NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632742 |
6er0   |
34185 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6er0
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 529
_Distance_constraint_stats_list.Viol_count 232
_Distance_constraint_stats_list.Viol_total 184.158
_Distance_constraint_stats_list.Viol_max 0.792
_Distance_constraint_stats_list.Viol_rms 0.0251
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0529
_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 17 SER 0.000 0.000 . 0 "[ . 1 .]"
1 18 ASP 0.096 0.044 10 0 "[ . 1 .]"
1 19 TRP 2.944 0.762 13 2 "[ . - 1 + .]"
1 20 VAL 0.008 0.008 14 0 "[ . 1 .]"
1 21 THR 0.022 0.005 9 0 "[ . 1 .]"
1 22 THR 0.000 0.000 . 0 "[ . 1 .]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 24 ILE 0.057 0.009 12 0 "[ . 1 .]"
1 25 GLN 0.017 0.007 6 0 "[ . 1 .]"
1 26 VAL 0.016 0.012 7 0 "[ . 1 .]"
1 27 LYS 0.164 0.025 11 0 "[ . 1 .]"
1 28 VAL 0.346 0.106 14 0 "[ . 1 .]"
1 29 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 31 THR 0.000 0.000 . 0 "[ . 1 .]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 35 THR 0.009 0.005 6 0 "[ . 1 .]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 37 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 38 VAL 0.298 0.106 14 0 "[ . 1 .]"
1 39 GLY 0.013 0.013 12 0 "[ . 1 .]"
1 40 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 41 THR 0.034 0.018 7 0 "[ . 1 .]"
1 42 GLY 0.003 0.003 11 0 "[ . 1 .]"
1 43 VAL 0.340 0.039 11 0 "[ . 1 .]"
1 44 ILE 0.009 0.004 11 0 "[ . 1 .]"
1 45 ARG 0.001 0.001 6 0 "[ . 1 .]"
1 46 SER 0.004 0.004 11 0 "[ . 1 .]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 48 THR 0.000 0.000 . 0 "[ . 1 .]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 51 MET 0.009 0.006 6 0 "[ . 1 .]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 53 SER 0.000 0.000 . 0 "[ . 1 .]"
1 54 VAL 0.085 0.019 6 0 "[ . 1 .]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 56 LEU 0.364 0.039 11 0 "[ . 1 .]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 59 SER 0.000 0.000 . 0 "[ . 1 .]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 62 VAL 0.132 0.037 7 0 "[ . 1 .]"
1 63 VAL 7.193 0.792 10 5 "[* . *+ *- .]"
1 64 SER 0.050 0.025 7 0 "[ . 1 .]"
1 65 ILE 6.908 0.792 10 5 "[* . *+ *- .]"
1 66 SER 0.000 0.000 . 0 "[ . 1 .]"
1 67 SER 0.007 0.006 6 0 "[ . 1 .]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 69 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 70 LEU 2.814 0.762 13 2 "[ . - 1 + .]"
1 71 GLU 0.038 0.014 6 0 "[ . 1 .]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 73 ILE 0.201 0.025 11 0 "[ . 1 .]"
1 74 THR 0.006 0.006 4 0 "[ . 1 .]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 76 THR 0.015 0.007 15 0 "[ . 1 .]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 78 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 79 ASN 0.016 0.007 15 0 "[ . 1 .]"
1 80 LYS 0.003 0.003 2 0 "[ . 1 .]"
1 81 VAL 0.161 0.086 15 0 "[ . 1 .]"
1 82 LYS 0.139 0.086 15 0 "[ . 1 .]"
1 83 VAL 0.233 0.058 10 0 "[ . 1 .]"
1 84 ILE 0.040 0.007 13 0 "[ . 1 .]"
1 85 LEU 0.003 0.003 15 0 "[ . 1 .]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 88 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 89 ARG 0.152 0.058 10 0 "[ . 1 .]"
1 90 GLU 0.005 0.005 5 0 "[ . 1 .]"
1 91 ALA 0.055 0.020 10 0 "[ . 1 .]"
1 92 THR 0.000 0.000 . 0 "[ . 1 .]"
1 93 GLY 0.006 0.006 2 0 "[ . 1 .]"
1 94 VAL 0.158 0.030 13 0 "[ . 1 .]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 96 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 97 SER 0.045 0.014 9 0 "[ . 1 .]"
1 98 ILE 0.223 0.046 11 0 "[ . 1 .]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 100 GLY 0.191 0.030 13 0 "[ . 1 .]"
1 101 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 102 ASP 0.106 0.030 13 0 "[ . 1 .]"
1 103 GLY 0.124 0.046 11 0 "[ . 1 .]"
1 104 ILE 0.045 0.014 9 0 "[ . 1 .]"
1 105 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 106 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 107 MET 0.136 0.020 10 0 "[ . 1 .]"
1 108 ASP 0.158 0.030 13 0 "[ . 1 .]"
1 109 LEU 0.001 0.001 5 0 "[ . 1 .]"
1 110 ASP 0.001 0.001 5 0 "[ . 1 .]"
1 111 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 112 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 115 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 116 LEU 0.081 0.080 11 0 "[ . 1 .]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 118 LEU 0.018 0.012 15 0 "[ . 1 .]"
1 119 ARG 0.029 0.017 13 0 "[ . 1 .]"
1 120 PHE 0.081 0.080 11 0 "[ . 1 .]"
1 121 LEU 0.034 0.017 13 0 "[ . 1 .]"
1 122 GLY 0.053 0.009 12 0 "[ . 1 .]"
1 123 LYS 0.004 0.004 12 0 "[ . 1 .]"
1 124 LEU 0.021 0.013 13 0 "[ . 1 .]"
1 125 LEU 0.012 0.007 6 0 "[ . 1 .]"
1 126 GLU 0.000 0.000 . 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 83 VAL H 1 91 ALA H 0.000 . 4.000 3.413 3.132 3.746 . 0 0 "[ . 1 .]" 1
2 1 82 LYS H 1 122 GLY H 0.000 . 4.000 2.547 2.310 2.836 . 0 0 "[ . 1 .]" 1
3 1 80 LYS H 1 124 LEU H 0.000 . 5.000 4.328 4.145 4.480 . 0 0 "[ . 1 .]" 1
4 1 26 VAL H 1 42 GLY H 0.000 . 6.000 2.986 2.621 3.434 . 0 0 "[ . 1 .]" 1
5 1 81 VAL H 1 95 LEU H 0.000 . 6.000 4.202 3.597 5.188 . 0 0 "[ . 1 .]" 1
6 1 79 ASN H 1 95 LEU H 0.000 . 6.000 3.151 2.776 3.449 . 0 0 "[ . 1 .]" 1
7 1 46 SER H 1 53 SER H 0.000 . 6.000 3.218 2.818 3.589 . 0 0 "[ . 1 .]" 1
8 1 27 LYS H 1 71 GLU H 0.000 . 3.000 2.587 2.027 2.930 . 0 0 "[ . 1 .]" 1
9 1 27 LYS HA 1 42 GLY H 0.000 . 6.000 3.550 2.821 4.049 . 0 0 "[ . 1 .]" 1
10 1 26 VAL H 1 43 VAL HA 0.000 . 6.000 3.266 2.847 3.559 . 0 0 "[ . 1 .]" 1
11 1 82 LYS HA 1 93 GLY H 0.000 . 6.000 3.616 2.945 4.010 . 0 0 "[ . 1 .]" 1
12 1 83 VAL HA 1 122 GLY H 0.000 . 4.000 3.868 3.659 3.961 . 0 0 "[ . 1 .]" 1
13 1 84 ILE H 1 121 LEU HA 0.000 . 4.000 3.536 2.829 4.005 0.005 13 0 "[ . 1 .]" 1
14 1 46 SER H 1 52 CYS HA 0.000 . 6.000 5.396 5.136 5.665 . 0 0 "[ . 1 .]" 1
15 1 54 VAL QG 1 65 ILE MD 0.000 . 5.000 2.403 1.719 3.371 . 0 0 "[ . 1 .]" 1
16 1 28 VAL QG 1 65 ILE MD 0.000 . 3.000 1.967 1.710 2.379 . 0 0 "[ . 1 .]" 1
17 1 63 VAL MG2 1 65 ILE MD 0.000 . 6.000 2.389 2.098 2.697 . 0 0 "[ . 1 .]" 1
18 1 63 VAL MG1 1 65 ILE MD 0.000 . 4.000 4.460 4.212 4.792 0.792 10 5 "[* . *+ *- .]" 1
19 1 20 VAL MG1 1 47 VAL QG 0.000 . 6.000 2.305 1.575 3.691 . 0 0 "[ . 1 .]" 1
20 1 55 TYR QD 1 56 LEU H 0.000 . 6.000 3.678 3.524 3.822 . 0 0 "[ . 1 .]" 1
21 1 32 TYR QD 1 65 ILE MD 0.000 . 5.000 3.866 3.271 4.882 . 0 0 "[ . 1 .]" 1
22 1 19 TRP HB2 1 120 PHE QE 0.000 . 6.000 5.747 5.231 5.970 . 0 0 "[ . 1 .]" 1
23 1 41 THR HB 1 73 ILE MD 0.000 . 5.000 4.752 4.289 5.018 0.018 7 0 "[ . 1 .]" 1
24 1 20 VAL QG 1 67 SER H 0.000 . 5.000 4.251 3.678 4.917 . 0 0 "[ . 1 .]" 1
25 1 20 VAL H 1 21 THR H 0.000 . 6.000 4.543 4.299 4.690 . 0 0 "[ . 1 .]" 1
26 1 92 THR H 1 92 THR MG 0.000 . 3.000 2.468 2.281 2.605 . 0 0 "[ . 1 .]" 1
27 1 92 THR HB 1 93 GLY H 0.000 . 3.000 2.701 2.584 2.865 . 0 0 "[ . 1 .]" 1
28 1 32 TYR QE 1 65 ILE MD 0.000 . 5.000 3.352 1.926 4.472 . 0 0 "[ . 1 .]" 1
29 1 19 TRP HH2 1 20 VAL QG 0.000 . 6.000 4.001 2.836 5.129 . 0 0 "[ . 1 .]" 1
30 1 81 VAL HA 1 82 LYS H 0.000 . 3.000 2.364 2.330 2.473 . 0 0 "[ . 1 .]" 1
31 1 82 LYS HA 1 83 VAL H 0.000 . 3.000 2.212 2.188 2.251 . 0 0 "[ . 1 .]" 1
32 1 83 VAL HA 1 84 ILE H 0.000 . 3.000 2.200 2.189 2.216 . 0 0 "[ . 1 .]" 1
33 1 84 ILE HA 1 85 LEU H 0.000 . 4.000 3.364 3.312 3.433 . 0 0 "[ . 1 .]" 1
34 1 80 LYS HA 1 81 VAL H 0.000 . 3.000 2.232 2.200 2.295 . 0 0 "[ . 1 .]" 1
35 1 79 ASN H 1 80 LYS H 0.000 . 5.000 4.552 4.531 4.563 . 0 0 "[ . 1 .]" 1
36 1 78 ASN HA 1 79 ASN H 0.000 . 4.000 3.139 3.067 3.219 . 0 0 "[ . 1 .]" 1
37 1 78 ASN H 1 79 ASN H 0.000 . 3.000 2.619 2.459 2.752 . 0 0 "[ . 1 .]" 1
38 1 81 VAL HA 1 124 LEU H 0.000 . 3.000 2.661 1.845 3.013 0.013 13 0 "[ . 1 .]" 1
39 1 123 LYS HA 1 124 LEU H 0.000 . 3.000 2.197 2.187 2.210 . 0 0 "[ . 1 .]" 1
40 1 122 GLY QA 1 123 LYS H 0.000 . 3.000 2.231 2.188 2.293 . 0 0 "[ . 1 .]" 1
41 1 121 LEU HA 1 122 GLY H 0.000 . 3.000 2.199 2.184 2.256 . 0 0 "[ . 1 .]" 1
42 1 120 PHE HA 1 121 LEU H 0.000 . 4.000 3.247 3.201 3.284 . 0 0 "[ . 1 .]" 1
43 1 95 LEU HA 1 96 LEU H 0.000 . 3.000 2.214 2.193 2.258 . 0 0 "[ . 1 .]" 1
44 1 94 VAL HA 1 95 LEU H 0.000 . 3.000 2.270 2.208 2.296 . 0 0 "[ . 1 .]" 1
45 1 91 ALA HA 1 92 THR H 0.000 . 3.000 2.272 2.233 2.310 . 0 0 "[ . 1 .]" 1
46 1 53 SER HA 1 54 VAL H 0.000 . 3.000 2.212 2.194 2.246 . 0 0 "[ . 1 .]" 1
47 1 52 CYS HA 1 53 SER H 0.000 . 3.000 2.437 2.244 2.667 . 0 0 "[ . 1 .]" 1
48 1 51 MET HA 1 52 CYS H 0.000 . 3.000 2.381 2.202 2.586 . 0 0 "[ . 1 .]" 1
49 1 45 ARG HA 1 46 SER H 0.000 . 4.000 3.565 3.514 3.589 . 0 0 "[ . 1 .]" 1
50 1 44 ILE HA 1 45 ARG H 0.000 . 3.000 2.195 2.190 2.205 . 0 0 "[ . 1 .]" 1
51 1 43 VAL HA 1 44 ILE H 0.000 . 3.000 2.287 2.260 2.318 . 0 0 "[ . 1 .]" 1
52 1 27 LYS HA 1 28 VAL H 0.000 . 3.000 2.335 2.190 2.567 . 0 0 "[ . 1 .]" 1
53 1 26 VAL HA 1 27 LYS H 0.000 . 3.000 2.420 2.289 2.534 . 0 0 "[ . 1 .]" 1
54 1 25 GLN HA 1 26 VAL H 0.000 . 3.000 2.287 2.214 2.533 . 0 0 "[ . 1 .]" 1
55 1 23 ASP HA 1 24 ILE H 0.000 . 4.000 3.321 3.281 3.354 . 0 0 "[ . 1 .]" 1
56 1 23 ASP H 1 24 ILE H 0.000 . 5.000 2.665 2.598 2.742 . 0 0 "[ . 1 .]" 1
57 1 73 ILE HA 1 74 THR H 0.000 . 3.000 2.224 2.187 2.272 . 0 0 "[ . 1 .]" 1
58 1 70 LEU HA 1 71 GLU H 0.000 . 3.000 2.296 2.259 2.388 . 0 0 "[ . 1 .]" 1
59 1 26 VAL HA 1 71 GLU H 0.000 . 6.000 4.298 3.761 4.788 . 0 0 "[ . 1 .]" 1
60 1 69 HIS HA 1 70 LEU H 0.000 . 4.000 3.262 3.139 3.338 . 0 0 "[ . 1 .]" 1
61 1 20 VAL QG 1 44 ILE MG 0.000 . 6.000 3.163 2.511 4.435 . 0 0 "[ . 1 .]" 1
62 1 23 ASP H 1 44 ILE MG 0.000 . 6.000 3.616 3.359 3.987 . 0 0 "[ . 1 .]" 1
63 1 21 THR H 1 44 ILE MG 0.000 . 6.000 4.309 3.846 4.710 . 0 0 "[ . 1 .]" 1
64 1 54 VAL QG 1 63 VAL MG2 0.000 . 6.000 2.972 1.583 3.856 . 0 0 "[ . 1 .]" 1
65 1 28 VAL HA 1 65 ILE QG 0.000 . 6.000 5.780 5.254 6.004 0.004 2 0 "[ . 1 .]" 1
66 1 54 VAL QG 1 65 ILE QG 0.000 . 6.000 3.060 1.852 4.286 . 0 0 "[ . 1 .]" 1
67 1 37 VAL MG1 1 65 ILE QG 0.000 . 6.000 4.257 3.718 4.662 . 0 0 "[ . 1 .]" 1
68 1 28 VAL QG 1 65 ILE QG 0.000 . 6.000 3.555 3.067 3.825 . 0 0 "[ . 1 .]" 1
69 1 20 VAL MG2 1 47 VAL QG 0.000 . 6.000 3.015 1.847 4.323 . 0 0 "[ . 1 .]" 1
70 1 20 VAL MG2 1 44 ILE MG 0.000 . 6.000 4.353 2.748 5.666 . 0 0 "[ . 1 .]" 1
71 1 20 VAL MG2 1 44 ILE MD 0.000 . 6.000 3.476 1.823 5.182 . 0 0 "[ . 1 .]" 1
72 1 20 VAL MG2 1 24 ILE MD 0.000 . 6.000 4.094 2.418 5.318 . 0 0 "[ . 1 .]" 1
73 1 95 LEU QD 1 98 ILE MD 0.000 . 3.000 2.091 1.655 2.815 . 0 0 "[ . 1 .]" 1
74 1 116 LEU QD 1 120 PHE QD 0.000 . 6.000 2.962 2.000 3.947 . 0 0 "[ . 1 .]" 1
75 1 19 TRP HD1 1 20 VAL H 0.000 . 6.000 4.115 3.086 5.153 . 0 0 "[ . 1 .]" 1
76 1 19 TRP HD1 1 20 VAL QG 0.000 . 5.000 4.233 3.371 5.008 0.008 14 0 "[ . 1 .]" 1
77 1 32 TYR QD 1 69 HIS HD2 0.000 . 6.000 4.303 3.848 5.621 . 0 0 "[ . 1 .]" 1
78 1 55 TYR QE 1 60 GLU H 0.000 . 6.000 3.897 3.762 3.988 . 0 0 "[ . 1 .]" 1
79 1 19 TRP HZ2 1 70 LEU H 0.000 . 6.000 4.649 4.164 5.254 . 0 0 "[ . 1 .]" 1
80 1 17 SER HA 1 19 TRP HD1 0.000 . 5.000 3.029 2.275 4.427 . 0 0 "[ . 1 .]" 1
81 1 17 SER HA 1 19 TRP HE1 0.000 . 5.000 4.268 2.947 4.970 . 0 0 "[ . 1 .]" 1
82 1 19 TRP HH2 1 70 LEU HB3 0.000 . 4.000 3.868 2.882 4.762 0.762 13 2 "[ . - 1 + .]" 1
83 1 19 TRP HH2 1 70 LEU HB2 0.000 . 5.000 3.980 2.706 5.007 0.007 11 0 "[ . 1 .]" 1
84 1 55 TYR QE 1 57 LYS HA 0.000 . 3.000 2.194 1.963 2.438 . 0 0 "[ . 1 .]" 1
85 1 57 LYS HA 1 60 GLU H 0.000 . 5.000 3.358 3.178 3.538 . 0 0 "[ . 1 .]" 1
86 1 60 GLU H 1 61 LYS H 0.000 . 3.000 2.722 2.614 2.822 . 0 0 "[ . 1 .]" 1
87 1 59 SER H 1 60 GLU H 0.000 . 3.000 2.422 2.292 2.545 . 0 0 "[ . 1 .]" 1
88 1 27 LYS H 1 73 ILE MD 0.000 . 5.000 3.304 2.769 4.033 . 0 0 "[ . 1 .]" 1
89 1 28 VAL H 1 73 ILE MD 0.000 . 6.000 5.299 4.752 5.766 . 0 0 "[ . 1 .]" 1
90 1 26 VAL H 1 73 ILE MD 0.000 . 6.000 3.998 3.034 4.884 . 0 0 "[ . 1 .]" 1
91 1 42 GLY H 1 73 ILE MD 0.000 . 5.000 4.396 3.472 5.003 0.003 11 0 "[ . 1 .]" 1
92 1 27 LYS H 1 73 ILE H 0.000 . 5.000 4.999 4.882 5.025 0.025 11 0 "[ . 1 .]" 1
93 1 77 LYS H 1 98 ILE MD 0.000 . 4.000 3.378 2.877 3.800 . 0 0 "[ . 1 .]" 1
94 1 19 TRP HZ3 1 24 ILE MD 0.000 . 5.000 3.450 2.518 4.730 . 0 0 "[ . 1 .]" 1
95 1 19 TRP HE3 1 24 ILE MD 0.000 . 5.000 4.143 3.071 4.999 . 0 0 "[ . 1 .]" 1
96 1 19 TRP H 1 20 VAL H 0.000 . 3.000 2.248 1.777 2.999 . 0 0 "[ . 1 .]" 1
97 1 19 TRP H 1 19 TRP HD1 0.000 . 4.000 2.798 2.079 3.538 . 0 0 "[ . 1 .]" 1
98 1 18 ASP HA 1 19 TRP H 0.000 . 3.000 2.645 2.189 3.044 0.044 10 0 "[ . 1 .]" 1
99 1 20 VAL HA 1 21 THR H 0.000 . 3.000 2.248 2.189 2.373 . 0 0 "[ . 1 .]" 1
100 1 21 THR HA 1 22 THR H 0.000 . 2.700 2.411 2.313 2.525 . 0 0 "[ . 1 .]" 1
101 1 23 ASP H 1 45 ARG HA 0.000 . 5.000 3.858 3.366 4.167 . 0 0 "[ . 1 .]" 1
102 1 23 ASP H 1 44 ILE HB 0.000 . 5.000 3.074 2.776 3.438 . 0 0 "[ . 1 .]" 1
103 1 24 ILE H 1 44 ILE H 0.000 . 5.000 3.599 3.222 4.011 . 0 0 "[ . 1 .]" 1
104 1 22 THR HB 1 24 ILE H 0.000 . 5.000 4.591 4.514 4.700 . 0 0 "[ . 1 .]" 1
105 1 27 LYS H 1 72 PRO HA 0.000 . 5.000 4.259 4.049 4.549 . 0 0 "[ . 1 .]" 1
106 1 29 ARG H 1 31 THR H 0.000 . 6.000 4.689 4.409 4.894 . 0 0 "[ . 1 .]" 1
107 1 36 GLN HA 1 37 VAL H 0.000 . 4.000 3.434 3.400 3.499 . 0 0 "[ . 1 .]" 1
108 1 25 GLN HA 1 42 GLY H 0.000 . 6.000 4.602 4.226 5.169 . 0 0 "[ . 1 .]" 1
109 1 28 VAL H 1 42 GLY H 0.000 . 6.000 5.070 4.530 5.382 . 0 0 "[ . 1 .]" 1
110 1 43 VAL H 1 55 TYR H 0.000 . 4.000 2.686 2.312 2.940 . 0 0 "[ . 1 .]" 1
111 1 26 VAL H 1 43 VAL H 0.000 . 5.000 4.934 4.753 5.012 0.012 7 0 "[ . 1 .]" 1
112 1 25 GLN HA 1 43 VAL H 0.000 . 6.000 4.893 4.462 5.074 . 0 0 "[ . 1 .]" 1
113 1 42 GLY HA2 1 43 VAL H 0.000 . 3.000 2.581 2.353 2.768 . 0 0 "[ . 1 .]" 1
114 1 42 GLY HA3 1 43 VAL H 0.000 . 3.000 2.644 2.465 2.928 . 0 0 "[ . 1 .]" 1
115 1 45 ARG H 1 53 SER H 0.000 . 5.000 4.500 4.172 4.693 . 0 0 "[ . 1 .]" 1
116 1 55 TYR HA 1 56 LEU H 0.000 . 3.000 2.214 2.204 2.236 . 0 0 "[ . 1 .]" 1
117 1 56 LEU HA 1 57 LYS H 0.000 . 3.000 2.192 2.183 2.197 . 0 0 "[ . 1 .]" 1
118 1 58 ASP H 1 60 GLU H 0.000 . 5.000 3.715 3.630 3.820 . 0 0 "[ . 1 .]" 1
119 1 59 SER H 1 61 LYS H 0.000 . 5.000 4.053 3.888 4.292 . 0 0 "[ . 1 .]" 1
120 1 56 LEU H 1 61 LYS H 0.000 . 5.000 3.504 3.081 3.799 . 0 0 "[ . 1 .]" 1
121 1 60 GLU HA 1 61 LYS H 0.000 . 4.000 3.057 2.861 3.266 . 0 0 "[ . 1 .]" 1
122 1 61 LYS HA 1 62 VAL H 0.000 . 3.000 2.543 2.369 2.659 . 0 0 "[ . 1 .]" 1
123 1 54 VAL H 1 63 VAL H 0.000 . 5.000 3.395 2.889 3.925 . 0 0 "[ . 1 .]" 1
124 1 62 VAL HA 1 63 VAL H 0.000 . 3.000 2.211 2.196 2.227 . 0 0 "[ . 1 .]" 1
125 1 63 VAL HA 1 64 SER H 0.000 . 3.000 2.326 2.283 2.387 . 0 0 "[ . 1 .]" 1
126 1 64 SER HA 1 65 ILE H 0.000 . 3.000 2.207 2.195 2.251 . 0 0 "[ . 1 .]" 1
127 1 65 ILE HA 1 66 SER H 0.000 . 3.000 2.252 2.212 2.284 . 0 0 "[ . 1 .]" 1
128 1 66 SER H 1 69 HIS H 0.000 . 6.000 4.085 3.887 4.320 . 0 0 "[ . 1 .]" 1
129 1 67 SER H 1 69 HIS H 0.000 . 6.000 4.198 4.097 4.304 . 0 0 "[ . 1 .]" 1
130 1 66 SER HA 1 67 SER H 0.000 . 3.000 2.301 2.217 2.353 . 0 0 "[ . 1 .]" 1
131 1 66 SER H 1 68 GLU H 0.000 . 6.000 5.075 4.918 5.255 . 0 0 "[ . 1 .]" 1
132 1 68 GLU H 1 70 LEU H 0.000 . 6.000 3.914 3.810 4.006 . 0 0 "[ . 1 .]" 1
133 1 69 HIS HD2 1 70 LEU H 0.000 . 6.000 5.529 5.414 5.709 . 0 0 "[ . 1 .]" 1
134 1 19 TRP HH2 1 70 LEU H 0.000 . 6.000 5.022 4.625 5.713 . 0 0 "[ . 1 .]" 1
135 1 67 SER HA 1 70 LEU H 0.000 . 6.000 3.063 2.908 3.184 . 0 0 "[ . 1 .]" 1
136 1 75 PRO HA 1 76 THR H 0.000 . 3.000 2.362 2.210 2.790 . 0 0 "[ . 1 .]" 1
137 1 76 THR HA 1 77 LYS H 0.000 . 3.000 2.409 2.315 2.477 . 0 0 "[ . 1 .]" 1
138 1 76 THR HB 1 77 LYS H 0.000 . 5.000 2.987 2.495 3.838 . 0 0 "[ . 1 .]" 1
139 1 81 VAL H 1 93 GLY H 0.000 . 5.000 2.866 2.348 3.304 . 0 0 "[ . 1 .]" 1
140 1 82 LYS H 1 124 LEU H 0.000 . 6.000 4.352 3.980 4.787 . 0 0 "[ . 1 .]" 1
141 1 84 ILE H 1 122 GLY H 0.000 . 6.000 3.744 3.340 3.959 . 0 0 "[ . 1 .]" 1
142 1 86 GLY H 1 89 ARG H 0.000 . 6.000 4.749 4.480 5.121 . 0 0 "[ . 1 .]" 1
143 1 85 LEU HA 1 86 GLY H 0.000 . 3.000 2.379 2.295 2.457 . 0 0 "[ . 1 .]" 1
144 1 81 VAL HA 1 93 GLY H 0.000 . 5.000 4.857 4.692 5.006 0.006 2 0 "[ . 1 .]" 1
145 1 97 SER HA 1 98 ILE H 0.000 . 3.000 2.587 2.382 2.797 . 0 0 "[ . 1 .]" 1
146 1 99 ASP HA 1 100 GLY H 0.000 . 3.000 2.221 2.177 2.293 . 0 0 "[ . 1 .]" 1
147 1 104 ILE HA 1 105 VAL H 0.000 . 3.000 2.206 2.191 2.227 . 0 0 "[ . 1 .]" 1
148 1 109 LEU H 1 111 GLU H 0.000 . 6.000 3.347 3.216 3.570 . 0 0 "[ . 1 .]" 1
149 1 107 MET H 1 112 GLN H 0.000 . 5.000 3.770 3.543 4.059 . 0 0 "[ . 1 .]" 1
150 1 107 MET H 1 113 LEU HA 0.000 . 4.000 3.442 2.985 3.998 . 0 0 "[ . 1 .]" 1
151 1 110 ASP H 1 111 GLU H 0.000 . 3.000 2.204 2.113 2.366 . 0 0 "[ . 1 .]" 1
152 1 110 ASP H 1 112 GLN H 0.000 . 4.000 3.472 3.354 3.810 . 0 0 "[ . 1 .]" 1
153 1 43 VAL H 1 54 VAL QG 0.000 . 3.000 2.766 2.177 2.979 . 0 0 "[ . 1 .]" 1
154 1 42 GLY H 1 54 VAL QG 0.000 . 5.000 3.597 3.341 3.856 . 0 0 "[ . 1 .]" 1
155 1 42 GLY QA 1 54 VAL QG 0.000 . 4.000 2.453 1.886 2.646 . 0 0 "[ . 1 .]" 1
156 1 43 VAL HA 1 54 VAL QG 0.000 . 5.000 3.417 2.868 3.760 . 0 0 "[ . 1 .]" 1
157 1 44 ILE HA 1 54 VAL QG 0.000 . 5.000 2.519 1.805 3.176 . 0 0 "[ . 1 .]" 1
158 1 54 VAL QG 1 56 LEU HA 0.000 . 5.000 3.799 3.636 4.068 . 0 0 "[ . 1 .]" 1
159 1 42 GLY H 1 56 LEU MD2 0.000 . 5.000 3.539 3.296 4.204 . 0 0 "[ . 1 .]" 1
160 1 56 LEU MD1 1 58 ASP H 0.000 . 5.000 1.894 1.728 2.003 . 0 0 "[ . 1 .]" 1
161 1 43 VAL H 1 56 LEU MD1 0.000 . 5.000 5.014 4.910 5.039 0.039 11 0 "[ . 1 .]" 1
162 1 41 THR H 1 56 LEU MD1 0.000 . 5.000 2.548 2.392 3.074 . 0 0 "[ . 1 .]" 1
163 1 37 VAL MG1 1 40 GLN H 0.000 . 5.000 3.457 3.233 3.572 . 0 0 "[ . 1 .]" 1
164 1 51 MET ME 1 66 SER H 0.000 . 4.000 2.698 2.053 3.378 . 0 0 "[ . 1 .]" 1
165 1 51 MET ME 1 65 ILE H 0.000 . 5.000 3.938 3.769 4.212 . 0 0 "[ . 1 .]" 1
166 1 17 SER H 1 18 ASP H 0.000 . 5.000 3.237 2.281 4.695 . 0 0 "[ . 1 .]" 1
167 1 19 TRP H 1 20 VAL QG 0.000 . 5.000 3.056 2.393 3.713 . 0 0 "[ . 1 .]" 1
168 1 18 ASP H 1 19 TRP HD1 0.000 . 5.000 3.905 2.443 4.820 . 0 0 "[ . 1 .]" 1
169 1 19 TRP HE3 1 20 VAL QG 0.000 . 5.000 4.089 3.206 4.571 . 0 0 "[ . 1 .]" 1
170 1 21 THR MG 1 23 ASP H 0.000 . 6.000 5.061 4.838 5.379 . 0 0 "[ . 1 .]" 1
171 1 20 VAL QG 1 21 THR MG 0.000 . 5.000 4.208 3.543 4.940 . 0 0 "[ . 1 .]" 1
172 1 22 THR MG 1 46 SER HA 0.000 . 4.000 2.245 1.812 3.100 . 0 0 "[ . 1 .]" 1
173 1 22 THR HB 1 23 ASP H 0.000 . 5.000 2.522 2.412 2.769 . 0 0 "[ . 1 .]" 1
174 1 24 ILE H 1 44 ILE MG 0.000 . 5.000 4.222 4.022 4.436 . 0 0 "[ . 1 .]" 1
175 1 26 VAL QG 1 44 ILE H 0.000 . 4.000 3.294 2.943 3.548 . 0 0 "[ . 1 .]" 1
176 1 81 VAL QG 1 93 GLY H 0.000 . 3.000 2.932 2.742 2.989 . 0 0 "[ . 1 .]" 1
177 1 84 ILE MG 1 122 GLY HA2 0.000 . 4.000 3.433 2.987 3.642 . 0 0 "[ . 1 .]" 1
178 1 84 ILE MG 1 122 GLY H 0.000 . 4.000 2.753 2.158 3.125 . 0 0 "[ . 1 .]" 1
179 1 116 LEU MD2 1 120 PHE QD 0.000 . 4.000 3.682 2.995 4.080 0.080 11 0 "[ . 1 .]" 1
180 1 78 ASN H 1 95 LEU H 0.000 . 6.000 3.998 3.380 4.573 . 0 0 "[ . 1 .]" 1
181 1 80 LYS HA 1 95 LEU H 0.000 . 6.000 3.633 3.259 4.102 . 0 0 "[ . 1 .]" 1
182 1 83 VAL H 1 92 THR MG 0.000 . 6.000 4.449 3.683 4.968 . 0 0 "[ . 1 .]" 1
183 1 82 LYS HA 1 92 THR MG 0.000 . 4.000 3.435 2.432 3.803 . 0 0 "[ . 1 .]" 1
184 1 82 LYS HA 1 92 THR H 0.000 . 5.000 4.737 4.408 4.973 . 0 0 "[ . 1 .]" 1
185 1 19 TRP HZ3 1 84 ILE MG 0.000 . 5.000 4.545 3.736 5.007 0.007 13 0 "[ . 1 .]" 1
186 1 24 ILE MG 1 82 LYS H 0.000 . 5.000 3.524 3.090 3.820 . 0 0 "[ . 1 .]" 1
187 1 24 ILE MG 1 122 GLY H 0.000 . 5.000 3.865 3.581 4.148 . 0 0 "[ . 1 .]" 1
188 1 24 ILE MG 1 121 LEU HA 0.000 . 6.000 5.658 5.328 5.943 . 0 0 "[ . 1 .]" 1
189 1 24 ILE MG 1 122 GLY HA2 0.000 . 4.000 4.002 3.989 4.009 0.009 12 0 "[ . 1 .]" 1
190 1 24 ILE MG 1 122 GLY HA3 0.000 . 4.000 2.485 2.419 2.572 . 0 0 "[ . 1 .]" 1
191 1 21 THR MG 1 84 ILE HA 0.000 . 5.000 2.819 2.263 3.434 . 0 0 "[ . 1 .]" 1
192 1 19 TRP HA 1 85 LEU H 0.000 . 6.000 5.592 4.856 5.986 . 0 0 "[ . 1 .]" 1
193 1 19 TRP HB2 1 84 ILE MD 0.000 . 3.000 2.534 1.721 3.003 0.003 3 0 "[ . 1 .]" 1
194 1 19 TRP HB3 1 84 ILE MD 0.000 . 5.000 4.040 2.997 4.587 . 0 0 "[ . 1 .]" 1
195 1 19 TRP HA 1 84 ILE MD 0.000 . 5.000 3.870 2.656 4.517 . 0 0 "[ . 1 .]" 1
196 1 19 TRP HA 1 84 ILE HB 0.000 . 5.000 3.862 3.034 4.582 . 0 0 "[ . 1 .]" 1
197 1 20 VAL HA 1 24 ILE MD 0.000 . 5.000 3.403 3.076 3.682 . 0 0 "[ . 1 .]" 1
198 1 20 VAL HA 1 44 ILE MD 0.000 . 5.000 3.985 3.531 4.249 . 0 0 "[ . 1 .]" 1
199 1 22 THR H 1 47 VAL QG 0.000 . 5.000 3.756 3.015 4.486 . 0 0 "[ . 1 .]" 1
200 1 22 THR H 1 44 ILE MG 0.000 . 5.000 4.158 3.758 4.466 . 0 0 "[ . 1 .]" 1
201 1 22 THR HA 1 23 ASP H 0.000 . 3.000 2.486 2.429 2.520 . 0 0 "[ . 1 .]" 1
202 1 22 THR HA 1 44 ILE MG 0.000 . 3.000 2.101 1.863 2.410 . 0 0 "[ . 1 .]" 1
203 1 22 THR HA 1 44 ILE HB 0.000 . 5.000 2.240 1.858 2.643 . 0 0 "[ . 1 .]" 1
204 1 25 GLN H 1 123 LYS H 0.000 . 4.000 3.752 3.252 4.004 0.004 12 0 "[ . 1 .]" 1
205 1 24 ILE HA 1 125 LEU H 0.000 . 4.000 3.843 3.571 3.990 . 0 0 "[ . 1 .]" 1
206 1 91 ALA MB 1 107 MET ME 0.000 . 4.000 2.398 2.045 2.590 . 0 0 "[ . 1 .]" 1
207 1 88 ASP HB3 1 91 ALA MB 0.000 . 4.000 2.599 2.317 2.942 . 0 0 "[ . 1 .]" 1
208 1 88 ASP HB2 1 91 ALA MB 0.000 . 4.000 3.763 3.413 3.997 . 0 0 "[ . 1 .]" 1
209 1 88 ASP HA 1 91 ALA MB 0.000 . 5.000 3.330 3.021 3.769 . 0 0 "[ . 1 .]" 1
210 1 83 VAL QG 1 91 ALA MB 0.000 . 3.000 2.073 1.688 2.508 . 0 0 "[ . 1 .]" 1
211 1 51 MET ME 1 65 ILE HA 0.000 . 4.000 3.095 2.338 3.722 . 0 0 "[ . 1 .]" 1
212 1 51 MET ME 1 66 SER HA 0.000 . 4.000 2.779 2.206 3.170 . 0 0 "[ . 1 .]" 1
213 1 51 MET ME 1 64 SER HA 0.000 . 5.000 4.731 4.492 5.002 0.002 11 0 "[ . 1 .]" 1
214 1 107 MET H 1 114 LYS QB 0.000 . 6.000 4.131 3.612 4.570 . 0 0 "[ . 1 .]" 1
215 1 107 MET H 1 113 LEU QD 0.000 . 5.000 4.286 3.502 4.797 . 0 0 "[ . 1 .]" 1
216 1 107 MET HA 1 108 ASP H 0.000 . 3.000 2.189 2.176 2.212 . 0 0 "[ . 1 .]" 1
217 1 95 LEU HA 1 106 ARG H 0.000 . 5.000 2.933 2.432 3.364 . 0 0 "[ . 1 .]" 1
218 1 95 LEU HA 1 97 SER H 0.000 . 5.000 3.745 3.407 3.868 . 0 0 "[ . 1 .]" 1
219 1 21 THR H 1 24 ILE MD 0.000 . 4.000 1.991 1.826 2.327 . 0 0 "[ . 1 .]" 1
220 1 21 THR H 1 44 ILE MD 0.000 . 4.000 3.044 2.640 3.329 . 0 0 "[ . 1 .]" 1
221 1 24 ILE H 1 44 ILE MD 0.000 . 5.000 3.796 3.135 4.146 . 0 0 "[ . 1 .]" 1
222 1 24 ILE H 1 44 ILE HB 0.000 . 3.000 2.930 2.819 3.004 0.004 11 0 "[ . 1 .]" 1
223 1 22 THR HA 1 24 ILE H 0.000 . 4.000 3.012 2.985 3.068 . 0 0 "[ . 1 .]" 1
224 1 75 PRO QG 1 95 LEU QD 0.000 . 5.000 2.650 1.907 2.986 . 0 0 "[ . 1 .]" 1
225 1 55 TYR QE 1 60 GLU HA 0.000 . 4.000 2.502 2.261 2.766 . 0 0 "[ . 1 .]" 1
226 1 55 TYR QD 1 57 LYS HA 0.000 . 4.000 3.170 3.066 3.285 . 0 0 "[ . 1 .]" 1
227 1 84 ILE H 1 85 LEU H 0.000 . 3.000 2.322 2.196 2.412 . 0 0 "[ . 1 .]" 1
228 1 83 VAL H 1 107 MET ME 0.000 . 4.000 3.991 3.896 4.019 0.019 15 0 "[ . 1 .]" 1
229 1 83 VAL H 1 89 ARG HA 0.000 . 5.000 4.498 4.135 4.776 . 0 0 "[ . 1 .]" 1
230 1 65 ILE MG 1 69 HIS HD2 0.000 . 5.000 3.685 3.284 4.441 . 0 0 "[ . 1 .]" 1
231 1 66 SER HB3 1 69 HIS HD2 0.000 . 4.000 3.207 1.996 3.792 . 0 0 "[ . 1 .]" 1
232 1 66 SER HB2 1 69 HIS HD2 0.000 . 4.000 2.818 1.863 3.925 . 0 0 "[ . 1 .]" 1
233 1 66 SER H 1 69 HIS HD2 0.000 . 4.000 3.119 2.588 3.791 . 0 0 "[ . 1 .]" 1
234 1 56 LEU MD2 1 65 ILE MD 0.000 . 5.000 3.267 2.886 3.754 . 0 0 "[ . 1 .]" 1
235 1 42 GLY QA 1 56 LEU MD2 0.000 . 4.000 2.340 2.093 2.687 . 0 0 "[ . 1 .]" 1
236 1 56 LEU MD2 1 57 LYS H 0.000 . 4.000 3.617 3.501 3.753 . 0 0 "[ . 1 .]" 1
237 1 57 LYS H 1 58 ASP H 0.000 . 3.000 2.728 2.597 2.837 . 0 0 "[ . 1 .]" 1
238 1 42 GLY QA 1 57 LYS H 0.000 . 3.000 2.102 1.989 2.497 . 0 0 "[ . 1 .]" 1
239 1 42 GLY HA3 1 54 VAL QG 0.000 . 3.000 2.488 1.906 2.692 . 0 0 "[ . 1 .]" 1
240 1 42 GLY HA2 1 54 VAL QG 0.000 . 4.000 3.732 2.994 3.970 . 0 0 "[ . 1 .]" 1
241 1 26 VAL QG 1 54 VAL QG 0.000 . 3.000 1.937 1.479 2.507 . 0 0 "[ . 1 .]" 1
242 1 21 THR MG 1 24 ILE MD 0.000 . 4.000 2.465 1.603 3.484 . 0 0 "[ . 1 .]" 1
243 1 21 THR MG 1 24 ILE QG 0.000 . 4.000 2.721 1.785 3.923 . 0 0 "[ . 1 .]" 1
244 1 28 VAL H 1 41 THR HA 0.000 . 4.000 3.733 3.425 3.927 . 0 0 "[ . 1 .]" 1
245 1 28 VAL H 1 28 VAL QG 0.000 . 3.000 2.477 1.788 2.756 . 0 0 "[ . 1 .]" 1
246 1 27 LYS HA 1 28 VAL QG 0.000 . 4.000 3.711 3.285 3.909 . 0 0 "[ . 1 .]" 1
247 1 88 ASP QB 1 107 MET ME 0.000 . 5.000 3.450 3.053 3.967 . 0 0 "[ . 1 .]" 1
248 1 105 VAL QG 1 107 MET ME 0.000 . 5.000 3.167 2.754 3.635 . 0 0 "[ . 1 .]" 1
249 1 98 ILE MG 1 105 VAL QG 0.000 . 4.000 3.964 3.936 3.997 . 0 0 "[ . 1 .]" 1
250 1 95 LEU HA 1 105 VAL QG 0.000 . 4.000 2.840 2.029 3.386 . 0 0 "[ . 1 .]" 1
251 1 28 VAL H 1 38 VAL HA 0.000 . 5.000 4.965 4.810 5.017 0.017 14 0 "[ . 1 .]" 1
252 1 28 VAL HA 1 29 ARG H 0.000 . 3.000 2.197 2.191 2.219 . 0 0 "[ . 1 .]" 1
253 1 29 ARG H 1 70 LEU HA 0.000 . 4.000 3.585 3.261 3.953 . 0 0 "[ . 1 .]" 1
254 1 29 ARG HA 1 30 ASP H 0.000 . 3.000 2.339 2.282 2.487 . 0 0 "[ . 1 .]" 1
255 1 30 ASP H 1 31 THR H 0.000 . 3.000 2.695 2.554 2.935 . 0 0 "[ . 1 .]" 1
256 1 31 THR H 1 32 TYR H 0.000 . 3.000 2.529 2.384 2.695 . 0 0 "[ . 1 .]" 1
257 1 29 ARG QB 1 31 THR H 0.000 . 4.000 2.398 2.345 2.527 . 0 0 "[ . 1 .]" 1
258 1 29 ARG QD 1 31 THR H 0.000 . 5.000 4.577 4.280 4.811 . 0 0 "[ . 1 .]" 1
259 1 30 ASP HA 1 32 TYR H 0.000 . 5.000 3.423 3.334 3.584 . 0 0 "[ . 1 .]" 1
260 1 28 VAL QG 1 32 TYR H 0.000 . 4.000 3.501 3.261 3.968 . 0 0 "[ . 1 .]" 1
261 1 34 ASP HA 1 35 THR H 0.000 . 3.000 2.263 2.194 2.376 . 0 0 "[ . 1 .]" 1
262 1 35 THR H 1 36 GLN H 0.000 . 3.000 2.601 2.479 2.672 . 0 0 "[ . 1 .]" 1
263 1 34 ASP QB 1 36 GLN H 0.000 . 5.000 3.599 3.016 4.014 . 0 0 "[ . 1 .]" 1
264 1 34 ASP HA 1 36 GLN H 0.000 . 5.000 3.340 3.181 3.564 . 0 0 "[ . 1 .]" 1
265 1 36 GLN H 1 37 VAL H 0.000 . 3.000 2.528 2.479 2.645 . 0 0 "[ . 1 .]" 1
266 1 34 ASP QB 1 37 VAL H 0.000 . 5.000 3.032 2.755 3.410 . 0 0 "[ . 1 .]" 1
267 1 35 THR HA 1 37 VAL H 0.000 . 5.000 3.640 3.407 3.866 . 0 0 "[ . 1 .]" 1
268 1 37 VAL H 1 38 VAL H 0.000 . 3.000 2.197 1.867 2.290 . 0 0 "[ . 1 .]" 1
269 1 35 THR HA 1 38 VAL H 0.000 . 4.000 3.123 2.670 3.261 . 0 0 "[ . 1 .]" 1
270 1 32 TYR QD 1 37 VAL H 0.000 . 5.000 3.703 3.058 4.388 . 0 0 "[ . 1 .]" 1
271 1 32 TYR QD 1 69 HIS HB3 0.000 . 4.000 2.444 1.868 3.536 . 0 0 "[ . 1 .]" 1
272 1 28 VAL QG 1 32 TYR QD 0.000 . 6.000 2.555 2.230 2.822 . 0 0 "[ . 1 .]" 1
273 1 32 TYR QD 1 37 VAL HB 0.000 . 4.000 2.490 1.846 3.166 . 0 0 "[ . 1 .]" 1
274 1 37 VAL H 1 37 VAL HB 0.000 . 3.000 2.523 2.427 2.630 . 0 0 "[ . 1 .]" 1
275 1 110 ASP HA 1 112 GLN H 0.000 . 6.000 4.174 4.133 4.281 . 0 0 "[ . 1 .]" 1
276 1 111 GLU H 1 112 GLN H 0.000 . 3.000 2.659 2.577 2.708 . 0 0 "[ . 1 .]" 1
277 1 109 LEU QB 1 110 ASP H 0.000 . 3.000 2.295 2.224 2.492 . 0 0 "[ . 1 .]" 1
278 1 107 MET ME 1 108 ASP H 0.000 . 5.000 3.984 3.091 4.561 . 0 0 "[ . 1 .]" 1
279 1 93 GLY QA 1 108 ASP H 0.000 . 3.000 1.806 1.714 1.900 . 0 0 "[ . 1 .]" 1
280 1 96 LEU H 1 97 SER H 0.000 . 5.000 2.215 1.867 2.608 . 0 0 "[ . 1 .]" 1
281 1 97 SER H 1 105 VAL HA 0.000 . 5.000 3.615 3.415 3.844 . 0 0 "[ . 1 .]" 1
282 1 77 LYS HA 1 78 ASN H 0.000 . 3.000 2.300 2.235 2.356 . 0 0 "[ . 1 .]" 1
283 1 77 LYS HA 1 79 ASN H 0.000 . 4.000 3.229 3.173 3.296 . 0 0 "[ . 1 .]" 1
284 1 77 LYS HA 1 95 LEU QD 0.000 . 4.000 2.296 1.738 2.666 . 0 0 "[ . 1 .]" 1
285 1 78 ASN HA 1 94 VAL QG 0.000 . 4.000 2.715 2.223 3.177 . 0 0 "[ . 1 .]" 1
286 1 76 THR MG 1 79 ASN HD21 0.000 . 5.000 4.102 1.917 4.769 . 0 0 "[ . 1 .]" 1
287 1 76 THR MG 1 79 ASN HD22 0.000 . 5.000 4.541 3.203 5.007 0.007 15 0 "[ . 1 .]" 1
288 1 76 THR HA 1 95 LEU QD 0.000 . 5.000 3.339 2.723 3.928 . 0 0 "[ . 1 .]" 1
289 1 76 THR HA 1 98 ILE MD 0.000 . 4.000 3.520 2.933 4.002 0.002 15 0 "[ . 1 .]" 1
290 1 24 ILE H 1 24 ILE MG 0.000 . 3.000 2.656 2.453 2.947 . 0 0 "[ . 1 .]" 1
291 1 26 VAL HA 1 73 ILE H 0.000 . 4.000 3.322 2.756 3.901 . 0 0 "[ . 1 .]" 1
292 1 26 VAL QG 1 73 ILE H 0.000 . 5.000 3.510 2.439 4.665 . 0 0 "[ . 1 .]" 1
293 1 38 VAL HA 1 39 GLY H 0.000 . 3.000 2.217 2.190 2.310 . 0 0 "[ . 1 .]" 1
294 1 28 VAL HB 1 39 GLY H 0.000 . 4.000 2.905 2.418 4.013 0.013 12 0 "[ . 1 .]" 1
295 1 28 VAL QG 1 39 GLY H 0.000 . 3.000 2.774 1.593 2.972 . 0 0 "[ . 1 .]" 1
296 1 40 GLN HA 1 41 THR H 0.000 . 3.000 2.303 2.224 2.393 . 0 0 "[ . 1 .]" 1
297 1 42 GLY HA3 1 56 LEU MD2 0.000 . 3.000 2.392 2.128 2.796 . 0 0 "[ . 1 .]" 1
298 1 42 GLY HA2 1 56 LEU MD2 0.000 . 4.000 3.344 3.107 3.691 . 0 0 "[ . 1 .]" 1
299 1 40 GLN QB 1 56 LEU MD2 0.000 . 4.000 2.233 2.024 2.535 . 0 0 "[ . 1 .]" 1
300 1 40 GLN QG 1 56 LEU MD2 0.000 . 5.000 3.911 3.185 4.238 . 0 0 "[ . 1 .]" 1
301 1 41 THR HA 1 56 LEU MD2 0.000 . 6.000 3.713 3.481 4.532 . 0 0 "[ . 1 .]" 1
302 1 41 THR H 1 56 LEU MD2 0.000 . 5.000 3.834 3.575 4.250 . 0 0 "[ . 1 .]" 1
303 1 43 VAL H 1 56 LEU MD2 0.000 . 5.000 4.553 4.299 4.975 . 0 0 "[ . 1 .]" 1
304 1 52 CYS H 1 65 ILE H 0.000 . 4.000 3.295 2.932 3.575 . 0 0 "[ . 1 .]" 1
305 1 53 SER HA 1 65 ILE H 0.000 . 4.000 3.341 2.774 3.679 . 0 0 "[ . 1 .]" 1
306 1 54 VAL QG 1 65 ILE H 0.000 . 4.000 3.315 2.639 3.924 . 0 0 "[ . 1 .]" 1
307 1 54 VAL H 1 65 ILE H 0.000 . 4.000 3.593 3.091 3.997 . 0 0 "[ . 1 .]" 1
308 1 63 VAL HB 1 64 SER H 0.000 . 3.000 2.822 2.659 2.941 . 0 0 "[ . 1 .]" 1
309 1 63 VAL MG1 1 64 SER H 0.000 . 4.000 3.963 3.914 4.025 0.025 7 0 "[ . 1 .]" 1
310 1 55 TYR QD 1 61 LYS H 0.000 . 5.000 4.636 4.121 4.914 . 0 0 "[ . 1 .]" 1
311 1 98 ILE HA 1 99 ASP H 0.000 . 3.000 2.274 2.259 2.303 . 0 0 "[ . 1 .]" 1
312 1 98 ILE MG 1 99 ASP H 0.000 . 3.000 2.562 2.290 2.870 . 0 0 "[ . 1 .]" 1
313 1 99 ASP H 1 104 ILE MD 0.000 . 5.000 4.190 3.536 4.992 . 0 0 "[ . 1 .]" 1
314 1 99 ASP H 1 118 LEU QD 0.000 . 5.000 3.969 3.340 4.426 . 0 0 "[ . 1 .]" 1
315 1 98 ILE MG 1 100 GLY H 0.000 . 5.000 4.941 4.681 5.029 0.029 13 0 "[ . 1 .]" 1
316 1 104 ILE HA 1 115 ILE HA 0.000 . 3.000 2.042 1.867 2.391 . 0 0 "[ . 1 .]" 1
317 1 104 ILE HA 1 116 LEU H 0.000 . 4.000 3.097 2.660 3.517 . 0 0 "[ . 1 .]" 1
318 1 105 VAL H 1 105 VAL HB 0.000 . 4.000 3.578 2.421 3.901 . 0 0 "[ . 1 .]" 1
319 1 104 ILE MG 1 105 VAL H 0.000 . 4.000 2.589 2.339 2.846 . 0 0 "[ . 1 .]" 1
320 1 105 VAL HA 1 106 ARG H 0.000 . 3.000 2.348 2.251 2.436 . 0 0 "[ . 1 .]" 1
321 1 96 LEU H 1 106 ARG H 0.000 . 5.000 3.159 2.490 3.729 . 0 0 "[ . 1 .]" 1
322 1 94 VAL H 1 108 ASP H 0.000 . 3.000 2.977 2.793 3.030 0.030 13 0 "[ . 1 .]" 1
323 1 107 MET HA 1 109 LEU H 0.000 . 6.000 3.521 3.393 3.712 . 0 0 "[ . 1 .]" 1
324 1 113 LEU HA 1 114 LYS H 0.000 . 3.000 2.257 2.215 2.292 . 0 0 "[ . 1 .]" 1
325 1 104 ILE MG 1 114 LYS H 0.000 . 5.000 3.278 3.011 3.689 . 0 0 "[ . 1 .]" 1
326 1 101 GLU H 1 102 ASP H 0.000 . 3.000 2.206 1.960 2.325 . 0 0 "[ . 1 .]" 1
327 1 98 ILE MG 1 101 GLU H 0.000 . 6.000 5.692 5.393 5.940 . 0 0 "[ . 1 .]" 1
328 1 100 GLY H 1 102 ASP H 0.000 . 5.000 4.768 4.291 5.030 0.030 13 0 "[ . 1 .]" 1
329 1 29 ARG HA 1 32 TYR H 0.000 . 6.000 4.885 4.608 5.273 . 0 0 "[ . 1 .]" 1
330 1 32 TYR QD 1 38 VAL MG2 0.000 . 5.000 3.339 2.596 3.830 . 0 0 "[ . 1 .]" 1
331 1 32 TYR H 1 38 VAL MG2 0.000 . 5.000 2.938 2.103 3.118 . 0 0 "[ . 1 .]" 1
332 1 30 ASP HA 1 38 VAL MG2 0.000 . 4.000 2.234 1.907 3.004 . 0 0 "[ . 1 .]" 1
333 1 35 THR HA 1 38 VAL MG2 0.000 . 3.000 1.789 1.732 1.865 . 0 0 "[ . 1 .]" 1
334 1 35 THR HA 1 38 VAL HB 0.000 . 3.000 2.847 2.167 3.005 0.005 6 0 "[ . 1 .]" 1
335 1 28 VAL QG 1 38 VAL HA 0.000 . 5.000 1.919 1.597 2.079 . 0 0 "[ . 1 .]" 1
336 1 28 VAL HB 1 38 VAL HA 0.000 . 3.000 2.953 2.695 3.106 0.106 14 0 "[ . 1 .]" 1
337 1 75 PRO QB 1 95 LEU QD 0.000 . 3.000 2.831 2.068 2.988 . 0 0 "[ . 1 .]" 1
338 1 78 ASN H 1 95 LEU QD 0.000 . 5.000 3.712 2.057 4.133 . 0 0 "[ . 1 .]" 1
339 1 112 GLN HA 1 113 LEU H 0.000 . 2.700 2.306 2.236 2.388 . 0 0 "[ . 1 .]" 1
340 1 115 ILE HA 1 116 LEU H 0.000 . 3.000 2.216 2.193 2.240 . 0 0 "[ . 1 .]" 1
341 1 105 VAL H 1 115 ILE HA 0.000 . 5.000 2.813 2.207 3.212 . 0 0 "[ . 1 .]" 1
342 1 104 ILE HA 1 115 ILE MG 0.000 . 4.000 3.011 2.581 3.339 . 0 0 "[ . 1 .]" 1
343 1 112 GLN H 1 113 LEU H 0.000 . 5.000 4.640 4.621 4.652 . 0 0 "[ . 1 .]" 1
344 1 107 MET H 1 114 LYS H 0.000 . 5.000 4.169 3.887 4.517 . 0 0 "[ . 1 .]" 1
345 1 106 ARG HA 1 113 LEU HA 0.000 . 4.000 2.141 1.855 2.552 . 0 0 "[ . 1 .]" 1
346 1 92 THR HA 1 93 GLY H 0.000 . 3.000 2.386 2.316 2.453 . 0 0 "[ . 1 .]" 1
347 1 82 LYS HA 1 92 THR HA 0.000 . 3.000 2.195 2.039 2.466 . 0 0 "[ . 1 .]" 1
348 1 83 VAL H 1 92 THR HA 0.000 . 4.000 3.487 2.933 3.854 . 0 0 "[ . 1 .]" 1
349 1 81 VAL QG 1 92 THR HA 0.000 . 5.000 4.002 3.263 4.441 . 0 0 "[ . 1 .]" 1
350 1 103 GLY QA 1 118 LEU QD 0.000 . 4.000 2.338 1.804 3.957 . 0 0 "[ . 1 .]" 1
351 1 118 LEU HA 1 120 PHE H 0.000 . 4.000 3.668 3.541 3.806 . 0 0 "[ . 1 .]" 1
352 1 118 LEU HA 1 121 LEU H 0.000 . 4.000 3.075 2.896 3.244 . 0 0 "[ . 1 .]" 1
353 1 119 ARG HA 1 121 LEU H 0.000 . 4.000 3.913 3.825 4.017 0.017 13 0 "[ . 1 .]" 1
354 1 103 GLY HA2 1 104 ILE H 0.000 . 3.000 2.251 2.187 2.575 . 0 0 "[ . 1 .]" 1
355 1 75 PRO QD 1 123 LYS H 0.000 . 5.000 3.222 2.863 3.715 . 0 0 "[ . 1 .]" 1
356 1 24 ILE HA 1 123 LYS H 0.000 . 5.000 4.729 4.483 4.947 . 0 0 "[ . 1 .]" 1
357 1 24 ILE HB 1 123 LYS H 0.000 . 5.000 3.667 3.376 3.936 . 0 0 "[ . 1 .]" 1
358 1 24 ILE MG 1 123 LYS H 0.000 . 5.000 4.244 3.904 4.616 . 0 0 "[ . 1 .]" 1
359 1 75 PRO HA 1 123 LYS H 0.000 . 5.000 4.503 4.108 4.892 . 0 0 "[ . 1 .]" 1
360 1 81 VAL HA 1 123 LYS HA 0.000 . 4.000 2.859 2.694 3.015 . 0 0 "[ . 1 .]" 1
361 1 81 VAL HA 1 123 LYS QB 0.000 . 5.000 4.886 4.729 5.000 . 12 0 "[ . 1 .]" 1
362 1 38 VAL H 1 38 VAL HB 0.000 . 3.000 2.339 2.257 2.387 . 0 0 "[ . 1 .]" 1
363 1 43 VAL H 1 43 VAL HB 0.000 . 3.000 2.612 2.530 2.707 . 0 0 "[ . 1 .]" 1
364 1 81 VAL HB 1 82 LYS H 0.000 . 3.000 2.820 2.718 3.086 0.086 15 0 "[ . 1 .]" 1
365 1 83 VAL H 1 83 VAL HB 0.000 . 3.000 2.619 2.503 2.867 . 0 0 "[ . 1 .]" 1
366 1 97 SER H 1 104 ILE HB 0.000 . 4.000 3.713 3.294 4.014 0.014 9 0 "[ . 1 .]" 1
367 1 97 SER H 1 104 ILE MD 0.000 . 5.000 4.899 4.679 5.009 0.009 1 0 "[ . 1 .]" 1
368 1 97 SER H 1 104 ILE H 0.000 . 5.000 4.675 4.261 4.988 . 0 0 "[ . 1 .]" 1
369 1 95 LEU HA 1 105 VAL HA 0.000 . 4.000 2.451 1.935 3.003 . 0 0 "[ . 1 .]" 1
370 1 80 LYS HA 1 94 VAL HA 0.000 . 3.000 2.291 2.044 2.596 . 0 0 "[ . 1 .]" 1
371 1 98 ILE HA 1 103 GLY HA2 0.000 . 3.000 2.202 1.827 3.046 0.046 11 0 "[ . 1 .]" 1
372 1 98 ILE HA 1 103 GLY HA3 0.000 . 4.000 3.168 1.562 3.806 . 0 0 "[ . 1 .]" 1
373 1 98 ILE HA 1 104 ILE H 0.000 . 4.000 2.167 1.848 3.308 . 0 0 "[ . 1 .]" 1
374 1 98 ILE MG 1 103 GLY H 0.000 . 5.000 3.684 3.223 4.044 . 0 0 "[ . 1 .]" 1
375 1 103 GLY H 1 115 ILE MG 0.000 . 5.000 3.520 2.960 4.347 . 0 0 "[ . 1 .]" 1
376 1 98 ILE HA 1 103 GLY H 0.000 . 5.000 4.794 4.091 5.022 0.022 3 0 "[ . 1 .]" 1
377 1 115 ILE H 1 115 ILE HB 0.000 . 3.000 2.590 2.556 2.688 . 0 0 "[ . 1 .]" 1
378 1 107 MET QB 1 110 ASP H 0.000 . 4.000 2.386 2.054 2.791 . 0 0 "[ . 1 .]" 1
379 1 109 LEU HG 1 110 ASP H 0.000 . 4.000 3.532 3.192 4.001 0.001 5 0 "[ . 1 .]" 1
380 1 109 LEU MD1 1 110 ASP H 0.000 . 5.000 4.360 4.196 4.491 . 0 0 "[ . 1 .]" 1
381 1 109 LEU MD2 1 110 ASP H 0.000 . 5.000 3.958 3.652 4.521 . 0 0 "[ . 1 .]" 1
382 1 82 LYS QE 1 90 GLU HA 0.000 . 4.000 1.827 1.723 1.945 . 0 0 "[ . 1 .]" 1
383 1 81 VAL QG 1 94 VAL HA 0.000 . 4.000 3.206 2.974 3.434 . 0 0 "[ . 1 .]" 1
384 1 115 ILE MG 1 116 LEU H 0.000 . 3.000 2.513 2.140 2.939 . 0 0 "[ . 1 .]" 1
385 1 105 VAL QG 1 116 LEU H 0.000 . 4.000 3.383 2.824 3.655 . 0 0 "[ . 1 .]" 1
386 1 105 VAL H 1 105 VAL QG 0.000 . 3.000 2.245 1.939 2.907 . 0 0 "[ . 1 .]" 1
387 1 102 ASP HA 1 118 LEU H 0.000 . 4.000 3.734 2.226 4.012 0.012 15 0 "[ . 1 .]" 1
388 1 102 ASP HA 1 103 GLY H 0.000 . 3.000 2.400 2.191 3.004 0.004 1 0 "[ . 1 .]" 1
389 1 118 LEU H 1 119 ARG H 0.000 . 3.000 2.649 2.539 2.836 . 0 0 "[ . 1 .]" 1
390 1 103 GLY H 1 118 LEU H 0.000 . 5.000 3.659 3.088 4.497 . 0 0 "[ . 1 .]" 1
391 1 106 ARG QD 1 111 GLU QG 0.000 . 5.000 3.773 2.185 4.855 . 0 0 "[ . 1 .]" 1
392 1 106 ARG QD 1 111 GLU QB 0.000 . 5.000 4.078 2.774 4.997 . 0 0 "[ . 1 .]" 1
393 1 106 ARG QD 1 111 GLU H 0.000 . 6.000 5.383 4.619 5.995 . 0 0 "[ . 1 .]" 1
394 1 117 ASN H 1 120 PHE QD 0.000 . 4.000 3.120 2.546 3.547 . 0 0 "[ . 1 .]" 1
395 1 117 ASN H 1 120 PHE QE 0.000 . 5.000 4.352 3.794 4.807 . 0 0 "[ . 1 .]" 1
396 1 116 LEU HA 1 117 ASN H 0.000 . 3.000 2.267 2.237 2.282 . 0 0 "[ . 1 .]" 1
397 1 115 ILE MG 1 117 ASN H 0.000 . 5.000 4.622 4.508 4.790 . 0 0 "[ . 1 .]" 1
398 1 117 ASN H 1 120 PHE HB2 0.000 . 5.000 3.908 3.444 4.342 . 0 0 "[ . 1 .]" 1
399 1 117 ASN QB 1 119 ARG H 0.000 . 4.000 2.722 2.379 3.151 . 0 0 "[ . 1 .]" 1
400 1 119 ARG H 1 120 PHE H 0.000 . 3.000 2.618 2.542 2.692 . 0 0 "[ . 1 .]" 1
401 1 120 PHE H 1 121 LEU H 0.000 . 3.000 2.259 2.189 2.350 . 0 0 "[ . 1 .]" 1
402 1 117 ASN QB 1 120 PHE H 0.000 . 4.000 3.064 2.727 3.322 . 0 0 "[ . 1 .]" 1
403 1 84 ILE MD 1 121 LEU H 0.000 . 5.000 4.155 3.928 4.535 . 0 0 "[ . 1 .]" 1
404 1 81 VAL QG 1 122 GLY H 0.000 . 5.000 3.758 2.341 4.166 . 0 0 "[ . 1 .]" 1
405 1 24 ILE MD 1 123 LYS H 0.000 . 5.000 4.669 3.931 4.908 . 0 0 "[ . 1 .]" 1
406 1 82 LYS H 1 122 GLY HA2 0.000 . 5.000 4.479 4.353 4.568 . 0 0 "[ . 1 .]" 1
407 1 82 LYS H 1 121 LEU QB 0.000 . 5.000 4.522 3.845 4.853 . 0 0 "[ . 1 .]" 1
408 1 84 ILE MD 1 122 GLY HA2 0.000 . 5.000 4.150 3.886 4.742 . 0 0 "[ . 1 .]" 1
409 1 25 GLN HA 1 43 VAL MG2 0.000 . 4.000 3.129 2.756 3.499 . 0 0 "[ . 1 .]" 1
410 1 25 GLN HA 1 43 VAL HA 0.000 . 3.000 2.256 1.900 2.573 . 0 0 "[ . 1 .]" 1
411 1 25 GLN HA 1 44 ILE H 0.000 . 4.000 3.479 3.085 3.952 . 0 0 "[ . 1 .]" 1
412 1 43 VAL MG2 1 125 LEU HB3 0.000 . 4.000 2.789 1.852 3.726 . 0 0 "[ . 1 .]" 1
413 1 43 VAL MG2 1 125 LEU HB2 0.000 . 4.000 2.617 1.869 3.293 . 0 0 "[ . 1 .]" 1
414 1 43 VAL H 1 56 LEU HA 0.000 . 4.000 3.857 3.707 4.022 0.022 15 0 "[ . 1 .]" 1
415 1 22 THR HA 1 44 ILE H 0.000 . 5.000 4.432 4.054 4.881 . 0 0 "[ . 1 .]" 1
416 1 45 ARG H 1 46 SER H 0.000 . 3.000 2.472 2.220 2.750 . 0 0 "[ . 1 .]" 1
417 1 45 ARG H 1 54 VAL HA 0.000 . 4.000 2.762 2.396 3.165 . 0 0 "[ . 1 .]" 1
418 1 44 ILE MG 1 45 ARG H 0.000 . 3.000 2.866 2.664 3.001 0.001 6 0 "[ . 1 .]" 1
419 1 46 SER H 1 53 SER QB 0.000 . 3.000 2.274 1.870 2.875 . 0 0 "[ . 1 .]" 1
420 1 44 ILE MG 1 46 SER H 0.000 . 3.000 2.818 2.400 3.004 0.004 11 0 "[ . 1 .]" 1
421 1 46 SER HA 1 47 VAL H 0.000 . 3.000 2.413 2.259 2.531 . 0 0 "[ . 1 .]" 1
422 1 22 THR MG 1 47 VAL H 0.000 . 4.000 2.922 2.319 3.631 . 0 0 "[ . 1 .]" 1
423 1 47 VAL HA 1 48 THR H 0.000 . 3.000 2.253 2.212 2.333 . 0 0 "[ . 1 .]" 1
424 1 47 VAL HA 1 52 CYS HA 0.000 . 3.000 2.250 1.870 2.664 . 0 0 "[ . 1 .]" 1
425 1 21 THR HA 1 47 VAL QG 0.000 . 4.000 3.367 2.643 3.911 . 0 0 "[ . 1 .]" 1
426 1 44 ILE MG 1 53 SER H 0.000 . 4.000 3.336 3.097 3.696 . 0 0 "[ . 1 .]" 1
427 1 47 VAL HA 1 53 SER H 0.000 . 4.000 2.921 2.530 3.274 . 0 0 "[ . 1 .]" 1
428 1 22 THR MG 1 47 VAL QG 0.000 . 4.000 2.149 1.579 3.807 . 0 0 "[ . 1 .]" 1
429 1 44 ILE MG 1 52 CYS QB 0.000 . 4.000 3.010 2.392 3.880 . 0 0 "[ . 1 .]" 1
430 1 54 VAL H 1 64 SER HA 0.000 . 3.000 2.815 2.416 2.995 . 0 0 "[ . 1 .]" 1
431 1 54 VAL H 1 54 VAL HB 0.000 . 3.000 2.799 2.552 3.010 0.010 6 0 "[ . 1 .]" 1
432 1 54 VAL HA 1 55 TYR H 0.000 . 3.000 2.209 2.193 2.232 . 0 0 "[ . 1 .]" 1
433 1 43 VAL HB 1 55 TYR H 0.000 . 4.000 3.556 3.327 3.770 . 0 0 "[ . 1 .]" 1
434 1 45 ARG H 1 55 TYR H 0.000 . 5.000 3.675 3.295 3.906 . 0 0 "[ . 1 .]" 1
435 1 44 ILE HA 1 55 TYR H 0.000 . 5.000 3.486 3.313 3.839 . 0 0 "[ . 1 .]" 1
436 1 56 LEU H 1 63 VAL H 0.000 . 4.000 3.903 3.666 4.010 0.010 4 0 "[ . 1 .]" 1
437 1 56 LEU H 1 62 VAL HA 0.000 . 4.000 3.229 2.985 3.590 . 0 0 "[ . 1 .]" 1
438 1 58 ASP H 1 59 SER H 0.000 . 3.000 2.729 2.673 2.782 . 0 0 "[ . 1 .]" 1
439 1 56 LEU QB 1 59 SER H 0.000 . 4.000 2.259 2.064 2.603 . 0 0 "[ . 1 .]" 1
440 1 56 LEU MD1 1 59 SER H 0.000 . 4.000 2.112 1.776 2.750 . 0 0 "[ . 1 .]" 1
441 1 56 LEU QB 1 61 LYS H 0.000 . 4.000 3.096 2.746 3.407 . 0 0 "[ . 1 .]" 1
442 1 59 SER QB 1 61 LYS H 0.000 . 4.000 2.886 2.170 3.853 . 0 0 "[ . 1 .]" 1
443 1 55 TYR QD 1 62 VAL H 0.000 . 5.000 4.026 3.674 4.343 . 0 0 "[ . 1 .]" 1
444 1 55 TYR QE 1 62 VAL H 0.000 . 5.000 4.060 3.525 4.689 . 0 0 "[ . 1 .]" 1
445 1 55 TYR HA 1 63 VAL H 0.000 . 4.000 3.039 2.808 3.229 . 0 0 "[ . 1 .]" 1
446 1 62 VAL HB 1 63 VAL H 0.000 . 4.000 3.858 3.236 4.037 0.037 7 0 "[ . 1 .]" 1
447 1 54 VAL HB 1 63 VAL H 0.000 . 5.000 4.730 4.268 5.019 0.019 6 0 "[ . 1 .]" 1
448 1 65 ILE MG 1 66 SER H 0.000 . 3.000 2.302 2.092 2.565 . 0 0 "[ . 1 .]" 1
449 1 32 TYR QE 1 66 SER H 0.000 . 5.000 3.814 2.946 4.833 . 0 0 "[ . 1 .]" 1
450 1 51 MET HA 1 67 SER H 0.000 . 4.000 3.642 3.070 4.006 0.006 6 0 "[ . 1 .]" 1
451 1 51 MET ME 1 67 SER H 0.000 . 5.000 4.769 4.297 4.994 . 0 0 "[ . 1 .]" 1
452 1 68 GLU H 1 69 HIS H 0.000 . 3.000 2.618 2.554 2.693 . 0 0 "[ . 1 .]" 1
453 1 69 HIS H 1 70 LEU H 0.000 . 3.000 2.236 2.103 2.333 . 0 0 "[ . 1 .]" 1
454 1 65 ILE MG 1 69 HIS H 0.000 . 4.000 3.397 3.130 3.728 . 0 0 "[ . 1 .]" 1
455 1 29 ARG QD 1 69 HIS H 0.000 . 5.000 4.556 4.139 4.744 . 0 0 "[ . 1 .]" 1
456 1 65 ILE MG 1 70 LEU H 0.000 . 4.000 3.545 3.236 3.818 . 0 0 "[ . 1 .]" 1
457 1 29 ARG QD 1 70 LEU H 0.000 . 4.000 3.884 3.755 3.989 . 0 0 "[ . 1 .]" 1
458 1 28 VAL HA 1 70 LEU HA 0.000 . 4.000 3.114 2.832 3.400 . 0 0 "[ . 1 .]" 1
459 1 29 ARG H 1 71 GLU H 0.000 . 5.000 4.476 4.170 4.941 . 0 0 "[ . 1 .]" 1
460 1 19 TRP HH2 1 71 GLU H 0.000 . 5.000 4.588 4.068 4.926 . 0 0 "[ . 1 .]" 1
461 1 28 VAL HA 1 71 GLU H 0.000 . 4.000 3.946 3.664 4.014 0.014 6 0 "[ . 1 .]" 1
462 1 26 VAL QG 1 71 GLU H 0.000 . 5.000 3.344 2.126 3.849 . 0 0 "[ . 1 .]" 1
463 1 72 PRO HA 1 73 ILE H 0.000 . 3.000 2.280 2.235 2.337 . 0 0 "[ . 1 .]" 1
464 1 74 THR MG 1 118 LEU QB 0.000 . 4.000 2.711 1.900 4.006 0.006 4 0 "[ . 1 .]" 1
465 1 74 THR MG 1 118 LEU QD 0.000 . 4.000 2.796 1.932 3.981 . 0 0 "[ . 1 .]" 1
466 1 76 THR H 1 95 LEU QD 0.000 . 5.000 3.927 2.844 4.573 . 0 0 "[ . 1 .]" 1
467 1 76 THR H 1 79 ASN QB 0.000 . 4.000 2.334 1.834 2.742 . 0 0 "[ . 1 .]" 1
468 1 77 LYS H 1 95 LEU QD 0.000 . 5.000 3.245 2.483 3.847 . 0 0 "[ . 1 .]" 1
469 1 77 LYS HA 1 98 ILE MD 0.000 . 5.000 3.946 2.650 4.884 . 0 0 "[ . 1 .]" 1
470 1 79 ASN H 1 95 LEU QD 0.000 . 4.000 3.801 3.284 3.926 . 0 0 "[ . 1 .]" 1
471 1 79 ASN H 1 95 LEU HB2 0.000 . 5.000 4.023 2.608 4.622 . 0 0 "[ . 1 .]" 1
472 1 79 ASN H 1 95 LEU HB3 0.000 . 4.000 2.847 2.261 3.979 . 0 0 "[ . 1 .]" 1
473 1 79 ASN H 1 94 VAL QG 0.000 . 4.000 3.296 2.777 3.704 . 0 0 "[ . 1 .]" 1
474 1 79 ASN HD21 1 80 LYS H 0.000 . 5.000 3.902 2.812 4.823 . 0 0 "[ . 1 .]" 1
475 1 79 ASN HD22 1 80 LYS H 0.000 . 5.000 3.984 3.063 5.003 0.003 2 0 "[ . 1 .]" 1
476 1 81 VAL H 1 94 VAL HA 0.000 . 4.000 3.073 2.405 3.899 . 0 0 "[ . 1 .]" 1
477 1 85 LEU H 1 120 PHE HB3 0.000 . 4.000 2.860 2.472 3.176 . 0 0 "[ . 1 .]" 1
478 1 85 LEU H 1 120 PHE HB2 0.000 . 5.000 4.457 3.969 4.833 . 0 0 "[ . 1 .]" 1
479 1 85 LEU H 1 120 PHE HA 0.000 . 5.000 3.748 3.110 4.573 . 0 0 "[ . 1 .]" 1
480 1 83 VAL HA 1 85 LEU H 0.000 . 4.000 3.384 3.319 3.441 . 0 0 "[ . 1 .]" 1
481 1 103 GLY H 1 116 LEU H 0.000 . 4.000 3.531 3.118 3.982 . 0 0 "[ . 1 .]" 1
482 1 25 GLN HE21 1 125 LEU HA 0.000 . 4.000 2.228 1.867 3.048 . 0 0 "[ . 1 .]" 1
483 1 25 GLN HE22 1 125 LEU HA 0.000 . 3.000 2.835 2.414 3.007 0.007 6 0 "[ . 1 .]" 1
484 1 125 LEU HA 1 126 GLU H 0.000 . 3.000 2.213 2.189 2.240 . 0 0 "[ . 1 .]" 1
485 1 41 THR MG 1 42 GLY H 0.000 . 3.000 2.257 2.002 2.404 . 0 0 "[ . 1 .]" 1
486 1 26 VAL H 1 41 THR MG 0.000 . 4.000 3.331 2.771 3.775 . 0 0 "[ . 1 .]" 1
487 1 27 LYS HA 1 41 THR MG 0.000 . 4.000 3.448 3.159 3.980 . 0 0 "[ . 1 .]" 1
488 1 41 THR MG 1 73 ILE MD 0.000 . 3.000 2.359 1.926 2.689 . 0 0 "[ . 1 .]" 1
489 1 27 LYS QB 1 73 ILE MD 0.000 . 3.000 2.457 1.714 3.010 0.010 8 0 "[ . 1 .]" 1
490 1 27 LYS HA 1 73 ILE MD 0.000 . 4.000 3.515 2.815 3.991 . 0 0 "[ . 1 .]" 1
491 1 27 LYS QE 1 73 ILE MD 0.000 . 4.000 3.040 1.688 4.007 0.007 6 0 "[ . 1 .]" 1
492 1 79 ASN HA 1 80 LYS H 0.000 . 3.000 2.403 2.347 2.504 . 0 0 "[ . 1 .]" 1
493 1 80 LYS H 1 124 LEU QB 0.000 . 5.000 4.059 3.597 4.461 . 0 0 "[ . 1 .]" 1
494 1 82 LYS H 1 123 LYS HA 0.000 . 5.000 4.242 4.021 4.401 . 0 0 "[ . 1 .]" 1
495 1 84 ILE H 1 120 PHE QB 0.000 . 5.000 3.589 3.268 3.903 . 0 0 "[ . 1 .]" 1
496 1 85 LEU H 1 89 ARG HA 0.000 . 5.000 3.739 3.501 3.933 . 0 0 "[ . 1 .]" 1
497 1 88 ASP H 1 89 ARG H 0.000 . 3.000 2.611 2.423 2.713 . 0 0 "[ . 1 .]" 1
498 1 87 GLU H 1 88 ASP H 0.000 . 3.000 2.643 2.519 2.769 . 0 0 "[ . 1 .]" 1
499 1 83 VAL QG 1 88 ASP H 0.000 . 4.000 3.290 3.074 3.634 . 0 0 "[ . 1 .]" 1
500 1 83 VAL QG 1 85 LEU H 0.000 . 3.000 2.056 1.826 2.227 . 0 0 "[ . 1 .]" 1
501 1 83 VAL QG 1 88 ASP QB 0.000 . 3.000 2.117 1.847 2.481 . 0 0 "[ . 1 .]" 1
502 1 83 VAL QG 1 120 PHE QB 0.000 . 4.000 2.972 2.616 3.499 . 0 0 "[ . 1 .]" 1
503 1 83 VAL QG 1 89 ARG HA 0.000 . 3.000 2.098 1.576 2.542 . 0 0 "[ . 1 .]" 1
504 1 83 VAL QG 1 89 ARG QB 0.000 . 4.000 3.269 2.472 3.855 . 0 0 "[ . 1 .]" 1
505 1 92 THR H 1 107 MET ME 0.000 . 5.000 3.892 3.115 4.493 . 0 0 "[ . 1 .]" 1
506 1 91 ALA H 1 107 MET ME 0.000 . 5.000 4.887 4.564 5.020 0.020 10 0 "[ . 1 .]" 1
507 1 92 THR HA 1 107 MET ME 0.000 . 5.000 4.070 3.528 4.769 . 0 0 "[ . 1 .]" 1
508 1 93 GLY QA 1 107 MET ME 0.000 . 5.000 2.826 2.145 3.533 . 0 0 "[ . 1 .]" 1
509 1 91 ALA HA 1 107 MET ME 0.000 . 5.000 4.477 3.968 4.855 . 0 0 "[ . 1 .]" 1
510 1 82 LYS QE 1 92 THR MG 0.000 . 5.000 3.042 2.289 3.919 . 0 0 "[ . 1 .]" 1
511 1 19 TRP HB2 1 85 LEU MD1 0.000 . 5.000 3.232 2.228 4.601 . 0 0 "[ . 1 .]" 1
512 1 19 TRP HB3 1 85 LEU MD1 0.000 . 4.000 2.989 1.886 3.948 . 0 0 "[ . 1 .]" 1
513 1 19 TRP HA 1 85 LEU MD1 0.000 . 4.000 3.009 1.889 4.003 0.003 15 0 "[ . 1 .]" 1
514 1 24 ILE HA 1 124 LEU HA 0.000 . 3.000 2.379 1.862 2.801 . 0 0 "[ . 1 .]" 1
515 1 24 ILE HA 1 124 LEU QD 0.000 . 5.000 3.098 1.852 4.416 . 0 0 "[ . 1 .]" 1
516 1 24 ILE HA 1 25 GLN H 0.000 . 3.000 2.327 2.269 2.419 . 0 0 "[ . 1 .]" 1
517 1 80 LYS QB 1 124 LEU QB 0.000 . 4.000 2.041 1.783 2.526 . 0 0 "[ . 1 .]" 1
518 1 83 VAL HB 1 89 ARG H 0.000 . 5.000 4.394 4.031 5.058 0.058 10 0 "[ . 1 .]" 1
519 1 83 VAL QG 1 89 ARG H 0.000 . 4.000 2.906 2.290 3.303 . 0 0 "[ . 1 .]" 1
520 1 87 GLU HA 1 89 ARG H 0.000 . 4.000 3.439 3.346 3.726 . 0 0 "[ . 1 .]" 1
521 1 38 VAL HA 1 40 GLN H 0.000 . 4.000 3.354 3.264 3.498 . 0 0 "[ . 1 .]" 1
522 1 48 THR HA 1 49 GLY H 0.000 . 3.000 2.258 2.193 2.320 . 0 0 "[ . 1 .]" 1
523 1 73 ILE MG 1 74 THR H 0.000 . 3.000 2.492 2.213 2.895 . 0 0 "[ . 1 .]" 1
524 1 21 THR MG 1 90 GLU HA 0.000 . 5.000 4.093 2.746 5.005 0.005 5 0 "[ . 1 .]" 1
525 1 21 THR MG 1 82 LYS QE 0.000 . 4.000 2.969 2.030 4.005 0.005 10 0 "[ . 1 .]" 1
526 1 21 THR MG 1 84 ILE HB 0.000 . 5.000 3.313 2.008 4.057 . 0 0 "[ . 1 .]" 1
527 1 21 THR MG 1 84 ILE MD 0.000 . 5.000 4.269 3.221 5.005 0.005 9 0 "[ . 1 .]" 1
528 1 23 ASP HB3 1 124 LEU QD 0.000 . 4.000 2.461 1.973 3.243 . 0 0 "[ . 1 .]" 1
529 1 23 ASP HB2 1 124 LEU QD 0.000 . 4.000 2.592 1.887 3.886 . 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 96
_Distance_constraint_stats_list.Viol_count 162
_Distance_constraint_stats_list.Viol_total 24.169
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0099
_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 23 ASP 0.024 0.012 13 0 "[ . 1 .]"
1 24 ILE 0.008 0.008 1 0 "[ . 1 .]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 26 VAL 0.014 0.007 2 0 "[ . 1 .]"
1 27 LYS 0.007 0.007 11 0 "[ . 1 .]"
1 28 VAL 0.097 0.059 12 0 "[ . 1 .]"
1 29 ARG 0.067 0.020 12 0 "[ . 1 .]"
1 34 ASP 0.020 0.020 12 0 "[ . 1 .]"
1 35 THR 0.175 0.037 14 0 "[ . 1 .]"
1 37 VAL 0.072 0.020 12 0 "[ . 1 .]"
1 38 VAL 0.175 0.037 14 0 "[ . 1 .]"
1 39 GLY 0.080 0.059 12 0 "[ . 1 .]"
1 40 GLN 0.069 0.012 11 0 "[ . 1 .]"
1 41 THR 0.409 0.044 15 0 "[ . 1 .]"
1 42 GLY 0.014 0.007 2 0 "[ . 1 .]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 44 ILE 0.032 0.012 13 0 "[ . 1 .]"
1 45 ARG 0.009 0.007 9 0 "[ . 1 .]"
1 46 SER 0.000 0.000 . 0 "[ . 1 .]"
1 48 THR 0.053 0.016 7 0 "[ . 1 .]"
1 51 MET 0.053 0.016 7 0 "[ . 1 .]"
1 52 CYS 0.119 0.013 1 0 "[ . 1 .]"
1 53 SER 0.009 0.007 9 0 "[ . 1 .]"
1 54 VAL 0.011 0.005 15 0 "[ . 1 .]"
1 55 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 56 LEU 0.024 0.008 9 0 "[ . 1 .]"
1 57 LYS 0.409 0.044 15 0 "[ . 1 .]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 61 LYS 0.024 0.008 9 0 "[ . 1 .]"
1 63 VAL 0.011 0.005 15 0 "[ . 1 .]"
1 65 ILE 0.119 0.013 1 0 "[ . 1 .]"
1 66 SER 0.000 0.000 . 0 "[ . 1 .]"
1 67 SER 0.000 0.000 . 0 "[ . 1 .]"
1 69 HIS 0.067 0.020 12 0 "[ . 1 .]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 71 GLU 0.007 0.007 11 0 "[ . 1 .]"
1 73 ILE 0.102 0.015 12 0 "[ . 1 .]"
1 76 THR 0.096 0.019 2 0 "[ . 1 .]"
1 78 ASN 0.014 0.008 12 0 "[ . 1 .]"
1 79 ASN 0.097 0.019 2 0 "[ . 1 .]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 81 VAL 0.003 0.003 8 0 "[ . 1 .]"
1 82 LYS 0.037 0.016 8 0 "[ . 1 .]"
1 83 VAL 0.091 0.029 13 0 "[ . 1 .]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 88 ASP 0.060 0.014 15 0 "[ . 1 .]"
1 89 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 90 GLU 0.073 0.029 13 0 "[ . 1 .]"
1 91 ALA 0.078 0.014 15 0 "[ . 1 .]"
1 93 GLY 0.003 0.003 8 0 "[ . 1 .]"
1 95 LEU 0.015 0.008 12 0 "[ . 1 .]"
1 103 GLY 0.115 0.029 13 0 "[ . 1 .]"
1 105 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 116 LEU 0.115 0.029 13 0 "[ . 1 .]"
1 117 ASN 0.003 0.003 11 0 "[ . 1 .]"
1 118 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 120 PHE 0.003 0.003 11 0 "[ . 1 .]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 122 GLY 0.037 0.016 8 0 "[ . 1 .]"
1 123 LYS 0.102 0.015 12 0 "[ . 1 .]"
1 124 LEU 0.000 0.000 . 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 23 ASP H 1 44 ILE O 0.000 . 2.300 2.060 1.737 2.312 0.012 13 0 "[ . 1 .]" 2
2 1 23 ASP N 1 44 ILE O 0.000 . 3.300 3.012 2.683 3.251 . 0 0 "[ . 1 .]" 2
3 1 25 GLN H 1 123 LYS O 0.000 . 2.300 1.830 1.553 2.115 . 0 0 "[ . 1 .]" 2
4 1 25 GLN N 1 123 LYS O 0.000 . 3.300 2.764 2.488 3.040 . 0 0 "[ . 1 .]" 2
5 1 26 VAL H 1 42 GLY O 0.000 . 2.300 2.042 1.746 2.280 . 0 0 "[ . 1 .]" 2
6 1 26 VAL N 1 42 GLY O 0.000 . 3.300 2.973 2.631 3.209 . 0 0 "[ . 1 .]" 2
7 1 27 LYS H 1 71 GLU O 0.000 . 2.300 1.739 1.531 2.170 . 0 0 "[ . 1 .]" 2
8 1 27 LYS N 1 71 GLU O 0.000 . 3.300 2.655 2.438 3.081 . 0 0 "[ . 1 .]" 2
9 1 28 VAL H 1 40 GLN O 0.000 . 2.300 2.258 2.137 2.310 0.010 8 0 "[ . 1 .]" 2
10 1 28 VAL N 1 40 GLN O 0.000 . 3.300 3.167 3.065 3.277 . 0 0 "[ . 1 .]" 2
11 1 29 ARG H 1 69 HIS O 0.000 . 2.300 2.281 2.155 2.320 0.020 12 0 "[ . 1 .]" 2
12 1 29 ARG N 1 69 HIS O 0.000 . 3.300 3.251 3.088 3.295 . 0 0 "[ . 1 .]" 2
13 1 34 ASP O 1 37 VAL H 0.000 . 2.300 2.052 1.905 2.320 0.020 12 0 "[ . 1 .]" 2
14 1 34 ASP O 1 37 VAL N 0.000 . 3.300 2.968 2.862 3.240 . 0 0 "[ . 1 .]" 2
15 1 35 THR O 1 38 VAL H 0.000 . 2.300 2.312 2.303 2.337 0.037 14 0 "[ . 1 .]" 2
16 1 35 THR O 1 38 VAL N 0.000 . 3.300 3.218 3.049 3.256 . 0 0 "[ . 1 .]" 2
17 1 28 VAL O 1 39 GLY H 0.000 . 2.300 2.182 1.866 2.359 0.059 12 0 "[ . 1 .]" 2
18 1 28 VAL O 1 39 GLY N 0.000 . 3.300 3.110 2.810 3.241 . 0 0 "[ . 1 .]" 2
19 1 37 VAL O 1 40 GLN H 0.000 . 2.300 2.247 1.857 2.312 0.012 11 0 "[ . 1 .]" 2
20 1 37 VAL O 1 40 GLN N 0.000 . 3.300 3.113 2.692 3.223 . 0 0 "[ . 1 .]" 2
21 1 26 VAL O 1 42 GLY H 0.000 . 2.300 2.135 1.955 2.307 0.007 2 0 "[ . 1 .]" 2
22 1 26 VAL O 1 42 GLY N 0.000 . 3.300 3.086 2.920 3.238 . 0 0 "[ . 1 .]" 2
23 1 43 VAL H 1 55 TYR O 0.000 . 2.300 1.792 1.689 2.096 . 0 0 "[ . 1 .]" 2
24 1 43 VAL N 1 55 TYR O 0.000 . 3.300 2.638 2.541 2.974 . 0 0 "[ . 1 .]" 2
25 1 24 ILE O 1 44 ILE H 0.000 . 2.300 2.241 1.993 2.308 0.008 1 0 "[ . 1 .]" 2
26 1 24 ILE O 1 44 ILE N 0.000 . 3.300 3.181 2.947 3.253 . 0 0 "[ . 1 .]" 2
27 1 45 ARG H 1 53 SER O 0.000 . 2.300 2.155 1.879 2.307 0.007 9 0 "[ . 1 .]" 2
28 1 45 ARG N 1 53 SER O 0.000 . 3.300 2.979 2.773 3.130 . 0 0 "[ . 1 .]" 2
29 1 48 THR H 1 51 MET O 0.000 . 2.300 2.038 1.695 2.306 0.006 15 0 "[ . 1 .]" 2
30 1 48 THR N 1 51 MET O 0.000 . 3.300 2.836 2.487 3.223 . 0 0 "[ . 1 .]" 2
31 1 48 THR O 1 51 MET H 0.000 . 2.300 2.282 2.107 2.316 0.016 7 0 "[ . 1 .]" 2
32 1 48 THR O 1 51 MET N 0.000 . 3.300 2.896 2.685 3.173 . 0 0 "[ . 1 .]" 2
33 1 52 CYS H 1 65 ILE O 0.000 . 2.300 2.308 2.303 2.313 0.013 1 0 "[ . 1 .]" 2
34 1 52 CYS N 1 65 ILE O 0.000 . 3.300 3.173 3.013 3.283 . 0 0 "[ . 1 .]" 2
35 1 46 SER O 1 53 SER H 0.000 . 2.300 1.821 1.506 2.034 . 0 0 "[ . 1 .]" 2
36 1 46 SER O 1 53 SER N 0.000 . 3.300 2.776 2.445 3.012 . 0 0 "[ . 1 .]" 2
37 1 54 VAL H 1 63 VAL O 0.000 . 2.300 1.896 1.574 2.282 . 0 0 "[ . 1 .]" 2
38 1 54 VAL N 1 63 VAL O 0.000 . 3.300 2.799 2.538 3.221 . 0 0 "[ . 1 .]" 2
39 1 43 VAL O 1 55 TYR H 0.000 . 2.300 1.604 1.524 1.954 . 0 0 "[ . 1 .]" 2
40 1 43 VAL O 1 55 TYR N 0.000 . 3.300 2.544 2.472 2.776 . 0 0 "[ . 1 .]" 2
41 1 56 LEU H 1 61 LYS O 0.000 . 2.300 2.154 1.852 2.308 0.008 9 0 "[ . 1 .]" 2
42 1 56 LEU N 1 61 LYS O 0.000 . 3.300 2.996 2.733 3.175 . 0 0 "[ . 1 .]" 2
43 1 41 THR O 1 57 LYS H 0.000 . 2.300 2.327 2.311 2.344 0.044 15 0 "[ . 1 .]" 2
44 1 41 THR O 1 57 LYS N 0.000 . 3.300 3.157 3.105 3.230 . 0 0 "[ . 1 .]" 2
45 1 56 LEU O 1 60 GLU H 0.000 . 2.300 1.821 1.565 2.205 . 0 0 "[ . 1 .]" 2
46 1 56 LEU O 1 60 GLU N 0.000 . 3.300 2.512 2.397 2.682 . 0 0 "[ . 1 .]" 2
47 1 54 VAL O 1 63 VAL H 0.000 . 2.300 2.035 1.710 2.305 0.005 15 0 "[ . 1 .]" 2
48 1 54 VAL O 1 63 VAL N 0.000 . 3.300 2.998 2.680 3.262 . 0 0 "[ . 1 .]" 2
49 1 52 CYS O 1 65 ILE H 0.000 . 2.300 2.041 1.653 2.302 0.002 13 0 "[ . 1 .]" 2
50 1 52 CYS O 1 65 ILE N 0.000 . 3.300 2.855 2.532 3.095 . 0 0 "[ . 1 .]" 2
51 1 66 SER O 1 69 HIS H 0.000 . 2.300 1.883 1.609 2.066 . 0 0 "[ . 1 .]" 2
52 1 66 SER O 1 69 HIS N 0.000 . 3.300 2.765 2.519 2.956 . 0 0 "[ . 1 .]" 2
53 1 67 SER O 1 70 LEU H 0.000 . 2.300 2.152 1.855 2.298 . 0 0 "[ . 1 .]" 2
54 1 67 SER O 1 70 LEU N 0.000 . 3.300 3.053 2.792 3.167 . 0 0 "[ . 1 .]" 2
55 1 27 LYS O 1 71 GLU H 0.000 . 2.300 2.162 1.842 2.307 0.007 11 0 "[ . 1 .]" 2
56 1 27 LYS O 1 71 GLU N 0.000 . 3.300 2.921 2.481 3.217 . 0 0 "[ . 1 .]" 2
57 1 78 ASN H 1 95 LEU O 0.000 . 2.300 1.955 1.597 2.308 0.008 12 0 "[ . 1 .]" 2
58 1 78 ASN N 1 95 LEU O 0.000 . 3.300 2.829 2.521 3.182 . 0 0 "[ . 1 .]" 2
59 1 76 THR O 1 79 ASN H 0.000 . 2.300 2.267 1.985 2.319 0.019 2 0 "[ . 1 .]" 2
60 1 76 THR O 1 79 ASN N 0.000 . 3.300 2.929 2.689 3.090 . 0 0 "[ . 1 .]" 2
61 1 81 VAL H 1 93 GLY O 0.000 . 2.300 1.755 1.548 2.225 . 0 0 "[ . 1 .]" 2
62 1 81 VAL N 1 93 GLY O 0.000 . 3.300 2.698 2.462 3.017 . 0 0 "[ . 1 .]" 2
63 1 82 LYS H 1 122 GLY O 0.000 . 2.300 2.027 1.866 2.261 . 0 0 "[ . 1 .]" 2
64 1 82 LYS N 1 122 GLY O 0.000 . 3.300 2.918 2.779 3.116 . 0 0 "[ . 1 .]" 2
65 1 83 VAL H 1 91 ALA O 0.000 . 2.300 1.954 1.529 2.312 0.012 10 0 "[ . 1 .]" 2
66 1 83 VAL N 1 91 ALA O 0.000 . 3.300 2.853 2.450 3.199 . 0 0 "[ . 1 .]" 2
67 1 84 ILE H 1 120 PHE O 0.000 . 2.300 2.089 1.774 2.254 . 0 0 "[ . 1 .]" 2
68 1 84 ILE N 1 120 PHE O 0.000 . 3.300 3.017 2.702 3.227 . 0 0 "[ . 1 .]" 2
69 1 86 GLY O 1 89 ARG H 0.000 . 2.300 1.989 1.623 2.288 . 0 0 "[ . 1 .]" 2
70 1 86 GLY O 1 89 ARG N 0.000 . 3.300 2.864 2.526 3.171 . 0 0 "[ . 1 .]" 2
71 1 83 VAL O 1 90 GLU H 0.000 . 2.300 2.188 1.805 2.329 0.029 13 0 "[ . 1 .]" 2
72 1 83 VAL O 1 90 GLU N 0.000 . 3.300 3.002 2.641 3.198 . 0 0 "[ . 1 .]" 2
73 1 88 ASP O 1 91 ALA H 0.000 . 2.300 2.292 2.237 2.314 0.014 15 0 "[ . 1 .]" 2
74 1 88 ASP O 1 91 ALA N 0.000 . 3.300 2.973 2.831 3.070 . 0 0 "[ . 1 .]" 2
75 1 81 VAL O 1 93 GLY H 0.000 . 2.300 2.085 1.750 2.303 0.003 8 0 "[ . 1 .]" 2
76 1 81 VAL O 1 93 GLY N 0.000 . 3.300 2.899 2.615 3.127 . 0 0 "[ . 1 .]" 2
77 1 79 ASN O 1 95 LEU H 0.000 . 2.300 2.002 1.835 2.301 0.001 15 0 "[ . 1 .]" 2
78 1 79 ASN O 1 95 LEU N 0.000 . 3.300 2.948 2.764 3.183 . 0 0 "[ . 1 .]" 2
79 1 117 ASN O 1 120 PHE H 0.000 . 2.300 2.017 1.568 2.303 0.003 11 0 "[ . 1 .]" 2
80 1 117 ASN O 1 120 PHE N 0.000 . 3.300 2.947 2.534 3.221 . 0 0 "[ . 1 .]" 2
81 1 118 LEU O 1 121 LEU H 0.000 . 2.300 2.105 1.947 2.272 . 0 0 "[ . 1 .]" 2
82 1 118 LEU O 1 121 LEU N 0.000 . 3.300 3.026 2.895 3.188 . 0 0 "[ . 1 .]" 2
83 1 82 LYS O 1 122 GLY H 0.000 . 2.300 2.190 2.036 2.316 0.016 8 0 "[ . 1 .]" 2
84 1 82 LYS O 1 122 GLY N 0.000 . 3.300 3.084 2.907 3.245 . 0 0 "[ . 1 .]" 2
85 1 73 ILE O 1 123 LYS H 0.000 . 2.300 2.307 2.301 2.315 0.015 12 0 "[ . 1 .]" 2
86 1 73 ILE O 1 123 LYS N 0.000 . 3.300 3.068 2.993 3.141 . 0 0 "[ . 1 .]" 2
87 1 80 LYS O 1 124 LEU H 0.000 . 2.300 1.872 1.564 2.087 . 0 0 "[ . 1 .]" 2
88 1 80 LYS O 1 124 LEU N 0.000 . 3.300 2.815 2.469 3.048 . 0 0 "[ . 1 .]" 2
89 1 105 VAL H 1 114 LYS O 0.000 . 2.300 1.814 1.641 2.096 . 0 0 "[ . 1 .]" 2
90 1 105 VAL N 1 114 LYS O 0.000 . 3.300 2.736 2.482 3.069 . 0 0 "[ . 1 .]" 2
91 1 105 VAL O 1 114 LYS H 0.000 . 2.300 1.756 1.573 2.099 . 0 0 "[ . 1 .]" 2
92 1 105 VAL O 1 114 LYS N 0.000 . 3.300 2.681 2.457 2.983 . 0 0 "[ . 1 .]" 2
93 1 103 GLY H 1 116 LEU O 0.000 . 2.300 2.302 2.219 2.329 0.029 13 0 "[ . 1 .]" 2
94 1 103 GLY N 1 116 LEU O 0.000 . 3.300 3.061 2.800 3.241 . 0 0 "[ . 1 .]" 2
95 1 103 GLY O 1 116 LEU H 0.000 . 2.300 2.079 1.804 2.273 . 0 0 "[ . 1 .]" 2
96 1 103 GLY O 1 116 LEU N 0.000 . 3.300 3.006 2.745 3.220 . 0 0 "[ . 1 .]" 2
stop_
save_
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