NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622437 |
5vwl   |
30297 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5vwl
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 434
_Distance_constraint_stats_list.Viol_count 883
_Distance_constraint_stats_list.Viol_total 923.264
_Distance_constraint_stats_list.Viol_max 0.267
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0053
_Distance_constraint_stats_list.Viol_average_violations_only 0.0523
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.161 0.079 20 0 "[ . 1 . 2]"
1 4 LEU 0.027 0.009 2 0 "[ . 1 . 2]"
1 5 ILE 0.000 0.000 19 0 "[ . 1 . 2]"
1 6 TRP 0.161 0.079 20 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASP 0.175 0.063 10 0 "[ . 1 . 2]"
1 9 LEU 0.439 0.100 20 0 "[ . 1 . 2]"
1 10 ARG 0.001 0.001 20 0 "[ . 1 . 2]"
1 11 SER 0.175 0.063 10 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.001 0.001 20 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 4.235 0.154 5 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 1.398 0.095 3 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.104 0.104 16 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.185 0.104 16 0 "[ . 1 . 2]"
1 28 THR 0.165 0.070 16 0 "[ . 1 . 2]"
1 29 ARG 0.040 0.024 16 0 "[ . 1 . 2]"
1 30 ILE 0.111 0.049 7 0 "[ . 1 . 2]"
1 31 VAL 0.219 0.070 16 0 "[ . 1 . 2]"
1 32 GLU 0.040 0.024 16 0 "[ . 1 . 2]"
1 33 LEU 0.060 0.010 5 0 "[ . 1 . 2]"
1 34 LEU 0.599 0.068 20 0 "[ . 1 . 2]"
1 35 GLY 0.271 0.068 20 0 "[ . 1 . 2]"
1 37 ARG 0.082 0.038 7 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 TRP 0.112 0.054 16 0 "[ . 1 . 2]"
1 40 GLU 0.092 0.024 9 0 "[ . 1 . 2]"
1 41 ALA 0.692 0.085 20 0 "[ . 1 . 2]"
1 42 LEU 0.298 0.192 12 0 "[ . 1 . 2]"
1 43 LYS 0.560 0.078 20 0 "[ . 1 . 2]"
1 44 TYR 1.964 0.222 9 0 "[ . 1 . 2]"
1 45 TRP 0.193 0.043 9 0 "[ . 1 . 2]"
1 46 TRP 0.720 0.078 20 0 "[ . 1 . 2]"
1 47 ASN 0.284 0.044 9 0 "[ . 1 . 2]"
1 48 LEU 0.549 0.043 9 0 "[ . 1 . 2]"
1 49 LEU 0.242 0.037 20 0 "[ . 1 . 2]"
1 50 GLN 0.086 0.030 16 0 "[ . 1 . 2]"
1 51 TYR 0.514 0.065 4 0 "[ . 1 . 2]"
1 52 TRP 0.217 0.023 9 0 "[ . 1 . 2]"
1 53 SER 0.064 0.038 4 0 "[ . 1 . 2]"
1 54 GLN 1.615 0.109 20 0 "[ . 1 . 2]"
1 55 GLU 0.512 0.050 20 0 "[ . 1 . 2]"
1 56 LEU 0.060 0.038 4 0 "[ . 1 . 2]"
1 57 LYS 2.342 0.109 20 0 "[ . 1 . 2]"
1 58 ASN 0.107 0.095 20 0 "[ . 1 . 2]"
1 59 SER 4.244 0.193 20 0 "[ . 1 . 2]"
1 60 ALA 3.915 0.113 6 0 "[ . 1 . 2]"
1 61 VAL 4.282 0.216 19 0 "[ . 1 . 2]"
1 62 ASN 4.954 0.193 20 0 "[ . 1 . 2]"
1 63 LEU 4.129 0.084 20 0 "[ . 1 . 2]"
1 64 LEU 4.982 0.216 19 0 "[ . 1 . 2]"
1 65 ASN 3.143 0.194 14 0 "[ . 1 . 2]"
1 66 ALA 0.946 0.160 19 0 "[ . 1 . 2]"
1 67 THR 0.786 0.049 9 0 "[ . 1 . 2]"
1 68 ALA 5.595 0.194 14 0 "[ . 1 . 2]"
1 69 ILE 0.714 0.160 19 0 "[ . 1 . 2]"
1 70 ALA 3.433 0.178 1 0 "[ . 1 . 2]"
1 71 VAL 5.874 0.178 1 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.226 0.070 19 0 "[ . 1 . 2]"
1 74 GLY 0.205 0.070 19 0 "[ . 1 . 2]"
1 75 THR 2.378 0.267 2 0 "[ . 1 . 2]"
1 76 ASP 2.549 0.267 2 0 "[ . 1 . 2]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 0.027 0.008 10 0 "[ . 1 . 2]"
1 79 ILE 0.556 0.098 14 0 "[ . 1 . 2]"
1 80 GLU 0.404 0.183 14 0 "[ . 1 . 2]"
1 81 VAL 1.900 0.183 14 0 "[ . 1 . 2]"
1 82 LEU 4.031 0.251 15 0 "[ . 1 . 2]"
1 83 GLN 0.641 0.098 14 0 "[ . 1 . 2]"
1 84 ALA 0.014 0.010 10 0 "[ . 1 . 2]"
1 85 ALA 0.199 0.062 18 0 "[ . 1 . 2]"
1 86 TYR 0.537 0.150 13 0 "[ . 1 . 2]"
1 87 ARG 0.327 0.062 18 0 "[ . 1 . 2]"
1 88 ALA 0.125 0.057 8 0 "[ . 1 . 2]"
1 89 ILE 0.537 0.150 13 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 HIS 0.171 0.059 9 0 "[ . 1 . 2]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLN 0.075 0.047 15 0 "[ . 1 . 2]"
1 99 GLY 0.139 0.058 12 0 "[ . 1 . 2]"
1 100 LEU 0.002 0.001 4 0 "[ . 1 . 2]"
1 101 GLU 0.216 0.062 15 0 "[ . 1 . 2]"
1 102 ARG 0.141 0.058 12 0 "[ . 1 . 2]"
1 103 ILE 0.006 0.004 9 0 "[ . 1 . 2]"
1 104 LEU 0.518 0.063 9 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER QB 1 4 LEU H . . 5.000 3.477 2.323 4.937 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 5 ILE H . . 5.000 4.407 3.414 4.946 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU HA 1 5 ILE HG12 . . 4.000 3.052 2.080 3.703 . 0 0 "[ . 1 . 2]" 1
4 1 2 LEU HA 1 5 ILE HG13 . . 4.000 3.404 2.584 3.932 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA H 1 4 LEU H . . 4.000 2.726 2.532 2.896 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA HA 1 4 LEU H . . 4.000 3.525 3.459 3.570 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA HA 1 6 TRP HB2 . . 3.300 3.299 3.256 3.379 0.079 20 0 "[ . 1 . 2]" 1
8 1 3 ALA MB 1 4 LEU H . . 5.000 2.632 2.297 2.931 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU H 1 4 LEU MD1 . . 4.000 3.790 3.355 4.009 0.009 2 0 "[ . 1 . 2]" 1
10 1 4 LEU HA 1 5 ILE H . . 4.000 3.564 3.546 3.568 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU HA 1 6 TRP H . . 5.000 4.536 4.320 4.884 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU HA 1 7 ASP QB . . 3.300 2.860 2.501 3.054 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU QB 1 5 ILE H . . 3.300 2.304 2.200 2.564 . 0 0 "[ . 1 . 2]" 1
14 1 5 ILE H 1 5 ILE HB . . 4.000 2.993 2.561 3.614 . 0 0 "[ . 1 . 2]" 1
15 1 5 ILE H 1 5 ILE MG . . 4.000 3.188 2.210 3.765 . 0 0 "[ . 1 . 2]" 1
16 1 5 ILE H 1 6 TRP H . . 3.300 2.757 2.595 2.901 . 0 0 "[ . 1 . 2]" 1
17 1 5 ILE HA 1 6 TRP H . . 4.000 3.540 3.513 3.567 . 0 0 "[ . 1 . 2]" 1
18 1 5 ILE HA 1 8 ASP QB . . 3.300 2.954 2.729 3.300 0.000 19 0 "[ . 1 . 2]" 1
19 1 5 ILE HB 1 6 TRP H . . 4.000 2.951 2.308 3.742 . 0 0 "[ . 1 . 2]" 1
20 1 6 TRP H 1 6 TRP QB . . 3.300 2.161 2.103 2.220 . 0 0 "[ . 1 . 2]" 1
21 1 6 TRP HA 1 7 ASP H . . 4.500 3.557 3.542 3.568 . 0 0 "[ . 1 . 2]" 1
22 1 6 TRP QB 1 7 ASP H . . 3.300 2.390 2.262 2.537 . 0 0 "[ . 1 . 2]" 1
23 1 7 ASP H 1 7 ASP QB . . 3.300 2.246 2.160 2.419 . 0 0 "[ . 1 . 2]" 1
24 1 7 ASP H 1 8 ASP H . . 3.300 2.817 2.685 2.974 . 0 0 "[ . 1 . 2]" 1
25 1 7 ASP HA 1 8 ASP H . . 4.000 3.550 3.522 3.569 . 0 0 "[ . 1 . 2]" 1
26 1 7 ASP QB 1 8 ASP H . . 3.300 2.446 2.159 2.674 . 0 0 "[ . 1 . 2]" 1
27 1 8 ASP H 1 8 ASP QB . . 3.300 2.227 2.185 2.311 . 0 0 "[ . 1 . 2]" 1
28 1 8 ASP H 1 9 LEU H . . 4.000 2.715 2.550 2.833 . 0 0 "[ . 1 . 2]" 1
29 1 8 ASP HA 1 9 LEU H . . 4.500 3.547 3.499 3.568 . 0 0 "[ . 1 . 2]" 1
30 1 8 ASP HA 1 11 SER H . . 4.000 3.636 3.321 3.868 . 0 0 "[ . 1 . 2]" 1
31 1 8 ASP HA 1 11 SER HB2 . . 4.000 3.673 3.191 4.063 0.063 10 0 "[ . 1 . 2]" 1
32 1 8 ASP HA 1 11 SER HB3 . . 4.000 2.768 2.218 4.043 0.043 10 0 "[ . 1 . 2]" 1
33 1 8 ASP QB 1 9 LEU H . . 4.500 2.452 2.198 2.762 . 0 0 "[ . 1 . 2]" 1
34 1 9 LEU H 1 9 LEU HG . . 4.000 4.007 3.836 4.100 0.100 20 0 "[ . 1 . 2]" 1
35 1 9 LEU H 1 9 LEU QB . . 3.300 2.066 2.036 2.087 . 0 0 "[ . 1 . 2]" 1
36 1 9 LEU H 1 10 ARG H . . 4.000 2.891 2.778 2.998 . 0 0 "[ . 1 . 2]" 1
37 1 9 LEU HA 1 10 ARG H . . 4.500 3.565 3.551 3.572 . 0 0 "[ . 1 . 2]" 1
38 1 9 LEU HA 1 12 LEU QB . . 3.300 3.101 2.840 3.288 . 0 0 "[ . 1 . 2]" 1
39 1 6 TRP HE3 1 9 LEU HB2 . . 5.000 4.184 3.454 4.749 . 0 0 "[ . 1 . 2]" 1
40 1 6 TRP HE3 1 9 LEU HB3 . . 5.000 4.397 3.964 4.963 . 0 0 "[ . 1 . 2]" 1
41 1 10 ARG H 1 11 SER H . . 4.000 2.734 2.554 2.909 . 0 0 "[ . 1 . 2]" 1
42 1 10 ARG HA 1 11 SER H . . 5.000 3.541 3.495 3.567 . 0 0 "[ . 1 . 2]" 1
43 1 10 ARG HA 1 13 CYS H . . 4.500 3.591 3.417 3.849 . 0 0 "[ . 1 . 2]" 1
44 1 10 ARG HA 1 13 CYS HB2 . . 4.000 3.191 2.302 3.954 . 0 0 "[ . 1 . 2]" 1
45 1 10 ARG HA 1 13 CYS HB3 . . 4.000 3.147 2.498 3.992 . 0 0 "[ . 1 . 2]" 1
46 1 10 ARG HA 1 14 LEU H . . 5.000 3.710 3.468 3.996 . 0 0 "[ . 1 . 2]" 1
47 1 10 ARG QD 1 14 LEU MD1 . . 5.000 3.725 1.855 5.001 0.001 20 0 "[ . 1 . 2]" 1
48 1 10 ARG QG 1 14 LEU MD1 . . 4.000 3.020 1.981 3.983 . 0 0 "[ . 1 . 2]" 1
49 1 11 SER H 1 11 SER HB2 . . 4.000 2.779 2.231 3.546 . 0 0 "[ . 1 . 2]" 1
50 1 11 SER H 1 11 SER HB3 . . 3.300 2.556 2.233 2.914 . 0 0 "[ . 1 . 2]" 1
51 1 11 SER HA 1 14 LEU QB . . 5.000 3.107 2.723 3.566 . 0 0 "[ . 1 . 2]" 1
52 1 12 LEU H 1 13 CYS H . . 4.000 2.721 2.584 2.864 . 0 0 "[ . 1 . 2]" 1
53 1 12 LEU HA 1 15 PHE H . . 4.000 3.742 3.548 3.937 . 0 0 "[ . 1 . 2]" 1
54 1 13 CYS H 1 14 LEU H . . 4.000 2.888 2.713 2.977 . 0 0 "[ . 1 . 2]" 1
55 1 13 CYS HA 1 16 SER QB . . 4.000 3.037 2.569 3.888 . 0 0 "[ . 1 . 2]" 1
56 1 13 CYS HB2 1 14 LEU H . . 5.000 3.300 2.410 3.957 . 0 0 "[ . 1 . 2]" 1
57 1 13 CYS HB3 1 14 LEU H . . 4.500 2.415 2.068 2.934 . 0 0 "[ . 1 . 2]" 1
58 1 14 LEU H 1 14 LEU QB . . 3.300 2.246 2.126 2.549 . 0 0 "[ . 1 . 2]" 1
59 1 14 LEU HA 1 17 TYR H . . 4.000 3.741 3.485 3.898 . 0 0 "[ . 1 . 2]" 1
60 1 14 LEU HA 1 17 TYR QB . . 4.000 2.824 2.533 3.052 . 0 0 "[ . 1 . 2]" 1
61 1 14 LEU HA 1 17 TYR QD . . 4.000 3.885 3.535 3.996 . 0 0 "[ . 1 . 2]" 1
62 1 15 PHE H 1 15 PHE QD . . 5.000 4.163 4.081 4.185 . 0 0 "[ . 1 . 2]" 1
63 1 15 PHE QB 1 16 SER H . . 4.000 2.398 2.182 2.550 . 0 0 "[ . 1 . 2]" 1
64 1 17 TYR QE 1 21 ARG QD . . 4.000 3.147 2.150 3.708 . 0 0 "[ . 1 . 2]" 1
65 1 19 ARG H 1 19 ARG HG2 . . 4.000 4.142 4.131 4.154 0.154 5 0 "[ . 1 . 2]" 1
66 1 19 ARG HG2 1 22 ASP H . . 5.000 5.070 5.044 5.095 0.095 3 0 "[ . 1 . 2]" 1
67 1 22 ASP HB2 1 23 LEU H . . 4.000 3.436 2.666 3.812 . 0 0 "[ . 1 . 2]" 1
68 1 22 ASP HB3 1 23 LEU H . . 4.000 2.346 2.167 2.888 . 0 0 "[ . 1 . 2]" 1
69 1 24 LEU HA 1 27 VAL HB . . 4.000 2.903 2.550 4.104 0.104 16 0 "[ . 1 . 2]" 1
70 1 24 LEU HA 1 27 VAL H . . 5.000 3.845 3.470 4.061 . 0 0 "[ . 1 . 2]" 1
71 1 24 LEU HA 1 28 THR H . . 5.000 3.663 3.519 3.975 . 0 0 "[ . 1 . 2]" 1
72 1 26 ILE H 1 26 ILE HB . . 4.000 2.676 2.489 3.612 . 0 0 "[ . 1 . 2]" 1
73 1 26 ILE H 1 27 VAL H . . 4.000 2.853 2.689 2.959 . 0 0 "[ . 1 . 2]" 1
74 1 26 ILE HA 1 27 VAL H . . 4.500 3.553 3.510 3.572 . 0 0 "[ . 1 . 2]" 1
75 1 26 ILE HA 1 29 ARG HB2 . . 4.000 2.985 2.469 3.632 . 0 0 "[ . 1 . 2]" 1
76 1 26 ILE HA 1 29 ARG HB3 . . 4.000 3.367 2.523 4.000 . 0 0 "[ . 1 . 2]" 1
77 1 26 ILE HB 1 27 VAL H . . 4.000 2.918 2.194 3.997 . 0 0 "[ . 1 . 2]" 1
78 1 27 VAL H 1 27 VAL HB . . 4.000 2.530 2.422 2.594 . 0 0 "[ . 1 . 2]" 1
79 1 27 VAL H 1 27 VAL MG1 . . 4.000 3.672 2.001 3.766 . 0 0 "[ . 1 . 2]" 1
80 1 27 VAL HA 1 28 THR H . . 4.000 3.569 3.544 3.571 . 0 0 "[ . 1 . 2]" 1
81 1 27 VAL HA 1 29 ARG H . . 5.000 4.417 4.077 4.792 . 0 0 "[ . 1 . 2]" 1
82 1 27 VAL HA 1 30 ILE H . . 4.000 3.745 3.539 3.900 . 0 0 "[ . 1 . 2]" 1
83 1 27 VAL HA 1 30 ILE HB . . 3.300 3.229 3.062 3.349 0.049 7 0 "[ . 1 . 2]" 1
84 1 27 VAL HB 1 28 THR H . . 4.000 2.279 2.136 3.896 . 0 0 "[ . 1 . 2]" 1
85 1 28 THR H 1 28 THR HB . . 4.000 2.979 2.394 3.619 . 0 0 "[ . 1 . 2]" 1
86 1 28 THR H 1 29 ARG H . . 4.000 2.814 2.718 2.890 . 0 0 "[ . 1 . 2]" 1
87 1 28 THR HA 1 29 ARG H . . 4.000 3.531 3.480 3.565 . 0 0 "[ . 1 . 2]" 1
88 1 28 THR HA 1 31 VAL H . . 4.000 3.567 3.445 3.702 . 0 0 "[ . 1 . 2]" 1
89 1 28 THR HA 1 31 VAL HB . . 3.300 2.619 2.483 2.797 . 0 0 "[ . 1 . 2]" 1
90 1 28 THR HA 1 31 VAL MG2 . . 4.000 2.564 2.295 3.080 . 0 0 "[ . 1 . 2]" 1
91 1 28 THR HB 1 29 ARG H . . 4.000 3.204 2.362 3.984 . 0 0 "[ . 1 . 2]" 1
92 1 28 THR HB 1 31 VAL MG2 . . 5.000 4.907 4.512 5.070 0.070 16 0 "[ . 1 . 2]" 1
93 1 29 ARG H 1 29 ARG QB . . 3.300 2.173 2.068 2.252 . 0 0 "[ . 1 . 2]" 1
94 1 29 ARG H 1 29 ARG QD . . 5.000 4.176 3.626 4.493 . 0 0 "[ . 1 . 2]" 1
95 1 29 ARG H 1 30 ILE H . . 4.000 2.845 2.688 2.994 . 0 0 "[ . 1 . 2]" 1
96 1 29 ARG HA 1 30 ILE H . . 4.000 3.566 3.548 3.571 . 0 0 "[ . 1 . 2]" 1
97 1 29 ARG QD 1 32 GLU H . . 5.000 4.962 4.778 5.024 0.024 16 0 "[ . 1 . 2]" 1
98 1 30 ILE H 1 30 ILE HB . . 3.300 2.535 2.169 2.610 . 0 0 "[ . 1 . 2]" 1
99 1 30 ILE H 1 31 VAL H . . 3.300 2.713 2.615 2.831 . 0 0 "[ . 1 . 2]" 1
100 1 30 ILE HA 1 33 LEU H . . 4.000 3.461 3.179 3.714 . 0 0 "[ . 1 . 2]" 1
101 1 30 ILE HA 1 33 LEU HB2 . . 3.300 2.806 2.121 3.292 . 0 0 "[ . 1 . 2]" 1
102 1 30 ILE HA 1 33 LEU HB3 . . 3.300 3.209 2.839 3.310 0.010 5 0 "[ . 1 . 2]" 1
103 1 31 VAL H 1 31 VAL HB . . 3.300 2.551 2.492 2.602 . 0 0 "[ . 1 . 2]" 1
104 1 31 VAL HA 1 32 GLU H . . 4.500 3.548 3.524 3.569 . 0 0 "[ . 1 . 2]" 1
105 1 31 VAL HA 1 34 LEU H . . 5.000 3.669 3.429 3.908 . 0 0 "[ . 1 . 2]" 1
106 1 31 VAL HA 1 34 LEU HB3 . . 3.300 3.138 2.799 3.318 0.018 16 0 "[ . 1 . 2]" 1
107 1 32 GLU H 1 32 GLU QB . . 3.300 2.295 2.178 2.500 . 0 0 "[ . 1 . 2]" 1
108 1 32 GLU H 1 33 LEU H . . 3.300 2.545 2.381 2.726 . 0 0 "[ . 1 . 2]" 1
109 1 33 LEU H 1 33 LEU QB . . 3.300 2.075 2.037 2.118 . 0 0 "[ . 1 . 2]" 1
110 1 33 LEU H 1 33 LEU MD1 . . 3.300 3.173 2.670 3.309 0.009 16 0 "[ . 1 . 2]" 1
111 1 33 LEU H 1 34 LEU H . . 4.000 2.539 2.410 2.720 . 0 0 "[ . 1 . 2]" 1
112 1 33 LEU H 1 35 GLY H . . 5.000 3.926 3.560 4.705 . 0 0 "[ . 1 . 2]" 1
113 1 34 LEU H 1 34 LEU QB . . 3.300 2.260 2.190 2.321 . 0 0 "[ . 1 . 2]" 1
114 1 34 LEU H 1 34 LEU MD1 . . 4.000 4.006 3.956 4.055 0.055 16 0 "[ . 1 . 2]" 1
115 1 34 LEU H 1 35 GLY HA2 . . 5.000 4.997 4.814 5.068 0.068 20 0 "[ . 1 . 2]" 1
116 1 34 LEU H 1 35 GLY HA3 . . 5.000 4.727 4.516 4.846 . 0 0 "[ . 1 . 2]" 1
117 1 34 LEU HA 1 35 GLY H . . 4.000 3.449 3.274 3.574 . 0 0 "[ . 1 . 2]" 1
118 1 35 GLY HA2 1 37 ARG H . . 5.000 4.384 3.698 4.978 . 0 0 "[ . 1 . 2]" 1
119 1 37 ARG H 1 37 ARG QB . . 3.300 2.324 2.052 2.887 . 0 0 "[ . 1 . 2]" 1
120 1 37 ARG H 1 37 ARG QD . . 4.500 4.154 2.003 4.499 . 0 0 "[ . 1 . 2]" 1
121 1 37 ARG H 1 37 ARG QG . . 4.000 3.412 2.166 4.038 0.038 7 0 "[ . 1 . 2]" 1
122 1 37 ARG H 1 38 GLY H . . 3.300 2.572 2.060 2.807 . 0 0 "[ . 1 . 2]" 1
123 1 37 ARG HA 1 38 GLY H . . 4.000 3.308 3.143 3.562 . 0 0 "[ . 1 . 2]" 1
124 1 37 ARG HA 1 40 GLU H . . 4.000 3.713 3.086 4.008 0.008 18 0 "[ . 1 . 2]" 1
125 1 37 ARG QB 1 38 GLY H . . 4.000 3.279 2.411 3.954 . 0 0 "[ . 1 . 2]" 1
126 1 38 GLY HA2 1 39 TRP H . . 4.000 3.469 3.410 3.541 . 0 0 "[ . 1 . 2]" 1
127 1 38 GLY HA3 1 39 TRP H . . 4.000 2.997 2.807 3.113 . 0 0 "[ . 1 . 2]" 1
128 1 39 TRP H 1 39 TRP QB . . 3.300 2.217 2.081 2.288 . 0 0 "[ . 1 . 2]" 1
129 1 39 TRP H 1 40 GLU H . . 4.000 2.811 2.374 2.984 . 0 0 "[ . 1 . 2]" 1
130 1 39 TRP HA 1 39 TRP HE3 . . 2.700 2.119 1.992 2.704 0.004 16 0 "[ . 1 . 2]" 1
131 1 39 TRP HA 1 42 LEU HG . . 5.000 4.072 3.103 4.589 . 0 0 "[ . 1 . 2]" 1
132 1 39 TRP HA 1 42 LEU QB . . 3.300 2.815 2.491 3.354 0.054 16 0 "[ . 1 . 2]" 1
133 1 39 TRP QB 1 40 GLU H . . 4.000 2.285 2.070 2.844 . 0 0 "[ . 1 . 2]" 1
134 1 40 GLU H 1 40 GLU QB . . 3.300 2.326 2.187 2.568 . 0 0 "[ . 1 . 2]" 1
135 1 40 GLU H 1 40 GLU QG . . 4.000 2.980 1.923 4.014 0.014 3 0 "[ . 1 . 2]" 1
136 1 40 GLU H 1 41 ALA H . . 4.000 2.900 2.829 2.971 . 0 0 "[ . 1 . 2]" 1
137 1 40 GLU H 1 42 LEU H . . 5.000 4.441 4.163 4.688 . 0 0 "[ . 1 . 2]" 1
138 1 40 GLU H 1 43 LYS H . . 5.000 4.909 4.802 5.024 0.024 9 0 "[ . 1 . 2]" 1
139 1 40 GLU HA 1 41 ALA H . . 4.000 3.562 3.534 3.569 . 0 0 "[ . 1 . 2]" 1
140 1 40 GLU HA 1 43 LYS QE . . 5.000 3.777 2.369 5.013 0.013 16 0 "[ . 1 . 2]" 1
141 1 40 GLU HA 1 44 TYR QD . . 5.000 3.888 3.787 4.314 . 0 0 "[ . 1 . 2]" 1
142 1 40 GLU HA 1 44 TYR QE . . 5.000 4.740 4.605 4.996 . 0 0 "[ . 1 . 2]" 1
143 1 40 GLU QB 1 41 ALA H . . 4.000 2.507 2.211 3.332 . 0 0 "[ . 1 . 2]" 1
144 1 41 ALA HA 1 44 TYR QD . . 5.000 2.997 2.893 3.047 . 0 0 "[ . 1 . 2]" 1
145 1 41 ALA HA 1 44 TYR QE . . 5.000 5.035 5.001 5.085 0.085 20 0 "[ . 1 . 2]" 1
146 1 41 ALA MB 1 42 LEU H . . 3.300 2.397 2.276 2.709 . 0 0 "[ . 1 . 2]" 1
147 1 41 ALA MB 1 44 TYR QD . . 5.000 4.436 4.278 4.481 . 0 0 "[ . 1 . 2]" 1
148 1 41 ALA MB 1 45 TRP HD1 . . 5.000 3.330 3.038 3.673 . 0 0 "[ . 1 . 2]" 1
149 1 42 LEU H 1 42 LEU HG . . 3.300 2.727 2.276 3.492 0.192 12 0 "[ . 1 . 2]" 1
150 1 42 LEU H 1 42 LEU QB . . 3.300 2.257 2.110 2.430 . 0 0 "[ . 1 . 2]" 1
151 1 42 LEU H 1 42 LEU QD . . 4.000 3.182 1.941 3.413 . 0 0 "[ . 1 . 2]" 1
152 1 42 LEU H 1 43 LYS H . . 3.300 2.928 2.756 3.006 . 0 0 "[ . 1 . 2]" 1
153 1 42 LEU HA 1 43 LYS H . . 4.000 3.560 3.501 3.570 . 0 0 "[ . 1 . 2]" 1
154 1 42 LEU HA 1 45 TRP H . . 4.000 3.687 3.576 3.872 . 0 0 "[ . 1 . 2]" 1
155 1 42 LEU HA 1 45 TRP HD1 . . 5.000 2.461 2.011 3.193 . 0 0 "[ . 1 . 2]" 1
156 1 43 LYS H 1 43 LYS QB . . 3.300 2.292 2.044 2.567 . 0 0 "[ . 1 . 2]" 1
157 1 43 LYS H 1 43 LYS QE . . 5.000 3.926 2.809 4.840 . 0 0 "[ . 1 . 2]" 1
158 1 43 LYS HA 1 46 TRP H . . 4.000 3.655 3.551 3.720 . 0 0 "[ . 1 . 2]" 1
159 1 43 LYS HA 1 46 TRP QB . . 3.300 2.825 2.612 2.971 . 0 0 "[ . 1 . 2]" 1
160 1 43 LYS QB 1 46 TRP H . . 5.000 5.025 4.999 5.078 0.078 20 0 "[ . 1 . 2]" 1
161 1 44 TYR H 1 44 TYR QE . . 5.000 5.053 5.002 5.222 0.222 9 0 "[ . 1 . 2]" 1
162 1 44 TYR H 1 45 TRP H . . 4.000 2.859 2.733 3.024 . 0 0 "[ . 1 . 2]" 1
163 1 44 TYR H 1 46 TRP H . . 5.000 4.214 4.137 4.270 . 0 0 "[ . 1 . 2]" 1
164 1 44 TYR HA 1 46 TRP H . . 5.000 4.528 4.393 4.623 . 0 0 "[ . 1 . 2]" 1
165 1 44 TYR HA 1 47 ASN HB2 . . 3.300 3.279 3.057 3.344 0.044 9 0 "[ . 1 . 2]" 1
166 1 44 TYR HA 1 47 ASN HB3 . . 3.300 3.182 2.776 3.338 0.038 9 0 "[ . 1 . 2]" 1
167 1 45 TRP HA 1 46 TRP H . . 4.500 3.549 3.538 3.555 . 0 0 "[ . 1 . 2]" 1
168 1 45 TRP HA 1 48 LEU H . . 4.000 3.958 3.751 4.027 0.027 15 0 "[ . 1 . 2]" 1
169 1 45 TRP HA 1 48 LEU MD1 . . 5.000 3.495 2.144 5.043 0.043 9 0 "[ . 1 . 2]" 1
170 1 45 TRP HA 1 48 LEU MD2 . . 5.000 4.448 3.952 4.909 . 0 0 "[ . 1 . 2]" 1
171 1 46 TRP H 1 46 TRP QB . . 3.300 2.221 2.147 2.257 . 0 0 "[ . 1 . 2]" 1
172 1 46 TRP H 1 47 ASN H . . 4.000 2.754 2.600 2.848 . 0 0 "[ . 1 . 2]" 1
173 1 46 TRP H 1 48 LEU H . . 5.000 4.377 4.227 4.527 . 0 0 "[ . 1 . 2]" 1
174 1 46 TRP HA 1 49 LEU H . . 4.000 3.700 3.531 3.981 . 0 0 "[ . 1 . 2]" 1
175 1 46 TRP HE3 1 49 LEU HB2 . . 4.000 3.970 3.702 4.037 0.037 20 0 "[ . 1 . 2]" 1
176 1 46 TRP QB 1 47 ASN H . . 4.000 2.324 2.174 2.743 . 0 0 "[ . 1 . 2]" 1
177 1 47 ASN H 1 47 ASN HB2 . . 3.300 2.187 2.121 2.436 . 0 0 "[ . 1 . 2]" 1
178 1 47 ASN H 1 47 ASN HB3 . . 4.000 2.962 2.644 3.075 . 0 0 "[ . 1 . 2]" 1
179 1 47 ASN H 1 48 LEU H . . 4.000 2.889 2.748 2.955 . 0 0 "[ . 1 . 2]" 1
180 1 47 ASN HA 1 50 GLN H . . 4.000 3.868 3.755 4.002 0.002 10 0 "[ . 1 . 2]" 1
181 1 47 ASN HA 1 50 GLN QB . . 3.300 3.174 2.776 3.330 0.030 16 0 "[ . 1 . 2]" 1
182 1 47 ASN HB2 1 48 LEU H . . 4.500 3.377 3.253 3.609 . 0 0 "[ . 1 . 2]" 1
183 1 47 ASN HB3 1 48 LEU H . . 4.500 2.312 2.189 2.510 . 0 0 "[ . 1 . 2]" 1
184 1 48 LEU H 1 48 LEU HG . . 4.000 3.238 1.965 3.857 . 0 0 "[ . 1 . 2]" 1
185 1 48 LEU H 1 49 LEU H . . 3.300 2.795 2.696 2.960 . 0 0 "[ . 1 . 2]" 1
186 1 48 LEU HA 1 51 TYR QD . . 4.000 2.733 2.510 2.803 . 0 0 "[ . 1 . 2]" 1
187 1 48 LEU HA 1 51 TYR QE . . 5.000 4.985 4.757 5.041 0.041 3 0 "[ . 1 . 2]" 1
188 1 45 TRP HE3 1 48 LEU MD1 . . 5.000 4.094 2.424 4.888 . 0 0 "[ . 1 . 2]" 1
189 1 48 LEU MD2 1 51 TYR QD . . 5.000 4.116 2.933 5.025 0.025 15 0 "[ . 1 . 2]" 1
190 1 49 LEU H 1 49 LEU QB . . 3.300 2.173 2.057 2.231 . 0 0 "[ . 1 . 2]" 1
191 1 49 LEU H 1 50 GLN H . . 3.300 2.947 2.867 2.990 . 0 0 "[ . 1 . 2]" 1
192 1 49 LEU HA 1 52 TRP H . . 4.000 3.925 3.763 4.012 0.012 5 0 "[ . 1 . 2]" 1
193 1 49 LEU HA 1 52 TRP HD1 . . 5.000 2.993 2.594 3.276 . 0 0 "[ . 1 . 2]" 1
194 1 50 GLN H 1 50 GLN QB . . 3.300 2.418 2.320 2.526 . 0 0 "[ . 1 . 2]" 1
195 1 50 GLN H 1 51 TYR H . . 3.300 2.674 2.615 2.743 . 0 0 "[ . 1 . 2]" 1
196 1 50 GLN H 1 52 TRP H . . 5.000 4.707 4.641 4.774 . 0 0 "[ . 1 . 2]" 1
197 1 50 GLN HA 1 53 SER HB2 . . 3.300 3.217 3.036 3.303 0.003 13 0 "[ . 1 . 2]" 1
198 1 50 GLN HA 1 53 SER HB3 . . 3.300 2.743 2.650 3.005 . 0 0 "[ . 1 . 2]" 1
199 1 50 GLN QB 1 51 TYR H . . 3.300 2.716 2.635 2.784 . 0 0 "[ . 1 . 2]" 1
200 1 51 TYR H 1 51 TYR QB . . 3.300 2.134 2.059 2.221 . 0 0 "[ . 1 . 2]" 1
201 1 51 TYR H 1 52 TRP H . . 4.000 2.885 2.851 2.969 . 0 0 "[ . 1 . 2]" 1
202 1 51 TYR HA 1 52 TRP H . . 5.000 3.569 3.569 3.570 . 0 0 "[ . 1 . 2]" 1
203 1 51 TYR HA 1 54 GLN QB . . 3.300 3.283 3.189 3.365 0.065 4 0 "[ . 1 . 2]" 1
204 1 51 TYR HA 1 54 GLN QG . . 5.000 4.696 4.375 5.005 0.005 3 0 "[ . 1 . 2]" 1
205 1 52 TRP H 1 52 TRP HE1 . . 5.000 4.724 4.584 4.853 . 0 0 "[ . 1 . 2]" 1
206 1 52 TRP H 1 53 SER H . . 4.500 2.787 2.740 2.832 . 0 0 "[ . 1 . 2]" 1
207 1 52 TRP HA 1 55 GLU H . . 4.000 3.485 3.422 3.531 . 0 0 "[ . 1 . 2]" 1
208 1 52 TRP HA 1 55 GLU HB2 . . 3.300 2.482 2.196 3.288 . 0 0 "[ . 1 . 2]" 1
209 1 52 TRP HA 1 55 GLU HB3 . . 3.300 3.019 2.008 3.323 0.023 9 0 "[ . 1 . 2]" 1
210 1 52 TRP HE3 1 55 GLU HB2 . . 5.000 3.451 3.243 3.914 . 0 0 "[ . 1 . 2]" 1
211 1 53 SER HA 1 56 LEU HB2 . . 3.300 3.284 3.014 3.338 0.038 4 0 "[ . 1 . 2]" 1
212 1 54 GLN HA 1 55 GLU H . . 4.000 3.500 3.466 3.510 . 0 0 "[ . 1 . 2]" 1
213 1 54 GLN HA 1 57 LYS H . . 3.300 3.369 3.344 3.409 0.109 20 0 "[ . 1 . 2]" 1
214 1 54 GLN HA 1 57 LYS HG2 . . 5.000 4.163 1.974 4.947 . 0 0 "[ . 1 . 2]" 1
215 1 54 GLN HA 1 57 LYS QB . . 3.300 2.405 2.225 3.359 0.059 20 0 "[ . 1 . 2]" 1
216 1 54 GLN HA 1 57 LYS QE . . 5.000 4.039 2.102 5.025 0.025 7 0 "[ . 1 . 2]" 1
217 1 54 GLN HA 1 58 ASN H . . 4.000 3.484 3.371 3.655 . 0 0 "[ . 1 . 2]" 1
218 1 55 GLU H 1 55 GLU HB2 . . 3.300 2.239 2.066 2.900 . 0 0 "[ . 1 . 2]" 1
219 1 55 GLU H 1 55 GLU HB3 . . 3.300 3.071 2.218 3.350 0.050 20 0 "[ . 1 . 2]" 1
220 1 55 GLU HA 1 58 ASN H . . 4.000 3.966 3.630 4.005 0.005 9 0 "[ . 1 . 2]" 1
221 1 57 LYS H 1 58 ASN H . . 3.300 2.779 2.511 2.819 . 0 0 "[ . 1 . 2]" 1
222 1 57 LYS H 1 59 SER H . . 4.000 4.024 4.016 4.108 0.108 20 0 "[ . 1 . 2]" 1
223 1 57 LYS HA 1 58 ASN H . . 4.000 3.569 3.527 3.572 . 0 0 "[ . 1 . 2]" 1
224 1 57 LYS HA 1 60 ALA MB . . 3.300 2.714 2.582 2.806 . 0 0 "[ . 1 . 2]" 1
225 1 57 LYS HA 1 61 VAL H . . 4.000 4.002 3.773 4.020 0.020 11 0 "[ . 1 . 2]" 1
226 1 57 LYS QB 1 58 ASN H . . 3.300 2.264 2.117 3.395 0.095 20 0 "[ . 1 . 2]" 1
227 1 58 ASN H 1 59 SER H . . 3.300 2.766 2.620 2.789 . 0 0 "[ . 1 . 2]" 1
228 1 58 ASN HA 1 61 VAL HB . . 3.300 3.175 3.150 3.266 . 0 0 "[ . 1 . 2]" 1
229 1 58 ASN HA 1 61 VAL H . . 4.000 3.865 3.857 3.882 . 0 0 "[ . 1 . 2]" 1
230 1 59 SER H 1 59 SER HB2 . . 3.300 2.587 2.428 2.748 . 0 0 "[ . 1 . 2]" 1
231 1 59 SER H 1 59 SER HB3 . . 3.300 2.497 2.348 2.654 . 0 0 "[ . 1 . 2]" 1
232 1 59 SER HA 1 60 ALA H . . 4.100 3.560 3.548 3.562 . 0 0 "[ . 1 . 2]" 1
233 1 59 SER HA 1 62 ASN H . . 3.300 3.447 3.441 3.493 0.193 20 0 "[ . 1 . 2]" 1
234 1 59 SER HA 1 62 ASN HB2 . . 3.300 3.251 3.139 3.308 0.008 20 0 "[ . 1 . 2]" 1
235 1 59 SER HA 1 62 ASN HB3 . . 3.300 2.576 2.533 2.666 . 0 0 "[ . 1 . 2]" 1
236 1 59 SER HA 1 63 LEU H . . 4.000 4.040 4.016 4.052 0.052 14 0 "[ . 1 . 2]" 1
237 1 59 SER QB 1 60 ALA H . . 4.400 2.386 2.324 2.539 . 0 0 "[ . 1 . 2]" 1
238 1 60 ALA H 1 61 VAL H . . 3.300 2.921 2.815 2.935 . 0 0 "[ . 1 . 2]" 1
239 1 60 ALA H 1 62 ASN H . . 4.000 4.100 4.068 4.113 0.113 6 0 "[ . 1 . 2]" 1
240 1 60 ALA HA 1 61 VAL H . . 4.500 3.566 3.561 3.568 . 0 0 "[ . 1 . 2]" 1
241 1 60 ALA HA 1 63 LEU HB2 . . 3.300 3.377 3.356 3.384 0.084 20 0 "[ . 1 . 2]" 1
242 1 60 ALA HA 1 63 LEU HB3 . . 3.300 3.319 3.314 3.329 0.029 17 0 "[ . 1 . 2]" 1
243 1 61 VAL H 1 61 VAL HB . . 3.300 2.554 2.492 2.600 . 0 0 "[ . 1 . 2]" 1
244 1 61 VAL H 1 61 VAL MG1 . . 4.000 3.764 3.760 3.765 . 0 0 "[ . 1 . 2]" 1
245 1 61 VAL H 1 61 VAL MG2 . . 4.000 2.245 2.176 2.288 . 0 0 "[ . 1 . 2]" 1
246 1 61 VAL H 1 62 ASN H . . 3.300 2.653 2.625 2.668 . 0 0 "[ . 1 . 2]" 1
247 1 61 VAL HA 1 62 ASN H . . 4.000 3.523 3.522 3.528 . 0 0 "[ . 1 . 2]" 1
248 1 61 VAL HA 1 63 LEU H . . 5.000 4.271 4.195 4.307 . 0 0 "[ . 1 . 2]" 1
249 1 61 VAL HA 1 64 LEU H . . 3.300 3.494 3.487 3.516 0.216 19 0 "[ . 1 . 2]" 1
250 1 61 VAL HA 1 64 LEU QB . . 3.300 2.824 2.680 3.359 0.059 14 0 "[ . 1 . 2]" 1
251 1 61 VAL HA 1 65 ASN H . . 5.000 3.904 3.872 4.027 . 0 0 "[ . 1 . 2]" 1
252 1 61 VAL HB 1 62 ASN H . . 4.000 2.699 2.664 2.707 . 0 0 "[ . 1 . 2]" 1
253 1 62 ASN H 1 62 ASN HB2 . . 3.300 2.450 2.374 2.495 . 0 0 "[ . 1 . 2]" 1
254 1 62 ASN H 1 62 ASN HB3 . . 3.300 2.627 2.580 2.713 . 0 0 "[ . 1 . 2]" 1
255 1 62 ASN HA 1 65 ASN QB . . 3.300 2.979 2.555 3.107 . 0 0 "[ . 1 . 2]" 1
256 1 63 LEU H 1 63 LEU HB2 . . 3.300 2.291 2.280 2.312 . 0 0 "[ . 1 . 2]" 1
257 1 63 LEU H 1 63 LEU HB3 . . 2.700 2.770 2.750 2.782 0.082 17 0 "[ . 1 . 2]" 1
258 1 63 LEU H 1 64 LEU H . . 3.300 2.587 2.578 2.618 . 0 0 "[ . 1 . 2]" 1
259 1 63 LEU H 1 65 ASN H . . 5.000 4.220 3.884 4.318 . 0 0 "[ . 1 . 2]" 1
260 1 63 LEU HA 1 64 LEU H . . 4.000 3.544 3.542 3.553 . 0 0 "[ . 1 . 2]" 1
261 1 63 LEU HA 1 66 ALA MB . . 3.300 2.847 2.786 3.097 . 0 0 "[ . 1 . 2]" 1
262 1 64 LEU H 1 64 LEU HG . . 3.300 2.491 2.236 2.952 . 0 0 "[ . 1 . 2]" 1
263 1 64 LEU H 1 64 LEU QB . . 3.300 2.337 2.174 2.450 . 0 0 "[ . 1 . 2]" 1
264 1 64 LEU H 1 64 LEU QD . . 4.000 3.161 3.047 3.329 . 0 0 "[ . 1 . 2]" 1
265 1 64 LEU HA 1 65 ASN H . . 4.000 3.557 3.511 3.565 . 0 0 "[ . 1 . 2]" 1
266 1 64 LEU HA 1 66 ALA H . . 5.000 5.011 5.003 5.051 0.051 6 0 "[ . 1 . 2]" 1
267 1 64 LEU HA 1 67 THR HB . . 3.300 2.823 2.784 2.833 . 0 0 "[ . 1 . 2]" 1
268 1 64 LEU HA 1 67 THR MG . . 4.000 4.039 4.010 4.049 0.049 9 0 "[ . 1 . 2]" 1
269 1 65 ASN H 1 65 ASN QB . . 3.300 2.159 2.051 2.324 . 0 0 "[ . 1 . 2]" 1
270 1 65 ASN H 1 66 ALA H . . 3.300 2.873 2.789 2.939 . 0 0 "[ . 1 . 2]" 1
271 1 65 ASN HA 1 68 ALA H . . 3.300 3.457 3.445 3.494 0.194 14 0 "[ . 1 . 2]" 1
272 1 65 ASN HA 1 68 ALA MB . . 3.300 2.722 2.579 2.976 . 0 0 "[ . 1 . 2]" 1
273 1 65 ASN HB2 1 66 ALA H . . 3.300 2.900 2.340 3.311 0.011 6 0 "[ . 1 . 2]" 1
274 1 66 ALA HA 1 69 ILE HB . . 3.300 2.826 2.399 2.997 . 0 0 "[ . 1 . 2]" 1
275 1 66 ALA HA 1 69 ILE HG12 . . 3.300 3.336 3.321 3.460 0.160 19 0 "[ . 1 . 2]" 1
276 1 66 ALA MB 1 67 THR H . . 3.300 2.519 2.491 2.627 . 0 0 "[ . 1 . 2]" 1
277 1 67 THR H 1 67 THR HB . . 3.300 2.466 2.455 2.517 . 0 0 "[ . 1 . 2]" 1
278 1 67 THR H 1 67 THR MG . . 4.000 3.756 3.754 3.764 . 0 0 "[ . 1 . 2]" 1
279 1 67 THR H 1 68 ALA H . . 3.300 2.682 2.659 2.745 . 0 0 "[ . 1 . 2]" 1
280 1 67 THR HA 1 70 ALA MB . . 3.300 2.845 2.668 3.131 . 0 0 "[ . 1 . 2]" 1
281 1 67 THR HB 1 68 ALA H . . 3.300 2.643 2.567 2.661 . 0 0 "[ . 1 . 2]" 1
282 1 68 ALA H 1 69 ILE H . . 3.300 2.608 2.555 2.672 . 0 0 "[ . 1 . 2]" 1
283 1 68 ALA H 1 70 ALA H . . 5.000 4.084 4.067 4.218 . 0 0 "[ . 1 . 2]" 1
284 1 68 ALA HA 1 69 ILE H . . 4.000 3.517 3.479 3.535 . 0 0 "[ . 1 . 2]" 1
285 1 68 ALA HA 1 71 VAL H . . 3.300 3.378 3.341 3.422 0.122 14 0 "[ . 1 . 2]" 1
286 1 68 ALA HA 1 71 VAL HB . . 3.300 3.012 2.608 3.402 0.102 6 0 "[ . 1 . 2]" 1
287 1 68 ALA MB 1 69 ILE H . . 3.300 2.715 2.590 2.820 . 0 0 "[ . 1 . 2]" 1
288 1 69 ILE H 1 69 ILE HB . . 3.300 2.488 2.209 2.537 . 0 0 "[ . 1 . 2]" 1
289 1 69 ILE HA 1 70 ALA H . . 4.000 3.513 3.509 3.526 . 0 0 "[ . 1 . 2]" 1
290 1 69 ILE HA 1 72 ALA MB . . 3.300 2.708 2.557 2.927 . 0 0 "[ . 1 . 2]" 1
291 1 69 ILE HB 1 70 ALA H . . 3.300 2.767 2.693 2.885 . 0 0 "[ . 1 . 2]" 1
292 1 70 ALA H 1 71 VAL H . . 3.300 2.379 2.333 2.452 . 0 0 "[ . 1 . 2]" 1
293 1 70 ALA HA 1 71 VAL H . . 3.300 3.471 3.464 3.478 0.178 1 0 "[ . 1 . 2]" 1
294 1 70 ALA HA 1 73 GLU HB2 . . 4.000 3.777 2.772 4.001 0.001 18 0 "[ . 1 . 2]" 1
295 1 70 ALA HA 1 73 GLU HB3 . . 4.000 3.816 3.282 4.010 0.010 3 0 "[ . 1 . 2]" 1
296 1 70 ALA MB 1 71 VAL H . . 3.300 2.896 2.814 2.956 . 0 0 "[ . 1 . 2]" 1
297 1 71 VAL H 1 71 VAL HB . . 3.300 2.439 2.414 2.445 . 0 0 "[ . 1 . 2]" 1
298 1 71 VAL H 1 71 VAL QG . . 3.300 2.440 2.385 2.535 . 0 0 "[ . 1 . 2]" 1
299 1 71 VAL HA 1 73 GLU H . . 5.000 3.846 3.555 4.186 . 0 0 "[ . 1 . 2]" 1
300 1 71 VAL HA 1 74 GLY H . . 4.000 3.792 3.239 4.000 . 0 0 "[ . 1 . 2]" 1
301 1 72 ALA H 1 73 GLU H . . 4.000 2.506 2.304 2.617 . 0 0 "[ . 1 . 2]" 1
302 1 72 ALA HA 1 73 GLU H . . 4.000 3.426 3.223 3.466 . 0 0 "[ . 1 . 2]" 1
303 1 72 ALA MB 1 73 GLU H . . 4.000 2.972 2.870 3.366 . 0 0 "[ . 1 . 2]" 1
304 1 73 GLU QB 1 74 GLY H . . 4.000 3.464 3.188 3.645 . 0 0 "[ . 1 . 2]" 1
305 1 73 GLU HA 1 74 GLY H . . 3.300 3.200 3.079 3.370 0.070 19 0 "[ . 1 . 2]" 1
306 1 75 THR H 1 75 THR HB . . 4.000 2.758 2.477 2.943 . 0 0 "[ . 1 . 2]" 1
307 1 75 THR H 1 75 THR MG . . 4.000 3.426 2.108 3.784 . 0 0 "[ . 1 . 2]" 1
308 1 75 THR H 1 76 ASP H . . 4.000 2.511 2.357 2.681 . 0 0 "[ . 1 . 2]" 1
309 1 75 THR HA 1 78 VAL HB . . 3.300 3.263 3.092 3.308 0.008 10 0 "[ . 1 . 2]" 1
310 1 75 THR MG 1 79 ILE MG . . 5.000 4.307 3.391 4.949 . 0 0 "[ . 1 . 2]" 1
311 1 75 THR HA 1 76 ASP H . . 3.300 3.418 3.409 3.567 0.267 2 0 "[ . 1 . 2]" 1
312 1 76 ASP H 1 76 ASP QB . . 3.300 2.292 2.192 2.671 . 0 0 "[ . 1 . 2]" 1
313 1 76 ASP H 1 77 ARG H . . 4.000 2.787 2.660 2.907 . 0 0 "[ . 1 . 2]" 1
314 1 76 ASP HA 1 77 ARG H . . 4.000 3.525 3.500 3.563 . 0 0 "[ . 1 . 2]" 1
315 1 76 ASP HA 1 78 VAL H . . 5.000 4.826 4.185 4.989 . 0 0 "[ . 1 . 2]" 1
316 1 76 ASP HA 1 79 ILE H . . 5.000 3.705 3.262 3.943 . 0 0 "[ . 1 . 2]" 1
317 1 76 ASP HA 1 79 ILE QG . . 5.000 3.902 3.018 5.034 0.034 14 0 "[ . 1 . 2]" 1
318 1 76 ASP HA 1 79 ILE MG . . 4.000 3.599 1.930 4.023 0.023 15 0 "[ . 1 . 2]" 1
319 1 76 ASP QB 1 77 ARG H . . 4.000 2.763 2.516 3.342 . 0 0 "[ . 1 . 2]" 1
320 1 77 ARG H 1 77 ARG QB . . 2.700 2.258 2.132 2.525 . 0 0 "[ . 1 . 2]" 1
321 1 77 ARG H 1 78 VAL H . . 3.300 2.823 2.698 2.904 . 0 0 "[ . 1 . 2]" 1
322 1 77 ARG HA 1 78 VAL H . . 4.000 3.565 3.514 3.572 . 0 0 "[ . 1 . 2]" 1
323 1 77 ARG HA 1 79 ILE H . . 5.000 4.557 4.333 4.996 . 0 0 "[ . 1 . 2]" 1
324 1 75 THR HA 1 78 VAL H . . 4.000 3.353 3.217 3.591 . 0 0 "[ . 1 . 2]" 1
325 1 78 VAL H 1 78 VAL HB . . 3.300 2.605 2.564 2.679 . 0 0 "[ . 1 . 2]" 1
326 1 78 VAL H 1 78 VAL MG1 . . 4.000 3.764 3.758 3.780 . 0 0 "[ . 1 . 2]" 1
327 1 78 VAL H 1 78 VAL MG2 . . 3.300 2.074 1.930 2.226 . 0 0 "[ . 1 . 2]" 1
328 1 78 VAL H 1 79 ILE H . . 4.000 2.804 2.463 2.978 . 0 0 "[ . 1 . 2]" 1
329 1 78 VAL HB 1 79 ILE H . . 3.300 2.520 2.125 2.754 . 0 0 "[ . 1 . 2]" 1
330 1 78 VAL HA 1 79 ILE H . . 4.500 3.544 3.511 3.571 . 0 0 "[ . 1 . 2]" 1
331 1 79 ILE H 1 79 ILE HB . . 3.300 2.505 2.409 2.536 . 0 0 "[ . 1 . 2]" 1
332 1 76 ASP HA 1 79 ILE MD . . 5.000 3.584 1.978 5.008 0.008 7 0 "[ . 1 . 2]" 1
333 1 79 ILE MG 1 83 GLN HG2 . . 4.000 3.833 2.772 4.098 0.098 14 0 "[ . 1 . 2]" 1
334 1 79 ILE HA 1 80 GLU H . . 5.000 3.534 3.490 3.572 . 0 0 "[ . 1 . 2]" 1
335 1 80 GLU H 1 83 GLN H . . 5.000 4.824 4.544 5.020 0.020 9 0 "[ . 1 . 2]" 1
336 1 80 GLU HA 1 83 GLN QG . . 4.000 3.028 2.113 4.073 0.073 20 0 "[ . 1 . 2]" 1
337 1 80 GLU QG 1 81 VAL H . . 4.000 3.574 2.016 4.183 0.183 14 0 "[ . 1 . 2]" 1
338 1 78 VAL HA 1 81 VAL H . . 4.000 3.709 3.587 3.975 . 0 0 "[ . 1 . 2]" 1
339 1 81 VAL H 1 82 LEU H . . 3.300 2.628 2.503 2.773 . 0 0 "[ . 1 . 2]" 1
340 1 81 VAL H 1 82 LEU HB2 . . 5.000 4.665 4.492 4.812 . 0 0 "[ . 1 . 2]" 1
341 1 81 VAL H 1 82 LEU HB3 . . 5.000 5.084 5.006 5.146 0.146 13 0 "[ . 1 . 2]" 1
342 1 81 VAL H 1 83 GLN H . . 5.000 4.255 3.814 4.713 . 0 0 "[ . 1 . 2]" 1
343 1 81 VAL HA 1 82 LEU H . . 4.500 3.540 3.510 3.572 . 0 0 "[ . 1 . 2]" 1
344 1 81 VAL HA 1 84 ALA MB . . 3.300 2.473 2.152 2.887 . 0 0 "[ . 1 . 2]" 1
345 1 81 VAL HB 1 82 LEU H . . 4.000 3.008 2.157 4.011 0.011 17 0 "[ . 1 . 2]" 1
346 1 81 VAL MG1 1 82 LEU H . . 4.000 2.888 2.044 3.977 . 0 0 "[ . 1 . 2]" 1
347 1 81 VAL MG2 1 82 LEU H . . 4.000 3.629 2.137 3.847 . 0 0 "[ . 1 . 2]" 1
348 1 79 ILE HA 1 82 LEU H . . 4.000 3.559 3.368 3.856 . 0 0 "[ . 1 . 2]" 1
349 1 82 LEU H 1 82 LEU QB . . 3.300 2.156 2.124 2.222 . 0 0 "[ . 1 . 2]" 1
350 1 82 LEU H 1 82 LEU QD . . 3.300 3.417 3.356 3.551 0.251 15 0 "[ . 1 . 2]" 1
351 1 82 LEU H 1 83 GLN H . . 4.000 2.803 2.573 2.932 . 0 0 "[ . 1 . 2]" 1
352 1 82 LEU HA 1 85 ALA MB . . 3.300 3.034 2.649 3.298 . 0 0 "[ . 1 . 2]" 1
353 1 82 LEU HB2 1 83 GLN H . . 4.000 3.547 3.431 3.689 . 0 0 "[ . 1 . 2]" 1
354 1 82 LEU HB3 1 83 GLN H . . 4.000 2.384 2.102 2.699 . 0 0 "[ . 1 . 2]" 1
355 1 79 ILE HA 1 83 GLN H . . 5.000 3.734 3.546 3.975 . 0 0 "[ . 1 . 2]" 1
356 1 83 GLN H 1 83 GLN QB . . 3.300 2.389 2.115 2.580 . 0 0 "[ . 1 . 2]" 1
357 1 83 GLN H 1 84 ALA H . . 3.300 2.671 2.496 2.780 . 0 0 "[ . 1 . 2]" 1
358 1 83 GLN H 1 84 ALA MB . . 5.000 4.282 4.157 4.386 . 0 0 "[ . 1 . 2]" 1
359 1 83 GLN H 1 85 ALA H . . 4.500 4.313 3.989 4.513 0.013 13 0 "[ . 1 . 2]" 1
360 1 83 GLN HA 1 86 TYR QB . . 3.300 2.773 2.421 3.261 . 0 0 "[ . 1 . 2]" 1
361 1 83 GLN HB2 1 84 ALA H . . 4.000 3.637 2.441 3.975 . 0 0 "[ . 1 . 2]" 1
362 1 83 GLN HB3 1 84 ALA H . . 4.000 3.369 2.351 3.923 . 0 0 "[ . 1 . 2]" 1
363 1 83 GLN HG2 1 84 ALA H . . 5.000 3.021 1.959 4.869 . 0 0 "[ . 1 . 2]" 1
364 1 83 GLN HG3 1 87 ARG HD2 . . 5.000 4.540 2.502 5.015 0.015 5 0 "[ . 1 . 2]" 1
365 1 81 VAL HA 1 84 ALA H . . 4.000 3.638 3.426 3.833 . 0 0 "[ . 1 . 2]" 1
366 1 84 ALA H 1 85 ALA H . . 3.300 2.816 2.683 2.938 . 0 0 "[ . 1 . 2]" 1
367 1 84 ALA HA 1 85 ALA H . . 4.000 3.561 3.543 3.572 . 0 0 "[ . 1 . 2]" 1
368 1 81 VAL MG1 1 84 ALA MB . . 5.000 4.070 3.362 5.010 0.010 10 0 "[ . 1 . 2]" 1
369 1 81 VAL MG2 1 84 ALA MB . . 5.000 3.960 3.450 4.559 . 0 0 "[ . 1 . 2]" 1
370 1 84 ALA MB 1 85 ALA H . . 4.000 2.412 2.240 2.540 . 0 0 "[ . 1 . 2]" 1
371 1 81 VAL HA 1 85 ALA H . . 4.000 3.603 3.346 3.754 . 0 0 "[ . 1 . 2]" 1
372 1 85 ALA HA 1 89 ILE H . . 5.000 4.037 3.768 4.322 . 0 0 "[ . 1 . 2]" 1
373 1 81 VAL MG1 1 85 ALA MB . . 5.000 3.509 2.645 4.864 . 0 0 "[ . 1 . 2]" 1
374 1 82 LEU MD1 1 85 ALA MB . . 5.000 3.871 3.490 4.318 . 0 0 "[ . 1 . 2]" 1
375 1 85 ALA HA 1 86 TYR H . . 4.500 3.563 3.535 3.572 . 0 0 "[ . 1 . 2]" 1
376 1 86 TYR H 1 86 TYR QB . . 3.300 2.228 2.119 2.256 . 0 0 "[ . 1 . 2]" 1
377 1 86 TYR H 1 86 TYR QD . . 4.500 4.137 3.858 4.194 . 0 0 "[ . 1 . 2]" 1
378 1 86 TYR H 1 87 ARG H . . 4.000 2.864 2.703 3.073 . 0 0 "[ . 1 . 2]" 1
379 1 86 TYR QD 1 89 ILE MG . . 3.300 3.243 2.792 3.450 0.150 13 0 "[ . 1 . 2]" 1
380 1 85 ALA HA 1 87 ARG H . . 5.000 4.710 4.190 5.062 0.062 18 0 "[ . 1 . 2]" 1
381 1 86 TYR HA 1 87 ARG H . . 4.500 3.553 3.499 3.571 . 0 0 "[ . 1 . 2]" 1
382 1 87 ARG H 1 87 ARG QB . . 3.300 2.224 2.055 2.491 . 0 0 "[ . 1 . 2]" 1
383 1 87 ARG H 1 88 ALA H . . 3.300 2.786 2.592 3.024 . 0 0 "[ . 1 . 2]" 1
384 1 87 ARG H 1 89 ILE H . . 5.000 4.426 3.911 4.809 . 0 0 "[ . 1 . 2]" 1
385 1 87 ARG HA 1 88 ALA H . . 4.000 3.547 3.478 3.570 . 0 0 "[ . 1 . 2]" 1
386 1 87 ARG HD3 1 91 HIS HE1 . . 5.000 4.651 3.221 5.059 0.059 9 0 "[ . 1 . 2]" 1
387 1 87 ARG QB 1 88 ALA H . . 3.300 2.599 2.248 3.351 0.051 18 0 "[ . 1 . 2]" 1
388 1 85 ALA HA 1 88 ALA H . . 4.000 3.686 3.445 3.908 . 0 0 "[ . 1 . 2]" 1
389 1 88 ALA H 1 89 ILE H . . 4.000 2.837 2.520 3.052 . 0 0 "[ . 1 . 2]" 1
390 1 88 ALA HA 1 89 ILE H . . 4.500 3.555 3.508 3.573 . 0 0 "[ . 1 . 2]" 1
391 1 88 ALA HA 1 91 HIS HD2 . . 4.000 3.639 2.226 4.057 0.057 8 0 "[ . 1 . 2]" 1
392 1 88 ALA MB 1 89 ILE H . . 4.000 2.433 2.161 2.801 . 0 0 "[ . 1 . 2]" 1
393 1 89 ILE H 1 89 ILE HB . . 4.000 2.561 2.280 3.591 . 0 0 "[ . 1 . 2]" 1
394 1 89 ILE H 1 89 ILE QG . . 4.500 3.343 2.105 4.089 . 0 0 "[ . 1 . 2]" 1
395 1 89 ILE H 1 90 ARG H . . 4.000 2.584 2.301 2.759 . 0 0 "[ . 1 . 2]" 1
396 1 87 ARG HA 1 90 ARG H . . 5.000 3.476 3.134 3.725 . 0 0 "[ . 1 . 2]" 1
397 1 88 ALA HA 1 90 ARG H . . 5.000 4.175 3.827 4.513 . 0 0 "[ . 1 . 2]" 1
398 1 90 ARG HA 1 91 HIS H . . 5.000 3.511 3.462 3.570 . 0 0 "[ . 1 . 2]" 1
399 1 97 ARG H 1 98 GLN H . . 4.500 2.744 2.374 2.992 . 0 0 "[ . 1 . 2]" 1
400 1 97 ARG HA 1 100 LEU QD . . 5.000 3.514 1.960 4.819 . 0 0 "[ . 1 . 2]" 1
401 1 98 GLN HA 1 101 GLU QG . . 4.000 3.142 1.982 4.047 0.047 15 0 "[ . 1 . 2]" 1
402 1 99 GLY H 1 102 ARG H . . 4.500 4.496 4.419 4.558 0.058 12 0 "[ . 1 . 2]" 1
403 1 99 GLY HA2 1 102 ARG QB . . 3.300 2.312 1.971 3.317 0.017 12 0 "[ . 1 . 2]" 1
404 1 97 ARG HA 1 100 LEU H . . 4.000 3.455 3.232 3.906 . 0 0 "[ . 1 . 2]" 1
405 1 100 LEU H 1 100 LEU QD . . 4.000 3.317 2.073 3.723 . 0 0 "[ . 1 . 2]" 1
406 1 100 LEU HA 1 103 ILE HG12 . . 4.000 2.566 1.997 3.717 . 0 0 "[ . 1 . 2]" 1
407 1 100 LEU HA 1 103 ILE HG13 . . 4.000 3.443 2.600 4.001 0.001 4 0 "[ . 1 . 2]" 1
408 1 100 LEU QB 1 101 GLU H . . 4.000 2.590 2.366 3.500 . 0 0 "[ . 1 . 2]" 1
409 1 101 GLU H 1 101 GLU QB . . 3.300 2.402 2.197 2.593 . 0 0 "[ . 1 . 2]" 1
410 1 101 GLU H 1 101 GLU QG . . 4.000 2.646 1.962 4.062 0.062 15 0 "[ . 1 . 2]" 1
411 1 101 GLU H 1 102 ARG H . . 4.000 2.444 2.316 2.580 . 0 0 "[ . 1 . 2]" 1
412 1 101 GLU H 1 103 ILE H . . 4.500 4.163 3.577 4.376 . 0 0 "[ . 1 . 2]" 1
413 1 101 GLU HA 1 103 ILE H . . 4.500 4.345 3.974 4.504 0.004 9 0 "[ . 1 . 2]" 1
414 1 101 GLU HA 1 104 LEU HB2 . . 3.300 2.657 2.066 3.305 0.005 11 0 "[ . 1 . 2]" 1
415 1 101 GLU HA 1 104 LEU HB3 . . 3.300 2.911 2.026 3.329 0.029 9 0 "[ . 1 . 2]" 1
416 1 101 GLU QB 1 102 ARG H . . 4.000 3.111 2.448 3.562 . 0 0 "[ . 1 . 2]" 1
417 1 102 ARG H 1 102 ARG QB . . 2.700 2.227 2.159 2.246 . 0 0 "[ . 1 . 2]" 1
418 1 102 ARG H 1 102 ARG QD . . 5.000 4.299 3.506 4.709 . 0 0 "[ . 1 . 2]" 1
419 1 102 ARG H 1 102 ARG QG . . 4.000 3.676 2.650 4.002 0.002 14 0 "[ . 1 . 2]" 1
420 1 103 ILE H 1 103 ILE QG . . 4.000 2.033 1.930 2.121 . 0 0 "[ . 1 . 2]" 1
421 1 103 ILE H 1 103 ILE MG . . 4.000 2.443 2.223 3.767 . 0 0 "[ . 1 . 2]" 1
422 1 103 ILE H 1 104 LEU H . . 3.300 2.513 2.251 2.625 . 0 0 "[ . 1 . 2]" 1
423 1 103 ILE H 1 105 LEU H . . 5.000 4.509 4.096 4.999 . 0 0 "[ . 1 . 2]" 1
424 1 103 ILE HA 1 104 LEU H . . 4.000 3.351 3.102 3.515 . 0 0 "[ . 1 . 2]" 1
425 1 101 GLU HA 1 104 LEU H . . 5.000 3.371 3.103 3.818 . 0 0 "[ . 1 . 2]" 1
426 1 104 LEU H 1 104 LEU HG . . 4.000 3.927 3.353 4.063 0.063 9 0 "[ . 1 . 2]" 1
427 1 104 LEU H 1 104 LEU QB . . 3.300 2.145 2.047 2.279 . 0 0 "[ . 1 . 2]" 1
428 1 104 LEU H 1 104 LEU MD1 . . 5.000 4.175 3.847 4.320 . 0 0 "[ . 1 . 2]" 1
429 1 104 LEU H 1 105 LEU H . . 4.000 2.586 2.041 2.908 . 0 0 "[ . 1 . 2]" 1
430 1 104 LEU HA 1 105 LEU H . . 4.000 3.476 3.054 3.571 . 0 0 "[ . 1 . 2]" 1
431 1 101 GLU HA 1 105 LEU H . . 5.000 4.349 3.668 4.938 . 0 0 "[ . 1 . 2]" 1
432 1 105 LEU H 1 105 LEU HG . . 3.300 2.829 1.951 3.297 . 0 0 "[ . 1 . 2]" 1
433 1 105 LEU H 1 105 LEU QB . . 3.300 2.915 2.236 3.300 0.000 5 0 "[ . 1 . 2]" 1
434 1 105 LEU H 1 105 LEU QD . . 4.000 2.949 1.975 3.666 . 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 154
_Distance_constraint_stats_list.Viol_count 3012
_Distance_constraint_stats_list.Viol_total 11341.974
_Distance_constraint_stats_list.Viol_max 0.433
_Distance_constraint_stats_list.Viol_rms 0.0854
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1841
_Distance_constraint_stats_list.Viol_average_violations_only 0.1883
_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 SER 8.582 0.278 8 0 "[ . 1 . 2]"
1 2 LEU 8.575 0.323 20 0 "[ . 1 . 2]"
1 3 ALA 6.254 0.279 6 0 "[ . 1 . 2]"
1 4 LEU 9.820 0.365 20 0 "[ . 1 . 2]"
1 5 ILE 14.888 0.278 8 0 "[ . 1 . 2]"
1 6 TRP 14.970 0.323 20 0 "[ . 1 . 2]"
1 7 ASP 13.182 0.279 6 0 "[ . 1 . 2]"
1 8 ASP 13.656 0.365 20 0 "[ . 1 . 2]"
1 9 LEU 14.664 0.279 7 0 "[ . 1 . 2]"
1 10 ARG 11.704 0.278 10 0 "[ . 1 . 2]"
1 11 SER 13.482 0.277 10 0 "[ . 1 . 2]"
1 12 LEU 7.452 0.282 10 0 "[ . 1 . 2]"
1 13 CYS 16.936 0.279 7 0 "[ . 1 . 2]"
1 14 LEU 10.121 0.272 12 0 "[ . 1 . 2]"
1 15 PHE 11.717 0.270 20 0 "[ . 1 . 2]"
1 16 SER 9.008 0.272 9 0 "[ . 1 . 2]"
1 17 TYR 17.527 0.279 17 0 "[ . 1 . 2]"
1 18 HIS 11.239 0.272 12 0 "[ . 1 . 2]"
1 19 ARG 11.988 0.270 20 0 "[ . 1 . 2]"
1 20 LEU 15.430 0.302 5 0 "[ . 1 . 2]"
1 21 ARG 16.424 0.279 17 0 "[ . 1 . 2]"
1 22 ASP 16.821 0.311 3 0 "[ . 1 . 2]"
1 23 LEU 15.808 0.311 16 0 "[ . 1 . 2]"
1 24 LEU 18.546 0.302 5 0 "[ . 1 . 2]"
1 25 LEU 11.284 0.282 16 0 "[ . 1 . 2]"
1 26 ILE 20.036 0.327 16 0 "[ . 1 . 2]"
1 27 VAL 15.507 0.311 16 0 "[ . 1 . 2]"
1 28 THR 17.330 0.313 7 0 "[ . 1 . 2]"
1 29 ARG 8.629 0.282 16 0 "[ . 1 . 2]"
1 30 ILE 15.444 0.327 16 0 "[ . 1 . 2]"
1 31 VAL 6.522 0.303 16 0 "[ . 1 . 2]"
1 32 GLU 8.821 0.313 7 0 "[ . 1 . 2]"
1 33 LEU 4.820 0.233 14 0 "[ . 1 . 2]"
1 34 LEU 5.802 0.235 16 0 "[ . 1 . 2]"
1 39 TRP 9.442 0.307 18 0 "[ . 1 . 2]"
1 40 GLU 9.488 0.291 16 0 "[ . 1 . 2]"
1 41 ALA 10.288 0.338 15 0 "[ . 1 . 2]"
1 42 LEU 11.007 0.349 16 0 "[ . 1 . 2]"
1 43 LYS 10.680 0.307 18 0 "[ . 1 . 2]"
1 44 TYR 11.556 0.291 16 0 "[ . 1 . 2]"
1 45 TRP 17.976 0.338 15 0 "[ . 1 . 2]"
1 46 TRP 20.526 0.349 16 0 "[ . 1 . 2]"
1 47 ASN 5.849 0.237 17 0 "[ . 1 . 2]"
1 48 LEU 8.280 0.308 18 0 "[ . 1 . 2]"
1 49 LEU 16.545 0.286 18 0 "[ . 1 . 2]"
1 50 GLN 18.184 0.314 20 0 "[ . 1 . 2]"
1 51 TYR 10.911 0.237 17 0 "[ . 1 . 2]"
1 52 TRP 12.376 0.308 18 0 "[ . 1 . 2]"
1 53 SER 19.337 0.327 20 0 "[ . 1 . 2]"
1 54 GLN 9.769 0.280 4 0 "[ . 1 . 2]"
1 55 GLU 16.354 0.294 20 0 "[ . 1 . 2]"
1 56 LEU 10.668 0.243 20 0 "[ . 1 . 2]"
1 57 LYS 21.133 0.335 20 0 "[ . 1 . 2]"
1 58 ASN 9.421 0.270 20 0 "[ . 1 . 2]"
1 59 SER 12.112 0.294 20 0 "[ . 1 . 2]"
1 60 ALA 16.211 0.350 6 0 "[ . 1 . 2]"
1 61 VAL 20.988 0.335 20 0 "[ . 1 . 2]"
1 62 ASN 20.251 0.343 6 0 "[ . 1 . 2]"
1 63 LEU 11.868 0.311 6 0 "[ . 1 . 2]"
1 64 LEU 22.595 0.356 6 0 "[ . 1 . 2]"
1 65 ASN 18.202 0.301 19 0 "[ . 1 . 2]"
1 66 ALA 23.853 0.348 6 0 "[ . 1 . 2]"
1 67 THR 16.279 0.311 6 0 "[ . 1 . 2]"
1 68 ALA 16.485 0.356 6 0 "[ . 1 . 2]"
1 69 ILE 7.868 0.247 14 0 "[ . 1 . 2]"
1 70 ALA 11.919 0.348 6 0 "[ . 1 . 2]"
1 71 VAL 6.470 0.259 19 0 "[ . 1 . 2]"
1 72 ALA 5.597 0.253 19 0 "[ . 1 . 2]"
1 75 THR 8.151 0.282 12 0 "[ . 1 . 2]"
1 76 ASP 3.704 0.202 10 0 "[ . 1 . 2]"
1 77 ARG 8.585 0.331 15 0 "[ . 1 . 2]"
1 78 VAL 7.335 0.349 15 0 "[ . 1 . 2]"
1 79 ILE 15.150 0.309 18 0 "[ . 1 . 2]"
1 80 GLU 12.706 0.307 10 0 "[ . 1 . 2]"
1 81 VAL 11.272 0.331 15 0 "[ . 1 . 2]"
1 82 LEU 16.526 0.349 15 0 "[ . 1 . 2]"
1 83 GLN 11.707 0.309 18 0 "[ . 1 . 2]"
1 84 ALA 18.113 0.316 9 0 "[ . 1 . 2]"
1 85 ALA 11.294 0.345 17 0 "[ . 1 . 2]"
1 86 TYR 15.293 0.327 13 0 "[ . 1 . 2]"
1 87 ARG 12.572 0.433 17 0 "[ . 1 . 2]"
1 88 ALA 16.010 0.368 17 0 "[ . 1 . 2]"
1 89 ILE 8.607 0.345 17 0 "[ . 1 . 2]"
1 90 ARG 6.102 0.299 18 0 "[ . 1 . 2]"
1 91 HIS 7.864 0.433 17 0 "[ . 1 . 2]"
1 92 ILE 6.899 0.368 17 0 "[ . 1 . 2]"
1 97 ARG 8.433 0.276 19 0 "[ . 1 . 2]"
1 98 GLN 4.513 0.201 14 0 "[ . 1 . 2]"
1 99 GLY 8.471 0.297 9 0 "[ . 1 . 2]"
1 101 GLU 8.433 0.276 19 0 "[ . 1 . 2]"
1 102 ARG 4.513 0.201 14 0 "[ . 1 . 2]"
1 103 ILE 8.471 0.297 9 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 1 SER O 1 5 ILE H . . 1.800 1.980 1.926 2.004 0.204 14 0 "[ . 1 . 2]" 2
2 1 1 SER O 1 5 ILE N . . 2.700 2.949 2.892 2.978 0.278 8 0 "[ . 1 . 2]" 2
3 1 2 LEU O 1 6 TRP H . . 1.800 1.996 1.831 2.111 0.311 20 0 "[ . 1 . 2]" 2
4 1 2 LEU O 1 6 TRP N . . 2.700 2.932 2.781 3.023 0.323 20 0 "[ . 1 . 2]" 2
5 1 3 ALA O 1 7 ASP H . . 1.800 1.936 1.800 2.006 0.206 20 0 "[ . 1 . 2]" 2
6 1 3 ALA O 1 7 ASP N . . 2.700 2.877 2.743 2.979 0.279 6 0 "[ . 1 . 2]" 2
7 1 4 LEU O 1 8 ASP H . . 1.800 2.017 1.964 2.097 0.297 20 0 "[ . 1 . 2]" 2
8 1 4 LEU O 1 8 ASP N . . 2.700 2.974 2.931 3.065 0.365 20 0 "[ . 1 . 2]" 2
9 1 5 ILE O 1 9 LEU H . . 1.800 1.941 1.813 2.028 0.228 10 0 "[ . 1 . 2]" 2
10 1 5 ILE O 1 9 LEU N . . 2.700 2.874 2.743 2.972 0.272 4 0 "[ . 1 . 2]" 2
11 1 6 TRP O 1 10 ARG H . . 1.800 1.927 1.813 2.015 0.215 10 0 "[ . 1 . 2]" 2
12 1 6 TRP O 1 10 ARG N . . 2.700 2.892 2.787 2.978 0.278 10 0 "[ . 1 . 2]" 2
13 1 7 ASP O 1 11 SER H . . 1.800 1.973 1.829 2.018 0.218 20 0 "[ . 1 . 2]" 2
14 1 7 ASP O 1 11 SER N . . 2.700 2.874 2.752 2.977 0.277 10 0 "[ . 1 . 2]" 2
15 1 8 ASP O 1 12 LEU H . . 1.800 1.871 1.799 2.010 0.210 12 0 "[ . 1 . 2]" 2
16 1 8 ASP O 1 12 LEU N . . 2.700 2.821 2.747 2.982 0.282 10 0 "[ . 1 . 2]" 2
17 1 9 LEU O 1 13 CYS H . . 1.800 1.991 1.928 2.007 0.207 15 0 "[ . 1 . 2]" 2
18 1 9 LEU O 1 13 CYS N . . 2.700 2.927 2.758 2.979 0.279 7 0 "[ . 1 . 2]" 2
19 1 10 ARG O 1 14 LEU H . . 1.800 1.913 1.807 1.998 0.198 1 0 "[ . 1 . 2]" 2
20 1 10 ARG O 1 14 LEU N . . 2.700 2.852 2.756 2.968 0.268 12 0 "[ . 1 . 2]" 2
21 1 11 SER O 1 15 PHE H . . 1.800 1.963 1.811 2.005 0.205 15 0 "[ . 1 . 2]" 2
22 1 11 SER O 1 15 PHE N . . 2.700 2.864 2.770 2.963 0.263 20 0 "[ . 1 . 2]" 2
23 1 12 LEU O 1 16 SER H . . 1.800 1.872 1.805 1.996 0.196 19 0 "[ . 1 . 2]" 2
24 1 12 LEU O 1 16 SER N . . 2.700 2.809 2.749 2.971 0.271 19 0 "[ . 1 . 2]" 2
25 1 13 CYS O 1 17 TYR H . . 1.800 1.989 1.904 2.003 0.203 4 0 "[ . 1 . 2]" 2
26 1 13 CYS O 1 17 TYR N . . 2.700 2.940 2.820 2.974 0.274 7 0 "[ . 1 . 2]" 2
27 1 14 LEU O 1 18 HIS H . . 1.800 1.902 1.820 2.000 0.200 12 0 "[ . 1 . 2]" 2
28 1 14 LEU O 1 18 HIS N . . 2.700 2.839 2.749 2.972 0.272 12 0 "[ . 1 . 2]" 2
29 1 15 PHE O 1 19 ARG H . . 1.800 1.932 1.839 2.000 0.200 4 0 "[ . 1 . 2]" 2
30 1 15 PHE O 1 19 ARG N . . 2.700 2.826 2.753 2.970 0.270 20 0 "[ . 1 . 2]" 2
31 1 16 SER O 1 20 LEU H . . 1.800 1.900 1.800 1.995 0.195 14 0 "[ . 1 . 2]" 2
32 1 16 SER O 1 20 LEU N . . 2.700 2.869 2.755 2.972 0.272 9 0 "[ . 1 . 2]" 2
33 1 17 TYR O 1 21 ARG H . . 1.800 1.988 1.941 2.000 0.200 17 0 "[ . 1 . 2]" 2
34 1 17 TYR O 1 21 ARG N . . 2.700 2.960 2.855 2.979 0.279 17 0 "[ . 1 . 2]" 2
35 1 18 HIS O 1 22 ASP H . . 1.800 2.033 2.027 2.039 0.239 16 0 "[ . 1 . 2]" 2
36 1 18 HIS O 1 22 ASP N . . 2.700 2.789 2.747 2.832 0.132 3 0 "[ . 1 . 2]" 2
37 1 19 ARG O 1 23 LEU H . . 1.800 1.942 1.837 2.010 0.210 3 0 "[ . 1 . 2]" 2
38 1 19 ARG O 1 23 LEU N . . 2.700 2.899 2.802 2.963 0.263 3 0 "[ . 1 . 2]" 2
39 1 20 LEU O 1 24 LEU H . . 1.800 2.031 2.019 2.046 0.246 3 0 "[ . 1 . 2]" 2
40 1 20 LEU O 1 24 LEU N . . 2.700 2.971 2.917 3.002 0.302 5 0 "[ . 1 . 2]" 2
41 1 21 ARG O 1 25 LEU H . . 1.800 2.023 2.007 2.039 0.239 3 0 "[ . 1 . 2]" 2
42 1 21 ARG O 1 25 LEU N . . 2.700 2.851 2.780 2.968 0.268 5 0 "[ . 1 . 2]" 2
43 1 22 ASP O 1 26 ILE H . . 1.800 2.025 2.007 2.043 0.243 3 0 "[ . 1 . 2]" 2
44 1 22 ASP O 1 26 ILE N . . 2.700 2.995 2.957 3.011 0.311 3 0 "[ . 1 . 2]" 2
45 1 23 LEU O 1 27 VAL H . . 1.800 2.004 1.905 2.043 0.243 16 0 "[ . 1 . 2]" 2
46 1 23 LEU O 1 27 VAL N . . 2.700 2.945 2.832 3.011 0.311 16 0 "[ . 1 . 2]" 2
47 1 24 LEU O 1 28 THR H . . 1.800 2.000 1.954 2.050 0.250 16 0 "[ . 1 . 2]" 2
48 1 24 LEU O 1 28 THR N . . 2.700 2.925 2.853 2.980 0.280 17 0 "[ . 1 . 2]" 2
49 1 25 LEU O 1 29 ARG H . . 1.800 1.893 1.800 2.028 0.228 16 0 "[ . 1 . 2]" 2
50 1 25 LEU O 1 29 ARG N . . 2.700 2.797 2.748 2.982 0.282 16 0 "[ . 1 . 2]" 2
51 1 26 ILE O 1 30 ILE H . . 1.800 2.006 1.905 2.064 0.264 16 0 "[ . 1 . 2]" 2
52 1 26 ILE O 1 30 ILE N . . 2.700 2.976 2.880 3.027 0.327 16 0 "[ . 1 . 2]" 2
53 1 27 VAL O 1 31 VAL H . . 1.800 1.945 1.817 2.065 0.265 16 0 "[ . 1 . 2]" 2
54 1 27 VAL O 1 31 VAL N . . 2.700 2.881 2.793 3.003 0.303 16 0 "[ . 1 . 2]" 2
55 1 28 THR O 1 32 GLU H . . 1.800 2.008 1.924 2.086 0.286 16 0 "[ . 1 . 2]" 2
56 1 28 THR O 1 32 GLU N . . 2.700 2.933 2.810 3.013 0.313 7 0 "[ . 1 . 2]" 2
57 1 29 ARG O 1 33 LEU H . . 1.800 1.925 1.806 2.020 0.220 16 0 "[ . 1 . 2]" 2
58 1 29 ARG O 1 33 LEU N . . 2.700 2.816 2.747 2.933 0.233 14 0 "[ . 1 . 2]" 2
59 1 30 ILE O 1 34 LEU H . . 1.800 1.985 1.840 2.035 0.235 16 0 "[ . 1 . 2]" 2
60 1 30 ILE O 1 34 LEU N . . 2.700 2.805 2.749 2.927 0.227 18 0 "[ . 1 . 2]" 2
61 1 39 TRP O 1 43 LYS H . . 1.800 2.003 1.904 2.039 0.239 16 0 "[ . 1 . 2]" 2
62 1 39 TRP O 1 43 LYS N . . 2.700 2.969 2.882 3.007 0.307 18 0 "[ . 1 . 2]" 2
63 1 40 GLU O 1 44 TYR H . . 1.800 2.021 2.002 2.072 0.272 16 0 "[ . 1 . 2]" 2
64 1 40 GLU O 1 44 TYR N . . 2.700 2.954 2.932 2.991 0.291 16 0 "[ . 1 . 2]" 2
65 1 41 ALA O 1 45 TRP H . . 1.800 2.024 1.998 2.066 0.266 15 0 "[ . 1 . 2]" 2
66 1 41 ALA O 1 45 TRP N . . 2.700 2.991 2.970 3.038 0.338 15 0 "[ . 1 . 2]" 2
67 1 42 LEU O 1 46 TRP H . . 1.800 2.043 2.001 2.104 0.304 15 0 "[ . 1 . 2]" 2
68 1 42 LEU O 1 46 TRP N . . 2.700 3.007 2.968 3.049 0.349 16 0 "[ . 1 . 2]" 2
69 1 43 LYS O 1 47 ASN H . . 1.800 1.802 1.778 1.894 0.094 10 0 "[ . 1 . 2]" 2
70 1 43 LYS O 1 47 ASN N . . 2.700 2.752 2.724 2.769 0.069 5 0 "[ . 1 . 2]" 2
71 1 44 TYR O 1 48 LEU H . . 1.800 1.823 1.776 1.922 0.122 20 0 "[ . 1 . 2]" 2
72 1 44 TYR O 1 48 LEU N . . 2.700 2.778 2.730 2.876 0.176 20 0 "[ . 1 . 2]" 2
73 1 45 TRP O 1 49 LEU H . . 1.800 1.992 1.918 2.048 0.248 20 0 "[ . 1 . 2]" 2
74 1 45 TRP O 1 49 LEU N . . 2.700 2.892 2.791 2.986 0.286 18 0 "[ . 1 . 2]" 2
75 1 46 TRP O 1 50 GLN H . . 1.800 2.004 1.834 2.053 0.253 18 0 "[ . 1 . 2]" 2
76 1 46 TRP O 1 50 GLN N . . 2.700 2.972 2.812 3.014 0.314 20 0 "[ . 1 . 2]" 2
77 1 47 ASN O 1 51 TYR H . . 1.800 1.925 1.814 2.024 0.224 19 0 "[ . 1 . 2]" 2
78 1 47 ASN O 1 51 TYR N . . 2.700 2.805 2.727 2.937 0.237 17 0 "[ . 1 . 2]" 2
79 1 48 LEU O 1 52 TRP H . . 1.800 1.917 1.791 2.034 0.234 18 0 "[ . 1 . 2]" 2
80 1 48 LEU O 1 52 TRP N . . 2.700 2.891 2.767 3.008 0.308 18 0 "[ . 1 . 2]" 2
81 1 49 LEU O 1 53 SER H . . 1.800 1.992 1.812 2.028 0.228 4 0 "[ . 1 . 2]" 2
82 1 49 LEU O 1 53 SER N . . 2.700 2.951 2.770 2.985 0.285 4 0 "[ . 1 . 2]" 2
83 1 50 GLN O 1 54 GLN H . . 1.800 1.990 1.864 2.018 0.218 18 0 "[ . 1 . 2]" 2
84 1 50 GLN O 1 54 GLN N . . 2.700 2.943 2.828 2.980 0.280 4 0 "[ . 1 . 2]" 2
85 1 51 TYR O 1 55 GLU H . . 1.800 1.986 1.894 2.026 0.226 9 0 "[ . 1 . 2]" 2
86 1 51 TYR O 1 55 GLU N . . 2.700 2.829 2.729 2.880 0.180 9 0 "[ . 1 . 2]" 2
87 1 52 TRP O 1 56 LEU H . . 1.800 1.931 1.809 1.996 0.196 3 0 "[ . 1 . 2]" 2
88 1 52 TRP O 1 56 LEU N . . 2.700 2.877 2.749 2.939 0.239 3 0 "[ . 1 . 2]" 2
89 1 53 SER O 1 57 LYS H . . 1.800 2.048 2.041 2.077 0.277 20 0 "[ . 1 . 2]" 2
90 1 53 SER O 1 57 LYS N . . 2.700 2.976 2.962 3.027 0.327 20 0 "[ . 1 . 2]" 2
91 1 54 GLN O 1 58 ASN H . . 1.800 1.799 1.790 1.891 0.091 20 0 "[ . 1 . 2]" 2
92 1 54 GLN O 1 58 ASN N . . 2.700 2.749 2.745 2.772 0.072 20 0 "[ . 1 . 2]" 2
93 1 55 GLU O 1 59 SER H . . 1.800 2.051 2.043 2.084 0.284 20 0 "[ . 1 . 2]" 2
94 1 55 GLU O 1 59 SER N . . 2.700 2.952 2.943 2.994 0.294 20 0 "[ . 1 . 2]" 2
95 1 56 LEU O 1 60 ALA H . . 1.800 1.910 1.852 2.043 0.243 20 0 "[ . 1 . 2]" 2
96 1 56 LEU O 1 60 ALA N . . 2.700 2.815 2.765 2.943 0.243 20 0 "[ . 1 . 2]" 2
97 1 57 LYS O 1 61 VAL H . . 1.800 2.028 2.021 2.094 0.294 20 0 "[ . 1 . 2]" 2
98 1 57 LYS O 1 61 VAL N . . 2.700 3.004 3.000 3.035 0.335 20 0 "[ . 1 . 2]" 2
99 1 58 ASN O 1 62 ASN H . . 1.800 2.024 2.018 2.070 0.270 20 0 "[ . 1 . 2]" 2
100 1 58 ASN O 1 62 ASN N . . 2.700 2.892 2.884 2.936 0.236 20 0 "[ . 1 . 2]" 2
101 1 59 SER O 1 63 LEU H . . 1.800 1.861 1.851 1.932 0.132 20 0 "[ . 1 . 2]" 2
102 1 59 SER O 1 63 LEU N . . 2.700 2.742 2.734 2.799 0.099 20 0 "[ . 1 . 2]" 2
103 1 60 ALA O 1 64 LEU H . . 1.800 2.067 2.062 2.087 0.287 6 0 "[ . 1 . 2]" 2
104 1 60 ALA O 1 64 LEU N . . 2.700 3.018 3.011 3.050 0.350 6 0 "[ . 1 . 2]" 2
105 1 61 VAL O 1 65 ASN H . . 1.800 2.028 2.019 2.038 0.238 6 0 "[ . 1 . 2]" 2
106 1 61 VAL O 1 65 ASN N . . 2.700 2.988 2.913 3.001 0.301 19 0 "[ . 1 . 2]" 2
107 1 62 ASN O 1 66 ALA H . . 1.800 2.093 2.086 2.104 0.304 19 0 "[ . 1 . 2]" 2
108 1 62 ASN O 1 66 ALA N . . 2.700 3.004 2.995 3.043 0.343 6 0 "[ . 1 . 2]" 2
109 1 63 LEU O 1 67 THR H . . 1.800 2.050 2.041 2.096 0.296 6 0 "[ . 1 . 2]" 2
110 1 63 LEU O 1 67 THR N . . 2.700 2.941 2.929 3.011 0.311 6 0 "[ . 1 . 2]" 2
111 1 64 LEU O 1 68 ALA H . . 1.800 2.076 2.058 2.156 0.356 6 0 "[ . 1 . 2]" 2
112 1 64 LEU O 1 68 ALA N . . 2.700 2.968 2.954 3.023 0.323 19 0 "[ . 1 . 2]" 2
113 1 65 ASN O 1 69 ILE H . . 1.800 1.993 1.979 2.033 0.233 19 0 "[ . 1 . 2]" 2
114 1 65 ASN O 1 69 ILE N . . 2.700 2.901 2.869 2.947 0.247 14 0 "[ . 1 . 2]" 2
115 1 66 ALA O 1 70 ALA H . . 1.800 2.110 2.102 2.148 0.348 6 0 "[ . 1 . 2]" 2
116 1 66 ALA O 1 70 ALA N . . 2.700 2.986 2.977 3.021 0.321 14 0 "[ . 1 . 2]" 2
117 1 67 THR O 1 71 VAL H . . 1.800 2.015 1.959 2.059 0.259 19 0 "[ . 1 . 2]" 2
118 1 67 THR O 1 71 VAL N . . 2.700 2.809 2.750 2.877 0.177 19 0 "[ . 1 . 2]" 2
119 1 68 ALA O 1 72 ALA H . . 1.800 1.998 1.903 2.053 0.253 19 0 "[ . 1 . 2]" 2
120 1 68 ALA O 1 72 ALA N . . 2.700 2.782 2.746 2.819 0.119 20 0 "[ . 1 . 2]" 2
121 1 75 THR O 1 79 ILE H . . 1.800 1.976 1.892 2.009 0.209 14 0 "[ . 1 . 2]" 2
122 1 75 THR O 1 79 ILE N . . 2.700 2.932 2.867 2.982 0.282 12 0 "[ . 1 . 2]" 2
123 1 76 ASP O 1 80 GLU H . . 1.800 1.906 1.794 2.002 0.202 10 0 "[ . 1 . 2]" 2
124 1 76 ASP O 1 80 GLU N . . 2.700 2.779 2.740 2.900 0.200 9 0 "[ . 1 . 2]" 2
125 1 77 ARG O 1 81 VAL H . . 1.800 1.998 1.902 2.131 0.331 15 0 "[ . 1 . 2]" 2
126 1 77 ARG O 1 81 VAL N . . 2.700 2.931 2.844 3.026 0.326 15 0 "[ . 1 . 2]" 2
127 1 78 VAL O 1 82 LEU H . . 1.800 1.974 1.809 2.149 0.349 15 0 "[ . 1 . 2]" 2
128 1 78 VAL O 1 82 LEU N . . 2.700 2.893 2.750 2.998 0.298 13 0 "[ . 1 . 2]" 2
129 1 79 ILE O 1 83 GLN H . . 1.800 1.953 1.844 2.053 0.253 15 0 "[ . 1 . 2]" 2
130 1 79 ILE O 1 83 GLN N . . 2.700 2.897 2.743 3.009 0.309 18 0 "[ . 1 . 2]" 2
131 1 80 GLU O 1 84 ALA H . . 1.800 2.029 1.930 2.055 0.255 9 0 "[ . 1 . 2]" 2
132 1 80 GLU O 1 84 ALA N . . 2.700 2.921 2.822 3.007 0.307 10 0 "[ . 1 . 2]" 2
133 1 81 VAL O 1 85 ALA H . . 1.800 1.843 1.794 2.040 0.240 15 0 "[ . 1 . 2]" 2
134 1 81 VAL O 1 85 ALA N . . 2.700 2.790 2.741 2.989 0.289 15 0 "[ . 1 . 2]" 2
135 1 82 LEU O 1 86 TYR H . . 1.800 2.016 1.843 2.064 0.264 9 0 "[ . 1 . 2]" 2
136 1 82 LEU O 1 86 TYR N . . 2.700 2.944 2.788 3.027 0.327 13 0 "[ . 1 . 2]" 2
137 1 83 GLN O 1 87 ARG H . . 1.800 1.910 1.798 2.043 0.243 15 0 "[ . 1 . 2]" 2
138 1 83 GLN O 1 87 ARG N . . 2.700 2.825 2.742 3.008 0.308 9 0 "[ . 1 . 2]" 2
139 1 84 ALA O 1 88 ALA H . . 1.800 2.022 1.952 2.114 0.314 13 0 "[ . 1 . 2]" 2
140 1 84 ALA O 1 88 ALA N . . 2.700 2.933 2.853 3.016 0.316 9 0 "[ . 1 . 2]" 2
141 1 85 ALA O 1 89 ILE H . . 1.800 1.988 1.817 2.090 0.290 17 0 "[ . 1 . 2]" 2
142 1 85 ALA O 1 89 ILE N . . 2.700 2.943 2.788 3.045 0.345 17 0 "[ . 1 . 2]" 2
143 1 86 TYR O 1 90 ARG H . . 1.800 2.010 1.862 2.099 0.299 18 0 "[ . 1 . 2]" 2
144 1 86 TYR O 1 90 ARG N . . 2.700 2.795 2.704 2.933 0.233 9 0 "[ . 1 . 2]" 2
145 1 87 ARG O 1 91 HIS H . . 1.800 2.019 1.921 2.200 0.400 17 0 "[ . 1 . 2]" 2
146 1 87 ARG O 1 91 HIS N . . 2.700 2.875 2.749 3.133 0.433 17 0 "[ . 1 . 2]" 2
147 1 88 ALA O 1 92 ILE H . . 1.800 2.027 1.954 2.168 0.368 17 0 "[ . 1 . 2]" 2
148 1 88 ALA O 1 92 ILE N . . 2.700 2.815 2.659 2.946 0.246 9 0 "[ . 1 . 2]" 2
149 1 97 ARG O 1 101 GLU H . . 1.800 1.989 1.883 2.005 0.205 15 0 "[ . 1 . 2]" 2
150 1 97 ARG O 1 101 GLU N . . 2.700 2.932 2.754 2.976 0.276 19 0 "[ . 1 . 2]" 2
151 1 98 GLN O 1 102 ARG H . . 1.800 1.954 1.799 2.001 0.201 14 0 "[ . 1 . 2]" 2
152 1 98 GLN O 1 102 ARG N . . 2.700 2.772 2.743 2.878 0.178 14 0 "[ . 1 . 2]" 2
153 1 99 GLY O 1 103 ILE H . . 1.800 1.995 1.818 2.049 0.249 15 0 "[ . 1 . 2]" 2
154 1 99 GLY O 1 103 ILE N . . 2.700 2.928 2.768 2.997 0.297 9 0 "[ . 1 . 2]" 2
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