 1 . 2]" 1
108 1 59 THR HA 1 60 ARG H 3.000 . 3.000 2.270 2.197 2.320 . 0 0 "[ . 1 . 2]" 1
109 1 40 VAL HA 1 40 VAL MG1 3.000 . 3.500 2.326 2.034 3.136 . 0 0 "[ . 1 . 2]" 1
110 1 35 MET HA 1 35 MET HG3 4.000 . 5.000 2.874 1.973 4.264 . 0 0 "[ . 1 . 2]" 1
111 1 97 ILE HB 1 97 ILE MD 3.000 . 3.500 2.389 2.248 2.500 . 0 0 "[ . 1 . 2]" 1
112 1 32 LYS HA 1 32 LYS HB2 3.000 . 3.500 2.759 2.268 3.011 . 0 0 "[ . 1 . 2]" 1
113 1 40 VAL HA 1 40 VAL MG2 3.000 . 3.500 3.162 2.792 3.204 . 0 0 "[ . 1 . 2]" 1
114 1 70 ALA MB 1 89 VAL MG2 3.000 . 3.500 3.430 2.925 3.570 0.070 12 0 "[ . 1 . 2]" 1
115 1 39 GLU HA 1 42 ALA MB 3.000 . 3.500 2.202 1.843 2.449 . 0 0 "[ . 1 . 2]" 1
116 1 66 PRO HA 1 69 GLU QB 3.000 . 3.500 2.239 1.841 3.491 . 0 0 "[ . 1 . 2]" 1
117 1 96 HIS HA 1 97 ILE H 3.000 . 3.000 2.289 2.198 2.343 . 0 0 "[ . 1 . 2]" 1
118 1 10 ALA MB 1 11 VAL H 3.000 . 3.500 3.043 2.869 3.491 . 0 0 "[ . 1 . 2]" 1
119 1 48 LYS QG 1 55 LEU QD 3.000 . 3.500 3.163 2.021 3.449 . 0 0 "[ . 1 . 2]" 1
120 1 74 LEU HA 1 75 PRO HD2 3.000 . 3.500 2.505 1.946 2.712 . 0 0 "[ . 1 . 2]" 1
121 1 74 LEU QD 1 75 PRO HD3 3.000 . 3.500 2.663 2.061 3.528 0.028 10 0 "[ . 1 . 2]" 1
122 1 24 ILE HG12 1 24 ILE MG 3.000 . 3.500 2.417 2.146 3.185 . 0 0 "[ . 1 . 2]" 1
123 1 10 ALA HA 1 59 THR HA 3.000 . 3.500 2.605 1.958 3.067 . 0 0 "[ . 1 . 2]" 1
124 1 32 LYS HA 1 32 LYS HG3 3.000 . 3.500 3.246 2.574 3.569 0.069 16 0 "[ . 1 . 2]" 1
125 1 75 PRO HD2 1 83 VAL QG 3.000 . 3.500 2.262 1.680 3.453 0.120 18 0 "[ . 1 . 2]" 1
126 1 41 ALA MB 1 42 ALA H 3.000 . 3.500 2.556 2.305 2.713 . 0 0 "[ . 1 . 2]" 1
127 1 64 VAL H 1 64 VAL QG 3.000 . 3.500 2.232 1.842 2.483 . 0 0 "[ . 1 . 2]" 1
128 1 27 ALA MB 1 28 MET H 3.000 . 3.500 2.648 2.529 2.754 . 0 0 "[ . 1 . 2]" 1
129 1 49 ALA H 1 49 ALA MB 3.000 . 3.000 2.646 2.045 2.943 . 0 0 "[ . 1 . 2]" 1
130 1 75 PRO HD3 1 75 PRO HG2 3.000 . 3.500 2.891 2.858 2.952 . 0 0 "[ . 1 . 2]" 1
131 1 30 LYS QB 1 40 VAL MG2 3.000 . 3.500 3.198 2.412 3.641 0.141 18 0 "[ . 1 . 2]" 1
132 1 89 VAL H 1 89 VAL MG1 3.000 . 3.500 2.171 2.064 2.408 . 0 0 "[ . 1 . 2]" 1
133 1 26 GLU HA 1 26 GLU HB2 3.000 . 3.500 2.789 2.561 2.896 . 0 0 "[ . 1 . 2]" 1
134 1 17 LEU HA 1 17 LEU QD 3.000 . 3.500 2.146 1.699 2.679 0.101 12 0 "[ . 1 . 2]" 1
135 1 26 GLU H 1 26 GLU HA 3.000 . 3.500 2.851 2.814 2.905 . 0 0 "[ . 1 . 2]" 1
136 1 24 ILE HB 1 24 ILE MD 3.000 . 3.500 2.358 2.030 3.183 . 0 0 "[ . 1 . 2]" 1
137 1 44 TYR HA 1 44 TYR HB3 3.000 . 3.500 2.549 2.492 2.610 . 0 0 "[ . 1 . 2]" 1
138 1 28 MET ME 1 88 PRO HD3 3.000 . 3.500 1.960 1.791 2.334 0.009 12 0 "[ . 1 . 2]" 1
139 1 66 PRO HB3 1 91 THR MG 4.000 . 5.000 4.236 2.502 5.029 0.029 15 0 "[ . 1 . 2]" 1
140 1 41 ALA MB 1 52 GLY QA 4.000 . 5.000 3.173 1.683 5.013 0.117 17 0 "[ . 1 . 2]" 1
141 1 94 GLY HA2 1 95 TYR H . . 3.500 2.984 2.669 3.423 . 0 0 "[ . 1 . 2]" 1
142 1 84 PHE HA 1 85 THR H . . 3.500 3.536 3.455 3.582 0.082 2 0 "[ . 1 . 2]" 1
143 1 16 ILE MD 1 40 VAL HB 4.000 . 5.000 3.662 2.534 5.053 0.053 9 0 "[ . 1 . 2]" 1
144 1 38 ASN HA 1 41 ALA MB 4.000 . 5.000 2.020 1.746 2.453 0.054 6 0 "[ . 1 . 2]" 1
145 1 67 PHE HB3 1 91 THR MG 4.000 . 5.000 4.675 4.133 5.030 0.030 12 0 "[ . 1 . 2]" 1
146 1 27 ALA HA 1 40 VAL MG2 4.000 . 5.000 3.773 2.114 4.533 . 0 0 "[ . 1 . 2]" 1
147 1 71 ALA MB 1 98 ILE MG 4.000 . 5.000 1.956 1.775 2.670 0.025 12 0 "[ . 1 . 2]" 1
148 1 87 PRO HA 1 88 PRO HD2 4.000 . 5.000 3.807 3.698 3.940 . 0 0 "[ . 1 . 2]" 1
149 1 10 ALA MB 1 59 THR HA 4.000 . 5.000 3.707 2.038 4.397 . 0 0 "[ . 1 . 2]" 1
150 1 83 VAL QG 1 84 PHE H . . 3.500 2.023 1.630 3.007 0.170 11 0 "[ . 1 . 2]" 1
151 1 18 CYS H 1 24 ILE MD . . 3.500 3.040 2.224 3.557 0.057 19 0 "[ . 1 . 2]" 1
152 1 10 ALA MB 1 57 TRP HE3 . . 3.000 2.063 1.839 2.537 . 0 0 "[ . 1 . 2]" 1
153 1 76 VAL H 1 76 VAL HB . . 3.000 2.684 2.045 3.453 0.453 14 0 "[ . 1 . 2]" 1
154 1 94 GLY HA3 1 95 TYR H 4.000 . 5.000 2.336 2.185 2.573 . 0 0 "[ . 1 . 2]" 1
155 1 42 ALA MB 1 43 GLN H . . 3.500 1.874 1.803 2.017 . 0 0 "[ . 1 . 2]" 1
156 1 89 VAL MG2 1 90 LYS H . . 3.500 3.471 3.376 3.625 0.125 12 0 "[ . 1 . 2]" 1
157 1 64 VAL QG 1 67 PHE H 4.000 . 5.000 2.724 1.882 4.194 . 0 0 "[ . 1 . 2]" 1
158 1 85 THR H 1 85 THR MG . . 3.000 2.099 1.800 2.637 . 0 0 "[ . 1 . 2]" 1
159 1 28 MET ME 1 97 ILE HG12 4.000 . 5.000 3.476 2.879 4.019 . 0 0 "[ . 1 . 2]" 1
160 1 76 VAL QG 1 101 GLU HA 4.000 . 5.000 2.344 1.646 3.820 0.154 16 0 "[ . 1 . 2]" 1
161 1 70 ALA HA 1 73 ALA MB 4.000 . 5.000 3.186 2.366 4.314 . 0 0 "[ . 1 . 2]" 1
162 1 31 LEU QD 1 40 VAL MG2 4.000 . 5.000 1.885 1.766 2.359 0.034 8 0 "[ . 1 . 2]" 1
163 1 28 MET ME 1 88 PRO HD2 4.000 . 5.000 2.477 2.075 2.887 . 0 0 "[ . 1 . 2]" 1
164 1 35 MET ME 1 40 VAL MG1 4.000 . 5.000 4.368 1.709 5.084 0.091 14 0 "[ . 1 . 2]" 1
165 1 38 ASN HB3 1 52 GLY QA 4.000 . 5.000 4.829 3.701 5.215 0.215 17 0 "[ . 1 . 2]" 1
166 1 16 ILE MD 1 27 ALA MB 4.000 . 5.000 2.622 1.783 3.385 0.017 8 0 "[ . 1 . 2]" 1
167 1 28 MET ME 1 87 PRO HA 4.000 . 5.000 4.896 4.670 5.005 0.005 17 0 "[ . 1 . 2]" 1
168 1 24 ILE MG 1 88 PRO HG2 4.000 . 5.000 4.234 3.471 4.739 . 0 0 "[ . 1 . 2]" 1
169 1 31 LEU QD 1 40 VAL HB 4.000 . 5.000 3.069 2.350 4.235 . 0 0 "[ . 1 . 2]" 1
170 1 32 LYS HA 1 32 LYS HG2 4.000 . 5.000 2.602 1.962 4.233 . 0 0 "[ . 1 . 2]" 1
171 1 55 LEU QD 1 58 MET ME 4.000 . 5.000 2.667 1.996 3.782 . 0 0 "[ . 1 . 2]" 1
172 1 85 THR MG 1 98 ILE MD 4.000 . 5.000 4.741 3.019 5.083 0.083 11 0 "[ . 1 . 2]" 1
173 1 55 LEU HA 1 55 LEU HG 4.000 . 5.000 2.664 1.894 3.640 . 0 0 "[ . 1 . 2]" 1
174 1 16 ILE QG 1 41 ALA HA 4.000 . 5.000 2.285 1.816 2.927 . 0 0 "[ . 1 . 2]" 1
175 1 24 ILE MD 1 97 ILE HG12 4.000 . 5.000 2.543 1.788 2.995 0.012 16 0 "[ . 1 . 2]" 1
176 1 15 HIS HA 1 16 ILE H . . 3.500 2.182 2.125 2.240 . 0 0 "[ . 1 . 2]" 1
177 1 48 LYS HA 1 48 LYS HD2 4.000 . 5.000 2.983 2.395 4.425 . 0 0 "[ . 1 . 2]" 1
178 1 59 THR H 1 59 THR MG . . 3.500 2.885 1.843 3.490 . 0 0 "[ . 1 . 2]" 1
179 1 16 ILE HA 1 17 LEU H . . 3.500 2.291 2.244 2.400 . 0 0 "[ . 1 . 2]" 1
180 1 85 THR HB 1 89 VAL MG1 4.000 . 5.000 4.833 2.487 5.046 0.046 10 0 "[ . 1 . 2]" 1
181 1 17 LEU HA 1 96 HIS HA 4.000 . 5.000 2.101 1.822 2.908 . 0 0 "[ . 1 . 2]" 1
182 1 101 GLU HA 1 101 GLU HG2 4.000 . 5.000 2.641 1.919 3.749 . 0 0 "[ . 1 . 2]" 1
183 1 28 MET HA 1 97 ILE MD 4.000 . 5.000 3.371 2.858 3.780 . 0 0 "[ . 1 . 2]" 1
184 1 76 VAL QG 1 77 SER H . . 3.500 2.450 1.746 3.278 0.054 10 0 "[ . 1 . 2]" 1
185 1 89 VAL MG2 1 98 ILE MD 4.000 . 5.000 1.844 1.776 2.061 0.024 11 0 "[ . 1 . 2]" 1
186 1 16 ILE QG 1 41 ALA MB 4.000 . 5.000 2.926 2.121 3.513 . 0 0 "[ . 1 . 2]" 1
187 1 90 LYS HA 1 95 TYR HA 4.000 . 5.000 2.775 2.385 3.381 . 0 0 "[ . 1 . 2]" 1
188 1 76 VAL QG 1 102 GLY HA2 4.000 . 5.000 3.516 2.799 3.894 . 0 0 "[ . 1 . 2]" 1
189 1 28 MET ME 1 97 ILE HG13 4.000 . 5.000 4.669 3.999 5.068 0.068 15 0 "[ . 1 . 2]" 1
190 1 75 PRO HG2 1 83 VAL QG 4.000 . 5.000 2.696 1.757 3.650 0.043 18 0 "[ . 1 . 2]" 1
191 1 91 THR MG 1 96 HIS HD2 . . 3.000 2.513 1.860 3.027 0.027 13 0 "[ . 1 . 2]" 1
192 1 64 VAL QG 1 67 PHE HB2 4.000 . 5.000 2.288 1.768 3.027 0.032 12 0 "[ . 1 . 2]" 1
193 1 102 GLY HA2 1 103 ARG H . . 3.000 2.426 2.153 3.531 0.531 14 2 "[ . 1 - +. 2]" 1
194 1 68 GLN HA 1 71 ALA MB 4.000 . 5.000 3.222 2.488 3.937 . 0 0 "[ . 1 . 2]" 1
195 1 28 MET HB3 1 97 ILE MD 4.000 . 5.000 4.558 3.345 4.946 . 0 0 "[ . 1 . 2]" 1
196 1 31 LEU HA 1 40 VAL MG1 4.000 . 5.000 4.513 3.426 4.906 . 0 0 "[ . 1 . 2]" 1
197 1 74 LEU QD 1 84 PHE HA 4.000 . 5.000 4.506 4.030 5.083 0.083 10 0 "[ . 1 . 2]" 1
198 1 75 PRO HG3 1 83 VAL QG 4.000 . 5.000 3.932 3.048 4.816 . 0 0 "[ . 1 . 2]" 1
199 1 79 MET HA 1 79 MET HG2 4.000 . 5.000 2.707 1.995 4.026 . 0 0 "[ . 1 . 2]" 1
200 1 55 LEU QD 1 67 PHE HZ 4.000 . 5.000 3.560 2.659 4.754 . 0 0 "[ . 1 . 2]" 1
201 1 10 ALA H 1 10 ALA MB . . 3.000 2.417 2.028 2.637 . 0 0 "[ . 1 . 2]" 1
202 1 71 ALA MB 1 72 PHE H . . 3.500 2.119 1.826 2.608 . 0 0 "[ . 1 . 2]" 1
203 1 24 ILE MG 1 95 TYR HB3 4.000 . 5.000 4.607 3.603 5.053 0.053 10 0 "[ . 1 . 2]" 1
204 1 28 MET ME 1 86 ASP HB2 4.000 . 5.000 4.635 3.542 5.045 0.045 11 0 "[ . 1 . 2]" 1
205 1 64 VAL QG 1 66 PRO HD3 4.000 . 5.000 3.625 2.880 5.507 0.507 8 1 "[ . + 1 . 2]" 1
206 1 67 PHE HA 1 89 VAL MG2 4.000 . 5.000 3.742 2.954 4.557 . 0 0 "[ . 1 . 2]" 1
207 1 14 ARG HA 1 54 ASP HA 4.000 . 5.000 2.268 1.888 3.167 . 0 0 "[ . 1 . 2]" 1
208 1 16 ILE MG 1 45 SER HA 4.000 . 5.000 2.427 1.801 3.869 . 0 0 "[ . 1 . 2]" 1
209 1 42 ALA HA 1 49 ALA HA 4.000 . 5.000 3.711 2.460 5.041 0.041 15 0 "[ . 1 . 2]" 1
210 1 31 LEU H 1 31 LEU HB3 . . 3.500 3.488 3.398 3.560 0.060 2 0 "[ . 1 . 2]" 1
211 1 24 ILE HA 1 27 ALA MB 4.000 . 5.000 2.459 2.105 2.731 . 0 0 "[ . 1 . 2]" 1
212 1 24 ILE H 1 24 ILE HB . . 3.500 2.243 1.966 2.488 . 0 0 "[ . 1 . 2]" 1
213 1 17 LEU QD 1 47 ASP HB2 4.000 . 5.000 3.718 2.226 5.017 0.017 17 0 "[ . 1 . 2]" 1
214 1 17 LEU QD 1 94 GLY HA2 4.000 . 5.000 4.274 3.123 5.425 0.425 17 0 "[ . 1 . 2]" 1
215 1 17 LEU QD 1 93 PHE HB2 4.000 . 5.000 3.706 2.779 4.342 . 0 0 "[ . 1 . 2]" 1
216 1 16 ILE MD 1 97 ILE MD 4.000 . 5.000 2.826 2.558 3.107 . 0 0 "[ . 1 . 2]" 1
217 1 18 CYS QB 1 24 ILE MD 4.000 . 5.000 2.532 1.808 3.360 . 0 0 "[ . 1 . 2]" 1
218 1 40 VAL MG2 1 44 TYR QD 4.000 . 5.000 3.731 3.001 4.061 . 0 0 "[ . 1 . 2]" 1
219 1 59 THR HB 1 60 ARG H . . 3.500 3.255 2.960 3.831 0.331 16 0 "[ . 1 . 2]" 1
220 1 93 PHE HA 1 94 GLY H 4.000 . 5.000 3.381 2.662 3.596 . 0 0 "[ . 1 . 2]" 1
221 1 71 ALA H 1 85 THR MG 4.000 . 5.000 5.016 4.869 5.080 0.080 12 0 "[ . 1 . 2]" 1
222 1 35 MET HA 1 35 MET HG2 4.000 . 5.000 3.461 2.796 4.233 . 0 0 "[ . 1 . 2]" 1
223 1 19 GLU HA 1 94 GLY HA3 4.000 . 5.000 4.031 2.975 4.892 . 0 0 "[ . 1 . 2]" 1
224 1 28 MET HA 1 31 LEU QD 4.000 . 5.000 3.425 2.404 3.871 . 0 0 "[ . 1 . 2]" 1
225 1 67 PHE HA 1 98 ILE MD 4.000 . 5.000 2.739 2.120 3.383 . 0 0 "[ . 1 . 2]" 1
226 1 25 MET HA 1 28 MET HB3 4.000 . 5.000 3.299 1.883 4.359 . 0 0 "[ . 1 . 2]" 1
227 1 40 VAL H 1 40 VAL HB . . 3.500 3.513 3.119 3.563 0.063 14 0 "[ . 1 . 2]" 1
228 1 35 MET HG3 1 40 VAL MG1 4.000 . 5.000 4.495 2.301 5.072 0.072 3 0 "[ . 1 . 2]" 1
229 1 37 PHE HA 1 40 VAL HB 4.000 . 5.000 5.071 4.993 5.169 0.169 17 0 "[ . 1 . 2]" 1
230 1 27 ALA MB 1 44 TYR QB 4.000 . 5.000 2.094 1.801 2.541 . 0 0 "[ . 1 . 2]" 1
231 1 13 VAL H 1 13 VAL QG 4.000 . 5.000 1.972 1.755 2.364 0.045 18 0 "[ . 1 . 2]" 1
232 1 65 GLY HA3 1 66 PRO HD3 4.000 . 5.000 2.151 1.992 2.372 . 0 0 "[ . 1 . 2]" 1
233 1 17 LEU QD 1 95 TYR H 4.000 . 5.000 3.166 2.186 4.439 . 0 0 "[ . 1 . 2]" 1
234 1 29 GLU HA 1 29 GLU HG2 4.000 . 5.000 2.339 1.935 3.551 . 0 0 "[ . 1 . 2]" 1
235 1 27 ALA HA 1 30 LYS QB 4.000 . 5.000 2.815 2.457 3.136 . 0 0 "[ . 1 . 2]" 1
236 1 37 PHE HA 1 40 VAL MG1 4.000 . 5.000 3.961 2.346 4.645 . 0 0 "[ . 1 . 2]" 1
237 1 14 ARG HA 1 55 LEU H . . 3.500 2.646 1.835 3.550 0.050 8 0 "[ . 1 . 2]" 1
238 1 39 GLU HA 1 42 ALA H . . 3.500 3.348 3.144 3.565 0.065 18 0 "[ . 1 . 2]" 1
239 1 102 GLY HA3 1 103 ARG H . . 3.500 3.280 2.490 3.552 0.052 1 0 "[ . 1 . 2]" 1
240 1 91 THR H 1 91 THR MG . . 3.500 2.479 1.922 2.875 . 0 0 "[ . 1 . 2]" 1
241 1 71 ALA HA 1 98 ILE MG 4.000 . 5.000 3.244 2.262 3.924 . 0 0 "[ . 1 . 2]" 1
242 1 11 VAL QG 1 103 ARG HA 4.000 . 5.000 2.714 1.772 3.648 0.028 14 0 "[ . 1 . 2]" 1
243 1 15 HIS HA 1 98 ILE HA 4.000 . 5.000 2.938 2.261 3.574 . 0 0 "[ . 1 . 2]" 1
244 1 24 ILE HA 1 24 ILE HG12 4.000 . 5.000 3.506 2.173 3.809 . 0 0 "[ . 1 . 2]" 1
245 1 65 GLY HA3 1 66 PRO HD2 4.000 . 5.000 2.603 1.933 2.971 . 0 0 "[ . 1 . 2]" 1
246 1 31 LEU HG 1 40 VAL MG1 4.000 . 5.000 4.299 2.654 4.997 . 0 0 "[ . 1 . 2]" 1
247 1 23 LYS HA 1 26 GLU H . . 3.500 2.600 2.352 2.865 . 0 0 "[ . 1 . 2]" 1
248 1 24 ILE MG 1 95 TYR HB2 4.000 . 5.000 4.463 3.571 5.061 0.061 10 0 "[ . 1 . 2]" 1
249 1 85 THR MG 1 98 ILE MG 4.000 . 5.000 4.837 4.221 5.097 0.097 7 0 "[ . 1 . 2]" 1
250 1 16 ILE MG 1 41 ALA HA 4.000 . 5.000 3.622 2.033 4.878 . 0 0 "[ . 1 . 2]" 1
251 1 14 ARG HB2 1 54 ASP HA 4.000 . 5.000 4.298 3.545 4.900 . 0 0 "[ . 1 . 2]" 1
252 1 31 LEU HA 1 35 MET H 4.000 . 5.000 4.150 3.715 5.036 0.036 9 0 "[ . 1 . 2]" 1
253 1 100 VAL QG 1 101 GLU H . . 3.500 2.415 2.062 2.943 . 0 0 "[ . 1 . 2]" 1
254 1 66 PRO QG 1 91 THR MG 4.000 . 5.000 3.487 2.652 4.103 . 0 0 "[ . 1 . 2]" 1
255 1 63 MET ME 1 64 VAL QG 4.000 . 5.000 4.774 4.382 5.027 0.027 8 0 "[ . 1 . 2]" 1
256 1 25 MET HA 1 28 MET H . . 3.500 2.734 2.579 3.035 . 0 0 "[ . 1 . 2]" 1
257 1 13 VAL QG 1 58 MET QG 4.000 . 5.000 2.763 1.825 4.243 . 0 0 "[ . 1 . 2]" 1
258 1 63 MET ME 1 72 PHE QE 4.000 . 5.000 3.049 1.910 4.553 . 0 0 "[ . 1 . 2]" 1
259 1 28 MET H 1 97 ILE MD . . 3.500 3.573 3.267 3.667 0.167 17 0 "[ . 1 . 2]" 1
260 1 11 VAL QG 1 72 PHE HA 4.000 . 5.000 3.103 1.740 3.934 0.060 7 0 "[ . 1 . 2]" 1
261 1 20 LYS H 1 20 LYS QB . . 3.000 2.561 2.225 2.995 . 0 0 "[ . 1 . 2]" 1
262 1 60 ARG HA 1 63 MET ME 4.000 . 5.000 4.139 2.965 5.002 0.002 6 0 "[ . 1 . 2]" 1
263 1 16 ILE MD 1 41 ALA MB 4.000 . 5.000 2.639 1.761 3.636 0.039 11 0 "[ . 1 . 2]" 1
264 1 29 GLU HA 1 29 GLU HG3 4.000 . 5.000 2.945 2.224 3.651 . 0 0 "[ . 1 . 2]" 1
265 1 57 TRP HZ3 1 103 ARG HA 4.000 . 5.000 2.124 1.794 3.215 0.006 20 0 "[ . 1 . 2]" 1
266 1 13 VAL QG 1 63 MET ME 4.000 . 5.000 2.626 1.967 3.234 . 0 0 "[ . 1 . 2]" 1
267 1 17 LEU QD 1 93 PHE HB3 4.000 . 5.000 2.761 2.029 3.294 . 0 0 "[ . 1 . 2]" 1
268 1 17 LEU QD 1 47 ASP HB3 4.000 . 5.000 3.714 2.488 5.043 0.043 6 0 "[ . 1 . 2]" 1
269 1 11 VAL HA 1 100 VAL QG 4.000 . 5.000 3.383 2.973 3.722 . 0 0 "[ . 1 . 2]" 1
270 1 38 ASN HB2 1 52 GLY QA 4.000 . 5.000 4.634 3.673 5.201 0.201 6 0 "[ . 1 . 2]" 1
271 1 77 SER H 1 101 GLU HA . . 3.500 3.469 2.733 3.667 0.167 19 0 "[ . 1 . 2]" 1
272 1 101 GLU HA 1 101 GLU HG3 4.000 . 5.000 2.811 2.099 3.526 . 0 0 "[ . 1 . 2]" 1
273 1 11 VAL QG 1 58 MET QB 4.000 . 5.000 2.961 2.388 3.692 . 0 0 "[ . 1 . 2]" 1
274 1 12 LYS HA 1 12 LYS QD 4.000 . 5.000 1.929 1.776 2.479 0.024 13 0 "[ . 1 . 2]" 1
275 1 16 ILE HA 1 16 ILE MD 4.000 . 5.000 3.724 3.604 3.806 . 0 0 "[ . 1 . 2]" 1
276 1 68 GLN HA 1 68 GLN HG2 4.000 . 5.000 2.691 2.382 3.810 . 0 0 "[ . 1 . 2]" 1
277 1 66 PRO HA 1 69 GLU H 4.000 . 5.000 3.400 2.976 4.132 . 0 0 "[ . 1 . 2]" 1
278 1 67 PHE HA 1 70 ALA MB 4.000 . 5.000 3.605 2.683 4.381 . 0 0 "[ . 1 . 2]" 1
279 1 16 ILE MG 1 44 TYR QB 4.000 . 5.000 2.975 2.239 3.466 . 0 0 "[ . 1 . 2]" 1
280 1 66 PRO HB2 1 89 VAL MG2 4.000 . 5.000 4.751 3.980 5.017 0.017 1 0 "[ . 1 . 2]" 1
281 1 13 VAL H 1 13 VAL HB . . 3.500 2.878 2.320 3.574 0.074 2 0 "[ . 1 . 2]" 1
282 1 67 PHE HB2 1 91 THR MG 4.000 . 5.000 3.418 2.627 4.223 . 0 0 "[ . 1 . 2]" 1
283 1 31 LEU H 1 31 LEU HB2 4.000 . 5.000 2.213 2.026 2.549 . 0 0 "[ . 1 . 2]" 1
284 1 16 ILE MG 1 31 LEU QD 4.000 . 5.000 3.420 2.663 3.912 . 0 0 "[ . 1 . 2]" 1
285 1 38 ASN HA 1 52 GLY QA 4.000 . 5.000 3.725 3.118 4.795 . 0 0 "[ . 1 . 2]" 1
286 1 13 VAL QG 1 58 MET QB 4.000 . 5.000 2.314 1.705 3.041 0.095 15 0 "[ . 1 . 2]" 1
287 1 35 MET HG2 1 40 VAL MG1 4.000 . 5.000 4.189 2.768 5.103 0.103 19 0 "[ . 1 . 2]" 1
288 1 10 ALA HA 1 60 ARG H 4.000 . 5.000 4.528 3.512 5.002 0.002 20 0 "[ . 1 . 2]" 1
289 1 84 PHE HA 1 85 THR MG 4.000 . 5.000 4.924 4.775 5.130 0.130 18 0 "[ . 1 . 2]" 1
290 1 19 GLU HA 1 95 TYR H 4.000 . 5.000 4.618 3.316 5.063 0.063 6 0 "[ . 1 . 2]" 1
291 1 40 VAL HB 1 41 ALA H . . 3.500 3.204 2.289 3.660 0.160 9 0 "[ . 1 . 2]" 1
292 1 73 ALA MB 1 74 LEU H 4.000 . 5.000 2.825 2.184 3.466 . 0 0 "[ . 1 . 2]" 1
293 1 41 ALA MB 1 53 GLY HA3 4.000 . 5.000 4.559 3.834 5.216 0.216 5 0 "[ . 1 . 2]" 1
294 1 28 MET HA 1 31 LEU HB3 4.000 . 5.000 4.453 3.962 4.860 . 0 0 "[ . 1 . 2]" 1
295 1 31 LEU HA 1 31 LEU HG 4.000 . 5.000 2.354 1.967 3.079 . 0 0 "[ . 1 . 2]" 1
296 1 14 ARG HB3 1 54 ASP HA 4.000 . 5.000 3.147 2.032 4.391 . 0 0 "[ . 1 . 2]" 1
297 1 48 LYS HA 1 48 LYS HD3 4.000 . 5.000 2.801 1.996 4.220 . 0 0 "[ . 1 . 2]" 1
298 1 12 LYS H 1 100 VAL QG . . 3.500 2.976 2.371 3.534 0.034 9 0 "[ . 1 . 2]" 1
299 1 41 ALA HA 1 45 SER H . . 3.500 3.123 2.522 3.586 0.086 10 0 "[ . 1 . 2]" 1
300 1 88 PRO HA 1 89 VAL MG1 4.000 . 5.000 3.946 3.836 4.287 . 0 0 "[ . 1 . 2]" 1
301 1 66 PRO HB2 1 91 THR MG 4.000 . 5.000 2.930 1.820 3.785 . 0 0 "[ . 1 . 2]" 1
302 1 74 LEU QD 1 85 THR HA 4.000 . 5.000 3.955 3.299 4.899 . 0 0 "[ . 1 . 2]" 1
303 1 31 LEU HA 1 35 MET QB 4.000 . 5.000 4.553 3.727 5.102 0.102 9 0 "[ . 1 . 2]" 1
304 1 34 GLY HA3 1 35 MET H 4.000 . 5.000 3.492 3.138 3.584 . 0 0 "[ . 1 . 2]" 1
305 1 25 MET HA 1 25 MET ME 4.000 . 5.000 2.903 1.860 4.085 . 0 0 "[ . 1 . 2]" 1
306 1 23 LYS QE 1 44 TYR HA 4.000 . 5.000 2.890 1.944 4.246 . 0 0 "[ . 1 . 2]" 1
307 1 97 ILE HA 1 97 ILE HG13 4.000 . 5.000 3.189 2.968 3.370 . 0 0 "[ . 1 . 2]" 1
308 1 24 ILE MD 1 96 HIS HA 4.000 . 5.000 3.273 2.596 3.873 . 0 0 "[ . 1 . 2]" 1
309 1 66 PRO HB3 1 66 PRO HD3 4.000 . 5.000 3.658 3.578 3.712 . 0 0 "[ . 1 . 2]" 1
310 1 75 PRO HA 1 75 PRO HG2 4.000 . 5.000 4.076 4.035 4.088 . 0 0 "[ . 1 . 2]" 1
311 1 67 PHE HA 1 91 THR MG 4.000 . 5.000 3.176 2.414 3.941 . 0 0 "[ . 1 . 2]" 1
312 1 13 VAL QG 1 14 ARG H . . 3.500 2.619 1.888 3.548 0.048 2 0 "[ . 1 . 2]" 1
313 1 10 ALA MB 1 104 LYS QE 4.000 . 5.000 3.566 2.329 4.689 . 0 0 "[ . 1 . 2]" 1
314 1 31 LEU QD 1 37 PHE QD . . 3.500 2.577 1.838 3.272 . 0 0 "[ . 1 . 2]" 1
315 1 11 VAL QG 1 12 LYS H 4.000 . 5.000 3.323 2.661 3.517 . 0 0 "[ . 1 . 2]" 1
316 1 40 VAL HA 1 43 GLN HB2 4.000 . 5.000 4.750 4.214 5.540 0.540 18 1 "[ . 1 . + 2]" 1
317 1 27 ALA HA 1 30 LYS QG 4.000 . 5.000 4.010 3.137 5.032 0.032 19 0 "[ . 1 . 2]" 1
318 1 63 MET ME 1 68 GLN HA 4.000 . 5.000 2.922 1.918 4.067 . 0 0 "[ . 1 . 2]" 1
319 1 12 LYS HA 1 12 LYS HG2 4.000 . 5.000 3.073 2.193 3.693 . 0 0 "[ . 1 . 2]" 1
320 1 59 THR MG 1 60 ARG H . . 3.500 3.564 3.406 3.716 0.216 6 0 "[ . 1 . 2]" 1
321 1 75 PRO HA 1 76 VAL QG 4.000 . 5.000 3.749 3.241 4.370 . 0 0 "[ . 1 . 2]" 1
322 1 24 ILE H 1 24 ILE MD 4.000 . 6.000 3.826 3.649 4.292 . 0 0 "[ . 1 . 2]" 1
323 1 32 LYS HA 1 33 SER H 4.000 . 6.000 3.559 3.501 3.595 . 0 0 "[ . 1 . 2]" 1
324 1 12 LYS HA 1 58 MET H 4.000 . 5.000 4.045 3.419 4.245 . 0 0 "[ . 1 . 2]" 1
325 1 31 LEU H 1 31 LEU HG . . 3.500 3.072 1.848 3.661 0.161 8 0 "[ . 1 . 2]" 1
326 1 26 GLU HA 1 29 GLU H 4.000 . 6.000 3.318 2.785 3.615 . 0 0 "[ . 1 . 2]" 1
327 1 11 VAL HB 1 12 LYS H . . 3.500 3.168 3.033 3.569 0.069 18 0 "[ . 1 . 2]" 1
328 1 74 LEU H 1 74 LEU HG . . 3.500 2.911 1.861 3.516 0.016 6 0 "[ . 1 . 2]" 1
329 1 21 HIS HA 1 24 ILE H 4.000 . 5.000 3.019 2.360 3.540 . 0 0 "[ . 1 . 2]" 1
330 1 76 VAL QG 1 102 GLY HA3 4.000 . 6.000 4.220 3.629 4.672 . 0 0 "[ . 1 . 2]" 1
331 1 34 GLY HA2 1 35 MET H 4.000 . 5.000 3.015 2.810 3.466 . 0 0 "[ . 1 . 2]" 1
332 1 41 ALA HA 1 45 SER HA 4.000 . 6.000 4.355 3.689 5.166 . 0 0 "[ . 1 . 2]" 1
333 1 75 PRO HB2 1 76 VAL H . . 3.500 3.057 2.063 3.546 0.046 17 0 "[ . 1 . 2]" 1
334 1 29 GLU HA 1 32 LYS H . . 3.500 3.481 3.322 3.591 0.091 14 0 "[ . 1 . 2]" 1
335 1 74 LEU HB3 1 75 PRO HD2 4.000 . 6.000 2.290 1.790 3.491 0.010 7 0 "[ . 1 . 2]" 1
336 1 16 ILE MD 1 41 ALA HA 4.000 . 6.000 2.456 1.809 3.424 . 0 0 "[ . 1 . 2]" 1
337 1 43 GLN HA 1 43 GLN HG2 4.000 . 6.000 2.626 2.050 3.856 . 0 0 "[ . 1 . 2]" 1
338 1 75 PRO HB3 1 75 PRO HD3 4.000 . 6.000 3.672 3.491 3.752 . 0 0 "[ . 1 . 2]" 1
339 1 22 GLY HA3 1 23 LYS H . . 3.500 2.948 2.527 3.279 . 0 0 "[ . 1 . 2]" 1
340 1 17 LEU H 1 45 SER HA 4.000 . 5.000 1.851 1.766 2.450 0.034 17 0 "[ . 1 . 2]" 1
341 1 10 ALA HA 1 11 VAL QG 4.000 . 6.000 3.024 2.884 3.251 . 0 0 "[ . 1 . 2]" 1
342 1 74 LEU HA 1 83 VAL QG 4.000 . 6.000 3.877 2.630 5.146 . 0 0 "[ . 1 . 2]" 1
343 1 74 LEU HA 1 74 LEU HG 4.000 . 6.000 2.726 2.039 3.623 . 0 0 "[ . 1 . 2]" 1
344 1 75 PRO HB3 1 75 PRO HD2 4.000 . 6.000 4.084 4.067 4.090 . 0 0 "[ . 1 . 2]" 1
345 1 100 VAL H 1 100 VAL QG . . 3.500 2.272 1.759 2.659 0.041 8 0 "[ . 1 . 2]" 1
346 1 24 ILE MG 1 97 ILE HG12 4.000 . 6.000 5.310 4.743 5.945 . 0 0 "[ . 1 . 2]" 1
347 1 40 VAL HA 1 43 GLN H 4.000 . 5.000 3.806 3.602 4.056 . 0 0 "[ . 1 . 2]" 1
348 1 97 ILE HA 1 97 ILE HG12 4.000 . 6.000 2.515 2.381 2.722 . 0 0 "[ . 1 . 2]" 1
349 1 36 ARG HA 1 36 ARG QD 4.000 . 6.000 3.943 3.591 4.083 . 0 0 "[ . 1 . 2]" 1
350 1 12 LYS HA 1 12 LYS HG3 4.000 . 6.000 3.236 2.793 3.610 . 0 0 "[ . 1 . 2]" 1
351 1 24 ILE HA 1 24 ILE HG13 4.000 . 6.000 2.877 2.540 3.575 . 0 0 "[ . 1 . 2]" 1
352 1 15 HIS HD2 1 55 LEU QD 4.000 . 5.000 2.245 1.748 3.404 0.052 1 0 "[ . 1 . 2]" 1
353 1 16 ILE MG 1 41 ALA MB 4.000 . 6.000 4.494 3.120 5.559 . 0 0 "[ . 1 . 2]" 1
354 1 78 GLY QA 1 79 MET H . . 3.500 2.238 2.153 2.314 . 0 0 "[ . 1 . 2]" 1
355 1 88 PRO HA 1 89 VAL MG2 4.000 . 6.000 4.120 4.023 4.293 . 0 0 "[ . 1 . 2]" 1
356 1 101 GLU HA 1 102 GLY H 4.000 . 5.000 2.269 2.169 2.335 . 0 0 "[ . 1 . 2]" 1
357 1 46 GLU HA 1 47 ASP H 4.000 . 6.000 2.733 2.235 3.311 . 0 0 "[ . 1 . 2]" 1
358 1 59 THR H 1 59 THR HB . . 3.500 3.423 2.955 3.573 0.073 17 0 "[ . 1 . 2]" 1
359 1 24 ILE MD 1 95 TYR HB3 4.000 . 6.000 3.066 1.941 4.323 . 0 0 "[ . 1 . 2]" 1
360 1 87 PRO HA 1 87 PRO HG2 4.000 . 6.000 4.047 4.026 4.063 . 0 0 "[ . 1 . 2]" 1
361 1 71 ALA MB 1 98 ILE MD 4.000 . 6.000 2.663 1.951 3.585 . 0 0 "[ . 1 . 2]" 1
362 1 17 LEU QD 1 94 GLY HA3 4.000 . 6.000 3.008 1.775 4.358 0.025 12 0 "[ . 1 . 2]" 1
363 1 31 LEU HB3 1 32 LYS H . . 3.500 3.399 2.864 3.748 0.248 2 0 "[ . 1 . 2]" 1
364 1 44 TYR HA 1 44 TYR QD . . 3.500 2.388 2.132 3.048 . 0 0 "[ . 1 . 2]" 1
365 1 16 ILE MG 1 17 LEU H 4.000 . 5.000 3.172 2.346 3.663 . 0 0 "[ . 1 . 2]" 1
366 1 11 VAL HA 1 104 LYS H 4.000 . 5.000 4.118 3.585 4.916 . 0 0 "[ . 1 . 2]" 1
367 1 24 ILE MD 1 88 PRO HB2 4.000 . 6.000 3.527 3.202 4.252 . 0 0 "[ . 1 . 2]" 1
368 1 10 ALA MB 1 57 TRP HH2 4.000 . 6.000 4.353 3.822 5.698 . 0 0 "[ . 1 . 2]" 1
369 1 16 ILE H 1 16 ILE HB . . 3.500 2.486 2.199 2.811 . 0 0 "[ . 1 . 2]" 1
370 1 88 PRO HA 1 88 PRO HG3 4.000 . 6.000 3.671 3.636 3.731 . 0 0 "[ . 1 . 2]" 1
371 1 64 VAL QG 1 66 PRO HD2 4.000 . 6.000 2.279 1.778 4.503 0.022 13 0 "[ . 1 . 2]" 1
372 1 18 CYS QB 1 24 ILE HB 4.000 . 5.000 2.039 1.741 2.501 0.059 19 0 "[ . 1 . 2]" 1
373 1 80 ASP HA 1 81 LYS H . . 3.500 2.902 2.220 3.541 0.041 3 0 "[ . 1 . 2]" 1
374 1 21 HIS HD2 1 24 ILE MG 4.000 . 5.000 4.711 2.167 5.067 0.067 13 0 "[ . 1 . 2]" 1
375 1 11 VAL HA 1 57 TRP HZ3 4.000 . 5.000 2.624 1.843 3.838 . 0 0 "[ . 1 . 2]" 1
376 1 79 MET HA 1 79 MET HG3 4.000 . 6.000 2.879 2.374 3.687 . 0 0 "[ . 1 . 2]" 1
377 1 70 ALA HA 1 71 ALA H . . 3.500 3.535 3.508 3.571 0.071 10 0 "[ . 1 . 2]" 1
378 1 39 GLU QB 1 40 VAL HA 4.000 . 6.000 3.996 3.861 4.765 . 0 0 "[ . 1 . 2]" 1
379 1 13 VAL HB 1 55 LEU QD 4.000 . 6.000 4.671 2.046 5.906 . 0 0 "[ . 1 . 2]" 1
380 1 69 GLU HA 1 70 ALA H 4.000 . 5.000 3.550 3.526 3.590 . 0 0 "[ . 1 . 2]" 1
381 1 104 LYS HA 1 104 LYS HG2 4.000 . 6.000 3.239 2.218 4.236 . 0 0 "[ . 1 . 2]" 1
382 1 73 ALA HA 1 74 LEU H 4.000 . 5.000 3.453 3.156 3.590 . 0 0 "[ . 1 . 2]" 1
383 1 37 PHE HA 1 40 VAL H 4.000 . 6.000 4.415 4.115 4.716 . 0 0 "[ . 1 . 2]" 1
384 1 75 PRO HB2 1 75 PRO HD3 4.000 . 6.000 4.085 4.051 4.092 . 0 0 "[ . 1 . 2]" 1
385 1 74 LEU HB3 1 75 PRO HD3 4.000 . 6.000 3.479 3.088 4.505 . 0 0 "[ . 1 . 2]" 1
386 1 12 LYS HA 1 103 ARG HA 4.000 . 6.000 6.083 5.968 6.194 0.194 1 0 "[ . 1 . 2]" 1
387 1 98 ILE H 1 98 ILE MG . . 3.500 3.603 3.547 3.700 0.200 12 0 "[ . 1 . 2]" 1
388 1 70 ALA MB 1 71 ALA HA 4.000 . 6.000 3.705 3.593 3.957 . 0 0 "[ . 1 . 2]" 1
389 1 42 ALA HA 1 43 GLN H 4.000 . 5.000 3.593 3.552 3.613 . 0 0 "[ . 1 . 2]" 1
390 1 24 ILE MD 1 95 TYR HB2 4.000 . 6.000 3.371 2.492 3.992 . 0 0 "[ . 1 . 2]" 1
391 1 16 ILE MG 1 44 TYR HB3 4.000 . 6.000 3.181 2.528 3.680 . 0 0 "[ . 1 . 2]" 1
392 1 74 LEU H 1 74 LEU QD . . 3.500 3.136 1.852 3.550 0.050 18 0 "[ . 1 . 2]" 1
393 1 31 LEU QD 1 37 PHE QB 4.000 . 6.000 3.837 2.460 4.700 . 0 0 "[ . 1 . 2]" 1
394 1 31 LEU H 1 31 LEU QD 4.000 . 5.000 2.224 1.732 2.980 0.068 8 0 "[ . 1 . 2]" 1
395 1 35 MET HA 1 35 MET ME 4.000 . 6.000 3.905 1.941 5.110 . 0 0 "[ . 1 . 2]" 1
396 1 27 ALA MB 1 44 TYR QD . . 3.500 2.457 1.857 3.100 . 0 0 "[ . 1 . 2]" 1
397 1 43 GLN HA 1 44 TYR H 4.000 . 5.000 3.557 3.491 3.609 . 0 0 "[ . 1 . 2]" 1
398 1 15 HIS HA 1 98 ILE MG 4.000 . 6.000 4.719 3.886 5.113 . 0 0 "[ . 1 . 2]" 1
399 1 76 VAL QG 1 103 ARG H . . 3.500 3.318 2.524 3.508 0.008 17 0 "[ . 1 . 2]" 1
400 1 89 VAL MG1 1 90 LYS H 4.000 . 5.000 4.120 3.993 4.220 . 0 0 "[ . 1 . 2]" 1
401 1 38 ASN H 1 40 VAL MG1 4.000 . 6.000 5.153 3.811 5.944 . 0 0 "[ . 1 . 2]" 1
402 1 17 LEU QD 1 21 HIS HE1 4.000 . 5.000 3.591 2.639 4.585 . 0 0 "[ . 1 . 2]" 1
403 1 89 VAL H 1 89 VAL MG2 4.000 . 6.000 2.058 1.954 2.197 . 0 0 "[ . 1 . 2]" 1
404 1 66 PRO HB2 1 66 PRO HD3 4.000 . 6.000 4.083 4.069 4.089 . 0 0 "[ . 1 . 2]" 1
405 1 28 MET HA 1 31 LEU H 4.000 . 5.000 4.458 4.104 4.718 . 0 0 "[ . 1 . 2]" 1
406 1 17 LEU HA 1 24 ILE MD 4.000 . 6.000 3.391 2.762 3.843 . 0 0 "[ . 1 . 2]" 1
407 1 16 ILE H 1 98 ILE HA 4.000 . 6.000 4.243 3.708 4.563 . 0 0 "[ . 1 . 2]" 1
408 1 16 ILE MG 1 44 TYR HB2 4.000 . 6.000 3.665 2.499 4.496 . 0 0 "[ . 1 . 2]" 1
409 1 40 VAL HA 1 44 TYR QD . . 3.000 2.964 2.043 3.183 0.183 4 0 "[ . 1 . 2]" 1
410 1 72 PHE HA 1 72 PHE QD . . 3.500 2.642 2.122 3.275 . 0 0 "[ . 1 . 2]" 1
411 1 10 ALA MB 1 58 MET H 4.000 . 5.000 3.289 2.805 3.977 . 0 0 "[ . 1 . 2]" 1
412 1 17 LEU QD 1 94 GLY H 4.000 . 6.000 3.633 2.550 4.849 . 0 0 "[ . 1 . 2]" 1
413 1 29 GLU HA 1 30 LYS H 4.000 . 6.000 3.598 3.582 3.610 . 0 0 "[ . 1 . 2]" 1
414 1 25 MET ME 1 40 VAL QG 4.000 . 6.000 6.145 6.045 6.312 0.312 6 0 "[ . 1 . 2]" 1
415 1 30 LYS HA 1 33 SER H 4.000 . 6.000 3.900 3.185 4.599 . 0 0 "[ . 1 . 2]" 1
416 1 10 ALA MB 1 57 TRP HZ3 4.000 . 5.000 2.565 2.095 3.741 . 0 0 "[ . 1 . 2]" 1
417 1 58 MET HA 1 59 THR MG 4.000 . 6.000 3.989 3.369 4.335 . 0 0 "[ . 1 . 2]" 1
418 1 31 LEU H 1 40 VAL MG1 . . 3.500 3.585 3.442 3.704 0.204 18 0 "[ . 1 . 2]" 1
419 1 54 ASP HA 1 56 GLY H 4.000 . 5.000 3.498 3.084 4.628 . 0 0 "[ . 1 . 2]" 1
420 1 74 LEU HA 1 75 PRO HG2 4.000 . 6.000 4.519 4.171 4.668 . 0 0 "[ . 1 . 2]" 1
421 1 91 THR H 1 95 TYR HA 4.000 . 5.000 4.749 4.344 5.037 0.037 15 0 "[ . 1 . 2]" 1
422 1 27 ALA MB 1 44 TYR HB3 4.000 . 6.000 2.122 1.821 2.580 . 0 0 "[ . 1 . 2]" 1
423 1 97 ILE HA 1 97 ILE MD 4.000 . 6.000 3.786 3.717 3.895 . 0 0 "[ . 1 . 2]" 1
424 1 52 GLY QA 1 53 GLY H 4.000 . 6.000 2.786 2.514 2.923 . 0 0 "[ . 1 . 2]" 1
425 1 45 SER HA 1 47 ASP H 4.000 . 6.000 4.586 4.136 5.610 . 0 0 "[ . 1 . 2]" 1
426 1 19 GLU H 1 19 GLU QB 2.500 . 3.000 2.361 1.964 2.977 . 0 0 "[ . 1 . 2]" 1
427 1 69 GLU H 1 69 GLU QB 2.500 . 3.000 2.082 1.975 2.211 . 0 0 "[ . 1 . 2]" 1
428 1 35 MET H 1 35 MET QB 2.500 . 3.000 2.276 1.969 2.877 . 0 0 "[ . 1 . 2]" 1
429 1 39 GLU H 1 39 GLU QB 2.500 . 3.000 2.418 1.943 2.622 . 0 0 "[ . 1 . 2]" 1
430 1 56 GLY H 1 56 GLY HA2 2.500 . 3.000 2.451 2.361 2.661 . 0 0 "[ . 1 . 2]" 1
431 1 30 LYS H 1 30 LYS QB 2.500 . 3.000 2.270 1.981 2.568 . 0 0 "[ . 1 . 2]" 1
432 1 69 GLU H 1 69 GLU QG 2.500 . 3.000 2.746 2.438 3.001 0.001 17 0 "[ . 1 . 2]" 1
433 1 29 GLU H 1 29 GLU QB 2.500 . 3.000 2.008 1.924 2.184 . 0 0 "[ . 1 . 2]" 1
434 1 70 ALA H 1 71 ALA H 2.500 . 3.000 2.945 2.355 3.022 0.022 8 0 "[ . 1 . 2]" 1
435 1 19 GLU QB 1 20 LYS H 2.500 . 3.000 2.574 2.073 3.161 0.161 15 0 "[ . 1 . 2]" 1
436 1 43 GLN H 1 43 GLN HB2 2.500 . 3.000 2.202 2.067 2.947 . 0 0 "[ . 1 . 2]" 1
437 1 23 LYS H 1 23 LYS QB 2.500 . 3.000 2.633 2.336 3.030 0.030 16 0 "[ . 1 . 2]" 1
438 1 93 PHE H 1 94 GLY H 2.500 . 3.000 2.298 1.836 2.895 . 0 0 "[ . 1 . 2]" 1
439 1 68 GLN H 1 68 GLN QB 2.500 . 3.000 2.176 1.951 2.422 . 0 0 "[ . 1 . 2]" 1
440 1 36 ARG H 1 36 ARG HB2 2.500 . 3.000 2.479 2.277 3.366 0.366 9 0 "[ . 1 . 2]" 1
441 1 89 VAL H 1 89 VAL HB 3.000 . 3.500 3.581 3.565 3.613 0.113 4 0 "[ . 1 . 2]" 1
442 1 9 ASN H 1 10 ALA H 3.000 . 3.500 2.557 1.902 3.513 0.013 19 0 "[ . 1 . 2]" 1
443 1 67 PHE H 1 68 GLN H 3.000 . 3.500 2.953 2.760 3.236 . 0 0 "[ . 1 . 2]" 1
444 1 34 GLY H 1 35 MET H 3.000 . 3.500 1.975 1.792 2.330 0.008 14 0 "[ . 1 . 2]" 1
445 1 41 ALA H 1 42 ALA H 3.000 . 3.500 2.774 2.545 3.039 . 0 0 "[ . 1 . 2]" 1
446 1 88 PRO HA 1 89 VAL H 3.000 . 3.500 2.523 2.429 2.620 . 0 0 "[ . 1 . 2]" 1
447 1 44 TYR H 1 45 SER H 3.000 . 3.500 2.810 2.468 3.033 . 0 0 "[ . 1 . 2]" 1
448 1 15 HIS H 1 15 HIS HD2 3.000 . 3.500 2.451 1.852 3.506 0.006 1 0 "[ . 1 . 2]" 1
449 1 39 GLU H 1 40 VAL H 3.000 . 3.500 2.765 2.600 2.963 . 0 0 "[ . 1 . 2]" 1
450 1 103 ARG QB 1 104 LYS H 3.000 . 3.500 2.795 1.975 3.457 . 0 0 "[ . 1 . 2]" 1
451 1 30 LYS H 1 30 LYS QG 3.000 . 3.500 2.501 1.819 3.627 0.127 19 0 "[ . 1 . 2]" 1
452 1 90 LYS H 1 90 LYS HB2 3.000 . 3.500 2.542 2.101 2.910 . 0 0 "[ . 1 . 2]" 1
453 1 28 MET H 1 28 MET HB3 3.000 . 3.500 3.262 1.985 3.550 0.050 7 0 "[ . 1 . 2]" 1
454 1 23 LYS H 1 24 ILE H 3.000 . 3.500 2.171 1.849 2.756 . 0 0 "[ . 1 . 2]" 1
455 1 55 LEU H 1 56 GLY H 3.000 . 3.500 2.895 2.614 3.415 . 0 0 "[ . 1 . 2]" 1
456 1 73 ALA H 1 74 LEU H 3.000 . 3.500 2.551 1.952 2.902 . 0 0 "[ . 1 . 2]" 1
457 1 26 GLU H 1 26 GLU HB3 3.000 . 3.500 3.040 2.575 3.235 . 0 0 "[ . 1 . 2]" 1
458 1 60 ARG H 1 60 ARG QB 3.000 . 3.500 2.038 1.925 2.202 . 0 0 "[ . 1 . 2]" 1
459 1 69 GLU QB 1 70 ALA H 3.000 . 3.500 2.766 2.016 3.478 . 0 0 "[ . 1 . 2]" 1
460 1 45 SER H 1 45 SER QB 3.000 . 3.500 2.239 2.058 2.500 . 0 0 "[ . 1 . 2]" 1
461 1 71 ALA H 1 72 PHE H 3.000 . 3.500 3.172 2.329 3.426 . 0 0 "[ . 1 . 2]" 1
462 1 28 MET H 1 28 MET HB2 3.000 . 3.500 2.294 2.001 3.288 . 0 0 "[ . 1 . 2]" 1
463 1 37 PHE H 1 37 PHE QB 3.000 . 3.500 2.088 1.981 2.240 . 0 0 "[ . 1 . 2]" 1
464 1 37 PHE QB 1 38 ASN H 3.000 . 3.500 2.728 2.542 3.013 . 0 0 "[ . 1 . 2]" 1
465 1 36 ARG H 1 36 ARG QG 3.000 . 3.500 2.245 1.790 2.730 0.010 9 0 "[ . 1 . 2]" 1
466 1 101 GLU H 1 102 GLY H 3.000 . 3.500 3.606 3.538 3.774 0.274 16 0 "[ . 1 . 2]" 1
467 1 69 GLU H 1 70 ALA H 3.000 . 3.500 2.916 2.550 3.390 . 0 0 "[ . 1 . 2]" 1
468 1 26 GLU H 1 26 GLU HB2 3.000 . 3.500 2.017 1.941 2.243 . 0 0 "[ . 1 . 2]" 1
469 1 40 VAL H 1 41 ALA H 3.000 . 3.500 2.848 2.552 3.230 . 0 0 "[ . 1 . 2]" 1
470 1 39 GLU H 1 39 GLU QG 3.000 . 3.500 2.122 1.811 3.222 . 0 0 "[ . 1 . 2]" 1
471 1 39 GLU QB 1 40 VAL H 3.000 . 3.500 2.300 2.011 3.129 . 0 0 "[ . 1 . 2]" 1
472 1 100 VAL H 1 100 VAL HB 3.000 . 3.500 2.433 2.109 3.079 . 0 0 "[ . 1 . 2]" 1
473 1 54 ASP H 1 54 ASP HB2 3.000 . 3.500 2.626 2.001 3.543 0.043 8 0 "[ . 1 . 2]" 1
474 1 30 LYS QB 1 31 LEU H 3.000 . 3.500 2.109 1.977 2.359 . 0 0 "[ . 1 . 2]" 1
475 1 56 GLY H 1 56 GLY HA3 3.000 . 3.500 2.971 2.922 2.998 . 0 0 "[ . 1 . 2]" 1
476 1 90 LYS H 1 90 LYS HB3 3.000 . 3.500 2.626 2.222 2.998 . 0 0 "[ . 1 . 2]" 1
477 1 72 PHE H 1 72 PHE HB3 3.000 . 3.500 3.208 1.998 3.531 0.031 16 0 "[ . 1 . 2]" 1
478 1 25 MET H 1 25 MET QB 3.000 . 3.500 2.210 1.991 2.916 . 0 0 "[ . 1 . 2]" 1
479 1 32 LYS H 1 33 SER H 3.000 . 3.500 2.792 2.402 3.078 . 0 0 "[ . 1 . 2]" 1
480 1 72 PHE H 1 73 ALA H 3.000 . 3.500 3.021 2.466 3.303 . 0 0 "[ . 1 . 2]" 1
481 1 43 GLN H 1 44 TYR H 3.000 . 3.500 2.480 2.289 2.643 . 0 0 "[ . 1 . 2]" 1
482 1 67 PHE HB2 1 68 GLN H 3.000 . 3.500 3.401 2.916 3.806 0.306 7 0 "[ . 1 . 2]" 1
483 1 98 ILE H 1 98 ILE HB 3.000 . 3.500 2.237 2.098 3.154 . 0 0 "[ . 1 . 2]" 1
484 1 77 SER HB3 1 78 GLY H 3.000 . 3.500 2.721 1.734 3.878 0.378 15 0 "[ . 1 . 2]" 1
485 1 30 LYS H 1 31 LEU H 3.000 . 3.500 3.223 3.055 3.337 . 0 0 "[ . 1 . 2]" 1
486 1 95 TYR H 1 95 TYR QD 3.000 . 3.500 3.015 2.142 3.536 0.036 17 0 "[ . 1 . 2]" 1
487 1 38 ASN H 1 39 GLU H 3.000 . 3.000 2.428 2.344 2.566 . 0 0 "[ . 1 . 2]" 1
488 1 29 GLU H 1 30 LYS H 3.000 . 3.500 2.850 2.704 3.151 . 0 0 "[ . 1 . 2]" 1
489 1 57 TRP H 1 57 TRP HB2 3.000 . 3.500 2.185 2.099 2.243 . 0 0 "[ . 1 . 2]" 1
490 1 42 ALA H 1 43 GLN H 3.000 . 3.500 3.200 3.026 3.338 . 0 0 "[ . 1 . 2]" 1
491 1 54 ASP H 1 54 ASP HB3 3.000 . 3.500 2.823 2.327 3.600 0.100 12 0 "[ . 1 . 2]" 1
492 1 32 LYS H 1 32 LYS HB3 3.000 . 3.500 2.973 1.905 3.490 . 0 0 "[ . 1 . 2]" 1
493 1 74 LEU H 1 74 LEU HB2 3.000 . 3.500 2.368 2.050 3.584 0.084 14 0 "[ . 1 . 2]" 1
494 1 67 PHE H 1 67 PHE HB2 3.000 . 3.500 2.074 1.971 2.237 . 0 0 "[ . 1 . 2]" 1
495 1 29 GLU H 1 29 GLU QG 3.000 . 3.500 3.095 2.372 3.555 0.055 19 0 "[ . 1 . 2]" 1
496 1 103 ARG H 1 103 ARG QB 3.000 . 3.500 2.675 2.107 3.407 . 0 0 "[ . 1 . 2]" 1
497 1 33 SER HA 1 33 SER HG 3.000 . 3.500 3.425 2.979 3.528 0.028 13 0 "[ . 1 . 2]" 1
498 1 96 HIS H 1 96 HIS HD2 3.000 . 3.500 2.653 1.799 3.529 0.029 11 0 "[ . 1 . 2]" 1
499 1 46 GLU H 1 47 ASP H 3.000 . 3.500 3.096 1.827 3.623 0.123 9 0 "[ . 1 . 2]" 1
500 1 44 TYR H 1 44 TYR QD 3.000 . 3.000 1.832 1.718 1.978 0.082 9 0 "[ . 1 . 2]" 1
501 1 29 GLU QB 1 30 LYS H 3.000 . 3.500 2.238 2.060 2.380 . 0 0 "[ . 1 . 2]" 1
502 1 84 PHE HB2 1 85 THR H 3.000 . 3.500 2.698 1.868 3.309 . 0 0 "[ . 1 . 2]" 1
503 1 72 PHE H 1 72 PHE HB2 3.000 . 3.500 2.091 1.962 2.995 . 0 0 "[ . 1 . 2]" 1
504 1 27 ALA H 1 28 MET H 3.000 . 3.500 2.343 2.242 2.517 . 0 0 "[ . 1 . 2]" 1
505 1 10 ALA H 1 10 ALA HA 3.000 . 3.500 2.979 2.948 2.995 . 0 0 "[ . 1 . 2]" 1
506 1 36 ARG HB3 1 38 ASN H 3.000 . 3.500 3.358 3.002 3.633 0.133 9 0 "[ . 1 . 2]" 1
507 1 35 MET QB 1 36 ARG H 3.000 . 3.500 2.040 1.781 2.927 0.019 14 0 "[ . 1 . 2]" 1
508 1 43 GLN H 1 43 GLN HB3 3.000 . 3.500 3.219 2.088 3.542 0.042 10 0 "[ . 1 . 2]" 1
509 1 19 GLU H 1 20 LYS H 3.000 . 3.500 3.031 2.424 3.591 0.091 17 0 "[ . 1 . 2]" 1
510 1 80 ASP H 1 81 LYS H 3.000 . 3.500 2.813 1.906 3.543 0.043 2 0 "[ . 1 . 2]" 1
511 1 36 ARG H 1 36 ARG HB3 3.000 . 3.500 3.524 3.257 3.644 0.144 8 0 "[ . 1 . 2]" 1
512 1 32 LYS H 1 33 SER HG 3.000 . 3.500 3.450 3.186 3.559 0.059 16 0 "[ . 1 . 2]" 1
513 1 57 TRP HZ3 1 104 LYS H 3.000 . 3.500 3.031 1.995 3.576 0.076 16 0 "[ . 1 . 2]" 1
514 1 74 LEU H 1 74 LEU HB3 3.000 . 3.500 3.414 2.412 3.591 0.091 18 0 "[ . 1 . 2]" 1
515 1 44 TYR HA 1 45 SER H 3.000 . 3.500 3.497 3.459 3.545 0.045 5 0 "[ . 1 . 2]" 1
516 1 55 LEU H 1 55 LEU HB2 3.000 . 3.500 2.338 2.048 3.168 . 0 0 "[ . 1 . 2]" 1
517 1 46 GLU H 1 46 GLU QG 3.000 . 3.500 3.295 1.850 3.834 0.334 10 0 "[ . 1 . 2]" 1
518 1 67 PHE H 1 67 PHE HB3 3.000 . 3.500 2.976 2.653 3.459 . 0 0 "[ . 1 . 2]" 1
519 1 79 MET H 1 79 MET HB3 3.000 . 3.500 3.538 2.625 3.836 0.336 4 0 "[ . 1 . 2]" 1
520 1 20 LYS H 1 20 LYS HG3 3.000 . 3.500 2.599 1.968 3.535 0.035 17 0 "[ . 1 . 2]" 1
521 1 12 LYS QD 1 13 VAL H 3.000 . 3.500 3.267 2.877 3.540 0.040 13 0 "[ . 1 . 2]" 1
522 1 40 VAL MG1 1 41 ALA H 3.000 . 3.500 3.622 1.943 3.807 0.307 2 0 "[ . 1 . 2]" 1
523 1 72 PHE H 1 72 PHE QD 3.000 . 3.500 3.036 2.239 3.558 0.058 7 0 "[ . 1 . 2]" 1
524 1 81 LYS H 1 81 LYS HB2 3.000 . 3.500 3.064 2.117 3.673 0.173 8 0 "[ . 1 . 2]" 1
525 1 93 PHE H 1 93 PHE HB3 3.000 . 3.500 3.380 2.953 3.567 0.067 9 0 "[ . 1 . 2]" 1
526 1 55 LEU H 1 55 LEU HB3 3.000 . 3.500 3.252 1.913 3.545 0.045 3 0 "[ . 1 . 2]" 1
527 1 83 VAL QG 1 85 THR H 3.000 . 3.500 2.452 1.763 3.193 0.037 18 0 "[ . 1 . 2]" 1
528 1 81 LYS H 1 82 PRO HD3 3.000 . 3.500 2.734 1.962 3.378 . 0 0 "[ . 1 . 2]" 1
529 1 20 LYS H 1 20 LYS HG2 3.000 . 3.500 2.654 1.856 3.529 0.029 20 0 "[ . 1 . 2]" 1
530 1 9 ASN HA 1 10 ALA H 3.000 . 3.500 3.192 2.245 3.567 0.067 10 0 "[ . 1 . 2]" 1
531 1 31 LEU H 1 32 LYS H 3.000 . 3.500 2.912 2.785 3.074 . 0 0 "[ . 1 . 2]" 1
532 1 72 PHE HA 1 73 ALA H 3.000 . 3.500 3.515 2.826 3.578 0.078 6 0 "[ . 1 . 2]" 1
533 1 26 GLU H 1 28 MET H 3.000 . 3.500 3.759 3.623 3.838 0.338 19 0 "[ . 1 . 2]" 1
534 1 25 MET QB 1 26 GLU H 3.000 . 3.500 2.748 2.270 3.339 . 0 0 "[ . 1 . 2]" 1
535 1 77 SER HB2 1 83 VAL H 3.000 . 3.500 3.090 1.883 3.574 0.074 17 0 "[ . 1 . 2]" 1
536 1 44 TYR H 1 44 TYR QB 3.000 . 3.500 2.408 2.262 2.542 . 0 0 "[ . 1 . 2]" 1
537 1 86 ASP H 1 86 ASP HB2 3.000 . 3.500 2.856 2.241 3.612 0.112 10 0 "[ . 1 . 2]" 1
538 1 46 GLU H 1 46 GLU QB 3.000 . 3.500 2.435 1.944 2.865 . 0 0 "[ . 1 . 2]" 1
539 1 26 GLU HB3 1 27 ALA H 3.000 . 3.500 2.975 2.659 3.179 . 0 0 "[ . 1 . 2]" 1
540 1 12 LYS H 1 12 LYS QB 3.000 . 3.500 2.108 1.969 2.214 . 0 0 "[ . 1 . 2]" 1
541 1 101 GLU H 1 101 GLU HB2 3.000 . 3.500 2.867 2.627 3.295 . 0 0 "[ . 1 . 2]" 1
542 1 83 VAL H 1 83 VAL QG 3.000 . 3.500 2.424 1.670 3.174 0.130 4 0 "[ . 1 . 2]" 1
543 1 55 LEU H 1 55 LEU HG 3.000 . 3.500 3.458 2.447 3.700 0.200 4 0 "[ . 1 . 2]" 1
544 1 81 LYS H 1 81 LYS HB3 3.000 . 3.500 3.196 2.052 3.654 0.154 10 0 "[ . 1 . 2]" 1
545 1 32 LYS H 1 32 LYS HB2 3.000 . 3.500 2.384 1.946 3.542 0.042 16 0 "[ . 1 . 2]" 1
546 1 85 THR HB 1 86 ASP H 3.000 . 3.500 3.539 3.229 3.613 0.113 2 0 "[ . 1 . 2]" 1
547 1 95 TYR H 1 95 TYR HB2 3.000 . 3.500 2.309 2.126 2.613 . 0 0 "[ . 1 . 2]" 1
548 1 11 VAL H 1 58 MET H 3.000 . 3.500 2.388 1.988 3.526 0.026 11 0 "[ . 1 . 2]" 1
549 1 28 MET H 1 29 GLU H 3.000 . 3.500 2.566 2.412 2.824 . 0 0 "[ . 1 . 2]" 1
550 1 15 HIS QB 1 16 ILE H 3.000 . 3.500 3.224 2.839 3.547 0.047 20 0 "[ . 1 . 2]" 1
551 1 12 LYS QB 1 102 GLY H 3.000 . 3.500 3.901 3.772 3.995 0.495 7 0 "[ . 1 . 2]" 1
552 1 84 PHE HB3 1 85 THR H 3.000 . 3.500 3.292 2.518 3.593 0.093 16 0 "[ . 1 . 2]" 1
553 1 26 GLU H 1 26 GLU QG 3.000 . 3.500 3.585 3.391 3.866 0.366 13 0 "[ . 1 . 2]" 1
554 1 12 LYS H 1 102 GLY H 3.000 . 3.500 3.562 2.986 3.804 0.304 13 0 "[ . 1 . 2]" 1
555 1 49 ALA H 1 49 ALA HA 3.000 . 3.500 2.732 2.355 3.005 . 0 0 "[ . 1 . 2]" 1
556 1 43 GLN QE 1 47 ASP H 3.000 . 3.500 3.690 3.541 3.836 0.336 9 0 "[ . 1 . 2]" 1
557 1 23 LYS QD 1 24 ILE H 3.000 . 3.500 3.353 2.959 3.515 0.015 10 0 "[ . 1 . 2]" 1
558 1 17 LEU H 1 17 LEU HG 3.000 . 3.500 3.349 2.242 3.798 0.298 8 0 "[ . 1 . 2]" 1
559 1 58 MET QB 1 59 THR H 3.000 . 3.500 3.302 2.892 3.562 0.062 4 0 "[ . 1 . 2]" 1
560 1 14 ARG H 1 14 ARG QB 3.000 . 3.500 2.579 2.332 3.042 . 0 0 "[ . 1 . 2]" 1
561 1 91 THR H 1 94 GLY H 3.000 . 3.500 3.285 2.746 3.525 0.025 4 0 "[ . 1 . 2]" 1
562 1 77 SER HB3 1 83 VAL H 3.000 . 3.500 3.255 2.271 3.573 0.073 16 0 "[ . 1 . 2]" 1
563 1 83 VAL H 1 83 VAL HB 3.000 . 3.500 2.705 1.946 3.544 0.044 16 0 "[ . 1 . 2]" 1
564 1 53 GLY H 1 54 ASP H 3.000 . 3.500 2.349 1.799 2.754 0.001 6 0 "[ . 1 . 2]" 1
565 1 90 LYS QG 1 91 THR H 3.000 . 3.500 2.475 2.033 3.115 . 0 0 "[ . 1 . 2]" 1
566 1 97 ILE MG 1 98 ILE H 3.000 . 3.500 2.941 2.291 3.305 . 0 0 "[ . 1 . 2]" 1
567 1 57 TRP H 1 57 TRP HB3 3.000 . 3.500 3.488 3.443 3.511 0.011 14 0 "[ . 1 . 2]" 1
568 1 79 MET H 1 79 MET HB2 3.000 . 3.500 3.117 2.704 3.795 0.295 19 0 "[ . 1 . 2]" 1
569 1 62 SER H 1 62 SER HB3 3.000 . 3.500 3.167 2.520 3.682 0.182 1 0 "[ . 1 . 2]" 1
570 1 43 GLN H 1 43 GLN HG2 3.000 . 3.500 3.719 3.550 4.467 0.967 18 1 "[ . 1 . + 2]" 1
571 1 85 THR MG 1 86 ASP H 3.000 . 3.500 2.748 2.168 3.559 0.059 18 0 "[ . 1 . 2]" 1
572 1 33 SER HB2 1 35 MET H 3.000 . 3.500 3.355 2.835 3.541 0.041 10 0 "[ . 1 . 2]" 1
573 1 48 LYS HA 1 49 ALA H 3.000 . 3.500 2.904 2.223 3.508 0.008 1 0 "[ . 1 . 2]" 1
574 1 93 PHE H 1 93 PHE HB2 3.000 . 3.500 2.737 2.062 3.295 . 0 0 "[ . 1 . 2]" 1
575 1 63 MET H 1 63 MET QB 3.000 . 3.500 2.357 1.916 2.863 . 0 0 "[ . 1 . 2]" 1
576 1 68 GLN QE 1 68 GLN HG3 3.000 . 3.500 2.893 2.257 3.400 . 0 0 "[ . 1 . 2]" 1
577 1 97 ILE H 1 97 ILE HB 3.000 . 3.500 2.467 2.352 2.651 . 0 0 "[ . 1 . 2]" 1
578 1 79 MET H 1 79 MET HA 3.000 . 3.500 2.354 2.317 2.387 . 0 0 "[ . 1 . 2]" 1
579 1 21 HIS QB 1 22 GLY H 3.000 . 3.500 3.560 3.508 3.683 0.183 18 0 "[ . 1 . 2]" 1
580 1 55 LEU H 1 55 LEU HA 3.000 . 3.500 2.777 2.730 2.898 . 0 0 "[ . 1 . 2]" 1
581 1 9 ASN QB 1 10 ALA H 3.000 . 3.500 3.142 1.865 3.744 0.244 14 0 "[ . 1 . 2]" 1
582 1 81 LYS H 1 82 PRO HD2 3.000 . 3.500 2.435 1.798 3.583 0.083 11 0 "[ . 1 . 2]" 1
583 1 36 ARG HB3 1 37 PHE H 3.000 . 3.500 3.257 2.855 3.551 0.051 15 0 "[ . 1 . 2]" 1
584 1 58 MET H 1 58 MET QB 3.000 . 3.500 2.530 2.407 2.640 . 0 0 "[ . 1 . 2]" 1
585 1 99 MET H 1 99 MET QG 3.000 . 3.500 3.164 1.888 3.523 0.023 16 0 "[ . 1 . 2]" 1
586 1 37 PHE H 1 38 ASN H 3.000 . 3.500 2.198 2.129 2.255 . 0 0 "[ . 1 . 2]" 1
587 1 18 CYS QB 1 20 LYS H 3.000 . 3.500 3.381 3.229 3.497 . 0 0 "[ . 1 . 2]" 1
588 1 38 ASN HA 1 41 ALA H 3.000 . 3.500 3.466 2.879 3.726 0.226 9 0 "[ . 1 . 2]" 1
589 1 47 ASP H 1 47 ASP HB3 4.000 . 5.000 3.452 2.992 3.890 . 0 0 "[ . 1 . 2]" 1
590 1 22 GLY H 1 23 LYS H 4.000 . 5.000 2.338 1.975 2.796 . 0 0 "[ . 1 . 2]" 1
591 1 10 ALA H 1 103 ARG QB 4.000 . 5.000 4.151 3.527 4.838 . 0 0 "[ . 1 . 2]" 1
592 1 43 GLN HB2 1 44 TYR H 4.000 . 5.000 3.066 2.761 3.651 . 0 0 "[ . 1 . 2]" 1
593 1 89 VAL H 1 96 HIS H 4.000 . 5.000 2.771 2.299 3.403 . 0 0 "[ . 1 . 2]" 1
594 1 35 MET QG 1 36 ARG H 4.000 . 5.000 2.907 1.817 4.461 . 0 0 "[ . 1 . 2]" 1
595 1 58 MET H 1 58 MET QG 4.000 . 5.000 3.771 3.237 4.312 . 0 0 "[ . 1 . 2]" 1
596 1 68 GLN QB 1 69 GLU H 4.000 . 5.000 2.555 2.074 3.390 . 0 0 "[ . 1 . 2]" 1
597 1 31 LEU HB2 1 32 LYS H 4.000 . 5.000 2.814 2.513 3.062 . 0 0 "[ . 1 . 2]" 1
598 1 17 LEU HG 1 18 CYS H 4.000 . 5.000 4.192 3.283 5.179 0.179 7 0 "[ . 1 . 2]" 1
599 1 16 ILE H 1 97 ILE H 4.000 . 5.000 2.432 1.787 3.072 0.013 12 0 "[ . 1 . 2]" 1
600 1 60 ARG H 1 72 PHE HZ 4.000 . 5.000 2.452 1.941 3.710 . 0 0 "[ . 1 . 2]" 1
601 1 14 ARG QB 1 15 HIS H 4.000 . 5.000 3.054 2.923 3.605 . 0 0 "[ . 1 . 2]" 1
602 1 79 MET H 1 79 MET HG3 4.000 . 5.000 4.578 3.728 5.074 0.074 19 0 "[ . 1 . 2]" 1
603 1 26 GLU HB2 1 27 ALA H 4.000 . 5.000 3.336 3.117 3.728 . 0 0 "[ . 1 . 2]" 1
604 1 99 MET H 1 99 MET HB3 4.000 . 5.000 2.751 2.048 3.788 . 0 0 "[ . 1 . 2]" 1
605 1 80 ASP QB 1 81 LYS H 4.000 . 5.000 3.812 3.338 4.089 . 0 0 "[ . 1 . 2]" 1
606 1 10 ALA H 1 57 TRP HE3 4.000 . 5.000 4.759 3.914 5.043 0.043 20 0 "[ . 1 . 2]" 1
607 1 62 SER H 1 63 MET H 4.000 . 5.000 2.801 1.970 4.091 . 0 0 "[ . 1 . 2]" 1
608 1 84 PHE H 1 84 PHE QD 4.000 . 5.000 2.907 1.987 4.012 . 0 0 "[ . 1 . 2]" 1
609 1 47 ASP H 1 47 ASP HB2 4.000 . 5.000 3.564 3.042 4.105 . 0 0 "[ . 1 . 2]" 1
610 1 19 GLU HA 1 20 LYS H 4.000 . 5.000 3.545 3.475 3.582 . 0 0 "[ . 1 . 2]" 1
611 1 88 PRO HB2 1 89 VAL H 4.000 . 5.000 4.305 4.262 4.330 . 0 0 "[ . 1 . 2]" 1
612 1 86 ASP H 1 86 ASP HB3 4.000 . 5.000 3.373 2.569 3.756 . 0 0 "[ . 1 . 2]" 1
613 1 8 GLY HA2 1 9 ASN H 4.000 . 5.000 2.718 2.237 3.570 . 0 0 "[ . 1 . 2]" 1
614 1 22 GLY HA2 1 23 LYS H 4.000 . 5.000 3.488 3.323 3.588 . 0 0 "[ . 1 . 2]" 1
615 1 91 THR H 1 96 HIS HD2 4.000 . 5.000 3.367 2.505 3.792 . 0 0 "[ . 1 . 2]" 1
616 1 16 ILE H 1 16 ILE QG 4.000 . 5.000 3.505 2.740 4.121 . 0 0 "[ . 1 . 2]" 1
617 1 11 VAL H 1 57 TRP HE3 4.000 . 5.000 2.935 2.053 4.710 . 0 0 "[ . 1 . 2]" 1
618 1 95 TYR H 1 95 TYR HB3 4.000 . 5.000 3.554 3.404 3.731 . 0 0 "[ . 1 . 2]" 1
619 1 40 VAL HA 1 41 ALA H 4.000 . 5.000 3.581 3.550 3.609 . 0 0 "[ . 1 . 2]" 1
620 1 97 ILE H 1 97 ILE HG13 4.000 . 5.000 2.221 1.828 2.563 . 0 0 "[ . 1 . 2]" 1
621 1 16 ILE MG 1 45 SER H 4.000 . 5.000 3.755 2.638 5.022 0.022 18 0 "[ . 1 . 2]" 1
622 1 92 LYS HA 1 93 PHE H 4.000 . 5.000 3.237 2.760 3.593 . 0 0 "[ . 1 . 2]" 1
623 1 16 ILE MD 1 41 ALA H 4.000 . 5.000 3.457 2.690 4.260 . 0 0 "[ . 1 . 2]" 1
624 1 57 TRP HH2 1 103 ARG H 4.000 . 5.000 3.637 3.032 4.292 . 0 0 "[ . 1 . 2]" 1
625 1 90 LYS HD2 1 91 THR H 4.000 . 5.000 4.456 2.853 5.479 0.479 19 0 "[ . 1 . 2]" 1
626 1 104 LYS H 1 104 LYS QG 4.000 . 5.000 3.020 1.886 3.988 . 0 0 "[ . 1 . 2]" 1
627 1 35 MET H 1 35 MET HG2 4.000 . 5.000 3.609 1.679 4.672 0.121 13 0 "[ . 1 . 2]" 1
628 1 55 LEU HA 1 56 GLY H 4.000 . 5.000 3.517 3.334 3.605 . 0 0 "[ . 1 . 2]" 1
629 1 71 ALA H 1 98 ILE MD 4.000 . 5.000 3.251 2.396 3.853 . 0 0 "[ . 1 . 2]" 1
630 1 18 CYS QB 1 19 GLU H 4.000 . 5.000 3.563 2.677 3.962 . 0 0 "[ . 1 . 2]" 1
631 1 82 PRO HB2 1 83 VAL H 4.000 . 5.000 2.195 1.853 3.250 . 0 0 "[ . 1 . 2]" 1
632 1 17 LEU HG 1 46 GLU H 4.000 . 5.000 4.355 3.110 5.176 0.176 8 0 "[ . 1 . 2]" 1
633 1 14 ARG H 1 99 MET H 4.000 . 5.000 2.215 1.928 2.591 . 0 0 "[ . 1 . 2]" 1
634 1 44 TYR QB 1 45 SER H 4.000 . 5.000 2.782 2.708 2.837 . 0 0 "[ . 1 . 2]" 1
635 1 19 GLU H 1 19 GLU QG 4.000 . 5.000 3.688 1.881 4.362 . 0 0 "[ . 1 . 2]" 1
636 1 17 LEU HG 1 47 ASP H 4.000 . 5.000 5.007 4.474 5.347 0.347 6 0 "[ . 1 . 2]" 1
637 1 64 VAL H 1 64 VAL HB 4.000 . 5.000 3.337 2.640 3.869 . 0 0 "[ . 1 . 2]" 1
638 1 18 CYS H 1 95 TYR H 4.000 . 5.000 3.945 2.969 4.627 . 0 0 "[ . 1 . 2]" 1
639 1 67 PHE H 1 91 THR MG 4.000 . 5.000 3.495 2.911 4.076 . 0 0 "[ . 1 . 2]" 1
640 1 43 GLN HB3 1 44 TYR H 4.000 . 5.000 2.820 2.113 3.637 . 0 0 "[ . 1 . 2]" 1
641 1 31 LEU HA 1 32 LYS H 4.000 . 5.000 3.556 3.537 3.585 . 0 0 "[ . 1 . 2]" 1
642 1 17 LEU QB 1 18 CYS H 4.000 . 5.000 3.291 2.685 3.877 . 0 0 "[ . 1 . 2]" 1
643 1 89 VAL HB 1 96 HIS H 4.000 . 5.000 5.056 4.925 5.214 0.214 7 0 "[ . 1 . 2]" 1
644 1 45 SER H 1 49 ALA MB 4.000 . 5.000 4.950 4.177 5.324 0.324 5 0 "[ . 1 . 2]" 1
645 1 23 LYS H 1 23 LYS QG 4.000 . 5.000 2.507 1.967 3.283 . 0 0 "[ . 1 . 2]" 1
646 1 10 ALA H 1 11 VAL H 4.000 . 5.000 4.383 3.973 4.554 . 0 0 "[ . 1 . 2]" 1
647 1 20 LYS QB 1 22 GLY H 4.000 . 5.000 2.765 2.334 3.855 . 0 0 "[ . 1 . 2]" 1
648 1 37 PHE HA 1 38 ASN H 4.000 . 5.000 3.535 3.517 3.562 . 0 0 "[ . 1 . 2]" 1
649 1 32 LYS HB3 1 33 SER HG 4.000 . 5.000 4.117 3.529 4.713 . 0 0 "[ . 1 . 2]" 1
650 1 95 TYR HB3 1 96 HIS H 4.000 . 5.000 3.556 3.072 4.106 . 0 0 "[ . 1 . 2]" 1
651 1 10 ALA MB 1 104 LYS H 4.000 . 5.000 3.543 2.385 4.762 . 0 0 "[ . 1 . 2]" 1
652 1 41 ALA MB 1 45 SER H 4.000 . 5.000 4.447 3.891 4.863 . 0 0 "[ . 1 . 2]" 1
653 1 33 SER HB2 1 34 GLY H 4.000 . 5.000 2.742 2.062 3.359 . 0 0 "[ . 1 . 2]" 1
654 1 39 GLU HA 1 40 VAL H 4.000 . 5.000 3.581 3.536 3.620 . 0 0 "[ . 1 . 2]" 1
655 1 58 MET QG 1 59 THR H 4.000 . 5.000 3.717 2.231 4.436 . 0 0 "[ . 1 . 2]" 1
656 1 93 PHE HB3 1 94 GLY H 4.000 . 5.000 3.058 1.863 4.319 . 0 0 "[ . 1 . 2]" 1
657 1 39 GLU H 1 40 VAL MG1 4.000 . 5.000 4.315 3.222 5.058 0.058 18 0 "[ . 1 . 2]" 1
658 1 12 LYS QD 1 101 GLU H 4.000 . 5.000 4.554 3.878 4.768 . 0 0 "[ . 1 . 2]" 1
659 1 36 ARG QG 1 37 PHE H 4.000 . 5.000 4.235 4.120 4.608 . 0 0 "[ . 1 . 2]" 1
660 1 59 THR H 1 63 MET QB 4.000 . 5.000 4.943 4.447 5.021 0.021 12 0 "[ . 1 . 2]" 1
661 1 16 ILE QG 1 41 ALA H 4.000 . 5.000 4.470 4.047 4.848 . 0 0 "[ . 1 . 2]" 1
662 1 23 LYS HA 1 24 ILE H 4.000 . 5.000 3.440 3.367 3.508 . 0 0 "[ . 1 . 2]" 1
663 1 24 ILE MG 1 26 GLU H 4.000 . 5.000 3.974 3.781 4.397 . 0 0 "[ . 1 . 2]" 1
664 1 63 MET QB 1 64 VAL H 4.000 . 5.000 2.612 1.857 3.954 . 0 0 "[ . 1 . 2]" 1
665 1 41 ALA HA 1 42 ALA H 4.000 . 5.000 3.533 3.481 3.583 . 0 0 "[ . 1 . 2]" 1
666 1 90 LYS HA 1 96 HIS H 4.000 . 5.000 3.692 3.302 3.990 . 0 0 "[ . 1 . 2]" 1
667 1 26 GLU HA 1 27 ALA H 4.000 . 5.000 3.482 3.468 3.506 . 0 0 "[ . 1 . 2]" 1
668 1 15 HIS H 1 53 GLY HA3 4.000 . 5.000 4.075 1.865 5.235 0.235 20 0 "[ . 1 . 2]" 1
669 1 24 ILE HA 1 27 ALA H 3.000 . 3.500 3.558 3.437 3.640 0.140 14 0 "[ . 1 . 2]" 1
670 1 38 ASN H 1 40 VAL H 4.000 . 5.000 4.249 3.946 4.540 . 0 0 "[ . 1 . 2]" 1
671 1 39 GLU QG 1 40 VAL H 4.000 . 5.000 3.596 1.989 4.291 . 0 0 "[ . 1 . 2]" 1
672 1 17 LEU H 1 46 GLU H 4.000 . 5.000 3.178 1.964 4.238 . 0 0 "[ . 1 . 2]" 1
673 1 16 ILE H 1 16 ILE MG 4.000 . 5.000 3.384 2.751 3.849 . 0 0 "[ . 1 . 2]" 1
674 1 14 ARG H 1 98 ILE MG 4.000 . 5.000 3.636 3.163 3.959 . 0 0 "[ . 1 . 2]" 1
675 1 98 ILE H 1 98 ILE MD 4.000 . 5.000 3.714 3.464 4.036 . 0 0 "[ . 1 . 2]" 1
676 1 63 MET H 1 63 MET QG 4.000 . 5.000 3.605 1.873 4.209 . 0 0 "[ . 1 . 2]" 1
677 1 25 MET HA 1 26 GLU H 4.000 . 5.000 3.520 3.467 3.556 . 0 0 "[ . 1 . 2]" 1
678 1 41 ALA HA 1 44 TYR H 4.000 . 5.000 4.579 4.000 5.034 0.034 1 0 "[ . 1 . 2]" 1
679 1 66 PRO QG 1 67 PHE H 4.000 . 5.000 3.023 2.728 3.274 . 0 0 "[ . 1 . 2]" 1
680 1 11 VAL H 1 11 VAL HB 4.000 . 5.000 3.834 3.557 3.943 . 0 0 "[ . 1 . 2]" 1
681 1 41 ALA MB 1 53 GLY H 4.000 . 5.000 3.215 1.853 4.209 . 0 0 "[ . 1 . 2]" 1
682 1 97 ILE HG13 1 98 ILE H 4.000 . 5.000 5.251 5.086 5.362 0.362 4 0 "[ . 1 . 2]" 1
683 1 67 PHE HA 1 68 GLN H 4.000 . 5.000 3.574 3.550 3.595 . 0 0 "[ . 1 . 2]" 1
684 1 71 ALA HA 1 72 PHE H 4.000 . 5.000 3.578 3.544 3.596 . 0 0 "[ . 1 . 2]" 1
685 1 84 PHE QD 1 85 THR H 4.000 . 5.000 4.271 3.747 4.705 . 0 0 "[ . 1 . 2]" 1
686 1 55 LEU HB2 1 56 GLY H 4.000 . 5.000 3.123 2.223 4.549 . 0 0 "[ . 1 . 2]" 1
687 1 77 SER H 1 77 SER HB2 4.000 . 5.000 3.445 3.053 4.082 . 0 0 "[ . 1 . 2]" 1
688 1 30 LYS HA 1 31 LEU H 4.000 . 5.000 3.583 3.557 3.617 . 0 0 "[ . 1 . 2]" 1
689 1 99 MET HB3 1 100 VAL H 4.000 . 5.000 4.422 3.774 4.687 . 0 0 "[ . 1 . 2]" 1
690 1 102 GLY H 1 103 ARG QB 4.000 . 5.000 4.331 3.303 4.948 . 0 0 "[ . 1 . 2]" 1
691 1 32 LYS HA 1 34 GLY H 4.000 . 5.000 4.381 3.929 5.048 0.048 14 0 "[ . 1 . 2]" 1
692 1 36 ARG H 1 37 PHE H 4.000 . 5.000 4.590 4.510 4.686 . 0 0 "[ . 1 . 2]" 1
693 1 97 ILE H 1 97 ILE HG12 4.000 . 5.000 3.356 3.015 3.662 . 0 0 "[ . 1 . 2]" 1
694 1 101 GLU H 1 101 GLU HG3 4.000 . 5.000 4.602 4.287 4.943 . 0 0 "[ . 1 . 2]" 1
695 1 68 GLN HG2 1 69 GLU H 4.000 . 5.000 3.897 2.011 5.005 0.005 3 0 "[ . 1 . 2]" 1
696 1 99 MET QG 1 100 VAL H 4.000 . 5.000 3.751 3.210 4.576 . 0 0 "[ . 1 . 2]" 1
697 1 27 ALA HA 1 30 LYS H 4.000 . 5.000 4.133 3.837 4.565 . 0 0 "[ . 1 . 2]" 1
698 1 101 GLU H 1 101 GLU HB3 4.000 . 5.000 3.158 2.744 3.473 . 0 0 "[ . 1 . 2]" 1
699 1 72 PHE HA 1 74 LEU H 4.000 . 5.000 4.277 3.754 5.000 . 0 0 "[ . 1 . 2]" 1
700 1 76 VAL HB 1 77 SER H 4.000 . 5.000 3.305 1.898 4.587 . 0 0 "[ . 1 . 2]" 1
701 1 35 MET H 1 40 VAL MG1 4.000 . 5.000 5.126 5.043 5.213 0.213 9 0 "[ . 1 . 2]" 1
702 1 67 PHE QD 1 68 GLN H 4.000 . 5.000 4.023 3.144 4.610 . 0 0 "[ . 1 . 2]" 1
703 1 17 LEU QB 1 47 ASP H 4.000 . 5.000 4.559 3.328 5.037 0.037 8 0 "[ . 1 . 2]" 1
704 1 13 VAL HB 1 14 ARG H 4.000 . 5.000 3.748 2.843 4.494 . 0 0 "[ . 1 . 2]" 1
705 1 79 MET H 1 79 MET HG2 4.000 . 5.000 4.524 3.592 4.953 . 0 0 "[ . 1 . 2]" 1
706 1 12 LYS H 1 57 TRP HZ3 4.000 . 5.000 4.178 2.645 5.064 0.064 9 0 "[ . 1 . 2]" 1
707 1 62 SER H 1 62 SER HB2 4.000 . 5.000 2.554 2.017 3.447 . 0 0 "[ . 1 . 2]" 1
708 1 55 LEU H 1 55 LEU QD 4.000 . 5.000 2.284 1.665 3.598 0.135 8 0 "[ . 1 . 2]" 1
709 1 8 GLY HA2 1 10 ALA H 4.000 . 5.000 4.053 3.060 5.396 0.396 4 0 "[ . 1 . 2]" 1
710 1 28 MET H 1 28 MET QG 4.000 . 5.000 2.845 1.848 3.867 . 0 0 "[ . 1 . 2]" 1
711 1 53 GLY HA3 1 54 ASP H 4.000 . 5.000 3.237 2.656 3.568 . 0 0 "[ . 1 . 2]" 1
712 1 36 ARG HA 1 38 ASN H 4.000 . 5.000 3.829 3.564 4.105 . 0 0 "[ . 1 . 2]" 1
713 1 69 GLU QG 1 70 ALA H 4.000 . 5.000 3.975 1.861 4.472 . 0 0 "[ . 1 . 2]" 1
714 1 96 HIS HB3 1 97 ILE H 4.000 . 5.000 3.726 3.172 4.232 . 0 0 "[ . 1 . 2]" 1
715 1 57 TRP HE3 1 58 MET H 4.000 . 5.000 2.964 2.401 3.997 . 0 0 "[ . 1 . 2]" 1
716 1 12 LYS H 1 103 ARG HA 4.000 . 5.000 3.959 3.779 4.284 . 0 0 "[ . 1 . 2]" 1
717 1 37 PHE QD 1 38 ASN H 4.000 . 5.000 4.386 2.614 4.654 . 0 0 "[ . 1 . 2]" 1
718 1 33 SER HG 1 35 MET H 4.000 . 5.000 3.771 3.135 5.019 0.019 16 0 "[ . 1 . 2]" 1
719 1 27 ALA HA 1 28 MET H 4.000 . 5.000 3.507 3.475 3.528 . 0 0 "[ . 1 . 2]" 1
720 1 38 ASN HA 1 39 GLU H 4.000 . 5.000 3.580 3.542 3.614 . 0 0 "[ . 1 . 2]" 1
721 1 12 LYS HG2 1 13 VAL H 4.000 . 5.000 5.018 4.401 5.419 0.419 4 0 "[ . 1 . 2]" 1
722 1 84 PHE H 1 84 PHE HB3 4.000 . 5.000 3.514 3.248 3.810 . 0 0 "[ . 1 . 2]" 1
723 1 57 TRP H 1 58 MET H 4.000 . 5.000 4.651 4.506 4.739 . 0 0 "[ . 1 . 2]" 1
724 1 36 ARG HB2 1 38 ASN H 4.000 . 5.000 4.407 2.905 4.954 . 0 0 "[ . 1 . 2]" 1
725 1 8 GLY HA3 1 9 ASN H 4.000 . 5.000 2.754 2.193 3.588 . 0 0 "[ . 1 . 2]" 1
726 1 79 MET H 1 97 ILE HB 4.000 . 5.000 5.039 4.824 5.129 0.129 12 0 "[ . 1 . 2]" 1
727 1 97 ILE H 1 97 ILE MD 4.000 . 5.000 3.689 3.460 3.854 . 0 0 "[ . 1 . 2]" 1
728 1 72 PHE HB3 1 73 ALA H 4.000 . 5.000 2.801 2.072 4.250 . 0 0 "[ . 1 . 2]" 1
729 1 37 PHE H 1 37 PHE QD 4.000 . 5.000 3.271 2.073 4.159 . 0 0 "[ . 1 . 2]" 1
730 1 59 THR H 1 62 SER HB3 4.000 . 5.000 4.570 2.636 5.934 0.934 20 4 "[ . *1* - +]" 1
731 1 71 ALA H 1 73 ALA H 4.000 . 5.000 4.399 3.364 5.010 0.010 5 0 "[ . 1 . 2]" 1
732 1 101 GLU HB2 1 102 GLY H 4.000 . 5.000 4.608 4.450 4.680 . 0 0 "[ . 1 . 2]" 1
733 1 29 GLU QG 1 30 LYS H 4.000 . 5.000 4.137 3.997 4.254 . 0 0 "[ . 1 . 2]" 1
734 1 92 LYS HG3 1 93 PHE H 4.000 . 5.000 4.462 2.798 5.616 0.616 14 2 "[ . 1 +- 2]" 1
735 1 32 LYS HB2 1 33 SER HG 4.000 . 5.000 4.133 3.543 5.163 0.163 17 0 "[ . 1 . 2]" 1
736 1 100 VAL HB 1 101 GLU H 4.000 . 6.000 4.171 3.893 4.435 . 0 0 "[ . 1 . 2]" 1
737 1 12 LYS HG3 1 13 VAL H 4.000 . 6.000 4.708 3.735 5.714 . 0 0 "[ . 1 . 2]" 1
738 1 11 VAL QG 1 58 MET H 4.000 . 6.000 3.229 2.895 3.709 . 0 0 "[ . 1 . 2]" 1
739 1 57 TRP HZ3 1 103 ARG H 4.000 . 6.000 4.166 1.929 4.666 . 0 0 "[ . 1 . 2]" 1
740 1 92 LYS HG2 1 93 PHE H 4.000 . 6.000 4.513 1.869 5.789 . 0 0 "[ . 1 . 2]" 1
741 1 36 ARG HB2 1 37 PHE H 4.000 . 6.000 4.029 3.064 4.360 . 0 0 "[ . 1 . 2]" 1
742 1 62 SER HB3 1 63 MET H 4.000 . 6.000 3.728 1.971 4.512 . 0 0 "[ . 1 . 2]" 1
743 1 72 PHE HB2 1 73 ALA H 4.000 . 6.000 3.152 2.326 4.452 . 0 0 "[ . 1 . 2]" 1
744 1 71 ALA HA 1 74 LEU H 4.000 . 6.000 3.537 2.992 4.140 . 0 0 "[ . 1 . 2]" 1
745 1 90 LYS HB2 1 91 THR H 4.000 . 6.000 4.287 3.983 4.582 . 0 0 "[ . 1 . 2]" 1
746 1 90 LYS H 1 90 LYS QG 4.000 . 6.000 3.930 3.692 4.077 . 0 0 "[ . 1 . 2]" 1
747 1 43 GLN H 1 45 SER H 4.000 . 6.000 3.862 3.662 4.058 . 0 0 "[ . 1 . 2]" 1
748 1 57 TRP HB3 1 58 MET H 4.000 . 6.000 3.297 2.772 3.759 . 0 0 "[ . 1 . 2]" 1
749 1 66 PRO HB3 1 67 PHE H 4.000 . 6.000 3.972 3.573 4.203 . 0 0 "[ . 1 . 2]" 1
750 1 36 ARG H 1 36 ARG QD 4.000 . 6.000 2.553 1.788 3.138 0.012 9 0 "[ . 1 . 2]" 1
751 1 65 GLY HA2 1 68 GLN H 4.000 . 6.000 4.203 3.868 5.047 . 0 0 "[ . 1 . 2]" 1
752 1 45 SER QB 1 46 GLU H 4.000 . 6.000 3.145 2.160 4.026 . 0 0 "[ . 1 . 2]" 1
753 1 12 LYS QD 1 58 MET H 4.000 . 6.000 4.865 4.085 5.702 . 0 0 "[ . 1 . 2]" 1
754 1 17 LEU H 1 43 GLN QE 4.000 . 6.000 6.169 5.307 6.409 0.409 13 0 "[ . 1 . 2]" 1
755 1 16 ILE H 1 16 ILE MD 4.000 . 6.000 4.245 3.681 4.627 . 0 0 "[ . 1 . 2]" 1
756 1 21 HIS H 1 95 TYR QD 4.000 . 6.000 5.895 4.572 6.060 0.060 13 0 "[ . 1 . 2]" 1
757 1 25 MET H 1 25 MET QG 3.000 . 3.500 3.088 1.777 3.731 0.231 19 0 "[ . 1 . 2]" 1
758 1 16 ILE MG 1 97 ILE H 4.000 . 6.000 2.813 1.789 4.274 0.011 2 0 "[ . 1 . 2]" 1
759 1 93 PHE HB2 1 94 GLY H 4.000 . 6.000 3.384 2.297 4.641 . 0 0 "[ . 1 . 2]" 1
760 1 71 ALA H 1 98 ILE MG 4.000 . 6.000 3.522 2.847 4.261 . 0 0 "[ . 1 . 2]" 1
761 1 66 PRO HD2 1 67 PHE H 4.000 . 6.000 2.884 2.668 3.365 . 0 0 "[ . 1 . 2]" 1
762 1 16 ILE MG 1 46 GLU H 4.000 . 6.000 4.592 3.874 5.548 . 0 0 "[ . 1 . 2]" 1
763 1 32 LYS HG3 1 33 SER HG 4.000 . 6.000 5.233 2.180 6.149 0.149 15 0 "[ . 1 . 2]" 1
764 1 17 LEU QB 1 46 GLU H 4.000 . 6.000 3.853 2.359 5.399 . 0 0 "[ . 1 . 2]" 1
765 1 31 LEU QD 1 37 PHE H 4.000 . 6.000 4.909 3.982 5.737 . 0 0 "[ . 1 . 2]" 1
766 1 11 VAL H 1 63 MET ME 4.000 . 6.000 4.626 3.529 5.355 . 0 0 "[ . 1 . 2]" 1
767 1 10 ALA H 1 104 LYS QG 4.000 . 6.000 4.224 2.281 5.550 . 0 0 "[ . 1 . 2]" 1
768 1 40 VAL MG1 1 44 TYR H 4.000 . 6.000 4.679 4.375 5.617 . 0 0 "[ . 1 . 2]" 1
769 1 38 ASN HA 1 42 ALA H 4.000 . 6.000 3.724 3.349 4.061 . 0 0 "[ . 1 . 2]" 1
770 1 15 HIS QB 1 55 LEU H 4.000 . 6.000 4.677 4.232 5.698 . 0 0 "[ . 1 . 2]" 1
771 1 99 MET H 1 100 VAL H 4.000 . 6.000 4.063 3.747 4.332 . 0 0 "[ . 1 . 2]" 1
772 1 40 VAL HA 1 44 TYR H 4.000 . 6.000 2.971 2.555 3.557 . 0 0 "[ . 1 . 2]" 1
773 1 15 HIS H 1 51 GLN QE 4.000 . 6.000 4.965 3.397 6.161 0.161 15 0 "[ . 1 . 2]" 1
774 1 78 GLY H 1 99 MET H 4.000 . 6.000 5.954 5.181 6.298 0.298 19 0 "[ . 1 . 2]" 1
775 1 8 GLY HA3 1 10 ALA H 4.000 . 6.000 4.567 3.025 5.947 . 0 0 "[ . 1 . 2]" 1
776 1 67 PHE H 1 89 VAL MG2 4.000 . 6.000 5.446 4.856 5.991 . 0 0 "[ . 1 . 2]" 1
777 1 20 LYS QB 1 21 HIS H 4.000 . 6.000 3.356 2.830 3.894 . 0 0 "[ . 1 . 2]" 1
778 1 58 MET H 1 59 THR H 4.000 . 6.000 4.341 4.245 4.416 . 0 0 "[ . 1 . 2]" 1
779 1 101 GLU H 1 101 GLU HG2 4.000 . 6.000 4.585 4.080 5.058 . 0 0 "[ . 1 . 2]" 1
780 1 69 GLU QB 1 71 ALA H 4.000 . 6.000 5.287 4.165 6.073 0.073 12 0 "[ . 1 . 2]" 1
781 1 83 VAL QG 1 86 ASP H 4.000 . 6.000 4.679 3.620 5.723 . 0 0 "[ . 1 . 2]" 1
782 1 11 VAL QG 1 104 LYS H 4.000 . 6.000 3.677 2.951 4.917 . 0 0 "[ . 1 . 2]" 1
783 1 95 TYR QD 1 96 HIS H 4.000 . 6.000 4.014 3.010 4.736 . 0 0 "[ . 1 . 2]" 1
784 1 38 ASN QB 1 39 GLU H 4.000 . 6.000 3.047 2.571 3.526 . 0 0 "[ . 1 . 2]" 1
785 1 21 HIS HA 1 22 GLY H 4.000 . 6.000 3.161 2.998 3.230 . 0 0 "[ . 1 . 2]" 1
786 1 102 GLY H 1 103 ARG H 4.000 . 6.000 3.260 2.198 3.926 . 0 0 "[ . 1 . 2]" 1
787 1 90 LYS H 1 95 TYR QD 4.000 . 6.000 3.894 2.741 5.086 . 0 0 "[ . 1 . 2]" 1
788 1 84 PHE H 1 84 PHE HB2 4.000 . 6.000 2.377 1.971 3.133 . 0 0 "[ . 1 . 2]" 1
789 1 78 GLY H 1 81 LYS H 4.000 . 6.000 5.435 3.968 6.027 0.027 16 0 "[ . 1 . 2]" 1
790 1 90 LYS H 1 91 THR H 4.000 . 6.000 4.549 4.258 4.620 . 0 0 "[ . 1 . 2]" 1
791 1 79 MET HA 1 81 LYS H 4.000 . 6.000 5.133 4.155 6.186 0.186 19 0 "[ . 1 . 2]" 1
792 1 40 VAL H 1 41 ALA MB 4.000 . 6.000 4.217 4.041 4.395 . 0 0 "[ . 1 . 2]" 1
793 1 60 ARG H 1 60 ARG HD3 4.000 . 6.000 4.915 3.773 5.899 . 0 0 "[ . 1 . 2]" 1
794 1 11 VAL H 1 58 MET QB 4.000 . 6.000 3.705 3.363 4.419 . 0 0 "[ . 1 . 2]" 1
795 1 12 LYS H 1 101 GLU H 4.000 . 6.000 2.423 1.919 3.049 . 0 0 "[ . 1 . 2]" 1
796 1 59 THR H 1 62 SER HB2 4.000 . 6.000 4.361 2.496 5.727 . 0 0 "[ . 1 . 2]" 1
797 1 46 GLU QB 1 47 ASP H 4.000 . 6.000 3.860 3.394 4.099 . 0 0 "[ . 1 . 2]" 1
798 1 39 GLU QB 1 41 ALA H 4.000 . 6.000 4.714 4.385 5.150 . 0 0 "[ . 1 . 2]" 1
799 1 71 ALA HA 1 73 ALA H 4.000 . 6.000 4.563 3.738 5.419 . 0 0 "[ . 1 . 2]" 1
800 1 94 GLY H 1 95 TYR H 4.000 . 6.000 4.254 3.646 4.598 . 0 0 "[ . 1 . 2]" 1
801 1 61 GLY HA2 1 62 SER H 4.000 . 6.000 3.521 3.418 3.590 . 0 0 "[ . 1 . 2]" 1
802 1 31 LEU QD 1 40 VAL H 4.000 . 6.000 4.490 4.145 4.972 . 0 0 "[ . 1 . 2]" 1
803 1 35 MET H 1 36 ARG H 4.000 . 6.000 4.309 4.080 4.674 . 0 0 "[ . 1 . 2]" 1
804 1 66 PRO HA 1 67 PHE H 4.000 . 6.000 3.574 3.532 3.606 . 0 0 "[ . 1 . 2]" 1
805 1 15 HIS H 1 55 LEU QD 4.000 . 6.000 3.304 1.839 5.090 . 0 0 "[ . 1 . 2]" 1
806 1 25 MET HA 1 29 GLU H 4.000 . 6.000 3.746 3.299 4.608 . 0 0 "[ . 1 . 2]" 1
807 1 44 TYR QD 1 45 SER H 4.000 . 6.000 4.191 4.074 4.290 . 0 0 "[ . 1 . 2]" 1
808 1 21 HIS H 1 22 GLY H 4.000 . 6.000 2.712 2.595 2.773 . 0 0 "[ . 1 . 2]" 1
809 1 77 SER H 1 77 SER HB3 4.000 . 6.000 3.864 3.105 4.176 . 0 0 "[ . 1 . 2]" 1
810 1 13 VAL H 1 58 MET H 4.000 . 6.000 4.183 3.842 4.491 . 0 0 "[ . 1 . 2]" 1
811 1 40 VAL MG1 1 43 GLN H 4.000 . 6.000 5.478 5.314 5.764 . 0 0 "[ . 1 . 2]" 1
812 1 15 HIS H 1 55 LEU H 4.000 . 6.000 3.530 2.451 4.293 . 0 0 "[ . 1 . 2]" 1
813 1 54 ASP H 1 55 LEU H 4.000 . 6.000 4.086 3.622 4.429 . 0 0 "[ . 1 . 2]" 1
814 1 83 VAL H 1 84 PHE H 4.000 . 6.000 4.569 4.306 4.743 . 0 0 "[ . 1 . 2]" 1
815 1 95 TYR HB2 1 96 HIS H 4.000 . 6.000 4.364 3.982 4.613 . 0 0 "[ . 1 . 2]" 1
816 1 11 VAL HA 1 103 ARG H 4.000 . 6.000 3.724 1.687 4.217 0.113 12 0 "[ . 1 . 2]" 1
817 1 24 ILE H 1 24 ILE HG13 4.000 . 6.000 4.439 4.237 4.533 . 0 0 "[ . 1 . 2]" 1
818 1 76 VAL H 1 77 SER H 4.000 . 6.000 4.595 4.439 4.717 . 0 0 "[ . 1 . 2]" 1
819 1 16 ILE H 1 51 GLN QE 4.000 . 6.000 5.910 4.351 6.292 0.292 20 0 "[ . 1 . 2]" 1
820 1 14 ARG HA 1 56 GLY H 4.000 . 6.000 4.233 2.867 4.877 . 0 0 "[ . 1 . 2]" 1
821 1 84 PHE H 1 85 THR H 4.000 . 6.000 2.419 1.799 4.007 0.001 13 0 "[ . 1 . 2]" 1
822 1 92 LYS QB 1 93 PHE H 4.000 . 6.000 3.194 1.866 4.063 . 0 0 "[ . 1 . 2]" 1
823 1 23 LYS H 1 24 ILE MG 4.000 . 6.000 3.912 3.253 4.900 . 0 0 "[ . 1 . 2]" 1
824 1 26 GLU HA 1 28 MET H 4.000 . 6.000 4.088 3.713 4.256 . 0 0 "[ . 1 . 2]" 1
825 1 15 HIS H 1 54 ASP HA 4.000 . 6.000 3.713 2.873 4.266 . 0 0 "[ . 1 . 2]" 1
826 1 83 VAL HB 1 84 PHE H 4.000 . 6.000 3.256 1.833 3.883 . 0 0 "[ . 1 . 2]" 1
827 1 10 ALA H 1 59 THR HA 4.000 . 6.000 4.696 4.159 5.020 . 0 0 "[ . 1 . 2]" 1
828 1 39 GLU QB 1 42 ALA H 4.000 . 6.000 4.600 4.516 4.793 . 0 0 "[ . 1 . 2]" 1
829 1 18 CYS H 1 95 TYR HB2 4.000 . 6.000 3.965 3.041 4.678 . 0 0 "[ . 1 . 2]" 1
830 1 91 THR MG 1 93 PHE H 4.000 . 6.000 4.383 2.687 5.402 . 0 0 "[ . 1 . 2]" 1
831 1 10 ALA H 1 59 THR HB 4.000 . 6.000 5.689 3.830 6.058 0.058 2 0 "[ . 1 . 2]" 1
832 1 38 ASN H 1 52 GLY QA 4.000 . 6.000 5.791 4.722 6.220 0.220 5 0 "[ . 1 . 2]" 1
833 1 91 THR H 1 93 PHE H 4.000 . 6.000 3.189 2.360 3.823 . 0 0 "[ . 1 . 2]" 1
834 1 13 VAL H 1 14 ARG H 4.000 . 6.000 4.575 4.475 4.615 . 0 0 "[ . 1 . 2]" 1
835 1 63 MET QB 1 67 PHE H 4.000 . 6.000 5.675 4.806 6.022 0.022 19 0 "[ . 1 . 2]" 1
836 1 71 ALA MB 1 73 ALA H 4.000 . 6.000 4.340 3.948 4.969 . 0 0 "[ . 1 . 2]" 1
837 1 12 LYS QD 1 57 TRP HE1 4.000 . 6.000 4.578 3.595 5.184 . 0 0 "[ . 1 . 2]" 1
838 1 72 PHE H 1 73 ALA MB 4.000 . 6.000 4.515 3.928 4.791 . 0 0 "[ . 1 . 2]" 1
839 1 10 ALA HA 1 58 MET H 4.000 . 6.000 3.478 3.172 4.107 . 0 0 "[ . 1 . 2]" 1
840 1 18 CYS QB 1 95 TYR H 4.000 . 6.000 4.914 4.375 5.469 . 0 0 "[ . 1 . 2]" 1
841 1 33 SER HG 1 34 GLY HA3 4.000 . 6.000 5.585 5.107 6.211 0.211 1 0 "[ . 1 . 2]" 1
842 1 15 HIS QB 1 97 ILE H 4.000 . 6.000 4.782 3.783 5.714 . 0 0 "[ . 1 . 2]" 1
843 1 67 PHE H 1 67 PHE QD 4.000 . 6.000 3.607 2.256 4.093 . 0 0 "[ . 1 . 2]" 1
844 1 16 ILE MG 1 44 TYR H 4.000 . 6.000 5.261 4.216 6.122 0.122 7 0 "[ . 1 . 2]" 1
845 1 16 ILE QG 1 45 SER H 4.000 . 6.000 3.517 2.629 4.370 . 0 0 "[ . 1 . 2]" 1
846 1 24 ILE H 1 24 ILE HG12 4.000 . 6.000 4.458 3.663 4.620 . 0 0 "[ . 1 . 2]" 1
847 1 54 ASP HB2 1 55 LEU H 4.000 . 6.000 4.548 3.920 4.733 . 0 0 "[ . 1 . 2]" 1
848 1 77 SER H 1 78 GLY H 4.000 . 6.000 3.935 2.126 4.611 . 0 0 "[ . 1 . 2]" 1
849 1 48 LYS HB3 1 49 ALA H 4.000 . 6.000 3.253 1.817 4.491 . 0 0 "[ . 1 . 2]" 1
850 1 24 ILE HA 1 28 MET H 4.000 . 6.000 4.425 4.147 5.189 . 0 0 "[ . 1 . 2]" 1
851 1 16 ILE H 1 96 HIS HA 4.000 . 6.000 3.965 3.227 4.704 . 0 0 "[ . 1 . 2]" 1
852 1 90 LYS HA 1 94 GLY H 4.000 . 6.000 3.840 3.226 4.186 . 0 0 "[ . 1 . 2]" 1
853 1 101 GLU HB3 1 102 GLY H 4.000 . 6.000 4.237 3.929 4.461 . 0 0 "[ . 1 . 2]" 1
854 1 63 MET H 1 64 VAL H 4.000 . 6.000 3.700 2.191 4.700 . 0 0 "[ . 1 . 2]" 1
855 1 11 VAL H 1 12 LYS H 4.000 . 6.000 4.517 4.438 4.725 . 0 0 "[ . 1 . 2]" 1
856 1 64 VAL HA 1 68 GLN H 4.000 . 6.000 5.520 4.002 6.058 0.058 11 0 "[ . 1 . 2]" 1
857 1 41 ALA MB 1 43 GLN H 4.000 . 6.000 5.061 4.786 5.215 . 0 0 "[ . 1 . 2]" 1
858 1 14 ARG H 1 15 HIS H 4.000 . 6.000 4.462 4.132 4.589 . 0 0 "[ . 1 . 2]" 1
859 1 30 LYS H 1 32 LYS H 4.000 . 6.000 4.096 3.948 4.412 . 0 0 "[ . 1 . 2]" 1
860 1 72 PHE H 1 74 LEU H 4.000 . 6.000 4.136 3.836 4.640 . 0 0 "[ . 1 . 2]" 1
861 1 95 TYR H 1 96 HIS H 4.000 . 6.000 4.419 4.101 4.599 . 0 0 "[ . 1 . 2]" 1
862 1 43 GLN QE 1 46 GLU H 4.000 . 6.000 4.041 2.561 6.180 0.180 6 0 "[ . 1 . 2]" 1
863 1 22 GLY HA2 1 25 MET H 4.000 . 5.000 4.669 3.984 5.026 0.026 6 0 "[ . 1 . 2]" 1
864 1 12 LYS H 1 57 TRP HE3 4.000 . 6.000 4.720 3.962 5.217 . 0 0 "[ . 1 . 2]" 1
865 1 16 ILE MD 1 40 VAL H 4.000 . 6.000 5.527 5.231 6.023 0.023 6 0 "[ . 1 . 2]" 1
866 1 10 ALA H 1 11 VAL QG 4.000 . 6.000 3.530 3.131 3.893 . 0 0 "[ . 1 . 2]" 1
867 1 20 LYS H 1 23 LYS H 4.000 . 6.000 4.876 4.134 5.406 . 0 0 "[ . 1 . 2]" 1
868 1 19 GLU QG 1 20 LYS H 4.000 . 6.000 3.964 1.843 4.556 . 0 0 "[ . 1 . 2]" 1
869 1 24 ILE HA 1 26 GLU H 4.000 . 6.000 4.667 4.374 4.880 . 0 0 "[ . 1 . 2]" 1
870 1 39 GLU HA 1 41 ALA H 4.000 . 6.000 4.799 4.338 5.406 . 0 0 "[ . 1 . 2]" 1
871 1 91 THR H 1 94 GLY HA2 4.000 . 6.000 4.995 4.324 5.558 . 0 0 "[ . 1 . 2]" 1
872 1 12 LYS H 1 102 GLY HA3 4.000 . 6.000 3.471 2.482 4.358 . 0 0 "[ . 1 . 2]" 1
873 1 40 VAL MG1 1 42 ALA H 4.000 . 6.000 5.054 3.953 5.416 . 0 0 "[ . 1 . 2]" 1
874 1 40 VAL HA 1 42 ALA H 4.000 . 6.000 4.118 3.825 4.409 . 0 0 "[ . 1 . 2]" 1
875 1 78 GLY H 1 79 MET H 4.000 . 6.000 4.040 3.254 4.673 . 0 0 "[ . 1 . 2]" 1
876 1 13 VAL H 1 58 MET QG 4.000 . 6.000 4.604 3.603 5.790 . 0 0 "[ . 1 . 2]" 1
877 1 11 VAL H 1 57 TRP HZ3 4.000 . 6.000 3.784 3.037 5.206 . 0 0 "[ . 1 . 2]" 1
878 1 45 SER H 1 46 GLU H 4.000 . 6.000 3.569 2.399 4.629 . 0 0 "[ . 1 . 2]" 1
879 1 91 THR H 1 95 TYR QD 4.000 . 6.000 5.221 4.503 6.074 0.074 16 0 "[ . 1 . 2]" 1
880 1 18 CYS H 1 19 GLU H 4.000 . 6.000 3.356 1.867 4.525 . 0 0 "[ . 1 . 2]" 1
881 1 90 LYS H 1 95 TYR HA 4.000 . 6.000 4.174 3.836 4.744 . 0 0 "[ . 1 . 2]" 1
882 1 86 ASP H 1 87 PRO HA 4.000 . 6.000 5.343 5.081 5.625 . 0 0 "[ . 1 . 2]" 1
883 1 44 TYR H 1 44 TYR QE 4.000 . 6.000 3.951 3.780 4.216 . 0 0 "[ . 1 . 2]" 1
884 1 70 ALA H 1 98 ILE MD 4.000 . 6.000 4.708 4.087 5.170 . 0 0 "[ . 1 . 2]" 1
885 1 93 PHE H 1 94 GLY HA3 4.000 . 6.000 4.684 4.300 5.136 . 0 0 "[ . 1 . 2]" 1
886 1 40 VAL MG1 1 45 SER H 4.000 . 6.000 6.095 5.845 6.276 0.276 5 0 "[ . 1 . 2]" 1
887 1 89 VAL H 1 95 TYR HA 4.000 . 6.000 4.118 3.747 4.458 . 0 0 "[ . 1 . 2]" 1
888 1 23 LYS HA 1 27 ALA H 3.000 . 3.500 3.671 3.586 3.761 0.261 13 0 "[ . 1 . 2]" 1
889 1 16 ILE H 1 97 ILE MD 4.000 . 6.000 4.660 4.013 5.287 . 0 0 "[ . 1 . 2]" 1
890 1 10 ALA H 1 58 MET H 4.000 . 6.000 6.053 5.926 6.153 0.153 15 0 "[ . 1 . 2]" 1
891 1 25 MET HA 1 27 ALA H 3.000 . 3.500 3.769 3.718 3.841 0.341 19 0 "[ . 1 . 2]" 1
892 1 35 MET H 1 35 MET ME 3.000 . 3.500 3.509 2.709 3.849 0.349 19 0 "[ . 1 . 2]" 1
893 1 57 TRP H 1 57 TRP HD1 3.000 . 3.500 2.740 2.147 3.127 . 0 0 "[ . 1 . 2]" 1
894 1 44 TYR HB2 1 44 TYR QD 3.000 . 3.500 2.757 2.571 2.810 . 0 0 "[ . 1 . 2]" 1
895 1 57 TRP HH2 1 57 TRP HZ3 2.500 . 3.000 2.477 2.464 2.482 . 0 0 "[ . 1 . 2]" 1
896 1 40 VAL QG 1 44 TYR QD 2.500 . 3.000 2.623 1.970 3.081 0.081 13 0 "[ . 1 . 2]" 1
897 1 44 TYR HB3 1 44 TYR QD 2.500 . 3.000 2.451 2.333 2.610 . 0 0 "[ . 1 . 2]" 1
898 1 43 GLN HB2 1 44 TYR QD 2.500 . 3.000 3.404 3.121 3.824 0.824 18 9 "[* **-* *1 *. +*2]" 1
899 1 72 PHE HB2 1 72 PHE QD 3.000 . 3.500 2.520 2.303 2.784 . 0 0 "[ . 1 . 2]" 1
900 1 43 GLN HB3 1 44 TYR QD 3.000 . 3.500 2.708 2.105 3.514 0.014 13 0 "[ . 1 . 2]" 1
901 1 30 LYS QG 1 44 TYR QE 3.000 . 3.500 2.518 1.820 3.572 0.072 19 0 "[ . 1 . 2]" 1
902 1 95 TYR HB2 1 95 TYR QD 3.000 . 3.500 2.509 2.299 2.785 . 0 0 "[ . 1 . 2]" 1
903 1 95 TYR HB3 1 95 TYR QD 3.000 . 3.500 2.584 2.298 2.786 . 0 0 "[ . 1 . 2]" 1
904 1 67 PHE HB3 1 67 PHE QD 3.000 . 3.500 2.404 2.298 2.590 . 0 0 "[ . 1 . 2]" 1
905 1 23 LYS QG 1 44 TYR QD 3.000 . 3.500 3.351 1.969 3.604 0.104 16 0 "[ . 1 . 2]" 1
906 1 72 PHE HB3 1 72 PHE QD 3.000 . 3.500 2.386 2.300 2.692 . 0 0 "[ . 1 . 2]" 1
907 1 57 TRP HH2 1 102 GLY HA3 3.000 . 3.500 3.234 1.832 3.604 0.104 9 0 "[ . 1 . 2]" 1
908 1 57 TRP HB3 1 57 TRP HE3 4.000 . 5.000 2.842 2.547 3.036 . 0 0 "[ . 1 . 2]" 1
909 1 30 LYS QB 1 44 TYR QE 4.000 . 5.000 3.105 2.245 4.727 . 0 0 "[ . 1 . 2]" 1
910 1 95 TYR HA 1 96 HIS HD2 4.000 . 5.000 3.615 2.362 4.623 . 0 0 "[ . 1 . 2]" 1
911 1 21 HIS HD2 1 95 TYR QE 4.000 . 5.000 3.431 2.037 5.057 0.057 17 0 "[ . 1 . 2]" 1
912 1 90 LYS HB2 1 95 TYR QD 4.000 . 5.000 2.795 1.952 3.742 . 0 0 "[ . 1 . 2]" 1
913 1 37 PHE HA 1 37 PHE QD 4.000 . 5.000 2.484 1.839 3.272 . 0 0 "[ . 1 . 2]" 1
914 1 68 GLN HG3 1 72 PHE QD 4.000 . 5.000 3.548 2.979 4.574 . 0 0 "[ . 1 . 2]" 1
915 1 90 LYS HA 1 96 HIS HD2 4.000 . 5.000 3.114 2.631 3.540 . 0 0 "[ . 1 . 2]" 1
916 1 83 VAL QG 1 84 PHE QD 4.000 . 5.000 3.265 1.798 4.459 0.002 18 0 "[ . 1 . 2]" 1
917 1 68 GLN HG2 1 72 PHE QD 4.000 . 5.000 3.070 1.971 4.625 . 0 0 "[ . 1 . 2]" 1
918 1 40 VAL MG2 1 44 TYR QE 4.000 . 5.000 4.599 4.167 5.059 0.059 13 0 "[ . 1 . 2]" 1
919 1 90 LYS HB3 1 95 TYR QE 4.000 . 5.000 3.738 2.827 4.807 . 0 0 "[ . 1 . 2]" 1
920 1 90 LYS QG 1 96 HIS HD2 4.000 . 5.000 4.666 4.357 4.899 . 0 0 "[ . 1 . 2]" 1
921 1 95 TYR HA 1 95 TYR QD 4.000 . 5.000 2.212 1.808 3.050 . 0 0 "[ . 1 . 2]" 1
922 1 37 PHE QD 1 41 ALA MB 4.000 . 5.000 4.639 3.293 5.088 0.088 9 0 "[ . 1 . 2]" 1
923 1 90 LYS QE 1 95 TYR QE 4.000 . 5.000 3.580 2.287 4.877 . 0 0 "[ . 1 . 2]" 1
924 1 67 PHE QD 1 96 HIS HD2 4.000 . 5.000 4.730 3.901 5.023 0.023 9 0 "[ . 1 . 2]" 1
925 1 23 LYS QE 1 44 TYR QD 4.000 . 5.000 3.705 2.716 4.529 . 0 0 "[ . 1 . 2]" 1
926 1 57 TRP HZ3 1 103 ARG QB 4.000 . 5.000 3.780 3.225 4.565 . 0 0 "[ . 1 . 2]" 1
927 1 90 LYS HB2 1 95 TYR QE 4.000 . 5.000 2.489 1.856 3.713 . 0 0 "[ . 1 . 2]" 1
928 1 10 ALA HA 1 72 PHE HZ 4.000 . 5.000 4.104 2.962 5.040 0.040 7 0 "[ . 1 . 2]" 1
929 1 57 TRP HZ3 1 104 LYS HG2 4.000 . 5.000 4.505 2.727 5.875 0.875 12 4 "[ - *. * 1 + . 2]" 1
930 1 57 TRP HH2 1 102 GLY HA2 4.000 . 5.000 3.776 2.760 4.406 . 0 0 "[ . 1 . 2]" 1
931 1 57 TRP HB2 1 57 TRP HE3 4.000 . 5.000 4.219 4.073 4.254 . 0 0 "[ . 1 . 2]" 1
932 1 15 HIS HD2 1 55 LEU HG 4.000 . 5.000 4.238 2.027 5.076 0.076 7 0 "[ . 1 . 2]" 1
933 1 57 TRP HH2 1 103 ARG QB 4.000 . 5.000 4.569 4.219 4.847 . 0 0 "[ . 1 . 2]" 1
934 1 68 GLN HG3 1 72 PHE QE 4.000 . 5.000 4.323 3.260 5.845 0.845 11 1 "[ . 1+ . 2]" 1
935 1 57 TRP HB2 1 57 TRP HD1 3.000 . 3.500 2.532 2.504 2.684 . 0 0 "[ . 1 . 2]" 1
936 1 72 PHE HA 1 72 PHE QE 4.000 . 5.000 4.298 4.100 5.042 0.042 7 0 "[ . 1 . 2]" 1
937 1 24 ILE MG 1 95 TYR QD 4.000 . 5.000 4.224 2.746 4.980 . 0 0 "[ . 1 . 2]" 1
938 1 11 VAL QG 1 72 PHE QD 4.000 . 5.000 2.845 1.795 3.605 0.005 7 0 "[ . 1 . 2]" 1
939 1 57 TRP HB3 1 57 TRP HD1 3.000 . 3.500 3.656 3.563 3.789 0.289 10 0 "[ . 1 . 2]" 1
940 1 67 PHE QD 1 98 ILE MD 4.000 . 5.000 3.027 2.360 4.082 . 0 0 "[ . 1 . 2]" 1
941 1 16 ILE MG 1 44 TYR QD 4.000 . 5.000 4.462 3.769 5.004 0.004 13 0 "[ . 1 . 2]" 1
942 1 57 TRP HH2 1 103 ARG HA 4.000 . 5.000 3.278 2.693 4.750 . 0 0 "[ . 1 . 2]" 1
943 1 57 TRP HH2 1 104 LYS HG2 4.000 . 5.000 4.569 2.758 5.903 0.903 12 1 "[ . 1 + . 2]" 1
944 1 96 HIS HB2 1 96 HIS HD2 4.000 . 5.000 3.423 2.742 3.989 . 0 0 "[ . 1 . 2]" 1
945 1 21 HIS HA 1 21 HIS HD2 4.000 . 5.000 4.484 3.897 4.876 . 0 0 "[ . 1 . 2]" 1
946 1 67 PHE QD 1 68 GLN HA 4.000 . 6.000 4.170 2.805 5.562 . 0 0 "[ . 1 . 2]" 1
947 1 57 TRP HH2 1 104 LYS QD 4.000 . 6.000 3.896 2.297 5.496 . 0 0 "[ . 1 . 2]" 1
948 1 57 TRP HH2 1 104 LYS HG3 4.000 . 6.000 4.065 2.433 6.050 0.050 5 0 "[ . 1 . 2]" 1
949 1 11 VAL QG 1 72 PHE QE 4.000 . 6.000 2.600 1.849 3.164 . 0 0 "[ . 1 . 2]" 1
950 1 60 ARG HA 1 72 PHE QE 4.000 . 6.000 3.941 2.299 5.309 . 0 0 "[ . 1 . 2]" 1
951 1 21 HIS HA 1 21 HIS HE1 4.000 . 6.000 4.591 4.128 4.939 . 0 0 "[ . 1 . 2]" 1
952 1 90 LYS HB3 1 95 TYR QD 4.000 . 6.000 4.306 3.615 5.219 . 0 0 "[ . 1 . 2]" 1
953 1 89 VAL HB 1 96 HIS HD2 4.000 . 6.000 5.385 4.695 5.940 . 0 0 "[ . 1 . 2]" 1
954 1 15 HIS HD2 1 53 GLY HA3 4.000 . 6.000 4.439 1.863 6.015 0.015 5 0 "[ . 1 . 2]" 1
955 1 57 TRP HZ3 1 104 LYS HG3 4.000 . 6.000 4.046 2.415 6.045 0.045 14 0 "[ . 1 . 2]" 1
956 1 24 ILE MG 1 95 TYR QE 4.000 . 6.000 5.618 4.083 6.059 0.059 10 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 333
_Distance_constraint_stats_list.Viol_count 636
_Distance_constraint_stats_list.Viol_total 1630.021
_Distance_constraint_stats_list.Viol_max 0.998
_Distance_constraint_stats_list.Viol_rms 0.0626
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.1281
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLY 1.286 0.325 9 0 "[ . 1 . 2]"
1 4 PRO 1.286 0.325 9 0 "[ . 1 . 2]"
1 5 LYS 0.047 0.023 15 0 "[ . 1 . 2]"
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.044 0.026 7 0 "[ . 1 . 2]"
1 11 VAL 1.637 0.139 15 0 "[ . 1 . 2]"
1 12 LYS 5.284 0.340 14 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ARG 2.932 0.669 5 2 "[ + 1 . -2]"
1 15 HIS 0.080 0.051 7 0 "[ . 1 . 2]"
1 16 ILE 0.455 0.083 18 0 "[ . 1 . 2]"
1 17 LEU 3.353 0.291 7 0 "[ . 1 . 2]"
1 18 CYS 0.314 0.116 19 0 "[ . 1 . 2]"
1 19 GLU 1.077 0.680 10 1 "[ . + . 2]"
1 20 LYS 1.452 0.680 10 2 "[ . + . -2]"
1 21 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.370 0.116 19 0 "[ . 1 . 2]"
1 24 ILE 0.149 0.083 18 0 "[ . 1 . 2]"
1 25 MET 4.393 0.823 9 5 "[ * . * +1 *-. 2]"
1 26 GLU 0.137 0.087 19 0 "[ . 1 . 2]"
1 27 ALA 0.848 0.122 14 0 "[ . 1 . 2]"
1 28 MET 4.252 0.823 9 5 "[ * . * +1 *-. 2]"
1 29 GLU 0.953 0.246 8 0 "[ . 1 . 2]"
1 30 LYS 5.433 0.791 1 4 "[+ .* * . -2]"
1 31 LEU 0.903 0.122 14 0 "[ . 1 . 2]"
1 32 LYS 3.484 0.921 11 3 "[ . 1+ * -2]"
1 33 SER 0.103 0.051 16 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 MET 5.293 0.791 1 4 "[+ .* * . -2]"
1 36 ARG 7.267 0.907 14 1 "[ . 1 +. 2]"
1 37 PHE 1.474 0.473 14 0 "[ . 1 . 2]"
1 38 ASN 6.864 0.960 15 3 "[ .- 1 *+ 2]"
1 39 GLU 6.432 0.960 15 2 "[ . 1 -+ 2]"
1 40 VAL 16.185 0.486 10 0 "[ . 1 . 2]"
1 41 ALA 3.523 0.160 17 0 "[ . 1 . 2]"
1 42 ALA 0.896 0.144 17 0 "[ . 1 . 2]"
1 43 GLN 7.622 0.486 10 0 "[ . 1 . 2]"
1 44 TYR 2.078 0.179 9 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.742 0.125 17 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.239 0.073 4 0 "[ . 1 . 2]"
1 49 ALA 1.111 0.125 17 0 "[ . 1 . 2]"
1 51 GLN 2.487 0.627 6 1 "[ .+ 1 . 2]"
1 52 GLY 0.031 0.031 5 0 "[ . 1 . 2]"
1 53 GLY 0.145 0.073 4 0 "[ . 1 . 2]"
1 54 ASP 3.499 0.600 19 1 "[ . 1 . +2]"
1 55 LEU 1.091 0.669 5 1 "[ + 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 MET 0.534 0.043 4 0 "[ . 1 . 2]"
1 60 ARG 1.610 0.606 15 1 "[ . 1 + 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 MET 0.235 0.229 8 0 "[ . 1 . 2]"
1 64 VAL 0.900 0.313 1 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PRO 0.023 0.018 14 0 "[ . 1 . 2]"
1 67 PHE 0.464 0.313 1 0 "[ . 1 . 2]"
1 68 GLN 0.229 0.229 8 0 "[ . 1 . 2]"
1 69 GLU 0.456 0.219 7 0 "[ . 1 . 2]"
1 70 ALA 0.135 0.050 2 0 "[ . 1 . 2]"
1 71 ALA 0.063 0.063 7 0 "[ . 1 . 2]"
1 72 PHE 1.892 0.606 15 1 "[ . 1 + 2]"
1 73 ALA 0.205 0.081 10 0 "[ . 1 . 2]"
1 74 LEU 0.205 0.081 10 0 "[ . 1 . 2]"
1 75 PRO 1.730 0.400 8 0 "[ . 1 . 2]"
1 76 VAL 0.253 0.117 11 0 "[ . 1 . 2]"
1 77 SER 0.625 0.457 15 0 "[ . 1 . 2]"
1 78 GLY 0.442 0.307 17 0 "[ . 1 . 2]"
1 79 MET 3.295 0.998 5 2 "[ -+ 1 . 2]"
1 80 ASP 1.718 0.998 5 2 "[ -+ 1 . 2]"
1 81 LYS 0.131 0.037 12 0 "[ . 1 . 2]"
1 82 PRO 1.352 0.307 17 0 "[ . 1 . 2]"
1 83 VAL 1.341 0.457 15 0 "[ . 1 . 2]"
1 84 PHE 1.730 0.400 8 0 "[ . 1 . 2]"
1 85 THR 0.651 0.270 4 0 "[ . 1 . 2]"
1 87 PRO 0.274 0.049 15 0 "[ . 1 . 2]"
1 88 PRO 3.213 0.291 7 0 "[ . 1 . 2]"
1 89 VAL 4.542 0.512 12 1 "[ . 1 + . 2]"
1 90 LYS 4.542 0.512 12 1 "[ . 1 + . 2]"
1 91 THR 0.072 0.043 17 0 "[ . 1 . 2]"
1 92 LYS 2.483 0.551 14 1 "[ . 1 +. 2]"
1 93 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.072 0.043 17 0 "[ . 1 . 2]"
1 95 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.361 0.060 13 0 "[ . 1 . 2]"
1 98 ILE 1.195 0.142 14 0 "[ . 1 . 2]"
1 99 MET 4.023 0.862 9 1 "[ . +1 . 2]"
1 100 VAL 1.136 0.117 11 0 "[ . 1 . 2]"
1 101 GLU 5.326 0.340 14 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ARG 0.382 0.139 15 0 "[ . 1 . 2]"
1 104 LYS 0.044 0.026 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 GLU QB 1 19 GLU HG2 2.500 . 3.000 2.327 2.168 2.537 . 0 0 "[ . 1 . 2]" 2
2 1 29 GLU HB3 1 29 GLU HG2 2.500 . 3.000 2.692 2.356 3.033 0.033 3 0 "[ . 1 . 2]" 2
3 1 26 GLU HB3 1 26 GLU QG 2.500 . 3.000 2.348 2.154 2.472 . 0 0 "[ . 1 . 2]" 2
4 1 5 LYS HD3 1 5 LYS HG3 2.500 . 3.000 2.771 2.417 3.023 0.023 15 0 "[ . 1 . 2]" 2
5 1 58 MET HB2 1 58 MET HG3 2.500 . 3.000 2.529 2.252 3.035 0.035 7 0 "[ . 1 . 2]" 2
6 1 69 GLU HB3 1 69 GLU HG3 2.500 . 3.000 2.871 2.607 3.035 0.035 10 0 "[ . 1 . 2]" 2
7 1 4 PRO HB2 1 4 PRO HG3 2.500 . 3.000 2.875 2.871 2.878 . 0 0 "[ . 1 . 2]" 2
8 1 92 LYS HB2 1 92 LYS HD2 2.500 . 3.000 2.834 1.936 3.551 0.551 14 1 "[ . 1 +. 2]" 2
9 1 25 MET QB 1 25 MET HG3 2.500 . 3.000 2.326 2.155 2.553 . 0 0 "[ . 1 . 2]" 2
10 1 99 MET HB2 1 99 MET ME 2.500 . 3.000 2.469 1.874 3.862 0.862 9 1 "[ . +1 . 2]" 2
11 1 36 ARG HD2 1 36 ARG HG3 2.500 . 3.000 2.299 2.271 2.393 . 0 0 "[ . 1 . 2]" 2
12 1 83 VAL QG 1 85 THR MG 2.500 . 3.000 2.170 1.530 3.119 0.270 4 0 "[ . 1 . 2]" 2
13 1 36 ARG HB2 1 36 ARG HD3 2.500 . 3.000 2.071 1.965 2.344 . 0 0 "[ . 1 . 2]" 2
14 1 81 LYS HB3 1 81 LYS HG3 2.500 . 3.000 2.843 2.494 3.037 0.037 12 0 "[ . 1 . 2]" 2
15 1 3 GLY HA2 1 4 PRO HD2 3.000 . 3.500 2.929 2.081 3.825 0.325 9 0 "[ . 1 . 2]" 2
16 1 20 LYS HD3 1 20 LYS HE3 3.000 . 3.500 2.879 2.558 3.042 . 0 0 "[ . 1 . 2]" 2
17 1 42 ALA HA 1 49 ALA MB 3.000 . 3.500 2.339 1.694 3.304 0.106 16 0 "[ . 1 . 2]" 2
18 1 20 LYS HD3 1 20 LYS HG3 3.000 . 3.500 2.817 2.427 3.035 . 0 0 "[ . 1 . 2]" 2
19 1 35 MET HB2 1 35 MET HG3 3.000 . 3.500 2.785 2.276 3.027 . 0 0 "[ . 1 . 2]" 2
20 1 35 MET HB2 1 35 MET HG2 3.000 . 3.500 2.597 2.316 2.953 . 0 0 "[ . 1 . 2]" 2
21 1 30 LYS HB3 1 35 MET HB2 3.000 . 3.500 2.987 2.105 4.277 0.777 6 2 "[ .+ - . 2]" 2
22 1 4 PRO HD2 1 4 PRO HG2 3.000 . 3.500 2.280 2.279 2.281 . 0 0 "[ . 1 . 2]" 2
23 1 20 LYS HE2 1 20 LYS HG2 3.000 . 3.500 2.904 1.997 4.143 0.643 19 1 "[ . 1 . +2]" 2
24 1 103 ARG HD2 1 103 ARG HG3 3.000 . 3.500 2.643 2.267 3.033 . 0 0 "[ . 1 . 2]" 2
25 1 81 LYS HB2 1 81 LYS HG3 3.000 . 3.500 2.487 2.253 3.037 . 0 0 "[ . 1 . 2]" 2
26 1 30 LYS QE 1 30 LYS QG 3.000 . 3.500 2.116 1.926 2.567 . 0 0 "[ . 1 . 2]" 2
27 1 11 VAL HB 1 100 VAL QG 3.000 . 3.500 1.788 1.685 2.241 0.115 13 0 "[ . 1 . 2]" 2
28 1 30 LYS QE 1 36 ARG HD2 3.000 . 3.500 3.346 2.604 3.540 0.040 13 0 "[ . 1 . 2]" 2
29 1 30 LYS QE 1 35 MET HB2 3.000 . 3.500 3.330 1.869 4.291 0.791 1 2 "[+ . 1 . -2]" 2
30 1 79 MET HA 1 99 MET ME 3.000 . 3.500 3.312 2.612 3.556 0.056 4 0 "[ . 1 . 2]" 2
31 1 31 LEU QD 1 97 ILE MG 3.000 . 3.500 3.287 2.923 3.458 . 0 0 "[ . 1 . 2]" 2
32 1 29 GLU H 1 29 GLU HB3 3.000 . 3.500 3.295 3.036 3.501 0.001 4 0 "[ . 1 . 2]" 2
33 1 92 LYS HD2 1 92 LYS HE2 3.000 . 3.500 2.906 2.626 3.043 . 0 0 "[ . 1 . 2]" 2
34 1 79 MET HB2 1 99 MET ME 3.000 . 3.500 3.203 1.903 3.655 0.155 5 0 "[ . 1 . 2]" 2
35 1 36 ARG HB3 1 36 ARG HD3 3.000 . 3.500 3.007 2.715 3.547 0.047 9 0 "[ . 1 . 2]" 2
36 1 51 GLN QG 1 99 MET ME 3.000 . 3.500 3.220 2.236 3.589 0.089 15 0 "[ . 1 . 2]" 2
37 1 87 PRO HD2 1 87 PRO HG2 3.000 . 3.500 2.283 2.279 2.287 . 0 0 "[ . 1 . 2]" 2
38 1 69 GLU H 1 69 GLU HB3 3.000 . 3.500 3.247 2.123 3.508 0.008 9 0 "[ . 1 . 2]" 2
39 1 81 LYS HD2 1 81 LYS HG2 3.000 . 3.500 2.810 2.439 3.026 . 0 0 "[ . 1 . 2]" 2
40 1 16 ILE HB 1 24 ILE MD 4.000 . 5.000 4.670 3.891 5.083 0.083 18 0 "[ . 1 . 2]" 2
41 1 48 LYS HE2 1 55 LEU QD 4.000 . 5.000 3.651 2.350 4.876 . 0 0 "[ . 1 . 2]" 2
42 1 23 LYS HB3 1 23 LYS QE 4.000 . 5.000 3.230 1.863 3.883 . 0 0 "[ . 1 . 2]" 2
43 1 25 MET ME 1 28 MET QG 4.000 . 5.000 4.097 1.830 4.828 . 0 0 "[ . 1 . 2]" 2
44 1 35 MET HB3 1 35 MET ME 4.000 . 5.000 3.224 1.766 3.933 0.034 19 0 "[ . 1 . 2]" 2
45 1 29 GLU HA 1 32 LYS HB3 4.000 . 5.000 3.298 2.246 3.927 . 0 0 "[ . 1 . 2]" 2
46 1 39 GLU H 1 39 GLU HB2 4.000 . 5.000 2.598 2.281 3.312 . 0 0 "[ . 1 . 2]" 2
47 1 23 LYS HA 1 25 MET QB 4.000 . 5.000 4.559 4.088 4.890 . 0 0 "[ . 1 . 2]" 2
48 1 31 LEU HG 1 40 VAL MG2 4.000 . 5.000 3.140 2.345 4.070 . 0 0 "[ . 1 . 2]" 2
49 1 71 ALA HA 1 100 VAL QG 4.000 . 5.000 2.907 2.104 3.647 . 0 0 "[ . 1 . 2]" 2
50 1 24 ILE MG 1 25 MET QB 4.000 . 5.000 2.825 2.510 3.615 . 0 0 "[ . 1 . 2]" 2
51 1 39 GLU H 1 39 GLU HG2 4.000 . 5.000 2.263 1.821 4.024 . 0 0 "[ . 1 . 2]" 2
52 1 32 LYS HB2 1 32 LYS HD3 4.000 . 5.000 3.501 2.272 4.183 . 0 0 "[ . 1 . 2]" 2
53 1 35 MET HB2 1 40 VAL QG 4.000 . 5.000 3.776 2.848 4.576 . 0 0 "[ . 1 . 2]" 2
54 1 24 ILE HG12 1 97 ILE MD 4.000 . 5.000 4.275 3.505 4.848 . 0 0 "[ . 1 . 2]" 2
55 1 20 LYS QB 1 20 LYS HE2 4.000 . 5.000 3.314 1.874 4.157 . 0 0 "[ . 1 . 2]" 2
56 1 80 ASP HA 1 87 PRO HG3 4.000 . 5.000 2.973 1.831 5.017 0.017 9 0 "[ . 1 . 2]" 2
57 1 17 LEU HA 1 88 PRO HA 4.000 . 5.000 5.148 5.045 5.291 0.291 7 0 "[ . 1 . 2]" 2
58 1 77 SER HB2 1 83 VAL QG 4.000 . 5.000 3.556 1.843 4.685 . 0 0 "[ . 1 . 2]" 2
59 1 35 MET H 1 35 MET HB3 4.000 . 5.000 3.099 2.221 3.610 . 0 0 "[ . 1 . 2]" 2
60 1 98 ILE HB 1 100 VAL QG 4.000 . 5.000 4.635 3.771 5.000 0.000 5 0 "[ . 1 . 2]" 2
61 1 78 GLY QA 1 87 PRO QB 4.000 . 5.000 3.935 3.076 4.726 . 0 0 "[ . 1 . 2]" 2
62 1 23 LYS H 1 23 LYS HB2 4.000 . 5.000 3.195 2.367 3.769 . 0 0 "[ . 1 . 2]" 2
63 1 36 ARG HD3 1 40 VAL HA 4.000 . 5.000 5.128 4.951 5.188 0.188 18 0 "[ . 1 . 2]" 2
64 1 99 MET H 1 99 MET ME 4.000 . 5.000 3.883 3.568 4.689 . 0 0 "[ . 1 . 2]" 2
65 1 79 MET HG2 1 99 MET ME 4.000 . 5.000 4.748 3.730 5.040 0.040 16 0 "[ . 1 . 2]" 2
66 1 33 SER H 1 33 SER HB2 4.000 . 5.000 3.188 2.541 3.547 . 0 0 "[ . 1 . 2]" 2
67 1 79 MET HG3 1 99 MET ME 4.000 . 5.000 4.008 3.336 5.043 0.043 5 0 "[ . 1 . 2]" 2
68 1 64 VAL QG 1 92 LYS HE2 4.000 . 5.000 4.273 2.493 5.306 0.306 5 0 "[ . 1 . 2]" 2
69 1 28 MET ME 1 97 ILE MG 4.000 . 5.000 3.813 3.243 4.438 . 0 0 "[ . 1 . 2]" 2
70 1 18 CYS QB 1 23 LYS QD 4.000 . 5.000 2.623 1.857 4.008 . 0 0 "[ . 1 . 2]" 2
71 1 30 LYS H 1 30 LYS HB2 4.000 . 5.000 2.302 1.998 2.633 . 0 0 "[ . 1 . 2]" 2
72 1 33 SER H 1 33 SER HB3 4.000 . 5.000 3.214 2.574 3.568 . 0 0 "[ . 1 . 2]" 2
73 1 58 MET H 1 58 MET HG2 4.000 . 5.000 4.123 3.318 5.025 0.025 19 0 "[ . 1 . 2]" 2
74 1 19 GLU QB 1 20 LYS HE2 4.000 . 5.000 3.890 2.027 5.680 0.680 10 1 "[ . + . 2]" 2
75 1 41 ALA MB 1 99 MET ME 4.000 . 5.000 4.702 4.076 5.100 0.100 6 0 "[ . 1 . 2]" 2
76 1 98 ILE HA 1 99 MET ME 4.000 . 5.000 5.048 4.831 5.142 0.142 14 0 "[ . 1 . 2]" 2
77 1 79 MET ME 1 82 PRO HG3 4.000 . 5.000 4.184 2.801 5.197 0.197 11 0 "[ . 1 . 2]" 2
78 1 74 LEU HB3 1 83 VAL QG 4.000 . 5.000 2.311 1.749 4.060 0.051 2 0 "[ . 1 . 2]" 2
79 1 29 GLU HB2 1 30 LYS H 4.000 . 5.000 2.654 2.139 3.008 . 0 0 "[ . 1 . 2]" 2
80 1 12 LYS QE 1 57 TRP HB2 4.000 . 5.000 4.494 3.211 4.894 . 0 0 "[ . 1 . 2]" 2
81 1 69 GLU HB3 1 70 ALA H 4.000 . 5.000 3.226 2.111 3.770 . 0 0 "[ . 1 . 2]" 2
82 1 11 VAL QG 1 103 ARG QB 4.000 . 5.000 2.045 1.661 2.881 0.139 15 0 "[ . 1 . 2]" 2
83 1 49 ALA MB 1 52 GLY QA 4.000 . 5.000 4.010 2.508 5.031 0.031 5 0 "[ . 1 . 2]" 2
84 1 87 PRO QB 1 88 PRO HD3 4.000 . 5.000 1.797 1.751 1.847 0.049 15 0 "[ . 1 . 2]" 2
85 1 83 VAL QG 1 84 PHE HB2 4.000 . 5.000 3.341 2.361 4.394 . 0 0 "[ . 1 . 2]" 2
86 1 69 GLU H 1 69 GLU HG3 4.000 . 5.000 2.990 2.491 3.695 . 0 0 "[ . 1 . 2]" 2
87 1 24 ILE MG 1 25 MET HG2 4.000 . 5.000 3.780 2.920 4.952 . 0 0 "[ . 1 . 2]" 2
88 1 92 LYS HB3 1 92 LYS HD3 4.000 . 5.000 3.241 2.164 3.866 . 0 0 "[ . 1 . 2]" 2
89 1 26 GLU QG 1 35 MET ME 4.000 . 5.000 4.771 4.474 4.998 . 0 0 "[ . 1 . 2]" 2
90 1 91 THR MG 1 94 GLY H 4.000 . 5.000 4.663 2.950 5.043 0.043 17 0 "[ . 1 . 2]" 2
91 1 63 MET HB3 1 68 GLN QB 4.000 . 5.000 2.734 1.868 4.276 . 0 0 "[ . 1 . 2]" 2
92 1 77 SER HB3 1 83 VAL QG 4.000 . 5.000 3.939 2.279 4.819 . 0 0 "[ . 1 . 2]" 2
93 1 92 LYS HE3 1 92 LYS HG3 4.000 . 5.000 2.877 2.098 3.560 . 0 0 "[ . 1 . 2]" 2
94 1 36 ARG H 1 36 ARG HG3 4.000 . 5.000 2.268 1.799 2.782 0.001 9 0 "[ . 1 . 2]" 2
95 1 87 PRO QB 1 88 PRO HD2 4.000 . 5.000 3.048 2.814 3.161 . 0 0 "[ . 1 . 2]" 2
96 1 89 VAL MG2 1 90 LYS HB3 4.000 . 5.000 5.227 5.024 5.512 0.512 12 1 "[ . 1 + . 2]" 2
97 1 36 ARG HA 1 36 ARG HG3 4.000 . 5.000 2.604 2.365 3.286 . 0 0 "[ . 1 . 2]" 2
98 1 77 SER HB2 1 78 GLY H 4.000 . 5.000 3.111 1.874 4.460 . 0 0 "[ . 1 . 2]" 2
99 1 20 LYS HE3 1 23 LYS QE 4.000 . 5.000 3.908 1.999 4.688 . 0 0 "[ . 1 . 2]" 2
100 1 23 LYS HA 1 26 GLU HB3 4.000 . 5.000 2.799 1.917 3.197 . 0 0 "[ . 1 . 2]" 2
101 1 30 LYS HB2 1 31 LEU H 4.000 . 5.000 2.301 2.013 3.091 . 0 0 "[ . 1 . 2]" 2
102 1 68 GLN HG3 1 69 GLU H 4.000 . 5.000 4.401 2.230 4.973 . 0 0 "[ . 1 . 2]" 2
103 1 60 ARG HB2 1 60 ARG HD3 4.000 . 5.000 3.242 2.066 4.157 . 0 0 "[ . 1 . 2]" 2
104 1 40 VAL MG2 1 43 GLN H 4.000 . 5.000 5.349 4.996 5.486 0.486 10 0 "[ . 1 . 2]" 2
105 1 104 LYS HB2 1 104 LYS QE 4.000 . 5.000 3.388 2.232 4.331 . 0 0 "[ . 1 . 2]" 2
106 1 23 LYS HB2 1 44 TYR HA 4.000 . 5.000 3.164 2.533 4.524 . 0 0 "[ . 1 . 2]" 2
107 1 46 GLU H 1 46 GLU HG2 4.000 . 5.000 3.770 1.940 4.740 . 0 0 "[ . 1 . 2]" 2
108 1 18 CYS QB 1 23 LYS HB3 4.000 . 5.000 4.746 4.015 5.116 0.116 19 0 "[ . 1 . 2]" 2
109 1 19 GLU HA 1 19 GLU HG3 4.000 . 5.000 2.664 2.021 3.641 . 0 0 "[ . 1 . 2]" 2
110 1 92 LYS HE3 1 92 LYS HG2 4.000 . 5.000 3.071 1.954 4.102 . 0 0 "[ . 1 . 2]" 2
111 1 25 MET HG2 1 28 MET QG 4.000 . 5.000 4.811 3.756 5.823 0.823 9 5 "[ * . * +1 *-. 2]" 2
112 1 60 ARG H 1 60 ARG HB2 4.000 . 5.000 2.106 1.941 2.475 . 0 0 "[ . 1 . 2]" 2
113 1 31 LEU HB2 1 97 ILE MD 4.000 . 5.000 4.764 4.255 5.041 0.041 17 0 "[ . 1 . 2]" 2
114 1 78 GLY QA 1 99 MET ME 4.000 . 5.000 3.884 2.634 4.826 . 0 0 "[ . 1 . 2]" 2
115 1 30 LYS QE 1 35 MET HG2 4.000 . 5.000 2.616 1.777 4.611 0.023 7 0 "[ . 1 . 2]" 2
116 1 39 GLU HB2 1 40 VAL H 4.000 . 5.000 2.421 2.032 4.083 . 0 0 "[ . 1 . 2]" 2
117 1 30 LYS QE 1 35 MET ME 4.000 . 5.000 2.819 1.892 4.045 . 0 0 "[ . 1 . 2]" 2
118 1 100 VAL QG 1 103 ARG QB 4.000 . 5.000 3.526 2.720 4.604 . 0 0 "[ . 1 . 2]" 2
119 1 89 VAL HB 1 98 ILE MD 4.000 . 5.000 3.834 3.295 4.284 . 0 0 "[ . 1 . 2]" 2
120 1 27 ALA MB 1 31 LEU QD 4.000 . 5.000 2.764 2.340 3.236 . 0 0 "[ . 1 . 2]" 2
121 1 79 MET HA 1 87 PRO QB 4.000 . 5.000 4.111 2.293 4.879 . 0 0 "[ . 1 . 2]" 2
122 1 76 VAL QG 1 103 ARG HD3 4.000 . 5.000 3.293 1.778 4.954 0.022 14 0 "[ . 1 . 2]" 2
123 1 12 LYS H 1 12 LYS HB2 4.000 . 5.000 2.250 1.997 2.593 . 0 0 "[ . 1 . 2]" 2
124 1 23 LYS HB3 1 44 TYR HA 4.000 . 5.000 3.660 1.882 5.055 0.055 18 0 "[ . 1 . 2]" 2
125 1 39 GLU H 1 40 VAL MG2 4.000 . 5.000 3.479 3.248 5.219 0.219 9 0 "[ . 1 . 2]" 2
126 1 68 GLN H 1 68 GLN HG2 4.000 . 6.000 3.982 2.289 4.449 . 0 0 "[ . 1 . 2]" 2
127 1 76 VAL QG 1 103 ARG HD2 4.000 . 6.000 3.815 1.842 5.783 . 0 0 "[ . 1 . 2]" 2
128 1 30 LYS HB3 1 30 LYS QE 4.000 . 6.000 3.304 1.828 4.254 . 0 0 "[ . 1 . 2]" 2
129 1 36 ARG HB2 1 39 GLU HB2 4.000 . 6.000 2.239 1.775 4.576 0.025 19 0 "[ . 1 . 2]" 2
130 1 11 VAL QG 1 103 ARG HG3 4.000 . 6.000 3.287 1.777 4.462 0.023 1 0 "[ . 1 . 2]" 2
131 1 36 ARG HB2 1 39 GLU HG3 4.000 . 6.000 3.253 2.086 4.806 . 0 0 "[ . 1 . 2]" 2
132 1 16 ILE MD 1 97 ILE MG 4.000 . 6.000 3.546 3.087 4.230 . 0 0 "[ . 1 . 2]" 2
133 1 12 LYS QE 1 56 GLY HA2 4.000 . 6.000 2.414 1.822 3.942 . 0 0 "[ . 1 . 2]" 2
134 1 83 VAL QG 1 84 PHE HB3 4.000 . 6.000 4.318 3.565 5.269 . 0 0 "[ . 1 . 2]" 2
135 1 10 ALA MB 1 104 LYS HG3 4.000 . 6.000 3.995 1.965 6.026 0.026 7 0 "[ . 1 . 2]" 2
136 1 29 GLU HA 1 32 LYS HD3 4.000 . 6.000 4.796 2.606 6.246 0.246 8 0 "[ . 1 . 2]" 2
137 1 40 VAL MG2 1 44 TYR HB2 4.000 . 6.000 3.509 1.828 3.995 . 0 0 "[ . 1 . 2]" 2
138 1 99 MET QG 1 100 VAL QG 4.000 . 6.000 4.510 4.156 5.171 . 0 0 "[ . 1 . 2]" 2
139 1 10 ALA MB 1 104 LYS HG2 4.000 . 6.000 4.122 2.246 5.852 . 0 0 "[ . 1 . 2]" 2
140 1 9 ASN HB2 1 10 ALA MB 4.000 . 6.000 4.362 3.457 4.796 . 0 0 "[ . 1 . 2]" 2
141 1 96 HIS HB2 1 98 ILE MD 4.000 . 6.000 4.409 2.887 5.720 . 0 0 "[ . 1 . 2]" 2
142 1 29 GLU H 1 29 GLU HG3 4.000 . 6.000 3.455 2.581 4.051 . 0 0 "[ . 1 . 2]" 2
143 1 4 PRO HB2 1 4 PRO HD3 4.000 . 6.000 4.087 4.085 4.090 . 0 0 "[ . 1 . 2]" 2
144 1 14 ARG HB3 1 14 ARG HD2 4.000 . 6.000 3.101 2.199 4.207 . 0 0 "[ . 1 . 2]" 2
145 1 23 LYS H 1 23 LYS HB3 4.000 . 6.000 3.153 2.449 3.689 . 0 0 "[ . 1 . 2]" 2
146 1 77 SER HB2 1 83 VAL HB 4.000 . 6.000 4.018 1.810 6.457 0.457 15 0 "[ . 1 . 2]" 2
147 1 27 ALA H 1 28 MET HB2 4.000 . 6.000 4.360 3.972 5.422 . 0 0 "[ . 1 . 2]" 2
148 1 65 GLY HA2 1 68 GLN QB 4.000 . 6.000 3.717 3.096 5.243 . 0 0 "[ . 1 . 2]" 2
149 1 30 LYS QG 1 35 MET ME 4.000 . 6.000 2.621 1.809 3.664 . 0 0 "[ . 1 . 2]" 2
150 1 32 LYS HE2 1 32 LYS HG3 4.000 . 6.000 3.005 2.195 4.115 . 0 0 "[ . 1 . 2]" 2
151 1 48 LYS HE3 1 55 LEU HA 4.000 . 6.000 4.657 2.704 6.071 0.071 7 0 "[ . 1 . 2]" 2
152 1 48 LYS HB3 1 53 GLY HA3 4.000 . 6.000 4.174 2.554 5.375 . 0 0 "[ . 1 . 2]" 2
153 1 103 ARG HA 1 103 ARG HG2 4.000 . 6.000 3.271 2.201 4.237 . 0 0 "[ . 1 . 2]" 2
154 1 58 MET ME 1 62 SER HB2 4.000 . 6.000 4.759 2.921 5.961 . 0 0 "[ . 1 . 2]" 2
155 1 16 ILE HB 1 97 ILE MD 4.000 . 6.000 3.164 2.356 3.848 . 0 0 "[ . 1 . 2]" 2
156 1 25 MET ME 1 29 GLU HG3 4.000 . 6.000 2.769 1.792 5.650 0.008 3 0 "[ . 1 . 2]" 2
157 1 103 ARG HG2 1 104 LYS H 4.000 . 6.000 3.998 1.839 5.434 . 0 0 "[ . 1 . 2]" 2
158 1 22 GLY HA2 1 23 LYS QD 4.000 . 6.000 4.502 3.911 5.007 . 0 0 "[ . 1 . 2]" 2
159 1 58 MET H 1 58 MET HB3 4.000 . 6.000 3.497 3.006 3.822 . 0 0 "[ . 1 . 2]" 2
160 1 29 GLU H 1 29 GLU HG2 4.000 . 6.000 3.743 2.406 4.453 . 0 0 "[ . 1 . 2]" 2
161 1 76 VAL HA 1 100 VAL HB 4.000 . 6.000 2.406 1.821 3.866 . 0 0 "[ . 1 . 2]" 2
162 1 28 MET QG 1 31 LEU QD 4.000 . 6.000 4.329 3.407 4.966 . 0 0 "[ . 1 . 2]" 2
163 1 89 VAL HB 1 91 THR MG 4.000 . 6.000 4.081 3.382 5.473 . 0 0 "[ . 1 . 2]" 2
164 1 33 SER HB2 1 35 MET HA 4.000 . 6.000 4.996 4.594 5.726 . 0 0 "[ . 1 . 2]" 2
165 1 11 VAL HB 1 103 ARG QB 4.000 . 6.000 3.185 1.937 4.503 . 0 0 "[ . 1 . 2]" 2
166 1 36 ARG HD3 1 39 GLU HG3 4.000 . 6.000 2.919 2.517 4.568 . 0 0 "[ . 1 . 2]" 2
167 1 67 PHE QE 1 91 THR MG 4.000 . 6.000 3.395 2.315 4.412 . 0 0 "[ . 1 . 2]" 2
168 1 44 TYR H 1 44 TYR HB3 4.000 . 6.000 3.569 3.528 3.615 . 0 0 "[ . 1 . 2]" 2
169 1 38 ASN H 1 38 ASN HB2 4.000 . 6.000 2.929 2.078 3.615 . 0 0 "[ . 1 . 2]" 2
170 1 29 GLU HA 1 32 LYS HG3 4.000 . 6.000 3.864 3.012 4.792 . 0 0 "[ . 1 . 2]" 2
171 1 29 GLU HA 1 32 LYS HB2 4.000 . 6.000 2.904 2.178 4.702 . 0 0 "[ . 1 . 2]" 2
172 1 44 TYR H 1 44 TYR HB2 4.000 . 6.000 2.449 2.288 2.600 . 0 0 "[ . 1 . 2]" 2
173 1 58 MET H 1 58 MET HB2 4.000 . 6.000 2.609 2.460 2.925 . 0 0 "[ . 1 . 2]" 2
174 1 40 VAL MG2 1 41 ALA H 4.000 . 6.000 1.686 1.645 1.816 0.155 20 0 "[ . 1 . 2]" 2
175 1 92 LYS HB2 1 92 LYS HE3 4.000 . 6.000 3.457 1.940 4.538 . 0 0 "[ . 1 . 2]" 2
176 1 12 LYS HB2 1 102 GLY H 4.000 . 6.000 4.440 3.951 4.816 . 0 0 "[ . 1 . 2]" 2
177 1 99 MET HB2 1 100 VAL H 4.000 . 6.000 4.306 3.563 4.600 . 0 0 "[ . 1 . 2]" 2
178 1 63 MET HB3 1 68 GLN HG3 4.000 . 6.000 3.696 1.888 5.982 . 0 0 "[ . 1 . 2]" 2
179 1 11 VAL QG 1 103 ARG HD2 4.000 . 6.000 3.271 2.041 4.996 . 0 0 "[ . 1 . 2]" 2
180 1 31 LEU QD 1 51 GLN QG 4.000 . 6.000 3.751 2.382 4.791 . 0 0 "[ . 1 . 2]" 2
181 1 88 PRO HG3 1 97 ILE HG13 4.000 . 6.000 4.602 3.798 5.420 . 0 0 "[ . 1 . 2]" 2
182 1 97 ILE HA 1 98 ILE HB 4.000 . 6.000 4.391 4.123 5.314 . 0 0 "[ . 1 . 2]" 2
183 1 75 PRO HA 1 75 PRO HD3 4.000 . 6.000 3.680 3.477 3.769 . 0 0 "[ . 1 . 2]" 2
184 1 74 LEU QD 1 98 ILE HB 4.000 . 6.000 5.169 2.495 6.004 0.004 7 0 "[ . 1 . 2]" 2
185 1 55 LEU HB3 1 58 MET HG3 4.000 . 6.000 3.946 2.322 6.002 0.002 10 0 "[ . 1 . 2]" 2
186 1 48 LYS HB2 1 53 GLY HA3 4.000 . 6.000 5.383 4.264 6.073 0.073 4 0 "[ . 1 . 2]" 2
187 1 33 SER HB2 1 34 GLY HA3 4.000 . 6.000 4.312 3.983 4.768 . 0 0 "[ . 1 . 2]" 2
188 1 48 LYS HB3 1 48 LYS HD3 4.000 . 6.000 3.314 2.485 3.594 . 0 0 "[ . 1 . 2]" 2
189 1 65 GLY HA3 1 68 GLN QB 4.000 . 6.000 5.006 4.515 5.718 . 0 0 "[ . 1 . 2]" 2
190 1 38 ASN H 1 38 ASN HB3 4.000 . 6.000 2.679 2.134 3.560 . 0 0 "[ . 1 . 2]" 2
191 1 3 GLY HA2 1 4 PRO HA 4.000 . 6.000 4.509 4.373 4.785 . 0 0 "[ . 1 . 2]" 2
192 1 90 LYS HB3 1 90 LYS HD3 4.000 . 6.000 2.983 2.053 3.521 . 0 0 "[ . 1 . 2]" 2
193 1 58 MET ME 1 62 SER HB3 4.000 . 6.000 3.900 1.943 5.234 . 0 0 "[ . 1 . 2]" 2
194 1 26 GLU QG 1 30 LYS QE 4.000 . 6.000 4.035 3.272 4.850 . 0 0 "[ . 1 . 2]" 2
195 1 48 LYS HB2 1 55 LEU QD 4.000 . 6.000 4.557 3.435 5.533 . 0 0 "[ . 1 . 2]" 2
196 1 69 GLU HA 1 72 PHE HB2 4.000 . 6.000 4.508 3.132 6.219 0.219 7 0 "[ . 1 . 2]" 2
197 1 78 GLY QA 1 99 MET QG 4.000 . 6.000 2.890 1.774 4.453 0.026 15 0 "[ . 1 . 2]" 2
198 1 23 LYS HA 1 26 GLU HB2 4.000 . 6.000 1.913 1.816 2.315 . 0 0 "[ . 1 . 2]" 2
199 1 79 MET HG2 1 80 ASP HB2 4.000 . 6.000 4.273 2.981 6.998 0.998 5 2 "[ -+ 1 . 2]" 2
200 1 66 PRO HA 1 69 GLU HG3 4.000 . 6.000 3.291 2.120 4.225 . 0 0 "[ . 1 . 2]" 2
201 1 32 LYS H 1 32 LYS HG2 . . 3.500 3.545 2.268 4.421 0.921 11 3 "[ . 1+ * -2]" 2
202 1 22 GLY HA3 1 23 LYS QD 4.000 . 6.000 3.431 2.732 4.119 . 0 0 "[ . 1 . 2]" 2
203 1 30 LYS HA 1 35 MET ME 4.000 . 6.000 2.439 1.799 3.778 0.001 2 0 "[ . 1 . 2]" 2
204 1 74 LEU HA 1 85 THR MG 4.000 . 6.000 5.253 4.156 5.770 . 0 0 "[ . 1 . 2]" 2
205 1 25 MET HA 1 28 MET ME 4.000 . 6.000 3.402 2.730 4.296 . 0 0 "[ . 1 . 2]" 2
206 1 15 HIS QB 1 55 LEU QD 4.000 . 6.000 2.800 1.749 4.338 0.051 7 0 "[ . 1 . 2]" 2
207 1 24 ILE HG13 1 88 PRO HB2 4.000 . 6.000 4.360 3.745 5.342 . 0 0 "[ . 1 . 2]" 2
208 1 24 ILE HG13 1 97 ILE HG12 4.000 . 6.000 3.792 3.084 5.553 . 0 0 "[ . 1 . 2]" 2
209 1 30 LYS HA 1 30 LYS QE 4.000 . 6.000 3.786 2.275 4.605 . 0 0 "[ . 1 . 2]" 2
210 1 66 PRO HA 1 66 PRO HD2 4.000 . 6.000 4.087 4.081 4.091 . 0 0 "[ . 1 . 2]" 2
211 1 45 SER QB 1 47 ASP H 4.000 . 5.000 3.423 2.607 4.370 . 0 0 "[ . 1 . 2]" 2
212 1 63 MET HB3 1 68 GLN H 4.000 . 5.000 3.947 2.765 5.229 0.229 8 0 "[ . 1 . 2]" 2
213 1 16 ILE HB 1 97 ILE H 4.000 . 5.000 3.175 2.613 3.798 . 0 0 "[ . 1 . 2]" 2
214 1 64 VAL QG 1 68 GLN H 4.000 . 5.000 3.622 2.403 4.439 . 0 0 "[ . 1 . 2]" 2
215 1 36 ARG HG2 1 38 ASN H 4.000 . 5.000 5.180 5.099 5.303 0.303 11 0 "[ . 1 . 2]" 2
216 1 38 ASN H 1 39 GLU HG2 4.000 . 5.000 4.176 3.513 5.960 0.960 15 2 "[ . 1 -+ 2]" 2
217 1 30 LYS H 1 40 VAL QG 4.000 . 5.000 4.346 3.973 4.780 . 0 0 "[ . 1 . 2]" 2
218 1 36 ARG HB2 1 39 GLU H 4.000 . 5.000 3.205 2.054 3.965 . 0 0 "[ . 1 . 2]" 2
219 1 18 CYS QB 1 24 ILE H 3.000 . 3.500 2.514 2.031 2.866 . 0 0 "[ . 1 . 2]" 2
220 1 25 MET ME 1 29 GLU H 4.000 . 5.000 2.787 1.804 5.048 0.048 2 0 "[ . 1 . 2]" 2
221 1 67 PHE HA 1 70 ALA H 4.000 . 5.000 4.245 3.875 4.874 . 0 0 "[ . 1 . 2]" 2
222 1 51 GLN HB2 1 54 ASP H 4.000 . 5.000 4.992 4.607 5.147 0.147 9 0 "[ . 1 . 2]" 2
223 1 51 GLN HB3 1 54 ASP H 4.000 . 5.000 4.373 3.272 5.308 0.308 15 0 "[ . 1 . 2]" 2
224 1 77 SER H 1 101 GLU HB2 4.000 . 5.000 4.347 3.303 5.018 0.018 13 0 "[ . 1 . 2]" 2
225 1 27 ALA H 1 97 ILE MD 4.000 . 5.000 4.256 3.919 4.607 . 0 0 "[ . 1 . 2]" 2
226 1 70 ALA MB 1 73 ALA H 4.000 . 5.000 4.813 4.389 5.050 0.050 2 0 "[ . 1 . 2]" 2
227 1 24 ILE MD 1 96 HIS H 4.000 . 5.000 4.341 3.647 4.900 . 0 0 "[ . 1 . 2]" 2
228 1 40 VAL H 1 44 TYR HB2 4.000 . 5.000 5.034 4.699 5.179 0.179 9 0 "[ . 1 . 2]" 2
229 1 14 ARG HG3 1 55 LEU H 4.000 . 6.000 4.968 3.267 6.669 0.669 5 1 "[ + 1 . 2]" 2
230 1 25 MET QB 1 27 ALA H 4.000 . 6.000 4.357 4.091 4.665 . 0 0 "[ . 1 . 2]" 2
231 1 29 GLU HB2 1 31 LEU H 4.000 . 6.000 5.499 4.793 5.871 . 0 0 "[ . 1 . 2]" 2
232 1 36 ARG H 1 39 GLU HG3 4.000 . 6.000 4.993 4.369 6.907 0.907 14 1 "[ . 1 +. 2]" 2
233 1 60 ARG QG 1 68 GLN QE 4.000 . 6.000 2.838 1.827 4.131 . 0 0 "[ . 1 . 2]" 2
234 1 60 ARG QG 1 68 GLN H 4.000 . 6.000 5.641 5.339 5.797 . 0 0 "[ . 1 . 2]" 2
235 1 69 GLU H 1 70 ALA MB 4.000 . 6.000 4.442 4.093 4.652 . 0 0 "[ . 1 . 2]" 2
236 1 73 ALA H 1 74 LEU HG 4.000 . 6.000 4.561 3.639 6.013 0.013 6 0 "[ . 1 . 2]" 2
237 1 73 ALA H 1 74 LEU HB2 4.000 . 6.000 4.532 3.797 6.081 0.081 10 0 "[ . 1 . 2]" 2
238 1 70 ALA H 1 73 ALA MB 4.000 . 6.000 4.301 3.877 4.755 . 0 0 "[ . 1 . 2]" 2
239 1 55 LEU HG 1 56 GLY H 4.000 . 6.000 4.648 2.002 5.392 . 0 0 "[ . 1 . 2]" 2
240 1 90 LYS H 1 91 THR MG 4.000 . 6.000 4.145 3.644 5.062 . 0 0 "[ . 1 . 2]" 2
241 1 13 VAL QG 1 55 LEU H 4.000 . 6.000 3.825 3.188 5.225 . 0 0 "[ . 1 . 2]" 2
242 1 19 GLU H 1 46 GLU QB 4.000 . 6.000 3.509 2.082 5.834 . 0 0 "[ . 1 . 2]" 2
243 1 78 GLY H 1 83 VAL QG 4.000 . 6.000 3.920 2.642 5.394 . 0 0 "[ . 1 . 2]" 2
244 1 19 GLU H 1 20 LYS QB 4.000 . 6.000 5.180 4.312 5.726 . 0 0 "[ . 1 . 2]" 2
245 1 89 VAL H 1 97 ILE HA 4.000 . 6.000 3.423 3.249 3.780 . 0 0 "[ . 1 . 2]" 2
246 1 70 ALA H 1 71 ALA MB 4.000 . 6.000 4.192 3.982 4.533 . 0 0 "[ . 1 . 2]" 2
247 1 55 LEU QD 1 56 GLY H 4.000 . 6.000 3.799 3.000 4.170 . 0 0 "[ . 1 . 2]" 2
248 1 30 LYS HB3 1 40 VAL H 4.000 . 6.000 5.295 4.907 5.804 . 0 0 "[ . 1 . 2]" 2
249 1 12 LYS QE 1 57 TRP H 4.000 . 6.000 2.852 1.850 3.657 . 0 0 "[ . 1 . 2]" 2
250 1 11 VAL H 1 104 LYS QD 4.000 . 6.000 5.452 5.044 5.808 . 0 0 "[ . 1 . 2]" 2
251 1 52 GLY QA 1 54 ASP H 4.000 . 6.000 3.924 3.289 4.570 . 0 0 "[ . 1 . 2]" 2
252 1 62 SER H 1 63 MET HB3 4.000 . 6.000 5.083 4.380 5.561 . 0 0 "[ . 1 . 2]" 2
253 1 39 GLU H 1 40 VAL HB 4.000 . 6.000 6.088 5.705 6.158 0.158 10 0 "[ . 1 . 2]" 2
254 1 38 ASN QD 1 51 GLN HB3 4.000 . 6.000 5.401 3.987 6.627 0.627 6 1 "[ .+ 1 . 2]" 2
255 1 78 GLY H 1 99 MET QG 4.000 . 6.000 3.939 2.008 5.389 . 0 0 "[ . 1 . 2]" 2
256 1 76 VAL H 1 100 VAL HB 4.000 . 6.000 4.969 3.751 6.117 0.117 11 0 "[ . 1 . 2]" 2
257 1 70 ALA H 1 74 LEU QD 4.000 . 6.000 4.506 4.124 4.872 . 0 0 "[ . 1 . 2]" 2
258 1 65 GLY HA2 1 68 GLN QE 4.000 . 6.000 4.515 3.204 5.692 . 0 0 "[ . 1 . 2]" 2
259 1 14 ARG HB2 1 54 ASP H 4.000 . 6.000 5.569 4.011 6.600 0.600 19 1 "[ . 1 . +2]" 2
260 1 46 GLU H 1 49 ALA HA 4.000 . 6.000 5.645 4.527 6.125 0.125 17 0 "[ . 1 . 2]" 2
261 1 63 MET HG2 1 64 VAL H 4.000 . 6.000 3.704 2.245 5.065 . 0 0 "[ . 1 . 2]" 2
262 1 37 PHE H 1 51 GLN QG 4.000 . 6.000 5.381 4.405 5.865 . 0 0 "[ . 1 . 2]" 2
263 1 38 ASN H 1 51 GLN HB2 4.000 . 6.000 5.035 4.130 6.001 0.001 4 0 "[ . 1 . 2]" 2
264 1 64 VAL H 1 67 PHE HB2 4.000 . 6.000 4.302 2.395 6.313 0.313 1 0 "[ . 1 . 2]" 2
265 1 70 ALA MB 1 72 PHE H 4.000 . 6.000 4.515 4.066 5.125 . 0 0 "[ . 1 . 2]" 2
266 1 28 MET HA 1 30 LYS H 4.000 . 6.000 5.223 4.912 5.495 . 0 0 "[ . 1 . 2]" 2
267 1 41 ALA H 1 45 SER QB 4.000 . 6.000 4.919 4.274 5.666 . 0 0 "[ . 1 . 2]" 2
268 1 41 ALA HA 1 43 GLN H 4.000 . 6.000 5.114 4.737 5.391 . 0 0 "[ . 1 . 2]" 2
269 1 17 LEU HG 1 19 GLU H 4.000 . 6.000 4.567 2.697 6.115 0.115 15 0 "[ . 1 . 2]" 2
270 1 67 PHE HA 1 69 GLU H 4.000 . 6.000 4.893 4.585 5.528 . 0 0 "[ . 1 . 2]" 2
271 1 91 THR MG 1 96 HIS H 4.000 . 6.000 4.359 3.766 4.931 . 0 0 "[ . 1 . 2]" 2
272 1 90 LYS QG 1 93 PHE H 4.000 . 6.000 3.803 2.622 4.750 . 0 0 "[ . 1 . 2]" 2
273 1 17 LEU QB 1 96 HIS H 4.000 . 6.000 5.079 4.056 5.856 . 0 0 "[ . 1 . 2]" 2
274 1 18 CYS QB 1 23 LYS H 4.000 . 6.000 2.984 2.556 3.828 . 0 0 "[ . 1 . 2]" 2
275 1 39 GLU H 1 42 ALA H 4.000 . 6.000 4.360 4.110 4.546 . 0 0 "[ . 1 . 2]" 2
276 1 43 GLN HB2 1 45 SER H 4.000 . 6.000 5.060 4.797 5.509 . 0 0 "[ . 1 . 2]" 2
277 1 37 PHE H 1 39 GLU HG2 4.000 . 6.000 5.040 4.266 6.473 0.473 14 0 "[ . 1 . 2]" 2
278 1 16 ILE H 1 97 ILE MG 4.000 . 6.000 4.267 3.764 4.905 . 0 0 "[ . 1 . 2]" 2
279 1 101 GLU HG3 1 102 GLY H 4.000 . 6.000 4.620 3.186 5.567 . 0 0 "[ . 1 . 2]" 2
280 1 13 VAL QG 1 15 HIS H 4.000 . 6.000 4.625 3.495 5.528 . 0 0 "[ . 1 . 2]" 2
281 1 75 PRO HD3 1 84 PHE H 4.000 . 6.000 4.664 3.323 6.060 0.060 19 0 "[ . 1 . 2]" 2
282 1 66 PRO HA 1 70 ALA H 4.000 . 6.000 3.995 3.182 4.478 . 0 0 "[ . 1 . 2]" 2
283 1 101 GLU H 1 102 GLY HA3 4.000 . 6.000 4.756 4.413 5.110 . 0 0 "[ . 1 . 2]" 2
284 1 64 VAL QG 1 69 GLU H 4.000 . 6.000 5.242 4.153 6.016 0.016 2 0 "[ . 1 . 2]" 2
285 1 28 MET HA 1 80 ASP H 4.000 . 6.000 5.361 3.630 6.076 0.076 19 0 "[ . 1 . 2]" 2
286 1 78 GLY H 1 82 PRO HB3 4.000 . 6.000 4.351 1.691 6.307 0.307 17 0 "[ . 1 . 2]" 2
287 1 22 GLY H 1 24 ILE H 4.000 . 6.000 3.487 3.303 3.807 . 0 0 "[ . 1 . 2]" 2
288 1 55 LEU H 1 56 GLY HA3 4.000 . 6.000 5.457 5.225 5.672 . 0 0 "[ . 1 . 2]" 2
289 1 90 LYS HD3 1 91 THR H 4.000 . 6.000 4.344 3.208 5.378 . 0 0 "[ . 1 . 2]" 2
290 1 26 GLU HB3 1 44 TYR QE 3.000 . 3.500 2.588 1.835 3.504 0.004 17 0 "[ . 1 . 2]" 2
291 1 63 MET HB3 1 67 PHE QD 4.000 . 5.000 4.247 2.437 5.007 0.007 14 0 "[ . 1 . 2]" 2
292 1 67 PHE QD 1 91 THR MG 4.000 . 5.000 2.127 1.821 2.776 . 0 0 "[ . 1 . 2]" 2
293 1 75 PRO HB2 1 84 PHE QE 4.000 . 5.000 4.911 4.371 5.400 0.400 8 0 "[ . 1 . 2]" 2
294 1 27 ALA HA 1 44 TYR QD 4.000 . 5.000 1.994 1.818 3.108 . 0 0 "[ . 1 . 2]" 2
295 1 13 VAL QG 1 67 PHE QE 4.000 . 5.000 2.874 1.814 4.028 . 0 0 "[ . 1 . 2]" 2
296 1 30 LYS QG 1 44 TYR QD 4.000 . 5.000 4.087 3.199 4.766 . 0 0 "[ . 1 . 2]" 2
297 1 71 ALA MB 1 72 PHE QD 4.000 . 5.000 3.623 2.369 5.063 0.063 7 0 "[ . 1 . 2]" 2
298 1 37 PHE QD 1 99 MET ME 4.000 . 5.000 3.891 2.670 5.012 0.012 8 0 "[ . 1 . 2]" 2
299 1 60 ARG HB3 1 72 PHE HZ 4.000 . 5.000 4.458 3.618 5.606 0.606 15 1 "[ . 1 + 2]" 2
300 1 37 PHE QD 1 51 GLN QG 4.000 . 6.000 2.882 1.856 4.086 . 0 0 "[ . 1 . 2]" 2
301 1 43 GLN HB3 1 44 TYR QE 4.000 . 6.000 3.984 3.212 4.707 . 0 0 "[ . 1 . 2]" 2
302 1 21 HIS HE1 1 95 TYR HB2 4.000 . 6.000 3.072 1.880 4.111 . 0 0 "[ . 1 . 2]" 2
303 1 26 GLU HB2 1 44 TYR QD 4.000 . 6.000 4.831 3.735 5.827 . 0 0 "[ . 1 . 2]" 2
304 1 26 GLU HB2 1 44 TYR QE 4.000 . 6.000 4.128 2.841 5.137 . 0 0 "[ . 1 . 2]" 2
305 1 21 HIS HA 1 95 TYR QD 4.000 . 6.000 4.819 4.025 5.670 . 0 0 "[ . 1 . 2]" 2
306 1 25 MET O 1 29 GLU H 2.300 . 2.500 1.661 1.462 2.241 0.038 17 0 "[ . 1 . 2]" 2
307 1 25 MET O 1 29 GLU N 3.300 2.500 3.500 2.601 2.429 3.115 0.071 17 0 "[ . 1 . 2]" 2
308 1 26 GLU O 1 30 LYS H 2.300 . 2.500 2.013 1.589 2.357 . 0 0 "[ . 1 . 2]" 2
309 1 26 GLU O 1 30 LYS N 3.300 2.500 3.500 2.835 2.413 3.197 0.087 19 0 "[ . 1 . 2]" 2
310 1 27 ALA O 1 31 LEU H 2.300 . 2.500 2.512 2.336 2.622 0.122 14 0 "[ . 1 . 2]" 2
311 1 27 ALA O 1 31 LEU N 3.300 2.500 3.500 3.344 3.048 3.448 . 0 0 "[ . 1 . 2]" 2
312 1 28 MET O 1 32 LYS H 2.300 . 2.500 2.407 1.940 2.555 0.055 8 0 "[ . 1 . 2]" 2
313 1 28 MET O 1 32 LYS N 3.300 2.500 3.500 3.192 2.739 3.363 . 0 0 "[ . 1 . 2]" 2
314 1 29 GLU O 1 33 SER H 2.300 . 2.500 1.780 1.486 2.066 0.014 16 0 "[ . 1 . 2]" 2
315 1 29 GLU O 1 33 SER N 3.300 2.500 3.500 2.599 2.449 2.898 0.051 16 0 "[ . 1 . 2]" 2
316 1 37 PHE O 1 41 ALA H 2.300 . 2.500 2.493 2.155 2.660 0.160 17 0 "[ . 1 . 2]" 2
317 1 37 PHE O 1 41 ALA N 3.300 2.500 3.500 3.332 2.973 3.558 0.058 5 0 "[ . 1 . 2]" 2
318 1 38 ASN O 1 42 ALA H 2.300 . 2.500 1.758 1.499 2.094 0.001 18 0 "[ . 1 . 2]" 2
319 1 38 ASN O 1 42 ALA N 3.300 2.500 3.500 2.558 2.356 2.801 0.144 17 0 "[ . 1 . 2]" 2
320 1 39 GLU O 1 43 GLN H 2.300 . 2.500 2.409 2.026 2.660 0.160 9 0 "[ . 1 . 2]" 2
321 1 39 GLU O 1 43 GLN N 3.300 2.500 3.500 3.277 2.860 3.512 0.012 9 0 "[ . 1 . 2]" 2
322 1 40 VAL O 1 44 TYR H 2.300 . 2.500 1.998 1.669 2.446 . 0 0 "[ . 1 . 2]" 2
323 1 40 VAL O 1 44 TYR N 3.300 2.500 3.500 2.514 2.406 2.747 0.094 5 0 "[ . 1 . 2]" 2
324 1 66 PRO O 1 70 ALA H 2.300 . 2.500 2.195 1.736 2.518 0.018 14 0 "[ . 1 . 2]" 2
325 1 66 PRO O 1 70 ALA N 3.300 2.500 3.500 3.088 2.627 3.469 . 0 0 "[ . 1 . 2]" 2
326 1 11 VAL H 1 58 MET O 2.300 . 2.500 2.445 2.082 2.541 0.041 20 0 "[ . 1 . 2]" 2
327 1 11 VAL O 1 58 MET H 2.300 . 2.500 2.471 2.313 2.543 0.043 4 0 "[ . 1 . 2]" 2
328 1 12 LYS H 1 101 GLU O 2.300 . 2.500 2.764 2.706 2.840 0.340 14 0 "[ . 1 . 2]" 2
329 1 12 LYS O 1 101 GLU H 2.300 . 2.500 1.850 1.614 2.077 . 0 0 "[ . 1 . 2]" 2
330 1 14 ARG H 1 99 MET O 2.300 . 2.500 2.207 1.896 2.576 0.076 12 0 "[ . 1 . 2]" 2
331 1 14 ARG O 1 99 MET H 2.300 . 2.500 2.209 1.756 2.524 0.024 5 0 "[ . 1 . 2]" 2
332 1 16 ILE H 1 97 ILE O 2.300 . 2.500 2.435 1.794 2.560 0.060 13 0 "[ . 1 . 2]" 2
333 1 16 ILE O 1 97 ILE H 2.300 . 2.500 1.749 1.497 2.073 0.003 9 0 "[ . 1 . 2]" 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 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 89 VAL H 1 96 HIS O 2.300 . 2.500 1.843 1.593 2.141 . 0 0 "[ . 1 . 2]" 3
2 1 89 VAL O 1 96 HIS H 2.300 . 2.500 1.916 1.710 2.118 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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