NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
523149 |
2l5v   |
17286 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l5v
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 835
_Distance_constraint_stats_list.Viol_count 664
_Distance_constraint_stats_list.Viol_total 995.089
_Distance_constraint_stats_list.Viol_max 0.432
_Distance_constraint_stats_list.Viol_rms 0.0196
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0749
_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 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.593 0.063 6 0 "[ . 1 . 2]"
1 5 ILE 1.771 0.277 18 0 "[ . 1 . 2]"
1 6 GLN 0.449 0.101 18 0 "[ . 1 . 2]"
1 7 LEU 1.964 0.277 18 0 "[ . 1 . 2]"
1 8 SER 0.114 0.101 18 0 "[ . 1 . 2]"
1 9 ASP 0.542 0.265 7 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.048 0.048 10 0 "[ . 1 . 2]"
1 14 LEU 2.224 0.254 7 0 "[ . 1 . 2]"
1 15 ALA 2.272 0.254 7 0 "[ . 1 . 2]"
1 16 THR 0.318 0.207 15 0 "[ . 1 . 2]"
1 17 MET 0.318 0.207 15 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.079 0.064 15 0 "[ . 1 . 2]"
1 22 GLY 0.079 0.064 15 0 "[ . 1 . 2]"
1 23 PRO 0.005 0.005 13 0 "[ . 1 . 2]"
1 24 ALA 0.005 0.005 13 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.321 0.069 8 0 "[ . 1 . 2]"
1 28 GLN 1.705 0.160 4 0 "[ . 1 . 2]"
1 29 VAL 1.620 0.195 12 0 "[ . 1 . 2]"
1 30 ASP 0.039 0.032 12 0 "[ . 1 . 2]"
1 31 LEU 0.140 0.043 18 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.146 0.090 4 0 "[ . 1 . 2]"
1 35 LEU 3.278 0.265 20 0 "[ . 1 . 2]"
1 36 THR 0.212 0.113 1 0 "[ . 1 . 2]"
1 37 PRO 0.532 0.126 7 0 "[ . 1 . 2]"
1 38 GLU 0.811 0.183 4 0 "[ . 1 . 2]"
1 39 ILE 4.767 0.265 20 0 "[ . 1 . 2]"
1 40 MET 1.011 0.123 14 0 "[ . 1 . 2]"
1 41 ALA 0.539 0.126 7 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 3.435 0.235 15 0 "[ . 1 . 2]"
1 44 LEU 0.715 0.160 18 0 "[ . 1 . 2]"
1 45 ALA 0.313 0.099 20 0 "[ . 1 . 2]"
1 46 ASN 0.779 0.175 3 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 3.378 0.362 13 0 "[ . 1 . 2]"
1 49 VAL 1.426 0.173 1 0 "[ . 1 . 2]"
1 50 GLN 0.614 0.173 1 0 "[ . 1 . 2]"
1 51 GLU 0.132 0.084 19 0 "[ . 1 . 2]"
1 52 ARG 0.364 0.148 10 0 "[ . 1 . 2]"
1 53 LEU 0.108 0.108 8 0 "[ . 1 . 2]"
1 54 LEU 0.314 0.133 18 0 "[ . 1 . 2]"
1 55 PRO 0.205 0.104 11 0 "[ . 1 . 2]"
1 56 TYR 3.081 0.432 7 0 "[ . 1 . 2]"
1 57 LEU 2.294 0.285 1 0 "[ . 1 . 2]"
1 58 PRO 0.128 0.068 8 0 "[ . 1 . 2]"
1 59 SER 0.144 0.068 8 0 "[ . 1 . 2]"
1 60 GLY 0.359 0.170 13 0 "[ . 1 . 2]"
1 61 GLU 0.912 0.237 20 0 "[ . 1 . 2]"
1 62 SER 1.879 0.285 1 0 "[ . 1 . 2]"
1 63 LEU 0.926 0.260 11 0 "[ . 1 . 2]"
1 64 PRO 0.129 0.088 12 0 "[ . 1 . 2]"
1 65 GLN 0.503 0.133 5 0 "[ . 1 . 2]"
1 66 THR 0.503 0.133 5 0 "[ . 1 . 2]"
1 67 ALA 0.358 0.110 16 0 "[ . 1 . 2]"
1 68 ASP 0.358 0.110 16 0 "[ . 1 . 2]"
1 69 GLU 0.129 0.088 12 0 "[ . 1 . 2]"
1 70 ILE 2.933 0.290 8 0 "[ . 1 . 2]"
1 71 GLN 0.778 0.183 4 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLN 1.322 0.365 8 0 "[ . 1 . 2]"
1 79 PHE 0.234 0.143 18 0 "[ . 1 . 2]"
1 80 GLN 1.334 0.365 8 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 2.660 0.290 8 0 "[ . 1 . 2]"
1 83 LEU 1.294 0.143 18 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 SER 0.042 0.032 11 0 "[ . 1 . 2]"
1 88 ALA 0.007 0.007 7 0 "[ . 1 . 2]"
1 89 ALA 0.927 0.432 7 0 "[ . 1 . 2]"
1 90 LEU 1.304 0.168 14 0 "[ . 1 . 2]"
1 91 ALA 1.369 0.270 4 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.874 0.168 14 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 1.776 0.280 5 0 "[ . 1 . 2]"
1 99 MET 1.694 0.229 12 0 "[ . 1 . 2]"
1 100 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLN 2.471 0.362 13 0 "[ . 1 . 2]"
1 102 PHE 1.665 0.200 18 0 "[ . 1 . 2]"
1 103 GLY 0.012 0.012 15 0 "[ . 1 . 2]"
1 104 LEU 0.063 0.035 7 0 "[ . 1 . 2]"
1 105 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ALA 0.133 0.035 10 0 "[ . 1 . 2]"
1 107 GLU 1.798 0.181 2 0 "[ . 1 . 2]"
1 108 ALA 1.868 0.229 12 0 "[ . 1 . 2]"
1 109 VAL 0.951 0.111 4 0 "[ . 1 . 2]"
1 110 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ALA 1.300 0.242 3 0 "[ . 1 . 2]"
1 112 ALA 0.154 0.087 7 0 "[ . 1 . 2]"
1 113 ASN 0.280 0.093 7 0 "[ . 1 . 2]"
1 114 LYS 0.417 0.164 20 0 "[ . 1 . 2]"
1 115 GLY 1.781 0.270 4 0 "[ . 1 . 2]"
1 116 ASP 0.133 0.089 9 0 "[ . 1 . 2]"
1 117 VAL 1.999 0.242 3 0 "[ . 1 . 2]"
1 118 GLU 0.327 0.195 12 0 "[ . 1 . 2]"
1 119 ALA 0.524 0.125 9 0 "[ . 1 . 2]"
1 120 PHE 0.143 0.087 7 0 "[ . 1 . 2]"
1 121 ALA 1.030 0.174 3 0 "[ . 1 . 2]"
1 122 LYS 0.420 0.121 11 0 "[ . 1 . 2]"
1 123 ALA 1.430 0.181 2 0 "[ . 1 . 2]"
1 124 MET 1.137 0.201 7 0 "[ . 1 . 2]"
1 125 GLN 0.295 0.126 17 0 "[ . 1 . 2]"
1 126 ASN 0.146 0.090 4 0 "[ . 1 . 2]"
1 127 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ALA 1.355 0.201 7 0 "[ . 1 . 2]"
1 129 LYS 0.768 0.100 6 0 "[ . 1 . 2]"
1 130 PRO 0.115 0.067 12 0 "[ . 1 . 2]"
1 131 GLU 0.152 0.067 12 0 "[ . 1 . 2]"
1 132 GLN 0.037 0.037 2 0 "[ . 1 . 2]"
1 133 LYS 0.054 0.054 1 0 "[ . 1 . 2]"
1 134 GLU 0.118 0.054 1 0 "[ . 1 . 2]"
1 135 GLY 0.025 0.025 3 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ASP 0.077 0.037 10 0 "[ . 1 . 2]"
1 140 LYS 1.961 0.267 8 0 "[ . 1 . 2]"
1 141 LYS 0.328 0.120 3 0 "[ . 1 . 2]"
1 142 ASP 0.987 0.267 8 0 "[ . 1 . 2]"
1 143 GLU 0.069 0.043 11 0 "[ . 1 . 2]"
1 145 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 MET 0.086 0.045 15 0 "[ . 1 . 2]"
1 148 SER 0.214 0.051 16 0 "[ . 1 . 2]"
1 149 LEU 0.128 0.051 16 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 66 THR HB 1 67 ALA H 4.500 . 4.500 2.807 2.164 3.335 . 0 0 "[ . 1 . 2]" 1
2 1 66 THR HB 1 68 ASP H . . 4.500 2.666 2.397 3.031 . 0 0 "[ . 1 . 2]" 1
3 1 66 THR HB 1 68 ASP HA 6.000 . 6.000 5.216 4.879 5.707 . 0 0 "[ . 1 . 2]" 1
4 1 66 THR HB 1 68 ASP QB 6.000 . 6.000 3.169 2.800 3.683 . 0 0 "[ . 1 . 2]" 1
5 1 70 ILE HA 1 73 THR HB 6.000 . 6.000 4.356 3.227 5.286 . 0 0 "[ . 1 . 2]" 1
6 1 36 THR HB 1 38 GLU H 6.000 . 6.000 2.985 2.496 3.569 . 0 0 "[ . 1 . 2]" 1
7 1 36 THR HB 1 37 PRO QD 4.500 . 4.500 1.977 1.788 2.320 0.012 16 0 "[ . 1 . 2]" 1
8 1 109 VAL HA 1 110 GLU H 4.500 . 4.500 3.526 3.501 3.555 . 0 0 "[ . 1 . 2]" 1
9 1 106 ALA HA 1 109 VAL HA 6.000 . 6.000 5.521 5.172 5.733 . 0 0 "[ . 1 . 2]" 1
10 1 99 MET QB 1 109 VAL HA 4.500 . 4.500 2.420 2.004 3.051 . 0 0 "[ . 1 . 2]" 1
11 1 49 VAL HA 1 50 GLN H . . 5.500 3.481 3.434 3.534 . 0 0 "[ . 1 . 2]" 1
12 1 49 VAL HA 1 53 LEU H 6.000 . 6.000 4.887 3.978 5.810 . 0 0 "[ . 1 . 2]" 1
13 1 49 VAL HA 1 52 ARG H 4.500 . 4.500 3.498 3.110 3.889 . 0 0 "[ . 1 . 2]" 1
14 1 46 ASN QB 1 49 VAL HA 6.000 . 6.000 4.912 4.406 5.196 . 0 0 "[ . 1 . 2]" 1
15 1 49 VAL HA 1 52 ARG QG 4.500 . 4.500 3.463 2.520 4.270 . 0 0 "[ . 1 . 2]" 1
16 1 49 VAL HA 1 95 LEU QD 6.000 . 6.000 2.851 2.075 3.493 . 0 0 "[ . 1 . 2]" 1
17 1 117 VAL HA 1 121 ALA H 4.500 . 4.500 4.197 3.903 4.469 . 0 0 "[ . 1 . 2]" 1
18 1 117 VAL HA 1 119 ALA H . . 5.500 4.371 3.956 4.699 . 0 0 "[ . 1 . 2]" 1
19 1 117 VAL HA 1 120 PHE QD 6.000 . 6.000 4.360 3.850 5.066 . 0 0 "[ . 1 . 2]" 1
20 1 111 ALA HA 1 117 VAL HA 6.000 . 6.000 5.919 5.146 6.242 0.242 3 0 "[ . 1 . 2]" 1
21 1 117 VAL HA 1 120 PHE HA 6.000 . 6.000 5.204 4.679 5.711 . 0 0 "[ . 1 . 2]" 1
22 1 117 VAL HA 1 120 PHE QB 4.500 . 4.500 2.578 2.125 3.162 . 0 0 "[ . 1 . 2]" 1
23 1 90 LEU QD 1 117 VAL HA 4.500 . 4.500 2.694 2.214 3.403 . 0 0 "[ . 1 . 2]" 1
24 1 37 PRO HA 1 38 GLU H 6.000 . 6.000 3.556 3.458 3.623 . 0 0 "[ . 1 . 2]" 1
25 1 37 PRO HA 1 40 MET H . . 4.500 3.530 3.202 3.812 . 0 0 "[ . 1 . 2]" 1
26 1 37 PRO HA 1 70 ILE MG 4.500 . 4.500 3.109 2.088 3.770 . 0 0 "[ . 1 . 2]" 1
27 1 62 SER QB 1 63 LEU H 4.500 . 4.500 2.939 1.916 3.909 . 0 0 "[ . 1 . 2]" 1
28 1 42 PRO HA 1 43 ILE H . . 5.500 3.500 3.400 3.550 . 0 0 "[ . 1 . 2]" 1
29 1 42 PRO HA 1 45 ALA MB 3.500 . 3.500 2.747 2.480 3.132 . 0 0 "[ . 1 . 2]" 1
30 1 55 PRO HA 1 57 LEU H 6.000 . 6.000 3.934 3.653 4.186 . 0 0 "[ . 1 . 2]" 1
31 1 55 PRO HA 1 57 LEU QB 5.500 . 5.500 5.236 4.791 5.604 0.104 11 0 "[ . 1 . 2]" 1
32 1 92 SER QB 1 93 GLY H 6.000 . 6.000 2.904 2.431 3.418 . 0 0 "[ . 1 . 2]" 1
33 1 97 PRO HA 1 98 LEU H 6.000 . 6.000 3.225 3.069 3.482 . 0 0 "[ . 1 . 2]" 1
34 1 70 ILE HA 1 70 ILE QG . . 3.500 2.483 2.447 2.518 . 0 0 "[ . 1 . 2]" 1
35 1 70 ILE HA 1 70 ILE MG 3.500 . 3.500 2.349 2.323 2.385 . 0 0 "[ . 1 . 2]" 1
36 1 70 ILE HA 1 70 ILE MD 4.500 . 4.500 3.881 3.856 3.906 . 0 0 "[ . 1 . 2]" 1
37 1 43 ILE HA 1 44 LEU H . . 5.500 3.555 3.535 3.576 . 0 0 "[ . 1 . 2]" 1
38 1 43 ILE HA 1 46 ASN H 4.500 . 4.500 3.946 3.636 4.423 . 0 0 "[ . 1 . 2]" 1
39 1 42 PRO QG 1 43 ILE HA 6.000 . 6.000 4.995 4.328 5.616 . 0 0 "[ . 1 . 2]" 1
40 1 43 ILE HA 1 49 VAL QG 4.500 . 4.500 3.933 3.768 4.142 . 0 0 "[ . 1 . 2]" 1
41 1 43 ILE HA 1 43 ILE MD 4.500 . 4.500 2.706 2.319 3.825 . 0 0 "[ . 1 . 2]" 1
42 1 33 SER H 1 33 SER QB . . 3.500 2.486 2.302 2.649 . 0 0 "[ . 1 . 2]" 1
43 1 12 SER H 1 12 SER QB . . 3.500 2.489 2.251 2.769 . 0 0 "[ . 1 . 2]" 1
44 1 12 SER QB 1 13 ILE H . . 4.500 3.028 2.692 3.714 . 0 0 "[ . 1 . 2]" 1
45 1 33 SER QB 1 34 VAL H 4.500 . 4.500 3.045 2.811 3.410 . 0 0 "[ . 1 . 2]" 1
46 1 33 SER QB 1 34 VAL QG 4.500 . 4.500 3.364 3.029 3.842 . 0 0 "[ . 1 . 2]" 1
47 1 59 SER H 1 59 SER QB 3.500 . 3.500 2.853 2.237 3.408 . 0 0 "[ . 1 . 2]" 1
48 1 4 PRO HA 1 5 ILE H 3.500 . 3.500 3.444 3.055 3.563 0.063 6 0 "[ . 1 . 2]" 1
49 1 39 ILE HA 1 40 MET H 6.000 . 6.000 3.523 3.494 3.550 . 0 0 "[ . 1 . 2]" 1
50 1 39 ILE HA 1 39 ILE MD 4.500 . 4.500 3.106 2.151 3.890 . 0 0 "[ . 1 . 2]" 1
51 1 105 PRO HA 1 106 ALA H 3.500 . 3.500 2.270 2.142 2.379 . 0 0 "[ . 1 . 2]" 1
52 1 120 PHE HA 1 121 ALA H 5.500 . 5.500 3.535 3.507 3.552 . 0 0 "[ . 1 . 2]" 1
53 1 34 VAL HA 1 35 LEU H 4.500 . 4.500 3.524 3.493 3.554 . 0 0 "[ . 1 . 2]" 1
54 1 64 PRO HA 1 65 GLN H 3.500 . 3.500 2.186 2.131 2.261 . 0 0 "[ . 1 . 2]" 1
55 1 13 ILE HA 1 14 LEU H 4.500 . 4.500 3.400 3.190 3.503 . 0 0 "[ . 1 . 2]" 1
56 1 120 PHE HA 1 123 ALA H . . 4.500 3.670 3.494 3.941 . 0 0 "[ . 1 . 2]" 1
57 1 120 PHE HA 1 120 PHE QD 3.500 . 3.500 2.764 2.421 2.982 . 0 0 "[ . 1 . 2]" 1
58 1 16 THR HA 1 17 MET H . . 4.500 2.307 2.147 3.570 . 0 0 "[ . 1 . 2]" 1
59 1 13 ILE HA 1 13 ILE MG 3.500 . 3.500 2.925 2.275 3.231 . 0 0 "[ . 1 . 2]" 1
60 1 29 VAL HA 1 30 ASP H 3.500 . 3.500 2.409 2.156 3.532 0.032 12 0 "[ . 1 . 2]" 1
61 1 53 LEU QD 1 86 PHE HA . . 3.500 2.128 1.810 2.518 . 0 0 "[ . 1 . 2]" 1
62 1 86 PHE HA 1 95 LEU QD 6.000 . 6.000 4.625 4.160 5.196 . 0 0 "[ . 1 . 2]" 1
63 1 50 GLN HA 1 53 LEU H 4.500 . 4.500 3.126 2.719 3.394 . 0 0 "[ . 1 . 2]" 1
64 1 50 GLN HA 1 52 ARG H 6.000 . 6.000 3.949 3.633 4.426 . 0 0 "[ . 1 . 2]" 1
65 1 50 GLN HA 1 53 LEU QB . . 5.500 2.287 1.811 2.967 . 0 0 "[ . 1 . 2]" 1
66 1 107 GLU HA 1 110 GLU H 4.500 . 4.500 3.723 3.514 3.928 . 0 0 "[ . 1 . 2]" 1
67 1 118 GLU HA 1 119 ALA H 4.500 . 4.500 3.523 3.442 3.563 . 0 0 "[ . 1 . 2]" 1
68 1 92 SER HA 1 93 GLY H 6.000 . 6.000 3.475 3.267 3.566 . 0 0 "[ . 1 . 2]" 1
69 1 107 GLU HA 1 109 VAL H 4.500 . 4.500 4.543 4.458 4.611 0.111 4 0 "[ . 1 . 2]" 1
70 1 107 GLU HA 1 107 GLU QG 3.500 . 3.500 2.649 2.382 3.486 . 0 0 "[ . 1 . 2]" 1
71 1 38 GLU HA 1 71 GLN QG 3.500 . 3.500 3.182 1.969 3.683 0.183 4 0 "[ . 1 . 2]" 1
72 1 107 GLU HA 1 123 ALA MB 6.000 . 6.000 3.905 2.816 4.349 . 0 0 "[ . 1 . 2]" 1
73 1 59 SER HA 1 60 GLY H 3.500 . 3.500 2.823 2.125 3.516 0.016 16 0 "[ . 1 . 2]" 1
74 1 59 SER HA 1 61 GLU H 6.000 . 6.000 3.987 2.969 4.609 . 0 0 "[ . 1 . 2]" 1
75 1 38 GLU HA 1 41 ALA MB 5.500 . 5.500 3.197 2.550 3.841 . 0 0 "[ . 1 . 2]" 1
76 1 85 MET HA 1 86 PHE H 6.000 . 6.000 3.528 3.505 3.549 . 0 0 "[ . 1 . 2]" 1
77 1 80 GLN HA 1 83 LEU H . . 4.500 3.417 3.150 3.655 . 0 0 "[ . 1 . 2]" 1
78 1 80 GLN HA 1 84 GLY H 6.000 . 6.000 3.742 3.420 4.102 . 0 0 "[ . 1 . 2]" 1
79 1 36 THR HA 1 37 PRO QD 4.500 . 4.500 2.155 1.968 2.306 . 0 0 "[ . 1 . 2]" 1
80 1 110 GLU HA 1 113 ASN QB 4.500 . 4.500 2.549 2.012 3.201 . 0 0 "[ . 1 . 2]" 1
81 1 122 LYS HA 1 125 GLN QB 3.500 . 3.500 2.447 2.092 2.750 . 0 0 "[ . 1 . 2]" 1
82 1 80 GLN HA 1 83 LEU QB 4.500 . 4.500 2.467 2.108 2.784 . 0 0 "[ . 1 . 2]" 1
83 1 80 GLN HA 1 83 LEU HG 4.500 . 4.500 4.183 3.568 4.512 0.012 11 0 "[ . 1 . 2]" 1
84 1 85 MET HA 1 88 ALA MB 3.500 . 3.500 2.668 2.245 2.999 . 0 0 "[ . 1 . 2]" 1
85 1 54 LEU HA 1 54 LEU QD 3.500 . 3.500 2.004 1.884 2.400 . 0 0 "[ . 1 . 2]" 1
86 1 80 GLN HA 1 83 LEU QD 6.000 . 6.000 3.829 3.534 4.177 . 0 0 "[ . 1 . 2]" 1
87 1 122 LYS HA 1 124 MET H . . 5.500 4.421 4.224 4.594 . 0 0 "[ . 1 . 2]" 1
88 1 85 MET HA 1 88 ALA H 6.000 . 6.000 3.357 3.180 3.604 . 0 0 "[ . 1 . 2]" 1
89 1 56 TYR QB 1 85 MET HA 5.500 . 5.500 3.511 2.974 3.925 . 0 0 "[ . 1 . 2]" 1
90 1 8 SER HA 1 9 ASP H 4.500 . 4.500 3.423 3.192 3.562 . 0 0 "[ . 1 . 2]" 1
91 1 8 SER HA 1 11 GLN QG 6.000 . 6.000 2.709 2.001 4.598 . 0 0 "[ . 1 . 2]" 1
92 1 8 SER HA 1 11 GLN QB 6.000 . 6.000 3.360 2.338 4.497 . 0 0 "[ . 1 . 2]" 1
93 1 78 GLN HA 1 79 PHE H 6.000 . 6.000 3.505 3.437 3.552 . 0 0 "[ . 1 . 2]" 1
94 1 78 GLN HA 1 80 GLN QG 4.500 . 4.500 4.561 4.440 4.865 0.365 8 0 "[ . 1 . 2]" 1
95 1 78 GLN HA 1 82 ALA MB 6.000 . 6.000 4.752 4.332 5.698 . 0 0 "[ . 1 . 2]" 1
96 1 69 GLU HA 1 73 THR MG 6.000 . 6.000 4.459 3.500 5.296 . 0 0 "[ . 1 . 2]" 1
97 1 41 ALA MB 1 71 GLN HA 6.000 . 6.000 3.997 3.082 5.162 . 0 0 "[ . 1 . 2]" 1
98 1 70 ILE MG 1 71 GLN HA 4.500 . 4.500 3.674 3.425 3.870 . 0 0 "[ . 1 . 2]" 1
99 1 124 MET H 1 125 GLN HA 6.000 . 6.000 5.205 5.105 5.299 . 0 0 "[ . 1 . 2]" 1
100 1 41 ALA HA 1 70 ILE HB 3.500 . 3.500 2.911 2.401 3.520 0.020 17 0 "[ . 1 . 2]" 1
101 1 41 ALA HA 1 70 ILE MD 4.500 . 4.500 1.923 1.794 2.098 0.006 18 0 "[ . 1 . 2]" 1
102 1 83 LEU HA 1 84 GLY H 6.000 . 6.000 3.558 3.546 3.567 . 0 0 "[ . 1 . 2]" 1
103 1 48 ASP HA 1 51 GLU H . . 4.500 3.967 3.530 4.306 . 0 0 "[ . 1 . 2]" 1
104 1 31 LEU HA 1 34 VAL H 6.000 . 6.000 3.782 3.455 3.956 . 0 0 "[ . 1 . 2]" 1
105 1 48 ASP HA 1 49 VAL QG 6.000 . 6.000 4.435 4.352 4.507 . 0 0 "[ . 1 . 2]" 1
106 1 62 SER HA 1 63 LEU H 3.500 . 3.500 2.370 2.095 2.716 . 0 0 "[ . 1 . 2]" 1
107 1 82 ALA H 1 83 LEU HA 6.000 . 6.000 5.258 5.166 5.371 . 0 0 "[ . 1 . 2]" 1
108 1 90 LEU HA 1 93 GLY H . . 5.500 4.090 3.123 4.497 . 0 0 "[ . 1 . 2]" 1
109 1 83 LEU HA 1 85 MET H 6.000 . 6.000 4.622 4.430 4.765 . 0 0 "[ . 1 . 2]" 1
110 1 90 LEU HA 1 92 SER H 6.000 . 6.000 4.939 3.830 5.369 . 0 0 "[ . 1 . 2]" 1
111 1 56 TYR HA 1 56 TYR QD 4.500 . 4.500 2.878 2.483 3.226 . 0 0 "[ . 1 . 2]" 1
112 1 83 LEU HA 1 86 PHE QB 4.500 . 4.500 2.667 2.331 3.089 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLN HA 1 11 GLN QG 3.500 . 3.500 2.848 2.377 3.083 . 0 0 "[ . 1 . 2]" 1
114 1 90 LEU HA 1 95 LEU QB 6.000 . 6.000 3.948 3.288 4.622 . 0 0 "[ . 1 . 2]" 1
115 1 48 ASP HA 1 98 LEU QB 6.000 . 6.000 5.537 4.407 6.280 0.280 5 0 "[ . 1 . 2]" 1
116 1 57 LEU QB 1 62 SER HA 6.000 . 6.000 3.453 2.138 5.215 . 0 0 "[ . 1 . 2]" 1
117 1 90 LEU HA 1 95 LEU HG 6.000 . 6.000 2.087 1.891 2.694 . 0 0 "[ . 1 . 2]" 1
118 1 90 LEU HA 1 90 LEU HG 4.500 . 4.500 3.344 2.488 3.745 . 0 0 "[ . 1 . 2]" 1
119 1 57 LEU QD 1 62 SER HA 4.500 . 4.500 2.614 1.860 4.588 0.088 12 0 "[ . 1 . 2]" 1
120 1 90 LEU HA 1 95 LEU QD 3.500 . 3.500 2.775 2.291 3.028 . 0 0 "[ . 1 . 2]" 1
121 1 90 LEU HA 1 91 ALA H . . 4.500 3.500 3.451 3.564 . 0 0 "[ . 1 . 2]" 1
122 1 68 ASP HA 1 71 GLN H 6.000 . 6.000 3.656 3.242 4.069 . 0 0 "[ . 1 . 2]" 1
123 1 68 ASP HA 1 69 GLU H . . 4.500 3.538 3.492 3.572 . 0 0 "[ . 1 . 2]" 1
124 1 89 ALA H 1 90 LEU HA 6.000 . 6.000 5.298 5.156 5.378 . 0 0 "[ . 1 . 2]" 1
125 1 56 TYR HA 1 56 TYR QE 4.500 . 4.500 4.623 4.451 4.819 0.319 11 0 "[ . 1 . 2]" 1
126 1 101 GLN HA 1 102 PHE H 4.500 . 4.500 3.466 3.357 3.561 . 0 0 "[ . 1 . 2]" 1
127 1 68 ASP HA 1 72 ASN QB 5.500 . 5.500 4.507 3.900 5.398 . 0 0 "[ . 1 . 2]" 1
128 1 134 GLU HA 1 134 GLU QG 3.500 . 3.500 2.915 2.349 3.521 0.021 2 0 "[ . 1 . 2]" 1
129 1 10 LEU HA 1 11 GLN H 4.500 . 4.500 3.285 3.026 3.478 . 0 0 "[ . 1 . 2]" 1
130 1 114 LYS HA 1 114 LYS QE 6.000 . 6.000 4.165 3.408 5.045 . 0 0 "[ . 1 . 2]" 1
131 1 145 GLU HA 1 145 GLU QB 2.800 . 2.800 2.272 2.163 2.408 . 0 0 "[ . 1 . 2]" 1
132 1 101 GLN HA 1 101 GLN QG 3.500 . 3.500 3.316 2.452 3.515 0.015 19 0 "[ . 1 . 2]" 1
133 1 45 ALA MB 1 65 GLN HA 6.000 . 6.000 4.865 3.885 5.652 . 0 0 "[ . 1 . 2]" 1
134 1 52 ARG HA 1 89 ALA MB 6.000 . 6.000 4.402 3.775 5.173 . 0 0 "[ . 1 . 2]" 1
135 1 44 LEU HA 1 46 ASN H 6.000 . 6.000 3.441 3.205 3.637 . 0 0 "[ . 1 . 2]" 1
136 1 141 LYS HA 1 141 LYS QD 2.800 . 2.800 2.133 1.881 2.873 0.073 1 0 "[ . 1 . 2]" 1
137 1 44 LEU HA 1 49 VAL QG 4.500 . 4.500 2.190 1.887 2.905 . 0 0 "[ . 1 . 2]" 1
138 1 44 LEU HA 1 44 LEU QD 3.500 . 3.500 1.999 1.880 2.531 . 0 0 "[ . 1 . 2]" 1
139 1 106 ALA HA 1 107 GLU H 6.000 . 6.000 3.493 3.418 3.549 . 0 0 "[ . 1 . 2]" 1
140 1 47 ALA HA 1 50 GLN H . . 4.500 3.242 3.063 3.617 . 0 0 "[ . 1 . 2]" 1
141 1 106 ALA HA 1 110 GLU H 6.000 . 6.000 4.025 3.838 4.389 . 0 0 "[ . 1 . 2]" 1
142 1 47 ALA HA 1 48 ASP H . . 4.500 3.451 3.411 3.557 . 0 0 "[ . 1 . 2]" 1
143 1 106 ALA HA 1 109 VAL H 5.500 . 5.500 3.317 3.049 3.524 . 0 0 "[ . 1 . 2]" 1
144 1 53 LEU HA 1 54 LEU H . . 4.500 3.344 3.246 3.497 . 0 0 "[ . 1 . 2]" 1
145 1 44 LEU HA 1 45 ALA H 6.000 . 6.000 3.410 3.322 3.486 . 0 0 "[ . 1 . 2]" 1
146 1 53 LEU HA 1 56 TYR QD 4.500 . 4.500 3.083 2.210 3.865 . 0 0 "[ . 1 . 2]" 1
147 1 96 GLY QA 1 113 ASN HA 4.500 . 4.500 2.044 1.897 2.492 . 0 0 "[ . 1 . 2]" 1
148 1 106 ALA HA 1 109 VAL HB 4.500 . 4.500 3.872 3.335 4.339 . 0 0 "[ . 1 . 2]" 1
149 1 132 GLN HA 1 132 GLN QB 2.800 . 2.800 2.330 2.169 2.514 . 0 0 "[ . 1 . 2]" 1
150 1 95 LEU QB 1 113 ASN HA 6.000 . 6.000 4.777 4.116 6.008 0.008 20 0 "[ . 1 . 2]" 1
151 1 53 LEU HA 1 89 ALA MB 6.000 . 6.000 3.335 2.645 4.010 . 0 0 "[ . 1 . 2]" 1
152 1 53 LEU HA 1 53 LEU QD 3.500 . 3.500 1.910 1.878 1.931 . 0 0 "[ . 1 . 2]" 1
153 1 17 MET HA 1 18 ASN H 4.500 . 4.500 2.316 2.088 2.830 . 0 0 "[ . 1 . 2]" 1
154 1 28 GLN HA 1 29 VAL H 3.500 . 3.500 2.260 2.086 2.664 . 0 0 "[ . 1 . 2]" 1
155 1 121 ALA HA 1 122 LYS H . . 4.500 3.553 3.535 3.570 . 0 0 "[ . 1 . 2]" 1
156 1 98 LEU HA 1 99 MET H 4.500 . 4.500 3.424 3.311 3.507 . 0 0 "[ . 1 . 2]" 1
157 1 47 ALA HA 1 51 GLU H 6.000 . 6.000 4.153 3.455 4.598 . 0 0 "[ . 1 . 2]" 1
158 1 98 LEU HA 1 101 GLN H 4.500 . 4.500 3.636 3.356 3.906 . 0 0 "[ . 1 . 2]" 1
159 1 47 ALA HA 1 50 GLN QG 6.000 . 6.000 3.010 2.042 4.312 . 0 0 "[ . 1 . 2]" 1
160 1 47 ALA HA 1 50 GLN QB 3.500 . 3.500 2.190 1.921 2.601 . 0 0 "[ . 1 . 2]" 1
161 1 121 ALA HA 1 123 ALA MB 6.000 . 6.000 4.774 4.583 5.124 . 0 0 "[ . 1 . 2]" 1
162 1 6 GLN HA 1 7 LEU H 3.500 . 3.500 2.752 2.075 3.559 0.059 15 0 "[ . 1 . 2]" 1
163 1 61 GLU HA 1 62 SER H 3.500 . 3.500 3.450 2.104 3.577 0.077 15 0 "[ . 1 . 2]" 1
164 1 82 ALA HA 1 85 MET H 6.000 . 6.000 3.645 3.365 3.858 . 0 0 "[ . 1 . 2]" 1
165 1 121 ALA HA 1 124 MET H . . 4.500 3.560 3.427 3.808 . 0 0 "[ . 1 . 2]" 1
166 1 120 PHE QD 1 121 ALA HA 6.000 . 6.000 3.554 3.119 3.904 . 0 0 "[ . 1 . 2]" 1
167 1 82 ALA HA 1 85 MET QG 6.000 . 6.000 3.707 2.803 4.409 . 0 0 "[ . 1 . 2]" 1
168 1 82 ALA HA 1 85 MET QB 4.500 . 4.500 2.880 2.273 3.144 . 0 0 "[ . 1 . 2]" 1
169 1 121 ALA HA 1 124 MET QB 4.500 . 4.500 3.001 2.654 3.363 . 0 0 "[ . 1 . 2]" 1
170 1 28 GLN HA 1 29 VAL QG 3.500 . 3.500 3.554 3.349 3.660 0.160 4 0 "[ . 1 . 2]" 1
171 1 57 LEU QD 1 61 GLU HA 6.000 . 6.000 4.203 2.907 5.631 . 0 0 "[ . 1 . 2]" 1
172 1 111 ALA HA 1 116 ASP H 6.000 . 6.000 3.375 3.075 3.756 . 0 0 "[ . 1 . 2]" 1
173 1 111 ALA HA 1 119 ALA MB 4.500 . 4.500 2.786 2.199 3.121 . 0 0 "[ . 1 . 2]" 1
174 1 44 LEU QD 1 82 ALA HA 6.000 . 6.000 3.922 3.663 4.241 . 0 0 "[ . 1 . 2]" 1
175 1 88 ALA HA 1 91 ALA H 6.000 . 6.000 3.528 3.430 3.715 . 0 0 "[ . 1 . 2]" 1
176 1 67 ALA HA 1 70 ILE H . . 5.500 3.438 3.252 3.733 . 0 0 "[ . 1 . 2]" 1
177 1 112 ALA HA 1 115 GLY H 4.500 . 4.500 3.368 3.123 3.542 . 0 0 "[ . 1 . 2]" 1
178 1 124 MET HA 1 127 ASN QB . . 5.500 2.516 1.998 3.437 . 0 0 "[ . 1 . 2]" 1
179 1 67 ALA HA 1 70 ILE MD . . 3.500 2.360 2.038 2.941 . 0 0 "[ . 1 . 2]" 1
180 1 90 LEU QD 1 112 ALA HA 3.500 . 3.500 2.238 1.789 2.768 0.011 7 0 "[ . 1 . 2]" 1
181 1 142 ASP HA 1 143 GLU H 3.500 . 3.500 2.680 2.100 3.543 0.043 11 0 "[ . 1 . 2]" 1
182 1 108 ALA HA 1 120 PHE QD 5.500 . 5.500 2.709 1.952 4.035 . 0 0 "[ . 1 . 2]" 1
183 1 56 TYR QD 1 89 ALA HA 6.000 . 6.000 4.064 3.049 4.906 . 0 0 "[ . 1 . 2]" 1
184 1 108 ALA HA 1 111 ALA MB . . 3.500 2.788 2.411 3.301 . 0 0 "[ . 1 . 2]" 1
185 1 41 ALA MB 1 67 ALA HA . . 3.500 2.174 1.884 2.635 . 0 0 "[ . 1 . 2]" 1
186 1 139 ASP HA 1 140 LYS H . . 3.500 2.566 2.135 3.537 0.037 10 0 "[ . 1 . 2]" 1
187 1 56 TYR QE 1 89 ALA HA 4.500 . 4.500 3.378 2.805 4.524 0.024 7 0 "[ . 1 . 2]" 1
188 1 32 ALA HA 1 35 LEU H . . 4.500 3.437 3.178 3.760 . 0 0 "[ . 1 . 2]" 1
189 1 32 ALA HA 1 33 SER H . . 4.500 3.409 3.339 3.466 . 0 0 "[ . 1 . 2]" 1
190 1 123 ALA HA 1 124 MET H 6.000 . 6.000 3.538 3.514 3.554 . 0 0 "[ . 1 . 2]" 1
191 1 32 ALA HA 1 34 VAL H 6.000 . 6.000 3.802 3.424 4.494 . 0 0 "[ . 1 . 2]" 1
192 1 129 LYS HA 1 130 PRO QD 3.500 . 3.500 1.972 1.834 2.129 . 0 0 "[ . 1 . 2]" 1
193 1 123 ALA HA 1 126 ASN QB 6.000 . 6.000 3.243 2.888 3.806 . 0 0 "[ . 1 . 2]" 1
194 1 107 GLU QG 1 123 ALA HA 6.000 . 6.000 3.763 2.601 4.793 . 0 0 "[ . 1 . 2]" 1
195 1 123 ALA HA 1 125 GLN QB 6.000 . 6.000 5.098 4.786 5.418 . 0 0 "[ . 1 . 2]" 1
196 1 129 LYS HA 1 130 PRO QG 6.000 . 6.000 3.877 3.718 4.044 . 0 0 "[ . 1 . 2]" 1
197 1 32 ALA HA 1 35 LEU QB 6.000 . 6.000 2.994 2.489 3.511 . 0 0 "[ . 1 . 2]" 1
198 1 107 GLU QB 1 123 ALA HA 6.000 . 6.000 3.493 2.401 4.338 . 0 0 "[ . 1 . 2]" 1
199 1 122 LYS QD 1 123 ALA HA 6.000 . 6.000 5.934 5.738 6.121 0.121 11 0 "[ . 1 . 2]" 1
200 1 32 ALA HA 1 83 LEU QD 4.500 . 4.500 3.119 2.697 3.666 . 0 0 "[ . 1 . 2]" 1
201 1 126 ASN HA 1 127 ASN H 4.500 . 4.500 3.451 3.219 3.529 . 0 0 "[ . 1 . 2]" 1
202 1 91 ALA HA 1 92 SER H 6.000 . 6.000 3.556 3.415 3.579 . 0 0 "[ . 1 . 2]" 1
203 1 39 ILE H 1 40 MET HA 5.500 . 5.500 4.908 4.836 5.020 . 0 0 "[ . 1 . 2]" 1
204 1 40 MET HA 1 43 ILE H . . 5.500 3.675 3.381 3.866 . 0 0 "[ . 1 . 2]" 1
205 1 3 GLN HA 1 4 PRO QD 3.500 . 3.500 2.010 1.861 2.250 . 0 0 "[ . 1 . 2]" 1
206 1 40 MET HA 1 43 ILE HB 4.500 . 4.500 2.734 2.361 2.939 . 0 0 "[ . 1 . 2]" 1
207 1 40 MET HA 1 43 ILE QG 6.000 . 6.000 4.174 3.343 4.523 . 0 0 "[ . 1 . 2]" 1
208 1 40 MET HA 1 43 ILE MG 6.000 . 6.000 3.826 3.622 4.049 . 0 0 "[ . 1 . 2]" 1
209 1 127 ASN HA 1 128 ALA H 4.500 . 4.500 3.511 3.243 3.566 . 0 0 "[ . 1 . 2]" 1
210 1 30 ASP HA 1 31 LEU H . . 3.500 2.135 2.090 2.218 . 0 0 "[ . 1 . 2]" 1
211 1 18 ASN HA 1 19 VAL H . . 3.500 2.219 2.129 2.482 . 0 0 "[ . 1 . 2]" 1
212 1 57 LEU HA 1 58 PRO QD 4.500 . 4.500 1.911 1.818 1.986 . 0 0 "[ . 1 . 2]" 1
213 1 104 LEU HA 1 105 PRO QD 4.500 . 4.500 2.097 1.969 2.164 . 0 0 "[ . 1 . 2]" 1
214 1 35 LEU HA 1 124 MET QB 4.500 . 4.500 4.343 3.781 4.627 0.127 16 0 "[ . 1 . 2]" 1
215 1 35 LEU HA 1 36 THR H . . 3.500 2.198 2.095 2.383 . 0 0 "[ . 1 . 2]" 1
216 1 35 LEU HA 1 39 ILE MG 4.500 . 4.500 3.527 2.549 4.533 0.033 4 0 "[ . 1 . 2]" 1
217 1 45 ALA HA 1 46 ASN H . . 4.500 3.284 3.116 3.362 . 0 0 "[ . 1 . 2]" 1
218 1 63 LEU HA 1 64 PRO QD 4.500 . 4.500 2.038 1.892 2.215 . 0 0 "[ . 1 . 2]" 1
219 1 45 ALA HA 1 70 ILE MD 5.500 . 5.500 3.922 3.240 4.537 . 0 0 "[ . 1 . 2]" 1
220 1 4 PRO HA 1 4 PRO QD 3.500 . 3.500 3.456 3.359 3.542 0.042 13 0 "[ . 1 . 2]" 1
221 1 4 PRO QD 1 5 ILE HA 6.000 . 6.000 4.373 3.784 5.269 . 0 0 "[ . 1 . 2]" 1
222 1 4 PRO QB 1 4 PRO QD . . 3.500 2.800 2.713 2.965 . 0 0 "[ . 1 . 2]" 1
223 1 4 PRO QD 1 5 ILE H 4.500 . 4.500 2.495 2.034 3.149 . 0 0 "[ . 1 . 2]" 1
224 1 96 GLY QA 1 113 ASN H 6.000 . 6.000 3.746 2.595 4.470 . 0 0 "[ . 1 . 2]" 1
225 1 95 LEU H 1 96 GLY QA . . 5.500 4.327 4.079 4.461 . 0 0 "[ . 1 . 2]" 1
226 1 96 GLY QA 1 97 PRO QD 4.500 . 4.500 1.948 1.890 2.019 . 0 0 "[ . 1 . 2]" 1
227 1 96 GLY QA 1 113 ASN QB 6.000 . 6.000 2.503 1.894 3.311 . 0 0 "[ . 1 . 2]" 1
228 1 96 GLY QA 1 99 MET QG 6.000 . 6.000 4.820 3.613 5.729 . 0 0 "[ . 1 . 2]" 1
229 1 96 GLY QA 1 112 ALA MB 6.000 . 6.000 3.839 2.665 4.564 . 0 0 "[ . 1 . 2]" 1
230 1 103 GLY QA 1 104 LEU H 4.500 . 4.500 2.627 2.336 2.852 . 0 0 "[ . 1 . 2]" 1
231 1 135 GLY QA 1 136 ASP H 3.500 . 3.500 2.365 2.080 2.945 . 0 0 "[ . 1 . 2]" 1
232 1 60 GLY QA 1 61 GLU H . . 4.500 2.829 2.637 2.925 . 0 0 "[ . 1 . 2]" 1
233 1 57 LEU H 1 57 LEU QB 3.500 . 3.500 2.451 2.345 2.526 . 0 0 "[ . 1 . 2]" 1
234 1 57 LEU QB 1 58 PRO QD 6.000 . 6.000 2.961 2.485 3.330 . 0 0 "[ . 1 . 2]" 1
235 1 54 LEU HA 1 57 LEU QB 6.000 . 6.000 4.485 3.860 5.008 . 0 0 "[ . 1 . 2]" 1
236 1 98 LEU QB 1 99 MET H 4.500 . 4.500 2.999 2.743 3.280 . 0 0 "[ . 1 . 2]" 1
237 1 95 LEU QB 1 98 LEU QB 3.500 . 3.500 2.338 1.815 3.519 0.019 14 0 "[ . 1 . 2]" 1
238 1 96 GLY QA 1 98 LEU QB 5.500 . 5.500 4.293 3.848 4.867 . 0 0 "[ . 1 . 2]" 1
239 1 95 LEU QD 1 98 LEU QB 6.000 . 6.000 3.118 1.897 4.260 . 0 0 "[ . 1 . 2]" 1
240 1 31 LEU QB 1 35 LEU H 4.500 . 4.500 3.838 3.503 4.387 . 0 0 "[ . 1 . 2]" 1
241 1 14 LEU H 1 14 LEU QB 3.500 . 3.500 2.495 2.416 2.888 . 0 0 "[ . 1 . 2]" 1
242 1 116 ASP QB 1 119 ALA MB 3.500 . 3.500 2.428 2.042 3.092 . 0 0 "[ . 1 . 2]" 1
243 1 31 LEU QB 1 83 LEU HG 6.000 . 6.000 3.677 3.135 4.548 . 0 0 "[ . 1 . 2]" 1
244 1 31 LEU QB 1 83 LEU QD 4.500 . 4.500 1.860 1.757 2.247 0.043 18 0 "[ . 1 . 2]" 1
245 1 53 LEU H 1 53 LEU QB . . 3.500 2.216 2.154 2.285 . 0 0 "[ . 1 . 2]" 1
246 1 116 ASP H 1 116 ASP QB . . 3.500 2.462 2.337 2.591 . 0 0 "[ . 1 . 2]" 1
247 1 53 LEU QB 1 54 LEU H . . 5.500 3.228 2.872 3.457 . 0 0 "[ . 1 . 2]" 1
248 1 44 LEU QB 1 45 ALA H . . 4.500 3.028 2.761 3.254 . 0 0 "[ . 1 . 2]" 1
249 1 111 ALA HA 1 116 ASP QB 6.000 . 6.000 2.997 2.196 3.647 . 0 0 "[ . 1 . 2]" 1
250 1 114 LYS QB 1 116 ASP QB . . 4.500 2.959 2.493 3.666 . 0 0 "[ . 1 . 2]" 1
251 1 111 ALA MB 1 116 ASP QB 4.500 . 4.500 3.391 2.691 4.100 . 0 0 "[ . 1 . 2]" 1
252 1 83 LEU QB 1 84 GLY H 4.500 . 4.500 2.410 2.312 2.539 . 0 0 "[ . 1 . 2]" 1
253 1 44 LEU QB 1 70 ILE MG 4.500 . 4.500 3.642 3.147 4.177 . 0 0 "[ . 1 . 2]" 1
254 1 90 LEU H 1 90 LEU QB . . 3.500 2.457 2.186 2.686 . 0 0 "[ . 1 . 2]" 1
255 1 90 LEU QB 1 91 ALA H . . 4.500 3.201 2.334 3.644 . 0 0 "[ . 1 . 2]" 1
256 1 81 GLN H 1 83 LEU QB . . 5.500 4.725 4.454 4.881 . 0 0 "[ . 1 . 2]" 1
257 1 9 ASP QB 1 10 LEU H 4.500 . 4.500 3.036 2.418 3.693 . 0 0 "[ . 1 . 2]" 1
258 1 68 ASP QB 1 69 GLU H 4.500 . 4.500 2.534 2.285 2.875 . 0 0 "[ . 1 . 2]" 1
259 1 30 ASP QB 1 33 SER QB 6.000 . 6.000 3.552 2.448 5.079 . 0 0 "[ . 1 . 2]" 1
260 1 67 ALA MB 1 68 ASP QB 4.500 . 4.500 4.324 3.938 4.610 0.110 16 0 "[ . 1 . 2]" 1
261 1 66 THR MG 1 68 ASP QB 4.500 . 4.500 4.137 3.840 4.442 . 0 0 "[ . 1 . 2]" 1
262 1 46 ASN QB 1 47 ALA H . . 4.500 3.173 2.984 3.384 . 0 0 "[ . 1 . 2]" 1
263 1 46 ASN QB 1 102 PHE H 6.000 . 6.000 5.867 4.738 6.175 0.175 3 0 "[ . 1 . 2]" 1
264 1 46 ASN H 1 46 ASN QB 3.500 . 3.500 2.371 2.233 2.476 . 0 0 "[ . 1 . 2]" 1
265 1 46 ASN QB 1 49 VAL QG 4.500 . 4.500 2.087 1.792 2.374 0.008 18 0 "[ . 1 . 2]" 1
266 1 48 ASP QB 1 49 VAL H 6.000 . 6.000 2.569 2.300 3.165 . 0 0 "[ . 1 . 2]" 1
267 1 48 ASP H 1 48 ASP QB . . 3.500 2.433 2.250 2.725 . 0 0 "[ . 1 . 2]" 1
268 1 48 ASP QB 1 102 PHE H 6.000 . 6.000 5.486 4.057 6.200 0.200 18 0 "[ . 1 . 2]" 1
269 1 48 ASP QB 1 101 GLN H 5.500 . 5.500 5.538 5.257 5.862 0.362 13 0 "[ . 1 . 2]" 1
270 1 48 ASP QB 1 98 LEU QB 4.500 . 4.500 3.602 2.076 4.422 . 0 0 "[ . 1 . 2]" 1
271 1 102 PHE QB 1 104 LEU QD 6.000 . 6.000 2.496 1.917 3.289 . 0 0 "[ . 1 . 2]" 1
272 1 48 ASP QB 1 49 VAL QG 4.500 . 4.500 2.888 2.602 3.609 . 0 0 "[ . 1 . 2]" 1
273 1 102 PHE QB 1 103 GLY H . . 5.500 2.757 2.088 3.581 . 0 0 "[ . 1 . 2]" 1
274 1 72 ASN QB 1 73 THR H . . 4.500 2.863 2.421 3.636 . 0 0 "[ . 1 . 2]" 1
275 1 69 GLU HA 1 72 ASN QB 6.000 . 6.000 2.568 1.992 3.894 . 0 0 "[ . 1 . 2]" 1
276 1 104 LEU QB 1 105 PRO QD . . 5.500 2.095 1.932 2.269 . 0 0 "[ . 1 . 2]" 1
277 1 104 LEU QB 1 109 VAL HA 6.000 . 6.000 4.851 4.099 5.877 . 0 0 "[ . 1 . 2]" 1
278 1 71 GLN QB 1 72 ASN QB 5.500 . 5.500 4.121 3.852 4.578 . 0 0 "[ . 1 . 2]" 1
279 1 104 LEU QB 1 105 PRO QB 5.500 . 5.500 4.371 4.036 4.653 . 0 0 "[ . 1 . 2]" 1
280 1 72 ASN QB 1 73 THR MG 6.000 . 6.000 3.831 3.125 5.138 . 0 0 "[ . 1 . 2]" 1
281 1 43 ILE MD 1 102 PHE QB 6.000 . 6.000 4.964 3.662 6.195 0.195 11 0 "[ . 1 . 2]" 1
282 1 54 LEU H 1 54 LEU QB . . 3.500 2.392 2.167 2.505 . 0 0 "[ . 1 . 2]" 1
283 1 127 ASN H 1 127 ASN QB . . 3.500 2.301 2.233 2.395 . 0 0 "[ . 1 . 2]" 1
284 1 107 GLU QB 1 127 ASN QB 6.000 . 6.000 4.862 3.224 5.984 . 0 0 "[ . 1 . 2]" 1
285 1 120 PHE QB 1 121 ALA H . . 4.500 2.468 2.328 2.588 . 0 0 "[ . 1 . 2]" 1
286 1 35 LEU QB 1 36 THR H . . 4.500 3.697 3.457 3.869 . 0 0 "[ . 1 . 2]" 1
287 1 35 LEU QB 1 40 MET QB . . 5.500 2.808 1.978 4.163 . 0 0 "[ . 1 . 2]" 1
288 1 35 LEU QB 1 39 ILE HB . . 4.500 3.901 3.448 4.324 . 0 0 "[ . 1 . 2]" 1
289 1 35 LEU QB 1 83 LEU QD 6.000 . 6.000 2.730 2.204 3.240 . 0 0 "[ . 1 . 2]" 1
290 1 90 LEU QD 1 120 PHE QB 6.000 . 6.000 2.976 2.434 3.940 . 0 0 "[ . 1 . 2]" 1
291 1 86 PHE QB 1 87 SER H . . 4.500 2.548 2.393 2.630 . 0 0 "[ . 1 . 2]" 1
292 1 86 PHE H 1 86 PHE QB . . 3.500 2.249 2.206 2.265 . 0 0 "[ . 1 . 2]" 1
293 1 53 LEU QD 1 86 PHE QB 5.500 . 5.500 2.704 2.214 3.098 . 0 0 "[ . 1 . 2]" 1
294 1 5 ILE HB 1 6 GLN H . . 5.500 4.011 2.043 4.552 . 0 0 "[ . 1 . 2]" 1
295 1 79 PHE QB 1 80 GLN H . . 4.500 2.448 2.288 2.747 . 0 0 "[ . 1 . 2]" 1
296 1 18 ASN QB 1 19 VAL H . . 4.500 3.413 2.222 3.929 . 0 0 "[ . 1 . 2]" 1
297 1 35 LEU HA 1 39 ILE HB 6.000 . 6.000 3.176 2.314 4.101 . 0 0 "[ . 1 . 2]" 1
298 1 113 ASN H 1 113 ASN QB . . 3.500 2.273 2.213 2.331 . 0 0 "[ . 1 . 2]" 1
299 1 126 ASN H 1 126 ASN QB . . 3.500 2.368 2.227 2.464 . 0 0 "[ . 1 . 2]" 1
300 1 43 ILE HB 1 44 LEU H 4.500 . 4.500 2.754 2.514 2.892 . 0 0 "[ . 1 . 2]" 1
301 1 126 ASN QB 1 128 ALA H 5.500 . 5.500 4.901 4.497 5.339 . 0 0 "[ . 1 . 2]" 1
302 1 39 ILE H 1 39 ILE HB . . 3.500 2.615 2.512 2.677 . 0 0 "[ . 1 . 2]" 1
303 1 36 THR H 1 39 ILE HB . . 4.500 3.030 2.396 3.463 . 0 0 "[ . 1 . 2]" 1
304 1 43 ILE H 1 43 ILE HB . . 3.500 2.336 2.227 2.478 . 0 0 "[ . 1 . 2]" 1
305 1 39 ILE HB 1 43 ILE HB 6.000 . 6.000 6.103 5.942 6.235 0.235 15 0 "[ . 1 . 2]" 1
306 1 13 ILE HB 1 14 LEU H . . 4.500 3.765 2.721 4.292 . 0 0 "[ . 1 . 2]" 1
307 1 113 ASN QB 1 114 LYS H . . 4.500 2.547 2.366 2.779 . 0 0 "[ . 1 . 2]" 1
308 1 56 TYR QB 1 57 LEU H . . 5.500 3.759 3.393 3.925 . 0 0 "[ . 1 . 2]" 1
309 1 56 TYR QB 1 85 MET QG . . 4.500 3.153 2.305 3.646 . 0 0 "[ . 1 . 2]" 1
310 1 56 TYR QB 1 85 MET QB . . 4.500 2.135 1.833 2.657 . 0 0 "[ . 1 . 2]" 1
311 1 56 TYR QB 1 88 ALA MB . . 4.500 4.086 3.729 4.507 0.007 7 0 "[ . 1 . 2]" 1
312 1 70 ILE HB 1 71 GLN H 3.500 . 3.500 2.651 2.402 2.913 . 0 0 "[ . 1 . 2]" 1
313 1 70 ILE H 1 70 ILE HB 3.500 . 3.500 2.623 2.550 2.709 . 0 0 "[ . 1 . 2]" 1
314 1 67 ALA HA 1 70 ILE HB 4.500 . 4.500 2.971 2.717 3.672 . 0 0 "[ . 1 . 2]" 1
315 1 41 ALA MB 1 70 ILE HB 4.500 . 4.500 2.290 1.899 3.076 . 0 0 "[ . 1 . 2]" 1
316 1 106 ALA MB 1 107 GLU QG 6.000 . 6.000 3.845 3.342 4.481 . 0 0 "[ . 1 . 2]" 1
317 1 107 GLU QG 1 123 ALA MB 4.500 . 4.500 3.012 1.983 3.797 . 0 0 "[ . 1 . 2]" 1
318 1 118 GLU QG 1 119 ALA H 6.000 . 6.000 3.294 1.932 4.291 . 0 0 "[ . 1 . 2]" 1
319 1 116 ASP QB 1 118 GLU QG 6.000 . 6.000 4.483 2.209 5.696 . 0 0 "[ . 1 . 2]" 1
320 1 61 GLU QG 1 62 SER H 4.500 . 4.500 3.337 1.922 4.737 0.237 20 0 "[ . 1 . 2]" 1
321 1 51 GLU H 1 51 GLU QG 4.500 . 4.500 3.600 2.085 4.035 . 0 0 "[ . 1 . 2]" 1
322 1 48 ASP HA 1 51 GLU QG 6.000 . 6.000 4.681 2.829 5.517 . 0 0 "[ . 1 . 2]" 1
323 1 51 GLU HA 1 51 GLU QG . . 3.500 2.746 2.355 3.345 . 0 0 "[ . 1 . 2]" 1
324 1 110 GLU HA 1 110 GLU QG 3.500 . 3.500 2.612 2.315 2.952 . 0 0 "[ . 1 . 2]" 1
325 1 106 ALA MB 1 110 GLU QG 6.000 . 6.000 3.841 2.771 5.759 . 0 0 "[ . 1 . 2]" 1
326 1 50 GLN H 1 50 GLN QG 4.500 . 4.500 2.746 1.998 3.895 . 0 0 "[ . 1 . 2]" 1
327 1 50 GLN QG 1 51 GLU H 6.000 . 6.000 4.258 4.035 4.468 . 0 0 "[ . 1 . 2]" 1
328 1 49 VAL HB 1 50 GLN QG 6.000 . 6.000 5.366 4.641 6.173 0.173 1 0 "[ . 1 . 2]" 1
329 1 47 ALA MB 1 50 GLN QG 6.000 . 6.000 4.231 3.423 5.325 . 0 0 "[ . 1 . 2]" 1
330 1 49 VAL QG 1 50 GLN QG 6.000 . 6.000 3.082 2.410 4.204 . 0 0 "[ . 1 . 2]" 1
331 1 80 GLN H 1 80 GLN QG 4.500 . 4.500 2.122 1.810 2.313 . 0 0 "[ . 1 . 2]" 1
332 1 34 VAL HB 1 35 LEU H 4.500 . 4.500 4.110 4.032 4.164 . 0 0 "[ . 1 . 2]" 1
333 1 125 GLN QG 1 126 ASN H 4.500 . 4.500 4.066 3.886 4.312 . 0 0 "[ . 1 . 2]" 1
334 1 71 GLN H 1 71 GLN QG 4.500 . 4.500 2.537 2.213 3.955 . 0 0 "[ . 1 . 2]" 1
335 1 80 GLN QG 1 81 GLN H . . 4.500 2.482 2.131 3.692 . 0 0 "[ . 1 . 2]" 1
336 1 125 GLN H 1 125 GLN QG 3.500 . 3.500 2.318 2.083 2.481 . 0 0 "[ . 1 . 2]" 1
337 1 124 MET H 1 125 GLN QG 4.500 . 4.500 4.266 4.030 4.502 0.002 18 0 "[ . 1 . 2]" 1
338 1 122 LYS HA 1 125 GLN QG 3.500 . 3.500 2.999 2.458 3.525 0.025 20 0 "[ . 1 . 2]" 1
339 1 79 PHE QB 1 80 GLN QG 6.000 . 6.000 4.019 3.299 4.357 . 0 0 "[ . 1 . 2]" 1
340 1 41 ALA MB 1 71 GLN QG 4.500 . 4.500 2.297 1.908 3.110 . 0 0 "[ . 1 . 2]" 1
341 1 121 ALA MB 1 125 GLN QG 4.500 . 4.500 3.372 3.119 3.744 . 0 0 "[ . 1 . 2]" 1
342 1 34 VAL HB 1 121 ALA MB 6.000 . 6.000 4.385 3.771 5.398 . 0 0 "[ . 1 . 2]" 1
343 1 34 VAL QG 1 125 GLN QG . . 3.500 2.048 1.883 2.522 . 0 0 "[ . 1 . 2]" 1
344 1 27 GLN QG 1 28 GLN H 4.500 . 4.500 3.818 2.946 4.569 0.069 8 0 "[ . 1 . 2]" 1
345 1 53 LEU QD 1 85 MET QB . . 4.500 2.264 2.002 2.753 . 0 0 "[ . 1 . 2]" 1
346 1 114 LYS QB 1 115 GLY H 4.500 . 4.500 2.900 2.681 3.352 . 0 0 "[ . 1 . 2]" 1
347 1 114 LYS H 1 114 LYS QB . . 3.500 2.274 2.060 2.575 . 0 0 "[ . 1 . 2]" 1
348 1 29 VAL HB 1 30 ASP H 6.000 . 6.000 3.979 2.647 4.208 . 0 0 "[ . 1 . 2]" 1
349 1 99 MET H 1 99 MET QG . . 4.500 2.344 2.012 2.746 . 0 0 "[ . 1 . 2]" 1
350 1 98 LEU H 1 99 MET QG . . 5.500 3.989 3.558 4.291 . 0 0 "[ . 1 . 2]" 1
351 1 99 MET QG 1 109 VAL HA 6.000 . 6.000 2.564 2.043 4.030 . 0 0 "[ . 1 . 2]" 1
352 1 29 VAL HB 1 118 GLU QG 5.500 . 5.500 4.240 2.126 5.695 0.195 12 0 "[ . 1 . 2]" 1
353 1 101 GLN H 1 101 GLN QG 4.500 . 4.500 2.514 1.861 4.018 . 0 0 "[ . 1 . 2]" 1
354 1 129 LYS H 1 129 LYS QB . . 3.500 2.564 2.248 3.163 . 0 0 "[ . 1 . 2]" 1
355 1 105 PRO QB 1 107 GLU H 4.500 . 4.500 2.632 2.238 3.076 . 0 0 "[ . 1 . 2]" 1
356 1 105 PRO QB 1 106 ALA H . . 4.500 2.856 2.616 3.320 . 0 0 "[ . 1 . 2]" 1
357 1 64 PRO QB 1 65 GLN H . . 4.500 3.587 3.031 3.792 . 0 0 "[ . 1 . 2]" 1
358 1 122 LYS H 1 122 LYS QB 3.500 . 3.500 2.420 2.339 2.557 . 0 0 "[ . 1 . 2]" 1
359 1 122 LYS QB 1 123 ALA H . . 3.500 2.618 2.382 2.760 . 0 0 "[ . 1 . 2]" 1
360 1 97 PRO QB 1 98 LEU H 6.000 . 6.000 3.744 3.349 3.933 . 0 0 "[ . 1 . 2]" 1
361 1 129 LYS QB 1 130 PRO QD . . 4.500 2.920 1.935 3.615 . 0 0 "[ . 1 . 2]" 1
362 1 129 LYS QB 1 130 PRO QB 5.500 . 5.500 4.988 4.176 5.335 . 0 0 "[ . 1 . 2]" 1
363 1 130 PRO QB 1 131 GLU H 4.500 . 4.500 3.178 2.089 4.001 . 0 0 "[ . 1 . 2]" 1
364 1 16 THR HB 1 17 MET QG 6.000 . 6.000 5.339 3.139 6.207 0.207 15 0 "[ . 1 . 2]" 1
365 1 109 VAL HB 1 110 GLU H 4.500 . 4.500 4.003 3.935 4.081 . 0 0 "[ . 1 . 2]" 1
366 1 37 PRO QB 1 71 GLN HA 6.000 . 6.000 2.729 1.809 3.639 . 0 0 "[ . 1 . 2]" 1
367 1 99 MET QB 1 104 LEU QD 5.500 . 5.500 2.384 2.083 2.734 . 0 0 "[ . 1 . 2]" 1
368 1 49 VAL HB 1 50 GLN H 4.500 . 4.500 3.960 3.796 4.099 . 0 0 "[ . 1 . 2]" 1
369 1 85 MET H 1 85 MET QG . . 3.500 2.366 2.194 2.518 . 0 0 "[ . 1 . 2]" 1
370 1 46 ASN H 1 49 VAL HB 6.000 . 6.000 5.841 5.298 6.063 0.063 4 0 "[ . 1 . 2]" 1
371 1 81 GLN QB 1 85 MET QG 6.000 . 6.000 3.601 3.214 4.300 . 0 0 "[ . 1 . 2]" 1
372 1 42 PRO QB 1 45 ALA MB 6.000 . 6.000 4.224 3.906 4.623 . 0 0 "[ . 1 . 2]" 1
373 1 65 GLN H 1 69 GLU QB 6.000 . 6.000 4.062 3.197 4.856 . 0 0 "[ . 1 . 2]" 1
374 1 61 GLU QB 1 62 SER H . . 3.500 2.264 1.794 3.544 0.044 20 0 "[ . 1 . 2]" 1
375 1 61 GLU H 1 61 GLU QB . . 3.500 2.642 2.228 3.100 . 0 0 "[ . 1 . 2]" 1
376 1 64 PRO QD 1 69 GLU QB 6.000 . 6.000 4.933 4.094 5.944 . 0 0 "[ . 1 . 2]" 1
377 1 40 MET QB 1 43 ILE QG 6.000 . 6.000 5.787 5.152 6.071 0.071 5 0 "[ . 1 . 2]" 1
378 1 27 GLN QB 1 28 GLN H 3.500 . 3.500 2.573 1.860 3.507 0.007 6 0 "[ . 1 . 2]" 1
379 1 94 GLN QB 1 95 LEU H 6.000 . 6.000 3.673 3.028 4.036 . 0 0 "[ . 1 . 2]" 1
380 1 51 GLU H 1 51 GLU QB 3.500 . 3.500 2.281 2.145 2.560 . 0 0 "[ . 1 . 2]" 1
381 1 51 GLU QB 1 52 ARG H . . 4.500 2.883 2.365 3.638 . 0 0 "[ . 1 . 2]" 1
382 1 48 ASP HA 1 51 GLU QB . . 4.500 3.575 2.894 4.584 0.084 19 0 "[ . 1 . 2]" 1
383 1 124 MET QB 1 125 GLN QG 3.500 . 3.500 3.451 3.221 3.626 0.126 17 0 "[ . 1 . 2]" 1
384 1 107 GLU H 1 107 GLU QB 3.500 . 3.500 2.514 2.341 2.723 . 0 0 "[ . 1 . 2]" 1
385 1 71 GLN H 1 71 GLN QB 3.500 . 3.500 2.355 2.211 2.458 . 0 0 "[ . 1 . 2]" 1
386 1 110 GLU QB 1 111 ALA H 4.500 . 4.500 2.579 2.289 2.865 . 0 0 "[ . 1 . 2]" 1
387 1 118 GLU QB 1 119 ALA H 3.500 . 3.500 2.850 2.199 3.546 0.046 3 0 "[ . 1 . 2]" 1
388 1 70 ILE H 1 70 ILE QG . . 4.500 1.933 1.849 2.040 . 0 0 "[ . 1 . 2]" 1
389 1 125 GLN H 1 125 GLN QB 3.500 . 3.500 2.411 2.316 2.497 . 0 0 "[ . 1 . 2]" 1
390 1 38 GLU QB 1 39 ILE H 6.000 . 6.000 3.309 2.709 3.863 . 0 0 "[ . 1 . 2]" 1
391 1 39 ILE H 1 39 ILE QG . . 4.500 2.305 2.150 2.545 . 0 0 "[ . 1 . 2]" 1
392 1 42 PRO QG 1 43 ILE H . . 4.500 3.227 2.320 3.886 . 0 0 "[ . 1 . 2]" 1
393 1 80 GLN H 1 80 GLN QB 3.500 . 3.500 2.557 2.482 2.687 . 0 0 "[ . 1 . 2]" 1
394 1 96 GLY QA 1 97 PRO QG 4.500 . 4.500 3.701 3.547 3.761 . 0 0 "[ . 1 . 2]" 1
395 1 13 ILE H 1 13 ILE QG . . 4.500 3.357 1.990 4.098 . 0 0 "[ . 1 . 2]" 1
396 1 43 ILE H 1 43 ILE QG 4.500 . 4.500 3.477 2.241 3.749 . 0 0 "[ . 1 . 2]" 1
397 1 52 ARG HA 1 52 ARG QG 3.500 . 3.500 2.928 2.629 3.205 . 0 0 "[ . 1 . 2]" 1
398 1 52 ARG H 1 52 ARG QG 4.500 . 4.500 2.495 2.215 2.794 . 0 0 "[ . 1 . 2]" 1
399 1 100 CYS QB 1 101 GLN H 4.500 . 4.500 3.249 2.766 3.779 . 0 0 "[ . 1 . 2]" 1
400 1 37 PRO QG 1 71 GLN HA 6.000 . 6.000 4.238 3.216 5.048 . 0 0 "[ . 1 . 2]" 1
401 1 90 LEU HG 1 91 ALA H 6.000 . 6.000 3.227 2.326 4.898 . 0 0 "[ . 1 . 2]" 1
402 1 14 LEU H 1 14 LEU HG . . 3.500 2.415 2.265 2.824 . 0 0 "[ . 1 . 2]" 1
403 1 10 LEU H 1 10 LEU HG 4.500 . 4.500 2.668 1.812 4.449 . 0 0 "[ . 1 . 2]" 1
404 1 90 LEU HG 1 117 VAL HA 6.000 . 6.000 5.218 3.680 6.010 0.010 13 0 "[ . 1 . 2]" 1
405 1 35 LEU HG 1 120 PHE QD 6.000 . 6.000 3.668 3.028 4.250 . 0 0 "[ . 1 . 2]" 1
406 1 35 LEU HA 1 35 LEU HG 4.500 . 4.500 3.729 3.681 3.781 . 0 0 "[ . 1 . 2]" 1
407 1 35 LEU HG 1 40 MET QB 6.000 . 6.000 4.378 3.613 5.788 . 0 0 "[ . 1 . 2]" 1
408 1 35 LEU HG 1 39 ILE HB 5.500 . 5.500 5.295 4.872 5.659 0.159 2 0 "[ . 1 . 2]" 1
409 1 35 LEU HG 1 121 ALA MB 5.500 . 5.500 5.426 4.833 5.674 0.174 3 0 "[ . 1 . 2]" 1
410 1 35 LEU HG 1 83 LEU QD 4.500 . 4.500 3.399 2.088 4.306 . 0 0 "[ . 1 . 2]" 1
411 1 44 LEU H 1 44 LEU QD . . 4.500 3.359 2.330 3.746 . 0 0 "[ . 1 . 2]" 1
412 1 41 ALA HA 1 44 LEU QD 6.000 . 6.000 4.236 3.676 5.143 . 0 0 "[ . 1 . 2]" 1
413 1 44 LEU QD 1 50 GLN HA 6.000 . 6.000 4.055 3.083 5.681 . 0 0 "[ . 1 . 2]" 1
414 1 53 LEU QD 1 57 LEU HA 4.500 . 4.500 4.166 3.687 4.608 0.108 8 0 "[ . 1 . 2]" 1
415 1 90 LEU QD 1 117 VAL HB 6.000 . 6.000 3.716 3.151 4.336 . 0 0 "[ . 1 . 2]" 1
416 1 90 LEU QD 1 111 ALA MB 6.000 . 6.000 3.383 2.837 4.127 . 0 0 "[ . 1 . 2]" 1
417 1 32 ALA H 1 83 LEU QD 4.500 . 4.500 2.460 1.985 3.255 . 0 0 "[ . 1 . 2]" 1
418 1 90 LEU QD 1 91 ALA H . . 5.500 2.875 2.483 3.755 . 0 0 "[ . 1 . 2]" 1
419 1 122 LYS H 1 122 LYS QG 4.500 . 4.500 2.282 2.021 2.504 . 0 0 "[ . 1 . 2]" 1
420 1 122 LYS QG 1 123 ALA H 6.000 . 6.000 4.136 3.866 4.272 . 0 0 "[ . 1 . 2]" 1
421 1 90 LEU QD 1 116 ASP H 6.000 . 6.000 3.464 2.805 4.415 . 0 0 "[ . 1 . 2]" 1
422 1 90 LEU QD 1 91 ALA HA 6.000 . 6.000 2.705 2.482 4.182 . 0 0 "[ . 1 . 2]" 1
423 1 83 LEU QD 1 86 PHE QB . . 4.500 3.062 2.663 3.444 . 0 0 "[ . 1 . 2]" 1
424 1 40 MET QB 1 83 LEU QD . . 4.500 3.533 2.598 4.073 . 0 0 "[ . 1 . 2]" 1
425 1 32 ALA MB 1 83 LEU QD 3.500 . 3.500 2.548 2.021 3.137 . 0 0 "[ . 1 . 2]" 1
426 1 31 LEU QD 1 121 ALA MB 3.500 . 3.500 2.032 1.833 2.969 . 0 0 "[ . 1 . 2]" 1
427 1 90 LEU QD 1 95 LEU HG 4.500 . 4.500 3.796 2.654 4.464 . 0 0 "[ . 1 . 2]" 1
428 1 90 LEU QD 1 95 LEU QD 5.500 . 5.500 2.853 1.947 3.497 . 0 0 "[ . 1 . 2]" 1
429 1 83 LEU QD 1 84 GLY H 4.500 . 4.500 3.152 2.997 3.275 . 0 0 "[ . 1 . 2]" 1
430 1 94 GLN HA 1 95 LEU QD 6.000 . 6.000 4.303 4.048 4.997 . 0 0 "[ . 1 . 2]" 1
431 1 53 LEU QD 1 86 PHE H 4.500 . 4.500 2.982 2.628 3.495 . 0 0 "[ . 1 . 2]" 1
432 1 53 LEU QD 1 89 ALA H . . 5.500 3.842 3.546 4.362 . 0 0 "[ . 1 . 2]" 1
433 1 53 LEU QD 1 56 TYR QD 4.500 . 4.500 3.503 2.819 4.264 . 0 0 "[ . 1 . 2]" 1
434 1 5 ILE HA 1 7 LEU QD 4.500 . 4.500 3.852 2.403 4.777 0.277 18 0 "[ . 1 . 2]" 1
435 1 14 LEU HA 1 14 LEU QD 3.500 . 3.500 2.154 2.028 3.380 . 0 0 "[ . 1 . 2]" 1
436 1 106 ALA HA 1 109 VAL QG 3.500 . 3.500 1.915 1.831 2.094 . 0 0 "[ . 1 . 2]" 1
437 1 108 ALA MB 1 109 VAL QG 4.500 . 4.500 3.833 3.524 4.015 . 0 0 "[ . 1 . 2]" 1
438 1 49 VAL QG 1 50 GLN H 4.500 . 4.500 2.326 2.212 2.467 . 0 0 "[ . 1 . 2]" 1
439 1 49 VAL H 1 49 VAL QG . . 3.500 1.931 1.848 2.000 . 0 0 "[ . 1 . 2]" 1
440 1 117 VAL QG 1 121 ALA H 6.000 . 6.000 4.657 4.237 4.888 . 0 0 "[ . 1 . 2]" 1
441 1 117 VAL H 1 117 VAL QG 3.500 . 3.500 1.863 1.784 1.951 0.016 14 0 "[ . 1 . 2]" 1
442 1 109 VAL H 1 109 VAL QG 3.500 . 3.500 2.084 1.889 2.264 . 0 0 "[ . 1 . 2]" 1
443 1 45 ALA H 1 49 VAL QG 5.500 . 5.500 4.185 3.773 4.464 . 0 0 "[ . 1 . 2]" 1
444 1 116 ASP HA 1 117 VAL QG 6.000 . 6.000 3.357 3.292 3.458 . 0 0 "[ . 1 . 2]" 1
445 1 91 ALA HA 1 117 VAL QG 6.000 . 6.000 3.776 3.165 4.858 . 0 0 "[ . 1 . 2]" 1
446 1 87 SER HA 1 117 VAL QG 4.500 . 4.500 2.859 2.267 3.797 . 0 0 "[ . 1 . 2]" 1
447 1 91 ALA MB 1 117 VAL QG 3.500 . 3.500 2.234 1.795 3.376 0.005 2 0 "[ . 1 . 2]" 1
448 1 90 LEU QB 1 117 VAL QG 4.500 . 4.500 3.832 2.108 4.666 0.166 11 0 "[ . 1 . 2]" 1
449 1 43 ILE MG 1 49 VAL QG 4.500 . 4.500 2.467 2.211 2.688 . 0 0 "[ . 1 . 2]" 1
450 1 90 LEU QD 1 117 VAL QG 3.500 . 3.500 2.011 1.762 2.580 0.038 9 0 "[ . 1 . 2]" 1
451 1 44 LEU QD 1 86 PHE HA 5.500 . 5.500 4.003 3.674 4.419 . 0 0 "[ . 1 . 2]" 1
452 1 44 LEU QD 1 86 PHE QB 6.000 . 6.000 2.501 2.171 2.956 . 0 0 "[ . 1 . 2]" 1
453 1 44 LEU QD 1 82 ALA H 5.500 . 5.500 5.260 4.824 5.660 0.160 18 0 "[ . 1 . 2]" 1
454 1 44 LEU QD 1 45 ALA H 6.000 . 6.000 4.037 3.606 4.350 . 0 0 "[ . 1 . 2]" 1
455 1 66 THR HA 1 66 THR MG 3.500 . 3.500 2.338 2.231 2.513 . 0 0 "[ . 1 . 2]" 1
456 1 16 THR HA 1 16 THR MG 3.500 . 3.500 2.505 2.274 3.228 . 0 0 "[ . 1 . 2]" 1
457 1 34 VAL QG 1 124 MET QB 3.500 . 3.500 2.291 1.874 3.101 . 0 0 "[ . 1 . 2]" 1
458 1 117 VAL QG 1 120 PHE H 5.500 . 5.500 4.492 4.297 4.656 . 0 0 "[ . 1 . 2]" 1
459 1 88 ALA H 1 117 VAL QG 5.500 . 5.500 4.694 4.166 5.447 . 0 0 "[ . 1 . 2]" 1
460 1 34 VAL QG 1 125 GLN HA 4.500 . 4.500 2.700 2.009 3.911 . 0 0 "[ . 1 . 2]" 1
461 1 117 VAL QG 1 118 GLU HA 4.500 . 4.500 3.320 3.141 3.535 . 0 0 "[ . 1 . 2]" 1
462 1 123 ALA H 1 123 ALA MB 3.500 . 3.500 2.230 2.216 2.242 . 0 0 "[ . 1 . 2]" 1
463 1 108 ALA H 1 108 ALA MB 3.500 . 3.500 2.253 2.233 2.268 . 0 0 "[ . 1 . 2]" 1
464 1 104 LEU HA 1 108 ALA MB 6.000 . 6.000 4.346 3.923 5.226 . 0 0 "[ . 1 . 2]" 1
465 1 104 LEU QB 1 108 ALA MB 4.500 . 4.500 2.323 1.955 3.364 . 0 0 "[ . 1 . 2]" 1
466 1 106 ALA MB 1 107 GLU H 4.500 . 4.500 2.696 2.487 2.944 . 0 0 "[ . 1 . 2]" 1
467 1 106 ALA H 1 106 ALA MB 3.500 . 3.500 2.228 2.218 2.239 . 0 0 "[ . 1 . 2]" 1
468 1 31 LEU H 1 121 ALA MB 6.000 . 6.000 4.836 3.647 5.540 . 0 0 "[ . 1 . 2]" 1
469 1 89 ALA MB 1 90 LEU H 4.500 . 4.500 2.564 2.430 2.759 . 0 0 "[ . 1 . 2]" 1
470 1 86 PHE H 1 89 ALA MB 6.000 . 6.000 4.594 4.399 4.866 . 0 0 "[ . 1 . 2]" 1
471 1 119 ALA MB 1 120 PHE H 4.500 . 4.500 2.632 2.510 2.751 . 0 0 "[ . 1 . 2]" 1
472 1 91 ALA H 1 91 ALA MB 3.500 . 3.500 2.261 2.231 2.276 . 0 0 "[ . 1 . 2]" 1
473 1 111 ALA MB 1 119 ALA H 6.000 . 6.000 3.919 3.553 4.524 . 0 0 "[ . 1 . 2]" 1
474 1 119 ALA H 1 119 ALA MB 3.500 . 3.500 2.236 2.223 2.253 . 0 0 "[ . 1 . 2]" 1
475 1 111 ALA MB 1 116 ASP H . . 5.500 3.684 3.410 4.021 . 0 0 "[ . 1 . 2]" 1
476 1 89 ALA H 1 89 ALA MB 3.500 . 3.500 2.233 2.223 2.244 . 0 0 "[ . 1 . 2]" 1
477 1 111 ALA H 1 111 ALA MB 3.500 . 3.500 2.221 2.203 2.242 . 0 0 "[ . 1 . 2]" 1
478 1 54 LEU H 1 89 ALA MB 6.000 . 6.000 5.566 5.038 5.856 . 0 0 "[ . 1 . 2]" 1
479 1 111 ALA MB 1 120 PHE QD 4.500 . 4.500 2.392 1.948 2.877 . 0 0 "[ . 1 . 2]" 1
480 1 56 TYR QD 1 89 ALA MB 6.000 . 6.000 3.137 2.432 3.595 . 0 0 "[ . 1 . 2]" 1
481 1 56 TYR QE 1 89 ALA MB 4.500 . 4.500 3.603 2.607 4.240 . 0 0 "[ . 1 . 2]" 1
482 1 111 ALA MB 1 120 PHE HA 4.500 . 4.500 2.528 1.975 3.012 . 0 0 "[ . 1 . 2]" 1
483 1 86 PHE HA 1 89 ALA MB 4.500 . 4.500 2.566 2.265 2.981 . 0 0 "[ . 1 . 2]" 1
484 1 111 ALA MB 1 120 PHE QB 4.500 . 4.500 2.133 1.876 2.316 . 0 0 "[ . 1 . 2]" 1
485 1 52 ARG QG 1 89 ALA MB 4.500 . 4.500 3.948 3.185 4.648 0.148 10 0 "[ . 1 . 2]" 1
486 1 111 ALA MB 1 119 ALA MB 3.500 . 3.500 2.255 1.926 2.873 . 0 0 "[ . 1 . 2]" 1
487 1 88 ALA MB 1 89 ALA MB 4.500 . 4.500 3.721 3.581 3.827 . 0 0 "[ . 1 . 2]" 1
488 1 53 LEU QD 1 89 ALA MB 4.500 . 4.500 2.248 1.938 2.955 . 0 0 "[ . 1 . 2]" 1
489 1 89 ALA MB 1 95 LEU QD 4.500 . 4.500 2.947 2.357 3.965 . 0 0 "[ . 1 . 2]" 1
490 1 90 LEU QD 1 112 ALA MB 4.500 . 4.500 2.711 2.122 3.357 . 0 0 "[ . 1 . 2]" 1
491 1 67 ALA H 1 67 ALA MB . . 3.500 2.224 2.216 2.236 . 0 0 "[ . 1 . 2]" 1
492 1 67 ALA MB 1 68 ASP H 4.500 . 4.500 2.732 2.597 2.995 . 0 0 "[ . 1 . 2]" 1
493 1 121 ALA MB 1 122 LYS H 3.500 . 3.500 2.408 2.299 2.527 . 0 0 "[ . 1 . 2]" 1
494 1 45 ALA H 1 67 ALA MB 6.000 . 6.000 4.422 3.908 5.327 . 0 0 "[ . 1 . 2]" 1
495 1 66 THR HB 1 67 ALA MB 6.000 . 6.000 4.215 3.766 4.560 . 0 0 "[ . 1 . 2]" 1
496 1 42 PRO HA 1 67 ALA MB 4.500 . 4.500 2.912 2.190 4.033 . 0 0 "[ . 1 . 2]" 1
497 1 43 ILE MG 1 44 LEU H . . 4.500 2.957 2.756 3.274 . 0 0 "[ . 1 . 2]" 1
498 1 43 ILE MG 1 45 ALA H 6.000 . 6.000 4.490 4.336 4.660 . 0 0 "[ . 1 . 2]" 1
499 1 43 ILE H 1 43 ILE MG . . 4.500 3.686 3.598 3.770 . 0 0 "[ . 1 . 2]" 1
500 1 43 ILE MG 1 44 LEU HA 6.000 . 6.000 3.033 2.953 3.255 . 0 0 "[ . 1 . 2]" 1
501 1 43 ILE MG 1 49 VAL HA 6.000 . 6.000 5.822 5.478 6.164 0.164 18 0 "[ . 1 . 2]" 1
502 1 82 ALA H 1 82 ALA MB 3.500 . 3.500 2.233 2.219 2.251 . 0 0 "[ . 1 . 2]" 1
503 1 39 ILE H 1 39 ILE MG . . 4.500 3.825 3.798 3.847 . 0 0 "[ . 1 . 2]" 1
504 1 39 ILE MG 1 40 MET QB 5.500 . 5.500 4.242 4.038 4.724 . 0 0 "[ . 1 . 2]" 1
505 1 35 LEU QB 1 39 ILE MG 6.000 . 6.000 4.225 3.875 4.711 . 0 0 "[ . 1 . 2]" 1
506 1 44 LEU QD 1 82 ALA MB 3.500 . 3.500 2.516 1.994 2.946 . 0 0 "[ . 1 . 2]" 1
507 1 41 ALA H 1 41 ALA MB 3.500 . 3.500 2.250 2.227 2.271 . 0 0 "[ . 1 . 2]" 1
508 1 41 ALA MB 1 68 ASP HA 6.000 . 6.000 4.892 4.368 5.263 . 0 0 "[ . 1 . 2]" 1
509 1 37 PRO HA 1 41 ALA MB 4.500 . 4.500 3.798 3.048 4.267 . 0 0 "[ . 1 . 2]" 1
510 1 41 ALA MB 1 42 PRO QB 6.000 . 6.000 4.281 4.072 4.457 . 0 0 "[ . 1 . 2]" 1
511 1 41 ALA MB 1 67 ALA MB 3.500 . 3.500 2.057 1.842 2.278 . 0 0 "[ . 1 . 2]" 1
512 1 41 ALA MB 1 70 ILE QG 6.000 . 6.000 3.746 3.415 4.323 . 0 0 "[ . 1 . 2]" 1
513 1 41 ALA MB 1 70 ILE MG 4.500 . 4.500 2.711 2.382 3.529 . 0 0 "[ . 1 . 2]" 1
514 1 41 ALA MB 1 70 ILE MD 5.500 . 5.500 2.720 2.391 3.029 . 0 0 "[ . 1 . 2]" 1
515 1 41 ALA H 1 70 ILE MD 5.500 . 5.500 4.098 3.609 4.343 . 0 0 "[ . 1 . 2]" 1
516 1 70 ILE H 1 70 ILE MD 4.500 . 4.500 3.462 3.380 3.562 . 0 0 "[ . 1 . 2]" 1
517 1 45 ALA H 1 70 ILE MD 4.500 . 4.500 3.645 3.252 3.984 . 0 0 "[ . 1 . 2]" 1
518 1 36 THR H 1 39 ILE MD 4.500 . 4.500 3.203 1.933 4.309 . 0 0 "[ . 1 . 2]" 1
519 1 43 ILE H 1 70 ILE MD 6.000 . 6.000 4.948 4.578 5.213 . 0 0 "[ . 1 . 2]" 1
520 1 35 LEU HA 1 39 ILE MD 4.500 . 4.500 3.720 2.252 4.765 0.265 20 0 "[ . 1 . 2]" 1
521 1 39 ILE HB 1 39 ILE MD 3.500 . 3.500 2.796 2.396 3.243 . 0 0 "[ . 1 . 2]" 1
522 1 35 LEU QB 1 39 ILE MD 6.000 . 6.000 5.122 4.085 6.076 0.076 6 0 "[ . 1 . 2]" 1
523 1 45 ALA MB 1 70 ILE MD 3.500 . 3.500 3.276 2.784 3.599 0.099 20 0 "[ . 1 . 2]" 1
524 1 70 ILE MG 1 79 PHE HA 4.500 . 4.500 3.848 3.410 4.296 . 0 0 "[ . 1 . 2]" 1
525 1 5 ILE HA 1 6 GLN H . . 3.500 2.360 2.120 3.548 0.048 13 0 "[ . 1 . 2]" 1
526 1 33 SER HA 1 34 VAL H 6.000 . 6.000 3.452 3.352 3.553 . 0 0 "[ . 1 . 2]" 1
527 1 19 VAL HA 1 20 PRO QD 3.500 . 3.500 1.969 1.838 2.080 . 0 0 "[ . 1 . 2]" 1
528 1 94 GLN HA 1 115 GLY H 6.000 . 6.000 4.469 3.940 5.823 . 0 0 "[ . 1 . 2]" 1
529 1 16 THR H 1 16 THR MG . . 4.500 3.497 1.908 4.045 . 0 0 "[ . 1 . 2]" 1
530 1 16 THR MG 1 18 ASN H 6.000 . 6.000 4.752 3.623 5.887 . 0 0 "[ . 1 . 2]" 1
531 1 66 THR MG 1 68 ASP H 6.000 . 6.000 4.256 4.067 4.530 . 0 0 "[ . 1 . 2]" 1
532 1 66 THR MG 1 67 ALA H 4.500 . 4.500 3.724 3.432 4.053 . 0 0 "[ . 1 . 2]" 1
533 1 65 GLN H 1 66 THR MG . . 4.500 4.227 3.518 4.633 0.133 5 0 "[ . 1 . 2]" 1
534 1 34 VAL QG 1 121 ALA MB 3.500 . 3.500 2.381 1.879 3.165 . 0 0 "[ . 1 . 2]" 1
535 1 117 VAL QG 1 119 ALA H 6.000 . 6.000 4.360 4.147 4.608 . 0 0 "[ . 1 . 2]" 1
536 1 128 ALA H 1 128 ALA MB 3.500 . 3.500 2.303 2.224 2.630 . 0 0 "[ . 1 . 2]" 1
537 1 45 ALA MB 1 66 THR HA 6.000 . 6.000 2.923 2.107 3.993 . 0 0 "[ . 1 . 2]" 1
538 1 45 ALA MB 1 46 ASN H . . 4.500 3.264 3.075 3.490 . 0 0 "[ . 1 . 2]" 1
539 1 45 ALA H 1 45 ALA MB 3.500 . 3.500 2.261 2.243 2.287 . 0 0 "[ . 1 . 2]" 1
540 1 47 ALA MB 1 48 ASP H 4.500 . 4.500 2.798 2.615 2.917 . 0 0 "[ . 1 . 2]" 1
541 1 15 ALA H 1 15 ALA MB . . 3.500 2.275 2.235 2.388 . 0 0 "[ . 1 . 2]" 1
542 1 47 ALA H 1 47 ALA MB 3.500 . 3.500 2.232 2.221 2.244 . 0 0 "[ . 1 . 2]" 1
543 1 45 ALA MB 1 67 ALA H 6.000 . 6.000 2.760 1.939 3.701 . 0 0 "[ . 1 . 2]" 1
544 1 88 ALA H 1 88 ALA MB 3.500 . 3.500 2.239 2.228 2.254 . 0 0 "[ . 1 . 2]" 1
545 1 88 ALA MB 1 89 ALA H . . 3.500 2.534 2.310 2.691 . 0 0 "[ . 1 . 2]" 1
546 1 82 ALA MB 1 83 LEU H 4.500 . 4.500 2.460 2.340 2.609 . 0 0 "[ . 1 . 2]" 1
547 1 39 ILE MG 1 40 MET H . . 4.500 3.547 3.354 3.673 . 0 0 "[ . 1 . 2]" 1
548 1 39 ILE H 1 39 ILE MD . . 4.500 3.561 3.168 3.844 . 0 0 "[ . 1 . 2]" 1
549 1 40 MET HA 1 70 ILE MD 5.500 . 5.500 5.314 4.672 5.623 0.123 14 0 "[ . 1 . 2]" 1
550 1 44 LEU H 1 44 LEU HG 4.500 . 4.500 4.237 2.552 4.541 0.041 2 0 "[ . 1 . 2]" 1
551 1 47 ALA H 1 48 ASP H 4.500 . 4.500 2.608 2.481 2.965 . 0 0 "[ . 1 . 2]" 1
552 1 46 ASN HA 1 47 ALA H 3.500 . 3.500 2.150 2.123 2.187 . 0 0 "[ . 1 . 2]" 1
553 1 46 ASN H 1 47 ALA H 5.500 . 5.500 4.497 4.385 4.598 . 0 0 "[ . 1 . 2]" 1
554 1 106 ALA H 1 107 GLU H 4.500 . 4.500 2.696 2.584 2.804 . 0 0 "[ . 1 . 2]" 1
555 1 30 ASP QB 1 31 LEU H 5.500 . 5.500 3.691 2.986 3.980 . 0 0 "[ . 1 . 2]" 1
556 1 67 ALA H 1 68 ASP H 4.500 . 4.500 2.602 2.395 2.778 . 0 0 "[ . 1 . 2]" 1
557 1 66 THR HA 1 67 ALA H 3.500 . 3.500 2.245 2.115 2.483 . 0 0 "[ . 1 . 2]" 1
558 1 30 ASP H 1 31 LEU H 4.500 . 4.500 4.299 4.136 4.507 0.007 12 0 "[ . 1 . 2]" 1
559 1 116 ASP HA 1 117 VAL H 3.500 . 3.500 2.157 2.101 2.241 . 0 0 "[ . 1 . 2]" 1
560 1 29 VAL QG 1 30 ASP H 4.500 . 4.500 2.266 1.820 3.267 . 0 0 "[ . 1 . 2]" 1
561 1 90 LEU QD 1 117 VAL H 5.500 . 5.500 3.727 3.295 4.424 . 0 0 "[ . 1 . 2]" 1
562 1 116 ASP H 1 117 VAL H 5.500 . 5.500 4.150 3.920 4.354 . 0 0 "[ . 1 . 2]" 1
563 1 5 ILE HA 1 7 LEU H 5.500 . 5.500 4.810 3.425 5.714 0.214 2 0 "[ . 1 . 2]" 1
564 1 6 GLN H 1 6 GLN QG 4.500 . 4.500 2.688 1.894 4.294 . 0 0 "[ . 1 . 2]" 1
565 1 6 GLN QB 1 7 LEU H 4.500 . 4.500 3.133 1.864 4.001 . 0 0 "[ . 1 . 2]" 1
566 1 39 ILE H 1 41 ALA H 5.500 . 5.500 3.685 3.459 3.869 . 0 0 "[ . 1 . 2]" 1
567 1 20 PRO HA 1 21 ALA H 3.500 . 3.500 2.237 2.143 2.404 . 0 0 "[ . 1 . 2]" 1
568 1 37 PRO HA 1 41 ALA H 4.500 . 4.500 3.520 3.021 3.833 . 0 0 "[ . 1 . 2]" 1
569 1 37 PRO QG 1 41 ALA H 6.000 . 6.000 5.937 5.713 6.126 0.126 7 0 "[ . 1 . 2]" 1
570 1 41 ALA H 1 70 ILE MG 5.500 . 5.500 3.504 3.052 4.062 . 0 0 "[ . 1 . 2]" 1
571 1 23 PRO QB 1 24 ALA H . . 4.500 3.042 1.992 3.743 . 0 0 "[ . 1 . 2]" 1
572 1 23 PRO HA 1 24 ALA H 3.500 . 3.500 2.427 2.153 3.505 0.005 13 0 "[ . 1 . 2]" 1
573 1 56 TYR H 1 57 LEU H 3.500 . 3.500 2.570 2.233 3.277 . 0 0 "[ . 1 . 2]" 1
574 1 56 TYR HA 1 57 LEU H 4.500 . 4.500 2.940 2.586 3.290 . 0 0 "[ . 1 . 2]" 1
575 1 54 LEU HA 1 57 LEU H 4.500 . 4.500 4.213 3.657 4.633 0.133 18 0 "[ . 1 . 2]" 1
576 1 56 TYR QD 1 57 LEU H 5.500 . 5.500 4.882 4.552 5.003 . 0 0 "[ . 1 . 2]" 1
577 1 70 ILE MG 1 82 ALA H 6.000 . 6.000 6.068 5.640 6.290 0.290 8 0 "[ . 1 . 2]" 1
578 1 82 ALA H 1 83 LEU H 3.500 . 3.500 2.649 2.539 2.791 . 0 0 "[ . 1 . 2]" 1
579 1 81 GLN QB 1 82 ALA H 3.500 . 3.500 2.482 2.241 2.724 . 0 0 "[ . 1 . 2]" 1
580 1 132 GLN QB 1 133 LYS H 4.500 . 4.500 3.453 1.897 4.038 . 0 0 "[ . 1 . 2]" 1
581 1 88 ALA H 1 89 ALA H 4.500 . 4.500 2.598 2.483 2.765 . 0 0 "[ . 1 . 2]" 1
582 1 132 GLN QG 1 133 LYS H 5.500 . 5.500 3.639 2.638 4.843 . 0 0 "[ . 1 . 2]" 1
583 1 140 LYS H 1 141 LYS H 4.500 . 4.500 3.004 1.680 4.508 0.120 3 0 "[ . 1 . 2]" 1
584 1 57 LEU QB 1 63 LEU H 4.500 . 4.500 4.371 3.857 4.760 0.260 11 0 "[ . 1 . 2]" 1
585 1 137 THR MG 1 138 LYS H 6.000 . 6.000 3.540 1.908 4.289 . 0 0 "[ . 1 . 2]" 1
586 1 57 LEU QD 1 63 LEU H 4.500 . 4.500 2.715 1.962 3.751 . 0 0 "[ . 1 . 2]" 1
587 1 125 GLN HA 1 128 ALA H 4.500 . 4.500 3.789 3.414 4.122 . 0 0 "[ . 1 . 2]" 1
588 1 127 ASN QB 1 128 ALA H . . 4.500 2.645 2.359 3.430 . 0 0 "[ . 1 . 2]" 1
589 1 13 ILE MG 1 14 LEU H 4.500 . 4.500 3.068 2.348 4.256 . 0 0 "[ . 1 . 2]" 1
590 1 13 ILE H 1 14 LEU H 4.500 . 4.500 2.495 2.251 2.691 . 0 0 "[ . 1 . 2]" 1
591 1 124 MET H 1 128 ALA H 6.000 . 6.000 5.910 5.653 6.201 0.201 7 0 "[ . 1 . 2]" 1
592 1 79 PHE H 1 80 GLN H 4.500 . 4.500 2.724 2.564 2.889 . 0 0 "[ . 1 . 2]" 1
593 1 13 ILE H 1 15 ALA H 4.500 . 4.500 4.155 3.771 4.548 0.048 10 0 "[ . 1 . 2]" 1
594 1 133 LYS HA 1 134 GLU H 3.500 . 3.500 2.395 2.112 3.554 0.054 1 0 "[ . 1 . 2]" 1
595 1 14 LEU HA 1 15 ALA H 4.500 . 4.500 3.187 2.981 3.498 . 0 0 "[ . 1 . 2]" 1
596 1 14 LEU HG 1 15 ALA H 4.500 . 4.500 4.566 3.732 4.754 0.254 7 0 "[ . 1 . 2]" 1
597 1 14 LEU QB 1 15 ALA H 4.500 . 4.500 3.443 2.737 3.990 . 0 0 "[ . 1 . 2]" 1
598 1 48 ASP HA 1 49 VAL H 4.500 . 4.500 3.551 3.527 3.575 . 0 0 "[ . 1 . 2]" 1
599 1 131 GLU HA 1 132 GLN H 3.500 . 3.500 2.364 2.101 3.537 0.037 2 0 "[ . 1 . 2]" 1
600 1 83 LEU QB 1 85 MET H 5.500 . 5.500 4.746 4.486 4.882 . 0 0 "[ . 1 . 2]" 1
601 1 53 LEU QD 1 85 MET H 6.000 . 6.000 4.333 3.998 5.061 . 0 0 "[ . 1 . 2]" 1
602 1 84 GLY H 1 85 MET H 4.500 . 4.500 2.748 2.579 2.841 . 0 0 "[ . 1 . 2]" 1
603 1 48 ASP H 1 49 VAL H 3.500 . 3.500 2.770 2.698 2.866 . 0 0 "[ . 1 . 2]" 1
604 1 132 GLN H 1 132 GLN QG 4.500 . 4.500 3.483 1.867 4.257 . 0 0 "[ . 1 . 2]" 1
605 1 47 ALA MB 1 49 VAL H 5.500 . 5.500 4.745 4.599 4.910 . 0 0 "[ . 1 . 2]" 1
606 1 90 LEU H 1 91 ALA H 4.500 . 4.500 2.558 2.459 2.724 . 0 0 "[ . 1 . 2]" 1
607 1 89 ALA H 1 90 LEU H 4.500 . 4.500 2.721 2.534 2.845 . 0 0 "[ . 1 . 2]" 1
608 1 46 ASN H 1 49 VAL H 6.000 . 6.000 4.645 4.391 5.123 . 0 0 "[ . 1 . 2]" 1
609 1 10 LEU HA 1 13 ILE H 5.500 . 5.500 3.686 3.154 4.504 . 0 0 "[ . 1 . 2]" 1
610 1 90 LEU H 1 95 LEU HG 4.500 . 4.500 4.409 3.975 4.668 0.168 14 0 "[ . 1 . 2]" 1
611 1 90 LEU H 1 95 LEU QD 4.500 . 4.500 3.766 3.472 4.133 . 0 0 "[ . 1 . 2]" 1
612 1 12 SER HA 1 13 ILE H 4.500 . 4.500 3.449 3.322 3.543 . 0 0 "[ . 1 . 2]" 1
613 1 111 ALA MB 1 120 PHE H 4.500 . 4.500 2.532 2.360 2.920 . 0 0 "[ . 1 . 2]" 1
614 1 29 VAL H 1 29 VAL QG 3.500 . 3.500 2.386 1.854 2.731 . 0 0 "[ . 1 . 2]" 1
615 1 89 ALA H 1 91 ALA H 4.500 . 4.500 4.134 3.943 4.425 . 0 0 "[ . 1 . 2]" 1
616 1 147 MET H 1 147 MET QB 3.500 . 3.500 2.600 2.223 3.431 . 0 0 "[ . 1 . 2]" 1
617 1 120 PHE H 1 123 ALA MB 5.500 . 5.500 4.660 4.411 4.902 . 0 0 "[ . 1 . 2]" 1
618 1 27 GLN HA 1 28 GLN H 3.500 . 3.500 2.853 2.088 3.566 0.066 18 0 "[ . 1 . 2]" 1
619 1 107 GLU H 1 108 ALA H 4.500 . 4.500 2.640 2.529 2.742 . 0 0 "[ . 1 . 2]" 1
620 1 7 LEU H 1 9 ASP H 4.500 . 4.500 4.239 3.438 4.765 0.265 7 0 "[ . 1 . 2]" 1
621 1 128 ALA H 1 129 LYS H 4.500 . 4.500 3.091 2.323 4.600 0.100 6 0 "[ . 1 . 2]" 1
622 1 9 ASP HA 1 10 LEU H 4.500 . 4.500 3.477 3.372 3.557 . 0 0 "[ . 1 . 2]" 1
623 1 146 ASP HA 1 147 MET H 4.500 . 4.500 3.496 3.417 3.556 . 0 0 "[ . 1 . 2]" 1
624 1 128 ALA HA 1 129 LYS H 3.500 . 3.500 3.196 2.109 3.566 0.066 20 0 "[ . 1 . 2]" 1
625 1 99 MET QG 1 108 ALA H 6.000 . 6.000 5.934 5.000 6.229 0.229 12 0 "[ . 1 . 2]" 1
626 1 145 GLU H 1 145 GLU QG 4.500 . 4.500 2.263 1.871 4.054 . 0 0 "[ . 1 . 2]" 1
627 1 140 LYS H 1 142 ASP H 4.500 . 4.500 4.158 2.670 4.767 0.267 8 0 "[ . 1 . 2]" 1
628 1 140 LYS H 1 140 LYS QE 4.500 . 4.500 4.293 3.443 4.711 0.211 12 0 "[ . 1 . 2]" 1
629 1 107 GLU QG 1 108 ALA H 5.500 . 5.500 4.274 2.408 4.644 . 0 0 "[ . 1 . 2]" 1
630 1 99 MET QB 1 108 ALA H 5.500 . 5.500 5.329 4.670 5.640 0.140 17 0 "[ . 1 . 2]" 1
631 1 107 GLU QB 1 108 ALA H 3.500 . 3.500 2.802 2.599 3.580 0.080 11 0 "[ . 1 . 2]" 1
632 1 106 ALA MB 1 108 ALA H 4.500 . 4.500 4.454 4.328 4.535 0.035 10 0 "[ . 1 . 2]" 1
633 1 34 VAL H 1 35 LEU H 3.500 . 3.500 1.974 1.821 2.373 . 0 0 "[ . 1 . 2]" 1
634 1 5 ILE H 1 5 ILE MG 4.500 . 4.500 3.882 2.478 4.082 . 0 0 "[ . 1 . 2]" 1
635 1 130 PRO HA 1 131 GLU H 3.500 . 3.500 2.604 2.180 3.567 0.067 12 0 "[ . 1 . 2]" 1
636 1 130 PRO QD 1 131 GLU H 5.500 . 5.500 4.265 2.432 4.978 . 0 0 "[ . 1 . 2]" 1
637 1 69 GLU H 1 70 ILE H 4.500 . 4.500 2.624 2.492 2.761 . 0 0 "[ . 1 . 2]" 1
638 1 70 ILE H 1 70 ILE MG 4.500 . 4.500 3.775 3.758 3.803 . 0 0 "[ . 1 . 2]" 1
639 1 121 ALA H 1 122 LYS H 4.500 . 4.500 2.673 2.570 2.820 . 0 0 "[ . 1 . 2]" 1
640 1 56 TYR QD 1 89 ALA H 5.500 . 5.500 4.612 4.206 5.438 . 0 0 "[ . 1 . 2]" 1
641 1 56 TYR QE 1 89 ALA H 5.500 . 5.500 4.816 4.253 5.932 0.432 7 0 "[ . 1 . 2]" 1
642 1 86 PHE HA 1 89 ALA H 4.500 . 4.500 3.431 3.272 3.703 . 0 0 "[ . 1 . 2]" 1
643 1 124 MET H 1 125 GLN H 3.500 . 3.500 2.584 2.457 2.692 . 0 0 "[ . 1 . 2]" 1
644 1 120 PHE QD 1 121 ALA H 4.500 . 4.500 3.614 3.331 3.935 . 0 0 "[ . 1 . 2]" 1
645 1 124 MET HA 1 125 GLN H 4.500 . 4.500 3.510 3.373 3.540 . 0 0 "[ . 1 . 2]" 1
646 1 32 ALA H 1 33 SER HA 5.500 . 5.500 5.218 5.130 5.272 . 0 0 "[ . 1 . 2]" 1
647 1 118 GLU HA 1 121 ALA H 4.500 . 4.500 3.368 2.991 3.746 . 0 0 "[ . 1 . 2]" 1
648 1 32 ALA H 1 35 LEU QB 5.500 . 5.500 4.312 3.933 5.041 . 0 0 "[ . 1 . 2]" 1
649 1 121 ALA H 1 123 ALA MB 5.500 . 5.500 4.719 4.462 4.948 . 0 0 "[ . 1 . 2]" 1
650 1 34 VAL QG 1 125 GLN H 4.500 . 4.500 3.027 2.529 4.141 . 0 0 "[ . 1 . 2]" 1
651 1 118 GLU H 1 119 ALA H 3.500 . 3.500 2.601 2.417 2.797 . 0 0 "[ . 1 . 2]" 1
652 1 122 LYS HA 1 125 GLN H 4.500 . 4.500 3.338 3.045 3.554 . 0 0 "[ . 1 . 2]" 1
653 1 117 VAL HA 1 118 GLU H 4.500 . 4.500 3.476 3.425 3.539 . 0 0 "[ . 1 . 2]" 1
654 1 118 GLU H 1 118 GLU QB 3.500 . 3.500 2.485 2.305 2.660 . 0 0 "[ . 1 . 2]" 1
655 1 124 MET QB 1 125 GLN H 3.500 . 3.500 2.689 2.474 3.146 . 0 0 "[ . 1 . 2]" 1
656 1 89 ALA H 1 91 ALA MB 5.500 . 5.500 4.993 4.682 5.416 . 0 0 "[ . 1 . 2]" 1
657 1 32 ALA H 1 33 SER H 3.500 . 3.500 2.694 2.541 2.767 . 0 0 "[ . 1 . 2]" 1
658 1 30 ASP HA 1 32 ALA H 5.500 . 5.500 3.526 3.200 3.905 . 0 0 "[ . 1 . 2]" 1
659 1 118 GLU H 1 121 ALA MB 5.500 . 5.500 4.891 4.672 5.236 . 0 0 "[ . 1 . 2]" 1
660 1 31 LEU H 1 32 ALA H 4.500 . 4.500 2.563 2.485 2.677 . 0 0 "[ . 1 . 2]" 1
661 1 104 LEU QB 1 109 VAL H 5.500 . 5.500 4.182 3.613 4.792 . 0 0 "[ . 1 . 2]" 1
662 1 108 ALA MB 1 109 VAL H 3.500 . 3.500 2.573 2.451 2.709 . 0 0 "[ . 1 . 2]" 1
663 1 120 PHE H 1 123 ALA H 5.500 . 5.500 4.651 4.509 4.785 . 0 0 "[ . 1 . 2]" 1
664 1 122 LYS QD 1 123 ALA H 5.500 . 5.500 4.790 4.611 4.918 . 0 0 "[ . 1 . 2]" 1
665 1 123 ALA H 1 124 MET H 3.500 . 3.500 2.733 2.648 2.818 . 0 0 "[ . 1 . 2]" 1
666 1 122 LYS HA 1 123 ALA H 4.500 . 4.500 3.524 3.494 3.552 . 0 0 "[ . 1 . 2]" 1
667 1 121 ALA MB 1 123 ALA H 5.500 . 5.500 4.449 4.311 4.583 . 0 0 "[ . 1 . 2]" 1
668 1 119 ALA MB 1 123 ALA H 4.500 . 4.500 4.462 4.161 4.625 0.125 9 0 "[ . 1 . 2]" 1
669 1 121 ALA H 1 123 ALA H 5.500 . 5.500 4.073 3.904 4.225 . 0 0 "[ . 1 . 2]" 1
670 1 122 LYS H 1 123 ALA H . . 3.500 2.708 2.609 2.831 . 0 0 "[ . 1 . 2]" 1
671 1 60 GLY H 1 61 GLU H 4.500 . 4.500 2.619 2.059 3.372 . 0 0 "[ . 1 . 2]" 1
672 1 61 GLU H 1 62 SER H 4.500 . 4.500 3.100 2.292 4.172 . 0 0 "[ . 1 . 2]" 1
673 1 80 GLN HA 1 81 GLN H 4.500 . 4.500 3.491 3.468 3.525 . 0 0 "[ . 1 . 2]" 1
674 1 81 GLN H 1 81 GLN QB 3.500 . 3.500 2.384 2.158 2.515 . 0 0 "[ . 1 . 2]" 1
675 1 57 LEU QD 1 61 GLU H 5.500 . 5.500 4.708 3.834 5.558 0.058 20 0 "[ . 1 . 2]" 1
676 1 90 LEU QD 1 112 ALA H 5.500 . 5.500 3.896 3.398 4.347 . 0 0 "[ . 1 . 2]" 1
677 1 112 ALA H 1 120 PHE QD 4.500 . 4.500 3.803 3.100 4.587 0.087 7 0 "[ . 1 . 2]" 1
678 1 111 ALA MB 1 112 ALA H 4.500 . 4.500 2.413 2.231 2.558 . 0 0 "[ . 1 . 2]" 1
679 1 112 ALA H 1 112 ALA MB 3.500 . 3.500 2.243 2.227 2.271 . 0 0 "[ . 1 . 2]" 1
680 1 110 GLU HA 1 113 ASN H 4.500 . 4.500 3.472 3.181 3.930 . 0 0 "[ . 1 . 2]" 1
681 1 108 ALA MB 1 110 GLU H 5.500 . 5.500 4.536 4.404 4.684 . 0 0 "[ . 1 . 2]" 1
682 1 99 MET QB 1 113 ASN H 6.000 . 6.000 5.775 5.424 6.031 0.031 19 0 "[ . 1 . 2]" 1
683 1 45 ALA H 1 46 ASN H 3.500 . 3.500 2.573 2.392 2.846 . 0 0 "[ . 1 . 2]" 1
684 1 46 ASN H 1 49 VAL QG 4.500 . 4.500 2.852 2.496 3.016 . 0 0 "[ . 1 . 2]" 1
685 1 53 LEU QD 1 54 LEU H 5.500 . 5.500 4.028 3.952 4.088 . 0 0 "[ . 1 . 2]" 1
686 1 53 LEU H 1 54 LEU H 3.500 . 3.500 2.381 2.157 2.558 . 0 0 "[ . 1 . 2]" 1
687 1 85 MET QG 1 86 PHE H 5.500 . 5.500 4.156 4.029 4.282 . 0 0 "[ . 1 . 2]" 1
688 1 114 LYS QB 1 116 ASP H 4.500 . 4.500 3.098 2.414 3.542 . 0 0 "[ . 1 . 2]" 1
689 1 116 ASP H 1 119 ALA MB 4.500 . 4.500 4.283 3.626 4.589 0.089 9 0 "[ . 1 . 2]" 1
690 1 54 LEU H 1 54 LEU QD 4.500 . 4.500 3.001 2.144 3.669 . 0 0 "[ . 1 . 2]" 1
691 1 86 PHE H 1 87 SER H 4.500 . 4.500 2.678 2.587 2.768 . 0 0 "[ . 1 . 2]" 1
692 1 84 GLY H 1 86 PHE H 4.500 . 4.500 4.143 4.061 4.283 . 0 0 "[ . 1 . 2]" 1
693 1 85 MET H 1 86 PHE H 4.500 . 4.500 2.615 2.498 2.711 . 0 0 "[ . 1 . 2]" 1
694 1 115 GLY QA 1 116 ASP H 4.500 . 4.500 2.724 2.622 2.878 . 0 0 "[ . 1 . 2]" 1
695 1 85 MET QB 1 86 PHE H 4.500 . 4.500 2.643 2.425 2.784 . 0 0 "[ . 1 . 2]" 1
696 1 103 GLY H 1 104 LEU H 4.500 . 4.500 2.288 1.788 2.778 0.012 15 0 "[ . 1 . 2]" 1
697 1 102 PHE H 1 104 LEU H 5.500 . 5.500 4.033 3.409 4.692 . 0 0 "[ . 1 . 2]" 1
698 1 102 PHE QB 1 104 LEU H . . 4.500 3.811 2.927 4.535 0.035 7 0 "[ . 1 . 2]" 1
699 1 11 GLN H 1 11 GLN QG 4.500 . 4.500 2.697 2.054 4.090 . 0 0 "[ . 1 . 2]" 1
700 1 104 LEU H 1 104 LEU QD 4.500 . 4.500 2.820 2.097 3.524 . 0 0 "[ . 1 . 2]" 1
701 1 38 GLU H 1 39 ILE H 4.500 . 4.500 2.647 2.549 2.733 . 0 0 "[ . 1 . 2]" 1
702 1 39 ILE H 1 40 MET H 3.500 . 3.500 2.226 2.128 2.346 . 0 0 "[ . 1 . 2]" 1
703 1 36 THR H 1 39 ILE H . . 4.500 3.953 3.561 4.398 . 0 0 "[ . 1 . 2]" 1
704 1 37 PRO HA 1 39 ILE H 4.500 . 4.500 4.027 3.917 4.247 . 0 0 "[ . 1 . 2]" 1
705 1 38 GLU QG 1 39 ILE H 4.500 . 4.500 3.572 2.542 4.533 0.033 17 0 "[ . 1 . 2]" 1
706 1 126 ASN H 1 127 ASN H 4.500 . 4.500 2.517 2.193 2.799 . 0 0 "[ . 1 . 2]" 1
707 1 124 MET HA 1 127 ASN H 4.500 . 4.500 3.446 3.026 4.195 . 0 0 "[ . 1 . 2]" 1
708 1 125 GLN QB 1 127 ASN H 6.000 . 6.000 4.439 4.261 4.778 . 0 0 "[ . 1 . 2]" 1
709 1 48 ASP H 1 50 GLN H 4.500 . 4.500 3.899 3.766 4.052 . 0 0 "[ . 1 . 2]" 1
710 1 48 ASP H 1 49 VAL QG 4.500 . 4.500 3.742 3.630 3.817 . 0 0 "[ . 1 . 2]" 1
711 1 48 ASP H 1 49 VAL HA 6.000 . 6.000 5.335 5.255 5.409 . 0 0 "[ . 1 . 2]" 1
712 1 64 PRO QB 1 69 GLU H 5.500 . 5.500 4.616 3.834 5.588 0.088 12 0 "[ . 1 . 2]" 1
713 1 66 THR MG 1 69 GLU H 5.500 . 5.500 4.538 4.441 4.763 . 0 0 "[ . 1 . 2]" 1
714 1 68 ASP H 1 69 GLU H 4.500 . 4.500 2.766 2.577 2.830 . 0 0 "[ . 1 . 2]" 1
715 1 101 GLN H 1 102 PHE H . . 3.500 2.564 2.377 2.717 . 0 0 "[ . 1 . 2]" 1
716 1 83 LEU H 1 83 LEU QD 4.500 . 4.500 3.651 3.604 3.671 . 0 0 "[ . 1 . 2]" 1
717 1 83 LEU H 1 84 GLY H 4.500 . 4.500 2.747 2.627 2.854 . 0 0 "[ . 1 . 2]" 1
718 1 83 LEU H 1 83 LEU HG 4.500 . 4.500 4.543 4.513 4.555 0.055 2 0 "[ . 1 . 2]" 1
719 1 81 GLN QB 1 83 LEU H 5.500 . 5.500 4.659 4.401 4.834 . 0 0 "[ . 1 . 2]" 1
720 1 70 ILE MG 1 83 LEU H 6.000 . 6.000 5.826 5.291 6.069 0.069 14 0 "[ . 1 . 2]" 1
721 1 122 LYS HA 1 126 ASN H 5.500 . 5.500 3.950 3.314 4.540 . 0 0 "[ . 1 . 2]" 1
722 1 125 GLN QB 1 126 ASN H 4.500 . 4.500 2.439 2.068 2.992 . 0 0 "[ . 1 . 2]" 1
723 1 148 SER H 1 149 LEU H 4.500 . 4.500 3.859 1.761 4.551 0.051 16 0 "[ . 1 . 2]" 1
724 1 124 MET H 1 126 ASN H 5.500 . 5.500 4.305 3.955 4.741 . 0 0 "[ . 1 . 2]" 1
725 1 124 MET HA 1 126 ASN H 5.500 . 5.500 4.532 3.751 5.150 . 0 0 "[ . 1 . 2]" 1
726 1 34 VAL QG 1 126 ASN H 5.500 . 5.500 4.832 4.365 5.590 0.090 4 0 "[ . 1 . 2]" 1
727 1 50 GLN H 1 51 GLU H 4.500 . 4.500 2.679 2.561 2.792 . 0 0 "[ . 1 . 2]" 1
728 1 80 GLN H 1 81 GLN H 4.500 . 4.500 2.609 2.528 2.716 . 0 0 "[ . 1 . 2]" 1
729 1 51 GLU H 1 52 ARG H 4.500 . 4.500 2.710 2.551 2.817 . 0 0 "[ . 1 . 2]" 1
730 1 147 MET HA 1 148 SER H 3.500 . 3.500 2.430 2.097 3.545 0.045 15 0 "[ . 1 . 2]" 1
731 1 50 GLN HA 1 51 GLU H 5.500 . 5.500 3.484 3.412 3.541 . 0 0 "[ . 1 . 2]" 1
732 1 49 VAL H 1 50 GLN H 4.500 . 4.500 2.379 2.195 2.694 . 0 0 "[ . 1 . 2]" 1
733 1 50 GLN H 1 50 GLN QB 3.500 . 3.500 2.323 2.108 2.520 . 0 0 "[ . 1 . 2]" 1
734 1 49 VAL QG 1 51 GLU H 5.500 . 5.500 4.208 4.074 4.422 . 0 0 "[ . 1 . 2]" 1
735 1 52 ARG HA 1 53 LEU H 4.500 . 4.500 3.388 3.187 3.459 . 0 0 "[ . 1 . 2]" 1
736 1 53 LEU H 1 53 LEU HG 4.500 . 4.500 4.236 4.129 4.340 . 0 0 "[ . 1 . 2]" 1
737 1 53 LEU H 1 53 LEU QD 4.500 . 4.500 2.602 2.422 2.814 . 0 0 "[ . 1 . 2]" 1
738 1 32 ALA H 1 34 VAL H 5.500 . 5.500 4.392 4.100 4.938 . 0 0 "[ . 1 . 2]" 1
739 1 33 SER H 1 34 VAL H 3.500 . 3.500 2.562 2.349 2.773 . 0 0 "[ . 1 . 2]" 1
740 1 102 PHE H 1 104 LEU QD 5.500 . 5.500 3.851 2.820 4.753 . 0 0 "[ . 1 . 2]" 1
741 1 102 PHE H 1 103 GLY H 3.500 . 3.500 2.364 2.158 2.594 . 0 0 "[ . 1 . 2]" 1
742 1 113 ASN HA 1 114 LYS H 4.500 . 4.500 3.522 3.442 3.548 . 0 0 "[ . 1 . 2]" 1
743 1 67 ALA HA 1 68 ASP H 4.500 . 4.500 3.470 3.385 3.507 . 0 0 "[ . 1 . 2]" 1
744 1 114 LYS H 1 115 GLY QA 4.500 . 4.500 4.312 4.090 4.409 . 0 0 "[ . 1 . 2]" 1
745 1 102 PHE H 1 103 GLY QA 4.500 . 4.500 4.243 4.020 4.421 . 0 0 "[ . 1 . 2]" 1
746 1 101 GLN QG 1 102 PHE H 4.500 . 4.500 2.752 2.067 3.540 . 0 0 "[ . 1 . 2]" 1
747 1 101 GLN QB 1 102 PHE H 5.500 . 5.500 3.441 2.357 3.756 . 0 0 "[ . 1 . 2]" 1
748 1 114 LYS H 1 114 LYS QG 4.500 . 4.500 3.425 2.190 3.993 . 0 0 "[ . 1 . 2]" 1
749 1 66 THR HA 1 68 ASP H 4.500 . 4.500 4.003 3.827 4.311 . 0 0 "[ . 1 . 2]" 1
750 1 68 ASP H 1 68 ASP QB 3.500 . 3.500 2.381 2.242 2.542 . 0 0 "[ . 1 . 2]" 1
751 1 122 LYS H 1 124 MET H 5.500 . 5.500 4.288 4.189 4.443 . 0 0 "[ . 1 . 2]" 1
752 1 70 ILE HA 1 71 GLN H 5.500 . 5.500 3.526 3.461 3.573 . 0 0 "[ . 1 . 2]" 1
753 1 70 ILE MG 1 71 GLN H 4.500 . 4.500 3.624 3.344 3.804 . 0 0 "[ . 1 . 2]" 1
754 1 100 CYS H 1 101 GLN H 4.500 . 4.500 2.514 2.352 2.726 . 0 0 "[ . 1 . 2]" 1
755 1 99 MET HA 1 100 CYS H 5.500 . 5.500 3.448 3.350 3.560 . 0 0 "[ . 1 . 2]" 1
756 1 99 MET QB 1 100 CYS H 5.500 . 5.500 2.882 2.279 3.135 . 0 0 "[ . 1 . 2]" 1
757 1 92 SER QB 1 94 GLN H 5.500 . 5.500 4.857 4.579 5.181 . 0 0 "[ . 1 . 2]" 1
758 1 93 GLY QA 1 94 GLN H 5.500 . 5.500 2.774 2.334 2.861 . 0 0 "[ . 1 . 2]" 1
759 1 92 SER H 1 94 GLN H 5.500 . 5.500 3.933 3.665 4.619 . 0 0 "[ . 1 . 2]" 1
760 1 43 ILE H 1 45 ALA H 5.500 . 5.500 3.699 3.456 3.862 . 0 0 "[ . 1 . 2]" 1
761 1 42 PRO QB 1 43 ILE H 4.500 . 4.500 3.040 2.645 3.570 . 0 0 "[ . 1 . 2]" 1
762 1 43 ILE H 1 44 LEU H 4.500 . 4.500 2.522 2.289 2.674 . 0 0 "[ . 1 . 2]" 1
763 1 105 PRO HA 1 107 GLU H 5.500 . 5.500 4.126 3.719 4.377 . 0 0 "[ . 1 . 2]" 1
764 1 107 GLU H 1 107 GLU QG 4.500 . 4.500 2.731 2.007 3.332 . 0 0 "[ . 1 . 2]" 1
765 1 107 GLU H 1 123 ALA MB 4.500 . 4.500 4.377 4.023 4.681 0.181 2 0 "[ . 1 . 2]" 1
766 1 11 GLN H 1 12 SER H 4.500 . 4.500 2.471 2.200 2.734 . 0 0 "[ . 1 . 2]" 1
767 1 58 PRO HA 1 59 SER H 3.500 . 3.500 2.512 2.119 3.568 0.068 8 0 "[ . 1 . 2]" 1
768 1 11 GLN QB 1 12 SER H 4.500 . 4.500 2.972 2.413 3.412 . 0 0 "[ . 1 . 2]" 1
769 1 44 LEU H 1 45 ALA H 4.500 . 4.500 2.538 2.480 2.651 . 0 0 "[ . 1 . 2]" 1
770 1 42 PRO HA 1 45 ALA H 4.500 . 4.500 3.766 3.583 4.053 . 0 0 "[ . 1 . 2]" 1
771 1 6 GLN QB 1 8 SER H 4.500 . 4.500 3.436 2.425 4.601 0.101 18 0 "[ . 1 . 2]" 1
772 1 51 GLU QG 1 52 ARG H 5.500 . 5.500 3.595 2.178 4.458 . 0 0 "[ . 1 . 2]" 1
773 1 52 ARG H 1 53 LEU H 3.500 . 3.500 2.309 2.092 2.467 . 0 0 "[ . 1 . 2]" 1
774 1 51 GLU HA 1 52 ARG H 4.500 . 4.500 3.501 3.434 3.574 . 0 0 "[ . 1 . 2]" 1
775 1 123 ALA MB 1 124 MET H 4.500 . 4.500 2.431 2.285 2.529 . 0 0 "[ . 1 . 2]" 1
776 1 95 LEU H 1 96 GLY H 4.500 . 4.500 2.475 2.128 2.701 . 0 0 "[ . 1 . 2]" 1
777 1 95 LEU H 1 113 ASN HA 4.500 . 4.500 4.225 3.636 4.593 0.093 7 0 "[ . 1 . 2]" 1
778 1 90 LEU HA 1 95 LEU H 5.500 . 5.500 2.980 2.527 3.403 . 0 0 "[ . 1 . 2]" 1
779 1 94 GLN H 1 95 LEU H 4.500 . 4.500 3.521 3.210 4.386 . 0 0 "[ . 1 . 2]" 1
780 1 136 ASP HA 1 137 THR H 4.500 . 4.500 2.322 2.102 3.593 . 0 0 "[ . 1 . 2]" 1
781 1 87 SER H 1 88 ALA H 4.500 . 4.500 2.698 2.632 2.765 . 0 0 "[ . 1 . 2]" 1
782 1 96 GLY QA 1 98 LEU H 4.500 . 4.500 3.352 3.052 3.686 . 0 0 "[ . 1 . 2]" 1
783 1 54 LEU HA 1 56 TYR H 4.500 . 4.500 3.780 3.594 3.969 . 0 0 "[ . 1 . 2]" 1
784 1 37 PRO QD 1 38 GLU H 5.500 . 5.500 3.059 2.677 3.546 . 0 0 "[ . 1 . 2]" 1
785 1 38 GLU H 1 38 GLU QG 3.500 . 3.500 2.605 1.929 3.330 . 0 0 "[ . 1 . 2]" 1
786 1 37 PRO QB 1 38 GLU H 4.500 . 4.500 2.656 2.162 3.256 . 0 0 "[ . 1 . 2]" 1
787 1 31 LEU QD 1 87 SER H 4.500 . 4.500 4.003 3.505 4.532 0.032 11 0 "[ . 1 . 2]" 1
788 1 56 TYR H 1 56 TYR QD 4.500 . 4.500 2.988 2.333 3.457 . 0 0 "[ . 1 . 2]" 1
789 1 56 TYR H 1 56 TYR QE 5.500 . 5.500 4.993 4.611 5.338 . 0 0 "[ . 1 . 2]" 1
790 1 98 LEU H 1 101 GLN QB 6.000 . 6.000 5.781 4.429 6.168 0.168 5 0 "[ . 1 . 2]" 1
791 1 56 TYR H 1 57 LEU HG 5.500 . 5.500 3.609 3.263 4.463 . 0 0 "[ . 1 . 2]" 1
792 1 53 LEU QD 1 56 TYR H 5.500 . 5.500 4.042 3.837 4.264 . 0 0 "[ . 1 . 2]" 1
793 1 60 GLY H 1 62 SER H 5.500 . 5.500 4.981 3.874 5.670 0.170 13 0 "[ . 1 . 2]" 1
794 1 99 MET H 1 100 CYS H 4.500 . 4.500 2.446 2.172 2.649 . 0 0 "[ . 1 . 2]" 1
795 1 98 LEU H 1 99 MET H 3.500 . 3.500 2.565 2.323 2.729 . 0 0 "[ . 1 . 2]" 1
796 1 57 LEU QD 1 62 SER H 4.500 . 4.500 4.205 3.587 4.785 0.285 1 0 "[ . 1 . 2]" 1
797 1 44 LEU H 1 46 ASN H 5.500 . 5.500 4.164 4.057 4.377 . 0 0 "[ . 1 . 2]" 1
798 1 41 ALA HA 1 44 LEU H 4.500 . 4.500 3.676 3.528 3.846 . 0 0 "[ . 1 . 2]" 1
799 1 69 GLU HA 1 72 ASN H 4.500 . 4.500 3.443 3.040 4.155 . 0 0 "[ . 1 . 2]" 1
800 1 68 ASP HA 1 72 ASN H 5.500 . 5.500 4.286 3.395 4.720 . 0 0 "[ . 1 . 2]" 1
801 1 71 GLN QG 1 72 ASN H 5.500 . 5.500 4.292 4.040 4.589 . 0 0 "[ . 1 . 2]" 1
802 1 71 GLN QB 1 72 ASN H 4.500 . 4.500 2.965 2.370 3.216 . 0 0 "[ . 1 . 2]" 1
803 1 73 THR H 1 73 THR MG 4.500 . 4.500 2.445 2.051 2.928 . 0 0 "[ . 1 . 2]" 1
804 1 40 MET H 1 41 ALA H 4.500 . 4.500 2.590 2.471 2.730 . 0 0 "[ . 1 . 2]" 1
805 1 39 ILE HB 1 40 MET H 4.500 . 4.500 2.518 2.408 2.640 . 0 0 "[ . 1 . 2]" 1
806 1 39 ILE MD 1 40 MET H 4.500 . 4.500 4.519 4.399 4.564 0.064 20 0 "[ . 1 . 2]" 1
807 1 15 ALA MB 1 16 THR H 4.500 . 4.500 2.809 1.880 3.705 . 0 0 "[ . 1 . 2]" 1
808 1 33 SER H 1 35 LEU H 4.500 . 4.500 3.906 3.662 4.125 . 0 0 "[ . 1 . 2]" 1
809 1 33 SER H 1 35 LEU QB 5.500 . 5.500 4.810 4.407 5.252 . 0 0 "[ . 1 . 2]" 1
810 1 33 SER H 1 34 VAL QG 4.500 . 4.500 3.723 3.411 3.979 . 0 0 "[ . 1 . 2]" 1
811 1 91 ALA MB 1 92 SER H 3.500 . 3.500 2.374 2.020 2.955 . 0 0 "[ . 1 . 2]" 1
812 1 91 ALA H 1 92 SER H 4.500 . 4.500 2.638 2.455 2.822 . 0 0 "[ . 1 . 2]" 1
813 1 92 SER H 1 93 GLY H 4.500 . 4.500 2.387 2.253 2.519 . 0 0 "[ . 1 . 2]" 1
814 1 134 GLU HA 1 135 GLY H 3.500 . 3.500 2.330 2.083 3.525 0.025 3 0 "[ . 1 . 2]" 1
815 1 134 GLU QB 1 135 GLY H 6.000 . 6.000 3.127 2.118 3.904 . 0 0 "[ . 1 . 2]" 1
816 1 103 GLY H 1 104 LEU QD 6.000 . 6.000 3.343 2.125 4.495 . 0 0 "[ . 1 . 2]" 1
817 1 36 THR H 1 40 MET QB 5.500 . 5.500 4.834 4.333 5.613 0.113 1 0 "[ . 1 . 2]" 1
818 1 113 ASN HA 1 115 GLY H 5.500 . 5.500 4.289 3.982 4.645 . 0 0 "[ . 1 . 2]" 1
819 1 114 LYS QE 1 115 GLY H 6.000 . 6.000 5.181 4.366 6.164 0.164 20 0 "[ . 1 . 2]" 1
820 1 111 ALA MB 1 115 GLY H 5.500 . 5.500 4.639 4.453 4.864 . 0 0 "[ . 1 . 2]" 1
821 1 36 THR H 1 39 ILE QG 5.500 . 5.500 3.024 2.305 3.829 . 0 0 "[ . 1 . 2]" 1
822 1 91 ALA MB 1 93 GLY H 5.500 . 5.500 4.299 3.995 4.752 . 0 0 "[ . 1 . 2]" 1
823 1 36 THR H 1 39 ILE MG 4.500 . 4.500 4.098 3.520 4.580 0.080 4 0 "[ . 1 . 2]" 1
824 1 114 LYS QG 1 115 GLY H 6.000 . 6.000 4.315 3.789 4.904 . 0 0 "[ . 1 . 2]" 1
825 1 91 ALA MB 1 115 GLY H 5.500 . 5.500 5.549 5.336 5.770 0.270 4 0 "[ . 1 . 2]" 1
826 1 24 ALA HA 1 25 GLY H 4.500 . 4.500 2.477 2.124 3.557 . 0 0 "[ . 1 . 2]" 1
827 1 21 ALA HA 1 22 GLY H 3.500 . 3.500 2.465 2.154 3.564 0.064 15 0 "[ . 1 . 2]" 1
828 1 24 ALA MB 1 25 GLY H 5.500 . 5.500 2.799 1.874 3.620 . 0 0 "[ . 1 . 2]" 1
829 1 21 ALA MB 1 22 GLY H 4.500 . 4.500 2.542 1.898 3.266 . 0 0 "[ . 1 . 2]" 1
830 1 96 GLY H 1 113 ASN HA 5.500 . 5.500 2.424 1.923 2.936 . 0 0 "[ . 1 . 2]" 1
831 1 95 LEU QB 1 96 GLY H 5.500 . 5.500 2.790 2.376 3.696 . 0 0 "[ . 1 . 2]" 1
832 1 120 PHE H 1 121 ALA H 3.500 . 3.500 2.629 2.534 2.740 . 0 0 "[ . 1 . 2]" 1
833 1 79 PHE QB 1 83 LEU QD 6.000 . 6.000 5.759 5.481 6.143 0.143 18 0 "[ . 1 . 2]" 1
834 1 70 ILE MG 1 79 PHE QB 6.000 . 6.000 4.094 3.350 4.800 . 0 0 "[ . 1 . 2]" 1
835 1 56 TYR QE 1 88 ALA MB 6.000 . 6.000 3.151 2.105 4.707 . 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 344
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 193.814
_Distance_constraint_stats_list.Viol_max 0.382
_Distance_constraint_stats_list.Viol_rms 0.0134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0664
_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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.070 0.070 7 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.495 0.123 12 0 "[ . 1 . 2]"
1 11 GLN 0.101 0.049 19 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.413 0.123 12 0 "[ . 1 . 2]"
1 14 LEU 0.311 0.123 12 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PRO 0.084 0.084 15 0 "[ . 1 . 2]"
1 21 ALA 0.084 0.084 15 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.286 0.153 17 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 0.286 0.153 17 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.905 0.114 4 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 0.944 0.114 4 0 "[ . 1 . 2]"
1 35 LEU 0.522 0.070 15 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 MET 0.720 0.173 11 0 "[ . 1 . 2]"
1 41 ALA 0.048 0.037 11 0 "[ . 1 . 2]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.720 0.173 11 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.031 0.026 12 0 "[ . 1 . 2]"
1 46 ASN 0.868 0.246 3 0 "[ . 1 . 2]"
1 48 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.837 0.246 3 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 2.288 0.232 5 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 1.266 0.232 5 0 "[ . 1 . 2]"
1 58 PRO 0.084 0.084 15 0 "[ . 1 . 2]"
1 59 SER 0.084 0.084 15 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PRO 1.510 0.311 14 0 "[ . 1 . 2]"
1 65 GLN 0.670 0.272 10 0 "[ . 1 . 2]"
1 66 THR 0.657 0.272 10 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 1.189 0.311 14 0 "[ . 1 . 2]"
1 70 ILE 0.767 0.173 11 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.336 0.160 19 0 "[ . 1 . 2]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PHE 0.336 0.160 19 0 "[ . 1 . 2]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 0.183 0.063 18 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 1.576 0.232 5 0 "[ . 1 . 2]"
1 86 PHE 0.837 0.246 3 0 "[ . 1 . 2]"
1 87 SER 0.016 0.016 7 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.016 0.016 7 0 "[ . 1 . 2]"
1 91 ALA 0.097 0.069 4 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.712 0.085 9 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.712 0.085 9 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 PRO 0.005 0.005 6 0 "[ . 1 . 2]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 MET 0.205 0.092 8 0 "[ . 1 . 2]"
1 100 CYS 0.005 0.005 6 0 "[ . 1 . 2]"
1 101 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PHE 0.031 0.026 12 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LEU 0.522 0.070 15 0 "[ . 1 . 2]"
1 105 PRO 0.853 0.311 14 0 "[ . 1 . 2]"
1 106 ALA 0.375 0.114 4 0 "[ . 1 . 2]"
1 107 GLU 0.855 0.311 14 0 "[ . 1 . 2]"
1 108 ALA 0.002 0.002 2 0 "[ . 1 . 2]"
1 109 VAL 0.380 0.114 4 0 "[ . 1 . 2]"
1 110 GLU 0.037 0.037 8 0 "[ . 1 . 2]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ALA 0.318 0.092 8 0 "[ . 1 . 2]"
1 113 ASN 0.242 0.092 8 0 "[ . 1 . 2]"
1 114 LYS 0.037 0.037 8 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 ASP 0.205 0.092 8 0 "[ . 1 . 2]"
1 117 VAL 0.097 0.069 4 0 "[ . 1 . 2]"
1 118 GLU 0.286 0.153 17 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ALA 0.771 0.114 4 0 "[ . 1 . 2]"
1 122 LYS 0.300 0.099 19 0 "[ . 1 . 2]"
1 123 ALA 0.002 0.002 2 0 "[ . 1 . 2]"
1 124 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 ASP 1.302 0.382 17 0 "[ . 1 . 2]"
1 140 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 LYS 1.302 0.382 17 0 "[ . 1 . 2]"
1 142 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 GLU 1.302 0.382 17 0 "[ . 1 . 2]"
1 145 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 ASP 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 36 THR HB 1 37 PRO QG 6.000 . 6.000 3.582 2.973 4.147 . 0 0 "[ . 1 . 2]" 2
2 1 109 VAL HA 1 112 ALA H 4.500 . 4.500 3.255 3.020 3.491 . 0 0 "[ . 1 . 2]" 2
3 1 95 LEU QB 1 109 VAL HA 4.500 . 4.500 2.755 2.250 3.141 . 0 0 "[ . 1 . 2]" 2
4 1 31 LEU HG 1 117 VAL HA 6.000 . 6.000 3.734 3.021 4.207 . 0 0 "[ . 1 . 2]" 2
5 1 91 ALA MB 1 117 VAL HA 4.500 . 4.500 4.167 3.757 4.569 0.069 4 0 "[ . 1 . 2]" 2
6 1 37 PRO HA 1 38 GLU QG 4.500 . 4.500 2.799 2.240 3.454 . 0 0 "[ . 1 . 2]" 2
7 1 42 PRO HA 1 45 ALA H 4.500 . 4.500 3.754 3.573 4.045 . 0 0 "[ . 1 . 2]" 2
8 1 55 PRO HA 1 56 TYR H 5.500 . 5.500 3.291 3.218 3.416 . 0 0 "[ . 1 . 2]" 2
9 1 70 ILE HA 1 71 GLN H 4.500 . 4.500 3.162 2.990 3.350 . 0 0 "[ . 1 . 2]" 2
10 1 43 ILE HA 1 45 ALA H 4.500 . 4.500 3.536 2.902 3.934 . 0 0 "[ . 1 . 2]" 2
11 1 31 LEU HG 1 120 PHE HA 3.500 . 3.500 2.527 1.975 3.011 . 0 0 "[ . 1 . 2]" 2
12 1 39 ILE HA 1 39 ILE QG 3.500 . 3.500 2.428 2.184 2.752 . 0 0 "[ . 1 . 2]" 2
13 1 64 PRO HA 1 69 GLU QB 3.500 . 3.500 3.335 2.315 3.811 0.311 14 0 "[ . 1 . 2]" 2
14 1 137 THR HA 1 138 LYS H 4.500 . 4.500 2.423 2.091 3.603 . 0 0 "[ . 1 . 2]" 2
15 1 86 PHE HA 1 87 SER H 6.000 . 6.000 3.325 3.268 3.385 . 0 0 "[ . 1 . 2]" 2
16 1 79 PHE HA 1 81 GLN H 6.000 . 6.000 3.388 3.168 3.546 . 0 0 "[ . 1 . 2]" 2
17 1 49 VAL QG 1 50 GLN HA 4.500 . 4.500 2.662 2.044 3.027 . 0 0 "[ . 1 . 2]" 2
18 1 28 GLN H 1 118 GLU HA 6.000 . 6.000 3.351 2.975 3.693 . 0 0 "[ . 1 . 2]" 2
19 1 38 GLU HA 1 38 GLU QG 3.500 . 3.500 3.114 2.645 3.458 . 0 0 "[ . 1 . 2]" 2
20 1 35 LEU H 1 36 THR HA 6.000 . 6.000 4.196 3.865 4.487 . 0 0 "[ . 1 . 2]" 2
21 1 80 GLN HA 1 81 GLN H 6.000 . 6.000 3.374 3.331 3.412 . 0 0 "[ . 1 . 2]" 2
22 1 109 VAL QG 1 110 GLU HA 4.500 . 4.500 3.109 3.010 3.138 . 0 0 "[ . 1 . 2]" 2
23 1 122 LYS HA 1 123 ALA H 4.500 . 4.500 3.045 2.868 3.163 . 0 0 "[ . 1 . 2]" 2
24 1 34 VAL QG 1 85 MET HA 3.500 . 3.500 2.645 2.237 2.931 . 0 0 "[ . 1 . 2]" 2
25 1 69 GLU HA 1 72 ASN H 4.500 . 4.500 3.124 2.834 3.543 . 0 0 "[ . 1 . 2]" 2
26 1 69 GLU HA 1 71 GLN H 4.500 . 4.500 3.851 3.580 4.121 . 0 0 "[ . 1 . 2]" 2
27 1 125 GLN HA 1 126 ASN H 4.500 . 4.500 3.324 3.003 3.512 . 0 0 "[ . 1 . 2]" 2
28 1 41 ALA HA 1 44 LEU QB 4.500 . 4.500 2.955 2.815 3.211 . 0 0 "[ . 1 . 2]" 2
29 1 31 LEU HA 1 31 LEU QD 3.500 . 3.500 1.966 1.763 2.537 0.037 11 0 "[ . 1 . 2]" 2
30 1 31 LEU H 1 83 LEU HA 6.000 . 6.000 4.055 3.860 4.217 . 0 0 "[ . 1 . 2]" 2
31 1 10 LEU H 1 11 GLN HA 4.500 . 4.500 3.083 2.816 3.279 . 0 0 "[ . 1 . 2]" 2
32 1 44 LEU QD 1 83 LEU HA 3.500 . 3.500 2.007 1.961 2.087 . 0 0 "[ . 1 . 2]" 2
33 1 131 GLU HA 1 132 GLN H 3.500 . 3.500 2.297 2.084 3.130 . 0 0 "[ . 1 . 2]" 2
34 1 65 GLN HA 1 65 GLN QG 3.500 . 3.500 2.855 2.375 3.513 0.013 4 0 "[ . 1 . 2]" 2
35 1 53 LEU HA 1 53 LEU HG 3.500 . 3.500 3.458 3.309 3.582 0.082 12 0 "[ . 1 . 2]" 2
36 1 10 LEU HA 1 10 LEU QD 3.500 . 3.500 2.002 1.768 2.946 0.032 5 0 "[ . 1 . 2]" 2
37 1 96 GLY H 1 113 ASN HA 6.000 . 6.000 2.372 1.915 2.796 . 0 0 "[ . 1 . 2]" 2
38 1 43 ILE MD 1 44 LEU HA 4.500 . 4.500 3.930 3.666 4.077 . 0 0 "[ . 1 . 2]" 2
39 1 27 GLN HA 1 28 GLN H 2.800 . 2.800 2.032 1.867 2.329 . 0 0 "[ . 1 . 2]" 2
40 1 121 ALA HA 1 123 ALA H 6.000 . 6.000 3.825 3.701 4.004 . 0 0 "[ . 1 . 2]" 2
41 1 28 GLN HA 1 118 GLU QG 3.500 . 3.500 2.658 1.851 3.274 . 0 0 "[ . 1 . 2]" 2
42 1 111 ALA HA 1 112 ALA H 5.500 . 5.500 3.351 3.315 3.398 . 0 0 "[ . 1 . 2]" 2
43 1 111 ALA HA 1 114 LYS QE 6.000 . 6.000 2.818 2.172 3.458 . 0 0 "[ . 1 . 2]" 2
44 1 110 GLU QG 1 111 ALA HA 4.500 . 4.500 2.947 2.195 3.608 . 0 0 "[ . 1 . 2]" 2
45 1 53 LEU HG 1 82 ALA HA 4.500 . 4.500 2.863 2.272 3.102 . 0 0 "[ . 1 . 2]" 2
46 1 31 LEU QD 1 121 ALA HA 3.500 . 3.500 2.286 2.044 2.507 . 0 0 "[ . 1 . 2]" 2
47 1 82 ALA HA 1 83 LEU H 6.000 . 6.000 3.281 3.236 3.329 . 0 0 "[ . 1 . 2]" 2
48 1 9 ASP HA 1 10 LEU H 4.500 . 4.500 3.265 3.154 3.378 . 0 0 "[ . 1 . 2]" 2
49 1 87 SER H 1 88 ALA HA 6.000 . 6.000 3.360 3.265 3.399 . 0 0 "[ . 1 . 2]" 2
50 1 124 MET HA 1 125 GLN H 4.500 . 4.500 3.240 3.059 3.391 . 0 0 "[ . 1 . 2]" 2
51 1 105 PRO QD 1 108 ALA HA 6.000 . 6.000 4.169 3.621 5.172 . 0 0 "[ . 1 . 2]" 2
52 1 67 ALA HA 1 69 GLU QB 4.500 . 4.500 2.942 2.708 3.498 . 0 0 "[ . 1 . 2]" 2
53 1 46 ASN HA 1 48 ASP H 6.000 . 6.000 3.626 3.485 3.985 . 0 0 "[ . 1 . 2]" 2
54 1 45 ALA H 1 46 ASN HA 4.500 . 4.500 4.268 3.588 4.526 0.026 12 0 "[ . 1 . 2]" 2
55 1 31 LEU QD 1 32 ALA HA 6.000 . 6.000 3.898 3.707 4.047 . 0 0 "[ . 1 . 2]" 2
56 1 90 LEU HG 1 91 ALA HA 4.500 . 4.500 3.551 3.012 4.219 . 0 0 "[ . 1 . 2]" 2
57 1 40 MET HA 1 43 ILE MD 3.500 . 3.500 3.419 2.476 3.673 0.173 11 0 "[ . 1 . 2]" 2
58 1 53 LEU HG 1 57 LEU HA 4.500 . 4.500 4.513 4.193 4.732 0.232 5 0 "[ . 1 . 2]" 2
59 1 53 LEU QB 1 57 LEU HA 4.500 . 4.500 3.015 2.719 3.114 . 0 0 "[ . 1 . 2]" 2
60 1 34 VAL QG 1 35 LEU HA 3.500 . 3.500 1.803 1.730 1.930 0.070 15 0 "[ . 1 . 2]" 2
61 1 21 ALA HA 1 22 GLY H 3.500 . 3.500 2.286 1.910 3.173 . 0 0 "[ . 1 . 2]" 2
62 1 57 LEU QB 1 58 PRO QD 6.000 . 6.000 2.709 2.057 3.316 . 0 0 "[ . 1 . 2]" 2
63 1 31 LEU QB 1 32 ALA H . . 4.500 2.856 2.696 3.085 . 0 0 "[ . 1 . 2]" 2
64 1 10 LEU H 1 10 LEU QB 3.500 . 3.500 2.067 1.951 2.275 . 0 0 "[ . 1 . 2]" 2
65 1 116 ASP QB 1 117 VAL H 6.000 . 6.000 3.493 3.171 3.801 . 0 0 "[ . 1 . 2]" 2
66 1 7 LEU HA 1 9 ASP QB 6.000 . 6.000 4.379 3.553 5.196 . 0 0 "[ . 1 . 2]" 2
67 1 46 ASN QB 1 102 PHE QB 4.500 . 4.500 3.560 3.224 3.821 . 0 0 "[ . 1 . 2]" 2
68 1 105 PRO QB 1 127 ASN QB 6.000 . 6.000 3.767 3.269 4.560 . 0 0 "[ . 1 . 2]" 2
69 1 31 LEU HG 1 120 PHE QB 6.000 . 6.000 2.129 1.875 2.314 . 0 0 "[ . 1 . 2]" 2
70 1 112 ALA MB 1 120 PHE QB 6.000 . 6.000 3.572 3.440 3.667 . 0 0 "[ . 1 . 2]" 2
71 1 108 ALA MB 1 120 PHE QB 6.000 . 6.000 4.120 3.863 4.684 . 0 0 "[ . 1 . 2]" 2
72 1 117 VAL QG 1 120 PHE QB 6.000 . 6.000 3.712 3.292 4.205 . 0 0 "[ . 1 . 2]" 2
73 1 53 LEU QD 1 86 PHE QB 5.500 . 5.500 2.520 2.130 2.795 . 0 0 "[ . 1 . 2]" 2
74 1 44 LEU QD 1 86 PHE QB 4.500 . 4.500 2.377 2.105 2.649 . 0 0 "[ . 1 . 2]" 2
75 1 56 TYR QB 1 57 LEU H 6.000 . 6.000 3.690 3.341 3.856 . 0 0 "[ . 1 . 2]" 2
76 1 10 LEU HA 1 13 ILE HB 4.500 . 4.500 3.890 3.006 4.549 0.049 19 0 "[ . 1 . 2]" 2
77 1 10 LEU QB 1 13 ILE HB 4.500 . 4.500 3.889 2.795 4.623 0.123 12 0 "[ . 1 . 2]" 2
78 1 44 LEU QB 1 70 ILE HB 6.000 . 6.000 3.814 3.637 4.100 . 0 0 "[ . 1 . 2]" 2
79 1 107 GLU HA 1 107 GLU QG 3.500 . 3.500 2.552 2.376 3.112 . 0 0 "[ . 1 . 2]" 2
80 1 27 GLN H 1 118 GLU QG . . 3.500 2.330 1.923 2.982 . 0 0 "[ . 1 . 2]" 2
81 1 26 GLY QA 1 118 GLU QG 3.500 . 3.500 2.795 2.270 3.498 . 0 0 "[ . 1 . 2]" 2
82 1 29 VAL HA 1 118 GLU QG 3.500 . 3.500 2.808 2.281 3.493 . 0 0 "[ . 1 . 2]" 2
83 1 51 GLU QG 1 52 ARG HA 3.500 . 3.500 2.493 2.110 3.003 . 0 0 "[ . 1 . 2]" 2
84 1 110 GLU QG 1 113 ASN QB 4.500 . 4.500 3.858 2.457 4.537 0.037 8 0 "[ . 1 . 2]" 2
85 1 109 VAL H 1 110 GLU QG 6.000 . 6.000 3.785 3.342 4.437 . 0 0 "[ . 1 . 2]" 2
86 1 109 VAL QG 1 110 GLU QG 6.000 . 6.000 2.936 2.298 4.730 . 0 0 "[ . 1 . 2]" 2
87 1 26 GLY H 1 27 GLN QG 4.500 . 4.500 3.795 3.175 4.254 . 0 0 "[ . 1 . 2]" 2
88 1 80 GLN QG 1 81 GLN HA 3.500 . 3.500 2.497 2.314 2.706 . 0 0 "[ . 1 . 2]" 2
89 1 6 GLN QG 1 8 SER H 4.500 . 4.500 3.028 1.841 3.915 . 0 0 "[ . 1 . 2]" 2
90 1 27 GLN HA 1 27 GLN QG 3.500 . 3.500 2.269 2.072 2.483 . 0 0 "[ . 1 . 2]" 2
91 1 26 GLY QA 1 27 GLN QG 4.500 . 4.500 2.913 2.423 3.464 . 0 0 "[ . 1 . 2]" 2
92 1 56 TYR QB 1 85 MET QB 6.000 . 6.000 2.114 1.826 2.526 . 0 0 "[ . 1 . 2]" 2
93 1 83 LEU H 1 85 MET QB 5.500 . 5.500 4.683 4.274 4.906 . 0 0 "[ . 1 . 2]" 2
94 1 29 VAL H 1 29 VAL HB 3.500 . 3.500 3.234 2.485 3.431 . 0 0 "[ . 1 . 2]" 2
95 1 95 LEU QB 1 99 MET QG . . 4.500 2.097 1.846 2.362 . 0 0 "[ . 1 . 2]" 2
96 1 95 LEU HG 1 99 MET QG 6.000 . 6.000 3.420 2.673 3.874 . 0 0 "[ . 1 . 2]" 2
97 1 105 PRO QB 1 108 ALA MB 4.500 . 4.500 3.159 2.277 4.044 . 0 0 "[ . 1 . 2]" 2
98 1 20 PRO QB 1 21 ALA H 4.500 . 4.500 2.484 1.716 2.989 0.084 15 0 "[ . 1 . 2]" 2
99 1 97 PRO QB 1 98 LEU H 6.000 . 6.000 3.613 3.285 3.750 . 0 0 "[ . 1 . 2]" 2
100 1 119 ALA HA 1 122 LYS QB 3.500 . 3.500 2.555 2.160 2.786 . 0 0 "[ . 1 . 2]" 2
101 1 105 PRO QB 1 108 ALA MB 3.500 . 3.500 2.997 2.262 3.492 . 0 0 "[ . 1 . 2]" 2
102 1 95 LEU QB 1 99 MET QB 6.000 . 6.000 2.265 1.814 2.831 . 0 0 "[ . 1 . 2]" 2
103 1 99 MET QB 1 104 LEU QD 6.000 . 6.000 2.264 1.930 2.610 . 0 0 "[ . 1 . 2]" 2
104 1 99 MET QB 1 109 VAL H 3.500 . 3.500 2.586 2.487 2.754 . 0 0 "[ . 1 . 2]" 2
105 1 99 MET QB 1 106 ALA MB 6.000 . 6.000 3.393 2.869 3.700 . 0 0 "[ . 1 . 2]" 2
106 1 83 LEU H 1 85 MET QG 4.500 . 4.500 4.043 3.861 4.179 . 0 0 "[ . 1 . 2]" 2
107 1 81 GLN HA 1 85 MET QG 6.000 . 6.000 3.264 2.715 3.569 . 0 0 "[ . 1 . 2]" 2
108 1 56 TYR QB 1 85 MET QG 6.000 . 6.000 2.645 2.250 3.226 . 0 0 "[ . 1 . 2]" 2
109 1 46 ASN QB 1 49 VAL HB 4.500 . 4.500 4.420 4.003 4.746 0.246 3 0 "[ . 1 . 2]" 2
110 1 65 GLN H 1 65 GLN QB . . 3.500 2.514 2.316 2.794 . 0 0 "[ . 1 . 2]" 2
111 1 65 GLN QB 1 66 THR MG 4.500 . 4.500 3.046 2.465 3.607 . 0 0 "[ . 1 . 2]" 2
112 1 34 VAL QG 1 124 MET QB 4.500 . 4.500 2.099 1.839 2.676 . 0 0 "[ . 1 . 2]" 2
113 1 27 GLN H 1 27 GLN QB 3.500 . 3.500 2.134 1.970 2.261 . 0 0 "[ . 1 . 2]" 2
114 1 107 GLU QB 1 109 VAL H 3.500 . 3.500 2.544 2.274 2.802 . 0 0 "[ . 1 . 2]" 2
115 1 27 GLN H 1 118 GLU QB 3.500 . 3.500 2.476 2.304 2.659 . 0 0 "[ . 1 . 2]" 2
116 1 81 GLN H 1 81 GLN QB 3.500 . 3.500 2.156 2.062 2.284 . 0 0 "[ . 1 . 2]" 2
117 1 52 ARG QG 1 53 LEU H 5.500 . 5.500 4.171 3.894 4.432 . 0 0 "[ . 1 . 2]" 2
118 1 98 LEU H 1 100 CYS QB 5.500 . 5.500 4.550 4.263 5.086 . 0 0 "[ . 1 . 2]" 2
119 1 100 CYS QB 1 109 VAL QG 4.500 . 4.500 2.862 1.890 3.732 . 0 0 "[ . 1 . 2]" 2
120 1 53 LEU H 1 53 LEU HG 4.500 . 4.500 4.201 4.104 4.308 . 0 0 "[ . 1 . 2]" 2
121 1 36 THR HA 1 37 PRO QG 6.000 . 6.000 3.360 2.914 3.606 . 0 0 "[ . 1 . 2]" 2
122 1 10 LEU HA 1 10 LEU HG 4.500 . 4.500 3.271 2.462 3.717 . 0 0 "[ . 1 . 2]" 2
123 1 87 SER HA 1 90 LEU HG 4.500 . 4.500 2.567 2.095 3.484 . 0 0 "[ . 1 . 2]" 2
124 1 31 LEU QB 1 35 LEU HG 6.000 . 6.000 2.920 2.505 4.152 . 0 0 "[ . 1 . 2]" 2
125 1 44 LEU QD 1 83 LEU H 6.000 . 6.000 3.970 3.798 4.297 . 0 0 "[ . 1 . 2]" 2
126 1 40 MET QB 1 44 LEU QD 6.000 . 6.000 3.840 2.183 4.200 . 0 0 "[ . 1 . 2]" 2
127 1 44 LEU QD 1 49 VAL QG 3.500 . 3.500 2.452 2.136 3.117 . 0 0 "[ . 1 . 2]" 2
128 1 119 ALA HA 1 122 LYS QG 6.000 . 6.000 3.344 2.258 4.154 . 0 0 "[ . 1 . 2]" 2
129 1 83 LEU H 1 83 LEU QD . . 4.500 3.453 3.378 3.503 . 0 0 "[ . 1 . 2]" 2
130 1 90 LEU QD 1 113 ASN H 4.500 . 4.500 3.457 3.114 3.737 . 0 0 "[ . 1 . 2]" 2
131 1 88 ALA H 1 90 LEU QD 6.000 . 6.000 3.159 2.760 3.765 . 0 0 "[ . 1 . 2]" 2
132 1 87 SER HA 1 90 LEU QD 4.500 . 4.500 2.024 1.784 2.230 0.016 7 0 "[ . 1 . 2]" 2
133 1 90 LEU QD 1 117 VAL HA 3.500 . 3.500 2.494 2.100 3.189 . 0 0 "[ . 1 . 2]" 2
134 1 31 LEU QB 1 83 LEU QD 4.500 . 4.500 1.849 1.737 2.236 0.063 18 0 "[ . 1 . 2]" 2
135 1 90 LEU QD 1 112 ALA H 5.500 . 5.500 3.305 2.997 3.625 . 0 0 "[ . 1 . 2]" 2
136 1 90 LEU QD 1 91 ALA MB 5.500 . 5.500 2.378 2.114 2.563 . 0 0 "[ . 1 . 2]" 2
137 1 35 LEU QB 1 83 LEU QD 4.500 . 4.500 2.622 2.165 3.086 . 0 0 "[ . 1 . 2]" 2
138 1 31 LEU QD 1 83 LEU QD 3.500 . 3.500 2.498 2.205 2.904 . 0 0 "[ . 1 . 2]" 2
139 1 53 LEU QD 1 87 SER H 6.000 . 6.000 3.430 3.175 3.557 . 0 0 "[ . 1 . 2]" 2
140 1 53 LEU H 1 53 LEU QD 4.500 . 4.500 2.561 2.401 2.759 . 0 0 "[ . 1 . 2]" 2
141 1 53 LEU QD 1 54 LEU H 6.000 . 6.000 3.856 3.782 3.936 . 0 0 "[ . 1 . 2]" 2
142 1 53 LEU HA 1 53 LEU QD 3.500 . 3.500 1.768 1.715 1.868 0.085 9 0 "[ . 1 . 2]" 2
143 1 53 LEU QD 1 56 TYR QB 6.000 . 6.000 2.160 1.922 2.419 . 0 0 "[ . 1 . 2]" 2
144 1 53 LEU QD 1 89 ALA MB 3.500 . 3.500 2.149 1.903 2.568 . 0 0 "[ . 1 . 2]" 2
145 1 31 LEU H 1 117 VAL QG 6.000 . 6.000 3.953 3.416 4.405 . 0 0 "[ . 1 . 2]" 2
146 1 116 ASP QB 1 117 VAL QG 6.000 . 6.000 3.522 3.192 3.835 . 0 0 "[ . 1 . 2]" 2
147 1 44 LEU QD 1 50 GLN QG 6.000 . 6.000 3.627 2.541 5.553 . 0 0 "[ . 1 . 2]" 2
148 1 44 LEU QD 1 53 LEU HG 6.000 . 6.000 2.548 1.901 4.036 . 0 0 "[ . 1 . 2]" 2
149 1 44 LEU QD 1 49 VAL QG 3.500 . 3.500 2.282 1.954 2.983 . 0 0 "[ . 1 . 2]" 2
150 1 44 LEU QD 1 50 GLN QG 6.000 . 6.000 2.443 2.094 2.884 . 0 0 "[ . 1 . 2]" 2
151 1 97 PRO HA 1 109 VAL QG 4.500 . 4.500 2.079 1.795 3.122 0.005 6 0 "[ . 1 . 2]" 2
152 1 137 THR HA 1 137 THR MG 3.500 . 3.500 2.686 2.256 3.141 . 0 0 "[ . 1 . 2]" 2
153 1 64 PRO QG 1 66 THR MG 3.500 . 3.500 3.095 2.474 3.772 0.272 10 0 "[ . 1 . 2]" 2
154 1 16 THR MG 1 17 MET QB 4.500 . 4.500 2.970 2.449 3.547 . 0 0 "[ . 1 . 2]" 2
155 1 31 LEU QB 1 117 VAL QG 6.000 . 6.000 3.487 2.388 4.253 . 0 0 "[ . 1 . 2]" 2
156 1 108 ALA MB 1 120 PHE QD 4.500 . 4.500 3.081 2.525 4.400 . 0 0 "[ . 1 . 2]" 2
157 1 108 ALA MB 1 120 PHE HA 3.500 . 3.500 2.740 2.446 3.115 . 0 0 "[ . 1 . 2]" 2
158 1 105 PRO QD 1 108 ALA MB 4.500 . 4.500 2.874 2.309 3.405 . 0 0 "[ . 1 . 2]" 2
159 1 107 GLU QB 1 108 ALA MB 3.500 . 3.500 1.961 1.798 2.241 0.002 2 0 "[ . 1 . 2]" 2
160 1 112 ALA H 1 112 ALA MB 3.500 . 3.500 2.165 2.121 2.191 . 0 0 "[ . 1 . 2]" 2
161 1 111 ALA MB 1 112 ALA H 3.500 . 3.500 2.194 2.050 2.355 . 0 0 "[ . 1 . 2]" 2
162 1 53 LEU H 1 89 ALA MB 6.000 . 6.000 3.925 3.498 4.177 . 0 0 "[ . 1 . 2]" 2
163 1 32 ALA MB 1 33 SER H 4.500 . 4.500 3.013 2.843 3.177 . 0 0 "[ . 1 . 2]" 2
164 1 91 ALA MB 1 92 SER H 3.500 . 3.500 2.349 2.008 2.873 . 0 0 "[ . 1 . 2]" 2
165 1 53 LEU HA 1 89 ALA MB 6.000 . 6.000 3.140 2.614 3.477 . 0 0 "[ . 1 . 2]" 2
166 1 52 ARG HA 1 89 ALA MB 6.000 . 6.000 4.145 3.667 4.758 . 0 0 "[ . 1 . 2]" 2
167 1 111 ALA MB 1 116 ASP QB 4.500 . 4.500 2.101 1.869 2.255 . 0 0 "[ . 1 . 2]" 2
168 1 31 LEU QB 1 121 ALA MB 3.500 . 3.500 3.224 1.862 3.599 0.099 19 0 "[ . 1 . 2]" 2
169 1 108 ALA MB 1 111 ALA MB 6.000 . 6.000 3.357 2.627 3.821 . 0 0 "[ . 1 . 2]" 2
170 1 106 ALA MB 1 110 GLU QB 6.000 . 6.000 3.937 3.441 4.242 . 0 0 "[ . 1 . 2]" 2
171 1 42 PRO QG 1 67 ALA MB 6.000 . 6.000 3.553 3.079 4.212 . 0 0 "[ . 1 . 2]" 2
172 1 31 LEU QD 1 106 ALA MB 3.500 . 3.500 1.865 1.686 2.324 0.114 4 0 "[ . 1 . 2]" 2
173 1 43 ILE MG 1 49 VAL QG 3.500 . 3.500 2.327 2.111 2.525 . 0 0 "[ . 1 . 2]" 2
174 1 40 MET QB 1 41 ALA MB 3.500 . 3.500 2.249 1.890 2.968 . 0 0 "[ . 1 . 2]" 2
175 1 37 PRO QB 1 41 ALA MB 4.500 . 4.500 3.382 3.189 3.505 . 0 0 "[ . 1 . 2]" 2
176 1 44 LEU H 1 70 ILE MD 4.500 . 4.500 3.546 3.389 3.735 . 0 0 "[ . 1 . 2]" 2
177 1 65 GLN QB 1 70 ILE MD 3.500 . 3.500 2.407 2.379 2.431 . 0 0 "[ . 1 . 2]" 2
178 1 41 ALA MB 1 70 ILE MD 3.500 . 3.500 2.537 2.291 2.852 . 0 0 "[ . 1 . 2]" 2
179 1 79 PHE HA 1 82 ALA MB 4.500 . 4.500 2.889 2.519 3.165 . 0 0 "[ . 1 . 2]" 2
180 1 90 LEU HA 1 92 SER HA 5.500 . 5.500 4.937 4.450 5.190 . 0 0 "[ . 1 . 2]" 2
181 1 96 GLY QA 1 112 ALA HA 6.000 . 6.000 4.867 4.407 5.213 . 0 0 "[ . 1 . 2]" 2
182 1 34 VAL QG 1 125 GLN H 6.000 . 6.000 2.987 2.516 4.105 . 0 0 "[ . 1 . 2]" 2
183 1 21 ALA MB 1 22 GLY H 4.500 . 4.500 2.178 1.813 2.888 . 0 0 "[ . 1 . 2]" 2
184 1 96 GLY QA 1 112 ALA MB 4.500 . 4.500 2.675 2.251 2.995 . 0 0 "[ . 1 . 2]" 2
185 1 40 MET QB 1 70 ILE MD 4.500 . 4.500 4.081 3.252 4.396 . 0 0 "[ . 1 . 2]" 2
186 1 106 ALA H 1 109 VAL QG 6.000 . 6.000 4.185 3.955 4.430 . 0 0 "[ . 1 . 2]" 2
187 1 30 ASP H 1 31 LEU H 4.500 . 4.500 2.544 2.471 2.653 . 0 0 "[ . 1 . 2]" 2
188 1 31 LEU H 1 31 LEU QB 3.500 . 3.500 2.141 2.029 2.360 . 0 0 "[ . 1 . 2]" 2
189 1 29 VAL QG 1 31 LEU H 4.500 . 4.500 2.752 1.888 3.057 . 0 0 "[ . 1 . 2]" 2
190 1 116 ASP QB 1 117 VAL H 5.500 . 5.500 3.663 3.292 3.831 . 0 0 "[ . 1 . 2]" 2
191 1 5 ILE MG 1 7 LEU H 4.500 . 4.500 2.417 1.838 3.530 . 0 0 "[ . 1 . 2]" 2
192 1 20 PRO QB 1 21 ALA H 4.500 . 4.500 2.524 2.351 2.720 . 0 0 "[ . 1 . 2]" 2
193 1 7 LEU H 1 7 LEU QB 3.500 . 3.500 2.738 1.836 3.338 . 0 0 "[ . 1 . 2]" 2
194 1 20 PRO QD 1 21 ALA H 5.500 . 5.500 3.601 3.281 3.909 . 0 0 "[ . 1 . 2]" 2
195 1 38 GLU QG 1 41 ALA H 4.500 . 4.500 2.744 2.561 2.945 . 0 0 "[ . 1 . 2]" 2
196 1 21 ALA H 1 22 GLY H 4.500 . 4.500 2.540 2.168 2.700 . 0 0 "[ . 1 . 2]" 2
197 1 55 PRO HA 1 57 LEU H 4.500 . 4.500 3.606 3.407 3.761 . 0 0 "[ . 1 . 2]" 2
198 1 56 TYR QB 1 57 LEU H 5.500 . 5.500 3.504 3.268 3.616 . 0 0 "[ . 1 . 2]" 2
199 1 53 LEU HG 1 57 LEU H 5.500 . 5.500 4.903 4.673 5.106 . 0 0 "[ . 1 . 2]" 2
200 1 53 LEU QD 1 57 LEU H 4.500 . 4.500 3.077 2.940 3.215 . 0 0 "[ . 1 . 2]" 2
201 1 53 LEU QB 1 57 LEU H 4.500 . 4.500 2.372 2.182 2.578 . 0 0 "[ . 1 . 2]" 2
202 1 87 SER H 1 88 ALA H 4.500 . 4.500 2.666 2.596 2.735 . 0 0 "[ . 1 . 2]" 2
203 1 139 ASP H 1 141 LYS H 4.500 . 4.500 4.182 2.895 4.882 0.382 17 0 "[ . 1 . 2]" 2
204 1 57 LEU HG 1 63 LEU H 4.500 . 4.500 3.099 2.006 4.245 . 0 0 "[ . 1 . 2]" 2
205 1 133 LYS H 1 133 LYS QG 4.500 . 4.500 2.605 2.068 3.526 . 0 0 "[ . 1 . 2]" 2
206 1 13 ILE MG 1 15 ALA H 5.500 . 5.500 3.877 3.580 3.990 . 0 0 "[ . 1 . 2]" 2
207 1 81 GLN HA 1 85 MET H 4.500 . 4.500 3.363 3.222 3.473 . 0 0 "[ . 1 . 2]" 2
208 1 83 LEU H 1 85 MET H 3.500 . 3.500 2.592 2.480 2.670 . 0 0 "[ . 1 . 2]" 2
209 1 83 LEU HA 1 85 MET H 4.500 . 4.500 2.655 2.606 2.703 . 0 0 "[ . 1 . 2]" 2
210 1 48 ASP QB 1 49 VAL H 3.500 . 3.500 2.518 2.278 2.987 . 0 0 "[ . 1 . 2]" 2
211 1 88 ALA H 1 90 LEU H 5.500 . 5.500 3.799 3.547 3.984 . 0 0 "[ . 1 . 2]" 2
212 1 88 ALA HA 1 90 LEU H 4.500 . 4.500 3.391 3.295 3.431 . 0 0 "[ . 1 . 2]" 2
213 1 10 LEU HG 1 13 ILE H 5.500 . 5.500 3.871 3.389 4.686 . 0 0 "[ . 1 . 2]" 2
214 1 90 LEU H 1 90 LEU QD 4.500 . 4.500 3.283 3.007 3.760 . 0 0 "[ . 1 . 2]" 2
215 1 28 GLN H 1 29 VAL HA 6.000 . 6.000 4.891 4.410 5.387 . 0 0 "[ . 1 . 2]" 2
216 1 117 VAL HA 1 120 PHE H 3.500 . 3.500 2.206 2.166 2.248 . 0 0 "[ . 1 . 2]" 2
217 1 13 ILE H 1 13 ILE MG 4.500 . 4.500 2.624 2.031 3.597 . 0 0 "[ . 1 . 2]" 2
218 1 88 ALA H 1 91 ALA H 3.500 . 3.500 2.625 2.449 2.802 . 0 0 "[ . 1 . 2]" 2
219 1 26 GLY QA 1 28 GLN H 5.500 . 5.500 4.634 3.398 5.653 0.153 17 0 "[ . 1 . 2]" 2
220 1 88 ALA HA 1 91 ALA H 4.500 . 4.500 3.378 3.287 3.522 . 0 0 "[ . 1 . 2]" 2
221 1 90 LEU HG 1 91 ALA H 4.500 . 4.500 2.728 2.301 3.544 . 0 0 "[ . 1 . 2]" 2
222 1 27 GLN QG 1 28 GLN H 4.500 . 4.500 3.492 2.444 4.334 . 0 0 "[ . 1 . 2]" 2
223 1 140 LYS QG 1 142 ASP H 5.500 . 5.500 3.586 2.024 4.406 . 0 0 "[ . 1 . 2]" 2
224 1 139 ASP QB 1 140 LYS H 4.500 . 4.500 3.014 1.978 3.985 . 0 0 "[ . 1 . 2]" 2
225 1 140 LYS QB 1 142 ASP H 4.500 . 4.500 2.952 2.040 3.912 . 0 0 "[ . 1 . 2]" 2
226 1 140 LYS HA 1 142 ASP H 3.500 . 3.500 2.922 2.269 3.489 . 0 0 "[ . 1 . 2]" 2
227 1 111 ALA MB 1 119 ALA H 4.500 . 4.500 3.763 3.202 4.295 . 0 0 "[ . 1 . 2]" 2
228 1 10 LEU H 1 10 LEU QB 3.500 . 3.500 2.092 1.788 2.482 0.012 20 0 "[ . 1 . 2]" 2
229 1 105 PRO QD 1 108 ALA H 5.500 . 5.500 4.093 3.674 4.408 . 0 0 "[ . 1 . 2]" 2
230 1 34 VAL HB 1 35 LEU H 3.500 . 3.500 2.220 2.152 2.291 . 0 0 "[ . 1 . 2]" 2
231 1 108 ALA H 1 109 VAL QG 4.500 . 4.500 3.740 3.511 3.930 . 0 0 "[ . 1 . 2]" 2
232 1 34 VAL QG 1 35 LEU H 3.500 . 3.500 2.032 1.929 2.131 . 0 0 "[ . 1 . 2]" 2
233 1 7 LEU QD 1 10 LEU H 4.500 . 4.500 2.714 1.730 3.183 0.070 7 0 "[ . 1 . 2]" 2
234 1 137 THR HA 1 139 ASP H 3.500 . 3.500 2.455 2.118 3.353 . 0 0 "[ . 1 . 2]" 2
235 1 35 LEU H 1 39 ILE HB 5.500 . 5.500 4.741 4.348 5.423 . 0 0 "[ . 1 . 2]" 2
236 1 87 SER H 1 89 ALA H 4.500 . 4.500 2.683 2.517 2.794 . 0 0 "[ . 1 . 2]" 2
237 1 88 ALA H 1 89 ALA H 4.500 . 4.500 2.587 2.475 2.746 . 0 0 "[ . 1 . 2]" 2
238 1 117 VAL HA 1 121 ALA H 4.500 . 4.500 2.451 2.318 2.566 . 0 0 "[ . 1 . 2]" 2
239 1 125 GLN H 1 126 ASN H 4.500 . 4.500 2.731 2.507 2.918 . 0 0 "[ . 1 . 2]" 2
240 1 31 LEU QD 1 32 ALA H 4.500 . 4.500 2.974 2.689 3.404 . 0 0 "[ . 1 . 2]" 2
241 1 31 LEU QB 1 32 ALA H 4.500 . 4.500 2.804 2.592 3.030 . 0 0 "[ . 1 . 2]" 2
242 1 117 VAL QG 1 118 GLU H 4.500 . 4.500 2.394 2.163 2.768 . 0 0 "[ . 1 . 2]" 2
243 1 116 ASP QB 1 118 GLU H 4.500 . 4.500 2.318 1.915 2.721 . 0 0 "[ . 1 . 2]" 2
244 1 111 ALA H 1 112 ALA H 3.500 . 3.500 2.634 2.517 2.718 . 0 0 "[ . 1 . 2]" 2
245 1 109 VAL H 1 110 GLU H 3.500 . 3.500 2.325 2.265 2.434 . 0 0 "[ . 1 . 2]" 2
246 1 104 LEU QB 1 109 VAL H 4.500 . 4.500 3.919 3.514 4.341 . 0 0 "[ . 1 . 2]" 2
247 1 106 ALA HA 1 109 VAL H 3.500 . 3.500 2.872 2.697 2.976 . 0 0 "[ . 1 . 2]" 2
248 1 59 SER HA 1 61 GLU H 4.500 . 4.500 2.743 2.606 2.883 . 0 0 "[ . 1 . 2]" 2
249 1 25 GLY QA 1 27 GLN H 3.500 . 3.500 2.285 2.077 2.727 . 0 0 "[ . 1 . 2]" 2
250 1 109 VAL QG 1 112 ALA H 4.500 . 4.500 3.657 3.439 3.824 . 0 0 "[ . 1 . 2]" 2
251 1 109 VAL H 1 112 ALA H 3.500 . 3.500 2.667 2.536 2.744 . 0 0 "[ . 1 . 2]" 2
252 1 96 GLY QA 1 112 ALA H 4.500 . 4.500 2.974 2.500 3.201 . 0 0 "[ . 1 . 2]" 2
253 1 96 GLY H 1 113 ASN H 3.500 . 3.500 2.485 2.347 2.625 . 0 0 "[ . 1 . 2]" 2
254 1 27 GLN H 1 109 VAL HB 4.500 . 4.500 3.620 2.810 4.007 . 0 0 "[ . 1 . 2]" 2
255 1 109 VAL QG 1 110 GLU H 4.500 . 4.500 2.193 2.049 2.242 . 0 0 "[ . 1 . 2]" 2
256 1 99 MET H 1 112 ALA H 4.500 . 4.500 4.380 4.202 4.592 0.092 8 0 "[ . 1 . 2]" 2
257 1 106 ALA MB 1 110 GLU H 4.500 . 4.500 4.149 3.945 4.359 . 0 0 "[ . 1 . 2]" 2
258 1 46 ASN H 1 48 ASP QB 5.500 . 5.500 5.168 5.018 5.478 . 0 0 "[ . 1 . 2]" 2
259 1 53 LEU HG 1 86 PHE H 4.500 . 4.500 2.635 2.423 2.768 . 0 0 "[ . 1 . 2]" 2
260 1 112 ALA H 1 116 ASP H 4.500 . 4.500 3.835 3.653 3.988 . 0 0 "[ . 1 . 2]" 2
261 1 10 LEU H 1 11 GLN H 4.500 . 4.500 2.228 2.051 2.430 . 0 0 "[ . 1 . 2]" 2
262 1 53 LEU QD 1 86 PHE H 4.500 . 4.500 2.923 2.604 3.365 . 0 0 "[ . 1 . 2]" 2
263 1 94 GLN HA 1 116 ASP H 4.500 . 4.500 3.358 3.066 3.705 . 0 0 "[ . 1 . 2]" 2
264 1 10 LEU QB 1 11 GLN H 4.500 . 4.500 3.216 2.785 3.685 . 0 0 "[ . 1 . 2]" 2
265 1 123 ALA HA 1 127 ASN H 5.500 . 5.500 3.749 3.390 3.909 . 0 0 "[ . 1 . 2]" 2
266 1 100 CYS H 1 101 GLN H 4.500 . 4.500 2.507 2.349 2.713 . 0 0 "[ . 1 . 2]" 2
267 1 101 GLN H 1 101 GLN QG 4.500 . 4.500 2.501 1.859 3.958 . 0 0 "[ . 1 . 2]" 2
268 1 79 PHE HA 1 83 LEU H 4.500 . 4.500 3.243 3.186 3.288 . 0 0 "[ . 1 . 2]" 2
269 1 48 ASP QB 1 101 GLN H 4.500 . 4.500 3.223 2.759 3.706 . 0 0 "[ . 1 . 2]" 2
270 1 82 ALA MB 1 83 LEU H 3.500 . 3.500 2.044 2.010 2.075 . 0 0 "[ . 1 . 2]" 2
271 1 44 LEU QD 1 83 LEU H 4.500 . 4.500 3.539 3.459 3.622 . 0 0 "[ . 1 . 2]" 2
272 1 125 GLN H 1 126 ASN H 3.500 . 3.500 2.700 2.479 2.885 . 0 0 "[ . 1 . 2]" 2
273 1 123 ALA HA 1 126 ASN H 3.500 . 3.500 3.244 3.077 3.374 . 0 0 "[ . 1 . 2]" 2
274 1 122 LYS QB 1 126 ASN H 5.500 . 5.500 4.166 3.903 4.413 . 0 0 "[ . 1 . 2]" 2
275 1 78 GLN HA 1 80 GLN H 5.500 . 5.500 3.443 3.247 3.491 . 0 0 "[ . 1 . 2]" 2
276 1 51 GLU H 1 52 ARG QG 4.500 . 4.500 4.044 3.862 4.241 . 0 0 "[ . 1 . 2]" 2
277 1 48 ASP H 1 50 GLN H 4.500 . 4.500 3.741 3.614 3.882 . 0 0 "[ . 1 . 2]" 2
278 1 48 ASP QB 1 50 GLN H 4.500 . 4.500 3.715 3.604 3.823 . 0 0 "[ . 1 . 2]" 2
279 1 32 ALA MB 1 34 VAL H 4.500 . 4.500 4.115 3.934 4.284 . 0 0 "[ . 1 . 2]" 2
280 1 65 GLN H 1 65 GLN QG 4.500 . 4.500 2.435 1.848 3.461 . 0 0 "[ . 1 . 2]" 2
281 1 64 PRO QG 1 65 GLN H 3.500 . 3.500 2.539 2.324 2.797 . 0 0 "[ . 1 . 2]" 2
282 1 34 VAL H 1 34 VAL QG 3.500 . 3.500 2.132 1.914 2.280 . 0 0 "[ . 1 . 2]" 2
283 1 112 ALA H 1 114 LYS H 3.500 . 3.500 2.494 2.344 2.653 . 0 0 "[ . 1 . 2]" 2
284 1 100 CYS H 1 102 PHE H 4.500 . 4.500 3.693 3.285 4.098 . 0 0 "[ . 1 . 2]" 2
285 1 98 LEU HA 1 102 PHE H 4.500 . 4.500 3.425 3.339 3.521 . 0 0 "[ . 1 . 2]" 2
286 1 94 GLN HA 1 114 LYS H 4.500 . 4.500 3.545 3.262 3.756 . 0 0 "[ . 1 . 2]" 2
287 1 68 ASP H 1 70 ILE HB 6.000 . 6.000 4.640 4.525 4.811 . 0 0 "[ . 1 . 2]" 2
288 1 31 LEU HA 1 122 LYS H 4.500 . 4.500 3.425 3.058 3.624 . 0 0 "[ . 1 . 2]" 2
289 1 68 ASP HA 1 71 GLN H 4.500 . 4.500 3.635 3.236 4.052 . 0 0 "[ . 1 . 2]" 2
290 1 70 ILE HB 1 71 GLN H 3.500 . 3.500 2.197 2.104 2.310 . 0 0 "[ . 1 . 2]" 2
291 1 98 LEU H 1 100 CYS H 4.500 . 4.500 3.793 3.593 4.012 . 0 0 "[ . 1 . 2]" 2
292 1 99 MET QB 1 100 CYS H 5.500 . 5.500 2.785 2.249 3.034 . 0 0 "[ . 1 . 2]" 2
293 1 100 CYS H 1 109 VAL QG 4.500 . 4.500 2.980 2.321 4.344 . 0 0 "[ . 1 . 2]" 2
294 1 92 SER HA 1 94 GLN H 4.500 . 4.500 2.737 2.327 2.815 . 0 0 "[ . 1 . 2]" 2
295 1 43 ILE H 1 43 ILE MD 4.500 . 4.500 2.492 2.184 3.590 . 0 0 "[ . 1 . 2]" 2
296 1 10 LEU HA 1 12 SER H 4.500 . 4.500 3.142 2.862 3.400 . 0 0 "[ . 1 . 2]" 2
297 1 41 ALA MB 1 45 ALA H 4.500 . 4.500 4.075 3.836 4.271 . 0 0 "[ . 1 . 2]" 2
298 1 43 ILE MD 1 45 ALA H 4.500 . 4.500 3.574 3.220 3.854 . 0 0 "[ . 1 . 2]" 2
299 1 7 LEU QB 1 8 SER H 4.500 . 4.500 3.263 2.274 3.737 . 0 0 "[ . 1 . 2]" 2
300 1 52 ARG H 1 53 LEU QD 5.500 . 5.500 3.339 3.074 3.641 . 0 0 "[ . 1 . 2]" 2
301 1 52 ARG H 1 52 ARG QG 3.500 . 3.500 2.490 2.213 2.781 . 0 0 "[ . 1 . 2]" 2
302 1 49 VAL QG 1 52 ARG H 4.500 . 4.500 3.398 3.191 3.633 . 0 0 "[ . 1 . 2]" 2
303 1 123 ALA HA 1 124 MET H 4.500 . 4.500 3.482 3.456 3.501 . 0 0 "[ . 1 . 2]" 2
304 1 123 ALA H 1 124 MET H 3.500 . 3.500 2.360 2.272 2.434 . 0 0 "[ . 1 . 2]" 2
305 1 98 LEU H 1 98 LEU QB 2.800 . 2.800 2.061 1.998 2.228 . 0 0 "[ . 1 . 2]" 2
306 1 95 LEU H 1 95 LEU HG 4.500 . 4.500 2.155 1.876 3.042 . 0 0 "[ . 1 . 2]" 2
307 1 94 GLN QB 1 95 LEU H 5.500 . 5.500 3.596 3.020 3.951 . 0 0 "[ . 1 . 2]" 2
308 1 36 THR HA 1 38 GLU H 4.500 . 4.500 2.942 2.472 3.479 . 0 0 "[ . 1 . 2]" 2
309 1 52 ARG HA 1 56 TYR H 4.500 . 4.500 3.297 3.236 3.373 . 0 0 "[ . 1 . 2]" 2
310 1 37 PRO HA 1 38 GLU H 4.500 . 4.500 2.882 2.598 3.192 . 0 0 "[ . 1 . 2]" 2
311 1 97 PRO QB 1 98 LEU H 4.500 . 4.500 3.510 3.255 3.639 . 0 0 "[ . 1 . 2]" 2
312 1 37 PRO QB 1 38 GLU H 3.500 . 3.500 2.245 2.041 2.483 . 0 0 "[ . 1 . 2]" 2
313 1 36 THR MG 1 38 GLU H 5.500 . 5.500 3.697 3.567 3.833 . 0 0 "[ . 1 . 2]" 2
314 1 53 LEU HG 1 56 TYR H 4.500 . 4.500 3.518 2.921 3.755 . 0 0 "[ . 1 . 2]" 2
315 1 53 LEU QD 1 87 SER H 5.500 . 5.500 3.367 3.126 3.629 . 0 0 "[ . 1 . 2]" 2
316 1 98 LEU HA 1 99 MET H 4.500 . 4.500 3.371 3.261 3.454 . 0 0 "[ . 1 . 2]" 2
317 1 96 GLY QA 1 99 MET H 5.500 . 5.500 3.856 3.612 4.206 . 0 0 "[ . 1 . 2]" 2
318 1 95 LEU QB 1 99 MET H 4.500 . 4.500 3.778 3.414 4.362 . 0 0 "[ . 1 . 2]" 2
319 1 99 MET H 1 101 GLN QG 4.500 . 4.500 3.862 3.420 4.419 . 0 0 "[ . 1 . 2]" 2
320 1 99 MET H 1 109 VAL QG 4.500 . 4.500 2.925 2.290 4.413 . 0 0 "[ . 1 . 2]" 2
321 1 43 ILE HB 1 44 LEU H 3.500 . 3.500 2.688 2.353 2.861 . 0 0 "[ . 1 . 2]" 2
322 1 44 LEU H 1 49 VAL QG 5.500 . 5.500 3.933 3.665 4.269 . 0 0 "[ . 1 . 2]" 2
323 1 43 ILE MD 1 44 LEU H 4.500 . 4.500 3.476 3.337 3.695 . 0 0 "[ . 1 . 2]" 2
324 1 69 GLU HA 1 73 THR H 4.500 . 4.500 4.213 3.927 4.660 0.160 19 0 "[ . 1 . 2]" 2
325 1 38 GLU HA 1 40 MET H 4.500 . 4.500 3.429 3.369 3.487 . 0 0 "[ . 1 . 2]" 2
326 1 39 ILE QG 1 40 MET H 4.500 . 4.500 3.713 3.607 3.858 . 0 0 "[ . 1 . 2]" 2
327 1 39 ILE QG 1 40 MET H 5.500 . 5.500 3.759 3.646 3.928 . 0 0 "[ . 1 . 2]" 2
328 1 15 ALA H 1 16 THR H 4.500 . 4.500 2.685 2.263 3.325 . 0 0 "[ . 1 . 2]" 2
329 1 31 LEU QB 1 33 SER H 6.000 . 6.000 4.385 4.266 4.538 . 0 0 "[ . 1 . 2]" 2
330 1 30 ASP H 1 33 SER H 3.500 . 3.500 2.687 2.538 2.758 . 0 0 "[ . 1 . 2]" 2
331 1 88 ALA HA 1 92 SER H 4.500 . 4.500 3.279 3.077 3.416 . 0 0 "[ . 1 . 2]" 2
332 1 83 LEU H 1 84 GLY H 4.500 . 4.500 2.709 2.597 2.809 . 0 0 "[ . 1 . 2]" 2
333 1 36 THR H 1 36 THR MG 3.500 . 3.500 2.376 2.149 2.707 . 0 0 "[ . 1 . 2]" 2
334 1 112 ALA H 1 115 GLY H 4.500 . 4.500 3.532 3.463 3.636 . 0 0 "[ . 1 . 2]" 2
335 1 35 LEU H 1 36 THR H 5.500 . 5.500 3.940 3.630 4.209 . 0 0 "[ . 1 . 2]" 2
336 1 91 ALA HA 1 115 GLY H 4.500 . 4.500 3.347 3.211 3.404 . 0 0 "[ . 1 . 2]" 2
337 1 81 GLN HA 1 84 GLY H 4.500 . 4.500 3.483 3.278 3.676 . 0 0 "[ . 1 . 2]" 2
338 1 94 GLN QB 1 115 GLY H 5.500 . 5.500 2.879 2.670 3.311 . 0 0 "[ . 1 . 2]" 2
339 1 95 LEU HA 1 96 GLY H 4.500 . 4.500 3.446 3.323 3.523 . 0 0 "[ . 1 . 2]" 2
340 1 90 LEU HA 1 96 GLY H 4.500 . 4.500 4.092 3.774 4.251 . 0 0 "[ . 1 . 2]" 2
341 1 95 LEU QB 1 96 GLY H 4.500 . 4.500 2.524 1.920 3.012 . 0 0 "[ . 1 . 2]" 2
342 1 107 GLU H 1 109 VAL H 5.500 . 5.500 4.176 4.070 4.328 . 0 0 "[ . 1 . 2]" 2
343 1 56 TYR HA 1 56 TYR QE 6.000 . 6.000 3.879 3.071 4.324 . 0 0 "[ . 1 . 2]" 2
344 1 56 TYR QE 1 89 ALA HA 6.000 . 6.000 3.225 2.726 4.311 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 37
_Distance_constraint_stats_list.Viol_total 26.006
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0351
_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 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.199 0.068 11 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.199 0.068 11 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLN 0.011 0.011 9 0 "[ . 1 . 2]"
1 79 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.011 0.011 9 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 SER 0.009 0.009 9 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.164 0.047 13 0 "[ . 1 . 2]"
1 90 LEU 0.506 0.279 4 0 "[ . 1 . 2]"
1 91 ALA 0.009 0.009 9 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.164 0.047 13 0 "[ . 1 . 2]"
1 94 GLN 0.506 0.279 4 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLU 0.069 0.031 19 0 "[ . 1 . 2]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLU 0.102 0.069 1 0 "[ . 1 . 2]"
1 111 ALA 0.069 0.031 19 0 "[ . 1 . 2]"
1 112 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 LYS 0.102 0.069 1 0 "[ . 1 . 2]"
1 117 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 PHE 0.071 0.047 13 0 "[ . 1 . 2]"
1 121 ALA 0.036 0.036 4 0 "[ . 1 . 2]"
1 122 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.135 0.091 18 0 "[ . 1 . 2]"
1 124 MET 0.071 0.047 13 0 "[ . 1 . 2]"
1 125 GLN 0.036 0.036 4 0 "[ . 1 . 2]"
1 126 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ASN 0.135 0.091 18 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 46 ASN O 1 50 GLN H 2.000 . 2.500 2.141 1.826 2.405 . 0 0 "[ . 1 . 2]" 3
2 1 46 ASN O 1 50 GLN N 3.000 2.300 3.500 3.058 2.726 3.327 . 0 0 "[ . 1 . 2]" 3
3 1 47 ALA O 1 51 GLU H 2.000 . 2.500 2.297 1.826 2.568 0.068 11 0 "[ . 1 . 2]" 3
4 1 47 ALA O 1 51 GLU N 3.000 2.300 3.500 3.124 2.789 3.390 . 0 0 "[ . 1 . 2]" 3
5 1 67 ALA O 1 71 GLN H 2.000 . 2.500 2.020 1.791 2.288 . 0 0 "[ . 1 . 2]" 3
6 1 67 ALA O 1 71 GLN N 3.000 2.300 3.500 2.946 2.755 3.156 . 0 0 "[ . 1 . 2]" 3
7 1 78 GLN O 1 82 ALA H 2.000 . 2.500 2.065 1.842 2.511 0.011 9 0 "[ . 1 . 2]" 3
8 1 78 GLN O 1 82 ALA N 3.000 2.300 3.500 3.002 2.783 3.440 . 0 0 "[ . 1 . 2]" 3
9 1 79 PHE O 1 83 LEU H 2.000 . 2.500 1.936 1.785 2.202 . 0 0 "[ . 1 . 2]" 3
10 1 79 PHE O 1 83 LEU N 3.000 2.300 3.500 2.894 2.748 3.135 . 0 0 "[ . 1 . 2]" 3
11 1 80 GLN O 1 84 GLY H 2.000 . 2.500 1.929 1.721 2.318 . 0 0 "[ . 1 . 2]" 3
12 1 80 GLN O 1 84 GLY N 3.000 2.300 3.500 2.862 2.668 3.257 . 0 0 "[ . 1 . 2]" 3
13 1 81 GLN O 1 85 MET H 2.000 . 2.500 2.006 1.828 2.326 . 0 0 "[ . 1 . 2]" 3
14 1 81 GLN O 1 85 MET N 3.000 2.300 3.500 2.955 2.794 3.272 . 0 0 "[ . 1 . 2]" 3
15 1 82 ALA O 1 86 PHE H 2.000 . 2.500 1.905 1.790 2.033 . 0 0 "[ . 1 . 2]" 3
16 1 82 ALA O 1 86 PHE N 3.000 2.300 3.500 2.828 2.733 2.959 . 0 0 "[ . 1 . 2]" 3
17 1 83 LEU O 1 87 SER H 2.000 . 2.500 2.005 1.796 2.207 . 0 0 "[ . 1 . 2]" 3
18 1 83 LEU O 1 87 SER N 3.000 2.300 3.500 2.932 2.742 3.140 . 0 0 "[ . 1 . 2]" 3
19 1 84 GLY O 1 88 ALA H 2.000 . 2.500 2.170 1.947 2.461 . 0 0 "[ . 1 . 2]" 3
20 1 84 GLY O 1 88 ALA N 3.000 2.300 3.500 3.084 2.849 3.379 . 0 0 "[ . 1 . 2]" 3
21 1 85 MET O 1 89 ALA H 2.000 . 2.500 1.892 1.764 2.097 . 0 0 "[ . 1 . 2]" 3
22 1 85 MET O 1 89 ALA N 3.000 2.300 3.500 2.818 2.677 3.047 . 0 0 "[ . 1 . 2]" 3
23 1 86 PHE O 1 90 LEU H 2.000 . 2.500 2.049 1.919 2.273 . 0 0 "[ . 1 . 2]" 3
24 1 86 PHE O 1 90 LEU N 3.000 2.300 3.500 2.971 2.748 3.231 . 0 0 "[ . 1 . 2]" 3
25 1 87 SER O 1 91 ALA H 2.000 . 2.500 2.195 1.902 2.509 0.009 9 0 "[ . 1 . 2]" 3
26 1 87 SER O 1 91 ALA N 3.000 2.300 3.500 3.079 2.864 3.353 . 0 0 "[ . 1 . 2]" 3
27 1 88 ALA O 1 92 SER H 2.000 . 2.500 1.898 1.752 2.259 . 0 0 "[ . 1 . 2]" 3
28 1 88 ALA O 1 92 SER N 3.000 2.300 3.500 2.811 2.706 2.965 . 0 0 "[ . 1 . 2]" 3
29 1 89 ALA O 1 93 GLY H 2.000 . 2.500 2.227 1.755 2.547 0.047 13 0 "[ . 1 . 2]" 3
30 1 89 ALA O 1 93 GLY N 3.000 2.300 3.500 2.910 2.700 3.094 . 0 0 "[ . 1 . 2]" 3
31 1 90 LEU O 1 94 GLN H 2.000 . 2.500 2.449 2.174 2.779 0.279 4 0 "[ . 1 . 2]" 3
32 1 90 LEU O 1 94 GLN N 3.000 2.300 3.500 3.097 2.730 3.312 . 0 0 "[ . 1 . 2]" 3
33 1 106 ALA O 1 110 GLU H 2.000 . 2.500 2.064 1.829 2.429 . 0 0 "[ . 1 . 2]" 3
34 1 106 ALA O 1 110 GLU N 3.000 2.300 3.500 3.009 2.778 3.360 . 0 0 "[ . 1 . 2]" 3
35 1 107 GLU O 1 111 ALA H 2.000 . 2.500 2.321 2.027 2.531 0.031 19 0 "[ . 1 . 2]" 3
36 1 107 GLU O 1 111 ALA N 3.000 2.300 3.500 3.202 2.950 3.479 . 0 0 "[ . 1 . 2]" 3
37 1 108 ALA O 1 112 ALA H 2.000 . 2.500 2.076 1.889 2.381 . 0 0 "[ . 1 . 2]" 3
38 1 108 ALA O 1 112 ALA N 3.000 2.300 3.500 3.017 2.826 3.332 . 0 0 "[ . 1 . 2]" 3
39 1 109 VAL O 1 113 ASN H 2.000 . 2.500 2.068 1.917 2.288 . 0 0 "[ . 1 . 2]" 3
40 1 109 VAL O 1 113 ASN N 3.000 2.300 3.500 2.848 2.722 2.982 . 0 0 "[ . 1 . 2]" 3
41 1 110 GLU O 1 114 LYS H 2.000 . 2.500 2.091 1.813 2.569 0.069 1 0 "[ . 1 . 2]" 3
42 1 110 GLU O 1 114 LYS N 3.000 2.300 3.500 3.009 2.709 3.484 . 0 0 "[ . 1 . 2]" 3
43 1 117 VAL O 1 121 ALA H 2.000 . 2.500 2.097 1.853 2.326 . 0 0 "[ . 1 . 2]" 3
44 1 117 VAL O 1 121 ALA N 3.000 2.300 3.500 3.023 2.806 3.267 . 0 0 "[ . 1 . 2]" 3
45 1 118 GLU O 1 122 LYS H 2.000 . 2.500 1.869 1.678 2.210 . 0 0 "[ . 1 . 2]" 3
46 1 118 GLU O 1 122 LYS N 3.000 2.300 3.500 2.837 2.659 3.126 . 0 0 "[ . 1 . 2]" 3
47 1 119 ALA O 1 123 ALA H 2.000 . 2.500 1.987 1.856 2.139 . 0 0 "[ . 1 . 2]" 3
48 1 119 ALA O 1 123 ALA N 3.000 2.300 3.500 2.886 2.756 3.011 . 0 0 "[ . 1 . 2]" 3
49 1 120 PHE O 1 124 MET H 2.000 . 2.500 2.294 1.949 2.547 0.047 13 0 "[ . 1 . 2]" 3
50 1 120 PHE O 1 124 MET N 3.000 2.300 3.500 3.216 2.902 3.423 . 0 0 "[ . 1 . 2]" 3
51 1 121 ALA O 1 125 GLN H 2.000 . 2.500 1.983 1.803 2.536 0.036 4 0 "[ . 1 . 2]" 3
52 1 121 ALA O 1 125 GLN N 3.000 2.300 3.500 2.892 2.731 3.222 . 0 0 "[ . 1 . 2]" 3
53 1 122 LYS O 1 126 ASN H 2.000 . 2.500 2.020 1.774 2.459 . 0 0 "[ . 1 . 2]" 3
54 1 122 LYS O 1 126 ASN N 3.000 2.300 3.500 2.948 2.718 3.253 . 0 0 "[ . 1 . 2]" 3
55 1 123 ALA O 1 127 ASN H 2.000 . 2.500 2.225 1.915 2.591 0.091 18 0 "[ . 1 . 2]" 3
56 1 123 ALA O 1 127 ASN N 3.000 2.300 3.500 2.990 2.823 3.378 . 0 0 "[ . 1 . 2]" 3
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