Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595376 | 2n29 RC | 25592 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n29
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 341
_Distance_constraint_stats_list.Viol_count 63
_Distance_constraint_stats_list.Viol_total 13.695
_Distance_constraint_stats_list.Viol_max 1.027
_Distance_constraint_stats_list.Viol_rms 0.1224
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0402
_Distance_constraint_stats_list.Viol_average_violations_only 0.2174
_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 GLU 0.348 0.348 1 0 "[ ]"
1 2 TYR 0.500 0.348 1 0 "[ ]"
1 3 ARG 1.071 1.027 1 1 [+]
1 4 LYS 0.441 0.257 1 0 "[ ]"
1 5 ILE 0.658 0.252 1 0 "[ ]"
1 6 LEU 0.434 0.252 1 0 "[ ]"
1 7 ARG 1.417 1.027 1 1 [+]
1 8 GLN 0.000 0.000 . 0 "[ ]"
1 9 ARG 0.044 0.044 1 0 "[ ]"
1 10 LYS 0.002 0.002 1 0 "[ ]"
1 11 ILE 1.442 0.681 1 1 [+]
1 12 ASP 0.606 0.355 1 0 "[ ]"
1 13 ARG 0.002 0.002 1 0 "[ ]"
1 14 LEU 1.540 0.681 1 1 [+]
1 15 ILE 0.000 0.000 . 0 "[ ]"
1 16 ASP 0.000 0.000 . 0 "[ ]"
1 17 ARG 0.244 0.244 1 0 "[ ]"
1 18 LEU 0.849 0.625 1 1 [+]
1 19 ILE 0.855 0.625 1 1 [+]
1 20 GLU 0.298 0.172 1 0 "[ ]"
1 21 ARG 0.446 0.229 1 0 "[ ]"
1 22 ALA 0.959 0.625 1 1 [+]
1 23 GLU 0.188 0.097 1 0 "[ ]"
1 24 ASP 0.095 0.077 1 0 "[ ]"
1 25 SER 0.886 0.312 1 0 "[ ]"
1 26 GLY 0.277 0.169 1 0 "[ ]"
1 27 ASN 0.095 0.077 1 0 "[ ]"
1 28 GLU 0.368 0.145 1 0 "[ ]"
1 29 SER 0.835 0.318 1 0 "[ ]"
1 30 GLU 1.495 0.401 1 0 "[ ]"
1 31 GLY 1.222 0.318 1 0 "[ ]"
1 32 GLU 0.974 0.210 1 0 "[ ]"
1 33 ILE 1.766 0.625 1 1 [+]
1 34 SER 0.416 0.210 1 0 "[ ]"
1 35 ALA 0.610 0.401 1 0 "[ ]"
1 36 LEU 0.557 0.217 1 0 "[ ]"
1 37 VAL 0.000 0.000 . 0 "[ ]"
1 38 GLU 0.458 0.210 1 0 "[ ]"
1 39 LEU 0.346 0.168 1 0 "[ ]"
1 40 GLY 0.363 0.363 1 0 "[ ]"
1 41 VAL 0.814 0.363 1 0 "[ ]"
1 42 GLU 1.103 0.990 1 1 [+]
1 43 LEU 2.250 0.990 1 1 [+]
1 44 GLY 0.712 0.461 1 0 "[ ]"
1 45 HIS 0.492 0.273 1 0 "[ ]"
1 46 HIS 0.181 0.071 1 0 "[ ]"
1 47 ALA 0.541 0.291 1 0 "[ ]"
1 48 PRO 0.291 0.291 1 0 "[ ]"
1 49 TRP 0.492 0.273 1 0 "[ ]"
1 50 ASP 1.042 0.579 1 1 [+]
1 51 VAL 0.288 0.206 1 0 "[ ]"
1 52 ASP 0.579 0.579 1 1 [+]
1 53 ASP 0.579 0.579 1 1 [+]
1 54 LEU 0.661 0.579 1 1 [+]
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 GLU HA 1 2 TYR H 5.000 4.000 6.000 3.652 3.652 3.652 0.348 1 0 "[ ]" 1
2 1 1 GLU HA 1 3 ARG H 2.500 . 3.500 2.908 2.908 2.908 . 0 0 "[ ]" 1
3 1 1 GLU HA 1 6 LEU H 2.500 . 3.500 3.057 3.057 3.057 . 0 0 "[ ]" 1
4 1 1 GLU QB 1 3 ARG H 5.000 4.000 6.000 4.312 4.312 4.312 . 0 0 "[ ]" 1
5 1 1 GLU QB 1 5 ILE H 5.000 4.000 6.000 4.986 4.986 4.986 . 0 0 "[ ]" 1
6 1 1 GLU QG 1 3 ARG H 5.000 4.000 6.000 5.115 5.115 5.115 . 0 0 "[ ]" 1
7 1 1 GLU QG 1 4 LYS H 5.000 4.000 6.000 5.708 5.708 5.708 . 0 0 "[ ]" 1
8 1 2 TYR HA 1 3 ARG H 2.500 . 3.500 3.545 3.545 3.545 0.045 1 0 "[ ]" 1
9 1 2 TYR HA 1 4 LYS H 5.000 4.000 6.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
10 1 2 TYR HA 1 5 ILE H 5.000 4.000 6.000 6.015 6.015 6.015 0.015 1 0 "[ ]" 1
11 1 2 TYR QB 1 3 ARG H 4.000 2.500 4.500 2.575 2.575 2.575 . 0 0 "[ ]" 1
12 1 2 TYR QB 1 4 LYS H 5.000 4.000 6.000 4.558 4.558 4.558 . 0 0 "[ ]" 1
13 1 2 TYR QB 1 5 ILE H 5.000 4.000 6.000 5.118 5.118 5.118 . 0 0 "[ ]" 1
14 1 2 TYR QB 1 6 LEU H 5.000 4.000 6.000 6.092 6.092 6.092 0.092 1 0 "[ ]" 1
15 1 3 ARG H 1 3 ARG QB 2.500 . 3.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
16 1 3 ARG H 1 3 ARG HE 5.000 4.000 6.000 5.162 5.162 5.162 . 0 0 "[ ]" 1
17 1 3 ARG H 1 3 ARG QG 2.500 . 3.500 2.591 2.591 2.591 . 0 0 "[ ]" 1
18 1 3 ARG H 1 4 LYS H 4.000 2.500 4.500 3.454 3.454 3.454 . 0 0 "[ ]" 1
19 1 3 ARG H 1 4 LYS H 4.000 2.500 4.500 3.421 3.421 3.421 . 0 0 "[ ]" 1
20 1 3 ARG H 1 5 ILE MD 5.000 4.000 6.000 5.631 5.631 5.631 . 0 0 "[ ]" 1
21 1 3 ARG H 1 7 ARG H 4.000 2.500 4.500 5.527 5.527 5.527 1.027 1 1 [+] 1
22 1 3 ARG HA 1 4 LYS H 2.500 . 3.500 2.154 2.154 2.154 . 0 0 "[ ]" 1
23 1 3 ARG HA 1 5 ILE H 2.500 . 3.500 2.000 2.000 2.000 . 0 0 "[ ]" 1
24 1 3 ARG QB 1 4 LYS H 2.500 . 3.500 2.696 2.696 2.696 . 0 0 "[ ]" 1
25 1 3 ARG QG 1 5 ILE H 2.500 . 3.500 2.119 2.119 2.119 . 0 0 "[ ]" 1
26 1 4 LYS H 1 4 LYS HG2 4.000 2.500 4.500 4.757 4.757 4.757 0.257 1 0 "[ ]" 1
27 1 4 LYS H 1 4 LYS HG3 4.000 2.500 4.500 4.173 4.173 4.173 . 0 0 "[ ]" 1
28 1 4 LYS H 1 5 ILE H 4.000 2.500 4.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
29 1 4 LYS H 1 5 ILE H 2.500 . 3.500 3.591 3.591 3.591 0.091 1 0 "[ ]" 1
30 1 4 LYS H 1 5 ILE MD 5.000 4.000 6.000 5.179 5.179 5.179 . 0 0 "[ ]" 1
31 1 5 ILE H 1 5 ILE HB 2.500 . 3.500 3.383 3.383 3.383 . 0 0 "[ ]" 1
32 1 5 ILE H 1 5 ILE MD 2.500 . 3.500 3.752 3.752 3.752 0.252 1 0 "[ ]" 1
33 1 5 ILE H 1 5 ILE MG 4.000 2.500 4.500 3.883 3.883 3.883 . 0 0 "[ ]" 1
34 1 5 ILE H 1 7 ARG H 4.000 2.500 4.500 4.709 4.709 4.709 0.209 1 0 "[ ]" 1
35 1 5 ILE HB 1 6 LEU H 4.000 2.500 4.500 2.411 2.411 2.411 0.089 1 0 "[ ]" 1
36 1 5 ILE HB 1 7 ARG H 2.500 . 3.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
37 1 5 ILE HB 1 8 GLN H 2.500 . 3.500 3.269 3.269 3.269 . 0 0 "[ ]" 1
38 1 5 ILE MD 1 6 LEU H 2.500 . 3.500 2.827 2.827 2.827 . 0 0 "[ ]" 1
39 1 5 ILE MD 1 8 GLN H 5.000 4.000 6.000 4.462 4.462 4.462 . 0 0 "[ ]" 1
40 1 6 LEU H 1 6 LEU HA 2.500 . 3.500 2.294 2.294 2.294 . 0 0 "[ ]" 1
41 1 6 LEU H 1 6 LEU QB 2.500 . 3.500 3.451 3.451 3.451 . 0 0 "[ ]" 1
42 1 6 LEU H 1 7 ARG QD 5.000 4.000 6.000 5.617 5.617 5.617 . 0 0 "[ ]" 1
43 1 6 LEU H 1 9 ARG QD 5.000 4.000 6.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
44 1 6 LEU HA 1 7 ARG H 2.500 . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
45 1 6 LEU HA 1 8 GLN H 2.500 . 3.500 2.591 2.591 2.591 . 0 0 "[ ]" 1
46 1 7 ARG H 1 7 ARG QG 2.500 . 3.500 2.027 2.027 2.027 . 0 0 "[ ]" 1
47 1 8 GLN H 1 8 GLN QB 2.500 . 3.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
48 1 8 GLN H 1 8 GLN QG 4.000 2.500 4.500 4.064 4.064 4.064 . 0 0 "[ ]" 1
49 1 9 ARG H 1 9 ARG HA 2.500 . 3.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
50 1 9 ARG H 1 9 ARG QB 2.500 . 3.500 2.202 2.202 2.202 . 0 0 "[ ]" 1
51 1 9 ARG H 1 9 ARG QD 5.000 4.000 6.000 4.728 4.728 4.728 . 0 0 "[ ]" 1
52 1 9 ARG HA 1 11 ILE H 5.000 4.000 6.000 3.956 3.956 3.956 0.044 1 0 "[ ]" 1
53 1 10 LYS HA 1 14 LEU H 2.500 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
54 1 11 ILE H 1 11 ILE HA 4.000 2.500 4.500 2.763 2.763 2.763 . 0 0 "[ ]" 1
55 1 11 ILE H 1 12 ASP QB 5.000 4.000 6.000 4.643 4.643 4.643 . 0 0 "[ ]" 1
56 1 11 ILE HA 1 12 ASP H 4.000 2.500 4.500 3.510 3.510 3.510 . 0 0 "[ ]" 1
57 1 11 ILE HA 1 14 LEU H 5.000 4.000 6.000 3.638 3.638 3.638 0.362 1 0 "[ ]" 1
58 1 11 ILE HB 1 12 ASP H 4.000 2.500 4.500 3.815 3.815 3.815 . 0 0 "[ ]" 1
59 1 11 ILE HB 1 13 ARG H 2.500 . 3.500 2.363 2.363 2.363 . 0 0 "[ ]" 1
60 1 11 ILE HB 1 14 LEU H 2.500 . 3.500 4.181 4.181 4.181 0.681 1 1 [+] 1
61 1 11 ILE QG 1 12 ASP H 5.000 4.000 6.000 3.645 3.645 3.645 0.355 1 0 "[ ]" 1
62 1 11 ILE MG 1 12 ASP H 5.000 4.000 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
63 1 11 ILE MG 1 14 LEU H 5.000 4.000 6.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
64 1 12 ASP H 1 12 ASP HA 4.000 2.500 4.500 2.744 2.744 2.744 . 0 0 "[ ]" 1
65 1 12 ASP H 1 12 ASP QB 2.500 . 3.500 2.231 2.231 2.231 . 0 0 "[ ]" 1
66 1 12 ASP HA 1 13 ARG H 4.000 2.500 4.500 3.456 3.456 3.456 . 0 0 "[ ]" 1
67 1 12 ASP HA 1 14 LEU H 5.000 4.000 6.000 3.750 3.750 3.750 0.250 1 0 "[ ]" 1
68 1 12 ASP QB 1 13 ARG H 2.500 . 3.500 2.863 2.863 2.863 . 0 0 "[ ]" 1
69 1 12 ASP QB 1 14 LEU H 5.000 4.000 6.000 4.381 4.381 4.381 . 0 0 "[ ]" 1
70 1 13 ARG QD 1 14 LEU H 5.000 4.000 6.000 5.053 5.053 5.053 . 0 0 "[ ]" 1
71 1 13 ARG QD 1 17 ARG H 5.000 4.000 6.000 4.301 4.301 4.301 . 0 0 "[ ]" 1
72 1 14 LEU H 1 14 LEU QB 2.500 . 3.500 2.489 2.489 2.489 . 0 0 "[ ]" 1
73 1 14 LEU H 1 15 ILE H 2.500 . 3.500 2.873 2.873 2.873 . 0 0 "[ ]" 1
74 1 14 LEU H 1 15 ILE HA 5.000 4.000 6.000 5.423 5.423 5.423 . 0 0 "[ ]" 1
75 1 14 LEU QB 1 17 ARG H 2.500 . 3.500 3.744 3.744 3.744 0.244 1 0 "[ ]" 1
76 1 15 ILE HA 1 17 ARG H 5.000 4.000 6.000 4.467 4.467 4.467 . 0 0 "[ ]" 1
77 1 15 ILE HB 1 17 ARG H 2.500 . 3.500 2.233 2.233 2.233 . 0 0 "[ ]" 1
78 1 16 ASP H 1 16 ASP HA 2.500 . 3.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
79 1 16 ASP H 1 16 ASP QB 2.500 . 3.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
80 1 16 ASP HA 1 17 ARG H 4.000 2.500 4.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
81 1 16 ASP HA 1 20 GLU H 5.000 4.000 6.000 4.466 4.466 4.466 . 0 0 "[ ]" 1
82 1 16 ASP QB 1 17 ARG H 4.000 2.500 4.500 2.548 2.548 2.548 . 0 0 "[ ]" 1
83 1 17 ARG H 1 17 ARG HA 2.500 . 3.500 2.839 2.839 2.839 . 0 0 "[ ]" 1
84 1 17 ARG HA 1 20 GLU H 2.500 . 3.500 2.705 2.705 2.705 . 0 0 "[ ]" 1
85 1 17 ARG QB 1 21 ARG H 2.500 . 3.500 2.260 2.260 2.260 . 0 0 "[ ]" 1
86 1 17 ARG QB 1 19 ILE H 2.500 . 3.500 3.441 3.441 3.441 . 0 0 "[ ]" 1
87 1 17 ARG QB 1 20 GLU H 2.500 . 3.500 3.483 3.483 3.483 . 0 0 "[ ]" 1
88 1 17 ARG QD 1 20 GLU H 5.000 4.000 6.000 5.879 5.879 5.879 . 0 0 "[ ]" 1
89 1 17 ARG QD 1 21 ARG H 5.000 4.000 6.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
90 1 17 ARG QG 1 21 ARG H 2.500 . 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
91 1 17 ARG QG 1 22 ALA H 4.000 2.500 4.500 3.546 3.546 3.546 . 0 0 "[ ]" 1
92 1 17 ARG QG 1 20 GLU H 5.000 4.000 6.000 4.642 4.642 4.642 . 0 0 "[ ]" 1
93 1 18 LEU HA 1 21 ARG H 4.000 2.500 4.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
94 1 18 LEU QB 1 22 ALA H 2.500 . 3.500 2.744 2.744 2.744 . 0 0 "[ ]" 1
95 1 18 LEU QD 1 20 GLU H 2.500 . 3.500 3.672 3.672 3.672 0.172 1 0 "[ ]" 1
96 1 18 LEU QD 1 21 ARG H 4.000 2.500 4.500 4.243 4.243 4.243 . 0 0 "[ ]" 1
97 1 18 LEU QD 1 22 ALA H 5.000 4.000 6.000 3.375 3.375 3.375 0.625 1 1 [+] 1
98 1 18 LEU QD 1 23 GLU H 5.000 4.000 6.000 4.750 4.750 4.750 . 0 0 "[ ]" 1
99 1 18 LEU MD1 1 25 SER H 5.000 4.000 6.000 6.052 6.052 6.052 0.052 1 0 "[ ]" 1
100 1 18 LEU MD1 1 26 GLY H 5.000 4.000 6.000 5.839 5.839 5.839 . 0 0 "[ ]" 1
101 1 19 ILE H 1 19 ILE HA 2.500 . 3.500 2.855 2.855 2.855 . 0 0 "[ ]" 1
102 1 19 ILE HA 1 20 GLU H 4.000 2.500 4.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
103 1 19 ILE HA 1 21 ARG H 5.000 4.000 6.000 4.455 4.455 4.455 . 0 0 "[ ]" 1
104 1 19 ILE HA 1 22 ALA H 4.000 2.500 4.500 3.706 3.706 3.706 . 0 0 "[ ]" 1
105 1 19 ILE HA 1 23 GLU H 5.000 4.000 6.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
106 1 19 ILE MG 1 20 GLU H 5.000 4.000 6.000 3.994 3.994 3.994 0.006 1 0 "[ ]" 1
107 1 20 GLU H 1 20 GLU QB 2.500 . 3.500 2.386 2.386 2.386 . 0 0 "[ ]" 1
108 1 20 GLU H 1 20 GLU QG 2.500 . 3.500 2.306 2.306 2.306 . 0 0 "[ ]" 1
109 1 20 GLU HA 1 22 ALA H 5.000 4.000 6.000 3.978 3.978 3.978 0.022 1 0 "[ ]" 1
110 1 20 GLU HA 1 23 GLU H 4.000 2.500 4.500 3.377 3.377 3.377 . 0 0 "[ ]" 1
111 1 20 GLU HA 1 24 ASP H 4.000 2.500 4.500 3.604 3.604 3.604 . 0 0 "[ ]" 1
112 1 20 GLU HA 1 25 SER H 2.500 . 3.500 2.793 2.793 2.793 . 0 0 "[ ]" 1
113 1 20 GLU QB 1 21 ARG H 2.500 . 3.500 2.499 2.499 2.499 . 0 0 "[ ]" 1
114 1 20 GLU QB 1 22 ALA H 5.000 4.000 6.000 4.058 4.058 4.058 . 0 0 "[ ]" 1
115 1 20 GLU QB 1 23 GLU H 2.500 . 3.500 2.339 2.339 2.339 . 0 0 "[ ]" 1
116 1 20 GLU QB 1 24 ASP H 2.500 . 3.500 2.616 2.616 2.616 . 0 0 "[ ]" 1
117 1 20 GLU QG 1 21 ARG H 5.000 4.000 6.000 4.024 4.024 4.024 . 0 0 "[ ]" 1
118 1 20 GLU QG 1 22 ALA H 5.000 4.000 6.000 5.781 5.781 5.781 . 0 0 "[ ]" 1
119 1 20 GLU QG 1 23 GLU H 4.000 2.500 4.500 2.403 2.403 2.403 0.097 1 0 "[ ]" 1
120 1 20 GLU QG 1 24 ASP H 5.000 4.000 6.000 4.076 4.076 4.076 . 0 0 "[ ]" 1
121 1 21 ARG H 1 21 ARG HA 2.500 . 3.500 2.721 2.721 2.721 . 0 0 "[ ]" 1
122 1 21 ARG H 1 22 ALA MB 5.000 4.000 6.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
123 1 21 ARG H 1 33 ILE QG 5.000 4.000 6.000 6.048 6.048 6.048 0.048 1 0 "[ ]" 1
124 1 21 ARG HA 1 22 ALA H 2.500 . 3.500 2.732 2.732 2.732 . 0 0 "[ ]" 1
125 1 21 ARG HA 1 23 GLU H 2.500 . 3.500 2.709 2.709 2.709 . 0 0 "[ ]" 1
126 1 21 ARG HA 1 24 ASP H 2.500 . 3.500 2.849 2.849 2.849 . 0 0 "[ ]" 1
127 1 21 ARG HA 1 25 SER H 4.000 2.500 4.500 4.427 4.427 4.427 . 0 0 "[ ]" 1
128 1 21 ARG HA 1 26 GLY H 5.000 4.000 6.000 5.297 5.297 5.297 . 0 0 "[ ]" 1
129 1 21 ARG QD 1 22 ALA H 5.000 4.000 6.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
130 1 21 ARG QD 1 26 GLY H 5.000 4.000 6.000 6.169 6.169 6.169 0.169 1 0 "[ ]" 1
131 1 21 ARG QG 1 25 SER H 5.000 4.000 6.000 6.229 6.229 6.229 0.229 1 0 "[ ]" 1
132 1 22 ALA H 1 22 ALA MB 2.500 . 3.500 2.272 2.272 2.272 . 0 0 "[ ]" 1
133 1 22 ALA H 1 24 ASP QB 5.000 4.000 6.000 4.880 4.880 4.880 . 0 0 "[ ]" 1
134 1 22 ALA H 1 28 GLU QG 5.000 4.000 6.000 5.217 5.217 5.217 . 0 0 "[ ]" 1
135 1 22 ALA MB 1 23 GLU H 2.500 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
136 1 22 ALA MB 1 24 ASP H 5.000 4.000 6.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
137 1 22 ALA MB 1 25 SER H 5.000 4.000 6.000 6.312 6.312 6.312 0.312 1 0 "[ ]" 1
138 1 22 ALA MB 1 26 GLY H 5.000 4.000 6.000 5.984 5.984 5.984 . 0 0 "[ ]" 1
139 1 22 ALA MB 1 31 GLY H 5.000 4.000 6.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
140 1 23 GLU H 1 24 ASP HA 5.000 4.000 6.000 5.163 5.163 5.163 . 0 0 "[ ]" 1
141 1 23 GLU H 1 24 ASP QB 5.000 4.000 6.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
142 1 23 GLU H 1 28 GLU QG 4.000 2.500 4.500 4.591 4.591 4.591 0.091 1 0 "[ ]" 1
143 1 23 GLU QB 1 25 SER H 5.000 4.000 6.000 5.044 5.044 5.044 . 0 0 "[ ]" 1
144 1 23 GLU QB 1 26 GLY H 5.000 4.000 6.000 5.054 5.054 5.054 . 0 0 "[ ]" 1
145 1 23 GLU QB 1 28 GLU H 2.500 . 3.500 3.276 3.276 3.276 . 0 0 "[ ]" 1
146 1 24 ASP H 1 27 ASN HA 2.500 . 3.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
147 1 24 ASP H 1 24 ASP HA 2.500 . 3.500 2.960 2.960 2.960 . 0 0 "[ ]" 1
148 1 24 ASP H 1 24 ASP QB 2.500 . 3.500 2.344 2.344 2.344 . 0 0 "[ ]" 1
149 1 24 ASP HA 1 26 GLY H 5.000 4.000 6.000 3.923 3.923 3.923 0.077 1 0 "[ ]" 1
150 1 24 ASP HA 1 28 GLU H 2.500 . 3.500 3.028 3.028 3.028 . 0 0 "[ ]" 1
151 1 24 ASP QB 1 25 SER H 4.000 2.500 4.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
152 1 24 ASP QB 1 26 GLY H 5.000 4.000 6.000 4.889 4.889 4.889 . 0 0 "[ ]" 1
153 1 24 ASP QB 1 29 SER H 5.000 4.000 6.000 3.982 3.982 3.982 0.018 1 0 "[ ]" 1
154 1 25 SER H 1 25 SER HA 2.500 . 3.500 2.800 2.800 2.800 . 0 0 "[ ]" 1
155 1 25 SER H 1 26 GLY H 2.500 . 3.500 1.978 1.978 1.978 . 0 0 "[ ]" 1
156 1 25 SER H 1 28 GLU QG 5.000 4.000 6.000 5.699 5.699 5.699 . 0 0 "[ ]" 1
157 1 25 SER HA 1 30 GLU H 2.500 . 3.500 2.449 2.449 2.449 . 0 0 "[ ]" 1
158 1 25 SER HA 1 26 GLY H 2.500 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
159 1 25 SER HA 1 29 SER H 2.500 . 3.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
160 1 25 SER QB 1 26 GLY H 2.500 . 3.500 2.156 2.156 2.156 . 0 0 "[ ]" 1
161 1 25 SER QB 1 28 GLU H 4.000 2.500 4.500 2.684 2.684 2.684 . 0 0 "[ ]" 1
162 1 25 SER QB 1 30 GLU H 2.500 . 3.500 3.761 3.761 3.761 0.261 1 0 "[ ]" 1
163 1 26 GLY H 1 28 GLU QG 5.000 4.000 6.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
164 1 27 ASN H 1 27 ASN HA 2.500 . 3.500 2.957 2.957 2.957 . 0 0 "[ ]" 1
165 1 27 ASN H 1 27 ASN QB 2.500 . 3.500 2.747 2.747 2.747 . 0 0 "[ ]" 1
166 1 27 ASN QB 1 28 GLU H 4.000 2.500 4.500 4.002 4.002 4.002 . 0 0 "[ ]" 1
167 1 27 ASN QB 1 30 GLU H 5.000 4.000 6.000 5.984 5.984 5.984 . 0 0 "[ ]" 1
168 1 28 GLU H 1 28 GLU HA 2.500 . 3.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
169 1 28 GLU H 1 28 GLU HB2 2.500 . 3.500 3.462 3.462 3.462 . 0 0 "[ ]" 1
170 1 28 GLU H 1 28 GLU QG 2.500 . 3.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
171 1 28 GLU H 1 33 ILE MD 5.000 4.000 6.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
172 1 28 GLU QB 1 29 SER H 2.500 . 3.500 2.116 2.116 2.116 . 0 0 "[ ]" 1
173 1 28 GLU QB 1 30 GLU H 2.500 . 3.500 2.336 2.336 2.336 . 0 0 "[ ]" 1
174 1 28 GLU QB 1 32 GLU H 2.500 . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1
175 1 28 GLU QG 1 29 SER H 4.000 2.500 4.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
176 1 28 GLU QG 1 30 GLU H 4.000 2.500 4.500 2.355 2.355 2.355 0.145 1 0 "[ ]" 1
177 1 28 GLU QG 1 31 GLY H 5.000 4.000 6.000 3.868 3.868 3.868 0.132 1 0 "[ ]" 1
178 1 28 GLU QG 1 32 GLU H 4.000 2.500 4.500 2.519 2.519 2.519 . 0 0 "[ ]" 1
179 1 29 SER H 1 30 GLU H 2.500 . 3.500 2.585 2.585 2.585 . 0 0 "[ ]" 1
180 1 29 SER H 1 30 GLU HA 5.000 4.000 6.000 4.801 4.801 4.801 . 0 0 "[ ]" 1
181 1 29 SER H 1 33 ILE MD 5.000 4.000 6.000 4.096 4.096 4.096 . 0 0 "[ ]" 1
182 1 29 SER H 1 33 ILE QG 5.000 4.000 6.000 5.797 5.797 5.797 . 0 0 "[ ]" 1
183 1 29 SER HA 1 31 GLY H 5.000 4.000 6.000 3.682 3.682 3.682 0.318 1 0 "[ ]" 1
184 1 29 SER QB 1 31 GLY H 2.500 . 3.500 2.178 2.178 2.178 . 0 0 "[ ]" 1
185 1 29 SER QB 1 32 GLU H 2.500 . 3.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
186 1 29 SER QB 1 33 ILE H 5.000 4.000 6.000 3.771 3.771 3.771 0.229 1 0 "[ ]" 1
187 1 29 SER QB 1 32 GLU H 2.500 . 3.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
188 1 30 GLU H 1 30 GLU HA 2.500 . 3.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
189 1 30 GLU H 1 33 ILE MD 5.000 4.000 6.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
190 1 30 GLU H 1 33 ILE QG 5.000 4.000 6.000 5.402 5.402 5.402 . 0 0 "[ ]" 1
191 1 30 GLU H 1 35 ALA MB 5.000 4.000 6.000 6.401 6.401 6.401 0.401 1 0 "[ ]" 1
192 1 30 GLU HA 1 31 GLY H 4.000 2.500 4.500 3.544 3.544 3.544 . 0 0 "[ ]" 1
193 1 30 GLU HA 1 32 GLU H 2.500 . 3.500 2.851 2.851 2.851 . 0 0 "[ ]" 1
194 1 30 GLU HA 1 33 ILE H 4.000 2.500 4.500 2.920 2.920 2.920 . 0 0 "[ ]" 1
195 1 30 GLU QB 1 31 GLY H 2.500 . 3.500 2.464 2.464 2.464 . 0 0 "[ ]" 1
196 1 30 GLU QG 1 33 ILE H 5.000 4.000 6.000 3.950 3.950 3.950 0.050 1 0 "[ ]" 1
197 1 30 GLU QG 1 34 SER H 5.000 4.000 6.000 3.790 3.790 3.790 0.210 1 0 "[ ]" 1
198 1 30 GLU QG 1 34 SER H 5.000 4.000 6.000 3.793 3.793 3.793 0.207 1 0 "[ ]" 1
199 1 31 GLY H 1 32 GLU H 2.500 . 3.500 2.854 2.854 2.854 . 0 0 "[ ]" 1
200 1 31 GLY H 1 32 GLU H 2.500 . 3.500 2.812 2.812 2.812 . 0 0 "[ ]" 1
201 1 31 GLY H 1 33 ILE H 5.000 4.000 6.000 4.245 4.245 4.245 . 0 0 "[ ]" 1
202 1 31 GLY H 1 33 ILE MD 5.000 4.000 6.000 5.517 5.517 5.517 . 0 0 "[ ]" 1
203 1 31 GLY H 1 33 ILE MG 5.000 4.000 6.000 6.282 6.282 6.282 0.282 1 0 "[ ]" 1
204 1 32 GLU H 1 33 ILE MD 4.000 2.500 4.500 4.640 4.640 4.640 0.140 1 0 "[ ]" 1
205 1 32 GLU H 1 33 ILE MG 5.000 4.000 6.000 5.536 5.536 5.536 . 0 0 "[ ]" 1
206 1 32 GLU HA 1 35 ALA H 2.500 . 3.500 2.751 2.751 2.751 . 0 0 "[ ]" 1
207 1 32 GLU QB 1 33 ILE H 4.000 2.500 4.500 2.586 2.586 2.586 . 0 0 "[ ]" 1
208 1 32 GLU QB 1 34 SER H 5.000 4.000 6.000 4.859 4.859 4.859 . 0 0 "[ ]" 1
209 1 32 GLU QB 1 35 ALA H 5.000 4.000 6.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
210 1 32 GLU QB 1 36 LEU H 4.000 2.500 4.500 4.339 4.339 4.339 . 0 0 "[ ]" 1
211 1 33 ILE H 1 33 ILE HA 2.500 . 3.500 2.874 2.874 2.874 . 0 0 "[ ]" 1
212 1 33 ILE H 1 33 ILE HB 2.500 . 3.500 2.221 2.221 2.221 . 0 0 "[ ]" 1
213 1 33 ILE H 1 33 ILE HG12 4.000 2.500 4.500 3.762 3.762 3.762 . 0 0 "[ ]" 1
214 1 33 ILE H 1 33 ILE HG13 2.500 . 3.500 2.421 2.421 2.421 . 0 0 "[ ]" 1
215 1 33 ILE H 1 34 SER H 4.000 2.500 4.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
216 1 33 ILE HA 1 36 LEU H 4.000 2.500 4.500 3.854 3.854 3.854 . 0 0 "[ ]" 1
217 1 33 ILE HB 1 34 SER H 2.500 . 3.500 2.162 2.162 2.162 . 0 0 "[ ]" 1
218 1 33 ILE HB 1 35 ALA H 5.000 4.000 6.000 4.757 4.757 4.757 . 0 0 "[ ]" 1
219 1 33 ILE MD 1 34 SER H 2.500 . 3.500 2.553 2.553 2.553 . 0 0 "[ ]" 1
220 1 33 ILE MD 1 36 LEU H 2.500 . 3.500 3.668 3.668 3.668 0.168 1 0 "[ ]" 1
221 1 33 ILE QG 1 34 SER H 5.000 4.000 6.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
222 1 34 SER H 1 35 ALA H 2.500 . 3.500 2.801 2.801 2.801 . 0 0 "[ ]" 1
223 1 34 SER H 1 35 ALA MB 5.000 4.000 6.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
224 1 34 SER HA 1 36 LEU H 2.500 . 3.500 2.762 2.762 2.762 . 0 0 "[ ]" 1
225 1 35 ALA H 1 35 ALA MB 2.500 . 3.500 1.983 1.983 1.983 . 0 0 "[ ]" 1
226 1 35 ALA MB 1 36 LEU H 2.500 . 3.500 3.073 3.073 3.073 . 0 0 "[ ]" 1
227 1 35 ALA MB 1 39 LEU H 5.000 4.000 6.000 5.068 5.068 5.068 . 0 0 "[ ]" 1
228 1 36 LEU H 1 36 LEU QB 2.500 . 3.500 2.290 2.290 2.290 . 0 0 "[ ]" 1
229 1 36 LEU H 1 36 LEU QB 4.000 2.500 4.500 2.283 2.283 2.283 0.217 1 0 "[ ]" 1
230 1 36 LEU HA 1 39 LEU H 4.000 2.500 4.500 3.644 3.644 3.644 . 0 0 "[ ]" 1
231 1 37 VAL HB 1 39 LEU H 4.000 2.500 4.500 4.342 4.342 4.342 . 0 0 "[ ]" 1
232 1 37 VAL HB 1 40 GLY H 5.000 4.000 6.000 4.247 4.247 4.247 . 0 0 "[ ]" 1
233 1 37 VAL HB 1 41 VAL H 2.500 . 3.500 2.366 2.366 2.366 . 0 0 "[ ]" 1
234 1 38 GLU HA 1 40 GLY H 4.000 2.500 4.500 3.362 3.362 3.362 . 0 0 "[ ]" 1
235 1 38 GLU HA 1 41 VAL H 4.000 2.500 4.500 3.250 3.250 3.250 . 0 0 "[ ]" 1
236 1 38 GLU QB 1 39 LEU H 4.000 2.500 4.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
237 1 38 GLU QG 1 39 LEU H 5.000 4.000 6.000 3.958 3.958 3.958 0.042 1 0 "[ ]" 1
238 1 38 GLU QG 1 40 GLY H 5.000 4.000 6.000 4.841 4.841 4.841 . 0 0 "[ ]" 1
239 1 38 GLU QG 1 41 VAL H 5.000 4.000 6.000 4.115 4.115 4.115 . 0 0 "[ ]" 1
240 1 39 LEU H 1 39 LEU HA 2.500 . 3.500 2.778 2.778 2.778 . 0 0 "[ ]" 1
241 1 39 LEU H 1 39 LEU QB 2.500 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
242 1 39 LEU H 1 39 LEU QD 4.000 2.500 4.500 3.666 3.666 3.666 . 0 0 "[ ]" 1
243 1 39 LEU H 1 40 GLY QA 5.000 4.000 6.000 4.630 4.630 4.630 . 0 0 "[ ]" 1
244 1 39 LEU QB 1 40 GLY H 2.500 . 3.500 2.653 2.653 2.653 . 0 0 "[ ]" 1
245 1 39 LEU QD 1 40 GLY H 4.000 2.500 4.500 3.877 3.877 3.877 . 0 0 "[ ]" 1
246 1 39 LEU QD 1 43 LEU H 4.000 2.500 4.500 2.364 2.364 2.364 0.136 1 0 "[ ]" 1
247 1 40 GLY H 1 40 GLY QA 2.500 . 3.500 2.188 2.188 2.188 . 0 0 "[ ]" 1
248 1 40 GLY H 1 41 VAL MG2 5.000 4.000 6.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
249 1 40 GLY H 1 43 LEU QB 5.000 4.000 6.000 5.734 5.734 5.734 . 0 0 "[ ]" 1
250 1 40 GLY QA 1 41 VAL H 2.500 . 3.500 2.461 2.461 2.461 . 0 0 "[ ]" 1
251 1 40 GLY QA 1 43 LEU H 5.000 4.000 6.000 3.637 3.637 3.637 0.363 1 0 "[ ]" 1
252 1 41 VAL H 1 41 VAL MG1 2.500 . 3.500 3.724 3.724 3.724 0.224 1 0 "[ ]" 1
253 1 41 VAL H 1 41 VAL MG2 4.000 2.500 4.500 2.337 2.337 2.337 0.163 1 0 "[ ]" 1
254 1 41 VAL H 1 42 GLU H 2.500 . 3.500 2.545 2.545 2.545 . 0 0 "[ ]" 1
255 1 41 VAL HA 1 42 GLU H 4.000 2.500 4.500 3.573 3.573 3.573 . 0 0 "[ ]" 1
256 1 41 VAL HA 1 46 HIS H 5.000 4.000 6.000 6.064 6.064 6.064 0.064 1 0 "[ ]" 1
257 1 41 VAL HB 1 42 GLU H 2.500 . 3.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
258 1 41 VAL HB 1 43 LEU H 4.000 2.500 4.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
259 1 41 VAL QG 1 45 HIS H 5.000 4.000 6.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
260 1 41 VAL MG1 1 42 GLU H 4.000 2.500 4.500 3.160 3.160 3.160 . 0 0 "[ ]" 1
261 1 41 VAL MG2 1 42 GLU H 4.000 2.500 4.500 3.990 3.990 3.990 . 0 0 "[ ]" 1
262 1 41 VAL MG2 1 44 GLY H 5.000 4.000 6.000 5.282 5.282 5.282 . 0 0 "[ ]" 1
263 1 42 GLU H 1 42 GLU HA 4.000 2.500 4.500 2.787 2.787 2.787 . 0 0 "[ ]" 1
264 1 42 GLU H 1 42 GLU QG 2.500 . 3.500 2.136 2.136 2.136 . 0 0 "[ ]" 1
265 1 42 GLU H 1 43 LEU H 5.000 4.000 6.000 3.010 3.010 3.010 0.990 1 1 [+] 1
266 1 42 GLU HA 1 44 GLY H 4.000 2.500 4.500 3.096 3.096 3.096 . 0 0 "[ ]" 1
267 1 42 GLU HA 1 45 HIS H 5.000 4.000 6.000 4.785 4.785 4.785 . 0 0 "[ ]" 1
268 1 42 GLU HA 1 46 HIS H 5.000 4.000 6.000 6.071 6.071 6.071 0.071 1 0 "[ ]" 1
269 1 42 GLU QB 1 43 LEU H 2.500 . 3.500 2.506 2.506 2.506 . 0 0 "[ ]" 1
270 1 42 GLU QB 1 44 GLY H 5.000 4.000 6.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
271 1 42 GLU QB 1 45 HIS H 5.000 4.000 6.000 5.788 5.788 5.788 . 0 0 "[ ]" 1
272 1 42 GLU QG 1 43 LEU H 5.000 4.000 6.000 4.279 4.279 4.279 . 0 0 "[ ]" 1
273 1 42 GLU QG 1 44 GLY H 5.000 4.000 6.000 5.397 5.397 5.397 . 0 0 "[ ]" 1
274 1 43 LEU H 1 43 LEU HB2 2.500 . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
275 1 43 LEU H 1 43 LEU QB 4.000 2.500 4.500 2.317 2.317 2.317 0.183 1 0 "[ ]" 1
276 1 43 LEU H 1 44 GLY H 2.500 . 3.500 2.532 2.532 2.532 . 0 0 "[ ]" 1
277 1 43 LEU H 1 44 GLY QA 5.000 4.000 6.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
278 1 43 LEU QB 1 44 GLY H 5.000 4.000 6.000 3.539 3.539 3.539 0.461 1 0 "[ ]" 1
279 1 43 LEU QB 1 45 HIS H 5.000 4.000 6.000 3.954 3.954 3.954 0.046 1 0 "[ ]" 1
280 1 43 LEU QB 1 47 ALA H 5.000 4.000 6.000 5.994 5.994 5.994 . 0 0 "[ ]" 1
281 1 43 LEU QB 1 47 ALA H 5.000 4.000 6.000 5.415 5.415 5.415 . 0 0 "[ ]" 1
282 1 43 LEU QB 1 49 TRP H 4.000 2.500 4.500 4.166 4.166 4.166 . 0 0 "[ ]" 1
283 1 43 LEU HB2 1 44 GLY H 4.000 2.500 4.500 3.843 3.843 3.843 . 0 0 "[ ]" 1
284 1 43 LEU HB2 1 45 HIS H 5.000 4.000 6.000 4.252 4.252 4.252 . 0 0 "[ ]" 1
285 1 43 LEU QD 1 44 GLY H 4.000 2.500 4.500 3.963 3.963 3.963 . 0 0 "[ ]" 1
286 1 44 GLY H 1 44 GLY QA 2.500 . 3.500 2.234 2.234 2.234 . 0 0 "[ ]" 1
287 1 44 GLY H 1 45 HIS HA 5.000 4.000 6.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
288 1 44 GLY QA 1 45 HIS H 2.500 . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
289 1 44 GLY QA 1 46 HIS H 5.000 4.000 6.000 4.970 4.970 4.970 . 0 0 "[ ]" 1
290 1 44 GLY QA 1 47 ALA H 5.000 4.000 6.000 6.251 6.251 6.251 0.251 1 0 "[ ]" 1
291 1 45 HIS H 1 45 HIS HA 2.500 . 3.500 2.299 2.299 2.299 . 0 0 "[ ]" 1
292 1 45 HIS H 1 45 HIS QB 2.500 . 3.500 3.155 3.155 3.155 . 0 0 "[ ]" 1
293 1 45 HIS H 1 45 HIS QB 4.000 2.500 4.500 3.157 3.157 3.157 . 0 0 "[ ]" 1
294 1 45 HIS H 1 49 TRP H 5.000 4.000 6.000 6.273 6.273 6.273 0.273 1 0 "[ ]" 1
295 1 45 HIS H 1 49 TRP H 4.000 2.500 4.500 2.327 2.327 2.327 0.173 1 0 "[ ]" 1
296 1 45 HIS HA 1 46 HIS H 2.500 . 3.500 2.193 2.193 2.193 . 0 0 "[ ]" 1
297 1 45 HIS HA 1 47 ALA H 2.500 . 3.500 2.920 2.920 2.920 . 0 0 "[ ]" 1
298 1 45 HIS QB 1 46 HIS H 2.500 . 3.500 2.234 2.234 2.234 . 0 0 "[ ]" 1
299 1 45 HIS QB 1 49 TRP H 2.500 . 3.500 2.196 2.196 2.196 . 0 0 "[ ]" 1
300 1 45 HIS QB 1 50 ASP H 2.500 . 3.500 2.248 2.248 2.248 . 0 0 "[ ]" 1
301 1 45 HIS QB 1 54 LEU H 5.000 4.000 6.000 5.222 5.222 5.222 . 0 0 "[ ]" 1
302 1 46 HIS H 1 46 HIS HB3 2.500 . 3.500 2.821 2.821 2.821 . 0 0 "[ ]" 1
303 1 46 HIS H 1 47 ALA MB 5.000 4.000 6.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
304 1 46 HIS H 1 49 TRP H 5.000 4.000 6.000 6.046 6.046 6.046 0.046 1 0 "[ ]" 1
305 1 46 HIS HA 1 49 TRP H 2.500 . 3.500 2.966 2.966 2.966 . 0 0 "[ ]" 1
306 1 46 HIS QB 1 47 ALA H 4.000 2.500 4.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
307 1 46 HIS HB2 1 47 ALA H 4.000 2.500 4.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
308 1 47 ALA H 1 47 ALA HA 4.000 2.500 4.500 2.926 2.926 2.926 . 0 0 "[ ]" 1
309 1 47 ALA H 1 47 ALA MB 2.500 . 3.500 2.268 2.268 2.268 . 0 0 "[ ]" 1
310 1 47 ALA H 1 48 PRO HD2 5.000 4.000 6.000 4.723 4.723 4.723 . 0 0 "[ ]" 1
311 1 47 ALA H 1 49 TRP H 5.000 4.000 6.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
312 1 47 ALA H 1 50 ASP HB2 5.000 4.000 6.000 5.811 5.811 5.811 . 0 0 "[ ]" 1
313 1 47 ALA HA 1 49 TRP H 2.500 . 3.500 3.003 3.003 3.003 . 0 0 "[ ]" 1
314 1 47 ALA HA 1 50 ASP H 5.000 4.000 6.000 3.709 3.709 3.709 0.291 1 0 "[ ]" 1
315 1 47 ALA MB 1 49 TRP H 4.000 2.500 4.500 3.112 3.112 3.112 . 0 0 "[ ]" 1
316 1 48 PRO QB 1 49 TRP H 4.000 2.500 4.500 4.089 4.089 4.089 . 0 0 "[ ]" 1
317 1 48 PRO QB 1 50 ASP H 5.000 4.000 6.000 5.090 5.090 5.090 . 0 0 "[ ]" 1
318 1 48 PRO HD2 1 49 TRP H 5.000 4.000 6.000 4.117 4.117 4.117 . 0 0 "[ ]" 1
319 1 49 TRP H 1 50 ASP H 2.500 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
320 1 49 TRP H 1 50 ASP HB2 5.000 4.000 6.000 4.352 4.352 4.352 . 0 0 "[ ]" 1
321 1 49 TRP HA 1 50 ASP H 2.500 . 3.500 2.657 2.657 2.657 . 0 0 "[ ]" 1
322 1 49 TRP HA 1 53 ASP H 2.500 . 3.500 2.243 2.243 2.243 . 0 0 "[ ]" 1
323 1 49 TRP HA 1 54 LEU H 2.500 . 3.500 2.822 2.822 2.822 . 0 0 "[ ]" 1
324 1 50 ASP H 1 50 ASP HB2 2.500 . 3.500 2.382 2.382 2.382 . 0 0 "[ ]" 1
325 1 50 ASP H 1 50 ASP HB3 2.500 . 3.500 2.673 2.673 2.673 . 0 0 "[ ]" 1
326 1 50 ASP HA 1 51 VAL H 2.500 . 3.500 3.210 3.210 3.210 . 0 0 "[ ]" 1
327 1 50 ASP QB 1 52 ASP H 2.500 . 3.500 2.264 2.264 2.264 . 0 0 "[ ]" 1
328 1 50 ASP QB 1 54 LEU H 4.000 2.500 4.500 1.921 1.921 1.921 0.579 1 1 [+] 1
329 1 50 ASP HB2 1 51 VAL H 4.000 2.500 4.500 4.272 4.272 4.272 . 0 0 "[ ]" 1
330 1 51 VAL H 1 51 VAL HB 2.500 . 3.500 3.706 3.706 3.706 0.206 1 0 "[ ]" 1
331 1 51 VAL H 1 51 VAL QG 2.500 . 3.500 2.670 2.670 2.670 . 0 0 "[ ]" 1
332 1 51 VAL H 1 52 ASP H 2.500 . 3.500 3.429 3.429 3.429 . 0 0 "[ ]" 1
333 1 51 VAL HA 1 54 LEU H 5.000 4.000 6.000 6.082 6.082 6.082 0.082 1 0 "[ ]" 1
334 1 51 VAL QG 1 53 ASP H 5.000 4.000 6.000 4.102 4.102 4.102 . 0 0 "[ ]" 1
335 1 52 ASP H 1 52 ASP HA 2.500 . 3.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
336 1 52 ASP QB 1 53 ASP H 2.500 . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
337 1 53 ASP H 1 54 LEU H 2.500 . 3.500 2.684 2.684 2.684 . 0 0 "[ ]" 1
338 1 53 ASP H 1 54 LEU QB 5.000 4.000 6.000 4.933 4.933 4.933 . 0 0 "[ ]" 1
339 1 54 LEU H 1 54 LEU HA 2.500 . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
340 1 54 LEU H 1 54 LEU QB 2.500 . 3.500 2.893 2.893 2.893 . 0 0 "[ ]" 1
341 1 54 LEU H 1 54 LEU QD 4.000 2.500 4.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
stop_
save_