NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401707 |
1w2q   |
5871 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w2q
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 328
_Distance_constraint_stats_list.Viol_count 610
_Distance_constraint_stats_list.Viol_total 399.187
_Distance_constraint_stats_list.Viol_max 0.872
_Distance_constraint_stats_list.Viol_rms 0.0412
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0467
_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 15 SER 0.013 0.008 3 0 "[ . 1 ]"
1 16 CYS 0.018 0.008 3 0 "[ . 1 ]"
1 17 GLU 0.028 0.015 9 0 "[ . 1 ]"
1 18 ARG 0.201 0.074 14 0 "[ . 1 ]"
1 19 GLN 0.085 0.018 11 0 "[ . 1 ]"
1 20 VAL 0.090 0.018 11 0 "[ . 1 ]"
1 21 ASP 0.227 0.074 14 0 "[ . 1 ]"
1 22 ARG 0.058 0.015 5 0 "[ . 1 ]"
1 23 VAL 8.682 0.872 11 5 "[-* *. * 1+ ]"
1 24 ASN 0.412 0.072 7 0 "[ . 1 ]"
1 25 LEU 0.105 0.019 9 0 "[ . 1 ]"
1 26 LYS 0.462 0.357 4 0 "[ . 1 ]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 28 CYS 0.090 0.012 4 0 "[ . 1 ]"
1 29 GLU 0.409 0.357 4 0 "[ . 1 ]"
1 30 GLN 0.043 0.011 5 0 "[ . 1 ]"
1 31 HIS 1.466 0.230 12 0 "[ . 1 ]"
1 32 ILE 2.479 0.230 12 0 "[ . 1 ]"
1 33 MET 0.104 0.020 9 0 "[ . 1 ]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 35 ARG 0.253 0.038 5 0 "[ . 1 ]"
1 36 ILE 0.143 0.042 6 0 "[ . 1 ]"
1 37 MET 0.296 0.062 6 0 "[ . 1 ]"
1 38 GLY 0.186 0.062 6 0 "[ . 1 ]"
1 39 GLU 0.009 0.007 1 0 "[ . 1 ]"
1 40 GLN 0.009 0.007 1 0 "[ . 1 ]"
1 53 SER 0.000 0.000 . 0 "[ . 1 ]"
1 55 ASP 0.026 0.011 6 0 "[ . 1 ]"
1 56 GLN 0.026 0.011 6 0 "[ . 1 ]"
1 57 GLN 0.081 0.031 7 0 "[ . 1 ]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 59 ARG 1.069 0.076 10 0 "[ . 1 ]"
1 60 CYS 1.365 0.076 10 0 "[ . 1 ]"
1 61 CYS 1.180 0.066 1 0 "[ . 1 ]"
1 62 ASP 1.943 0.066 1 0 "[ . 1 ]"
1 63 GLU 1.006 0.062 12 0 "[ . 1 ]"
1 64 LEU 0.090 0.025 12 0 "[ . 1 ]"
1 65 ASN 0.542 0.062 1 0 "[ . 1 ]"
1 66 GLU 0.569 0.062 1 0 "[ . 1 ]"
1 67 MET 0.534 0.073 7 0 "[ . 1 ]"
1 68 GLU 0.385 0.073 7 0 "[ . 1 ]"
1 69 ASN 0.021 0.008 6 0 "[ . 1 ]"
1 70 THR 0.079 0.018 5 0 "[ . 1 ]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 73 CYS 0.013 0.013 14 0 "[ . 1 ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 ]"
1 75 CYS 0.155 0.025 14 0 "[ . 1 ]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 77 ALA 8.295 0.872 11 5 "[-* *. * 1+ ]"
1 78 LEU 0.171 0.025 14 0 "[ . 1 ]"
1 79 GLN 0.730 0.062 5 0 "[ . 1 ]"
1 80 GLN 1.543 0.259 1 0 "[ . 1 ]"
1 81 ILE 0.147 0.026 10 0 "[ . 1 ]"
1 82 MET 1.115 0.077 14 0 "[ . 1 ]"
1 83 GLU 1.487 0.077 14 0 "[ . 1 ]"
1 84 ASN 0.082 0.052 13 0 "[ . 1 ]"
1 85 GLN 0.046 0.020 14 0 "[ . 1 ]"
1 86 CYS 0.539 0.091 12 0 "[ . 1 ]"
1 87 ASP 0.063 0.020 14 0 "[ . 1 ]"
1 88 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 89 LEU 2.739 0.718 12 3 "[ . * + -]"
1 90 GLN 0.054 0.027 9 0 "[ . 1 ]"
1 91 ASP 0.054 0.027 9 0 "[ . 1 ]"
1 94 MET 2.629 0.718 12 3 "[ . * + -]"
1 95 VAL 0.361 0.093 7 0 "[ . 1 ]"
1 96 GLN 1.127 0.071 12 0 "[ . 1 ]"
1 97 GLN 0.681 0.071 12 0 "[ . 1 ]"
1 98 PHE 2.040 0.091 12 0 "[ . 1 ]"
1 99 LYS 1.640 0.075 14 0 "[ . 1 ]"
1 100 ARG 0.795 0.054 1 0 "[ . 1 ]"
1 101 GLU 0.339 0.053 13 0 "[ . 1 ]"
1 102 LEU 0.431 0.059 13 0 "[ . 1 ]"
1 103 MET 0.379 0.052 13 0 "[ . 1 ]"
1 104 SER 0.008 0.008 9 0 "[ . 1 ]"
1 105 LEU 1.077 0.078 14 0 "[ . 1 ]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 107 GLN 0.869 0.073 5 0 "[ . 1 ]"
1 108 GLN 1.838 0.078 14 0 "[ . 1 ]"
1 109 CYS 0.166 0.060 11 0 "[ . 1 ]"
1 110 ASN 0.116 0.060 11 0 "[ . 1 ]"
1 111 PHE 0.157 0.072 9 0 "[ . 1 ]"
1 112 ARG 0.245 0.072 9 0 "[ . 1 ]"
1 113 ALA 0.089 0.034 14 0 "[ . 1 ]"
1 114 PRO 0.002 0.002 2 0 "[ . 1 ]"
1 115 GLN 0.002 0.002 2 0 "[ . 1 ]"
1 116 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 117 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 118 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 119 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 121 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 122 SER 0.000 0.000 . 0 "[ . 1 ]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 124 GLY 0.009 0.009 10 0 "[ . 1 ]"
1 125 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 126 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 127 SER 0.009 0.009 10 0 "[ . 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 19 GLN HA 1 22 ARG HB3 0.000 . 5.000 4.601 3.734 5.014 0.014 4 0 "[ . 1 ]" 1
2 1 19 GLN HA 1 22 ARG HB2 0.000 . 5.000 3.507 2.461 4.327 . 0 0 "[ . 1 ]" 1
3 1 26 LYS HA 1 29 GLU HB2 0.000 . 5.000 3.999 3.205 5.357 0.357 4 0 "[ . 1 ]" 1
4 1 32 ILE HA 1 35 ARG HB3 0.000 . 5.000 3.809 2.788 4.875 . 0 0 "[ . 1 ]" 1
5 1 32 ILE HA 1 35 ARG HB2 0.000 . 5.000 3.064 2.476 3.659 . 0 0 "[ . 1 ]" 1
6 1 77 ALA HA 1 80 GLN HB3 0.000 . 5.000 3.663 3.007 4.592 . 0 0 "[ . 1 ]" 1
7 1 82 MET HA 1 85 GLN QB 0.000 . 5.000 4.483 3.745 4.809 . 0 0 "[ . 1 ]" 1
8 1 83 GLU HA 1 86 CYS HB2 0.000 . 5.000 4.507 3.584 5.060 0.060 14 0 "[ . 1 ]" 1
9 1 83 GLU HA 1 86 CYS HB3 0.000 . 5.000 3.644 2.388 4.921 . 0 0 "[ . 1 ]" 1
10 1 95 VAL HA 1 98 PHE HB3 0.000 . 5.000 2.933 2.512 3.850 . 0 0 "[ . 1 ]" 1
11 1 98 PHE HA 1 101 GLU HB3 0.000 . 5.000 4.047 2.696 4.787 . 0 0 "[ . 1 ]" 1
12 1 100 ARG HA 1 103 MET HB3 0.000 . 5.000 4.479 4.165 4.870 . 0 0 "[ . 1 ]" 1
13 1 101 GLU HA 1 104 SER HB3 0.000 . 5.000 3.992 3.165 5.008 0.008 9 0 "[ . 1 ]" 1
14 1 15 SER HA 1 16 CYS H 0.000 . 3.500 2.853 2.192 3.508 0.008 3 0 "[ . 1 ]" 1
15 1 16 CYS HA 1 17 GLU H 0.000 . 5.000 3.528 3.482 3.588 . 0 0 "[ . 1 ]" 1
16 1 17 GLU HA 1 18 ARG H 0.000 . 5.000 3.530 3.459 3.580 . 0 0 "[ . 1 ]" 1
17 1 15 SER HA 1 18 ARG H 0.000 . 5.000 4.138 3.199 4.985 . 0 0 "[ . 1 ]" 1
18 1 18 ARG HA 1 19 GLN H 0.000 . 5.000 3.487 3.445 3.557 . 0 0 "[ . 1 ]" 1
19 1 19 GLN HA 1 20 VAL H 0.000 . 3.500 3.481 3.423 3.518 0.018 11 0 "[ . 1 ]" 1
20 1 18 ARG HA 1 20 VAL H 0.000 . 5.000 3.987 3.814 4.154 . 0 0 "[ . 1 ]" 1
21 1 20 VAL HA 1 21 ASP H 0.000 . 5.000 3.543 3.520 3.567 . 0 0 "[ . 1 ]" 1
22 1 21 ASP HA 1 22 ARG H 0.000 . 3.500 3.458 3.310 3.515 0.015 5 0 "[ . 1 ]" 1
23 1 20 VAL HA 1 22 ARG H 0.000 . 5.000 3.658 3.507 3.818 . 0 0 "[ . 1 ]" 1
24 1 19 GLN HA 1 22 ARG H 0.000 . 5.000 3.614 3.320 3.935 . 0 0 "[ . 1 ]" 1
25 1 22 ARG HA 1 23 VAL H 0.000 . 3.500 3.331 2.839 3.493 . 0 0 "[ . 1 ]" 1
26 1 20 VAL HA 1 23 VAL H 0.000 . 3.500 3.144 2.929 3.500 0.000 3 0 "[ . 1 ]" 1
27 1 21 ASP HA 1 23 VAL H 0.000 . 5.000 3.931 3.651 4.261 . 0 0 "[ . 1 ]" 1
28 1 23 VAL HA 1 24 ASN H 0.000 . 3.500 3.459 2.694 3.572 0.072 7 0 "[ . 1 ]" 1
29 1 25 LEU HA 1 28 CYS H 0.000 . 5.000 3.611 3.292 4.143 . 0 0 "[ . 1 ]" 1
30 1 27 PRO HA 1 28 CYS H 0.000 . 5.000 3.557 3.524 3.599 . 0 0 "[ . 1 ]" 1
31 1 26 LYS HA 1 29 GLU H 0.000 . 5.000 3.887 3.499 4.610 . 0 0 "[ . 1 ]" 1
32 1 27 PRO HA 1 30 GLN H 0.000 . 5.000 3.574 3.402 4.242 . 0 0 "[ . 1 ]" 1
33 1 29 GLU HA 1 30 GLN H 0.000 . 5.000 3.535 3.510 3.572 . 0 0 "[ . 1 ]" 1
34 1 32 ILE HA 1 33 MET H 0.000 . 5.000 3.562 3.525 3.581 . 0 0 "[ . 1 ]" 1
35 1 33 MET HA 1 34 GLN H 0.000 . 5.000 3.551 3.526 3.573 . 0 0 "[ . 1 ]" 1
36 1 33 MET HA 1 36 ILE H 0.000 . 5.000 3.855 3.303 4.223 . 0 0 "[ . 1 ]" 1
37 1 35 ARG HA 1 36 ILE H 0.000 . 5.000 3.579 3.545 3.588 . 0 0 "[ . 1 ]" 1
38 1 36 ILE HA 1 37 MET H 0.000 . 3.500 3.449 3.245 3.542 0.042 6 0 "[ . 1 ]" 1
39 1 37 MET HA 1 38 GLY H 0.000 . 3.500 3.458 3.143 3.562 0.062 6 0 "[ . 1 ]" 1
40 1 35 ARG HA 1 38 GLY H 0.000 . 5.000 3.757 3.046 4.605 . 0 0 "[ . 1 ]" 1
41 1 36 ILE HA 1 38 GLY H 0.000 . 5.000 3.901 3.363 4.914 . 0 0 "[ . 1 ]" 1
42 1 37 MET HA 1 40 GLN H 0.000 . 5.000 4.080 3.111 4.970 . 0 0 "[ . 1 ]" 1
43 1 39 GLU HA 1 40 GLN H 0.000 . 3.500 3.474 3.379 3.507 0.007 1 0 "[ . 1 ]" 1
44 1 53 SER HA 1 56 GLN H 0.000 . 5.000 3.805 3.262 4.841 . 0 0 "[ . 1 ]" 1
45 1 55 ASP HA 1 56 GLN H 0.000 . 3.500 3.484 3.432 3.511 0.011 6 0 "[ . 1 ]" 1
46 1 59 ARG HA 1 60 CYS H 0.000 . 3.500 3.549 3.510 3.576 0.076 10 0 "[ . 1 ]" 1
47 1 60 CYS HA 1 61 CYS H 0.000 . 3.500 3.535 3.509 3.561 0.061 9 0 "[ . 1 ]" 1
48 1 61 CYS HA 1 62 ASP H 0.000 . 3.500 3.548 3.529 3.566 0.066 1 0 "[ . 1 ]" 1
49 1 62 ASP HA 1 63 GLU H 0.000 . 3.500 3.534 3.521 3.547 0.047 14 0 "[ . 1 ]" 1
50 1 60 CYS HA 1 63 GLU H 0.000 . 3.500 3.498 3.433 3.520 0.020 4 0 "[ . 1 ]" 1
51 1 64 LEU HA 1 65 ASN H 0.000 . 3.500 3.385 3.310 3.429 . 0 0 "[ . 1 ]" 1
52 1 62 ASP HA 1 65 ASN H 0.000 . 3.500 3.529 3.510 3.553 0.053 14 0 "[ . 1 ]" 1
53 1 65 ASN HA 1 66 GLU H 0.000 . 3.500 3.501 3.385 3.562 0.062 1 0 "[ . 1 ]" 1
54 1 66 GLU HA 1 67 MET H 0.000 . 5.000 3.511 3.347 3.565 . 0 0 "[ . 1 ]" 1
55 1 64 LEU HA 1 67 MET H 0.000 . 5.000 3.776 3.127 4.829 . 0 0 "[ . 1 ]" 1
56 1 63 GLU HA 1 64 LEU H 0.000 . 5.000 3.574 3.564 3.581 . 0 0 "[ . 1 ]" 1
57 1 61 CYS HA 1 64 LEU H 0.000 . 3.500 3.275 3.117 3.485 . 0 0 "[ . 1 ]" 1
58 1 62 ASP HA 1 64 LEU H 0.000 . 5.000 4.689 4.586 4.794 . 0 0 "[ . 1 ]" 1
59 1 67 MET HA 1 68 GLU H 0.000 . 3.500 3.108 2.656 3.573 0.073 7 0 "[ . 1 ]" 1
60 1 68 GLU HA 1 69 ASN H 0.000 . 3.500 3.382 3.230 3.508 0.008 6 0 "[ . 1 ]" 1
61 1 69 ASN HA 1 70 THR H 0.000 . 3.500 3.104 2.543 3.501 0.001 3 0 "[ . 1 ]" 1
62 1 74 MET HA 1 77 ALA H 0.000 . 5.000 3.236 3.098 3.391 . 0 0 "[ . 1 ]" 1
63 1 76 GLU HA 1 77 ALA H 0.000 . 5.000 3.456 3.418 3.487 . 0 0 "[ . 1 ]" 1
64 1 77 ALA HA 1 78 LEU H 0.000 . 5.000 3.587 3.581 3.591 . 0 0 "[ . 1 ]" 1
65 1 78 LEU HA 1 79 GLN H 0.000 . 5.000 3.562 3.547 3.572 . 0 0 "[ . 1 ]" 1
66 1 81 ILE HA 1 82 MET H 0.000 . 5.000 3.590 3.582 3.594 . 0 0 "[ . 1 ]" 1
67 1 82 MET HA 1 83 GLU H 0.000 . 3.500 3.568 3.561 3.577 0.077 14 0 "[ . 1 ]" 1
68 1 83 GLU HA 1 84 ASN H 0.000 . 3.500 3.427 3.355 3.552 0.052 13 0 "[ . 1 ]" 1
69 1 84 ASN HA 1 85 GLN H 0.000 . 5.000 3.479 3.449 3.507 . 0 0 "[ . 1 ]" 1
70 1 85 GLN HA 1 86 CYS H 0.000 . 5.000 2.887 2.691 3.499 . 0 0 "[ . 1 ]" 1
71 1 86 CYS HA 1 87 ASP H 0.000 . 5.000 3.169 2.255 3.500 . 0 0 "[ . 1 ]" 1
72 1 95 VAL HA 1 96 GLN H 0.000 . 3.500 3.517 3.484 3.566 0.066 9 0 "[ . 1 ]" 1
73 1 96 GLN HA 1 97 GLN H 0.000 . 3.500 3.548 3.525 3.571 0.071 12 0 "[ . 1 ]" 1
74 1 97 GLN HA 1 98 PHE H 0.000 . 5.000 3.567 3.546 3.582 . 0 0 "[ . 1 ]" 1
75 1 98 PHE HA 1 99 LYS H 0.000 . 3.500 3.555 3.534 3.575 0.075 14 0 "[ . 1 ]" 1
76 1 99 LYS HA 1 100 ARG H 0.000 . 3.500 3.529 3.499 3.554 0.054 1 0 "[ . 1 ]" 1
77 1 101 GLU HA 1 102 LEU H 0.000 . 5.000 3.543 3.521 3.559 . 0 0 "[ . 1 ]" 1
78 1 102 LEU HA 1 103 MET H 0.000 . 5.000 3.530 3.466 3.577 . 0 0 "[ . 1 ]" 1
79 1 101 GLU HA 1 104 SER H 0.000 . 5.000 3.293 3.122 3.495 . 0 0 "[ . 1 ]" 1
80 1 103 MET HA 1 104 SER H 0.000 . 5.000 3.517 3.472 3.563 . 0 0 "[ . 1 ]" 1
81 1 104 SER HA 1 105 LEU H 0.000 . 5.000 3.515 3.476 3.540 . 0 0 "[ . 1 ]" 1
82 1 104 SER HA 1 107 GLN H 0.000 . 5.000 3.294 3.155 3.399 . 0 0 "[ . 1 ]" 1
83 1 106 PRO HA 1 107 GLN H 0.000 . 5.000 3.374 3.360 3.399 . 0 0 "[ . 1 ]" 1
84 1 105 LEU HA 1 108 GLN H 0.000 . 3.500 3.563 3.544 3.578 0.078 14 0 "[ . 1 ]" 1
85 1 107 GLN HA 1 108 GLN H 0.000 . 3.500 3.562 3.548 3.573 0.073 5 0 "[ . 1 ]" 1
86 1 106 PRO HA 1 108 GLN H 0.000 . 5.000 4.765 4.548 4.926 . 0 0 "[ . 1 ]" 1
87 1 106 PRO HA 1 109 CYS H 0.000 . 5.000 4.011 3.794 4.182 . 0 0 "[ . 1 ]" 1
88 1 108 GLN HA 1 109 CYS H 0.000 . 3.500 3.490 3.432 3.525 0.025 12 0 "[ . 1 ]" 1
89 1 109 CYS HA 1 110 ASN H 0.000 . 3.500 3.359 2.946 3.560 0.060 11 0 "[ . 1 ]" 1
90 1 107 GLN HA 1 110 ASN H 0.000 . 5.000 3.030 2.597 4.946 . 0 0 "[ . 1 ]" 1
91 1 112 ARG HA 1 113 ALA H 0.000 . 3.500 2.809 2.192 3.534 0.034 14 0 "[ . 1 ]" 1
92 1 115 GLN HA 1 116 ARG H 0.000 . 5.000 2.929 2.209 3.588 . 0 0 "[ . 1 ]" 1
93 1 114 PRO HA 1 115 GLN H 0.000 . 3.500 2.870 2.200 3.502 0.002 2 0 "[ . 1 ]" 1
94 1 111 PHE HA 1 112 ARG H 0.000 . 3.500 3.189 2.628 3.572 0.072 9 0 "[ . 1 ]" 1
95 1 110 ASN HA 1 111 PHE H 0.000 . 3.500 2.920 2.739 3.233 . 0 0 "[ . 1 ]" 1
96 1 116 ARG HA 1 117 CYS H 0.000 . 5.000 2.683 2.219 3.552 . 0 0 "[ . 1 ]" 1
97 1 117 CYS HA 1 118 ASP H 0.000 . 5.000 2.696 2.224 3.587 . 0 0 "[ . 1 ]" 1
98 1 118 ASP HA 1 119 LEU H 0.000 . 5.000 2.699 2.196 3.495 . 0 0 "[ . 1 ]" 1
99 1 119 LEU HA 1 120 ASP H 0.000 . 5.000 2.877 2.189 3.567 . 0 0 "[ . 1 ]" 1
100 1 120 ASP HA 1 121 VAL H 0.000 . 5.000 3.245 2.749 3.561 . 0 0 "[ . 1 ]" 1
101 1 121 VAL HA 1 122 SER H 0.000 . 5.000 3.336 2.237 3.573 . 0 0 "[ . 1 ]" 1
102 1 122 SER HA 1 123 GLY H 0.000 . 5.000 2.581 2.259 3.551 . 0 0 "[ . 1 ]" 1
103 1 124 GLY HA2 1 125 ARG H 0.000 . 5.000 2.805 2.200 3.562 . 0 0 "[ . 1 ]" 1
104 1 124 GLY HA3 1 125 ARG H 0.000 . 5.000 2.810 2.199 3.547 . 0 0 "[ . 1 ]" 1
105 1 125 ARG HA 1 126 CYS H 0.000 . 5.000 3.459 2.244 3.588 . 0 0 "[ . 1 ]" 1
106 1 124 GLY HA3 1 127 SER H 0.000 . 5.000 4.345 3.324 4.959 . 0 0 "[ . 1 ]" 1
107 1 124 GLY HA2 1 127 SER H 0.000 . 5.000 4.080 3.273 5.009 0.009 10 0 "[ . 1 ]" 1
108 1 17 GLU HA 1 20 VAL HB 0.000 . 3.500 3.369 2.696 3.515 0.015 9 0 "[ . 1 ]" 1
109 1 16 CYS HA 1 19 GLN H 0.000 . 3.500 3.343 3.070 3.504 0.004 5 0 "[ . 1 ]" 1
110 1 17 GLU HA 1 20 VAL H 0.000 . 3.500 3.283 3.130 3.488 . 0 0 "[ . 1 ]" 1
111 1 18 ARG HA 1 21 ASP H 0.000 . 3.500 3.511 3.478 3.574 0.074 14 0 "[ . 1 ]" 1
112 1 29 GLU HA 1 32 ILE H 0.000 . 3.500 3.347 3.102 3.500 . 0 0 "[ . 1 ]" 1
113 1 30 GLN HA 1 33 MET H 0.000 . 3.500 3.412 3.226 3.511 0.011 5 0 "[ . 1 ]" 1
114 1 31 HIS HA 1 34 GLN H 0.000 . 5.000 3.889 3.418 4.397 . 0 0 "[ . 1 ]" 1
115 1 32 ILE HA 1 35 ARG H 0.000 . 3.500 3.493 3.329 3.538 0.038 5 0 "[ . 1 ]" 1
116 1 55 ASP HA 1 58 GLN H 0.000 . 5.000 3.501 3.295 3.645 . 0 0 "[ . 1 ]" 1
117 1 56 GLN HA 1 59 ARG H 0.000 . 5.000 3.553 3.150 3.797 . 0 0 "[ . 1 ]" 1
118 1 57 GLN HA 1 60 CYS H 0.000 . 3.500 3.480 3.365 3.531 0.031 7 0 "[ . 1 ]" 1
119 1 59 ARG HA 1 62 ASP H 0.000 . 3.500 3.528 3.509 3.566 0.066 4 0 "[ . 1 ]" 1
120 1 63 GLU HA 1 66 GLU H 0.000 . 3.500 3.531 3.497 3.562 0.062 12 0 "[ . 1 ]" 1
121 1 75 CYS HA 1 78 LEU H 0.000 . 3.500 3.509 3.485 3.525 0.025 14 0 "[ . 1 ]" 1
122 1 76 GLU HA 1 79 GLN H 0.000 . 5.000 3.718 3.541 3.926 . 0 0 "[ . 1 ]" 1
123 1 77 ALA HA 1 80 GLN H 0.000 . 3.500 3.521 3.512 3.541 0.041 14 0 "[ . 1 ]" 1
124 1 78 LEU HA 1 81 ILE H 0.000 . 3.500 3.388 3.288 3.473 . 0 0 "[ . 1 ]" 1
125 1 79 GLN HA 1 82 MET H 0.000 . 5.000 3.757 3.504 4.133 . 0 0 "[ . 1 ]" 1
126 1 80 GLN HA 1 83 GLU H 0.000 . 3.500 3.516 3.490 3.546 0.046 14 0 "[ . 1 ]" 1
127 1 79 GLN HA 1 80 GLN H 0.000 . 3.500 3.552 3.535 3.562 0.062 5 0 "[ . 1 ]" 1
128 1 81 ILE HA 1 84 ASN H 0.000 . 3.500 3.264 3.184 3.328 . 0 0 "[ . 1 ]" 1
129 1 82 MET HA 1 85 GLN H 0.000 . 5.000 3.585 3.447 3.909 . 0 0 "[ . 1 ]" 1
130 1 83 GLU HA 1 86 CYS H 0.000 . 3.500 3.342 2.592 3.523 0.023 9 0 "[ . 1 ]" 1
131 1 96 GLN HA 1 99 LYS H 0.000 . 3.500 3.513 3.496 3.534 0.034 14 0 "[ . 1 ]" 1
132 1 97 GLN HA 1 100 ARG H 0.000 . 3.500 3.360 3.180 3.508 0.008 3 0 "[ . 1 ]" 1
133 1 98 PHE HA 1 101 GLU H 0.000 . 3.500 3.524 3.507 3.553 0.053 13 0 "[ . 1 ]" 1
134 1 99 LYS HA 1 102 LEU H 0.000 . 3.500 3.517 3.481 3.556 0.056 8 0 "[ . 1 ]" 1
135 1 100 ARG HA 1 103 MET H 0.000 . 3.500 3.526 3.483 3.552 0.052 13 0 "[ . 1 ]" 1
136 1 18 ARG H 1 19 GLN H 0.000 . 3.500 2.641 2.320 2.825 . 0 0 "[ . 1 ]" 1
137 1 16 CYS H 1 17 GLU H 0.000 . 3.500 2.750 2.348 3.026 . 0 0 "[ . 1 ]" 1
138 1 19 GLN H 1 20 VAL H 0.000 . 3.500 2.462 2.354 2.634 . 0 0 "[ . 1 ]" 1
139 1 20 VAL H 1 21 ASP H 0.000 . 3.500 2.597 2.342 2.809 . 0 0 "[ . 1 ]" 1
140 1 20 VAL H 1 22 ARG H 0.000 . 5.000 4.028 3.910 4.164 . 0 0 "[ . 1 ]" 1
141 1 21 ASP H 1 22 ARG H 0.000 . 3.500 2.713 2.561 2.799 . 0 0 "[ . 1 ]" 1
142 1 22 ARG H 1 23 VAL H 0.000 . 3.500 2.343 1.906 2.676 . 0 0 "[ . 1 ]" 1
143 1 23 VAL H 1 24 ASN H 0.000 . 3.500 3.206 2.385 3.517 0.017 6 0 "[ . 1 ]" 1
144 1 25 LEU H 1 26 LYS H 0.000 . 3.500 3.308 2.280 3.519 0.019 9 0 "[ . 1 ]" 1
145 1 26 LYS H 1 28 CYS H 0.000 . 5.000 4.229 4.063 4.893 . 0 0 "[ . 1 ]" 1
146 1 28 CYS H 1 29 GLU H 0.000 . 3.500 2.732 2.531 2.899 . 0 0 "[ . 1 ]" 1
147 1 28 CYS H 1 30 GLN H 0.000 . 5.000 3.842 3.753 4.053 . 0 0 "[ . 1 ]" 1
148 1 29 GLU H 1 30 GLN H 0.000 . 3.500 2.718 2.578 2.978 . 0 0 "[ . 1 ]" 1
149 1 29 GLU H 1 32 ILE H 0.000 . 5.000 4.958 4.830 5.037 0.037 13 0 "[ . 1 ]" 1
150 1 30 GLN H 1 31 HIS H 0.000 . 3.500 2.578 2.487 2.702 . 0 0 "[ . 1 ]" 1
151 1 30 GLN H 1 32 ILE H 0.000 . 5.000 4.095 3.889 4.341 . 0 0 "[ . 1 ]" 1
152 1 31 HIS H 1 32 ILE H 0.000 . 3.500 2.405 2.269 2.532 . 0 0 "[ . 1 ]" 1
153 1 31 HIS H 1 33 MET H 0.000 . 5.000 4.016 3.726 4.261 . 0 0 "[ . 1 ]" 1
154 1 32 ILE H 1 33 MET H 0.000 . 3.500 2.409 2.265 2.601 . 0 0 "[ . 1 ]" 1
155 1 32 ILE H 1 34 GLN H 0.000 . 5.000 3.823 3.620 4.157 . 0 0 "[ . 1 ]" 1
156 1 33 MET H 1 34 GLN H 0.000 . 3.500 2.677 2.560 2.766 . 0 0 "[ . 1 ]" 1
157 1 33 MET H 1 35 ARG H 0.000 . 5.000 4.243 4.107 4.456 . 0 0 "[ . 1 ]" 1
158 1 34 GLN H 1 35 ARG H 0.000 . 3.500 2.702 2.605 2.780 . 0 0 "[ . 1 ]" 1
159 1 34 GLN H 1 36 ILE H 0.000 . 5.000 4.509 4.185 4.747 . 0 0 "[ . 1 ]" 1
160 1 35 ARG H 1 36 ILE H 0.000 . 3.500 2.882 2.568 3.091 . 0 0 "[ . 1 ]" 1
161 1 35 ARG H 1 37 MET H 0.000 . 5.000 3.877 3.736 4.031 . 0 0 "[ . 1 ]" 1
162 1 36 ILE H 1 37 MET H 0.000 . 5.000 2.754 2.563 2.922 . 0 0 "[ . 1 ]" 1
163 1 37 MET H 1 38 GLY H 0.000 . 5.000 2.582 2.060 2.920 . 0 0 "[ . 1 ]" 1
164 1 38 GLY H 1 39 GLU H 0.000 . 5.000 3.443 2.512 4.687 . 0 0 "[ . 1 ]" 1
165 1 56 GLN H 1 57 GLN H 0.000 . 3.500 2.630 2.442 2.939 . 0 0 "[ . 1 ]" 1
166 1 60 CYS H 1 61 CYS H 0.000 . 3.500 3.387 3.163 3.510 0.010 11 0 "[ . 1 ]" 1
167 1 60 CYS H 1 62 ASP H 0.000 . 5.000 4.060 3.886 4.208 . 0 0 "[ . 1 ]" 1
168 1 61 CYS H 1 62 ASP H 0.000 . 5.000 2.923 2.844 3.005 . 0 0 "[ . 1 ]" 1
169 1 62 ASP H 1 64 LEU H 0.000 . 5.000 4.385 4.247 4.470 . 0 0 "[ . 1 ]" 1
170 1 62 ASP H 1 63 GLU H 0.000 . 5.000 2.759 2.680 2.815 . 0 0 "[ . 1 ]" 1
171 1 63 GLU H 1 64 LEU H 0.000 . 3.500 2.669 2.622 2.736 . 0 0 "[ . 1 ]" 1
172 1 64 LEU H 1 65 ASN H 0.000 . 3.500 2.669 2.641 2.704 . 0 0 "[ . 1 ]" 1
173 1 64 LEU H 1 66 GLU H 0.000 . 5.000 4.411 4.285 4.658 . 0 0 "[ . 1 ]" 1
174 1 64 LEU H 1 67 MET H 0.000 . 5.000 4.889 4.551 5.025 0.025 12 0 "[ . 1 ]" 1
175 1 65 ASN H 1 66 GLU H 0.000 . 3.500 2.426 2.130 2.573 . 0 0 "[ . 1 ]" 1
176 1 65 ASN H 1 67 MET H 0.000 . 5.000 3.749 3.325 4.068 . 0 0 "[ . 1 ]" 1
177 1 66 GLU H 1 67 MET H 0.000 . 3.500 2.039 1.751 2.432 . 0 0 "[ . 1 ]" 1
178 1 66 GLU H 1 68 GLU H 0.000 . 5.000 4.201 2.782 4.829 . 0 0 "[ . 1 ]" 1
179 1 67 MET H 1 68 GLU H 0.000 . 3.500 3.159 2.452 3.518 0.018 2 0 "[ . 1 ]" 1
180 1 68 GLU H 1 69 ASN H 0.000 . 3.500 2.737 2.584 2.900 . 0 0 "[ . 1 ]" 1
181 1 69 ASN H 1 70 THR H 0.000 . 3.500 2.855 2.619 3.159 . 0 0 "[ . 1 ]" 1
182 1 70 THR H 1 71 GLN H 0.000 . 5.000 3.987 2.502 4.706 . 0 0 "[ . 1 ]" 1
183 1 75 CYS H 1 76 GLU H 0.000 . 5.000 2.938 2.715 3.074 . 0 0 "[ . 1 ]" 1
184 1 75 CYS H 1 77 ALA H 0.000 . 5.000 3.917 3.868 4.017 . 0 0 "[ . 1 ]" 1
185 1 75 CYS H 1 78 LEU H 0.000 . 5.000 4.869 4.587 5.007 0.007 9 0 "[ . 1 ]" 1
186 1 76 GLU H 1 77 ALA H 0.000 . 3.500 2.613 2.577 2.668 . 0 0 "[ . 1 ]" 1
187 1 77 ALA H 1 78 LEU H 0.000 . 3.500 2.622 2.587 2.679 . 0 0 "[ . 1 ]" 1
188 1 77 ALA H 1 79 GLN H 0.000 . 5.000 3.840 3.787 3.913 . 0 0 "[ . 1 ]" 1
189 1 78 LEU H 1 80 GLN H 0.000 . 5.000 4.175 4.080 4.308 . 0 0 "[ . 1 ]" 1
190 1 78 LEU H 1 79 GLN H 0.000 . 3.500 2.725 2.632 2.800 . 0 0 "[ . 1 ]" 1
191 1 78 LEU H 1 81 ILE H 0.000 . 5.000 4.882 4.738 5.016 0.016 6 0 "[ . 1 ]" 1
192 1 79 GLN H 1 80 GLN H 0.000 . 5.000 2.765 2.644 2.832 . 0 0 "[ . 1 ]" 1
193 1 80 GLN H 1 83 GLU H 0.000 . 5.000 4.884 4.693 5.014 0.014 14 0 "[ . 1 ]" 1
194 1 81 ILE H 1 82 MET H 0.000 . 3.500 3.044 2.937 3.164 . 0 0 "[ . 1 ]" 1
195 1 81 ILE H 1 83 GLU H 0.000 . 5.000 4.332 4.227 4.507 . 0 0 "[ . 1 ]" 1
196 1 82 MET H 1 83 GLU H 0.000 . 3.500 2.960 2.879 3.113 . 0 0 "[ . 1 ]" 1
197 1 83 GLU H 1 84 ASN H 0.000 . 3.500 2.573 2.547 2.617 . 0 0 "[ . 1 ]" 1
198 1 83 GLU H 1 85 GLN H 0.000 . 5.000 4.197 4.025 4.299 . 0 0 "[ . 1 ]" 1
199 1 84 ASN H 1 85 GLN H 0.000 . 3.500 2.453 2.249 2.801 . 0 0 "[ . 1 ]" 1
200 1 84 ASN H 1 86 CYS H 0.000 . 5.000 4.132 3.740 4.512 . 0 0 "[ . 1 ]" 1
201 1 85 GLN H 1 86 CYS H 0.000 . 3.500 2.322 1.851 2.694 . 0 0 "[ . 1 ]" 1
202 1 85 GLN H 1 87 ASP H 0.000 . 5.000 4.521 4.105 5.020 0.020 14 0 "[ . 1 ]" 1
203 1 86 CYS H 1 87 ASP H 0.000 . 3.500 2.407 1.994 3.415 . 0 0 "[ . 1 ]" 1
204 1 87 ASP H 1 88 ARG H 0.000 . 3.500 2.818 2.546 3.054 . 0 0 "[ . 1 ]" 1
205 1 87 ASP H 1 89 LEU H 0.000 . 5.000 4.194 3.790 5.017 0.017 14 0 "[ . 1 ]" 1
206 1 88 ARG H 1 89 LEU H 0.000 . 3.500 2.594 2.149 3.409 . 0 0 "[ . 1 ]" 1
207 1 89 LEU H 1 90 GLN H 0.000 . 5.000 2.711 2.570 2.847 . 0 0 "[ . 1 ]" 1
208 1 90 GLN H 1 91 ASP H 0.000 . 3.500 3.008 2.618 3.527 0.027 9 0 "[ . 1 ]" 1
209 1 98 PHE H 1 99 LYS H 0.000 . 3.500 2.784 2.699 2.883 . 0 0 "[ . 1 ]" 1
210 1 99 LYS H 1 100 ARG H 0.000 . 3.500 2.643 2.549 2.738 . 0 0 "[ . 1 ]" 1
211 1 99 LYS H 1 101 GLU H 0.000 . 5.000 4.381 4.132 4.644 . 0 0 "[ . 1 ]" 1
212 1 100 ARG H 1 101 GLU H 0.000 . 3.500 2.718 2.622 2.828 . 0 0 "[ . 1 ]" 1
213 1 100 ARG H 1 102 LEU H 0.000 . 5.000 3.879 3.734 4.026 . 0 0 "[ . 1 ]" 1
214 1 101 GLU H 1 102 LEU H 0.000 . 3.500 2.615 2.547 2.699 . 0 0 "[ . 1 ]" 1
215 1 102 LEU H 1 103 MET H 0.000 . 3.500 2.711 2.630 2.797 . 0 0 "[ . 1 ]" 1
216 1 102 LEU H 1 104 SER H 0.000 . 5.000 4.153 3.995 4.435 . 0 0 "[ . 1 ]" 1
217 1 103 MET H 1 104 SER H 0.000 . 3.500 2.606 2.432 2.835 . 0 0 "[ . 1 ]" 1
218 1 103 MET H 1 105 LEU H 0.000 . 5.000 3.990 3.652 4.165 . 0 0 "[ . 1 ]" 1
219 1 104 SER H 1 105 LEU H 0.000 . 3.500 2.396 2.375 2.409 . 0 0 "[ . 1 ]" 1
220 1 107 GLN H 1 108 GLN H 0.000 . 5.000 2.286 2.201 2.349 . 0 0 "[ . 1 ]" 1
221 1 108 GLN H 1 109 CYS H 0.000 . 3.500 2.830 2.721 2.990 . 0 0 "[ . 1 ]" 1
222 1 108 GLN H 1 110 ASN H 0.000 . 5.000 4.130 3.746 5.016 0.016 11 0 "[ . 1 ]" 1
223 1 109 CYS H 1 111 PHE H 0.000 . 5.000 3.710 3.133 4.289 . 0 0 "[ . 1 ]" 1
224 1 109 CYS H 1 110 ASN H 0.000 . 3.500 2.230 2.028 2.558 . 0 0 "[ . 1 ]" 1
225 1 110 ASN H 1 111 PHE H 0.000 . 3.500 2.601 1.760 2.999 . 0 0 "[ . 1 ]" 1
226 1 111 PHE H 1 112 ARG H 0.000 . 3.500 2.964 2.418 3.531 0.031 13 0 "[ . 1 ]" 1
227 1 118 ASP H 1 119 LEU H 0.000 . 5.000 3.689 2.278 4.666 . 0 0 "[ . 1 ]" 1
228 1 120 ASP H 1 121 VAL H 0.000 . 3.500 2.729 2.554 2.962 . 0 0 "[ . 1 ]" 1
229 1 121 VAL H 1 122 SER H 0.000 . 3.500 2.835 2.551 3.495 . 0 0 "[ . 1 ]" 1
230 1 123 GLY H 1 124 GLY H 0.000 . 5.000 3.933 2.408 4.690 . 0 0 "[ . 1 ]" 1
231 1 126 CYS H 1 127 SER H 0.000 . 3.500 2.747 2.408 3.122 . 0 0 "[ . 1 ]" 1
232 1 29 GLU HB2 1 81 ILE MD 0.000 . 5.000 3.396 3.100 4.034 . 0 0 "[ . 1 ]" 1
233 1 33 MET HA 1 94 MET ME 0.000 . 5.000 2.743 1.872 3.331 . 0 0 "[ . 1 ]" 1
234 1 78 LEU MD2 1 81 ILE MD 0.000 . 5.000 3.566 1.949 4.597 . 0 0 "[ . 1 ]" 1
235 1 36 ILE MD 1 94 MET ME 0.000 . 5.000 1.791 1.695 2.006 . 0 0 "[ . 1 ]" 1
236 1 20 VAL MG2 1 73 CYS HB3 0.000 . 5.000 3.811 2.514 5.013 0.013 14 0 "[ . 1 ]" 1
237 1 20 VAL MG2 1 77 ALA HA 0.000 . 5.000 3.411 2.281 4.453 . 0 0 "[ . 1 ]" 1
238 1 64 LEU MD1 1 70 THR MG 0.000 . 5.000 3.187 1.703 4.238 . 0 0 "[ . 1 ]" 1
239 1 64 LEU MD2 1 70 THR MG 0.000 . 5.000 2.696 1.810 4.267 . 0 0 "[ . 1 ]" 1
240 1 86 CYS HB2 1 98 PHE QD 0.000 . 5.000 4.964 4.658 5.091 0.091 12 0 "[ . 1 ]" 1
241 1 29 GLU HA 1 32 ILE MD 0.000 . 5.000 2.684 1.900 3.908 . 0 0 "[ . 1 ]" 1
242 1 29 GLU HA 1 81 ILE MG 0.000 . 3.500 2.834 2.088 3.507 0.007 4 0 "[ . 1 ]" 1
243 1 23 VAL MG1 1 80 GLN H 0.000 . 5.000 4.819 4.336 5.259 0.259 1 0 "[ . 1 ]" 1
244 1 23 VAL MG1 1 77 ALA MB 0.000 . 2.700 2.786 1.744 3.521 0.821 2 4 "[-+ *. 1* ]" 1
245 1 23 VAL MG1 1 77 ALA HA 0.000 . 2.700 2.952 2.136 3.572 0.872 11 4 "[* *. - 1+ ]" 1
246 1 23 VAL MG2 1 77 ALA MB 0.000 . 3.500 2.297 1.610 2.808 . 0 0 "[ . 1 ]" 1
247 1 32 ILE MD 1 81 ILE MG 0.000 . 5.000 3.542 2.495 5.026 0.026 10 0 "[ . 1 ]" 1
248 1 28 CYS HB3 1 81 ILE MD 0.000 . 3.500 2.808 2.347 3.441 . 0 0 "[ . 1 ]" 1
249 1 28 CYS HB2 1 81 ILE MD 0.000 . 3.500 2.940 2.249 3.506 0.006 13 0 "[ . 1 ]" 1
250 1 28 CYS HA 1 81 ILE MD 0.000 . 5.000 4.938 4.782 5.006 0.006 1 0 "[ . 1 ]" 1
251 1 28 CYS H 1 81 ILE MG 0.000 . 5.000 4.946 4.439 5.012 0.012 4 0 "[ . 1 ]" 1
252 1 28 CYS H 1 81 ILE MD 0.000 . 5.000 4.509 4.151 4.836 . 0 0 "[ . 1 ]" 1
253 1 29 GLU H 1 81 ILE MD 0.000 . 3.500 3.212 2.938 3.493 . 0 0 "[ . 1 ]" 1
254 1 29 GLU H 1 81 ILE MG 0.000 . 3.500 2.917 2.617 3.130 . 0 0 "[ . 1 ]" 1
255 1 29 GLU HA 1 81 ILE MD 0.000 . 5.000 3.836 3.457 4.252 . 0 0 "[ . 1 ]" 1
256 1 31 HIS H 1 32 ILE MG 0.000 . 5.000 5.100 5.028 5.230 0.230 12 0 "[ . 1 ]" 1
257 1 31 HIS H 1 32 ILE MD 0.000 . 5.000 4.607 3.108 5.017 0.017 9 0 "[ . 1 ]" 1
258 1 35 ARG H 1 36 ILE MG 0.000 . 5.000 4.363 4.087 4.640 . 0 0 "[ . 1 ]" 1
259 1 35 ARG H 1 36 ILE MD 0.000 . 5.000 4.906 4.722 5.013 0.013 3 0 "[ . 1 ]" 1
260 1 74 MET ME 1 111 PHE H 0.000 . 5.000 4.455 3.578 4.965 . 0 0 "[ . 1 ]" 1
261 1 64 LEU H 1 67 MET ME 0.000 . 5.000 4.148 3.084 5.005 0.005 7 0 "[ . 1 ]" 1
262 1 64 LEU H 1 70 THR MG 0.000 . 5.000 4.684 4.099 5.000 . 0 0 "[ . 1 ]" 1
263 1 67 MET H 1 70 THR MG 0.000 . 5.000 4.526 3.854 5.018 0.018 5 0 "[ . 1 ]" 1
264 1 89 LEU QD 1 99 LYS H 0.000 . 5.000 4.178 3.779 4.450 . 0 0 "[ . 1 ]" 1
265 1 36 ILE MD 1 99 LYS H 0.000 . 5.000 4.650 4.250 4.910 . 0 0 "[ . 1 ]" 1
266 1 36 ILE MG 1 99 LYS H 0.000 . 5.000 4.593 4.269 4.944 . 0 0 "[ . 1 ]" 1
267 1 32 ILE MG 1 102 LEU H 0.000 . 3.500 3.315 2.913 3.527 0.027 10 0 "[ . 1 ]" 1
268 1 32 ILE MD 1 102 LEU H 0.000 . 5.000 4.493 3.722 5.059 0.059 13 0 "[ . 1 ]" 1
269 1 32 ILE MD 1 102 LEU QD 0.000 . 5.000 1.948 1.617 2.465 . 0 0 "[ . 1 ]" 1
270 1 32 ILE MG 1 102 LEU QD 0.000 . 5.000 2.219 1.796 2.612 . 0 0 "[ . 1 ]" 1
271 1 102 LEU QD 1 105 LEU HA 0.000 . 5.000 4.948 4.897 4.987 . 0 0 "[ . 1 ]" 1
272 1 94 MET ME 1 102 LEU QD 0.000 . 5.000 4.187 3.730 4.473 . 0 0 "[ . 1 ]" 1
273 1 102 LEU HA 1 105 LEU QD 0.000 . 5.000 2.541 1.976 2.994 . 0 0 "[ . 1 ]" 1
274 1 32 ILE MG 1 105 LEU QD 0.000 . 5.000 2.390 1.500 3.404 . 0 0 "[ . 1 ]" 1
275 1 32 ILE MD 1 105 LEU QD 0.000 . 3.500 1.631 1.432 2.007 . 0 0 "[ . 1 ]" 1
276 1 32 ILE MD 1 105 LEU H 0.000 . 5.000 4.416 2.916 5.053 0.053 14 0 "[ . 1 ]" 1
277 1 89 LEU QD 1 95 VAL MG2 0.000 . 3.500 2.350 1.675 3.593 0.093 7 0 "[ . 1 ]" 1
278 1 89 LEU QD 1 95 VAL HA 0.000 . 2.700 1.988 1.676 2.576 . 0 0 "[ . 1 ]" 1
279 1 89 LEU QD 1 94 MET ME 0.000 . 3.500 1.883 1.572 2.315 . 0 0 "[ . 1 ]" 1
280 1 89 LEU QD 1 94 MET HG3 0.000 . 3.500 3.118 1.747 4.218 0.718 12 3 "[ . * + -]" 1
281 1 86 CYS HB2 1 89 LEU QD 0.000 . 5.000 2.750 2.142 3.293 . 0 0 "[ . 1 ]" 1
282 1 86 CYS HB3 1 89 LEU QD 0.000 . 5.000 3.441 2.360 4.326 . 0 0 "[ . 1 ]" 1
283 1 86 CYS HA 1 89 LEU QD 0.000 . 5.000 3.264 2.444 4.471 . 0 0 "[ . 1 ]" 1
284 1 31 HIS HD2 1 32 ILE MD 0.000 . 5.000 3.494 1.824 4.675 . 0 0 "[ . 1 ]" 1
285 1 31 HIS HD2 1 105 LEU QD 0.000 . 2.700 2.537 2.012 2.644 . 0 0 "[ . 1 ]" 1
286 1 36 ILE MD 1 98 PHE H 0.000 . 5.000 2.793 2.331 3.051 . 0 0 "[ . 1 ]" 1
287 1 36 ILE MD 1 98 PHE QD 0.000 . 5.000 2.655 1.911 3.136 . 0 0 "[ . 1 ]" 1
288 1 36 ILE MD 1 98 PHE QE 0.000 . 5.000 4.038 3.476 4.512 . 0 0 "[ . 1 ]" 1
289 1 32 ILE MG 1 98 PHE QD 0.000 . 2.700 2.390 1.749 2.751 0.051 8 0 "[ . 1 ]" 1
290 1 89 LEU QD 1 98 PHE QD 0.000 . 3.500 1.808 1.598 2.118 . 0 0 "[ . 1 ]" 1
291 1 98 PHE QD 1 102 LEU QD 0.000 . 3.500 2.766 2.264 3.177 . 0 0 "[ . 1 ]" 1
292 1 98 PHE QD 1 105 LEU QD 0.000 . 5.000 4.757 4.401 4.924 . 0 0 "[ . 1 ]" 1
293 1 33 MET ME 1 98 PHE QD 0.000 . 5.000 3.818 3.436 4.399 . 0 0 "[ . 1 ]" 1
294 1 82 MET ME 1 98 PHE QD 0.000 . 5.000 3.002 2.341 3.700 . 0 0 "[ . 1 ]" 1
295 1 33 MET HA 1 98 PHE QD 0.000 . 5.000 4.242 3.922 4.650 . 0 0 "[ . 1 ]" 1
296 1 82 MET HA 1 98 PHE QD 0.000 . 5.000 4.879 3.968 5.037 0.037 11 0 "[ . 1 ]" 1
297 1 32 ILE MG 1 98 PHE QE 0.000 . 5.000 2.113 1.690 2.534 . 0 0 "[ . 1 ]" 1
298 1 32 ILE MD 1 98 PHE QE 0.000 . 3.500 2.437 1.731 3.414 . 0 0 "[ . 1 ]" 1
299 1 89 LEU QD 1 98 PHE QE 0.000 . 5.000 2.943 1.974 3.696 . 0 0 "[ . 1 ]" 1
300 1 98 PHE QE 1 102 LEU QD 0.000 . 3.500 1.831 1.722 2.059 . 0 0 "[ . 1 ]" 1
301 1 98 PHE QE 1 105 LEU QD 0.000 . 3.500 3.442 3.325 3.503 0.003 10 0 "[ . 1 ]" 1
302 1 33 MET ME 1 98 PHE QE 0.000 . 5.000 3.430 2.716 3.976 . 0 0 "[ . 1 ]" 1
303 1 33 MET HA 1 98 PHE QE 0.000 . 5.000 4.923 4.755 5.020 0.020 9 0 "[ . 1 ]" 1
304 1 82 MET ME 1 98 PHE QE 0.000 . 3.500 2.824 1.991 3.359 . 0 0 "[ . 1 ]" 1
305 1 82 MET HA 1 98 PHE QE 0.000 . 3.500 2.694 1.865 3.065 . 0 0 "[ . 1 ]" 1
306 1 32 ILE MD 1 98 PHE HZ 0.000 . 5.000 3.409 1.899 5.025 0.025 10 0 "[ . 1 ]" 1
307 1 98 PHE HZ 1 105 LEU QD 0.000 . 5.000 4.534 4.197 4.882 . 0 0 "[ . 1 ]" 1
308 1 98 PHE HZ 1 102 LEU QD 0.000 . 5.000 2.262 2.011 2.585 . 0 0 "[ . 1 ]" 1
309 1 82 MET ME 1 98 PHE HZ 0.000 . 5.000 4.337 3.508 4.776 . 0 0 "[ . 1 ]" 1
310 1 33 MET ME 1 98 PHE HZ 0.000 . 5.000 4.096 3.164 4.963 . 0 0 "[ . 1 ]" 1
311 1 82 MET HA 1 98 PHE HZ 0.000 . 5.000 3.569 2.637 4.236 . 0 0 "[ . 1 ]" 1
312 1 81 ILE MG 1 98 PHE QE 0.000 . 5.000 3.845 3.538 4.176 . 0 0 "[ . 1 ]" 1
313 1 81 ILE MG 1 98 PHE HZ 0.000 . 5.000 2.890 2.402 3.334 . 0 0 "[ . 1 ]" 1
314 1 64 LEU MD1 1 111 PHE QE 0.000 . 5.000 3.647 1.999 4.994 . 0 0 "[ . 1 ]" 1
315 1 64 LEU MD2 1 111 PHE QE 0.000 . 5.000 3.790 1.890 4.769 . 0 0 "[ . 1 ]" 1
316 1 33 MET ME 1 89 LEU QD 0.000 . 3.500 3.087 2.857 3.434 . 0 0 "[ . 1 ]" 1
317 1 74 MET ME 1 111 PHE QD 0.000 . 3.500 2.293 1.803 2.688 . 0 0 "[ . 1 ]" 1
318 1 74 MET ME 1 111 PHE QE 0.000 . 3.500 2.713 1.921 3.487 . 0 0 "[ . 1 ]" 1
319 1 74 MET ME 1 111 PHE HB3 0.000 . 5.000 3.481 1.959 4.464 . 0 0 "[ . 1 ]" 1
320 1 70 THR MG 1 74 MET ME 0.000 . 5.000 3.922 2.783 4.999 . 0 0 "[ . 1 ]" 1
321 1 82 MET ME 1 89 LEU QD 0.000 . 3.500 2.371 1.786 3.305 . 0 0 "[ . 1 ]" 1
322 1 36 ILE MD 1 98 PHE HA 0.000 . 5.000 2.336 1.755 2.795 . 0 0 "[ . 1 ]" 1
323 1 36 ILE MD 1 98 PHE HB3 0.000 . 5.000 3.413 3.098 3.780 . 0 0 "[ . 1 ]" 1
324 1 36 ILE MD 1 98 PHE HB2 0.000 . 5.000 2.016 1.786 2.508 . 0 0 "[ . 1 ]" 1
325 1 32 ILE MG 1 36 ILE MD 0.000 . 5.000 3.369 1.987 4.620 . 0 0 "[ . 1 ]" 1
326 1 36 ILE QG 1 98 PHE H 0.000 . 5.000 4.714 4.249 4.973 . 0 0 "[ . 1 ]" 1
327 1 33 MET H 1 98 PHE QE 0.000 . 5.000 4.252 4.085 4.447 . 0 0 "[ . 1 ]" 1
328 1 89 LEU QD 1 95 VAL H 0.000 . 5.000 3.054 2.468 3.412 . 0 0 "[ . 1 ]" 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 50
_Distance_constraint_stats_list.Viol_count 108
_Distance_constraint_stats_list.Viol_total 31.591
_Distance_constraint_stats_list.Viol_max 0.088
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0209
_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 25 LEU 0.287 0.041 13 0 "[ . 1 ]"
1 26 LYS 0.008 0.007 8 0 "[ . 1 ]"
1 28 CYS 0.663 0.088 12 0 "[ . 1 ]"
1 29 GLU 0.287 0.041 13 0 "[ . 1 ]"
1 30 GLN 0.094 0.028 4 0 "[ . 1 ]"
1 32 ILE 0.674 0.088 12 0 "[ . 1 ]"
1 33 MET 0.000 0.000 . 0 "[ . 1 ]"
1 34 GLN 0.086 0.028 4 0 "[ . 1 ]"
1 36 ILE 0.011 0.011 12 0 "[ . 1 ]"
1 58 GLN 0.034 0.029 1 0 "[ . 1 ]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 60 CYS 0.041 0.016 3 0 "[ . 1 ]"
1 62 ASP 0.034 0.029 1 0 "[ . 1 ]"
1 63 GLU 0.005 0.005 10 0 "[ . 1 ]"
1 64 LEU 0.041 0.016 3 0 "[ . 1 ]"
1 67 MET 0.005 0.005 10 0 "[ . 1 ]"
1 73 CYS 0.155 0.022 1 0 "[ . 1 ]"
1 74 MET 0.000 0.000 . 0 "[ . 1 ]"
1 75 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 76 GLU 0.332 0.040 2 0 "[ . 1 ]"
1 77 ALA 0.164 0.022 1 0 "[ . 1 ]"
1 78 LEU 0.057 0.026 13 0 "[ . 1 ]"
1 79 GLN 0.012 0.009 13 0 "[ . 1 ]"
1 80 GLN 0.332 0.040 2 0 "[ . 1 ]"
1 81 ILE 0.447 0.063 6 0 "[ . 1 ]"
1 82 MET 0.057 0.026 13 0 "[ . 1 ]"
1 83 GLU 0.012 0.009 13 0 "[ . 1 ]"
1 85 GLN 0.438 0.063 6 0 "[ . 1 ]"
1 94 MET 0.004 0.004 2 0 "[ . 1 ]"
1 95 VAL 0.039 0.019 4 0 "[ . 1 ]"
1 96 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 98 PHE 0.004 0.004 2 0 "[ . 1 ]"
1 99 LYS 0.107 0.023 12 0 "[ . 1 ]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 101 GLU 0.009 0.009 13 0 "[ . 1 ]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 103 MET 0.068 0.023 12 0 "[ . 1 ]"
1 105 LEU 0.009 0.009 13 0 "[ . 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 25 LEU O 1 29 GLU H 0.000 . 2.300 2.294 1.980 2.341 0.041 13 0 "[ . 1 ]" 2
2 1 25 LEU O 1 29 GLU N 0.000 . 3.300 3.247 2.671 3.311 0.011 4 0 "[ . 1 ]" 2
3 1 26 LYS O 1 30 GLN H 0.000 . 2.300 2.141 1.949 2.307 0.007 8 0 "[ . 1 ]" 2
4 1 26 LYS O 1 30 GLN N 0.000 . 3.300 2.997 2.871 3.099 . 0 0 "[ . 1 ]" 2
5 1 28 CYS O 1 32 ILE H 0.000 . 2.300 2.347 2.318 2.388 0.088 12 0 "[ . 1 ]" 2
6 1 28 CYS O 1 32 ILE N 0.000 . 3.300 3.180 3.106 3.265 . 0 0 "[ . 1 ]" 2
7 1 29 GLU O 1 33 MET H 0.000 . 2.300 1.826 1.606 2.117 . 0 0 "[ . 1 ]" 2
8 1 29 GLU O 1 33 MET N 0.000 . 3.300 2.786 2.573 3.067 . 0 0 "[ . 1 ]" 2
9 1 30 GLN O 1 34 GLN H 0.000 . 2.300 2.233 2.075 2.328 0.028 4 0 "[ . 1 ]" 2
10 1 30 GLN O 1 34 GLN N 0.000 . 3.300 3.092 2.964 3.215 . 0 0 "[ . 1 ]" 2
11 1 32 ILE O 1 36 ILE H 0.000 . 2.300 2.117 1.893 2.311 0.011 12 0 "[ . 1 ]" 2
12 1 32 ILE O 1 36 ILE N 0.000 . 3.300 3.054 2.777 3.267 . 0 0 "[ . 1 ]" 2
13 1 58 GLN O 1 62 ASP H 0.000 . 2.300 2.133 1.715 2.329 0.029 1 0 "[ . 1 ]" 2
14 1 58 GLN O 1 62 ASP N 0.000 . 3.300 3.032 2.584 3.304 0.004 1 0 "[ . 1 ]" 2
15 1 59 ARG O 1 63 GLU H 0.000 . 2.300 1.810 1.564 2.072 . 0 0 "[ . 1 ]" 2
16 1 59 ARG O 1 63 GLU N 0.000 . 3.300 2.643 2.414 2.949 . 0 0 "[ . 1 ]" 2
17 1 60 CYS O 1 64 LEU H 0.000 . 2.300 2.242 2.029 2.316 0.016 3 0 "[ . 1 ]" 2
18 1 60 CYS O 1 64 LEU N 0.000 . 3.300 3.160 2.965 3.226 . 0 0 "[ . 1 ]" 2
19 1 63 GLU O 1 67 MET H 0.000 . 2.300 2.078 1.569 2.305 0.005 10 0 "[ . 1 ]" 2
20 1 63 GLU O 1 67 MET N 0.000 . 3.300 2.875 2.373 3.270 . 0 0 "[ . 1 ]" 2
21 1 73 CYS O 1 77 ALA H 0.000 . 2.300 2.311 2.294 2.322 0.022 1 0 "[ . 1 ]" 2
22 1 73 CYS O 1 77 ALA N 0.000 . 3.300 3.065 2.964 3.142 . 0 0 "[ . 1 ]" 2
23 1 74 MET O 1 78 LEU H 0.000 . 2.300 1.995 1.650 2.197 . 0 0 "[ . 1 ]" 2
24 1 74 MET O 1 78 LEU N 0.000 . 3.300 2.915 2.575 3.104 . 0 0 "[ . 1 ]" 2
25 1 75 CYS O 1 79 GLN H 0.000 . 2.300 1.919 1.712 2.071 . 0 0 "[ . 1 ]" 2
26 1 75 CYS O 1 79 GLN N 0.000 . 3.300 2.870 2.627 3.038 . 0 0 "[ . 1 ]" 2
27 1 76 GLU O 1 80 GLN H 0.000 . 2.300 2.324 2.310 2.340 0.040 2 0 "[ . 1 ]" 2
28 1 76 GLU O 1 80 GLN N 0.000 . 3.300 3.175 3.126 3.221 . 0 0 "[ . 1 ]" 2
29 1 77 ALA O 1 81 ILE H 0.000 . 2.300 2.142 1.864 2.308 0.008 13 0 "[ . 1 ]" 2
30 1 77 ALA O 1 81 ILE N 0.000 . 3.300 3.093 2.842 3.251 . 0 0 "[ . 1 ]" 2
31 1 78 LEU O 1 82 MET H 0.000 . 2.300 2.253 1.972 2.326 0.026 13 0 "[ . 1 ]" 2
32 1 78 LEU O 1 82 MET N 0.000 . 3.300 3.203 2.911 3.295 . 0 0 "[ . 1 ]" 2
33 1 79 GLN O 1 83 GLU H 0.000 . 2.300 2.138 1.924 2.309 0.009 13 0 "[ . 1 ]" 2
34 1 79 GLN O 1 83 GLU N 0.000 . 3.300 3.105 2.889 3.283 . 0 0 "[ . 1 ]" 2
35 1 81 ILE O 1 85 GLN H 0.000 . 2.300 2.331 2.303 2.363 0.063 6 0 "[ . 1 ]" 2
36 1 81 ILE O 1 85 GLN N 0.000 . 3.300 3.051 2.980 3.101 . 0 0 "[ . 1 ]" 2
37 1 94 MET O 1 98 PHE H 0.000 . 2.300 1.868 1.552 2.304 0.004 2 0 "[ . 1 ]" 2
38 1 94 MET O 1 98 PHE N 0.000 . 3.300 2.721 2.419 3.068 . 0 0 "[ . 1 ]" 2
39 1 95 VAL O 1 99 LYS H 0.000 . 2.300 2.145 1.708 2.319 0.019 4 0 "[ . 1 ]" 2
40 1 95 VAL O 1 99 LYS N 0.000 . 3.300 2.990 2.675 3.244 . 0 0 "[ . 1 ]" 2
41 1 96 GLN O 1 100 ARG H 0.000 . 2.300 1.841 1.592 2.179 . 0 0 "[ . 1 ]" 2
42 1 96 GLN O 1 100 ARG N 0.000 . 3.300 2.760 2.438 3.113 . 0 0 "[ . 1 ]" 2
43 1 97 GLN O 1 101 GLU H 0.000 . 2.300 1.808 1.646 2.022 . 0 0 "[ . 1 ]" 2
44 1 97 GLN O 1 101 GLU N 0.000 . 3.300 2.779 2.608 2.988 . 0 0 "[ . 1 ]" 2
45 1 98 PHE O 1 102 LEU H 0.000 . 2.300 1.698 1.496 1.873 . 0 0 "[ . 1 ]" 2
46 1 98 PHE O 1 102 LEU N 0.000 . 3.300 2.612 2.416 2.800 . 0 0 "[ . 1 ]" 2
47 1 99 LYS O 1 103 MET H 0.000 . 2.300 2.165 1.915 2.323 0.023 12 0 "[ . 1 ]" 2
48 1 99 LYS O 1 103 MET N 0.000 . 3.300 2.965 2.711 3.218 . 0 0 "[ . 1 ]" 2
49 1 101 GLU O 1 105 LEU H 0.000 . 2.300 2.050 1.880 2.309 0.009 13 0 "[ . 1 ]" 2
50 1 101 GLU O 1 105 LEU N 0.000 . 3.300 2.926 2.751 3.182 . 0 0 "[ . 1 ]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 4:24:32 PM GMT (wattos1)