Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
596274 | 2n7s RC | 25819 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n7s
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 633
_Distance_constraint_stats_list.Viol_count 1074
_Distance_constraint_stats_list.Viol_total 778.045
_Distance_constraint_stats_list.Viol_max 0.325
_Distance_constraint_stats_list.Viol_rms 0.0149
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0362
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.141 0.041 15 0 "[ . 1 . 2]"
1 4 ALA 0.002 0.002 9 0 "[ . 1 . 2]"
1 5 LEU 0.662 0.072 13 0 "[ . 1 . 2]"
1 6 VAL 0.464 0.068 17 0 "[ . 1 . 2]"
1 7 SER 1.625 0.193 15 0 "[ . 1 . 2]"
1 8 ILE 0.919 0.127 16 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.276 0.064 15 0 "[ . 1 . 2]"
1 11 SER 0.990 0.117 14 0 "[ . 1 . 2]"
1 12 PRO 0.110 0.047 17 0 "[ . 1 . 2]"
1 13 THR 0.150 0.036 12 0 "[ . 1 . 2]"
1 14 ASN 1.478 0.101 15 0 "[ . 1 . 2]"
1 15 SER 0.362 0.061 18 0 "[ . 1 . 2]"
1 16 THR 1.022 0.139 15 0 "[ . 1 . 2]"
1 17 VAL 0.003 0.003 17 0 "[ . 1 . 2]"
1 18 ALA 0.010 0.006 17 0 "[ . 1 . 2]"
1 19 LYS 0.254 0.040 7 0 "[ . 1 . 2]"
1 20 GLY 0.126 0.025 4 0 "[ . 1 . 2]"
1 21 LEU 0.432 0.039 16 0 "[ . 1 . 2]"
1 22 GLN 0.059 0.017 20 0 "[ . 1 . 2]"
1 23 GLU 0.091 0.045 8 0 "[ . 1 . 2]"
1 24 ASN 0.660 0.075 14 0 "[ . 1 . 2]"
1 25 PHE 1.341 0.135 8 0 "[ . 1 . 2]"
1 26 LYS 0.599 0.117 14 0 "[ . 1 . 2]"
1 27 ALA 0.636 0.070 6 0 "[ . 1 . 2]"
1 28 THR 0.461 0.127 16 0 "[ . 1 . 2]"
1 29 GLY 1.871 0.212 13 0 "[ . 1 . 2]"
1 30 ILE 3.407 0.155 1 0 "[ . 1 . 2]"
1 31 PHE 0.795 0.325 13 0 "[ . 1 . 2]"
1 32 THR 0.680 0.066 4 0 "[ . 1 . 2]"
1 33 ASP 0.025 0.013 13 0 "[ . 1 . 2]"
1 34 ASN 0.759 0.325 13 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 0.624 0.058 8 0 "[ . 1 . 2]"
1 37 SER 0.286 0.085 13 0 "[ . 1 . 2]"
1 38 ASP 3.345 0.212 13 0 "[ . 1 . 2]"
1 39 ILE 2.419 0.113 1 0 "[ . 1 . 2]"
1 40 THR 0.109 0.067 13 0 "[ . 1 . 2]"
1 41 ASP 1.150 0.165 8 0 "[ . 1 . 2]"
1 42 GLN 0.576 0.088 6 0 "[ . 1 . 2]"
1 43 VAL 0.159 0.062 17 0 "[ . 1 . 2]"
1 44 THR 3.079 0.233 4 0 "[ . 1 . 2]"
1 45 TRP 0.803 0.120 20 0 "[ . 1 . 2]"
1 46 ASP 0.198 0.041 15 0 "[ . 1 . 2]"
1 47 SER 0.501 0.056 5 0 "[ . 1 . 2]"
1 48 SER 0.358 0.127 20 0 "[ . 1 . 2]"
1 49 ASN 0.581 0.069 7 0 "[ . 1 . 2]"
1 50 THR 0.211 0.089 5 0 "[ . 1 . 2]"
1 51 ASP 1.188 0.114 18 0 "[ . 1 . 2]"
1 52 ILE 1.067 0.156 7 0 "[ . 1 . 2]"
1 53 LEU 1.784 0.194 20 0 "[ . 1 . 2]"
1 54 SER 0.038 0.024 5 0 "[ . 1 . 2]"
1 55 ILE 1.038 0.120 20 0 "[ . 1 . 2]"
1 56 SER 0.354 0.136 5 0 "[ . 1 . 2]"
1 57 ASN 1.096 0.100 14 0 "[ . 1 . 2]"
1 58 ALA 2.444 0.198 20 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.292 0.097 2 0 "[ . 1 . 2]"
1 61 SER 2.179 0.198 20 0 "[ . 1 . 2]"
1 62 HIS 0.180 0.099 19 0 "[ . 1 . 2]"
1 63 GLY 0.638 0.128 8 0 "[ . 1 . 2]"
1 64 LEU 2.149 0.136 5 0 "[ . 1 . 2]"
1 65 ALA 0.540 0.075 14 0 "[ . 1 . 2]"
1 66 SER 0.171 0.057 11 0 "[ . 1 . 2]"
1 67 THR 0.552 0.039 16 0 "[ . 1 . 2]"
1 68 LEU 1.320 0.194 20 0 "[ . 1 . 2]"
1 69 ASN 0.504 0.142 5 0 "[ . 1 . 2]"
1 70 GLN 0.179 0.048 14 0 "[ . 1 . 2]"
1 71 GLY 1.880 0.114 18 0 "[ . 1 . 2]"
1 72 ASN 2.284 0.207 14 0 "[ . 1 . 2]"
1 73 VAL 0.783 0.222 9 0 "[ . 1 . 2]"
1 74 LYS 0.281 0.070 4 0 "[ . 1 . 2]"
1 75 VAL 0.565 0.072 9 0 "[ . 1 . 2]"
1 76 THR 0.407 0.051 13 0 "[ . 1 . 2]"
1 77 ALA 0.997 0.095 18 0 "[ . 1 . 2]"
1 78 SER 0.743 0.059 20 0 "[ . 1 . 2]"
1 79 ILE 2.335 0.233 4 0 "[ . 1 . 2]"
1 80 GLY 0.449 0.076 15 0 "[ . 1 . 2]"
1 81 GLY 2.129 0.297 19 0 "[ . 1 . 2]"
1 82 ILE 3.082 0.297 19 0 "[ . 1 . 2]"
1 83 GLN 1.421 0.095 18 0 "[ . 1 . 2]"
1 84 GLY 0.225 0.051 13 0 "[ . 1 . 2]"
1 85 SER 0.153 0.028 19 0 "[ . 1 . 2]"
1 86 THR 0.239 0.036 12 0 "[ . 1 . 2]"
1 87 ASP 1.536 0.101 15 0 "[ . 1 . 2]"
1 88 PHE 3.211 0.207 14 0 "[ . 1 . 2]"
1 89 LYS 1.650 0.222 9 0 "[ . 1 . 2]"
1 90 VAL 0.278 0.048 14 0 "[ . 1 . 2]"
1 91 THR 0.617 0.113 5 0 "[ . 1 . 2]"
1 92 GLN 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 2 PRO HB2 1 3 ALA H 1.800 . 6.000 3.026 2.838 3.290 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 ALA H 1.800 . 4.000 2.258 2.189 2.316 . 0 0 "[ . 1 . 2]" 1
3 1 3 ALA HA 1 32 THR MG 1.800 . 5.000 3.991 2.750 5.041 0.041 15 0 "[ . 1 . 2]" 1
4 1 3 ALA MB 1 4 ALA H 1.800 . 5.300 2.882 2.053 3.601 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA HA 1 4 ALA H 1.800 . 3.800 2.275 2.142 2.564 . 0 0 "[ . 1 . 2]" 1
6 1 4 ALA H 1 5 LEU HA 1.800 . 6.200 5.097 4.896 5.567 . 0 0 "[ . 1 . 2]" 1
7 1 4 ALA H 1 32 THR H 1.800 . 5.000 2.676 1.894 3.510 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA H 1 31 PHE HB3 1.800 . 6.000 3.296 2.472 4.255 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA H 1 31 PHE HB2 1.800 . 6.000 5.035 4.226 6.002 0.002 9 0 "[ . 1 . 2]" 1
10 1 4 ALA H 1 32 THR MG 1.800 . 4.500 2.994 1.849 4.355 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA H 1 32 THR HB 1.800 . 4.900 3.580 2.673 4.619 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA H 1 31 PHE HA 1.800 . 6.500 4.241 3.526 4.909 . 0 0 "[ . 1 . 2]" 1
13 1 4 ALA MB 1 5 LEU H 1.800 . 5.300 2.915 2.765 3.229 . 0 0 "[ . 1 . 2]" 1
14 1 4 ALA HA 1 5 LEU H 1.800 . 3.800 2.218 2.144 2.251 . 0 0 "[ . 1 . 2]" 1
15 1 4 ALA H 1 5 LEU H 1.800 . 6.200 4.406 4.257 4.589 . 0 0 "[ . 1 . 2]" 1
16 1 5 LEU H 1 5 LEU MD2 1.800 . 6.300 3.045 1.896 4.456 . 0 0 "[ . 1 . 2]" 1
17 1 5 LEU H 1 32 THR H 1.800 . 4.900 4.914 4.846 4.943 0.043 17 0 "[ . 1 . 2]" 1
18 1 5 LEU H 1 6 VAL H 1.800 . 6.300 4.636 4.576 4.648 . 0 0 "[ . 1 . 2]" 1
19 1 5 LEU H 1 31 PHE HA 1.800 . 5.900 4.690 4.391 5.242 . 0 0 "[ . 1 . 2]" 1
20 1 5 LEU H 1 31 PHE HB3 1.800 . 5.900 5.675 4.982 5.972 0.072 13 0 "[ . 1 . 2]" 1
21 1 5 LEU HA 1 6 VAL H 1.800 . 4.800 2.342 2.203 2.595 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL H 1 6 VAL MG1 1.800 . 6.300 3.921 3.876 3.947 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL HB 1 7 SER H 1.800 . 5.400 2.196 1.944 2.707 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL HA 1 7 SER H 1.800 . 3.800 3.562 3.529 3.571 . 0 0 "[ . 1 . 2]" 1
25 1 6 VAL H 1 7 SER H 1.800 . 6.000 2.320 1.846 2.665 . 0 0 "[ . 1 . 2]" 1
26 1 6 VAL MG1 1 7 SER H 1.800 . 6.000 3.014 2.632 3.386 . 0 0 "[ . 1 . 2]" 1
27 1 7 SER H 1 31 PHE HA 1.800 . 4.600 4.566 4.126 4.653 0.053 19 0 "[ . 1 . 2]" 1
28 1 7 SER H 1 30 ILE HB 1.800 . 5.100 2.260 1.920 3.002 . 0 0 "[ . 1 . 2]" 1
29 1 7 SER H 1 30 ILE H 1.800 . 3.900 3.443 3.115 3.737 . 0 0 "[ . 1 . 2]" 1
30 1 7 SER H 1 82 ILE H 1.800 . 5.900 5.922 5.816 6.093 0.193 15 0 "[ . 1 . 2]" 1
31 1 7 SER HA 1 8 ILE H 1.800 . 4.100 2.487 2.417 2.578 . 0 0 "[ . 1 . 2]" 1
32 1 7 SER HB2 1 8 ILE H 1.800 . 5.600 3.184 2.471 3.899 . 0 0 "[ . 1 . 2]" 1
33 1 7 SER HB3 1 8 ILE H 1.800 . 5.600 2.444 2.216 3.115 . 0 0 "[ . 1 . 2]" 1
34 1 8 ILE H 1 82 ILE MD 1.800 . 4.600 4.061 1.855 4.679 0.079 18 0 "[ . 1 . 2]" 1
35 1 8 ILE H 1 82 ILE HG12 1.800 . 4.600 4.088 3.641 4.646 0.046 13 0 "[ . 1 . 2]" 1
36 1 8 ILE MD 1 79 ILE MG 1.800 . 4.600 2.650 1.815 3.925 . 0 0 "[ . 1 . 2]" 1
37 1 8 ILE HB 1 9 SER H 1.800 . 5.300 2.811 2.595 4.013 . 0 0 "[ . 1 . 2]" 1
38 1 8 ILE HA 1 9 SER H 1.800 . 3.800 2.292 2.188 2.330 . 0 0 "[ . 1 . 2]" 1
39 1 8 ILE MG 1 9 SER H 1.800 . 6.300 3.907 3.737 4.016 . 0 0 "[ . 1 . 2]" 1
40 1 9 SER H 1 29 GLY H 1.800 . 6.300 4.903 4.734 5.296 . 0 0 "[ . 1 . 2]" 1
41 1 9 SER H 1 28 THR H 1.800 . 4.100 2.709 2.600 3.023 . 0 0 "[ . 1 . 2]" 1
42 1 9 SER H 1 28 THR HA 1.800 . 6.100 4.487 4.230 4.872 . 0 0 "[ . 1 . 2]" 1
43 1 9 SER H 1 28 THR MG 1.800 . 5.000 4.361 3.837 4.734 . 0 0 "[ . 1 . 2]" 1
44 1 9 SER H 1 30 ILE MD 1.800 . 5.600 3.520 2.691 4.287 . 0 0 "[ . 1 . 2]" 1
45 1 9 SER HB2 1 10 VAL H 1.800 . 5.700 4.411 3.882 4.625 . 0 0 "[ . 1 . 2]" 1
46 1 9 SER HA 1 10 VAL H 1.800 . 3.800 2.152 2.148 2.162 . 0 0 "[ . 1 . 2]" 1
47 1 10 VAL H 1 10 VAL MG2 1.800 . 6.300 1.985 1.917 2.517 . 0 0 "[ . 1 . 2]" 1
48 1 10 VAL H 1 11 SER H 1.800 . 5.900 4.414 4.406 4.441 . 0 0 "[ . 1 . 2]" 1
49 1 10 VAL H 1 27 ALA HA 1.800 . 5.900 5.023 4.858 5.221 . 0 0 "[ . 1 . 2]" 1
50 1 10 VAL HA 1 11 SER H 1.800 . 3.900 2.179 2.170 2.185 . 0 0 "[ . 1 . 2]" 1
51 1 10 VAL HB 1 11 SER H 1.800 . 5.400 3.134 3.070 3.975 . 0 0 "[ . 1 . 2]" 1
52 1 10 VAL MG2 1 11 SER H 1.800 . 5.300 4.014 3.874 4.102 . 0 0 "[ . 1 . 2]" 1
53 1 10 VAL MG1 1 11 SER H 1.800 . 6.300 3.681 2.147 3.942 . 0 0 "[ . 1 . 2]" 1
54 1 11 SER H 1 27 ALA HA 1.800 . 4.300 4.291 4.080 4.348 0.048 4 0 "[ . 1 . 2]" 1
55 1 11 SER H 1 26 LYS HA 1.800 . 6.300 5.931 5.793 6.054 . 0 0 "[ . 1 . 2]" 1
56 1 11 SER H 1 26 LYS H 1.800 . 3.900 3.927 3.839 4.017 0.117 14 0 "[ . 1 . 2]" 1
57 1 11 SER H 1 27 ALA H 1.800 . 6.200 6.031 5.922 6.192 . 0 0 "[ . 1 . 2]" 1
58 1 12 PRO HA 1 25 PHE HB3 1.800 . 6.200 5.753 4.173 6.247 0.047 17 0 "[ . 1 . 2]" 1
59 1 13 THR H 1 86 THR HB 1.800 . 4.900 4.325 4.211 4.502 . 0 0 "[ . 1 . 2]" 1
60 1 13 THR H 1 86 THR HA 1.800 . 5.900 5.230 3.904 5.913 0.013 5 0 "[ . 1 . 2]" 1
61 1 13 THR HA 1 14 ASN H 1.800 . 3.800 2.147 2.146 2.149 . 0 0 "[ . 1 . 2]" 1
62 1 13 THR HB 1 14 ASN H 1.800 . 5.400 4.335 4.250 4.373 . 0 0 "[ . 1 . 2]" 1
63 1 13 THR MG 1 14 ASN H 1.800 . 6.300 2.854 2.760 3.006 . 0 0 "[ . 1 . 2]" 1
64 1 14 ASN H 1 87 ASP H 1.800 . 4.900 4.880 4.769 4.950 0.050 14 0 "[ . 1 . 2]" 1
65 1 14 ASN H 1 87 ASP HB3 1.800 . 5.900 5.943 5.911 6.001 0.101 15 0 "[ . 1 . 2]" 1
66 1 14 ASN H 1 86 THR HA 1.800 . 5.900 5.572 5.382 5.732 . 0 0 "[ . 1 . 2]" 1
67 1 14 ASN HB2 1 15 SER H 1.800 . 5.100 4.111 2.331 4.452 . 0 0 "[ . 1 . 2]" 1
68 1 14 ASN HA 1 15 SER H 1.800 . 3.800 2.401 2.143 2.877 . 0 0 "[ . 1 . 2]" 1
69 1 15 SER H 1 87 ASP H 1.800 . 4.800 4.807 4.594 4.861 0.061 18 0 "[ . 1 . 2]" 1
70 1 15 SER H 1 88 PHE HA 1.800 . 4.800 3.552 3.022 4.804 0.004 15 0 "[ . 1 . 2]" 1
71 1 15 SER H 1 89 LYS H 1.800 . 5.900 4.804 4.260 5.904 0.004 15 0 "[ . 1 . 2]" 1
72 1 15 SER HA 1 16 THR H 1.800 . 3.800 2.712 2.662 2.724 . 0 0 "[ . 1 . 2]" 1
73 1 15 SER HB2 1 16 THR H 1.800 . 5.400 3.092 2.078 3.659 . 0 0 "[ . 1 . 2]" 1
74 1 15 SER HB3 1 16 THR H 1.800 . 5.400 2.503 1.963 3.599 . 0 0 "[ . 1 . 2]" 1
75 1 16 THR H 1 17 VAL HA 1.800 . 5.400 5.010 4.911 5.070 . 0 0 "[ . 1 . 2]" 1
76 1 16 THR HA 1 88 PHE HA 1.800 . 5.400 3.718 3.367 3.955 . 0 0 "[ . 1 . 2]" 1
77 1 16 THR HB 1 17 VAL H 1.800 . 5.300 3.713 2.658 3.992 . 0 0 "[ . 1 . 2]" 1
78 1 16 THR HA 1 17 VAL H 1.800 . 3.800 2.297 2.238 2.353 . 0 0 "[ . 1 . 2]" 1
79 1 17 VAL H 1 90 VAL HA 1.800 . 4.200 2.919 2.526 3.189 . 0 0 "[ . 1 . 2]" 1
80 1 17 VAL H 1 91 THR H 1.800 . 4.900 3.972 3.550 4.307 . 0 0 "[ . 1 . 2]" 1
81 1 17 VAL H 1 90 VAL MG2 1.800 . 5.900 4.099 3.497 4.540 . 0 0 "[ . 1 . 2]" 1
82 1 17 VAL H 1 89 LYS H 1.800 . 4.900 3.506 2.923 3.997 . 0 0 "[ . 1 . 2]" 1
83 1 17 VAL H 1 89 LYS HB2 1.800 . 6.000 5.148 4.145 6.003 0.003 17 0 "[ . 1 . 2]" 1
84 1 18 ALA H 1 18 ALA MB 1.800 . 5.600 2.144 2.038 2.261 . 0 0 "[ . 1 . 2]" 1
85 1 17 VAL MG1 1 18 ALA H 1.800 . 5.500 3.599 3.397 3.852 . 0 0 "[ . 1 . 2]" 1
86 1 17 VAL HA 1 18 ALA H 1.800 . 3.800 2.318 2.306 2.326 . 0 0 "[ . 1 . 2]" 1
87 1 17 VAL HB 1 18 ALA H 1.800 . 5.000 3.481 2.594 3.962 . 0 0 "[ . 1 . 2]" 1
88 1 18 ALA H 1 21 LEU HB3 1.800 . 5.200 4.747 3.497 5.206 0.006 17 0 "[ . 1 . 2]" 1
89 1 18 ALA H 1 90 VAL HA 1.800 . 5.900 5.243 5.007 5.495 . 0 0 "[ . 1 . 2]" 1
90 1 18 ALA HA 1 91 THR H 1.800 . 4.300 3.194 2.864 3.519 . 0 0 "[ . 1 . 2]" 1
91 1 18 ALA HA 1 19 LYS H 1.800 . 3.800 2.408 2.243 2.480 . 0 0 "[ . 1 . 2]" 1
92 1 18 ALA MB 1 19 LYS H 1.800 . 4.800 2.472 2.244 2.858 . 0 0 "[ . 1 . 2]" 1
93 1 19 LYS H 1 91 THR H 1.800 . 4.900 4.011 3.612 4.527 . 0 0 "[ . 1 . 2]" 1
94 1 19 LYS HB3 1 20 GLY H 1.800 . 5.700 3.834 3.473 4.246 . 0 0 "[ . 1 . 2]" 1
95 1 19 LYS HA 1 20 GLY H 1.800 . 3.800 2.168 2.146 2.213 . 0 0 "[ . 1 . 2]" 1
96 1 20 GLY H 1 21 LEU H 1.800 . 5.100 3.317 2.785 3.691 . 0 0 "[ . 1 . 2]" 1
97 1 20 GLY H 1 67 THR H 1.800 . 6.100 5.684 4.717 6.125 0.025 4 0 "[ . 1 . 2]" 1
98 1 17 VAL MG2 1 20 GLY H 1.800 . 6.100 5.040 4.377 5.657 . 0 0 "[ . 1 . 2]" 1
99 1 20 GLY H 1 67 THR MG 1.800 . 6.100 5.041 3.516 6.104 0.004 10 0 "[ . 1 . 2]" 1
100 1 20 GLY HA3 1 21 LEU H 1.800 . 4.000 3.473 3.351 3.560 . 0 0 "[ . 1 . 2]" 1
101 1 20 GLY HA2 1 21 LEU H 1.800 . 4.000 2.279 2.154 2.468 . 0 0 "[ . 1 . 2]" 1
102 1 21 LEU H 1 22 GLN HA 1.800 . 4.900 4.662 4.585 4.841 . 0 0 "[ . 1 . 2]" 1
103 1 21 LEU H 1 22 GLN H 1.800 . 4.900 4.317 4.072 4.428 . 0 0 "[ . 1 . 2]" 1
104 1 21 LEU H 1 67 THR MG 1.800 . 4.900 4.130 2.297 4.935 0.035 18 0 "[ . 1 . 2]" 1
105 1 21 LEU H 1 67 THR HA 1.800 . 5.300 5.251 4.991 5.339 0.039 16 0 "[ . 1 . 2]" 1
106 1 21 LEU H 1 67 THR H 1.800 . 3.900 3.335 3.012 3.662 . 0 0 "[ . 1 . 2]" 1
107 1 21 LEU H 1 68 LEU HA 1.800 . 4.600 4.136 3.574 4.550 . 0 0 "[ . 1 . 2]" 1
108 1 21 LEU HB3 1 22 GLN H 1.800 . 4.800 2.999 2.205 3.791 . 0 0 "[ . 1 . 2]" 1
109 1 21 LEU HA 1 22 GLN H 1.800 . 3.800 2.398 2.169 2.667 . 0 0 "[ . 1 . 2]" 1
110 1 21 LEU MD1 1 22 GLN H 1.800 . 5.000 3.637 1.859 4.784 . 0 0 "[ . 1 . 2]" 1
111 1 22 GLN H 1 22 GLN HE21 1.800 . 5.000 4.237 2.257 5.008 0.008 11 0 "[ . 1 . 2]" 1
112 1 22 GLN HA 1 22 GLN HE21 1.800 . 5.000 3.915 2.595 4.509 . 0 0 "[ . 1 . 2]" 1
113 1 22 GLN HE21 1 66 SER HA 1.800 . 4.000 3.769 3.090 4.017 0.017 20 0 "[ . 1 . 2]" 1
114 1 22 GLN HB2 1 23 GLU H 1.800 . 5.600 3.292 2.366 4.325 . 0 0 "[ . 1 . 2]" 1
115 1 22 GLN HA 1 23 GLU H 1.800 . 3.800 2.288 2.196 2.442 . 0 0 "[ . 1 . 2]" 1
116 1 23 GLU H 1 64 LEU HB3 1.800 . 4.900 4.605 3.972 4.916 0.016 10 0 "[ . 1 . 2]" 1
117 1 23 GLU H 1 64 LEU MD2 1.800 . 5.900 5.254 4.538 5.945 0.045 8 0 "[ . 1 . 2]" 1
118 1 23 GLU H 1 64 LEU HA 1.800 . 4.900 4.566 4.353 4.891 . 0 0 "[ . 1 . 2]" 1
119 1 23 GLU H 1 65 ALA H 1.800 . 3.900 2.781 2.590 3.341 . 0 0 "[ . 1 . 2]" 1
120 1 23 GLU H 1 65 ALA MB 1.800 . 4.900 3.377 3.048 3.683 . 0 0 "[ . 1 . 2]" 1
121 1 23 GLU H 1 66 SER HA 1.800 . 4.600 3.840 3.527 3.944 . 0 0 "[ . 1 . 2]" 1
122 1 23 GLU H 1 66 SER HB2 1.800 . 5.900 5.276 4.826 5.708 . 0 0 "[ . 1 . 2]" 1
123 1 23 GLU HB3 1 24 ASN H 1.800 . 5.300 3.422 2.853 4.131 . 0 0 "[ . 1 . 2]" 1
124 1 23 GLU HB2 1 24 ASN H 1.800 . 5.300 4.303 3.816 4.532 . 0 0 "[ . 1 . 2]" 1
125 1 23 GLU HA 1 24 ASN H 1.800 . 3.800 2.199 2.139 2.250 . 0 0 "[ . 1 . 2]" 1
126 1 24 ASN H 1 25 PHE H 1.800 . 5.900 4.544 4.416 4.595 . 0 0 "[ . 1 . 2]" 1
127 1 24 ASN HD21 1 64 LEU HB3 1.800 . 5.000 4.023 2.168 5.066 0.066 8 0 "[ . 1 . 2]" 1
128 1 24 ASN HD21 1 64 LEU HA 1.800 . 5.000 4.201 3.127 5.048 0.048 10 0 "[ . 1 . 2]" 1
129 1 24 ASN HA 1 24 ASN HD21 1.800 . 6.000 2.966 2.328 3.629 . 0 0 "[ . 1 . 2]" 1
130 1 24 ASN H 1 24 ASN HD21 1.800 . 6.000 4.047 2.027 4.935 . 0 0 "[ . 1 . 2]" 1
131 1 24 ASN HA 1 25 PHE H 1.800 . 3.800 2.201 2.162 2.209 . 0 0 "[ . 1 . 2]" 1
132 1 25 PHE H 1 26 LYS H 1.800 . 5.900 4.451 4.292 4.530 . 0 0 "[ . 1 . 2]" 1
133 1 24 ASN HB3 1 25 PHE H 1.800 . 4.800 3.427 3.014 4.306 . 0 0 "[ . 1 . 2]" 1
134 1 25 PHE H 1 26 LYS HA 1.800 . 5.900 4.940 4.773 5.071 . 0 0 "[ . 1 . 2]" 1
135 1 25 PHE H 1 63 GLY HA2 1.800 . 6.000 4.737 4.184 5.358 . 0 0 "[ . 1 . 2]" 1
136 1 25 PHE H 1 63 GLY H 1.800 . 3.900 3.817 3.377 4.028 0.128 8 0 "[ . 1 . 2]" 1
137 1 25 PHE H 1 64 LEU HA 1.800 . 4.300 3.026 2.372 3.397 . 0 0 "[ . 1 . 2]" 1
138 1 25 PHE H 1 64 LEU HB3 1.800 . 5.300 4.942 3.372 5.435 0.135 8 0 "[ . 1 . 2]" 1
139 1 25 PHE H 1 64 LEU MD2 1.800 . 5.300 5.023 3.035 5.396 0.096 20 0 "[ . 1 . 2]" 1
140 1 25 PHE H 1 65 ALA H 1.800 . 5.900 4.804 4.308 5.223 . 0 0 "[ . 1 . 2]" 1
141 1 25 PHE HA 1 26 LYS H 1.800 . 3.800 2.339 2.159 2.592 . 0 0 "[ . 1 . 2]" 1
142 1 25 PHE HB2 1 26 LYS H 1.800 . 5.500 3.849 2.189 4.369 . 0 0 "[ . 1 . 2]" 1
143 1 25 PHE HB3 1 26 LYS H 1.800 . 5.300 3.144 2.254 4.046 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL HA 1 26 LYS H 1.800 . 6.000 4.998 4.861 5.221 . 0 0 "[ . 1 . 2]" 1
145 1 10 VAL MG1 1 26 LYS H 1.800 . 6.000 5.259 4.606 5.954 . 0 0 "[ . 1 . 2]" 1
146 1 26 LYS H 1 27 ALA MB 1.800 . 5.300 4.555 4.321 4.936 . 0 0 "[ . 1 . 2]" 1
147 1 26 LYS HB2 1 27 ALA H 1.800 . 5.300 4.260 3.897 4.439 . 0 0 "[ . 1 . 2]" 1
148 1 26 LYS HA 1 27 ALA H 1.800 . 3.800 2.209 2.151 2.338 . 0 0 "[ . 1 . 2]" 1
149 1 27 ALA H 1 28 THR H 1.800 . 5.600 4.294 4.211 4.350 . 0 0 "[ . 1 . 2]" 1
150 1 27 ALA H 1 39 ILE MD 1.800 . 4.900 4.762 4.313 4.970 0.070 6 0 "[ . 1 . 2]" 1
151 1 27 ALA MB 1 28 THR H 1.800 . 5.600 3.045 2.961 3.192 . 0 0 "[ . 1 . 2]" 1
152 1 27 ALA HA 1 28 THR H 1.800 . 3.800 2.170 2.146 2.178 . 0 0 "[ . 1 . 2]" 1
153 1 28 THR H 1 28 THR MG 1.800 . 6.000 3.781 2.681 3.906 . 0 0 "[ . 1 . 2]" 1
154 1 28 THR H 1 29 GLY H 1.800 . 5.600 4.346 4.161 4.455 . 0 0 "[ . 1 . 2]" 1
155 1 10 VAL HB 1 28 THR H 1.800 . 6.100 6.088 5.905 6.164 0.064 15 0 "[ . 1 . 2]" 1
156 1 10 VAL HA 1 28 THR H 1.800 . 4.100 3.997 3.754 4.134 0.034 19 0 "[ . 1 . 2]" 1
157 1 9 SER HB2 1 28 THR H 1.800 . 4.900 3.528 3.009 4.596 . 0 0 "[ . 1 . 2]" 1
158 1 9 SER HA 1 28 THR H 1.800 . 5.300 4.576 4.476 4.952 . 0 0 "[ . 1 . 2]" 1
159 1 8 ILE HB 1 28 THR H 1.800 . 4.900 3.990 3.623 5.027 0.127 16 0 "[ . 1 . 2]" 1
160 1 28 THR MG 1 29 GLY H 1.800 . 5.300 2.851 2.470 4.064 . 0 0 "[ . 1 . 2]" 1
161 1 28 THR HA 1 29 GLY H 1.800 . 3.800 2.152 2.146 2.159 . 0 0 "[ . 1 . 2]" 1
162 1 28 THR HB 1 29 GLY H 1.800 . 4.700 3.901 3.356 4.300 . 0 0 "[ . 1 . 2]" 1
163 1 29 GLY H 1 37 SER H 1.800 . 3.900 3.633 3.377 3.985 0.085 13 0 "[ . 1 . 2]" 1
164 1 29 GLY H 1 39 ILE H 1.800 . 4.900 3.268 2.677 3.682 . 0 0 "[ . 1 . 2]" 1
165 1 29 GLY H 1 37 SER HB2 1.800 . 4.900 4.552 3.847 4.883 . 0 0 "[ . 1 . 2]" 1
166 1 29 GLY H 1 38 ASP HB2 1.800 . 5.300 5.389 5.338 5.512 0.212 13 0 "[ . 1 . 2]" 1
167 1 29 GLY H 1 36 ASN HA 1.800 . 5.900 5.395 5.132 5.913 0.013 13 0 "[ . 1 . 2]" 1
168 1 29 GLY HA3 1 30 ILE H 1.800 . 4.500 3.048 3.010 3.226 . 0 0 "[ . 1 . 2]" 1
169 1 29 GLY HA2 1 30 ILE H 1.800 . 4.500 2.195 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
170 1 30 ILE H 1 30 ILE MG 1.800 . 5.900 3.855 3.773 3.907 . 0 0 "[ . 1 . 2]" 1
171 1 8 ILE HB 1 30 ILE H 1.800 . 4.900 4.417 3.452 4.883 . 0 0 "[ . 1 . 2]" 1
172 1 8 ILE MG 1 30 ILE H 1.800 . 4.900 2.829 2.274 4.922 0.022 16 0 "[ . 1 . 2]" 1
173 1 7 SER HB2 1 30 ILE H 1.800 . 4.900 4.896 4.698 5.003 0.103 15 0 "[ . 1 . 2]" 1
174 1 6 VAL HB 1 30 ILE H 1.800 . 4.900 4.896 4.518 4.968 0.068 17 0 "[ . 1 . 2]" 1
175 1 30 ILE H 1 81 GLY H 1.800 . 6.200 6.218 5.521 6.306 0.106 1 0 "[ . 1 . 2]" 1
176 1 30 ILE H 1 31 PHE HA 1.800 . 5.200 4.965 4.893 5.096 . 0 0 "[ . 1 . 2]" 1
177 1 30 ILE H 1 82 ILE HG13 1.800 . 6.200 6.250 6.165 6.355 0.155 1 0 "[ . 1 . 2]" 1
178 1 30 ILE H 1 82 ILE QG 1.800 . 6.200 5.535 5.344 6.028 . 0 0 "[ . 1 . 2]" 1
179 1 30 ILE MD 1 31 PHE H 1.800 . 6.000 4.257 3.517 5.214 . 0 0 "[ . 1 . 2]" 1
180 1 30 ILE HB 1 31 PHE H 1.800 . 5.300 3.848 3.618 4.275 . 0 0 "[ . 1 . 2]" 1
181 1 30 ILE HA 1 31 PHE H 1.800 . 3.800 2.244 2.149 2.288 . 0 0 "[ . 1 . 2]" 1
182 1 31 PHE H 1 33 ASP H 1.800 . 5.500 4.538 4.456 5.063 . 0 0 "[ . 1 . 2]" 1
183 1 31 PHE H 1 32 THR H 1.800 . 5.500 4.493 4.439 4.528 . 0 0 "[ . 1 . 2]" 1
184 1 31 PHE H 1 34 ASN HA 1.800 . 4.900 4.639 4.286 5.225 0.325 13 0 "[ . 1 . 2]" 1
185 1 31 PHE H 1 35 SER H 1.800 . 4.900 3.643 3.451 3.958 . 0 0 "[ . 1 . 2]" 1
186 1 31 PHE H 1 36 ASN HA 1.800 . 4.900 3.149 2.865 3.539 . 0 0 "[ . 1 . 2]" 1
187 1 6 VAL H 1 31 PHE H 1.800 . 5.900 5.302 4.685 5.808 . 0 0 "[ . 1 . 2]" 1
188 1 5 LEU HA 1 31 PHE H 1.800 . 5.900 5.285 4.674 5.916 0.016 15 0 "[ . 1 . 2]" 1
189 1 32 THR H 1 33 ASP HB3 1.800 . 5.500 5.101 4.662 5.513 0.013 13 0 "[ . 1 . 2]" 1
190 1 31 PHE HB3 1 32 THR H 1.800 . 5.300 2.577 2.461 2.862 . 0 0 "[ . 1 . 2]" 1
191 1 31 PHE HB2 1 32 THR H 1.800 . 5.300 3.853 3.748 4.115 . 0 0 "[ . 1 . 2]" 1
192 1 31 PHE HA 1 32 THR H 1.800 . 3.800 2.351 2.286 2.397 . 0 0 "[ . 1 . 2]" 1
193 1 32 THR H 1 33 ASP H 1.800 . 5.900 2.586 2.564 2.590 . 0 0 "[ . 1 . 2]" 1
194 1 6 VAL HB 1 32 THR H 1.800 . 6.000 4.397 3.941 4.654 . 0 0 "[ . 1 . 2]" 1
195 1 6 VAL H 1 32 THR H 1.800 . 6.000 4.948 4.562 5.278 . 0 0 "[ . 1 . 2]" 1
196 1 3 ALA MB 1 32 THR H 1.800 . 5.300 3.903 3.137 4.666 . 0 0 "[ . 1 . 2]" 1
197 1 5 LEU HA 1 32 THR H 1.800 . 6.000 4.176 3.501 4.695 . 0 0 "[ . 1 . 2]" 1
198 1 6 VAL MG2 1 32 THR H 1.800 . 6.000 2.306 1.978 2.490 . 0 0 "[ . 1 . 2]" 1
199 1 5 LEU MD2 1 32 THR H 1.800 . 6.000 5.805 5.336 6.066 0.066 4 0 "[ . 1 . 2]" 1
200 1 33 ASP H 1 34 ASN H 1.800 . 5.900 2.658 2.318 2.727 . 0 0 "[ . 1 . 2]" 1
201 1 33 ASP H 1 35 SER H 1.800 . 4.900 3.295 3.183 3.870 . 0 0 "[ . 1 . 2]" 1
202 1 31 PHE HA 1 33 ASP H 1.800 . 6.000 3.915 3.826 4.086 . 0 0 "[ . 1 . 2]" 1
203 1 32 THR HB 1 33 ASP H 1.800 . 4.800 3.834 3.262 4.313 . 0 0 "[ . 1 . 2]" 1
204 1 33 ASP H 1 34 ASN HA 1.800 . 6.000 4.796 4.758 4.841 . 0 0 "[ . 1 . 2]" 1
205 1 31 PHE HB3 1 33 ASP H 1.800 . 5.900 2.335 2.231 2.441 . 0 0 "[ . 1 . 2]" 1
206 1 31 PHE HB2 1 33 ASP HB2 1.800 . 6.000 4.757 4.198 6.012 0.012 13 0 "[ . 1 . 2]" 1
207 1 32 THR H 1 34 ASN H 1.800 . 5.900 4.366 3.853 4.446 . 0 0 "[ . 1 . 2]" 1
208 1 34 ASN H 1 35 SER H 1.800 . 4.900 2.580 1.811 2.645 . 0 0 "[ . 1 . 2]" 1
209 1 31 PHE HA 1 34 ASN H 1.800 . 5.900 5.142 4.365 5.285 . 0 0 "[ . 1 . 2]" 1
210 1 33 ASP HA 1 34 ASN H 1.800 . 3.800 3.087 3.035 3.143 . 0 0 "[ . 1 . 2]" 1
211 1 33 ASP HB2 1 34 ASN H 1.800 . 5.600 4.388 4.169 4.504 . 0 0 "[ . 1 . 2]" 1
212 1 33 ASP HB3 1 34 ASN H 1.800 . 5.000 4.014 3.848 4.556 . 0 0 "[ . 1 . 2]" 1
213 1 31 PHE HB3 1 34 ASN H 1.800 . 5.900 4.333 2.532 4.598 . 0 0 "[ . 1 . 2]" 1
214 1 30 ILE MG 1 34 ASN H 1.800 . 5.900 4.282 4.029 4.804 . 0 0 "[ . 1 . 2]" 1
215 1 34 ASN HB2 1 35 SER H 1.800 . 5.300 3.880 3.861 3.956 . 0 0 "[ . 1 . 2]" 1
216 1 34 ASN HA 1 35 SER H 1.800 . 3.800 3.109 3.068 3.344 . 0 0 "[ . 1 . 2]" 1
217 1 32 THR H 1 35 SER H 1.800 . 5.500 5.198 4.839 5.297 . 0 0 "[ . 1 . 2]" 1
218 1 32 THR HA 1 35 SER H 1.800 . 5.900 5.327 3.937 5.480 . 0 0 "[ . 1 . 2]" 1
219 1 31 PHE HA 1 35 SER H 1.800 . 5.900 5.165 5.035 5.265 . 0 0 "[ . 1 . 2]" 1
220 1 35 SER H 1 36 ASN H 1.800 . 5.700 4.210 3.930 4.438 . 0 0 "[ . 1 . 2]" 1
221 1 35 SER HA 1 36 ASN H 1.800 . 3.800 2.228 2.138 3.552 . 0 0 "[ . 1 . 2]" 1
222 1 34 ASN HB2 1 36 ASN H 1.800 . 6.000 5.984 5.499 6.058 0.058 15 0 "[ . 1 . 2]" 1
223 1 30 ILE MD 1 36 ASN HD22 1.800 . 4.900 3.421 2.215 4.910 0.010 1 0 "[ . 1 . 2]" 1
224 1 30 ILE MG 1 36 ASN HD22 1.800 . 4.900 3.134 2.164 4.958 0.058 8 0 "[ . 1 . 2]" 1
225 1 30 ILE HA 1 36 ASN HD22 1.800 . 4.900 4.223 3.412 4.917 0.017 11 0 "[ . 1 . 2]" 1
226 1 31 PHE H 1 36 ASN H 1.800 . 6.000 4.684 4.401 5.032 . 0 0 "[ . 1 . 2]" 1
227 1 30 ILE HA 1 36 ASN H 1.800 . 5.000 4.797 4.559 5.016 0.016 18 0 "[ . 1 . 2]" 1
228 1 37 SER H 1 40 THR H 1.800 . 6.200 5.274 4.872 5.765 . 0 0 "[ . 1 . 2]" 1
229 1 37 SER H 1 38 ASP H 1.800 . 5.200 4.400 4.243 4.443 . 0 0 "[ . 1 . 2]" 1
230 1 36 ASN H 1 37 SER H 1.800 . 6.200 4.543 4.253 4.563 . 0 0 "[ . 1 . 2]" 1
231 1 36 ASN HA 1 37 SER H 1.800 . 3.800 2.214 2.181 2.226 . 0 0 "[ . 1 . 2]" 1
232 1 37 SER H 1 40 THR HB 1.800 . 5.500 4.697 3.849 5.567 0.067 13 0 "[ . 1 . 2]" 1
233 1 30 ILE MD 1 37 SER H 1.800 . 5.000 4.238 3.300 5.004 0.004 1 0 "[ . 1 . 2]" 1
234 1 31 PHE H 1 37 SER H 1.800 . 6.000 4.776 4.262 5.066 . 0 0 "[ . 1 . 2]" 1
235 1 30 ILE HA 1 37 SER HB2 1.800 . 6.000 5.539 4.927 6.021 0.021 5 0 "[ . 1 . 2]" 1
236 1 37 SER HA 1 38 ASP H 1.800 . 3.800 2.293 2.153 2.409 . 0 0 "[ . 1 . 2]" 1
237 1 37 SER HB2 1 38 ASP H 1.800 . 5.300 3.843 3.573 4.033 . 0 0 "[ . 1 . 2]" 1
238 1 38 ASP H 1 39 ILE MG 1.800 . 5.600 5.679 5.653 5.713 0.113 1 0 "[ . 1 . 2]" 1
239 1 28 THR MG 1 38 ASP H 1.800 . 5.600 4.305 3.695 5.497 . 0 0 "[ . 1 . 2]" 1
240 1 26 LYS HE3 1 38 ASP HB2 1.800 . 5.600 4.565 2.826 5.573 . 0 0 "[ . 1 . 2]" 1
241 1 38 ASP HB3 1 39 ILE H 1.800 . 5.300 4.246 4.117 4.464 . 0 0 "[ . 1 . 2]" 1
242 1 38 ASP HB2 1 39 ILE H 1.800 . 5.300 3.406 3.125 4.253 . 0 0 "[ . 1 . 2]" 1
243 1 37 SER HB2 1 39 ILE H 1.800 . 6.000 5.780 4.777 6.028 0.028 9 0 "[ . 1 . 2]" 1
244 1 39 ILE H 1 40 THR HA 1.800 . 5.700 5.340 5.295 5.360 . 0 0 "[ . 1 . 2]" 1
245 1 38 ASP HA 1 39 ILE H 1.800 . 3.800 2.158 2.143 2.179 . 0 0 "[ . 1 . 2]" 1
246 1 39 ILE HB 1 42 GLN HG3 1.800 . 5.000 4.550 4.170 5.061 0.061 17 0 "[ . 1 . 2]" 1
247 1 28 THR H 1 39 ILE H 1.800 . 6.000 5.153 4.669 5.849 . 0 0 "[ . 1 . 2]" 1
248 1 39 ILE MG 1 61 SER HB2 1.800 . 5.000 4.519 3.209 5.015 0.015 6 0 "[ . 1 . 2]" 1
249 1 40 THR H 1 42 GLN H 1.800 . 5.500 3.772 3.704 3.857 . 0 0 "[ . 1 . 2]" 1
250 1 39 ILE HB 1 40 THR H 1.800 . 4.800 4.426 4.416 4.446 . 0 0 "[ . 1 . 2]" 1
251 1 40 THR H 1 40 THR MG 1.800 . 5.000 2.158 1.896 3.737 . 0 0 "[ . 1 . 2]" 1
252 1 39 ILE MD 1 40 THR H 1.800 . 5.600 4.724 4.377 5.353 . 0 0 "[ . 1 . 2]" 1
253 1 29 GLY H 1 40 THR H 1.800 . 5.600 3.778 3.084 4.619 . 0 0 "[ . 1 . 2]" 1
254 1 41 ASP H 1 42 GLN H 1.800 . 4.900 2.447 2.309 2.538 . 0 0 "[ . 1 . 2]" 1
255 1 40 THR HA 1 41 ASP H 1.800 . 3.800 3.537 3.518 3.549 . 0 0 "[ . 1 . 2]" 1
256 1 40 THR HB 1 41 ASP H 1.800 . 5.600 3.771 2.772 3.972 . 0 0 "[ . 1 . 2]" 1
257 1 40 THR MG 1 41 ASP H 1.800 . 5.700 2.272 1.888 4.116 . 0 0 "[ . 1 . 2]" 1
258 1 41 ASP H 1 79 ILE MD 1.800 . 4.000 2.254 1.855 4.078 0.078 3 0 "[ . 1 . 2]" 1
259 1 41 ASP H 1 79 ILE MG 1.800 . 5.000 4.880 3.197 5.165 0.165 8 0 "[ . 1 . 2]" 1
260 1 42 GLN H 1 43 VAL HB 1.800 . 6.000 5.473 5.211 5.968 . 0 0 "[ . 1 . 2]" 1
261 1 42 GLN H 1 42 GLN HG2 1.800 . 5.500 4.576 3.642 5.018 . 0 0 "[ . 1 . 2]" 1
262 1 41 ASP HA 1 42 GLN H 1.800 . 3.800 3.199 3.177 3.285 . 0 0 "[ . 1 . 2]" 1
263 1 39 ILE HA 1 42 GLN H 1.800 . 5.100 3.308 3.062 3.466 . 0 0 "[ . 1 . 2]" 1
264 1 42 GLN H 1 43 VAL H 1.800 . 4.900 3.275 3.031 3.504 . 0 0 "[ . 1 . 2]" 1
265 1 39 ILE MG 1 42 GLN HE22 1.800 . 4.900 4.297 2.898 4.590 . 0 0 "[ . 1 . 2]" 1
266 1 39 ILE HA 1 42 GLN HE22 1.800 . 4.900 4.900 4.778 4.988 0.088 6 0 "[ . 1 . 2]" 1
267 1 42 GLN H 1 79 ILE MD 1.800 . 4.900 2.746 2.163 4.427 . 0 0 "[ . 1 . 2]" 1
268 1 43 VAL H 1 44 THR H 1.800 . 5.900 4.460 4.359 4.621 . 0 0 "[ . 1 . 2]" 1
269 1 42 GLN HA 1 43 VAL H 1.800 . 3.800 2.292 2.183 2.427 . 0 0 "[ . 1 . 2]" 1
270 1 41 ASP HA 1 43 VAL H 1.800 . 6.300 6.002 5.659 6.327 0.027 3 0 "[ . 1 . 2]" 1
271 1 42 GLN HG3 1 43 VAL H 1.800 . 5.300 4.639 4.212 5.362 0.062 17 0 "[ . 1 . 2]" 1
272 1 42 GLN HB3 1 43 VAL H 1.800 . 5.500 4.132 3.970 4.272 . 0 0 "[ . 1 . 2]" 1
273 1 43 VAL H 1 79 ILE MD 1.800 . 5.500 2.443 1.996 4.126 . 0 0 "[ . 1 . 2]" 1
274 1 43 VAL HA 1 44 THR H 1.800 . 4.000 2.153 2.140 2.219 . 0 0 "[ . 1 . 2]" 1
275 1 44 THR H 1 44 THR MG 1.800 . 5.000 3.574 1.898 3.830 . 0 0 "[ . 1 . 2]" 1
276 1 43 VAL HB 1 44 THR H 1.800 . 5.400 4.270 3.993 4.370 . 0 0 "[ . 1 . 2]" 1
277 1 44 THR H 1 78 SER H 1.800 . 3.900 3.094 2.555 3.559 . 0 0 "[ . 1 . 2]" 1
278 1 44 THR H 1 78 SER HA 1.800 . 6.300 5.034 4.558 5.367 . 0 0 "[ . 1 . 2]" 1
279 1 44 THR H 1 78 SER HB2 1.800 . 5.100 4.953 4.073 5.159 0.059 20 0 "[ . 1 . 2]" 1
280 1 44 THR H 1 78 SER HB3 1.800 . 5.100 4.916 3.784 5.158 0.058 15 0 "[ . 1 . 2]" 1
281 1 44 THR H 1 79 ILE HB 1.800 . 4.900 4.129 3.329 5.070 0.170 3 0 "[ . 1 . 2]" 1
282 1 44 THR H 1 79 ILE MD 1.800 . 4.800 4.503 2.655 5.033 0.233 4 0 "[ . 1 . 2]" 1
283 1 44 THR HA 1 45 TRP H 1.800 . 4.000 2.147 2.141 2.152 . 0 0 "[ . 1 . 2]" 1
284 1 44 THR HB 1 45 TRP H 1.800 . 5.500 4.073 3.820 4.290 . 0 0 "[ . 1 . 2]" 1
285 1 45 TRP H 1 46 ASP HA 1.800 . 5.500 5.177 4.849 5.313 . 0 0 "[ . 1 . 2]" 1
286 1 45 TRP H 1 46 ASP H 1.800 . 5.500 4.498 4.328 4.565 . 0 0 "[ . 1 . 2]" 1
287 1 44 THR H 1 45 TRP H 1.800 . 5.500 4.452 4.332 4.531 . 0 0 "[ . 1 . 2]" 1
288 1 44 THR HA 1 45 TRP HE1 1.800 . 5.100 5.079 4.763 5.154 0.054 12 0 "[ . 1 . 2]" 1
289 1 45 TRP H 1 57 ASN QD 1.800 . 4.500 3.836 3.122 4.531 0.031 16 0 "[ . 1 . 2]" 1
290 1 45 TRP H 1 55 ILE MG 1.800 . 6.100 4.988 3.978 6.139 0.039 17 0 "[ . 1 . 2]" 1
291 1 45 TRP H 1 55 ILE HB 1.800 . 6.100 5.843 5.386 6.220 0.120 20 0 "[ . 1 . 2]" 1
292 1 44 THR MG 1 45 TRP H 1.800 . 4.100 2.946 2.418 3.977 . 0 0 "[ . 1 . 2]" 1
293 1 45 TRP H 1 57 ASN HB3 1.800 . 5.500 4.929 4.046 5.523 0.023 12 0 "[ . 1 . 2]" 1
294 1 45 TRP HA 1 46 ASP H 1.800 . 4.000 2.225 2.164 2.338 . 0 0 "[ . 1 . 2]" 1
295 1 46 ASP H 1 76 THR H 1.800 . 4.000 3.136 2.760 3.556 . 0 0 "[ . 1 . 2]" 1
296 1 46 ASP H 1 76 THR HA 1.800 . 5.300 5.031 4.611 5.324 0.024 17 0 "[ . 1 . 2]" 1
297 1 46 ASP H 1 75 VAL HA 1.800 . 5.800 4.469 4.087 4.847 . 0 0 "[ . 1 . 2]" 1
298 1 46 ASP H 1 77 ALA HA 1.800 . 4.600 3.831 3.325 4.253 . 0 0 "[ . 1 . 2]" 1
299 1 46 ASP H 1 76 THR HB 1.800 . 4.900 4.447 3.918 4.900 . 0 0 "[ . 1 . 2]" 1
300 1 46 ASP H 1 76 THR MG 1.800 . 6.300 5.416 5.057 5.691 . 0 0 "[ . 1 . 2]" 1
301 1 44 THR MG 1 46 ASP H 1.800 . 5.300 5.013 4.312 5.319 0.019 14 0 "[ . 1 . 2]" 1
302 1 46 ASP H 1 55 ILE MG 1.800 . 6.000 4.467 3.349 5.479 . 0 0 "[ . 1 . 2]" 1
303 1 46 ASP H 1 75 VAL MG2 1.800 . 5.800 5.310 4.692 5.809 0.009 12 0 "[ . 1 . 2]" 1
304 1 46 ASP HA 1 47 SER H 1.800 . 3.800 2.254 2.220 2.524 . 0 0 "[ . 1 . 2]" 1
305 1 46 ASP HB2 1 47 SER H 1.800 . 4.800 4.121 3.118 4.293 . 0 0 "[ . 1 . 2]" 1
306 1 47 SER H 1 55 ILE H 1.800 . 6.100 6.033 5.109 6.156 0.056 5 0 "[ . 1 . 2]" 1
307 1 46 ASP H 1 47 SER H 1.800 . 5.900 4.338 4.293 4.483 . 0 0 "[ . 1 . 2]" 1
308 1 47 SER H 1 75 VAL MG2 1.800 . 5.900 5.335 4.214 5.928 0.028 9 0 "[ . 1 . 2]" 1
309 1 47 SER H 1 53 LEU MD1 1.800 . 5.900 4.193 1.856 5.534 . 0 0 "[ . 1 . 2]" 1
310 1 47 SER HB2 1 48 SER H 1.800 . 5.500 3.747 2.845 4.288 . 0 0 "[ . 1 . 2]" 1
311 1 47 SER HA 1 48 SER H 1.800 . 3.800 2.251 2.178 2.278 . 0 0 "[ . 1 . 2]" 1
312 1 48 SER H 1 49 ASN H 1.800 . 4.900 2.647 2.414 3.373 . 0 0 "[ . 1 . 2]" 1
313 1 48 SER H 1 73 VAL HB 1.800 . 5.900 4.217 3.014 5.645 . 0 0 "[ . 1 . 2]" 1
314 1 48 SER H 1 74 LYS H 1.800 . 3.900 2.590 2.188 3.112 . 0 0 "[ . 1 . 2]" 1
315 1 48 SER H 1 74 LYS HB2 1.800 . 4.900 4.396 3.720 4.909 0.009 11 0 "[ . 1 . 2]" 1
316 1 48 SER H 1 75 VAL HA 1.800 . 4.400 3.875 3.403 4.429 0.029 20 0 "[ . 1 . 2]" 1
317 1 48 SER HA 1 53 LEU MD1 1.800 . 5.500 5.292 5.004 5.627 0.127 20 0 "[ . 1 . 2]" 1
318 1 48 SER H 1 49 ASN HA 1.800 . 5.500 4.862 4.674 5.161 . 0 0 "[ . 1 . 2]" 1
319 1 48 SER H 1 75 VAL MG2 1.800 . 4.900 4.216 3.409 4.745 . 0 0 "[ . 1 . 2]" 1
320 1 48 SER HB2 1 49 ASN H 1.800 . 5.000 3.802 3.190 4.451 . 0 0 "[ . 1 . 2]" 1
321 1 48 SER HA 1 49 ASN H 1.800 . 3.800 3.435 3.307 3.523 . 0 0 "[ . 1 . 2]" 1
322 1 49 ASN H 1 50 THR H 1.800 . 5.900 4.126 3.115 4.455 . 0 0 "[ . 1 . 2]" 1
323 1 49 ASN HD22 1 51 ASP H 1.800 . 5.900 5.117 3.705 5.894 . 0 0 "[ . 1 . 2]" 1
324 1 49 ASN HA 1 49 ASN HD22 1.800 . 4.900 3.869 3.312 4.723 . 0 0 "[ . 1 . 2]" 1
325 1 49 ASN H 1 53 LEU HB3 1.800 . 5.900 5.757 4.453 5.969 0.069 7 0 "[ . 1 . 2]" 1
326 1 49 ASN H 1 53 LEU MD2 1.800 . 4.900 2.893 2.077 4.357 . 0 0 "[ . 1 . 2]" 1
327 1 49 ASN HB3 1 50 THR H 1.800 . 5.300 3.775 3.017 4.542 . 0 0 "[ . 1 . 2]" 1
328 1 49 ASN HB2 1 50 THR H 1.800 . 5.400 4.148 3.825 4.647 . 0 0 "[ . 1 . 2]" 1
329 1 49 ASN HA 1 50 THR H 1.800 . 3.800 2.272 2.148 2.418 . 0 0 "[ . 1 . 2]" 1
330 1 50 THR H 1 51 ASP H 1.800 . 4.900 2.455 1.884 2.869 . 0 0 "[ . 1 . 2]" 1
331 1 50 THR H 1 52 ILE H 1.800 . 4.900 3.740 3.134 4.837 . 0 0 "[ . 1 . 2]" 1
332 1 50 THR H 1 50 THR MG 1.800 . 5.300 3.792 2.301 4.042 . 0 0 "[ . 1 . 2]" 1
333 1 50 THR H 1 53 LEU HB3 1.800 . 5.900 4.857 3.885 5.416 . 0 0 "[ . 1 . 2]" 1
334 1 51 ASP H 1 52 ILE MG 1.800 . 6.000 4.191 3.903 5.660 . 0 0 "[ . 1 . 2]" 1
335 1 50 THR MG 1 51 ASP H 1.800 . 4.900 3.257 1.856 4.178 . 0 0 "[ . 1 . 2]" 1
336 1 50 THR HB 1 51 ASP H 1.800 . 4.900 2.321 1.933 3.727 . 0 0 "[ . 1 . 2]" 1
337 1 50 THR HA 1 51 ASP H 1.800 . 3.800 3.560 3.533 3.572 . 0 0 "[ . 1 . 2]" 1
338 1 51 ASP H 1 52 ILE H 1.800 . 3.900 2.082 1.887 2.416 . 0 0 "[ . 1 . 2]" 1
339 1 51 ASP H 1 71 GLY H 1.800 . 5.900 5.940 5.913 6.014 0.114 18 0 "[ . 1 . 2]" 1
340 1 51 ASP HB3 1 52 ILE H 1.800 . 5.400 2.572 2.105 2.823 . 0 0 "[ . 1 . 2]" 1
341 1 51 ASP HB2 1 52 ILE H 1.800 . 5.400 3.322 2.969 3.816 . 0 0 "[ . 1 . 2]" 1
342 1 51 ASP HA 1 52 ILE H 1.800 . 3.800 3.550 3.528 3.570 . 0 0 "[ . 1 . 2]" 1
343 1 52 ILE H 1 52 ILE MG 1.800 . 5.700 2.564 2.202 3.906 . 0 0 "[ . 1 . 2]" 1
344 1 52 ILE H 1 53 LEU MD2 1.800 . 6.500 3.825 2.393 6.242 . 0 0 "[ . 1 . 2]" 1
345 1 52 ILE H 1 68 LEU H 1.800 . 4.300 4.291 3.934 4.456 0.156 7 0 "[ . 1 . 2]" 1
346 1 52 ILE H 1 53 LEU H 1.800 . 5.500 3.605 3.238 3.922 . 0 0 "[ . 1 . 2]" 1
347 1 52 ILE HA 1 53 LEU H 1.800 . 3.800 2.181 2.141 2.259 . 0 0 "[ . 1 . 2]" 1
348 1 52 ILE HB 1 53 LEU H 1.800 . 4.800 4.378 4.246 4.499 . 0 0 "[ . 1 . 2]" 1
349 1 52 ILE MG 1 53 LEU H 1.800 . 6.000 4.168 3.446 4.255 . 0 0 "[ . 1 . 2]" 1
350 1 50 THR H 1 53 LEU H 1.800 . 5.000 4.671 3.939 5.089 0.089 5 0 "[ . 1 . 2]" 1
351 1 51 ASP H 1 53 LEU H 1.800 . 5.000 4.858 4.297 5.103 0.103 20 0 "[ . 1 . 2]" 1
352 1 49 ASN QD 1 53 LEU H 1.800 . 4.900 3.448 2.400 4.959 0.059 7 0 "[ . 1 . 2]" 1
353 1 53 LEU H 1 53 LEU MD2 1.800 . 6.000 3.420 2.004 4.103 . 0 0 "[ . 1 . 2]" 1
354 1 53 LEU HA 1 54 SER H 1.800 . 3.800 2.242 2.198 2.292 . 0 0 "[ . 1 . 2]" 1
355 1 53 LEU HB3 1 54 SER H 1.800 . 5.000 3.918 3.685 4.220 . 0 0 "[ . 1 . 2]" 1
356 1 53 LEU MD2 1 54 SER H 1.800 . 5.100 4.587 2.332 5.105 0.005 19 0 "[ . 1 . 2]" 1
357 1 54 SER H 1 66 SER H 1.800 . 4.000 3.738 3.425 4.024 0.024 5 0 "[ . 1 . 2]" 1
358 1 54 SER H 1 66 SER HA 1.800 . 5.300 5.060 4.863 5.186 . 0 0 "[ . 1 . 2]" 1
359 1 54 SER H 1 66 SER HB3 1.800 . 4.900 3.569 3.014 4.909 0.009 1 0 "[ . 1 . 2]" 1
360 1 54 SER H 1 65 ALA HA 1.800 . 5.900 5.524 5.138 5.771 . 0 0 "[ . 1 . 2]" 1
361 1 54 SER H 1 67 THR HA 1.800 . 4.300 3.490 3.051 3.961 . 0 0 "[ . 1 . 2]" 1
362 1 53 LEU H 1 54 SER H 1.800 . 5.000 4.346 4.265 4.450 . 0 0 "[ . 1 . 2]" 1
363 1 54 SER HA 1 55 ILE H 1.800 . 3.800 2.194 2.154 2.213 . 0 0 "[ . 1 . 2]" 1
364 1 54 SER HB2 1 55 ILE H 1.800 . 4.800 4.231 3.446 4.450 . 0 0 "[ . 1 . 2]" 1
365 1 54 SER HB3 1 55 ILE H 1.800 . 4.800 3.511 2.987 4.098 . 0 0 "[ . 1 . 2]" 1
366 1 55 ILE H 1 55 ILE MG 1.800 . 5.700 3.308 1.936 3.916 . 0 0 "[ . 1 . 2]" 1
367 1 54 SER H 1 55 ILE H 1.800 . 5.700 4.338 4.269 4.379 . 0 0 "[ . 1 . 2]" 1
368 1 55 ILE HA 1 56 SER H 1.800 . 3.800 2.160 2.149 2.215 . 0 0 "[ . 1 . 2]" 1
369 1 55 ILE MG 1 56 SER H 1.800 . 5.800 3.085 2.322 3.989 . 0 0 "[ . 1 . 2]" 1
370 1 56 SER H 1 64 LEU H 1.800 . 3.900 3.748 3.150 4.036 0.136 5 0 "[ . 1 . 2]" 1
371 1 56 SER H 1 64 LEU HB2 1.800 . 5.900 4.093 3.473 5.188 . 0 0 "[ . 1 . 2]" 1
372 1 56 SER H 1 64 LEU HB3 1.800 . 5.900 5.015 4.268 5.943 0.043 18 0 "[ . 1 . 2]" 1
373 1 56 SER H 1 65 ALA HA 1.800 . 4.200 3.224 2.596 3.763 . 0 0 "[ . 1 . 2]" 1
374 1 56 SER H 1 65 ALA MB 1.800 . 4.900 4.474 3.704 4.923 0.023 12 0 "[ . 1 . 2]" 1
375 1 56 SER H 1 57 ASN H 1.800 . 5.400 4.243 4.142 4.360 . 0 0 "[ . 1 . 2]" 1
376 1 56 SER HB2 1 57 ASN H 1.800 . 5.300 4.114 3.285 4.583 . 0 0 "[ . 1 . 2]" 1
377 1 56 SER HA 1 57 ASN H 1.800 . 3.800 2.146 2.139 2.163 . 0 0 "[ . 1 . 2]" 1
378 1 57 ASN H 1 58 ALA H 1.800 . 5.900 2.542 1.888 3.461 . 0 0 "[ . 1 . 2]" 1
379 1 44 THR HA 1 57 ASN HD22 1.800 . 5.900 5.552 4.137 5.958 0.058 18 0 "[ . 1 . 2]" 1
380 1 57 ASN HB2 1 57 ASN HD22 1.800 . 4.300 3.787 3.457 4.095 . 0 0 "[ . 1 . 2]" 1
381 1 57 ASN HB3 1 57 ASN HD22 1.800 . 4.300 3.628 3.448 4.097 . 0 0 "[ . 1 . 2]" 1
382 1 57 ASN HA 1 58 ALA H 1.800 . 3.800 2.892 2.221 3.537 . 0 0 "[ . 1 . 2]" 1
383 1 57 ASN HB2 1 58 ALA H 1.800 . 5.100 4.044 2.944 4.640 . 0 0 "[ . 1 . 2]" 1
384 1 57 ASN HB3 1 58 ALA H 1.800 . 5.100 4.188 2.732 4.665 . 0 0 "[ . 1 . 2]" 1
385 1 58 ALA H 1 58 ALA MB 1.800 . 5.600 2.635 2.231 2.916 . 0 0 "[ . 1 . 2]" 1
386 1 56 SER HA 1 58 ALA H 1.800 . 5.300 4.043 3.367 5.306 0.006 11 0 "[ . 1 . 2]" 1
387 1 44 THR MG 1 58 ALA MB 1.800 . 6.300 6.140 5.575 6.358 0.058 14 0 "[ . 1 . 2]" 1
388 1 58 ALA HA 1 59 SER H 1.800 . 3.800 3.187 2.884 3.502 . 0 0 "[ . 1 . 2]" 1
389 1 58 ALA MB 1 59 SER H 1.800 . 5.700 3.336 2.754 3.649 . 0 0 "[ . 1 . 2]" 1
390 1 59 SER H 1 60 ASP H 1.800 . 5.200 2.628 2.404 2.787 . 0 0 "[ . 1 . 2]" 1
391 1 59 SER HB2 1 60 ASP H 1.800 . 5.200 3.525 2.941 4.237 . 0 0 "[ . 1 . 2]" 1
392 1 59 SER HA 1 60 ASP H 1.800 . 3.800 3.451 3.400 3.539 . 0 0 "[ . 1 . 2]" 1
393 1 60 ASP H 1 61 SER H 1.800 . 5.200 2.041 1.875 2.407 . 0 0 "[ . 1 . 2]" 1
394 1 60 ASP H 1 62 HIS H 1.800 . 5.100 4.430 2.313 5.121 0.021 2 0 "[ . 1 . 2]" 1
395 1 58 ALA MB 1 60 ASP HA 1.800 . 6.000 5.653 5.307 6.097 0.097 2 0 "[ . 1 . 2]" 1
396 1 61 SER H 1 62 HIS H 1.800 . 5.300 2.761 2.309 3.628 . 0 0 "[ . 1 . 2]" 1
397 1 60 ASP HA 1 61 SER H 1.800 . 3.800 3.406 2.615 3.569 . 0 0 "[ . 1 . 2]" 1
398 1 61 SER H 1 62 HIS HB3 1.800 . 5.300 5.164 4.724 5.399 0.099 19 0 "[ . 1 . 2]" 1
399 1 58 ALA MB 1 61 SER H 1.800 . 5.300 5.308 4.404 5.498 0.198 20 0 "[ . 1 . 2]" 1
400 1 62 HIS H 1 63 GLY H 1.800 . 5.900 4.635 4.605 4.646 . 0 0 "[ . 1 . 2]" 1
401 1 61 SER HB2 1 62 HIS H 1.800 . 5.400 3.088 2.143 4.608 . 0 0 "[ . 1 . 2]" 1
402 1 61 SER HA 1 62 HIS H 1.800 . 3.900 3.517 3.112 3.570 . 0 0 "[ . 1 . 2]" 1
403 1 60 ASP HB3 1 62 HIS H 1.800 . 5.900 3.964 3.244 5.516 . 0 0 "[ . 1 . 2]" 1
404 1 62 HIS HA 1 63 GLY H 1.800 . 3.800 2.276 2.245 2.283 . 0 0 "[ . 1 . 2]" 1
405 1 63 GLY H 1 64 LEU HA 1.800 . 6.100 5.222 4.745 5.407 . 0 0 "[ . 1 . 2]" 1
406 1 63 GLY H 1 64 LEU H 1.800 . 6.100 4.487 3.667 4.609 . 0 0 "[ . 1 . 2]" 1
407 1 64 LEU H 1 64 LEU MD2 1.800 . 5.700 4.016 1.900 4.835 . 0 0 "[ . 1 . 2]" 1
408 1 64 LEU H 1 64 LEU MD1 1.800 . 5.700 2.612 2.270 4.222 . 0 0 "[ . 1 . 2]" 1
409 1 63 GLY HA3 1 64 LEU H 1.800 . 4.700 2.992 2.713 3.523 . 0 0 "[ . 1 . 2]" 1
410 1 63 GLY HA2 1 64 LEU H 1.800 . 4.700 2.259 2.139 2.423 . 0 0 "[ . 1 . 2]" 1
411 1 56 SER HB2 1 64 LEU H 1.800 . 5.600 4.817 3.991 5.587 . 0 0 "[ . 1 . 2]" 1
412 1 57 ASN HB3 1 64 LEU H 1.800 . 4.900 4.334 3.208 4.964 0.064 18 0 "[ . 1 . 2]" 1
413 1 56 SER HA 1 64 LEU H 1.800 . 5.600 5.131 4.803 5.541 . 0 0 "[ . 1 . 2]" 1
414 1 55 ILE MD 1 64 LEU H 1.800 . 5.600 5.217 3.724 5.673 0.073 12 0 "[ . 1 . 2]" 1
415 1 25 PHE H 1 64 LEU MD1 1.800 . 5.000 4.187 2.908 5.042 0.042 10 0 "[ . 1 . 2]" 1
416 1 57 ASN HD22 1 64 LEU MD1 1.800 . 6.000 5.917 5.488 6.100 0.100 14 0 "[ . 1 . 2]" 1
417 1 64 LEU HA 1 65 ALA H 1.800 . 3.800 2.304 2.145 2.607 . 0 0 "[ . 1 . 2]" 1
418 1 64 LEU HB2 1 65 ALA H 1.800 . 5.400 3.584 1.986 4.352 . 0 0 "[ . 1 . 2]" 1
419 1 64 LEU HB3 1 65 ALA H 1.800 . 5.400 3.034 2.185 3.715 . 0 0 "[ . 1 . 2]" 1
420 1 64 LEU MD2 1 65 ALA H 1.800 . 5.600 4.298 3.173 5.074 . 0 0 "[ . 1 . 2]" 1
421 1 24 ASN H 1 65 ALA H 1.800 . 6.100 4.974 4.627 5.164 . 0 0 "[ . 1 . 2]" 1
422 1 22 GLN HA 1 65 ALA H 1.800 . 5.300 4.509 4.142 5.240 . 0 0 "[ . 1 . 2]" 1
423 1 24 ASN HA 1 65 ALA H 1.800 . 4.300 3.643 3.289 3.859 . 0 0 "[ . 1 . 2]" 1
424 1 23 GLU HB2 1 65 ALA H 1.800 . 5.300 4.518 3.982 5.215 . 0 0 "[ . 1 . 2]" 1
425 1 24 ASN HB3 1 65 ALA H 1.800 . 5.900 5.877 5.334 5.975 0.075 14 0 "[ . 1 . 2]" 1
426 1 65 ALA H 1 66 SER H 1.800 . 5.900 4.283 4.103 4.435 . 0 0 "[ . 1 . 2]" 1
427 1 64 LEU H 1 65 ALA H 1.800 . 5.900 4.309 3.873 4.513 . 0 0 "[ . 1 . 2]" 1
428 1 65 ALA HA 1 66 SER H 1.800 . 3.800 2.165 2.142 2.300 . 0 0 "[ . 1 . 2]" 1
429 1 65 ALA MB 1 66 SER H 1.800 . 5.100 3.104 2.606 3.466 . 0 0 "[ . 1 . 2]" 1
430 1 55 ILE HA 1 66 SER H 1.800 . 4.300 2.810 2.499 3.174 . 0 0 "[ . 1 . 2]" 1
431 1 55 ILE MG 1 66 SER H 1.800 . 5.900 4.033 2.193 5.521 . 0 0 "[ . 1 . 2]" 1
432 1 55 ILE MD 1 66 SER H 1.800 . 5.900 3.966 2.144 5.957 0.057 11 0 "[ . 1 . 2]" 1
433 1 54 SER HA 1 66 SER H 1.800 . 5.700 5.140 4.972 5.286 . 0 0 "[ . 1 . 2]" 1
434 1 56 SER H 1 66 SER H 1.800 . 5.300 4.167 3.779 4.786 . 0 0 "[ . 1 . 2]" 1
435 1 66 SER H 1 67 THR H 1.800 . 5.300 4.313 4.052 4.537 . 0 0 "[ . 1 . 2]" 1
436 1 67 THR H 1 67 THR MG 1.800 . 5.900 2.562 1.929 3.881 . 0 0 "[ . 1 . 2]" 1
437 1 66 SER HB3 1 67 THR H 1.800 . 5.300 4.156 3.792 4.579 . 0 0 "[ . 1 . 2]" 1
438 1 66 SER HB2 1 67 THR H 1.800 . 5.300 4.233 3.469 4.575 . 0 0 "[ . 1 . 2]" 1
439 1 66 SER HA 1 67 THR H 1.800 . 3.800 2.162 2.137 2.233 . 0 0 "[ . 1 . 2]" 1
440 1 22 GLN H 1 67 THR H 1.800 . 5.600 5.144 4.910 5.604 0.004 3 0 "[ . 1 . 2]" 1
441 1 22 GLN HA 1 67 THR H 1.800 . 4.400 3.390 3.077 3.984 . 0 0 "[ . 1 . 2]" 1
442 1 20 GLY HA2 1 67 THR H 1.800 . 5.100 4.852 4.444 5.124 0.024 5 0 "[ . 1 . 2]" 1
443 1 67 THR H 1 68 LEU H 1.800 . 5.100 4.482 4.398 4.585 . 0 0 "[ . 1 . 2]" 1
444 1 68 LEU H 1 69 ASN H 1.800 . 5.300 2.408 1.895 2.968 . 0 0 "[ . 1 . 2]" 1
445 1 67 THR HA 1 68 LEU H 1.800 . 3.800 2.271 2.146 2.363 . 0 0 "[ . 1 . 2]" 1
446 1 67 THR HB 1 68 LEU H 1.800 . 5.000 3.282 2.553 4.233 . 0 0 "[ . 1 . 2]" 1
447 1 67 THR MG 1 68 LEU H 1.800 . 5.300 3.665 1.906 4.213 . 0 0 "[ . 1 . 2]" 1
448 1 53 LEU HA 1 68 LEU H 1.800 . 4.300 3.135 2.747 3.579 . 0 0 "[ . 1 . 2]" 1
449 1 52 ILE MG 1 68 LEU H 1.800 . 5.300 3.424 2.774 4.010 . 0 0 "[ . 1 . 2]" 1
450 1 53 LEU HB2 1 68 LEU H 1.800 . 5.100 4.093 2.988 4.851 . 0 0 "[ . 1 . 2]" 1
451 1 53 LEU HB3 1 68 LEU H 1.800 . 5.600 3.195 2.308 5.053 . 0 0 "[ . 1 . 2]" 1
452 1 52 ILE HA 1 68 LEU H 1.800 . 5.600 5.474 5.279 5.637 0.037 2 0 "[ . 1 . 2]" 1
453 1 20 GLY H 1 68 LEU H 1.800 . 5.900 5.128 4.576 5.584 . 0 0 "[ . 1 . 2]" 1
454 1 53 LEU HB3 1 68 LEU HB2 1.800 . 5.900 5.484 4.493 6.094 0.194 20 0 "[ . 1 . 2]" 1
455 1 68 LEU MD1 1 69 ASN H 1.800 . 5.400 4.490 3.947 5.506 0.106 19 0 "[ . 1 . 2]" 1
456 1 68 LEU HB2 1 69 ASN H 1.800 . 5.100 4.238 3.874 4.632 . 0 0 "[ . 1 . 2]" 1
457 1 68 LEU HA 1 69 ASN H 1.800 . 3.800 2.805 2.525 3.069 . 0 0 "[ . 1 . 2]" 1
458 1 20 GLY H 1 69 ASN H 1.800 . 4.900 4.227 3.718 4.752 . 0 0 "[ . 1 . 2]" 1
459 1 19 LYS HA 1 69 ASN H 1.800 . 4.900 4.847 4.489 4.940 0.040 7 0 "[ . 1 . 2]" 1
460 1 52 ILE H 1 69 ASN H 1.800 . 5.300 4.573 3.797 5.185 . 0 0 "[ . 1 . 2]" 1
461 1 51 ASP HB3 1 69 ASN H 1.800 . 5.300 4.922 4.472 5.297 . 0 0 "[ . 1 . 2]" 1
462 1 69 ASN H 1 90 VAL MG2 1.800 . 5.300 2.974 2.424 3.974 . 0 0 "[ . 1 . 2]" 1
463 1 51 ASP H 1 69 ASN HD21 1.800 . 5.900 3.614 2.516 4.634 . 0 0 "[ . 1 . 2]" 1
464 1 69 ASN HA 1 69 ASN HD21 1.800 . 5.900 3.909 3.706 4.239 . 0 0 "[ . 1 . 2]" 1
465 1 52 ILE HA 1 69 ASN HD21 1.800 . 5.900 5.011 4.072 6.042 0.142 5 0 "[ . 1 . 2]" 1
466 1 69 ASN H 1 70 GLN H 1.800 . 4.900 4.462 4.395 4.529 . 0 0 "[ . 1 . 2]" 1
467 1 70 GLN H 1 71 GLY H 1.800 . 3.900 3.165 2.866 3.377 . 0 0 "[ . 1 . 2]" 1
468 1 69 ASN HA 1 70 GLN H 1.800 . 3.800 2.527 2.467 2.544 . 0 0 "[ . 1 . 2]" 1
469 1 69 ASN HB3 1 70 GLN H 1.800 . 5.100 3.495 2.248 3.774 . 0 0 "[ . 1 . 2]" 1
470 1 70 GLN H 1 70 GLN HG2 1.800 . 5.600 3.403 2.222 4.418 . 0 0 "[ . 1 . 2]" 1
471 1 70 GLN HA 1 71 GLY H 1.800 . 3.800 2.607 2.469 2.825 . 0 0 "[ . 1 . 2]" 1
472 1 70 GLN HG2 1 71 GLY H 1.800 . 5.700 5.349 4.946 5.713 0.013 14 0 "[ . 1 . 2]" 1
473 1 70 GLN HB2 1 71 GLY H 1.800 . 5.500 4.342 4.187 4.424 . 0 0 "[ . 1 . 2]" 1
474 1 71 GLY H 1 90 VAL H 1.800 . 4.300 3.684 3.372 4.048 . 0 0 "[ . 1 . 2]" 1
475 1 71 GLY H 1 90 VAL HA 1.800 . 5.300 5.066 4.623 5.328 0.028 18 0 "[ . 1 . 2]" 1
476 1 71 GLY H 1 89 LYS HA 1.800 . 5.900 5.359 5.026 5.783 . 0 0 "[ . 1 . 2]" 1
477 1 71 GLY H 1 90 VAL HB 1.800 . 4.900 3.477 2.138 4.928 0.028 10 0 "[ . 1 . 2]" 1
478 1 71 GLY H 1 90 VAL MG2 1.800 . 4.900 3.900 3.145 4.584 . 0 0 "[ . 1 . 2]" 1
479 1 71 GLY H 1 91 THR MG 1.800 . 5.500 5.488 5.294 5.575 0.075 6 0 "[ . 1 . 2]" 1
480 1 71 GLY H 1 91 THR HA 1.800 . 4.300 4.296 4.215 4.413 0.113 5 0 "[ . 1 . 2]" 1
481 1 71 GLY H 1 72 ASN HA 1.800 . 5.300 4.676 4.511 4.811 . 0 0 "[ . 1 . 2]" 1
482 1 71 GLY H 1 89 LYS HD2 1.800 . 5.900 5.685 4.663 5.964 0.064 4 0 "[ . 1 . 2]" 1
483 1 71 GLY HA3 1 72 ASN H 1.800 . 4.600 2.261 2.137 2.462 . 0 0 "[ . 1 . 2]" 1
484 1 71 GLY HA2 1 72 ASN H 1.800 . 4.300 2.950 2.669 3.263 . 0 0 "[ . 1 . 2]" 1
485 1 72 ASN HD22 1 89 LYS HD2 1.800 . 4.000 3.677 3.270 4.120 0.120 14 0 "[ . 1 . 2]" 1
486 1 72 ASN H 1 72 ASN QD 1.800 . 5.000 3.435 2.447 4.856 . 0 0 "[ . 1 . 2]" 1
487 1 72 ASN H 1 89 LYS HA 1.800 . 5.100 4.885 4.690 5.101 0.001 14 0 "[ . 1 . 2]" 1
488 1 72 ASN H 1 89 LYS HD2 1.800 . 4.100 4.098 3.919 4.188 0.088 5 0 "[ . 1 . 2]" 1
489 1 72 ASN HA 1 73 VAL H 1.800 . 3.800 2.171 2.150 2.215 . 0 0 "[ . 1 . 2]" 1
490 1 72 ASN HB2 1 73 VAL H 1.800 . 5.400 3.514 3.076 4.276 . 0 0 "[ . 1 . 2]" 1
491 1 72 ASN HB3 1 73 VAL H 1.800 . 5.400 3.835 3.482 4.188 . 0 0 "[ . 1 . 2]" 1
492 1 73 VAL H 1 89 LYS HA 1.800 . 4.300 2.888 2.720 3.066 . 0 0 "[ . 1 . 2]" 1
493 1 73 VAL H 1 89 LYS HB2 1.800 . 5.300 4.817 4.070 5.522 0.222 9 0 "[ . 1 . 2]" 1
494 1 73 VAL H 1 88 PHE H 1.800 . 3.900 3.807 3.501 3.927 0.027 6 0 "[ . 1 . 2]" 1
495 1 73 VAL H 1 88 PHE HB2 1.800 . 5.600 4.494 3.530 5.654 0.054 13 0 "[ . 1 . 2]" 1
496 1 73 VAL H 1 87 ASP HA 1.800 . 5.900 5.574 5.266 5.789 . 0 0 "[ . 1 . 2]" 1
497 1 73 VAL H 1 74 LYS H 1.800 . 4.900 4.459 4.392 4.502 . 0 0 "[ . 1 . 2]" 1
498 1 72 ASN H 1 73 VAL H 1.800 . 4.900 4.411 4.329 4.485 . 0 0 "[ . 1 . 2]" 1
499 1 73 VAL HA 1 74 LYS H 1.800 . 3.800 2.301 2.191 2.454 . 0 0 "[ . 1 . 2]" 1
500 1 73 VAL HB 1 74 LYS H 1.800 . 5.000 3.190 2.291 4.032 . 0 0 "[ . 1 . 2]" 1
501 1 73 VAL MG2 1 74 LYS H 1.800 . 5.700 3.629 1.880 4.038 . 0 0 "[ . 1 . 2]" 1
502 1 49 ASN H 1 74 LYS H 1.800 . 4.900 3.807 3.490 4.150 . 0 0 "[ . 1 . 2]" 1
503 1 74 LYS HA 1 75 VAL H 1.800 . 3.800 2.148 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
504 1 74 LYS HB2 1 75 VAL H 1.800 . 4.500 4.469 4.363 4.570 0.070 4 0 "[ . 1 . 2]" 1
505 1 75 VAL H 1 75 VAL MG2 1.800 . 5.700 2.509 2.373 2.754 . 0 0 "[ . 1 . 2]" 1
506 1 75 VAL H 1 85 SER HA 1.800 . 5.900 5.648 5.243 5.909 0.009 8 0 "[ . 1 . 2]" 1
507 1 75 VAL H 1 86 THR HA 1.800 . 5.700 5.211 4.978 5.479 . 0 0 "[ . 1 . 2]" 1
508 1 75 VAL H 1 86 THR H 1.800 . 4.200 3.730 3.439 4.002 . 0 0 "[ . 1 . 2]" 1
509 1 75 VAL H 1 86 THR HB 1.800 . 4.200 3.823 3.295 4.201 0.001 16 0 "[ . 1 . 2]" 1
510 1 75 VAL H 1 87 ASP HA 1.800 . 4.000 3.217 2.854 3.538 . 0 0 "[ . 1 . 2]" 1
511 1 75 VAL H 1 87 ASP HB2 1.800 . 5.500 5.250 4.605 5.572 0.072 9 0 "[ . 1 . 2]" 1
512 1 74 LYS H 1 75 VAL H 1.800 . 5.200 4.288 4.145 4.417 . 0 0 "[ . 1 . 2]" 1
513 1 75 VAL HA 1 76 THR H 1.800 . 3.800 2.150 2.139 2.206 . 0 0 "[ . 1 . 2]" 1
514 1 75 VAL HB 1 76 THR H 1.800 . 5.000 4.223 4.002 4.303 . 0 0 "[ . 1 . 2]" 1
515 1 76 THR H 1 76 THR MG 1.800 . 5.700 3.861 3.475 3.995 . 0 0 "[ . 1 . 2]" 1
516 1 75 VAL MG2 1 76 THR H 1.800 . 5.700 4.050 3.887 4.190 . 0 0 "[ . 1 . 2]" 1
517 1 47 SER HA 1 76 THR H 1.800 . 4.300 3.548 3.065 3.946 . 0 0 "[ . 1 . 2]" 1
518 1 47 SER HB2 1 76 THR H 1.800 . 5.600 5.444 4.864 5.635 0.035 17 0 "[ . 1 . 2]" 1
519 1 46 ASP HB2 1 76 THR H 1.800 . 5.300 4.492 3.925 5.145 . 0 0 "[ . 1 . 2]" 1
520 1 46 ASP HA 1 76 THR H 1.800 . 5.600 4.901 4.724 5.204 . 0 0 "[ . 1 . 2]" 1
521 1 75 VAL H 1 76 THR H 1.800 . 5.100 4.407 4.308 4.541 . 0 0 "[ . 1 . 2]" 1
522 1 76 THR MG 1 84 GLY H 1.800 . 4.900 4.249 3.662 4.898 . 0 0 "[ . 1 . 2]" 1
523 1 76 THR MG 1 77 ALA H 1.800 . 5.300 2.664 2.035 3.354 . 0 0 "[ . 1 . 2]" 1
524 1 76 THR HB 1 77 ALA H 1.800 . 5.000 3.602 3.013 4.006 . 0 0 "[ . 1 . 2]" 1
525 1 76 THR HA 1 77 ALA H 1.800 . 4.000 2.192 2.142 2.278 . 0 0 "[ . 1 . 2]" 1
526 1 77 ALA H 1 85 SER HA 1.800 . 4.500 3.306 2.988 3.609 . 0 0 "[ . 1 . 2]" 1
527 1 77 ALA H 1 85 SER HB3 1.800 . 4.900 4.768 4.240 4.928 0.028 19 0 "[ . 1 . 2]" 1
528 1 77 ALA H 1 84 GLY HA3 1.800 . 5.500 4.460 4.092 5.065 . 0 0 "[ . 1 . 2]" 1
529 1 77 ALA H 1 84 GLY HA2 1.800 . 5.500 5.174 4.920 5.507 0.007 19 0 "[ . 1 . 2]" 1
530 1 77 ALA H 1 84 GLY H 1.800 . 4.000 3.499 3.402 3.607 . 0 0 "[ . 1 . 2]" 1
531 1 77 ALA H 1 83 GLN HB2 1.800 . 5.500 4.720 4.405 5.096 . 0 0 "[ . 1 . 2]" 1
532 1 77 ALA H 1 83 GLN HA 1.800 . 5.500 5.536 5.375 5.595 0.095 18 0 "[ . 1 . 2]" 1
533 1 77 ALA H 1 78 SER H 1.800 . 5.300 4.392 4.279 4.460 . 0 0 "[ . 1 . 2]" 1
534 1 77 ALA HA 1 78 SER H 1.800 . 3.800 2.288 2.170 2.452 . 0 0 "[ . 1 . 2]" 1
535 1 44 THR HB 1 78 SER H 1.800 . 5.700 3.578 1.947 5.229 . 0 0 "[ . 1 . 2]" 1
536 1 44 THR HA 1 78 SER H 1.800 . 5.400 4.816 4.438 5.050 . 0 0 "[ . 1 . 2]" 1
537 1 44 THR MG 1 78 SER H 1.800 . 5.000 4.428 2.536 5.021 0.021 11 0 "[ . 1 . 2]" 1
538 1 43 VAL HA 1 78 SER H 1.800 . 5.900 4.235 3.881 4.985 . 0 0 "[ . 1 . 2]" 1
539 1 46 ASP H 1 78 SER H 1.800 . 5.900 5.754 5.146 5.941 0.041 15 0 "[ . 1 . 2]" 1
540 1 78 SER HA 1 79 ILE H 1.800 . 3.800 2.189 2.181 2.199 . 0 0 "[ . 1 . 2]" 1
541 1 78 SER HB2 1 79 ILE H 1.800 . 5.400 4.110 3.073 4.387 . 0 0 "[ . 1 . 2]" 1
542 1 78 SER HB3 1 79 ILE H 1.800 . 5.400 3.502 3.076 4.242 . 0 0 "[ . 1 . 2]" 1
543 1 79 ILE H 1 82 ILE H 1.800 . 5.900 5.016 4.193 5.982 0.082 15 0 "[ . 1 . 2]" 1
544 1 79 ILE H 1 80 GLY H 1.800 . 4.900 4.217 4.010 4.412 . 0 0 "[ . 1 . 2]" 1
545 1 79 ILE H 1 81 GLY H 1.800 . 5.500 4.850 4.553 5.208 . 0 0 "[ . 1 . 2]" 1
546 1 79 ILE H 1 83 GLN HA 1.800 . 4.300 3.032 2.742 3.315 . 0 0 "[ . 1 . 2]" 1
547 1 79 ILE H 1 83 GLN HB3 1.800 . 4.700 4.041 2.493 4.744 0.044 15 0 "[ . 1 . 2]" 1
548 1 43 VAL MG2 1 79 ILE H 1.800 . 5.700 4.189 3.245 5.754 0.054 3 0 "[ . 1 . 2]" 1
549 1 44 THR H 1 79 ILE MG 1.800 . 5.100 5.105 4.738 5.228 0.128 8 0 "[ . 1 . 2]" 1
550 1 80 GLY H 1 81 GLY H 1.800 . 6.000 4.130 2.975 4.332 . 0 0 "[ . 1 . 2]" 1
551 1 79 ILE HA 1 80 GLY H 1.800 . 3.800 2.168 2.143 2.280 . 0 0 "[ . 1 . 2]" 1
552 1 79 ILE HB 1 80 GLY H 1.800 . 5.300 4.197 4.082 4.327 . 0 0 "[ . 1 . 2]" 1
553 1 79 ILE MD 1 80 GLY H 1.800 . 5.600 3.795 1.920 4.884 . 0 0 "[ . 1 . 2]" 1
554 1 79 ILE MG 1 80 GLY H 1.800 . 5.400 3.862 2.230 4.237 . 0 0 "[ . 1 . 2]" 1
555 1 41 ASP HA 1 80 GLY H 1.800 . 5.100 5.028 4.585 5.176 0.076 15 0 "[ . 1 . 2]" 1
556 1 81 GLY H 1 82 ILE HB 1.800 . 5.900 4.706 4.484 5.933 0.033 19 0 "[ . 1 . 2]" 1
557 1 79 ILE HA 1 81 GLY H 1.800 . 6.000 5.207 4.160 5.462 . 0 0 "[ . 1 . 2]" 1
558 1 81 GLY H 1 82 ILE MG 1.800 . 6.000 5.679 5.482 6.297 0.297 19 0 "[ . 1 . 2]" 1
559 1 81 GLY H 1 82 ILE MD 1.800 . 6.000 5.047 2.820 6.187 0.187 19 0 "[ . 1 . 2]" 1
560 1 8 ILE MG 1 81 GLY H 1.800 . 4.300 3.567 3.320 4.058 . 0 0 "[ . 1 . 2]" 1
561 1 81 GLY HA2 1 82 ILE H 1.800 . 4.600 3.489 2.235 3.570 . 0 0 "[ . 1 . 2]" 1
562 1 81 GLY HA3 1 82 ILE H 1.800 . 4.300 2.574 2.351 2.967 . 0 0 "[ . 1 . 2]" 1
563 1 82 ILE H 1 82 ILE MG 1.800 . 5.300 3.802 3.755 4.021 . 0 0 "[ . 1 . 2]" 1
564 1 5 LEU MD1 1 82 ILE H 1.800 . 5.900 4.148 2.998 5.643 . 0 0 "[ . 1 . 2]" 1
565 1 82 ILE HA 1 83 GLN H 1.800 . 3.800 2.291 2.236 2.314 . 0 0 "[ . 1 . 2]" 1
566 1 82 ILE MG 1 83 GLN H 1.800 . 6.300 2.032 1.901 2.186 . 0 0 "[ . 1 . 2]" 1
567 1 8 ILE MG 1 83 GLN H 1.800 . 5.200 5.143 4.500 5.259 0.059 5 0 "[ . 1 . 2]" 1
568 1 10 VAL MG2 1 83 GLN H 1.800 . 5.900 5.723 5.409 5.930 0.030 1 0 "[ . 1 . 2]" 1
569 1 83 GLN HB2 1 83 GLN HE21 1.800 . 6.200 3.212 2.081 4.440 . 0 0 "[ . 1 . 2]" 1
570 1 83 GLN HB3 1 83 GLN HE21 1.800 . 6.200 2.987 1.950 4.146 . 0 0 "[ . 1 . 2]" 1
571 1 83 GLN HA 1 83 GLN HE21 1.800 . 6.200 4.907 4.437 5.820 . 0 0 "[ . 1 . 2]" 1
572 1 78 SER HB2 1 83 GLN HE21 1.800 . 6.200 5.208 2.943 6.167 . 0 0 "[ . 1 . 2]" 1
573 1 83 GLN HA 1 84 GLY H 1.800 . 3.800 2.393 2.331 2.405 . 0 0 "[ . 1 . 2]" 1
574 1 83 GLN HB3 1 84 GLY H 1.800 . 5.500 3.901 3.799 4.000 . 0 0 "[ . 1 . 2]" 1
575 1 83 GLN HB2 1 84 GLY H 1.800 . 5.300 2.539 2.467 2.688 . 0 0 "[ . 1 . 2]" 1
576 1 77 ALA HA 1 84 GLY H 1.800 . 5.700 5.072 4.900 5.380 . 0 0 "[ . 1 . 2]" 1
577 1 77 ALA MB 1 84 GLY H 1.800 . 5.800 3.842 3.489 4.109 . 0 0 "[ . 1 . 2]" 1
578 1 78 SER HA 1 84 GLY H 1.800 . 4.300 3.187 2.914 3.634 . 0 0 "[ . 1 . 2]" 1
579 1 76 THR HA 1 84 GLY H 1.800 . 5.300 5.260 5.094 5.351 0.051 13 0 "[ . 1 . 2]" 1
580 1 83 GLN H 1 84 GLY H 1.800 . 5.300 4.450 4.407 4.511 . 0 0 "[ . 1 . 2]" 1
581 1 84 GLY H 1 85 SER HA 1.800 . 5.300 4.858 4.714 5.040 . 0 0 "[ . 1 . 2]" 1
582 1 10 VAL MG2 1 84 GLY H 1.800 . 5.300 4.565 4.129 5.169 . 0 0 "[ . 1 . 2]" 1
583 1 84 GLY HA2 1 85 SER H 1.800 . 4.300 2.429 2.227 2.660 . 0 0 "[ . 1 . 2]" 1
584 1 84 GLY HA3 1 85 SER H 1.800 . 4.300 2.715 2.469 2.982 . 0 0 "[ . 1 . 2]" 1
585 1 12 PRO HB3 1 85 SER H 1.800 . 5.900 4.690 3.608 5.825 . 0 0 "[ . 1 . 2]" 1
586 1 85 SER HA 1 86 THR H 1.800 . 3.800 2.280 2.180 2.340 . 0 0 "[ . 1 . 2]" 1
587 1 85 SER HB2 1 86 THR H 1.800 . 5.300 2.835 2.609 3.160 . 0 0 "[ . 1 . 2]" 1
588 1 75 VAL HB 1 86 THR H 1.800 . 5.500 3.689 2.557 4.278 . 0 0 "[ . 1 . 2]" 1
589 1 76 THR HA 1 86 THR H 1.800 . 4.300 3.337 2.951 3.873 . 0 0 "[ . 1 . 2]" 1
590 1 75 VAL HA 1 86 THR H 1.800 . 5.600 4.998 4.522 5.333 . 0 0 "[ . 1 . 2]" 1
591 1 76 THR MG 1 86 THR H 1.800 . 5.000 3.813 2.834 4.732 . 0 0 "[ . 1 . 2]" 1
592 1 75 VAL MG2 1 86 THR H 1.800 . 5.200 4.965 4.079 5.226 0.026 10 0 "[ . 1 . 2]" 1
593 1 74 LYS HD2 1 86 THR HB 1.800 . 6.000 5.811 5.302 6.010 0.010 20 0 "[ . 1 . 2]" 1
594 1 13 THR HB 1 86 THR HB 1.800 . 6.000 5.990 5.906 6.036 0.036 12 0 "[ . 1 . 2]" 1
595 1 86 THR HA 1 87 ASP H 1.800 . 3.800 2.289 2.182 2.311 . 0 0 "[ . 1 . 2]" 1
596 1 86 THR HB 1 87 ASP H 1.800 . 4.800 3.504 3.321 4.103 . 0 0 "[ . 1 . 2]" 1
597 1 86 THR MG 1 87 ASP H 1.800 . 4.900 2.114 1.994 2.452 . 0 0 "[ . 1 . 2]" 1
598 1 87 ASP H 1 88 PHE H 1.800 . 4.900 4.354 4.302 4.446 . 0 0 "[ . 1 . 2]" 1
599 1 86 THR H 1 87 ASP H 1.800 . 5.100 4.376 4.274 4.392 . 0 0 "[ . 1 . 2]" 1
600 1 87 ASP HA 1 88 PHE H 1.800 . 3.800 2.147 2.142 2.161 . 0 0 "[ . 1 . 2]" 1
601 1 87 ASP HB2 1 88 PHE H 1.800 . 5.600 4.156 4.038 4.223 . 0 0 "[ . 1 . 2]" 1
602 1 74 LYS H 1 88 PHE H 1.800 . 5.900 5.156 4.837 5.296 . 0 0 "[ . 1 . 2]" 1
603 1 73 VAL MG2 1 88 PHE H 1.800 . 6.000 4.226 2.952 5.520 . 0 0 "[ . 1 . 2]" 1
604 1 73 VAL HB 1 88 PHE H 1.800 . 5.900 4.948 4.107 5.901 0.001 12 0 "[ . 1 . 2]" 1
605 1 74 LYS HA 1 88 PHE H 1.800 . 4.300 3.288 2.906 3.459 . 0 0 "[ . 1 . 2]" 1
606 1 72 ASN HA 1 88 PHE H 1.800 . 5.400 5.389 4.951 5.506 0.106 5 0 "[ . 1 . 2]" 1
607 1 72 ASN HB2 1 88 PHE H 1.800 . 5.900 5.764 5.390 6.107 0.207 14 0 "[ . 1 . 2]" 1
608 1 88 PHE H 1 89 LYS H 1.800 . 4.900 4.363 4.156 4.419 . 0 0 "[ . 1 . 2]" 1
609 1 14 ASN HA 1 88 PHE HB3 1.800 . 6.300 6.070 4.997 6.372 0.072 15 0 "[ . 1 . 2]" 1
610 1 16 THR HB 1 88 PHE HA 1.800 . 5.300 5.351 5.323 5.439 0.139 15 0 "[ . 1 . 2]" 1
611 1 88 PHE HA 1 89 LYS H 1.800 . 3.800 2.193 2.140 2.228 . 0 0 "[ . 1 . 2]" 1
612 1 88 PHE HB2 1 89 LYS H 1.800 . 5.300 4.001 2.984 4.532 . 0 0 "[ . 1 . 2]" 1
613 1 88 PHE HB3 1 89 LYS H 1.800 . 5.300 3.440 2.915 4.439 . 0 0 "[ . 1 . 2]" 1
614 1 16 THR MG 1 89 LYS H 1.800 . 4.900 4.706 3.622 4.888 . 0 0 "[ . 1 . 2]" 1
615 1 16 THR HB 1 89 LYS H 1.800 . 4.900 3.638 3.480 3.832 . 0 0 "[ . 1 . 2]" 1
616 1 72 ASN HA 1 89 LYS H 1.800 . 5.900 4.908 4.692 5.039 . 0 0 "[ . 1 . 2]" 1
617 1 89 LYS HA 1 90 VAL H 1.800 . 3.800 2.149 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
618 1 89 LYS HB2 1 90 VAL H 1.800 . 5.000 4.435 4.229 4.588 . 0 0 "[ . 1 . 2]" 1
619 1 71 GLY HA3 1 90 VAL H 1.800 . 5.600 5.103 4.922 5.244 . 0 0 "[ . 1 . 2]" 1
620 1 72 ASN HA 1 90 VAL H 1.800 . 4.200 2.907 2.476 3.162 . 0 0 "[ . 1 . 2]" 1
621 1 70 GLN HA 1 90 VAL H 1.800 . 5.400 5.287 5.058 5.448 0.048 14 0 "[ . 1 . 2]" 1
622 1 90 VAL H 1 91 THR H 1.800 . 5.300 4.416 4.246 4.474 . 0 0 "[ . 1 . 2]" 1
623 1 17 VAL H 1 90 VAL H 1.800 . 5.300 4.667 4.514 4.863 . 0 0 "[ . 1 . 2]" 1
624 1 90 VAL H 1 91 THR HA 1.800 . 5.300 5.118 4.972 5.262 . 0 0 "[ . 1 . 2]" 1
625 1 90 VAL HA 1 91 THR H 1.800 . 3.800 2.149 2.142 2.166 . 0 0 "[ . 1 . 2]" 1
626 1 90 VAL HB 1 91 THR H 1.800 . 5.300 4.127 3.903 4.364 . 0 0 "[ . 1 . 2]" 1
627 1 90 VAL MG2 1 91 THR H 1.800 . 6.200 3.705 2.668 4.329 . 0 0 "[ . 1 . 2]" 1
628 1 17 VAL HA 1 91 THR H 1.800 . 5.900 5.306 5.048 5.643 . 0 0 "[ . 1 . 2]" 1
629 1 18 ALA MB 1 91 THR H 1.800 . 5.600 4.689 4.425 4.922 . 0 0 "[ . 1 . 2]" 1
630 1 19 LYS HA 1 91 THR H 1.800 . 5.100 4.168 3.708 4.775 . 0 0 "[ . 1 . 2]" 1
631 1 91 THR HA 1 92 GLN H 1.800 . 3.800 2.456 2.191 2.517 . 0 0 "[ . 1 . 2]" 1
632 1 91 THR HB 1 92 GLN H 1.800 . 4.600 3.017 2.729 3.992 . 0 0 "[ . 1 . 2]" 1
633 1 91 THR MG 1 92 GLN H 1.800 . 5.600 2.155 1.917 3.962 . 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 8
_Distance_constraint_stats_list.Viol_count 160
_Distance_constraint_stats_list.Viol_total 147.121
_Distance_constraint_stats_list.Viol_max 0.118
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0460
_Distance_constraint_stats_list.Viol_average_violations_only 0.0460
_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 23 GLU 3.404 0.101 15 0 "[ . 1 . 2]"
1 54 SER 3.952 0.118 5 0 "[ . 1 . 2]"
1 65 ALA 3.404 0.101 15 0 "[ . 1 . 2]"
1 66 SER 3.952 0.118 5 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 23 GLU H 1 65 ALA O 2.000 . 2.000 2.044 2.014 2.077 0.077 18 0 "[ . 1 . 2]" 2
2 1 23 GLU N 1 65 ALA O 3.000 3.000 3.000 2.964 2.926 3.011 0.074 8 0 "[ . 1 . 2]" 2
3 1 23 GLU O 1 65 ALA H 2.000 . 2.000 2.036 1.993 2.075 0.075 10 0 "[ . 1 . 2]" 2
4 1 23 GLU O 1 65 ALA N 3.000 3.000 3.000 2.947 2.899 2.985 0.101 15 0 "[ . 1 . 2]" 2
5 1 54 SER O 1 66 SER H 2.000 . 2.000 2.045 1.989 2.109 0.109 14 0 "[ . 1 . 2]" 2
6 1 54 SER O 1 66 SER N 3.000 3.000 3.000 2.943 2.882 3.002 0.118 5 0 "[ . 1 . 2]" 2
7 1 54 SER H 1 66 SER O 2.000 . 2.000 2.050 1.975 2.093 0.093 12 0 "[ . 1 . 2]" 2
8 1 54 SER N 1 66 SER O 3.000 3.000 3.000 2.963 2.924 3.028 0.076 15 0 "[ . 1 . 2]" 2
stop_
save_