Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438752 | 2k5f RC | 15834 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k5f
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 1087
_Distance_constraint_stats_list.Viol_count 361
_Distance_constraint_stats_list.Viol_total 283.612
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0393
_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 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.833 0.133 15 0 "[ . 1 . 2]"
1 3 LEU 0.654 0.037 20 0 "[ . 1 . 2]"
1 4 SER 0.362 0.073 5 0 "[ . 1 . 2]"
1 5 GLU 0.833 0.133 15 0 "[ . 1 . 2]"
1 6 LEU 0.588 0.112 1 0 "[ . 1 . 2]"
1 7 LYS 0.031 0.019 17 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.647 0.112 1 0 "[ . 1 . 2]"
1 11 ARG 0.332 0.104 9 0 "[ . 1 . 2]"
1 12 ALA 0.195 0.076 14 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.137 0.049 3 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.049 0.049 3 0 "[ . 1 . 2]"
1 17 VAL 0.096 0.096 5 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 1.370 0.150 12 0 "[ . 1 . 2]"
1 21 PRO 1.006 0.150 12 0 "[ . 1 . 2]"
1 22 ALA 0.344 0.095 13 0 "[ . 1 . 2]"
1 23 VAL 0.994 0.132 14 0 "[ . 1 . 2]"
1 24 ARG 0.637 0.071 10 0 "[ . 1 . 2]"
1 25 ARG 1.559 0.124 8 0 "[ . 1 . 2]"
1 26 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.309 0.049 8 0 "[ . 1 . 2]"
1 28 MET 1.658 0.124 8 0 "[ . 1 . 2]"
1 29 ASP 0.644 0.085 13 0 "[ . 1 . 2]"
1 30 LEU 0.816 0.073 12 0 "[ . 1 . 2]"
1 31 GLY 0.313 0.048 15 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.039 0.037 7 0 "[ . 1 . 2]"
1 35 GLY 0.039 0.037 7 0 "[ . 1 . 2]"
1 36 ALA 0.663 0.120 4 0 "[ . 1 . 2]"
1 37 LYS 0.245 0.064 2 0 "[ . 1 . 2]"
1 38 LEU 1.106 0.134 10 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.022 0.014 17 0 "[ . 1 . 2]"
1 41 LEU 0.129 0.031 15 0 "[ . 1 . 2]"
1 42 ARG 1.268 0.117 3 0 "[ . 1 . 2]"
1 43 PHE 0.486 0.064 15 0 "[ . 1 . 2]"
1 44 ALA 0.131 0.032 20 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.623 0.099 1 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 1.632 0.117 3 0 "[ . 1 . 2]"
1 51 GLU 0.471 0.075 9 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 0.062 0.041 1 0 "[ . 1 . 2]"
1 54 CYS 0.025 0.020 12 0 "[ . 1 . 2]"
1 55 ASN 0.911 0.120 4 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 MET 0.138 0.041 1 0 "[ . 1 . 2]"
1 58 LEU 0.101 0.026 1 0 "[ . 1 . 2]"
1 59 LEU 0.901 0.098 9 0 "[ . 1 . 2]"
1 60 THR 0.796 0.098 9 0 "[ . 1 . 2]"
1 61 MET 0.027 0.022 16 0 "[ . 1 . 2]"
1 62 ARG 0.301 0.124 4 0 "[ . 1 . 2]"
1 63 ARG 0.293 0.124 4 0 "[ . 1 . 2]"
1 64 ASN 0.099 0.063 19 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.362 0.055 19 0 "[ . 1 . 2]"
1 67 GLU 0.395 0.073 5 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.400 0.055 19 0 "[ . 1 . 2]"
1 70 THR 0.023 0.020 10 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ILE 0.075 0.028 13 0 "[ . 1 . 2]"
1 74 LEU 0.075 0.028 13 0 "[ . 1 . 2]"
1 75 ALA 0.138 0.076 2 0 "[ . 1 . 2]"
1 76 GLY 0.138 0.076 2 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLU 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 14 VAL H 1 14 VAL HB . . 3.260 2.539 2.498 2.576 . 0 0 "[ . 1 . 2]" 1
2 1 46 LEU HB3 1 47 GLY H . . 5.170 4.339 3.752 4.405 . 0 0 "[ . 1 . 2]" 1
3 1 52 VAL HA 1 53 ASN H . . 3.230 2.230 2.172 2.319 . 0 0 "[ . 1 . 2]" 1
4 1 53 ASN H 1 53 ASN HB3 . . 3.660 2.551 2.494 2.667 . 0 0 "[ . 1 . 2]" 1
5 1 52 VAL HB 1 53 ASN H . . 3.800 2.836 2.514 3.090 . 0 0 "[ . 1 . 2]" 1
6 1 54 CYS HA 1 55 ASN H . . 3.550 2.130 2.097 2.177 . 0 0 "[ . 1 . 2]" 1
7 1 6 LEU HA 1 7 LYS H . . 3.190 2.500 2.345 2.595 . 0 0 "[ . 1 . 2]" 1
8 1 42 ARG HA 1 43 PHE H . . 2.940 2.305 2.169 2.411 . 0 0 "[ . 1 . 2]" 1
9 1 60 THR HB 1 61 MET H . . 4.560 4.189 4.049 4.311 . 0 0 "[ . 1 . 2]" 1
10 1 21 PRO HB2 1 22 ALA H . . 3.880 2.793 2.496 3.086 . 0 0 "[ . 1 . 2]" 1
11 1 27 LEU HB3 1 28 MET H . . 4.020 3.613 3.515 3.741 . 0 0 "[ . 1 . 2]" 1
12 1 27 LEU HB2 1 28 MET H . . 3.620 2.566 2.409 2.704 . 0 0 "[ . 1 . 2]" 1
13 1 51 GLU H 1 51 GLU HB3 . . 3.950 3.695 3.635 3.735 . 0 0 "[ . 1 . 2]" 1
14 1 50 ILE HA 1 51 GLU H . . 3.120 2.188 2.138 2.237 . 0 0 "[ . 1 . 2]" 1
15 1 7 LYS HA 1 8 ALA H . . 3.010 2.526 2.280 2.987 . 0 0 "[ . 1 . 2]" 1
16 1 64 ASN H 1 64 ASN HB2 . . 3.730 3.300 2.592 3.624 . 0 0 "[ . 1 . 2]" 1
17 1 59 LEU HA 1 60 THR H . . 2.900 2.181 2.098 2.274 . 0 0 "[ . 1 . 2]" 1
18 1 60 THR H 1 60 THR HB . . 3.520 2.660 2.507 2.820 . 0 0 "[ . 1 . 2]" 1
19 1 72 HIS HA 1 73 ILE H . . 3.010 2.155 2.141 2.178 . 0 0 "[ . 1 . 2]" 1
20 1 73 ILE H 1 73 ILE HB . . 3.260 2.462 2.298 2.569 . 0 0 "[ . 1 . 2]" 1
21 1 17 VAL HB 1 18 ALA H . . 5.680 4.245 3.646 4.341 . 0 0 "[ . 1 . 2]" 1
22 1 19 ALA HA 1 20 GLU H . . 3.080 2.528 2.373 2.625 . 0 0 "[ . 1 . 2]" 1
23 1 20 GLU H 1 20 GLU HB3 . . 3.660 3.320 2.569 3.602 . 0 0 "[ . 1 . 2]" 1
24 1 61 MET HA 1 62 ARG H . . 3.080 2.532 2.406 2.652 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU HB3 1 4 SER H . . 3.950 2.804 2.720 2.869 . 0 0 "[ . 1 . 2]" 1
26 1 41 LEU HB2 1 42 ARG H . . 3.770 2.217 2.070 2.422 . 0 0 "[ . 1 . 2]" 1
27 1 51 GLU HA 1 52 VAL H . . 2.940 2.163 2.142 2.184 . 0 0 "[ . 1 . 2]" 1
28 1 18 ALA HA 1 19 ALA H . . 2.900 2.146 2.100 2.201 . 0 0 "[ . 1 . 2]" 1
29 1 33 VAL HA 1 34 ARG H . . 3.120 2.608 2.488 2.731 . 0 0 "[ . 1 . 2]" 1
30 1 10 ASP H 1 10 ASP HB2 . . 3.370 2.303 2.141 2.542 . 0 0 "[ . 1 . 2]" 1
31 1 26 ARG H 1 27 LEU H . . 3.340 2.683 2.552 2.795 . 0 0 "[ . 1 . 2]" 1
32 1 25 ARG H 1 26 ARG H . . 3.520 2.653 2.498 2.800 . 0 0 "[ . 1 . 2]" 1
33 1 11 ARG HA 1 12 ALA H . . 3.120 2.189 2.144 2.274 . 0 0 "[ . 1 . 2]" 1
34 1 75 ALA HA 1 76 GLY H . . 3.440 2.662 2.167 3.516 0.076 2 0 "[ . 1 . 2]" 1
35 1 48 ASP H 1 48 ASP HB2 . . 3.910 3.476 3.176 3.634 . 0 0 "[ . 1 . 2]" 1
36 1 48 ASP H 1 48 ASP HB3 . . 3.910 2.884 2.353 3.083 . 0 0 "[ . 1 . 2]" 1
37 1 65 GLU H 1 65 GLU HB2 . . 3.480 2.487 2.295 2.780 . 0 0 "[ . 1 . 2]" 1
38 1 64 ASN HB3 1 65 GLU H . . 4.850 3.804 2.627 4.176 . 0 0 "[ . 1 . 2]" 1
39 1 64 ASN HB2 1 65 GLU H . . 4.850 3.549 2.355 4.073 . 0 0 "[ . 1 . 2]" 1
40 1 23 VAL HB 1 24 ARG H . . 3.550 2.571 2.452 2.729 . 0 0 "[ . 1 . 2]" 1
41 1 24 ARG H 1 24 ARG HB2 . . 3.410 2.434 2.292 2.531 . 0 0 "[ . 1 . 2]" 1
42 1 24 ARG H 1 24 ARG HB3 . . 3.480 2.578 2.440 2.669 . 0 0 "[ . 1 . 2]" 1
43 1 23 VAL H 1 24 ARG H . . 3.160 2.525 2.417 2.611 . 0 0 "[ . 1 . 2]" 1
44 1 55 ASN HB3 1 56 GLY H . . 5.780 4.285 3.990 4.433 . 0 0 "[ . 1 . 2]" 1
45 1 70 THR HA 1 71 VAL H . . 2.980 2.174 2.131 2.208 . 0 0 "[ . 1 . 2]" 1
46 1 70 THR HB 1 71 VAL H . . 4.340 4.112 4.006 4.231 . 0 0 "[ . 1 . 2]" 1
47 1 40 VAL HA 1 41 LEU H . . 3.190 2.150 2.125 2.183 . 0 0 "[ . 1 . 2]" 1
48 1 71 VAL HA 1 72 HIS H . . 3.120 2.338 2.275 2.412 . 0 0 "[ . 1 . 2]" 1
49 1 71 VAL HB 1 72 HIS H . . 3.370 2.450 2.284 2.621 . 0 0 "[ . 1 . 2]" 1
50 1 78 GLU HB2 1 79 GLY H . . 5.500 3.723 1.930 4.567 . 0 0 "[ . 1 . 2]" 1
51 1 78 GLU HB3 1 79 GLY H . . 5.500 3.485 1.791 4.483 . 0 0 "[ . 1 . 2]" 1
52 1 22 ALA H 1 25 ARG H . . 5.500 4.773 4.587 5.041 . 0 0 "[ . 1 . 2]" 1
53 1 25 ARG H 1 28 MET H . . 4.600 4.651 4.479 4.724 0.124 8 0 "[ . 1 . 2]" 1
54 1 24 ARG H 1 25 ARG H . . 3.590 2.728 2.611 2.836 . 0 0 "[ . 1 . 2]" 1
55 1 29 ASP H 1 29 ASP HB3 . . 3.660 2.979 2.407 3.597 . 0 0 "[ . 1 . 2]" 1
56 1 29 ASP H 1 29 ASP HB2 . . 3.190 2.379 2.089 2.613 . 0 0 "[ . 1 . 2]" 1
57 1 17 VAL H 1 17 VAL HB . . 3.590 2.935 2.621 3.686 0.096 5 0 "[ . 1 . 2]" 1
58 1 16 SER HA 1 17 VAL H . . 3.050 2.234 2.127 2.352 . 0 0 "[ . 1 . 2]" 1
59 1 2 LYS H 1 2 LYS HB2 . . 4.130 2.290 2.164 2.814 . 0 0 "[ . 1 . 2]" 1
60 1 4 SER HB2 1 5 GLU H . . 5.320 4.093 3.284 4.364 . 0 0 "[ . 1 . 2]" 1
61 1 4 SER HB3 1 5 GLU H . . 5.320 3.855 3.085 4.472 . 0 0 "[ . 1 . 2]" 1
62 1 69 ILE HB 1 70 THR H . . 5.500 4.176 4.066 4.252 . 0 0 "[ . 1 . 2]" 1
63 1 70 THR H 1 70 THR HB . . 3.550 2.602 2.476 2.689 . 0 0 "[ . 1 . 2]" 1
64 1 62 ARG HB3 1 63 ARG H . . 3.950 2.604 2.184 2.879 . 0 0 "[ . 1 . 2]" 1
65 1 63 ARG H 1 63 ARG HB2 . . 3.550 2.551 2.385 2.722 . 0 0 "[ . 1 . 2]" 1
66 1 63 ARG H 1 64 ASN H . . 3.840 2.670 2.504 2.823 . 0 0 "[ . 1 . 2]" 1
67 1 62 ARG HA 1 63 ARG H . . 3.370 2.341 2.220 2.520 . 0 0 "[ . 1 . 2]" 1
68 1 49 PRO HA 1 50 ILE H . . 3.410 2.580 2.440 2.675 . 0 0 "[ . 1 . 2]" 1
69 1 2 LYS HB3 1 3 LEU H . . 4.420 2.749 2.546 3.018 . 0 0 "[ . 1 . 2]" 1
70 1 3 LEU H 1 3 LEU HB2 . . 3.410 2.565 2.488 2.641 . 0 0 "[ . 1 . 2]" 1
71 1 3 LEU H 1 3 LEU HB3 . . 3.480 2.402 2.321 2.488 . 0 0 "[ . 1 . 2]" 1
72 1 14 VAL HB 1 15 THR H . . 5.320 4.277 4.183 4.388 . 0 0 "[ . 1 . 2]" 1
73 1 14 VAL HA 1 15 THR H . . 3.080 2.145 2.118 2.170 . 0 0 "[ . 1 . 2]" 1
74 1 22 ALA H 1 23 VAL H . . 3.770 2.604 2.420 2.754 . 0 0 "[ . 1 . 2]" 1
75 1 43 PHE HA 1 44 ALA H . . 3.050 2.271 2.189 2.357 . 0 0 "[ . 1 . 2]" 1
76 1 43 PHE HB2 1 44 ALA H . . 4.630 3.956 3.706 4.187 . 0 0 "[ . 1 . 2]" 1
77 1 8 ALA HA 1 9 GLY H . . 2.980 2.146 2.120 2.190 . 0 0 "[ . 1 . 2]" 1
78 1 98 LEU HA 1 99 GLU H . . 3.340 2.388 2.127 3.293 . 0 0 "[ . 1 . 2]" 1
79 1 30 LEU HB2 1 31 GLY H . . 4.270 2.733 2.125 3.822 . 0 0 "[ . 1 . 2]" 1
80 1 54 CYS H 1 54 CYS HB2 . . 4.020 2.921 2.825 3.013 . 0 0 "[ . 1 . 2]" 1
81 1 36 ALA HA 1 37 LYS H . . 2.900 2.157 2.109 2.259 . 0 0 "[ . 1 . 2]" 1
82 1 37 LYS H 1 37 LYS HB3 . . 3.950 3.671 3.593 3.789 . 0 0 "[ . 1 . 2]" 1
83 1 2 LYS H 1 5 GLU H . . 4.960 3.912 3.741 4.068 . 0 0 "[ . 1 . 2]" 1
84 1 3 LEU H 1 66 ALA HA . . 5.060 4.388 4.050 4.777 . 0 0 "[ . 1 . 2]" 1
85 1 3 LEU H 1 67 GLU HA . . 5.350 4.355 4.082 4.608 . 0 0 "[ . 1 . 2]" 1
86 1 3 LEU H 1 70 THR HA . . 4.420 3.513 3.287 3.731 . 0 0 "[ . 1 . 2]" 1
87 1 3 LEU H 1 69 ILE H . . 4.340 4.119 3.758 4.364 0.024 9 0 "[ . 1 . 2]" 1
88 1 2 LYS HB3 1 4 SER H . . 3.980 2.185 1.994 2.648 . 0 0 "[ . 1 . 2]" 1
89 1 2 LYS HB2 1 4 SER H . . 3.980 3.538 2.669 3.910 . 0 0 "[ . 1 . 2]" 1
90 1 4 SER H 1 5 GLU H . . 3.660 2.530 2.492 2.576 . 0 0 "[ . 1 . 2]" 1
91 1 3 LEU H 1 4 SER H . . 3.800 2.541 2.511 2.582 . 0 0 "[ . 1 . 2]" 1
92 1 2 LYS HA 1 5 GLU H . . 5.750 4.270 4.162 4.436 . 0 0 "[ . 1 . 2]" 1
93 1 5 GLU H 1 6 LEU H . . 3.230 2.317 2.190 2.426 . 0 0 "[ . 1 . 2]" 1
94 1 7 LYS H 1 10 ASP HB2 . . 4.160 2.434 1.774 3.571 . 0 0 "[ . 1 . 2]" 1
95 1 6 LEU H 1 7 LYS H . . 4.740 4.577 4.496 4.677 . 0 0 "[ . 1 . 2]" 1
96 1 8 ALA H 1 9 GLY H . . 4.780 4.291 3.926 4.478 . 0 0 "[ . 1 . 2]" 1
97 1 8 ALA HA 1 10 ASP H . . 4.090 3.429 2.981 3.714 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLY H 1 10 ASP H . . 3.480 2.309 1.962 2.566 . 0 0 "[ . 1 . 2]" 1
99 1 10 ASP H 1 11 ARG H . . 4.920 4.551 4.398 4.607 . 0 0 "[ . 1 . 2]" 1
100 1 11 ARG H 1 74 LEU H . . 5.170 4.416 4.045 4.819 . 0 0 "[ . 1 . 2]" 1
101 1 12 ALA H 1 74 LEU H . . 4.920 4.370 4.017 4.642 . 0 0 "[ . 1 . 2]" 1
102 1 14 VAL H 1 37 LYS HA . . 4.340 3.573 3.216 4.079 . 0 0 "[ . 1 . 2]" 1
103 1 14 VAL H 1 36 ALA H . . 4.160 3.597 3.391 3.842 . 0 0 "[ . 1 . 2]" 1
104 1 14 VAL H 1 38 LEU H . . 4.740 4.510 4.299 4.774 0.034 4 0 "[ . 1 . 2]" 1
105 1 14 VAL H 1 15 THR H . . 4.810 4.452 4.337 4.548 . 0 0 "[ . 1 . 2]" 1
106 1 15 THR H 1 16 SER H . . 2.980 2.220 2.066 2.382 . 0 0 "[ . 1 . 2]" 1
107 1 14 VAL HA 1 16 SER H . . 4.020 3.714 3.537 4.069 0.049 3 0 "[ . 1 . 2]" 1
108 1 16 SER H 1 70 THR H . . 3.770 3.381 3.186 3.634 . 0 0 "[ . 1 . 2]" 1
109 1 16 SER H 1 17 VAL H . . 4.920 4.221 3.784 4.339 . 0 0 "[ . 1 . 2]" 1
110 1 20 GLU H 1 23 VAL HB . . 3.910 2.995 2.699 3.259 . 0 0 "[ . 1 . 2]" 1
111 1 19 ALA H 1 20 GLU H . . 4.880 4.350 4.321 4.367 . 0 0 "[ . 1 . 2]" 1
112 1 23 VAL H 1 24 ARG HB2 . . 4.810 4.788 4.564 4.881 0.071 10 0 "[ . 1 . 2]" 1
113 1 23 VAL H 1 25 ARG H . . 4.780 4.075 3.802 4.369 . 0 0 "[ . 1 . 2]" 1
114 1 21 PRO HA 1 24 ARG H . . 4.270 3.838 3.557 4.083 . 0 0 "[ . 1 . 2]" 1
115 1 23 VAL HA 1 26 ARG H . . 4.060 3.415 3.267 3.663 . 0 0 "[ . 1 . 2]" 1
116 1 24 ARG HA 1 26 ARG H . . 5.530 4.422 4.297 4.698 . 0 0 "[ . 1 . 2]" 1
117 1 26 ARG H 1 28 MET H . . 4.490 4.083 3.889 4.224 . 0 0 "[ . 1 . 2]" 1
118 1 24 ARG H 1 26 ARG H . . 4.520 4.112 3.911 4.354 . 0 0 "[ . 1 . 2]" 1
119 1 24 ARG HA 1 27 LEU H . . 4.490 3.524 3.203 3.827 . 0 0 "[ . 1 . 2]" 1
120 1 24 ARG HA 1 28 MET H . . 4.880 4.118 3.747 4.466 . 0 0 "[ . 1 . 2]" 1
121 1 27 LEU H 1 28 MET H . . 3.480 2.639 2.480 2.745 . 0 0 "[ . 1 . 2]" 1
122 1 29 ASP H 1 30 LEU H . . 3.440 2.617 2.512 2.819 . 0 0 "[ . 1 . 2]" 1
123 1 29 ASP H 1 31 GLY H . . 4.490 4.101 3.893 4.484 . 0 0 "[ . 1 . 2]" 1
124 1 28 MET H 1 29 ASP H . . 3.300 2.597 2.475 2.746 . 0 0 "[ . 1 . 2]" 1
125 1 28 MET HA 1 30 LEU H . . 4.780 4.156 3.944 4.370 . 0 0 "[ . 1 . 2]" 1
126 1 26 ARG HA 1 30 LEU H . . 4.920 4.327 4.081 4.728 . 0 0 "[ . 1 . 2]" 1
127 1 30 LEU H 1 31 GLY H . . 3.230 2.558 2.461 2.804 . 0 0 "[ . 1 . 2]" 1
128 1 30 LEU H 1 32 LEU H . . 4.090 3.739 3.402 3.947 . 0 0 "[ . 1 . 2]" 1
129 1 28 MET H 1 30 LEU H . . 4.810 4.027 3.873 4.243 . 0 0 "[ . 1 . 2]" 1
130 1 71 VAL HB 1 73 ILE H . . 5.890 5.188 4.998 5.387 . 0 0 "[ . 1 . 2]" 1
131 1 54 CYS HB3 1 57 MET H . . 4.920 4.264 4.024 4.546 . 0 0 "[ . 1 . 2]" 1
132 1 55 ASN HB2 1 57 MET H . . 5.280 4.025 3.480 5.296 0.016 5 0 "[ . 1 . 2]" 1
133 1 55 ASN HA 1 57 MET H . . 5.320 4.420 4.313 4.634 . 0 0 "[ . 1 . 2]" 1
134 1 87 PHE H 1 88 ARG H . . 5.240 3.503 1.940 4.615 . 0 0 "[ . 1 . 2]" 1
135 1 54 CYS HA 1 57 MET H . . 5.280 4.461 4.285 4.709 . 0 0 "[ . 1 . 2]" 1
136 1 53 ASN HA 1 57 MET H . . 4.700 4.394 3.797 4.741 0.041 1 0 "[ . 1 . 2]" 1
137 1 56 GLY H 1 57 MET H . . 3.410 2.436 2.195 2.700 . 0 0 "[ . 1 . 2]" 1
138 1 57 MET H 1 58 LEU H . . 4.450 4.403 4.241 4.476 0.026 1 0 "[ . 1 . 2]" 1
139 1 31 GLY H 1 32 LEU H . . 3.230 1.827 1.638 2.504 . 0 0 "[ . 1 . 2]" 1
140 1 51 GLU HA 1 59 LEU H . . 5.060 4.948 4.639 5.135 0.075 9 0 "[ . 1 . 2]" 1
141 1 59 LEU H 1 60 THR H . . 4.420 4.411 4.299 4.515 0.095 8 0 "[ . 1 . 2]" 1
142 1 52 VAL H 1 59 LEU H . . 3.660 3.379 3.049 3.601 . 0 0 "[ . 1 . 2]" 1
143 1 31 GLY HA2 1 33 VAL H . . 5.420 4.660 4.362 4.917 . 0 0 "[ . 1 . 2]" 1
144 1 51 GLU HA 1 60 THR H . . 5.320 4.994 4.504 5.382 0.062 9 0 "[ . 1 . 2]" 1
145 1 28 MET HA 1 33 VAL H . . 5.530 4.410 3.783 4.809 . 0 0 "[ . 1 . 2]" 1
146 1 32 LEU H 1 33 VAL H . . 4.520 4.020 3.884 4.144 . 0 0 "[ . 1 . 2]" 1
147 1 33 VAL H 1 34 ARG H . . 5.140 4.411 4.361 4.492 . 0 0 "[ . 1 . 2]" 1
148 1 33 VAL H 1 35 GLY H . . 5.930 5.536 5.358 5.832 . 0 0 "[ . 1 . 2]" 1
149 1 51 GLU HA 1 61 MET H . . 4.160 3.791 3.191 4.182 0.022 16 0 "[ . 1 . 2]" 1
150 1 62 ARG H 1 65 GLU H . . 4.960 4.000 3.719 4.675 . 0 0 "[ . 1 . 2]" 1
151 1 62 ARG H 1 66 ALA H . . 5.500 4.874 4.587 5.332 . 0 0 "[ . 1 . 2]" 1
152 1 61 MET H 1 62 ARG H . . 4.780 4.405 4.367 4.447 . 0 0 "[ . 1 . 2]" 1
153 1 15 THR HA 1 35 GLY H . . 4.600 3.702 3.470 4.071 . 0 0 "[ . 1 . 2]" 1
154 1 48 ASP HA 1 63 ARG H . . 4.520 3.532 3.038 3.874 . 0 0 "[ . 1 . 2]" 1
155 1 35 GLY H 1 36 ALA H . . 3.480 2.348 2.218 2.496 . 0 0 "[ . 1 . 2]" 1
156 1 49 PRO HA 1 63 ARG H . . 4.520 3.045 2.487 3.823 . 0 0 "[ . 1 . 2]" 1
157 1 34 ARG H 1 35 GLY H . . 4.740 4.486 4.433 4.553 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL H 1 35 GLY H . . 4.240 3.731 3.487 3.959 . 0 0 "[ . 1 . 2]" 1
159 1 64 ASN H 1 65 GLU H . . 3.700 2.734 2.607 2.951 . 0 0 "[ . 1 . 2]" 1
160 1 64 ASN H 1 66 ALA H . . 4.920 4.124 3.969 4.250 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL HA 1 36 ALA H . . 5.820 5.485 5.340 5.734 . 0 0 "[ . 1 . 2]" 1
162 1 33 VAL H 1 36 ALA H . . 4.380 3.692 3.500 4.071 . 0 0 "[ . 1 . 2]" 1
163 1 63 ARG HA 1 65 GLU H . . 5.030 4.152 3.953 4.498 . 0 0 "[ . 1 . 2]" 1
164 1 62 ARG HA 1 65 GLU H . . 5.570 4.752 4.365 5.138 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLU HA 1 37 LYS H . . 5.680 4.669 4.389 5.002 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL H 1 37 LYS H . . 5.170 4.956 4.814 5.161 . 0 0 "[ . 1 . 2]" 1
167 1 11 ARG HA 1 38 LEU H . . 4.960 4.699 4.319 4.930 . 0 0 "[ . 1 . 2]" 1
168 1 37 LYS H 1 38 LEU H . . 5.060 4.436 4.216 4.527 . 0 0 "[ . 1 . 2]" 1
169 1 63 ARG HA 1 66 ALA H . . 4.340 3.196 2.957 3.511 . 0 0 "[ . 1 . 2]" 1
170 1 12 ALA H 1 38 LEU H . . 3.730 3.087 2.785 3.267 . 0 0 "[ . 1 . 2]" 1
171 1 64 ASN HA 1 66 ALA H . . 5.140 4.432 4.241 4.703 . 0 0 "[ . 1 . 2]" 1
172 1 65 GLU H 1 66 ALA H . . 3.120 2.506 2.417 2.694 . 0 0 "[ . 1 . 2]" 1
173 1 66 ALA H 1 68 GLY H . . 5.390 4.258 4.102 4.476 . 0 0 "[ . 1 . 2]" 1
174 1 39 LYS H 1 54 CYS HA . . 4.520 3.668 3.456 3.907 . 0 0 "[ . 1 . 2]" 1
175 1 63 ARG H 1 66 ALA H . . 5.860 4.869 4.592 5.155 . 0 0 "[ . 1 . 2]" 1
176 1 39 LYS H 1 53 ASN H . . 3.620 2.988 2.663 3.216 . 0 0 "[ . 1 . 2]" 1
177 1 63 ARG HA 1 67 GLU H . . 5.320 4.153 3.689 4.573 . 0 0 "[ . 1 . 2]" 1
178 1 64 ASN HA 1 67 GLU H . . 4.020 3.565 3.241 3.923 . 0 0 "[ . 1 . 2]" 1
179 1 67 GLU H 1 68 GLY H . . 3.700 2.675 2.598 2.813 . 0 0 "[ . 1 . 2]" 1
180 1 67 GLU H 1 69 ILE H . . 4.450 3.931 3.806 4.016 . 0 0 "[ . 1 . 2]" 1
181 1 8 ALA HA 1 40 VAL H . . 5.680 4.933 4.186 5.451 . 0 0 "[ . 1 . 2]" 1
182 1 11 ARG HA 1 40 VAL H . . 4.340 3.493 3.050 4.065 . 0 0 "[ . 1 . 2]" 1
183 1 68 GLY H 1 69 ILE HA . . 5.780 5.197 5.163 5.240 . 0 0 "[ . 1 . 2]" 1
184 1 41 LEU H 1 52 VAL HA . . 3.590 2.217 2.029 2.507 . 0 0 "[ . 1 . 2]" 1
185 1 41 LEU H 1 51 GLU HA . . 5.600 5.115 4.897 5.294 . 0 0 "[ . 1 . 2]" 1
186 1 41 LEU H 1 42 ARG H . . 3.260 2.574 2.405 2.732 . 0 0 "[ . 1 . 2]" 1
187 1 67 GLU HA 1 69 ILE H . . 4.780 4.072 3.750 4.338 . 0 0 "[ . 1 . 2]" 1
188 1 69 ILE H 1 70 THR HA . . 5.460 5.311 5.207 5.421 . 0 0 "[ . 1 . 2]" 1
189 1 2 LYS HA 1 69 ILE H . . 5.530 5.138 4.564 5.443 . 0 0 "[ . 1 . 2]" 1
190 1 8 ALA HA 1 42 ARG H . . 5.500 4.791 4.320 5.185 . 0 0 "[ . 1 . 2]" 1
191 1 18 ALA H 1 69 ILE H . . 5.320 4.060 3.747 4.361 . 0 0 "[ . 1 . 2]" 1
192 1 42 ARG H 1 50 ILE HA . . 4.990 5.052 4.977 5.107 0.117 3 0 "[ . 1 . 2]" 1
193 1 42 ARG H 1 43 PHE HA . . 5.680 4.669 4.525 4.807 . 0 0 "[ . 1 . 2]" 1
194 1 69 ILE H 1 70 THR H . . 4.880 4.464 4.395 4.539 . 0 0 "[ . 1 . 2]" 1
195 1 42 ARG H 1 52 VAL HA . . 4.810 4.268 4.021 4.755 . 0 0 "[ . 1 . 2]" 1
196 1 68 GLY H 1 69 ILE H . . 3.370 2.613 2.582 2.657 . 0 0 "[ . 1 . 2]" 1
197 1 42 ARG H 1 51 GLU HA . . 5.390 4.784 4.576 5.002 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL HA 1 70 THR H . . 5.420 5.259 5.048 5.440 0.020 10 0 "[ . 1 . 2]" 1
199 1 2 LYS HA 1 70 THR H . . 5.680 4.918 4.782 5.163 . 0 0 "[ . 1 . 2]" 1
200 1 42 ARG H 1 43 PHE H . . 4.670 4.309 4.251 4.363 . 0 0 "[ . 1 . 2]" 1
201 1 43 PHE H 1 44 ALA H . . 4.880 4.470 4.390 4.555 . 0 0 "[ . 1 . 2]" 1
202 1 15 THR H 1 70 THR H . . 5.140 4.670 4.387 5.037 . 0 0 "[ . 1 . 2]" 1
203 1 3 LEU HA 1 71 VAL H . . 5.320 4.632 4.487 4.937 . 0 0 "[ . 1 . 2]" 1
204 1 44 ALA H 1 47 GLY H . . 4.560 4.013 3.755 4.344 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL HA 1 72 HIS H . . 4.600 3.850 3.468 4.150 . 0 0 "[ . 1 . 2]" 1
206 1 46 LEU H 1 48 ASP H . . 5.030 2.955 2.700 3.607 . 0 0 "[ . 1 . 2]" 1
207 1 15 THR H 1 72 HIS H . . 4.630 3.896 3.531 4.229 . 0 0 "[ . 1 . 2]" 1
208 1 46 LEU H 1 47 GLY H . . 3.730 2.006 1.861 2.410 . 0 0 "[ . 1 . 2]" 1
209 1 47 GLY H 1 48 ASP H . . 3.410 2.551 2.007 3.186 . 0 0 "[ . 1 . 2]" 1
210 1 12 ALA HA 1 74 LEU H . . 3.410 2.213 1.949 2.573 . 0 0 "[ . 1 . 2]" 1
211 1 73 ILE H 1 74 LEU H . . 4.560 4.548 4.479 4.588 0.028 13 0 "[ . 1 . 2]" 1
212 1 13 GLU H 1 74 LEU H . . 4.420 4.032 3.658 4.300 . 0 0 "[ . 1 . 2]" 1
213 1 46 LEU HB2 1 48 ASP H . . 4.520 2.936 2.339 3.466 . 0 0 "[ . 1 . 2]" 1
214 1 46 LEU HA 1 48 ASP H . . 5.140 4.328 4.095 5.046 . 0 0 "[ . 1 . 2]" 1
215 1 48 ASP H 1 49 PRO HA . . 4.880 4.619 4.495 4.767 . 0 0 "[ . 1 . 2]" 1
216 1 2 LYS H 1 5 GLU HA . . 5.210 5.225 4.840 5.343 0.133 15 0 "[ . 1 . 2]" 1
217 1 3 LEU H 1 5 GLU H . . 5.140 3.875 3.765 3.956 . 0 0 "[ . 1 . 2]" 1
218 1 50 ILE H 1 62 ARG HA . . 4.740 3.326 2.986 3.783 . 0 0 "[ . 1 . 2]" 1
219 1 48 ASP HA 1 50 ILE H . . 3.880 3.782 3.511 3.979 0.099 1 0 "[ . 1 . 2]" 1
220 1 50 ILE H 1 61 MET H . . 3.770 3.142 2.787 3.488 . 0 0 "[ . 1 . 2]" 1
221 1 43 PHE HA 1 51 GLU H . . 4.340 3.273 2.994 3.532 . 0 0 "[ . 1 . 2]" 1
222 1 42 ARG H 1 51 GLU H . . 3.910 3.193 3.112 3.289 . 0 0 "[ . 1 . 2]" 1
223 1 7 LYS H 1 10 ASP H . . 5.390 3.884 3.575 4.546 . 0 0 "[ . 1 . 2]" 1
224 1 51 GLU H 1 52 VAL H . . 4.520 4.360 4.280 4.456 . 0 0 "[ . 1 . 2]" 1
225 1 11 ARG H 1 73 ILE HA . . 5.930 4.924 4.579 5.276 . 0 0 "[ . 1 . 2]" 1
226 1 11 ARG H 1 39 LYS HA . . 5.280 4.707 4.531 4.984 . 0 0 "[ . 1 . 2]" 1
227 1 12 ALA H 1 38 LEU HA . . 5.750 4.880 4.771 5.039 . 0 0 "[ . 1 . 2]" 1
228 1 12 ALA H 1 39 LYS H . . 5.320 4.982 4.828 5.292 . 0 0 "[ . 1 . 2]" 1
229 1 12 ALA H 1 13 GLU H . . 4.960 4.402 4.362 4.435 . 0 0 "[ . 1 . 2]" 1
230 1 11 ARG H 1 12 ALA H . . 5.320 4.383 4.216 4.514 . 0 0 "[ . 1 . 2]" 1
231 1 13 GLU H 1 38 LEU H . . 5.240 4.926 4.718 5.134 . 0 0 "[ . 1 . 2]" 1
232 1 40 VAL HA 1 53 ASN H . . 4.630 3.648 3.400 3.848 . 0 0 "[ . 1 . 2]" 1
233 1 39 LYS HA 1 53 ASN H . . 4.990 4.748 4.534 4.885 . 0 0 "[ . 1 . 2]" 1
234 1 14 VAL H 1 35 GLY HA2 . . 6.000 4.646 4.365 4.832 . 0 0 "[ . 1 . 2]" 1
235 1 38 LEU HA 1 53 ASN H . . 5.460 4.796 4.413 5.175 . 0 0 "[ . 1 . 2]" 1
236 1 16 SER H 1 17 VAL HA . . 5.280 4.604 4.442 4.729 . 0 0 "[ . 1 . 2]" 1
237 1 20 GLU H 1 24 ARG HB2 . . 5.170 4.568 4.119 4.988 . 0 0 "[ . 1 . 2]" 1
238 1 20 GLU H 1 23 VAL H . . 5.600 4.453 4.269 4.609 . 0 0 "[ . 1 . 2]" 1
239 1 20 GLU HA 1 22 ALA H . . 5.570 4.459 4.114 4.684 . 0 0 "[ . 1 . 2]" 1
240 1 22 ALA H 1 24 ARG H . . 5.030 4.115 3.939 4.249 . 0 0 "[ . 1 . 2]" 1
241 1 23 VAL H 1 24 ARG HA . . 5.710 5.159 5.044 5.246 . 0 0 "[ . 1 . 2]" 1
242 1 27 LEU H 1 27 LEU HB2 . . 3.190 2.490 2.454 2.535 . 0 0 "[ . 1 . 2]" 1
243 1 26 ARG HA 1 28 MET H . . 5.100 4.479 4.320 4.623 . 0 0 "[ . 1 . 2]" 1
244 1 38 LEU HA 1 54 CYS H . . 5.280 4.747 4.467 5.087 . 0 0 "[ . 1 . 2]" 1
245 1 27 LEU H 1 30 LEU H . . 4.740 4.741 4.660 4.789 0.049 8 0 "[ . 1 . 2]" 1
246 1 54 CYS H 1 57 MET H . . 3.700 3.291 3.052 3.574 . 0 0 "[ . 1 . 2]" 1
247 1 38 LEU H 1 39 LYS H . . 5.820 4.407 4.355 4.463 . 0 0 "[ . 1 . 2]" 1
248 1 54 CYS HB2 1 55 ASN H . . 5.210 4.380 4.257 4.505 . 0 0 "[ . 1 . 2]" 1
249 1 38 LEU HA 1 55 ASN H . . 4.990 2.997 2.308 3.508 . 0 0 "[ . 1 . 2]" 1
250 1 55 ASN H 1 56 GLY H . . 4.270 2.689 2.588 2.784 . 0 0 "[ . 1 . 2]" 1
251 1 44 ALA H 1 48 ASP H . . 5.420 3.813 3.413 4.512 . 0 0 "[ . 1 . 2]" 1
252 1 37 LYS H 1 55 ASN H . . 5.570 4.137 3.539 4.824 . 0 0 "[ . 1 . 2]" 1
253 1 42 ARG HA 1 51 GLU H . . 5.500 5.002 4.864 5.238 . 0 0 "[ . 1 . 2]" 1
254 1 53 ASN H 1 58 LEU HA . . 5.240 4.745 4.462 5.261 0.021 9 0 "[ . 1 . 2]" 1
255 1 53 ASN H 1 54 CYS H . . 4.810 4.187 4.105 4.242 . 0 0 "[ . 1 . 2]" 1
256 1 53 ASN HB3 1 56 GLY H . . 5.500 4.924 4.706 5.195 . 0 0 "[ . 1 . 2]" 1
257 1 55 ASN HB2 1 56 GLY H . . 5.640 4.213 4.041 4.510 . 0 0 "[ . 1 . 2]" 1
258 1 54 CYS HA 1 56 GLY H . . 5.060 3.778 3.460 3.999 . 0 0 "[ . 1 . 2]" 1
259 1 63 ARG H 1 65 GLU H . . 5.530 4.302 4.079 4.625 . 0 0 "[ . 1 . 2]" 1
260 1 38 LEU HA 1 56 GLY H . . 6.000 4.724 4.317 5.109 . 0 0 "[ . 1 . 2]" 1
261 1 53 ASN HA 1 56 GLY H . . 6.000 4.759 4.541 4.945 . 0 0 "[ . 1 . 2]" 1
262 1 55 ASN HB3 1 57 MET H . . 5.780 4.237 3.407 4.697 . 0 0 "[ . 1 . 2]" 1
263 1 53 ASN H 1 53 ASN HD21 . . 6.000 4.834 4.442 4.980 . 0 0 "[ . 1 . 2]" 1
264 1 55 ASN HB2 1 55 ASN HD22 . . 4.090 3.505 3.456 3.774 . 0 0 "[ . 1 . 2]" 1
265 1 38 LEU H 1 38 LEU HG . . 3.010 2.779 2.102 3.144 0.134 10 0 "[ . 1 . 2]" 1
266 1 53 ASN HB2 1 53 ASN HD22 . . 3.980 3.554 3.463 3.794 . 0 0 "[ . 1 . 2]" 1
267 1 24 ARG H 1 24 ARG HE . . 5.710 4.757 3.661 5.633 . 0 0 "[ . 1 . 2]" 1
268 1 69 ILE H 1 69 ILE HG13 . . 3.800 2.191 2.013 2.416 . 0 0 "[ . 1 . 2]" 1
269 1 74 LEU H 1 74 LEU HG . . 3.440 2.565 2.326 2.806 . 0 0 "[ . 1 . 2]" 1
270 1 11 ARG H 1 11 ARG HG3 . . 4.630 3.753 2.567 4.734 0.104 9 0 "[ . 1 . 2]" 1
271 1 84 TRP H 1 84 TRP HD1 . . 6.000 4.576 2.817 5.899 . 0 0 "[ . 1 . 2]" 1
272 1 3 LEU HG 1 5 GLU H . . 5.750 5.373 5.246 5.510 . 0 0 "[ . 1 . 2]" 1
273 1 9 GLY H 1 40 VAL HB . . 3.910 2.670 2.151 3.347 . 0 0 "[ . 1 . 2]" 1
274 1 12 ALA H 1 38 LEU HG . . 4.420 3.621 3.172 4.283 . 0 0 "[ . 1 . 2]" 1
275 1 13 GLU H 1 74 LEU HG . . 3.910 2.898 2.408 3.361 . 0 0 "[ . 1 . 2]" 1
276 1 15 THR H 1 71 VAL HB . . 5.640 4.543 4.232 4.826 . 0 0 "[ . 1 . 2]" 1
277 1 19 ALA H 1 24 ARG HB2 . . 5.960 3.525 3.015 4.035 . 0 0 "[ . 1 . 2]" 1
278 1 20 GLU H 1 21 PRO HD3 . . 5.930 5.169 4.972 5.268 . 0 0 "[ . 1 . 2]" 1
279 1 20 GLU H 1 21 PRO HD2 . . 6.000 4.710 4.658 4.752 . 0 0 "[ . 1 . 2]" 1
280 1 21 PRO HD2 1 22 ALA H . . 5.100 3.335 2.920 3.631 . 0 0 "[ . 1 . 2]" 1
281 1 33 VAL H 1 54 CYS HG . . 6.000 4.287 3.636 5.102 . 0 0 "[ . 1 . 2]" 1
282 1 14 VAL HB 1 33 VAL H . . 6.000 4.290 3.877 5.164 . 0 0 "[ . 1 . 2]" 1
283 1 50 ILE HB 1 61 MET H . . 4.520 3.816 3.414 4.058 . 0 0 "[ . 1 . 2]" 1
284 1 34 ARG HG3 1 35 GLY H . . 4.700 3.434 2.871 4.737 0.037 7 0 "[ . 1 . 2]" 1
285 1 14 VAL HB 1 35 GLY H . . 3.590 3.089 2.665 3.321 . 0 0 "[ . 1 . 2]" 1
286 1 14 VAL HB 1 36 ALA H . . 3.120 2.879 2.619 3.129 0.009 4 0 "[ . 1 . 2]" 1
287 1 64 ASN H 1 64 ASN HD21 . . 6.000 3.347 2.173 4.502 . 0 0 "[ . 1 . 2]" 1
288 1 36 ALA H 1 55 ASN HD21 . . 5.820 5.746 5.203 5.940 0.120 4 0 "[ . 1 . 2]" 1
289 1 39 LYS H 1 53 ASN HB2 . . 5.820 4.461 4.313 4.669 . 0 0 "[ . 1 . 2]" 1
290 1 39 LYS H 1 53 ASN HB3 . . 4.310 2.910 2.748 3.099 . 0 0 "[ . 1 . 2]" 1
291 1 40 VAL H 1 52 VAL HB . . 6.000 4.940 4.707 5.388 . 0 0 "[ . 1 . 2]" 1
292 1 3 LEU HB3 1 69 ILE H . . 4.960 3.957 3.699 4.109 . 0 0 "[ . 1 . 2]" 1
293 1 69 ILE HG12 1 70 THR H . . 6.000 4.473 4.256 4.588 . 0 0 "[ . 1 . 2]" 1
294 1 46 LEU HG 1 47 GLY H . . 6.000 4.737 4.333 4.876 . 0 0 "[ . 1 . 2]" 1
295 1 72 HIS HD2 1 73 ILE H . . 6.000 4.465 3.934 4.851 . 0 0 "[ . 1 . 2]" 1
296 1 46 LEU HG 1 48 ASP H . . 6.000 5.017 4.423 5.432 . 0 0 "[ . 1 . 2]" 1
297 1 43 PHE HB2 1 48 ASP H . . 6.000 5.982 5.605 6.064 0.064 15 0 "[ . 1 . 2]" 1
298 1 7 LYS H 1 40 VAL HB . . 6.000 4.269 3.896 4.661 . 0 0 "[ . 1 . 2]" 1
299 1 12 ALA H 1 38 LEU HB3 . . 5.600 5.527 5.359 5.676 0.076 14 0 "[ . 1 . 2]" 1
300 1 41 LEU HG 1 53 ASN H . . 3.910 2.505 2.263 2.846 . 0 0 "[ . 1 . 2]" 1
301 1 53 ASN HD21 1 56 GLY HA2 . . 5.350 4.605 3.767 5.172 . 0 0 "[ . 1 . 2]" 1
302 1 53 ASN HD22 1 56 GLY HA2 . . 4.520 3.013 2.099 3.603 . 0 0 "[ . 1 . 2]" 1
303 1 44 ALA H 1 50 ILE HG13 . . 4.920 4.889 4.736 4.952 0.032 20 0 "[ . 1 . 2]" 1
304 1 54 CYS HG 1 55 ASN HD21 . . 6.000 3.566 2.431 4.555 . 0 0 "[ . 1 . 2]" 1
305 1 38 LEU HB3 1 53 ASN H . . 6.000 5.377 4.915 5.790 . 0 0 "[ . 1 . 2]" 1
306 1 36 ALA HA 1 55 ASN HD21 . . 4.880 3.741 3.212 4.334 . 0 0 "[ . 1 . 2]" 1
307 1 31 GLY HA3 1 55 ASN HD21 . . 6.000 3.670 2.957 4.760 . 0 0 "[ . 1 . 2]" 1
308 1 54 CYS HG 1 55 ASN HD22 . . 6.000 4.418 3.533 5.756 . 0 0 "[ . 1 . 2]" 1
309 1 36 ALA HA 1 55 ASN HD22 . . 3.880 2.715 1.887 3.924 0.044 5 0 "[ . 1 . 2]" 1
310 1 37 LYS H 1 55 ASN HD22 . . 4.670 3.709 2.632 4.734 0.064 2 0 "[ . 1 . 2]" 1
311 1 64 ASN H 1 64 ASN HD22 . . 6.000 3.983 3.036 5.579 . 0 0 "[ . 1 . 2]" 1
312 1 14 VAL H 1 14 VAL MG2 . . 3.780 2.136 2.019 2.300 . 0 0 "[ . 1 . 2]" 1
313 1 98 LEU H 1 98 LEU MD2 . . 5.650 3.444 1.342 4.554 . 0 0 "[ . 1 . 2]" 1
314 1 36 ALA H 1 36 ALA MB . . 3.560 2.255 2.232 2.268 . 0 0 "[ . 1 . 2]" 1
315 1 66 ALA MB 1 67 GLU H . . 4.430 2.740 2.598 2.843 . 0 0 "[ . 1 . 2]" 1
316 1 8 ALA H 1 8 ALA MB . . 3.450 2.420 2.228 2.958 . 0 0 "[ . 1 . 2]" 1
317 1 75 ALA MB 1 76 GLY H . . 4.820 2.689 1.724 3.708 . 0 0 "[ . 1 . 2]" 1
318 1 66 ALA H 1 66 ALA MB . . 3.670 2.230 2.220 2.247 . 0 0 "[ . 1 . 2]" 1
319 1 71 VAL H 1 71 VAL MG2 . . 3.960 2.192 2.103 2.276 . 0 0 "[ . 1 . 2]" 1
320 1 40 VAL H 1 40 VAL MG2 . . 4.030 2.134 2.062 2.279 . 0 0 "[ . 1 . 2]" 1
321 1 15 THR H 1 15 THR MG . . 4.530 2.786 2.462 3.513 . 0 0 "[ . 1 . 2]" 1
322 1 22 ALA MB 1 23 VAL H . . 4.250 2.542 2.372 2.765 . 0 0 "[ . 1 . 2]" 1
323 1 23 VAL H 1 23 VAL MG2 . . 3.780 2.179 2.015 2.446 . 0 0 "[ . 1 . 2]" 1
324 1 44 ALA H 1 44 ALA MB . . 3.630 2.236 2.224 2.250 . 0 0 "[ . 1 . 2]" 1
325 1 36 ALA MB 1 37 LYS H . . 3.990 3.050 2.716 3.327 . 0 0 "[ . 1 . 2]" 1
326 1 3 LEU H 1 71 VAL MG2 . . 5.330 3.337 3.060 3.713 . 0 0 "[ . 1 . 2]" 1
327 1 3 LEU H 1 71 VAL MG1 . . 4.820 3.381 3.168 3.548 . 0 0 "[ . 1 . 2]" 1
328 1 3 LEU MD2 1 4 SER H . . 5.540 4.605 4.546 4.633 . 0 0 "[ . 1 . 2]" 1
329 1 8 ALA H 1 40 VAL MG1 . . 5.220 3.435 2.206 4.175 . 0 0 "[ . 1 . 2]" 1
330 1 9 GLY H 1 40 VAL MG1 . . 5.000 3.226 2.847 3.508 . 0 0 "[ . 1 . 2]" 1
331 1 9 GLY H 1 40 VAL MG2 . . 6.230 4.261 3.851 4.806 . 0 0 "[ . 1 . 2]" 1
332 1 10 ASP H 1 40 VAL MG1 . . 5.800 4.065 3.758 4.306 . 0 0 "[ . 1 . 2]" 1
333 1 10 ASP H 1 40 VAL MG2 . . 5.000 3.879 3.447 4.078 . 0 0 "[ . 1 . 2]" 1
334 1 11 ARG H 1 12 ALA MB . . 6.590 4.488 4.160 4.718 . 0 0 "[ . 1 . 2]" 1
335 1 13 GLU H 1 71 VAL MG2 . . 7.020 4.520 4.265 4.965 . 0 0 "[ . 1 . 2]" 1
336 1 13 GLU H 1 71 VAL MG1 . . 6.190 4.551 4.305 4.888 . 0 0 "[ . 1 . 2]" 1
337 1 14 VAL MG1 1 15 THR H . . 4.460 2.890 2.710 3.138 . 0 0 "[ . 1 . 2]" 1
338 1 15 THR H 1 70 THR MG . . 7.020 4.183 3.941 4.393 . 0 0 "[ . 1 . 2]" 1
339 1 15 THR MG 1 16 SER H . . 5.720 4.061 3.795 4.287 . 0 0 "[ . 1 . 2]" 1
340 1 16 SER H 1 70 THR MG . . 6.120 4.061 3.820 4.377 . 0 0 "[ . 1 . 2]" 1
341 1 14 VAL MG1 1 17 VAL H . . 6.230 3.831 2.871 4.288 . 0 0 "[ . 1 . 2]" 1
342 1 18 ALA MB 1 19 ALA H . . 4.500 3.291 2.816 3.515 . 0 0 "[ . 1 . 2]" 1
343 1 20 GLU H 1 23 VAL MG1 . . 6.050 3.877 3.485 4.221 . 0 0 "[ . 1 . 2]" 1
344 1 20 GLU H 1 23 VAL MG2 . . 5.870 3.646 3.421 3.956 . 0 0 "[ . 1 . 2]" 1
345 1 22 ALA H 1 23 VAL MG2 . . 6.800 4.032 3.820 4.186 . 0 0 "[ . 1 . 2]" 1
346 1 23 VAL MG2 1 24 ARG H . . 5.400 3.804 3.667 3.899 . 0 0 "[ . 1 . 2]" 1
347 1 19 ALA MB 1 24 ARG H . . 4.640 3.115 2.848 3.325 . 0 0 "[ . 1 . 2]" 1
348 1 23 VAL MG1 1 25 ARG H . . 7.020 5.034 4.854 5.252 . 0 0 "[ . 1 . 2]" 1
349 1 26 ARG H 1 27 LEU MD2 . . 6.480 5.300 5.127 5.342 . 0 0 "[ . 1 . 2]" 1
350 1 23 VAL MG1 1 26 ARG H . . 6.730 4.614 4.508 4.753 . 0 0 "[ . 1 . 2]" 1
351 1 28 MET H 1 33 VAL MG1 . . 5.900 4.472 4.278 4.701 . 0 0 "[ . 1 . 2]" 1
352 1 29 ASP H 1 33 VAL MG1 . . 6.440 4.814 4.461 5.180 . 0 0 "[ . 1 . 2]" 1
353 1 30 LEU H 1 59 LEU MD1 . . 5.830 4.754 4.462 4.970 . 0 0 "[ . 1 . 2]" 1
354 1 31 GLY H 1 33 VAL MG2 . . 6.730 5.285 4.924 5.473 . 0 0 "[ . 1 . 2]" 1
355 1 32 LEU H 1 33 VAL MG1 . . 5.040 3.664 3.220 3.910 . 0 0 "[ . 1 . 2]" 1
356 1 33 VAL MG2 1 34 ARG H . . 4.570 3.088 2.932 3.254 . 0 0 "[ . 1 . 2]" 1
357 1 14 VAL MG2 1 35 GLY H . . 5.970 4.501 4.176 4.679 . 0 0 "[ . 1 . 2]" 1
358 1 50 ILE MD 1 63 ARG H . . 6.410 4.149 3.762 4.434 . 0 0 "[ . 1 . 2]" 1
359 1 14 VAL MG2 1 36 ALA H . . 5.000 3.897 3.523 4.103 . 0 0 "[ . 1 . 2]" 1
360 1 14 VAL MG2 1 37 LYS H . . 7.020 5.095 4.684 5.378 . 0 0 "[ . 1 . 2]" 1
361 1 50 ILE MD 1 66 ALA H . . 6.010 3.949 3.554 4.268 . 0 0 "[ . 1 . 2]" 1
362 1 66 ALA H 1 69 ILE MD . . 5.900 4.014 3.736 4.283 . 0 0 "[ . 1 . 2]" 1
363 1 12 ALA MB 1 38 LEU H . . 5.970 4.124 3.882 4.291 . 0 0 "[ . 1 . 2]" 1
364 1 61 MET ME 1 66 ALA H . . 5.690 3.612 2.793 4.215 . 0 0 "[ . 1 . 2]" 1
365 1 67 GLU H 1 69 ILE MD . . 7.020 5.071 4.874 5.268 . 0 0 "[ . 1 . 2]" 1
366 1 68 GLY H 1 69 ILE MD . . 6.300 4.998 4.885 5.144 . 0 0 "[ . 1 . 2]" 1
367 1 40 VAL MG1 1 41 LEU H . . 4.820 2.853 2.540 3.209 . 0 0 "[ . 1 . 2]" 1
368 1 42 ARG H 1 50 ILE MG . . 6.120 3.889 3.671 4.035 . 0 0 "[ . 1 . 2]" 1
369 1 40 VAL MG1 1 42 ARG H . . 4.610 3.176 2.908 3.465 . 0 0 "[ . 1 . 2]" 1
370 1 70 THR H 1 71 VAL MG1 . . 5.220 4.057 3.892 4.185 . 0 0 "[ . 1 . 2]" 1
371 1 44 ALA H 1 50 ILE MD . . 7.020 5.550 5.368 5.696 . 0 0 "[ . 1 . 2]" 1
372 1 70 THR MG 1 71 VAL H . . 4.320 2.695 2.538 2.854 . 0 0 "[ . 1 . 2]" 1
373 1 71 VAL MG2 1 72 HIS H . . 5.400 3.427 3.291 3.596 . 0 0 "[ . 1 . 2]" 1
374 1 71 VAL MG1 1 72 HIS H . . 5.040 3.678 3.543 3.765 . 0 0 "[ . 1 . 2]" 1
375 1 44 ALA MB 1 46 LEU H . . 5.610 2.662 2.543 2.766 . 0 0 "[ . 1 . 2]" 1
376 1 73 ILE MG 1 76 GLY H . . 6.980 4.757 2.092 5.681 . 0 0 "[ . 1 . 2]" 1
377 1 75 ALA MB 1 77 ASP H . . 7.020 4.355 2.412 5.645 . 0 0 "[ . 1 . 2]" 1
378 1 2 LYS H 1 71 VAL MG2 . . 6.330 4.396 4.126 4.715 . 0 0 "[ . 1 . 2]" 1
379 1 4 SER H 1 50 ILE MD . . 7.020 4.483 4.216 4.849 . 0 0 "[ . 1 . 2]" 1
380 1 4 SER H 1 71 VAL MG2 . . 7.020 4.820 4.605 5.147 . 0 0 "[ . 1 . 2]" 1
381 1 50 ILE MG 1 51 GLU H . . 4.350 2.467 2.363 2.562 . 0 0 "[ . 1 . 2]" 1
382 1 5 GLU H 1 71 VAL MG2 . . 7.020 4.551 4.319 4.841 . 0 0 "[ . 1 . 2]" 1
383 1 51 GLU H 1 52 VAL MG1 . . 5.900 3.899 3.774 4.124 . 0 0 "[ . 1 . 2]" 1
384 1 6 LEU H 1 71 VAL MG2 . . 7.020 4.493 4.266 4.897 . 0 0 "[ . 1 . 2]" 1
385 1 52 VAL H 1 60 THR MG . . 7.020 4.830 4.442 5.173 . 0 0 "[ . 1 . 2]" 1
386 1 11 ARG H 1 75 ALA MB . . 6.660 4.915 4.132 5.500 . 0 0 "[ . 1 . 2]" 1
387 1 14 VAL H 1 15 THR MG . . 7.020 5.025 4.782 5.732 . 0 0 "[ . 1 . 2]" 1
388 1 15 THR H 1 71 VAL MG2 . . 6.980 5.073 4.838 5.327 . 0 0 "[ . 1 . 2]" 1
389 1 31 GLY H 1 57 MET ME . . 7.020 4.355 2.937 5.402 . 0 0 "[ . 1 . 2]" 1
390 1 36 ALA MB 1 55 ASN H . . 7.020 4.366 4.082 4.771 . 0 0 "[ . 1 . 2]" 1
391 1 33 VAL MG2 1 55 ASN HD21 . . 7.020 4.033 3.316 4.917 . 0 0 "[ . 1 . 2]" 1
392 1 55 ASN HD21 1 57 MET ME . . 7.020 4.261 3.235 5.815 . 0 0 "[ . 1 . 2]" 1
393 1 36 ALA MB 1 55 ASN HD22 . . 5.070 2.658 1.690 3.716 . 0 0 "[ . 1 . 2]" 1
394 1 57 MET H 1 59 LEU MD2 . . 7.020 3.899 3.539 4.205 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL MG1 1 62 ARG H . . 7.020 5.179 3.975 5.694 . 0 0 "[ . 1 . 2]" 1
396 1 64 ASN H 1 66 ALA MB . . 7.020 4.795 4.516 5.070 . 0 0 "[ . 1 . 2]" 1
397 1 12 ALA HA 1 13 GLU H . . 3.190 2.358 2.184 2.497 . 0 0 "[ . 1 . 2]" 1
398 1 2 LYS H 1 2 LYS HB3 . . 4.130 3.543 3.443 3.655 . 0 0 "[ . 1 . 2]" 1
399 1 39 LYS HA 1 40 VAL H . . 3.160 2.162 2.123 2.186 . 0 0 "[ . 1 . 2]" 1
400 1 13 GLU HA 1 14 VAL H . . 2.980 2.185 2.151 2.244 . 0 0 "[ . 1 . 2]" 1
401 1 26 ARG HA 1 29 ASP HB3 . . 4.560 3.333 2.170 4.484 . 0 0 "[ . 1 . 2]" 1
402 1 29 ASP HB3 1 30 LEU H . . 4.240 3.074 2.497 3.685 . 0 0 "[ . 1 . 2]" 1
403 1 26 ARG HA 1 29 ASP HB2 . . 3.950 2.989 2.366 3.598 . 0 0 "[ . 1 . 2]" 1
404 1 29 ASP HB2 1 30 LEU H . . 3.950 3.508 2.858 4.023 0.073 12 0 "[ . 1 . 2]" 1
405 1 51 GLU H 1 51 GLU HB2 . . 3.700 2.544 2.458 2.641 . 0 0 "[ . 1 . 2]" 1
406 1 51 GLU HB2 1 52 VAL H . . 5.100 4.260 4.154 4.348 . 0 0 "[ . 1 . 2]" 1
407 1 2 LYS HB2 1 3 LEU H . . 4.420 3.979 3.463 4.202 . 0 0 "[ . 1 . 2]" 1
408 1 53 ASN H 1 53 ASN HB2 . . 3.980 2.826 2.673 3.006 . 0 0 "[ . 1 . 2]" 1
409 1 53 ASN HB2 1 54 CYS H . . 4.740 4.488 4.426 4.539 . 0 0 "[ . 1 . 2]" 1
410 1 60 THR HA 1 61 MET H . . 3.050 2.147 2.100 2.177 . 0 0 "[ . 1 . 2]" 1
411 1 65 GLU HB2 1 66 ALA H . . 3.730 2.638 2.470 2.880 . 0 0 "[ . 1 . 2]" 1
412 1 43 PHE H 1 43 PHE HB3 . . 4.090 3.702 3.611 3.766 . 0 0 "[ . 1 . 2]" 1
413 1 43 PHE HB3 1 44 ALA H . . 4.060 2.894 2.551 3.252 . 0 0 "[ . 1 . 2]" 1
414 1 43 PHE H 1 43 PHE HB2 . . 3.620 2.540 2.379 2.631 . 0 0 "[ . 1 . 2]" 1
415 1 21 PRO HA 1 24 ARG HB2 . . 4.310 3.768 3.002 4.259 . 0 0 "[ . 1 . 2]" 1
416 1 21 PRO HA 1 24 ARG HB3 . . 3.800 2.945 2.474 3.343 . 0 0 "[ . 1 . 2]" 1
417 1 46 LEU HB2 1 47 GLY H . . 4.920 3.704 2.696 3.905 . 0 0 "[ . 1 . 2]" 1
418 1 46 LEU H 1 46 LEU HB2 . . 3.840 2.688 2.533 2.756 . 0 0 "[ . 1 . 2]" 1
419 1 51 GLU HB3 1 52 VAL H . . 4.810 3.459 3.272 3.621 . 0 0 "[ . 1 . 2]" 1
420 1 63 ARG HB2 1 64 ASN H . . 4.240 3.973 3.810 4.075 . 0 0 "[ . 1 . 2]" 1
421 1 40 VAL H 1 40 VAL HB . . 3.550 2.526 2.441 2.579 . 0 0 "[ . 1 . 2]" 1
422 1 3 LEU HB2 1 4 SER H . . 5.140 3.997 3.921 4.056 . 0 0 "[ . 1 . 2]" 1
423 1 23 VAL H 1 23 VAL HB . . 3.190 2.469 2.353 2.560 . 0 0 "[ . 1 . 2]" 1
424 1 24 ARG HB2 1 25 ARG H . . 4.630 3.782 3.627 3.977 . 0 0 "[ . 1 . 2]" 1
425 1 32 LEU HA 1 33 VAL H . . 2.870 2.220 2.169 2.291 . 0 0 "[ . 1 . 2]" 1
426 1 32 LEU HB3 1 33 VAL H . . 5.460 4.345 4.307 4.400 . 0 0 "[ . 1 . 2]" 1
427 1 32 LEU H 1 32 LEU HB3 . . 3.980 2.734 2.649 2.809 . 0 0 "[ . 1 . 2]" 1
428 1 10 ASP HA 1 11 ARG H . . 2.980 2.199 2.091 2.420 . 0 0 "[ . 1 . 2]" 1
429 1 57 MET HA 1 58 LEU H . . 2.900 2.157 2.123 2.241 . 0 0 "[ . 1 . 2]" 1
430 1 33 VAL HB 1 34 ARG H . . 3.160 2.069 1.897 2.243 . 0 0 "[ . 1 . 2]" 1
431 1 59 LEU HB3 1 60 THR H . . 3.950 3.355 2.748 3.961 0.011 17 0 "[ . 1 . 2]" 1
432 1 24 ARG HB3 1 25 ARG H . . 4.090 2.504 2.310 2.760 . 0 0 "[ . 1 . 2]" 1
433 1 30 LEU H 1 30 LEU HB2 . . 3.980 2.439 2.399 2.496 . 0 0 "[ . 1 . 2]" 1
434 1 38 LEU HB2 1 39 LYS H . . 3.770 2.628 2.283 2.845 . 0 0 "[ . 1 . 2]" 1
435 1 42 ARG HB3 1 43 PHE H . . 4.270 3.281 2.463 3.805 . 0 0 "[ . 1 . 2]" 1
436 1 10 ASP H 1 10 ASP HB3 . . 3.800 3.493 3.047 3.683 . 0 0 "[ . 1 . 2]" 1
437 1 10 ASP HB3 1 11 ARG H . . 3.880 3.075 2.708 3.661 . 0 0 "[ . 1 . 2]" 1
438 1 38 LEU HA 1 39 LYS H . . 3.120 2.279 2.192 2.385 . 0 0 "[ . 1 . 2]" 1
439 1 32 LEU HB2 1 33 VAL H . . 5.460 4.603 4.546 4.641 . 0 0 "[ . 1 . 2]" 1
440 1 32 LEU H 1 32 LEU HB2 . . 3.980 2.484 2.340 2.714 . 0 0 "[ . 1 . 2]" 1
441 1 69 ILE H 1 69 ILE HB . . 3.300 2.562 2.503 2.634 . 0 0 "[ . 1 . 2]" 1
442 1 24 ARG HA 1 27 LEU HB3 . . 5.170 4.509 4.117 5.177 0.007 9 0 "[ . 1 . 2]" 1
443 1 27 LEU H 1 27 LEU HB3 . . 3.660 3.592 3.584 3.601 . 0 0 "[ . 1 . 2]" 1
444 1 24 ARG HA 1 27 LEU HB2 . . 4.740 2.907 2.574 3.532 . 0 0 "[ . 1 . 2]" 1
445 1 65 GLU H 1 65 GLU HB3 . . 3.880 3.596 3.552 3.631 . 0 0 "[ . 1 . 2]" 1
446 1 65 GLU HB3 1 66 ALA H . . 4.240 3.661 3.314 3.931 . 0 0 "[ . 1 . 2]" 1
447 1 42 ARG HB2 1 43 PHE H . . 4.270 3.817 2.340 4.184 . 0 0 "[ . 1 . 2]" 1
448 1 59 LEU HB2 1 60 THR H . . 3.950 3.567 2.728 4.048 0.098 9 0 "[ . 1 . 2]" 1
449 1 34 ARG HA 1 35 GLY H . . 2.900 2.139 2.122 2.153 . 0 0 "[ . 1 . 2]" 1
450 1 69 ILE HA 1 70 THR H . . 3.010 2.120 2.099 2.134 . 0 0 "[ . 1 . 2]" 1
451 1 53 ASN HB3 1 54 CYS H . . 5.280 4.396 4.323 4.455 . 0 0 "[ . 1 . 2]" 1
452 1 41 LEU HB3 1 42 ARG H . . 3.770 3.322 3.181 3.551 . 0 0 "[ . 1 . 2]" 1
453 1 17 VAL HA 1 18 ALA H . . 3.010 2.166 2.134 2.199 . 0 0 "[ . 1 . 2]" 1
454 1 37 LYS HB3 1 38 LEU H . . 4.270 3.307 3.178 3.477 . 0 0 "[ . 1 . 2]" 1
455 1 1 MET HA 1 2 LYS H . . 3.120 2.273 2.137 2.879 . 0 0 "[ . 1 . 2]" 1
456 1 62 ARG H 1 62 ARG HB2 . . 4.090 2.594 2.429 2.772 . 0 0 "[ . 1 . 2]" 1
457 1 62 ARG HB2 1 63 ARG H . . 4.990 3.588 3.352 3.846 . 0 0 "[ . 1 . 2]" 1
458 1 20 GLU H 1 20 GLU HB2 . . 3.410 2.366 2.034 2.663 . 0 0 "[ . 1 . 2]" 1
459 1 10 ASP HB2 1 11 ARG H . . 4.420 4.153 3.937 4.498 0.078 3 0 "[ . 1 . 2]" 1
460 1 30 LEU H 1 30 LEU HB3 . . 3.620 3.596 3.584 3.619 . 0 0 "[ . 1 . 2]" 1
461 1 30 LEU HB3 1 31 GLY H . . 5.210 3.679 3.108 4.353 . 0 0 "[ . 1 . 2]" 1
462 1 2 LYS HA 1 3 LEU H . . 3.260 2.260 2.207 2.310 . 0 0 "[ . 1 . 2]" 1
463 1 21 PRO HB3 1 22 ALA H . . 4.340 4.000 3.869 4.126 . 0 0 "[ . 1 . 2]" 1
464 1 37 LYS HB2 1 38 LEU H . . 4.270 4.167 3.964 4.277 0.007 10 0 "[ . 1 . 2]" 1
465 1 37 LYS H 1 37 LYS HB2 . . 3.950 2.541 2.363 2.815 . 0 0 "[ . 1 . 2]" 1
466 1 37 LYS HA 1 38 LEU H . . 2.980 2.164 2.101 2.198 . 0 0 "[ . 1 . 2]" 1
467 1 53 ASN HA 1 54 CYS H . . 3.050 2.175 2.160 2.195 . 0 0 "[ . 1 . 2]" 1
468 1 73 ILE HB 1 74 LEU H . . 4.490 4.185 4.047 4.374 . 0 0 "[ . 1 . 2]" 1
469 1 15 THR HB 1 16 SER H . . 4.340 3.630 3.061 3.901 . 0 0 "[ . 1 . 2]" 1
470 1 74 LEU HA 1 75 ALA H . . 2.980 2.359 2.233 2.686 . 0 0 "[ . 1 . 2]" 1
471 1 63 ARG HB3 1 64 ASN H . . 3.800 2.775 2.540 2.964 . 0 0 "[ . 1 . 2]" 1
472 1 63 ARG H 1 63 ARG HB3 . . 3.700 2.547 2.341 2.688 . 0 0 "[ . 1 . 2]" 1
473 1 50 ILE HB 1 51 GLU H . . 5.350 4.006 3.925 4.084 . 0 0 "[ . 1 . 2]" 1
474 1 50 ILE H 1 50 ILE HB . . 3.840 2.683 2.610 2.756 . 0 0 "[ . 1 . 2]" 1
475 1 64 ASN H 1 64 ASN HB3 . . 3.730 2.782 2.281 3.587 . 0 0 "[ . 1 . 2]" 1
476 1 73 ILE HA 1 74 LEU H . . 2.980 2.140 2.104 2.170 . 0 0 "[ . 1 . 2]" 1
477 1 2 LYS HA 1 71 VAL H . . 4.130 3.326 3.052 3.780 . 0 0 "[ . 1 . 2]" 1
478 1 3 LEU HA 1 6 LEU H . . 5.210 3.669 3.453 3.947 . 0 0 "[ . 1 . 2]" 1
479 1 3 LEU HA 1 5 GLU H . . 5.350 3.707 3.596 3.852 . 0 0 "[ . 1 . 2]" 1
480 1 2 LYS HA 1 3 LEU HB3 . . 5.890 4.648 4.513 4.757 . 0 0 "[ . 1 . 2]" 1
481 1 2 LYS HA 1 3 LEU HB2 . . 6.000 4.602 4.496 4.685 . 0 0 "[ . 1 . 2]" 1
482 1 4 SER HA 1 67 GLU H . . 5.500 5.413 5.087 5.573 0.073 5 0 "[ . 1 . 2]" 1
483 1 6 LEU HA 1 10 ASP HB3 . . 5.750 4.433 3.869 5.183 . 0 0 "[ . 1 . 2]" 1
484 1 7 LYS H 1 10 ASP HB3 . . 4.670 3.529 2.783 4.371 . 0 0 "[ . 1 . 2]" 1
485 1 13 GLU HA 1 38 LEU H . . 4.060 3.282 2.915 3.693 . 0 0 "[ . 1 . 2]" 1
486 1 14 VAL HA 1 71 VAL HA . . 3.770 2.466 2.137 2.643 . 0 0 "[ . 1 . 2]" 1
487 1 13 GLU HA 1 14 VAL HB . . 4.810 4.713 4.658 4.752 . 0 0 "[ . 1 . 2]" 1
488 1 17 VAL HA 1 69 ILE HA . . 3.980 2.087 1.949 2.333 . 0 0 "[ . 1 . 2]" 1
489 1 17 VAL HA 1 70 THR H . . 4.310 3.067 2.674 3.352 . 0 0 "[ . 1 . 2]" 1
490 1 20 GLU HB3 1 23 VAL H . . 5.460 3.113 2.029 3.897 . 0 0 "[ . 1 . 2]" 1
491 1 20 GLU HB3 1 22 ALA H . . 5.890 3.317 2.764 3.861 . 0 0 "[ . 1 . 2]" 1
492 1 20 GLU HB2 1 23 VAL H . . 4.130 3.313 2.493 4.262 0.132 14 0 "[ . 1 . 2]" 1
493 1 20 GLU HA 1 21 PRO HB3 . . 5.890 5.191 5.037 5.324 . 0 0 "[ . 1 . 2]" 1
494 1 22 ALA HA 1 25 ARG H . . 3.770 3.701 3.452 3.865 0.095 13 0 "[ . 1 . 2]" 1
495 1 22 ALA HA 1 23 VAL HA . . 5.140 4.742 4.711 4.782 . 0 0 "[ . 1 . 2]" 1
496 1 23 VAL HA 1 25 ARG H . . 5.420 4.448 4.213 4.701 . 0 0 "[ . 1 . 2]" 1
497 1 23 VAL HA 1 27 LEU H . . 4.740 4.165 3.847 4.606 . 0 0 "[ . 1 . 2]" 1
498 1 23 VAL HB 1 24 ARG HA . . 4.920 4.281 4.188 4.463 . 0 0 "[ . 1 . 2]" 1
499 1 25 ARG HA 1 29 ASP H . . 5.060 3.900 3.547 4.224 . 0 0 "[ . 1 . 2]" 1
500 1 25 ARG HA 1 28 MET H . . 4.310 3.332 2.927 3.743 . 0 0 "[ . 1 . 2]" 1
501 1 26 ARG HA 1 29 ASP H . . 4.020 3.485 3.144 3.791 . 0 0 "[ . 1 . 2]" 1
502 1 27 LEU HA 1 30 LEU H . . 4.160 3.420 3.200 3.650 . 0 0 "[ . 1 . 2]" 1
503 1 27 LEU HA 1 32 LEU H . . 5.140 4.133 3.964 4.328 . 0 0 "[ . 1 . 2]" 1
504 1 28 MET HA 1 31 GLY H . . 4.270 3.317 2.960 3.658 . 0 0 "[ . 1 . 2]" 1
505 1 28 MET HA 1 32 LEU H . . 3.800 2.888 2.466 3.308 . 0 0 "[ . 1 . 2]" 1
506 1 28 MET H 1 29 ASP HB2 . . 5.600 4.734 4.451 5.125 . 0 0 "[ . 1 . 2]" 1
507 1 27 LEU HA 1 30 LEU HB2 . . 4.600 2.871 2.519 3.190 . 0 0 "[ . 1 . 2]" 1
508 1 30 LEU HB2 1 32 LEU H . . 5.240 3.193 2.903 3.523 . 0 0 "[ . 1 . 2]" 1
509 1 27 LEU HA 1 30 LEU HB3 . . 4.920 4.455 4.137 4.815 . 0 0 "[ . 1 . 2]" 1
510 1 30 LEU HB3 1 32 LEU H . . 4.880 4.360 4.055 4.723 . 0 0 "[ . 1 . 2]" 1
511 1 30 LEU H 1 31 GLY HA2 . . 4.850 4.853 4.776 4.898 0.048 15 0 "[ . 1 . 2]" 1
512 1 33 VAL HB 1 34 ARG HA . . 5.750 4.612 4.535 4.670 . 0 0 "[ . 1 . 2]" 1
513 1 34 ARG HA 1 36 ALA H . . 4.130 3.348 3.243 3.577 . 0 0 "[ . 1 . 2]" 1
514 1 14 VAL H 1 34 ARG HA . . 5.600 4.925 4.626 5.403 . 0 0 "[ . 1 . 2]" 1
515 1 15 THR H 1 34 ARG HA . . 5.780 4.933 4.516 5.541 . 0 0 "[ . 1 . 2]" 1
516 1 13 GLU HA 1 37 LYS HA . . 3.550 2.256 1.909 2.696 . 0 0 "[ . 1 . 2]" 1
517 1 38 LEU HA 1 54 CYS HA . . 3.800 2.325 2.109 2.695 . 0 0 "[ . 1 . 2]" 1
518 1 38 LEU HA 1 39 LYS HA . . 5.390 4.420 4.383 4.472 . 0 0 "[ . 1 . 2]" 1
519 1 37 LYS HA 1 38 LEU HB3 . . 5.600 4.506 4.321 4.787 . 0 0 "[ . 1 . 2]" 1
520 1 40 VAL HA 1 42 ARG H . . 4.490 4.331 4.070 4.504 0.014 17 0 "[ . 1 . 2]" 1
521 1 43 PHE HB3 1 47 GLY H . . 4.990 3.550 2.969 4.355 . 0 0 "[ . 1 . 2]" 1
522 1 43 PHE HB2 1 47 GLY H . . 5.680 4.544 3.836 4.949 . 0 0 "[ . 1 . 2]" 1
523 1 45 PRO HA 1 47 GLY H . . 5.140 3.986 3.860 4.829 . 0 0 "[ . 1 . 2]" 1
524 1 46 LEU HB3 1 48 ASP H . . 4.880 3.949 3.623 4.430 . 0 0 "[ . 1 . 2]" 1
525 1 43 PHE HB2 1 47 GLY HA2 . . 5.170 3.691 2.838 4.147 . 0 0 "[ . 1 . 2]" 1
526 1 43 PHE HB3 1 47 GLY HA2 . . 4.450 2.368 1.715 3.300 . 0 0 "[ . 1 . 2]" 1
527 1 48 ASP HB2 1 49 PRO HA . . 5.570 3.621 3.392 3.914 . 0 0 "[ . 1 . 2]" 1
528 1 48 ASP HB3 1 49 PRO HA . . 5.570 4.139 3.937 4.294 . 0 0 "[ . 1 . 2]" 1
529 1 49 PRO HA 1 62 ARG HA . . 4.270 2.517 2.213 2.948 . 0 0 "[ . 1 . 2]" 1
530 1 48 ASP HA 1 49 PRO HA . . 3.340 2.040 1.856 2.115 . 0 0 "[ . 1 . 2]" 1
531 1 43 PHE HA 1 50 ILE HA . . 3.880 2.532 2.224 2.736 . 0 0 "[ . 1 . 2]" 1
532 1 44 ALA H 1 50 ILE HA . . 4.240 3.304 3.177 3.444 . 0 0 "[ . 1 . 2]" 1
533 1 48 ASP HA 1 50 ILE HB . . 5.780 5.207 5.003 5.559 . 0 0 "[ . 1 . 2]" 1
534 1 49 PRO HA 1 50 ILE HB . . 5.930 4.770 4.671 4.895 . 0 0 "[ . 1 . 2]" 1
535 1 51 GLU HA 1 60 THR HA . . 3.700 2.549 2.126 2.945 . 0 0 "[ . 1 . 2]" 1
536 1 40 VAL HA 1 52 VAL HA . . 3.840 2.528 2.243 2.701 . 0 0 "[ . 1 . 2]" 1
537 1 53 ASN HA 1 58 LEU HA . . 3.840 2.306 2.031 2.731 . 0 0 "[ . 1 . 2]" 1
538 1 53 ASN HA 1 59 LEU H . . 4.240 3.191 2.962 3.502 . 0 0 "[ . 1 . 2]" 1
539 1 52 VAL HA 1 53 ASN HB3 . . 5.750 4.690 4.583 4.804 . 0 0 "[ . 1 . 2]" 1
540 1 52 VAL HA 1 53 ASN HB2 . . 5.780 4.504 4.377 4.645 . 0 0 "[ . 1 . 2]" 1
541 1 53 ASN HA 1 54 CYS HB3 . . 5.390 4.706 4.599 4.791 . 0 0 "[ . 1 . 2]" 1
542 1 52 VAL H 1 60 THR HA . . 4.630 3.421 3.106 3.624 . 0 0 "[ . 1 . 2]" 1
543 1 62 ARG HB3 1 65 GLU H . . 4.920 4.006 3.360 4.372 . 0 0 "[ . 1 . 2]" 1
544 1 62 ARG HB2 1 65 GLU H . . 3.880 2.876 2.369 3.215 . 0 0 "[ . 1 . 2]" 1
545 1 62 ARG HA 1 63 ARG HB2 . . 5.860 4.607 4.392 4.787 . 0 0 "[ . 1 . 2]" 1
546 1 65 GLU HA 1 68 GLY H . . 4.920 3.546 3.195 3.824 . 0 0 "[ . 1 . 2]" 1
547 1 62 ARG H 1 65 GLU HB2 . . 4.160 3.217 2.845 4.159 . 0 0 "[ . 1 . 2]" 1
548 1 66 ALA HA 1 68 GLY H . . 5.680 4.277 4.089 4.423 . 0 0 "[ . 1 . 2]" 1
549 1 66 ALA HA 1 69 ILE H . . 4.340 3.179 3.017 3.418 . 0 0 "[ . 1 . 2]" 1
550 1 4 SER H 1 67 GLU HA . . 4.700 3.354 2.919 3.635 . 0 0 "[ . 1 . 2]" 1
551 1 66 ALA HA 1 69 ILE HB . . 4.420 2.642 2.327 2.967 . 0 0 "[ . 1 . 2]" 1
552 1 2 LYS HA 1 70 THR HA . . 3.730 2.501 2.278 2.780 . 0 0 "[ . 1 . 2]" 1
553 1 16 SER H 1 71 VAL HA . . 4.420 4.067 3.907 4.359 . 0 0 "[ . 1 . 2]" 1
554 1 15 THR H 1 71 VAL HA . . 3.480 2.347 2.104 2.631 . 0 0 "[ . 1 . 2]" 1
555 1 12 ALA HA 1 73 ILE HA . . 3.550 2.266 2.153 2.733 . 0 0 "[ . 1 . 2]" 1
556 1 13 GLU H 1 73 ILE HA . . 4.520 3.750 3.613 3.975 . 0 0 "[ . 1 . 2]" 1
557 1 96 ARG HB3 1 97 ALA H . . 5.210 4.041 2.470 4.464 . 0 0 "[ . 1 . 2]" 1
558 1 96 ARG HB2 1 97 ALA H . . 5.210 3.847 2.232 4.627 . 0 0 "[ . 1 . 2]" 1
559 1 2 LYS HA 1 4 SER H . . 4.880 3.902 3.730 4.099 . 0 0 "[ . 1 . 2]" 1
560 1 14 VAL HA 1 35 GLY H . . 5.680 4.767 4.648 4.928 . 0 0 "[ . 1 . 2]" 1
561 1 21 PRO HA 1 23 VAL H . . 5.280 4.593 4.334 4.865 . 0 0 "[ . 1 . 2]" 1
562 1 23 VAL H 1 24 ARG HB3 . . 4.810 4.734 4.523 4.852 0.042 7 0 "[ . 1 . 2]" 1
563 1 27 LEU HA 1 29 ASP H . . 5.570 4.356 4.185 4.614 . 0 0 "[ . 1 . 2]" 1
564 1 27 LEU HB2 1 28 MET HA . . 5.460 4.273 4.197 4.352 . 0 0 "[ . 1 . 2]" 1
565 1 28 MET H 1 29 ASP HB3 . . 5.930 5.359 4.675 6.015 0.085 13 0 "[ . 1 . 2]" 1
566 1 30 LEU HB2 1 31 GLY HA2 . . 5.820 5.038 4.716 5.650 . 0 0 "[ . 1 . 2]" 1
567 1 31 GLY HA2 1 32 LEU HA . . 5.600 4.611 4.495 4.741 . 0 0 "[ . 1 . 2]" 1
568 1 28 MET HA 1 32 LEU HA . . 5.390 4.550 4.209 4.864 . 0 0 "[ . 1 . 2]" 1
569 1 33 VAL HB 1 36 ALA H . . 5.710 5.068 4.810 5.333 . 0 0 "[ . 1 . 2]" 1
570 1 16 SER H 1 34 ARG HA . . 5.500 4.893 4.419 5.171 . 0 0 "[ . 1 . 2]" 1
571 1 8 ALA HA 1 42 ARG HA . . 4.960 3.972 2.686 4.762 . 0 0 "[ . 1 . 2]" 1
572 1 43 PHE HB3 1 47 GLY HA3 . . 6.000 4.084 3.404 4.840 . 0 0 "[ . 1 . 2]" 1
573 1 49 PRO HA 1 50 ILE HA . . 5.750 4.461 4.415 4.498 . 0 0 "[ . 1 . 2]" 1
574 1 51 GLU HB2 1 52 VAL HA . . 6.000 4.723 4.624 4.818 . 0 0 "[ . 1 . 2]" 1
575 1 52 VAL HB 1 54 CYS H . . 5.960 4.681 4.497 4.889 . 0 0 "[ . 1 . 2]" 1
576 1 65 GLU HB2 1 66 ALA HA . . 5.280 4.253 3.880 4.474 . 0 0 "[ . 1 . 2]" 1
577 1 12 ALA H 1 73 ILE HA . . 5.500 4.672 4.460 5.171 . 0 0 "[ . 1 . 2]" 1
578 1 6 LEU H 1 6 LEU HG . . 4.060 2.608 2.355 2.884 . 0 0 "[ . 1 . 2]" 1
579 1 80 HIS HA 1 81 PRO HD3 . . 3.370 2.234 1.888 2.874 . 0 0 "[ . 1 . 2]" 1
580 1 53 ASN HB2 1 53 ASN HD21 . . 3.480 2.399 2.201 2.941 . 0 0 "[ . 1 . 2]" 1
581 1 65 GLU H 1 65 GLU HG2 . . 4.340 3.274 1.924 4.246 . 0 0 "[ . 1 . 2]" 1
582 1 65 GLU HA 1 65 GLU HG2 . . 4.060 3.175 2.564 3.720 . 0 0 "[ . 1 . 2]" 1
583 1 26 ARG HA 1 26 ARG HG3 . . 3.840 2.845 2.397 3.639 . 0 0 "[ . 1 . 2]" 1
584 1 84 TRP HA 1 85 PRO HD2 . . 3.410 2.477 2.037 3.002 . 0 0 "[ . 1 . 2]" 1
585 1 3 LEU HB2 1 3 LEU HG . . 2.980 3.011 3.007 3.017 0.037 20 0 "[ . 1 . 2]" 1
586 1 30 LEU H 1 30 LEU HG . . 4.020 2.428 2.285 2.640 . 0 0 "[ . 1 . 2]" 1
587 1 7 LYS H 1 7 LYS HG3 . . 4.020 2.953 1.913 4.032 0.012 18 0 "[ . 1 . 2]" 1
588 1 20 GLU HA 1 21 PRO HD3 . . 2.720 2.513 2.369 2.591 . 0 0 "[ . 1 . 2]" 1
589 1 20 GLU HA 1 21 PRO HD2 . . 3.190 2.173 2.077 2.280 . 0 0 "[ . 1 . 2]" 1
590 1 32 LEU HA 1 32 LEU HG . . 4.160 2.430 2.409 2.463 . 0 0 "[ . 1 . 2]" 1
591 1 32 LEU H 1 32 LEU HG . . 4.600 4.455 4.363 4.576 . 0 0 "[ . 1 . 2]" 1
592 1 65 GLU H 1 65 GLU HG3 . . 4.340 3.116 2.033 3.853 . 0 0 "[ . 1 . 2]" 1
593 1 65 GLU HA 1 65 GLU HG3 . . 4.060 3.010 2.234 3.861 . 0 0 "[ . 1 . 2]" 1
594 1 67 GLU HA 1 67 GLU HG3 . . 4.200 3.520 2.992 3.823 . 0 0 "[ . 1 . 2]" 1
595 1 2 LYS H 1 2 LYS HG2 . . 4.670 3.993 2.125 4.304 . 0 0 "[ . 1 . 2]" 1
596 1 27 LEU H 1 27 LEU HG . . 3.800 2.277 2.137 2.386 . 0 0 "[ . 1 . 2]" 1
597 1 80 HIS HA 1 81 PRO HD2 . . 3.370 2.548 2.004 3.037 . 0 0 "[ . 1 . 2]" 1
598 1 67 GLU H 1 67 GLU HG2 . . 4.020 2.772 2.139 3.540 . 0 0 "[ . 1 . 2]" 1
599 1 67 GLU HA 1 67 GLU HG2 . . 4.200 2.661 2.476 2.841 . 0 0 "[ . 1 . 2]" 1
600 1 3 LEU HA 1 3 LEU HG . . 4.240 3.322 3.242 3.439 . 0 0 "[ . 1 . 2]" 1
601 1 11 ARG HA 1 11 ARG HG3 . . 4.200 2.766 2.424 3.530 . 0 0 "[ . 1 . 2]" 1
602 1 84 TRP HA 1 85 PRO HD3 . . 3.410 2.141 1.738 2.642 . 0 0 "[ . 1 . 2]" 1
603 1 11 ARG HA 1 11 ARG HG2 . . 4.200 2.964 2.384 3.757 . 0 0 "[ . 1 . 2]" 1
604 1 11 ARG H 1 11 ARG HG2 . . 4.630 4.265 3.678 4.606 . 0 0 "[ . 1 . 2]" 1
605 1 59 LEU H 1 59 LEU HG . . 4.340 2.710 2.177 4.365 0.025 6 0 "[ . 1 . 2]" 1
606 1 98 LEU H 1 98 LEU HG . . 5.030 3.528 2.402 4.827 . 0 0 "[ . 1 . 2]" 1
607 1 26 ARG HA 1 26 ARG HD2 . . 5.460 4.484 3.981 4.843 . 0 0 "[ . 1 . 2]" 1
608 1 26 ARG H 1 26 ARG HD2 . . 6.000 4.482 3.607 5.221 . 0 0 "[ . 1 . 2]" 1
609 1 46 LEU H 1 46 LEU HG . . 3.980 3.076 2.389 3.230 . 0 0 "[ . 1 . 2]" 1
610 1 58 LEU HA 1 58 LEU HG . . 3.950 2.808 2.396 3.751 . 0 0 "[ . 1 . 2]" 1
611 1 50 ILE H 1 50 ILE HG12 . . 5.500 3.863 3.773 3.948 . 0 0 "[ . 1 . 2]" 1
612 1 50 ILE H 1 50 ILE HG13 . . 4.270 2.687 2.587 2.781 . 0 0 "[ . 1 . 2]" 1
613 1 69 ILE H 1 69 ILE HG12 . . 3.800 3.473 3.300 3.652 . 0 0 "[ . 1 . 2]" 1
614 1 69 ILE HA 1 69 ILE HG12 . . 4.130 2.589 2.503 2.664 . 0 0 "[ . 1 . 2]" 1
615 1 7 LYS H 1 7 LYS HG2 . . 4.020 2.912 2.032 3.843 . 0 0 "[ . 1 . 2]" 1
616 1 62 ARG H 1 62 ARG HG3 . . 4.060 3.708 3.402 3.959 . 0 0 "[ . 1 . 2]" 1
617 1 26 ARG HA 1 26 ARG HD3 . . 5.460 4.420 3.266 4.711 . 0 0 "[ . 1 . 2]" 1
618 1 26 ARG H 1 26 ARG HD3 . . 6.000 4.834 4.186 5.242 . 0 0 "[ . 1 . 2]" 1
619 1 46 LEU HA 1 46 LEU HG . . 4.270 3.104 3.042 3.187 . 0 0 "[ . 1 . 2]" 1
620 1 20 GLU HB2 1 21 PRO HD3 . . 4.920 4.969 4.897 5.070 0.150 12 0 "[ . 1 . 2]" 1
621 1 20 GLU HB2 1 21 PRO HD2 . . 4.420 3.797 3.641 4.122 . 0 0 "[ . 1 . 2]" 1
622 1 2 LYS HA 1 2 LYS HD2 . . 4.560 2.696 2.279 3.867 . 0 0 "[ . 1 . 2]" 1
623 1 2 LYS HA 1 2 LYS HD3 . . 4.560 3.568 2.805 3.770 . 0 0 "[ . 1 . 2]" 1
624 1 55 ASN HB2 1 55 ASN HD21 . . 3.410 2.299 2.192 2.909 . 0 0 "[ . 1 . 2]" 1
625 1 62 ARG H 1 62 ARG HG2 . . 4.060 2.534 2.060 4.068 0.008 7 0 "[ . 1 . 2]" 1
626 1 67 GLU H 1 67 GLU HG3 . . 4.020 3.086 2.109 3.875 . 0 0 "[ . 1 . 2]" 1
627 1 2 LYS H 1 2 LYS HG3 . . 4.670 4.014 3.669 4.271 . 0 0 "[ . 1 . 2]" 1
628 1 3 LEU HA 1 6 LEU HG . . 3.550 2.610 2.070 3.115 . 0 0 "[ . 1 . 2]" 1
629 1 3 LEU HB2 1 69 ILE HB . . 4.130 2.502 2.344 2.743 . 0 0 "[ . 1 . 2]" 1
630 1 3 LEU HB2 1 66 ALA HA . . 5.530 3.961 3.651 4.421 . 0 0 "[ . 1 . 2]" 1
631 1 3 LEU HB2 1 69 ILE H . . 6.000 4.810 4.582 5.081 . 0 0 "[ . 1 . 2]" 1
632 1 3 LEU HG 1 4 SER H . . 4.560 3.938 3.835 4.064 . 0 0 "[ . 1 . 2]" 1
633 1 6 LEU HG 1 10 ASP HB2 . . 5.420 5.208 4.569 5.532 0.112 1 0 "[ . 1 . 2]" 1
634 1 6 LEU HG 1 7 LYS H . . 4.880 4.694 4.417 4.899 0.019 17 0 "[ . 1 . 2]" 1
635 1 7 LYS HG2 1 8 ALA H . . 6.000 4.590 3.729 5.437 . 0 0 "[ . 1 . 2]" 1
636 1 7 LYS HG3 1 8 ALA H . . 6.000 4.697 3.172 5.171 . 0 0 "[ . 1 . 2]" 1
637 1 8 ALA HA 1 40 VAL HB . . 4.060 2.738 1.984 3.395 . 0 0 "[ . 1 . 2]" 1
638 1 11 ARG HG2 1 12 ALA H . . 5.710 3.952 2.881 5.497 . 0 0 "[ . 1 . 2]" 1
639 1 12 ALA HA 1 74 LEU HG . . 3.620 2.399 2.108 2.812 . 0 0 "[ . 1 . 2]" 1
640 1 14 VAL HA 1 71 VAL HB . . 5.170 3.544 3.262 3.871 . 0 0 "[ . 1 . 2]" 1
641 1 14 VAL HB 1 34 ARG HA . . 4.090 3.124 2.797 3.386 . 0 0 "[ . 1 . 2]" 1
642 1 26 ARG HA 1 26 ARG HG2 . . 3.840 2.741 2.383 3.329 . 0 0 "[ . 1 . 2]" 1
643 1 25 ARG HA 1 28 MET HG2 . . 6.000 4.748 3.984 5.433 . 0 0 "[ . 1 . 2]" 1
644 1 28 MET HG2 1 33 VAL HA . . 6.000 2.852 1.912 3.749 . 0 0 "[ . 1 . 2]" 1
645 1 25 ARG HA 1 28 MET HG3 . . 6.000 3.383 2.715 4.072 . 0 0 "[ . 1 . 2]" 1
646 1 28 MET HG3 1 33 VAL HA . . 6.000 4.365 3.639 5.112 . 0 0 "[ . 1 . 2]" 1
647 1 32 LEU HG 1 33 VAL H . . 5.820 4.190 3.808 4.432 . 0 0 "[ . 1 . 2]" 1
648 1 28 MET HA 1 33 VAL HB . . 5.960 4.962 4.609 5.290 . 0 0 "[ . 1 . 2]" 1
649 1 34 ARG HG2 1 35 GLY H . . 4.700 3.250 2.768 3.641 . 0 0 "[ . 1 . 2]" 1
650 1 54 CYS H 1 59 LEU HG . . 6.000 3.310 2.322 4.416 . 0 0 "[ . 1 . 2]" 1
651 1 38 LEU HA 1 54 CYS HG . . 6.000 5.218 3.512 6.020 0.020 12 0 "[ . 1 . 2]" 1
652 1 38 LEU HA 1 54 CYS HB2 . . 5.100 4.248 3.592 4.823 . 0 0 "[ . 1 . 2]" 1
653 1 38 LEU HA 1 54 CYS HB3 . . 6.000 5.255 4.853 5.684 . 0 0 "[ . 1 . 2]" 1
654 1 38 LEU HB2 1 54 CYS HA . . 5.530 2.737 1.956 3.523 . 0 0 "[ . 1 . 2]" 1
655 1 38 LEU HB2 1 53 ASN HA . . 6.000 4.984 4.743 5.556 . 0 0 "[ . 1 . 2]" 1
656 1 38 LEU HB2 1 54 CYS HB3 . . 6.000 4.551 4.200 5.268 . 0 0 "[ . 1 . 2]" 1
657 1 38 LEU HB3 1 54 CYS HA . . 4.920 2.203 1.763 2.706 . 0 0 "[ . 1 . 2]" 1
658 1 11 ARG HA 1 38 LEU HG . . 6.000 4.981 4.215 5.995 . 0 0 "[ . 1 . 2]" 1
659 1 39 LYS HG2 1 40 VAL H . . 4.200 2.955 2.511 3.257 . 0 0 "[ . 1 . 2]" 1
660 1 39 LYS HG3 1 40 VAL H . . 4.200 3.355 2.911 3.660 . 0 0 "[ . 1 . 2]" 1
661 1 10 ASP H 1 40 VAL HB . . 3.520 2.800 2.472 2.990 . 0 0 "[ . 1 . 2]" 1
662 1 41 LEU HB2 1 52 VAL HA . . 6.000 3.569 3.153 4.153 . 0 0 "[ . 1 . 2]" 1
663 1 41 LEU HB3 1 52 VAL HA . . 6.000 4.910 4.568 5.528 . 0 0 "[ . 1 . 2]" 1
664 1 40 VAL HA 1 41 LEU HG . . 5.750 3.854 3.733 4.042 . 0 0 "[ . 1 . 2]" 1
665 1 41 LEU HG 1 52 VAL HA . . 4.240 2.465 2.124 3.122 . 0 0 "[ . 1 . 2]" 1
666 1 41 LEU HG 1 42 ARG H . . 5.890 4.151 4.022 4.301 . 0 0 "[ . 1 . 2]" 1
667 1 43 PHE HB3 1 50 ILE HG12 . . 6.000 3.841 3.269 4.181 . 0 0 "[ . 1 . 2]" 1
668 1 45 PRO HB3 1 46 LEU HG . . 5.140 4.744 4.313 4.916 . 0 0 "[ . 1 . 2]" 1
669 1 66 ALA HA 1 69 ILE HG12 . . 4.310 4.286 3.914 4.365 0.055 19 0 "[ . 1 . 2]" 1
670 1 48 ASP HB2 1 63 ARG H . . 6.000 3.062 2.708 3.518 . 0 0 "[ . 1 . 2]" 1
671 1 48 ASP HB3 1 63 ARG H . . 6.000 4.359 4.144 4.706 . 0 0 "[ . 1 . 2]" 1
672 1 49 PRO HA 1 50 ILE HG13 . . 5.280 3.246 3.132 3.391 . 0 0 "[ . 1 . 2]" 1
673 1 43 PHE HA 1 50 ILE HB . . 6.000 5.252 4.897 5.481 . 0 0 "[ . 1 . 2]" 1
674 1 43 PHE HA 1 50 ILE HG13 . . 5.530 4.726 4.434 4.833 . 0 0 "[ . 1 . 2]" 1
675 1 48 ASP HA 1 50 ILE HG13 . . 5.460 2.977 2.739 3.392 . 0 0 "[ . 1 . 2]" 1
676 1 50 ILE HG13 1 51 GLU H . . 6.000 5.056 5.007 5.101 . 0 0 "[ . 1 . 2]" 1
677 1 50 ILE HG13 1 63 ARG H . . 6.000 3.815 3.423 4.364 . 0 0 "[ . 1 . 2]" 1
678 1 50 ILE HG12 1 63 ARG HA . . 6.000 4.407 3.979 4.889 . 0 0 "[ . 1 . 2]" 1
679 1 43 PHE HA 1 50 ILE HG12 . . 5.860 3.463 3.153 3.693 . 0 0 "[ . 1 . 2]" 1
680 1 50 ILE HG12 1 51 GLU H . . 4.490 4.447 4.350 4.512 0.022 17 0 "[ . 1 . 2]" 1
681 1 42 ARG H 1 51 GLU HB3 . . 4.780 3.969 3.617 4.232 . 0 0 "[ . 1 . 2]" 1
682 1 42 ARG H 1 51 GLU HB2 . . 3.520 2.550 2.159 2.889 . 0 0 "[ . 1 . 2]" 1
683 1 39 LYS H 1 52 VAL HB . . 6.000 3.983 3.553 4.292 . 0 0 "[ . 1 . 2]" 1
684 1 53 ASN HB3 1 58 LEU HA . . 6.000 5.062 4.774 5.557 . 0 0 "[ . 1 . 2]" 1
685 1 41 LEU HG 1 53 ASN HB2 . . 4.560 3.076 2.585 3.440 . 0 0 "[ . 1 . 2]" 1
686 1 53 ASN HB2 1 58 LEU HA . . 6.000 3.881 3.530 4.457 . 0 0 "[ . 1 . 2]" 1
687 1 54 CYS HG 1 55 ASN HB3 . . 6.000 4.790 3.183 6.005 0.005 20 0 "[ . 1 . 2]" 1
688 1 54 CYS HG 1 55 ASN HB2 . . 5.350 3.439 2.454 4.698 . 0 0 "[ . 1 . 2]" 1
689 1 53 ASN HD21 1 58 LEU HG . . 5.780 3.969 2.634 5.263 . 0 0 "[ . 1 . 2]" 1
690 1 38 LEU HB2 1 52 VAL HB . . 4.600 2.852 2.542 3.369 . 0 0 "[ . 1 . 2]" 1
691 1 40 VAL HA 1 52 VAL HB . . 5.030 3.325 3.037 3.857 . 0 0 "[ . 1 . 2]" 1
692 1 39 LYS HA 1 52 VAL HB . . 5.780 5.252 4.868 5.480 . 0 0 "[ . 1 . 2]" 1
693 1 62 ARG HD2 1 63 ARG H . . 6.000 4.490 3.677 6.124 0.124 4 0 "[ . 1 . 2]" 1
694 1 62 ARG HD3 1 63 ARG H . . 6.000 5.277 4.114 5.741 . 0 0 "[ . 1 . 2]" 1
695 1 48 ASP HB3 1 63 ARG HB2 . . 4.960 4.008 3.695 4.453 . 0 0 "[ . 1 . 2]" 1
696 1 48 ASP HB2 1 63 ARG HB2 . . 4.960 2.277 1.961 2.704 . 0 0 "[ . 1 . 2]" 1
697 1 48 ASP HA 1 63 ARG HB2 . . 5.710 3.176 2.672 3.766 . 0 0 "[ . 1 . 2]" 1
698 1 48 ASP HA 1 63 ARG HB3 . . 6.000 4.418 3.613 5.254 . 0 0 "[ . 1 . 2]" 1
699 1 65 GLU HG2 1 66 ALA H . . 6.000 4.733 3.771 5.284 . 0 0 "[ . 1 . 2]" 1
700 1 62 ARG H 1 65 GLU HG2 . . 6.000 3.919 2.218 4.767 . 0 0 "[ . 1 . 2]" 1
701 1 65 GLU HG3 1 66 ALA H . . 6.000 4.675 4.052 5.198 . 0 0 "[ . 1 . 2]" 1
702 1 62 ARG H 1 65 GLU HG3 . . 6.000 3.926 2.328 5.428 . 0 0 "[ . 1 . 2]" 1
703 1 66 ALA HA 1 69 ILE HG13 . . 4.310 2.887 2.535 2.987 . 0 0 "[ . 1 . 2]" 1
704 1 3 LEU HB3 1 66 ALA HA . . 4.270 2.532 2.221 2.933 . 0 0 "[ . 1 . 2]" 1
705 1 64 ASN HA 1 67 GLU HG2 . . 4.490 3.883 2.780 4.553 0.063 19 0 "[ . 1 . 2]" 1
706 1 64 ASN HA 1 67 GLU HG3 . . 4.490 2.996 1.790 3.805 . 0 0 "[ . 1 . 2]" 1
707 1 3 LEU HA 1 69 ILE HB . . 6.000 4.666 4.540 4.815 . 0 0 "[ . 1 . 2]" 1
708 1 3 LEU H 1 69 ILE HB . . 4.630 3.144 2.970 3.298 . 0 0 "[ . 1 . 2]" 1
709 1 68 GLY H 1 69 ILE HG13 . . 6.000 3.918 3.816 4.045 . 0 0 "[ . 1 . 2]" 1
710 1 69 ILE HG13 1 70 THR H . . 6.000 5.041 4.980 5.099 . 0 0 "[ . 1 . 2]" 1
711 1 16 SER H 1 70 THR HB . . 3.950 2.969 2.606 3.504 . 0 0 "[ . 1 . 2]" 1
712 1 15 THR H 1 70 THR HB . . 5.640 4.151 3.832 4.616 . 0 0 "[ . 1 . 2]" 1
713 1 3 LEU HG 1 4 SER HA . . 6.000 3.940 3.821 4.069 . 0 0 "[ . 1 . 2]" 1
714 1 14 VAL HB 1 35 GLY HA2 . . 6.000 5.062 4.655 5.316 . 0 0 "[ . 1 . 2]" 1
715 1 14 VAL HB 1 32 LEU HA . . 6.000 4.944 4.606 5.331 . 0 0 "[ . 1 . 2]" 1
716 1 24 ARG HA 1 27 LEU HG . . 4.780 3.415 2.830 3.961 . 0 0 "[ . 1 . 2]" 1
717 1 27 LEU HG 1 28 MET H . . 6.000 4.295 4.181 4.408 . 0 0 "[ . 1 . 2]" 1
718 1 32 LEU HA 1 54 CYS HG . . 5.890 2.821 2.072 3.880 . 0 0 "[ . 1 . 2]" 1
719 1 12 ALA H 1 38 LEU HB2 . . 5.890 5.186 4.805 5.444 . 0 0 "[ . 1 . 2]" 1
720 1 38 LEU HB3 1 54 CYS HB2 . . 5.100 2.634 2.109 3.232 . 0 0 "[ . 1 . 2]" 1
721 1 38 LEU HB2 1 54 CYS HB2 . . 6.000 2.983 2.514 3.613 . 0 0 "[ . 1 . 2]" 1
722 1 41 LEU HB2 1 51 GLU HB3 . . 4.520 3.017 2.575 3.360 . 0 0 "[ . 1 . 2]" 1
723 1 41 LEU HB3 1 51 GLU HB3 . . 4.520 4.269 3.834 4.551 0.031 15 0 "[ . 1 . 2]" 1
724 1 45 PRO HA 1 46 LEU HG . . 5.750 4.751 4.637 4.981 . 0 0 "[ . 1 . 2]" 1
725 1 49 PRO HA 1 62 ARG HB3 . . 6.000 4.318 3.916 4.879 . 0 0 "[ . 1 . 2]" 1
726 1 41 LEU H 1 51 GLU HB3 . . 6.000 4.690 4.310 4.984 . 0 0 "[ . 1 . 2]" 1
727 1 41 LEU H 1 51 GLU HB2 . . 5.890 4.097 3.746 4.455 . 0 0 "[ . 1 . 2]" 1
728 1 38 LEU HB3 1 54 CYS HB3 . . 6.000 3.998 3.576 4.592 . 0 0 "[ . 1 . 2]" 1
729 1 53 ASN HD22 1 56 GLY HA3 . . 5.680 4.645 3.664 5.242 . 0 0 "[ . 1 . 2]" 1
730 1 58 LEU HG 1 59 LEU H . . 6.000 4.756 3.980 5.629 . 0 0 "[ . 1 . 2]" 1
731 1 69 ILE HA 1 69 ILE HG13 . . 4.130 3.035 2.958 3.094 . 0 0 "[ . 1 . 2]" 1
732 1 3 LEU HB3 1 69 ILE HB . . 4.160 2.232 2.092 2.365 . 0 0 "[ . 1 . 2]" 1
733 1 46 LEU HB2 1 46 LEU HG . . 2.980 2.487 2.463 2.526 . 0 0 "[ . 1 . 2]" 1
734 1 68 GLY H 1 69 ILE HG12 . . 6.000 5.473 5.378 5.609 . 0 0 "[ . 1 . 2]" 1
735 1 11 ARG HG3 1 12 ALA H . . 5.710 4.270 3.207 5.227 . 0 0 "[ . 1 . 2]" 1
736 1 50 ILE H 1 50 ILE MD . . 5.360 3.946 3.856 4.037 . 0 0 "[ . 1 . 2]" 1
737 1 30 LEU HA 1 30 LEU MD2 . . 3.420 1.994 1.937 2.075 . 0 0 "[ . 1 . 2]" 1
738 1 30 LEU H 1 30 LEU MD2 . . 5.330 3.436 3.212 3.618 . 0 0 "[ . 1 . 2]" 1
739 1 58 LEU HA 1 58 LEU MD1 . . 4.750 3.262 1.998 3.890 . 0 0 "[ . 1 . 2]" 1
740 1 73 ILE HA 1 73 ILE MD . . 4.790 3.222 1.808 3.810 . 0 0 "[ . 1 . 2]" 1
741 1 30 LEU H 1 30 LEU MD1 . . 5.330 3.669 3.571 3.771 . 0 0 "[ . 1 . 2]" 1
742 1 46 LEU H 1 46 LEU MD2 . . 5.360 3.848 3.427 3.959 . 0 0 "[ . 1 . 2]" 1
743 1 19 ALA MB 1 20 GLU H . . 3.670 2.180 2.043 2.452 . 0 0 "[ . 1 . 2]" 1
744 1 32 LEU HA 1 32 LEU MD2 . . 4.390 2.823 2.641 3.105 . 0 0 "[ . 1 . 2]" 1
745 1 97 ALA MB 1 98 LEU H . . 5.040 3.036 2.150 3.525 . 0 0 "[ . 1 . 2]" 1
746 1 27 LEU H 1 27 LEU MD2 . . 4.970 3.269 3.185 3.377 . 0 0 "[ . 1 . 2]" 1
747 1 27 LEU HA 1 27 LEU MD2 . . 3.530 2.005 1.941 2.057 . 0 0 "[ . 1 . 2]" 1
748 1 33 VAL H 1 33 VAL MG1 . . 4.430 2.957 2.668 3.079 . 0 0 "[ . 1 . 2]" 1
749 1 63 ARG HA 1 66 ALA MB . . 4.070 2.455 2.045 2.935 . 0 0 "[ . 1 . 2]" 1
750 1 12 ALA MB 1 13 GLU H . . 3.850 2.413 2.133 2.832 . 0 0 "[ . 1 . 2]" 1
751 1 40 VAL HA 1 40 VAL MG2 . . 3.600 2.386 2.314 2.423 . 0 0 "[ . 1 . 2]" 1
752 1 6 LEU H 1 6 LEU MD2 . . 4.970 3.513 3.205 3.830 . 0 0 "[ . 1 . 2]" 1
753 1 73 ILE H 1 73 ILE MG . . 4.750 3.755 3.695 3.774 . 0 0 "[ . 1 . 2]" 1
754 1 33 VAL H 1 33 VAL MG2 . . 3.740 2.170 2.001 2.267 . 0 0 "[ . 1 . 2]" 1
755 1 3 LEU H 1 3 LEU MD2 . . 5.430 4.208 4.182 4.233 . 0 0 "[ . 1 . 2]" 1
756 1 3 LEU HA 1 3 LEU MD1 . . 3.890 2.110 1.996 2.214 . 0 0 "[ . 1 . 2]" 1
757 1 3 LEU H 1 3 LEU MD1 . . 5.690 4.125 4.060 4.188 . 0 0 "[ . 1 . 2]" 1
758 1 52 VAL H 1 52 VAL MG2 . . 4.250 2.192 2.088 2.299 . 0 0 "[ . 1 . 2]" 1
759 1 57 MET H 1 57 MET ME . . 6.800 3.390 2.507 4.452 . 0 0 "[ . 1 . 2]" 1
760 1 23 VAL HA 1 23 VAL MG2 . . 3.670 2.362 2.282 2.420 . 0 0 "[ . 1 . 2]" 1
761 1 58 LEU HA 1 58 LEU MD2 . . 4.680 3.016 1.844 3.735 . 0 0 "[ . 1 . 2]" 1
762 1 74 LEU H 1 74 LEU MD2 . . 5.000 3.435 3.224 3.640 . 0 0 "[ . 1 . 2]" 1
763 1 74 LEU HA 1 74 LEU MD2 . . 3.560 1.946 1.815 2.034 . 0 0 "[ . 1 . 2]" 1
764 1 41 LEU HA 1 41 LEU MD2 . . 3.600 2.027 1.973 2.113 . 0 0 "[ . 1 . 2]" 1
765 1 46 LEU HA 1 46 LEU MD2 . . 3.600 2.075 1.985 2.244 . 0 0 "[ . 1 . 2]" 1
766 1 6 LEU H 1 6 LEU MD1 . . 5.580 3.770 3.589 3.966 . 0 0 "[ . 1 . 2]" 1
767 1 8 ALA MB 1 9 GLY H . . 4.460 3.246 2.825 3.523 . 0 0 "[ . 1 . 2]" 1
768 1 27 LEU H 1 27 LEU MD1 . . 5.430 3.636 3.560 3.721 . 0 0 "[ . 1 . 2]" 1
769 1 69 ILE H 1 69 ILE MD . . 5.470 3.591 3.479 3.757 . 0 0 "[ . 1 . 2]" 1
770 1 69 ILE HA 1 69 ILE MD . . 4.750 3.856 3.811 3.893 . 0 0 "[ . 1 . 2]" 1
771 1 28 MET H 1 28 MET ME . . 6.770 4.418 3.877 4.750 . 0 0 "[ . 1 . 2]" 1
772 1 3 LEU MD1 1 61 MET ME . . 5.450 3.604 3.322 3.800 . 0 0 "[ . 1 . 2]" 1
773 1 61 MET ME 1 65 GLU HB2 . . 5.070 3.697 2.205 4.344 . 0 0 "[ . 1 . 2]" 1
774 1 61 MET ME 1 66 ALA HA . . 4.610 3.037 2.422 3.664 . 0 0 "[ . 1 . 2]" 1
775 1 61 MET ME 1 62 ARG H . . 6.150 4.612 3.213 5.205 . 0 0 "[ . 1 . 2]" 1
776 1 61 MET H 1 61 MET ME . . 6.800 3.922 3.348 4.787 . 0 0 "[ . 1 . 2]" 1
777 1 61 MET ME 1 65 GLU H . . 6.980 5.136 4.087 5.710 . 0 0 "[ . 1 . 2]" 1
778 1 2 LYS HA 1 71 VAL MG2 . . 5.220 3.595 3.358 3.975 . 0 0 "[ . 1 . 2]" 1
779 1 2 LYS HA 1 71 VAL MG1 . . 5.800 4.347 4.132 4.567 . 0 0 "[ . 1 . 2]" 1
780 1 2 LYS HA 1 70 THR MG . . 5.720 3.763 3.363 4.152 . 0 0 "[ . 1 . 2]" 1
781 1 3 LEU HA 1 71 VAL MG2 . . 4.280 2.347 2.143 2.799 . 0 0 "[ . 1 . 2]" 1
782 1 3 LEU HA 1 71 VAL MG1 . . 4.540 2.914 2.359 3.216 . 0 0 "[ . 1 . 2]" 1
783 1 3 LEU HB2 1 71 VAL MG1 . . 5.080 2.241 2.032 2.472 . 0 0 "[ . 1 . 2]" 1
784 1 3 LEU MD1 1 6 LEU H . . 6.410 4.124 3.883 4.272 . 0 0 "[ . 1 . 2]" 1
785 1 3 LEU MD2 1 66 ALA HA . . 4.170 2.488 2.275 2.707 . 0 0 "[ . 1 . 2]" 1
786 1 3 LEU MD2 1 4 SER HA . . 6.410 5.175 5.056 5.318 . 0 0 "[ . 1 . 2]" 1
787 1 4 SER HA 1 66 ALA MB . . 4.640 2.687 2.503 3.077 . 0 0 "[ . 1 . 2]" 1
788 1 4 SER HB2 1 50 ILE MD . . 5.650 3.449 3.061 4.481 . 0 0 "[ . 1 . 2]" 1
789 1 4 SER HB3 1 50 ILE MD . . 5.650 3.708 2.501 4.751 . 0 0 "[ . 1 . 2]" 1
790 1 6 LEU HG 1 71 VAL MG2 . . 5.830 2.597 2.351 2.892 . 0 0 "[ . 1 . 2]" 1
791 1 6 LEU MD1 1 12 ALA MB . . 5.950 2.025 1.780 2.280 . 0 0 "[ . 1 . 2]" 1
792 1 6 LEU MD1 1 71 VAL MG2 . . 5.810 1.862 1.647 2.168 . 0 0 "[ . 1 . 2]" 1
793 1 6 LEU MD1 1 10 ASP HB3 . . 4.860 3.134 2.483 3.757 . 0 0 "[ . 1 . 2]" 1
794 1 6 LEU MD1 1 10 ASP HB2 . . 5.470 3.407 2.363 3.990 . 0 0 "[ . 1 . 2]" 1
795 1 3 LEU HA 1 6 LEU MD1 . . 4.390 2.642 2.427 2.910 . 0 0 "[ . 1 . 2]" 1
796 1 6 LEU MD1 1 12 ALA HA . . 6.510 4.385 4.048 4.767 . 0 0 "[ . 1 . 2]" 1
797 1 6 LEU MD1 1 11 ARG HA . . 7.020 4.267 3.844 4.704 . 0 0 "[ . 1 . 2]" 1
798 1 5 GLU H 1 6 LEU MD1 . . 7.020 4.954 4.791 5.139 . 0 0 "[ . 1 . 2]" 1
799 1 6 LEU MD2 1 71 VAL MG2 . . 5.910 2.578 2.011 3.135 . 0 0 "[ . 1 . 2]" 1
800 1 6 LEU MD2 1 10 ASP HB2 . . 4.680 2.945 2.212 3.604 . 0 0 "[ . 1 . 2]" 1
801 1 5 GLU H 1 6 LEU MD2 . . 7.020 4.806 4.304 5.230 . 0 0 "[ . 1 . 2]" 1
802 1 6 LEU MD2 1 7 LYS H . . 3.990 3.118 2.697 3.249 . 0 0 "[ . 1 . 2]" 1
803 1 7 LYS HA 1 40 VAL MG1 . . 5.080 3.938 3.462 4.135 . 0 0 "[ . 1 . 2]" 1
804 1 8 ALA HA 1 40 VAL MG1 . . 4.000 2.119 1.773 2.470 . 0 0 "[ . 1 . 2]" 1
805 1 8 ALA HA 1 40 VAL MG2 . . 5.580 4.114 3.578 4.685 . 0 0 "[ . 1 . 2]" 1
806 1 8 ALA MB 1 42 ARG HA . . 4.070 2.549 1.867 3.206 . 0 0 "[ . 1 . 2]" 1
807 1 7 LYS HA 1 8 ALA MB . . 5.290 4.048 3.721 4.190 . 0 0 "[ . 1 . 2]" 1
808 1 8 ALA MB 1 42 ARG H . . 6.370 4.316 3.657 4.835 . 0 0 "[ . 1 . 2]" 1
809 1 8 ALA MB 1 43 PHE H . . 5.150 3.425 2.865 4.164 . 0 0 "[ . 1 . 2]" 1
810 1 8 ALA MB 1 10 ASP H . . 7.020 4.488 4.183 4.660 . 0 0 "[ . 1 . 2]" 1
811 1 12 ALA MB 1 71 VAL MG2 . . 5.910 2.375 2.155 2.544 . 0 0 "[ . 1 . 2]" 1
812 1 11 ARG HA 1 12 ALA MB . . 5.540 3.916 3.835 3.972 . 0 0 "[ . 1 . 2]" 1
813 1 12 ALA MB 1 71 VAL HA . . 5.040 3.962 3.774 4.058 . 0 0 "[ . 1 . 2]" 1
814 1 12 ALA MB 1 74 LEU H . . 4.890 3.531 3.090 3.893 . 0 0 "[ . 1 . 2]" 1
815 1 12 ALA MB 1 73 ILE H . . 5.830 3.769 3.409 4.422 . 0 0 "[ . 1 . 2]" 1
816 1 14 VAL HA 1 15 THR MG . . 6.910 4.067 3.715 4.969 . 0 0 "[ . 1 . 2]" 1
817 1 14 VAL HB 1 36 ALA MB . . 4.680 2.791 2.560 3.203 . 0 0 "[ . 1 . 2]" 1
818 1 14 VAL MG1 1 16 SER H . . 4.100 2.680 2.308 3.012 . 0 0 "[ . 1 . 2]" 1
819 1 14 VAL MG1 1 36 ALA H . . 7.020 4.223 3.893 4.562 . 0 0 "[ . 1 . 2]" 1
820 1 14 VAL MG1 1 35 GLY H . . 4.970 3.786 3.310 4.042 . 0 0 "[ . 1 . 2]" 1
821 1 14 VAL MG2 1 32 LEU HA . . 5.290 3.678 3.330 4.019 . 0 0 "[ . 1 . 2]" 1
822 1 13 GLU HA 1 14 VAL MG2 . . 5.070 3.565 3.452 3.786 . 0 0 "[ . 1 . 2]" 1
823 1 14 VAL MG2 1 33 VAL H . . 6.260 4.117 3.793 4.767 . 0 0 "[ . 1 . 2]" 1
824 1 14 VAL MG2 1 38 LEU H . . 6.730 4.259 3.812 4.554 . 0 0 "[ . 1 . 2]" 1
825 1 14 VAL MG2 1 15 THR H . . 5.870 4.106 4.045 4.208 . 0 0 "[ . 1 . 2]" 1
826 1 14 VAL MG1 1 15 THR MG . . 8.040 4.623 4.366 4.993 . 0 0 "[ . 1 . 2]" 1
827 1 15 THR MG 1 72 HIS HD2 . . 7.020 4.836 4.292 5.302 . 0 0 "[ . 1 . 2]" 1
828 1 17 VAL HA 1 18 ALA MB . . 5.690 4.067 3.942 4.151 . 0 0 "[ . 1 . 2]" 1
829 1 18 ALA MB 1 68 GLY HA3 . . 4.680 2.755 2.107 3.146 . 0 0 "[ . 1 . 2]" 1
830 1 19 ALA MB 1 24 ARG HA . . 4.750 2.915 2.404 3.521 . 0 0 "[ . 1 . 2]" 1
831 1 19 ALA MB 1 23 VAL H . . 5.510 4.438 4.277 4.520 . 0 0 "[ . 1 . 2]" 1
832 1 20 GLU HB3 1 23 VAL MG2 . . 5.900 2.975 1.989 3.864 . 0 0 "[ . 1 . 2]" 1
833 1 19 ALA MB 1 20 GLU HB2 . . 6.770 3.866 3.410 4.144 . 0 0 "[ . 1 . 2]" 1
834 1 22 ALA MB 1 23 VAL MG2 . . 6.810 2.957 2.787 3.165 . 0 0 "[ . 1 . 2]" 1
835 1 22 ALA MB 1 23 VAL HA . . 5.760 3.790 3.718 3.858 . 0 0 "[ . 1 . 2]" 1
836 1 22 ALA MB 1 24 ARG H . . 6.660 4.534 4.426 4.723 . 0 0 "[ . 1 . 2]" 1
837 1 23 VAL HA 1 27 LEU MD1 . . 6.080 4.880 4.646 5.000 . 0 0 "[ . 1 . 2]" 1
838 1 19 ALA MB 1 23 VAL HA . . 6.410 4.893 4.659 5.146 . 0 0 "[ . 1 . 2]" 1
839 1 19 ALA MB 1 23 VAL HB . . 4.210 2.661 2.458 2.886 . 0 0 "[ . 1 . 2]" 1
840 1 19 ALA MB 1 23 VAL MG1 . . 6.020 2.650 2.407 3.105 . 0 0 "[ . 1 . 2]" 1
841 1 23 VAL MG1 1 24 ARG HA . . 5.720 3.448 3.218 3.651 . 0 0 "[ . 1 . 2]" 1
842 1 23 VAL MG1 1 27 LEU H . . 5.510 3.972 3.700 4.221 . 0 0 "[ . 1 . 2]" 1
843 1 23 VAL MG1 1 24 ARG H . . 5.260 3.389 3.092 3.621 . 0 0 "[ . 1 . 2]" 1
844 1 20 GLU HB2 1 23 VAL MG2 . . 4.890 2.554 2.072 3.301 . 0 0 "[ . 1 . 2]" 1
845 1 19 ALA MB 1 24 ARG HB3 . . 5.470 3.898 3.426 4.308 . 0 0 "[ . 1 . 2]" 1
846 1 19 ALA MB 1 24 ARG HB2 . . 5.330 2.373 1.817 2.839 . 0 0 "[ . 1 . 2]" 1
847 1 19 ALA MB 1 27 LEU MD1 . . 6.810 3.020 2.519 3.562 . 0 0 "[ . 1 . 2]" 1
848 1 24 ARG HA 1 27 LEU MD1 . . 5.080 2.614 2.208 3.077 . 0 0 "[ . 1 . 2]" 1
849 1 24 ARG H 1 27 LEU MD1 . . 6.160 4.522 4.257 4.945 . 0 0 "[ . 1 . 2]" 1
850 1 28 MET HG2 1 33 VAL MG1 . . 4.970 2.261 1.849 3.004 . 0 0 "[ . 1 . 2]" 1
851 1 28 MET HG3 1 33 VAL MG1 . . 4.970 3.637 3.374 3.864 . 0 0 "[ . 1 . 2]" 1
852 1 28 MET ME 1 33 VAL MG2 . . 7.860 4.862 4.218 5.531 . 0 0 "[ . 1 . 2]" 1
853 1 28 MET ME 1 33 VAL MG1 . . 6.960 2.780 2.244 3.513 . 0 0 "[ . 1 . 2]" 1
854 1 25 ARG HA 1 28 MET ME . . 5.290 3.507 2.036 4.353 . 0 0 "[ . 1 . 2]" 1
855 1 28 MET ME 1 33 VAL HA . . 5.830 4.332 3.476 4.975 . 0 0 "[ . 1 . 2]" 1
856 1 28 MET ME 1 29 ASP H . . 7.020 4.805 4.220 5.126 . 0 0 "[ . 1 . 2]" 1
857 1 28 MET ME 1 34 ARG H . . 7.020 4.925 3.837 5.826 . 0 0 "[ . 1 . 2]" 1
858 1 29 ASP HB2 1 30 LEU MD2 . . 7.020 4.967 4.129 5.570 . 0 0 "[ . 1 . 2]" 1
859 1 27 LEU HA 1 30 LEU MD1 . . 4.360 2.484 2.248 2.820 . 0 0 "[ . 1 . 2]" 1
860 1 27 LEU HA 1 30 LEU MD2 . . 7.020 4.677 4.358 5.028 . 0 0 "[ . 1 . 2]" 1
861 1 32 LEU MD2 1 54 CYS HB3 . . 6.950 5.771 5.381 5.882 . 0 0 "[ . 1 . 2]" 1
862 1 32 LEU MD2 1 33 VAL HA . . 6.010 3.395 3.178 3.654 . 0 0 "[ . 1 . 2]" 1
863 1 16 SER HA 1 32 LEU MD2 . . 7.020 5.882 5.506 5.962 . 0 0 "[ . 1 . 2]" 1
864 1 32 LEU MD2 1 33 VAL H . . 5.760 3.300 3.112 3.595 . 0 0 "[ . 1 . 2]" 1
865 1 31 GLY HA2 1 33 VAL MG1 . . 6.050 3.549 3.231 3.842 . 0 0 "[ . 1 . 2]" 1
866 1 28 MET HA 1 33 VAL MG1 . . 4.030 2.338 2.150 2.544 . 0 0 "[ . 1 . 2]" 1
867 1 31 GLY H 1 33 VAL MG1 . . 5.720 4.055 3.774 4.308 . 0 0 "[ . 1 . 2]" 1
868 1 33 VAL MG1 1 34 ARG H . . 4.900 3.568 3.480 3.634 . 0 0 "[ . 1 . 2]" 1
869 1 33 VAL MG2 1 36 ALA MB . . 6.630 2.391 1.973 2.849 . 0 0 "[ . 1 . 2]" 1
870 1 31 GLY HA2 1 33 VAL MG2 . . 5.690 3.941 3.606 4.354 . 0 0 "[ . 1 . 2]" 1
871 1 32 LEU HA 1 33 VAL MG2 . . 5.330 3.916 3.825 4.009 . 0 0 "[ . 1 . 2]" 1
872 1 33 VAL MG2 1 55 ASN HD22 . . 6.730 3.785 3.053 4.324 . 0 0 "[ . 1 . 2]" 1
873 1 32 LEU H 1 33 VAL MG2 . . 6.730 4.704 4.445 5.004 . 0 0 "[ . 1 . 2]" 1
874 1 33 VAL MG2 1 36 ALA H . . 5.150 3.152 2.805 3.437 . 0 0 "[ . 1 . 2]" 1
875 1 33 VAL MG2 1 35 GLY H . . 7.020 4.435 4.173 4.648 . 0 0 "[ . 1 . 2]" 1
876 1 14 VAL MG1 1 34 ARG HA . . 4.070 2.827 2.499 3.117 . 0 0 "[ . 1 . 2]" 1
877 1 32 LEU HA 1 36 ALA MB . . 4.100 2.574 2.236 2.798 . 0 0 "[ . 1 . 2]" 1
878 1 36 ALA MB 1 37 LYS HA . . 6.260 4.238 4.115 4.375 . 0 0 "[ . 1 . 2]" 1
879 1 33 VAL H 1 36 ALA MB . . 3.670 1.905 1.674 2.278 . 0 0 "[ . 1 . 2]" 1
880 1 36 ALA MB 1 55 ASN HD21 . . 5.690 2.794 2.354 3.685 . 0 0 "[ . 1 . 2]" 1
881 1 14 VAL H 1 36 ALA MB . . 5.430 3.492 3.272 3.827 . 0 0 "[ . 1 . 2]" 1
882 1 35 GLY H 1 36 ALA MB . . 6.260 4.071 3.978 4.204 . 0 0 "[ . 1 . 2]" 1
883 1 40 VAL MG1 1 43 PHE HZ . . 5.870 2.729 2.303 4.216 . 0 0 "[ . 1 . 2]" 1
884 1 39 LYS HA 1 40 VAL MG2 . . 5.870 3.654 3.538 3.863 . 0 0 "[ . 1 . 2]" 1
885 1 41 LEU MD1 1 53 ASN HB2 . . 4.540 2.282 1.759 2.946 . 0 0 "[ . 1 . 2]" 1
886 1 41 LEU MD1 1 53 ASN HA . . 5.900 3.428 3.111 3.892 . 0 0 "[ . 1 . 2]" 1
887 1 38 LEU H 1 74 LEU MD1 . . 6.330 3.960 3.153 4.948 . 0 0 "[ . 1 . 2]" 1
888 1 41 LEU MD1 1 59 LEU H . . 6.550 4.299 4.044 4.824 . 0 0 "[ . 1 . 2]" 1
889 1 41 LEU MD2 1 53 ASN HB2 . . 5.040 2.212 1.793 2.610 . 0 0 "[ . 1 . 2]" 1
890 1 41 LEU MD2 1 52 VAL HA . . 7.020 3.985 3.706 4.390 . 0 0 "[ . 1 . 2]" 1
891 1 40 VAL MG1 1 42 ARG HA . . 5.330 3.636 2.941 4.169 . 0 0 "[ . 1 . 2]" 1
892 1 43 PHE HB3 1 44 ALA MB . . 6.690 4.263 3.980 4.499 . 0 0 "[ . 1 . 2]" 1
893 1 44 ALA MB 1 50 ILE HA . . 6.150 4.390 4.207 4.566 . 0 0 "[ . 1 . 2]" 1
894 1 43 PHE HA 1 44 ALA MB . . 5.510 4.085 4.028 4.165 . 0 0 "[ . 1 . 2]" 1
895 1 44 ALA MB 1 48 ASP HA . . 6.440 3.547 3.354 3.656 . 0 0 "[ . 1 . 2]" 1
896 1 44 ALA MB 1 48 ASP H . . 4.640 2.536 2.137 3.281 . 0 0 "[ . 1 . 2]" 1
897 1 44 ALA MB 1 47 GLY H . . 5.540 3.349 2.462 3.562 . 0 0 "[ . 1 . 2]" 1
898 1 45 PRO HB3 1 46 LEU MD2 . . 6.510 4.905 4.083 5.213 . 0 0 "[ . 1 . 2]" 1
899 1 44 ALA MB 1 49 PRO HA . . 6.870 4.194 4.120 4.261 . 0 0 "[ . 1 . 2]" 1
900 1 50 ILE MG 1 52 VAL MG1 . . 5.630 2.054 1.832 2.286 . 0 0 "[ . 1 . 2]" 1
901 1 4 SER HA 1 50 ILE MG . . 7.020 4.181 3.648 4.645 . 0 0 "[ . 1 . 2]" 1
902 1 42 ARG HA 1 50 ILE MG . . 7.020 4.991 4.704 5.317 . 0 0 "[ . 1 . 2]" 1
903 1 43 PHE HA 1 50 ILE MG . . 5.250 3.134 2.841 3.423 . 0 0 "[ . 1 . 2]" 1
904 1 50 ILE MG 1 51 GLU HA . . 6.510 3.792 3.717 3.889 . 0 0 "[ . 1 . 2]" 1
905 1 44 ALA H 1 50 ILE MG . . 7.020 4.688 4.585 4.879 . 0 0 "[ . 1 . 2]" 1
906 1 41 LEU H 1 50 ILE MG . . 6.440 4.127 3.883 4.471 . 0 0 "[ . 1 . 2]" 1
907 1 50 ILE MG 1 52 VAL H . . 6.730 4.082 3.931 4.394 . 0 0 "[ . 1 . 2]" 1
908 1 50 ILE MG 1 61 MET H . . 6.300 4.629 4.271 4.789 . 0 0 "[ . 1 . 2]" 1
909 1 3 LEU HG 1 50 ILE MD . . 5.040 3.677 3.097 4.133 . 0 0 "[ . 1 . 2]" 1
910 1 50 ILE MD 1 63 ARG HB3 . . 6.120 4.260 3.881 4.752 . 0 0 "[ . 1 . 2]" 1
911 1 4 SER HA 1 50 ILE MD . . 4.500 2.573 2.281 2.969 . 0 0 "[ . 1 . 2]" 1
912 1 43 PHE HA 1 50 ILE MD . . 6.080 4.817 4.539 5.059 . 0 0 "[ . 1 . 2]" 1
913 1 48 ASP HA 1 50 ILE MD . . 6.160 4.184 3.986 4.539 . 0 0 "[ . 1 . 2]" 1
914 1 49 PRO HA 1 50 ILE MD . . 7.020 4.633 4.523 4.745 . 0 0 "[ . 1 . 2]" 1
915 1 43 PHE HZ 1 50 ILE MD . . 5.620 3.863 3.265 4.255 . 0 0 "[ . 1 . 2]" 1
916 1 50 ILE MD 1 51 GLU H . . 7.020 5.032 4.966 5.103 . 0 0 "[ . 1 . 2]" 1
917 1 41 LEU MD1 1 51 GLU HB3 . . 5.970 2.706 2.075 3.372 . 0 0 "[ . 1 . 2]" 1
918 1 51 GLU HB3 1 60 THR MG . . 7.020 4.449 3.984 5.248 . 0 0 "[ . 1 . 2]" 1
919 1 41 LEU MD1 1 51 GLU HB2 . . 6.190 3.545 3.050 4.143 . 0 0 "[ . 1 . 2]" 1
920 1 52 VAL MG1 1 61 MET H . . 6.550 4.925 4.534 5.260 . 0 0 "[ . 1 . 2]" 1
921 1 52 VAL MG2 1 54 CYS HB3 . . 6.260 3.846 3.449 4.184 . 0 0 "[ . 1 . 2]" 1
922 1 51 GLU HA 1 52 VAL MG2 . . 5.650 3.676 3.580 3.772 . 0 0 "[ . 1 . 2]" 1
923 1 52 VAL MG2 1 54 CYS H . . 6.300 3.686 3.443 3.862 . 0 0 "[ . 1 . 2]" 1
924 1 36 ALA MB 1 55 ASN HB3 . . 7.020 4.779 3.255 5.474 . 0 0 "[ . 1 . 2]" 1
925 1 36 ALA MB 1 55 ASN HB2 . . 7.020 3.733 1.897 4.486 . 0 0 "[ . 1 . 2]" 1
926 1 57 MET ME 1 59 LEU MD2 . . 6.740 3.225 1.634 3.980 . 0 0 "[ . 1 . 2]" 1
927 1 57 MET ME 1 58 LEU H . . 6.980 5.415 4.863 5.705 . 0 0 "[ . 1 . 2]" 1
928 1 53 ASN HB2 1 58 LEU MD2 . . 6.150 3.452 2.259 4.567 . 0 0 "[ . 1 . 2]" 1
929 1 53 ASN HA 1 58 LEU MD2 . . 5.470 3.839 2.370 4.603 . 0 0 "[ . 1 . 2]" 1
930 1 53 ASN HD22 1 58 LEU MD2 . . 7.020 4.153 3.063 5.904 . 0 0 "[ . 1 . 2]" 1
931 1 53 ASN HD21 1 58 LEU MD2 . . 6.870 3.532 1.659 5.638 . 0 0 "[ . 1 . 2]" 1
932 1 58 LEU MD2 1 59 LEU H . . 6.050 4.440 2.514 5.082 . 0 0 "[ . 1 . 2]" 1
933 1 54 CYS HB3 1 59 LEU MD1 . . 4.570 2.618 1.895 3.906 . 0 0 "[ . 1 . 2]" 1
934 1 59 LEU MD1 1 60 THR H . . 6.080 4.632 3.162 5.062 . 0 0 "[ . 1 . 2]" 1
935 1 54 CYS H 1 59 LEU MD1 . . 6.120 4.124 3.471 5.150 . 0 0 "[ . 1 . 2]" 1
936 1 30 LEU HB3 1 59 LEU MD2 . . 4.970 2.748 1.780 3.995 . 0 0 "[ . 1 . 2]" 1
937 1 54 CYS HB3 1 59 LEU MD2 . . 5.150 2.645 1.744 3.497 . 0 0 "[ . 1 . 2]" 1
938 1 54 CYS HA 1 59 LEU MD2 . . 6.550 4.909 3.992 5.491 . 0 0 "[ . 1 . 2]" 1
939 1 54 CYS H 1 59 LEU MD2 . . 6.410 3.044 2.134 3.681 . 0 0 "[ . 1 . 2]" 1
940 1 50 ILE HA 1 60 THR MG . . 6.950 4.520 3.954 5.029 . 0 0 "[ . 1 . 2]" 1
941 1 60 THR MG 1 61 MET HA . . 4.680 3.595 3.455 3.703 . 0 0 "[ . 1 . 2]" 1
942 1 51 GLU HA 1 60 THR MG . . 6.120 3.243 2.801 3.726 . 0 0 "[ . 1 . 2]" 1
943 1 50 ILE H 1 60 THR MG . . 5.330 3.489 3.086 3.845 . 0 0 "[ . 1 . 2]" 1
944 1 60 THR MG 1 61 MET H . . 4.570 2.779 2.568 2.871 . 0 0 "[ . 1 . 2]" 1
945 1 1 MET ME 1 71 VAL MG2 . . 7.860 3.606 2.053 4.276 . 0 0 "[ . 1 . 2]" 1
946 1 1 MET ME 1 3 LEU HA . . 7.020 5.118 4.450 5.393 . 0 0 "[ . 1 . 2]" 1
947 1 1 MET ME 1 6 LEU HA . . 4.930 2.849 2.116 3.986 . 0 0 "[ . 1 . 2]" 1
948 1 1 MET ME 1 72 HIS HA . . 7.020 5.317 3.227 5.927 . 0 0 "[ . 1 . 2]" 1
949 1 1 MET ME 1 6 LEU H . . 7.020 3.960 3.180 5.024 . 0 0 "[ . 1 . 2]" 1
950 1 1 MET ME 1 5 GLU H . . 7.020 4.589 3.983 5.470 . 0 0 "[ . 1 . 2]" 1
951 1 1 MET ME 1 73 ILE H . . 6.330 4.672 2.919 5.338 . 0 0 "[ . 1 . 2]" 1
952 1 1 MET ME 1 7 LYS H . . 6.870 4.667 3.897 5.636 . 0 0 "[ . 1 . 2]" 1
953 1 1 MET ME 1 2 LYS H . . 6.300 4.382 3.795 4.846 . 0 0 "[ . 1 . 2]" 1
954 1 50 ILE MD 1 63 ARG HA . . 4.100 2.311 2.013 2.791 . 0 0 "[ . 1 . 2]" 1
955 1 50 ILE MD 1 63 ARG HB2 . . 4.930 3.051 2.580 3.568 . 0 0 "[ . 1 . 2]" 1
956 1 23 VAL MG1 1 65 GLU HA . . 5.620 4.256 3.510 4.590 . 0 0 "[ . 1 . 2]" 1
957 1 65 GLU HB2 1 66 ALA MB . . 6.550 3.925 3.725 4.234 . 0 0 "[ . 1 . 2]" 1
958 1 23 VAL MG1 1 65 GLU HB3 . . 5.980 3.521 2.690 4.226 . 0 0 "[ . 1 . 2]" 1
959 1 23 VAL MG1 1 65 GLU HG2 . . 5.690 2.898 1.800 4.347 . 0 0 "[ . 1 . 2]" 1
960 1 23 VAL MG2 1 65 GLU HG2 . . 6.730 4.494 3.745 5.307 . 0 0 "[ . 1 . 2]" 1
961 1 23 VAL MG1 1 65 GLU HG3 . . 5.690 2.939 1.581 4.561 . 0 0 "[ . 1 . 2]" 1
962 1 23 VAL MG2 1 65 GLU HG3 . . 6.730 4.446 2.611 5.444 . 0 0 "[ . 1 . 2]" 1
963 1 50 ILE MD 1 66 ALA MB . . 5.770 2.107 1.936 2.374 . 0 0 "[ . 1 . 2]" 1
964 1 3 LEU HB3 1 66 ALA MB . . 4.500 2.408 2.109 2.712 . 0 0 "[ . 1 . 2]" 1
965 1 4 SER H 1 66 ALA MB . . 5.040 2.696 2.455 2.990 . 0 0 "[ . 1 . 2]" 1
966 1 65 GLU H 1 66 ALA MB . . 5.360 4.188 4.091 4.360 . 0 0 "[ . 1 . 2]" 1
967 1 18 ALA MB 1 68 GLY HA2 . . 4.680 2.625 2.207 3.038 . 0 0 "[ . 1 . 2]" 1
968 1 3 LEU HB3 1 69 ILE MG . . 5.070 3.320 3.151 3.453 . 0 0 "[ . 1 . 2]" 1
969 1 14 VAL HA 1 69 ILE MG . . 5.110 3.590 3.359 3.838 . 0 0 "[ . 1 . 2]" 1
970 1 66 ALA HA 1 69 ILE MG . . 5.470 4.006 3.784 4.169 . 0 0 "[ . 1 . 2]" 1
971 1 17 VAL HA 1 69 ILE MG . . 5.720 2.770 2.293 3.051 . 0 0 "[ . 1 . 2]" 1
972 1 69 ILE MG 1 70 THR HA . . 6.480 3.813 3.697 4.041 . 0 0 "[ . 1 . 2]" 1
973 1 69 ILE MG 1 71 VAL HA . . 6.620 4.114 3.925 4.272 . 0 0 "[ . 1 . 2]" 1
974 1 69 ILE MG 1 70 THR H . . 4.320 2.734 2.481 2.935 . 0 0 "[ . 1 . 2]" 1
975 1 3 LEU H 1 69 ILE MG . . 5.540 3.629 3.479 3.807 . 0 0 "[ . 1 . 2]" 1
976 1 15 THR H 1 69 ILE MG . . 6.260 4.270 4.054 4.613 . 0 0 "[ . 1 . 2]" 1
977 1 3 LEU HG 1 69 ILE MD . . 4.900 3.903 3.840 3.966 . 0 0 "[ . 1 . 2]" 1
978 1 3 LEU HB3 1 69 ILE MD . . 5.580 3.219 3.053 3.414 . 0 0 "[ . 1 . 2]" 1
979 1 66 ALA HA 1 69 ILE MD . . 4.100 2.135 1.768 2.446 . 0 0 "[ . 1 . 2]" 1
980 1 17 VAL HA 1 69 ILE MD . . 5.180 4.332 4.160 4.392 . 0 0 "[ . 1 . 2]" 1
981 1 18 ALA H 1 69 ILE MD . . 6.120 5.035 4.605 5.234 . 0 0 "[ . 1 . 2]" 1
982 1 69 ILE MD 1 70 THR H . . 6.340 5.170 4.941 5.295 . 0 0 "[ . 1 . 2]" 1
983 1 3 LEU H 1 69 ILE MD . . 7.020 4.868 4.664 5.089 . 0 0 "[ . 1 . 2]" 1
984 1 69 ILE MG 1 70 THR HB . . 5.970 4.565 4.404 4.724 . 0 0 "[ . 1 . 2]" 1
985 1 14 VAL MG2 1 71 VAL HA . . 5.250 4.131 3.852 4.271 . 0 0 "[ . 1 . 2]" 1
986 1 15 THR MG 1 71 VAL HA . . 5.110 3.430 2.779 4.297 . 0 0 "[ . 1 . 2]" 1
987 1 12 ALA MB 1 71 VAL HB . . 3.600 1.977 1.806 2.099 . 0 0 "[ . 1 . 2]" 1
988 1 3 LEU HB3 1 71 VAL MG1 . . 5.260 3.683 3.479 3.898 . 0 0 "[ . 1 . 2]" 1
989 1 14 VAL HA 1 71 VAL MG1 . . 4.140 2.062 1.622 2.480 . 0 0 "[ . 1 . 2]" 1
990 1 70 THR HA 1 71 VAL MG1 . . 6.120 3.633 3.521 3.735 . 0 0 "[ . 1 . 2]" 1
991 1 15 THR H 1 71 VAL MG1 . . 5.080 3.447 3.053 3.805 . 0 0 "[ . 1 . 2]" 1
992 1 3 LEU HB3 1 71 VAL MG2 . . 6.080 4.394 4.126 4.772 . 0 0 "[ . 1 . 2]" 1
993 1 70 THR HA 1 71 VAL MG2 . . 5.150 3.697 3.559 3.805 . 0 0 "[ . 1 . 2]" 1
994 1 71 VAL MG2 1 72 HIS HA . . 5.400 3.582 3.370 3.786 . 0 0 "[ . 1 . 2]" 1
995 1 71 VAL MG2 1 73 ILE H . . 6.660 4.102 4.024 4.186 . 0 0 "[ . 1 . 2]" 1
996 1 71 VAL MG2 1 73 ILE HA . . 6.050 4.372 3.960 4.625 . 0 0 "[ . 1 . 2]" 1
997 1 12 ALA MB 1 73 ILE HA . . 4.030 2.415 2.074 2.976 . 0 0 "[ . 1 . 2]" 1
998 1 71 VAL MG2 1 73 ILE HB . . 7.020 5.639 5.390 5.727 . 0 0 "[ . 1 . 2]" 1
999 1 71 VAL MG2 1 73 ILE HG12 . . 6.050 3.931 3.546 4.250 . 0 0 "[ . 1 . 2]" 1
1000 1 71 VAL MG2 1 73 ILE HG13 . . 6.050 4.180 3.729 4.977 . 0 0 "[ . 1 . 2]" 1
1001 1 73 ILE MG 1 75 ALA MB . . 5.910 2.181 1.921 2.476 . 0 0 "[ . 1 . 2]" 1
1002 1 1 MET ME 1 73 ILE MG . . 7.170 4.439 3.734 4.883 . 0 0 "[ . 1 . 2]" 1
1003 1 10 ASP HB3 1 73 ILE MG . . 6.550 3.843 2.945 5.249 . 0 0 "[ . 1 . 2]" 1
1004 1 73 ILE MG 1 75 ALA HA . . 5.830 4.090 3.299 4.440 . 0 0 "[ . 1 . 2]" 1
1005 1 73 ILE MG 1 74 LEU HA . . 5.540 3.864 3.712 3.949 . 0 0 "[ . 1 . 2]" 1
1006 1 12 ALA HA 1 73 ILE MG . . 5.470 3.879 3.684 4.224 . 0 0 "[ . 1 . 2]" 1
1007 1 73 ILE MG 1 74 LEU H . . 4.280 2.608 2.457 2.849 . 0 0 "[ . 1 . 2]" 1
1008 1 73 ILE MG 1 75 ALA H . . 5.830 2.819 1.924 3.316 . 0 0 "[ . 1 . 2]" 1
1009 1 11 ARG H 1 73 ILE MG . . 5.720 3.391 2.982 4.084 . 0 0 "[ . 1 . 2]" 1
1010 1 1 MET ME 1 73 ILE MD . . 6.630 2.131 1.486 3.208 . 0 0 "[ . 1 . 2]" 1
1011 1 10 ASP HB3 1 73 ILE MD . . 4.820 3.358 2.021 4.076 . 0 0 "[ . 1 . 2]" 1
1012 1 10 ASP HB2 1 73 ILE MD . . 6.340 4.417 3.283 4.958 . 0 0 "[ . 1 . 2]" 1
1013 1 6 LEU HA 1 73 ILE MD . . 6.190 3.958 3.564 4.313 . 0 0 "[ . 1 . 2]" 1
1014 1 10 ASP HA 1 73 ILE MD . . 6.700 4.686 3.200 5.386 . 0 0 "[ . 1 . 2]" 1
1015 1 12 ALA HA 1 73 ILE MD . . 6.480 4.780 2.788 5.504 . 0 0 "[ . 1 . 2]" 1
1016 1 73 ILE MD 1 74 LEU H . . 5.980 4.458 3.131 5.024 . 0 0 "[ . 1 . 2]" 1
1017 1 11 ARG H 1 73 ILE MD . . 6.550 4.461 3.043 5.236 . 0 0 "[ . 1 . 2]" 1
1018 1 7 LYS H 1 73 ILE MD . . 6.770 4.705 3.891 5.046 . 0 0 "[ . 1 . 2]" 1
1019 1 13 GLU HA 1 74 LEU MD1 . . 6.300 3.641 3.243 4.182 . 0 0 "[ . 1 . 2]" 1
1020 1 41 LEU MD1 1 53 ASN HD21 . . 6.660 3.693 2.997 5.383 . 0 0 "[ . 1 . 2]" 1
1021 1 13 GLU H 1 74 LEU MD1 . . 6.260 3.886 3.476 4.303 . 0 0 "[ . 1 . 2]" 1
1022 1 72 HIS HD2 1 74 LEU MD2 . . 5.220 2.876 2.128 3.539 . 0 0 "[ . 1 . 2]" 1
1023 1 74 LEU MD2 1 75 ALA H . . 4.970 3.956 3.830 4.060 . 0 0 "[ . 1 . 2]" 1
1024 1 13 GLU H 1 74 LEU MD2 . . 5.470 3.334 2.935 3.768 . 0 0 "[ . 1 . 2]" 1
1025 1 22 ALA MB 1 23 VAL HB . . 5.580 4.529 4.494 4.614 . 0 0 "[ . 1 . 2]" 1
1026 1 3 LEU MD2 1 66 ALA MB . . 5.480 2.754 2.514 2.941 . 0 0 "[ . 1 . 2]" 1
1027 1 3 LEU HG 1 50 ILE MG . . 5.900 3.892 3.571 4.455 . 0 0 "[ . 1 . 2]" 1
1028 1 3 LEU MD1 1 66 ALA HA . . 5.830 4.775 4.488 4.989 . 0 0 "[ . 1 . 2]" 1
1029 1 6 LEU MD1 1 10 ASP HA . . 7.020 5.124 4.797 5.469 . 0 0 "[ . 1 . 2]" 1
1030 1 6 LEU MD1 1 12 ALA H . . 5.650 3.848 3.528 4.113 . 0 0 "[ . 1 . 2]" 1
1031 1 6 LEU MD1 1 7 LYS H . . 6.080 4.103 3.766 4.610 . 0 0 "[ . 1 . 2]" 1
1032 1 6 LEU MD2 1 12 ALA HA . . 6.050 4.706 4.353 4.958 . 0 0 "[ . 1 . 2]" 1
1033 1 10 ASP HB2 1 40 VAL MG1 . . 7.020 4.428 4.105 4.816 . 0 0 "[ . 1 . 2]" 1
1034 1 10 ASP HB3 1 40 VAL MG1 . . 7.020 5.560 4.657 5.869 . 0 0 "[ . 1 . 2]" 1
1035 1 10 ASP HB3 1 12 ALA MB . . 6.800 3.950 3.602 4.285 . 0 0 "[ . 1 . 2]" 1
1036 1 14 VAL HA 1 71 VAL MG2 . . 6.840 4.578 4.310 4.796 . 0 0 "[ . 1 . 2]" 1
1037 1 14 VAL MG1 1 70 THR H . . 5.940 3.753 3.473 4.054 . 0 0 "[ . 1 . 2]" 1
1038 1 14 VAL MG2 1 36 ALA MB . . 5.840 2.619 2.334 2.994 . 0 0 "[ . 1 . 2]" 1
1039 1 14 VAL MG1 1 15 THR HA . . 5.290 3.888 3.774 4.074 . 0 0 "[ . 1 . 2]" 1
1040 1 14 VAL MG1 1 17 VAL HB . . 5.760 3.600 2.131 4.444 . 0 0 "[ . 1 . 2]" 1
1041 1 19 ALA MB 1 65 GLU HA . . 7.020 3.438 2.854 3.990 . 0 0 "[ . 1 . 2]" 1
1042 1 18 ALA HA 1 19 ALA MB . . 7.020 4.060 3.891 4.174 . 0 0 "[ . 1 . 2]" 1
1043 1 21 PRO HB3 1 22 ALA MB . . 6.660 5.274 5.089 5.436 . 0 0 "[ . 1 . 2]" 1
1044 1 23 VAL MG1 1 65 GLU HB2 . . 6.590 4.350 3.266 4.719 . 0 0 "[ . 1 . 2]" 1
1045 1 23 VAL MG1 1 27 LEU HB2 . . 6.550 4.378 3.993 4.682 . 0 0 "[ . 1 . 2]" 1
1046 1 27 LEU MD1 1 65 GLU HB2 . . 6.590 3.857 3.520 4.387 . 0 0 "[ . 1 . 2]" 1
1047 1 27 LEU MD1 1 28 MET H . . 7.020 4.483 4.354 4.626 . 0 0 "[ . 1 . 2]" 1
1048 1 27 LEU MD2 1 32 LEU H . . 6.800 4.995 4.747 5.357 . 0 0 "[ . 1 . 2]" 1
1049 1 28 MET HA 1 33 VAL MG2 . . 6.300 4.447 4.319 4.592 . 0 0 "[ . 1 . 2]" 1
1050 1 30 LEU HA 1 57 MET ME . . 6.770 3.939 2.283 4.708 . 0 0 "[ . 1 . 2]" 1
1051 1 30 LEU MD1 1 59 LEU HA . . 7.020 3.997 3.046 4.990 . 0 0 "[ . 1 . 2]" 1
1052 1 30 LEU MD2 1 57 MET ME . . 8.040 4.473 2.747 5.388 . 0 0 "[ . 1 . 2]" 1
1053 1 29 ASP HB3 1 30 LEU MD2 . . 6.550 4.027 3.654 4.359 . 0 0 "[ . 1 . 2]" 1
1054 1 31 GLY HA2 1 36 ALA MB . . 6.840 4.754 4.373 5.128 . 0 0 "[ . 1 . 2]" 1
1055 1 14 VAL HB 1 32 LEU MD2 . . 6.080 3.396 3.170 3.681 . 0 0 "[ . 1 . 2]" 1
1056 1 14 VAL MG2 1 34 ARG HA . . 5.870 4.612 4.377 4.811 . 0 0 "[ . 1 . 2]" 1
1057 1 35 GLY HA2 1 36 ALA MB . . 7.020 4.891 4.856 4.962 . 0 0 "[ . 1 . 2]" 1
1058 1 13 GLU HA 1 36 ALA MB . . 7.020 4.700 4.436 5.180 . 0 0 "[ . 1 . 2]" 1
1059 1 34 ARG H 1 36 ALA MB . . 7.020 4.752 4.593 4.912 . 0 0 "[ . 1 . 2]" 1
1060 1 40 VAL HA 1 50 ILE MG . . 5.720 3.990 3.693 4.210 . 0 0 "[ . 1 . 2]" 1
1061 1 40 VAL MG1 1 50 ILE MG . . 6.890 2.492 2.213 2.774 . 0 0 "[ . 1 . 2]" 1
1062 1 41 LEU MD1 1 52 VAL HA . . 5.940 3.507 3.190 4.216 . 0 0 "[ . 1 . 2]" 1
1063 1 41 LEU MD1 1 52 VAL H . . 6.510 3.830 3.422 4.528 . 0 0 "[ . 1 . 2]" 1
1064 1 45 PRO HA 1 46 LEU MD2 . . 6.770 4.741 4.603 4.901 . 0 0 "[ . 1 . 2]" 1
1065 1 50 ILE MD 1 62 ARG HA . . 7.020 4.877 4.296 5.172 . 0 0 "[ . 1 . 2]" 1
1066 1 51 GLU HB2 1 60 THR MG . . 7.020 4.856 4.319 5.668 . 0 0 "[ . 1 . 2]" 1
1067 1 40 VAL HA 1 52 VAL MG1 . . 5.580 1.785 1.551 2.177 . 0 0 "[ . 1 . 2]" 1
1068 1 57 MET HA 1 59 LEU MD2 . . 4.570 3.862 3.745 4.012 . 0 0 "[ . 1 . 2]" 1
1069 1 57 MET ME 1 59 LEU MD1 . . 7.320 3.996 2.067 4.916 . 0 0 "[ . 1 . 2]" 1
1070 1 55 ASN HB2 1 57 MET ME . . 7.020 3.233 2.090 5.507 . 0 0 "[ . 1 . 2]" 1
1071 1 55 ASN HB3 1 57 MET ME . . 7.020 3.163 1.922 4.415 . 0 0 "[ . 1 . 2]" 1
1072 1 49 PRO HA 1 60 THR MG . . 7.020 4.646 4.343 5.045 . 0 0 "[ . 1 . 2]" 1
1073 1 50 ILE MD 1 66 ALA HA . . 7.020 4.475 4.269 4.875 . 0 0 "[ . 1 . 2]" 1
1074 1 50 ILE MG 1 66 ALA MB . . 7.350 3.694 3.223 3.990 . 0 0 "[ . 1 . 2]" 1
1075 1 3 LEU H 1 66 ALA MB . . 6.730 4.012 3.824 4.296 . 0 0 "[ . 1 . 2]" 1
1076 1 17 VAL HB 1 69 ILE MG . . 5.830 3.847 2.353 4.629 . 0 0 "[ . 1 . 2]" 1
1077 1 14 VAL MG1 1 70 THR HB . . 6.730 4.760 4.499 5.012 . 0 0 "[ . 1 . 2]" 1
1078 1 70 THR MG 1 71 VAL HA . . 6.590 3.833 3.719 3.935 . 0 0 "[ . 1 . 2]" 1
1079 1 71 VAL MG2 1 73 ILE MD . . 7.210 4.152 2.857 4.709 . 0 0 "[ . 1 . 2]" 1
1080 1 8 ALA MB 1 43 PHE HB2 . . 7.020 4.414 3.635 5.049 . 0 0 "[ . 1 . 2]" 1
1081 1 32 LEU H 1 36 ALA MB . . 7.020 4.634 4.336 4.954 . 0 0 "[ . 1 . 2]" 1
1082 1 41 LEU MD2 1 42 ARG H . . 7.020 4.540 4.476 4.593 . 0 0 "[ . 1 . 2]" 1
1083 1 84 TRP HE3 1 85 PRO HD3 . . 6.000 4.338 3.546 5.191 . 0 0 "[ . 1 . 2]" 1
1084 1 4 SER HA 1 43 PHE HZ . . 5.030 4.292 3.274 5.073 0.043 15 0 "[ . 1 . 2]" 1
1085 1 72 HIS H 1 72 HIS HD2 . . 6.000 4.912 4.210 5.101 . 0 0 "[ . 1 . 2]" 1
1086 1 84 TRP HE3 1 85 PRO HD2 . . 6.000 3.408 2.706 4.729 . 0 0 "[ . 1 . 2]" 1
1087 1 43 PHE HZ 1 50 ILE MG . . 6.690 3.781 3.419 4.285 . 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 52
_Distance_constraint_stats_list.Viol_count 860
_Distance_constraint_stats_list.Viol_total 3129.915
_Distance_constraint_stats_list.Viol_max 0.590
_Distance_constraint_stats_list.Viol_rms 0.1422
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1505
_Distance_constraint_stats_list.Viol_average_violations_only 0.1820
_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 1 MET 2.921 0.258 12 0 "[ . 1 . 2]"
1 3 LEU 5.960 0.285 13 0 "[ . 1 . 2]"
1 9 GLY 3.747 0.504 8 1 "[ . + 1 . 2]"
1 10 ASP 8.417 0.468 10 0 "[ . 1 . 2]"
1 12 ALA 10.356 0.411 20 0 "[ . 1 . 2]"
1 13 GLU 6.658 0.360 16 0 "[ . 1 . 2]"
1 14 VAL 9.398 0.557 10 1 "[ . + . 2]"
1 15 THR 11.026 0.522 10 2 "[ . +- . 2]"
1 16 SER 1.737 0.353 3 0 "[ . 1 . 2]"
1 18 ALA 14.882 0.543 13 8 "[ * . -*** *+ .* 2]"
1 20 GLU 0.400 0.064 1 0 "[ . 1 . 2]"
1 23 VAL 9.171 0.553 4 1 "[ +. 1 . 2]"
1 24 ARG 7.416 0.523 5 1 "[ + 1 . 2]"
1 25 ARG 3.761 0.355 3 0 "[ . 1 . 2]"
1 27 LEU 13.013 0.553 4 1 "[ +. 1 . 2]"
1 28 MET 7.016 0.523 5 1 "[ + 1 . 2]"
1 29 ASP 3.761 0.355 3 0 "[ . 1 . 2]"
1 32 LEU 3.843 0.213 9 0 "[ . 1 . 2]"
1 35 GLY 3.629 0.264 11 0 "[ . 1 . 2]"
1 36 ALA 5.769 0.557 10 1 "[ . + . 2]"
1 38 LEU 10.356 0.411 20 0 "[ . 1 . 2]"
1 39 LYS 6.469 0.342 14 0 "[ . 1 . 2]"
1 40 VAL 12.163 0.504 8 1 "[ . + 1 . 2]"
1 42 ARG 7.647 0.509 9 1 "[ . +1 . 2]"
1 50 ILE 17.232 0.590 3 6 "[* + .* -*1 .* 2]"
1 51 GLU 7.647 0.509 9 1 "[ . +1 . 2]"
1 52 VAL 16.390 0.575 5 3 "[ + *- . 2]"
1 53 ASN 6.469 0.342 14 0 "[ . 1 . 2]"
1 54 CYS 1.310 0.193 4 0 "[ . 1 . 2]"
1 57 MET 1.310 0.193 4 0 "[ . 1 . 2]"
1 59 LEU 16.390 0.575 5 3 "[ + *- . 2]"
1 61 MET 17.232 0.590 3 6 "[* + .* -*1 .* 2]"
1 63 ARG 8.157 0.516 14 2 "[ . 1 - +. 2]"
1 67 GLU 8.157 0.516 14 2 "[ . 1 - +. 2]"
1 68 GLY 14.882 0.543 13 8 "[ * . -*** *+ .* 2]"
1 69 ILE 5.960 0.285 13 0 "[ . 1 . 2]"
1 70 THR 12.763 0.522 10 2 "[ . +- . 2]"
1 71 VAL 2.921 0.258 12 0 "[ . 1 . 2]"
1 72 HIS 6.658 0.360 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 3 LEU H 1 69 ILE O . . 1.800 1.937 1.797 2.081 0.281 7 0 "[ . 1 . 2]" 2
2 1 3 LEU N 1 69 ILE O . . 2.700 2.861 2.721 2.985 0.285 13 0 "[ . 1 . 2]" 2
3 1 9 GLY H 1 40 VAL O . . 1.800 1.890 1.696 2.304 0.504 8 1 "[ . + 1 . 2]" 2
4 1 9 GLY N 1 40 VAL O . . 2.700 2.764 2.616 3.033 0.333 8 0 "[ . 1 . 2]" 2
5 1 12 ALA H 1 38 LEU O . . 1.800 1.912 1.773 2.182 0.382 20 0 "[ . 1 . 2]" 2
6 1 12 ALA N 1 38 LEU O . . 2.700 2.872 2.745 3.111 0.411 20 0 "[ . 1 . 2]" 2
7 1 13 GLU H 1 72 HIS O . . 1.800 1.812 1.680 1.936 0.136 16 0 "[ . 1 . 2]" 2
8 1 13 GLU N 1 72 HIS O . . 2.700 2.770 2.660 2.887 0.187 16 0 "[ . 1 . 2]" 2
9 1 14 VAL H 1 36 ALA O . . 1.800 1.908 1.739 2.329 0.529 10 1 "[ . + . 2]" 2
10 1 14 VAL N 1 36 ALA O . . 2.700 2.872 2.717 3.257 0.557 10 1 "[ . + . 2]" 2
11 1 15 THR H 1 70 THR O . . 1.800 2.081 1.885 2.322 0.522 10 1 "[ . + . 2]" 2
12 1 15 THR N 1 70 THR O . . 2.700 2.970 2.794 3.204 0.504 11 1 "[ . 1+ . 2]" 2
13 1 18 ALA H 1 68 GLY O . . 1.800 2.209 1.893 2.343 0.543 13 8 "[ * . -*** *+ .* 2]" 2
14 1 18 ALA N 1 68 GLY O . . 2.700 3.035 2.797 3.174 0.474 16 0 "[ . 1 . 2]" 2
15 1 20 GLU O 1 24 ARG H . . 1.800 1.725 1.653 1.801 0.001 18 0 "[ . 1 . 2]" 2
16 1 20 GLU O 1 24 ARG N . . 2.700 2.696 2.611 2.764 0.064 1 0 "[ . 1 . 2]" 2
17 1 23 VAL O 1 27 LEU H . . 1.800 2.010 1.769 2.311 0.511 4 1 "[ +. 1 . 2]" 2
18 1 23 VAL O 1 27 LEU N . . 2.700 2.946 2.710 3.253 0.553 4 1 "[ +. 1 . 2]" 2
19 1 24 ARG O 1 28 MET H . . 1.800 1.957 1.746 2.303 0.503 5 1 "[ + 1 . 2]" 2
20 1 24 ARG O 1 28 MET N . . 2.700 2.888 2.690 3.223 0.523 5 1 "[ + 1 . 2]" 2
21 1 25 ARG O 1 29 ASP H . . 1.800 1.882 1.681 2.155 0.355 3 0 "[ . 1 . 2]" 2
22 1 25 ARG O 1 29 ASP N . . 2.700 2.775 2.622 2.959 0.259 12 0 "[ . 1 . 2]" 2
23 1 27 LEU O 1 32 LEU H . . 1.800 1.887 1.753 1.994 0.194 9 0 "[ . 1 . 2]" 2
24 1 27 LEU O 1 32 LEU N . . 2.700 2.801 2.689 2.913 0.213 9 0 "[ . 1 . 2]" 2
25 1 14 VAL O 1 35 GLY H . . 1.800 1.860 1.727 2.040 0.240 11 0 "[ . 1 . 2]" 2
26 1 14 VAL O 1 35 GLY N . . 2.700 2.814 2.704 2.964 0.264 11 0 "[ . 1 . 2]" 2
27 1 12 ALA O 1 38 LEU H . . 1.800 1.877 1.740 2.090 0.290 10 0 "[ . 1 . 2]" 2
28 1 12 ALA O 1 38 LEU N . . 2.700 2.850 2.724 3.074 0.374 10 0 "[ . 1 . 2]" 2
29 1 39 LYS H 1 53 ASN O . . 1.800 1.948 1.768 2.112 0.312 14 0 "[ . 1 . 2]" 2
30 1 39 LYS N 1 53 ASN O . . 2.700 2.874 2.713 3.042 0.342 14 0 "[ . 1 . 2]" 2
31 1 10 ASP O 1 40 VAL H . . 1.800 1.991 1.796 2.264 0.464 1 0 "[ . 1 . 2]" 2
32 1 10 ASP O 1 40 VAL N . . 2.700 2.929 2.739 3.168 0.468 10 0 "[ . 1 . 2]" 2
33 1 50 ILE H 1 61 MET O . . 1.800 1.809 1.650 2.037 0.237 3 0 "[ . 1 . 2]" 2
34 1 50 ILE N 1 61 MET O . . 2.700 2.788 2.630 3.015 0.315 3 0 "[ . 1 . 2]" 2
35 1 42 ARG O 1 51 GLU H . . 1.800 1.957 1.820 2.234 0.434 9 0 "[ . 1 . 2]" 2
36 1 42 ARG O 1 51 GLU N . . 2.700 2.925 2.791 3.209 0.509 9 1 "[ . +1 . 2]" 2
37 1 52 VAL H 1 59 LEU O . . 1.800 2.056 1.890 2.307 0.507 10 1 "[ . + . 2]" 2
38 1 52 VAL N 1 59 LEU O . . 2.700 3.030 2.863 3.275 0.575 5 3 "[ + *- . 2]" 2
39 1 54 CYS H 1 57 MET O . . 1.800 1.828 1.720 1.993 0.193 4 0 "[ . 1 . 2]" 2
40 1 54 CYS N 1 57 MET O . . 2.700 2.715 2.626 2.844 0.144 4 0 "[ . 1 . 2]" 2
41 1 52 VAL O 1 59 LEU H . . 1.800 1.877 1.713 2.197 0.397 10 0 "[ . 1 . 2]" 2
42 1 52 VAL O 1 59 LEU N . . 2.700 2.825 2.674 3.152 0.452 10 0 "[ . 1 . 2]" 2
43 1 50 ILE O 1 61 MET H . . 1.800 2.138 1.770 2.346 0.546 3 4 "[ + . -*1 .* 2]" 2
44 1 50 ILE O 1 61 MET N . . 2.700 3.086 2.744 3.290 0.590 3 6 "[* + .- **1 .* 2]" 2
45 1 63 ARG O 1 67 GLU H . . 1.800 2.012 1.679 2.316 0.516 14 2 "[ . 1 - +. 2]" 2
46 1 63 ARG O 1 67 GLU N . . 2.700 2.885 2.654 3.164 0.464 14 0 "[ . 1 . 2]" 2
47 1 16 SER O 1 70 THR H . . 1.800 1.813 1.705 2.098 0.298 3 0 "[ . 1 . 2]" 2
48 1 16 SER O 1 70 THR N . . 2.700 2.752 2.667 3.053 0.353 3 0 "[ . 1 . 2]" 2
49 1 1 MET O 1 71 VAL H . . 1.800 1.820 1.644 1.991 0.191 12 0 "[ . 1 . 2]" 2
50 1 1 MET O 1 71 VAL N . . 2.700 2.777 2.608 2.958 0.258 12 0 "[ . 1 . 2]" 2
51 1 13 GLU O 1 72 HIS H . . 1.800 1.885 1.694 2.128 0.328 16 0 "[ . 1 . 2]" 2
52 1 13 GLU O 1 72 HIS N . . 2.700 2.832 2.680 3.060 0.360 16 0 "[ . 1 . 2]" 2
stop_
save_