NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
652514 |
6xrg   |
30772 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6xrg
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 729
_Distance_constraint_stats_list.Viol_count 302
_Distance_constraint_stats_list.Viol_total 371.346
_Distance_constraint_stats_list.Viol_max 0.606
_Distance_constraint_stats_list.Viol_rms 0.0128
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0615
_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 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.106 0.059 12 0 "[ . 1 . 2]"
1 16 MET 0.096 0.065 18 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.106 0.059 12 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.366 0.052 14 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.096 0.065 18 0 "[ . 1 . 2]"
1 70 LEU 2.070 0.227 1 0 "[ . 1 . 2]"
1 71 VAL 3.528 0.160 16 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.366 0.052 14 0 "[ . 1 . 2]"
1 89 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 MET 1.789 0.160 16 0 "[ . 1 . 2]"
1 95 LEU 1.491 0.107 3 0 "[ . 1 . 2]"
1 96 LEU 0.044 0.023 15 0 "[ . 1 . 2]"
1 99 LEU 0.723 0.073 1 0 "[ . 1 . 2]"
1 107 VAL 0.541 0.090 20 0 "[ . 1 . 2]"
1 109 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 VAL 0.459 0.090 20 0 "[ . 1 . 2]"
1 112 LEU 0.239 0.055 11 0 "[ . 1 . 2]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 MET 0.095 0.040 2 0 "[ . 1 . 2]"
1 116 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ILE 0.139 0.040 2 0 "[ . 1 . 2]"
1 122 ALA 2.104 0.227 1 0 "[ . 1 . 2]"
1 123 MET 0.317 0.080 20 0 "[ . 1 . 2]"
1 126 LEU 0.038 0.027 11 0 "[ . 1 . 2]"
1 131 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 LEU 0.335 0.080 20 0 "[ . 1 . 2]"
1 138 ALA 0.021 0.021 6 0 "[ . 1 . 2]"
1 142 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 VAL 3.213 0.197 1 0 "[ . 1 . 2]"
1 148 LEU 0.589 0.100 4 0 "[ . 1 . 2]"
1 149 VAL 3.508 0.197 1 0 "[ . 1 . 2]"
1 151 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 ALA 1.739 0.145 18 0 "[ . 1 . 2]"
1 160 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 169 ALA 0.261 0.164 7 0 "[ . 1 . 2]"
1 175 ILE 0.051 0.051 12 0 "[ . 1 . 2]"
1 177 TRP 0.140 0.095 8 0 "[ . 1 . 2]"
1 178 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 179 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 183 LEU 0.261 0.164 7 0 "[ . 1 . 2]"
1 190 ILE 0.361 0.361 9 0 "[ . 1 . 2]"
1 194 VAL 0.583 0.115 17 0 "[ . 1 . 2]"
1 196 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 199 VAL 2.525 0.606 5 1 "[ + 1 . 2]"
1 200 LEU 0.184 0.095 8 0 "[ . 1 . 2]"
1 201 LEU 0.142 0.050 7 0 "[ . 1 . 2]"
1 202 TRP 0.202 0.073 19 0 "[ . 1 . 2]"
1 204 ILE 0.063 0.030 9 0 "[ . 1 . 2]"
1 205 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 206 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 209 MET 2.854 0.606 5 1 "[ + 1 . 2]"
1 215 ILE 0.095 0.035 7 0 "[ . 1 . 2]"
1 217 LEU 0.052 0.051 12 0 "[ . 1 . 2]"
1 220 VAL 0.143 0.081 11 0 "[ . 1 . 2]"
1 223 LEU 0.238 0.081 11 0 "[ . 1 . 2]"
1 224 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 230 MET 0.333 0.162 20 0 "[ . 1 . 2]"
1 240 VAL 0.374 0.078 18 0 "[ . 1 . 2]"
1 243 LEU 0.929 0.074 9 0 "[ . 1 . 2]"
1 244 MET 0.561 0.078 18 0 "[ . 1 . 2]"
1 246 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 248 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 258 PHE 0.443 0.361 9 0 "[ . 1 . 2]"
1 261 ILE 0.501 0.115 17 0 "[ . 1 . 2]"
1 264 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 265 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 267 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 268 MET 0.601 0.074 9 0 "[ . 1 . 2]"
1 269 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 274 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 278 VAL 0.561 0.176 1 0 "[ . 1 . 2]"
1 282 LEU 0.561 0.176 1 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 14 ILE MD 1 40 VAL CG2 3.750 . 6.000 5.369 3.899 5.719 . 0 0 "[ . 1 . 2]" 1
2 1 9 MET CE 1 14 ILE MD 3.360 . 5.220 4.202 2.841 4.893 . 0 0 "[ . 1 . 2]" 1
3 1 14 ILE MD 1 86 ILE CD1 3.180 . 4.860 3.530 2.923 3.930 . 0 0 "[ . 1 . 2]" 1
4 1 14 ILE MD 1 42 VAL CG1 3.420 . 5.340 3.950 3.013 4.592 . 0 0 "[ . 1 . 2]" 1
5 1 40 VAL MG2 1 86 ILE CD1 3.400 . 5.300 2.432 2.394 2.477 . 0 0 "[ . 1 . 2]" 1
6 1 14 ILE CD1 1 40 VAL MG2 3.620 . 5.740 5.206 3.832 5.500 . 0 0 "[ . 1 . 2]" 1
7 1 40 VAL MG2 1 74 LEU CD1 3.290 . 5.080 4.754 4.598 4.877 . 0 0 "[ . 1 . 2]" 1
8 1 9 MET CE 1 40 VAL MG2 4.210 . 6.920 6.118 5.498 6.514 . 0 0 "[ . 1 . 2]" 1
9 1 40 VAL CG2 1 74 LEU MD1 3.350 . 5.200 4.184 4.030 4.309 . 0 0 "[ . 1 . 2]" 1
10 1 14 ILE MD 1 42 VAL CG2 3.590 . 5.680 3.833 2.593 4.454 . 0 0 "[ . 1 . 2]" 1
11 1 40 VAL CG2 1 86 ILE MD 3.220 . 4.940 2.682 2.607 2.739 . 0 0 "[ . 1 . 2]" 1
12 1 40 VAL CG1 1 86 ILE MD 3.540 . 5.580 2.686 2.655 2.729 . 0 0 "[ . 1 . 2]" 1
13 1 42 VAL CG2 1 86 ILE MD 3.470 . 5.440 3.662 3.460 3.874 . 0 0 "[ . 1 . 2]" 1
14 1 42 VAL CG1 1 86 ILE MD 3.690 . 5.880 5.145 4.683 5.407 . 0 0 "[ . 1 . 2]" 1
15 1 14 ILE CD1 1 86 ILE MD 3.200 . 4.900 3.410 2.672 3.791 . 0 0 "[ . 1 . 2]" 1
16 1 74 LEU CD1 1 86 ILE MD 3.530 . 5.550 3.739 3.452 3.979 . 0 0 "[ . 1 . 2]" 1
17 1 95 LEU MD1 1 138 ALA CB 3.330 . 5.160 3.768 3.617 4.009 . 0 0 "[ . 1 . 2]" 1
18 1 95 LEU MD1 1 119 ILE CD1 3.530 . 5.560 4.961 4.783 5.099 . 0 0 "[ . 1 . 2]" 1
19 1 95 LEU MD1 1 115 MET CE 3.040 . 4.580 2.664 2.545 2.863 . 0 0 "[ . 1 . 2]" 1
20 1 95 LEU MD1 1 143 VAL CG2 3.250 . 5.000 4.107 3.957 4.310 . 0 0 "[ . 1 . 2]" 1
21 1 95 LEU MD2 1 138 ALA CB 3.440 . 5.380 5.115 4.992 5.195 . 0 0 "[ . 1 . 2]" 1
22 1 95 LEU MD2 1 115 MET CE 3.040 . 4.580 3.618 3.463 3.981 . 0 0 "[ . 1 . 2]" 1
23 1 95 LEU MD2 1 143 VAL CG2 3.040 . 4.580 2.403 2.355 2.459 . 0 0 "[ . 1 . 2]" 1
24 1 95 LEU MD1 1 99 LEU CD1 3.050 . 4.600 2.575 2.520 2.627 . 0 0 "[ . 1 . 2]" 1
25 1 95 LEU MD1 1 204 ILE CD1 3.200 . 4.900 3.289 3.201 3.455 . 0 0 "[ . 1 . 2]" 1
26 1 95 LEU MD1 1 200 LEU CD1 3.390 . 5.280 4.457 4.290 4.795 . 0 0 "[ . 1 . 2]" 1
27 1 95 LEU MD1 1 112 LEU CD2 3.500 . 5.500 5.170 5.001 5.307 . 0 0 "[ . 1 . 2]" 1
28 1 95 LEU MD1 1 99 LEU CD2 2.740 . 3.980 2.876 2.829 2.928 . 0 0 "[ . 1 . 2]" 1
29 1 16 MET ME 1 42 VAL CG1 3.320 . 5.130 3.475 3.187 3.660 . 0 0 "[ . 1 . 2]" 1
30 1 16 MET ME 1 42 VAL CG2 3.370 . 5.240 2.545 2.386 2.761 . 0 0 "[ . 1 . 2]" 1
31 1 16 MET ME 1 86 ILE CD1 3.620 . 5.740 5.113 4.322 5.268 . 0 0 "[ . 1 . 2]" 1
32 1 132 ILE CD1 1 190 ILE MD 3.560 . 5.620 3.999 2.840 5.408 . 0 0 "[ . 1 . 2]" 1
33 1 14 ILE MD 1 16 MET CE 3.620 . 5.740 4.768 3.080 5.259 . 0 0 "[ . 1 . 2]" 1
34 1 240 VAL MG2 1 268 MET CE 2.590 . 3.680 3.289 3.006 3.517 . 0 0 "[ . 1 . 2]" 1
35 1 16 MET CE 1 86 ILE MD 3.560 . 5.620 5.203 4.384 5.334 . 0 0 "[ . 1 . 2]" 1
36 1 119 ILE MD 1 204 ILE CD1 3.230 . 4.960 2.886 2.803 3.014 . 0 0 "[ . 1 . 2]" 1
37 1 116 ALA CB 1 119 ILE MD 3.700 . 5.900 4.086 3.844 4.294 . 0 0 "[ . 1 . 2]" 1
38 1 119 ILE MD 1 200 LEU CD1 2.940 . 4.380 3.631 3.247 3.936 . 0 0 "[ . 1 . 2]" 1
39 1 119 ILE MD 1 200 LEU CD2 3.050 . 4.600 2.922 2.764 3.096 . 0 0 "[ . 1 . 2]" 1
40 1 95 LEU CD1 1 119 ILE MD 3.340 . 5.180 4.604 4.421 4.732 . 0 0 "[ . 1 . 2]" 1
41 1 95 LEU CD2 1 119 ILE MD 3.300 . 5.100 3.955 3.778 4.220 . 0 0 "[ . 1 . 2]" 1
42 1 119 ILE MD 1 138 ALA CB 4.000 . 6.500 5.965 5.833 6.165 . 0 0 "[ . 1 . 2]" 1
43 1 119 ILE MD 1 136 LEU CD1 3.780 . 6.060 4.993 4.692 5.402 . 0 0 "[ . 1 . 2]" 1
44 1 119 ILE MD 1 143 VAL CG2 4.020 . 6.540 6.316 6.243 6.371 . 0 0 "[ . 1 . 2]" 1
45 1 123 MET CE 1 136 LEU MD1 2.890 . 4.290 3.435 2.822 3.951 . 0 0 "[ . 1 . 2]" 1
46 1 136 LEU MD1 1 196 ALA CB 4.140 . 6.780 5.825 5.642 5.974 . 0 0 "[ . 1 . 2]" 1
47 1 122 ALA CB 1 136 LEU MD1 3.970 . 6.440 6.017 5.703 6.264 . 0 0 "[ . 1 . 2]" 1
48 1 119 ILE CD1 1 136 LEU MD1 3.610 . 5.720 4.913 4.616 5.298 . 0 0 "[ . 1 . 2]" 1
49 1 132 ILE MD 1 190 ILE CD1 3.290 . 5.080 3.854 2.925 4.913 . 0 0 "[ . 1 . 2]" 1
50 1 123 MET CE 1 132 ILE MD 3.720 . 5.940 5.174 2.904 5.733 . 0 0 "[ . 1 . 2]" 1
51 1 123 MET ME 1 132 ILE CD1 3.800 . 6.100 5.279 2.854 5.813 . 0 0 "[ . 1 . 2]" 1
52 1 190 ILE MD 1 194 VAL CG2 3.360 . 5.220 3.334 2.622 3.788 . 0 0 "[ . 1 . 2]" 1
53 1 190 ILE MD 1 194 VAL CG1 3.710 . 5.920 5.345 4.608 5.734 . 0 0 "[ . 1 . 2]" 1
54 1 175 ILE MD 1 183 LEU CD1 2.770 . 4.040 2.946 2.671 3.395 . 0 0 "[ . 1 . 2]" 1
55 1 175 ILE MD 1 217 LEU CD1 3.030 . 4.560 2.967 2.558 4.089 . 0 0 "[ . 1 . 2]" 1
56 1 175 ILE MD 1 217 LEU CD2 2.830 . 4.160 3.608 3.023 4.160 . 0 0 "[ . 1 . 2]" 1
57 1 175 ILE MD 1 220 VAL CG1 2.930 . 4.360 4.027 3.527 4.264 . 0 0 "[ . 1 . 2]" 1
58 1 175 ILE MD 1 220 VAL CG2 3.560 . 5.620 5.151 4.592 5.413 . 0 0 "[ . 1 . 2]" 1
59 1 119 ILE CD1 1 204 ILE MD 3.170 . 4.840 2.834 2.744 2.980 . 0 0 "[ . 1 . 2]" 1
60 1 115 MET CE 1 204 ILE MD 3.520 . 5.540 3.680 3.387 4.104 . 0 0 "[ . 1 . 2]" 1
61 1 116 ALA CB 1 204 ILE MD 3.640 . 5.780 3.566 3.447 3.655 . 0 0 "[ . 1 . 2]" 1
62 1 243 LEU MD1 1 244 MET CE 3.980 . 6.460 6.336 6.228 6.415 . 0 0 "[ . 1 . 2]" 1
63 1 99 LEU CD1 1 204 ILE MD 3.380 . 5.260 5.155 5.131 5.197 . 0 0 "[ . 1 . 2]" 1
64 1 200 LEU CD1 1 204 ILE MD 2.860 . 4.220 3.223 3.005 3.534 . 0 0 "[ . 1 . 2]" 1
65 1 149 VAL CG1 1 204 ILE MD 3.500 . 5.500 4.581 4.360 4.808 . 0 0 "[ . 1 . 2]" 1
66 1 149 VAL CG2 1 204 ILE MD 3.630 . 5.760 4.749 4.223 5.037 . 0 0 "[ . 1 . 2]" 1
67 1 99 LEU MD2 1 115 MET CE 2.930 . 4.360 2.642 2.520 2.851 . 0 0 "[ . 1 . 2]" 1
68 1 138 ALA CB 1 204 ILE MD 3.620 . 5.740 5.203 4.960 5.480 . 0 0 "[ . 1 . 2]" 1
69 1 112 LEU CD2 1 204 ILE MD 3.550 . 5.600 4.933 4.797 5.087 . 0 0 "[ . 1 . 2]" 1
70 1 215 ILE MD 1 223 LEU CD1 2.660 . 3.820 3.360 3.104 3.557 . 0 0 "[ . 1 . 2]" 1
71 1 215 ILE MD 1 223 LEU CD2 2.550 . 3.600 2.887 2.748 3.150 . 0 0 "[ . 1 . 2]" 1
72 1 215 ILE MD 1 220 VAL CG1 3.100 . 4.700 4.378 4.198 4.481 . 0 0 "[ . 1 . 2]" 1
73 1 215 ILE MD 1 220 VAL CG2 3.060 . 4.620 2.730 2.609 2.800 . 0 0 "[ . 1 . 2]" 1
74 1 215 ILE MD 1 224 LEU CD2 3.910 . 6.320 5.493 4.981 5.828 . 0 0 "[ . 1 . 2]" 1
75 1 243 LEU CD1 1 261 ILE MD 3.080 . 4.660 3.826 3.388 4.147 . 0 0 "[ . 1 . 2]" 1
76 1 194 VAL CG2 1 261 ILE MD 3.090 . 4.680 3.565 3.053 3.867 . 0 0 "[ . 1 . 2]" 1
77 1 194 VAL CG1 1 261 ILE MD 2.680 . 3.870 2.567 2.435 2.718 . 0 0 "[ . 1 . 2]" 1
78 1 9 MET ME 1 40 VAL CG2 4.110 . 6.720 6.131 5.460 6.527 . 0 0 "[ . 1 . 2]" 1
79 1 9 MET ME 1 86 ILE CD1 3.360 . 5.220 3.309 2.783 3.676 . 0 0 "[ . 1 . 2]" 1
80 1 9 MET ME 1 40 VAL CG1 3.910 . 6.320 5.731 5.308 6.036 . 0 0 "[ . 1 . 2]" 1
81 1 9 MET ME 1 74 LEU CD1 3.690 . 5.880 5.146 4.635 5.579 . 0 0 "[ . 1 . 2]" 1
82 1 9 MET ME 1 14 ILE CD1 3.570 . 5.640 4.330 2.836 5.337 . 0 0 "[ . 1 . 2]" 1
83 1 16 MET ME 1 40 VAL CG1 4.140 . 6.780 6.141 5.876 6.355 . 0 0 "[ . 1 . 2]" 1
84 1 71 VAL CG1 1 90 MET ME 2.980 . 4.460 3.101 2.777 3.339 . 0 0 "[ . 1 . 2]" 1
85 1 115 MET ME 1 204 ILE CD1 3.490 . 5.480 3.684 3.275 4.518 . 0 0 "[ . 1 . 2]" 1
86 1 99 LEU CD1 1 115 MET ME 3.150 . 4.800 4.111 3.974 4.344 . 0 0 "[ . 1 . 2]" 1
87 1 112 LEU CD2 1 115 MET ME 2.820 . 4.140 3.221 2.752 3.389 . 0 0 "[ . 1 . 2]" 1
88 1 95 LEU CD1 1 115 MET ME 2.990 . 4.480 2.870 2.753 3.160 . 0 0 "[ . 1 . 2]" 1
89 1 95 LEU CD2 1 115 MET ME 3.050 . 4.600 3.541 3.343 3.847 . 0 0 "[ . 1 . 2]" 1
90 1 115 MET ME 1 149 VAL CG2 2.520 . 3.540 3.232 3.094 3.474 . 0 0 "[ . 1 . 2]" 1
91 1 115 MET ME 1 143 VAL CG2 3.100 . 4.700 4.211 4.074 4.417 . 0 0 "[ . 1 . 2]" 1
92 1 115 MET ME 1 119 ILE CD1 3.720 . 5.940 5.391 5.258 5.670 . 0 0 "[ . 1 . 2]" 1
93 1 122 ALA CB 1 123 MET ME 3.820 . 6.140 5.630 4.686 5.992 . 0 0 "[ . 1 . 2]" 1
94 1 123 MET ME 1 196 ALA CB 4.080 . 6.660 6.293 5.845 6.486 . 0 0 "[ . 1 . 2]" 1
95 1 123 MET ME 1 136 LEU CD2 2.890 . 4.280 2.926 2.642 3.634 . 0 0 "[ . 1 . 2]" 1
96 1 123 MET ME 1 151 VAL CG1 3.080 . 4.660 4.150 2.899 4.565 . 0 0 "[ . 1 . 2]" 1
97 1 123 MET ME 1 126 LEU CD1 2.940 . 4.380 4.027 3.091 4.371 . 0 0 "[ . 1 . 2]" 1
98 1 123 MET ME 1 126 LEU CD2 3.200 . 4.900 3.819 3.301 4.810 . 0 0 "[ . 1 . 2]" 1
99 1 123 MET ME 1 136 LEU CD1 3.090 . 4.680 3.698 2.958 4.349 . 0 0 "[ . 1 . 2]" 1
100 1 206 THR CG2 1 209 MET ME 2.910 . 4.320 3.057 2.707 3.753 . 0 0 "[ . 1 . 2]" 1
101 1 205 ALA CB 1 244 MET ME 3.000 . 4.500 3.311 2.739 3.744 . 0 0 "[ . 1 . 2]" 1
102 1 240 VAL CG1 1 244 MET ME 2.650 . 3.800 2.799 2.518 3.196 . 0 0 "[ . 1 . 2]" 1
103 1 201 LEU CD1 1 244 MET ME 2.980 . 4.460 4.069 3.859 4.182 . 0 0 "[ . 1 . 2]" 1
104 1 243 LEU CD1 1 244 MET ME 3.960 . 6.420 6.024 5.873 6.115 . 0 0 "[ . 1 . 2]" 1
105 1 264 ALA CB 1 268 MET ME 2.750 . 4.000 3.014 2.794 3.179 . 0 0 "[ . 1 . 2]" 1
106 1 243 LEU CD2 1 268 MET ME 2.330 . 3.160 2.425 2.386 2.463 . 0 0 "[ . 1 . 2]" 1
107 1 240 VAL CG2 1 268 MET ME 2.730 . 3.960 3.584 3.329 3.742 . 0 0 "[ . 1 . 2]" 1
108 1 267 THR MG 1 268 MET CE 3.280 . 5.060 4.696 4.453 4.864 . 0 0 "[ . 1 . 2]" 1
109 1 267 THR CG2 1 268 MET ME 3.620 . 5.740 4.811 4.592 4.972 . 0 0 "[ . 1 . 2]" 1
110 1 243 LEU CD1 1 268 MET ME 3.170 . 4.840 4.235 4.150 4.305 . 0 0 "[ . 1 . 2]" 1
111 1 109 ALA MB 1 112 LEU CD1 3.720 . 5.940 4.840 4.515 5.063 . 0 0 "[ . 1 . 2]" 1
112 1 109 ALA MB 1 113 LEU CD1 3.720 . 5.940 5.115 4.898 5.244 . 0 0 "[ . 1 . 2]" 1
113 1 109 ALA MB 1 113 LEU CD2 3.390 . 5.280 3.782 3.629 4.035 . 0 0 "[ . 1 . 2]" 1
114 1 116 ALA MB 1 201 LEU CD2 3.480 . 5.460 2.686 2.598 2.753 . 0 0 "[ . 1 . 2]" 1
115 1 116 ALA MB 1 240 VAL CG1 3.820 . 6.140 4.967 4.506 5.255 . 0 0 "[ . 1 . 2]" 1
116 1 116 ALA MB 1 201 LEU CD1 3.430 . 5.360 4.364 4.189 4.456 . 0 0 "[ . 1 . 2]" 1
117 1 113 LEU CD2 1 116 ALA MB 3.820 . 6.140 6.029 5.940 6.098 . 0 0 "[ . 1 . 2]" 1
118 1 113 LEU CD1 1 116 ALA MB 3.620 . 5.740 4.483 4.338 4.582 . 0 0 "[ . 1 . 2]" 1
119 1 116 ALA MB 1 200 LEU CD1 4.250 . 7.000 6.450 6.207 6.784 . 0 0 "[ . 1 . 2]" 1
120 1 122 ALA MB 1 123 MET CE 3.770 . 6.040 5.357 4.790 5.657 . 0 0 "[ . 1 . 2]" 1
121 1 122 ALA MB 1 151 VAL CG1 3.150 . 4.800 4.498 4.393 4.593 . 0 0 "[ . 1 . 2]" 1
122 1 122 ALA MB 1 126 LEU CD2 3.420 . 5.340 4.928 3.123 5.185 . 0 0 "[ . 1 . 2]" 1
123 1 122 ALA MB 1 136 LEU CD1 4.010 . 6.520 6.012 5.694 6.257 . 0 0 "[ . 1 . 2]" 1
124 1 70 LEU CD1 1 122 ALA MB 3.230 . 4.960 3.280 3.084 3.444 . 0 0 "[ . 1 . 2]" 1
125 1 122 ALA MB 1 126 LEU CD1 3.390 . 5.280 3.774 3.297 5.093 . 0 0 "[ . 1 . 2]" 1
126 1 70 LEU CD2 1 122 ALA MB 3.260 . 5.020 2.389 2.350 2.459 . 0 0 "[ . 1 . 2]" 1
127 1 138 ALA MB 1 204 ILE CD1 3.810 . 6.120 4.954 4.692 5.269 . 0 0 "[ . 1 . 2]" 1
128 1 119 ILE CD1 1 138 ALA MB 4.140 . 6.780 6.257 6.091 6.509 . 0 0 "[ . 1 . 2]" 1
129 1 96 LEU CD1 1 138 ALA MB 3.080 . 4.660 3.148 2.603 3.491 . 0 0 "[ . 1 . 2]" 1
130 1 95 LEU CD1 1 138 ALA MB 3.420 . 5.340 3.605 3.489 3.823 . 0 0 "[ . 1 . 2]" 1
131 1 99 LEU CD1 1 138 ALA MB 3.470 . 5.440 3.975 3.850 4.081 . 0 0 "[ . 1 . 2]" 1
132 1 99 LEU CD2 1 138 ALA MB 3.940 . 6.380 5.724 5.603 5.799 . 0 0 "[ . 1 . 2]" 1
133 1 138 ALA MB 1 200 LEU CD1 3.300 . 5.100 2.959 2.717 3.129 . 0 0 "[ . 1 . 2]" 1
134 1 138 ALA MB 1 200 LEU CD2 3.590 . 5.680 5.075 4.790 5.226 . 0 0 "[ . 1 . 2]" 1
135 1 71 VAL CG1 1 152 ALA MB 3.220 . 4.940 3.110 2.949 3.232 . 0 0 "[ . 1 . 2]" 1
136 1 90 MET CE 1 152 ALA MB 3.660 . 5.820 4.953 4.651 5.074 . 0 0 "[ . 1 . 2]" 1
137 1 179 ALA MB 1 224 LEU CD1 4.040 . 6.580 5.534 4.736 6.178 . 0 0 "[ . 1 . 2]" 1
138 1 123 MET CE 1 196 ALA MB 3.990 . 6.480 6.259 5.818 6.417 . 0 0 "[ . 1 . 2]" 1
139 1 194 VAL CG1 1 196 ALA MB 4.260 . 7.020 6.699 6.552 6.825 . 0 0 "[ . 1 . 2]" 1
140 1 196 ALA MB 1 199 VAL CG2 3.690 . 5.880 5.080 4.751 5.262 . 0 0 "[ . 1 . 2]" 1
141 1 136 LEU CD1 1 196 ALA MB 3.690 . 5.880 5.248 5.064 5.386 . 0 0 "[ . 1 . 2]" 1
142 1 136 LEU CD2 1 196 ALA MB 3.250 . 5.000 3.885 3.465 4.061 . 0 0 "[ . 1 . 2]" 1
143 1 205 ALA MB 1 244 MET CE 2.910 . 4.320 3.407 2.813 3.866 . 0 0 "[ . 1 . 2]" 1
144 1 205 ALA MB 1 240 VAL CG2 3.490 . 5.480 5.038 4.523 5.282 . 0 0 "[ . 1 . 2]" 1
145 1 205 ALA MB 1 240 VAL CG1 3.520 . 5.540 4.085 3.571 4.524 . 0 0 "[ . 1 . 2]" 1
146 1 112 LEU CD1 1 205 ALA MB 3.450 . 5.400 4.235 3.944 4.566 . 0 0 "[ . 1 . 2]" 1
147 1 112 LEU CD2 1 205 ALA MB 3.960 . 6.420 5.839 5.614 6.104 . 0 0 "[ . 1 . 2]" 1
148 1 246 ALA MB 1 261 ILE CD1 3.830 . 6.160 5.784 5.032 6.053 . 0 0 "[ . 1 . 2]" 1
149 1 243 LEU CD1 1 246 ALA MB 3.270 . 5.040 4.295 3.874 4.470 . 0 0 "[ . 1 . 2]" 1
150 1 264 ALA MB 1 268 MET CE 2.850 . 4.200 3.131 2.896 3.296 . 0 0 "[ . 1 . 2]" 1
151 1 243 LEU CD1 1 264 ALA MB 2.830 . 4.160 3.545 3.399 3.692 . 0 0 "[ . 1 . 2]" 1
152 1 243 LEU CD2 1 264 ALA MB 2.720 . 3.940 3.480 3.343 3.547 . 0 0 "[ . 1 . 2]" 1
153 1 15 THR MG 1 32 VAL CG2 2.960 . 4.420 3.598 2.872 4.479 0.059 12 0 "[ . 1 . 2]" 1
154 1 175 ILE CD1 1 178 THR MG 3.780 . 6.060 5.092 3.819 5.578 . 0 0 "[ . 1 . 2]" 1
155 1 206 THR MG 1 209 MET CE 2.770 . 4.040 3.162 2.768 3.882 . 0 0 "[ . 1 . 2]" 1
156 1 20 LEU CD2 1 41 ALA MB 3.510 . 5.520 4.851 4.706 4.967 . 0 0 "[ . 1 . 2]" 1
157 1 20 LEU CD1 1 41 ALA MB 3.420 . 5.340 2.911 2.761 3.063 . 0 0 "[ . 1 . 2]" 1
158 1 40 VAL CG1 1 74 LEU MD1 2.890 . 4.290 2.577 2.521 2.617 . 0 0 "[ . 1 . 2]" 1
159 1 38 LEU MD1 1 74 LEU CD1 2.970 . 4.440 3.348 2.854 3.869 . 0 0 "[ . 1 . 2]" 1
160 1 70 LEU MD1 1 122 ALA CB 3.430 . 5.360 3.405 3.090 3.678 . 0 0 "[ . 1 . 2]" 1
161 1 70 LEU MD1 1 126 LEU CD1 3.040 . 4.580 2.849 2.442 4.313 . 0 0 "[ . 1 . 2]" 1
162 1 70 LEU MD2 1 122 ALA CB 3.340 . 5.180 2.663 2.491 2.736 . 0 0 "[ . 1 . 2]" 1
163 1 70 LEU MD2 1 126 LEU CD1 3.090 . 4.680 2.988 2.698 4.298 . 0 0 "[ . 1 . 2]" 1
164 1 70 LEU MD2 1 126 LEU CD2 3.260 . 5.020 3.690 3.042 4.255 . 0 0 "[ . 1 . 2]" 1
165 1 70 LEU MD2 1 151 VAL CG1 3.270 . 5.040 3.525 3.434 3.597 . 0 0 "[ . 1 . 2]" 1
166 1 9 MET CE 1 74 LEU MD1 3.630 . 5.760 5.312 4.919 5.604 . 0 0 "[ . 1 . 2]" 1
167 1 95 LEU MD2 1 143 VAL CG1 3.320 . 5.130 4.349 4.254 4.457 . 0 0 "[ . 1 . 2]" 1
168 1 95 LEU MD2 1 149 VAL CG1 2.680 . 3.870 2.561 2.531 2.645 . 0 0 "[ . 1 . 2]" 1
169 1 95 LEU MD2 1 200 LEU CD1 3.690 . 5.880 5.216 4.883 5.565 . 0 0 "[ . 1 . 2]" 1
170 1 95 LEU MD2 1 99 LEU CD1 3.450 . 5.400 5.090 5.045 5.121 . 0 0 "[ . 1 . 2]" 1
171 1 95 LEU MD2 1 204 ILE CD1 3.560 . 5.620 4.388 4.138 4.744 . 0 0 "[ . 1 . 2]" 1
172 1 96 LEU MD1 1 138 ALA CB 3.390 . 5.280 3.326 2.534 3.732 . 0 0 "[ . 1 . 2]" 1
173 1 96 LEU MD2 1 138 ALA CB 3.390 . 5.280 3.596 2.805 5.216 . 0 0 "[ . 1 . 2]" 1
174 1 113 LEU MD2 1 240 VAL CG2 3.370 . 5.240 4.688 4.488 4.866 . 0 0 "[ . 1 . 2]" 1
175 1 112 LEU CD2 1 113 LEU MD2 3.760 . 6.020 5.953 5.898 6.010 . 0 0 "[ . 1 . 2]" 1
176 1 113 LEU MD1 1 268 MET CE 2.890 . 4.280 3.768 3.261 3.936 . 0 0 "[ . 1 . 2]" 1
177 1 113 LEU MD1 1 116 ALA CB 3.240 . 4.980 4.582 4.420 4.689 . 0 0 "[ . 1 . 2]" 1
178 1 109 ALA CB 1 113 LEU MD2 3.260 . 5.020 3.687 3.553 3.898 . 0 0 "[ . 1 . 2]" 1
179 1 113 LEU MD1 1 240 VAL CG2 2.820 . 4.140 2.760 2.645 2.890 . 0 0 "[ . 1 . 2]" 1
180 1 113 LEU MD1 1 240 VAL CG1 3.180 . 4.860 4.282 4.029 4.526 . 0 0 "[ . 1 . 2]" 1
181 1 112 LEU CD1 1 113 LEU MD1 3.360 . 5.220 4.970 4.865 5.065 . 0 0 "[ . 1 . 2]" 1
182 1 99 LEU MD2 1 204 ILE CD1 3.570 . 5.640 4.995 4.767 5.107 . 0 0 "[ . 1 . 2]" 1
183 1 99 LEU MD2 1 143 VAL CG2 3.470 . 5.440 5.225 5.129 5.334 . 0 0 "[ . 1 . 2]" 1
184 1 99 LEU MD2 1 107 VAL CG2 2.820 . 4.140 3.123 3.022 3.221 . 0 0 "[ . 1 . 2]" 1
185 1 95 LEU CD1 1 99 LEU MD2 2.980 . 4.460 2.866 2.793 2.934 . 0 0 "[ . 1 . 2]" 1
186 1 99 LEU MD2 1 112 LEU CD1 3.580 . 5.660 5.145 4.971 5.340 . 0 0 "[ . 1 . 2]" 1
187 1 99 LEU MD2 1 112 LEU CD2 2.960 . 4.420 3.681 3.441 3.911 . 0 0 "[ . 1 . 2]" 1
188 1 95 LEU CD2 1 99 LEU MD2 3.240 . 4.980 4.583 4.471 4.725 . 0 0 "[ . 1 . 2]" 1
189 1 99 LEU MD1 1 138 ALA CB 3.640 . 5.780 3.993 3.855 4.103 . 0 0 "[ . 1 . 2]" 1
190 1 99 LEU MD1 1 115 MET CE 3.130 . 4.760 4.295 4.146 4.503 . 0 0 "[ . 1 . 2]" 1
191 1 96 LEU CD1 1 99 LEU MD1 3.640 . 5.780 5.484 4.545 5.731 . 0 0 "[ . 1 . 2]" 1
192 1 95 LEU CD1 1 99 LEU MD1 2.950 . 4.400 2.531 2.496 2.569 . 0 0 "[ . 1 . 2]" 1
193 1 112 LEU MD2 1 115 MET CE 2.970 . 4.440 2.965 2.895 3.027 . 0 0 "[ . 1 . 2]" 1
194 1 112 LEU MD2 1 205 ALA CB 3.860 . 6.220 5.615 5.384 5.857 . 0 0 "[ . 1 . 2]" 1
195 1 112 LEU MD2 1 204 ILE CD1 3.880 . 6.260 4.636 4.528 4.814 . 0 0 "[ . 1 . 2]" 1
196 1 99 LEU CD1 1 112 LEU MD2 3.430 . 5.360 4.878 4.651 4.985 . 0 0 "[ . 1 . 2]" 1
197 1 99 LEU CD2 1 112 LEU MD2 2.850 . 4.200 3.694 3.467 3.913 . 0 0 "[ . 1 . 2]" 1
198 1 95 LEU CD1 1 112 LEU MD2 3.610 . 5.720 5.186 5.016 5.309 . 0 0 "[ . 1 . 2]" 1
199 1 112 LEU MD1 1 205 ALA CB 3.690 . 5.880 3.775 3.543 4.104 . 0 0 "[ . 1 . 2]" 1
200 1 112 LEU MD1 1 240 VAL CG1 3.730 . 5.960 5.237 4.923 5.603 . 0 0 "[ . 1 . 2]" 1
201 1 112 LEU MD1 1 113 LEU CD2 3.680 . 5.860 5.615 5.516 5.648 . 0 0 "[ . 1 . 2]" 1
202 1 112 LEU MD1 1 204 ILE CD1 3.610 . 5.720 5.682 5.593 5.750 0.030 9 0 "[ . 1 . 2]" 1
203 1 123 MET CE 1 126 LEU MD1 2.920 . 4.340 3.791 2.574 4.145 . 0 0 "[ . 1 . 2]" 1
204 1 122 ALA CB 1 126 LEU MD1 3.490 . 5.480 3.738 3.318 5.507 0.027 11 0 "[ . 1 . 2]" 1
205 1 126 LEU MD1 1 151 VAL CG1 3.180 . 4.860 4.133 3.105 4.645 . 0 0 "[ . 1 . 2]" 1
206 1 70 LEU CD1 1 126 LEU MD1 3.070 . 4.640 2.849 2.441 4.582 . 0 0 "[ . 1 . 2]" 1
207 1 70 LEU CD2 1 126 LEU MD1 3.180 . 4.860 2.856 2.570 4.401 . 0 0 "[ . 1 . 2]" 1
208 1 123 MET CE 1 126 LEU MD2 3.750 . 6.000 3.547 2.920 5.134 . 0 0 "[ . 1 . 2]" 1
209 1 126 LEU MD2 1 151 VAL CG1 3.700 . 5.900 3.788 3.068 4.866 . 0 0 "[ . 1 . 2]" 1
210 1 70 LEU CD2 1 126 LEU MD2 3.890 . 6.280 3.733 2.964 4.245 . 0 0 "[ . 1 . 2]" 1
211 1 70 LEU CD1 1 126 LEU MD2 3.740 . 5.970 4.094 2.629 4.617 . 0 0 "[ . 1 . 2]" 1
212 1 70 LEU MD1 1 126 LEU CD2 3.320 . 5.140 3.902 2.637 4.359 . 0 0 "[ . 1 . 2]" 1
213 1 136 LEU MD1 1 151 VAL CG1 2.970 . 4.440 2.840 2.721 3.023 . 0 0 "[ . 1 . 2]" 1
214 1 123 MET CE 1 136 LEU MD2 2.960 . 4.420 2.776 2.546 3.348 . 0 0 "[ . 1 . 2]" 1
215 1 136 LEU MD2 1 196 ALA CB 3.630 . 5.760 3.887 3.390 4.101 . 0 0 "[ . 1 . 2]" 1
216 1 122 ALA CB 1 136 LEU MD2 4.220 . 6.940 6.731 6.397 6.957 0.017 7 0 "[ . 1 . 2]" 1
217 1 136 LEU MD2 1 151 VAL CG1 3.350 . 5.200 4.867 4.630 5.012 . 0 0 "[ . 1 . 2]" 1
218 1 200 LEU MD1 1 204 ILE CD1 2.770 . 4.040 3.263 3.025 3.613 . 0 0 "[ . 1 . 2]" 1
219 1 119 ILE CD1 1 200 LEU MD1 3.060 . 4.620 3.755 3.202 4.254 . 0 0 "[ . 1 . 2]" 1
220 1 138 ALA CB 1 200 LEU MD1 3.060 . 4.620 2.917 2.808 3.013 . 0 0 "[ . 1 . 2]" 1
221 1 200 LEU MD2 1 204 ILE CD1 3.320 . 5.140 4.355 4.148 4.602 . 0 0 "[ . 1 . 2]" 1
222 1 119 ILE CD1 1 200 LEU MD2 2.960 . 4.420 2.956 2.746 3.206 . 0 0 "[ . 1 . 2]" 1
223 1 138 ALA CB 1 200 LEU MD2 3.540 . 5.580 5.165 4.799 5.315 . 0 0 "[ . 1 . 2]" 1
224 1 136 LEU CD1 1 200 LEU MD2 2.700 . 3.900 2.932 2.805 3.069 . 0 0 "[ . 1 . 2]" 1
225 1 201 LEU MD2 1 204 ILE CD1 3.250 . 5.000 3.568 3.286 3.940 . 0 0 "[ . 1 . 2]" 1
226 1 201 LEU MD2 1 261 ILE CD1 4.330 . 7.160 6.084 5.853 6.248 . 0 0 "[ . 1 . 2]" 1
227 1 116 ALA CB 1 201 LEU MD2 3.090 . 4.680 2.801 2.716 2.907 . 0 0 "[ . 1 . 2]" 1
228 1 119 ILE CD1 1 201 LEU MD2 3.660 . 5.820 4.583 4.368 4.753 . 0 0 "[ . 1 . 2]" 1
229 1 201 LEU MD2 1 240 VAL CG1 3.390 . 5.280 4.204 3.811 4.391 . 0 0 "[ . 1 . 2]" 1
230 1 201 LEU MD2 1 243 LEU CD2 3.380 . 5.260 4.476 4.317 4.628 . 0 0 "[ . 1 . 2]" 1
231 1 201 LEU MD2 1 243 LEU CD1 3.550 . 5.600 5.266 5.071 5.390 . 0 0 "[ . 1 . 2]" 1
232 1 200 LEU CD1 1 201 LEU MD2 3.460 . 5.420 4.929 4.647 5.181 . 0 0 "[ . 1 . 2]" 1
233 1 201 LEU MD1 1 261 ILE CD1 3.720 . 5.940 4.630 4.334 4.884 . 0 0 "[ . 1 . 2]" 1
234 1 201 LEU MD1 1 244 MET CE 3.020 . 4.540 4.291 4.129 4.441 . 0 0 "[ . 1 . 2]" 1
235 1 116 ALA CB 1 201 LEU MD1 3.450 . 5.400 4.769 4.583 4.875 . 0 0 "[ . 1 . 2]" 1
236 1 201 LEU MD1 1 240 VAL CG1 2.940 . 4.380 3.541 3.261 3.821 . 0 0 "[ . 1 . 2]" 1
237 1 201 LEU MD1 1 243 LEU CD2 2.940 . 4.380 2.696 2.581 2.812 . 0 0 "[ . 1 . 2]" 1
238 1 201 LEU MD1 1 243 LEU CD1 2.690 . 3.880 3.115 2.978 3.329 . 0 0 "[ . 1 . 2]" 1
239 1 175 ILE CD1 1 217 LEU MD2 2.930 . 4.360 3.621 3.164 4.251 . 0 0 "[ . 1 . 2]" 1
240 1 217 LEU MD2 1 220 VAL CG2 3.390 . 5.280 3.728 3.294 4.204 . 0 0 "[ . 1 . 2]" 1
241 1 217 LEU MD1 1 220 VAL CG2 3.390 . 5.280 4.949 4.540 5.084 . 0 0 "[ . 1 . 2]" 1
242 1 175 ILE CD1 1 217 LEU MD1 2.930 . 4.360 3.001 2.693 4.155 . 0 0 "[ . 1 . 2]" 1
243 1 215 ILE CD1 1 223 LEU MD1 2.820 . 4.140 3.374 3.134 3.585 . 0 0 "[ . 1 . 2]" 1
244 1 220 VAL CG2 1 223 LEU MD1 3.030 . 4.560 3.558 3.445 3.769 . 0 0 "[ . 1 . 2]" 1
245 1 220 VAL CG1 1 223 LEU MD1 2.960 . 4.420 3.728 3.538 3.873 . 0 0 "[ . 1 . 2]" 1
246 1 223 LEU MD1 1 224 LEU CD2 3.250 . 5.000 2.937 2.672 3.229 . 0 0 "[ . 1 . 2]" 1
247 1 220 VAL CG2 1 223 LEU MD2 3.250 . 5.000 3.998 3.884 4.103 . 0 0 "[ . 1 . 2]" 1
248 1 215 ILE CD1 1 223 LEU MD2 2.630 . 3.760 2.738 2.577 2.944 . 0 0 "[ . 1 . 2]" 1
249 1 175 ILE CD1 1 224 LEU MD1 3.740 . 5.980 5.629 5.204 5.828 . 0 0 "[ . 1 . 2]" 1
250 1 220 VAL CG2 1 224 LEU MD1 3.120 . 4.740 4.579 4.522 4.635 . 0 0 "[ . 1 . 2]" 1
251 1 220 VAL CG1 1 224 LEU MD1 2.810 . 4.120 2.618 2.520 2.707 . 0 0 "[ . 1 . 2]" 1
252 1 223 LEU CD1 1 224 LEU MD1 3.480 . 5.460 4.438 4.220 4.719 . 0 0 "[ . 1 . 2]" 1
253 1 175 ILE CD1 1 183 LEU MD1 3.280 . 5.060 2.999 2.658 3.501 . 0 0 "[ . 1 . 2]" 1
254 1 183 LEU CD1 1 224 LEU MD1 3.140 . 4.780 3.570 3.052 4.069 . 0 0 "[ . 1 . 2]" 1
255 1 220 VAL CG1 1 224 LEU MD2 3.240 . 4.980 3.938 3.457 4.240 . 0 0 "[ . 1 . 2]" 1
256 1 243 LEU MD1 1 261 ILE CD1 3.060 . 4.620 3.635 3.211 3.927 . 0 0 "[ . 1 . 2]" 1
257 1 243 LEU MD1 1 264 ALA CB 2.990 . 4.480 3.478 3.247 3.668 . 0 0 "[ . 1 . 2]" 1
258 1 243 LEU MD2 1 268 MET CE 2.430 . 3.360 2.582 2.543 2.624 . 0 0 "[ . 1 . 2]" 1
259 1 201 LEU CD1 1 243 LEU MD2 2.840 . 4.180 2.693 2.585 2.882 . 0 0 "[ . 1 . 2]" 1
260 1 32 VAL MG1 1 40 VAL CG2 3.190 . 4.880 4.452 4.087 4.618 . 0 0 "[ . 1 . 2]" 1
261 1 32 VAL MG1 1 38 LEU CD1 3.360 . 5.220 5.074 4.973 5.138 . 0 0 "[ . 1 . 2]" 1
262 1 32 VAL MG1 1 40 VAL CG1 2.950 . 4.400 4.029 3.869 4.134 . 0 0 "[ . 1 . 2]" 1
263 1 32 VAL MG2 1 40 VAL CG2 3.620 . 5.740 5.315 5.195 5.419 . 0 0 "[ . 1 . 2]" 1
264 1 15 THR CG2 1 32 VAL MG2 2.960 . 4.420 3.318 2.722 4.015 . 0 0 "[ . 1 . 2]" 1
265 1 32 VAL MG1 1 38 LEU CD2 3.470 . 5.440 5.225 5.110 5.343 . 0 0 "[ . 1 . 2]" 1
266 1 16 MET CE 1 40 VAL MG2 3.090 . 4.680 4.102 3.812 4.301 . 0 0 "[ . 1 . 2]" 1
267 1 40 VAL MG2 1 74 LEU CD2 4.200 . 6.900 6.789 6.676 6.844 . 0 0 "[ . 1 . 2]" 1
268 1 40 VAL MG2 1 42 VAL CG1 3.630 . 5.760 5.001 4.814 5.123 . 0 0 "[ . 1 . 2]" 1
269 1 40 VAL MG2 1 42 VAL CG2 3.420 . 5.340 2.836 2.672 2.934 . 0 0 "[ . 1 . 2]" 1
270 1 32 VAL CG1 1 40 VAL MG2 3.290 . 5.080 4.248 3.874 4.409 . 0 0 "[ . 1 . 2]" 1
271 1 32 VAL CG2 1 40 VAL MG2 3.490 . 5.480 4.859 4.760 5.006 . 0 0 "[ . 1 . 2]" 1
272 1 32 VAL CG1 1 40 VAL MG1 2.780 . 4.060 3.841 3.745 3.949 . 0 0 "[ . 1 . 2]" 1
273 1 40 VAL MG1 1 86 ILE CD1 3.370 . 5.240 2.792 2.749 2.847 . 0 0 "[ . 1 . 2]" 1
274 1 32 VAL CG2 1 40 VAL MG1 3.710 . 5.920 5.346 5.139 5.519 . 0 0 "[ . 1 . 2]" 1
275 1 40 VAL MG1 1 74 LEU CD1 2.840 . 4.180 2.586 2.523 2.658 . 0 0 "[ . 1 . 2]" 1
276 1 42 VAL MG2 1 86 ILE CD1 3.650 . 5.800 3.389 3.175 3.549 . 0 0 "[ . 1 . 2]" 1
277 1 16 MET CE 1 42 VAL MG2 3.380 . 5.260 2.596 2.396 2.673 . 0 0 "[ . 1 . 2]" 1
278 1 40 VAL CG2 1 42 VAL MG2 3.260 . 5.020 2.898 2.788 3.004 . 0 0 "[ . 1 . 2]" 1
279 1 40 VAL CG1 1 42 VAL MG2 3.600 . 5.700 4.741 4.600 4.854 . 0 0 "[ . 1 . 2]" 1
280 1 40 VAL CG2 1 42 VAL MG1 3.790 . 6.080 5.493 5.262 5.620 . 0 0 "[ . 1 . 2]" 1
281 1 16 MET CE 1 42 VAL MG1 3.630 . 5.760 3.704 3.091 3.899 . 0 0 "[ . 1 . 2]" 1
282 1 107 VAL MG2 1 115 MET CE 2.770 . 4.040 3.735 3.603 3.856 . 0 0 "[ . 1 . 2]" 1
283 1 107 VAL MG2 1 112 LEU CD2 3.190 . 4.880 4.557 4.446 4.662 . 0 0 "[ . 1 . 2]" 1
284 1 99 LEU CD1 1 107 VAL MG2 3.740 . 5.970 5.380 5.257 5.472 . 0 0 "[ . 1 . 2]" 1
285 1 95 LEU CD1 1 107 VAL MG2 3.600 . 5.700 5.524 5.454 5.610 . 0 0 "[ . 1 . 2]" 1
286 1 107 VAL MG2 1 143 VAL CG2 3.670 . 5.840 5.544 5.423 5.684 . 0 0 "[ . 1 . 2]" 1
287 1 107 VAL MG1 1 115 MET CE 2.710 . 3.920 3.065 2.963 3.157 . 0 0 "[ . 1 . 2]" 1
288 1 107 VAL MG1 1 112 LEU CD2 2.780 . 4.060 2.474 2.449 2.497 . 0 0 "[ . 1 . 2]" 1
289 1 107 VAL MG1 1 112 LEU CD1 2.970 . 4.440 4.188 4.106 4.241 . 0 0 "[ . 1 . 2]" 1
290 1 110 VAL MG1 1 111 VAL CG2 2.480 . 3.460 3.057 2.996 3.103 . 0 0 "[ . 1 . 2]" 1
291 1 111 VAL MG1 1 115 MET CE 2.950 . 4.400 3.709 3.348 3.897 . 0 0 "[ . 1 . 2]" 1
292 1 111 VAL MG1 1 112 LEU CD2 3.370 . 5.240 4.523 4.431 4.680 . 0 0 "[ . 1 . 2]" 1
293 1 107 VAL CG1 1 111 VAL MG1 2.910 . 4.320 2.926 2.862 3.008 . 0 0 "[ . 1 . 2]" 1
294 1 107 VAL CG2 1 111 VAL MG1 3.030 . 4.560 3.556 3.486 3.633 . 0 0 "[ . 1 . 2]" 1
295 1 115 MET CE 1 143 VAL MG1 3.430 . 5.360 4.977 4.780 5.096 . 0 0 "[ . 1 . 2]" 1
296 1 95 LEU CD2 1 143 VAL MG1 3.570 . 5.640 4.744 4.615 4.881 . 0 0 "[ . 1 . 2]" 1
297 1 143 VAL MG1 1 148 LEU CD2 3.620 . 5.740 5.756 5.614 5.840 0.100 4 0 "[ . 1 . 2]" 1
298 1 143 VAL MG1 1 149 VAL CG2 2.840 . 4.180 3.305 3.046 3.597 . 0 0 "[ . 1 . 2]" 1
299 1 119 ILE CD1 1 143 VAL MG2 4.030 . 6.560 6.281 6.189 6.347 . 0 0 "[ . 1 . 2]" 1
300 1 115 MET CE 1 143 VAL MG2 2.950 . 4.400 4.231 4.150 4.316 . 0 0 "[ . 1 . 2]" 1
301 1 143 VAL MG2 1 149 VAL CG1 3.010 . 4.520 3.774 3.660 3.850 . 0 0 "[ . 1 . 2]" 1
302 1 95 LEU CD2 1 143 VAL MG2 2.980 . 4.460 2.552 2.477 2.614 . 0 0 "[ . 1 . 2]" 1
303 1 95 LEU CD1 1 143 VAL MG2 3.200 . 4.900 3.896 3.789 4.048 . 0 0 "[ . 1 . 2]" 1
304 1 99 LEU CD1 1 143 VAL MG2 3.920 . 6.340 6.006 5.877 6.149 . 0 0 "[ . 1 . 2]" 1
305 1 119 ILE CD1 1 149 VAL MG2 3.110 . 4.720 4.217 3.922 4.406 . 0 0 "[ . 1 . 2]" 1
306 1 115 MET CE 1 149 VAL MG2 2.720 . 3.940 3.254 3.160 3.338 . 0 0 "[ . 1 . 2]" 1
307 1 149 VAL MG2 1 204 ILE CD1 3.360 . 5.220 4.687 4.122 4.968 . 0 0 "[ . 1 . 2]" 1
308 1 95 LEU CD1 1 149 VAL MG2 2.840 . 4.180 3.889 3.745 3.960 . 0 0 "[ . 1 . 2]" 1
309 1 95 LEU CD2 1 149 VAL MG2 2.790 . 4.080 2.621 2.553 2.800 . 0 0 "[ . 1 . 2]" 1
310 1 143 VAL CG1 1 149 VAL MG2 2.820 . 4.140 3.252 3.029 3.500 . 0 0 "[ . 1 . 2]" 1
311 1 143 VAL CG2 1 149 VAL MG2 2.780 . 4.060 2.625 2.500 2.695 . 0 0 "[ . 1 . 2]" 1
312 1 119 ILE CD1 1 149 VAL MG1 3.080 . 4.660 2.638 2.581 2.679 . 0 0 "[ . 1 . 2]" 1
313 1 143 VAL CG2 1 149 VAL MG1 3.240 . 4.980 4.077 3.969 4.158 . 0 0 "[ . 1 . 2]" 1
314 1 95 LEU CD2 1 149 VAL MG1 2.850 . 4.200 2.625 2.589 2.692 . 0 0 "[ . 1 . 2]" 1
315 1 149 VAL MG1 1 200 LEU CD2 3.530 . 5.550 5.274 5.143 5.353 . 0 0 "[ . 1 . 2]" 1
316 1 95 LEU CD1 1 149 VAL MG1 3.270 . 5.040 4.290 4.178 4.424 . 0 0 "[ . 1 . 2]" 1
317 1 149 VAL MG1 1 204 ILE CD1 3.490 . 5.480 4.538 4.379 4.784 . 0 0 "[ . 1 . 2]" 1
318 1 122 ALA CB 1 151 VAL MG2 3.220 . 4.940 2.706 2.582 2.870 . 0 0 "[ . 1 . 2]" 1
319 1 123 MET CE 1 151 VAL MG2 3.440 . 5.380 4.382 3.546 4.753 . 0 0 "[ . 1 . 2]" 1
320 1 70 LEU CD1 1 151 VAL MG2 3.230 . 4.960 4.602 4.491 4.678 . 0 0 "[ . 1 . 2]" 1
321 1 70 LEU CD2 1 151 VAL MG2 3.150 . 4.800 2.766 2.690 2.872 . 0 0 "[ . 1 . 2]" 1
322 1 126 LEU CD1 1 151 VAL MG2 3.120 . 4.740 4.123 3.383 4.718 . 0 0 "[ . 1 . 2]" 1
323 1 136 LEU CD1 1 151 VAL MG2 3.300 . 5.100 3.793 3.358 4.023 . 0 0 "[ . 1 . 2]" 1
324 1 149 VAL CG1 1 151 VAL MG2 3.470 . 5.440 4.943 4.866 5.057 . 0 0 "[ . 1 . 2]" 1
325 1 194 VAL MG2 1 261 ILE CD1 3.080 . 4.660 3.697 3.071 4.062 . 0 0 "[ . 1 . 2]" 1
326 1 194 VAL MG1 1 261 ILE CD1 2.670 . 3.840 2.548 2.397 2.645 . 0 0 "[ . 1 . 2]" 1
327 1 199 VAL MG1 1 230 MET CE 2.780 . 4.060 3.028 2.637 3.363 . 0 0 "[ . 1 . 2]" 1
328 1 199 VAL MG1 1 244 MET CE 4.740 . 7.980 7.206 6.928 7.575 . 0 0 "[ . 1 . 2]" 1
329 1 175 ILE CD1 1 220 VAL MG1 3.250 . 5.000 4.120 3.610 4.400 . 0 0 "[ . 1 . 2]" 1
330 1 215 ILE CD1 1 220 VAL MG1 3.450 . 5.400 4.751 4.528 4.868 . 0 0 "[ . 1 . 2]" 1
331 1 183 LEU CD1 1 220 VAL MG1 2.920 . 4.340 3.682 3.117 3.978 . 0 0 "[ . 1 . 2]" 1
332 1 217 LEU CD2 1 220 VAL MG1 3.380 . 5.260 4.560 4.024 5.035 . 0 0 "[ . 1 . 2]" 1
333 1 220 VAL MG1 1 224 LEU CD1 2.760 . 4.020 2.686 2.625 2.759 . 0 0 "[ . 1 . 2]" 1
334 1 220 VAL MG1 1 224 LEU CD2 2.880 . 4.260 3.582 3.155 3.820 . 0 0 "[ . 1 . 2]" 1
335 1 220 VAL MG1 1 223 LEU CD1 3.060 . 4.620 3.916 3.729 4.086 . 0 0 "[ . 1 . 2]" 1
336 1 220 VAL MG1 1 223 LEU CD2 3.690 . 5.880 5.265 5.178 5.334 . 0 0 "[ . 1 . 2]" 1
337 1 220 VAL MG2 1 223 LEU CD2 2.910 . 4.320 4.125 4.028 4.222 . 0 0 "[ . 1 . 2]" 1
338 1 220 VAL MG2 1 223 LEU CD1 2.680 . 3.860 3.763 3.665 3.941 0.081 11 0 "[ . 1 . 2]" 1
339 1 215 ILE CD1 1 220 VAL MG2 2.780 . 4.060 2.643 2.514 2.724 . 0 0 "[ . 1 . 2]" 1
340 1 240 VAL MG2 1 243 LEU CD2 3.090 . 4.680 4.250 3.962 4.401 . 0 0 "[ . 1 . 2]" 1
341 1 113 LEU CD2 1 240 VAL MG2 3.160 . 4.820 4.421 4.246 4.585 . 0 0 "[ . 1 . 2]" 1
342 1 240 VAL MG1 1 268 MET CE 3.230 . 4.960 4.180 3.839 4.498 . 0 0 "[ . 1 . 2]" 1
343 1 240 VAL MG1 1 244 MET CE 2.610 . 3.720 2.741 2.564 2.992 . 0 0 "[ . 1 . 2]" 1
344 1 205 ALA CB 1 240 VAL MG1 3.290 . 5.080 4.220 3.742 4.675 . 0 0 "[ . 1 . 2]" 1
345 1 205 ALA CB 1 240 VAL MG2 3.690 . 5.880 5.275 4.748 5.503 . 0 0 "[ . 1 . 2]" 1
346 1 201 LEU CD2 1 240 VAL MG1 3.330 . 5.160 4.072 3.723 4.239 . 0 0 "[ . 1 . 2]" 1
347 1 240 VAL MG1 1 243 LEU CD1 3.570 . 5.640 4.913 4.650 5.142 . 0 0 "[ . 1 . 2]" 1
348 1 240 VAL MG1 1 243 LEU CD2 2.770 . 4.040 3.091 2.795 3.318 . 0 0 "[ . 1 . 2]" 1
349 1 201 LEU CD1 1 240 VAL MG1 2.880 . 4.260 3.564 3.296 3.715 . 0 0 "[ . 1 . 2]" 1
350 1 278 VAL MG1 1 282 LEU CD2 2.820 . 4.140 3.381 2.643 4.110 . 0 0 "[ . 1 . 2]" 1
351 1 278 VAL MG1 1 282 LEU CD1 2.810 . 4.120 3.442 2.616 4.063 . 0 0 "[ . 1 . 2]" 1
352 1 278 VAL MG2 1 282 LEU CD2 2.820 . 4.140 3.215 2.688 3.958 . 0 0 "[ . 1 . 2]" 1
353 1 278 VAL MG2 1 282 LEU CD1 2.810 . 4.120 3.214 2.700 3.812 . 0 0 "[ . 1 . 2]" 1
354 1 178 THR MG 1 183 LEU CD1 3.580 . 5.660 4.106 3.717 4.333 . 0 0 "[ . 1 . 2]" 1
355 1 178 THR MG 1 183 LEU CD2 3.550 . 5.600 2.855 2.710 3.026 . 0 0 "[ . 1 . 2]" 1
356 1 175 ILE MD 1 224 LEU CD1 3.710 . 5.920 5.612 5.159 5.796 . 0 0 "[ . 1 . 2]" 1
357 1 169 ALA CB 1 175 ILE MD 3.970 . 6.440 5.202 4.218 6.405 . 0 0 "[ . 1 . 2]" 1
358 1 115 MET CE 1 119 ILE MD 3.480 . 5.460 5.184 5.096 5.248 . 0 0 "[ . 1 . 2]" 1
359 1 119 ILE MD 1 149 VAL CG1 2.950 . 4.400 2.672 2.622 2.740 . 0 0 "[ . 1 . 2]" 1
360 1 246 ALA CB 1 261 ILE MD 4.130 . 6.760 5.996 5.134 6.298 . 0 0 "[ . 1 . 2]" 1
361 1 261 ILE MD 1 264 ALA CB 4.450 . 7.400 6.273 5.958 6.641 . 0 0 "[ . 1 . 2]" 1
362 1 274 ILE MD 1 278 VAL CG1 2.640 . 3.780 3.195 2.593 3.622 . 0 0 "[ . 1 . 2]" 1
363 1 90 MET ME 1 142 LEU CD2 3.290 . 5.080 4.588 4.416 4.776 . 0 0 "[ . 1 . 2]" 1
364 1 107 VAL CG1 1 115 MET ME 2.770 . 4.040 3.348 3.051 3.506 . 0 0 "[ . 1 . 2]" 1
365 1 107 VAL CG2 1 115 MET ME 2.920 . 4.340 3.677 3.554 3.809 . 0 0 "[ . 1 . 2]" 1
366 1 99 LEU CD2 1 115 MET ME 2.510 . 3.520 2.709 2.592 2.838 . 0 0 "[ . 1 . 2]" 1
367 1 95 LEU CD2 1 138 ALA MB 3.430 . 5.360 4.658 4.577 4.765 . 0 0 "[ . 1 . 2]" 1
368 1 96 LEU CD2 1 138 ALA MB 3.550 . 5.600 3.548 2.822 4.608 . 0 0 "[ . 1 . 2]" 1
369 1 38 LEU CD2 1 74 LEU MD1 3.370 . 5.240 3.504 2.873 4.137 . 0 0 "[ . 1 . 2]" 1
370 1 95 LEU MD1 1 149 VAL CG2 2.810 . 4.120 4.129 3.891 4.227 0.107 3 0 "[ . 1 . 2]" 1
371 1 95 LEU MD2 1 149 VAL CG2 2.950 . 4.400 2.447 2.389 2.546 . 0 0 "[ . 1 . 2]" 1
372 1 99 LEU MD1 1 204 ILE CD1 3.360 . 5.220 4.509 4.472 4.542 . 0 0 "[ . 1 . 2]" 1
373 1 95 LEU CD2 1 99 LEU MD1 3.380 . 5.260 4.723 4.698 4.756 . 0 0 "[ . 1 . 2]" 1
374 1 111 VAL CG1 1 112 LEU MD2 3.150 . 4.800 4.244 4.164 4.401 . 0 0 "[ . 1 . 2]" 1
375 1 107 VAL CG1 1 112 LEU MD2 2.760 . 4.020 2.440 2.408 2.484 . 0 0 "[ . 1 . 2]" 1
376 1 112 LEU MD1 1 113 LEU CD1 3.440 . 5.380 5.215 5.116 5.310 . 0 0 "[ . 1 . 2]" 1
377 1 243 LEU MD2 1 264 ALA CB 2.710 . 3.920 3.421 3.228 3.512 . 0 0 "[ . 1 . 2]" 1
378 1 38 LEU CD1 1 40 VAL MG1 2.820 . 4.140 3.688 3.503 3.881 . 0 0 "[ . 1 . 2]" 1
379 1 107 VAL MG2 1 111 VAL CG1 2.560 . 3.620 3.631 3.550 3.710 0.090 20 0 "[ . 1 . 2]" 1
380 1 107 VAL MG1 1 111 VAL CG1 2.630 . 3.760 2.524 2.474 2.577 . 0 0 "[ . 1 . 2]" 1
381 1 107 VAL MG1 1 111 VAL CG2 2.780 . 4.060 3.217 3.133 3.265 . 0 0 "[ . 1 . 2]" 1
382 1 107 VAL CG1 1 111 VAL MG2 2.720 . 3.940 3.733 3.642 3.771 . 0 0 "[ . 1 . 2]" 1
383 1 143 VAL MG2 1 149 VAL CG2 2.620 . 3.740 2.682 2.610 2.734 . 0 0 "[ . 1 . 2]" 1
384 1 113 LEU CD1 1 240 VAL MG2 2.690 . 3.880 2.771 2.642 2.930 . 0 0 "[ . 1 . 2]" 1
385 1 113 LEU CD1 1 240 VAL MG1 3.440 . 5.380 4.514 4.192 4.840 . 0 0 "[ . 1 . 2]" 1
386 1 14 ILE MD 1 16 MET ME 3.470 . 5.440 3.807 2.293 4.359 . 0 0 "[ . 1 . 2]" 1
387 1 14 ILE MD 1 86 ILE MD 2.940 . 4.380 2.703 2.090 3.114 . 0 0 "[ . 1 . 2]" 1
388 1 74 LEU MD1 1 86 ILE MD 2.900 . 4.300 2.804 2.571 2.975 . 0 0 "[ . 1 . 2]" 1
389 1 40 VAL MG2 1 86 ILE MD 3.200 . 4.900 1.836 1.756 1.907 0.044 15 0 "[ . 1 . 2]" 1
390 1 9 MET ME 1 86 ILE MD 3.090 . 4.680 2.326 1.809 2.676 . 0 0 "[ . 1 . 2]" 1
391 1 95 LEU MD2 1 119 ILE MD 3.210 . 4.920 3.162 2.990 3.392 . 0 0 "[ . 1 . 2]" 1
392 1 119 ILE MD 1 138 ALA MB 3.720 . 5.940 4.995 4.860 5.206 . 0 0 "[ . 1 . 2]" 1
393 1 122 ALA MB 1 136 LEU MD1 3.410 . 5.320 4.787 4.521 4.992 . 0 0 "[ . 1 . 2]" 1
394 1 136 LEU MD1 1 196 ALA MB 3.510 . 5.520 4.667 4.515 4.791 . 0 0 "[ . 1 . 2]" 1
395 1 132 ILE MD 1 190 ILE MD 3.190 . 4.880 3.108 2.165 4.292 . 0 0 "[ . 1 . 2]" 1
396 1 119 ILE MD 1 204 ILE MD 2.940 . 4.380 2.166 2.064 2.299 . 0 0 "[ . 1 . 2]" 1
397 1 115 MET ME 1 204 ILE MD 3.620 . 5.740 2.928 2.564 3.726 . 0 0 "[ . 1 . 2]" 1
398 1 204 ILE MD 1 244 MET ME 4.130 . 6.760 5.714 5.356 6.120 . 0 0 "[ . 1 . 2]" 1
399 1 149 VAL MG2 1 204 ILE MD 2.760 . 4.020 3.693 3.210 3.964 . 0 0 "[ . 1 . 2]" 1
400 1 99 LEU MD1 1 204 ILE MD 3.070 . 4.640 4.017 3.998 4.052 . 0 0 "[ . 1 . 2]" 1
401 1 138 ALA MB 1 204 ILE MD 3.680 . 5.860 4.202 4.011 4.475 . 0 0 "[ . 1 . 2]" 1
402 1 204 ILE MD 1 205 ALA MB 3.780 . 6.060 5.497 5.349 5.635 . 0 0 "[ . 1 . 2]" 1
403 1 112 LEU MD1 1 204 ILE MD 3.410 . 5.320 4.786 4.712 4.851 . 0 0 "[ . 1 . 2]" 1
404 1 143 VAL MG2 1 204 ILE MD 3.710 . 5.920 5.289 5.044 5.564 . 0 0 "[ . 1 . 2]" 1
405 1 215 ILE MD 1 224 LEU MD1 3.680 . 5.860 5.146 4.873 5.408 . 0 0 "[ . 1 . 2]" 1
406 1 243 LEU MD2 1 261 ILE MD 3.490 . 5.480 4.575 4.279 4.728 . 0 0 "[ . 1 . 2]" 1
407 1 194 VAL MG2 1 261 ILE MD 2.870 . 4.240 2.833 2.332 3.153 . 0 0 "[ . 1 . 2]" 1
408 1 261 ILE MD 1 264 ALA MB 3.510 . 5.520 4.995 4.731 5.302 . 0 0 "[ . 1 . 2]" 1
409 1 201 LEU MD2 1 261 ILE MD 3.660 . 5.820 4.849 4.636 4.997 . 0 0 "[ . 1 . 2]" 1
410 1 201 LEU MD1 1 261 ILE MD 3.480 . 5.460 3.561 3.285 3.798 . 0 0 "[ . 1 . 2]" 1
411 1 9 MET ME 1 40 VAL MG2 3.600 . 5.700 4.924 4.292 5.311 . 0 0 "[ . 1 . 2]" 1
412 1 9 MET ME 1 74 LEU MD1 3.320 . 5.130 4.197 3.793 4.489 . 0 0 "[ . 1 . 2]" 1
413 1 9 MET ME 1 38 LEU MD1 4.100 . 6.700 5.709 4.976 6.342 . 0 0 "[ . 1 . 2]" 1
414 1 16 MET ME 1 32 VAL MG1 3.920 . 6.340 5.824 5.558 6.324 . 0 0 "[ . 1 . 2]" 1
415 1 16 MET ME 1 42 VAL MG2 3.200 . 4.900 1.858 1.735 1.930 0.065 18 0 "[ . 1 . 2]" 1
416 1 16 MET ME 1 40 VAL MG2 3.360 . 5.220 3.175 2.843 3.366 . 0 0 "[ . 1 . 2]" 1
417 1 90 MET ME 1 152 ALA MB 3.280 . 5.060 3.924 3.668 4.027 . 0 0 "[ . 1 . 2]" 1
418 1 115 MET ME 1 119 ILE MD 2.970 . 4.440 4.241 4.110 4.480 0.040 2 0 "[ . 1 . 2]" 1
419 1 115 MET ME 1 138 ALA MB 3.700 . 5.900 5.341 5.139 5.682 . 0 0 "[ . 1 . 2]" 1
420 1 112 LEU MD2 1 115 MET ME 2.750 . 4.000 2.456 2.054 2.621 . 0 0 "[ . 1 . 2]" 1
421 1 99 LEU MD2 1 115 MET ME 2.670 . 3.840 1.904 1.813 2.034 . 0 0 "[ . 1 . 2]" 1
422 1 99 LEU MD1 1 115 MET ME 2.720 . 3.940 3.348 3.190 3.615 . 0 0 "[ . 1 . 2]" 1
423 1 107 VAL MG1 1 115 MET ME 2.660 . 3.820 2.363 2.113 2.518 . 0 0 "[ . 1 . 2]" 1
424 1 115 MET ME 1 143 VAL MG2 2.960 . 4.420 3.258 3.149 3.433 . 0 0 "[ . 1 . 2]" 1
425 1 115 MET ME 1 143 VAL MG1 2.980 . 4.460 3.935 3.763 4.086 . 0 0 "[ . 1 . 2]" 1
426 1 123 MET ME 1 190 ILE MD 3.070 . 4.640 3.613 2.765 4.196 . 0 0 "[ . 1 . 2]" 1
427 1 123 MET ME 1 132 ILE MD 3.150 . 4.800 4.186 2.172 4.707 . 0 0 "[ . 1 . 2]" 1
428 1 122 ALA MB 1 123 MET ME 3.360 . 5.220 4.577 3.714 4.928 . 0 0 "[ . 1 . 2]" 1
429 1 123 MET ME 1 196 ALA MB 3.650 . 5.800 4.989 4.595 5.143 . 0 0 "[ . 1 . 2]" 1
430 1 123 MET ME 1 194 VAL MG2 3.950 . 6.390 5.065 4.439 5.675 . 0 0 "[ . 1 . 2]" 1
431 1 123 MET ME 1 136 LEU MD1 2.620 . 3.740 2.903 2.175 3.449 . 0 0 "[ . 1 . 2]" 1
432 1 70 LEU MD1 1 123 MET ME 3.830 . 6.160 5.552 5.123 5.868 . 0 0 "[ . 1 . 2]" 1
433 1 209 MET ME 1 230 MET ME 3.110 . 4.710 4.250 3.553 4.872 0.162 20 0 "[ . 1 . 2]" 1
434 1 206 THR MG 1 209 MET ME 2.630 . 3.760 2.147 1.821 2.835 . 0 0 "[ . 1 . 2]" 1
435 1 199 VAL MG1 1 209 MET ME 3.440 . 5.380 5.452 5.079 5.986 0.606 5 1 "[ + 1 . 2]" 1
436 1 199 VAL MG2 1 230 MET ME 2.450 . 3.400 2.916 2.378 3.249 . 0 0 "[ . 1 . 2]" 1
437 1 199 VAL MG1 1 230 MET ME 2.450 . 3.400 2.244 1.697 2.647 0.103 5 0 "[ . 1 . 2]" 1
438 1 230 MET ME 1 244 MET ME 3.590 . 5.680 5.350 4.766 5.672 . 0 0 "[ . 1 . 2]" 1
439 1 205 ALA MB 1 244 MET ME 2.730 . 3.960 2.514 1.997 2.902 . 0 0 "[ . 1 . 2]" 1
440 1 240 VAL MG1 1 244 MET ME 2.540 . 3.580 1.938 1.722 2.261 0.078 18 0 "[ . 1 . 2]" 1
441 1 243 LEU MD2 1 244 MET ME 3.140 . 4.780 4.123 3.973 4.280 . 0 0 "[ . 1 . 2]" 1
442 1 201 LEU MD1 1 244 MET ME 2.600 . 3.700 3.334 3.151 3.457 . 0 0 "[ . 1 . 2]" 1
443 1 201 LEU MD2 1 244 MET ME 3.150 . 4.800 4.230 3.831 4.485 . 0 0 "[ . 1 . 2]" 1
444 1 206 THR MG 1 244 MET ME 3.720 . 5.940 5.480 5.145 5.613 . 0 0 "[ . 1 . 2]" 1
445 1 199 VAL MG1 1 244 MET ME 3.880 . 6.260 5.979 5.709 6.154 . 0 0 "[ . 1 . 2]" 1
446 1 243 LEU MD2 1 268 MET ME 2.410 . 3.320 1.770 1.726 1.811 0.074 9 0 "[ . 1 . 2]" 1
447 1 240 VAL MG1 1 268 MET ME 2.700 . 3.900 3.209 2.915 3.471 . 0 0 "[ . 1 . 2]" 1
448 1 240 VAL MG2 1 268 MET ME 2.360 . 3.220 2.772 2.487 2.938 . 0 0 "[ . 1 . 2]" 1
449 1 267 THR MG 1 268 MET ME 2.790 . 4.080 3.809 3.590 3.939 . 0 0 "[ . 1 . 2]" 1
450 1 109 ALA MB 1 112 LEU MD2 3.770 . 6.040 5.166 4.927 5.294 . 0 0 "[ . 1 . 2]" 1
451 1 116 ALA MB 1 204 ILE MD 3.690 . 5.880 2.740 2.614 2.819 . 0 0 "[ . 1 . 2]" 1
452 1 116 ALA MB 1 268 MET ME 3.850 . 6.200 5.034 4.379 5.174 . 0 0 "[ . 1 . 2]" 1
453 1 116 ALA MB 1 240 VAL MG2 3.440 . 5.380 4.415 4.023 4.679 . 0 0 "[ . 1 . 2]" 1
454 1 116 ALA MB 1 201 LEU MD1 3.550 . 5.600 3.676 3.514 3.770 . 0 0 "[ . 1 . 2]" 1
455 1 116 ALA MB 1 243 LEU MD2 3.390 . 5.280 4.099 4.009 4.280 . 0 0 "[ . 1 . 2]" 1
456 1 122 ALA MB 1 149 VAL MG1 3.600 . 5.700 5.000 4.774 5.148 . 0 0 "[ . 1 . 2]" 1
457 1 136 LEU MD1 1 200 LEU MD1 3.040 . 4.580 4.073 3.855 4.219 . 0 0 "[ . 1 . 2]" 1
458 1 136 LEU MD1 1 200 LEU MD2 2.660 . 3.820 2.322 2.186 2.499 . 0 0 "[ . 1 . 2]" 1
459 1 122 ALA MB 1 151 VAL MG2 3.090 . 4.680 2.053 1.941 2.182 . 0 0 "[ . 1 . 2]" 1
460 1 122 ALA MB 1 126 LEU MD2 3.740 . 5.970 4.079 2.373 4.428 . 0 0 "[ . 1 . 2]" 1
461 1 70 LEU MD2 1 122 ALA MB 3.160 . 4.820 1.697 1.573 1.771 0.227 1 0 "[ . 1 . 2]" 1
462 1 122 ALA MB 1 126 LEU MD1 3.340 . 5.180 2.945 2.504 4.371 . 0 0 "[ . 1 . 2]" 1
463 1 70 LEU MD1 1 122 ALA MB 3.400 . 5.300 2.702 2.441 2.902 . 0 0 "[ . 1 . 2]" 1
464 1 122 ALA MB 1 200 LEU MD2 3.900 . 6.300 5.713 5.597 5.838 . 0 0 "[ . 1 . 2]" 1
465 1 95 LEU MD2 1 138 ALA MB 3.440 . 5.380 4.181 4.113 4.267 . 0 0 "[ . 1 . 2]" 1
466 1 138 ALA MB 1 200 LEU MD1 2.990 . 4.480 2.257 2.128 2.396 . 0 0 "[ . 1 . 2]" 1
467 1 179 ALA MB 1 224 LEU MD2 3.890 . 6.280 5.495 4.529 6.198 . 0 0 "[ . 1 . 2]" 1
468 1 196 ALA MB 1 199 VAL MG2 3.460 . 5.420 4.161 3.839 4.299 . 0 0 "[ . 1 . 2]" 1
469 1 196 ALA MB 1 200 LEU MD2 3.550 . 5.600 4.749 4.534 5.033 . 0 0 "[ . 1 . 2]" 1
470 1 136 LEU MD2 1 196 ALA MB 3.390 . 5.280 2.965 2.514 3.203 . 0 0 "[ . 1 . 2]" 1
471 1 201 LEU MD2 1 205 ALA MB 3.750 . 6.000 5.242 5.027 5.503 . 0 0 "[ . 1 . 2]" 1
472 1 112 LEU MD2 1 205 ALA MB 3.430 . 5.360 4.896 4.709 5.101 . 0 0 "[ . 1 . 2]" 1
473 1 246 ALA MB 1 261 ILE MD 3.380 . 5.260 4.802 4.085 5.065 . 0 0 "[ . 1 . 2]" 1
474 1 246 ALA MB 1 264 ALA MB 3.370 . 5.240 4.963 4.603 5.239 . 0 0 "[ . 1 . 2]" 1
475 1 194 VAL MG1 1 246 ALA MB 3.430 . 5.360 4.762 4.345 5.088 . 0 0 "[ . 1 . 2]" 1
476 1 201 LEU MD1 1 246 ALA MB 4.080 . 6.660 5.658 5.352 6.002 . 0 0 "[ . 1 . 2]" 1
477 1 243 LEU MD2 1 264 ALA MB 2.750 . 4.000 2.598 2.438 2.673 . 0 0 "[ . 1 . 2]" 1
478 1 113 LEU MD1 1 264 ALA MB 4.010 . 6.520 5.500 5.361 5.619 . 0 0 "[ . 1 . 2]" 1
479 1 201 LEU MD1 1 264 ALA MB 3.630 . 5.760 4.852 4.699 4.941 . 0 0 "[ . 1 . 2]" 1
480 1 166 THR MG 1 217 LEU MD2 3.240 . 4.980 2.296 1.900 2.771 . 0 0 "[ . 1 . 2]" 1
481 1 166 THR MG 1 220 VAL MG2 3.990 . 6.480 5.554 4.762 6.115 . 0 0 "[ . 1 . 2]" 1
482 1 166 THR MG 1 220 VAL MG1 4.120 . 6.740 5.868 4.920 6.477 . 0 0 "[ . 1 . 2]" 1
483 1 15 THR MG 1 32 VAL MG2 2.840 . 4.180 2.650 2.010 3.415 . 0 0 "[ . 1 . 2]" 1
484 1 205 ALA MB 1 206 THR MG 3.190 . 4.880 3.655 3.558 3.735 . 0 0 "[ . 1 . 2]" 1
485 1 206 THR MG 1 230 MET ME 4.000 . 6.500 5.050 4.349 5.699 . 0 0 "[ . 1 . 2]" 1
486 1 264 ALA MB 1 267 THR MG 3.200 . 4.900 3.889 3.471 4.450 . 0 0 "[ . 1 . 2]" 1
487 1 20 LEU MD1 1 41 ALA MB 3.320 . 5.140 2.203 2.090 2.315 . 0 0 "[ . 1 . 2]" 1
488 1 20 LEU MD2 1 41 ALA MB 3.320 . 5.140 4.144 4.024 4.244 . 0 0 "[ . 1 . 2]" 1
489 1 38 LEU MD1 1 74 LEU MD1 2.770 . 4.040 2.536 2.048 2.991 . 0 0 "[ . 1 . 2]" 1
490 1 38 LEU MD1 1 40 VAL MG1 2.630 . 3.760 2.840 2.630 3.057 . 0 0 "[ . 1 . 2]" 1
491 1 243 LEU MD1 1 264 ALA MB 2.530 . 3.560 2.676 2.512 2.836 . 0 0 "[ . 1 . 2]" 1
492 1 70 LEU MD1 1 151 VAL MG2 3.190 . 4.880 3.957 3.810 4.075 . 0 0 "[ . 1 . 2]" 1
493 1 70 LEU MD1 1 126 LEU MD2 3.560 . 5.620 3.228 1.934 3.717 . 0 0 "[ . 1 . 2]" 1
494 1 40 VAL MG2 1 74 LEU MD1 3.230 . 4.960 3.666 3.563 3.765 . 0 0 "[ . 1 . 2]" 1
495 1 95 LEU MD1 1 138 ALA MB 3.530 . 5.550 2.870 2.732 3.128 . 0 0 "[ . 1 . 2]" 1
496 1 95 LEU MD1 1 115 MET ME 3.240 . 4.980 2.000 1.868 2.331 . 0 0 "[ . 1 . 2]" 1
497 1 95 LEU MD1 1 204 ILE MD 3.070 . 4.640 2.787 2.704 2.917 . 0 0 "[ . 1 . 2]" 1
498 1 95 LEU MD1 1 99 LEU MD2 2.640 . 3.780 2.207 2.144 2.260 . 0 0 "[ . 1 . 2]" 1
499 1 95 LEU MD1 1 119 ILE MD 3.180 . 4.860 3.868 3.713 3.977 . 0 0 "[ . 1 . 2]" 1
500 1 95 LEU MD1 1 149 VAL MG1 3.330 . 5.160 3.709 3.558 3.829 . 0 0 "[ . 1 . 2]" 1
501 1 95 LEU MD1 1 143 VAL MG2 3.310 . 5.120 3.217 3.100 3.380 . 0 0 "[ . 1 . 2]" 1
502 1 95 LEU MD1 1 143 VAL MG1 3.390 . 5.280 4.848 4.724 4.967 . 0 0 "[ . 1 . 2]" 1
503 1 95 LEU MD1 1 99 LEU MD1 2.700 . 3.900 1.771 1.727 1.850 0.073 1 0 "[ . 1 . 2]" 1
504 1 9 MET ME 1 14 ILE MD 3.180 . 4.860 3.504 2.153 4.207 . 0 0 "[ . 1 . 2]" 1
505 1 95 LEU MD1 1 112 LEU MD1 3.720 . 5.940 5.564 5.481 5.677 . 0 0 "[ . 1 . 2]" 1
506 1 95 LEU MD2 1 143 VAL MG1 3.010 . 4.520 3.727 3.630 3.841 . 0 0 "[ . 1 . 2]" 1
507 1 95 LEU MD2 1 204 ILE MD 2.980 . 4.460 3.495 3.268 3.802 . 0 0 "[ . 1 . 2]" 1
508 1 90 MET ME 1 95 LEU MD2 4.150 . 6.800 6.382 6.188 6.542 . 0 0 "[ . 1 . 2]" 1
509 1 95 LEU MD2 1 115 MET ME 3.160 . 4.820 2.749 2.576 3.036 . 0 0 "[ . 1 . 2]" 1
510 1 96 LEU MD1 1 160 MET ME 3.700 . 5.900 2.882 2.028 3.618 . 0 0 "[ . 1 . 2]" 1
511 1 96 LEU MD1 1 138 ALA MB 2.980 . 4.460 2.353 1.779 2.700 0.021 6 0 "[ . 1 . 2]" 1
512 1 96 LEU MD2 1 138 ALA MB 2.980 . 4.460 2.849 2.131 4.130 . 0 0 "[ . 1 . 2]" 1
513 1 96 LEU MD2 1 99 LEU MD1 3.460 . 5.420 4.705 4.480 5.443 0.023 15 0 "[ . 1 . 2]" 1
514 1 113 LEU MD1 1 268 MET ME 2.700 . 3.900 3.351 2.523 3.515 . 0 0 "[ . 1 . 2]" 1
515 1 109 ALA MB 1 113 LEU MD1 3.250 . 5.000 4.223 4.007 4.335 . 0 0 "[ . 1 . 2]" 1
516 1 113 LEU MD1 1 243 LEU MD2 3.060 . 4.620 4.119 3.991 4.203 . 0 0 "[ . 1 . 2]" 1
517 1 113 LEU MD1 1 201 LEU MD2 3.470 . 5.440 4.926 4.760 5.063 . 0 0 "[ . 1 . 2]" 1
518 1 99 LEU MD2 1 204 ILE MD 3.140 . 4.780 4.281 4.127 4.418 . 0 0 "[ . 1 . 2]" 1
519 1 99 LEU MD2 1 138 ALA MB 3.520 . 5.540 4.908 4.820 4.990 . 0 0 "[ . 1 . 2]" 1
520 1 99 LEU MD2 1 143 VAL MG2 3.380 . 5.260 4.078 3.997 4.167 . 0 0 "[ . 1 . 2]" 1
521 1 99 LEU MD2 1 143 VAL MG1 3.550 . 5.600 5.126 5.024 5.259 . 0 0 "[ . 1 . 2]" 1
522 1 99 LEU MD2 1 111 VAL MG1 3.160 . 4.820 4.594 4.372 4.707 . 0 0 "[ . 1 . 2]" 1
523 1 99 LEU MD1 1 138 ALA MB 3.590 . 5.680 3.075 2.964 3.168 . 0 0 "[ . 1 . 2]" 1
524 1 96 LEU MD1 1 99 LEU MD1 3.460 . 5.420 4.630 3.485 4.892 . 0 0 "[ . 1 . 2]" 1
525 1 95 LEU MD2 1 99 LEU MD1 2.990 . 4.480 4.158 4.132 4.192 . 0 0 "[ . 1 . 2]" 1
526 1 99 LEU MD1 1 112 LEU MD2 2.880 . 4.260 4.009 3.821 4.082 . 0 0 "[ . 1 . 2]" 1
527 1 99 LEU MD1 1 112 LEU MD1 3.300 . 5.100 4.862 4.753 4.931 . 0 0 "[ . 1 . 2]" 1
528 1 99 LEU MD1 1 143 VAL MG2 3.530 . 5.550 5.088 4.982 5.211 . 0 0 "[ . 1 . 2]" 1
529 1 99 LEU MD2 1 112 LEU MD2 2.940 . 4.380 2.833 2.639 3.016 . 0 0 "[ . 1 . 2]" 1
530 1 95 LEU MD1 1 112 LEU MD2 3.020 . 4.540 4.075 3.937 4.194 . 0 0 "[ . 1 . 2]" 1
531 1 112 LEU MD1 1 115 MET ME 3.060 . 4.620 4.441 4.101 4.498 . 0 0 "[ . 1 . 2]" 1
532 1 112 LEU MD1 1 205 ALA MB 3.590 . 5.680 3.299 3.068 3.576 . 0 0 "[ . 1 . 2]" 1
533 1 112 LEU MD1 1 240 VAL MG2 2.960 . 4.420 3.765 3.346 4.128 . 0 0 "[ . 1 . 2]" 1
534 1 112 LEU MD1 1 240 VAL MG1 3.180 . 4.860 4.149 3.860 4.507 . 0 0 "[ . 1 . 2]" 1
535 1 107 VAL MG1 1 112 LEU MD1 2.860 . 4.220 3.689 3.607 3.740 . 0 0 "[ . 1 . 2]" 1
536 1 99 LEU MD2 1 112 LEU MD1 3.130 . 4.760 4.273 4.137 4.431 . 0 0 "[ . 1 . 2]" 1
537 1 112 LEU MD2 1 143 VAL MG2 3.990 . 6.480 5.900 5.815 5.975 . 0 0 "[ . 1 . 2]" 1
538 1 123 MET ME 1 126 LEU MD1 3.130 . 4.760 3.195 2.160 3.504 . 0 0 "[ . 1 . 2]" 1
539 1 126 LEU MD1 1 151 VAL MG2 3.000 . 4.500 3.213 2.612 3.957 . 0 0 "[ . 1 . 2]" 1
540 1 70 LEU MD1 1 126 LEU MD1 3.160 . 4.820 2.170 1.789 3.657 0.011 4 0 "[ . 1 . 2]" 1
541 1 126 LEU MD1 1 190 ILE MD 3.850 . 6.200 5.714 5.143 6.125 . 0 0 "[ . 1 . 2]" 1
542 1 136 LEU MD1 1 151 VAL MG2 2.750 . 4.000 2.933 2.585 3.102 . 0 0 "[ . 1 . 2]" 1
543 1 123 MET ME 1 136 LEU MD2 3.180 . 4.860 1.928 1.720 2.588 0.080 20 0 "[ . 1 . 2]" 1
544 1 143 VAL MG1 1 148 LEU MD1 3.710 . 5.920 5.831 5.705 5.915 . 0 0 "[ . 1 . 2]" 1
545 1 143 VAL MG1 1 148 LEU MD2 3.230 . 4.960 4.713 4.582 4.810 . 0 0 "[ . 1 . 2]" 1
546 1 200 LEU MD1 1 204 ILE MD 2.700 . 3.900 2.538 2.282 2.924 . 0 0 "[ . 1 . 2]" 1
547 1 115 MET ME 1 200 LEU MD1 3.610 . 5.720 5.148 4.854 5.610 . 0 0 "[ . 1 . 2]" 1
548 1 196 ALA MB 1 200 LEU MD1 4.260 . 7.020 5.817 5.482 6.039 . 0 0 "[ . 1 . 2]" 1
549 1 119 ILE MD 1 200 LEU MD1 2.570 . 3.640 2.887 2.452 3.315 . 0 0 "[ . 1 . 2]" 1
550 1 200 LEU MD1 1 201 LEU MD2 3.090 . 4.680 4.271 3.992 4.521 . 0 0 "[ . 1 . 2]" 1
551 1 123 MET ME 1 200 LEU MD2 3.750 . 6.000 4.968 4.216 5.398 . 0 0 "[ . 1 . 2]" 1
552 1 138 ALA MB 1 200 LEU MD2 3.190 . 4.880 4.379 4.086 4.516 . 0 0 "[ . 1 . 2]" 1
553 1 136 LEU MD2 1 200 LEU MD2 2.630 . 3.760 2.671 2.326 2.919 . 0 0 "[ . 1 . 2]" 1
554 1 119 ILE MD 1 200 LEU MD2 2.450 . 3.400 1.991 1.764 2.236 0.036 4 0 "[ . 1 . 2]" 1
555 1 200 LEU MD2 1 201 LEU MD2 2.900 . 4.300 3.881 3.609 4.072 . 0 0 "[ . 1 . 2]" 1
556 1 200 LEU MD2 1 204 ILE MD 2.810 . 4.120 3.375 3.205 3.614 . 0 0 "[ . 1 . 2]" 1
557 1 201 LEU MD2 1 268 MET ME 3.520 . 5.540 5.197 4.695 5.301 . 0 0 "[ . 1 . 2]" 1
558 1 116 ALA MB 1 201 LEU MD2 2.970 . 4.440 2.002 1.878 2.098 . 0 0 "[ . 1 . 2]" 1
559 1 201 LEU MD2 1 204 ILE MD 3.010 . 4.520 2.554 2.325 2.901 . 0 0 "[ . 1 . 2]" 1
560 1 201 LEU MD1 1 268 MET ME 3.050 . 4.600 4.209 4.055 4.349 . 0 0 "[ . 1 . 2]" 1
561 1 201 LEU MD1 1 240 VAL MG1 2.660 . 3.820 2.676 2.432 2.890 . 0 0 "[ . 1 . 2]" 1
562 1 201 LEU MD1 1 243 LEU MD2 2.570 . 3.640 1.858 1.750 2.078 0.050 7 0 "[ . 1 . 2]" 1
563 1 217 LEU MD2 1 220 VAL MG1 2.940 . 4.380 3.483 3.022 3.887 . 0 0 "[ . 1 . 2]" 1
564 1 217 LEU MD2 1 220 VAL MG2 2.990 . 4.480 2.943 2.486 3.347 . 0 0 "[ . 1 . 2]" 1
565 1 217 LEU MD1 1 220 VAL MG2 2.990 . 4.480 4.164 3.753 4.305 . 0 0 "[ . 1 . 2]" 1
566 1 217 LEU MD1 1 220 VAL MG1 2.940 . 4.380 4.255 4.142 4.380 0.000 5 0 "[ . 1 . 2]" 1
567 1 215 ILE MD 1 223 LEU MD1 2.300 . 3.100 2.578 2.325 2.779 . 0 0 "[ . 1 . 2]" 1
568 1 220 VAL MG1 1 223 LEU MD1 2.620 . 3.740 2.971 2.807 3.118 . 0 0 "[ . 1 . 2]" 1
569 1 220 VAL MG2 1 223 LEU MD1 2.470 . 3.440 2.721 2.620 2.894 . 0 0 "[ . 1 . 2]" 1
570 1 223 LEU MD1 1 224 LEU MD2 3.150 . 4.800 2.337 2.014 2.660 . 0 0 "[ . 1 . 2]" 1
571 1 220 VAL MG1 1 223 LEU MD2 3.150 . 4.800 4.395 4.307 4.471 . 0 0 "[ . 1 . 2]" 1
572 1 215 ILE MD 1 223 LEU MD2 2.450 . 3.400 1.938 1.765 2.199 0.035 7 0 "[ . 1 . 2]" 1
573 1 220 VAL MG2 1 223 LEU MD2 2.680 . 3.870 3.169 3.074 3.247 . 0 0 "[ . 1 . 2]" 1
574 1 223 LEU MD2 1 224 LEU MD2 3.390 . 5.280 4.559 4.315 4.848 . 0 0 "[ . 1 . 2]" 1
575 1 223 LEU MD2 1 224 LEU MD1 3.800 . 6.100 5.377 5.167 5.577 . 0 0 "[ . 1 . 2]" 1
576 1 220 VAL MG1 1 224 LEU MD1 2.790 . 4.080 1.939 1.880 1.990 . 0 0 "[ . 1 . 2]" 1
577 1 220 VAL MG2 1 224 LEU MD1 2.820 . 4.140 3.949 3.891 4.034 . 0 0 "[ . 1 . 2]" 1
578 1 223 LEU MD1 1 224 LEU MD1 2.940 . 4.380 3.465 3.285 3.704 . 0 0 "[ . 1 . 2]" 1
579 1 183 LEU MD1 1 220 VAL MG1 3.080 . 4.660 2.839 2.367 3.094 . 0 0 "[ . 1 . 2]" 1
580 1 243 LEU MD1 1 261 ILE MD 2.550 . 3.600 2.952 2.600 3.195 . 0 0 "[ . 1 . 2]" 1
581 1 243 LEU MD1 1 246 ALA MB 2.880 . 4.260 3.255 2.867 3.448 . 0 0 "[ . 1 . 2]" 1
582 1 243 LEU MD1 1 244 MET ME 3.340 . 5.180 5.162 5.024 5.221 0.041 7 0 "[ . 1 . 2]" 1
583 1 201 LEU MD1 1 243 LEU MD1 2.810 . 4.120 2.343 2.159 2.581 . 0 0 "[ . 1 . 2]" 1
584 1 201 LEU MD2 1 243 LEU MD2 2.720 . 3.940 3.418 3.292 3.539 . 0 0 "[ . 1 . 2]" 1
585 1 240 VAL MG1 1 243 LEU MD2 2.750 . 4.000 2.265 2.016 2.474 . 0 0 "[ . 1 . 2]" 1
586 1 240 VAL MG2 1 243 LEU MD2 2.720 . 3.940 3.231 2.973 3.361 . 0 0 "[ . 1 . 2]" 1
587 1 243 LEU MD2 1 267 THR MG 3.810 . 6.120 5.718 5.422 6.059 . 0 0 "[ . 1 . 2]" 1
588 1 32 VAL MG1 1 40 VAL MG1 2.380 . 3.260 2.986 2.851 3.077 . 0 0 "[ . 1 . 2]" 1
589 1 32 VAL MG1 1 38 LEU MD2 3.050 . 4.600 4.203 4.080 4.320 . 0 0 "[ . 1 . 2]" 1
590 1 32 VAL MG2 1 40 VAL MG2 3.080 . 4.660 4.147 4.050 4.250 . 0 0 "[ . 1 . 2]" 1
591 1 14 ILE MD 1 40 VAL MG2 3.110 . 4.710 4.210 2.966 4.520 . 0 0 "[ . 1 . 2]" 1
592 1 32 VAL MG1 1 40 VAL MG2 3.050 . 4.600 3.488 3.129 3.652 . 0 0 "[ . 1 . 2]" 1
593 1 38 LEU MD1 1 40 VAL MG2 3.440 . 5.380 4.981 4.803 5.111 . 0 0 "[ . 1 . 2]" 1
594 1 38 LEU MD2 1 40 VAL MG2 3.510 . 5.520 4.800 4.465 5.059 . 0 0 "[ . 1 . 2]" 1
595 1 40 VAL MG2 1 42 VAL MG1 3.880 . 6.260 4.362 4.176 4.469 . 0 0 "[ . 1 . 2]" 1
596 1 9 MET ME 1 40 VAL MG1 3.270 . 5.040 4.509 4.138 4.776 . 0 0 "[ . 1 . 2]" 1
597 1 40 VAL MG1 1 86 ILE MD 3.170 . 4.840 1.798 1.748 1.845 0.052 14 0 "[ . 1 . 2]" 1
598 1 32 VAL MG2 1 40 VAL MG1 3.190 . 4.880 4.711 4.540 4.855 . 0 0 "[ . 1 . 2]" 1
599 1 38 LEU MD2 1 40 VAL MG1 2.850 . 4.200 2.637 2.188 3.016 . 0 0 "[ . 1 . 2]" 1
600 1 16 MET ME 1 40 VAL MG1 3.660 . 5.820 5.271 5.080 5.451 . 0 0 "[ . 1 . 2]" 1
601 1 42 VAL MG2 1 86 ILE MD 3.470 . 5.440 2.820 2.627 2.987 . 0 0 "[ . 1 . 2]" 1
602 1 40 VAL MG2 1 42 VAL MG2 3.330 . 5.160 2.038 1.939 2.135 . 0 0 "[ . 1 . 2]" 1
603 1 40 VAL MG1 1 42 VAL MG2 3.700 . 5.900 4.147 4.021 4.251 . 0 0 "[ . 1 . 2]" 1
604 1 16 MET ME 1 42 VAL MG1 3.700 . 5.900 2.907 2.368 3.135 . 0 0 "[ . 1 . 2]" 1
605 1 107 VAL MG2 1 115 MET ME 2.930 . 4.360 2.766 2.603 2.967 . 0 0 "[ . 1 . 2]" 1
606 1 107 VAL MG2 1 112 LEU MD2 2.870 . 4.240 3.568 3.476 3.655 . 0 0 "[ . 1 . 2]" 1
607 1 99 LEU MD2 1 107 VAL MG2 2.760 . 4.020 2.245 2.125 2.337 . 0 0 "[ . 1 . 2]" 1
608 1 95 LEU MD1 1 107 VAL MG2 3.110 . 4.720 4.365 4.310 4.433 . 0 0 "[ . 1 . 2]" 1
609 1 107 VAL MG1 1 143 VAL MG2 3.720 . 5.940 5.332 5.228 5.401 . 0 0 "[ . 1 . 2]" 1
610 1 107 VAL MG1 1 111 VAL MG1 2.780 . 4.060 2.075 2.020 2.144 . 0 0 "[ . 1 . 2]" 1
611 1 99 LEU MD2 1 107 VAL MG1 2.790 . 4.080 2.969 2.714 3.214 . 0 0 "[ . 1 . 2]" 1
612 1 109 ALA MB 1 110 VAL MG1 3.070 . 4.640 4.051 3.938 4.173 . 0 0 "[ . 1 . 2]" 1
613 1 110 VAL MG1 1 111 VAL MG1 3.030 . 4.560 4.355 4.262 4.406 . 0 0 "[ . 1 . 2]" 1
614 1 109 ALA MB 1 110 VAL MG2 3.520 . 5.540 5.028 4.966 5.126 . 0 0 "[ . 1 . 2]" 1
615 1 111 VAL MG2 1 112 LEU MD2 3.140 . 4.780 4.587 4.518 4.667 . 0 0 "[ . 1 . 2]" 1
616 1 107 VAL MG1 1 111 VAL MG2 2.630 . 3.760 2.786 2.706 2.840 . 0 0 "[ . 1 . 2]" 1
617 1 111 VAL MG1 1 115 MET ME 3.140 . 4.780 3.163 2.533 3.435 . 0 0 "[ . 1 . 2]" 1
618 1 143 VAL MG1 1 149 VAL MG1 3.340 . 5.180 4.360 4.200 4.516 . 0 0 "[ . 1 . 2]" 1
619 1 143 VAL MG1 1 149 VAL MG2 2.800 . 4.100 2.514 2.297 2.756 . 0 0 "[ . 1 . 2]" 1
620 1 90 MET ME 1 143 VAL MG1 4.040 . 6.580 6.227 6.123 6.303 . 0 0 "[ . 1 . 2]" 1
621 1 111 VAL MG1 1 143 VAL MG1 3.270 . 5.040 4.114 3.883 4.328 . 0 0 "[ . 1 . 2]" 1
622 1 111 VAL MG1 1 143 VAL MG2 3.340 . 5.180 4.967 4.737 5.094 . 0 0 "[ . 1 . 2]" 1
623 1 143 VAL MG2 1 149 VAL MG1 2.920 . 4.340 3.053 2.950 3.136 . 0 0 "[ . 1 . 2]" 1
624 1 143 VAL MG2 1 149 VAL MG2 2.740 . 3.980 1.669 1.603 1.724 0.197 1 0 "[ . 1 . 2]" 1
625 1 107 VAL MG2 1 143 VAL MG2 3.030 . 4.560 4.360 4.265 4.486 . 0 0 "[ . 1 . 2]" 1
626 1 90 MET ME 1 143 VAL MG2 3.800 . 6.100 5.927 5.781 6.023 . 0 0 "[ . 1 . 2]" 1
627 1 115 MET ME 1 149 VAL MG2 2.870 . 4.240 2.385 2.246 2.548 . 0 0 "[ . 1 . 2]" 1
628 1 119 ILE MD 1 149 VAL MG2 2.760 . 4.020 3.194 2.938 3.361 . 0 0 "[ . 1 . 2]" 1
629 1 95 LEU MD2 1 149 VAL MG2 2.630 . 3.760 1.814 1.761 1.942 0.039 10 0 "[ . 1 . 2]" 1
630 1 95 LEU MD1 1 149 VAL MG2 2.450 . 3.400 3.139 2.936 3.226 . 0 0 "[ . 1 . 2]" 1
631 1 112 LEU MD2 1 149 VAL MG2 3.290 . 5.080 5.043 4.935 5.135 0.055 11 0 "[ . 1 . 2]" 1
632 1 111 VAL MG1 1 149 VAL MG2 3.140 . 4.780 4.141 3.950 4.415 . 0 0 "[ . 1 . 2]" 1
633 1 149 VAL MG1 1 204 ILE MD 3.070 . 4.640 3.508 3.342 3.702 . 0 0 "[ . 1 . 2]" 1
634 1 149 VAL MG1 1 200 LEU MD2 2.910 . 4.320 4.141 4.044 4.208 . 0 0 "[ . 1 . 2]" 1
635 1 95 LEU MD2 1 149 VAL MG1 2.730 . 3.960 1.924 1.888 2.014 . 0 0 "[ . 1 . 2]" 1
636 1 149 VAL MG1 1 151 VAL MG2 2.850 . 4.200 3.817 3.753 3.916 . 0 0 "[ . 1 . 2]" 1
637 1 90 MET ME 1 149 VAL MG1 3.710 . 5.920 5.614 5.499 5.719 . 0 0 "[ . 1 . 2]" 1
638 1 115 MET ME 1 149 VAL MG1 3.080 . 4.660 4.028 3.907 4.248 . 0 0 "[ . 1 . 2]" 1
639 1 123 MET ME 1 151 VAL MG2 3.470 . 5.440 3.807 2.581 4.270 . 0 0 "[ . 1 . 2]" 1
640 1 70 LEU MD2 1 151 VAL MG2 2.810 . 4.120 2.017 1.951 2.128 . 0 0 "[ . 1 . 2]" 1
641 1 190 ILE MD 1 194 VAL MG2 3.470 . 5.440 2.484 1.915 2.843 . 0 0 "[ . 1 . 2]" 1
642 1 194 VAL MG2 1 246 ALA MB 4.320 . 7.140 6.600 6.119 7.047 . 0 0 "[ . 1 . 2]" 1
643 1 194 VAL MG2 1 196 ALA MB 3.970 . 6.440 5.591 5.368 5.787 . 0 0 "[ . 1 . 2]" 1
644 1 194 VAL MG1 1 261 ILE MD 2.770 . 4.040 1.815 1.685 1.991 0.115 17 0 "[ . 1 . 2]" 1
645 1 194 VAL MG1 1 243 LEU MD1 3.410 . 5.320 4.325 3.866 4.741 . 0 0 "[ . 1 . 2]" 1
646 1 196 ALA MB 1 199 VAL MG1 3.880 . 6.260 5.014 4.742 5.259 . 0 0 "[ . 1 . 2]" 1
647 1 199 VAL MG2 1 244 MET ME 4.040 . 6.580 6.013 5.678 6.392 . 0 0 "[ . 1 . 2]" 1
648 1 175 ILE MD 1 220 VAL MG1 2.880 . 4.260 3.191 2.775 3.388 . 0 0 "[ . 1 . 2]" 1
649 1 220 VAL MG1 1 224 LEU MD2 2.820 . 4.140 2.901 2.428 3.176 . 0 0 "[ . 1 . 2]" 1
650 1 178 THR MG 1 220 VAL MG1 3.650 . 5.800 5.527 5.181 5.769 . 0 0 "[ . 1 . 2]" 1
651 1 220 VAL MG2 1 224 LEU MD2 2.990 . 4.480 4.075 3.578 4.332 . 0 0 "[ . 1 . 2]" 1
652 1 175 ILE MD 1 220 VAL MG2 3.120 . 4.740 4.412 3.945 4.618 . 0 0 "[ . 1 . 2]" 1
653 1 240 VAL MG2 1 244 MET ME 3.250 . 5.000 4.150 3.719 4.507 . 0 0 "[ . 1 . 2]" 1
654 1 109 ALA MB 1 240 VAL MG2 3.670 . 5.840 4.781 4.503 4.978 . 0 0 "[ . 1 . 2]" 1
655 1 201 LEU MD1 1 240 VAL MG2 3.250 . 5.000 4.568 4.311 4.734 . 0 0 "[ . 1 . 2]" 1
656 1 201 LEU MD2 1 240 VAL MG2 3.430 . 5.360 4.735 4.383 5.019 . 0 0 "[ . 1 . 2]" 1
657 1 205 ALA MB 1 240 VAL MG2 3.280 . 5.060 4.200 3.762 4.402 . 0 0 "[ . 1 . 2]" 1
658 1 240 VAL MG1 1 243 LEU MD1 3.050 . 4.600 4.294 4.079 4.524 . 0 0 "[ . 1 . 2]" 1
659 1 201 LEU MD2 1 240 VAL MG1 3.010 . 4.520 3.271 2.944 3.422 . 0 0 "[ . 1 . 2]" 1
660 1 205 ALA MB 1 240 VAL MG1 3.110 . 4.710 3.172 2.737 3.563 . 0 0 "[ . 1 . 2]" 1
661 1 70 LEU MD2 1 123 MET ME 3.540 . 5.580 4.771 3.912 5.237 . 0 0 "[ . 1 . 2]" 1
662 1 136 LEU MD2 1 190 ILE MD 3.890 . 6.280 4.712 4.067 5.345 . 0 0 "[ . 1 . 2]" 1
663 1 96 LEU MD2 1 160 MET ME 3.700 . 5.900 2.950 1.858 3.800 . 0 0 "[ . 1 . 2]" 1
664 1 175 ILE MD 1 224 LEU MD1 3.340 . 5.180 4.446 4.059 4.600 . 0 0 "[ . 1 . 2]" 1
665 1 123 MET ME 1 126 LEU MD2 3.440 . 5.380 2.960 2.428 4.306 . 0 0 "[ . 1 . 2]" 1
666 1 178 THR MG 1 183 LEU MD2 3.350 . 5.200 2.203 2.042 2.357 . 0 0 "[ . 1 . 2]" 1
667 1 38 LEU MD2 1 74 LEU MD1 2.910 . 4.320 2.663 2.008 3.261 . 0 0 "[ . 1 . 2]" 1
668 1 112 LEU MD1 1 113 LEU MD2 3.090 . 4.680 4.485 4.392 4.521 . 0 0 "[ . 1 . 2]" 1
669 1 166 THR MG 1 217 LEU MD1 3.240 . 4.980 3.206 2.549 3.959 . 0 0 "[ . 1 . 2]" 1
670 1 107 VAL MG2 1 111 VAL MG2 2.660 . 3.820 3.730 3.682 3.801 . 0 0 "[ . 1 . 2]" 1
671 1 107 VAL MG2 1 143 VAL MG1 3.100 . 4.700 4.313 4.169 4.439 . 0 0 "[ . 1 . 2]" 1
672 1 95 LEU MD2 1 143 VAL MG2 2.830 . 4.160 1.843 1.811 1.885 . 0 0 "[ . 1 . 2]" 1
673 1 107 VAL MG2 1 111 VAL MG1 2.860 . 4.220 2.701 2.618 2.795 . 0 0 "[ . 1 . 2]" 1
674 1 107 VAL MG1 1 112 LEU MD2 2.800 . 4.100 1.808 1.778 1.854 0.022 5 0 "[ . 1 . 2]" 1
675 1 16 MET ME 1 86 ILE MD 3.330 . 5.160 4.066 3.287 4.203 . 0 0 "[ . 1 . 2]" 1
676 1 169 ALA MB 1 183 LEU MD2 3.240 . 4.980 4.229 3.447 5.144 0.164 7 0 "[ . 1 . 2]" 1
677 1 183 LEU MD1 1 224 LEU MD1 2.790 . 4.080 2.729 2.287 3.143 . 0 0 "[ . 1 . 2]" 1
678 1 169 ALA MB 1 175 ILE MD 3.330 . 5.160 4.087 3.205 5.107 . 0 0 "[ . 1 . 2]" 1
679 1 138 ALA MB 1 177 TRP HE1 3.510 . 5.520 4.767 4.265 5.200 . 0 0 "[ . 1 . 2]" 1
680 1 244 MET ME 1 248 TRP HE1 4.120 . 6.740 5.541 5.043 6.518 . 0 0 "[ . 1 . 2]" 1
681 1 202 TRP HE1 1 209 MET ME 3.150 . 4.800 3.282 1.727 4.144 0.073 19 0 "[ . 1 . 2]" 1
682 1 202 TRP HE1 1 206 THR MG 3.240 . 4.980 4.132 3.396 4.463 . 0 0 "[ . 1 . 2]" 1
683 1 199 VAL MG1 1 248 TRP HE1 3.230 . 4.960 4.280 3.807 4.688 . 0 0 "[ . 1 . 2]" 1
684 1 199 VAL MG2 1 248 TRP HE1 3.200 . 4.900 2.349 1.832 2.917 . 0 0 "[ . 1 . 2]" 1
685 1 177 TRP HE1 1 200 LEU MD1 3.410 . 5.320 4.797 4.466 5.415 0.095 8 0 "[ . 1 . 2]" 1
686 1 261 ILE MD 1 265 PHE HE2 3.430 . 5.360 4.376 4.109 4.571 . 0 0 "[ . 1 . 2]" 1
687 1 110 VAL MG2 1 269 PHE HE1 2.330 . 3.160 2.993 2.867 3.140 . 0 0 "[ . 1 . 2]" 1
688 1 20 LEU MD1 1 89 PHE HE1 2.850 . 4.200 2.509 2.323 2.670 . 0 0 "[ . 1 . 2]" 1
689 1 126 LEU MD2 1 131 PHE HE2 3.390 . 5.280 4.568 2.796 5.232 . 0 0 "[ . 1 . 2]" 1
690 1 126 LEU MD1 1 131 PHE HE2 3.440 . 5.380 5.009 3.309 5.329 . 0 0 "[ . 1 . 2]" 1
691 1 20 LEU MD2 1 89 PHE HE1 2.850 . 4.200 2.817 2.325 3.151 . 0 0 "[ . 1 . 2]" 1
692 1 190 ILE MD 1 258 PHE HE2 3.270 . 5.040 2.194 1.439 2.672 0.361 9 0 "[ . 1 . 2]" 1
693 1 123 MET ME 1 258 PHE HE2 3.080 . 4.660 3.379 2.036 4.628 . 0 0 "[ . 1 . 2]" 1
694 1 194 VAL MG2 1 258 PHE HE2 3.050 . 4.600 2.865 1.718 4.208 0.082 14 0 "[ . 1 . 2]" 1
695 1 116 ALA MB 1 265 PHE HE1 3.230 . 4.960 2.854 2.635 3.024 . 0 0 "[ . 1 . 2]" 1
696 1 265 PHE HE1 1 268 MET ME 2.600 . 3.700 3.441 2.859 3.560 . 0 0 "[ . 1 . 2]" 1
697 1 243 LEU MD1 1 265 PHE HE2 2.600 . 3.700 3.397 3.169 3.547 . 0 0 "[ . 1 . 2]" 1
698 1 243 LEU MD2 1 265 PHE HE2 2.530 . 3.560 2.801 2.640 2.928 . 0 0 "[ . 1 . 2]" 1
699 1 201 LEU MD2 1 265 PHE HE2 2.820 . 4.140 2.706 2.494 2.912 . 0 0 "[ . 1 . 2]" 1
700 1 201 LEU MD1 1 265 PHE HE2 2.660 . 3.820 2.609 2.322 2.785 . 0 0 "[ . 1 . 2]" 1
701 1 240 VAL MG2 1 265 PHE HE1 2.820 . 4.140 2.578 2.281 2.906 . 0 0 "[ . 1 . 2]" 1
702 1 240 VAL MG1 1 265 PHE HE1 2.770 . 4.040 2.586 2.273 2.830 . 0 0 "[ . 1 . 2]" 1
703 1 244 MET ME 1 265 PHE HE1 4.270 . 7.040 5.520 5.095 5.976 . 0 0 "[ . 1 . 2]" 1
704 1 244 MET ME 1 265 PHE HE2 4.600 . 7.700 6.592 6.197 6.878 . 0 0 "[ . 1 . 2]" 1
705 1 113 LEU MD1 1 265 PHE HE1 2.830 . 4.160 2.384 2.246 2.498 . 0 0 "[ . 1 . 2]" 1
706 1 20 LEU QD 1 41 ALA MB 2.940 . 4.380 2.195 2.084 2.304 . 0 0 "[ . 1 . 2]" 1
707 1 20 LEU QD 1 89 PHE HE1 2.520 . 3.540 2.341 2.099 2.532 . 0 0 "[ . 1 . 2]" 1
708 1 71 VAL QG 1 90 MET ME 2.760 . 4.020 1.711 1.640 1.800 0.160 16 0 "[ . 1 . 2]" 1
709 1 71 VAL QG 1 90 MET CE 3.300 . 5.100 2.384 2.344 2.426 . 0 0 "[ . 1 . 2]" 1
710 1 71 VAL QG 1 152 ALA MB 3.230 . 4.960 1.713 1.655 1.792 0.145 18 0 "[ . 1 . 2]" 1
711 1 90 MET ME 1 142 LEU QD 3.690 . 5.880 2.086 1.974 2.228 . 0 0 "[ . 1 . 2]" 1
712 1 96 LEU QD 1 99 LEU MD1 2.910 . 4.320 4.102 3.447 4.248 . 0 0 "[ . 1 . 2]" 1
713 1 96 LEU QD 1 138 ALA CB 2.810 . 4.120 2.950 2.483 3.134 . 0 0 "[ . 1 . 2]" 1
714 1 96 LEU QD 1 160 MET ME 3.310 . 5.120 2.463 1.810 3.188 . 0 0 "[ . 1 . 2]" 1
715 1 96 LEU QD 1 160 MET CE 3.660 . 5.820 3.142 2.319 3.699 . 0 0 "[ . 1 . 2]" 1
716 1 96 LEU QD 1 200 LEU MD1 3.200 . 4.900 4.536 4.183 4.678 . 0 0 "[ . 1 . 2]" 1
717 1 96 LEU QD 1 204 ILE MD 4.000 . 6.500 6.331 6.049 6.457 . 0 0 "[ . 1 . 2]" 1
718 1 166 THR MG 1 217 LEU QD 2.930 . 4.360 2.204 1.890 2.508 . 0 0 "[ . 1 . 2]" 1
719 1 175 ILE MD 1 217 LEU QD 2.560 . 3.620 2.121 1.749 2.840 0.051 12 0 "[ . 1 . 2]" 1
720 1 215 ILE MD 1 217 LEU QD 3.280 . 5.060 4.791 4.195 5.051 . 0 0 "[ . 1 . 2]" 1
721 1 217 LEU QD 1 220 VAL MG2 2.590 . 3.680 2.881 2.453 3.225 . 0 0 "[ . 1 . 2]" 1
722 1 217 LEU QD 1 220 VAL CG2 2.920 . 4.340 3.618 3.222 4.001 . 0 0 "[ . 1 . 2]" 1
723 1 274 ILE MD 1 278 VAL QG 2.520 . 3.540 2.384 1.904 2.775 . 0 0 "[ . 1 . 2]" 1
724 1 274 ILE CD1 1 278 VAL QG 2.750 . 4.000 3.181 2.669 3.640 . 0 0 "[ . 1 . 2]" 1
725 1 278 VAL QG 1 282 LEU QD 1.970 . 2.440 1.830 1.624 2.153 0.176 1 0 "[ . 1 . 2]" 1
726 1 278 VAL QG 1 282 LEU CD1 2.380 . 3.260 2.868 2.569 3.199 . 0 0 "[ . 1 . 2]" 1
727 1 278 VAL QG 1 282 LEU CD2 2.530 . 3.560 2.857 2.387 3.346 . 0 0 "[ . 1 . 2]" 1
728 1 278 VAL CG1 1 282 LEU QD 2.820 . 4.140 2.859 2.502 3.320 . 0 0 "[ . 1 . 2]" 1
729 1 278 VAL CG2 1 282 LEU QD 2.920 . 4.340 2.774 2.553 3.215 . 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 30
_Distance_constraint_stats_list.Viol_count 194
_Distance_constraint_stats_list.Viol_total 220.984
_Distance_constraint_stats_list.Viol_max 0.188
_Distance_constraint_stats_list.Viol_rms 0.0357
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0184
_Distance_constraint_stats_list.Viol_average_violations_only 0.0570
_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 7 TRP 0.396 0.067 8 0 "[ . 1 . 2]"
1 76 VAL 0.396 0.067 8 0 "[ . 1 . 2]"
1 108 ASN 1.670 0.144 9 0 "[ . 1 . 2]"
1 109 ALA 1.352 0.111 7 0 "[ . 1 . 2]"
1 110 VAL 0.970 0.088 8 0 "[ . 1 . 2]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 1.749 0.144 9 0 "[ . 1 . 2]"
1 113 LEU 1.528 0.111 7 0 "[ . 1 . 2]"
1 114 TYR 1.582 0.102 18 0 "[ . 1 . 2]"
1 115 MET 0.651 0.073 16 0 "[ . 1 . 2]"
1 116 ALA 0.084 0.030 13 0 "[ . 1 . 2]"
1 117 THR 0.523 0.074 8 0 "[ . 1 . 2]"
1 118 GLN 0.732 0.102 18 0 "[ . 1 . 2]"
1 119 ILE 0.651 0.073 16 0 "[ . 1 . 2]"
1 120 SER 1.141 0.112 20 0 "[ . 1 . 2]"
1 121 SER 3.882 0.188 3 0 "[ . 1 . 2]"
1 122 ALA 0.121 0.034 16 0 "[ . 1 . 2]"
1 123 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLU 1.136 0.112 20 0 "[ . 1 . 2]"
1 125 TYR 3.536 0.188 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 TRP O 1 76 VAL N 2.930 2.780 3.150 2.912 2.764 3.059 0.016 20 0 "[ . 1 . 2]" 2
2 1 7 TRP O 1 76 VAL H 1.950 . 2.100 2.012 1.873 2.167 0.067 8 0 "[ . 1 . 2]" 2
3 1 108 ASN O 1 112 LEU N 2.930 2.780 3.150 3.058 2.999 3.160 0.010 9 0 "[ . 1 . 2]" 2
4 1 108 ASN O 1 112 LEU H 1.950 . 2.100 2.183 2.148 2.244 0.144 9 0 "[ . 1 . 2]" 2
5 1 109 ALA O 1 113 LEU N 2.930 2.780 3.150 3.099 3.036 3.147 . 0 0 "[ . 1 . 2]" 2
6 1 109 ALA O 1 113 LEU H 1.950 . 2.100 2.168 2.116 2.211 0.111 7 0 "[ . 1 . 2]" 2
7 1 110 VAL O 1 114 TYR N 2.930 2.780 3.150 3.029 2.967 3.087 . 0 0 "[ . 1 . 2]" 2
8 1 110 VAL O 1 114 TYR H 1.950 . 2.100 2.149 2.103 2.188 0.088 8 0 "[ . 1 . 2]" 2
9 1 111 VAL O 1 115 MET N 2.930 2.780 3.150 2.840 2.792 2.903 . 0 0 "[ . 1 . 2]" 2
10 1 111 VAL O 1 115 MET H 1.950 . 2.100 1.928 1.895 1.975 . 0 0 "[ . 1 . 2]" 2
11 1 112 LEU O 1 116 ALA N 2.930 2.780 3.150 3.003 2.889 3.058 . 0 0 "[ . 1 . 2]" 2
12 1 112 LEU O 1 116 ALA H 1.950 . 2.100 2.074 1.963 2.130 0.030 13 0 "[ . 1 . 2]" 2
13 1 113 LEU O 1 117 THR N 2.930 2.780 3.150 2.968 2.884 3.010 . 0 0 "[ . 1 . 2]" 2
14 1 113 LEU O 1 117 THR H 1.950 . 2.100 2.101 2.037 2.127 0.027 4 0 "[ . 1 . 2]" 2
15 1 114 TYR O 1 118 GLN N 2.930 2.780 3.150 3.037 2.951 3.132 . 0 0 "[ . 1 . 2]" 2
16 1 114 TYR O 1 118 GLN H 1.950 . 2.100 2.128 2.067 2.202 0.102 18 0 "[ . 1 . 2]" 2
17 1 115 MET O 1 119 ILE N 2.930 2.780 3.150 3.019 2.897 3.103 . 0 0 "[ . 1 . 2]" 2
18 1 115 MET O 1 119 ILE H 1.950 . 2.100 2.120 1.988 2.173 0.073 16 0 "[ . 1 . 2]" 2
19 1 116 ALA O 1 120 SER N 2.930 2.780 3.150 2.909 2.802 3.012 . 0 0 "[ . 1 . 2]" 2
20 1 116 ALA O 1 120 SER H 1.950 . 2.100 2.025 1.955 2.105 0.005 4 0 "[ . 1 . 2]" 2
21 1 117 THR O 1 121 SER N 2.930 2.780 3.150 3.006 2.899 3.119 . 0 0 "[ . 1 . 2]" 2
22 1 117 THR O 1 121 SER H 1.950 . 2.100 2.094 2.008 2.174 0.074 8 0 "[ . 1 . 2]" 2
23 1 118 GLN O 1 122 ALA N 2.930 2.780 3.150 2.934 2.813 3.054 . 0 0 "[ . 1 . 2]" 2
24 1 118 GLN O 1 122 ALA H 1.950 . 2.100 2.071 1.959 2.134 0.034 16 0 "[ . 1 . 2]" 2
25 1 119 ILE O 1 123 MET N 2.930 2.780 3.150 2.884 2.788 3.004 . 0 0 "[ . 1 . 2]" 2
26 1 119 ILE O 1 123 MET H 1.950 . 2.100 1.956 1.878 2.074 . 0 0 "[ . 1 . 2]" 2
27 1 120 SER O 1 124 GLU N 2.930 2.780 3.150 3.027 2.884 3.161 0.011 4 0 "[ . 1 . 2]" 2
28 1 120 SER O 1 124 GLU H 1.950 . 2.100 2.156 2.112 2.212 0.112 20 0 "[ . 1 . 2]" 2
29 1 121 SER O 1 125 TYR N 2.930 2.780 3.150 3.185 3.117 3.255 0.105 3 0 "[ . 1 . 2]" 2
30 1 121 SER O 1 125 TYR H 1.950 . 2.100 2.240 2.178 2.288 0.188 3 0 "[ . 1 . 2]" 2
stop_
save_
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