NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432014 |
2jrh   |
15332 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jrh
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 1029
_Distance_constraint_stats_list.Viol_count 422
_Distance_constraint_stats_list.Viol_total 230.614
_Distance_constraint_stats_list.Viol_max 0.184
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0273
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLN 0.065 0.065 13 0 "[ . 1 . 2]"
1 3 SER 0.237 0.065 13 0 "[ . 1 . 2]"
1 4 ASP 0.237 0.047 8 0 "[ . 1 . 2]"
1 5 VAL 0.220 0.053 20 0 "[ . 1 . 2]"
1 6 ARG 0.016 0.014 8 0 "[ . 1 . 2]"
1 7 ILE 0.016 0.010 4 0 "[ . 1 . 2]"
1 8 LYS 0.017 0.017 15 0 "[ . 1 . 2]"
1 9 PHE 0.119 0.020 2 0 "[ . 1 . 2]"
1 10 GLU 0.083 0.026 15 0 "[ . 1 . 2]"
1 11 HIS 0.065 0.025 8 0 "[ . 1 . 2]"
1 12 ASN 0.040 0.025 8 0 "[ . 1 . 2]"
1 13 GLY 0.016 0.016 19 0 "[ . 1 . 2]"
1 14 GLU 0.020 0.020 15 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ARG 0.030 0.016 11 0 "[ . 1 . 2]"
1 17 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.020 0.014 8 0 "[ . 1 . 2]"
1 21 SER 0.140 0.047 8 0 "[ . 1 . 2]"
1 22 ARG 0.265 0.053 20 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.008 0.004 15 0 "[ . 1 . 2]"
1 25 LYS 0.085 0.022 1 0 "[ . 1 . 2]"
1 26 TYR 0.057 0.031 3 0 "[ . 1 . 2]"
1 27 GLU 0.004 0.004 5 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.008 0.004 15 0 "[ . 1 . 2]"
1 30 GLU 0.012 0.012 14 0 "[ . 1 . 2]"
1 31 HIS 0.012 0.012 14 0 "[ . 1 . 2]"
1 32 LYS 0.124 0.020 3 0 "[ . 1 . 2]"
1 33 VAL 0.056 0.027 18 0 "[ . 1 . 2]"
1 34 THR 0.137 0.111 16 0 "[ . 1 . 2]"
1 35 THR 0.610 0.053 6 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PHE 0.383 0.044 8 0 "[ . 1 . 2]"
1 38 GLY 1.022 0.062 6 0 "[ . 1 . 2]"
1 39 GLN 0.429 0.062 6 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.375 0.034 18 0 "[ . 1 . 2]"
1 42 ASP 0.010 0.009 11 0 "[ . 1 . 2]"
1 43 LEU 0.008 0.005 8 0 "[ . 1 . 2]"
1 44 HIS 0.217 0.039 11 0 "[ . 1 . 2]"
1 45 TYR 0.876 0.060 18 0 "[ . 1 . 2]"
1 46 MET 0.098 0.022 6 0 "[ . 1 . 2]"
1 47 ASN 0.395 0.049 20 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.027 0.021 20 0 "[ . 1 . 2]"
1 50 LEU 0.609 0.049 20 0 "[ . 1 . 2]"
1 51 SER 0.243 0.036 4 0 "[ . 1 . 2]"
1 52 ILE 0.420 0.064 4 0 "[ . 1 . 2]"
1 53 LEU 0.383 0.038 6 0 "[ . 1 . 2]"
1 54 LEU 0.175 0.033 13 0 "[ . 1 . 2]"
1 55 LYS 0.514 0.066 19 0 "[ . 1 . 2]"
1 56 ASN 0.482 0.066 19 0 "[ . 1 . 2]"
1 57 GLN 0.251 0.033 20 0 "[ . 1 . 2]"
1 58 ASP 0.048 0.048 1 0 "[ . 1 . 2]"
1 59 ASP 0.353 0.052 8 0 "[ . 1 . 2]"
1 60 LEU 0.059 0.053 10 0 "[ . 1 . 2]"
1 61 ASP 0.357 0.055 1 0 "[ . 1 . 2]"
1 62 LYS 0.075 0.055 1 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.022 0.022 16 0 "[ . 1 . 2]"
1 67 LEU 0.191 0.087 20 0 "[ . 1 . 2]"
1 68 ASP 0.146 0.087 20 0 "[ . 1 . 2]"
1 69 ARG 0.370 0.031 13 0 "[ . 1 . 2]"
1 70 SER 0.392 0.031 13 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.343 0.061 5 0 "[ . 1 . 2]"
1 73 MET 0.224 0.061 5 0 "[ . 1 . 2]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.044 0.020 16 0 "[ . 1 . 2]"
1 76 LEU 0.013 0.013 6 0 "[ . 1 . 2]"
1 77 ARG 0.053 0.026 18 0 "[ . 1 . 2]"
1 78 ILE 0.016 0.010 4 0 "[ . 1 . 2]"
1 79 LEU 0.065 0.037 15 0 "[ . 1 . 2]"
1 80 LEU 0.225 0.027 9 0 "[ . 1 . 2]"
1 81 LEU 0.220 0.039 11 0 "[ . 1 . 2]"
1 82 SER 0.055 0.023 17 0 "[ . 1 . 2]"
1 83 GLN 3.698 0.184 1 0 "[ . 1 . 2]"
1 84 ASP 3.637 0.184 1 0 "[ . 1 . 2]"
1 85 ARG 0.205 0.042 14 0 "[ . 1 . 2]"
1 86 ASN 0.109 0.042 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN HA 1 2 GLN QG 1.800 . 4.000 2.359 2.015 3.381 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN QB 1 3 SER H 1.800 . 5.000 3.418 1.980 4.039 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HA 1 3 SER H 1.800 . 3.500 2.467 2.148 3.565 0.065 13 0 "[ . 1 . 2]" 1
4 1 3 SER HA 1 4 ASP H 1.800 . 3.000 2.408 2.199 2.790 . 0 0 "[ . 1 . 2]" 1
5 1 3 SER QB 1 4 ASP H 1.800 . 4.000 2.984 2.151 4.042 0.042 9 0 "[ . 1 . 2]" 1
6 1 3 SER H 1 4 ASP H 1.800 . 4.500 4.058 2.742 4.523 0.023 10 0 "[ . 1 . 2]" 1
7 1 3 SER H 1 3 SER HG 1.800 . 4.500 3.789 2.800 4.555 0.055 16 0 "[ . 1 . 2]" 1
8 1 3 SER HA 1 22 ARG HE 1.800 . 5.500 4.204 2.670 5.388 . 0 0 "[ . 1 . 2]" 1
9 1 3 SER QB 1 22 ARG HE 1.800 . 6.000 5.353 3.352 6.032 0.032 2 0 "[ . 1 . 2]" 1
10 1 3 SER HA 1 22 ARG H 1.800 . 5.500 4.060 2.504 5.129 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASP H 1 4 ASP QB 1.800 . 3.500 3.107 2.621 3.442 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASP HA 1 5 VAL H 1.800 . 3.000 2.234 2.126 2.503 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASP H 1 5 VAL H 1.800 . 4.500 3.729 3.144 4.490 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASP QB 1 5 VAL H 1.800 . 4.000 3.518 2.239 3.973 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASP H 1 21 SER HA 1.800 . 4.000 3.543 2.703 4.047 0.047 8 0 "[ . 1 . 2]" 1
16 1 4 ASP QB 1 20 PHE H 1.800 . 5.500 4.399 2.688 5.115 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASP HA 1 20 PHE H 1.800 . 5.500 3.995 3.332 4.545 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASP HA 1 22 ARG H 1.800 . 4.000 3.526 2.505 4.007 0.007 15 0 "[ . 1 . 2]" 1
19 1 4 ASP HA 1 21 SER HA 1.800 . 4.000 2.351 1.950 3.047 . 0 0 "[ . 1 . 2]" 1
20 1 4 ASP QB 1 19 ALA MB 1.800 . 5.000 3.378 1.930 4.279 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASP QB 1 19 ALA HA 1.800 . 5.500 4.963 3.700 5.460 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL H 1 5 VAL HB 1.800 . 3.500 2.698 2.594 3.011 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL HA 1 6 ARG H 1.800 . 3.000 2.170 2.143 2.249 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL HB 1 6 ARG H 1.800 . 4.500 4.110 3.809 4.381 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL QG 1 6 ARG H 1.800 . 5.000 2.584 2.107 3.115 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL HA 1 5 VAL QG 1.800 . 4.000 2.097 2.039 2.169 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL H 1 5 VAL MG1 1.800 . 4.000 3.853 3.782 3.999 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL H 1 5 VAL MG2 1.800 . 5.000 2.385 2.052 2.911 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL MG1 1 7 ILE QG 1.800 . 4.000 2.651 2.178 3.398 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL MG1 1 7 ILE MG 1.800 . 6.000 4.431 4.150 4.932 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL H 1 20 PHE H 1.800 . 4.000 2.979 2.096 3.735 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL H 1 19 ALA MB 1.800 . 6.000 4.476 3.532 5.621 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL HB 1 20 PHE H 1.800 . 5.000 3.774 3.133 4.405 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL H 1 20 PHE QB 1.800 . 5.500 3.642 3.118 4.145 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL HB 1 20 PHE QB 1.800 . 5.000 3.155 2.236 3.864 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL QG 1 20 PHE QB 1.800 . 6.000 3.650 3.005 4.168 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL H 1 21 SER HA 1.800 . 4.000 3.667 3.118 3.922 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL MG1 1 22 ARG HE 1.800 . 4.500 4.315 3.746 4.553 0.053 20 0 "[ . 1 . 2]" 1
39 1 5 VAL H 1 22 ARG HE 1.800 . 6.000 4.462 3.726 5.252 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL H 1 22 ARG H 1.800 . 6.000 4.510 3.697 5.786 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL HB 1 24 VAL MG1 1.800 . 5.500 4.038 3.482 4.730 . 0 0 "[ . 1 . 2]" 1
42 1 5 VAL QG 1 24 VAL MG1 1.800 . 6.000 3.169 2.319 4.033 . 0 0 "[ . 1 . 2]" 1
43 1 5 VAL QG 1 64 ILE MD 1.800 . 5.000 3.576 2.764 4.665 . 0 0 "[ . 1 . 2]" 1
44 1 5 VAL QG 1 64 ILE QG 1.800 . 6.000 3.690 2.469 5.015 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL QG 1 64 ILE MG 1.800 . 6.000 3.328 1.993 4.096 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL MG1 1 67 LEU QD 1.800 . 6.000 3.538 2.492 4.618 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL MG1 1 76 LEU QB 1.800 . 5.000 4.126 3.197 4.831 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL MG1 1 76 LEU HG 1.800 . 5.000 4.339 3.648 4.984 . 0 0 "[ . 1 . 2]" 1
49 1 6 ARG H 1 6 ARG QD 1.800 . 5.000 3.979 3.111 4.666 . 0 0 "[ . 1 . 2]" 1
50 1 6 ARG HA 1 7 ILE H 1.800 . 3.000 2.153 2.133 2.174 . 0 0 "[ . 1 . 2]" 1
51 1 6 ARG QB 1 7 ILE H 1.800 . 4.500 3.552 3.316 3.851 . 0 0 "[ . 1 . 2]" 1
52 1 6 ARG H 1 6 ARG QB 1.800 . 3.300 2.254 2.126 2.512 . 0 0 "[ . 1 . 2]" 1
53 1 6 ARG H 1 6 ARG QG 1.800 . 4.000 3.350 2.511 3.989 . 0 0 "[ . 1 . 2]" 1
54 1 6 ARG HA 1 6 ARG QG 1.800 . 4.000 2.211 2.024 2.480 . 0 0 "[ . 1 . 2]" 1
55 1 6 ARG QB 1 6 ARG QD 1.800 . 4.000 2.042 1.931 2.247 . 0 0 "[ . 1 . 2]" 1
56 1 6 ARG QD 1 17 ILE MG 1.800 . 5.000 3.374 1.957 4.630 . 0 0 "[ . 1 . 2]" 1
57 1 6 ARG QB 1 17 ILE MG 1.800 . 4.500 3.216 2.370 4.250 . 0 0 "[ . 1 . 2]" 1
58 1 6 ARG QG 1 17 ILE MG 1.800 . 4.500 2.778 1.838 3.996 . 0 0 "[ . 1 . 2]" 1
59 1 6 ARG HA 1 17 ILE MG 1.800 . 5.500 3.979 3.307 4.543 . 0 0 "[ . 1 . 2]" 1
60 1 6 ARG HA 1 19 ALA HA 1.800 . 4.000 2.445 2.030 3.212 . 0 0 "[ . 1 . 2]" 1
61 1 6 ARG HA 1 19 ALA MB 1.800 . 5.000 3.480 2.947 4.505 . 0 0 "[ . 1 . 2]" 1
62 1 6 ARG QD 1 19 ALA MB 1.800 . 6.000 4.038 2.513 5.489 . 0 0 "[ . 1 . 2]" 1
63 1 6 ARG QG 1 19 ALA MB 1.800 . 5.000 2.816 2.053 3.817 . 0 0 "[ . 1 . 2]" 1
64 1 6 ARG HA 1 19 ALA H 1.800 . 6.000 4.802 4.270 5.602 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG QG 1 19 ALA H 1.800 . 5.500 4.607 3.586 5.451 . 0 0 "[ . 1 . 2]" 1
66 1 6 ARG HA 1 20 PHE H 1.800 . 4.000 3.697 3.224 4.014 0.014 8 0 "[ . 1 . 2]" 1
67 1 6 ARG QB 1 75 SER QB 1.800 . 4.000 3.434 2.502 3.988 . 0 0 "[ . 1 . 2]" 1
68 1 6 ARG QB 1 75 SER HA 1.800 . 4.000 3.360 2.796 4.002 0.002 14 0 "[ . 1 . 2]" 1
69 1 7 ILE H 1 7 ILE QG 1.800 . 4.500 2.566 2.277 3.293 . 0 0 "[ . 1 . 2]" 1
70 1 7 ILE H 1 7 ILE MG 1.800 . 5.000 3.866 3.845 3.894 . 0 0 "[ . 1 . 2]" 1
71 1 7 ILE HA 1 8 LYS H 1.800 . 3.000 2.162 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
72 1 7 ILE HB 1 8 LYS H 1.800 . 5.000 4.091 3.959 4.225 . 0 0 "[ . 1 . 2]" 1
73 1 7 ILE MG 1 8 LYS H 1.800 . 4.000 2.567 2.288 2.855 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE H 1 7 ILE HB 1.800 . 3.500 2.685 2.637 2.729 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE H 1 7 ILE MD 1.800 . 5.000 3.248 2.053 3.946 . 0 0 "[ . 1 . 2]" 1
76 1 7 ILE HA 1 7 ILE QG 1.800 . 4.000 2.573 2.429 3.060 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE HA 1 7 ILE MG 1.800 . 5.000 2.301 2.217 2.393 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE H 1 18 ILE H 1.800 . 4.500 3.334 2.889 3.763 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE H 1 19 ALA HA 1.800 . 4.000 3.357 3.024 3.939 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE H 1 19 ALA MB 1.800 . 6.000 4.682 4.302 5.295 . 0 0 "[ . 1 . 2]" 1
81 1 7 ILE H 1 20 PHE QD 1.800 . 5.000 4.010 3.380 4.986 . 0 0 "[ . 1 . 2]" 1
82 1 7 ILE H 1 20 PHE QE 1.800 . 6.000 5.277 4.155 6.006 0.006 19 0 "[ . 1 . 2]" 1
83 1 7 ILE MG 1 9 PHE H 1.800 . 6.000 4.266 4.030 4.537 . 0 0 "[ . 1 . 2]" 1
84 1 7 ILE QG 1 20 PHE H 1.800 . 6.000 4.430 3.506 5.214 . 0 0 "[ . 1 . 2]" 1
85 1 7 ILE QG 1 20 PHE QD 1.800 . 5.000 3.432 2.417 4.218 . 0 0 "[ . 1 . 2]" 1
86 1 7 ILE QG 1 20 PHE QE 1.800 . 6.000 4.711 3.481 5.641 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE HA 1 76 LEU H 1.800 . 4.000 2.618 2.112 3.240 . 0 0 "[ . 1 . 2]" 1
88 1 7 ILE MG 1 76 LEU H 1.800 . 6.000 3.825 3.370 4.280 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE QG 1 76 LEU H 1.800 . 6.000 4.388 3.468 5.676 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE MG 1 78 ILE H 1.800 . 6.000 3.970 3.202 4.506 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE MG 1 78 ILE HB 1.800 . 5.000 3.333 2.785 3.765 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE MG 1 78 ILE MD 1.800 . 4.000 2.060 1.790 3.085 0.010 4 0 "[ . 1 . 2]" 1
93 1 7 ILE MG 1 78 ILE QG 1.800 . 5.000 2.985 1.856 3.756 . 0 0 "[ . 1 . 2]" 1
94 1 7 ILE HA 1 76 LEU QB 1.800 . 4.000 2.517 1.918 3.996 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE MG 1 76 LEU QB 1.800 . 4.500 2.268 1.855 3.467 . 0 0 "[ . 1 . 2]" 1
96 1 7 ILE QG 1 76 LEU QB 1.800 . 4.500 3.166 2.279 4.392 . 0 0 "[ . 1 . 2]" 1
97 1 7 ILE MG 1 9 PHE HA 1.800 . 5.500 4.202 4.050 4.366 . 0 0 "[ . 1 . 2]" 1
98 1 7 ILE HA 1 75 SER QB 1.800 . 6.000 4.066 2.693 4.860 . 0 0 "[ . 1 . 2]" 1
99 1 7 ILE MG 1 77 ARG HA 1.800 . 6.000 5.168 4.452 5.666 . 0 0 "[ . 1 . 2]" 1
100 1 8 LYS HA 1 9 PHE H 1.800 . 3.000 2.144 2.123 2.156 . 0 0 "[ . 1 . 2]" 1
101 1 8 LYS H 1 8 LYS QB 1.800 . 3.500 2.376 2.210 2.893 . 0 0 "[ . 1 . 2]" 1
102 1 8 LYS H 1 8 LYS QG 1.800 . 5.000 3.411 2.157 4.126 . 0 0 "[ . 1 . 2]" 1
103 1 8 LYS H 1 9 PHE H 1.800 . 5.000 4.377 4.281 4.480 . 0 0 "[ . 1 . 2]" 1
104 1 8 LYS QE 1 8 LYS QG 1.800 . 4.000 2.137 1.952 2.440 . 0 0 "[ . 1 . 2]" 1
105 1 8 LYS QG 1 16 ARG H 1.800 . 6.000 4.412 2.990 5.890 . 0 0 "[ . 1 . 2]" 1
106 1 8 LYS HA 1 16 ARG H 1.800 . 5.000 4.337 4.001 4.755 . 0 0 "[ . 1 . 2]" 1
107 1 8 LYS HA 1 18 ILE H 1.800 . 5.000 3.704 3.293 4.086 . 0 0 "[ . 1 . 2]" 1
108 1 8 LYS H 1 75 SER QB 1.800 . 5.000 3.550 2.638 4.284 . 0 0 "[ . 1 . 2]" 1
109 1 8 LYS H 1 75 SER HA 1.800 . 5.000 4.795 4.439 5.017 0.017 15 0 "[ . 1 . 2]" 1
110 1 8 LYS H 1 76 LEU H 1.800 . 4.000 2.746 2.290 3.209 . 0 0 "[ . 1 . 2]" 1
111 1 8 LYS H 1 77 ARG HA 1.800 . 5.000 4.457 3.448 4.978 . 0 0 "[ . 1 . 2]" 1
112 1 8 LYS HA 1 17 ILE HA 1.800 . 4.000 2.744 2.067 3.286 . 0 0 "[ . 1 . 2]" 1
113 1 8 LYS HA 1 17 ILE QG 1.800 . 5.000 3.697 2.837 4.800 . 0 0 "[ . 1 . 2]" 1
114 1 8 LYS QG 1 17 ILE QG 1.800 . 4.500 2.770 1.928 4.219 . 0 0 "[ . 1 . 2]" 1
115 1 8 LYS HA 1 17 ILE MD 1.800 . 6.000 5.054 2.749 5.864 . 0 0 "[ . 1 . 2]" 1
116 1 8 LYS QE 1 17 ILE MD 1.800 . 5.000 3.423 1.959 4.910 . 0 0 "[ . 1 . 2]" 1
117 1 8 LYS QD 1 17 ILE MD 1.800 . 6.000 4.197 2.158 5.702 . 0 0 "[ . 1 . 2]" 1
118 1 8 LYS QG 1 17 ILE HA 1.800 . 6.000 3.367 2.705 5.089 . 0 0 "[ . 1 . 2]" 1
119 1 8 LYS QE 1 17 ILE QG 1.800 . 6.000 2.863 1.939 4.332 . 0 0 "[ . 1 . 2]" 1
120 1 9 PHE QB 1 10 GLU H 1.800 . 4.500 2.985 2.763 3.214 . 0 0 "[ . 1 . 2]" 1
121 1 9 PHE H 1 10 GLU H 1.800 . 5.000 4.476 4.415 4.530 . 0 0 "[ . 1 . 2]" 1
122 1 9 PHE HA 1 10 GLU H 1.800 . 3.000 2.205 2.156 2.252 . 0 0 "[ . 1 . 2]" 1
123 1 9 PHE H 1 9 PHE QD 1.800 . 4.000 2.901 2.210 3.364 . 0 0 "[ . 1 . 2]" 1
124 1 9 PHE H 1 9 PHE QE 1.800 . 6.000 4.773 3.835 5.321 . 0 0 "[ . 1 . 2]" 1
125 1 9 PHE QD 1 10 GLU H 1.800 . 5.000 3.854 3.119 4.464 . 0 0 "[ . 1 . 2]" 1
126 1 9 PHE H 1 15 ARG HA 1.800 . 6.000 4.830 4.610 5.163 . 0 0 "[ . 1 . 2]" 1
127 1 9 PHE QB 1 16 ARG H 1.800 . 5.000 3.847 3.114 4.834 . 0 0 "[ . 1 . 2]" 1
128 1 9 PHE QD 1 16 ARG H 1.800 . 6.000 5.004 3.849 5.718 . 0 0 "[ . 1 . 2]" 1
129 1 9 PHE H 1 16 ARG H 1.800 . 4.000 3.048 2.806 3.344 . 0 0 "[ . 1 . 2]" 1
130 1 9 PHE H 1 16 ARG HA 1.800 . 5.000 4.892 4.671 4.988 . 0 0 "[ . 1 . 2]" 1
131 1 9 PHE QB 1 16 ARG QB 1.800 . 4.500 3.027 2.165 4.516 0.016 11 0 "[ . 1 . 2]" 1
132 1 9 PHE H 1 17 ILE HA 1.800 . 4.000 3.725 3.221 3.970 . 0 0 "[ . 1 . 2]" 1
133 1 9 PHE H 1 18 ILE H 1.800 . 5.500 4.576 4.068 4.915 . 0 0 "[ . 1 . 2]" 1
134 1 9 PHE QD 1 18 ILE H 1.800 . 4.500 4.090 3.573 4.493 . 0 0 "[ . 1 . 2]" 1
135 1 9 PHE QD 1 18 ILE QG 1.800 . 5.500 3.659 2.386 4.989 . 0 0 "[ . 1 . 2]" 1
136 1 9 PHE QD 1 18 ILE HB 1.800 . 5.500 3.761 2.960 5.080 . 0 0 "[ . 1 . 2]" 1
137 1 9 PHE HA 1 78 ILE H 1.800 . 5.000 3.798 3.038 4.358 . 0 0 "[ . 1 . 2]" 1
138 1 9 PHE QD 1 78 ILE H 1.800 . 6.000 5.192 4.426 6.005 0.005 16 0 "[ . 1 . 2]" 1
139 1 9 PHE HA 1 78 ILE HB 1.800 . 5.000 3.422 2.695 4.027 . 0 0 "[ . 1 . 2]" 1
140 1 9 PHE HA 1 78 ILE MG 1.800 . 6.000 4.367 3.510 5.093 . 0 0 "[ . 1 . 2]" 1
141 1 9 PHE QD 1 78 ILE HB 1.800 . 5.500 3.483 2.335 4.582 . 0 0 "[ . 1 . 2]" 1
142 1 9 PHE QD 1 78 ILE MG 1.800 . 5.000 3.564 2.299 4.995 . 0 0 "[ . 1 . 2]" 1
143 1 9 PHE QD 1 80 LEU HG 1.800 . 4.500 4.092 2.882 4.508 0.008 14 0 "[ . 1 . 2]" 1
144 1 9 PHE QB 1 80 LEU HG 1.800 . 5.500 3.764 2.951 4.410 . 0 0 "[ . 1 . 2]" 1
145 1 9 PHE HA 1 80 LEU HG 1.800 . 5.000 4.954 4.791 5.020 0.020 2 0 "[ . 1 . 2]" 1
146 1 10 GLU H 1 10 GLU QB 1.800 . 3.300 2.480 2.398 2.638 . 0 0 "[ . 1 . 2]" 1
147 1 10 GLU HA 1 11 HIS H 1.800 . 3.000 2.154 2.131 2.215 . 0 0 "[ . 1 . 2]" 1
148 1 10 GLU H 1 11 HIS H 1.800 . 4.500 4.352 4.227 4.448 . 0 0 "[ . 1 . 2]" 1
149 1 10 GLU QG 1 11 HIS H 1.800 . 4.500 3.164 2.382 4.005 . 0 0 "[ . 1 . 2]" 1
150 1 10 GLU QG 1 13 GLY H 1.800 . 5.000 3.847 2.589 5.016 0.016 19 0 "[ . 1 . 2]" 1
151 1 10 GLU QG 1 15 ARG H 1.800 . 6.000 4.339 3.519 5.614 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLU HA 1 14 GLU H 1.800 . 6.000 5.170 4.478 5.526 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLU HA 1 15 ARG HA 1.800 . 4.000 2.468 2.014 3.105 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLU QB 1 15 ARG HA 1.800 . 6.000 4.042 3.300 4.511 . 0 0 "[ . 1 . 2]" 1
155 1 10 GLU QG 1 15 ARG HA 1.800 . 6.000 2.775 2.101 4.448 . 0 0 "[ . 1 . 2]" 1
156 1 10 GLU HA 1 16 ARG H 1.800 . 4.500 3.714 3.497 4.069 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLU H 1 78 ILE MG 1.800 . 6.000 4.867 4.291 5.440 . 0 0 "[ . 1 . 2]" 1
158 1 10 GLU H 1 79 LEU QD 1.800 . 6.000 4.076 2.841 5.491 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLU H 1 79 LEU HA 1.800 . 4.500 2.867 2.371 3.757 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLU QB 1 79 LEU HA 1.800 . 5.000 3.058 2.343 3.888 . 0 0 "[ . 1 . 2]" 1
161 1 10 GLU H 1 80 LEU HG 1.800 . 5.000 3.708 3.305 4.173 . 0 0 "[ . 1 . 2]" 1
162 1 10 GLU QB 1 80 LEU H 1.800 . 6.000 4.041 3.571 4.753 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLU H 1 80 LEU MD1 1.800 . 5.000 4.861 4.570 5.026 0.026 15 0 "[ . 1 . 2]" 1
164 1 11 HIS HA 1 12 ASN H 1.800 . 3.000 2.148 2.142 2.158 . 0 0 "[ . 1 . 2]" 1
165 1 11 HIS HA 1 11 HIS HD2 1.800 . 4.500 2.482 2.115 2.888 . 0 0 "[ . 1 . 2]" 1
166 1 11 HIS QB 1 12 ASN H 1.800 . 4.500 3.847 3.772 3.906 . 0 0 "[ . 1 . 2]" 1
167 1 11 HIS HD2 1 12 ASN H 1.800 . 4.000 3.170 2.302 3.894 . 0 0 "[ . 1 . 2]" 1
168 1 11 HIS HE1 1 12 ASN QD 1.800 . 5.500 4.550 3.393 5.525 0.025 8 0 "[ . 1 . 2]" 1
169 1 11 HIS H 1 12 ASN H 1.800 . 6.000 4.106 4.005 4.199 . 0 0 "[ . 1 . 2]" 1
170 1 11 HIS H 1 13 GLY H 1.800 . 5.000 3.749 3.593 3.936 . 0 0 "[ . 1 . 2]" 1
171 1 11 HIS HA 1 13 GLY H 1.800 . 6.000 3.796 3.648 3.897 . 0 0 "[ . 1 . 2]" 1
172 1 11 HIS H 1 14 GLU QB 1.800 . 5.000 3.435 2.941 4.630 . 0 0 "[ . 1 . 2]" 1
173 1 11 HIS H 1 14 GLU H 1.800 . 4.000 3.614 2.903 4.020 0.020 15 0 "[ . 1 . 2]" 1
174 1 11 HIS H 1 15 ARG HA 1.800 . 4.500 3.714 3.126 4.234 . 0 0 "[ . 1 . 2]" 1
175 1 11 HIS QB 1 14 GLU QB 1.800 . 5.500 3.591 3.121 5.136 . 0 0 "[ . 1 . 2]" 1
176 1 11 HIS HA 1 80 LEU H 1.800 . 4.500 4.272 3.908 4.506 0.006 11 0 "[ . 1 . 2]" 1
177 1 11 HIS QB 1 80 LEU H 1.800 . 5.500 4.553 3.737 5.118 . 0 0 "[ . 1 . 2]" 1
178 1 11 HIS HD2 1 80 LEU H 1.800 . 6.000 4.961 4.238 5.787 . 0 0 "[ . 1 . 2]" 1
179 1 11 HIS H 1 80 LEU HG 1.800 . 6.000 5.028 4.595 5.537 . 0 0 "[ . 1 . 2]" 1
180 1 11 HIS QB 1 80 LEU QB 1.800 . 5.500 4.766 4.463 5.325 . 0 0 "[ . 1 . 2]" 1
181 1 11 HIS QB 1 80 LEU HG 1.800 . 6.000 3.162 2.765 3.732 . 0 0 "[ . 1 . 2]" 1
182 1 12 ASN HA 1 13 GLY H 1.800 . 3.300 2.904 2.847 2.994 . 0 0 "[ . 1 . 2]" 1
183 1 12 ASN QB 1 13 GLY H 1.800 . 5.000 3.834 3.784 3.866 . 0 0 "[ . 1 . 2]" 1
184 1 12 ASN H 1 13 GLY H 1.800 . 4.000 2.739 2.694 2.796 . 0 0 "[ . 1 . 2]" 1
185 1 12 ASN HA 1 12 ASN QD 1.800 . 5.500 3.444 2.237 4.043 . 0 0 "[ . 1 . 2]" 1
186 1 12 ASN QB 1 14 GLU H 1.800 . 4.500 3.398 3.193 3.636 . 0 0 "[ . 1 . 2]" 1
187 1 12 ASN HA 1 13 GLY HA2 1.800 . 5.000 4.705 4.647 4.775 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLY QA 1 14 GLU H 1.800 . 4.000 2.773 2.664 2.952 . 0 0 "[ . 1 . 2]" 1
189 1 13 GLY H 1 14 GLU H 1.800 . 4.000 3.012 2.608 3.287 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLU H 1 14 GLU QB 1.800 . 3.500 2.211 2.052 2.546 . 0 0 "[ . 1 . 2]" 1
191 1 14 GLU HA 1 15 ARG H 1.800 . 3.000 2.229 2.186 2.298 . 0 0 "[ . 1 . 2]" 1
192 1 14 GLU QB 1 15 ARG H 1.800 . 4.000 3.168 2.710 3.653 . 0 0 "[ . 1 . 2]" 1
193 1 14 GLU H 1 15 ARG H 1.800 . 5.000 4.617 4.587 4.642 . 0 0 "[ . 1 . 2]" 1
194 1 14 GLU H 1 14 GLU QG 1.800 . 4.000 3.321 2.266 3.998 . 0 0 "[ . 1 . 2]" 1
195 1 14 GLU QG 1 15 ARG H 1.800 . 5.500 3.251 2.092 4.308 . 0 0 "[ . 1 . 2]" 1
196 1 14 GLU HA 1 14 GLU QG 1.800 . 4.500 2.356 2.024 3.367 . 0 0 "[ . 1 . 2]" 1
197 1 15 ARG H 1 15 ARG QD 1.800 . 5.000 3.896 2.162 4.848 . 0 0 "[ . 1 . 2]" 1
198 1 15 ARG HA 1 16 ARG H 1.800 . 3.000 2.253 2.187 2.347 . 0 0 "[ . 1 . 2]" 1
199 1 15 ARG H 1 16 ARG H 1.800 . 5.000 4.491 4.418 4.558 . 0 0 "[ . 1 . 2]" 1
200 1 15 ARG H 1 15 ARG QB 1.800 . 3.500 2.733 2.277 3.065 . 0 0 "[ . 1 . 2]" 1
201 1 15 ARG H 1 15 ARG QG 1.800 . 4.000 2.639 1.970 3.981 . 0 0 "[ . 1 . 2]" 1
202 1 15 ARG HA 1 15 ARG QG 1.800 . 4.000 2.892 2.020 3.430 . 0 0 "[ . 1 . 2]" 1
203 1 15 ARG HA 1 15 ARG QD 1.800 . 6.000 3.974 3.098 4.436 . 0 0 "[ . 1 . 2]" 1
204 1 15 ARG QD 1 16 ARG H 1.800 . 6.000 4.670 3.299 5.405 . 0 0 "[ . 1 . 2]" 1
205 1 16 ARG HA 1 17 ILE H 1.800 . 3.000 2.206 2.159 2.283 . 0 0 "[ . 1 . 2]" 1
206 1 16 ARG QB 1 17 ILE H 1.800 . 3.500 3.219 2.723 3.462 . 0 0 "[ . 1 . 2]" 1
207 1 16 ARG QD 1 17 ILE H 1.800 . 5.500 4.372 2.941 5.210 . 0 0 "[ . 1 . 2]" 1
208 1 16 ARG H 1 17 ILE H 1.800 . 4.500 4.330 4.196 4.445 . 0 0 "[ . 1 . 2]" 1
209 1 16 ARG H 1 17 ILE QG 1.800 . 6.000 4.290 3.989 4.724 . 0 0 "[ . 1 . 2]" 1
210 1 16 ARG QG 1 17 ILE H 1.800 . 5.000 3.319 2.253 4.437 . 0 0 "[ . 1 . 2]" 1
211 1 16 ARG H 1 16 ARG QG 1.800 . 4.500 3.784 2.814 4.321 . 0 0 "[ . 1 . 2]" 1
212 1 16 ARG HA 1 16 ARG QG 1.800 . 4.500 2.218 2.009 2.590 . 0 0 "[ . 1 . 2]" 1
213 1 16 ARG QD 1 36 VAL MG2 1.800 . 6.000 5.066 3.645 5.947 . 0 0 "[ . 1 . 2]" 1
214 1 16 ARG QD 1 37 PHE HZ 1.800 . 6.000 3.296 1.974 4.510 . 0 0 "[ . 1 . 2]" 1
215 1 17 ILE H 1 17 ILE HB 1.800 . 3.500 2.696 2.632 2.733 . 0 0 "[ . 1 . 2]" 1
216 1 17 ILE H 1 18 ILE H 1.800 . 5.000 4.368 4.290 4.501 . 0 0 "[ . 1 . 2]" 1
217 1 17 ILE HA 1 18 ILE H 1.800 . 3.000 2.163 2.152 2.191 . 0 0 "[ . 1 . 2]" 1
218 1 17 ILE QG 1 18 ILE H 1.800 . 5.000 4.343 4.247 4.833 . 0 0 "[ . 1 . 2]" 1
219 1 17 ILE MG 1 18 ILE H 1.800 . 3.500 2.689 2.366 2.892 . 0 0 "[ . 1 . 2]" 1
220 1 17 ILE MG 1 19 ALA H 1.800 . 5.500 4.439 4.245 4.669 . 0 0 "[ . 1 . 2]" 1
221 1 17 ILE H 1 17 ILE QG 1.800 . 4.000 2.720 2.363 3.094 . 0 0 "[ . 1 . 2]" 1
222 1 17 ILE HA 1 17 ILE QG 1.800 . 4.500 2.523 2.426 3.081 . 0 0 "[ . 1 . 2]" 1
223 1 17 ILE HA 1 17 ILE MG 1.800 . 4.000 2.298 2.199 2.389 . 0 0 "[ . 1 . 2]" 1
224 1 17 ILE HA 1 17 ILE MD 1.800 . 6.000 3.699 2.182 3.940 . 0 0 "[ . 1 . 2]" 1
225 1 18 ILE H 1 18 ILE HB 1.800 . 3.500 2.884 2.730 3.275 . 0 0 "[ . 1 . 2]" 1
226 1 18 ILE H 1 18 ILE QG 1.800 . 4.500 2.985 2.534 4.353 . 0 0 "[ . 1 . 2]" 1
227 1 18 ILE H 1 18 ILE MG 1.800 . 5.000 3.683 2.140 3.966 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE H 1 19 ALA H 1.800 . 5.000 4.338 4.226 4.428 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE HA 1 19 ALA H 1.800 . 3.000 2.176 2.148 2.203 . 0 0 "[ . 1 . 2]" 1
230 1 18 ILE HB 1 19 ALA H 1.800 . 5.000 4.050 3.957 4.298 . 0 0 "[ . 1 . 2]" 1
231 1 18 ILE QG 1 19 ALA H 1.800 . 5.500 4.113 2.573 4.698 . 0 0 "[ . 1 . 2]" 1
232 1 18 ILE MG 1 19 ALA H 1.800 . 4.000 2.622 2.273 3.914 . 0 0 "[ . 1 . 2]" 1
233 1 18 ILE HA 1 18 ILE QG 1.800 . 4.500 2.669 2.283 3.060 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE HA 1 18 ILE MG 1.800 . 4.000 2.440 2.203 3.212 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE HA 1 18 ILE MD 1.800 . 6.000 3.229 2.010 3.939 . 0 0 "[ . 1 . 2]" 1
236 1 18 ILE HB 1 18 ILE MD 1.800 . 4.000 2.560 2.048 3.238 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE HB 1 19 ALA HA 1.800 . 6.000 5.017 4.724 5.953 . 0 0 "[ . 1 . 2]" 1
238 1 18 ILE HB 1 20 PHE QE 1.800 . 6.000 3.077 2.031 4.664 . 0 0 "[ . 1 . 2]" 1
239 1 18 ILE MG 1 20 PHE QE 1.800 . 4.000 2.444 1.994 3.547 . 0 0 "[ . 1 . 2]" 1
240 1 18 ILE MG 1 32 LYS QE 1.800 . 5.000 3.521 2.100 4.843 . 0 0 "[ . 1 . 2]" 1
241 1 18 ILE QG 1 32 LYS QE 1.800 . 6.000 4.592 2.354 5.976 . 0 0 "[ . 1 . 2]" 1
242 1 18 ILE MD 1 32 LYS QE 1.800 . 5.500 4.017 1.969 5.239 . 0 0 "[ . 1 . 2]" 1
243 1 19 ALA H 1 19 ALA MB 1.800 . 3.000 2.274 2.158 2.412 . 0 0 "[ . 1 . 2]" 1
244 1 19 ALA HA 1 20 PHE H 1.800 . 3.000 2.203 2.159 2.262 . 0 0 "[ . 1 . 2]" 1
245 1 19 ALA MB 1 20 PHE H 1.800 . 3.500 2.952 2.748 3.121 . 0 0 "[ . 1 . 2]" 1
246 1 19 ALA MB 1 21 SER H 1.800 . 6.000 4.877 4.587 5.434 . 0 0 "[ . 1 . 2]" 1
247 1 19 ALA HA 1 20 PHE QD 1.800 . 5.000 3.894 3.119 4.603 . 0 0 "[ . 1 . 2]" 1
248 1 20 PHE H 1 20 PHE QB 1.800 . 3.500 2.497 2.329 2.623 . 0 0 "[ . 1 . 2]" 1
249 1 20 PHE HA 1 21 SER H 1.800 . 3.000 2.168 2.140 2.307 . 0 0 "[ . 1 . 2]" 1
250 1 20 PHE QB 1 21 SER H 1.800 . 4.000 3.276 2.738 3.471 . 0 0 "[ . 1 . 2]" 1
251 1 20 PHE H 1 20 PHE QD 1.800 . 4.000 3.388 2.793 3.717 . 0 0 "[ . 1 . 2]" 1
252 1 20 PHE H 1 20 PHE QE 1.800 . 6.000 5.463 5.035 5.698 . 0 0 "[ . 1 . 2]" 1
253 1 20 PHE QD 1 21 SER H 1.800 . 4.500 3.774 3.104 4.364 . 0 0 "[ . 1 . 2]" 1
254 1 20 PHE H 1 21 SER H 1.800 . 5.000 4.288 4.118 4.471 . 0 0 "[ . 1 . 2]" 1
255 1 20 PHE QB 1 24 VAL QG 1.800 . 4.500 2.326 1.898 2.889 . 0 0 "[ . 1 . 2]" 1
256 1 20 PHE QD 1 24 VAL QG 1.800 . 5.000 2.539 1.938 3.185 . 0 0 "[ . 1 . 2]" 1
257 1 20 PHE QD 1 25 LYS H 1.800 . 7.000 5.298 4.011 6.303 . 0 0 "[ . 1 . 2]" 1
258 1 20 PHE QB 1 25 LYS H 1.800 . 7.000 5.635 4.202 6.755 . 0 0 "[ . 1 . 2]" 1
259 1 20 PHE QD 1 29 VAL HA 1.800 . 6.000 4.305 3.927 4.819 . 0 0 "[ . 1 . 2]" 1
260 1 20 PHE QE 1 29 VAL HA 1.800 . 5.000 2.759 2.193 3.516 . 0 0 "[ . 1 . 2]" 1
261 1 20 PHE QD 1 29 VAL MG1 1.800 . 4.000 3.555 2.951 3.988 . 0 0 "[ . 1 . 2]" 1
262 1 20 PHE QE 1 29 VAL MG2 1.800 . 4.000 3.089 2.354 3.669 . 0 0 "[ . 1 . 2]" 1
263 1 20 PHE QE 1 32 LYS QB 1.800 . 6.000 3.380 2.834 3.723 . 0 0 "[ . 1 . 2]" 1
264 1 20 PHE QE 1 32 LYS QD 1.800 . 4.000 3.094 2.440 3.994 . 0 0 "[ . 1 . 2]" 1
265 1 20 PHE QE 1 32 LYS H 1.800 . 5.500 5.034 4.346 5.475 . 0 0 "[ . 1 . 2]" 1
266 1 21 SER HA 1 22 ARG H 1.800 . 3.000 2.217 2.146 2.351 . 0 0 "[ . 1 . 2]" 1
267 1 21 SER QB 1 22 ARG H 1.800 . 4.000 3.186 2.616 3.761 . 0 0 "[ . 1 . 2]" 1
268 1 21 SER H 1 24 VAL QG 1.800 . 6.000 4.554 3.767 5.186 . 0 0 "[ . 1 . 2]" 1
269 1 22 ARG H 1 22 ARG QB 1.800 . 3.500 2.271 2.081 2.533 . 0 0 "[ . 1 . 2]" 1
270 1 22 ARG H 1 22 ARG QG 1.800 . 4.000 3.062 2.197 3.992 . 0 0 "[ . 1 . 2]" 1
271 1 22 ARG H 1 22 ARG QD 1.800 . 5.500 3.912 2.348 4.703 . 0 0 "[ . 1 . 2]" 1
272 1 22 ARG QB 1 22 ARG HE 1.800 . 4.500 3.442 2.425 4.185 . 0 0 "[ . 1 . 2]" 1
273 1 22 ARG H 1 22 ARG HE 1.800 . 6.000 4.723 3.589 5.685 . 0 0 "[ . 1 . 2]" 1
274 1 22 ARG QB 1 23 PRO HA 1.800 . 4.000 2.316 1.947 3.268 . 0 0 "[ . 1 . 2]" 1
275 1 22 ARG QG 1 23 PRO HA 1.800 . 4.500 2.698 1.913 3.597 . 0 0 "[ . 1 . 2]" 1
276 1 22 ARG HA 1 23 PRO HA 1.800 . 4.000 2.330 2.160 2.441 . 0 0 "[ . 1 . 2]" 1
277 1 22 ARG H 1 24 VAL MG1 1.800 . 6.000 5.222 4.663 5.921 . 0 0 "[ . 1 . 2]" 1
278 1 22 ARG HA 1 24 VAL H 1.800 . 4.000 2.600 2.163 3.438 . 0 0 "[ . 1 . 2]" 1
279 1 22 ARG HA 1 24 VAL MG1 1.800 . 6.000 3.440 3.046 3.884 . 0 0 "[ . 1 . 2]" 1
280 1 22 ARG QG 1 24 VAL H 1.800 . 4.000 2.686 2.028 3.809 . 0 0 "[ . 1 . 2]" 1
281 1 23 PRO HA 1 24 VAL H 1.800 . 3.000 2.200 2.148 2.387 . 0 0 "[ . 1 . 2]" 1
282 1 23 PRO QB 1 24 VAL H 1.800 . 4.000 3.193 2.575 3.454 . 0 0 "[ . 1 . 2]" 1
283 1 23 PRO QB 1 25 LYS QD 1.800 . 5.500 4.015 2.922 5.448 . 0 0 "[ . 1 . 2]" 1
284 1 24 VAL QG 1 25 LYS HA 1.800 . 6.000 3.555 3.289 3.801 . 0 0 "[ . 1 . 2]" 1
285 1 24 VAL H 1 24 VAL HB 1.800 . 3.500 2.923 2.599 3.370 . 0 0 "[ . 1 . 2]" 1
286 1 24 VAL H 1 24 VAL MG1 1.800 . 4.000 2.101 1.969 2.504 . 0 0 "[ . 1 . 2]" 1
287 1 24 VAL H 1 24 VAL MG2 1.800 . 5.500 3.861 3.780 3.997 . 0 0 "[ . 1 . 2]" 1
288 1 24 VAL HA 1 25 LYS H 1.800 . 3.000 2.202 2.133 2.320 . 0 0 "[ . 1 . 2]" 1
289 1 24 VAL MG1 1 25 LYS H 1.800 . 5.500 3.870 3.635 4.116 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL MG2 1 25 LYS H 1.800 . 5.000 2.408 2.075 2.959 . 0 0 "[ . 1 . 2]" 1
291 1 24 VAL H 1 25 LYS H 1.800 . 5.000 4.456 4.305 4.634 . 0 0 "[ . 1 . 2]" 1
292 1 24 VAL HB 1 25 LYS H 1.800 . 5.500 4.145 3.942 4.353 . 0 0 "[ . 1 . 2]" 1
293 1 24 VAL HA 1 24 VAL QG 1.800 . 4.000 2.268 2.177 2.341 . 0 0 "[ . 1 . 2]" 1
294 1 24 VAL MG2 1 29 VAL HA 1.800 . 5.000 4.171 3.727 4.759 . 0 0 "[ . 1 . 2]" 1
295 1 24 VAL MG2 1 29 VAL MG2 1.800 . 4.000 1.862 1.796 2.018 0.004 15 0 "[ . 1 . 2]" 1
296 1 24 VAL MG2 1 29 VAL H 1.800 . 5.500 3.643 3.171 4.261 . 0 0 "[ . 1 . 2]" 1
297 1 24 VAL MG1 1 64 ILE MD 1.800 . 6.000 3.747 2.134 5.568 . 0 0 "[ . 1 . 2]" 1
298 1 25 LYS H 1 25 LYS QG 1.800 . 4.000 3.269 2.159 4.022 0.022 1 0 "[ . 1 . 2]" 1
299 1 25 LYS HA 1 26 TYR H 1.800 . 3.000 2.233 2.150 2.415 . 0 0 "[ . 1 . 2]" 1
300 1 25 LYS QB 1 26 TYR H 1.800 . 4.500 2.989 2.386 3.439 . 0 0 "[ . 1 . 2]" 1
301 1 25 LYS QE 1 26 TYR H 1.800 . 6.000 5.032 3.498 5.857 . 0 0 "[ . 1 . 2]" 1
302 1 25 LYS HA 1 28 ASP H 1.800 . 6.000 4.591 4.404 4.789 . 0 0 "[ . 1 . 2]" 1
303 1 25 LYS H 1 28 ASP QB 1.800 . 5.000 2.915 2.094 3.313 . 0 0 "[ . 1 . 2]" 1
304 1 25 LYS H 1 29 VAL QG 1.800 . 6.000 3.508 3.010 4.174 . 0 0 "[ . 1 . 2]" 1
305 1 25 LYS HA 1 27 GLU H 1.800 . 5.000 4.169 3.915 4.510 . 0 0 "[ . 1 . 2]" 1
306 1 25 LYS QG 1 27 GLU H 1.800 . 5.500 4.177 3.227 5.054 . 0 0 "[ . 1 . 2]" 1
307 1 25 LYS QG 1 28 ASP H 1.800 . 5.500 4.111 1.968 4.934 . 0 0 "[ . 1 . 2]" 1
308 1 25 LYS H 1 27 GLU H 1.800 . 6.000 5.425 5.070 5.699 . 0 0 "[ . 1 . 2]" 1
309 1 25 LYS H 1 28 ASP H 1.800 . 5.500 4.177 3.608 4.476 . 0 0 "[ . 1 . 2]" 1
310 1 25 LYS H 1 26 TYR H 1.800 . 5.500 4.509 4.373 4.612 . 0 0 "[ . 1 . 2]" 1
311 1 25 LYS H 1 25 LYS QB 1.800 . 3.300 2.420 2.180 3.159 . 0 0 "[ . 1 . 2]" 1
312 1 25 LYS QG 1 26 TYR H 1.800 . 6.000 3.738 3.075 4.691 . 0 0 "[ . 1 . 2]" 1
313 1 25 LYS H 1 25 LYS QD 1.800 . 4.000 3.304 2.116 4.008 0.008 9 0 "[ . 1 . 2]" 1
314 1 25 LYS QD 1 26 TYR H 1.800 . 6.000 4.544 3.264 5.297 . 0 0 "[ . 1 . 2]" 1
315 1 25 LYS QB 1 28 ASP H 1.800 . 4.000 2.534 2.155 3.488 . 0 0 "[ . 1 . 2]" 1
316 1 25 LYS HA 1 25 LYS QG 1.800 . 4.000 2.548 2.099 3.443 . 0 0 "[ . 1 . 2]" 1
317 1 25 LYS HA 1 25 LYS QD 1.800 . 4.000 2.979 1.948 4.008 0.008 16 0 "[ . 1 . 2]" 1
318 1 25 LYS QE 1 25 LYS QG 1.800 . 4.000 2.127 1.951 2.347 . 0 0 "[ . 1 . 2]" 1
319 1 25 LYS QB 1 25 LYS QE 1.800 . 4.000 3.220 2.012 3.714 . 0 0 "[ . 1 . 2]" 1
320 1 25 LYS QE 1 57 GLN QG 1.800 . 6.000 5.291 4.009 6.002 0.002 20 0 "[ . 1 . 2]" 1
321 1 25 LYS QB 1 28 ASP QB 1.800 . 4.500 2.603 1.910 3.918 . 0 0 "[ . 1 . 2]" 1
322 1 25 LYS HA 1 57 GLN HE22 1.800 . 4.000 2.849 2.060 4.009 0.009 14 0 "[ . 1 . 2]" 1
323 1 25 LYS HA 1 57 GLN HE21 1.800 . 4.500 3.630 2.083 4.456 . 0 0 "[ . 1 . 2]" 1
324 1 26 TYR H 1 26 TYR QB 1.800 . 3.500 2.255 2.225 2.289 . 0 0 "[ . 1 . 2]" 1
325 1 26 TYR HA 1 27 GLU H 1.800 . 4.500 3.545 3.527 3.573 . 0 0 "[ . 1 . 2]" 1
326 1 26 TYR QB 1 27 GLU H 1.800 . 4.000 2.594 2.356 2.717 . 0 0 "[ . 1 . 2]" 1
327 1 26 TYR HA 1 28 ASP H 1.800 . 5.000 4.444 4.255 4.550 . 0 0 "[ . 1 . 2]" 1
328 1 26 TYR HA 1 29 VAL H 1.800 . 4.000 3.521 3.398 3.602 . 0 0 "[ . 1 . 2]" 1
329 1 26 TYR HA 1 30 GLU H 1.800 . 5.000 3.800 3.507 4.186 . 0 0 "[ . 1 . 2]" 1
330 1 26 TYR H 1 26 TYR QD 1.800 . 5.000 4.198 4.158 4.223 . 0 0 "[ . 1 . 2]" 1
331 1 26 TYR H 1 28 ASP H 1.800 . 5.500 4.316 4.063 4.428 . 0 0 "[ . 1 . 2]" 1
332 1 26 TYR QD 1 27 GLU H 1.800 . 4.000 3.662 2.881 4.004 0.004 5 0 "[ . 1 . 2]" 1
333 1 26 TYR QD 1 30 GLU H 1.800 . 6.000 4.430 3.761 4.738 . 0 0 "[ . 1 . 2]" 1
334 1 26 TYR H 1 27 GLU H 1.800 . 3.500 2.766 2.655 2.899 . 0 0 "[ . 1 . 2]" 1
335 1 26 TYR H 1 57 GLN HA 1.800 . 5.000 4.503 3.490 4.873 . 0 0 "[ . 1 . 2]" 1
336 1 26 TYR QD 1 57 GLN H 1.800 . 5.500 4.694 3.428 5.146 . 0 0 "[ . 1 . 2]" 1
337 1 26 TYR QD 1 56 ASN H 1.800 . 6.000 5.360 4.311 6.019 0.019 10 0 "[ . 1 . 2]" 1
338 1 26 TYR QE 1 56 ASN H 1.800 . 6.000 4.875 3.180 5.572 . 0 0 "[ . 1 . 2]" 1
339 1 26 TYR QE 1 54 LEU H 1.800 . 6.000 5.337 4.737 5.660 . 0 0 "[ . 1 . 2]" 1
340 1 26 TYR H 1 60 LEU QD 1.800 . 6.000 3.559 2.440 4.549 . 0 0 "[ . 1 . 2]" 1
341 1 26 TYR H 1 57 GLN HB3 1.800 . 6.000 5.532 5.020 5.997 . 0 0 "[ . 1 . 2]" 1
342 1 26 TYR QD 1 27 GLU HA 1.800 . 5.000 3.504 2.681 4.305 . 0 0 "[ . 1 . 2]" 1
343 1 26 TYR QE 1 27 GLU HA 1.800 . 6.000 4.871 4.058 5.252 . 0 0 "[ . 1 . 2]" 1
344 1 26 TYR QD 1 56 ASN HA 1.800 . 5.500 4.251 2.720 5.218 . 0 0 "[ . 1 . 2]" 1
345 1 26 TYR QE 1 56 ASN HA 1.800 . 5.500 4.557 3.173 5.503 0.003 11 0 "[ . 1 . 2]" 1
346 1 26 TYR QD 1 57 GLN HA 1.800 . 5.500 3.813 2.695 4.490 . 0 0 "[ . 1 . 2]" 1
347 1 26 TYR QE 1 57 GLN HA 1.800 . 6.000 5.368 4.652 6.031 0.031 3 0 "[ . 1 . 2]" 1
348 1 26 TYR HA 1 29 VAL HB 1.800 . 4.000 2.943 2.638 3.214 . 0 0 "[ . 1 . 2]" 1
349 1 26 TYR HA 1 29 VAL MG2 1.800 . 4.500 2.882 2.415 3.170 . 0 0 "[ . 1 . 2]" 1
350 1 26 TYR QB 1 57 GLN HA 1.800 . 5.500 2.790 2.507 3.239 . 0 0 "[ . 1 . 2]" 1
351 1 26 TYR QD 1 27 GLU QG 1.800 . 6.000 4.034 2.895 4.821 . 0 0 "[ . 1 . 2]" 1
352 1 26 TYR QE 1 27 GLU QG 1.800 . 6.000 5.360 4.761 5.958 . 0 0 "[ . 1 . 2]" 1
353 1 26 TYR HA 1 26 TYR QD 1.800 . 5.000 2.757 2.206 3.152 . 0 0 "[ . 1 . 2]" 1
354 1 26 TYR HA 1 26 TYR QE 1.800 . 5.500 4.616 4.449 4.813 . 0 0 "[ . 1 . 2]" 1
355 1 26 TYR QE 1 30 GLU QB 1.800 . 5.500 3.382 2.559 4.057 . 0 0 "[ . 1 . 2]" 1
356 1 26 TYR QD 1 30 GLU QB 1.800 . 5.500 3.526 2.384 4.267 . 0 0 "[ . 1 . 2]" 1
357 1 26 TYR QE 1 30 GLU QG 1.800 . 6.000 3.455 2.226 4.813 . 0 0 "[ . 1 . 2]" 1
358 1 26 TYR QE 1 54 LEU QB 1.800 . 5.000 2.793 1.832 3.827 . 0 0 "[ . 1 . 2]" 1
359 1 26 TYR QB 1 57 GLN QB 1.800 . 6.000 3.427 2.905 4.355 . 0 0 "[ . 1 . 2]" 1
360 1 26 TYR QD 1 60 LEU QB 1.800 . 5.000 2.949 1.994 4.781 . 0 0 "[ . 1 . 2]" 1
361 1 26 TYR QB 1 60 LEU QD 1.800 . 5.000 2.557 1.922 3.679 . 0 0 "[ . 1 . 2]" 1
362 1 26 TYR QD 1 60 LEU QD 1.800 . 5.500 2.139 1.918 2.888 . 0 0 "[ . 1 . 2]" 1
363 1 26 TYR QE 1 55 LYS HA 1.800 . 5.000 4.073 3.413 4.997 . 0 0 "[ . 1 . 2]" 1
364 1 26 TYR H 1 57 GLN HE22 1.800 . 4.500 3.198 2.164 4.252 . 0 0 "[ . 1 . 2]" 1
365 1 26 TYR H 1 57 GLN HE21 1.800 . 5.500 3.401 2.313 4.516 . 0 0 "[ . 1 . 2]" 1
366 1 26 TYR QE 1 43 LEU QD 1.800 . 5.000 2.669 2.066 4.424 . 0 0 "[ . 1 . 2]" 1
367 1 26 TYR QD 1 43 LEU QD 1.800 . 5.500 4.066 3.360 5.307 . 0 0 "[ . 1 . 2]" 1
368 1 27 GLU H 1 27 GLU QB 1.800 . 3.500 2.202 2.064 2.578 . 0 0 "[ . 1 . 2]" 1
369 1 27 GLU H 1 27 GLU QG 1.800 . 4.000 3.273 2.172 3.825 . 0 0 "[ . 1 . 2]" 1
370 1 27 GLU QB 1 28 ASP H 1.800 . 4.000 2.595 2.481 2.741 . 0 0 "[ . 1 . 2]" 1
371 1 27 GLU H 1 28 ASP H 1.800 . 3.500 2.734 2.673 2.794 . 0 0 "[ . 1 . 2]" 1
372 1 27 GLU H 1 29 VAL H 1.800 . 5.000 4.253 4.180 4.338 . 0 0 "[ . 1 . 2]" 1
373 1 27 GLU HA 1 28 ASP H 1.800 . 4.000 3.550 3.523 3.562 . 0 0 "[ . 1 . 2]" 1
374 1 27 GLU HA 1 30 GLU H 1.800 . 4.000 3.725 3.534 3.844 . 0 0 "[ . 1 . 2]" 1
375 1 27 GLU HA 1 31 HIS H 1.800 . 4.500 3.869 3.557 4.135 . 0 0 "[ . 1 . 2]" 1
376 1 27 GLU QG 1 28 ASP H 1.800 . 5.000 4.315 4.008 4.478 . 0 0 "[ . 1 . 2]" 1
377 1 27 GLU QB 1 31 HIS H 1.800 . 6.000 4.852 4.520 5.298 . 0 0 "[ . 1 . 2]" 1
378 1 27 GLU H 1 30 GLU H 1.800 . 6.000 4.747 4.651 4.977 . 0 0 "[ . 1 . 2]" 1
379 1 27 GLU H 1 28 ASP QB 1.800 . 5.500 4.518 4.393 4.771 . 0 0 "[ . 1 . 2]" 1
380 1 27 GLU HA 1 27 GLU QG 1.800 . 4.000 2.230 2.020 2.794 . 0 0 "[ . 1 . 2]" 1
381 1 27 GLU HA 1 30 GLU QB 1.800 . 4.000 3.045 2.679 3.870 . 0 0 "[ . 1 . 2]" 1
382 1 28 ASP H 1 28 ASP QB 1.800 . 3.500 2.192 2.067 2.412 . 0 0 "[ . 1 . 2]" 1
383 1 28 ASP HA 1 29 VAL H 1.800 . 4.000 3.555 3.544 3.562 . 0 0 "[ . 1 . 2]" 1
384 1 28 ASP QB 1 29 VAL H 1.800 . 3.500 2.577 2.498 2.676 . 0 0 "[ . 1 . 2]" 1
385 1 28 ASP H 1 29 VAL H 1.800 . 3.300 2.680 2.622 2.718 . 0 0 "[ . 1 . 2]" 1
386 1 28 ASP H 1 30 GLU H 1.800 . 4.500 4.223 4.139 4.262 . 0 0 "[ . 1 . 2]" 1
387 1 28 ASP HA 1 31 HIS H 1.800 . 4.000 3.677 3.533 3.812 . 0 0 "[ . 1 . 2]" 1
388 1 28 ASP H 1 29 VAL MG2 1.800 . 5.500 4.072 3.957 4.148 . 0 0 "[ . 1 . 2]" 1
389 1 28 ASP HA 1 31 HIS QB 1.800 . 5.000 2.767 2.446 2.989 . 0 0 "[ . 1 . 2]" 1
390 1 28 ASP H 1 29 VAL MG1 1.800 . 7.000 5.961 5.909 5.997 . 0 0 "[ . 1 . 2]" 1
391 1 29 VAL H 1 29 VAL MG2 1.800 . 3.500 2.095 2.018 2.204 . 0 0 "[ . 1 . 2]" 1
392 1 29 VAL H 1 29 VAL MG1 1.800 . 4.000 3.784 3.773 3.792 . 0 0 "[ . 1 . 2]" 1
393 1 29 VAL HB 1 30 GLU H 1.800 . 3.000 2.480 2.448 2.568 . 0 0 "[ . 1 . 2]" 1
394 1 29 VAL QG 1 30 GLU H 1.800 . 4.000 3.209 3.171 3.272 . 0 0 "[ . 1 . 2]" 1
395 1 29 VAL H 1 30 GLU H 1.800 . 3.300 2.690 2.627 2.750 . 0 0 "[ . 1 . 2]" 1
396 1 29 VAL HA 1 30 GLU H 1.800 . 4.000 3.559 3.548 3.569 . 0 0 "[ . 1 . 2]" 1
397 1 29 VAL H 1 31 HIS H 1.800 . 5.000 4.139 3.993 4.252 . 0 0 "[ . 1 . 2]" 1
398 1 29 VAL HA 1 32 LYS H 1.800 . 4.000 3.673 3.509 3.791 . 0 0 "[ . 1 . 2]" 1
399 1 29 VAL H 1 29 VAL HB 1.800 . 3.300 2.644 2.615 2.689 . 0 0 "[ . 1 . 2]" 1
400 1 29 VAL HA 1 33 VAL H 1.800 . 5.000 4.125 3.773 4.585 . 0 0 "[ . 1 . 2]" 1
401 1 29 VAL HA 1 31 HIS H 1.800 . 5.000 4.526 4.376 4.681 . 0 0 "[ . 1 . 2]" 1
402 1 29 VAL HA 1 29 VAL QG 1.800 . 4.000 2.122 2.040 2.169 . 0 0 "[ . 1 . 2]" 1
403 1 29 VAL HA 1 32 LYS QB 1.800 . 5.000 3.144 2.913 3.602 . 0 0 "[ . 1 . 2]" 1
404 1 30 GLU HA 1 31 HIS H 1.800 . 4.000 3.552 3.525 3.573 . 0 0 "[ . 1 . 2]" 1
405 1 30 GLU QB 1 31 HIS H 1.800 . 3.500 2.721 2.471 3.512 0.012 14 0 "[ . 1 . 2]" 1
406 1 30 GLU H 1 31 HIS H 1.800 . 3.300 2.726 2.615 2.803 . 0 0 "[ . 1 . 2]" 1
407 1 30 GLU HA 1 32 LYS H 1.800 . 5.000 4.423 4.301 4.580 . 0 0 "[ . 1 . 2]" 1
408 1 30 GLU HA 1 34 THR H 1.800 . 5.500 3.652 3.448 4.117 . 0 0 "[ . 1 . 2]" 1
409 1 30 GLU H 1 30 GLU QB 1.800 . 3.500 2.241 2.069 2.529 . 0 0 "[ . 1 . 2]" 1
410 1 30 GLU H 1 30 GLU QG 1.800 . 4.000 3.508 2.156 3.978 . 0 0 "[ . 1 . 2]" 1
411 1 30 GLU QG 1 31 HIS H 1.800 . 5.000 3.690 2.017 4.418 . 0 0 "[ . 1 . 2]" 1
412 1 30 GLU H 1 32 LYS H 1.800 . 4.500 4.297 4.195 4.451 . 0 0 "[ . 1 . 2]" 1
413 1 30 GLU HA 1 33 VAL H 1.800 . 4.000 3.536 3.389 3.689 . 0 0 "[ . 1 . 2]" 1
414 1 30 GLU HA 1 30 GLU QG 1.800 . 4.000 2.508 2.017 3.350 . 0 0 "[ . 1 . 2]" 1
415 1 30 GLU HA 1 33 VAL HB 1.800 . 4.000 2.826 2.614 3.102 . 0 0 "[ . 1 . 2]" 1
416 1 30 GLU HA 1 33 VAL QG 1.800 . 5.000 3.016 2.674 3.258 . 0 0 "[ . 1 . 2]" 1
417 1 30 GLU QG 1 34 THR HB 1.800 . 6.000 4.419 2.835 5.465 . 0 0 "[ . 1 . 2]" 1
418 1 31 HIS H 1 31 HIS QB 1.800 . 3.300 2.146 2.048 2.249 . 0 0 "[ . 1 . 2]" 1
419 1 31 HIS QB 1 32 LYS H 1.800 . 3.500 2.593 2.436 2.728 . 0 0 "[ . 1 . 2]" 1
420 1 31 HIS HA 1 34 THR H 1.800 . 4.000 3.811 3.521 3.932 . 0 0 "[ . 1 . 2]" 1
421 1 31 HIS H 1 32 LYS H 1.800 . 3.500 2.787 2.714 2.833 . 0 0 "[ . 1 . 2]" 1
422 1 31 HIS HA 1 32 LYS H 1.800 . 4.000 3.553 3.542 3.568 . 0 0 "[ . 1 . 2]" 1
423 1 31 HIS H 1 31 HIS HD2 1.800 . 6.000 4.893 3.779 5.482 . 0 0 "[ . 1 . 2]" 1
424 1 31 HIS HA 1 34 THR HB 1.800 . 4.000 2.996 2.737 3.928 . 0 0 "[ . 1 . 2]" 1
425 1 32 LYS H 1 32 LYS QB 1.800 . 3.300 2.203 2.085 2.563 . 0 0 "[ . 1 . 2]" 1
426 1 32 LYS HA 1 33 VAL H 1.800 . 4.000 3.572 3.557 3.576 . 0 0 "[ . 1 . 2]" 1
427 1 32 LYS QB 1 33 VAL H 1.800 . 5.000 2.437 2.388 2.521 . 0 0 "[ . 1 . 2]" 1
428 1 32 LYS HA 1 35 THR H 1.800 . 4.000 3.656 3.504 3.835 . 0 0 "[ . 1 . 2]" 1
429 1 32 LYS H 1 32 LYS QG 1.800 . 5.500 3.675 2.043 4.031 . 0 0 "[ . 1 . 2]" 1
430 1 32 LYS H 1 32 LYS QD 1.800 . 4.500 4.277 3.069 4.520 0.020 13 0 "[ . 1 . 2]" 1
431 1 32 LYS H 1 34 THR H 1.800 . 5.500 4.105 4.046 4.195 . 0 0 "[ . 1 . 2]" 1
432 1 32 LYS HA 1 36 VAL H 1.800 . 5.000 4.170 3.751 4.550 . 0 0 "[ . 1 . 2]" 1
433 1 32 LYS HA 1 32 LYS QD 1.800 . 4.000 3.681 2.396 4.020 0.020 3 0 "[ . 1 . 2]" 1
434 1 32 LYS HA 1 32 LYS QG 1.800 . 4.500 2.279 2.144 2.839 . 0 0 "[ . 1 . 2]" 1
435 1 32 LYS QB 1 32 LYS QD 1.800 . 4.000 2.091 1.933 2.470 . 0 0 "[ . 1 . 2]" 1
436 1 32 LYS QB 1 32 LYS QE 1.800 . 4.500 3.321 2.258 3.627 . 0 0 "[ . 1 . 2]" 1
437 1 32 LYS QE 1 32 LYS QG 1.800 . 3.500 2.119 1.974 2.323 . 0 0 "[ . 1 . 2]" 1
438 1 32 LYS HA 1 35 THR HB 1.800 . 4.000 3.224 2.786 3.427 . 0 0 "[ . 1 . 2]" 1
439 1 33 VAL H 1 33 VAL MG2 1.800 . 4.000 2.075 1.986 2.201 . 0 0 "[ . 1 . 2]" 1
440 1 33 VAL H 1 33 VAL MG1 1.800 . 5.000 3.784 3.779 3.789 . 0 0 "[ . 1 . 2]" 1
441 1 33 VAL HA 1 34 THR H 1.800 . 4.000 3.552 3.544 3.560 . 0 0 "[ . 1 . 2]" 1
442 1 33 VAL HB 1 34 THR H 1.800 . 3.300 2.624 2.544 2.689 . 0 0 "[ . 1 . 2]" 1
443 1 33 VAL QG 1 34 THR H 1.800 . 5.000 3.266 3.208 3.316 . 0 0 "[ . 1 . 2]" 1
444 1 33 VAL H 1 34 THR H 1.800 . 3.300 2.727 2.673 2.796 . 0 0 "[ . 1 . 2]" 1
445 1 33 VAL HA 1 36 VAL H 1.800 . 4.000 3.458 3.277 3.688 . 0 0 "[ . 1 . 2]" 1
446 1 33 VAL HA 1 37 PHE H 1.800 . 4.500 3.844 3.298 4.144 . 0 0 "[ . 1 . 2]" 1
447 1 33 VAL QG 1 37 PHE H 1.800 . 6.000 3.669 3.373 3.885 . 0 0 "[ . 1 . 2]" 1
448 1 33 VAL H 1 33 VAL HB 1.800 . 3.300 2.642 2.609 2.683 . 0 0 "[ . 1 . 2]" 1
449 1 33 VAL HA 1 33 VAL MG1 1.800 . 4.000 2.338 2.255 2.407 . 0 0 "[ . 1 . 2]" 1
450 1 33 VAL HA 1 33 VAL MG2 1.800 . 4.000 2.437 2.380 2.471 . 0 0 "[ . 1 . 2]" 1
451 1 33 VAL HA 1 36 VAL HB 1.800 . 4.000 2.811 2.635 3.035 . 0 0 "[ . 1 . 2]" 1
452 1 33 VAL HA 1 36 VAL MG2 1.800 . 5.500 2.699 2.090 3.515 . 0 0 "[ . 1 . 2]" 1
453 1 33 VAL MG1 1 37 PHE QB 1.800 . 5.000 3.314 2.533 3.740 . 0 0 "[ . 1 . 2]" 1
454 1 33 VAL MG2 1 37 PHE QB 1.800 . 6.000 5.628 4.749 5.987 . 0 0 "[ . 1 . 2]" 1
455 1 33 VAL HA 1 37 PHE QD 1.800 . 5.000 3.405 2.041 4.408 . 0 0 "[ . 1 . 2]" 1
456 1 33 VAL MG1 1 37 PHE QD 1.800 . 5.000 2.083 1.875 2.502 . 0 0 "[ . 1 . 2]" 1
457 1 33 VAL MG2 1 37 PHE QD 1.800 . 6.000 4.278 3.693 4.711 . 0 0 "[ . 1 . 2]" 1
458 1 33 VAL HA 1 38 GLY H 1.800 . 6.000 5.859 5.625 6.027 0.027 18 0 "[ . 1 . 2]" 1
459 1 33 VAL QG 1 38 GLY H 1.800 . 6.000 5.136 4.927 5.402 . 0 0 "[ . 1 . 2]" 1
460 1 34 THR H 1 34 THR MG 1.800 . 4.500 3.651 2.401 3.760 . 0 0 "[ . 1 . 2]" 1
461 1 34 THR HA 1 37 PHE H 1.800 . 4.000 3.954 3.842 4.022 0.022 7 0 "[ . 1 . 2]" 1
462 1 34 THR MG 1 38 GLY H 1.800 . 6.000 4.271 3.949 5.265 . 0 0 "[ . 1 . 2]" 1
463 1 34 THR MG 1 39 GLN H 1.800 . 6.000 4.279 3.646 5.848 . 0 0 "[ . 1 . 2]" 1
464 1 34 THR H 1 34 THR HB 1.800 . 3.300 2.520 2.397 3.411 0.111 16 0 "[ . 1 . 2]" 1
465 1 34 THR HA 1 35 THR H 1.800 . 4.000 3.559 3.551 3.581 . 0 0 "[ . 1 . 2]" 1
466 1 34 THR MG 1 39 GLN QG 1.800 . 4.500 2.843 1.815 3.747 . 0 0 "[ . 1 . 2]" 1
467 1 34 THR HA 1 34 THR MG 1.800 . 4.000 2.488 2.067 3.230 . 0 0 "[ . 1 . 2]" 1
468 1 35 THR H 1 35 THR HB 1.800 . 3.300 2.591 2.517 2.700 . 0 0 "[ . 1 . 2]" 1
469 1 35 THR H 1 35 THR MG 1.800 . 4.000 3.781 3.774 3.788 . 0 0 "[ . 1 . 2]" 1
470 1 35 THR HA 1 36 VAL H 1.800 . 4.000 3.542 3.500 3.560 . 0 0 "[ . 1 . 2]" 1
471 1 35 THR HB 1 36 VAL H 1.800 . 3.500 2.709 2.573 2.957 . 0 0 "[ . 1 . 2]" 1
472 1 35 THR MG 1 36 VAL H 1.800 . 4.000 3.688 3.535 3.926 . 0 0 "[ . 1 . 2]" 1
473 1 35 THR H 1 36 VAL H 1.800 . 3.300 2.586 2.536 2.627 . 0 0 "[ . 1 . 2]" 1
474 1 35 THR H 1 37 PHE H 1.800 . 5.500 4.420 4.204 4.618 . 0 0 "[ . 1 . 2]" 1
475 1 35 THR HA 1 37 PHE H 1.800 . 6.000 4.779 4.638 4.960 . 0 0 "[ . 1 . 2]" 1
476 1 35 THR H 1 35 THR HG1 1.800 . 5.000 2.817 2.283 3.239 . 0 0 "[ . 1 . 2]" 1
477 1 35 THR H 1 36 VAL QG 1.800 . 6.000 3.963 3.874 4.072 . 0 0 "[ . 1 . 2]" 1
478 1 35 THR H 1 36 VAL HB 1.800 . 6.000 4.908 4.862 4.952 . 0 0 "[ . 1 . 2]" 1
479 1 35 THR HA 1 38 GLY H 1.800 . 3.500 3.530 3.506 3.553 0.053 6 0 "[ . 1 . 2]" 1
480 1 36 VAL H 1 36 VAL HB 1.800 . 3.300 2.609 2.554 2.653 . 0 0 "[ . 1 . 2]" 1
481 1 36 VAL H 1 36 VAL MG1 1.800 . 4.000 3.786 3.782 3.790 . 0 0 "[ . 1 . 2]" 1
482 1 36 VAL H 1 36 VAL MG2 1.800 . 5.500 2.162 2.117 2.243 . 0 0 "[ . 1 . 2]" 1
483 1 36 VAL HA 1 37 PHE H 1.800 . 4.000 3.581 3.569 3.591 . 0 0 "[ . 1 . 2]" 1
484 1 36 VAL HB 1 37 PHE H 1.800 . 4.000 2.392 2.257 2.596 . 0 0 "[ . 1 . 2]" 1
485 1 36 VAL QG 1 37 PHE QD 1.800 . 5.500 3.262 2.859 3.643 . 0 0 "[ . 1 . 2]" 1
486 1 36 VAL QG 1 37 PHE H 1.800 . 5.500 3.121 3.008 3.257 . 0 0 "[ . 1 . 2]" 1
487 1 36 VAL QG 1 38 GLY H 1.800 . 6.000 4.448 4.345 4.540 . 0 0 "[ . 1 . 2]" 1
488 1 36 VAL HA 1 38 GLY H 1.800 . 5.000 4.387 4.118 4.680 . 0 0 "[ . 1 . 2]" 1
489 1 36 VAL HB 1 38 GLY H 1.800 . 5.000 4.614 4.478 4.798 . 0 0 "[ . 1 . 2]" 1
490 1 36 VAL H 1 37 PHE H 1.800 . 3.500 2.812 2.717 2.896 . 0 0 "[ . 1 . 2]" 1
491 1 36 VAL H 1 38 GLY H 1.800 . 5.000 3.794 3.637 3.931 . 0 0 "[ . 1 . 2]" 1
492 1 36 VAL HA 1 36 VAL QG 1.800 . 3.500 2.130 2.081 2.168 . 0 0 "[ . 1 . 2]" 1
493 1 37 PHE HA 1 38 GLY H 1.800 . 4.000 3.380 3.190 3.504 . 0 0 "[ . 1 . 2]" 1
494 1 37 PHE H 1 38 GLY H 1.800 . 3.300 2.441 2.314 2.569 . 0 0 "[ . 1 . 2]" 1
495 1 37 PHE H 1 37 PHE QD 1.800 . 5.000 2.762 2.007 3.397 . 0 0 "[ . 1 . 2]" 1
496 1 37 PHE H 1 37 PHE QB 1.800 . 3.500 2.463 2.391 2.540 . 0 0 "[ . 1 . 2]" 1
497 1 37 PHE QB 1 38 GLY H 1.800 . 4.500 3.252 2.896 3.616 . 0 0 "[ . 1 . 2]" 1
498 1 37 PHE H 1 37 PHE HZ 1.800 . 6.000 6.002 5.873 6.044 0.044 8 0 "[ . 1 . 2]" 1
499 1 37 PHE QD 1 38 GLY H 1.800 . 6.000 4.529 4.249 4.859 . 0 0 "[ . 1 . 2]" 1
500 1 37 PHE H 1 38 GLY QA 1.800 . 5.500 4.367 4.286 4.449 . 0 0 "[ . 1 . 2]" 1
501 1 37 PHE HA 1 37 PHE QD 1.800 . 4.000 2.619 2.121 3.175 . 0 0 "[ . 1 . 2]" 1
502 1 38 GLY QA 1 39 GLN H 1.800 . 3.000 2.277 2.212 2.299 . 0 0 "[ . 1 . 2]" 1
503 1 38 GLY H 1 39 GLN H 1.800 . 4.500 4.516 4.485 4.562 0.062 6 0 "[ . 1 . 2]" 1
504 1 38 GLY H 1 41 LEU MD2 1.800 . 6.000 5.715 4.978 5.989 . 0 0 "[ . 1 . 2]" 1
505 1 39 GLN QB 1 41 LEU MD2 1.800 . 6.000 5.613 5.088 5.908 . 0 0 "[ . 1 . 2]" 1
506 1 39 GLN H 1 39 GLN QG 1.800 . 4.000 2.543 2.069 3.881 . 0 0 "[ . 1 . 2]" 1
507 1 39 GLN HA 1 39 GLN QE 1.800 . 5.500 4.828 3.808 5.508 0.008 15 0 "[ . 1 . 2]" 1
508 1 39 GLN HA 1 40 PRO HA 1.800 . 4.000 2.249 2.167 2.350 . 0 0 "[ . 1 . 2]" 1
509 1 39 GLN HA 1 41 LEU H 1.800 . 4.000 2.967 2.560 3.283 . 0 0 "[ . 1 . 2]" 1
510 1 39 GLN H 1 41 LEU HG 1.800 . 6.000 4.842 4.103 6.001 0.001 8 0 "[ . 1 . 2]" 1
511 1 39 GLN H 1 41 LEU MD2 1.800 . 6.000 5.731 4.932 6.033 0.033 2 0 "[ . 1 . 2]" 1
512 1 40 PRO HA 1 41 LEU H 1.800 . 4.000 2.222 2.173 2.272 . 0 0 "[ . 1 . 2]" 1
513 1 40 PRO QB 1 41 LEU H 1.800 . 4.000 3.049 2.848 3.364 . 0 0 "[ . 1 . 2]" 1
514 1 40 PRO QG 1 83 GLN H 1.800 . 5.000 3.431 2.246 4.230 . 0 0 "[ . 1 . 2]" 1
515 1 41 LEU H 1 41 LEU QB 1.800 . 3.500 2.616 2.466 2.693 . 0 0 "[ . 1 . 2]" 1
516 1 41 LEU H 1 41 LEU MD2 1.800 . 4.500 4.246 3.952 4.524 0.024 8 0 "[ . 1 . 2]" 1
517 1 41 LEU H 1 41 LEU MD1 1.800 . 5.500 4.101 2.681 4.433 . 0 0 "[ . 1 . 2]" 1
518 1 41 LEU H 1 41 LEU HG 1.800 . 4.000 3.522 3.208 4.012 0.012 8 0 "[ . 1 . 2]" 1
519 1 41 LEU HA 1 42 ASP H 1.800 . 3.000 2.251 2.163 2.376 . 0 0 "[ . 1 . 2]" 1
520 1 41 LEU QB 1 42 ASP H 1.800 . 4.000 2.860 2.490 3.170 . 0 0 "[ . 1 . 2]" 1
521 1 41 LEU HG 1 42 ASP H 1.800 . 5.500 4.729 4.151 5.123 . 0 0 "[ . 1 . 2]" 1
522 1 41 LEU HA 1 81 LEU H 1.800 . 5.500 4.922 4.545 5.394 . 0 0 "[ . 1 . 2]" 1
523 1 41 LEU QB 1 81 LEU H 1.800 . 4.500 4.440 4.085 4.532 0.032 11 0 "[ . 1 . 2]" 1
524 1 41 LEU H 1 42 ASP H 1.800 . 5.000 4.370 4.267 4.487 . 0 0 "[ . 1 . 2]" 1
525 1 41 LEU QD 1 42 ASP H 1.800 . 6.000 3.060 2.598 4.127 . 0 0 "[ . 1 . 2]" 1
526 1 41 LEU H 1 41 LEU QD 1.800 . 5.000 3.681 2.662 3.821 . 0 0 "[ . 1 . 2]" 1
527 1 41 LEU QD 1 82 SER H 1.800 . 4.000 3.219 2.791 3.902 . 0 0 "[ . 1 . 2]" 1
528 1 41 LEU MD1 1 83 GLN H 1.800 . 6.000 5.855 4.905 6.034 0.034 18 0 "[ . 1 . 2]" 1
529 1 41 LEU HA 1 41 LEU QD 1.800 . 5.000 2.158 1.940 2.995 . 0 0 "[ . 1 . 2]" 1
530 1 41 LEU HA 1 41 LEU HG 1.800 . 4.500 2.805 2.389 3.107 . 0 0 "[ . 1 . 2]" 1
531 1 41 LEU QB 1 80 LEU HA 1.800 . 5.500 4.846 4.500 5.264 . 0 0 "[ . 1 . 2]" 1
532 1 41 LEU QD 1 82 SER HA 1.800 . 5.000 2.046 1.838 3.415 . 0 0 "[ . 1 . 2]" 1
533 1 41 LEU HG 1 82 SER HA 1.800 . 4.000 3.743 2.737 4.023 0.023 17 0 "[ . 1 . 2]" 1
534 1 41 LEU HG 1 82 SER QB 1.800 . 5.000 4.221 3.046 5.003 0.003 12 0 "[ . 1 . 2]" 1
535 1 41 LEU QB 1 82 SER HA 1.800 . 5.500 4.211 3.791 4.704 . 0 0 "[ . 1 . 2]" 1
536 1 41 LEU QB 1 41 LEU QD 1.800 . 4.000 1.893 1.826 1.936 . 0 0 "[ . 1 . 2]" 1
537 1 42 ASP H 1 42 ASP QB 1.800 . 3.500 2.427 2.284 2.986 . 0 0 "[ . 1 . 2]" 1
538 1 42 ASP QB 1 43 LEU H 1.800 . 4.000 3.349 2.980 3.836 . 0 0 "[ . 1 . 2]" 1
539 1 42 ASP HA 1 43 LEU H 1.800 . 3.000 2.187 2.148 2.221 . 0 0 "[ . 1 . 2]" 1
540 1 42 ASP H 1 81 LEU H 1.800 . 4.000 3.291 2.749 3.817 . 0 0 "[ . 1 . 2]" 1
541 1 42 ASP H 1 80 LEU HA 1.800 . 6.000 4.549 4.197 4.867 . 0 0 "[ . 1 . 2]" 1
542 1 42 ASP QB 1 81 LEU H 1.800 . 5.500 3.674 2.828 4.581 . 0 0 "[ . 1 . 2]" 1
543 1 42 ASP H 1 80 LEU HB2 1.800 . 4.500 4.098 3.553 4.509 0.009 11 0 "[ . 1 . 2]" 1
544 1 42 ASP H 1 81 LEU QB 1.800 . 5.500 4.637 3.916 5.414 . 0 0 "[ . 1 . 2]" 1
545 1 42 ASP HA 1 53 LEU QD 1.800 . 6.000 4.530 3.447 5.647 . 0 0 "[ . 1 . 2]" 1
546 1 42 ASP QB 1 53 LEU QD 1.800 . 5.000 3.468 2.167 4.944 . 0 0 "[ . 1 . 2]" 1
547 1 42 ASP QB 1 81 LEU QB 1.800 . 6.000 4.273 2.839 5.934 . 0 0 "[ . 1 . 2]" 1
548 1 42 ASP QB 1 44 HIS HD1 1.800 . 6.000 4.441 2.377 5.610 . 0 0 "[ . 1 . 2]" 1
549 1 43 LEU H 1 43 LEU QB 1.800 . 4.000 2.435 2.200 2.746 . 0 0 "[ . 1 . 2]" 1
550 1 43 LEU H 1 43 LEU HG 1.800 . 3.500 2.760 2.066 3.479 . 0 0 "[ . 1 . 2]" 1
551 1 43 LEU HA 1 44 HIS H 1.800 . 3.000 2.169 2.145 2.215 . 0 0 "[ . 1 . 2]" 1
552 1 43 LEU QB 1 44 HIS H 1.800 . 4.500 3.539 3.400 3.677 . 0 0 "[ . 1 . 2]" 1
553 1 43 LEU HA 1 79 LEU H 1.800 . 6.000 5.481 4.927 5.986 . 0 0 "[ . 1 . 2]" 1
554 1 43 LEU H 1 44 HIS H 1.800 . 5.000 4.304 4.161 4.397 . 0 0 "[ . 1 . 2]" 1
555 1 43 LEU H 1 43 LEU QD 1.800 . 4.500 2.998 2.018 3.606 . 0 0 "[ . 1 . 2]" 1
556 1 43 LEU H 1 53 LEU MD2 1.800 . 5.000 4.510 3.153 5.005 0.005 8 0 "[ . 1 . 2]" 1
557 1 43 LEU HA 1 80 LEU HA 1.800 . 4.500 3.013 2.323 3.520 . 0 0 "[ . 1 . 2]" 1
558 1 43 LEU HA 1 43 LEU HG 1.800 . 4.500 2.829 2.262 3.622 . 0 0 "[ . 1 . 2]" 1
559 1 43 LEU HA 1 43 LEU QD 1.800 . 4.500 2.509 1.992 3.453 . 0 0 "[ . 1 . 2]" 1
560 1 44 HIS H 1 44 HIS QB 1.800 . 3.500 2.365 2.205 2.484 . 0 0 "[ . 1 . 2]" 1
561 1 44 HIS HA 1 45 TYR H 1.800 . 3.000 2.154 2.132 2.185 . 0 0 "[ . 1 . 2]" 1
562 1 44 HIS H 1 45 TYR H 1.800 . 5.000 4.367 4.234 4.483 . 0 0 "[ . 1 . 2]" 1
563 1 44 HIS QB 1 45 TYR H 1.800 . 4.500 3.678 3.352 3.820 . 0 0 "[ . 1 . 2]" 1
564 1 44 HIS H 1 79 LEU H 1.800 . 4.500 3.975 3.487 4.380 . 0 0 "[ . 1 . 2]" 1
565 1 44 HIS H 1 80 LEU HA 1.800 . 4.000 2.763 2.368 3.260 . 0 0 "[ . 1 . 2]" 1
566 1 44 HIS QB 1 79 LEU H 1.800 . 6.000 3.714 3.410 4.087 . 0 0 "[ . 1 . 2]" 1
567 1 44 HIS H 1 44 HIS HD1 1.800 . 4.500 4.332 3.339 4.538 0.038 18 0 "[ . 1 . 2]" 1
568 1 44 HIS HA 1 53 LEU H 1.800 . 6.000 5.523 4.669 5.952 . 0 0 "[ . 1 . 2]" 1
569 1 44 HIS HA 1 44 HIS HD1 1.800 . 4.500 2.566 2.028 3.330 . 0 0 "[ . 1 . 2]" 1
570 1 44 HIS HA 1 54 LEU H 1.800 . 4.500 3.810 3.283 4.463 . 0 0 "[ . 1 . 2]" 1
571 1 44 HIS H 1 81 LEU H 1.800 . 5.000 4.222 3.844 4.686 . 0 0 "[ . 1 . 2]" 1
572 1 44 HIS HB3 1 81 LEU H 1.800 . 5.500 5.363 4.832 5.539 0.039 11 0 "[ . 1 . 2]" 1
573 1 44 HIS H 1 79 LEU QB 1.800 . 5.500 4.474 3.746 5.243 . 0 0 "[ . 1 . 2]" 1
574 1 44 HIS QB 1 51 SER QB 1.800 . 5.500 4.651 3.031 5.439 . 0 0 "[ . 1 . 2]" 1
575 1 44 HIS HA 1 53 LEU QB 1.800 . 6.000 4.571 3.733 5.445 . 0 0 "[ . 1 . 2]" 1
576 1 44 HIS QB 1 79 LEU QD 1.800 . 6.000 3.402 1.972 4.166 . 0 0 "[ . 1 . 2]" 1
577 1 44 HIS QB 1 79 LEU QB 1.800 . 5.500 3.199 2.593 4.426 . 0 0 "[ . 1 . 2]" 1
578 1 44 HIS QB 1 79 LEU HG 1.800 . 5.500 4.640 2.400 5.537 0.037 15 0 "[ . 1 . 2]" 1
579 1 44 HIS QB 1 46 MET QG 1.800 . 6.000 4.482 3.187 5.850 . 0 0 "[ . 1 . 2]" 1
580 1 44 HIS HA 1 53 LEU HA 1.800 . 4.000 3.011 2.350 3.593 . 0 0 "[ . 1 . 2]" 1
581 1 44 HIS QB 1 81 LEU MD2 1.800 . 5.000 4.168 2.061 5.005 0.005 8 0 "[ . 1 . 2]" 1
582 1 44 HIS HA 1 44 HIS HD2 1.800 . 5.000 3.436 2.111 4.809 . 0 0 "[ . 1 . 2]" 1
583 1 45 TYR H 1 45 TYR QB 1.800 . 3.300 2.298 2.222 2.460 . 0 0 "[ . 1 . 2]" 1
584 1 45 TYR H 1 45 TYR QD 1.800 . 4.000 4.042 4.002 4.060 0.060 18 0 "[ . 1 . 2]" 1
585 1 45 TYR HA 1 46 MET H 1.800 . 3.000 2.161 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
586 1 45 TYR QB 1 46 MET H 1.800 . 5.000 3.748 3.579 3.886 . 0 0 "[ . 1 . 2]" 1
587 1 45 TYR H 1 46 MET H 1.800 . 5.000 4.431 4.351 4.512 . 0 0 "[ . 1 . 2]" 1
588 1 45 TYR H 1 52 ILE H 1.800 . 4.000 3.800 3.268 4.006 0.006 7 0 "[ . 1 . 2]" 1
589 1 45 TYR H 1 53 LEU HA 1.800 . 4.500 3.056 2.634 3.792 . 0 0 "[ . 1 . 2]" 1
590 1 45 TYR H 1 54 LEU H 1.800 . 5.000 3.778 3.403 4.579 . 0 0 "[ . 1 . 2]" 1
591 1 45 TYR H 1 54 LEU HG 1.800 . 5.000 4.154 3.184 5.016 0.016 18 0 "[ . 1 . 2]" 1
592 1 45 TYR H 1 54 LEU QD 1.800 . 6.000 3.074 2.180 4.102 . 0 0 "[ . 1 . 2]" 1
593 1 45 TYR QD 1 77 ARG H 1.800 . 5.500 4.763 3.545 5.470 . 0 0 "[ . 1 . 2]" 1
594 1 45 TYR QE 1 77 ARG H 1.800 . 5.000 3.677 2.232 4.560 . 0 0 "[ . 1 . 2]" 1
595 1 45 TYR HA 1 79 LEU H 1.800 . 5.000 3.196 2.889 3.798 . 0 0 "[ . 1 . 2]" 1
596 1 45 TYR QD 1 47 ASN H 1.800 . 6.000 4.164 3.844 4.982 . 0 0 "[ . 1 . 2]" 1
597 1 45 TYR QE 1 47 ASN H 1.800 . 6.000 4.301 3.384 5.912 . 0 0 "[ . 1 . 2]" 1
598 1 45 TYR QD 1 52 ILE H 1.800 . 5.000 3.447 2.451 4.633 . 0 0 "[ . 1 . 2]" 1
599 1 45 TYR QD 1 46 MET H 1.800 . 4.500 3.624 3.001 3.939 . 0 0 "[ . 1 . 2]" 1
600 1 45 TYR QE 1 46 MET H 1.800 . 5.500 4.687 4.492 5.069 . 0 0 "[ . 1 . 2]" 1
601 1 45 TYR HA 1 45 TYR QD 1.800 . 5.000 3.039 2.046 3.173 . 0 0 "[ . 1 . 2]" 1
602 1 45 TYR HA 1 45 TYR QE 1.800 . 6.000 4.753 4.160 4.897 . 0 0 "[ . 1 . 2]" 1
603 1 46 MET H 1 46 MET QB 1.800 . 3.500 2.734 2.335 3.121 . 0 0 "[ . 1 . 2]" 1
604 1 46 MET H 1 46 MET QG 1.800 . 4.500 2.874 2.034 4.191 . 0 0 "[ . 1 . 2]" 1
605 1 46 MET HA 1 47 ASN H 1.800 . 3.000 2.161 2.130 2.208 . 0 0 "[ . 1 . 2]" 1
606 1 46 MET QB 1 47 ASN H 1.800 . 4.000 3.298 3.026 3.929 . 0 0 "[ . 1 . 2]" 1
607 1 46 MET H 1 47 ASN H 1.800 . 5.000 4.316 4.083 4.505 . 0 0 "[ . 1 . 2]" 1
608 1 46 MET QG 1 47 ASN H 1.800 . 6.000 4.061 2.930 4.524 . 0 0 "[ . 1 . 2]" 1
609 1 46 MET H 1 77 ARG H 1.800 . 6.000 5.610 5.185 6.004 0.004 5 0 "[ . 1 . 2]" 1
610 1 46 MET H 1 78 ILE HA 1.800 . 4.500 3.327 2.576 4.087 . 0 0 "[ . 1 . 2]" 1
611 1 46 MET H 1 79 LEU H 1.800 . 6.000 3.800 3.248 4.361 . 0 0 "[ . 1 . 2]" 1
612 1 46 MET QG 1 79 LEU H 1.800 . 6.000 4.434 3.247 5.790 . 0 0 "[ . 1 . 2]" 1
613 1 46 MET H 1 77 ARG QB 1.800 . 5.000 4.062 3.343 4.958 . 0 0 "[ . 1 . 2]" 1
614 1 46 MET HA 1 50 LEU H 1.800 . 5.500 5.212 4.484 5.514 0.014 5 0 "[ . 1 . 2]" 1
615 1 46 MET HA 1 52 ILE H 1.800 . 4.500 3.139 2.580 3.773 . 0 0 "[ . 1 . 2]" 1
616 1 46 MET QB 1 52 ILE H 1.800 . 5.000 4.657 3.919 5.022 0.022 6 0 "[ . 1 . 2]" 1
617 1 46 MET HA 1 51 SER HA 1.800 . 4.000 2.459 1.986 2.855 . 0 0 "[ . 1 . 2]" 1
618 1 46 MET QB 1 51 SER HA 1.800 . 5.000 3.603 2.367 4.246 . 0 0 "[ . 1 . 2]" 1
619 1 46 MET QG 1 51 SER HA 1.800 . 6.000 3.749 1.994 5.379 . 0 0 "[ . 1 . 2]" 1
620 1 46 MET QG 1 51 SER QB 1.800 . 6.000 3.796 1.892 5.854 . 0 0 "[ . 1 . 2]" 1
621 1 46 MET QG 1 79 LEU MD1 1.800 . 6.000 4.394 1.973 5.940 . 0 0 "[ . 1 . 2]" 1
622 1 46 MET QG 1 79 LEU MD2 1.800 . 5.500 4.098 1.869 5.505 0.005 19 0 "[ . 1 . 2]" 1
623 1 46 MET QG 1 79 LEU QB 1.800 . 5.000 3.805 2.477 4.985 . 0 0 "[ . 1 . 2]" 1
624 1 47 ASN H 1 50 LEU H 1.800 . 4.000 3.927 3.524 4.049 0.049 20 0 "[ . 1 . 2]" 1
625 1 47 ASN H 1 51 SER HA 1.800 . 4.000 3.639 3.196 4.014 0.014 12 0 "[ . 1 . 2]" 1
626 1 47 ASN H 1 52 ILE MD 1.800 . 6.000 4.171 2.852 5.568 . 0 0 "[ . 1 . 2]" 1
627 1 47 ASN HA 1 47 ASN QD 1.800 . 6.000 3.687 2.409 4.077 . 0 0 "[ . 1 . 2]" 1
628 1 47 ASN H 1 47 ASN QD 1.800 . 6.000 4.141 3.050 4.773 . 0 0 "[ . 1 . 2]" 1
629 1 47 ASN QD 1 50 LEU QB 1.800 . 6.000 4.637 3.285 5.996 . 0 0 "[ . 1 . 2]" 1
630 1 47 ASN QD 1 52 ILE MD 1.800 . 6.000 3.802 2.136 5.606 . 0 0 "[ . 1 . 2]" 1
631 1 47 ASN QD 1 66 ILE MD 1.800 . 5.000 3.284 2.040 4.328 . 0 0 "[ . 1 . 2]" 1
632 1 47 ASN H 1 49 GLU H 1.800 . 6.000 4.730 4.320 5.211 . 0 0 "[ . 1 . 2]" 1
633 1 47 ASN H 1 48 ASN H 1.800 . 6.000 2.555 2.240 2.795 . 0 0 "[ . 1 . 2]" 1
634 1 47 ASN HA 1 48 ASN H 1.800 . 4.000 3.557 3.521 3.579 . 0 0 "[ . 1 . 2]" 1
635 1 47 ASN H 1 51 SER QB 1.800 . 6.000 5.302 4.329 5.793 . 0 0 "[ . 1 . 2]" 1
636 1 47 ASN H 1 52 ILE H 1.800 . 5.500 4.326 3.763 4.759 . 0 0 "[ . 1 . 2]" 1
637 1 47 ASN H 1 52 ILE QG 1.800 . 6.000 4.443 3.037 5.833 . 0 0 "[ . 1 . 2]" 1
638 1 47 ASN QD 1 66 ILE MG 1.800 . 5.000 3.033 2.154 3.951 . 0 0 "[ . 1 . 2]" 1
639 1 47 ASN QD 1 66 ILE HG12 1.800 . 6.000 5.022 4.093 5.967 . 0 0 "[ . 1 . 2]" 1
640 1 47 ASN QB 1 50 LEU H 1.800 . 5.500 3.575 3.062 4.835 . 0 0 "[ . 1 . 2]" 1
641 1 47 ASN QB 1 50 LEU QB 1.800 . 5.500 3.752 3.346 4.812 . 0 0 "[ . 1 . 2]" 1
642 1 47 ASN QB 1 50 LEU QD 1.800 . 6.000 4.333 2.315 5.838 . 0 0 "[ . 1 . 2]" 1
643 1 47 ASN QB 1 52 ILE MD 1.800 . 5.000 3.632 2.552 5.002 0.002 6 0 "[ . 1 . 2]" 1
644 1 47 ASN QB 1 66 ILE MD 1.800 . 6.000 4.726 2.447 5.960 . 0 0 "[ . 1 . 2]" 1
645 1 47 ASN QB 1 48 ASN QB 1.800 . 6.000 3.258 2.995 3.782 . 0 0 "[ . 1 . 2]" 1
646 1 48 ASN QB 1 49 GLU H 1.800 . 3.500 2.325 2.003 3.187 . 0 0 "[ . 1 . 2]" 1
647 1 48 ASN H 1 49 GLU H 1.800 . 3.000 2.434 2.185 2.642 . 0 0 "[ . 1 . 2]" 1
648 1 48 ASN HA 1 49 GLU H 1.800 . 5.000 3.566 3.558 3.577 . 0 0 "[ . 1 . 2]" 1
649 1 48 ASN QB 1 50 LEU H 1.800 . 5.000 4.068 3.765 4.933 . 0 0 "[ . 1 . 2]" 1
650 1 48 ASN H 1 50 LEU H 1.800 . 3.500 2.697 2.339 3.110 . 0 0 "[ . 1 . 2]" 1
651 1 48 ASN HA 1 48 ASN QD 1.800 . 5.000 3.440 2.231 4.057 . 0 0 "[ . 1 . 2]" 1
652 1 48 ASN HA 1 49 GLU HA 1.800 . 5.000 4.568 4.557 4.585 . 0 0 "[ . 1 . 2]" 1
653 1 49 GLU H 1 49 GLU QB 1.800 . 3.500 2.469 2.255 3.112 . 0 0 "[ . 1 . 2]" 1
654 1 49 GLU HA 1 50 LEU H 1.800 . 4.000 3.424 3.109 3.559 . 0 0 "[ . 1 . 2]" 1
655 1 49 GLU QB 1 50 LEU H 1.800 . 4.500 3.104 2.681 3.968 . 0 0 "[ . 1 . 2]" 1
656 1 49 GLU H 1 50 LEU H 1.800 . 3.500 2.092 1.984 2.333 . 0 0 "[ . 1 . 2]" 1
657 1 49 GLU H 1 49 GLU QG 1.800 . 4.000 3.217 1.979 4.021 0.021 20 0 "[ . 1 . 2]" 1
658 1 49 GLU H 1 50 LEU QB 1.800 . 6.000 3.970 3.579 4.261 . 0 0 "[ . 1 . 2]" 1
659 1 49 GLU QB 1 50 LEU QD 1.800 . 5.000 3.443 2.358 4.693 . 0 0 "[ . 1 . 2]" 1
660 1 50 LEU H 1 50 LEU QB 1.800 . 4.000 2.438 2.192 3.091 . 0 0 "[ . 1 . 2]" 1
661 1 50 LEU H 1 50 LEU QD 1.800 . 6.000 3.270 2.236 3.932 . 0 0 "[ . 1 . 2]" 1
662 1 50 LEU H 1 50 LEU HG 1.800 . 6.000 3.944 2.308 4.721 . 0 0 "[ . 1 . 2]" 1
663 1 50 LEU HA 1 51 SER H 1.800 . 3.000 2.271 2.166 2.430 . 0 0 "[ . 1 . 2]" 1
664 1 50 LEU HG 1 51 SER H 1.800 . 4.500 3.846 2.165 4.484 . 0 0 "[ . 1 . 2]" 1
665 1 50 LEU QD 1 51 SER H 1.800 . 6.000 2.908 2.023 4.011 . 0 0 "[ . 1 . 2]" 1
666 1 50 LEU H 1 51 SER H 1.800 . 4.500 4.488 4.379 4.536 0.036 4 0 "[ . 1 . 2]" 1
667 1 50 LEU HA 1 50 LEU QD 1.800 . 4.500 2.583 1.901 3.417 . 0 0 "[ . 1 . 2]" 1
668 1 50 LEU QB 1 50 LEU QD 1.800 . 3.500 1.885 1.805 2.038 . 0 0 "[ . 1 . 2]" 1
669 1 50 LEU HA 1 50 LEU HG 1.800 . 4.000 2.760 2.165 3.669 . 0 0 "[ . 1 . 2]" 1
670 1 51 SER HA 1 52 ILE H 1.800 . 3.000 2.154 2.131 2.176 . 0 0 "[ . 1 . 2]" 1
671 1 51 SER QB 1 52 ILE H 1.800 . 4.500 3.325 3.104 3.707 . 0 0 "[ . 1 . 2]" 1
672 1 51 SER H 1 52 ILE H 1.800 . 5.000 4.379 4.257 4.471 . 0 0 "[ . 1 . 2]" 1
673 1 51 SER H 1 52 ILE QG 1.800 . 6.000 4.258 3.853 4.874 . 0 0 "[ . 1 . 2]" 1
674 1 52 ILE H 1 52 ILE HB 1.800 . 3.500 2.783 2.688 3.564 0.064 4 0 "[ . 1 . 2]" 1
675 1 52 ILE H 1 52 ILE QG 1.800 . 4.000 2.675 1.940 3.215 . 0 0 "[ . 1 . 2]" 1
676 1 52 ILE H 1 52 ILE MG 1.800 . 5.000 3.875 3.399 3.932 . 0 0 "[ . 1 . 2]" 1
677 1 52 ILE HA 1 53 LEU H 1.800 . 3.000 2.186 2.170 2.207 . 0 0 "[ . 1 . 2]" 1
678 1 52 ILE MG 1 53 LEU H 1.800 . 4.000 2.460 2.255 3.405 . 0 0 "[ . 1 . 2]" 1
679 1 52 ILE H 1 53 LEU H 1.800 . 4.500 4.408 4.357 4.451 . 0 0 "[ . 1 . 2]" 1
680 1 52 ILE HB 1 53 LEU H 1.800 . 4.000 3.976 3.253 4.038 0.038 6 0 "[ . 1 . 2]" 1
681 1 52 ILE QG 1 53 LEU H 1.800 . 5.000 4.374 4.221 4.714 . 0 0 "[ . 1 . 2]" 1
682 1 52 ILE HA 1 52 ILE QG 1.800 . 4.000 2.689 2.432 3.244 . 0 0 "[ . 1 . 2]" 1
683 1 52 ILE HA 1 52 ILE MG 1.800 . 4.000 2.299 1.997 2.391 . 0 0 "[ . 1 . 2]" 1
684 1 52 ILE HA 1 52 ILE MD 1.800 . 5.000 3.442 2.057 4.175 . 0 0 "[ . 1 . 2]" 1
685 1 53 LEU H 1 53 LEU QB 1.800 . 3.300 2.289 2.122 2.506 . 0 0 "[ . 1 . 2]" 1
686 1 53 LEU H 1 53 LEU QD 1.800 . 6.000 3.601 2.166 3.858 . 0 0 "[ . 1 . 2]" 1
687 1 53 LEU H 1 53 LEU HG 1.800 . 4.500 4.175 2.638 4.525 0.025 14 0 "[ . 1 . 2]" 1
688 1 53 LEU HA 1 54 LEU H 1.800 . 3.000 2.166 2.143 2.189 . 0 0 "[ . 1 . 2]" 1
689 1 53 LEU QB 1 54 LEU H 1.800 . 5.000 3.555 3.083 3.781 . 0 0 "[ . 1 . 2]" 1
690 1 53 LEU QD 1 54 LEU H 1.800 . 5.000 2.804 2.146 4.308 . 0 0 "[ . 1 . 2]" 1
691 1 53 LEU H 1 54 LEU H 1.800 . 5.000 4.481 4.406 4.559 . 0 0 "[ . 1 . 2]" 1
692 1 53 LEU MD1 1 55 LYS H 1.800 . 6.000 5.631 4.584 6.024 0.024 3 0 "[ . 1 . 2]" 1
693 1 53 LEU HA 1 53 LEU MD1 1.800 . 5.000 3.201 2.080 3.908 . 0 0 "[ . 1 . 2]" 1
694 1 53 LEU HA 1 53 LEU MD2 1.800 . 4.000 2.902 1.938 3.931 . 0 0 "[ . 1 . 2]" 1
695 1 53 LEU HA 1 53 LEU QD 1.800 . 5.000 2.434 1.839 3.079 . 0 0 "[ . 1 . 2]" 1
696 1 53 LEU QB 1 53 LEU QD 1.800 . 4.000 1.906 1.802 2.076 . 0 0 "[ . 1 . 2]" 1
697 1 54 LEU H 1 54 LEU QB 1.800 . 3.500 2.656 2.235 3.081 . 0 0 "[ . 1 . 2]" 1
698 1 54 LEU HA 1 55 LYS H 1.800 . 3.300 2.225 2.150 2.376 . 0 0 "[ . 1 . 2]" 1
699 1 54 LEU QB 1 55 LYS H 1.800 . 6.000 3.618 3.077 3.843 . 0 0 "[ . 1 . 2]" 1
700 1 54 LEU H 1 55 LYS H 1.800 . 6.000 4.122 3.752 4.548 . 0 0 "[ . 1 . 2]" 1
701 1 54 LEU H 1 54 LEU HG 1.800 . 4.000 2.697 2.035 4.025 0.025 11 0 "[ . 1 . 2]" 1
702 1 54 LEU QB 1 56 ASN H 1.800 . 6.000 4.061 3.311 4.796 . 0 0 "[ . 1 . 2]" 1
703 1 54 LEU HA 1 59 ASP H 1.800 . 5.000 4.875 4.583 5.033 0.033 13 0 "[ . 1 . 2]" 1
704 1 54 LEU HA 1 60 LEU H 1.800 . 6.000 4.680 4.073 5.186 . 0 0 "[ . 1 . 2]" 1
705 1 54 LEU HA 1 54 LEU QD 1.800 . 4.500 2.662 1.968 3.462 . 0 0 "[ . 1 . 2]" 1
706 1 54 LEU QB 1 54 LEU QD 1.800 . 4.000 1.877 1.787 2.062 0.013 7 0 "[ . 1 . 2]" 1
707 1 54 LEU QD 1 59 ASP QB 1.800 . 5.000 2.471 1.791 4.064 0.009 13 0 "[ . 1 . 2]" 1
708 1 54 LEU QD 1 60 LEU HA 1.800 . 5.000 2.517 1.931 3.743 . 0 0 "[ . 1 . 2]" 1
709 1 55 LYS H 1 55 LYS QG 1.800 . 4.000 3.399 2.009 4.030 0.030 20 0 "[ . 1 . 2]" 1
710 1 55 LYS HA 1 56 ASN H 1.800 . 3.500 3.387 2.930 3.566 0.066 19 0 "[ . 1 . 2]" 1
711 1 55 LYS QG 1 56 ASN H 1.800 . 5.500 4.080 2.112 4.661 . 0 0 "[ . 1 . 2]" 1
712 1 55 LYS H 1 56 ASN H 1.800 . 3.300 2.349 2.048 2.788 . 0 0 "[ . 1 . 2]" 1
713 1 55 LYS H 1 59 ASP QB 1.800 . 4.000 2.956 2.229 3.477 . 0 0 "[ . 1 . 2]" 1
714 1 55 LYS H 1 59 ASP H 1.800 . 6.000 4.853 4.080 5.472 . 0 0 "[ . 1 . 2]" 1
715 1 55 LYS QB 1 56 ASN H 1.800 . 4.000 3.061 2.076 4.032 0.032 15 0 "[ . 1 . 2]" 1
716 1 55 LYS QB 1 56 ASN QD 1.800 . 6.000 4.249 2.117 5.822 . 0 0 "[ . 1 . 2]" 1
717 1 55 LYS H 1 56 ASN HA 1.800 . 7.000 4.930 4.644 5.162 . 0 0 "[ . 1 . 2]" 1
718 1 55 LYS QB 1 59 ASP H 1.800 . 7.000 5.817 4.467 6.962 . 0 0 "[ . 1 . 2]" 1
719 1 55 LYS H 1 60 LEU H 1.800 . 6.000 5.506 4.551 5.964 . 0 0 "[ . 1 . 2]" 1
720 1 55 LYS HA 1 55 LYS QG 1.800 . 3.500 2.416 2.014 3.386 . 0 0 "[ . 1 . 2]" 1
721 1 55 LYS HA 1 55 LYS QD 1.800 . 5.000 3.691 2.537 4.474 . 0 0 "[ . 1 . 2]" 1
722 1 55 LYS QB 1 55 LYS QE 1.800 . 5.000 3.267 2.214 3.658 . 0 0 "[ . 1 . 2]" 1
723 1 55 LYS QB 1 56 ASN HA 1.800 . 6.000 4.388 4.007 4.837 . 0 0 "[ . 1 . 2]" 1
724 1 56 ASN HA 1 57 GLN H 1.800 . 3.300 2.486 2.324 2.757 . 0 0 "[ . 1 . 2]" 1
725 1 56 ASN QB 1 57 GLN H 1.800 . 3.500 2.446 1.943 2.940 . 0 0 "[ . 1 . 2]" 1
726 1 56 ASN H 1 58 ASP H 1.800 . 6.000 4.794 4.087 5.191 . 0 0 "[ . 1 . 2]" 1
727 1 56 ASN QD 1 57 GLN H 1.800 . 6.000 4.013 2.273 5.055 . 0 0 "[ . 1 . 2]" 1
728 1 56 ASN QD 1 58 ASP H 1.800 . 6.000 4.132 2.318 5.452 . 0 0 "[ . 1 . 2]" 1
729 1 56 ASN QD 1 59 ASP H 1.800 . 6.000 4.881 2.387 6.052 0.052 8 0 "[ . 1 . 2]" 1
730 1 56 ASN H 1 57 GLN H 1.800 . 5.500 4.431 4.305 4.561 . 0 0 "[ . 1 . 2]" 1
731 1 56 ASN H 1 59 ASP H 1.800 . 4.000 3.613 3.004 4.003 0.003 17 0 "[ . 1 . 2]" 1
732 1 56 ASN H 1 59 ASP QB 1.800 . 3.500 2.839 2.264 3.379 . 0 0 "[ . 1 . 2]" 1
733 1 56 ASN H 1 60 LEU H 1.800 . 5.000 4.524 3.678 5.004 0.004 2 0 "[ . 1 . 2]" 1
734 1 56 ASN QB 1 58 ASP H 1.800 . 4.500 2.550 2.294 3.349 . 0 0 "[ . 1 . 2]" 1
735 1 56 ASN H 1 56 ASN QD 1.800 . 6.000 4.149 2.555 5.034 . 0 0 "[ . 1 . 2]" 1
736 1 57 GLN H 1 57 GLN QB 1.800 . 3.300 2.183 2.069 2.260 . 0 0 "[ . 1 . 2]" 1
737 1 57 GLN H 1 57 GLN QG 1.800 . 4.000 3.783 3.017 4.033 0.033 20 0 "[ . 1 . 2]" 1
738 1 57 GLN QB 1 58 ASP H 1.800 . 4.000 2.772 2.637 2.931 . 0 0 "[ . 1 . 2]" 1
739 1 57 GLN H 1 58 ASP H 1.800 . 3.500 2.691 2.618 2.809 . 0 0 "[ . 1 . 2]" 1
740 1 57 GLN HA 1 58 ASP H 1.800 . 5.000 3.518 3.499 3.540 . 0 0 "[ . 1 . 2]" 1
741 1 57 GLN HA 1 59 ASP H 1.800 . 5.500 4.335 4.130 4.579 . 0 0 "[ . 1 . 2]" 1
742 1 57 GLN HA 1 60 LEU H 1.800 . 4.000 3.340 3.162 3.577 . 0 0 "[ . 1 . 2]" 1
743 1 57 GLN HA 1 61 ASP H 1.800 . 5.000 4.054 3.789 4.378 . 0 0 "[ . 1 . 2]" 1
744 1 57 GLN QE 1 60 LEU QB 1.800 . 6.000 3.528 2.111 4.730 . 0 0 "[ . 1 . 2]" 1
745 1 57 GLN QE 1 60 LEU HG 1.800 . 6.000 4.821 3.624 5.949 . 0 0 "[ . 1 . 2]" 1
746 1 57 GLN QE 1 60 LEU QD 1.800 . 4.500 2.651 1.844 4.168 . 0 0 "[ . 1 . 2]" 1
747 1 57 GLN QE 1 61 ASP H 1.800 . 5.500 4.722 3.633 5.319 . 0 0 "[ . 1 . 2]" 1
748 1 57 GLN H 1 59 ASP H 1.800 . 5.000 4.465 4.216 4.586 . 0 0 "[ . 1 . 2]" 1
749 1 57 GLN HA 1 57 GLN QG 1.800 . 4.500 2.335 2.019 2.848 . 0 0 "[ . 1 . 2]" 1
750 1 57 GLN HA 1 60 LEU QB 1.800 . 5.000 2.671 2.424 3.207 . 0 0 "[ . 1 . 2]" 1
751 1 58 ASP H 1 58 ASP QB 1.800 . 3.500 2.200 2.065 2.676 . 0 0 "[ . 1 . 2]" 1
752 1 58 ASP QB 1 59 ASP H 1.800 . 3.500 2.559 2.373 2.776 . 0 0 "[ . 1 . 2]" 1
753 1 58 ASP H 1 59 ASP H 1.800 . 3.500 2.813 2.707 2.890 . 0 0 "[ . 1 . 2]" 1
754 1 58 ASP H 1 60 LEU H 1.800 . 5.000 4.229 4.046 4.461 . 0 0 "[ . 1 . 2]" 1
755 1 58 ASP HA 1 61 ASP H 1.800 . 4.000 3.565 3.395 3.701 . 0 0 "[ . 1 . 2]" 1
756 1 58 ASP HA 1 62 LYS H 1.800 . 4.500 4.179 3.840 4.450 . 0 0 "[ . 1 . 2]" 1
757 1 58 ASP HA 1 59 ASP H 1.800 . 4.500 3.556 3.535 3.570 . 0 0 "[ . 1 . 2]" 1
758 1 58 ASP HA 1 61 ASP QB 1.800 . 4.000 2.851 2.547 4.048 0.048 1 0 "[ . 1 . 2]" 1
759 1 59 ASP HA 1 60 LEU H 1.800 . 4.000 3.540 3.503 3.565 . 0 0 "[ . 1 . 2]" 1
760 1 59 ASP QB 1 60 LEU H 1.800 . 4.000 2.608 2.410 2.865 . 0 0 "[ . 1 . 2]" 1
761 1 59 ASP H 1 60 LEU H 1.800 . 3.500 2.676 2.571 2.794 . 0 0 "[ . 1 . 2]" 1
762 1 59 ASP H 1 61 ASP H 1.800 . 5.000 4.164 4.024 4.392 . 0 0 "[ . 1 . 2]" 1
763 1 59 ASP HA 1 61 ASP H 1.800 . 4.500 4.483 4.373 4.532 0.032 18 0 "[ . 1 . 2]" 1
764 1 59 ASP HA 1 62 LYS H 1.800 . 4.000 3.579 3.329 3.755 . 0 0 "[ . 1 . 2]" 1
765 1 59 ASP HA 1 63 ALA H 1.800 . 4.500 4.379 4.163 4.498 . 0 0 "[ . 1 . 2]" 1
766 1 59 ASP H 1 60 LEU QB 1.800 . 5.500 4.434 4.293 4.637 . 0 0 "[ . 1 . 2]" 1
767 1 59 ASP HA 1 62 LYS QB 1.800 . 5.000 2.939 2.365 4.015 . 0 0 "[ . 1 . 2]" 1
768 1 60 LEU H 1 60 LEU QB 1.800 . 3.300 2.241 2.178 2.462 . 0 0 "[ . 1 . 2]" 1
769 1 60 LEU HA 1 61 ASP H 1.800 . 4.500 3.548 3.536 3.575 . 0 0 "[ . 1 . 2]" 1
770 1 60 LEU QB 1 61 ASP H 1.800 . 4.000 2.555 2.476 2.637 . 0 0 "[ . 1 . 2]" 1
771 1 60 LEU HG 1 61 ASP H 1.800 . 4.500 4.156 3.794 4.553 0.053 10 0 "[ . 1 . 2]" 1
772 1 60 LEU H 1 61 ASP H 1.800 . 3.300 2.660 2.516 2.773 . 0 0 "[ . 1 . 2]" 1
773 1 60 LEU HA 1 62 LYS H 1.800 . 5.000 4.430 4.317 4.557 . 0 0 "[ . 1 . 2]" 1
774 1 60 LEU HA 1 63 ALA H 1.800 . 4.000 3.506 3.351 3.701 . 0 0 "[ . 1 . 2]" 1
775 1 60 LEU HA 1 64 ILE H 1.800 . 5.000 4.549 4.042 4.881 . 0 0 "[ . 1 . 2]" 1
776 1 60 LEU QD 1 61 ASP H 1.800 . 6.000 3.750 2.493 4.079 . 0 0 "[ . 1 . 2]" 1
777 1 60 LEU H 1 60 LEU HG 1.800 . 5.000 4.274 2.253 4.586 . 0 0 "[ . 1 . 2]" 1
778 1 60 LEU H 1 60 LEU QD 1.800 . 6.000 3.588 3.054 3.710 . 0 0 "[ . 1 . 2]" 1
779 1 60 LEU HA 1 60 LEU QD 1.800 . 5.000 2.335 1.989 3.030 . 0 0 "[ . 1 . 2]" 1
780 1 60 LEU HA 1 60 LEU HG 1.800 . 4.500 2.829 2.442 3.813 . 0 0 "[ . 1 . 2]" 1
781 1 60 LEU HA 1 63 ALA MB 1.800 . 4.500 2.712 2.309 3.144 . 0 0 "[ . 1 . 2]" 1
782 1 61 ASP H 1 61 ASP QB 1.800 . 3.300 2.184 2.072 2.500 . 0 0 "[ . 1 . 2]" 1
783 1 61 ASP QB 1 62 LYS H 1.800 . 3.500 2.690 2.520 3.555 0.055 1 0 "[ . 1 . 2]" 1
784 1 61 ASP H 1 62 LYS H 1.800 . 3.300 2.673 2.533 2.740 . 0 0 "[ . 1 . 2]" 1
785 1 61 ASP H 1 63 ALA H 1.800 . 5.000 4.113 3.974 4.234 . 0 0 "[ . 1 . 2]" 1
786 1 61 ASP HA 1 64 ILE H 1.800 . 4.000 3.504 3.325 3.654 . 0 0 "[ . 1 . 2]" 1
787 1 61 ASP HA 1 65 ASP H 1.800 . 5.000 4.537 4.087 4.912 . 0 0 "[ . 1 . 2]" 1
788 1 61 ASP HA 1 62 LYS H 1.800 . 4.000 3.539 3.495 3.558 . 0 0 "[ . 1 . 2]" 1
789 1 61 ASP HA 1 64 ILE HB 1.800 . 4.000 3.335 3.057 3.693 . 0 0 "[ . 1 . 2]" 1
790 1 62 LYS H 1 62 LYS QB 1.800 . 3.500 2.203 2.068 2.629 . 0 0 "[ . 1 . 2]" 1
791 1 62 LYS H 1 62 LYS QG 1.800 . 4.000 3.346 2.114 4.020 0.020 12 0 "[ . 1 . 2]" 1
792 1 62 LYS H 1 63 ALA H 1.800 . 3.000 2.636 2.546 2.679 . 0 0 "[ . 1 . 2]" 1
793 1 62 LYS HA 1 63 ALA H 1.800 . 4.500 3.529 3.500 3.542 . 0 0 "[ . 1 . 2]" 1
794 1 62 LYS QB 1 63 ALA H 1.800 . 4.000 2.796 2.589 3.546 . 0 0 "[ . 1 . 2]" 1
795 1 62 LYS HA 1 64 ILE H 1.800 . 5.500 4.330 4.168 4.551 . 0 0 "[ . 1 . 2]" 1
796 1 62 LYS H 1 64 ILE H 1.800 . 5.000 4.220 4.126 4.369 . 0 0 "[ . 1 . 2]" 1
797 1 62 LYS HA 1 65 ASP H 1.800 . 4.000 3.511 3.422 3.655 . 0 0 "[ . 1 . 2]" 1
798 1 62 LYS HA 1 66 ILE H 1.800 . 5.000 4.622 4.280 4.886 . 0 0 "[ . 1 . 2]" 1
799 1 62 LYS H 1 63 ALA MB 1.800 . 5.500 4.270 4.151 4.317 . 0 0 "[ . 1 . 2]" 1
800 1 62 LYS H 1 65 ASP H 1.800 . 6.000 5.001 4.797 5.219 . 0 0 "[ . 1 . 2]" 1
801 1 62 LYS HA 1 62 LYS QG 1.800 . 5.000 2.362 2.037 3.363 . 0 0 "[ . 1 . 2]" 1
802 1 62 LYS HA 1 65 ASP QB 1.800 . 4.000 2.919 2.553 3.425 . 0 0 "[ . 1 . 2]" 1
803 1 62 LYS QE 1 62 LYS QG 1.800 . 4.500 2.184 1.947 2.529 . 0 0 "[ . 1 . 2]" 1
804 1 63 ALA H 1 63 ALA MB 1.800 . 3.000 2.145 2.095 2.246 . 0 0 "[ . 1 . 2]" 1
805 1 63 ALA MB 1 64 ILE H 1.800 . 3.500 2.672 2.516 2.788 . 0 0 "[ . 1 . 2]" 1
806 1 63 ALA HA 1 64 ILE H 1.800 . 4.000 3.541 3.525 3.564 . 0 0 "[ . 1 . 2]" 1
807 1 63 ALA H 1 64 ILE H 1.800 . 3.300 2.678 2.620 2.737 . 0 0 "[ . 1 . 2]" 1
808 1 63 ALA HA 1 65 ASP H 1.800 . 5.000 4.480 4.386 4.540 . 0 0 "[ . 1 . 2]" 1
809 1 63 ALA HA 1 66 ILE H 1.800 . 4.000 3.604 3.466 3.768 . 0 0 "[ . 1 . 2]" 1
810 1 63 ALA HA 1 67 LEU H 1.800 . 5.000 4.513 4.144 4.955 . 0 0 "[ . 1 . 2]" 1
811 1 63 ALA H 1 65 ASP H 1.800 . 5.000 4.257 4.139 4.389 . 0 0 "[ . 1 . 2]" 1
812 1 63 ALA HA 1 66 ILE HB 1.800 . 4.500 3.370 3.021 3.749 . 0 0 "[ . 1 . 2]" 1
813 1 63 ALA HA 1 66 ILE MD 1.800 . 4.500 2.478 1.877 4.385 . 0 0 "[ . 1 . 2]" 1
814 1 64 ILE H 1 64 ILE HB 1.800 . 3.000 2.641 2.614 2.677 . 0 0 "[ . 1 . 2]" 1
815 1 64 ILE H 1 64 ILE QG 1.800 . 3.500 2.009 1.949 2.060 . 0 0 "[ . 1 . 2]" 1
816 1 64 ILE HA 1 65 ASP H 1.800 . 4.000 3.551 3.540 3.563 . 0 0 "[ . 1 . 2]" 1
817 1 64 ILE HB 1 65 ASP H 1.800 . 3.500 2.572 2.451 2.642 . 0 0 "[ . 1 . 2]" 1
818 1 64 ILE H 1 65 ASP H 1.800 . 3.300 2.682 2.636 2.772 . 0 0 "[ . 1 . 2]" 1
819 1 64 ILE HA 1 66 ILE H 1.800 . 5.000 4.292 4.041 4.463 . 0 0 "[ . 1 . 2]" 1
820 1 64 ILE HA 1 67 LEU H 1.800 . 4.500 3.363 3.286 3.452 . 0 0 "[ . 1 . 2]" 1
821 1 64 ILE HA 1 68 ASP H 1.800 . 5.000 4.076 3.515 4.467 . 0 0 "[ . 1 . 2]" 1
822 1 64 ILE MG 1 65 ASP H 1.800 . 5.000 3.556 3.455 3.636 . 0 0 "[ . 1 . 2]" 1
823 1 64 ILE H 1 65 ASP QB 1.800 . 5.500 4.473 4.342 4.821 . 0 0 "[ . 1 . 2]" 1
824 1 64 ILE H 1 66 ILE H 1.800 . 6.000 4.215 4.116 4.319 . 0 0 "[ . 1 . 2]" 1
825 1 64 ILE H 1 64 ILE MG 1.800 . 5.000 3.783 3.776 3.790 . 0 0 "[ . 1 . 2]" 1
826 1 64 ILE H 1 64 ILE MD 1.800 . 4.500 3.082 2.808 3.341 . 0 0 "[ . 1 . 2]" 1
827 1 64 ILE H 1 67 LEU H 1.800 . 6.000 4.872 4.715 5.108 . 0 0 "[ . 1 . 2]" 1
828 1 64 ILE MG 1 68 ASP H 1.800 . 6.000 3.681 3.432 4.001 . 0 0 "[ . 1 . 2]" 1
829 1 64 ILE QG 1 65 ASP H 1.800 . 5.000 3.953 3.830 4.046 . 0 0 "[ . 1 . 2]" 1
830 1 64 ILE HA 1 64 ILE QG 1.800 . 4.000 2.651 2.499 3.067 . 0 0 "[ . 1 . 2]" 1
831 1 64 ILE HA 1 64 ILE MG 1.800 . 4.000 2.328 2.249 2.396 . 0 0 "[ . 1 . 2]" 1
832 1 64 ILE HA 1 67 LEU QB 1.800 . 4.500 2.751 2.526 3.053 . 0 0 "[ . 1 . 2]" 1
833 1 64 ILE HA 1 76 LEU QD 1.800 . 6.000 3.428 2.577 4.189 . 0 0 "[ . 1 . 2]" 1
834 1 64 ILE MG 1 68 ASP QB 1.800 . 6.000 3.438 2.528 4.333 . 0 0 "[ . 1 . 2]" 1
835 1 65 ASP H 1 65 ASP QB 1.800 . 3.000 2.252 2.058 2.612 . 0 0 "[ . 1 . 2]" 1
836 1 65 ASP QB 1 66 ILE H 1.800 . 3.500 2.625 2.463 2.760 . 0 0 "[ . 1 . 2]" 1
837 1 65 ASP HA 1 66 ILE H 1.800 . 4.000 3.541 3.513 3.560 . 0 0 "[ . 1 . 2]" 1
838 1 65 ASP H 1 66 ILE H 1.800 . 3.300 2.786 2.730 2.838 . 0 0 "[ . 1 . 2]" 1
839 1 65 ASP H 1 67 LEU H 1.800 . 5.000 4.264 4.137 4.430 . 0 0 "[ . 1 . 2]" 1
840 1 65 ASP HA 1 67 LEU H 1.800 . 5.500 4.507 4.341 4.706 . 0 0 "[ . 1 . 2]" 1
841 1 65 ASP HA 1 68 ASP H 1.800 . 4.000 3.652 3.521 3.885 . 0 0 "[ . 1 . 2]" 1
842 1 65 ASP QB 1 67 LEU H 1.800 . 6.000 4.756 4.631 4.900 . 0 0 "[ . 1 . 2]" 1
843 1 65 ASP H 1 66 ILE MD 1.800 . 6.000 4.956 4.655 5.330 . 0 0 "[ . 1 . 2]" 1
844 1 65 ASP HA 1 69 ARG H 1.800 . 5.000 4.352 3.875 4.989 . 0 0 "[ . 1 . 2]" 1
845 1 65 ASP H 1 68 ASP H 1.800 . 5.500 4.855 4.704 4.973 . 0 0 "[ . 1 . 2]" 1
846 1 65 ASP H 1 66 ILE QG 1.800 . 5.500 4.160 4.026 4.315 . 0 0 "[ . 1 . 2]" 1
847 1 65 ASP HA 1 68 ASP QB 1.800 . 4.500 2.887 2.619 3.191 . 0 0 "[ . 1 . 2]" 1
848 1 66 ILE H 1 66 ILE HB 1.800 . 3.300 2.640 2.617 2.667 . 0 0 "[ . 1 . 2]" 1
849 1 66 ILE HA 1 67 LEU H 1.800 . 4.500 3.548 3.530 3.564 . 0 0 "[ . 1 . 2]" 1
850 1 66 ILE HB 1 67 LEU H 1.800 . 4.000 2.611 2.505 2.697 . 0 0 "[ . 1 . 2]" 1
851 1 66 ILE H 1 67 LEU H 1.800 . 3.300 2.640 2.577 2.708 . 0 0 "[ . 1 . 2]" 1
852 1 66 ILE H 1 68 ASP H 1.800 . 5.500 4.216 4.072 4.285 . 0 0 "[ . 1 . 2]" 1
853 1 66 ILE HA 1 68 ASP H 1.800 . 5.500 4.553 4.242 4.768 . 0 0 "[ . 1 . 2]" 1
854 1 66 ILE HA 1 69 ARG H 1.800 . 4.000 3.568 3.377 3.770 . 0 0 "[ . 1 . 2]" 1
855 1 66 ILE HA 1 70 SER H 1.800 . 5.000 4.584 3.961 5.022 0.022 16 0 "[ . 1 . 2]" 1
856 1 66 ILE H 1 66 ILE QG 1.800 . 3.500 1.986 1.925 2.026 . 0 0 "[ . 1 . 2]" 1
857 1 66 ILE H 1 66 ILE MD 1.800 . 4.000 3.275 2.911 3.560 . 0 0 "[ . 1 . 2]" 1
858 1 66 ILE QG 1 67 LEU H 1.800 . 5.000 3.930 3.794 3.997 . 0 0 "[ . 1 . 2]" 1
859 1 66 ILE MG 1 67 LEU H 1.800 . 5.000 3.604 3.488 3.700 . 0 0 "[ . 1 . 2]" 1
860 1 66 ILE HB 1 66 ILE MD 1.800 . 3.500 2.361 2.106 3.239 . 0 0 "[ . 1 . 2]" 1
861 1 66 ILE HA 1 66 ILE MD 1.800 . 6.000 3.725 2.017 3.940 . 0 0 "[ . 1 . 2]" 1
862 1 66 ILE HA 1 66 ILE QG 1.800 . 4.000 2.573 2.487 3.064 . 0 0 "[ . 1 . 2]" 1
863 1 66 ILE HA 1 69 ARG QB 1.800 . 4.000 2.851 2.276 3.829 . 0 0 "[ . 1 . 2]" 1
864 1 67 LEU H 1 67 LEU QB 1.800 . 3.300 2.257 2.121 2.580 . 0 0 "[ . 1 . 2]" 1
865 1 67 LEU H 1 67 LEU QD 1.800 . 5.000 3.416 2.772 3.727 . 0 0 "[ . 1 . 2]" 1
866 1 67 LEU H 1 67 LEU MD1 1.800 . 4.500 3.719 2.838 4.214 . 0 0 "[ . 1 . 2]" 1
867 1 67 LEU H 1 67 LEU MD2 1.800 . 5.500 4.066 3.293 4.372 . 0 0 "[ . 1 . 2]" 1
868 1 67 LEU HA 1 68 ASP H 1.800 . 4.000 3.557 3.532 3.569 . 0 0 "[ . 1 . 2]" 1
869 1 67 LEU QB 1 68 ASP H 1.800 . 4.000 2.486 2.352 2.674 . 0 0 "[ . 1 . 2]" 1
870 1 67 LEU H 1 68 ASP H 1.800 . 3.500 2.711 2.641 2.774 . 0 0 "[ . 1 . 2]" 1
871 1 67 LEU H 1 69 ARG H 1.800 . 5.000 4.115 4.019 4.249 . 0 0 "[ . 1 . 2]" 1
872 1 67 LEU QD 1 68 ASP H 1.800 . 6.000 3.752 2.505 4.091 . 0 0 "[ . 1 . 2]" 1
873 1 67 LEU MD1 1 68 ASP H 1.800 . 5.000 4.443 2.529 4.885 . 0 0 "[ . 1 . 2]" 1
874 1 67 LEU MD2 1 68 ASP H 1.800 . 6.000 4.256 2.868 4.914 . 0 0 "[ . 1 . 2]" 1
875 1 67 LEU QD 1 70 SER H 1.800 . 6.000 4.724 3.804 5.262 . 0 0 "[ . 1 . 2]" 1
876 1 67 LEU QD 1 76 LEU H 1.800 . 5.500 3.803 2.802 4.486 . 0 0 "[ . 1 . 2]" 1
877 1 67 LEU MD2 1 76 LEU H 1.800 . 5.000 4.293 2.854 4.979 . 0 0 "[ . 1 . 2]" 1
878 1 67 LEU MD1 1 76 LEU H 1.800 . 6.000 4.485 3.146 5.395 . 0 0 "[ . 1 . 2]" 1
879 1 67 LEU HA 1 70 SER H 1.800 . 5.000 3.442 3.295 3.605 . 0 0 "[ . 1 . 2]" 1
880 1 67 LEU MD2 1 75 SER H 1.800 . 5.500 3.865 2.119 5.149 . 0 0 "[ . 1 . 2]" 1
881 1 67 LEU HA 1 69 ARG H 1.800 . 4.500 4.295 4.116 4.479 . 0 0 "[ . 1 . 2]" 1
882 1 67 LEU HG 1 68 ASP H 1.800 . 4.500 4.316 3.962 4.587 0.087 20 0 "[ . 1 . 2]" 1
883 1 67 LEU HA 1 67 LEU MD2 1.800 . 4.000 3.278 2.090 3.907 . 0 0 "[ . 1 . 2]" 1
884 1 67 LEU HA 1 67 LEU MD1 1.800 . 5.000 2.834 1.988 3.954 . 0 0 "[ . 1 . 2]" 1
885 1 67 LEU QB 1 67 LEU QD 1.800 . 4.000 1.888 1.801 2.046 . 0 0 "[ . 1 . 2]" 1
886 1 67 LEU MD2 1 73 MET QB 1.800 . 5.000 3.588 1.978 4.609 . 0 0 "[ . 1 . 2]" 1
887 1 67 LEU MD1 1 73 MET QB 1.800 . 6.000 3.718 1.870 5.815 . 0 0 "[ . 1 . 2]" 1
888 1 67 LEU MD2 1 73 MET QG 1.800 . 5.000 3.652 2.075 5.018 0.018 2 0 "[ . 1 . 2]" 1
889 1 67 LEU MD2 1 74 LYS HA 1.800 . 5.500 3.846 2.280 5.497 . 0 0 "[ . 1 . 2]" 1
890 1 67 LEU QB 1 76 LEU QD 1.800 . 5.500 3.265 2.077 4.128 . 0 0 "[ . 1 . 2]" 1
891 1 67 LEU HA 1 73 MET QB 1.800 . 5.000 3.679 2.324 5.027 0.027 16 0 "[ . 1 . 2]" 1
892 1 67 LEU QD 1 75 SER HA 1.800 . 6.000 3.491 2.648 4.652 . 0 0 "[ . 1 . 2]" 1
893 1 67 LEU HA 1 70 SER QB 1.800 . 5.000 3.031 2.650 3.558 . 0 0 "[ . 1 . 2]" 1
894 1 67 LEU MD1 1 68 ASP HA 1.800 . 6.000 5.284 2.427 5.871 . 0 0 "[ . 1 . 2]" 1
895 1 68 ASP H 1 68 ASP QB 1.800 . 3.300 2.180 2.061 2.301 . 0 0 "[ . 1 . 2]" 1
896 1 68 ASP HA 1 69 ARG H 1.800 . 4.000 3.528 3.500 3.556 . 0 0 "[ . 1 . 2]" 1
897 1 68 ASP QB 1 69 ARG H 1.800 . 4.000 2.727 2.560 2.909 . 0 0 "[ . 1 . 2]" 1
898 1 68 ASP H 1 69 ARG H 1.800 . 3.500 2.708 2.578 2.812 . 0 0 "[ . 1 . 2]" 1
899 1 68 ASP H 1 70 SER H 1.800 . 4.500 4.144 4.034 4.236 . 0 0 "[ . 1 . 2]" 1
900 1 68 ASP QB 1 70 SER H 1.800 . 6.000 4.663 4.587 4.727 . 0 0 "[ . 1 . 2]" 1
901 1 69 ARG H 1 69 ARG QB 1.800 . 3.300 2.179 2.046 2.517 . 0 0 "[ . 1 . 2]" 1
902 1 69 ARG HA 1 70 SER H 1.800 . 3.500 3.512 3.495 3.521 0.021 2 0 "[ . 1 . 2]" 1
903 1 69 ARG QB 1 70 SER H 1.800 . 4.000 2.862 2.707 3.591 . 0 0 "[ . 1 . 2]" 1
904 1 69 ARG H 1 70 SER H 1.800 . 3.300 2.604 2.499 2.674 . 0 0 "[ . 1 . 2]" 1
905 1 69 ARG H 1 69 ARG QG 1.800 . 4.500 3.320 2.133 4.025 . 0 0 "[ . 1 . 2]" 1
906 1 69 ARG H 1 69 ARG QD 1.800 . 5.500 3.962 2.583 4.709 . 0 0 "[ . 1 . 2]" 1
907 1 69 ARG QD 1 70 SER H 1.800 . 6.000 4.767 3.690 5.208 . 0 0 "[ . 1 . 2]" 1
908 1 69 ARG H 1 70 SER QB 1.800 . 5.500 4.457 4.234 4.711 . 0 0 "[ . 1 . 2]" 1
909 1 69 ARG H 1 70 SER HB3 1.800 . 5.000 4.947 4.727 5.031 0.031 13 0 "[ . 1 . 2]" 1
910 1 69 ARG QB 1 69 ARG QD 1.800 . 4.000 2.139 2.008 2.379 . 0 0 "[ . 1 . 2]" 1
911 1 69 ARG QB 1 69 ARG HE 1.800 . 5.500 3.804 2.394 4.199 . 0 0 "[ . 1 . 2]" 1
912 1 70 SER H 1 70 SER QB 1.800 . 3.300 2.325 2.201 2.534 . 0 0 "[ . 1 . 2]" 1
913 1 70 SER HA 1 71 SER H 1.800 . 3.000 2.208 2.136 2.425 . 0 0 "[ . 1 . 2]" 1
914 1 70 SER QB 1 73 MET H 1.800 . 5.500 3.288 2.685 4.919 . 0 0 "[ . 1 . 2]" 1
915 1 70 SER QB 1 72 SER H 1.800 . 5.500 3.849 3.310 4.273 . 0 0 "[ . 1 . 2]" 1
916 1 70 SER H 1 71 SER H 1.800 . 5.000 4.436 3.997 4.641 . 0 0 "[ . 1 . 2]" 1
917 1 70 SER HA 1 72 SER H 1.800 . 4.500 3.849 3.436 4.432 . 0 0 "[ . 1 . 2]" 1
918 1 70 SER QB 1 73 MET QB 1.800 . 5.000 2.724 1.960 3.754 . 0 0 "[ . 1 . 2]" 1
919 1 70 SER QB 1 73 MET QG 1.800 . 6.000 4.264 3.200 5.387 . 0 0 "[ . 1 . 2]" 1
920 1 71 SER H 1 71 SER QB 1.800 . 3.500 2.497 2.093 2.829 . 0 0 "[ . 1 . 2]" 1
921 1 71 SER HA 1 72 SER H 1.800 . 4.000 3.515 3.387 3.568 . 0 0 "[ . 1 . 2]" 1
922 1 71 SER H 1 72 SER H 1.800 . 3.500 2.590 2.427 2.725 . 0 0 "[ . 1 . 2]" 1
923 1 71 SER QB 1 72 SER H 1.800 . 4.000 3.037 2.637 3.537 . 0 0 "[ . 1 . 2]" 1
924 1 72 SER HA 1 73 MET H 1.800 . 4.000 3.310 2.190 3.580 . 0 0 "[ . 1 . 2]" 1
925 1 72 SER QB 1 73 MET H 1.800 . 5.000 3.263 2.521 4.085 . 0 0 "[ . 1 . 2]" 1
926 1 72 SER H 1 73 MET H 1.800 . 3.500 2.880 2.530 3.528 0.028 5 0 "[ . 1 . 2]" 1
927 1 72 SER HG 1 73 MET H 1.800 . 4.000 3.179 2.310 4.061 0.061 5 0 "[ . 1 . 2]" 1
928 1 72 SER H 1 73 MET QB 1.800 . 6.000 4.359 3.550 4.715 . 0 0 "[ . 1 . 2]" 1
929 1 72 SER H 1 72 SER HG 1.800 . 4.000 2.853 2.123 4.059 0.059 12 0 "[ . 1 . 2]" 1
930 1 73 MET H 1 73 MET QG 1.800 . 4.500 3.821 2.730 4.270 . 0 0 "[ . 1 . 2]" 1
931 1 73 MET QG 1 75 SER H 1.800 . 5.500 4.207 2.459 5.520 0.020 16 0 "[ . 1 . 2]" 1
932 1 73 MET QB 1 75 SER H 1.800 . 6.000 4.750 3.246 6.005 0.005 1 0 "[ . 1 . 2]" 1
933 1 73 MET HA 1 74 LYS H 1.800 . 3.000 2.296 2.132 2.934 . 0 0 "[ . 1 . 2]" 1
934 1 73 MET QG 1 74 LYS H 1.800 . 5.000 3.310 2.011 4.457 . 0 0 "[ . 1 . 2]" 1
935 1 73 MET HA 1 73 MET QG 1.800 . 4.000 2.270 2.034 3.337 . 0 0 "[ . 1 . 2]" 1
936 1 73 MET HA 1 74 LYS QG 1.800 . 5.000 4.008 3.237 4.995 . 0 0 "[ . 1 . 2]" 1
937 1 74 LYS HA 1 75 SER H 1.800 . 4.000 3.357 2.282 3.581 . 0 0 "[ . 1 . 2]" 1
938 1 74 LYS QB 1 75 SER H 1.800 . 4.500 3.130 2.039 4.055 . 0 0 "[ . 1 . 2]" 1
939 1 74 LYS QD 1 75 SER H 1.800 . 5.500 4.278 2.189 5.500 . 0 0 "[ . 1 . 2]" 1
940 1 74 LYS H 1 75 SER H 1.800 . 4.000 2.328 1.939 3.687 . 0 0 "[ . 1 . 2]" 1
941 1 74 LYS HA 1 74 LYS QG 1.800 . 4.000 2.957 2.201 3.413 . 0 0 "[ . 1 . 2]" 1
942 1 74 LYS QB 1 74 LYS QD 1.800 . 4.500 2.069 1.908 2.256 . 0 0 "[ . 1 . 2]" 1
943 1 74 LYS HA 1 74 LYS QD 1.800 . 5.500 3.997 2.916 4.411 . 0 0 "[ . 1 . 2]" 1
944 1 74 LYS QE 1 74 LYS QG 1.800 . 5.000 2.175 1.993 2.442 . 0 0 "[ . 1 . 2]" 1
945 1 75 SER HA 1 76 LEU H 1.800 . 3.500 2.465 2.280 2.694 . 0 0 "[ . 1 . 2]" 1
946 1 75 SER QB 1 76 LEU H 1.800 . 4.000 2.496 2.112 2.927 . 0 0 "[ . 1 . 2]" 1
947 1 75 SER H 1 76 LEU H 1.800 . 5.000 4.521 4.379 4.628 . 0 0 "[ . 1 . 2]" 1
948 1 76 LEU H 1 76 LEU QB 1.800 . 3.500 2.354 2.159 3.092 . 0 0 "[ . 1 . 2]" 1
949 1 76 LEU HA 1 77 ARG H 1.800 . 3.000 2.161 2.139 2.203 . 0 0 "[ . 1 . 2]" 1
950 1 76 LEU QB 1 77 ARG H 1.800 . 4.500 3.305 2.954 3.529 . 0 0 "[ . 1 . 2]" 1
951 1 76 LEU QD 1 77 ARG H 1.800 . 6.000 3.605 2.567 4.373 . 0 0 "[ . 1 . 2]" 1
952 1 76 LEU H 1 77 ARG H 1.800 . 4.500 4.425 4.298 4.513 0.013 6 0 "[ . 1 . 2]" 1
953 1 76 LEU HA 1 76 LEU QD 1.800 . 4.500 2.631 1.909 3.259 . 0 0 "[ . 1 . 2]" 1
954 1 76 LEU HG 1 78 ILE QG 1.800 . 5.000 4.486 3.619 4.993 . 0 0 "[ . 1 . 2]" 1
955 1 77 ARG H 1 77 ARG QB 1.800 . 3.500 2.354 2.170 2.886 . 0 0 "[ . 1 . 2]" 1
956 1 77 ARG H 1 77 ARG QD 1.800 . 6.000 4.109 2.218 4.686 . 0 0 "[ . 1 . 2]" 1
957 1 77 ARG HA 1 78 ILE H 1.800 . 3.000 2.291 2.134 2.391 . 0 0 "[ . 1 . 2]" 1
958 1 77 ARG QB 1 78 ILE H 1.800 . 5.000 3.864 3.313 4.052 . 0 0 "[ . 1 . 2]" 1
959 1 77 ARG H 1 78 ILE H 1.800 . 4.500 3.987 3.766 4.398 . 0 0 "[ . 1 . 2]" 1
960 1 77 ARG H 1 77 ARG QG 1.800 . 4.000 3.246 1.960 4.026 0.026 18 0 "[ . 1 . 2]" 1
961 1 77 ARG HA 1 77 ARG QD 1.800 . 6.000 3.631 2.028 4.514 . 0 0 "[ . 1 . 2]" 1
962 1 77 ARG QB 1 77 ARG QD 1.800 . 4.000 2.137 1.917 2.351 . 0 0 "[ . 1 . 2]" 1
963 1 78 ILE H 1 78 ILE HB 1.800 . 3.500 2.697 2.634 2.841 . 0 0 "[ . 1 . 2]" 1
964 1 78 ILE H 1 78 ILE MD 1.800 . 6.000 3.663 2.856 4.055 . 0 0 "[ . 1 . 2]" 1
965 1 78 ILE H 1 79 LEU H 1.800 . 5.500 4.367 4.204 4.485 . 0 0 "[ . 1 . 2]" 1
966 1 78 ILE HA 1 79 LEU H 1.800 . 3.000 2.155 2.137 2.183 . 0 0 "[ . 1 . 2]" 1
967 1 78 ILE MG 1 79 LEU H 1.800 . 4.500 2.655 2.336 2.989 . 0 0 "[ . 1 . 2]" 1
968 1 78 ILE MG 1 80 LEU H 1.800 . 5.500 4.248 4.060 4.530 . 0 0 "[ . 1 . 2]" 1
969 1 78 ILE H 1 78 ILE MG 1.800 . 5.500 3.873 3.845 3.936 . 0 0 "[ . 1 . 2]" 1
970 1 78 ILE H 1 78 ILE QG 1.800 . 4.000 2.478 2.316 2.691 . 0 0 "[ . 1 . 2]" 1
971 1 78 ILE HA 1 78 ILE MG 1.800 . 4.000 2.274 2.191 2.382 . 0 0 "[ . 1 . 2]" 1
972 1 78 ILE MG 1 80 LEU HA 1.800 . 5.500 4.295 4.143 4.554 . 0 0 "[ . 1 . 2]" 1
973 1 79 LEU H 1 79 LEU QB 1.800 . 3.500 2.468 2.228 2.932 . 0 0 "[ . 1 . 2]" 1
974 1 79 LEU H 1 79 LEU QD 1.800 . 5.000 3.467 2.256 3.879 . 0 0 "[ . 1 . 2]" 1
975 1 79 LEU H 1 79 LEU MD1 1.800 . 4.500 4.081 2.782 4.472 . 0 0 "[ . 1 . 2]" 1
976 1 79 LEU H 1 79 LEU MD2 1.800 . 6.000 3.916 2.273 4.532 . 0 0 "[ . 1 . 2]" 1
977 1 79 LEU HA 1 80 LEU H 1.800 . 3.000 2.155 2.132 2.174 . 0 0 "[ . 1 . 2]" 1
978 1 79 LEU QB 1 80 LEU H 1.800 . 4.500 3.648 3.077 3.860 . 0 0 "[ . 1 . 2]" 1
979 1 79 LEU H 1 80 LEU H 1.800 . 5.000 4.360 4.280 4.459 . 0 0 "[ . 1 . 2]" 1
980 1 79 LEU HA 1 79 LEU QD 1.800 . 5.000 2.718 1.946 3.421 . 0 0 "[ . 1 . 2]" 1
981 1 79 LEU HA 1 79 LEU HG 1.800 . 4.000 2.764 2.210 3.679 . 0 0 "[ . 1 . 2]" 1
982 1 80 LEU H 1 80 LEU HG 1.800 . 4.000 2.011 1.911 2.162 . 0 0 "[ . 1 . 2]" 1
983 1 80 LEU HA 1 81 LEU H 1.800 . 3.000 2.166 2.139 2.189 . 0 0 "[ . 1 . 2]" 1
984 1 80 LEU QB 1 81 LEU H 1.800 . 4.000 3.063 2.976 3.199 . 0 0 "[ . 1 . 2]" 1
985 1 80 LEU HG 1 81 LEU H 1.800 . 5.000 4.808 4.668 4.995 . 0 0 "[ . 1 . 2]" 1
986 1 80 LEU H 1 81 LEU H 1.800 . 5.000 4.453 4.407 4.506 . 0 0 "[ . 1 . 2]" 1
987 1 80 LEU H 1 80 LEU QB 1.800 . 4.000 2.924 2.784 3.030 . 0 0 "[ . 1 . 2]" 1
988 1 80 LEU H 1 80 LEU MD1 1.800 . 5.000 3.502 3.047 3.738 . 0 0 "[ . 1 . 2]" 1
989 1 80 LEU HA 1 80 LEU HG 1.800 . 4.000 3.646 3.624 3.662 . 0 0 "[ . 1 . 2]" 1
990 1 80 LEU HA 1 80 LEU MD2 1.800 . 4.000 3.930 3.544 4.027 0.027 9 0 "[ . 1 . 2]" 1
991 1 81 LEU H 1 81 LEU QB 1.800 . 4.000 2.805 2.421 3.221 . 0 0 "[ . 1 . 2]" 1
992 1 81 LEU H 1 81 LEU MD2 1.800 . 5.500 4.021 3.123 4.511 . 0 0 "[ . 1 . 2]" 1
993 1 81 LEU H 1 81 LEU HG 1.800 . 4.000 2.910 2.024 3.994 . 0 0 "[ . 1 . 2]" 1
994 1 81 LEU HA 1 82 SER H 1.800 . 3.000 2.277 2.140 2.384 . 0 0 "[ . 1 . 2]" 1
995 1 81 LEU QB 1 82 SER H 1.800 . 4.000 2.725 2.377 3.320 . 0 0 "[ . 1 . 2]" 1
996 1 81 LEU MD1 1 82 SER H 1.800 . 5.000 4.497 3.066 5.016 0.016 19 0 "[ . 1 . 2]" 1
997 1 81 LEU HG 1 82 SER H 1.800 . 5.000 4.613 4.102 4.995 . 0 0 "[ . 1 . 2]" 1
998 1 81 LEU HA 1 81 LEU QD 1.800 . 4.500 3.113 2.301 3.449 . 0 0 "[ . 1 . 2]" 1
999 1 81 LEU HA 1 81 LEU MD1 1.800 . 4.000 3.647 3.124 4.000 0.000 16 0 "[ . 1 . 2]" 1
1000 1 81 LEU HA 1 81 LEU MD2 1.800 . 5.000 3.498 2.316 4.088 . 0 0 "[ . 1 . 2]" 1
1001 1 81 LEU HA 1 81 LEU HG 1.800 . 4.000 2.959 2.269 3.680 . 0 0 "[ . 1 . 2]" 1
1002 1 81 LEU QB 1 81 LEU MD2 1.800 . 4.000 2.031 1.937 2.215 . 0 0 "[ . 1 . 2]" 1
1003 1 81 LEU QB 1 83 GLN QE 1.800 . 6.000 5.601 4.890 5.998 . 0 0 "[ . 1 . 2]" 1
1004 1 82 SER HA 1 83 GLN H 1.800 . 3.000 2.223 2.160 2.275 . 0 0 "[ . 1 . 2]" 1
1005 1 82 SER QB 1 83 GLN H 1.800 . 4.500 3.177 2.803 3.659 . 0 0 "[ . 1 . 2]" 1
1006 1 82 SER QB 1 84 ASP H 1.800 . 6.000 2.576 2.176 3.297 . 0 0 "[ . 1 . 2]" 1
1007 1 82 SER HA 1 84 ASP H 1.800 . 4.500 3.734 3.574 3.820 . 0 0 "[ . 1 . 2]" 1
1008 1 83 GLN H 1 83 GLN QG 1.800 . 4.500 3.402 2.048 4.123 . 0 0 "[ . 1 . 2]" 1
1009 1 83 GLN HA 1 84 ASP H 1.800 . 3.000 3.169 3.148 3.184 0.184 1 0 "[ . 1 . 2]" 1
1010 1 83 GLN QG 1 84 ASP H 1.800 . 5.000 4.187 3.030 4.814 . 0 0 "[ . 1 . 2]" 1
1011 1 83 GLN H 1 84 ASP H 1.800 . 4.000 2.572 2.490 2.692 . 0 0 "[ . 1 . 2]" 1
1012 1 83 GLN QE 1 84 ASP HA 1.800 . 6.000 5.749 4.933 6.057 0.057 18 0 "[ . 1 . 2]" 1
1013 1 83 GLN QB 1 84 ASP H 1.800 . 5.000 3.609 3.469 3.932 . 0 0 "[ . 1 . 2]" 1
1014 1 83 GLN QG 1 85 ARG H 1.800 . 7.000 5.461 2.618 6.884 . 0 0 "[ . 1 . 2]" 1
1015 1 83 GLN HA 1 83 GLN QG 1.800 . 4.000 2.719 2.174 3.366 . 0 0 "[ . 1 . 2]" 1
1016 1 84 ASP H 1 84 ASP QB 1.800 . 3.500 2.543 2.134 3.201 . 0 0 "[ . 1 . 2]" 1
1017 1 84 ASP HA 1 85 ARG H 1.800 . 3.000 2.426 2.137 2.989 . 0 0 "[ . 1 . 2]" 1
1018 1 84 ASP QB 1 85 ARG H 1.800 . 5.000 3.516 2.187 4.011 . 0 0 "[ . 1 . 2]" 1
1019 1 84 ASP H 1 85 ARG H 1.800 . 4.500 3.840 2.188 4.525 0.025 2 0 "[ . 1 . 2]" 1
1020 1 85 ARG H 1 85 ARG QG 1.800 . 4.000 3.189 2.145 4.032 0.032 12 0 "[ . 1 . 2]" 1
1021 1 85 ARG QB 1 86 ASN H 1.800 . 5.000 3.573 2.476 4.040 . 0 0 "[ . 1 . 2]" 1
1022 1 85 ARG H 1 85 ARG QD 1.800 . 6.000 4.389 2.487 5.114 . 0 0 "[ . 1 . 2]" 1
1023 1 85 ARG H 1 86 ASN H 1.800 . 4.000 3.213 2.070 4.011 0.011 6 0 "[ . 1 . 2]" 1
1024 1 85 ARG HA 1 86 ASN H 1.800 . 3.500 2.608 2.136 3.542 0.042 14 0 "[ . 1 . 2]" 1
1025 1 85 ARG QG 1 86 ASN H 1.800 . 5.000 4.177 3.484 4.612 . 0 0 "[ . 1 . 2]" 1
1026 1 85 ARG HA 1 85 ARG QD 1.800 . 5.000 3.780 2.249 4.577 . 0 0 "[ . 1 . 2]" 1
1027 1 85 ARG HA 1 85 ARG QG 1.800 . 4.000 2.465 2.053 3.356 . 0 0 "[ . 1 . 2]" 1
1028 1 86 ASN HA 1 86 ASN QD 1.800 . 6.000 3.214 2.114 4.301 . 0 0 "[ . 1 . 2]" 1
1029 1 86 ASN H 1 86 ASN QD 1.800 . 6.000 4.130 2.591 5.019 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.367
_Distance_constraint_stats_list.Viol_max 0.018
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0184
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 HIS 0.018 0.018 6 0 "[ . 1 . 2]"
1 14 GLU 0.018 0.018 6 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 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 7 ILE H 1 18 ILE O 2.000 . 2.700 2.004 1.731 2.396 . 0 0 "[ . 1 . 2]" 2
2 1 7 ILE N 1 18 ILE O 3.000 2.400 3.700 2.959 2.711 3.319 . 0 0 "[ . 1 . 2]" 2
3 1 8 LYS H 1 76 LEU O 2.000 . 2.700 2.353 1.842 2.665 . 0 0 "[ . 1 . 2]" 2
4 1 8 LYS N 1 76 LEU O 3.000 2.400 3.700 3.182 2.763 3.503 . 0 0 "[ . 1 . 2]" 2
5 1 9 PHE H 1 16 ARG O 2.000 . 2.700 2.026 1.755 2.218 . 0 0 "[ . 1 . 2]" 2
6 1 9 PHE N 1 16 ARG O 3.000 2.400 3.700 2.974 2.719 3.171 . 0 0 "[ . 1 . 2]" 2
7 1 11 HIS O 1 14 GLU H 2.000 . 2.700 2.328 1.931 2.718 0.018 6 0 "[ . 1 . 2]" 2
8 1 11 HIS O 1 14 GLU N 3.000 2.400 3.700 3.060 2.860 3.324 . 0 0 "[ . 1 . 2]" 2
9 1 7 ILE O 1 18 ILE H 2.000 . 2.700 2.203 1.803 2.583 . 0 0 "[ . 1 . 2]" 2
10 1 7 ILE O 1 18 ILE N 3.000 2.400 3.700 3.159 2.777 3.555 . 0 0 "[ . 1 . 2]" 2
11 1 5 VAL O 1 20 PHE H 2.000 . 2.700 2.067 1.794 2.456 . 0 0 "[ . 1 . 2]" 2
12 1 5 VAL O 1 20 PHE N 3.000 2.400 3.700 2.955 2.741 3.196 . 0 0 "[ . 1 . 2]" 2
13 1 28 ASP O 1 32 LYS H 2.000 . 2.700 2.289 2.012 2.448 . 0 0 "[ . 1 . 2]" 2
14 1 28 ASP O 1 32 LYS N 3.000 2.400 3.700 3.211 2.942 3.348 . 0 0 "[ . 1 . 2]" 2
15 1 29 VAL O 1 33 VAL H 2.000 . 2.700 1.998 1.760 2.360 . 0 0 "[ . 1 . 2]" 2
16 1 29 VAL O 1 33 VAL N 3.000 2.400 3.700 2.972 2.737 3.315 . 0 0 "[ . 1 . 2]" 2
17 1 32 LYS O 1 36 VAL H 2.000 . 2.700 2.031 1.777 2.337 . 0 0 "[ . 1 . 2]" 2
18 1 32 LYS O 1 36 VAL N 3.000 2.400 3.700 2.953 2.740 3.162 . 0 0 "[ . 1 . 2]" 2
19 1 56 ASN O 1 60 LEU H 2.000 . 2.700 2.489 2.043 2.693 . 0 0 "[ . 1 . 2]" 2
20 1 56 ASN O 1 60 LEU N 3.000 2.400 3.700 3.422 3.001 3.626 . 0 0 "[ . 1 . 2]" 2
21 1 57 GLN O 1 61 ASP H 2.000 . 2.700 1.888 1.683 2.154 . 0 0 "[ . 1 . 2]" 2
22 1 57 GLN O 1 61 ASP N 3.000 2.400 3.700 2.825 2.619 3.083 . 0 0 "[ . 1 . 2]" 2
23 1 58 ASP O 1 62 LYS H 2.000 . 2.700 2.112 1.816 2.289 . 0 0 "[ . 1 . 2]" 2
24 1 58 ASP O 1 62 LYS N 3.000 2.400 3.700 3.027 2.731 3.232 . 0 0 "[ . 1 . 2]" 2
25 1 59 ASP O 1 63 ALA H 2.000 . 2.700 2.270 2.027 2.416 . 0 0 "[ . 1 . 2]" 2
26 1 59 ASP O 1 63 ALA N 3.000 2.400 3.700 3.144 2.930 3.305 . 0 0 "[ . 1 . 2]" 2
27 1 60 LEU O 1 64 ILE H 2.000 . 2.700 2.373 1.948 2.628 . 0 0 "[ . 1 . 2]" 2
28 1 60 LEU O 1 64 ILE N 3.000 2.400 3.700 3.261 2.900 3.505 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 7:02:20 PM GMT (wattos1)