NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483626 |
1z1v   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z1v
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 566
_Distance_constraint_stats_list.Viol_count 53
_Distance_constraint_stats_list.Viol_total 4.077
_Distance_constraint_stats_list.Viol_max 0.263
_Distance_constraint_stats_list.Viol_rms 0.0303
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0769
_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 7 GLN 0.000 0.000 . 0 "[ ]"
1 8 TRP 0.420 0.260 1 0 "[ ]"
1 9 SER 0.061 0.061 1 0 "[ ]"
1 10 VAL 0.276 0.263 1 0 "[ ]"
1 11 ASP 0.016 0.013 1 0 "[ ]"
1 12 ASP 0.073 0.069 1 0 "[ ]"
1 13 VAL 0.110 0.110 1 0 "[ ]"
1 14 ILE 0.001 0.001 1 0 "[ ]"
1 15 THR 0.140 0.096 1 0 "[ ]"
1 16 TRP 0.143 0.096 1 0 "[ ]"
1 17 CYS 0.166 0.133 1 0 "[ ]"
1 18 ILE 0.212 0.173 1 0 "[ ]"
1 19 SER 0.062 0.062 1 0 "[ ]"
1 20 THR 0.235 0.173 1 0 "[ ]"
1 21 LEU 0.063 0.032 1 0 "[ ]"
1 22 GLU 0.000 0.000 . 0 "[ ]"
1 23 VAL 0.320 0.186 1 0 "[ ]"
1 24 GLU 0.186 0.186 1 0 "[ ]"
1 25 GLU 0.122 0.063 1 0 "[ ]"
1 26 THR 0.070 0.063 1 0 "[ ]"
1 27 ASP 0.072 0.049 1 0 "[ ]"
1 28 PRO 0.072 0.049 1 0 "[ ]"
1 29 LEU 0.099 0.099 1 0 "[ ]"
1 30 CYS 0.311 0.193 1 0 "[ ]"
1 31 GLN 0.071 0.071 1 0 "[ ]"
1 32 ARG 0.000 0.000 . 0 "[ ]"
1 33 LEU 0.099 0.099 1 0 "[ ]"
1 34 ARG 0.006 0.006 1 0 "[ ]"
1 35 GLU 0.116 0.101 1 0 "[ ]"
1 36 ASN 0.293 0.121 1 0 "[ ]"
1 37 ASP 0.063 0.063 1 0 "[ ]"
1 38 ILE 0.054 0.054 1 0 "[ ]"
1 39 VAL 0.110 0.110 1 0 "[ ]"
1 40 GLY 0.000 0.000 . 0 "[ ]"
1 41 ASP 0.012 0.012 1 0 "[ ]"
1 42 LEU 0.012 0.012 1 0 "[ ]"
1 43 LEU 0.000 0.000 . 0 "[ ]"
1 44 PRO 0.016 0.016 1 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LEU 0.203 0.077 1 0 "[ ]"
1 47 CYS 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 GLN 0.174 0.174 1 0 "[ ]"
1 50 ASP 0.050 0.050 1 0 "[ ]"
1 51 CYS 0.224 0.174 1 0 "[ ]"
1 52 GLN 0.011 0.011 1 0 "[ ]"
1 53 ASP 0.000 0.000 . 0 "[ ]"
1 54 LEU 0.085 0.066 1 0 "[ ]"
1 55 CYS 0.000 0.000 . 0 "[ ]"
1 56 ASP 0.234 0.234 1 0 "[ ]"
1 57 GLY 0.314 0.234 1 0 "[ ]"
1 58 ASP 0.114 0.114 1 0 "[ ]"
1 59 LEU 0.207 0.134 1 0 "[ ]"
1 60 ASN 0.206 0.134 1 0 "[ ]"
1 61 LYS 0.327 0.141 1 0 "[ ]"
1 62 ALA 0.262 0.141 1 0 "[ ]"
1 63 ILE 0.000 0.000 . 0 "[ ]"
1 64 LYS 0.032 0.032 1 0 "[ ]"
1 65 PHE 0.006 0.006 1 0 "[ ]"
1 66 LYS 0.037 0.037 1 0 "[ ]"
1 67 ILE 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.000 0.000 . 0 "[ ]"
1 69 ILE 0.146 0.131 1 0 "[ ]"
1 70 ASN 0.000 0.000 . 0 "[ ]"
1 71 LYS 0.000 0.000 . 0 "[ ]"
1 72 MET 0.148 0.131 1 0 "[ ]"
1 73 ARG 0.000 0.000 . 0 "[ ]"
1 75 SER 0.000 0.000 . 0 "[ ]"
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 8 TRP HA 1 9 SER H 4.600 . 4.600 2.282 2.282 2.282 . 0 0 "[ ]" 1
2 1 8 TRP HA 1 12 ASP HB2 5.000 . 5.000 4.789 4.789 4.789 . 0 0 "[ ]" 1
3 1 8 TRP HA 1 12 ASP HB3 5.000 . 5.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
4 1 8 TRP HB2 1 9 SER H . . 3.730 3.791 3.791 3.791 0.061 1 0 "[ ]" 1
5 1 8 TRP H 1 8 TRP HB3 . . 3.120 3.380 3.380 3.380 0.260 1 0 "[ ]" 1
6 1 9 SER H 1 9 SER HB3 . . 3.680 3.596 3.596 3.596 . 0 0 "[ ]" 1
7 1 9 SER HB2 1 10 VAL H 5.000 . 5.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
8 1 10 VAL H 1 10 VAL HA . . 2.900 2.659 2.659 2.659 . 0 0 "[ ]" 1
9 1 10 VAL HA 1 14 ILE H . . 4.400 4.102 4.102 4.102 . 0 0 "[ ]" 1
10 1 10 VAL HA 1 13 VAL H . . 3.520 3.350 3.350 3.350 . 0 0 "[ ]" 1
11 1 10 VAL HA 1 11 ASP H 5.000 . 5.000 3.509 3.509 3.509 . 0 0 "[ ]" 1
12 1 10 VAL H 1 10 VAL HB . . 3.150 3.413 3.413 3.413 0.263 1 0 "[ ]" 1
13 1 10 VAL HB 1 11 ASP H . . 3.620 3.633 3.633 3.633 0.013 1 0 "[ ]" 1
14 1 11 ASP HA 1 14 ILE H . . 4.730 3.568 3.568 3.568 . 0 0 "[ ]" 1
15 1 9 SER H 1 12 ASP HB3 . . 3.950 3.145 3.145 3.145 . 0 0 "[ ]" 1
16 1 12 ASP HB3 1 13 VAL H 5.000 . 5.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
17 1 12 ASP HB2 1 13 VAL H 5.000 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 1
18 1 12 ASP H 1 12 ASP HB2 . . 3.650 2.454 2.454 2.454 . 0 0 "[ ]" 1
19 1 12 ASP H 1 12 ASP HB3 . . 3.550 2.712 2.712 2.712 . 0 0 "[ ]" 1
20 1 13 VAL HA 1 16 TRP HB2 5.000 . 5.000 3.449 3.449 3.449 . 0 0 "[ ]" 1
21 1 13 VAL HB 1 14 ILE H . . 3.620 2.399 2.399 2.399 . 0 0 "[ ]" 1
22 1 13 VAL H 1 13 VAL HB . . 3.170 2.591 2.591 2.591 . 0 0 "[ ]" 1
23 1 14 ILE HA 1 15 THR H 5.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
24 1 14 ILE HA 1 16 TRP H 5.000 . 5.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
25 1 14 ILE H 1 14 ILE HB . . 3.350 2.582 2.582 2.582 . 0 0 "[ ]" 1
26 1 14 ILE HB 1 15 THR H 5.000 . 5.000 2.556 2.556 2.556 . 0 0 "[ ]" 1
27 1 11 ASP HA 1 14 ILE HB 5.000 . 5.000 2.998 2.998 2.998 . 0 0 "[ ]" 1
28 1 15 THR H 1 15 THR HA . . 3.050 2.731 2.731 2.731 . 0 0 "[ ]" 1
29 1 16 TRP HA 1 17 CYS H . . 4.550 3.613 3.613 3.613 . 0 0 "[ ]" 1
30 1 16 TRP H 1 16 TRP HA . . 3.050 2.790 2.790 2.790 . 0 0 "[ ]" 1
31 1 16 TRP HA 1 19 SER H 5.000 . 5.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
32 1 16 TRP HA 1 19 SER HB2 4.480 . 4.480 2.865 2.865 2.865 . 0 0 "[ ]" 1
33 1 16 TRP HB3 1 17 CYS H . . 3.170 2.585 2.585 2.585 . 0 0 "[ ]" 1
34 1 16 TRP HB2 1 17 CYS H 5.000 . 5.000 3.942 3.942 3.942 . 0 0 "[ ]" 1
35 1 66 LYS HA 1 69 ILE H 5.000 . 5.000 3.364 3.364 3.364 . 0 0 "[ ]" 1
36 1 16 TRP H 1 16 TRP HB3 . . 3.000 2.573 2.573 2.573 . 0 0 "[ ]" 1
37 1 17 CYS HA 1 18 ILE H 5.000 . 5.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
38 1 17 CYS HA 1 21 LEU H . . 3.800 3.358 3.358 3.358 . 0 0 "[ ]" 1
39 1 17 CYS HA 1 20 THR H 5.000 . 5.000 3.483 3.483 3.483 . 0 0 "[ ]" 1
40 1 16 TRP HB3 1 17 CYS HA 5.000 . 5.000 4.209 4.209 4.209 . 0 0 "[ ]" 1
41 1 17 CYS H 1 17 CYS HB3 . . 3.330 3.463 3.463 3.463 0.133 1 0 "[ ]" 1
42 1 17 CYS HB3 1 18 ILE H . . 4.050 3.718 3.718 3.718 . 0 0 "[ ]" 1
43 1 17 CYS H 1 17 CYS HB2 . . 3.650 2.542 2.542 2.542 . 0 0 "[ ]" 1
44 1 17 CYS HB2 1 18 ILE H . . 3.930 2.550 2.550 2.550 . 0 0 "[ ]" 1
45 1 18 ILE HA 1 19 SER H 5.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
46 1 18 ILE HA 1 23 VAL H . . 3.700 2.430 2.430 2.430 . 0 0 "[ ]" 1
47 1 18 ILE H 1 18 ILE HB . . 2.920 2.625 2.625 2.625 . 0 0 "[ ]" 1
48 1 18 ILE HB 1 19 SER H . . 3.300 2.354 2.354 2.354 . 0 0 "[ ]" 1
49 1 19 SER HA 1 20 THR H 5.000 . 5.000 3.486 3.486 3.486 . 0 0 "[ ]" 1
50 1 20 THR H 1 20 THR HA . . 3.100 2.877 2.877 2.877 . 0 0 "[ ]" 1
51 1 21 LEU HA 1 22 GLU H 5.000 . 5.000 3.398 3.398 3.398 . 0 0 "[ ]" 1
52 1 22 GLU H 1 22 GLU HA . . 2.770 2.236 2.236 2.236 . 0 0 "[ ]" 1
53 1 22 GLU HA 1 23 VAL H . . 3.380 2.657 2.657 2.657 . 0 0 "[ ]" 1
54 1 22 GLU H 1 22 GLU HB2 . . 3.330 3.083 3.083 3.083 . 0 0 "[ ]" 1
55 1 22 GLU HB2 1 23 VAL H 5.000 . 5.000 4.612 4.612 4.612 . 0 0 "[ ]" 1
56 1 23 VAL HA 1 24 GLU H 5.000 . 5.000 2.288 2.288 2.288 . 0 0 "[ ]" 1
57 1 23 VAL HB 1 24 GLU H 4.620 . 4.620 2.199 2.199 2.199 . 0 0 "[ ]" 1
58 1 24 GLU HA 1 25 GLU H . . 3.300 2.355 2.355 2.355 . 0 0 "[ ]" 1
59 1 24 GLU H 1 24 GLU HB3 4.350 . 4.350 3.686 3.686 3.686 . 0 0 "[ ]" 1
60 1 25 GLU HA 1 26 THR H 5.000 . 5.000 3.362 3.362 3.362 . 0 0 "[ ]" 1
61 1 38 ILE HA 1 39 VAL H . . 2.950 2.180 2.180 2.180 . 0 0 "[ ]" 1
62 1 26 THR HA 1 27 ASP H . . 4.170 3.252 3.252 3.252 . 0 0 "[ ]" 1
63 1 27 ASP H 1 27 ASP HB2 . . 3.020 2.485 2.485 2.485 . 0 0 "[ ]" 1
64 1 27 ASP H 1 27 ASP HB3 . . 3.250 2.608 2.608 2.608 . 0 0 "[ ]" 1
65 1 28 PRO HA 1 29 LEU H 5.000 . 5.000 3.576 3.576 3.576 . 0 0 "[ ]" 1
66 1 28 PRO HA 1 32 ARG H 5.000 . 5.000 3.893 3.893 3.893 . 0 0 "[ ]" 1
67 1 28 PRO HA 1 31 GLN H . . 3.750 3.424 3.424 3.424 . 0 0 "[ ]" 1
68 1 28 PRO HB2 1 29 LEU H 5.000 . 5.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
69 1 28 PRO HD3 1 29 LEU H 5.000 . 5.000 4.284 4.284 4.284 . 0 0 "[ ]" 1
70 1 28 PRO HA 1 28 PRO HD3 4.230 . 4.230 3.262 3.262 3.262 . 0 0 "[ ]" 1
71 1 29 LEU H 1 29 LEU HB3 . . 3.480 2.603 2.603 2.603 . 0 0 "[ ]" 1
72 1 30 CYS HA 1 33 LEU H 5.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
73 1 30 CYS HA 1 34 ARG H 5.000 . 5.000 3.934 3.934 3.934 . 0 0 "[ ]" 1
74 1 30 CYS H 1 30 CYS HA . . 2.900 2.722 2.722 2.722 . 0 0 "[ ]" 1
75 1 30 CYS HA 1 33 LEU HB3 4.800 . 4.800 2.576 2.576 2.576 . 0 0 "[ ]" 1
76 1 30 CYS HA 1 33 LEU HB2 5.000 . 5.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
77 1 30 CYS HB3 1 31 GLN H . . 3.480 3.551 3.551 3.551 0.071 1 0 "[ ]" 1
78 1 30 CYS H 1 30 CYS HB3 . . 3.150 3.343 3.343 3.343 0.193 1 0 "[ ]" 1
79 1 30 CYS HB2 1 31 GLN H . . 4.280 2.507 2.507 2.507 . 0 0 "[ ]" 1
80 1 30 CYS H 1 30 CYS HB2 . . 3.620 2.321 2.321 2.321 . 0 0 "[ ]" 1
81 1 32 ARG HB2 1 33 LEU H 5.000 . 5.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
82 1 32 ARG HB3 1 33 LEU H 4.670 . 4.670 3.744 3.744 3.744 . 0 0 "[ ]" 1
83 1 35 GLU HB2 1 36 ASN H . . 3.580 3.681 3.681 3.681 0.101 1 0 "[ ]" 1
84 1 35 GLU HB3 1 36 ASN H 5.000 . 5.000 2.444 2.444 2.444 . 0 0 "[ ]" 1
85 1 33 LEU H 1 33 LEU HB3 . . 3.080 2.516 2.516 2.516 . 0 0 "[ ]" 1
86 1 33 LEU H 1 33 LEU HB2 . . 3.880 2.304 2.304 2.304 . 0 0 "[ ]" 1
87 1 33 LEU HB3 1 34 ARG H 5.000 . 5.000 2.456 2.456 2.456 . 0 0 "[ ]" 1
88 1 33 LEU HB2 1 34 ARG H . . 3.800 3.731 3.731 3.731 . 0 0 "[ ]" 1
89 1 29 LEU HB2 1 30 CYS H 5.000 . 5.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
90 1 34 ARG HA 1 35 GLU H 5.000 . 5.000 3.516 3.516 3.516 . 0 0 "[ ]" 1
91 1 34 ARG HB3 1 35 GLU H 4.530 . 4.530 2.775 2.775 2.775 . 0 0 "[ ]" 1
92 1 34 ARG H 1 34 ARG HB3 . . 2.770 2.748 2.748 2.748 . 0 0 "[ ]" 1
93 1 36 ASN H 1 36 ASN HB3 . . 3.480 3.601 3.601 3.601 0.121 1 0 "[ ]" 1
94 1 36 ASN H 1 36 ASN HB2 . . 3.430 2.433 2.433 2.433 . 0 0 "[ ]" 1
95 1 37 ASP H 1 37 ASP HB2 . . 3.930 3.049 3.049 3.049 . 0 0 "[ ]" 1
96 1 39 VAL HA 1 40 GLY H . . 3.380 2.417 2.417 2.417 . 0 0 "[ ]" 1
97 1 39 VAL HB 1 40 GLY H . . 3.350 2.429 2.429 2.429 . 0 0 "[ ]" 1
98 1 40 GLY H 1 40 GLY HA2 . . 3.120 2.807 2.807 2.807 . 0 0 "[ ]" 1
99 1 41 ASP HA 1 42 LEU H 4.500 . 4.500 3.462 3.462 3.462 . 0 0 "[ ]" 1
100 1 41 ASP H 1 41 ASP HB3 . . 2.900 2.602 2.602 2.602 . 0 0 "[ ]" 1
101 1 41 ASP HB2 1 42 LEU H . . 3.750 3.762 3.762 3.762 0.012 1 0 "[ ]" 1
102 1 45 GLU HA 1 46 LEU H . . 4.170 3.476 3.476 3.476 . 0 0 "[ ]" 1
103 1 42 LEU H 1 42 LEU HB3 . . 3.500 2.553 2.553 2.553 . 0 0 "[ ]" 1
104 1 42 LEU H 1 42 LEU HB2 . . 2.850 2.422 2.422 2.422 . 0 0 "[ ]" 1
105 1 42 LEU HB2 1 43 LEU H 5.000 . 5.000 4.019 4.019 4.019 . 0 0 "[ ]" 1
106 1 42 LEU HB3 1 43 LEU H . . 4.730 3.047 3.047 3.047 . 0 0 "[ ]" 1
107 1 38 ILE HA 1 42 LEU HB3 5.000 . 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 1
108 1 38 ILE HA 1 42 LEU HB2 5.000 . 5.000 4.299 4.299 4.299 . 0 0 "[ ]" 1
109 1 61 LYS HA 1 62 ALA H 5.000 . 5.000 3.477 3.477 3.477 . 0 0 "[ ]" 1
110 1 43 LEU HA 1 46 LEU H 5.000 . 5.000 3.323 3.323 3.323 . 0 0 "[ ]" 1
111 1 51 CYS HA 1 53 ASP H 5.000 . 5.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
112 1 46 LEU HA 1 50 ASP HB3 5.000 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
113 1 46 LEU HA 1 50 ASP HB2 5.000 . 5.000 3.304 3.304 3.304 . 0 0 "[ ]" 1
114 1 47 CYS H 1 47 CYS HB3 . . 3.930 3.574 3.574 3.574 . 0 0 "[ ]" 1
115 1 50 ASP HB2 1 51 CYS H . . 3.100 2.552 2.552 2.552 . 0 0 "[ ]" 1
116 1 50 ASP HB3 1 51 CYS H . . 3.480 3.530 3.530 3.530 0.050 1 0 "[ ]" 1
117 1 50 ASP H 1 50 ASP HB3 . . 3.770 3.627 3.627 3.627 . 0 0 "[ ]" 1
118 1 50 ASP H 1 50 ASP HB2 . . 3.700 2.498 2.498 2.498 . 0 0 "[ ]" 1
119 1 44 PRO HA 1 45 GLU H 5.000 . 5.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
120 1 51 CYS HB3 1 52 GLN H 5.000 . 5.000 2.694 2.694 2.694 . 0 0 "[ ]" 1
121 1 51 CYS HB2 1 52 GLN H . . 3.950 3.808 3.808 3.808 . 0 0 "[ ]" 1
122 1 51 CYS H 1 51 CYS HB3 . . 3.330 2.654 2.654 2.654 . 0 0 "[ ]" 1
123 1 52 GLN HA 1 57 GLY H 5.000 . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
124 1 52 GLN HA 1 53 ASP H 5.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
125 1 52 GLN HA 1 62 ALA H 5.000 . 5.000 4.717 4.717 4.717 . 0 0 "[ ]" 1
126 1 52 GLN HA 1 55 CYS H 5.000 . 5.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
127 1 52 GLN HA 1 55 CYS HB3 5.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
128 1 52 GLN HA 1 55 CYS HB2 5.000 . 5.000 4.873 4.873 4.873 . 0 0 "[ ]" 1
129 1 52 GLN H 1 52 GLN HB3 . . 3.250 2.587 2.587 2.587 . 0 0 "[ ]" 1
130 1 52 GLN H 1 52 GLN HB2 . . 3.120 2.361 2.361 2.361 . 0 0 "[ ]" 1
131 1 52 GLN HB3 1 53 ASP H 5.000 . 5.000 2.476 2.476 2.476 . 0 0 "[ ]" 1
132 1 52 GLN HB2 1 53 ASP H 5.000 . 5.000 3.732 3.732 3.732 . 0 0 "[ ]" 1
133 1 61 LYS HB2 1 62 ALA H . . 3.250 3.391 3.391 3.391 0.141 1 0 "[ ]" 1
134 1 54 LEU H 1 54 LEU HB2 . . 3.050 2.179 2.179 2.179 . 0 0 "[ ]" 1
135 1 55 CYS HA 1 56 ASP H 5.000 . 5.000 3.227 3.227 3.227 . 0 0 "[ ]" 1
136 1 55 CYS HB3 1 56 ASP H 5.000 . 5.000 4.343 4.343 4.343 . 0 0 "[ ]" 1
137 1 55 CYS HB2 1 56 ASP H 5.000 . 5.000 4.198 4.198 4.198 . 0 0 "[ ]" 1
138 1 56 ASP HA 1 57 GLY H 4.420 . 4.420 2.092 2.092 2.092 . 0 0 "[ ]" 1
139 1 56 ASP H 1 56 ASP HB3 . . 4.100 3.501 3.501 3.501 . 0 0 "[ ]" 1
140 1 56 ASP H 1 56 ASP HB2 . . 3.620 2.875 2.875 2.875 . 0 0 "[ ]" 1
141 1 57 GLY H 1 57 GLY HA3 . . 2.750 2.830 2.830 2.830 0.080 1 0 "[ ]" 1
142 1 57 GLY HA2 1 58 ASP H . . 3.580 3.293 3.293 3.293 . 0 0 "[ ]" 1
143 1 57 GLY HA3 1 58 ASP H . . 3.750 3.509 3.509 3.509 . 0 0 "[ ]" 1
144 1 58 ASP HA 1 59 LEU H 5.000 . 5.000 2.104 2.104 2.104 . 0 0 "[ ]" 1
145 1 58 ASP H 1 58 ASP HB3 . . 2.850 2.616 2.616 2.616 . 0 0 "[ ]" 1
146 1 58 ASP H 1 58 ASP HB2 . . 3.000 2.736 2.736 2.736 . 0 0 "[ ]" 1
147 1 59 LEU HB3 1 60 ASN H . . 3.050 3.184 3.184 3.184 0.134 1 0 "[ ]" 1
148 1 59 LEU HB2 1 60 ASN H 5.000 . 5.000 2.677 2.677 2.677 . 0 0 "[ ]" 1
149 1 60 ASN H 1 60 ASN HB3 . . 2.800 2.679 2.679 2.679 . 0 0 "[ ]" 1
150 1 60 ASN HB2 1 61 LYS H . . 3.430 3.501 3.501 3.501 0.071 1 0 "[ ]" 1
151 1 60 ASN HB3 1 61 LYS H . . 3.200 2.187 2.187 2.187 . 0 0 "[ ]" 1
152 1 61 LYS H 1 61 LYS HB2 . . 3.230 2.241 2.241 2.241 . 0 0 "[ ]" 1
153 1 61 LYS HB3 1 62 ALA H 5.000 . 5.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
154 1 61 LYS H 1 61 LYS HB3 . . 2.800 2.659 2.659 2.659 . 0 0 "[ ]" 1
155 1 63 ILE H 1 63 ILE HB 4.350 . 4.350 2.507 2.507 2.507 . 0 0 "[ ]" 1
156 1 63 ILE HB 1 64 LYS H 5.000 . 5.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
157 1 60 ASN HA 1 63 ILE HB 5.000 . 5.000 3.300 3.300 3.300 . 0 0 "[ ]" 1
158 1 64 LYS HA 1 67 ILE H 5.000 . 5.000 3.539 3.539 3.539 . 0 0 "[ ]" 1
159 1 64 LYS HA 1 65 PHE H . . 4.100 3.504 3.504 3.504 . 0 0 "[ ]" 1
160 1 65 PHE HA 1 66 LYS H 5.000 . 5.000 3.540 3.540 3.540 . 0 0 "[ ]" 1
161 1 65 PHE HA 1 68 LEU H 5.000 . 5.000 3.501 3.501 3.501 . 0 0 "[ ]" 1
162 1 65 PHE HA 1 68 LEU HB3 5.000 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
163 1 65 PHE HA 1 68 LEU HB2 5.000 . 5.000 2.683 2.683 2.683 . 0 0 "[ ]" 1
164 1 65 PHE HB3 1 66 LYS H 5.000 . 5.000 2.586 2.586 2.586 . 0 0 "[ ]" 1
165 1 65 PHE HB2 1 66 LYS H 5.000 . 5.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
166 1 65 PHE H 1 65 PHE HB2 . . 3.080 2.441 2.441 2.441 . 0 0 "[ ]" 1
167 1 62 ALA HA 1 65 PHE HB2 5.000 . 5.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
168 1 62 ALA HA 1 65 PHE HB3 5.000 . 5.000 2.887 2.887 2.887 . 0 0 "[ ]" 1
169 1 67 ILE HA 1 70 ASN H 5.000 . 5.000 3.415 3.415 3.415 . 0 0 "[ ]" 1
170 1 67 ILE HA 1 68 LEU H . . 4.800 3.498 3.498 3.498 . 0 0 "[ ]" 1
171 1 67 ILE HA 1 70 ASN HB3 5.000 . 5.000 3.403 3.403 3.403 . 0 0 "[ ]" 1
172 1 67 ILE HB 1 68 LEU H . . 2.850 2.609 2.609 2.609 . 0 0 "[ ]" 1
173 1 68 LEU HA 1 69 ILE H 5.000 . 5.000 3.525 3.525 3.525 . 0 0 "[ ]" 1
174 1 68 LEU HB3 1 69 ILE H . . 3.700 3.687 3.687 3.687 . 0 0 "[ ]" 1
175 1 69 ILE HA 1 72 MET H 5.000 . 5.000 3.088 3.088 3.088 . 0 0 "[ ]" 1
176 1 69 ILE HB 1 70 ASN H . . 3.300 2.798 2.798 2.798 . 0 0 "[ ]" 1
177 1 66 LYS HA 1 69 ILE HB 5.000 . 5.000 2.758 2.758 2.758 . 0 0 "[ ]" 1
178 1 70 ASN HA 1 71 LYS H 5.000 . 5.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
179 1 71 LYS H 1 71 LYS HB2 . . 2.980 2.513 2.513 2.513 . 0 0 "[ ]" 1
180 1 71 LYS HB3 1 72 MET H 5.000 . 5.000 3.533 3.533 3.533 . 0 0 "[ ]" 1
181 1 72 MET H 1 72 MET HB3 . . 3.270 2.502 2.502 2.502 . 0 0 "[ ]" 1
182 1 16 TRP H 1 16 TRP HB2 . . 3.120 2.581 2.581 2.581 . 0 0 "[ ]" 1
183 1 21 LEU H 1 22 GLU HA 5.000 . 5.000 4.591 4.591 4.591 . 0 0 "[ ]" 1
184 1 27 ASP HB2 1 30 CYS H 5.000 . 5.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
185 1 23 VAL H 1 23 VAL HB . . 3.850 3.674 3.674 3.674 . 0 0 "[ ]" 1
186 1 31 GLN H 1 31 GLN HB3 . . 2.880 2.558 2.558 2.558 . 0 0 "[ ]" 1
187 1 46 LEU H 1 46 LEU HB3 . . 3.480 2.651 2.651 2.651 . 0 0 "[ ]" 1
188 1 24 GLU H 1 27 ASP HB2 5.000 . 5.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
189 1 27 ASP HB3 1 30 CYS H 5.000 . 5.000 2.740 2.740 2.740 . 0 0 "[ ]" 1
190 1 28 PRO HA 1 30 CYS H 5.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
191 1 17 CYS HB2 1 18 ILE HA 4.950 . 4.950 4.132 4.132 4.132 . 0 0 "[ ]" 1
192 1 19 SER H 1 20 THR HA 5.000 . 5.000 5.062 5.062 5.062 0.062 1 0 "[ ]" 1
193 1 40 GLY HA2 1 43 LEU HB2 5.000 . 5.000 2.502 2.502 2.502 . 0 0 "[ ]" 1
194 1 55 CYS H 1 56 ASP HA 5.000 . 5.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
195 1 9 SER H 1 12 ASP HB2 . . 3.850 3.443 3.443 3.443 . 0 0 "[ ]" 1
196 1 8 TRP HA 1 8 TRP HD1 5.000 . 5.000 2.677 2.677 2.677 . 0 0 "[ ]" 1
197 1 8 TRP HE3 1 12 ASP HB3 5.000 . 5.000 3.370 3.370 3.370 . 0 0 "[ ]" 1
198 1 8 TRP HE3 1 12 ASP HB2 5.000 . 5.000 5.069 5.069 5.069 0.069 1 0 "[ ]" 1
199 1 8 TRP HE3 1 13 VAL HA 5.000 . 5.000 2.129 2.129 2.129 . 0 0 "[ ]" 1
200 1 13 VAL HA 1 16 TRP HE3 5.000 . 5.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
201 1 13 VAL HB 1 14 ILE QG 5.000 . 5.000 3.329 3.329 3.329 . 0 0 "[ ]" 1
202 1 14 ILE HA 1 18 ILE QG 5.000 . 5.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
203 1 16 TRP HA 1 16 TRP HD1 5.000 . 5.000 2.873 2.873 2.873 . 0 0 "[ ]" 1
204 1 8 TRP HH2 1 16 TRP HA 5.000 . 5.000 5.030 5.030 5.030 0.030 1 0 "[ ]" 1
205 1 17 CYS HB3 1 18 ILE QG 5.000 . 5.000 4.945 4.945 4.945 . 0 0 "[ ]" 1
206 1 22 GLU H 1 22 GLU HG2 5.000 . 5.000 4.877 4.877 4.877 . 0 0 "[ ]" 1
207 1 22 GLU HG2 1 23 VAL H 5.000 . 5.000 4.730 4.730 4.730 . 0 0 "[ ]" 1
208 1 22 GLU H 1 22 GLU HG3 5.000 . 5.000 4.562 4.562 4.562 . 0 0 "[ ]" 1
209 1 23 VAL HB 1 27 ASP HB2 5.000 . 5.000 2.159 2.159 2.159 . 0 0 "[ ]" 1
210 1 23 VAL HB 1 27 ASP HB3 5.000 . 5.000 2.901 2.901 2.901 . 0 0 "[ ]" 1
211 1 24 GLU H 1 24 GLU HG3 5.000 . 5.000 2.642 2.642 2.642 . 0 0 "[ ]" 1
212 1 24 GLU H 1 24 GLU HG2 5.000 . 5.000 3.801 3.801 3.801 . 0 0 "[ ]" 1
213 1 25 GLU H 1 25 GLU HG2 5.000 . 5.000 3.386 3.386 3.386 . 0 0 "[ ]" 1
214 1 25 GLU H 1 25 GLU HG3 . . 3.080 1.794 1.794 1.794 0.006 1 0 "[ ]" 1
215 1 25 GLU HG2 1 26 THR H 5.000 . 5.000 4.315 4.315 4.315 . 0 0 "[ ]" 1
216 1 25 GLU HG3 1 26 THR H . . 3.430 3.437 3.437 3.437 0.007 1 0 "[ ]" 1
217 1 27 ASP HB2 1 28 PRO HD3 5.000 . 5.000 4.807 4.807 4.807 . 0 0 "[ ]" 1
218 1 27 ASP HB2 1 28 PRO HD2 5.000 . 5.000 3.659 3.659 3.659 . 0 0 "[ ]" 1
219 1 27 ASP HB3 1 28 PRO HG2 5.000 . 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
220 1 29 LEU H 1 29 LEU HG 5.000 . 5.000 4.674 4.674 4.674 . 0 0 "[ ]" 1
221 1 31 GLN H 1 31 GLN HG2 5.000 . 5.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
222 1 31 GLN HG2 1 32 ARG H 5.000 . 5.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
223 1 52 GLN H 1 52 GLN HG3 5.000 . 5.000 4.356 4.356 4.356 . 0 0 "[ ]" 1
224 1 35 GLU H 1 35 GLU HG3 5.000 . 5.000 4.334 4.334 4.334 . 0 0 "[ ]" 1
225 1 35 GLU H 1 35 GLU HG2 5.000 . 5.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
226 1 35 GLU HG2 1 36 ASN H 5.000 . 5.000 3.853 3.853 3.853 . 0 0 "[ ]" 1
227 1 35 GLU HG3 1 36 ASN H 5.000 . 5.000 4.791 4.791 4.791 . 0 0 "[ ]" 1
228 1 43 LEU HB3 1 44 PRO HD2 5.000 . 5.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
229 1 34 ARG HG2 1 35 GLU H 5.000 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
230 1 34 ARG H 1 34 ARG HG2 5.000 . 5.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
231 1 34 ARG H 1 34 ARG HG3 5.000 . 5.000 4.657 4.657 4.657 . 0 0 "[ ]" 1
232 1 43 LEU H 1 44 PRO HD3 . . 3.600 2.949 2.949 2.949 . 0 0 "[ ]" 1
233 1 46 LEU HB2 1 50 ASP HB2 5.000 . 5.000 2.311 2.311 2.311 . 0 0 "[ ]" 1
234 1 46 LEU HB2 1 50 ASP HB3 5.000 . 5.000 2.176 2.176 2.176 . 0 0 "[ ]" 1
235 1 32 ARG H 1 32 ARG HG2 5.000 . 5.000 2.181 2.181 2.181 . 0 0 "[ ]" 1
236 1 32 ARG H 1 32 ARG HG3 5.000 . 5.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
237 1 68 LEU H 1 68 LEU HG 5.000 . 5.000 2.197 2.197 2.197 . 0 0 "[ ]" 1
238 1 52 GLN H 1 52 GLN HG2 5.000 . 5.000 4.480 4.480 4.480 . 0 0 "[ ]" 1
239 1 55 CYS HB3 1 61 LYS HB2 5.000 . 5.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
240 1 55 CYS HB3 1 61 LYS HB3 5.000 . 5.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
241 1 61 LYS H 1 61 LYS HG3 5.000 . 5.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
242 1 58 ASP HB3 1 61 LYS HG2 5.000 . 5.000 3.343 3.343 3.343 . 0 0 "[ ]" 1
243 1 55 CYS HB2 1 61 LYS HG3 5.000 . 5.000 3.474 3.474 3.474 . 0 0 "[ ]" 1
244 1 71 LYS HE3 1 71 LYS HG3 4.120 . 4.120 2.502 2.502 2.502 . 0 0 "[ ]" 1
245 1 16 TRP HZ2 1 72 MET HB3 5.000 . 5.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
246 1 16 TRP HZ2 1 72 MET HG2 5.000 . 5.000 3.608 3.608 3.608 . 0 0 "[ ]" 1
247 1 8 TRP HH2 1 72 MET HG2 5.000 . 5.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
248 1 69 ILE HA 1 72 MET HG2 5.000 . 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
249 1 69 ILE QG 1 72 MET HG2 5.000 . 5.000 5.131 5.131 5.131 0.131 1 0 "[ ]" 1
250 1 8 TRP HZ2 1 72 MET HG3 5.000 . 5.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
251 1 8 TRP HH2 1 72 MET HG3 5.000 . 5.000 3.360 3.360 3.360 . 0 0 "[ ]" 1
252 1 72 MET H 1 72 MET HG2 5.000 . 5.000 4.375 4.375 4.375 . 0 0 "[ ]" 1
253 1 8 TRP HZ3 1 72 MET HG3 5.000 . 5.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
254 1 16 TRP HE1 1 72 MET HG3 5.000 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
255 1 8 TRP HB3 1 12 ASP HB2 5.000 . 5.000 3.792 3.792 3.792 . 0 0 "[ ]" 1
256 1 38 ILE H 1 38 ILE QG 5.000 . 5.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
257 1 25 GLU HA 1 30 CYS HB2 5.000 . 5.000 3.100 3.100 3.100 . 0 0 "[ ]" 1
258 1 16 TRP HH2 1 69 ILE HA 5.000 . 5.000 2.867 2.867 2.867 . 0 0 "[ ]" 1
259 1 44 PRO HG3 1 69 ILE QG 5.000 . 5.000 5.016 5.016 5.016 0.016 1 0 "[ ]" 1
260 1 44 PRO HD3 1 69 ILE QG 5.000 . 5.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
261 1 52 GLN HG2 1 57 GLY HA2 5.000 . 5.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
262 1 27 ASP HB3 1 28 PRO HD3 5.000 . 5.000 4.857 4.857 4.857 . 0 0 "[ ]" 1
263 1 27 ASP HB3 1 28 PRO HD2 5.000 . 5.000 3.719 3.719 3.719 . 0 0 "[ ]" 1
264 1 58 ASP HB3 1 61 LYS HB2 5.000 . 5.000 2.238 2.238 2.238 . 0 0 "[ ]" 1
265 1 55 CYS HB2 1 61 LYS HB2 5.000 . 5.000 3.224 3.224 3.224 . 0 0 "[ ]" 1
266 1 28 PRO HD2 1 29 LEU H 5.000 . 5.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
267 1 27 ASP H 1 28 PRO HD2 5.000 . 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
268 1 27 ASP H 1 28 PRO HD3 5.000 . 5.000 5.049 5.049 5.049 0.049 1 0 "[ ]" 1
269 1 17 CYS HB2 1 21 LEU HB2 5.000 . 5.000 5.031 5.031 5.031 0.031 1 0 "[ ]" 1
270 1 61 LYS H 1 61 LYS HG2 5.000 . 5.000 4.614 4.614 4.614 . 0 0 "[ ]" 1
271 1 61 LYS HG2 1 62 ALA H 5.000 . 5.000 4.225 4.225 4.225 . 0 0 "[ ]" 1
272 1 61 LYS HG3 1 62 ALA H 5.000 . 5.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
273 1 25 GLU HB3 1 30 CYS HB3 5.000 . 5.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
274 1 25 GLU HB3 1 30 CYS HB2 5.000 . 5.000 5.047 5.047 5.047 0.047 1 0 "[ ]" 1
275 1 55 CYS HB2 1 61 LYS HA 5.000 . 5.000 4.967 4.967 4.967 . 0 0 "[ ]" 1
276 1 10 VAL HA 1 10 VAL MG1 3.730 . 3.730 2.282 2.282 2.282 . 0 0 "[ ]" 1
277 1 10 VAL H 1 10 VAL MG1 . . 2.500 2.114 2.114 2.114 . 0 0 "[ ]" 1
278 1 10 VAL MG2 1 11 ASP H . . 2.800 2.178 2.178 2.178 . 0 0 "[ ]" 1
279 1 14 ILE HA 1 14 ILE MD 3.930 . 3.930 2.079 2.079 2.079 . 0 0 "[ ]" 1
280 1 67 ILE HB 1 67 ILE MD 3.500 . 3.500 2.432 2.432 2.432 . 0 0 "[ ]" 1
281 1 15 THR H 1 15 THR MG . . 3.580 3.624 3.624 3.624 0.044 1 0 "[ ]" 1
282 1 15 THR MG 1 16 TRP H . . 3.080 3.176 3.176 3.176 0.096 1 0 "[ ]" 1
283 1 15 THR MG 1 16 TRP HA 5.000 . 5.000 3.354 3.354 3.354 . 0 0 "[ ]" 1
284 1 16 TRP HA 1 20 THR MG 5.000 . 5.000 4.233 4.233 4.233 . 0 0 "[ ]" 1
285 1 66 LYS HA 1 69 ILE MD 4.580 . 4.580 2.540 2.540 2.540 . 0 0 "[ ]" 1
286 1 66 LYS HA 1 69 ILE MG 5.000 . 5.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
287 1 17 CYS HA 1 20 THR MG 5.000 . 5.000 2.009 2.009 2.009 . 0 0 "[ ]" 1
288 1 17 CYS HA 1 21 LEU MD1 5.000 . 5.000 3.850 3.850 3.850 . 0 0 "[ ]" 1
289 1 14 ILE MD 1 17 CYS HB2 5.000 . 5.000 4.062 4.062 4.062 . 0 0 "[ ]" 1
290 1 14 ILE MD 1 17 CYS HB3 5.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
291 1 17 CYS HB3 1 33 LEU MD1 4.880 . 4.880 4.008 4.008 4.008 . 0 0 "[ ]" 1
292 1 17 CYS HB3 1 21 LEU MD1 5.000 . 5.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
293 1 17 CYS HB2 1 29 LEU MD1 5.000 . 5.000 4.031 4.031 4.031 . 0 0 "[ ]" 1
294 1 18 ILE HA 1 23 VAL MG1 4.300 . 4.300 4.340 4.340 4.340 0.040 1 0 "[ ]" 1
295 1 18 ILE H 1 18 ILE MD 5.000 . 5.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
296 1 18 ILE MD 1 23 VAL H 5.000 . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
297 1 18 ILE HA 1 18 ILE MD 4.230 . 4.230 2.002 2.002 2.002 . 0 0 "[ ]" 1
298 1 16 TRP HE1 1 20 THR MG 5.000 . 5.000 3.931 3.931 3.931 . 0 0 "[ ]" 1
299 1 20 THR MG 1 21 LEU H 5.000 . 5.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
300 1 20 THR H 1 20 THR MG . . 2.950 2.330 2.330 2.330 . 0 0 "[ ]" 1
301 1 16 TRP HZ2 1 20 THR MG 5.000 . 5.000 3.286 3.286 3.286 . 0 0 "[ ]" 1
302 1 16 TRP HD1 1 20 THR MG 5.000 . 5.000 4.570 4.570 4.570 . 0 0 "[ ]" 1
303 1 21 LEU HB2 1 21 LEU MD1 2.900 . 2.900 2.315 2.315 2.315 . 0 0 "[ ]" 1
304 1 21 LEU H 1 21 LEU MD1 5.000 . 5.000 3.906 3.906 3.906 . 0 0 "[ ]" 1
305 1 21 LEU MD1 1 65 PHE QD 5.000 . 5.000 1.944 1.944 1.944 . 0 0 "[ ]" 1
306 1 21 LEU MD1 1 65 PHE HA 5.000 . 5.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
307 1 21 LEU HA 1 21 LEU MD1 . . 4.650 3.823 3.823 3.823 . 0 0 "[ ]" 1
308 1 21 LEU MD1 1 65 PHE HB3 5.000 . 5.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
309 1 21 LEU MD1 1 65 PHE HB2 5.000 . 5.000 2.371 2.371 2.371 . 0 0 "[ ]" 1
310 1 21 LEU MD1 1 64 LYS HB2 5.000 . 5.000 4.956 4.956 4.956 . 0 0 "[ ]" 1
311 1 21 LEU MD1 1 29 LEU MD1 4.030 . 4.030 3.104 3.104 3.104 . 0 0 "[ ]" 1
312 1 21 LEU MD1 1 64 LYS HB3 5.000 . 5.000 5.032 5.032 5.032 0.032 1 0 "[ ]" 1
313 1 23 VAL MG1 1 24 GLU H 5.000 . 5.000 3.553 3.553 3.553 . 0 0 "[ ]" 1
314 1 23 VAL H 1 23 VAL MG1 . . 2.520 2.615 2.615 2.615 0.095 1 0 "[ ]" 1
315 1 23 VAL MG1 1 27 ASP HB2 5.000 . 5.000 3.703 3.703 3.703 . 0 0 "[ ]" 1
316 1 23 VAL MG1 1 27 ASP HB3 5.000 . 5.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
317 1 18 ILE MD 1 24 GLU HA 5.000 . 5.000 2.508 2.508 2.508 . 0 0 "[ ]" 1
318 1 18 ILE MG 1 24 GLU HA 4.850 . 4.850 3.087 3.087 3.087 . 0 0 "[ ]" 1
319 1 38 ILE HA 1 42 LEU MD1 4.050 . 4.050 3.858 3.858 3.858 . 0 0 "[ ]" 1
320 1 26 THR HA 1 26 THR MG 3.430 . 3.430 2.194 2.194 2.194 . 0 0 "[ ]" 1
321 1 26 THR MG 1 27 ASP H 5.000 . 5.000 4.454 4.454 4.454 . 0 0 "[ ]" 1
322 1 26 THR H 1 26 THR MG . . 3.080 2.861 2.861 2.861 . 0 0 "[ ]" 1
323 1 23 VAL MG2 1 27 ASP HB2 5.000 . 5.000 3.185 3.185 3.185 . 0 0 "[ ]" 1
324 1 23 VAL MG2 1 27 ASP HB3 5.000 . 5.000 2.924 2.924 2.924 . 0 0 "[ ]" 1
325 1 29 LEU HG 1 33 LEU MD1 4.030 . 4.030 4.129 4.129 4.129 0.099 1 0 "[ ]" 1
326 1 29 LEU H 1 29 LEU MD1 5.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 1
327 1 29 LEU MD1 1 33 LEU H 5.000 . 5.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
328 1 29 LEU MD1 1 65 PHE QE 5.000 . 5.000 2.880 2.880 2.880 . 0 0 "[ ]" 1
329 1 29 LEU HA 1 29 LEU MD1 . . 4.170 2.883 2.883 2.883 . 0 0 "[ ]" 1
330 1 29 LEU MD1 1 61 LYS HG2 5.000 . 5.000 4.917 4.917 4.917 . 0 0 "[ ]" 1
331 1 29 LEU MD1 1 65 PHE QD 5.000 . 5.000 3.531 3.531 3.531 . 0 0 "[ ]" 1
332 1 29 LEU MD1 1 33 LEU MD1 . . 4.400 1.958 1.958 1.958 . 0 0 "[ ]" 1
333 1 30 CYS HA 1 33 LEU MD1 4.330 . 4.330 3.107 3.107 3.107 . 0 0 "[ ]" 1
334 1 33 LEU H 1 33 LEU MD1 5.000 . 5.000 4.068 4.068 4.068 . 0 0 "[ ]" 1
335 1 33 LEU MD1 1 34 ARG H 5.000 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 1
336 1 36 ASN HB2 1 54 LEU MD1 5.000 . 5.000 3.567 3.567 3.567 . 0 0 "[ ]" 1
337 1 38 ILE MG 1 39 VAL H 5.000 . 5.000 2.428 2.428 2.428 . 0 0 "[ ]" 1
338 1 38 ILE MG 1 42 LEU HB2 4.120 . 4.120 3.564 3.564 3.564 . 0 0 "[ ]" 1
339 1 38 ILE H 1 38 ILE MD 5.000 . 5.000 3.894 3.894 3.894 . 0 0 "[ ]" 1
340 1 38 ILE MD 1 39 VAL H 5.000 . 5.000 4.940 4.940 4.940 . 0 0 "[ ]" 1
341 1 38 ILE HA 1 38 ILE MD 4.550 . 4.550 3.856 3.856 3.856 . 0 0 "[ ]" 1
342 1 36 ASN HB3 1 38 ILE MD 5.000 . 5.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
343 1 36 ASN HB2 1 38 ILE MD 5.000 . 5.000 2.538 2.538 2.538 . 0 0 "[ ]" 1
344 1 39 VAL HA 1 39 VAL MG1 3.500 . 3.500 2.430 2.430 2.430 . 0 0 "[ ]" 1
345 1 39 VAL MG1 1 40 GLY H 5.000 . 5.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
346 1 39 VAL H 1 39 VAL MG1 4.780 . 4.780 2.734 2.734 2.734 . 0 0 "[ ]" 1
347 1 39 VAL MG2 1 41 ASP H . . 2.700 2.380 2.380 2.380 . 0 0 "[ ]" 1
348 1 39 VAL MG2 1 40 GLY H 5.000 . 5.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
349 1 39 VAL MG2 1 42 LEU H . . 2.500 1.951 1.951 1.951 . 0 0 "[ ]" 1
350 1 39 VAL H 1 39 VAL MG2 3.880 . 3.880 2.069 2.069 2.069 . 0 0 "[ ]" 1
351 1 40 GLY HA2 1 43 LEU MD1 5.000 . 5.000 1.947 1.947 1.947 . 0 0 "[ ]" 1
352 1 42 LEU HB3 1 42 LEU MD1 . . 3.480 2.464 2.464 2.464 . 0 0 "[ ]" 1
353 1 42 LEU HB2 1 42 LEU MD1 3.350 . 3.350 3.255 3.255 3.255 . 0 0 "[ ]" 1
354 1 43 LEU HA 1 43 LEU MD1 3.800 . 3.800 2.125 2.125 2.125 . 0 0 "[ ]" 1
355 1 43 LEU HA 1 69 ILE MG 4.170 . 4.170 3.931 3.931 3.931 . 0 0 "[ ]" 1
356 1 43 LEU HA 1 69 ILE MD 5.000 . 5.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
357 1 43 LEU HB2 1 43 LEU MD1 3.600 . 3.600 2.478 2.478 2.478 . 0 0 "[ ]" 1
358 1 59 LEU H 1 59 LEU MD1 . . 4.080 3.796 3.796 3.796 . 0 0 "[ ]" 1
359 1 44 PRO HD2 1 69 ILE MG 5.000 . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
360 1 54 LEU HA 1 54 LEU MD1 4.280 . 4.280 2.142 2.142 2.142 . 0 0 "[ ]" 1
361 1 46 LEU MD1 1 50 ASP HB2 . . 4.120 2.751 2.751 2.751 . 0 0 "[ ]" 1
362 1 46 LEU MD1 1 50 ASP HB3 4.400 . 4.400 3.213 3.213 3.213 . 0 0 "[ ]" 1
363 1 51 CYS HB3 1 62 ALA MB 5.000 . 5.000 2.459 2.459 2.459 . 0 0 "[ ]" 1
364 1 52 GLN HA 1 62 ALA MB 4.030 . 4.030 2.266 2.266 2.266 . 0 0 "[ ]" 1
365 1 52 GLN HB3 1 62 ALA MB 5.000 . 5.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
366 1 52 GLN HG2 1 62 ALA MB 5.000 . 5.000 4.561 4.561 4.561 . 0 0 "[ ]" 1
367 1 29 LEU MD1 1 54 LEU HB3 5.000 . 5.000 4.156 4.156 4.156 . 0 0 "[ ]" 1
368 1 54 LEU H 1 54 LEU MD1 5.000 . 5.000 3.767 3.767 3.767 . 0 0 "[ ]" 1
369 1 54 LEU HB3 1 54 LEU MD1 . . 3.100 3.119 3.119 3.119 0.019 1 0 "[ ]" 1
370 1 29 LEU MD1 1 55 CYS HA 5.000 . 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
371 1 55 CYS HB3 1 62 ALA MB 5.000 . 5.000 3.396 3.396 3.396 . 0 0 "[ ]" 1
372 1 29 LEU MD1 1 61 LYS HG3 5.000 . 5.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
373 1 52 GLN H 1 62 ALA MB . . 3.200 3.211 3.211 3.211 0.011 1 0 "[ ]" 1
374 1 62 ALA MB 1 63 ILE H 4.780 . 4.780 2.444 2.444 2.444 . 0 0 "[ ]" 1
375 1 62 ALA H 1 62 ALA MB . . 2.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
376 1 55 CYS HB2 1 62 ALA MB 4.600 . 4.600 3.982 3.982 3.982 . 0 0 "[ ]" 1
377 1 51 CYS HB2 1 62 ALA MB 5.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 1
378 1 63 ILE H 1 63 ILE MD 5.000 . 5.000 3.614 3.614 3.614 . 0 0 "[ ]" 1
379 1 63 ILE MD 1 64 LYS H 5.000 . 5.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
380 1 65 PHE HA 1 68 LEU MD1 5.000 . 5.000 2.169 2.169 2.169 . 0 0 "[ ]" 1
381 1 68 LEU H 1 68 LEU MD1 5.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
382 1 16 TRP HZ2 1 68 LEU MD1 5.000 . 5.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
383 1 16 TRP HH2 1 68 LEU MD1 5.000 . 5.000 3.848 3.848 3.848 . 0 0 "[ ]" 1
384 1 69 ILE H 1 69 ILE MD . . 3.880 3.614 3.614 3.614 . 0 0 "[ ]" 1
385 1 16 TRP HZ3 1 69 ILE MD 5.000 . 5.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
386 1 16 TRP HH2 1 69 ILE MD 5.000 . 5.000 3.678 3.678 3.678 . 0 0 "[ ]" 1
387 1 46 LEU HB2 1 69 ILE MD 5.000 . 5.000 4.880 4.880 4.880 . 0 0 "[ ]" 1
388 1 46 LEU MD1 1 69 ILE MD 3.980 . 3.980 2.237 2.237 2.237 . 0 0 "[ ]" 1
389 1 69 ILE MD 1 69 ILE MG 3.080 . 3.080 1.901 1.901 1.901 . 0 0 "[ ]" 1
390 1 69 ILE MG 1 70 ASN H . . 4.080 3.329 3.329 3.329 . 0 0 "[ ]" 1
391 1 69 ILE MG 1 70 ASN HA 5.000 . 5.000 3.236 3.236 3.236 . 0 0 "[ ]" 1
392 1 43 LEU H 1 43 LEU MD1 . . 3.100 2.608 2.608 2.608 . 0 0 "[ ]" 1
393 1 13 VAL MG1 1 14 ILE H 5.000 . 5.000 3.469 3.469 3.469 . 0 0 "[ ]" 1
394 1 54 LEU MD1 1 65 PHE HZ 5.000 . 5.000 4.830 4.830 4.830 . 0 0 "[ ]" 1
395 1 54 LEU MD1 1 65 PHE QE 5.000 . 5.000 4.152 4.152 4.152 . 0 0 "[ ]" 1
396 1 51 CYS HA 1 54 LEU MD1 5.000 . 5.000 3.805 3.805 3.805 . 0 0 "[ ]" 1
397 1 46 LEU MD1 1 69 ILE MG 4.120 . 4.120 3.912 3.912 3.912 . 0 0 "[ ]" 1
398 1 43 LEU HA 1 46 LEU MD1 5.000 . 5.000 3.972 3.972 3.972 . 0 0 "[ ]" 1
399 1 46 LEU MD1 1 65 PHE QE 5.000 . 5.000 2.875 2.875 2.875 . 0 0 "[ ]" 1
400 1 46 LEU MD1 1 65 PHE HZ 5.000 . 5.000 5.006 5.006 5.006 0.006 1 0 "[ ]" 1
401 1 46 LEU MD1 1 47 CYS H 5.000 . 5.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
402 1 38 ILE MG 1 42 LEU H 5.000 . 5.000 4.133 4.133 4.133 . 0 0 "[ ]" 1
403 1 38 ILE MD 1 46 LEU HB2 3.980 . 3.980 3.604 3.604 3.604 . 0 0 "[ ]" 1
404 1 38 ILE MD 1 54 LEU HB2 5.000 . 5.000 3.838 3.838 3.838 . 0 0 "[ ]" 1
405 1 43 LEU MD1 1 69 ILE MD 5.000 . 5.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
406 1 46 LEU HB3 1 46 LEU MD1 . . 3.080 3.157 3.157 3.157 0.077 1 0 "[ ]" 1
407 1 16 TRP HZ3 1 69 ILE MG 5.000 . 5.000 4.995 4.995 4.995 . 0 0 "[ ]" 1
408 1 48 LEU MD1 1 51 CYS HB3 5.000 . 5.000 2.664 2.664 2.664 . 0 0 "[ ]" 1
409 1 48 LEU MD1 1 51 CYS HB2 4.830 . 4.830 3.775 3.775 3.775 . 0 0 "[ ]" 1
410 1 13 VAL MG1 1 16 TRP HE3 5.000 . 5.000 3.663 3.663 3.663 . 0 0 "[ ]" 1
411 1 20 THR MG 1 21 LEU HB2 5.000 . 5.000 3.618 3.618 3.618 . 0 0 "[ ]" 1
412 1 38 ILE MG 1 42 LEU HA 5.000 . 5.000 4.625 4.625 4.625 . 0 0 "[ ]" 1
413 1 20 THR HB 1 68 LEU MD1 5.000 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
414 1 13 VAL MG1 1 43 LEU MD1 5.000 . 5.000 2.485 2.485 2.485 . 0 0 "[ ]" 1
415 1 13 VAL MG2 1 14 ILE H 5.000 . 5.000 3.623 3.623 3.623 . 0 0 "[ ]" 1
416 1 22 GLU HA 1 23 VAL MG1 5.000 . 5.000 4.221 4.221 4.221 . 0 0 "[ ]" 1
417 1 22 GLU HB3 1 23 VAL MG1 4.880 . 4.880 3.946 3.946 3.946 . 0 0 "[ ]" 1
418 1 17 CYS HB3 1 29 LEU MD1 5.000 . 5.000 3.099 3.099 3.099 . 0 0 "[ ]" 1
419 1 18 ILE MD 1 30 CYS HB3 5.000 . 5.000 4.138 4.138 4.138 . 0 0 "[ ]" 1
420 1 17 CYS HB2 1 33 LEU MD1 5.000 . 5.000 4.186 4.186 4.186 . 0 0 "[ ]" 1
421 1 44 PRO HB2 1 69 ILE MG 5.000 . 5.000 4.215 4.215 4.215 . 0 0 "[ ]" 1
422 1 25 GLU HB2 1 26 THR MG 5.000 . 5.000 4.046 4.046 4.046 . 0 0 "[ ]" 1
423 1 14 ILE HA 1 33 LEU MD1 5.000 . 5.000 3.925 3.925 3.925 . 0 0 "[ ]" 1
424 1 14 ILE MD 1 33 LEU MD1 4.080 . 4.080 3.014 3.014 3.014 . 0 0 "[ ]" 1
425 1 43 LEU MD1 1 44 PRO HD3 5.000 . 5.000 4.363 4.363 4.363 . 0 0 "[ ]" 1
426 1 38 ILE MG 1 39 VAL HA 5.000 . 5.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
427 1 21 LEU MD1 1 61 LYS HA 5.000 . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 1
428 1 21 LEU MD1 1 65 PHE QE 5.000 . 5.000 3.280 3.280 3.280 . 0 0 "[ ]" 1
429 1 20 THR MG 1 68 LEU HB2 5.000 . 5.000 3.462 3.462 3.462 . 0 0 "[ ]" 1
430 1 18 ILE MD 1 20 THR H 5.000 . 5.000 5.173 5.173 5.173 0.173 1 0 "[ ]" 1
431 1 44 PRO HD3 1 69 ILE MG 5.000 . 5.000 3.142 3.142 3.142 . 0 0 "[ ]" 1
432 1 46 LEU HB2 1 54 LEU MD1 4.350 . 4.350 4.416 4.416 4.416 0.066 1 0 "[ ]" 1
433 1 38 ILE QG 1 54 LEU MD1 5.000 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 1
434 1 38 ILE MG 1 46 LEU HB2 4.120 . 4.120 4.174 4.174 4.174 0.054 1 0 "[ ]" 1
435 1 62 ALA MB 1 65 PHE HB3 5.000 . 5.000 4.374 4.374 4.374 . 0 0 "[ ]" 1
436 1 29 LEU MD1 1 65 PHE HB2 5.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
437 1 20 THR MG 1 21 LEU HA 5.000 . 5.000 3.487 3.487 3.487 . 0 0 "[ ]" 1
438 1 10 VAL MG1 1 13 VAL HB 5.000 . 5.000 4.124 4.124 4.124 . 0 0 "[ ]" 1
439 1 22 GLU HG2 1 23 VAL MG1 5.000 . 5.000 4.846 4.846 4.846 . 0 0 "[ ]" 1
440 1 29 LEU MD1 1 33 LEU HB3 5.000 . 5.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
441 1 44 PRO HD3 1 69 ILE MD 5.000 . 5.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
442 1 17 CYS HB3 1 23 VAL MG1 5.000 . 5.000 4.980 4.980 4.980 . 0 0 "[ ]" 1
443 1 13 VAL MG1 1 40 GLY H 5.000 . 5.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
444 1 13 VAL MG1 1 39 VAL MG2 4.620 . 4.620 4.730 4.730 4.730 0.110 1 0 "[ ]" 1
445 1 13 VAL MG1 1 39 VAL HA 4.700 . 4.700 2.824 2.824 2.824 . 0 0 "[ ]" 1
446 1 46 LEU MD1 1 54 LEU HB2 4.880 . 4.880 3.957 3.957 3.957 . 0 0 "[ ]" 1
447 1 36 ASN HB3 1 54 LEU MD1 5.000 . 5.000 4.617 4.617 4.617 . 0 0 "[ ]" 1
448 1 29 LEU MD1 1 54 LEU MD1 5.000 . 5.000 3.250 3.250 3.250 . 0 0 "[ ]" 1
449 1 7 GLN H 1 8 TRP H . . 4.230 3.489 3.489 3.489 . 0 0 "[ ]" 1
450 1 8 TRP H 1 9 SER H 5.000 . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
451 1 7 GLN HA 1 8 TRP H 3.750 . 3.750 2.479 2.479 2.479 . 0 0 "[ ]" 1
452 1 7 GLN HB3 1 8 TRP H 4.980 . 4.980 4.294 4.294 4.294 . 0 0 "[ ]" 1
453 1 9 SER H 1 12 ASP H . . 4.300 4.046 4.046 4.046 . 0 0 "[ ]" 1
454 1 9 SER H 1 10 VAL H 5.000 . 5.000 4.697 4.697 4.697 . 0 0 "[ ]" 1
455 1 10 VAL H 1 11 ASP H 3.620 . 3.620 2.825 2.825 2.825 . 0 0 "[ ]" 1
456 1 9 SER HA 1 10 VAL H 3.050 . 3.050 2.482 2.482 2.482 . 0 0 "[ ]" 1
457 1 11 ASP H 1 11 ASP HB3 3.600 . 3.600 3.564 3.564 3.564 . 0 0 "[ ]" 1
458 1 12 ASP H 1 13 VAL H 3.350 . 3.350 2.504 2.504 2.504 . 0 0 "[ ]" 1
459 1 11 ASP HB3 1 12 ASP H 3.600 . 3.600 3.603 3.603 3.603 0.003 1 0 "[ ]" 1
460 1 13 VAL H 1 14 ILE H 3.800 . 3.800 2.687 2.687 2.687 . 0 0 "[ ]" 1
461 1 12 ASP H 1 14 ILE H 5.000 . 5.000 4.135 4.135 4.135 . 0 0 "[ ]" 1
462 1 16 TRP H 1 17 CYS H . . 3.430 2.853 2.853 2.853 . 0 0 "[ ]" 1
463 1 15 THR H 1 16 TRP H 3.770 . 3.770 2.790 2.790 2.790 . 0 0 "[ ]" 1
464 1 17 CYS H 1 18 ILE H . . 3.800 2.652 2.652 2.652 . 0 0 "[ ]" 1
465 1 18 ILE H 1 19 SER H 3.600 . 3.600 2.650 2.650 2.650 . 0 0 "[ ]" 1
466 1 16 TRP H 1 18 ILE H 5.000 . 5.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
467 1 19 SER H 1 20 THR H 3.350 . 3.350 2.584 2.584 2.584 . 0 0 "[ ]" 1
468 1 19 SER H 1 19 SER HB2 3.150 . 3.150 2.486 2.486 2.486 . 0 0 "[ ]" 1
469 1 20 THR H 1 21 LEU H 3.230 . 3.230 2.387 2.387 2.387 . 0 0 "[ ]" 1
470 1 20 THR H 1 22 GLU H . . 4.230 3.394 3.394 3.394 . 0 0 "[ ]" 1
471 1 52 GLN H 1 53 ASP H 3.730 . 3.730 2.700 2.700 2.700 . 0 0 "[ ]" 1
472 1 53 ASP H 1 54 LEU H 2.730 . 2.730 2.535 2.535 2.535 . 0 0 "[ ]" 1
473 1 21 LEU H 1 21 LEU HB2 2.900 . 2.900 2.423 2.423 2.423 . 0 0 "[ ]" 1
474 1 21 LEU H 1 22 GLU H 3.150 . 3.150 2.387 2.387 2.387 . 0 0 "[ ]" 1
475 1 20 THR HB 1 21 LEU H 4.050 . 4.050 3.994 3.994 3.994 . 0 0 "[ ]" 1
476 1 22 GLU H 1 23 VAL H 3.680 . 3.680 2.648 2.648 2.648 . 0 0 "[ ]" 1
477 1 45 GLU H 1 45 GLU HB2 2.950 . 2.950 2.021 2.021 2.021 . 0 0 "[ ]" 1
478 1 21 LEU HB2 1 22 GLU H 3.520 . 3.520 3.333 3.333 3.333 . 0 0 "[ ]" 1
479 1 23 VAL H 1 24 GLU H 3.950 . 3.950 4.136 4.136 4.136 0.186 1 0 "[ ]" 1
480 1 21 LEU HB2 1 23 VAL H 3.550 . 3.550 3.361 3.361 3.361 . 0 0 "[ ]" 1
481 1 15 THR H 1 15 THR HB 3.480 . 3.480 2.403 2.403 2.403 . 0 0 "[ ]" 1
482 1 25 GLU H 1 26 THR H . . 4.100 2.553 2.553 2.553 . 0 0 "[ ]" 1
483 1 24 GLU HB3 1 25 GLU H 3.800 . 3.800 2.428 2.428 2.428 . 0 0 "[ ]" 1
484 1 26 THR H 1 27 ASP H . . 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 1
485 1 26 THR H 1 26 THR HB 3.750 . 3.750 3.469 3.469 3.469 . 0 0 "[ ]" 1
486 1 25 GLU HB2 1 26 THR H 3.430 . 3.430 3.493 3.493 3.493 0.063 1 0 "[ ]" 1
487 1 24 GLU H 1 27 ASP H 4.250 . 4.250 3.893 3.893 3.893 . 0 0 "[ ]" 1
488 1 24 GLU HB3 1 27 ASP H 4.450 . 4.450 3.977 3.977 3.977 . 0 0 "[ ]" 1
489 1 29 LEU H 1 30 CYS H . . 3.380 2.720 2.720 2.720 . 0 0 "[ ]" 1
490 1 30 CYS H 1 32 ARG H 4.800 . 4.800 4.369 4.369 4.369 . 0 0 "[ ]" 1
491 1 30 CYS H 1 31 GLN H 3.050 . 3.050 2.551 2.551 2.551 . 0 0 "[ ]" 1
492 1 29 LEU HA 1 30 CYS H 5.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
493 1 29 LEU HB3 1 30 CYS H 4.150 . 4.150 2.436 2.436 2.436 . 0 0 "[ ]" 1
494 1 31 GLN H 1 32 ARG H 3.580 . 3.580 2.850 2.850 2.850 . 0 0 "[ ]" 1
495 1 30 CYS HA 1 31 GLN H 4.750 . 4.750 3.483 3.483 3.483 . 0 0 "[ ]" 1
496 1 33 LEU H 1 34 ARG H 3.950 . 3.950 2.738 2.738 2.738 . 0 0 "[ ]" 1
497 1 34 ARG H 1 35 GLU H 3.200 . 3.200 2.559 2.559 2.559 . 0 0 "[ ]" 1
498 1 35 GLU H 1 36 ASN H 3.650 . 3.650 2.706 2.706 2.706 . 0 0 "[ ]" 1
499 1 36 ASN H 1 37 ASP H 3.330 . 3.330 2.346 2.346 2.346 . 0 0 "[ ]" 1
500 1 36 ASN H 1 37 ASP HA 4.350 . 4.350 4.413 4.413 4.413 0.063 1 0 "[ ]" 1
501 1 35 GLU HA 1 36 ASN H 3.520 . 3.520 3.529 3.529 3.529 0.009 1 0 "[ ]" 1
502 1 37 ASP H 1 37 ASP HA 2.980 . 2.980 2.161 2.161 2.161 . 0 0 "[ ]" 1
503 1 37 ASP HA 1 38 ILE H 3.230 . 3.230 2.420 2.420 2.420 . 0 0 "[ ]" 1
504 1 40 GLY H 1 41 ASP H . . 4.030 2.700 2.700 2.700 . 0 0 "[ ]" 1
505 1 41 ASP H 1 42 LEU H 3.730 . 3.730 2.518 2.518 2.518 . 0 0 "[ ]" 1
506 1 40 GLY HA3 1 41 ASP H 4.300 . 4.300 2.812 2.812 2.812 . 0 0 "[ ]" 1
507 1 40 GLY HA2 1 41 ASP H 3.850 . 3.850 3.470 3.470 3.470 . 0 0 "[ ]" 1
508 1 42 LEU HA 1 43 LEU H 4.120 . 4.120 3.486 3.486 3.486 . 0 0 "[ ]" 1
509 1 46 LEU H 1 46 LEU HB2 3.900 . 3.900 3.711 3.711 3.711 . 0 0 "[ ]" 1
510 1 46 LEU HA 1 47 CYS H 3.520 . 3.520 2.127 2.127 2.127 . 0 0 "[ ]" 1
511 1 46 LEU HB2 1 47 CYS H 5.000 . 5.000 3.257 3.257 3.257 . 0 0 "[ ]" 1
512 1 47 CYS H 1 50 ASP H 4.900 . 4.900 3.324 3.324 3.324 . 0 0 "[ ]" 1
513 1 49 GLN H 1 50 ASP H 4.230 . 4.230 2.678 2.678 2.678 . 0 0 "[ ]" 1
514 1 50 ASP H 1 51 CYS H . . 3.380 2.484 2.484 2.484 . 0 0 "[ ]" 1
515 1 49 GLN HA 1 50 ASP H 4.530 . 4.530 3.500 3.500 3.500 . 0 0 "[ ]" 1
516 1 49 GLN HB3 1 50 ASP H 3.550 . 3.550 2.777 2.777 2.777 . 0 0 "[ ]" 1
517 1 51 CYS H 1 52 GLN H 3.620 . 3.620 2.432 2.432 2.432 . 0 0 "[ ]" 1
518 1 49 GLN HA 1 51 CYS H 3.600 . 3.600 3.774 3.774 3.774 0.174 1 0 "[ ]" 1
519 1 56 ASP H 1 57 GLY H 3.430 . 3.430 2.618 2.618 2.618 . 0 0 "[ ]" 1
520 1 55 CYS H 1 56 ASP H 3.500 . 3.500 2.418 2.418 2.418 . 0 0 "[ ]" 1
521 1 57 GLY H 1 58 ASP H . . 3.250 2.838 2.838 2.838 . 0 0 "[ ]" 1
522 1 56 ASP HB2 1 57 GLY H 3.850 . 3.850 4.084 4.084 4.084 0.234 1 0 "[ ]" 1
523 1 56 ASP H 1 58 ASP H 4.580 . 4.580 4.128 4.128 4.128 . 0 0 "[ ]" 1
524 1 58 ASP H 1 61 LYS HB3 3.770 . 3.770 3.884 3.884 3.884 0.114 1 0 "[ ]" 1
525 1 59 LEU H 1 60 ASN H . . 3.230 2.681 2.681 2.681 . 0 0 "[ ]" 1
526 1 58 ASP HB2 1 59 LEU H 4.920 . 4.920 4.409 4.409 4.409 . 0 0 "[ ]" 1
527 1 59 LEU H 1 59 LEU HB2 3.100 . 3.100 2.265 2.265 2.265 . 0 0 "[ ]" 1
528 1 60 ASN H 1 61 LYS H 3.170 . 3.170 2.759 2.759 2.759 . 0 0 "[ ]" 1
529 1 58 ASP HA 1 60 ASN H 4.350 . 4.350 3.966 3.966 3.966 . 0 0 "[ ]" 1
530 1 59 LEU HA 1 60 ASN H 3.830 . 3.830 3.400 3.400 3.400 . 0 0 "[ ]" 1
531 1 60 ASN HA 1 61 LYS H 4.350 . 4.350 3.508 3.508 3.508 . 0 0 "[ ]" 1
532 1 62 ALA H 1 63 ILE H 3.500 . 3.500 2.796 2.796 2.796 . 0 0 "[ ]" 1
533 1 59 LEU HA 1 62 ALA H 3.150 . 3.150 3.222 3.222 3.222 0.072 1 0 "[ ]" 1
534 1 63 ILE H 1 64 LYS H . . 3.200 2.717 2.717 2.717 . 0 0 "[ ]" 1
535 1 60 ASN HA 1 63 ILE H 4.280 . 4.280 3.806 3.806 3.806 . 0 0 "[ ]" 1
536 1 59 LEU HA 1 63 ILE H 3.800 . 3.800 3.761 3.761 3.761 . 0 0 "[ ]" 1
537 1 65 PHE H 1 66 LYS H 3.120 . 3.120 2.704 2.704 2.704 . 0 0 "[ ]" 1
538 1 62 ALA HA 1 66 LYS H 3.900 . 3.900 3.937 3.937 3.937 0.037 1 0 "[ ]" 1
539 1 67 ILE H 1 68 LEU H 3.900 . 3.900 2.650 2.650 2.650 . 0 0 "[ ]" 1
540 1 68 LEU H 1 69 ILE H 3.400 . 3.400 2.665 2.665 2.665 . 0 0 "[ ]" 1
541 1 69 ILE H 1 69 ILE HB 2.920 . 2.920 2.496 2.496 2.496 . 0 0 "[ ]" 1
542 1 66 LYS HA 1 70 ASN H 5.000 . 5.000 4.370 4.370 4.370 . 0 0 "[ ]" 1
543 1 70 ASN H 1 70 ASN HB3 3.300 . 3.300 2.773 2.773 2.773 . 0 0 "[ ]" 1
544 1 71 LYS H 1 72 MET H . . 3.600 2.634 2.634 2.634 . 0 0 "[ ]" 1
545 1 70 ASN HB3 1 71 LYS H 4.000 . 4.000 2.673 2.673 2.673 . 0 0 "[ ]" 1
546 1 72 MET H 1 73 ARG H . . 3.330 2.709 2.709 2.709 . 0 0 "[ ]" 1
547 1 75 SER H 1 75 SER HB2 3.620 . 3.620 2.514 2.514 2.514 . 0 0 "[ ]" 1
548 1 8 TRP H 1 8 TRP HD1 5.000 . 5.000 3.070 3.070 3.070 . 0 0 "[ ]" 1
549 1 8 TRP HH2 1 16 TRP HE1 5.000 . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
550 1 16 TRP HA 1 16 TRP HE1 5.000 . 5.000 4.963 4.963 4.963 . 0 0 "[ ]" 1
551 1 16 TRP HE1 1 72 MET HB3 5.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 1
552 1 16 TRP HE1 1 72 MET HG2 5.000 . 5.000 2.976 2.976 2.976 . 0 0 "[ ]" 1
553 1 8 TRP HD1 1 9 SER H 5.000 . 5.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
554 1 14 ILE H 1 14 ILE QG 4.230 . 4.230 2.169 2.169 2.169 . 0 0 "[ ]" 1
555 1 8 TRP HE3 1 16 TRP H 5.000 . 5.000 4.796 4.796 4.796 . 0 0 "[ ]" 1
556 1 16 TRP H 1 16 TRP HE3 5.000 . 5.000 4.801 4.801 4.801 . 0 0 "[ ]" 1
557 1 28 PRO HG3 1 29 LEU H 4.480 . 4.480 4.388 4.388 4.388 . 0 0 "[ ]" 1
558 1 52 GLN HG3 1 57 GLY H 4.900 . 4.900 4.387 4.387 4.387 . 0 0 "[ ]" 1
559 1 52 GLN HG2 1 57 GLY H 5.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
560 1 65 PHE H 1 65 PHE QD 5.000 . 5.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
561 1 66 LYS H 1 66 LYS HG2 4.670 . 4.670 4.472 4.472 4.472 . 0 0 "[ ]" 1
562 1 69 ILE H 1 69 ILE QG 5.000 . 5.000 2.260 2.260 2.260 . 0 0 "[ ]" 1
563 1 71 LYS H 1 71 LYS HG3 3.850 . 3.850 2.319 2.319 2.319 . 0 0 "[ ]" 1
564 1 23 VAL H 1 23 VAL MG2 2.550 . 2.550 2.066 2.066 2.066 . 0 0 "[ ]" 1
565 1 29 LEU MD1 1 30 CYS H 5.000 . 5.000 3.405 3.405 3.405 . 0 0 "[ ]" 1
566 1 42 LEU MD1 1 43 LEU H 3.980 . 3.980 3.906 3.906 3.906 . 0 0 "[ ]" 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 80
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 0.577
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0303
_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 9 SER 0.066 0.048 1 0 "[ ]"
1 10 VAL 0.000 0.000 . 0 "[ ]"
1 11 ASP 0.000 0.000 . 0 "[ ]"
1 12 ASP 0.000 0.000 . 0 "[ ]"
1 13 VAL 0.123 0.048 1 0 "[ ]"
1 14 ILE 0.000 0.000 . 0 "[ ]"
1 15 THR 0.000 0.000 . 0 "[ ]"
1 16 TRP 0.000 0.000 . 0 "[ ]"
1 17 CYS 0.059 0.040 1 0 "[ ]"
1 18 ILE 0.014 0.014 1 0 "[ ]"
1 19 SER 0.000 0.000 . 0 "[ ]"
1 20 THR 0.000 0.000 . 0 "[ ]"
1 21 LEU 0.002 0.002 1 0 "[ ]"
1 22 GLU 0.014 0.014 1 0 "[ ]"
1 24 GLU 0.000 0.000 . 0 "[ ]"
1 27 ASP 0.023 0.023 1 0 "[ ]"
1 28 PRO 0.002 0.002 1 0 "[ ]"
1 29 LEU 0.000 0.000 . 0 "[ ]"
1 30 CYS 0.000 0.000 . 0 "[ ]"
1 31 GLN 0.023 0.023 1 0 "[ ]"
1 32 ARG 0.002 0.002 1 0 "[ ]"
1 33 LEU 0.000 0.000 . 0 "[ ]"
1 34 ARG 0.000 0.000 . 0 "[ ]"
1 35 GLU 0.000 0.000 . 0 "[ ]"
1 36 ASN 0.000 0.000 . 0 "[ ]"
1 39 VAL 0.041 0.041 1 0 "[ ]"
1 40 GLY 0.105 0.105 1 0 "[ ]"
1 42 LEU 0.041 0.041 1 0 "[ ]"
1 43 LEU 0.125 0.105 1 0 "[ ]"
1 45 GLU 0.000 0.000 . 0 "[ ]"
1 46 LEU 0.020 0.020 1 0 "[ ]"
1 47 CYS 0.000 0.000 . 0 "[ ]"
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 GLN 0.018 0.018 1 0 "[ ]"
1 50 ASP 0.000 0.000 . 0 "[ ]"
1 51 CYS 0.000 0.000 . 0 "[ ]"
1 52 GLN 0.000 0.000 . 0 "[ ]"
1 53 ASP 0.025 0.018 1 0 "[ ]"
1 54 LEU 0.000 0.000 . 0 "[ ]"
1 55 CYS 0.000 0.000 . 0 "[ ]"
1 56 ASP 0.007 0.007 1 0 "[ ]"
1 57 GLY 0.000 0.000 . 0 "[ ]"
1 58 ASP 0.000 0.000 . 0 "[ ]"
1 59 LEU 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.051 0.051 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 ALA 0.000 0.000 . 0 "[ ]"
1 63 ILE 0.053 0.053 1 0 "[ ]"
1 64 LYS 0.071 0.051 1 0 "[ ]"
1 65 PHE 0.000 0.000 . 0 "[ ]"
1 66 LYS 0.047 0.037 1 0 "[ ]"
1 67 ILE 0.103 0.053 1 0 "[ ]"
1 68 LEU 0.020 0.020 1 0 "[ ]"
1 69 ILE 0.000 0.000 . 0 "[ ]"
1 70 ASN 0.047 0.037 1 0 "[ ]"
1 71 LYS 0.050 0.050 1 0 "[ ]"
1 72 MET 0.000 0.000 . 0 "[ ]"
1 73 ARG 0.000 0.000 . 0 "[ ]"
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 9 SER O 1 13 VAL H 1.800 . 2.100 2.119 2.119 2.119 0.019 1 0 "[ ]" 2
2 1 9 SER O 1 13 VAL N 2.700 2.700 3.000 3.048 3.048 3.048 0.048 1 0 "[ ]" 2
3 1 10 VAL O 1 14 ILE H 1.800 . 2.100 1.986 1.986 1.986 . 0 0 "[ ]" 2
4 1 10 VAL O 1 14 ILE N 2.700 2.700 3.000 2.932 2.932 2.932 . 0 0 "[ ]" 2
5 1 11 ASP O 1 15 THR H 1.800 . 2.100 1.977 1.977 1.977 . 0 0 "[ ]" 2
6 1 11 ASP O 1 15 THR N 2.700 2.700 3.000 2.919 2.919 2.919 . 0 0 "[ ]" 2
7 1 12 ASP O 1 16 TRP H 1.800 . 2.100 1.906 1.906 1.906 . 0 0 "[ ]" 2
8 1 12 ASP O 1 16 TRP N 2.700 2.700 3.000 2.828 2.828 2.828 . 0 0 "[ ]" 2
9 1 13 VAL O 1 17 CYS H 1.800 . 2.100 2.116 2.116 2.116 0.016 1 0 "[ ]" 2
10 1 13 VAL O 1 17 CYS N 2.700 2.700 3.000 3.040 3.040 3.040 0.040 1 0 "[ ]" 2
11 1 14 ILE O 1 18 ILE H 1.800 . 2.100 1.998 1.998 1.998 . 0 0 "[ ]" 2
12 1 14 ILE O 1 18 ILE N 2.700 2.700 3.000 2.936 2.936 2.936 . 0 0 "[ ]" 2
13 1 15 THR O 1 19 SER H 1.800 . 2.100 1.996 1.996 1.996 . 0 0 "[ ]" 2
14 1 15 THR O 1 19 SER N 2.700 2.700 3.000 2.950 2.950 2.950 . 0 0 "[ ]" 2
15 1 16 TRP O 1 20 THR H 1.800 . 2.100 2.013 2.013 2.013 . 0 0 "[ ]" 2
16 1 16 TRP O 1 20 THR N 2.700 2.700 3.000 2.789 2.789 2.789 . 0 0 "[ ]" 2
17 1 17 CYS O 1 21 LEU H 1.800 . 2.100 1.798 1.798 1.798 0.002 1 0 "[ ]" 2
18 1 17 CYS O 1 21 LEU N 2.700 2.700 3.000 2.740 2.740 2.740 . 0 0 "[ ]" 2
19 1 18 ILE O 1 22 GLU H 1.800 . 2.100 2.114 2.114 2.114 0.014 1 0 "[ ]" 2
20 1 18 ILE O 1 22 GLU N 2.700 2.700 3.000 2.822 2.822 2.822 . 0 0 "[ ]" 2
21 1 24 GLU O 1 27 ASP H 1.800 . 2.100 2.076 2.076 2.076 . 0 0 "[ ]" 2
22 1 24 GLU O 1 27 ASP N 2.700 2.700 3.000 2.983 2.983 2.983 . 0 0 "[ ]" 2
23 1 27 ASP O 1 31 GLN H 1.800 . 2.100 2.063 2.063 2.063 . 0 0 "[ ]" 2
24 1 27 ASP O 1 31 GLN N 2.700 2.700 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 2
25 1 28 PRO O 1 32 ARG H 1.800 . 2.100 2.032 2.032 2.032 . 0 0 "[ ]" 2
26 1 28 PRO O 1 32 ARG N 2.700 2.700 3.000 3.002 3.002 3.002 0.002 1 0 "[ ]" 2
27 1 29 LEU O 1 33 LEU H 1.800 . 2.100 1.961 1.961 1.961 . 0 0 "[ ]" 2
28 1 29 LEU O 1 33 LEU N 2.700 2.700 3.000 2.885 2.885 2.885 . 0 0 "[ ]" 2
29 1 30 CYS O 1 34 ARG H 1.800 . 2.100 1.958 1.958 1.958 . 0 0 "[ ]" 2
30 1 30 CYS O 1 34 ARG N 2.700 2.700 3.000 2.916 2.916 2.916 . 0 0 "[ ]" 2
31 1 31 GLN O 1 35 GLU H 1.800 . 2.100 1.959 1.959 1.959 . 0 0 "[ ]" 2
32 1 31 GLN O 1 35 GLU N 2.700 2.700 3.000 2.888 2.888 2.888 . 0 0 "[ ]" 2
33 1 32 ARG O 1 36 ASN H 1.800 . 2.100 1.883 1.883 1.883 . 0 0 "[ ]" 2
34 1 32 ARG O 1 36 ASN N 2.700 2.700 3.000 2.822 2.822 2.822 . 0 0 "[ ]" 2
35 1 39 VAL O 1 42 LEU H 1.800 . 2.100 2.141 2.141 2.141 0.041 1 0 "[ ]" 2
36 1 39 VAL O 1 42 LEU N 2.700 2.700 3.000 2.850 2.850 2.850 . 0 0 "[ ]" 2
37 1 40 GLY O 1 43 LEU H 1.800 . 2.100 2.205 2.205 2.205 0.105 1 0 "[ ]" 2
38 1 40 GLY O 1 43 LEU N 2.700 2.700 3.000 2.973 2.973 2.973 . 0 0 "[ ]" 2
39 1 42 LEU O 1 45 GLU H 1.800 . 2.100 1.948 1.948 1.948 . 0 0 "[ ]" 2
40 1 42 LEU O 1 45 GLU N 2.700 2.700 3.000 2.801 2.801 2.801 . 0 0 "[ ]" 2
41 1 43 LEU O 1 46 LEU H 1.800 . 2.100 2.120 2.120 2.120 0.020 1 0 "[ ]" 2
42 1 43 LEU O 1 46 LEU N 2.700 2.700 3.000 2.998 2.998 2.998 . 0 0 "[ ]" 2
43 1 47 CYS O 1 51 CYS H 1.800 . 2.100 2.078 2.078 2.078 . 0 0 "[ ]" 2
44 1 47 CYS O 1 51 CYS N 2.700 2.700 3.000 2.881 2.881 2.881 . 0 0 "[ ]" 2
45 1 48 LEU O 1 52 GLN H 1.800 . 2.100 1.891 1.891 1.891 . 0 0 "[ ]" 2
46 1 48 LEU O 1 52 GLN N 2.700 2.700 3.000 2.764 2.764 2.764 . 0 0 "[ ]" 2
47 1 49 GLN O 1 53 ASP H 1.800 . 2.100 2.058 2.058 2.058 . 0 0 "[ ]" 2
48 1 49 GLN O 1 53 ASP N 2.700 2.700 3.000 3.018 3.018 3.018 0.018 1 0 "[ ]" 2
49 1 50 ASP O 1 54 LEU H 1.800 . 2.100 2.010 2.010 2.010 . 0 0 "[ ]" 2
50 1 50 ASP O 1 54 LEU N 2.700 2.700 3.000 2.856 2.856 2.856 . 0 0 "[ ]" 2
51 1 51 CYS O 1 55 CYS H 1.800 . 2.100 1.964 1.964 1.964 . 0 0 "[ ]" 2
52 1 51 CYS O 1 55 CYS N 2.700 2.700 3.000 2.826 2.826 2.826 . 0 0 "[ ]" 2
53 1 52 GLN O 1 57 GLY H 1.800 . 2.100 1.840 1.840 1.840 . 0 0 "[ ]" 2
54 1 52 GLN O 1 57 GLY N 2.700 2.700 3.000 2.753 2.753 2.753 . 0 0 "[ ]" 2
55 1 53 ASP O 1 56 ASP H 1.800 . 2.100 2.107 2.107 2.107 0.007 1 0 "[ ]" 2
56 1 53 ASP O 1 56 ASP N 2.700 2.700 3.000 2.975 2.975 2.975 . 0 0 "[ ]" 2
57 1 58 ASP O 1 62 ALA H 1.800 . 2.100 1.982 1.982 1.982 . 0 0 "[ ]" 2
58 1 58 ASP O 1 62 ALA N 2.700 2.700 3.000 2.910 2.910 2.910 . 0 0 "[ ]" 2
59 1 59 LEU O 1 63 ILE H 1.800 . 2.100 1.860 1.860 1.860 . 0 0 "[ ]" 2
60 1 59 LEU O 1 63 ILE N 2.700 2.700 3.000 2.833 2.833 2.833 . 0 0 "[ ]" 2
61 1 60 ASN O 1 64 LYS H 1.800 . 2.100 2.085 2.085 2.085 . 0 0 "[ ]" 2
62 1 60 ASN O 1 64 LYS N 2.700 2.700 3.000 3.051 3.051 3.051 0.051 1 0 "[ ]" 2
63 1 61 LYS O 1 65 PHE H 1.800 . 2.100 1.947 1.947 1.947 . 0 0 "[ ]" 2
64 1 61 LYS O 1 65 PHE N 2.700 2.700 3.000 2.885 2.885 2.885 . 0 0 "[ ]" 2
65 1 62 ALA O 1 66 LYS H 1.800 . 2.100 2.011 2.011 2.011 . 0 0 "[ ]" 2
66 1 62 ALA O 1 66 LYS N 2.700 2.700 3.000 2.959 2.959 2.959 . 0 0 "[ ]" 2
67 1 63 ILE O 1 67 ILE H 1.800 . 2.100 2.091 2.091 2.091 . 0 0 "[ ]" 2
68 1 63 ILE O 1 67 ILE N 2.700 2.700 3.000 3.053 3.053 3.053 0.053 1 0 "[ ]" 2
69 1 64 LYS O 1 68 LEU H 1.800 . 2.100 2.095 2.095 2.095 . 0 0 "[ ]" 2
70 1 64 LYS O 1 68 LEU N 2.700 2.700 3.000 3.020 3.020 3.020 0.020 1 0 "[ ]" 2
71 1 65 PHE O 1 69 ILE H 1.800 . 2.100 2.028 2.028 2.028 . 0 0 "[ ]" 2
72 1 65 PHE O 1 69 ILE N 2.700 2.700 3.000 2.929 2.929 2.929 . 0 0 "[ ]" 2
73 1 66 LYS O 1 70 ASN H 1.800 . 2.100 2.110 2.110 2.110 0.010 1 0 "[ ]" 2
74 1 66 LYS O 1 70 ASN N 2.700 2.700 3.000 3.037 3.037 3.037 0.037 1 0 "[ ]" 2
75 1 67 ILE O 1 71 LYS H 1.800 . 2.100 2.084 2.084 2.084 . 0 0 "[ ]" 2
76 1 67 ILE O 1 71 LYS N 2.700 2.700 3.000 3.050 3.050 3.050 0.050 1 0 "[ ]" 2
77 1 68 LEU O 1 72 MET H 1.800 . 2.100 1.807 1.807 1.807 . 0 0 "[ ]" 2
78 1 68 LEU O 1 72 MET N 2.700 2.700 3.000 2.709 2.709 2.709 . 0 0 "[ ]" 2
79 1 69 ILE O 1 73 ARG H 1.800 . 2.100 1.987 1.987 1.987 . 0 0 "[ ]" 2
80 1 69 ILE O 1 73 ARG N 2.700 2.700 3.000 2.866 2.866 2.866 . 0 0 "[ ]" 2
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