NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610452 |
5t1n   |
30158 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5t1n
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 620
_Distance_constraint_stats_list.Viol_count 2682
_Distance_constraint_stats_list.Viol_total 9354.801
_Distance_constraint_stats_list.Viol_max 0.854
_Distance_constraint_stats_list.Viol_rms 0.1016
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0377
_Distance_constraint_stats_list.Viol_average_violations_only 0.1744
_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 2 THR 8.616 0.413 10 0 "[ . 1 . 2]"
1 3 VAL 17.886 0.413 10 0 "[ . 1 . 2]"
1 4 LYS 21.517 0.596 19 2 "[ .- 1 . +2]"
1 5 GLN 41.631 0.464 19 0 "[ . 1 . 2]"
1 6 THR 19.760 0.444 2 0 "[ . 1 . 2]"
1 7 VAL 19.859 0.434 11 0 "[ . 1 . 2]"
1 8 GLU 3.706 0.471 1 0 "[ . 1 . 2]"
1 9 ILE 3.051 0.248 13 0 "[ . 1 . 2]"
1 10 THR 1.207 0.223 2 0 "[ . 1 . 2]"
1 11 ASN 3.229 0.660 18 2 "[ . -1 . + 2]"
1 12 LYS 4.919 0.660 18 2 "[ . -1 . + 2]"
1 13 LEU 0.509 0.141 10 0 "[ . 1 . 2]"
1 14 GLY 4.857 0.412 1 0 "[ . 1 . 2]"
1 15 MET 6.175 0.412 1 0 "[ . 1 . 2]"
1 16 HIS 0.430 0.085 20 0 "[ . 1 . 2]"
1 17 ALA 0.430 0.085 20 0 "[ . 1 . 2]"
1 19 PRO 0.629 0.304 8 0 "[ . 1 . 2]"
1 20 ALA 1.119 0.073 8 0 "[ . 1 . 2]"
1 21 MET 1.748 0.304 8 0 "[ . 1 . 2]"
1 22 LYS 0.953 0.060 5 0 "[ . 1 . 2]"
1 23 LEU 21.811 0.647 18 15 "[ * **** 1*******+-*]"
1 24 PHE 6.070 0.414 15 0 "[ . 1 . 2]"
1 25 GLU 1.633 0.174 6 0 "[ . 1 . 2]"
1 26 LEU 13.315 0.759 8 15 "[ *** *+ *****.-****]"
1 27 MET 6.153 0.414 15 0 "[ . 1 . 2]"
1 28 GLN 14.339 0.759 8 15 "[ *** *+ *****.-****]"
1 29 GLY 0.868 0.054 19 0 "[ . 1 . 2]"
1 30 PHE 16.166 0.854 9 17 "[*** ****+*-* *** ***]"
1 31 ASP 11.047 0.612 13 3 "[- . 1* + . 2]"
1 32 ALA 25.303 0.517 1 1 "[+ . 1 . 2]"
1 33 GLU 18.266 0.820 9 20 [********+***-*******]
1 34 VAL 22.651 0.494 11 0 "[ . 1 . 2]"
1 35 LEU 10.577 0.429 5 0 "[ . 1 . 2]"
1 36 LEU 13.175 0.429 7 0 "[ . 1 . 2]"
1 37 ARG 13.437 0.684 19 5 "[ * . * 1* -. +2]"
1 38 ASN 5.807 0.407 5 0 "[ . 1 . 2]"
1 39 ASP 11.405 0.613 3 5 "[ + .* ** - 2]"
1 40 GLU 3.805 0.243 10 0 "[ . 1 . 2]"
1 41 GLY 1.667 0.179 6 0 "[ . 1 . 2]"
1 42 THR 9.357 0.316 7 0 "[ . 1 . 2]"
1 43 GLU 10.126 0.684 19 5 "[ * . * 1* -. +2]"
1 44 ALA 9.192 0.429 7 0 "[ . 1 . 2]"
1 46 ALA 2.648 0.372 3 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 2.508 0.372 3 0 "[ . 1 . 2]"
1 49 VAL 8.328 0.305 9 0 "[ . 1 . 2]"
1 50 ILE 16.554 0.337 4 0 "[ . 1 . 2]"
1 51 ALA 6.890 0.315 7 0 "[ . 1 . 2]"
1 52 LEU 2.603 0.153 12 0 "[ . 1 . 2]"
1 53 LEU 8.131 0.305 9 0 "[ . 1 . 2]"
1 54 MET 0.592 0.169 18 0 "[ . 1 . 2]"
1 55 LEU 0.151 0.072 6 0 "[ . 1 . 2]"
1 56 ASP 0.079 0.028 17 0 "[ . 1 . 2]"
1 57 SER 2.342 0.236 9 0 "[ . 1 . 2]"
1 58 ALA 9.472 0.558 7 1 "[ . + 1 . 2]"
1 59 LYS 0.527 0.091 17 0 "[ . 1 . 2]"
1 60 GLY 10.492 0.558 7 1 "[ . + 1 . 2]"
1 61 ARG 2.465 0.246 7 0 "[ . 1 . 2]"
1 62 GLN 18.880 0.613 3 5 "[ + .* ** - 2]"
1 63 ILE 18.509 0.441 15 0 "[ . 1 . 2]"
1 64 GLU 3.322 0.239 4 0 "[ . 1 . 2]"
1 65 VAL 31.914 0.464 19 0 "[ . 1 . 2]"
1 66 GLU 31.974 0.429 5 0 "[ . 1 . 2]"
1 67 ALA 15.724 0.820 9 20 [********+***-*******]
1 68 THR 13.716 0.494 11 0 "[ . 1 . 2]"
1 69 GLY 2.595 0.493 11 0 "[ . 1 . 2]"
1 70 PRO 6.554 0.612 13 2 "[ . 1- + . 2]"
1 71 GLN 9.722 0.366 13 0 "[ . 1 . 2]"
1 72 GLU 11.700 0.493 11 0 "[ . 1 . 2]"
1 73 GLU 14.451 0.505 6 2 "[- .+ 1 . 2]"
1 74 GLU 22.013 0.636 8 12 "[-* ****+*1** *. * 2]"
1 75 ALA 31.425 0.854 9 13 "[****** +* - ** **]"
1 76 LEU 24.074 0.647 18 15 "[ * **** 1*******+-*]"
1 77 ALA 13.222 0.357 20 0 "[ . 1 . 2]"
1 78 ALA 12.049 0.284 13 0 "[ . 1 . 2]"
1 79 VAL 27.922 0.569 17 5 "[ . **-1 . + *]"
1 80 ILE 28.152 0.600 20 19 "[*********-****** **+]"
1 81 ALA 6.978 0.357 20 0 "[ . 1 . 2]"
1 82 LEU 33.279 0.600 20 19 "[*********-****** **+]"
1 83 PHE 10.457 0.494 15 0 "[ . 1 . 2]"
1 84 ASN 10.525 0.525 20 1 "[ . 1 . +]"
1 85 SER 17.474 0.525 20 1 "[ . 1 . +]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HB 1 3 VAL H 3.000 . 3.500 2.981 2.482 3.905 0.405 19 0 "[ . 1 . 2]" 1
2 1 2 THR MG 1 3 VAL H 2.500 . 3.400 3.537 2.285 3.813 0.413 10 0 "[ . 1 . 2]" 1
3 1 2 THR HA 1 3 VAL H 2.500 . 2.900 2.278 2.146 2.386 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR HB 1 4 LYS H 3.900 2.700 5.100 5.178 5.023 5.285 0.185 17 0 "[ . 1 . 2]" 1
5 1 2 THR HA 1 67 ALA H 4.000 . 5.000 4.701 4.275 4.982 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL H 1 3 VAL HB 3.000 . 3.500 2.869 2.646 3.764 0.264 4 0 "[ . 1 . 2]" 1
7 1 3 VAL H 1 3 VAL QG 3.000 . 3.400 2.684 1.995 2.968 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL QG 1 4 LYS H 3.000 . 4.000 2.798 2.540 3.588 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL HB 1 4 LYS H 3.100 2.100 4.100 4.240 3.469 4.417 0.317 19 0 "[ . 1 . 2]" 1
10 1 3 VAL HA 1 4 LYS H 2.500 . 2.900 2.148 2.146 2.158 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL H 1 66 GLU QG 3.000 . 4.000 3.354 3.207 3.655 . 0 0 "[ . 1 . 2]" 1
12 1 3 VAL H 1 66 GLU QB 3.900 2.700 5.100 5.373 5.227 5.500 0.400 14 0 "[ . 1 . 2]" 1
13 1 3 VAL HA 1 67 ALA H 4.000 . 6.000 4.717 4.637 4.853 . 0 0 "[ . 1 . 2]" 1
14 1 3 VAL H 1 67 ALA HA 4.000 . 5.000 4.809 4.666 4.890 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL QG 1 67 ALA H 4.000 . 5.500 3.865 2.277 4.285 . 0 0 "[ . 1 . 2]" 1
16 1 3 VAL H 1 67 ALA H 2.500 . 2.900 2.894 2.787 2.982 0.082 8 0 "[ . 1 . 2]" 1
17 1 3 VAL H 1 68 THR HA 3.000 . 3.500 3.495 3.373 3.670 0.170 19 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 4 LYS QB 3.000 . 3.500 2.992 2.657 3.155 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS H 1 4 LYS QG 3.000 . 4.000 2.002 1.817 3.010 . 0 0 "[ . 1 . 2]" 1
20 1 4 LYS H 1 5 GLN HA 3.600 2.400 4.800 5.033 4.968 5.178 0.378 19 0 "[ . 1 . 2]" 1
21 1 4 LYS QG 1 5 GLN H 3.000 . 4.000 3.823 3.387 4.298 0.298 4 0 "[ . 1 . 2]" 1
22 1 4 LYS H 1 5 GLN QB 4.000 2.800 5.200 5.092 4.633 5.477 0.277 13 0 "[ . 1 . 2]" 1
23 1 4 LYS QB 1 5 GLN H 3.000 . 3.500 2.395 2.135 2.903 . 0 0 "[ . 1 . 2]" 1
24 1 4 LYS HA 1 5 GLN H 2.500 . 2.900 2.424 2.223 2.534 . 0 0 "[ . 1 . 2]" 1
25 1 4 LYS QB 1 65 VAL H 4.000 . 5.000 4.388 4.141 4.893 . 0 0 "[ . 1 . 2]" 1
26 1 4 LYS HA 1 65 VAL H 4.000 . 5.000 5.044 4.873 5.125 0.125 12 0 "[ . 1 . 2]" 1
27 1 4 LYS H 1 66 GLU HA 4.000 . 5.000 4.431 4.314 4.606 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS HA 1 66 GLU H 4.000 . 5.000 4.607 4.566 4.706 . 0 0 "[ . 1 . 2]" 1
29 1 4 LYS QB 1 67 ALA H 4.000 . 5.000 3.996 3.597 5.089 0.089 7 0 "[ . 1 . 2]" 1
30 1 4 LYS H 1 67 ALA H 3.700 2.500 4.900 4.690 4.537 4.921 0.021 4 0 "[ . 1 . 2]" 1
31 1 4 LYS H 1 76 LEU QD 3.000 . 3.500 3.818 3.656 4.096 0.596 19 2 "[ .- 1 . +2]" 1
32 1 5 GLN H 1 5 GLN QG 3.000 . 4.000 3.851 3.356 4.258 0.258 11 0 "[ . 1 . 2]" 1
33 1 5 GLN H 1 5 GLN QB 2.500 . 2.900 2.813 2.677 2.889 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLN QB 1 6 THR H 3.000 . 3.500 3.385 3.091 3.701 0.201 19 0 "[ . 1 . 2]" 1
35 1 5 GLN QG 1 6 THR H 2.500 . 3.400 3.356 2.340 3.844 0.444 2 0 "[ . 1 . 2]" 1
36 1 5 GLN H 1 64 GLU HA 4.000 . 5.000 4.163 4.024 4.386 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLN QB 1 65 VAL H 3.500 2.300 4.200 4.432 4.072 4.637 0.437 14 0 "[ . 1 . 2]" 1
38 1 5 GLN HA 1 65 VAL H 3.700 2.500 4.900 5.198 5.068 5.279 0.379 17 0 "[ . 1 . 2]" 1
39 1 5 GLN H 1 65 VAL H 2.500 . 2.900 3.239 3.146 3.364 0.464 19 0 "[ . 1 . 2]" 1
40 1 5 GLN H 1 65 VAL QG 3.000 . 4.000 3.989 3.798 4.093 0.093 14 0 "[ . 1 . 2]" 1
41 1 5 GLN H 1 66 GLU HA 3.000 . 3.500 3.848 3.766 3.917 0.417 5 0 "[ . 1 . 2]" 1
42 1 5 GLN QE 1 80 ILE MD 4.000 . 5.500 2.493 1.838 3.078 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLN QE 1 80 ILE MG . . 3.800 3.707 2.736 4.232 0.432 18 0 "[ . 1 . 2]" 1
44 1 6 THR H 1 6 THR MG 3.000 . 4.000 3.493 3.395 3.654 . 0 0 "[ . 1 . 2]" 1
45 1 6 THR H 1 6 THR HB 2.500 . 2.900 3.151 3.063 3.232 0.332 3 0 "[ . 1 . 2]" 1
46 1 6 THR H 1 7 VAL H 4.000 . 5.000 4.524 4.472 4.584 . 0 0 "[ . 1 . 2]" 1
47 1 6 THR H 1 7 VAL QG 4.000 . 5.000 4.214 4.033 4.947 . 0 0 "[ . 1 . 2]" 1
48 1 6 THR HB 1 7 VAL H 3.000 . 3.500 3.669 3.475 3.780 0.280 4 0 "[ . 1 . 2]" 1
49 1 6 THR HA 1 7 VAL H 2.500 . 2.900 2.159 2.149 2.196 . 0 0 "[ . 1 . 2]" 1
50 1 6 THR H 1 7 VAL HA 4.300 3.100 5.500 5.354 5.221 5.412 . 0 0 "[ . 1 . 2]" 1
51 1 6 THR MG 1 62 GLN H 4.000 . 6.500 5.986 5.814 6.231 . 0 0 "[ . 1 . 2]" 1
52 1 6 THR MG 1 62 GLN QE 4.000 . 5.500 4.657 3.449 5.198 . 0 0 "[ . 1 . 2]" 1
53 1 6 THR HA 1 64 GLU H 3.800 2.600 5.000 4.994 4.915 5.098 0.098 10 0 "[ . 1 . 2]" 1
54 1 6 THR H 1 65 VAL HB 4.500 2.300 6.000 6.263 6.102 6.413 0.413 18 0 "[ . 1 . 2]" 1
55 1 6 THR HA 1 65 VAL H 3.000 . 3.500 3.466 3.279 3.625 0.125 18 0 "[ . 1 . 2]" 1
56 1 7 VAL H 1 7 VAL HB 3.000 . 3.500 2.744 2.597 3.364 . 0 0 "[ . 1 . 2]" 1
57 1 7 VAL H 1 7 VAL QG 2.500 . 2.900 2.733 1.992 2.991 0.091 16 0 "[ . 1 . 2]" 1
58 1 7 VAL H 1 8 GLU H 3.600 2.400 4.800 4.304 4.245 4.372 . 0 0 "[ . 1 . 2]" 1
59 1 7 VAL QG 1 8 GLU H 2.500 . 2.900 2.439 2.236 2.673 . 0 0 "[ . 1 . 2]" 1
60 1 7 VAL HA 1 8 GLU H 2.500 . 2.900 2.163 2.149 2.187 . 0 0 "[ . 1 . 2]" 1
61 1 7 VAL H 1 63 ILE HA 4.000 . 5.000 5.154 4.937 5.297 0.297 4 0 "[ . 1 . 2]" 1
62 1 7 VAL H 1 63 ILE QG . . 2.900 2.986 2.855 3.095 0.195 11 0 "[ . 1 . 2]" 1
63 1 7 VAL H 1 63 ILE HB 4.000 . 5.000 5.302 5.131 5.434 0.434 11 0 "[ . 1 . 2]" 1
64 1 7 VAL H 1 63 ILE MD 4.000 . 5.500 4.473 4.352 4.552 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL H 1 64 GLU HA 3.000 . 3.500 3.600 3.442 3.739 0.239 4 0 "[ . 1 . 2]" 1
66 1 7 VAL H 1 65 VAL H 3.200 2.200 4.200 3.990 3.802 4.106 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL QG 1 83 PHE H 3.500 2.300 4.700 4.588 4.276 4.761 0.061 8 0 "[ . 1 . 2]" 1
68 1 7 VAL QG 1 84 ASN H 3.600 2.400 4.800 4.568 4.208 4.796 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL QG 1 85 SER H 4.800 2.600 6.000 6.144 5.761 6.335 0.335 10 0 "[ . 1 . 2]" 1
70 1 8 GLU H 1 8 GLU QG 3.000 . 3.500 2.554 1.785 3.971 0.471 1 0 "[ . 1 . 2]" 1
71 1 8 GLU H 1 8 GLU QB 2.500 . 3.400 2.452 2.259 2.627 . 0 0 "[ . 1 . 2]" 1
72 1 8 GLU QB 1 9 ILE H 3.000 . 4.000 3.213 2.989 3.768 . 0 0 "[ . 1 . 2]" 1
73 1 8 GLU HA 1 9 ILE H 2.500 . 2.900 2.168 2.145 2.194 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLU H 1 62 GLN HA 4.000 . 5.000 5.113 4.971 5.213 0.213 3 0 "[ . 1 . 2]" 1
75 1 9 ILE H 1 9 ILE MD 3.000 . 4.000 3.503 2.787 3.910 . 0 0 "[ . 1 . 2]" 1
76 1 9 ILE H 1 9 ILE MG 3.000 . 4.000 3.701 3.651 3.803 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE H 1 9 ILE QG 2.500 . 3.400 2.645 2.185 2.853 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE H 1 9 ILE HB 2.500 . 2.900 2.342 2.251 2.617 . 0 0 "[ . 1 . 2]" 1
79 1 9 ILE MD 1 10 THR H 4.000 . 5.500 3.492 2.988 5.203 . 0 0 "[ . 1 . 2]" 1
80 1 9 ILE HB 1 10 THR H 3.600 2.400 4.800 4.410 4.227 4.483 . 0 0 "[ . 1 . 2]" 1
81 1 9 ILE HA 1 10 THR H 3.000 . 3.500 2.152 2.144 2.177 . 0 0 "[ . 1 . 2]" 1
82 1 9 ILE MD 1 11 ASN H 4.000 . 6.500 5.408 4.276 6.119 . 0 0 "[ . 1 . 2]" 1
83 1 9 ILE MG 1 12 LYS H 4.000 . 6.500 2.525 1.884 3.334 . 0 0 "[ . 1 . 2]" 1
84 1 9 ILE QG 1 12 LYS H 4.000 . 5.500 5.356 4.503 5.719 0.219 8 0 "[ . 1 . 2]" 1
85 1 9 ILE QG 1 59 LYS H 4.000 . 6.500 5.878 5.549 6.553 0.053 7 0 "[ . 1 . 2]" 1
86 1 9 ILE MG 1 59 LYS H 4.000 . 5.500 4.071 3.860 4.727 . 0 0 "[ . 1 . 2]" 1
87 1 9 ILE H 1 60 GLY QA 4.000 . 6.000 4.579 4.361 4.776 . 0 0 "[ . 1 . 2]" 1
88 1 9 ILE QG 1 60 GLY H 4.000 . 6.500 4.393 4.058 4.741 . 0 0 "[ . 1 . 2]" 1
89 1 9 ILE MG 1 60 GLY H 4.000 . 5.500 1.900 1.552 2.832 0.248 13 0 "[ . 1 . 2]" 1
90 1 9 ILE HB 1 60 GLY H 3.000 . 3.500 2.745 2.405 2.928 . 0 0 "[ . 1 . 2]" 1
91 1 9 ILE H 1 61 ARG QG 4.500 2.300 6.000 6.031 5.738 6.246 0.246 7 0 "[ . 1 . 2]" 1
92 1 9 ILE MG 1 61 ARG H 4.000 . 5.500 3.173 2.787 3.968 . 0 0 "[ . 1 . 2]" 1
93 1 9 ILE QG 1 61 ARG H 4.000 . 5.500 4.155 3.603 4.828 . 0 0 "[ . 1 . 2]" 1
94 1 9 ILE H 1 61 ARG QB 4.000 . 5.000 4.910 4.682 5.090 0.090 18 0 "[ . 1 . 2]" 1
95 1 9 ILE H 1 62 GLN HA 3.000 . 3.500 2.932 2.761 3.049 . 0 0 "[ . 1 . 2]" 1
96 1 9 ILE MD 1 63 ILE H 4.000 . 5.500 4.567 3.942 5.160 . 0 0 "[ . 1 . 2]" 1
97 1 9 ILE QG 1 63 ILE H 3.000 . 4.000 3.612 3.220 3.949 . 0 0 "[ . 1 . 2]" 1
98 1 10 THR H 1 10 THR MG 3.000 . 4.000 3.224 1.719 3.880 0.081 1 0 "[ . 1 . 2]" 1
99 1 10 THR H 1 10 THR HB 2.500 . 2.900 2.787 2.318 3.123 0.223 2 0 "[ . 1 . 2]" 1
100 1 10 THR HA 1 60 GLY H 4.000 . 5.000 3.966 3.294 4.619 . 0 0 "[ . 1 . 2]" 1
101 1 11 ASN QB 1 12 LYS H 3.000 . 4.000 3.629 2.389 3.888 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASN HA 1 12 LYS H 2.500 . 2.900 3.057 2.854 3.560 0.660 18 2 "[ . -1 . + 2]" 1
103 1 12 LYS H 1 12 LYS QG 3.000 . 4.000 3.281 1.761 4.300 0.300 12 0 "[ . 1 . 2]" 1
104 1 12 LYS H 1 12 LYS QB 3.000 . 4.000 3.224 2.469 3.491 . 0 0 "[ . 1 . 2]" 1
105 1 12 LYS QG 1 13 LEU H 4.000 . 5.500 3.210 1.767 4.210 0.033 12 0 "[ . 1 . 2]" 1
106 1 12 LYS QB 1 13 LEU H 3.000 . 4.000 2.431 1.724 4.005 0.076 6 0 "[ . 1 . 2]" 1
107 1 12 LYS QG 1 14 GLY H 4.000 . 5.000 4.014 1.719 4.863 0.081 1 0 "[ . 1 . 2]" 1
108 1 12 LYS H 1 14 GLY H 3.700 2.500 4.600 4.440 4.250 4.913 0.313 9 0 "[ . 1 . 2]" 1
109 1 13 LEU H 1 13 LEU QD 3.000 . 3.500 2.831 1.760 3.641 0.141 10 0 "[ . 1 . 2]" 1
110 1 13 LEU H 1 13 LEU QB 2.500 . 3.400 2.373 2.044 2.629 . 0 0 "[ . 1 . 2]" 1
111 1 13 LEU H 1 14 GLY QA 4.000 . 6.000 4.669 4.480 4.829 . 0 0 "[ . 1 . 2]" 1
112 1 13 LEU QD 1 14 GLY H 4.000 . 5.000 4.219 3.881 4.492 . 0 0 "[ . 1 . 2]" 1
113 1 13 LEU QB 1 14 GLY H 3.000 . 4.000 3.386 2.597 3.764 . 0 0 "[ . 1 . 2]" 1
114 1 13 LEU HA 1 14 GLY H 3.000 . 3.500 3.241 2.990 3.538 0.038 9 0 "[ . 1 . 2]" 1
115 1 14 GLY H 1 15 MET H 3.300 2.100 4.000 4.198 3.834 4.412 0.412 1 0 "[ . 1 . 2]" 1
116 1 14 GLY QA 1 15 MET H 2.500 . 3.400 2.171 2.121 2.290 . 0 0 "[ . 1 . 2]" 1
117 1 15 MET H 1 15 MET QB 2.500 . 2.900 2.374 2.259 2.523 . 0 0 "[ . 1 . 2]" 1
118 1 15 MET H 1 82 LEU QD 3.500 2.300 4.200 4.251 3.882 4.515 0.315 8 0 "[ . 1 . 2]" 1
119 1 16 HIS QB 1 17 ALA H 4.000 . 6.500 2.502 1.715 4.026 0.085 20 0 "[ . 1 . 2]" 1
120 1 16 HIS HA 1 17 ALA H 3.000 . 3.500 3.117 2.319 3.549 0.049 6 0 "[ . 1 . 2]" 1
121 1 17 ALA H 1 17 ALA MB 3.000 . 4.000 2.643 2.074 2.970 . 0 0 "[ . 1 . 2]" 1
122 1 19 PRO QB 1 21 MET H 3.600 2.400 4.800 4.653 4.446 5.104 0.304 8 0 "[ . 1 . 2]" 1
123 1 20 ALA H 1 20 ALA MB 3.000 . 4.000 2.073 2.027 2.225 . 0 0 "[ . 1 . 2]" 1
124 1 20 ALA HA 1 21 MET H 3.000 . 3.500 3.556 3.540 3.573 0.073 8 0 "[ . 1 . 2]" 1
125 1 20 ALA MB 1 21 MET H 3.000 . 4.000 2.528 2.306 2.651 . 0 0 "[ . 1 . 2]" 1
126 1 21 MET H 1 21 MET QG 3.000 . 3.500 2.506 2.354 2.698 . 0 0 "[ . 1 . 2]" 1
127 1 21 MET H 1 21 MET QB 2.500 . 3.400 2.269 2.205 2.324 . 0 0 "[ . 1 . 2]" 1
128 1 21 MET H 1 52 LEU QD 4.000 . 5.500 3.846 3.557 4.131 . 0 0 "[ . 1 . 2]" 1
129 1 22 LYS QG 1 23 LEU H 3.500 2.300 4.200 4.026 3.559 4.260 0.060 5 0 "[ . 1 . 2]" 1
130 1 22 LYS HA 1 23 LEU H 3.000 . 3.500 3.529 3.512 3.540 0.040 4 0 "[ . 1 . 2]" 1
131 1 23 LEU H 1 23 LEU QD 3.000 . 3.500 3.492 3.382 3.579 0.079 18 0 "[ . 1 . 2]" 1
132 1 23 LEU H 1 23 LEU QB 2.500 . 2.900 2.097 2.070 2.147 . 0 0 "[ . 1 . 2]" 1
133 1 23 LEU H 1 24 PHE QB 4.000 . 5.500 4.603 4.515 4.673 . 0 0 "[ . 1 . 2]" 1
134 1 23 LEU HA 1 24 PHE H 3.000 . 3.500 3.557 3.548 3.569 0.069 17 0 "[ . 1 . 2]" 1
135 1 23 LEU QD 1 24 PHE H 3.500 2.300 4.700 3.933 3.835 4.033 . 0 0 "[ . 1 . 2]" 1
136 1 23 LEU QB 1 24 PHE H . . 2.900 2.619 2.518 2.680 . 0 0 "[ . 1 . 2]" 1
137 1 23 LEU H 1 24 PHE H 2.500 . 2.900 2.883 2.801 2.940 0.040 17 0 "[ . 1 . 2]" 1
138 1 23 LEU HA 1 26 LEU H 2.800 . 3.800 3.219 3.065 3.324 . 0 0 "[ . 1 . 2]" 1
139 1 23 LEU QD 1 66 GLU H 4.800 3.600 6.000 6.016 5.738 6.276 0.276 8 0 "[ . 1 . 2]" 1
140 1 23 LEU QD 1 76 LEU H 4.000 . 5.000 5.532 5.344 5.647 0.647 18 15 "[ * **** 1*******+-*]" 1
141 1 23 LEU HG 1 79 VAL H 4.000 . 5.000 5.365 5.254 5.569 0.569 17 2 "[ . - 1 . + 2]" 1
142 1 24 PHE H 1 24 PHE QD 3.000 . 4.000 2.311 2.012 2.555 . 0 0 "[ . 1 . 2]" 1
143 1 24 PHE H 1 24 PHE QB 2.500 . 3.400 2.190 2.135 2.227 . 0 0 "[ . 1 . 2]" 1
144 1 24 PHE H 1 25 GLU QB 4.000 . 5.500 4.677 4.529 4.826 . 0 0 "[ . 1 . 2]" 1
145 1 24 PHE QD 1 25 GLU H 4.000 . 5.500 4.457 4.379 4.557 . 0 0 "[ . 1 . 2]" 1
146 1 24 PHE HA 1 25 GLU H 3.000 . 3.500 3.538 3.527 3.549 0.049 8 0 "[ . 1 . 2]" 1
147 1 24 PHE QB 1 25 GLU H 3.000 . 4.000 2.683 2.624 2.756 . 0 0 "[ . 1 . 2]" 1
148 1 24 PHE QB 1 26 LEU H 4.000 . 5.500 4.617 4.552 4.657 . 0 0 "[ . 1 . 2]" 1
149 1 24 PHE HA 1 26 LEU H 3.700 2.500 4.900 4.417 4.305 4.493 . 0 0 "[ . 1 . 2]" 1
150 1 24 PHE HA 1 27 MET H 3.000 . 3.500 3.702 3.580 3.914 0.414 15 0 "[ . 1 . 2]" 1
151 1 25 GLU H 1 25 GLU QG 3.000 . 4.000 2.860 2.305 4.047 0.047 10 0 "[ . 1 . 2]" 1
152 1 25 GLU H 1 25 GLU QB 2.500 . 3.400 2.320 2.268 2.373 . 0 0 "[ . 1 . 2]" 1
153 1 25 GLU QB 1 26 LEU H 2.500 . 3.400 2.684 2.602 2.770 . 0 0 "[ . 1 . 2]" 1
154 1 25 GLU HA 1 27 MET H 3.600 2.400 4.800 4.453 4.384 4.575 . 0 0 "[ . 1 . 2]" 1
155 1 25 GLU HA 1 28 GLN H 3.000 . 3.500 3.517 3.424 3.674 0.174 6 0 "[ . 1 . 2]" 1
156 1 26 LEU H 1 26 LEU QD 3.000 . 3.500 2.922 2.160 3.601 0.101 17 0 "[ . 1 . 2]" 1
157 1 26 LEU H 1 26 LEU QB 2.500 . 3.400 2.322 2.055 2.477 . 0 0 "[ . 1 . 2]" 1
158 1 26 LEU H 1 27 MET QG 4.000 . 5.500 4.635 4.295 5.897 0.397 1 0 "[ . 1 . 2]" 1
159 1 26 LEU QB 1 27 MET H . . 2.900 2.532 2.358 2.702 . 0 0 "[ . 1 . 2]" 1
160 1 26 LEU QD 1 27 MET H 3.800 2.600 4.500 4.000 3.795 4.074 . 0 0 "[ . 1 . 2]" 1
161 1 26 LEU HA 1 27 MET H 3.000 . 3.500 3.550 3.538 3.565 0.065 15 0 "[ . 1 . 2]" 1
162 1 26 LEU QB 1 28 GLN H 4.000 . 5.500 4.538 4.369 4.612 . 0 0 "[ . 1 . 2]" 1
163 1 26 LEU HA 1 28 GLN H 3.000 . 3.500 4.087 3.913 4.259 0.759 8 15 "[ *** *+ *****.-****]" 1
164 1 26 LEU H 1 28 GLN H 3.100 2.100 4.100 4.056 3.964 4.135 0.035 6 0 "[ . 1 . 2]" 1
165 1 27 MET H 1 27 MET QG 2.500 . 3.400 2.542 2.109 3.803 0.403 1 0 "[ . 1 . 2]" 1
166 1 27 MET H 1 27 MET QB 2.500 . 3.400 2.288 2.053 2.432 . 0 0 "[ . 1 . 2]" 1
167 1 27 MET QG 1 28 GLN H 4.000 . 5.500 3.854 1.883 4.572 . 0 0 "[ . 1 . 2]" 1
168 1 27 MET HA 1 28 GLN H 3.000 . 3.500 3.515 3.487 3.529 0.029 7 0 "[ . 1 . 2]" 1
169 1 27 MET H 1 28 GLN H 2.500 . 2.900 2.715 2.657 2.773 . 0 0 "[ . 1 . 2]" 1
170 1 27 MET HA 1 29 GLY H 4.000 . 5.000 4.515 4.276 4.694 . 0 0 "[ . 1 . 2]" 1
171 1 27 MET H 1 29 GLY H 3.600 2.400 4.800 4.256 4.104 4.332 . 0 0 "[ . 1 . 2]" 1
172 1 27 MET HA 1 30 PHE H 4.000 . 5.000 3.512 3.084 3.789 . 0 0 "[ . 1 . 2]" 1
173 1 27 MET HA 1 34 VAL H 4.000 . 6.000 5.417 4.896 5.937 . 0 0 "[ . 1 . 2]" 1
174 1 28 GLN H 1 28 GLN QG 3.200 2.300 4.100 3.046 2.158 4.085 0.142 6 0 "[ . 1 . 2]" 1
175 1 28 GLN H 1 28 GLN QB 2.500 . 3.400 2.323 2.155 2.466 . 0 0 "[ . 1 . 2]" 1
176 1 28 GLN QG 1 29 GLY H 4.000 . 5.500 3.942 3.610 4.210 . 0 0 "[ . 1 . 2]" 1
177 1 28 GLN HA 1 29 GLY H 3.000 . 3.500 3.543 3.514 3.554 0.054 19 0 "[ . 1 . 2]" 1
178 1 28 GLN QB 1 29 GLY H 3.000 . 4.000 2.544 2.474 2.714 . 0 0 "[ . 1 . 2]" 1
179 1 28 GLN HA 1 30 PHE H 4.000 . 5.000 4.439 4.288 4.577 . 0 0 "[ . 1 . 2]" 1
180 1 29 GLY H 1 30 PHE QB 4.000 . 6.500 4.558 4.047 4.850 . 0 0 "[ . 1 . 2]" 1
181 1 29 GLY QA 1 30 PHE H 3.000 . 3.500 2.783 2.708 2.873 . 0 0 "[ . 1 . 2]" 1
182 1 30 PHE H 1 30 PHE QD 3.000 . 4.000 2.774 2.300 3.161 . 0 0 "[ . 1 . 2]" 1
183 1 30 PHE H 1 30 PHE QB 3.000 . 4.000 2.463 2.225 2.601 . 0 0 "[ . 1 . 2]" 1
184 1 30 PHE H 1 31 ASP H 4.000 . 5.000 4.516 4.391 4.570 . 0 0 "[ . 1 . 2]" 1
185 1 30 PHE QB 1 31 ASP H 3.000 . 4.000 2.861 2.394 3.392 . 0 0 "[ . 1 . 2]" 1
186 1 30 PHE HA 1 31 ASP H 2.500 . 2.900 2.266 2.147 2.424 . 0 0 "[ . 1 . 2]" 1
187 1 30 PHE QB 1 32 ALA H 3.000 . 4.000 4.154 4.069 4.323 0.323 14 0 "[ . 1 . 2]" 1
188 1 30 PHE QB 1 74 GLU H 4.000 . 5.500 5.499 4.918 6.136 0.636 8 5 "[ . *+ 1- *. * 2]" 1
189 1 30 PHE QB 1 75 ALA H 4.000 . 5.500 3.891 3.528 4.217 . 0 0 "[ . 1 . 2]" 1
190 1 30 PHE QD 1 75 ALA H 4.000 . 5.500 3.153 2.523 3.518 . 0 0 "[ . 1 . 2]" 1
191 1 30 PHE QE 1 75 ALA H 3.000 . 4.000 4.405 3.667 4.854 0.854 9 12 "[**- ** +* * ** **]" 1
192 1 31 ASP H 1 31 ASP QB 2.500 . 2.900 2.362 2.268 2.548 . 0 0 "[ . 1 . 2]" 1
193 1 31 ASP H 1 32 ALA HA 4.500 2.300 6.000 5.696 5.530 5.896 . 0 0 "[ . 1 . 2]" 1
194 1 31 ASP H 1 32 ALA MB 4.000 . 5.500 4.021 3.823 4.185 . 0 0 "[ . 1 . 2]" 1
195 1 31 ASP QB 1 32 ALA H . . 3.500 3.759 3.700 4.017 0.517 1 1 "[+ . 1 . 2]" 1
196 1 31 ASP H 1 32 ALA H 4.000 . 5.000 4.096 3.983 4.236 . 0 0 "[ . 1 . 2]" 1
197 1 31 ASP HA 1 32 ALA H 2.500 . 2.900 2.237 2.207 2.259 . 0 0 "[ . 1 . 2]" 1
198 1 31 ASP H 1 70 PRO QB 4.000 . 5.000 4.750 4.366 5.612 0.612 13 2 "[ . 1- + . 2]" 1
199 1 31 ASP H 1 71 GLN HA 4.000 . 5.000 5.022 4.902 5.285 0.285 14 0 "[ . 1 . 2]" 1
200 1 31 ASP H 1 71 GLN H 4.000 . 5.000 3.841 3.572 4.330 . 0 0 "[ . 1 . 2]" 1
201 1 31 ASP HA 1 71 GLN H 3.700 2.500 4.900 5.006 4.825 5.178 0.278 4 0 "[ . 1 . 2]" 1
202 1 31 ASP QB 1 71 GLN H 3.000 . 3.500 3.129 2.903 3.445 . 0 0 "[ . 1 . 2]" 1
203 1 31 ASP H 1 71 GLN QE 3.000 . 3.500 2.793 1.855 3.667 0.167 6 0 "[ . 1 . 2]" 1
204 1 31 ASP H 1 71 GLN QB 3.000 . 4.000 2.233 2.011 2.575 . 0 0 "[ . 1 . 2]" 1
205 1 31 ASP H 1 75 ALA MB 4.000 . 6.500 5.453 5.143 5.871 . 0 0 "[ . 1 . 2]" 1
206 1 32 ALA H 1 32 ALA MB 2.500 . 3.400 2.953 2.913 3.006 . 0 0 "[ . 1 . 2]" 1
207 1 32 ALA H 1 33 GLU QB 4.000 . 5.000 5.145 5.056 5.202 0.202 4 0 "[ . 1 . 2]" 1
208 1 32 ALA H 1 33 GLU H 4.000 . 5.000 4.230 4.184 4.271 . 0 0 "[ . 1 . 2]" 1
209 1 32 ALA MB 1 33 GLU H 2.500 . 3.400 2.654 2.562 2.719 . 0 0 "[ . 1 . 2]" 1
210 1 32 ALA HA 1 33 GLU H 2.500 . 2.900 2.306 2.275 2.344 . 0 0 "[ . 1 . 2]" 1
211 1 32 ALA HA 1 34 VAL H 4.700 2.500 5.900 6.123 6.030 6.210 0.310 9 0 "[ . 1 . 2]" 1
212 1 32 ALA H 1 34 VAL H 4.600 3.200 6.000 6.164 6.043 6.282 0.282 9 0 "[ . 1 . 2]" 1
213 1 32 ALA HA 1 68 THR H 4.000 . 5.000 4.570 4.457 4.721 . 0 0 "[ . 1 . 2]" 1
214 1 32 ALA MB 1 69 GLY H 3.000 . 4.000 3.449 3.313 3.768 . 0 0 "[ . 1 . 2]" 1
215 1 32 ALA HA 1 69 GLY H 3.500 2.300 4.700 4.603 4.488 4.782 0.082 17 0 "[ . 1 . 2]" 1
216 1 32 ALA HA 1 71 GLN H 4.000 . 5.000 4.585 4.401 4.868 . 0 0 "[ . 1 . 2]" 1
217 1 32 ALA MB 1 71 GLN H 3.000 . 4.000 2.786 2.541 3.041 . 0 0 "[ . 1 . 2]" 1
218 1 32 ALA HA 1 72 GLU H 4.000 . 5.000 5.000 4.759 5.226 0.226 10 0 "[ . 1 . 2]" 1
219 1 32 ALA MB 1 72 GLU H 3.000 . 4.000 2.610 2.378 2.767 . 0 0 "[ . 1 . 2]" 1
220 1 32 ALA MB 1 73 GLU H 3.500 . 5.000 4.596 4.533 4.726 . 0 0 "[ . 1 . 2]" 1
221 1 32 ALA H 1 75 ALA MB 4.000 . 5.500 5.234 5.006 5.520 0.020 4 0 "[ . 1 . 2]" 1
222 1 32 ALA MB 1 75 ALA H 3.000 . 4.000 4.255 4.150 4.410 0.410 4 0 "[ . 1 . 2]" 1
223 1 33 GLU H 1 33 GLU QG 3.000 . 4.000 4.011 3.998 4.082 0.082 4 0 "[ . 1 . 2]" 1
224 1 33 GLU H 1 33 GLU QB 2.500 . 2.900 2.373 2.351 2.394 . 0 0 "[ . 1 . 2]" 1
225 1 33 GLU QG 1 34 VAL H 3.000 . 4.000 2.608 2.425 2.750 . 0 0 "[ . 1 . 2]" 1
226 1 33 GLU QB 1 34 VAL H 3.000 . 4.000 3.709 3.619 3.774 . 0 0 "[ . 1 . 2]" 1
227 1 33 GLU HA 1 34 VAL H 2.500 . 2.900 2.168 2.152 2.200 . 0 0 "[ . 1 . 2]" 1
228 1 33 GLU H 1 67 ALA HA 4.000 . 5.000 4.656 4.550 4.786 . 0 0 "[ . 1 . 2]" 1
229 1 33 GLU H 1 67 ALA MB 3.000 . 4.000 4.674 4.570 4.820 0.820 9 20 [********+***-*******] 1
230 1 33 GLU H 1 68 THR HA 4.000 . 5.000 4.573 4.496 4.662 . 0 0 "[ . 1 . 2]" 1
231 1 33 GLU H 1 68 THR HB 3.000 . 3.500 3.196 3.082 3.301 . 0 0 "[ . 1 . 2]" 1
232 1 33 GLU QB 1 68 THR H 3.000 . 3.500 3.369 3.314 3.447 . 0 0 "[ . 1 . 2]" 1
233 1 33 GLU H 1 69 GLY H 4.000 . 5.000 4.781 4.690 4.913 . 0 0 "[ . 1 . 2]" 1
234 1 33 GLU H 1 69 GLY QA . . 3.500 3.461 3.327 3.648 0.148 13 0 "[ . 1 . 2]" 1
235 1 33 GLU H 1 72 GLU QB 4.000 . 5.000 4.555 4.368 4.675 . 0 0 "[ . 1 . 2]" 1
236 1 33 GLU H 1 72 GLU HA 4.000 . 5.000 5.051 4.907 5.248 0.248 11 0 "[ . 1 . 2]" 1
237 1 34 VAL H 1 34 VAL QG 2.500 . 2.900 2.377 1.747 2.745 0.053 6 0 "[ . 1 . 2]" 1
238 1 34 VAL H 1 34 VAL HB 3.000 2.300 3.700 2.908 2.456 3.708 0.008 6 0 "[ . 1 . 2]" 1
239 1 34 VAL H 1 35 LEU HA 4.000 . 5.000 5.122 5.055 5.165 0.165 4 0 "[ . 1 . 2]" 1
240 1 34 VAL H 1 35 LEU H 4.000 . 5.000 4.501 4.483 4.526 . 0 0 "[ . 1 . 2]" 1
241 1 34 VAL HA 1 35 LEU H 2.500 . 2.900 2.211 2.180 2.248 . 0 0 "[ . 1 . 2]" 1
242 1 34 VAL H 1 46 ALA MB 3.600 2.400 4.800 4.016 3.518 4.715 . 0 0 "[ . 1 . 2]" 1
243 1 34 VAL QG 1 46 ALA H 3.600 2.400 4.300 4.160 3.765 4.357 0.057 1 0 "[ . 1 . 2]" 1
244 1 34 VAL HA 1 66 GLU H 4.000 . 5.000 4.776 4.685 4.897 . 0 0 "[ . 1 . 2]" 1
245 1 34 VAL H 1 67 ALA HA 4.000 . 5.000 4.648 4.619 4.714 . 0 0 "[ . 1 . 2]" 1
246 1 34 VAL HA 1 67 ALA H 4.000 . 5.000 4.753 4.715 4.840 . 0 0 "[ . 1 . 2]" 1
247 1 34 VAL QG 1 67 ALA H 3.600 2.400 4.800 4.732 4.495 5.193 0.393 4 0 "[ . 1 . 2]" 1
248 1 34 VAL HA 1 68 THR H 3.000 . 3.500 3.667 3.572 3.746 0.246 13 0 "[ . 1 . 2]" 1
249 1 34 VAL QG 1 68 THR H 3.000 . 3.500 3.865 3.748 3.994 0.494 11 0 "[ . 1 . 2]" 1
250 1 35 LEU H 1 35 LEU QB . . 2.900 2.605 2.552 2.670 . 0 0 "[ . 1 . 2]" 1
251 1 35 LEU H 1 35 LEU QD 3.000 . 4.000 3.647 3.561 3.800 . 0 0 "[ . 1 . 2]" 1
252 1 35 LEU H 1 36 LEU QD 4.000 . 5.500 4.216 3.253 4.630 . 0 0 "[ . 1 . 2]" 1
253 1 35 LEU H 1 36 LEU H 4.000 . 5.000 4.292 4.223 4.339 . 0 0 "[ . 1 . 2]" 1
254 1 35 LEU QB 1 36 LEU H 3.000 . 4.000 3.678 3.610 3.761 . 0 0 "[ . 1 . 2]" 1
255 1 35 LEU HA 1 36 LEU H 2.500 . 2.900 2.178 2.153 2.206 . 0 0 "[ . 1 . 2]" 1
256 1 35 LEU HG 1 44 ALA H 4.000 . 5.000 4.483 4.220 4.775 . 0 0 "[ . 1 . 2]" 1
257 1 35 LEU QD 1 44 ALA H 4.000 . 5.000 4.148 3.808 4.424 . 0 0 "[ . 1 . 2]" 1
258 1 35 LEU HA 1 46 ALA H 3.000 . 3.500 2.465 2.146 3.036 . 0 0 "[ . 1 . 2]" 1
259 1 35 LEU H 1 66 GLU HA 4.000 . 5.000 4.665 4.571 4.751 . 0 0 "[ . 1 . 2]" 1
260 1 35 LEU H 1 66 GLU QB 3.000 . 4.000 3.509 3.339 3.729 . 0 0 "[ . 1 . 2]" 1
261 1 35 LEU H 1 66 GLU QG 3.000 . 4.000 4.085 3.593 4.220 0.220 20 0 "[ . 1 . 2]" 1
262 1 35 LEU QB 1 66 GLU H 3.000 . 3.500 3.634 3.523 3.716 0.216 6 0 "[ . 1 . 2]" 1
263 1 35 LEU H 1 66 GLU H 3.000 . 3.500 2.971 2.877 3.057 . 0 0 "[ . 1 . 2]" 1
264 1 35 LEU QD 1 66 GLU H 2.500 . 2.900 3.061 2.937 3.329 0.429 5 0 "[ . 1 . 2]" 1
265 1 35 LEU H 1 67 ALA MB 4.000 . 5.500 4.054 3.799 4.156 . 0 0 "[ . 1 . 2]" 1
266 1 35 LEU H 1 67 ALA HA 3.000 . 3.500 3.427 3.276 3.571 0.071 15 0 "[ . 1 . 2]" 1
267 1 36 LEU H 1 36 LEU QD 3.000 . 4.000 2.837 2.143 3.481 . 0 0 "[ . 1 . 2]" 1
268 1 36 LEU H 1 36 LEU QB . . 2.900 2.533 2.282 2.628 . 0 0 "[ . 1 . 2]" 1
269 1 36 LEU QD 1 37 ARG H 3.000 . 4.000 3.573 2.871 3.974 . 0 0 "[ . 1 . 2]" 1
270 1 36 LEU HA 1 37 ARG H 2.500 . 2.900 2.278 2.239 2.308 . 0 0 "[ . 1 . 2]" 1
271 1 36 LEU QD 1 44 ALA H 4.000 . 6.500 4.808 4.490 5.034 . 0 0 "[ . 1 . 2]" 1
272 1 36 LEU QB 1 44 ALA H . . 3.500 3.541 3.306 3.806 0.306 10 0 "[ . 1 . 2]" 1
273 1 36 LEU H 1 44 ALA MB 3.000 . 4.000 4.015 3.868 4.239 0.239 9 0 "[ . 1 . 2]" 1
274 1 36 LEU H 1 44 ALA H 3.000 . 4.000 4.256 4.113 4.429 0.429 7 0 "[ . 1 . 2]" 1
275 1 36 LEU QB 1 46 ALA H 4.000 . 5.000 4.263 3.855 4.422 . 0 0 "[ . 1 . 2]" 1
276 1 36 LEU QD 1 46 ALA H 3.000 . 4.000 3.320 2.171 4.113 0.113 10 0 "[ . 1 . 2]" 1
277 1 36 LEU H 1 65 VAL HA 4.000 . 5.000 5.030 4.868 5.242 0.242 10 0 "[ . 1 . 2]" 1
278 1 36 LEU QB 1 66 GLU H 4.000 . 5.000 5.216 5.016 5.372 0.372 7 0 "[ . 1 . 2]" 1
279 1 37 ARG H 1 37 ARG QD 4.000 . 5.500 4.828 4.403 5.265 . 0 0 "[ . 1 . 2]" 1
280 1 37 ARG H 1 37 ARG QB 3.000 . 3.500 2.723 2.605 3.224 . 0 0 "[ . 1 . 2]" 1
281 1 37 ARG H 1 37 ARG QG 3.000 2.200 3.500 3.552 2.503 3.819 0.319 16 0 "[ . 1 . 2]" 1
282 1 37 ARG QD 1 38 ASN H 4.000 . 6.500 4.741 4.142 5.458 . 0 0 "[ . 1 . 2]" 1
283 1 37 ARG H 1 38 ASN HA 4.000 . 5.000 4.626 4.595 4.678 . 0 0 "[ . 1 . 2]" 1
284 1 37 ARG H 1 38 ASN H 3.600 2.400 4.800 4.252 4.213 4.289 . 0 0 "[ . 1 . 2]" 1
285 1 37 ARG QG 1 38 ASN H 3.000 . 3.500 2.995 2.289 3.886 0.386 10 0 "[ . 1 . 2]" 1
286 1 37 ARG QB 1 38 ASN H 3.000 . 3.500 3.377 2.843 3.634 0.134 7 0 "[ . 1 . 2]" 1
287 1 37 ARG HA 1 38 ASN H 2.500 . 2.900 2.184 2.168 2.240 . 0 0 "[ . 1 . 2]" 1
288 1 37 ARG QG 1 41 GLY H 4.000 . 6.000 4.473 3.345 6.160 0.160 5 0 "[ . 1 . 2]" 1
289 1 37 ARG QB 1 41 GLY H 4.000 . 5.500 5.214 4.617 5.679 0.179 6 0 "[ . 1 . 2]" 1
290 1 37 ARG HA 1 42 THR H 4.000 . 6.000 4.913 4.621 5.136 . 0 0 "[ . 1 . 2]" 1
291 1 37 ARG HA 1 43 GLU H 4.000 . 5.000 4.792 4.560 4.920 . 0 0 "[ . 1 . 2]" 1
292 1 37 ARG QB 1 43 GLU H 4.000 . 5.000 5.119 4.313 5.684 0.684 19 5 "[ * . * 1* -. +2]" 1
293 1 37 ARG H 1 44 ALA MB 4.000 . 5.500 4.241 3.966 4.867 . 0 0 "[ . 1 . 2]" 1
294 1 37 ARG HA 1 44 ALA H 3.000 . 3.500 2.373 2.094 2.694 . 0 0 "[ . 1 . 2]" 1
295 1 37 ARG H 1 63 ILE QG 4.000 . 5.000 4.455 4.260 4.670 . 0 0 "[ . 1 . 2]" 1
296 1 37 ARG H 1 63 ILE HA 3.600 2.400 4.800 4.511 4.377 4.610 . 0 0 "[ . 1 . 2]" 1
297 1 37 ARG HA 1 64 GLU H 4.000 . 6.000 4.469 4.358 4.717 . 0 0 "[ . 1 . 2]" 1
298 1 37 ARG H 1 64 GLU HA 4.000 . 5.000 4.883 4.783 5.094 0.094 10 0 "[ . 1 . 2]" 1
299 1 37 ARG H 1 64 GLU QB 3.000 . 4.000 4.008 3.875 4.139 0.139 8 0 "[ . 1 . 2]" 1
300 1 37 ARG H 1 64 GLU H 2.500 . 2.900 2.783 2.684 2.899 . 0 0 "[ . 1 . 2]" 1
301 1 38 ASN H 1 38 ASN QB 3.000 . 3.500 2.330 2.216 2.449 . 0 0 "[ . 1 . 2]" 1
302 1 38 ASN H 1 39 ASP H 3.600 2.400 4.800 4.590 4.574 4.602 . 0 0 "[ . 1 . 2]" 1
303 1 38 ASN HA 1 39 ASP H 2.500 . 2.900 2.327 2.269 2.373 . 0 0 "[ . 1 . 2]" 1
304 1 38 ASN QB 1 39 ASP H 2.500 . 2.900 2.737 2.476 3.307 0.407 5 0 "[ . 1 . 2]" 1
305 1 38 ASN HA 1 40 GLU H 4.000 . 6.000 4.052 3.929 4.211 . 0 0 "[ . 1 . 2]" 1
306 1 38 ASN H 1 40 GLU QB 4.000 . 6.000 5.042 4.881 5.279 . 0 0 "[ . 1 . 2]" 1
307 1 38 ASN QD 1 40 GLU QG 4.000 . 5.500 4.601 3.405 5.191 . 0 0 "[ . 1 . 2]" 1
308 1 38 ASN H 1 40 GLU H 4.000 . 5.000 4.791 4.600 5.046 0.046 14 0 "[ . 1 . 2]" 1
309 1 38 ASN QB 1 40 GLU H 3.000 . 3.500 2.488 2.380 2.705 . 0 0 "[ . 1 . 2]" 1
310 1 38 ASN H 1 42 THR MG 4.000 . 6.500 3.671 3.364 4.265 . 0 0 "[ . 1 . 2]" 1
311 1 38 ASN QD 1 42 THR MG 4.000 . 5.500 3.240 2.489 4.025 . 0 0 "[ . 1 . 2]" 1
312 1 38 ASN H 1 42 THR HB 4.000 . 5.000 3.404 3.116 3.698 . 0 0 "[ . 1 . 2]" 1
313 1 38 ASN QD 1 42 THR HB 3.000 . 3.300 3.066 2.317 3.506 0.206 4 0 "[ . 1 . 2]" 1
314 1 38 ASN H 1 42 THR H 3.000 . 3.500 3.182 2.912 3.392 . 0 0 "[ . 1 . 2]" 1
315 1 38 ASN H 1 43 GLU HA 3.500 2.300 4.700 3.835 3.637 4.119 . 0 0 "[ . 1 . 2]" 1
316 1 38 ASN QD 1 54 MET QG 4.000 . 5.500 4.692 3.267 5.577 0.077 2 0 "[ . 1 . 2]" 1
317 1 38 ASN QD 1 61 ARG QB 4.000 . 5.000 4.405 2.865 5.081 0.081 7 0 "[ . 1 . 2]" 1
318 1 38 ASN H 1 63 ILE MD 4.000 . 6.500 6.004 5.904 6.183 . 0 0 "[ . 1 . 2]" 1
319 1 39 ASP H 1 39 ASP QB . . 2.900 2.314 2.119 2.511 . 0 0 "[ . 1 . 2]" 1
320 1 39 ASP H 1 40 GLU QG 4.000 . 5.500 4.206 3.945 5.374 . 0 0 "[ . 1 . 2]" 1
321 1 39 ASP QB 1 40 GLU H 4.000 . 5.000 3.053 2.638 3.612 . 0 0 "[ . 1 . 2]" 1
322 1 39 ASP H 1 40 GLU H 3.000 . 3.500 2.727 2.643 2.806 . 0 0 "[ . 1 . 2]" 1
323 1 39 ASP H 1 61 ARG QB 4.000 . 6.000 3.679 3.317 3.995 . 0 0 "[ . 1 . 2]" 1
324 1 39 ASP QB 1 62 GLN H 4.000 . 5.000 2.895 2.363 3.616 . 0 0 "[ . 1 . 2]" 1
325 1 39 ASP H 1 62 GLN H 3.000 . 3.500 3.958 3.817 4.113 0.613 3 5 "[ + .* ** - 2]" 1
326 1 39 ASP H 1 63 ILE MD 4.500 2.300 6.000 5.984 5.824 6.176 0.176 15 0 "[ . 1 . 2]" 1
327 1 39 ASP H 1 63 ILE HA 4.000 . 5.000 3.069 2.894 3.333 . 0 0 "[ . 1 . 2]" 1
328 1 39 ASP H 1 64 GLU QG 4.000 . 5.500 4.744 4.316 5.379 . 0 0 "[ . 1 . 2]" 1
329 1 40 GLU H 1 40 GLU QB 3.000 . 4.000 2.413 2.341 2.485 . 0 0 "[ . 1 . 2]" 1
330 1 40 GLU H 1 40 GLU QG 3.000 . 4.000 2.206 2.004 3.214 . 0 0 "[ . 1 . 2]" 1
331 1 40 GLU HA 1 41 GLY H 3.000 . 3.500 3.372 3.271 3.454 . 0 0 "[ . 1 . 2]" 1
332 1 40 GLU H 1 41 GLY H 2.500 . 2.900 2.593 2.525 2.680 . 0 0 "[ . 1 . 2]" 1
333 1 40 GLU QB 1 42 THR H 3.000 . 3.500 2.893 2.714 3.081 . 0 0 "[ . 1 . 2]" 1
334 1 40 GLU H 1 42 THR H 3.000 . 3.500 3.661 3.567 3.743 0.243 10 0 "[ . 1 . 2]" 1
335 1 40 GLU H 1 61 ARG QB 3.500 2.300 4.700 4.631 4.391 4.819 0.119 15 0 "[ . 1 . 2]" 1
336 1 41 GLY H 1 42 THR HA 4.000 . 5.000 4.951 4.799 5.071 0.071 4 0 "[ . 1 . 2]" 1
337 1 41 GLY H 1 42 THR HB 4.000 . 5.000 4.275 4.058 4.471 . 0 0 "[ . 1 . 2]" 1
338 1 41 GLY QA 1 42 THR H 3.000 . 3.500 2.897 2.858 2.920 . 0 0 "[ . 1 . 2]" 1
339 1 41 GLY H 1 42 THR H 2.500 . 2.900 2.241 2.069 2.385 . 0 0 "[ . 1 . 2]" 1
340 1 42 THR H 1 42 THR MG 3.000 . 4.000 3.662 3.605 3.758 . 0 0 "[ . 1 . 2]" 1
341 1 42 THR H 1 42 THR HB 2.500 . 2.900 2.288 2.225 2.443 . 0 0 "[ . 1 . 2]" 1
342 1 42 THR HB 1 43 GLU H 3.500 2.300 4.200 4.469 4.375 4.516 0.316 7 0 "[ . 1 . 2]" 1
343 1 42 THR MG 1 43 GLU H 2.500 . 3.400 2.886 2.762 2.978 . 0 0 "[ . 1 . 2]" 1
344 1 42 THR HA 1 43 GLU H 2.500 . 2.900 2.153 2.147 2.159 . 0 0 "[ . 1 . 2]" 1
345 1 43 GLU H 1 43 GLU QG 3.000 . 3.500 2.384 1.769 3.956 0.456 11 0 "[ . 1 . 2]" 1
346 1 43 GLU QG 1 44 ALA H 4.000 . 5.500 4.227 3.215 4.907 . 0 0 "[ . 1 . 2]" 1
347 1 43 GLU QB 1 44 ALA H 3.000 . 4.000 3.617 3.556 3.954 . 0 0 "[ . 1 . 2]" 1
348 1 43 GLU HA 1 44 ALA H 2.500 . 2.900 2.180 2.168 2.200 . 0 0 "[ . 1 . 2]" 1
349 1 44 ALA H 1 44 ALA MB 3.000 . 4.000 2.199 2.132 2.299 . 0 0 "[ . 1 . 2]" 1
350 1 44 ALA MB 1 46 ALA H 4.000 . 5.500 4.947 4.884 4.996 . 0 0 "[ . 1 . 2]" 1
351 1 44 ALA MB 1 51 ALA H 3.800 2.600 5.000 4.992 4.456 5.315 0.315 7 0 "[ . 1 . 2]" 1
352 1 44 ALA H 1 54 MET QB 4.500 2.300 6.000 5.857 5.401 6.169 0.169 18 0 "[ . 1 . 2]" 1
353 1 46 ALA H 1 46 ALA MB 2.500 . 3.400 2.122 2.027 2.237 . 0 0 "[ . 1 . 2]" 1
354 1 46 ALA MB 1 48 SER H 4.000 . 5.500 4.387 3.994 4.717 . 0 0 "[ . 1 . 2]" 1
355 1 46 ALA HA 1 48 SER H 3.000 . 3.500 3.526 3.245 3.872 0.372 3 0 "[ . 1 . 2]" 1
356 1 46 ALA H 1 48 SER H 3.600 2.400 4.800 4.625 4.009 5.047 0.247 3 0 "[ . 1 . 2]" 1
357 1 46 ALA H 1 51 ALA MB 4.000 . 5.500 4.618 4.365 4.802 . 0 0 "[ . 1 . 2]" 1
358 1 47 ASN QB 1 48 SER H 4.000 . 5.000 3.912 3.454 4.052 . 0 0 "[ . 1 . 2]" 1
359 1 47 ASN HA 1 48 SER H 3.000 . 3.500 2.959 2.744 3.263 . 0 0 "[ . 1 . 2]" 1
360 1 48 SER H 1 48 SER QB 3.000 . 3.500 2.683 2.436 3.345 . 0 0 "[ . 1 . 2]" 1
361 1 48 SER QB 1 49 VAL H 4.000 . 5.500 3.592 3.173 3.817 . 0 0 "[ . 1 . 2]" 1
362 1 48 SER HA 1 49 VAL H 3.000 . 3.500 2.153 2.146 2.176 . 0 0 "[ . 1 . 2]" 1
363 1 48 SER HA 1 50 ILE H 4.000 . 5.000 3.804 3.689 3.896 . 0 0 "[ . 1 . 2]" 1
364 1 48 SER QB 1 50 ILE H 3.000 . 4.000 3.585 2.754 4.086 0.086 7 0 "[ . 1 . 2]" 1
365 1 48 SER HA 1 51 ALA H 3.500 2.300 4.700 4.432 4.336 4.585 . 0 0 "[ . 1 . 2]" 1
366 1 48 SER QB 1 51 ALA H 3.000 . 3.500 2.849 2.207 3.324 . 0 0 "[ . 1 . 2]" 1
367 1 48 SER H 1 51 ALA MB 3.000 . 4.000 3.435 3.255 3.726 . 0 0 "[ . 1 . 2]" 1
368 1 48 SER H 1 52 LEU QD 4.000 . 5.500 4.461 3.311 5.534 0.034 12 0 "[ . 1 . 2]" 1
369 1 49 VAL H 1 49 VAL HB 3.000 . 3.500 3.537 2.947 3.593 0.093 7 0 "[ . 1 . 2]" 1
370 1 49 VAL H 1 49 VAL QG 3.000 . 4.000 1.794 1.721 1.872 0.079 10 0 "[ . 1 . 2]" 1
371 1 49 VAL H 1 50 ILE H 4.000 . 5.000 2.596 2.569 2.635 . 0 0 "[ . 1 . 2]" 1
372 1 49 VAL HA 1 50 ILE H 3.000 . 3.500 3.515 3.501 3.536 0.036 16 0 "[ . 1 . 2]" 1
373 1 49 VAL HB 1 50 ILE H 3.000 . 3.500 3.636 2.921 3.778 0.278 19 0 "[ . 1 . 2]" 1
374 1 49 VAL HB 1 53 LEU H 4.000 . 5.000 5.142 4.992 5.305 0.305 9 0 "[ . 1 . 2]" 1
375 1 50 ILE H 1 50 ILE MG 2.500 . 3.400 3.736 3.734 3.737 0.337 4 0 "[ . 1 . 2]" 1
376 1 50 ILE H 1 50 ILE QG 2.500 . 3.400 2.200 2.182 2.227 . 0 0 "[ . 1 . 2]" 1
377 1 50 ILE H 1 50 ILE HB 2.500 . 2.900 2.426 2.418 2.433 . 0 0 "[ . 1 . 2]" 1
378 1 50 ILE QG 1 51 ALA H 3.000 . 4.000 4.143 4.123 4.168 0.168 7 0 "[ . 1 . 2]" 1
379 1 50 ILE HA 1 51 ALA H 3.000 . 3.500 3.527 3.512 3.538 0.038 17 0 "[ . 1 . 2]" 1
380 1 50 ILE MG 1 51 ALA H 3.000 . 4.000 3.429 3.356 3.483 . 0 0 "[ . 1 . 2]" 1
381 1 50 ILE H 1 51 ALA MB 3.200 2.200 4.200 4.277 4.235 4.319 0.119 13 0 "[ . 1 . 2]" 1
382 1 50 ILE HB 1 51 ALA H 2.500 . 2.900 2.726 2.658 2.807 . 0 0 "[ . 1 . 2]" 1
383 1 50 ILE H 1 51 ALA H 2.500 . 2.900 2.660 2.616 2.682 . 0 0 "[ . 1 . 2]" 1
384 1 50 ILE HA 1 53 LEU H 3.000 . 3.500 3.556 3.476 3.639 0.139 18 0 "[ . 1 . 2]" 1
385 1 50 ILE HA 1 54 MET H 4.000 . 5.000 4.607 4.444 4.814 . 0 0 "[ . 1 . 2]" 1
386 1 51 ALA H 1 51 ALA MB 2.500 . 3.400 2.127 2.075 2.164 . 0 0 "[ . 1 . 2]" 1
387 1 51 ALA H 1 52 LEU QB 4.000 . 5.000 4.403 4.280 4.572 . 0 0 "[ . 1 . 2]" 1
388 1 51 ALA HA 1 52 LEU H 3.000 . 3.500 3.545 3.534 3.556 0.056 8 0 "[ . 1 . 2]" 1
389 1 51 ALA MB 1 52 LEU H 2.500 . 3.400 2.604 2.537 2.652 . 0 0 "[ . 1 . 2]" 1
390 1 51 ALA H 1 52 LEU H 2.500 . 2.900 2.621 2.582 2.667 . 0 0 "[ . 1 . 2]" 1
391 1 52 LEU H 1 52 LEU QD 3.000 . 3.500 3.053 2.001 3.653 0.153 12 0 "[ . 1 . 2]" 1
392 1 52 LEU H 1 52 LEU QB 2.500 . 2.900 2.244 2.075 2.398 . 0 0 "[ . 1 . 2]" 1
393 1 52 LEU HA 1 53 LEU H 3.000 . 3.500 3.535 3.522 3.542 0.042 10 0 "[ . 1 . 2]" 1
394 1 52 LEU H 1 53 LEU H 2.500 . 2.900 2.711 2.679 2.749 . 0 0 "[ . 1 . 2]" 1
395 1 52 LEU HA 1 55 LEU H 3.000 . 3.500 3.423 3.304 3.572 0.072 6 0 "[ . 1 . 2]" 1
396 1 53 LEU H 1 53 LEU QD 3.000 . 3.500 3.402 2.254 3.735 0.235 18 0 "[ . 1 . 2]" 1
397 1 53 LEU H 1 53 LEU QB 2.500 . 2.900 2.121 2.046 2.261 . 0 0 "[ . 1 . 2]" 1
398 1 53 LEU QD 1 54 MET H 4.000 . 5.000 3.966 3.507 4.141 . 0 0 "[ . 1 . 2]" 1
399 1 53 LEU QB 1 54 MET H 3.000 . 3.500 2.762 2.622 2.895 . 0 0 "[ . 1 . 2]" 1
400 1 53 LEU H 1 54 MET H 2.500 . 2.900 2.601 2.535 2.707 . 0 0 "[ . 1 . 2]" 1
401 1 53 LEU HA 1 56 ASP H 4.000 . 5.000 3.525 3.440 3.604 . 0 0 "[ . 1 . 2]" 1
402 1 53 LEU QD 1 57 SER H 4.000 . 5.000 5.050 4.491 5.236 0.236 9 0 "[ . 1 . 2]" 1
403 1 54 MET H 1 54 MET QG 3.400 2.200 4.100 2.911 2.175 4.043 0.025 3 0 "[ . 1 . 2]" 1
404 1 54 MET H 1 54 MET QB 3.000 . 4.000 2.319 2.084 2.404 . 0 0 "[ . 1 . 2]" 1
405 1 54 MET QG 1 55 LEU H 4.000 . 5.500 4.049 3.579 4.570 . 0 0 "[ . 1 . 2]" 1
406 1 54 MET QB 1 55 LEU H 3.000 . 4.000 2.658 2.578 2.757 . 0 0 "[ . 1 . 2]" 1
407 1 55 LEU H 1 55 LEU QD 3.000 . 4.000 3.077 2.994 3.130 . 0 0 "[ . 1 . 2]" 1
408 1 55 LEU H 1 55 LEU HG 2.500 . 2.900 2.184 2.056 2.267 . 0 0 "[ . 1 . 2]" 1
409 1 55 LEU H 1 55 LEU QB 2.500 . 3.400 2.405 2.370 2.460 . 0 0 "[ . 1 . 2]" 1
410 1 55 LEU HA 1 56 ASP H 3.000 . 3.500 3.478 3.426 3.528 0.028 17 0 "[ . 1 . 2]" 1
411 1 55 LEU QB 1 57 SER H 4.000 . 5.500 4.697 4.547 4.791 . 0 0 "[ . 1 . 2]" 1
412 1 56 ASP H 1 56 ASP HB2 2.500 . 2.900 2.416 2.382 2.453 . 0 0 "[ . 1 . 2]" 1
413 1 56 ASP QB 1 57 SER H 3.000 . 4.000 2.669 2.592 2.809 . 0 0 "[ . 1 . 2]" 1
414 1 56 ASP H 1 58 ALA H 3.500 2.300 4.700 3.948 3.909 3.988 . 0 0 "[ . 1 . 2]" 1
415 1 57 SER H 1 57 SER QB 2.500 . 3.400 2.467 2.267 2.593 . 0 0 "[ . 1 . 2]" 1
416 1 57 SER H 1 58 ALA HA 4.000 . 5.000 5.005 4.920 5.077 0.077 6 0 "[ . 1 . 2]" 1
417 1 57 SER H 1 58 ALA MB 4.000 . 5.500 4.043 3.934 4.117 . 0 0 "[ . 1 . 2]" 1
418 1 57 SER QB 1 58 ALA H 3.000 . 4.000 3.654 3.244 3.884 . 0 0 "[ . 1 . 2]" 1
419 1 57 SER HA 1 58 ALA H 3.000 . 3.500 3.312 3.250 3.360 . 0 0 "[ . 1 . 2]" 1
420 1 58 ALA H 1 58 ALA MB 2.500 . 3.400 2.223 2.152 2.295 . 0 0 "[ . 1 . 2]" 1
421 1 58 ALA H 1 59 LYS QB 4.000 . 6.500 4.604 4.286 4.906 . 0 0 "[ . 1 . 2]" 1
422 1 58 ALA H 1 59 LYS H 3.500 2.300 4.700 2.941 2.622 3.077 . 0 0 "[ . 1 . 2]" 1
423 1 58 ALA MB 1 59 LYS H 3.000 . 4.000 3.596 3.441 3.637 . 0 0 "[ . 1 . 2]" 1
424 1 58 ALA HA 1 59 LYS H 3.000 . 3.500 2.973 2.913 3.168 . 0 0 "[ . 1 . 2]" 1
425 1 58 ALA HA 1 60 GLY H 4.000 . 5.000 4.990 4.880 5.189 0.189 6 0 "[ . 1 . 2]" 1
426 1 58 ALA MB 1 60 GLY H 3.000 . 4.000 4.438 4.380 4.558 0.558 7 1 "[ . + 1 . 2]" 1
427 1 58 ALA HA 1 61 ARG H 4.000 . 5.000 3.732 3.597 3.838 . 0 0 "[ . 1 . 2]" 1
428 1 58 ALA MB 1 61 ARG H 4.000 . 5.500 3.641 3.522 3.769 . 0 0 "[ . 1 . 2]" 1
429 1 59 LYS H 1 59 LYS QD 4.000 . 5.500 4.059 2.948 4.500 . 0 0 "[ . 1 . 2]" 1
430 1 59 LYS H 1 59 LYS QG 3.000 . 4.000 2.958 1.709 3.965 0.091 17 0 "[ . 1 . 2]" 1
431 1 59 LYS H 1 59 LYS QB 2.500 . 3.400 2.451 2.213 2.792 . 0 0 "[ . 1 . 2]" 1
432 1 59 LYS QG 1 60 GLY H 4.000 . 5.500 3.873 3.346 4.424 . 0 0 "[ . 1 . 2]" 1
433 1 59 LYS H 1 60 GLY H 4.000 . 5.000 4.232 4.181 4.306 . 0 0 "[ . 1 . 2]" 1
434 1 59 LYS QB 1 60 GLY H 3.000 . 4.000 3.839 3.639 4.004 0.004 14 0 "[ . 1 . 2]" 1
435 1 59 LYS HA 1 60 GLY H 2.500 . 2.900 2.218 2.193 2.239 . 0 0 "[ . 1 . 2]" 1
436 1 59 LYS H 1 61 ARG QG 4.000 . 5.500 4.010 3.436 4.829 . 0 0 "[ . 1 . 2]" 1
437 1 60 GLY QA 1 61 ARG H 3.000 . 3.500 2.919 2.912 2.924 . 0 0 "[ . 1 . 2]" 1
438 1 60 GLY H 1 61 ARG H 3.000 . 3.500 2.162 2.108 2.226 . 0 0 "[ . 1 . 2]" 1
439 1 61 ARG H 1 61 ARG QD 4.000 . 5.500 4.178 3.227 4.554 . 0 0 "[ . 1 . 2]" 1
440 1 61 ARG H 1 61 ARG QB . . 2.900 2.468 2.300 2.635 . 0 0 "[ . 1 . 2]" 1
441 1 61 ARG H 1 61 ARG QG 3.000 . 4.000 2.640 2.229 3.150 . 0 0 "[ . 1 . 2]" 1
442 1 61 ARG QG 1 62 GLN H 3.000 . 4.000 3.890 3.293 4.239 0.239 5 0 "[ . 1 . 2]" 1
443 1 61 ARG H 1 62 GLN H 3.600 2.400 4.800 4.534 4.488 4.550 . 0 0 "[ . 1 . 2]" 1
444 1 61 ARG HA 1 62 GLN H 2.500 . 2.900 2.418 2.335 2.548 . 0 0 "[ . 1 . 2]" 1
445 1 62 GLN H 1 62 GLN QG . . 2.900 2.640 1.880 2.952 0.052 4 0 "[ . 1 . 2]" 1
446 1 62 GLN H 1 62 GLN QB 2.500 . 3.400 2.395 2.342 2.865 . 0 0 "[ . 1 . 2]" 1
447 1 62 GLN QG 1 63 ILE H 3.000 . 3.500 3.838 3.725 3.941 0.441 15 0 "[ . 1 . 2]" 1
448 1 62 GLN QB 1 63 ILE H 2.500 . 3.400 2.878 2.775 2.997 . 0 0 "[ . 1 . 2]" 1
449 1 62 GLN HA 1 63 ILE H 2.500 . 2.900 2.229 2.203 2.257 . 0 0 "[ . 1 . 2]" 1
450 1 63 ILE H 1 63 ILE MG 3.000 . 4.000 2.848 2.789 2.908 . 0 0 "[ . 1 . 2]" 1
451 1 63 ILE H 1 63 ILE QG 3.000 . 3.500 2.165 2.096 2.227 . 0 0 "[ . 1 . 2]" 1
452 1 63 ILE H 1 63 ILE HB 3.000 . 4.000 3.839 3.811 3.865 . 0 0 "[ . 1 . 2]" 1
453 1 63 ILE H 1 64 GLU HA 4.000 . 5.000 4.820 4.793 4.859 . 0 0 "[ . 1 . 2]" 1
454 1 63 ILE QG 1 64 GLU H 3.000 . 3.500 3.447 3.389 3.539 0.039 7 0 "[ . 1 . 2]" 1
455 1 63 ILE MG 1 64 GLU H 3.000 . 4.000 3.829 3.777 3.887 . 0 0 "[ . 1 . 2]" 1
456 1 63 ILE HB 1 64 GLU H 3.000 . 4.000 2.522 2.434 2.610 . 0 0 "[ . 1 . 2]" 1
457 1 63 ILE HA 1 64 GLU H 2.500 . 2.900 2.381 2.348 2.415 . 0 0 "[ . 1 . 2]" 1
458 1 63 ILE QG 1 65 VAL H 4.000 . 5.000 3.570 3.319 3.771 . 0 0 "[ . 1 . 2]" 1
459 1 63 ILE MG 1 65 VAL H 4.500 3.000 6.000 5.930 5.784 6.054 0.054 16 0 "[ . 1 . 2]" 1
460 1 64 GLU H 1 64 GLU QB 2.500 . 3.400 2.795 2.709 2.850 . 0 0 "[ . 1 . 2]" 1
461 1 64 GLU H 1 64 GLU QG 2.500 . 3.400 2.397 2.191 3.090 . 0 0 "[ . 1 . 2]" 1
462 1 64 GLU HA 1 65 VAL H 2.500 . 2.900 2.187 2.166 2.215 . 0 0 "[ . 1 . 2]" 1
463 1 64 GLU HA 1 66 GLU H 4.500 2.300 6.000 5.886 5.712 5.971 . 0 0 "[ . 1 . 2]" 1
464 1 65 VAL H 1 65 VAL QG 2.500 . 2.900 2.271 2.064 2.520 . 0 0 "[ . 1 . 2]" 1
465 1 65 VAL H 1 65 VAL HB 2.500 . 2.900 2.566 2.452 2.654 . 0 0 "[ . 1 . 2]" 1
466 1 65 VAL H 1 66 GLU HA 4.000 . 5.000 5.295 5.206 5.358 0.358 17 0 "[ . 1 . 2]" 1
467 1 65 VAL HA 1 66 GLU H 2.500 . 2.900 2.156 2.148 2.169 . 0 0 "[ . 1 . 2]" 1
468 1 66 GLU H 1 66 GLU QG 3.000 . 4.000 3.959 3.786 4.003 0.003 14 0 "[ . 1 . 2]" 1
469 1 66 GLU H 1 66 GLU QB 2.500 . 3.400 2.473 2.388 2.522 . 0 0 "[ . 1 . 2]" 1
470 1 66 GLU H 1 67 ALA MB 4.000 . 5.500 4.711 4.638 4.790 . 0 0 "[ . 1 . 2]" 1
471 1 66 GLU QB 1 67 ALA H 3.000 . 4.000 3.631 3.583 3.669 . 0 0 "[ . 1 . 2]" 1
472 1 66 GLU QG 1 67 ALA H 2.500 . 3.400 2.346 2.230 2.405 . 0 0 "[ . 1 . 2]" 1
473 1 67 ALA H 1 67 ALA MB 2.500 . 3.400 2.588 2.567 2.606 . 0 0 "[ . 1 . 2]" 1
474 1 67 ALA HA 1 68 THR H 2.500 . 2.900 2.184 2.160 2.243 . 0 0 "[ . 1 . 2]" 1
475 1 67 ALA MB 1 72 GLU H 4.000 . 5.500 4.655 4.475 4.752 . 0 0 "[ . 1 . 2]" 1
476 1 67 ALA MB 1 73 GLU H 4.000 . 5.500 4.529 4.407 4.650 . 0 0 "[ . 1 . 2]" 1
477 1 67 ALA MB 1 75 ALA H 4.000 . 5.500 4.372 4.238 4.657 . 0 0 "[ . 1 . 2]" 1
478 1 67 ALA MB 1 76 LEU H 3.000 . 4.000 3.201 2.975 3.478 . 0 0 "[ . 1 . 2]" 1
479 1 68 THR H 1 68 THR HB 2.500 . 2.900 2.735 2.667 2.865 . 0 0 "[ . 1 . 2]" 1
480 1 68 THR H 1 68 THR MG 3.200 2.200 4.200 3.893 3.865 3.926 . 0 0 "[ . 1 . 2]" 1
481 1 68 THR HB 1 69 GLY H 4.000 . 5.000 4.074 3.945 4.148 . 0 0 "[ . 1 . 2]" 1
482 1 68 THR MG 1 69 GLY H 3.000 . 4.000 2.482 2.264 2.599 . 0 0 "[ . 1 . 2]" 1
483 1 68 THR HA 1 69 GLY H 2.500 . 2.900 2.175 2.161 2.219 . 0 0 "[ . 1 . 2]" 1
484 1 68 THR H 1 72 GLU HA 4.000 . 6.000 4.226 4.107 4.359 . 0 0 "[ . 1 . 2]" 1
485 1 68 THR H 1 72 GLU QB 4.000 . 5.000 3.398 3.164 3.590 . 0 0 "[ . 1 . 2]" 1
486 1 68 THR HA 1 72 GLU H 4.000 . 5.000 5.128 5.075 5.216 0.216 15 0 "[ . 1 . 2]" 1
487 1 68 THR H 1 72 GLU QG 4.500 3.000 6.000 5.536 5.291 5.732 . 0 0 "[ . 1 . 2]" 1
488 1 69 GLY QA 1 71 GLN H 4.000 . 6.000 3.410 3.205 3.573 . 0 0 "[ . 1 . 2]" 1
489 1 69 GLY QA 1 72 GLU H 4.000 . 5.000 3.480 3.268 3.658 . 0 0 "[ . 1 . 2]" 1
490 1 69 GLY H 1 72 GLU QG 4.000 2.400 4.800 3.743 3.500 4.035 . 0 0 "[ . 1 . 2]" 1
491 1 69 GLY H 1 72 GLU H 4.000 . 5.000 3.964 3.842 4.252 . 0 0 "[ . 1 . 2]" 1
492 1 69 GLY H 1 72 GLU HA 3.500 2.300 4.700 4.654 4.418 5.193 0.493 11 0 "[ . 1 . 2]" 1
493 1 69 GLY H 1 72 GLU QB . . 2.900 2.265 2.062 2.709 . 0 0 "[ . 1 . 2]" 1
494 1 70 PRO QG 1 71 GLN H 3.000 . 3.500 3.432 2.498 3.749 0.249 6 0 "[ . 1 . 2]" 1
495 1 70 PRO HA 1 71 GLN H 3.000 . 3.500 3.550 3.495 3.573 0.073 15 0 "[ . 1 . 2]" 1
496 1 70 PRO QD 1 71 GLN H 3.000 . 4.000 2.835 2.489 2.969 . 0 0 "[ . 1 . 2]" 1
497 1 70 PRO QB 1 71 GLN H 3.000 . 3.500 2.664 2.343 3.332 . 0 0 "[ . 1 . 2]" 1
498 1 70 PRO HA 1 72 GLU H 4.000 . 5.000 3.910 3.834 4.000 . 0 0 "[ . 1 . 2]" 1
499 1 71 GLN H 1 71 GLN QG 2.500 . 3.400 2.682 2.478 2.819 . 0 0 "[ . 1 . 2]" 1
500 1 71 GLN H 1 71 GLN QB 2.500 . 2.900 2.400 2.347 2.479 . 0 0 "[ . 1 . 2]" 1
501 1 71 GLN HA 1 72 GLU H 3.000 . 3.500 3.100 2.940 3.237 . 0 0 "[ . 1 . 2]" 1
502 1 71 GLN H 1 72 GLU H 2.500 . 2.900 2.523 2.245 2.732 . 0 0 "[ . 1 . 2]" 1
503 1 71 GLN HA 1 73 GLU H 3.000 . 3.500 3.574 3.351 3.866 0.366 13 0 "[ . 1 . 2]" 1
504 1 72 GLU H 1 72 GLU QB 2.500 . 2.900 2.380 2.318 2.463 . 0 0 "[ . 1 . 2]" 1
505 1 72 GLU H 1 72 GLU QG 2.500 . 2.900 2.253 2.021 2.461 . 0 0 "[ . 1 . 2]" 1
506 1 72 GLU H 1 73 GLU QG 4.000 . 5.000 4.130 3.524 4.507 . 0 0 "[ . 1 . 2]" 1
507 1 72 GLU HA 1 73 GLU H 3.000 . 3.500 3.542 3.522 3.564 0.064 13 0 "[ . 1 . 2]" 1
508 1 72 GLU H 1 73 GLU H 3.000 . 3.500 2.850 2.693 2.990 . 0 0 "[ . 1 . 2]" 1
509 1 72 GLU QG 1 73 GLU H 2.500 . 2.900 1.902 1.726 2.025 0.074 11 0 "[ . 1 . 2]" 1
510 1 72 GLU H 1 74 GLU H 4.000 . 5.000 4.372 4.085 4.562 . 0 0 "[ . 1 . 2]" 1
511 1 72 GLU H 1 75 ALA MB 4.000 . 5.500 4.768 4.359 5.061 . 0 0 "[ . 1 . 2]" 1
512 1 72 GLU HA 1 75 ALA H 3.000 . 3.500 3.694 3.540 3.780 0.280 14 0 "[ . 1 . 2]" 1
513 1 73 GLU H 1 73 GLU QG . . 2.900 2.016 1.726 2.206 0.074 10 0 "[ . 1 . 2]" 1
514 1 73 GLU H 1 73 GLU QB 2.500 . 3.400 2.521 2.391 2.765 . 0 0 "[ . 1 . 2]" 1
515 1 73 GLU QG 1 74 GLU H 3.000 . 3.500 3.303 1.668 4.005 0.505 6 2 "[- .+ 1 . 2]" 1
516 1 73 GLU H 1 74 GLU H 2.500 . 2.900 2.697 2.571 2.782 . 0 0 "[ . 1 . 2]" 1
517 1 73 GLU QB 1 74 GLU H 2.500 . 3.400 2.655 2.377 3.422 0.022 14 0 "[ . 1 . 2]" 1
518 1 73 GLU H 1 75 ALA MB 4.000 . 5.500 4.900 4.749 5.037 . 0 0 "[ . 1 . 2]" 1
519 1 73 GLU H 1 75 ALA H 3.500 2.300 4.200 4.297 4.204 4.375 0.175 3 0 "[ . 1 . 2]" 1
520 1 73 GLU HA 1 76 LEU H 3.000 . 3.500 3.629 3.542 3.796 0.296 7 0 "[ . 1 . 2]" 1
521 1 74 GLU QG 1 75 ALA H . . 3.500 3.769 3.507 4.058 0.558 2 5 "[ + ** *1 - . 2]" 1
522 1 74 GLU HA 1 75 ALA H 3.000 . 3.500 3.566 3.561 3.570 0.070 1 0 "[ . 1 . 2]" 1
523 1 74 GLU H 1 75 ALA H 2.500 . 3.100 2.802 2.678 2.888 . 0 0 "[ . 1 . 2]" 1
524 1 74 GLU QB 1 75 ALA H 2.500 . 3.400 2.347 2.276 2.427 . 0 0 "[ . 1 . 2]" 1
525 1 74 GLU QB 1 76 LEU H 3.600 2.400 4.800 4.690 4.608 4.725 . 0 0 "[ . 1 . 2]" 1
526 1 74 GLU QG 1 77 ALA H 4.000 . 5.000 5.115 4.668 5.348 0.348 11 0 "[ . 1 . 2]" 1
527 1 74 GLU H 1 77 ALA MB 4.000 . 5.500 4.477 4.318 4.679 . 0 0 "[ . 1 . 2]" 1
528 1 74 GLU QB 1 77 ALA H 3.600 2.400 4.800 4.878 4.746 5.009 0.209 19 0 "[ . 1 . 2]" 1
529 1 75 ALA H 1 75 ALA MB 2.500 . 3.400 2.165 2.061 2.234 . 0 0 "[ . 1 . 2]" 1
530 1 75 ALA H 1 76 LEU QB 3.500 2.300 4.700 4.561 4.496 4.794 0.094 3 0 "[ . 1 . 2]" 1
531 1 75 ALA HA 1 76 LEU H 3.000 . 3.500 3.560 3.551 3.565 0.065 1 0 "[ . 1 . 2]" 1
532 1 75 ALA H 1 76 LEU H 2.500 . 2.900 2.822 2.779 2.881 . 0 0 "[ . 1 . 2]" 1
533 1 75 ALA MB 1 76 LEU H 2.500 . 3.400 2.397 2.325 2.500 . 0 0 "[ . 1 . 2]" 1
534 1 75 ALA HA 1 77 ALA H 4.000 . 5.000 4.571 4.462 4.650 . 0 0 "[ . 1 . 2]" 1
535 1 75 ALA H 1 77 ALA MB 3.600 2.400 4.800 4.766 4.671 4.848 0.048 2 0 "[ . 1 . 2]" 1
536 1 75 ALA HA 1 78 ALA H 3.000 . 3.500 3.627 3.559 3.691 0.191 9 0 "[ . 1 . 2]" 1
537 1 75 ALA HA 1 79 VAL H 4.000 . 5.000 4.226 4.014 4.539 . 0 0 "[ . 1 . 2]" 1
538 1 76 LEU H 1 76 LEU QD 3.000 . 3.500 3.440 2.299 3.688 0.188 19 0 "[ . 1 . 2]" 1
539 1 76 LEU H 1 76 LEU QB 2.500 . 2.900 2.189 2.049 2.356 . 0 0 "[ . 1 . 2]" 1
540 1 76 LEU HA 1 77 ALA H 3.000 . 3.500 3.550 3.543 3.558 0.058 19 0 "[ . 1 . 2]" 1
541 1 76 LEU QD 1 77 ALA H 3.500 2.300 4.700 3.883 3.474 4.094 . 0 0 "[ . 1 . 2]" 1
542 1 76 LEU H 1 77 ALA H 2.500 . 2.900 2.668 2.622 2.720 . 0 0 "[ . 1 . 2]" 1
543 1 76 LEU QB 1 77 ALA H 2.500 . 2.900 2.553 2.430 2.708 . 0 0 "[ . 1 . 2]" 1
544 1 76 LEU QB 1 78 ALA H 4.000 . 5.000 4.713 4.651 4.745 . 0 0 "[ . 1 . 2]" 1
545 1 76 LEU HA 1 78 ALA H 4.000 . 5.000 4.449 4.349 4.489 . 0 0 "[ . 1 . 2]" 1
546 1 76 LEU HA 1 79 VAL H 3.000 . 3.500 3.503 3.411 3.575 0.075 17 0 "[ . 1 . 2]" 1
547 1 77 ALA H 1 77 ALA MB 2.500 . 3.400 2.164 2.030 2.234 . 0 0 "[ . 1 . 2]" 1
548 1 77 ALA HA 1 78 ALA H 3.000 . 3.500 3.549 3.541 3.553 0.053 13 0 "[ . 1 . 2]" 1
549 1 77 ALA H 1 78 ALA H 2.500 . 2.900 2.708 2.678 2.743 . 0 0 "[ . 1 . 2]" 1
550 1 77 ALA HA 1 79 VAL H 4.000 . 5.000 4.503 4.465 4.550 . 0 0 "[ . 1 . 2]" 1
551 1 77 ALA HA 1 80 ILE H 3.000 . 3.500 3.514 3.427 3.601 0.101 13 0 "[ . 1 . 2]" 1
552 1 77 ALA HA 1 81 ALA H 3.000 . 3.500 3.765 3.616 3.857 0.357 20 0 "[ . 1 . 2]" 1
553 1 78 ALA H 1 78 ALA MB 2.500 . 3.400 2.149 2.068 2.236 . 0 0 "[ . 1 . 2]" 1
554 1 78 ALA H 1 79 VAL HA 4.000 . 6.000 5.319 5.288 5.364 . 0 0 "[ . 1 . 2]" 1
555 1 78 ALA H 1 79 VAL QG 3.000 . 4.000 4.118 4.064 4.169 0.169 15 0 "[ . 1 . 2]" 1
556 1 78 ALA HA 1 79 VAL H 3.000 . 3.500 3.552 3.549 3.558 0.058 7 0 "[ . 1 . 2]" 1
557 1 78 ALA MB 1 79 VAL H 2.500 . 3.400 2.538 2.437 2.621 . 0 0 "[ . 1 . 2]" 1
558 1 78 ALA H 1 79 VAL H 2.500 . 2.900 2.701 2.661 2.762 . 0 0 "[ . 1 . 2]" 1
559 1 78 ALA HA 1 80 ILE H 4.000 . 5.000 4.615 4.529 4.736 . 0 0 "[ . 1 . 2]" 1
560 1 78 ALA H 1 80 ILE HB 3.600 2.400 4.800 5.057 5.001 5.084 0.284 13 0 "[ . 1 . 2]" 1
561 1 79 VAL H 1 79 VAL QG 3.000 . 3.400 2.179 2.058 2.272 . 0 0 "[ . 1 . 2]" 1
562 1 79 VAL H 1 79 VAL HB 2.500 . 2.900 2.498 2.439 2.551 . 0 0 "[ . 1 . 2]" 1
563 1 79 VAL H 1 80 ILE QG 3.500 2.300 4.700 4.521 4.428 4.579 . 0 0 "[ . 1 . 2]" 1
564 1 79 VAL HA 1 80 ILE H 3.000 . 3.500 3.552 3.545 3.560 0.060 10 0 "[ . 1 . 2]" 1
565 1 79 VAL H 1 80 ILE H 2.500 . 2.900 2.627 2.595 2.652 . 0 0 "[ . 1 . 2]" 1
566 1 79 VAL HA 1 81 ALA H 4.000 . 5.000 4.462 4.419 4.532 . 0 0 "[ . 1 . 2]" 1
567 1 79 VAL HB 1 82 LEU H 4.000 . 5.000 5.467 5.415 5.554 0.554 20 3 "[ . * -1 . +]" 1
568 1 79 VAL QG 1 82 LEU H 3.000 . 4.000 4.285 4.210 4.350 0.350 7 0 "[ . 1 . 2]" 1
569 1 79 VAL HA 1 82 LEU H 3.000 . 3.500 3.500 3.460 3.560 0.060 7 0 "[ . 1 . 2]" 1
570 1 79 VAL HB 1 83 PHE H 4.000 . 6.000 5.761 5.634 6.085 0.085 10 0 "[ . 1 . 2]" 1
571 1 79 VAL QG 1 83 PHE H 3.000 . 4.000 3.962 3.787 4.169 0.169 10 0 "[ . 1 . 2]" 1
572 1 80 ILE H 1 80 ILE MD 3.000 . 4.000 3.534 3.483 3.589 . 0 0 "[ . 1 . 2]" 1
573 1 80 ILE H 1 80 ILE MG 2.500 . 3.400 3.709 3.701 3.721 0.321 18 0 "[ . 1 . 2]" 1
574 1 80 ILE H 1 80 ILE QG 2.500 . 3.400 2.402 2.324 2.450 . 0 0 "[ . 1 . 2]" 1
575 1 80 ILE H 1 80 ILE HB 2.500 . 2.900 2.334 2.313 2.368 . 0 0 "[ . 1 . 2]" 1
576 1 80 ILE QG 1 81 ALA H 4.000 . 4.200 4.196 4.154 4.227 0.027 10 0 "[ . 1 . 2]" 1
577 1 80 ILE MD 1 81 ALA H 3.800 2.600 5.000 4.557 4.489 4.602 . 0 0 "[ . 1 . 2]" 1
578 1 80 ILE HA 1 81 ALA H 3.000 . 3.500 3.543 3.536 3.553 0.053 17 0 "[ . 1 . 2]" 1
579 1 80 ILE MG 1 81 ALA H 3.000 . 4.000 3.198 3.141 3.282 . 0 0 "[ . 1 . 2]" 1
580 1 80 ILE H 1 81 ALA H 2.500 . 2.900 2.649 2.598 2.691 . 0 0 "[ . 1 . 2]" 1
581 1 80 ILE HB 1 81 ALA H 2.500 . 2.900 2.672 2.602 2.721 . 0 0 "[ . 1 . 2]" 1
582 1 80 ILE QG 1 82 LEU H 4.000 . 5.000 5.556 5.498 5.600 0.600 20 19 "[*********-****** **+]" 1
583 1 80 ILE HA 1 82 LEU H 4.000 . 5.000 4.226 4.113 4.286 . 0 0 "[ . 1 . 2]" 1
584 1 80 ILE HA 1 83 PHE H 3.000 . 3.500 3.363 3.316 3.464 . 0 0 "[ . 1 . 2]" 1
585 1 80 ILE HA 1 84 ASN H 4.000 . 5.000 4.099 4.001 4.200 . 0 0 "[ . 1 . 2]" 1
586 1 80 ILE MG 1 84 ASN QD 3.000 . 3.800 2.993 1.756 4.081 0.281 4 0 "[ . 1 . 2]" 1
587 1 81 ALA H 1 81 ALA MB 2.500 . 3.400 2.212 2.108 2.236 . 0 0 "[ . 1 . 2]" 1
588 1 81 ALA HA 1 82 LEU H 3.000 . 3.500 3.521 3.508 3.528 0.028 9 0 "[ . 1 . 2]" 1
589 1 81 ALA H 1 82 LEU H 2.500 . 2.900 2.634 2.612 2.650 . 0 0 "[ . 1 . 2]" 1
590 1 81 ALA MB 1 82 LEU H 2.500 . 3.400 2.655 2.597 2.746 . 0 0 "[ . 1 . 2]" 1
591 1 81 ALA HA 1 83 PHE H 4.000 . 5.000 4.473 4.391 4.562 . 0 0 "[ . 1 . 2]" 1
592 1 81 ALA H 1 84 ASN QB 4.000 . 6.000 4.899 4.460 5.148 . 0 0 "[ . 1 . 2]" 1
593 1 81 ALA MB 1 84 ASN H 4.000 . 5.500 4.594 4.452 4.662 . 0 0 "[ . 1 . 2]" 1
594 1 81 ALA HA 1 84 ASN H 3.000 . 3.500 3.492 3.311 3.556 0.056 8 0 "[ . 1 . 2]" 1
595 1 81 ALA MB 1 85 SER H 4.000 . 5.500 5.057 4.574 5.359 . 0 0 "[ . 1 . 2]" 1
596 1 82 LEU H 1 82 LEU QD 3.000 . 3.500 2.973 2.251 3.530 0.030 8 0 "[ . 1 . 2]" 1
597 1 82 LEU H 1 82 LEU QB 2.500 . 2.900 2.167 2.057 2.306 . 0 0 "[ . 1 . 2]" 1
598 1 82 LEU H 1 83 PHE HA 4.000 . 5.000 5.188 5.144 5.304 0.304 10 0 "[ . 1 . 2]" 1
599 1 82 LEU H 1 83 PHE QB 4.000 . 5.000 4.479 4.333 4.873 . 0 0 "[ . 1 . 2]" 1
600 1 82 LEU HA 1 83 PHE H 3.000 . 3.500 3.538 3.529 3.559 0.059 10 0 "[ . 1 . 2]" 1
601 1 82 LEU QB 1 83 PHE H . . 2.900 2.674 2.537 2.766 . 0 0 "[ . 1 . 2]" 1
602 1 82 LEU H 1 83 PHE H 2.500 . 2.900 2.539 2.487 2.682 . 0 0 "[ . 1 . 2]" 1
603 1 82 LEU QB 1 84 ASN H 4.000 . 5.000 4.560 4.367 4.633 . 0 0 "[ . 1 . 2]" 1
604 1 82 LEU HA 1 84 ASN H 4.000 . 5.000 4.220 4.144 4.291 . 0 0 "[ . 1 . 2]" 1
605 1 82 LEU QB 1 85 SER H 4.000 . 5.000 4.651 4.578 4.744 . 0 0 "[ . 1 . 2]" 1
606 1 82 LEU HA 1 85 SER H 4.000 . 5.000 3.457 3.247 3.696 . 0 0 "[ . 1 . 2]" 1
607 1 83 PHE H 1 83 PHE QE 4.000 . 5.500 4.296 3.996 4.470 . 0 0 "[ . 1 . 2]" 1
608 1 83 PHE H 1 83 PHE QD 3.000 . 4.000 2.233 2.022 2.533 . 0 0 "[ . 1 . 2]" 1
609 1 83 PHE H 1 83 PHE QB . . 2.900 2.331 2.214 2.594 . 0 0 "[ . 1 . 2]" 1
610 1 83 PHE H 1 84 ASN QB 4.000 . 5.000 4.477 4.269 4.675 . 0 0 "[ . 1 . 2]" 1
611 1 83 PHE QB 1 84 ASN H 3.000 . 3.500 2.788 2.706 2.914 . 0 0 "[ . 1 . 2]" 1
612 1 83 PHE HA 1 84 ASN H 3.000 . 3.500 3.502 3.467 3.515 0.015 3 0 "[ . 1 . 2]" 1
613 1 83 PHE H 1 84 ASN H 2.500 . 2.900 2.531 2.444 2.560 . 0 0 "[ . 1 . 2]" 1
614 1 83 PHE QB 1 85 SER H 4.000 . 5.000 4.420 4.358 4.532 . 0 0 "[ . 1 . 2]" 1
615 1 83 PHE HA 1 85 SER H 3.000 . 3.500 3.759 3.534 3.994 0.494 15 0 "[ . 1 . 2]" 1
616 1 84 ASN H 1 84 ASN QB 2.500 . 2.900 2.361 2.272 2.457 . 0 0 "[ . 1 . 2]" 1
617 1 84 ASN QB 1 85 SER H 3.000 . 3.500 3.263 3.039 3.372 . 0 0 "[ . 1 . 2]" 1
618 1 84 ASN HA 1 85 SER H 2.500 . 2.900 3.334 3.282 3.425 0.525 20 1 "[ . 1 . +]" 1
619 1 84 ASN H 1 85 SER H 2.500 . 2.900 2.411 2.242 2.538 . 0 0 "[ . 1 . 2]" 1
620 1 85 SER H 1 85 SER QB 2.500 . 3.400 2.915 2.291 3.541 0.141 19 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 194
_Distance_constraint_stats_list.Viol_count 482
_Distance_constraint_stats_list.Viol_total 1924.140
_Distance_constraint_stats_list.Viol_max 0.811
_Distance_constraint_stats_list.Viol_rms 0.0868
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0248
_Distance_constraint_stats_list.Viol_average_violations_only 0.1996
_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 3 VAL 7.587 0.462 13 0 "[ . 1 . 2]"
1 4 LYS 12.016 0.462 13 0 "[ . 1 . 2]"
1 5 GLN 1.649 0.370 14 0 "[ . 1 . 2]"
1 6 THR 1.362 0.174 17 0 "[ . 1 . 2]"
1 7 VAL 8.276 0.418 4 0 "[ . 1 . 2]"
1 9 ILE 4.717 0.577 7 1 "[ . + 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.099 0.099 8 0 "[ . 1 . 2]"
1 13 LEU 7.039 0.577 7 3 "[ . +- * . 2]"
1 16 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 6.908 0.564 2 2 "[ + . 1 . -2]"
1 20 ALA 0.529 0.119 14 0 "[ . 1 . 2]"
1 21 MET 4.899 0.480 9 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 1.506 0.194 11 0 "[ . 1 . 2]"
1 24 PHE 5.286 0.645 7 1 "[ . + 1 . 2]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.011 0.011 11 0 "[ . 1 . 2]"
1 27 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 13.695 0.811 17 16 "[*******-**** .*+ **]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 1.937 0.271 20 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 2.499 0.223 10 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 5.702 0.535 10 2 "[ . - + . 2]"
1 37 ARG 0.487 0.249 10 0 "[ . 1 . 2]"
1 38 ASN 2.412 0.218 12 0 "[ . 1 . 2]"
1 42 THR 11.387 0.467 7 0 "[ . 1 . 2]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 0.082 0.047 15 0 "[ . 1 . 2]"
1 47 ASN 4.584 0.645 7 1 "[ . + 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.100 0.100 7 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 6.685 0.480 9 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 11.387 0.467 7 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.608 0.311 2 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.534 0.311 2 0 "[ . 1 . 2]"
1 62 GLN 1.040 0.205 7 0 "[ . 1 . 2]"
1 63 ILE 2.471 0.218 12 0 "[ . 1 . 2]"
1 64 GLU 1.849 0.249 10 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 5.504 0.408 2 0 "[ . 1 . 2]"
1 67 ALA 1.991 0.223 10 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 1.937 0.271 20 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.756 0.205 20 0 "[ . 1 . 2]"
1 74 GLU 0.175 0.103 20 0 "[ . 1 . 2]"
1 75 ALA 1.531 0.188 5 0 "[ . 1 . 2]"
1 76 LEU 2.830 0.370 14 0 "[ . 1 . 2]"
1 77 ALA 0.578 0.086 19 0 "[ . 1 . 2]"
1 78 ALA 19.073 0.811 17 16 "[************ .*+ -*]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 8.583 0.418 4 0 "[ . 1 . 2]"
1 81 ALA 0.256 0.152 10 0 "[ . 1 . 2]"
1 82 LEU 6.018 0.558 19 4 "[ - * * 1 . +2]"
1 83 PHE 7.632 0.442 18 0 "[ . 1 . 2]"
1 84 ASN 6.018 0.558 19 4 "[ - * * 1 . +2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL QG 1 4 LYS QE 3.500 . 5.000 5.342 5.056 5.462 0.462 13 0 "[ . 1 . 2]" 2
2 1 3 VAL HB 1 67 ALA MB 4.000 . 5.500 3.549 3.058 4.849 . 0 0 "[ . 1 . 2]" 2
3 1 3 VAL QG 1 68 THR HA 4.000 . 5.500 4.271 3.239 4.818 . 0 0 "[ . 1 . 2]" 2
4 1 3 VAL QG 1 72 GLU QG . . 3.800 2.286 1.911 2.566 . 0 0 "[ . 1 . 2]" 2
5 1 3 VAL QG 1 73 GLU QG . . 3.800 2.839 2.195 4.005 0.205 20 0 "[ . 1 . 2]" 2
6 1 3 VAL QG 1 73 GLU HA 3.000 . 3.200 2.959 2.292 3.281 0.081 1 0 "[ . 1 . 2]" 2
7 1 4 LYS HA 1 4 LYS QG 3.000 . 3.800 3.116 2.468 3.298 . 0 0 "[ . 1 . 2]" 2
8 1 4 LYS QB 1 65 VAL QG 4.000 . 5.500 4.624 4.382 5.234 . 0 0 "[ . 1 . 2]" 2
9 1 4 LYS QB 1 66 GLU HA . . 3.800 2.495 2.154 3.563 . 0 0 "[ . 1 . 2]" 2
10 1 4 LYS QG 1 66 GLU HA 3.000 . 3.800 3.809 2.428 4.208 0.408 2 0 "[ . 1 . 2]" 2
11 1 4 LYS HA 1 66 GLU QG 4.000 . 5.500 3.754 3.609 4.096 . 0 0 "[ . 1 . 2]" 2
12 1 4 LYS HA 1 66 GLU HA 2.500 . 2.700 2.155 2.102 2.223 . 0 0 "[ . 1 . 2]" 2
13 1 4 LYS HA 1 76 LEU QD . . 2.700 2.443 2.075 2.854 0.154 7 0 "[ . 1 . 2]" 2
14 1 5 GLN QG 1 76 LEU QD . . 3.200 3.040 2.257 3.570 0.370 14 0 "[ . 1 . 2]" 2
15 1 5 GLN QB 1 76 LEU QD 3.000 . 3.800 2.201 1.942 3.021 . 0 0 "[ . 1 . 2]" 2
16 1 5 GLN QG 1 80 ILE MD 3.000 . 4.300 3.080 2.291 3.583 . 0 0 "[ . 1 . 2]" 2
17 1 6 THR MG 1 62 GLN QG 4.000 . 5.500 4.230 3.851 4.472 . 0 0 "[ . 1 . 2]" 2
18 1 6 THR MG 1 62 GLN QB 2.500 . 3.200 2.926 2.773 3.173 . 0 0 "[ . 1 . 2]" 2
19 1 6 THR HA 1 64 GLU QB 4.000 . 5.000 3.957 3.838 4.171 . 0 0 "[ . 1 . 2]" 2
20 1 6 THR MG 1 64 GLU HA 3.000 . 3.800 2.960 2.797 3.131 . 0 0 "[ . 1 . 2]" 2
21 1 6 THR HA 1 64 GLU HA 3.000 . 3.300 2.475 2.376 2.544 . 0 0 "[ . 1 . 2]" 2
22 1 6 THR MG 1 64 GLU QB 2.500 . 3.200 3.267 3.172 3.374 0.174 17 0 "[ . 1 . 2]" 2
23 1 7 VAL HA 1 7 VAL QG 2.500 . 2.700 2.093 2.017 2.312 . 0 0 "[ . 1 . 2]" 2
24 1 7 VAL HB 1 9 ILE MD 4.000 . 5.500 4.424 3.271 5.737 0.237 7 0 "[ . 1 . 2]" 2
25 1 7 VAL QG 1 64 GLU HA 4.000 . 5.000 4.653 3.952 4.895 . 0 0 "[ . 1 . 2]" 2
26 1 7 VAL HA 1 80 ILE MD 4.000 . 5.500 5.754 5.614 5.918 0.418 4 0 "[ . 1 . 2]" 2
27 1 7 VAL HB 1 80 ILE MD 4.000 . 5.500 5.400 4.192 5.678 0.178 8 0 "[ . 1 . 2]" 2
28 1 7 VAL QG 1 83 PHE QB 4.000 . 5.000 2.378 2.043 2.572 . 0 0 "[ . 1 . 2]" 2
29 1 7 VAL QG 1 83 PHE QD 3.000 . 3.800 2.278 2.105 2.462 . 0 0 "[ . 1 . 2]" 2
30 1 7 VAL QG 1 83 PHE QE 3.000 . 3.800 3.788 3.004 4.098 0.298 18 0 "[ . 1 . 2]" 2
31 1 7 VAL QG 1 83 PHE HZ 4.000 2.500 5.500 5.372 4.789 5.638 0.138 18 0 "[ . 1 . 2]" 2
32 1 9 ILE HA 1 9 ILE MD 4.000 . 5.500 2.140 1.804 3.768 . 0 0 "[ . 1 . 2]" 2
33 1 9 ILE HA 1 9 ILE QG 3.000 . 3.800 2.752 2.245 3.106 . 0 0 "[ . 1 . 2]" 2
34 1 9 ILE HA 1 9 ILE MG 2.500 . 3.200 2.418 2.235 2.502 . 0 0 "[ . 1 . 2]" 2
35 1 9 ILE MG 1 12 LYS HA 4.000 . 5.500 3.128 2.547 5.599 0.099 8 0 "[ . 1 . 2]" 2
36 1 9 ILE MD 1 13 LEU QB 3.000 . 4.300 4.067 2.781 4.877 0.577 7 1 "[ . + 1 . 2]" 2
37 1 9 ILE HB 1 58 ALA MB 4.000 . 5.500 3.607 3.345 3.845 . 0 0 "[ . 1 . 2]" 2
38 1 9 ILE MD 1 58 ALA MB 3.000 . 4.300 3.500 1.771 4.337 0.037 1 0 "[ . 1 . 2]" 2
39 1 9 ILE HB 1 59 LYS HA 4.000 . 5.000 4.077 3.746 4.282 . 0 0 "[ . 1 . 2]" 2
40 1 9 ILE MG 1 62 GLN HA 4.000 . 5.500 5.540 5.401 5.705 0.205 7 0 "[ . 1 . 2]" 2
41 1 9 ILE QG 1 62 GLN HA 4.000 . 5.500 3.607 3.040 4.000 . 0 0 "[ . 1 . 2]" 2
42 1 9 ILE MG 1 83 PHE QD 4.000 . 6.000 5.419 4.881 5.997 . 0 0 "[ . 1 . 2]" 2
43 1 9 ILE MD 1 83 PHE QB 4.000 . 5.500 4.296 3.449 5.942 0.442 18 0 "[ . 1 . 2]" 2
44 1 9 ILE MD 1 83 PHE QE 4.000 . 6.000 3.158 2.217 4.925 . 0 0 "[ . 1 . 2]" 2
45 1 9 ILE MG 1 83 PHE QE 4.000 . 6.000 5.431 4.569 6.176 0.176 20 0 "[ . 1 . 2]" 2
46 1 9 ILE MD 1 83 PHE QD 4.000 . 6.000 3.339 2.469 5.337 . 0 0 "[ . 1 . 2]" 2
47 1 10 THR HA 1 10 THR MG 3.000 . 3.800 2.659 2.336 3.190 . 0 0 "[ . 1 . 2]" 2
48 1 13 LEU QD 1 36 LEU HA 4.500 3.100 5.900 6.182 6.034 6.435 0.535 10 2 "[ . - + . 2]" 2
49 1 13 LEU QD 1 83 PHE QD 4.000 . 5.500 3.863 2.727 4.495 . 0 0 "[ . 1 . 2]" 2
50 1 13 LEU QD 1 83 PHE QE 3.000 . 3.800 2.559 2.041 3.259 . 0 0 "[ . 1 . 2]" 2
51 1 13 LEU QD 1 83 PHE HZ 3.000 . 3.300 2.436 2.060 3.368 0.068 10 0 "[ . 1 . 2]" 2
52 1 16 HIS QB 1 19 PRO QD 4.000 . 5.500 4.123 2.918 5.153 . 0 0 "[ . 1 . 2]" 2
53 1 17 ALA HA 1 19 PRO QD 4.000 . 5.500 2.849 2.529 3.208 . 0 0 "[ . 1 . 2]" 2
54 1 17 ALA MB 1 19 PRO QD 4.000 . 6.000 3.957 3.736 4.194 . 0 0 "[ . 1 . 2]" 2
55 1 17 ALA HA 1 20 ALA MB 3.000 . 3.800 3.250 2.214 3.562 . 0 0 "[ . 1 . 2]" 2
56 1 17 ALA MB 1 21 MET QG 4.000 . 5.500 2.985 1.814 3.868 . 0 0 "[ . 1 . 2]" 2
57 1 19 PRO HA 1 78 ALA MB 4.500 2.300 6.000 6.345 6.097 6.564 0.564 2 2 "[ + . 1 . -2]" 2
58 1 20 ALA HA 1 23 LEU QB 4.000 . 5.000 2.589 2.407 2.801 . 0 0 "[ . 1 . 2]" 2
59 1 20 ALA MB 1 24 PHE QE 4.000 . 6.000 4.414 3.961 4.773 . 0 0 "[ . 1 . 2]" 2
60 1 20 ALA MB 1 24 PHE QD 4.000 . 6.000 4.450 4.191 4.686 . 0 0 "[ . 1 . 2]" 2
61 1 20 ALA HA 1 52 LEU QD 3.000 . 3.300 3.247 2.840 3.419 0.119 14 0 "[ . 1 . 2]" 2
62 1 21 MET HA 1 24 PHE QD 4.000 . 5.500 3.268 2.582 4.017 . 0 0 "[ . 1 . 2]" 2
63 1 21 MET HA 1 24 PHE QB 3.000 . 3.800 3.441 3.160 3.731 . 0 0 "[ . 1 . 2]" 2
64 1 21 MET QG 1 52 LEU QB 4.000 . 5.500 5.432 4.988 5.876 0.376 8 0 "[ . 1 . 2]" 2
65 1 21 MET QG 1 52 LEU QD 3.000 . 3.300 3.476 3.161 3.780 0.480 9 0 "[ . 1 . 2]" 2
66 1 22 LYS HA 1 25 GLU QB 2.500 . 3.200 2.856 2.697 3.093 . 0 0 "[ . 1 . 2]" 2
67 1 23 LEU HA 1 23 LEU QD 2.500 . 2.700 2.187 2.137 2.259 . 0 0 "[ . 1 . 2]" 2
68 1 23 LEU QD 1 24 PHE QE 4.000 . 6.000 4.881 4.614 5.150 . 0 0 "[ . 1 . 2]" 2
69 1 23 LEU HA 1 24 PHE QD 4.000 . 5.500 5.375 4.948 5.694 0.194 11 0 "[ . 1 . 2]" 2
70 1 23 LEU QD 1 24 PHE QD 4.000 . 6.000 4.400 4.080 4.780 . 0 0 "[ . 1 . 2]" 2
71 1 23 LEU HA 1 26 LEU QB 3.000 . 3.800 2.371 2.263 2.466 . 0 0 "[ . 1 . 2]" 2
72 1 23 LEU HA 1 34 VAL QG 3.500 2.300 4.700 4.600 4.180 4.840 0.140 10 0 "[ . 1 . 2]" 2
73 1 23 LEU QD 1 83 PHE QE 4.000 . 6.000 3.743 3.424 4.349 . 0 0 "[ . 1 . 2]" 2
74 1 23 LEU QD 1 83 PHE HZ 3.000 . 3.800 3.586 2.992 3.969 0.169 8 0 "[ . 1 . 2]" 2
75 1 24 PHE HA 1 24 PHE QD 3.000 . 3.800 2.913 2.656 2.985 . 0 0 "[ . 1 . 2]" 2
76 1 24 PHE HA 1 27 MET QB 4.000 . 5.500 3.046 2.668 3.600 . 0 0 "[ . 1 . 2]" 2
77 1 24 PHE QE 1 46 ALA MB 4.000 . 6.000 4.124 3.417 4.771 . 0 0 "[ . 1 . 2]" 2
78 1 24 PHE QD 1 46 ALA MB 4.000 . 6.000 4.652 4.012 5.300 . 0 0 "[ . 1 . 2]" 2
79 1 24 PHE HA 1 47 ASN QB 4.500 2.300 5.700 5.929 5.707 6.345 0.645 7 1 "[ . + 1 . 2]" 2
80 1 24 PHE QD 1 47 ASN HA 4.000 . 5.500 4.281 3.966 4.757 . 0 0 "[ . 1 . 2]" 2
81 1 24 PHE HZ 1 49 VAL QG 4.000 . 5.500 3.624 3.224 4.155 . 0 0 "[ . 1 . 2]" 2
82 1 24 PHE QD 1 49 VAL QG 4.000 . 6.000 4.963 4.573 5.631 . 0 0 "[ . 1 . 2]" 2
83 1 24 PHE HZ 1 49 VAL HA 4.000 . 5.000 4.407 3.858 5.100 0.100 7 0 "[ . 1 . 2]" 2
84 1 24 PHE QD 1 52 LEU QD 4.000 . 6.000 3.809 3.043 5.109 . 0 0 "[ . 1 . 2]" 2
85 1 26 LEU HA 1 26 LEU QD 2.500 . 2.700 2.076 1.845 2.711 0.011 11 0 "[ . 1 . 2]" 2
86 1 26 LEU QD 1 27 MET HA 4.000 . 5.500 4.978 4.134 5.132 . 0 0 "[ . 1 . 2]" 2
87 1 26 LEU QB 1 30 PHE QE 4.000 . 6.000 3.398 2.481 4.978 . 0 0 "[ . 1 . 2]" 2
88 1 26 LEU QD 1 30 PHE QD 3.000 . 3.800 3.193 2.665 3.670 . 0 0 "[ . 1 . 2]" 2
89 1 27 MET HA 1 30 PHE QD 3.700 2.500 4.900 4.521 4.240 4.855 . 0 0 "[ . 1 . 2]" 2
90 1 28 GLN HA 1 28 GLN QG 3.000 . 3.800 2.454 2.242 2.939 . 0 0 "[ . 1 . 2]" 2
91 1 30 PHE HA 1 30 PHE QD 3.000 . 3.800 2.254 1.917 3.031 . 0 0 "[ . 1 . 2]" 2
92 1 30 PHE HA 1 71 GLN QB 4.000 . 5.000 3.271 3.062 3.500 . 0 0 "[ . 1 . 2]" 2
93 1 30 PHE QD 1 71 GLN QB 4.000 . 5.500 3.359 2.353 3.841 . 0 0 "[ . 1 . 2]" 2
94 1 30 PHE QB 1 71 GLN QB 4.000 . 6.000 2.342 2.105 2.847 . 0 0 "[ . 1 . 2]" 2
95 1 30 PHE HA 1 71 GLN QG 4.000 . 5.500 4.104 3.168 4.391 . 0 0 "[ . 1 . 2]" 2
96 1 30 PHE QD 1 74 GLU QG 4.000 . 5.500 4.222 3.224 5.390 . 0 0 "[ . 1 . 2]" 2
97 1 30 PHE QD 1 74 GLU QB 3.000 . 4.300 3.132 2.362 3.590 . 0 0 "[ . 1 . 2]" 2
98 1 30 PHE HA 1 75 ALA MB 4.000 . 5.500 5.378 4.691 5.688 0.188 5 0 "[ . 1 . 2]" 2
99 1 30 PHE QB 1 75 ALA MB 3.000 . 4.300 2.904 2.328 3.096 . 0 0 "[ . 1 . 2]" 2
100 1 30 PHE QE 1 75 ALA MB 3.000 . 4.300 4.257 4.120 4.413 0.113 6 0 "[ . 1 . 2]" 2
101 1 30 PHE QE 1 75 ALA HA 3.000 . 3.800 3.136 3.017 3.478 . 0 0 "[ . 1 . 2]" 2
102 1 30 PHE HZ 1 78 ALA MB 2.500 . 3.200 3.808 3.537 4.011 0.811 17 16 "[*******-**** .*+ **]" 2
103 1 31 ASP QB 1 70 PRO QB 4.000 . 5.500 3.006 2.604 3.754 . 0 0 "[ . 1 . 2]" 2
104 1 32 ALA MB 1 67 ALA HA 4.000 . 5.500 4.203 4.139 4.307 . 0 0 "[ . 1 . 2]" 2
105 1 32 ALA MB 1 69 GLY QA 4.000 . 5.500 1.717 1.529 1.945 0.271 20 0 "[ . 1 . 2]" 2
106 1 32 ALA HA 1 72 GLU QB 4.000 . 5.000 4.483 4.290 4.644 . 0 0 "[ . 1 . 2]" 2
107 1 32 ALA MB 1 72 GLU HA 2.500 . 3.200 2.227 2.105 2.417 . 0 0 "[ . 1 . 2]" 2
108 1 33 GLU QB 1 68 THR HB 3.000 . 3.300 2.910 2.808 3.022 . 0 0 "[ . 1 . 2]" 2
109 1 34 VAL HA 1 34 VAL QG . . 2.700 2.107 2.024 2.249 . 0 0 "[ . 1 . 2]" 2
110 1 34 VAL HA 1 46 ALA MB 4.000 . 5.500 4.549 3.946 5.279 . 0 0 "[ . 1 . 2]" 2
111 1 34 VAL HB 1 46 ALA MB 3.000 . 3.800 2.995 2.259 3.847 0.047 15 0 "[ . 1 . 2]" 2
112 1 34 VAL HB 1 67 ALA HA 4.000 . 5.000 4.894 4.293 5.223 0.223 10 0 "[ . 1 . 2]" 2
113 1 34 VAL HA 1 67 ALA MB 3.000 . 3.800 3.036 2.745 3.166 . 0 0 "[ . 1 . 2]" 2
114 1 34 VAL QG 1 67 ALA HA 3.000 . 3.300 3.046 2.854 3.247 . 0 0 "[ . 1 . 2]" 2
115 1 34 VAL HA 1 67 ALA HA 2.500 . 2.700 2.239 2.194 2.297 . 0 0 "[ . 1 . 2]" 2
116 1 35 LEU HA 1 35 LEU QD 3.000 . 3.300 3.069 2.994 3.099 . 0 0 "[ . 1 . 2]" 2
117 1 35 LEU QD 1 37 ARG QB 4.000 . 5.000 2.790 2.466 3.559 . 0 0 "[ . 1 . 2]" 2
118 1 36 LEU HA 1 36 LEU QD 3.000 . 3.200 2.468 2.098 3.011 . 0 0 "[ . 1 . 2]" 2
119 1 36 LEU QD 1 46 ALA HA . . 3.200 2.674 2.034 3.202 0.002 14 0 "[ . 1 . 2]" 2
120 1 36 LEU HA 1 63 ILE QG 4.000 . 5.500 5.318 5.039 5.559 0.059 3 0 "[ . 1 . 2]" 2
121 1 36 LEU QD 1 83 PHE HZ 4.000 . 5.500 3.320 2.696 3.995 . 0 0 "[ . 1 . 2]" 2
122 1 36 LEU QD 1 83 PHE QD 4.000 . 6.000 5.002 4.504 5.408 . 0 0 "[ . 1 . 2]" 2
123 1 36 LEU QD 1 83 PHE QE 4.000 . 6.000 3.449 2.686 4.060 . 0 0 "[ . 1 . 2]" 2
124 1 37 ARG QB 1 37 ARG QD 3.000 . 3.800 2.241 2.120 2.343 . 0 0 "[ . 1 . 2]" 2
125 1 37 ARG HA 1 37 ARG QG 3.000 . 3.300 2.567 2.218 3.301 0.001 10 0 "[ . 1 . 2]" 2
126 1 37 ARG QB 1 64 GLU QB 3.000 . 3.800 2.655 2.263 4.049 0.249 10 0 "[ . 1 . 2]" 2
127 1 38 ASN HA 1 63 ILE HB 4.000 . 5.000 3.167 3.075 3.383 . 0 0 "[ . 1 . 2]" 2
128 1 38 ASN QB 1 63 ILE MD 4.000 . 5.500 5.614 5.406 5.718 0.218 12 0 "[ . 1 . 2]" 2
129 1 38 ASN HA 1 63 ILE MG 3.000 . 3.800 2.183 2.143 2.235 . 0 0 "[ . 1 . 2]" 2
130 1 42 THR HA 1 42 THR MG 2.500 . 3.200 2.481 2.309 2.566 . 0 0 "[ . 1 . 2]" 2
131 1 42 THR MG 1 55 LEU QB 4.000 2.500 5.500 5.799 5.654 5.916 0.416 4 0 "[ . 1 . 2]" 2
132 1 42 THR MG 1 55 LEU QD 2.500 . 3.200 3.471 3.364 3.667 0.467 7 0 "[ . 1 . 2]" 2
133 1 44 ALA MB 1 51 ALA HA 3.000 . 3.800 3.333 2.419 3.668 . 0 0 "[ . 1 . 2]" 2
134 1 46 ALA MB 1 47 ASN HA 4.000 . 5.500 3.974 3.732 4.142 . 0 0 "[ . 1 . 2]" 2
135 1 48 SER QB 1 51 ALA MB 4.000 . 5.500 2.423 2.218 2.652 . 0 0 "[ . 1 . 2]" 2
136 1 49 VAL HA 1 49 VAL QG 2.500 . 2.700 2.229 2.085 2.317 . 0 0 "[ . 1 . 2]" 2
137 1 49 VAL HA 1 52 LEU QB . . 3.300 2.740 2.428 2.896 . 0 0 "[ . 1 . 2]" 2
138 1 50 ILE MG 1 51 ALA HA 3.000 . 3.800 3.433 3.347 3.518 . 0 0 "[ . 1 . 2]" 2
139 1 50 ILE HA 1 53 LEU QB 4.000 . 5.000 2.841 2.630 3.098 . 0 0 "[ . 1 . 2]" 2
140 1 51 ALA HA 1 54 MET QB 3.000 . 3.800 2.745 2.521 3.043 . 0 0 "[ . 1 . 2]" 2
141 1 52 LEU HA 1 55 LEU QB 2.500 . 3.200 2.854 2.601 3.016 . 0 0 "[ . 1 . 2]" 2
142 1 52 LEU QD 1 83 PHE HZ 4.000 . 5.500 5.380 4.769 5.703 0.203 8 0 "[ . 1 . 2]" 2
143 1 52 LEU QD 1 83 PHE QE 4.000 . 6.000 5.686 5.210 6.032 0.032 8 0 "[ . 1 . 2]" 2
144 1 53 LEU HA 1 53 LEU QD 2.500 . 2.700 2.102 1.896 2.394 . 0 0 "[ . 1 . 2]" 2
145 1 53 LEU HA 1 56 ASP QB 3.000 . 3.800 3.090 2.723 3.595 . 0 0 "[ . 1 . 2]" 2
146 1 55 LEU HA 1 58 ALA MB 3.000 . 3.800 2.343 2.231 2.521 . 0 0 "[ . 1 . 2]" 2
147 1 58 ALA HA 1 61 ARG QB . . 3.300 2.486 2.336 2.713 . 0 0 "[ . 1 . 2]" 2
148 1 58 ALA HA 1 61 ARG QG 3.000 . 3.800 2.748 2.117 3.578 . 0 0 "[ . 1 . 2]" 2
149 1 58 ALA HA 1 61 ARG QD 3.000 . 3.800 2.526 2.256 4.111 0.311 2 0 "[ . 1 . 2]" 2
150 1 63 ILE MD 1 83 PHE HZ 4.000 . 5.500 3.974 3.679 4.504 . 0 0 "[ . 1 . 2]" 2
151 1 63 ILE MG 1 83 PHE QE 4.000 . 6.000 4.931 4.294 5.768 . 0 0 "[ . 1 . 2]" 2
152 1 64 GLU HA 1 64 GLU QG 2.500 . 3.200 2.591 2.424 2.669 . 0 0 "[ . 1 . 2]" 2
153 1 66 GLU HA 1 66 GLU QG 3.000 . 3.800 2.409 2.375 2.574 . 0 0 "[ . 1 . 2]" 2
154 1 66 GLU HA 1 76 LEU QD 3.000 . 3.300 3.098 2.663 3.490 0.190 12 0 "[ . 1 . 2]" 2
155 1 67 ALA MB 1 72 GLU QG 4.000 . 5.500 3.623 3.444 3.750 . 0 0 "[ . 1 . 2]" 2
156 1 67 ALA MB 1 72 GLU QB 3.000 . 3.800 2.332 2.041 2.508 . 0 0 "[ . 1 . 2]" 2
157 1 67 ALA MB 1 72 GLU HA 2.500 . 3.200 2.417 2.243 2.542 . 0 0 "[ . 1 . 2]" 2
158 1 67 ALA MB 1 76 LEU QD 2.500 . 3.200 2.451 1.761 2.874 0.039 4 0 "[ . 1 . 2]" 2
159 1 68 THR HA 1 68 THR MG 3.000 . 3.800 2.232 2.199 2.263 . 0 0 "[ . 1 . 2]" 2
160 1 68 THR MG 1 69 GLY QA 4.000 . 5.500 3.188 3.068 3.304 . 0 0 "[ . 1 . 2]" 2
161 1 68 THR HA 1 72 GLU QG 4.000 . 5.000 4.181 3.983 4.319 . 0 0 "[ . 1 . 2]" 2
162 1 68 THR HA 1 72 GLU QB . . 3.300 2.534 2.428 2.632 . 0 0 "[ . 1 . 2]" 2
163 1 69 GLY QA 1 70 PRO QG 4.000 . 5.500 3.731 3.721 3.745 . 0 0 "[ . 1 . 2]" 2
164 1 69 GLY QA 1 70 PRO QD 2.500 . 3.200 1.991 1.963 2.027 . 0 0 "[ . 1 . 2]" 2
165 1 70 PRO HA 1 70 PRO QD 4.000 . 5.500 3.327 3.290 3.423 . 0 0 "[ . 1 . 2]" 2
166 1 71 GLN HA 1 71 GLN HG3 4.000 . 5.000 2.972 2.824 3.704 . 0 0 "[ . 1 . 2]" 2
167 1 71 GLN HA 1 71 GLN HG2 4.000 . 5.000 2.432 2.350 2.571 . 0 0 "[ . 1 . 2]" 2
168 1 72 GLU HA 1 75 ALA MB 2.500 . 3.200 2.897 2.661 3.097 . 0 0 "[ . 1 . 2]" 2
169 1 73 GLU HA 1 73 GLU QG 3.000 . 3.800 2.632 2.292 3.298 . 0 0 "[ . 1 . 2]" 2
170 1 73 GLU HA 1 76 LEU QB . . 3.300 2.812 2.696 2.930 . 0 0 "[ . 1 . 2]" 2
171 1 73 GLU HA 1 76 LEU QD 4.000 . 5.500 3.478 2.642 3.708 . 0 0 "[ . 1 . 2]" 2
172 1 74 GLU HA 1 74 GLU QG 2.500 . 2.700 2.355 2.244 2.803 0.103 20 0 "[ . 1 . 2]" 2
173 1 74 GLU HA 1 77 ALA MB 2.500 . 3.200 2.508 2.369 2.692 . 0 0 "[ . 1 . 2]" 2
174 1 75 ALA HA 1 78 ALA MB 3.000 . 3.800 2.718 2.565 2.948 . 0 0 "[ . 1 . 2]" 2
175 1 76 LEU HA 1 76 LEU QD 2.500 . 2.700 2.181 2.043 2.642 . 0 0 "[ . 1 . 2]" 2
176 1 76 LEU HA 1 79 VAL HB 3.000 . 3.300 2.850 2.675 3.061 . 0 0 "[ . 1 . 2]" 2
177 1 77 ALA HA 1 80 ILE HB 3.000 . 3.300 2.528 2.457 2.602 . 0 0 "[ . 1 . 2]" 2
178 1 77 ALA HA 1 80 ILE MD 3.000 . 3.800 2.878 2.612 3.274 . 0 0 "[ . 1 . 2]" 2
179 1 77 ALA HA 1 80 ILE MG 3.000 . 3.800 3.815 3.710 3.886 0.086 19 0 "[ . 1 . 2]" 2
180 1 79 VAL HA 1 79 VAL QG 3.000 . 3.200 2.086 2.034 2.120 . 0 0 "[ . 1 . 2]" 2
181 1 79 VAL QG 1 80 ILE HA 4.000 . 5.000 3.455 3.341 3.575 . 0 0 "[ . 1 . 2]" 2
182 1 79 VAL HA 1 82 LEU QB 3.000 . 3.300 2.681 2.590 2.844 . 0 0 "[ . 1 . 2]" 2
183 1 79 VAL QG 1 83 PHE QD 4.000 . 5.500 3.155 2.884 3.383 . 0 0 "[ . 1 . 2]" 2
184 1 79 VAL QG 1 83 PHE QE 3.000 . 3.800 2.511 2.310 2.659 . 0 0 "[ . 1 . 2]" 2
185 1 80 ILE HA 1 80 ILE MD 3.000 . 3.800 3.771 3.762 3.780 . 0 0 "[ . 1 . 2]" 2
186 1 80 ILE HA 1 80 ILE MG 2.500 . 3.200 2.440 2.420 2.455 . 0 0 "[ . 1 . 2]" 2
187 1 80 ILE MG 1 81 ALA HA 4.000 . 5.500 3.243 3.196 3.353 . 0 0 "[ . 1 . 2]" 2
188 1 80 ILE MG 1 83 PHE HA 4.500 2.300 6.000 6.106 6.033 6.161 0.161 19 0 "[ . 1 . 2]" 2
189 1 80 ILE HA 1 83 PHE QD 4.000 . 5.500 3.885 3.416 4.166 . 0 0 "[ . 1 . 2]" 2
190 1 80 ILE HA 1 83 PHE QB 3.000 . 3.300 2.632 2.474 3.281 . 0 0 "[ . 1 . 2]" 2
191 1 81 ALA MB 1 83 PHE QD 4.000 . 6.000 5.942 5.828 6.152 0.152 10 0 "[ . 1 . 2]" 2
192 1 81 ALA HA 1 84 ASN QB . . 3.300 2.767 2.418 2.962 . 0 0 "[ . 1 . 2]" 2
193 1 82 LEU QD 1 84 ASN QB 4.000 . 5.500 5.786 5.345 6.058 0.558 19 4 "[ - * * 1 . +2]" 2
194 1 83 PHE HA 1 83 PHE QD 3.000 . 3.800 2.289 1.985 2.591 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 75
_Distance_constraint_stats_list.Viol_count 235
_Distance_constraint_stats_list.Viol_total 963.614
_Distance_constraint_stats_list.Viol_max 0.711
_Distance_constraint_stats_list.Viol_rms 0.0951
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0321
_Distance_constraint_stats_list.Viol_average_violations_only 0.2050
_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 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.262 0.074 19 0 "[ . 1 . 2]"
1 9 ILE 1.776 0.493 18 0 "[ . 1 . 2]"
1 17 ALA 0.031 0.031 5 0 "[ . 1 . 2]"
1 18 ARG 0.859 0.135 18 0 "[ . 1 . 2]"
1 19 PRO 0.029 0.029 17 0 "[ . 1 . 2]"
1 20 ALA 8.068 0.489 18 0 "[ . 1 . 2]"
1 21 MET 12.569 0.666 20 3 "[ . *1 - +]"
1 22 LYS 0.859 0.135 18 0 "[ . 1 . 2]"
1 23 LEU 0.029 0.029 17 0 "[ . 1 . 2]"
1 24 PHE 14.528 0.569 15 2 "[ . -1 + 2]"
1 25 GLU 12.538 0.666 20 3 "[ . *1 - +]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 6.461 0.569 15 2 "[ . -1 + 2]"
1 33 GLU 0.124 0.056 2 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 10.935 0.711 7 4 "[ *. +- 1 * 2]"
1 37 ARG 4.301 0.348 3 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 10.935 0.711 7 4 "[ *. +- 1 * 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.180 0.102 10 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 2.600 0.276 7 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 MET 0.180 0.102 10 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 2.600 0.276 7 0 "[ . 1 . 2]"
1 60 GLY 1.776 0.493 18 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.262 0.074 19 0 "[ . 1 . 2]"
1 64 GLU 4.301 0.348 3 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.124 0.056 2 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.018 0.018 10 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 SER 0.018 0.018 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ALA O 1 21 MET N 3.000 2.500 3.500 3.033 2.566 3.453 . 0 0 "[ . 1 . 2]" 3
2 1 17 ALA O 1 21 MET H 2.000 . 2.500 2.083 1.657 2.531 0.031 5 0 "[ . 1 . 2]" 3
3 1 18 ARG O 1 22 LYS N 3.000 2.500 3.500 2.578 2.365 3.080 0.135 18 0 "[ . 1 . 2]" 3
4 1 18 ARG O 1 22 LYS H 2.000 . 2.500 1.626 1.394 2.160 0.106 18 0 "[ . 1 . 2]" 3
5 1 19 PRO O 1 23 LEU N 3.000 2.500 3.500 2.788 2.471 2.983 0.029 17 0 "[ . 1 . 2]" 3
6 1 19 PRO O 1 23 LEU H 2.000 . 2.500 1.902 1.597 2.064 . 0 0 "[ . 1 . 2]" 3
7 1 20 ALA O 1 24 PHE N 3.000 2.500 3.500 3.638 3.366 3.865 0.365 18 0 "[ . 1 . 2]" 3
8 1 20 ALA O 1 24 PHE H 2.000 . 2.500 2.744 2.464 2.989 0.489 18 0 "[ . 1 . 2]" 3
9 1 21 MET O 1 25 GLU N 3.000 2.500 3.500 3.756 3.590 4.018 0.518 20 2 "[ . 1 - +]" 3
10 1 21 MET O 1 25 GLU H 2.000 . 2.500 2.870 2.700 3.166 0.666 20 3 "[ . -1 * +]" 3
11 1 22 LYS O 1 26 LEU N 3.000 2.500 3.500 2.802 2.574 2.960 . 0 0 "[ . 1 . 2]" 3
12 1 22 LYS O 1 26 LEU H 2.000 . 2.500 1.897 1.666 2.095 . 0 0 "[ . 1 . 2]" 3
13 1 23 LEU O 1 27 MET N 3.000 2.500 3.500 2.827 2.668 2.960 . 0 0 "[ . 1 . 2]" 3
14 1 23 LEU O 1 27 MET H 2.000 . 2.500 1.876 1.712 1.999 . 0 0 "[ . 1 . 2]" 3
15 1 24 PHE O 1 28 GLN N 3.000 2.500 3.500 3.570 3.394 3.848 0.348 9 0 "[ . 1 . 2]" 3
16 1 24 PHE O 1 28 GLN H 2.000 . 2.500 2.739 2.539 3.069 0.569 15 2 "[ . -1 + 2]" 3
17 1 49 VAL O 1 53 LEU N 3.000 2.500 3.500 3.202 3.047 3.280 . 0 0 "[ . 1 . 2]" 3
18 1 49 VAL O 1 53 LEU H 2.000 . 2.500 2.300 2.129 2.372 . 0 0 "[ . 1 . 2]" 3
19 1 50 ILE O 1 54 MET N 3.000 2.500 3.500 3.262 3.110 3.477 . 0 0 "[ . 1 . 2]" 3
20 1 50 ILE O 1 54 MET H 2.000 . 2.500 2.407 2.256 2.602 0.102 10 0 "[ . 1 . 2]" 3
21 1 51 ALA O 1 55 LEU N 3.000 2.500 3.500 3.025 2.883 3.131 . 0 0 "[ . 1 . 2]" 3
22 1 51 ALA O 1 55 LEU H 2.000 . 2.500 2.128 1.967 2.251 . 0 0 "[ . 1 . 2]" 3
23 1 52 LEU O 1 56 ASP N 3.000 2.500 3.500 3.342 3.060 3.508 0.008 15 0 "[ . 1 . 2]" 3
24 1 52 LEU O 1 56 ASP H 2.000 . 2.500 2.579 2.233 2.776 0.276 7 0 "[ . 1 . 2]" 3
25 1 72 GLU O 1 76 LEU N 3.000 2.500 3.500 3.059 2.766 3.300 . 0 0 "[ . 1 . 2]" 3
26 1 72 GLU O 1 76 LEU H 2.000 . 2.500 2.112 1.814 2.350 . 0 0 "[ . 1 . 2]" 3
27 1 73 GLU O 1 77 ALA N 3.000 2.500 3.500 2.768 2.597 3.065 . 0 0 "[ . 1 . 2]" 3
28 1 73 GLU O 1 77 ALA H 2.000 . 2.500 1.830 1.655 2.167 . 0 0 "[ . 1 . 2]" 3
29 1 74 GLU O 1 78 ALA N 3.000 2.500 3.500 2.764 2.594 2.973 . 0 0 "[ . 1 . 2]" 3
30 1 74 GLU O 1 78 ALA H 2.000 . 2.500 1.820 1.650 2.042 . 0 0 "[ . 1 . 2]" 3
31 1 75 ALA O 1 79 VAL N 3.000 2.500 3.500 3.040 2.910 3.260 . 0 0 "[ . 1 . 2]" 3
32 1 75 ALA O 1 79 VAL H 2.000 . 2.500 2.103 1.973 2.325 . 0 0 "[ . 1 . 2]" 3
33 1 76 LEU O 1 80 ILE N 3.000 2.500 3.500 2.754 2.615 2.916 . 0 0 "[ . 1 . 2]" 3
34 1 76 LEU O 1 80 ILE H 2.000 . 2.500 1.803 1.653 1.968 . 0 0 "[ . 1 . 2]" 3
35 1 77 ALA O 1 81 ALA N 3.000 2.500 3.500 2.728 2.648 2.779 . 0 0 "[ . 1 . 2]" 3
36 1 77 ALA O 1 81 ALA H 2.000 . 2.500 1.809 1.727 1.863 . 0 0 "[ . 1 . 2]" 3
37 1 79 VAL O 1 83 PHE N 3.000 2.500 3.500 2.970 2.866 3.292 . 0 0 "[ . 1 . 2]" 3
38 1 79 VAL O 1 83 PHE H 2.000 . 2.500 2.057 1.939 2.352 . 0 0 "[ . 1 . 2]" 3
39 1 80 ILE O 1 84 ASN N 3.000 2.500 3.500 2.853 2.733 2.959 . 0 0 "[ . 1 . 2]" 3
40 1 80 ILE O 1 84 ASN H 2.000 . 2.500 1.998 1.908 2.116 . 0 0 "[ . 1 . 2]" 3
41 1 81 ALA O 1 85 SER N 3.000 2.500 3.500 3.069 2.482 3.462 0.018 10 0 "[ . 1 . 2]" 3
42 1 37 ARG O 1 64 GLU N 3.000 2.500 3.500 2.580 2.494 2.808 0.006 11 0 "[ . 1 . 2]" 3
43 1 37 ARG O 1 64 GLU H 2.000 . 2.500 1.643 1.551 1.899 . 0 0 "[ . 1 . 2]" 3
44 1 37 ARG N 1 64 GLU O 3.000 2.500 3.500 3.269 3.078 3.459 . 0 0 "[ . 1 . 2]" 3
45 1 37 ARG H 1 64 GLU O 2.000 . 2.500 2.715 2.533 2.848 0.348 3 0 "[ . 1 . 2]" 3
46 1 35 LEU O 1 66 GLU N 3.000 2.500 3.500 2.698 2.583 2.827 . 0 0 "[ . 1 . 2]" 3
47 1 35 LEU O 1 66 GLU H 2.000 . 2.500 1.731 1.612 1.851 . 0 0 "[ . 1 . 2]" 3
48 1 35 LEU N 1 66 GLU O 3.000 2.500 3.500 2.609 2.541 2.676 . 0 0 "[ . 1 . 2]" 3
49 1 35 LEU H 1 66 GLU O 2.000 . 2.500 1.683 1.601 1.803 . 0 0 "[ . 1 . 2]" 3
50 1 33 GLU O 1 68 THR N 3.000 2.500 3.500 2.760 2.696 2.852 . 0 0 "[ . 1 . 2]" 3
51 1 33 GLU O 1 68 THR H 2.000 . 2.500 1.821 1.738 1.928 . 0 0 "[ . 1 . 2]" 3
52 1 33 GLU N 1 68 THR O 3.000 2.500 3.500 2.542 2.444 2.673 0.056 2 0 "[ . 1 . 2]" 3
53 1 33 GLU H 1 68 THR O 2.000 . 2.500 1.686 1.579 1.853 . 0 0 "[ . 1 . 2]" 3
54 1 9 ILE N 1 61 ARG O 3.000 2.500 3.500 3.052 2.750 3.290 . 0 0 "[ . 1 . 2]" 3
55 1 9 ILE H 1 61 ARG O 2.000 . 2.500 2.161 1.821 2.397 . 0 0 "[ . 1 . 2]" 3
56 1 9 ILE O 1 60 GLY N 3.000 2.500 3.500 3.160 2.631 3.534 0.034 18 0 "[ . 1 . 2]" 3
57 1 9 ILE O 1 60 GLY H 2.000 . 2.500 2.541 1.997 2.993 0.493 18 0 "[ . 1 . 2]" 3
58 1 5 GLN N 1 65 VAL O 3.000 2.500 3.500 2.894 2.782 3.005 . 0 0 "[ . 1 . 2]" 3
59 1 5 GLN H 1 65 VAL O 2.000 . 2.500 2.041 1.904 2.190 . 0 0 "[ . 1 . 2]" 3
60 1 5 GLN O 1 65 VAL N 3.000 2.500 3.500 3.205 2.990 3.335 . 0 0 "[ . 1 . 2]" 3
61 1 5 GLN O 1 65 VAL H 2.000 . 2.500 2.322 2.080 2.456 . 0 0 "[ . 1 . 2]" 3
62 1 7 VAL N 1 63 ILE O 3.000 2.500 3.500 3.166 2.944 3.349 . 0 0 "[ . 1 . 2]" 3
63 1 7 VAL H 1 63 ILE O 2.000 . 2.500 2.226 1.987 2.434 . 0 0 "[ . 1 . 2]" 3
64 1 7 VAL O 1 63 ILE N 3.000 2.500 3.500 3.378 3.109 3.512 0.012 19 0 "[ . 1 . 2]" 3
65 1 7 VAL O 1 63 ILE H 2.000 . 2.500 2.424 2.158 2.574 0.074 19 0 "[ . 1 . 2]" 3
66 1 3 VAL N 1 67 ALA O 3.000 2.500 3.500 2.871 2.682 2.981 . 0 0 "[ . 1 . 2]" 3
67 1 3 VAL H 1 67 ALA O 2.000 . 2.500 1.921 1.722 2.060 . 0 0 "[ . 1 . 2]" 3
68 1 3 VAL O 1 67 ALA N 3.000 2.500 3.500 2.867 2.727 3.176 . 0 0 "[ . 1 . 2]" 3
69 1 3 VAL O 1 67 ALA H 2.000 . 2.500 1.973 1.828 2.313 . 0 0 "[ . 1 . 2]" 3
70 1 36 LEU N 1 44 ALA O 3.000 2.500 3.500 3.667 3.461 3.955 0.455 7 0 "[ . 1 . 2]" 3
71 1 36 LEU H 1 44 ALA O 2.000 . 2.500 2.877 2.649 3.211 0.711 7 4 "[ *. +- 1 * 2]" 3
72 1 36 LEU O 1 44 ALA N 3.000 2.500 3.500 2.755 2.590 2.979 . 0 0 "[ . 1 . 2]" 3
73 1 36 LEU O 1 44 ALA H 2.000 . 2.500 2.046 1.879 2.215 . 0 0 "[ . 1 . 2]" 3
74 1 38 ASN N 1 42 THR O 3.000 2.500 3.500 2.952 2.787 3.149 . 0 0 "[ . 1 . 2]" 3
75 1 38 ASN H 1 42 THR O 2.000 . 2.500 1.996 1.831 2.197 . 0 0 "[ . 1 . 2]" 3
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