NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438891 |
2k5p   |
15844 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k5p
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 828
_Distance_constraint_stats_list.Viol_count 1221
_Distance_constraint_stats_list.Viol_total 6814.526
_Distance_constraint_stats_list.Viol_max 0.732
_Distance_constraint_stats_list.Viol_rms 0.0891
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0206
_Distance_constraint_stats_list.Viol_average_violations_only 0.2791
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 15.189 0.665 3 14 "[ +*. ** ****-.*****]"
1 2 ASN 7.154 0.525 1 4 "[+ * .- *1 . 2]"
1 3 LEU 25.466 0.592 12 12 "[-* *. * 1 +**.*****]"
1 4 THR 13.728 0.551 6 15 "[*****+ * 1*- *** ***]"
1 5 VAL 5.543 0.523 9 2 "[ .- +1 . 2]"
1 6 ASN 13.730 0.631 20 11 "[ *.**- 1 * ** ***+]"
1 7 GLY 1.996 0.565 6 2 "[ .+ 1- . 2]"
1 8 LYS 18.700 0.618 14 17 "[****** **-** +** ***]"
1 9 PRO 3.709 0.556 8 2 "[ . + - . 2]"
1 10 SER 2.838 0.461 17 0 "[ . 1 . 2]"
1 11 THR 15.145 0.593 10 6 "[** . *-+ * 2]"
1 12 VAL 14.482 0.665 3 9 "[*-+ . *** * **]"
1 13 ASP 1.428 0.552 1 1 "[+ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 3.332 0.581 7 6 "[*- . + ** . *2]"
1 16 GLU 2.486 0.451 1 0 "[ . 1 . 2]"
1 17 SER 10.062 0.581 7 2 "[ . + 1 - 2]"
1 18 LEU 18.534 0.587 3 8 "[ + * * *- ** *]"
1 19 ASN 17.741 0.628 16 11 "[-* *** ** .+** *]"
1 20 VAL 12.360 0.588 6 4 "[ .+* -* . 2]"
1 21 THR 7.636 0.573 6 6 "[ ***+ -1 * . 2]"
1 22 GLU 10.023 0.628 16 10 "[- *** ** .+** *]"
1 23 LEU 11.402 0.587 3 6 "[ + . *1 -** *]"
1 24 LEU 11.886 0.588 6 8 "[ * *.+* * *. -*2]"
1 25 SER 1.801 0.508 1 1 "[+ . 1 . 2]"
1 26 ALA 0.591 0.189 15 0 "[ . 1 . 2]"
1 27 LEU 5.474 0.538 1 2 "[+ -. 1 . 2]"
1 28 LYS 0.712 0.365 13 0 "[ . 1 . 2]"
1 29 VAL 8.306 0.539 6 4 "[* *.+ 1 . - 2]"
1 30 ALA 7.166 0.578 2 2 "[ + . 1 - . 2]"
1 31 GLN 14.057 0.578 2 5 "[ + ** 1 * . -]"
1 32 ALA 9.794 0.553 5 14 "[* *+ ***** ***-**]"
1 33 GLU 3.708 0.500 1 0 "[ . 1 . 2]"
1 34 TYR 18.975 0.553 5 14 "[* *+ ***** ***-**]"
1 35 VAL 18.849 0.584 17 15 "[* ********* *-+ **]"
1 36 THR 24.274 0.566 7 16 "[*** **+**1* ***-* **]"
1 37 VAL 9.807 0.539 6 7 "[- .+ ** .* * *]"
1 38 GLU 10.097 0.629 10 10 "[* ** - + ***. * *]"
1 39 LEU 17.461 0.732 11 15 "[*-*** ** *+***. ** *]"
1 40 ASN 12.212 0.732 11 9 "[** .* * *+ .** *2]"
1 41 GLY 0.125 0.070 5 0 "[ . 1 . 2]"
1 42 GLU 3.703 0.530 10 2 "[- . + . 2]"
1 43 VAL 4.542 0.530 16 2 "[ . 1 .+ -]"
1 44 LEU 7.885 0.548 11 7 "[ .* *+* .** -]"
1 45 GLU 3.850 0.549 9 1 "[ . +1 . 2]"
1 46 ARG 2.978 0.526 3 2 "[ + . - 1 . 2]"
1 47 GLU 6.660 0.549 9 2 "[ - . +1 . 2]"
1 48 ALA 2.716 0.271 18 0 "[ . 1 . 2]"
1 49 PHE 20.879 0.567 7 11 "[ ***. + 1****. * *-]"
1 50 ASP 0.293 0.148 2 0 "[ . 1 . 2]"
1 51 ALA 0.388 0.149 12 0 "[ . 1 . 2]"
1 52 THR 3.292 0.514 1 1 "[+ . 1 . 2]"
1 53 THR 5.731 0.540 2 1 "[ + . 1 . 2]"
1 54 VAL 12.729 0.652 4 11 "[ * +*** *- * * * *]"
1 55 LYS 14.719 0.652 4 14 "[-**+.******* .* **2]"
1 56 ASP 10.629 0.592 12 4 "[ * .- * 1 + . 2]"
1 57 GLY 11.794 0.589 4 10 "[-* +. * 1 * ** ***]"
1 58 ASP 12.546 0.589 4 11 "[***+. ** *-* * *2]"
1 59 ALA 4.420 0.537 19 5 "[ * .- 1 .* +*]"
1 60 VAL 15.320 0.604 12 13 "[* ***** 1*+**- * *]"
1 61 GLU 16.008 0.654 18 9 "[- .** *** *. + *]"
1 62 PHE 36.283 0.677 6 18 "[* ***+***1****-*****]"
1 63 LEU 28.543 0.677 6 14 "[*****+****- **. *]"
1 64 TYR 4.840 0.557 20 2 "[ - . 1 . +]"
1 65 PHE 16.979 0.619 13 11 "[* * ** * ** +*. * -]"
1 66 MET 0.350 0.185 19 0 "[ . 1 . 2]"
1 67 GLY 6.524 0.464 2 0 "[ . 1 . 2]"
1 68 GLY 6.633 0.464 2 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.928 0.278 9 0 "[ . 1 . 2]"
1 71 LEU 1.555 0.536 13 1 "[ . 1 + . 2]"
1 72 GLU 0.736 0.536 13 1 "[ . 1 + . 2]"
1 73 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ASN H . . 2.900 2.298 2.168 2.501 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 ASN QB . . 5.000 4.500 4.382 4.644 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 56 ASP HB2 . . 5.000 3.232 2.369 4.066 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HB3 1 2 ASN H . . 5.000 3.942 3.634 4.147 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HB3 1 3 LEU MD1 . . 5.000 5.047 4.212 5.541 0.541 17 5 "[ *. 1 *-. + *2]" 1
6 1 1 MET HB3 1 3 LEU MD2 . . 5.000 4.567 4.128 5.386 0.386 1 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 55 LYS HA . . 5.000 3.731 2.996 4.539 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET HB3 1 56 ASP H . . 5.000 3.933 3.472 4.520 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET HB3 1 56 ASP HA . . 5.000 3.562 3.211 3.912 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET HB3 1 56 ASP HB2 . . 5.000 3.198 2.802 3.809 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET QB 1 57 GLY H . . 5.000 3.831 3.386 4.275 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET HG3 1 2 ASN H . . 5.000 4.083 3.568 4.525 . 0 0 "[ . 1 . 2]" 1
13 1 1 MET HG3 1 3 LEU HG . . 5.000 2.955 1.914 5.005 0.005 3 0 "[ . 1 . 2]" 1
14 1 1 MET QG 1 3 LEU MD1 . . 5.000 2.778 1.781 3.042 . 0 0 "[ . 1 . 2]" 1
15 1 1 MET QG 1 3 LEU MD2 . . 5.000 2.639 1.752 3.657 . 0 0 "[ . 1 . 2]" 1
16 1 1 MET HG3 1 12 VAL H . . 5.000 4.143 3.417 5.665 0.665 3 3 "[ + . - . *]" 1
17 1 1 MET QG 1 12 VAL HB . . 5.000 4.488 4.116 5.106 0.106 20 0 "[ . 1 . 2]" 1
18 1 1 MET HG3 1 12 VAL MG1 . . 5.000 4.850 4.342 5.578 0.578 20 3 "[ * . - . +]" 1
19 1 1 MET HG3 1 12 VAL MG2 . . 5.000 2.596 2.116 3.566 . 0 0 "[ . 1 . 2]" 1
20 1 1 MET QG 1 15 ALA MB . . 5.000 2.802 1.794 4.778 . 0 0 "[ . 1 . 2]" 1
21 1 1 MET HG3 1 55 LYS HA . . 5.000 4.882 3.120 5.544 0.544 16 6 "[ . *- 1** .+ * 2]" 1
22 1 1 MET QG 1 57 GLY H . . 5.000 4.873 4.397 5.462 0.462 19 0 "[ . 1 . 2]" 1
23 1 2 ASN H 1 2 ASN QB . . 3.500 2.455 2.317 2.524 . 0 0 "[ . 1 . 2]" 1
24 1 2 ASN H 1 2 ASN HD21 . . 5.000 3.286 2.040 4.829 . 0 0 "[ . 1 . 2]" 1
25 1 2 ASN H 1 2 ASN HD22 . . 5.000 4.090 3.346 5.075 0.075 17 0 "[ . 1 . 2]" 1
26 1 2 ASN H 1 3 LEU H . . 5.000 4.468 4.251 4.577 . 0 0 "[ . 1 . 2]" 1
27 1 2 ASN H 1 3 LEU QD . . 5.000 4.024 3.482 4.606 . 0 0 "[ . 1 . 2]" 1
28 1 2 ASN H 1 56 ASP H . . 5.000 5.156 4.437 5.520 0.520 3 2 "[ + .- 1 . 2]" 1
29 1 2 ASN H 1 56 ASP HA . . 5.000 2.707 2.141 3.169 . 0 0 "[ . 1 . 2]" 1
30 1 2 ASN H 1 56 ASP HB2 . . 5.000 3.566 3.282 4.356 . 0 0 "[ . 1 . 2]" 1
31 1 2 ASN H 1 57 GLY H . . 5.000 3.504 2.442 4.840 . 0 0 "[ . 1 . 2]" 1
32 1 2 ASN HA 1 3 LEU H . . 2.900 2.183 2.158 2.225 . 0 0 "[ . 1 . 2]" 1
33 1 2 ASN HA 1 3 LEU QD . . 5.000 3.850 2.747 4.420 . 0 0 "[ . 1 . 2]" 1
34 1 2 ASN HA 1 11 THR HA . . 3.500 2.163 1.849 2.389 . 0 0 "[ . 1 . 2]" 1
35 1 2 ASN HA 1 11 THR MG . . 5.000 3.339 2.309 4.214 . 0 0 "[ . 1 . 2]" 1
36 1 2 ASN HA 1 12 VAL H . . 5.000 3.387 3.014 3.817 . 0 0 "[ . 1 . 2]" 1
37 1 2 ASN QB 1 3 LEU H . . 3.500 3.287 3.064 3.552 0.052 8 0 "[ . 1 . 2]" 1
38 1 2 ASN QB 1 57 GLY H . . 5.000 3.328 2.143 5.312 0.312 16 0 "[ . 1 . 2]" 1
39 1 2 ASN HD21 1 11 THR MG . . 5.000 4.531 2.851 5.525 0.525 1 2 "[+ . -1 . 2]" 1
40 1 2 ASN HD22 1 11 THR MG . . 5.000 3.756 2.498 4.728 . 0 0 "[ . 1 . 2]" 1
41 1 3 LEU H 1 3 LEU HG . . 5.000 3.388 2.603 4.505 . 0 0 "[ . 1 . 2]" 1
42 1 3 LEU H 1 3 LEU MD1 . . 5.000 3.885 2.273 4.313 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU H 1 3 LEU QD . . 5.000 3.118 2.103 3.684 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU H 1 10 SER H . . 5.000 3.431 2.827 4.106 . 0 0 "[ . 1 . 2]" 1
45 1 3 LEU H 1 10 SER QB . . 5.000 3.906 3.369 4.699 . 0 0 "[ . 1 . 2]" 1
46 1 3 LEU H 1 11 THR HA . . 5.000 2.969 2.191 3.541 . 0 0 "[ . 1 . 2]" 1
47 1 3 LEU H 1 11 THR MG . . 5.000 4.785 3.964 5.225 0.225 14 0 "[ . 1 . 2]" 1
48 1 3 LEU H 1 12 VAL H . . 5.000 3.765 3.018 4.357 . 0 0 "[ . 1 . 2]" 1
49 1 3 LEU HA 1 4 THR H . . 3.500 2.280 2.149 2.595 . 0 0 "[ . 1 . 2]" 1
50 1 3 LEU HA 1 57 GLY H . . 5.000 3.689 3.163 4.494 . 0 0 "[ . 1 . 2]" 1
51 1 3 LEU HA 1 58 ASP H . . 5.000 2.816 2.343 3.363 . 0 0 "[ . 1 . 2]" 1
52 1 3 LEU QB 1 4 THR H . . 5.000 2.867 2.112 3.441 . 0 0 "[ . 1 . 2]" 1
53 1 3 LEU QB 1 5 VAL QG . . 5.000 3.029 2.283 4.651 . 0 0 "[ . 1 . 2]" 1
54 1 3 LEU QB 1 10 SER QB . . 5.000 3.478 2.805 4.331 . 0 0 "[ . 1 . 2]" 1
55 1 3 LEU QB 1 12 VAL QG . . 5.000 3.350 2.638 4.107 . 0 0 "[ . 1 . 2]" 1
56 1 3 LEU QB 1 57 GLY H . . 5.000 5.246 4.607 5.566 0.566 19 5 "[- . 1 .* *+*]" 1
57 1 3 LEU QB 1 58 ASP H . . 5.000 4.332 3.651 4.649 . 0 0 "[ . 1 . 2]" 1
58 1 3 LEU QB 1 60 VAL H . . 3.500 3.397 2.659 3.932 0.432 19 0 "[ . 1 . 2]" 1
59 1 3 LEU QB 1 60 VAL MG1 . . 5.000 2.687 1.784 4.142 . 0 0 "[ . 1 . 2]" 1
60 1 3 LEU HG 1 4 THR H . . 5.000 5.051 4.409 5.450 0.450 7 0 "[ . 1 . 2]" 1
61 1 3 LEU HG 1 12 VAL MG1 . . 5.000 4.438 3.842 5.223 0.223 12 0 "[ . 1 . 2]" 1
62 1 3 LEU HG 1 12 VAL MG2 . . 5.000 3.161 2.240 4.201 . 0 0 "[ . 1 . 2]" 1
63 1 3 LEU HG 1 58 ASP H . . 5.000 4.772 3.804 5.482 0.482 7 0 "[ . 1 . 2]" 1
64 1 3 LEU MD1 1 4 THR H . . 5.000 4.508 3.349 5.284 0.284 2 0 "[ . 1 . 2]" 1
65 1 3 LEU QD 1 4 THR H . . 5.000 3.531 3.240 4.068 . 0 0 "[ . 1 . 2]" 1
66 1 3 LEU QD 1 11 THR HA . . 5.000 4.446 3.002 5.513 0.513 2 1 "[ + . 1 . 2]" 1
67 1 3 LEU QD 1 54 VAL QG . . 5.000 1.950 1.788 2.123 . 0 0 "[ . 1 . 2]" 1
68 1 3 LEU QD 1 56 ASP H . . 5.000 4.478 2.253 5.592 0.592 12 1 "[ . 1 + . 2]" 1
69 1 3 LEU MD1 1 56 ASP HA . . 5.000 4.706 3.137 5.532 0.532 8 1 "[ . + 1 . 2]" 1
70 1 3 LEU MD2 1 56 ASP HA . . 5.000 3.535 2.681 5.085 0.085 12 0 "[ . 1 . 2]" 1
71 1 3 LEU QD 1 57 GLY H . . 5.000 2.933 2.044 4.225 . 0 0 "[ . 1 . 2]" 1
72 1 3 LEU MD1 1 58 ASP H . . 5.000 4.316 2.374 5.257 0.257 19 0 "[ . 1 . 2]" 1
73 1 3 LEU MD2 1 58 ASP H . . 5.000 2.942 1.964 5.011 0.011 7 0 "[ . 1 . 2]" 1
74 1 3 LEU QD 1 58 ASP HB3 . . 5.000 2.630 1.780 4.450 . 0 0 "[ . 1 . 2]" 1
75 1 4 THR H 1 4 THR HB . . 3.500 2.645 2.497 2.954 . 0 0 "[ . 1 . 2]" 1
76 1 4 THR H 1 58 ASP H . . 5.000 3.914 3.093 4.807 . 0 0 "[ . 1 . 2]" 1
77 1 4 THR H 1 59 ALA HA . . 5.000 2.581 1.988 3.059 . 0 0 "[ . 1 . 2]" 1
78 1 4 THR H 1 60 VAL H . . 5.000 3.590 2.794 4.313 . 0 0 "[ . 1 . 2]" 1
79 1 4 THR HA 1 5 VAL H . . 2.900 2.247 2.156 2.384 . 0 0 "[ . 1 . 2]" 1
80 1 4 THR HA 1 10 SER H . . 3.500 2.932 2.296 3.499 . 0 0 "[ . 1 . 2]" 1
81 1 4 THR HB 1 5 VAL H . . 5.000 4.400 4.064 4.484 . 0 0 "[ . 1 . 2]" 1
82 1 4 THR HB 1 7 GLY H . . 5.000 4.576 4.138 5.464 0.464 12 0 "[ . 1 . 2]" 1
83 1 4 THR HB 1 8 LYS H . . 5.000 5.458 5.075 5.551 0.551 6 15 "[*****+ * 1*- *** ***]" 1
84 1 4 THR HB 1 59 ALA HA . . 5.000 2.277 1.796 2.961 0.004 19 0 "[ . 1 . 2]" 1
85 1 4 THR HB 1 59 ALA MB . . 5.000 2.340 2.051 2.910 . 0 0 "[ . 1 . 2]" 1
86 1 4 THR HB 1 60 VAL H . . 5.000 4.263 3.652 5.318 0.318 17 0 "[ . 1 . 2]" 1
87 1 4 THR MG 1 5 VAL H . . 5.000 3.346 2.562 3.763 . 0 0 "[ . 1 . 2]" 1
88 1 4 THR MG 1 6 ASN H . . 5.000 4.314 3.687 4.928 . 0 0 "[ . 1 . 2]" 1
89 1 4 THR MG 1 7 GLY H . . 5.000 2.518 2.131 3.169 . 0 0 "[ . 1 . 2]" 1
90 1 4 THR MG 1 7 GLY HA3 . . 5.000 3.659 3.403 4.293 . 0 0 "[ . 1 . 2]" 1
91 1 4 THR MG 1 8 LYS H . . 5.000 2.975 2.796 3.270 . 0 0 "[ . 1 . 2]" 1
92 1 4 THR MG 1 8 LYS HA . . 5.000 3.625 3.211 4.088 . 0 0 "[ . 1 . 2]" 1
93 1 4 THR MG 1 9 PRO HA . . 5.000 3.206 2.525 3.727 . 0 0 "[ . 1 . 2]" 1
94 1 4 THR MG 1 10 SER H . . 5.000 4.581 3.822 5.067 0.067 14 0 "[ . 1 . 2]" 1
95 1 4 THR MG 1 59 ALA HA . . 5.000 3.696 3.288 4.331 . 0 0 "[ . 1 . 2]" 1
96 1 4 THR MG 1 59 ALA MB . . 5.000 3.024 2.779 3.713 . 0 0 "[ . 1 . 2]" 1
97 1 5 VAL H 1 6 ASN H . . 5.000 4.407 4.157 4.567 . 0 0 "[ . 1 . 2]" 1
98 1 5 VAL H 1 8 LYS H . . 3.500 3.491 2.830 3.856 0.356 2 0 "[ . 1 . 2]" 1
99 1 5 VAL H 1 8 LYS HB3 . . 5.000 4.956 4.236 5.523 0.523 9 1 "[ . +1 . 2]" 1
100 1 5 VAL H 1 10 SER QB . . 5.000 3.493 2.685 4.123 . 0 0 "[ . 1 . 2]" 1
101 1 5 VAL HA 1 6 ASN H . . 3.500 2.163 2.132 2.205 . 0 0 "[ . 1 . 2]" 1
102 1 5 VAL HA 1 60 VAL H . . 5.000 3.620 2.810 4.682 . 0 0 "[ . 1 . 2]" 1
103 1 5 VAL HA 1 60 VAL MG1 . . 5.000 3.507 2.412 5.522 0.522 6 1 "[ .+ 1 . 2]" 1
104 1 5 VAL HA 1 62 PHE H . . 5.000 3.869 3.199 4.990 . 0 0 "[ . 1 . 2]" 1
105 1 5 VAL HB 1 6 ASN H . . 5.000 4.099 3.085 4.380 . 0 0 "[ . 1 . 2]" 1
106 1 5 VAL HB 1 10 SER QB . . 5.000 3.861 2.370 5.410 0.410 13 0 "[ . 1 . 2]" 1
107 1 5 VAL QG 1 6 ASN H . . 5.000 3.005 2.459 3.627 . 0 0 "[ . 1 . 2]" 1
108 1 5 VAL QG 1 8 LYS H . . 5.000 3.831 3.184 4.372 . 0 0 "[ . 1 . 2]" 1
109 1 5 VAL QG 1 10 SER H . . 5.000 3.660 2.797 5.023 0.023 19 0 "[ . 1 . 2]" 1
110 1 5 VAL QG 1 10 SER QB . . 5.000 2.481 1.893 3.210 . 0 0 "[ . 1 . 2]" 1
111 1 6 ASN H 1 7 GLY H . . 5.000 2.706 2.590 2.799 . 0 0 "[ . 1 . 2]" 1
112 1 6 ASN H 1 8 LYS H . . 5.000 4.096 4.015 4.229 . 0 0 "[ . 1 . 2]" 1
113 1 6 ASN H 1 61 GLU HA . . 5.000 2.173 1.797 2.746 0.003 15 0 "[ . 1 . 2]" 1
114 1 6 ASN H 1 61 GLU QG . . 5.000 2.865 1.825 4.705 . 0 0 "[ . 1 . 2]" 1
115 1 6 ASN H 1 62 PHE H . . 5.000 3.345 2.149 3.877 . 0 0 "[ . 1 . 2]" 1
116 1 6 ASN HA 1 7 GLY H . . 3.500 2.976 2.717 3.160 . 0 0 "[ . 1 . 2]" 1
117 1 6 ASN QB 1 7 GLY H . . 5.000 3.776 3.625 3.894 . 0 0 "[ . 1 . 2]" 1
118 1 6 ASN QB 1 8 LYS H . . 5.000 3.421 3.054 3.676 . 0 0 "[ . 1 . 2]" 1
119 1 6 ASN QB 1 8 LYS HG3 . . 5.000 4.245 2.519 5.618 0.618 14 2 "[ . 1 +. -2]" 1
120 1 6 ASN QB 1 8 LYS QD . . 5.000 3.011 2.101 5.213 0.213 8 0 "[ . 1 . 2]" 1
121 1 6 ASN HD21 1 62 PHE H . . 5.000 3.133 2.176 4.560 . 0 0 "[ . 1 . 2]" 1
122 1 6 ASN HD22 1 62 PHE H . . 5.000 2.702 1.783 4.311 0.017 7 0 "[ . 1 . 2]" 1
123 1 6 ASN HD21 1 62 PHE HB3 . . 5.000 4.250 2.889 5.552 0.552 4 3 "[ +. * 1 . - 2]" 1
124 1 6 ASN HD22 1 62 PHE HB3 . . 5.000 3.202 1.945 4.359 . 0 0 "[ . 1 . 2]" 1
125 1 6 ASN HD21 1 62 PHE QD . . 5.000 5.221 4.371 5.631 0.631 20 8 "[ .**- 1 * * ** +]" 1
126 1 6 ASN HD22 1 62 PHE QD . . 5.000 4.299 3.559 5.084 0.084 6 0 "[ . 1 . 2]" 1
127 1 6 ASN HD21 1 63 LEU QD . . 5.000 4.726 2.818 5.540 0.540 8 1 "[ . + 1 . 2]" 1
128 1 6 ASN HD22 1 63 LEU QD . . 5.000 4.174 3.121 5.206 0.206 15 0 "[ . 1 . 2]" 1
129 1 7 GLY H 1 8 LYS H . . 3.500 2.523 2.319 2.735 . 0 0 "[ . 1 . 2]" 1
130 1 7 GLY H 1 61 GLU HG3 . . 5.000 4.727 3.697 5.565 0.565 6 2 "[ .+ 1- . 2]" 1
131 1 7 GLY HA3 1 8 LYS H . . 5.000 3.310 3.174 3.453 . 0 0 "[ . 1 . 2]" 1
132 1 8 LYS H 1 8 LYS HG3 . . 5.000 3.406 2.495 4.152 . 0 0 "[ . 1 . 2]" 1
133 1 8 LYS H 1 9 PRO HD3 . . 5.000 4.530 4.065 5.056 0.056 9 0 "[ . 1 . 2]" 1
134 1 8 LYS HA 1 8 LYS QD . . 5.000 3.447 2.035 4.291 . 0 0 "[ . 1 . 2]" 1
135 1 8 LYS HA 1 9 PRO HG3 . . 5.000 4.295 4.042 4.593 . 0 0 "[ . 1 . 2]" 1
136 1 8 LYS HA 1 9 PRO HD3 . . 5.000 2.113 1.857 2.442 . 0 0 "[ . 1 . 2]" 1
137 1 8 LYS HB3 1 9 PRO HD3 . . 5.000 4.013 3.557 4.521 . 0 0 "[ . 1 . 2]" 1
138 1 8 LYS HG3 1 9 PRO HD3 . . 5.000 4.732 4.019 5.556 0.556 8 2 "[ . + - . 2]" 1
139 1 8 LYS QD 1 9 PRO QD . . 5.000 4.512 2.819 5.376 0.376 4 0 "[ . 1 . 2]" 1
140 1 9 PRO HA 1 10 SER H . . 2.900 2.224 2.141 2.542 . 0 0 "[ . 1 . 2]" 1
141 1 9 PRO HA 1 10 SER QB . . 5.000 4.317 4.023 4.612 . 0 0 "[ . 1 . 2]" 1
142 1 9 PRO HB3 1 10 SER H . . 5.000 4.037 3.175 4.635 . 0 0 "[ . 1 . 2]" 1
143 1 10 SER H 1 10 SER QB . . 3.500 2.620 2.363 3.141 . 0 0 "[ . 1 . 2]" 1
144 1 10 SER HA 1 11 THR H . . 3.500 2.335 2.131 2.681 . 0 0 "[ . 1 . 2]" 1
145 1 10 SER HA 1 11 THR HB . . 5.000 4.604 4.380 4.754 . 0 0 "[ . 1 . 2]" 1
146 1 10 SER QB 1 11 THR H . . 3.500 3.380 2.448 3.961 0.461 17 0 "[ . 1 . 2]" 1
147 1 11 THR H 1 11 THR HB . . 3.500 2.821 2.487 3.554 0.054 7 0 "[ . 1 . 2]" 1
148 1 11 THR H 1 12 VAL MG1 . . 5.000 4.391 3.845 4.816 . 0 0 "[ . 1 . 2]" 1
149 1 11 THR H 1 12 VAL MG2 . . 5.000 5.360 5.110 5.593 0.593 10 4 "[* . - + * 2]" 1
150 1 11 THR HA 1 12 VAL H . . 2.900 2.196 2.134 2.324 . 0 0 "[ . 1 . 2]" 1
151 1 11 THR HA 1 12 VAL HA . . 5.000 4.435 4.394 4.485 . 0 0 "[ . 1 . 2]" 1
152 1 11 THR HA 1 12 VAL QG . . 5.000 3.451 3.324 3.612 . 0 0 "[ . 1 . 2]" 1
153 1 11 THR HB 1 12 VAL H . . 5.000 4.348 4.054 4.506 . 0 0 "[ . 1 . 2]" 1
154 1 11 THR MG 1 12 VAL H . . 5.000 3.378 2.907 4.106 . 0 0 "[ . 1 . 2]" 1
155 1 11 THR MG 1 12 VAL HA . . 5.000 3.939 3.674 4.281 . 0 0 "[ . 1 . 2]" 1
156 1 11 THR MG 1 13 ASP H . . 5.000 3.846 2.747 4.540 . 0 0 "[ . 1 . 2]" 1
157 1 11 THR MG 1 13 ASP HA . . 5.000 4.026 3.162 5.457 0.457 7 0 "[ . 1 . 2]" 1
158 1 12 VAL H 1 13 ASP H . . 5.000 4.297 3.869 4.550 . 0 0 "[ . 1 . 2]" 1
159 1 12 VAL HA 1 13 ASP H . . 2.900 2.170 2.114 2.316 . 0 0 "[ . 1 . 2]" 1
160 1 12 VAL HA 1 13 ASP HB3 . . 5.000 4.703 4.525 5.222 0.222 4 0 "[ . 1 . 2]" 1
161 1 12 VAL HB 1 13 ASP H . . 5.000 3.593 3.100 4.143 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL MG1 1 13 ASP H . . 5.000 4.021 3.829 4.251 . 0 0 "[ . 1 . 2]" 1
163 1 12 VAL QG 1 13 ASP H . . 5.000 3.639 3.470 3.779 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL MG1 1 15 ALA MB . . 5.000 4.500 3.808 5.539 0.539 19 4 "[ - . ** . +2]" 1
165 1 12 VAL MG2 1 15 ALA MB . . 5.000 2.631 1.938 4.226 . 0 0 "[ . 1 . 2]" 1
166 1 13 ASP H 1 13 ASP HB3 . . 3.500 2.639 2.418 3.583 0.083 9 0 "[ . 1 . 2]" 1
167 1 13 ASP H 1 14 GLY H . . 5.000 4.589 4.432 4.651 . 0 0 "[ . 1 . 2]" 1
168 1 13 ASP HA 1 14 GLY H . . 2.900 2.341 2.139 2.671 . 0 0 "[ . 1 . 2]" 1
169 1 13 ASP HA 1 14 GLY QA . . 5.000 4.033 3.912 4.165 . 0 0 "[ . 1 . 2]" 1
170 1 13 ASP HA 1 15 ALA H . . 5.000 3.701 2.926 5.552 0.552 1 1 "[+ . 1 . 2]" 1
171 1 13 ASP HB3 1 14 GLY H . . 5.000 3.727 2.859 4.341 . 0 0 "[ . 1 . 2]" 1
172 1 14 GLY H 1 15 ALA H . . 5.000 2.913 2.098 4.350 . 0 0 "[ . 1 . 2]" 1
173 1 14 GLY HA3 1 15 ALA H . . 5.000 3.041 2.162 3.523 . 0 0 "[ . 1 . 2]" 1
174 1 15 ALA H 1 16 GLU H . . 5.000 4.242 3.414 4.615 . 0 0 "[ . 1 . 2]" 1
175 1 15 ALA HA 1 16 GLU H . . 5.000 2.197 2.142 2.419 . 0 0 "[ . 1 . 2]" 1
176 1 15 ALA HA 1 16 GLU HA . . 5.000 4.436 4.309 4.480 . 0 0 "[ . 1 . 2]" 1
177 1 15 ALA HA 1 17 SER H . . 5.000 4.487 3.581 5.581 0.581 7 1 "[ . + 1 . 2]" 1
178 1 15 ALA MB 1 16 GLU H . . 5.000 3.230 2.346 3.553 . 0 0 "[ . 1 . 2]" 1
179 1 15 ALA MB 1 16 GLU HA . . 5.000 4.297 3.974 4.540 . 0 0 "[ . 1 . 2]" 1
180 1 15 ALA MB 1 17 SER H . . 5.000 4.151 3.158 4.778 . 0 0 "[ . 1 . 2]" 1
181 1 15 ALA MB 1 18 LEU MD1 . . 5.000 3.087 2.020 4.780 . 0 0 "[ . 1 . 2]" 1
182 1 15 ALA MB 1 18 LEU MD2 . . 5.000 2.767 1.904 4.402 . 0 0 "[ . 1 . 2]" 1
183 1 16 GLU H 1 17 SER H . . 3.500 2.892 1.930 3.951 0.451 1 0 "[ . 1 . 2]" 1
184 1 16 GLU HA 1 17 SER H . . 5.000 3.174 2.144 3.596 . 0 0 "[ . 1 . 2]" 1
185 1 16 GLU HB3 1 17 SER H . . 5.000 3.558 2.045 4.587 . 0 0 "[ . 1 . 2]" 1
186 1 16 GLU QG 1 17 SER H . . 5.000 3.510 1.906 4.465 . 0 0 "[ . 1 . 2]" 1
187 1 17 SER H 1 18 LEU H . . 5.000 3.892 2.760 4.287 . 0 0 "[ . 1 . 2]" 1
188 1 17 SER H 1 18 LEU QB . . 5.000 4.725 3.893 5.408 0.408 9 0 "[ . 1 . 2]" 1
189 1 17 SER H 1 18 LEU HG . . 5.000 3.871 3.053 4.321 . 0 0 "[ . 1 . 2]" 1
190 1 17 SER H 1 18 LEU MD1 . . 5.000 5.083 4.372 5.528 0.528 15 1 "[ . 1 + 2]" 1
191 1 17 SER H 1 18 LEU MD2 . . 5.000 4.467 3.508 5.213 0.213 7 0 "[ . 1 . 2]" 1
192 1 17 SER HA 1 18 LEU H . . 3.500 2.234 2.134 3.022 . 0 0 "[ . 1 . 2]" 1
193 1 17 SER QB 1 18 LEU H . . 3.500 3.405 2.776 3.883 0.383 6 0 "[ . 1 . 2]" 1
194 1 17 SER QB 1 53 THR MG . . 5.000 3.521 2.189 4.697 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU H 1 18 LEU MD1 . . 5.000 3.157 2.332 4.238 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU H 1 18 LEU QD . . 5.000 2.921 2.322 3.652 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU H 1 53 THR MG . . 5.000 4.154 2.710 5.483 0.483 2 0 "[ . 1 . 2]" 1
198 1 18 LEU H 1 54 VAL H . . 5.000 3.720 3.351 4.412 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU H 1 54 VAL HB . . 5.000 3.791 3.160 4.760 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU H 1 54 VAL QG . . 5.000 4.204 3.861 4.963 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU HA 1 19 ASN H . . 2.900 2.337 2.177 2.543 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU HA 1 22 GLU QB . . 5.000 3.805 2.992 4.503 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU HB2 1 19 ASN H . . 5.000 3.047 2.225 4.214 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU QB 1 22 GLU H . . 5.000 4.148 3.924 4.417 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU HB2 1 22 GLU QB . . 5.000 2.461 1.745 3.648 . 0 0 "[ . 1 . 2]" 1
206 1 18 LEU QB 1 22 GLU QG . . 5.000 3.241 2.361 4.008 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU HB2 1 23 LEU H . . 5.000 4.044 3.734 4.836 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU QB 1 54 VAL HB . . 5.000 4.701 3.377 5.587 0.587 5 3 "[ + * - . 2]" 1
209 1 18 LEU HG 1 19 ASN H . . 5.000 4.982 4.726 5.193 0.193 1 0 "[ . 1 . 2]" 1
210 1 18 LEU QD 1 19 ASN H . . 5.000 3.445 3.189 3.662 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU MD2 1 19 ASN H . . 5.000 4.188 3.287 4.780 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU MD1 1 22 GLU QB . . 5.000 2.636 2.078 3.177 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU MD2 1 22 GLU QB . . 5.000 2.450 2.088 2.935 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU QD 1 22 GLU QG . . 5.000 3.381 2.269 4.204 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU MD1 1 23 LEU H . . 5.000 3.122 2.113 4.636 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU MD2 1 23 LEU H . . 5.000 4.228 3.500 5.370 0.370 9 0 "[ . 1 . 2]" 1
217 1 18 LEU MD1 1 23 LEU HA . . 5.000 3.002 2.431 3.807 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU MD2 1 23 LEU HA . . 5.000 3.892 2.628 5.587 0.587 3 3 "[ + . 1 -. *]" 1
219 1 18 LEU QD 1 23 LEU HB3 . . 5.000 4.091 3.197 5.527 0.527 9 1 "[ . +1 . 2]" 1
220 1 18 LEU QD 1 23 LEU HG . . 5.000 3.996 2.698 4.695 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU QD 1 26 ALA MB . . 5.000 2.966 2.436 3.577 . 0 0 "[ . 1 . 2]" 1
222 1 19 ASN H 1 19 ASN HD21 . . 5.000 3.981 2.237 4.560 . 0 0 "[ . 1 . 2]" 1
223 1 19 ASN H 1 19 ASN HD22 . . 5.000 4.061 3.072 4.485 . 0 0 "[ . 1 . 2]" 1
224 1 19 ASN H 1 20 VAL H . . 5.000 4.642 4.558 4.693 . 0 0 "[ . 1 . 2]" 1
225 1 19 ASN H 1 22 GLU HB3 . . 5.000 4.221 2.982 5.101 0.101 12 0 "[ . 1 . 2]" 1
226 1 19 ASN H 1 22 GLU QG . . 5.000 3.161 2.180 4.152 . 0 0 "[ . 1 . 2]" 1
227 1 19 ASN H 1 23 LEU H . . 5.000 4.703 4.250 5.268 0.268 14 0 "[ . 1 . 2]" 1
228 1 19 ASN H 1 53 THR HA . . 5.000 4.110 3.632 5.077 0.077 2 0 "[ . 1 . 2]" 1
229 1 19 ASN H 1 53 THR MG . . 5.000 3.877 3.339 5.540 0.540 2 1 "[ + . 1 . 2]" 1
230 1 19 ASN H 1 54 VAL H . . 5.000 4.544 4.160 4.750 . 0 0 "[ . 1 . 2]" 1
231 1 19 ASN HA 1 19 ASN HD22 . . 5.000 5.019 4.609 5.377 0.377 13 0 "[ . 1 . 2]" 1
232 1 19 ASN HA 1 20 VAL H . . 3.500 2.428 2.325 2.549 . 0 0 "[ . 1 . 2]" 1
233 1 19 ASN HA 1 20 VAL QG . . 5.000 3.648 3.508 3.753 . 0 0 "[ . 1 . 2]" 1
234 1 19 ASN HA 1 21 THR H . . 5.000 4.433 4.218 4.652 . 0 0 "[ . 1 . 2]" 1
235 1 19 ASN HA 1 53 THR HA . . 3.500 1.961 1.746 2.935 0.054 15 0 "[ . 1 . 2]" 1
236 1 19 ASN HA 1 53 THR MG . . 5.000 3.349 2.673 4.392 . 0 0 "[ . 1 . 2]" 1
237 1 19 ASN HA 1 54 VAL H . . 5.000 2.722 2.032 3.108 . 0 0 "[ . 1 . 2]" 1
238 1 19 ASN HA 1 54 VAL HB . . 5.000 4.610 3.830 5.094 0.094 6 0 "[ . 1 . 2]" 1
239 1 19 ASN HA 1 54 VAL QG . . 5.000 3.416 2.847 3.878 . 0 0 "[ . 1 . 2]" 1
240 1 19 ASN HB3 1 20 VAL H . . 5.000 3.234 2.462 3.864 . 0 0 "[ . 1 . 2]" 1
241 1 19 ASN HB3 1 21 THR H . . 5.000 3.913 2.778 4.961 . 0 0 "[ . 1 . 2]" 1
242 1 19 ASN QB 1 22 GLU H . . 5.000 3.213 2.008 4.371 . 0 0 "[ . 1 . 2]" 1
243 1 19 ASN QB 1 50 ASP HA . . 5.000 2.547 1.834 3.465 . 0 0 "[ . 1 . 2]" 1
244 1 19 ASN HB3 1 52 THR H . . 5.000 4.473 3.642 5.514 0.514 1 1 "[+ . 1 . 2]" 1
245 1 19 ASN HB3 1 53 THR HA . . 5.000 3.628 2.679 4.497 . 0 0 "[ . 1 . 2]" 1
246 1 19 ASN HD21 1 21 THR HB . . 5.000 3.554 1.981 5.148 0.148 19 0 "[ . 1 . 2]" 1
247 1 19 ASN HD22 1 21 THR HB . . 5.000 3.881 1.862 5.573 0.573 6 4 "[ **+ -1 . 2]" 1
248 1 19 ASN HD21 1 22 GLU H . . 5.000 4.114 2.691 4.943 . 0 0 "[ . 1 . 2]" 1
249 1 19 ASN HD22 1 22 GLU H . . 5.000 4.386 2.739 5.628 0.628 16 9 "[ **- ** .+** *]" 1
250 1 19 ASN HD21 1 22 GLU QG . . 5.000 3.871 2.621 5.495 0.495 4 0 "[ . 1 . 2]" 1
251 1 19 ASN HD22 1 22 GLU QG . . 5.000 3.530 1.892 5.444 0.444 4 0 "[ . 1 . 2]" 1
252 1 19 ASN HD21 1 50 ASP HA . . 5.000 2.691 1.817 4.230 . 0 0 "[ . 1 . 2]" 1
253 1 19 ASN HD22 1 50 ASP HA . . 5.000 3.740 2.541 4.845 . 0 0 "[ . 1 . 2]" 1
254 1 20 VAL H 1 21 THR H . . 3.500 2.810 2.665 3.035 . 0 0 "[ . 1 . 2]" 1
255 1 20 VAL H 1 23 LEU H . . 5.000 4.747 4.548 4.991 . 0 0 "[ . 1 . 2]" 1
256 1 20 VAL H 1 49 PHE HA . . 5.000 3.891 3.535 4.578 . 0 0 "[ . 1 . 2]" 1
257 1 20 VAL H 1 52 THR HB . . 5.000 3.578 3.307 4.293 . 0 0 "[ . 1 . 2]" 1
258 1 20 VAL H 1 52 THR MG . . 5.000 4.041 3.622 4.437 . 0 0 "[ . 1 . 2]" 1
259 1 20 VAL H 1 53 THR HA . . 5.000 3.775 3.491 4.864 . 0 0 "[ . 1 . 2]" 1
260 1 20 VAL H 1 54 VAL QG . . 5.000 3.195 2.916 3.610 . 0 0 "[ . 1 . 2]" 1
261 1 20 VAL HA 1 21 THR H . . 5.000 3.551 3.517 3.578 . 0 0 "[ . 1 . 2]" 1
262 1 20 VAL HA 1 22 GLU H . . 5.000 4.481 4.268 4.802 . 0 0 "[ . 1 . 2]" 1
263 1 20 VAL HA 1 23 LEU H . . 5.000 3.289 3.084 3.595 . 0 0 "[ . 1 . 2]" 1
264 1 20 VAL HA 1 23 LEU HB3 . . 5.000 2.692 2.288 4.136 . 0 0 "[ . 1 . 2]" 1
265 1 20 VAL HA 1 23 LEU QD . . 5.000 3.035 2.219 3.785 . 0 0 "[ . 1 . 2]" 1
266 1 20 VAL HA 1 24 LEU H . . 5.000 4.057 3.735 4.391 . 0 0 "[ . 1 . 2]" 1
267 1 20 VAL HA 1 54 VAL MG1 . . 5.000 4.863 4.436 5.284 0.284 13 0 "[ . 1 . 2]" 1
268 1 20 VAL HA 1 54 VAL MG2 . . 5.000 2.804 2.336 3.258 . 0 0 "[ . 1 . 2]" 1
269 1 20 VAL HB 1 21 THR H . . 5.000 2.684 2.518 2.900 . 0 0 "[ . 1 . 2]" 1
270 1 20 VAL HB 1 49 PHE H . . 5.000 4.689 4.494 5.023 0.023 8 0 "[ . 1 . 2]" 1
271 1 20 VAL HB 1 49 PHE HA . . 5.000 2.107 1.747 2.460 0.053 18 0 "[ . 1 . 2]" 1
272 1 20 VAL HB 1 49 PHE QD . . 5.000 3.009 2.632 3.655 . 0 0 "[ . 1 . 2]" 1
273 1 20 VAL HB 1 52 THR HB . . 5.000 3.839 3.375 4.714 . 0 0 "[ . 1 . 2]" 1
274 1 20 VAL HB 1 52 THR MG . . 5.000 4.722 4.305 5.396 0.396 3 0 "[ . 1 . 2]" 1
275 1 20 VAL MG1 1 21 THR H . . 5.000 3.572 3.460 3.861 . 0 0 "[ . 1 . 2]" 1
276 1 20 VAL MG2 1 21 THR H . . 5.000 3.814 3.738 3.902 . 0 0 "[ . 1 . 2]" 1
277 1 20 VAL QG 1 21 THR HA . . 5.000 3.644 3.445 3.902 . 0 0 "[ . 1 . 2]" 1
278 1 20 VAL QG 1 23 LEU H . . 5.000 4.245 4.090 4.513 . 0 0 "[ . 1 . 2]" 1
279 1 20 VAL QG 1 24 LEU H . . 5.000 3.736 3.452 4.059 . 0 0 "[ . 1 . 2]" 1
280 1 20 VAL QG 1 24 LEU HG . . 5.000 3.429 2.306 5.588 0.588 6 2 "[ .+ - . 2]" 1
281 1 20 VAL QG 1 24 LEU MD1 . . 5.000 3.296 2.574 4.401 . 0 0 "[ . 1 . 2]" 1
282 1 20 VAL QG 1 24 LEU MD2 . . 5.000 3.013 1.907 5.225 0.225 15 0 "[ . 1 . 2]" 1
283 1 20 VAL QG 1 35 VAL MG1 . . 5.000 4.196 3.401 5.093 0.093 10 0 "[ . 1 . 2]" 1
284 1 20 VAL QG 1 35 VAL MG2 . . 5.000 4.822 3.568 5.580 0.580 7 3 "[ . + -* . 2]" 1
285 1 20 VAL QG 1 37 VAL MG2 . . 5.000 2.375 1.923 3.141 . 0 0 "[ . 1 . 2]" 1
286 1 20 VAL QG 1 44 LEU HG . . 5.000 3.269 1.993 4.310 . 0 0 "[ . 1 . 2]" 1
287 1 20 VAL MG1 1 49 PHE H . . 5.000 5.080 4.709 5.369 0.369 3 0 "[ . 1 . 2]" 1
288 1 20 VAL MG2 1 49 PHE H . . 5.000 5.067 4.690 5.389 0.389 20 0 "[ . 1 . 2]" 1
289 1 20 VAL MG1 1 49 PHE HA . . 5.000 3.218 2.848 3.519 . 0 0 "[ . 1 . 2]" 1
290 1 20 VAL MG2 1 49 PHE HA . . 5.000 2.785 2.413 3.074 . 0 0 "[ . 1 . 2]" 1
291 1 20 VAL MG1 1 49 PHE HB3 . . 5.000 2.958 2.616 3.511 . 0 0 "[ . 1 . 2]" 1
292 1 20 VAL MG2 1 49 PHE HB3 . . 5.000 4.011 3.507 4.758 . 0 0 "[ . 1 . 2]" 1
293 1 20 VAL MG1 1 49 PHE QD . . 5.000 2.489 1.804 3.367 . 0 0 "[ . 1 . 2]" 1
294 1 20 VAL QG 1 49 PHE QD . . 5.000 2.365 1.795 3.013 . 0 0 "[ . 1 . 2]" 1
295 1 20 VAL MG1 1 49 PHE QE . . 5.000 3.360 2.829 3.845 . 0 0 "[ . 1 . 2]" 1
296 1 20 VAL MG2 1 49 PHE QE . . 5.000 4.572 4.124 5.089 0.089 18 0 "[ . 1 . 2]" 1
297 1 20 VAL QG 1 52 THR H . . 5.000 3.788 3.606 4.040 . 0 0 "[ . 1 . 2]" 1
298 1 20 VAL QG 1 52 THR HB . . 5.000 2.190 1.946 2.713 . 0 0 "[ . 1 . 2]" 1
299 1 20 VAL QG 1 52 THR MG . . 5.000 2.520 2.159 3.054 . 0 0 "[ . 1 . 2]" 1
300 1 20 VAL QG 1 53 THR H . . 5.000 4.763 4.515 5.322 0.322 3 0 "[ . 1 . 2]" 1
301 1 20 VAL QG 1 53 THR HA . . 5.000 4.199 3.670 4.920 . 0 0 "[ . 1 . 2]" 1
302 1 21 THR H 1 21 THR HB . . 3.500 2.649 2.531 2.794 . 0 0 "[ . 1 . 2]" 1
303 1 21 THR H 1 22 GLU H . . 5.000 2.872 2.759 2.984 . 0 0 "[ . 1 . 2]" 1
304 1 21 THR H 1 22 GLU QB . . 5.000 4.821 4.482 5.133 0.133 14 0 "[ . 1 . 2]" 1
305 1 21 THR H 1 49 PHE HA . . 5.000 3.879 3.318 4.420 . 0 0 "[ . 1 . 2]" 1
306 1 21 THR H 1 49 PHE HB3 . . 5.000 2.783 2.380 3.411 . 0 0 "[ . 1 . 2]" 1
307 1 21 THR H 1 49 PHE QD . . 5.000 4.625 3.783 5.278 0.278 8 0 "[ . 1 . 2]" 1
308 1 21 THR H 1 50 ASP HA . . 5.000 3.353 2.843 3.951 . 0 0 "[ . 1 . 2]" 1
309 1 21 THR HA 1 22 GLU H . . 5.000 3.576 3.554 3.598 . 0 0 "[ . 1 . 2]" 1
310 1 21 THR HA 1 23 LEU H . . 5.000 4.472 4.238 4.739 . 0 0 "[ . 1 . 2]" 1
311 1 21 THR HA 1 24 LEU H . . 5.000 3.604 3.257 3.906 . 0 0 "[ . 1 . 2]" 1
312 1 21 THR HA 1 24 LEU HB3 . . 5.000 4.231 2.410 4.983 . 0 0 "[ . 1 . 2]" 1
313 1 21 THR HA 1 24 LEU HG . . 5.000 3.661 2.376 5.495 0.495 7 0 "[ . 1 . 2]" 1
314 1 21 THR HA 1 24 LEU QD . . 5.000 2.621 1.966 3.629 . 0 0 "[ . 1 . 2]" 1
315 1 21 THR HA 1 25 SER H . . 5.000 4.427 3.940 5.052 0.052 8 0 "[ . 1 . 2]" 1
316 1 21 THR HA 1 49 PHE QD . . 5.000 4.226 2.552 5.130 0.130 4 0 "[ . 1 . 2]" 1
317 1 21 THR HB 1 22 GLU H . . 3.500 2.473 2.237 2.650 . 0 0 "[ . 1 . 2]" 1
318 1 21 THR HB 1 22 GLU QG . . 5.000 3.516 2.850 5.092 0.092 4 0 "[ . 1 . 2]" 1
319 1 21 THR MG 1 22 GLU H . . 5.000 3.415 3.252 3.632 . 0 0 "[ . 1 . 2]" 1
320 1 21 THR MG 1 22 GLU HA . . 5.000 3.534 3.390 3.804 . 0 0 "[ . 1 . 2]" 1
321 1 21 THR MG 1 22 GLU QG . . 5.000 3.865 3.487 4.646 . 0 0 "[ . 1 . 2]" 1
322 1 21 THR MG 1 25 SER QB . . 5.000 3.844 3.135 4.678 . 0 0 "[ . 1 . 2]" 1
323 1 21 THR MG 1 49 PHE QD . . 5.000 4.688 4.046 5.530 0.530 13 2 "[ - . 1 + . 2]" 1
324 1 21 THR MG 1 50 ASP QB . . 5.000 4.235 3.027 5.148 0.148 2 0 "[ . 1 . 2]" 1
325 1 22 GLU H 1 22 GLU HB3 . . 3.500 3.559 3.072 3.632 0.132 7 0 "[ . 1 . 2]" 1
326 1 22 GLU H 1 22 GLU HG3 . . 5.000 3.290 2.096 4.438 . 0 0 "[ . 1 . 2]" 1
327 1 22 GLU H 1 23 LEU H . . 2.900 2.660 2.459 2.761 . 0 0 "[ . 1 . 2]" 1
328 1 22 GLU H 1 25 SER QB . . 5.000 4.807 4.307 5.508 0.508 1 1 "[+ . 1 . 2]" 1
329 1 22 GLU HA 1 23 LEU H . . 5.000 3.536 3.511 3.571 . 0 0 "[ . 1 . 2]" 1
330 1 22 GLU HA 1 25 SER H . . 5.000 3.195 2.881 3.512 . 0 0 "[ . 1 . 2]" 1
331 1 22 GLU HA 1 26 ALA H . . 5.000 4.137 3.807 4.468 . 0 0 "[ . 1 . 2]" 1
332 1 22 GLU HB3 1 23 LEU H . . 5.000 3.627 2.806 3.930 . 0 0 "[ . 1 . 2]" 1
333 1 22 GLU QB 1 25 SER QB . . 5.000 3.884 3.316 5.043 0.043 1 0 "[ . 1 . 2]" 1
334 1 22 GLU QG 1 23 LEU H . . 5.000 4.211 3.624 4.636 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU H 1 23 LEU HG . . 5.000 4.259 2.309 4.573 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU H 1 23 LEU MD1 . . 5.000 4.107 3.727 4.272 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU H 1 23 LEU MD2 . . 5.000 4.154 3.173 4.320 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU H 1 24 LEU H . . 5.000 2.785 2.600 2.986 . 0 0 "[ . 1 . 2]" 1
339 1 23 LEU HA 1 24 LEU H . . 5.000 3.562 3.526 3.588 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU HA 1 25 SER H . . 5.000 4.304 3.970 4.544 . 0 0 "[ . 1 . 2]" 1
341 1 23 LEU HA 1 26 ALA H . . 5.000 3.328 2.978 3.690 . 0 0 "[ . 1 . 2]" 1
342 1 23 LEU HA 1 26 ALA MB . . 5.000 2.631 2.291 3.174 . 0 0 "[ . 1 . 2]" 1
343 1 23 LEU HA 1 27 LEU H . . 5.000 4.245 3.639 5.071 0.071 13 0 "[ . 1 . 2]" 1
344 1 23 LEU HB3 1 24 LEU H . . 5.000 2.561 2.256 3.717 . 0 0 "[ . 1 . 2]" 1
345 1 23 LEU QB 1 54 VAL HB . . 5.000 3.885 3.015 5.522 0.522 20 1 "[ . 1 . +]" 1
346 1 23 LEU HB3 1 54 VAL MG1 . . 5.000 5.132 4.547 5.511 0.511 15 3 "[ . *1 - + 2]" 1
347 1 23 LEU HB3 1 54 VAL MG2 . . 5.000 4.028 3.250 4.883 . 0 0 "[ . 1 . 2]" 1
348 1 23 LEU HG 1 24 LEU H . . 5.000 4.274 3.426 4.950 . 0 0 "[ . 1 . 2]" 1
349 1 24 LEU H 1 24 LEU HG . . 5.000 2.886 2.015 4.521 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU H 1 24 LEU MD1 . . 5.000 3.684 3.457 4.183 . 0 0 "[ . 1 . 2]" 1
351 1 24 LEU H 1 24 LEU MD2 . . 5.000 3.226 1.974 4.259 . 0 0 "[ . 1 . 2]" 1
352 1 24 LEU H 1 25 SER H . . 3.500 2.721 2.607 2.836 . 0 0 "[ . 1 . 2]" 1
353 1 24 LEU H 1 25 SER QB . . 5.000 4.571 4.371 4.938 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU H 1 26 ALA MB . . 5.000 4.852 4.631 5.146 0.146 5 0 "[ . 1 . 2]" 1
355 1 24 LEU HA 1 25 SER H . . 5.000 3.530 3.483 3.561 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU HA 1 26 ALA H . . 5.000 4.365 4.063 4.829 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU HA 1 27 LEU H . . 5.000 3.617 3.147 3.972 . 0 0 "[ . 1 . 2]" 1
358 1 24 LEU HA 1 27 LEU QB . . 5.000 3.163 2.353 4.930 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU HA 1 29 VAL H . . 5.000 4.159 2.943 5.472 0.472 10 0 "[ . 1 . 2]" 1
360 1 24 LEU HA 1 29 VAL HB . . 5.000 4.082 2.719 5.505 0.505 18 1 "[ . 1 . + 2]" 1
361 1 24 LEU HA 1 62 PHE QE . . 5.000 4.349 2.904 5.500 0.500 20 0 "[ . 1 . 2]" 1
362 1 24 LEU HB3 1 25 SER H . . 5.000 3.485 2.439 4.176 . 0 0 "[ . 1 . 2]" 1
363 1 24 LEU QB 1 25 SER QB . . 5.000 4.100 3.810 4.916 . 0 0 "[ . 1 . 2]" 1
364 1 24 LEU QB 1 32 ALA MB . . 5.000 3.432 1.935 4.861 . 0 0 "[ . 1 . 2]" 1
365 1 24 LEU HG 1 25 SER H . . 5.000 4.319 2.673 5.286 0.286 18 0 "[ . 1 . 2]" 1
366 1 24 LEU MD1 1 25 SER H . . 5.000 4.476 2.415 4.757 . 0 0 "[ . 1 . 2]" 1
367 1 24 LEU MD2 1 25 SER H . . 5.000 4.434 3.266 4.711 . 0 0 "[ . 1 . 2]" 1
368 1 24 LEU QD 1 29 VAL H . . 5.000 4.043 2.552 4.635 . 0 0 "[ . 1 . 2]" 1
369 1 24 LEU QD 1 29 VAL MG1 . . 5.000 2.417 1.798 3.245 . 0 0 "[ . 1 . 2]" 1
370 1 24 LEU QD 1 32 ALA HA . . 5.000 2.537 1.840 3.789 . 0 0 "[ . 1 . 2]" 1
371 1 24 LEU MD1 1 32 ALA MB . . 5.000 2.879 1.823 4.633 . 0 0 "[ . 1 . 2]" 1
372 1 24 LEU MD2 1 32 ALA MB . . 5.000 3.751 2.085 5.387 0.387 1 0 "[ . 1 . 2]" 1
373 1 24 LEU MD1 1 49 PHE QD . . 5.000 3.870 2.300 5.567 0.567 7 3 "[ * . + 1 -. 2]" 1
374 1 24 LEU QD 1 49 PHE QD . . 5.000 3.233 2.269 4.069 . 0 0 "[ . 1 . 2]" 1
375 1 24 LEU MD1 1 49 PHE QE . . 5.000 4.105 2.679 5.526 0.526 19 1 "[ . 1 . +2]" 1
376 1 24 LEU MD2 1 49 PHE QE . . 5.000 4.410 2.877 5.534 0.534 4 1 "[ +. 1 . 2]" 1
377 1 25 SER H 1 25 SER QB . . 2.900 2.330 2.246 2.581 . 0 0 "[ . 1 . 2]" 1
378 1 25 SER H 1 26 ALA H . . 3.500 2.632 2.477 2.875 . 0 0 "[ . 1 . 2]" 1
379 1 25 SER H 1 26 ALA MB . . 5.000 4.311 4.187 4.523 . 0 0 "[ . 1 . 2]" 1
380 1 25 SER H 1 27 LEU H . . 5.000 4.249 3.929 4.537 . 0 0 "[ . 1 . 2]" 1
381 1 25 SER HA 1 26 ALA H . . 5.000 3.528 3.429 3.577 . 0 0 "[ . 1 . 2]" 1
382 1 25 SER HA 1 28 LYS H . . 5.000 3.319 2.951 3.793 . 0 0 "[ . 1 . 2]" 1
383 1 25 SER HA 1 28 LYS HA . . 5.000 3.192 2.492 3.701 . 0 0 "[ . 1 . 2]" 1
384 1 25 SER HA 1 29 VAL H . . 5.000 4.021 3.150 4.989 . 0 0 "[ . 1 . 2]" 1
385 1 25 SER QB 1 26 ALA H . . 3.500 2.738 2.271 3.429 . 0 0 "[ . 1 . 2]" 1
386 1 25 SER QB 1 26 ALA HA . . 5.000 4.200 3.794 4.436 . 0 0 "[ . 1 . 2]" 1
387 1 25 SER QB 1 26 ALA MB . . 5.000 3.981 3.537 4.621 . 0 0 "[ . 1 . 2]" 1
388 1 26 ALA H 1 27 LEU H . . 3.500 2.692 2.551 2.890 . 0 0 "[ . 1 . 2]" 1
389 1 26 ALA H 1 27 LEU QB . . 5.000 4.653 4.261 5.189 0.189 15 0 "[ . 1 . 2]" 1
390 1 26 ALA H 1 28 LYS H . . 5.000 3.749 3.531 3.990 . 0 0 "[ . 1 . 2]" 1
391 1 26 ALA HA 1 27 LEU H . . 5.000 3.549 3.485 3.574 . 0 0 "[ . 1 . 2]" 1
392 1 26 ALA HA 1 28 LYS H . . 5.000 4.075 3.574 4.371 . 0 0 "[ . 1 . 2]" 1
393 1 26 ALA MB 1 27 LEU H . . 5.000 2.523 2.373 2.802 . 0 0 "[ . 1 . 2]" 1
394 1 26 ALA MB 1 28 LYS H . . 5.000 4.245 4.065 4.508 . 0 0 "[ . 1 . 2]" 1
395 1 27 LEU H 1 27 LEU QB . . 3.500 2.364 2.186 2.833 . 0 0 "[ . 1 . 2]" 1
396 1 27 LEU H 1 27 LEU HG . . 5.000 3.527 1.864 4.587 . 0 0 "[ . 1 . 2]" 1
397 1 27 LEU H 1 27 LEU QD . . 5.000 3.006 2.006 3.781 . 0 0 "[ . 1 . 2]" 1
398 1 27 LEU H 1 27 LEU MD2 . . 5.000 3.661 2.133 4.282 . 0 0 "[ . 1 . 2]" 1
399 1 27 LEU H 1 28 LYS H . . 3.500 2.435 2.210 2.572 . 0 0 "[ . 1 . 2]" 1
400 1 27 LEU H 1 28 LYS HA . . 5.000 4.654 4.416 4.796 . 0 0 "[ . 1 . 2]" 1
401 1 27 LEU H 1 29 VAL H . . 5.000 4.735 3.728 5.498 0.498 10 0 "[ . 1 . 2]" 1
402 1 27 LEU HA 1 28 LYS H . . 5.000 3.401 3.229 3.511 . 0 0 "[ . 1 . 2]" 1
403 1 27 LEU QB 1 28 LYS H . . 5.000 3.067 2.722 3.685 . 0 0 "[ . 1 . 2]" 1
404 1 27 LEU QB 1 29 VAL H . . 5.000 3.855 2.608 5.161 0.161 15 0 "[ . 1 . 2]" 1
405 1 27 LEU QD 1 28 LYS H . . 5.000 3.913 2.268 4.348 . 0 0 "[ . 1 . 2]" 1
406 1 27 LEU MD2 1 28 LYS H . . 5.000 4.576 3.518 5.365 0.365 13 0 "[ . 1 . 2]" 1
407 1 27 LEU QD 1 29 VAL H . . 5.000 4.566 2.575 5.538 0.538 1 2 "[+ -. 1 . 2]" 1
408 1 27 LEU QD 1 62 PHE QE . . 5.000 3.457 2.633 5.040 0.040 19 0 "[ . 1 . 2]" 1
409 1 28 LYS H 1 28 LYS HA . . 2.900 2.259 2.243 2.277 . 0 0 "[ . 1 . 2]" 1
410 1 28 LYS H 1 28 LYS QG . . 5.000 3.634 2.774 4.505 . 0 0 "[ . 1 . 2]" 1
411 1 28 LYS H 1 29 VAL H . . 3.500 3.029 2.634 3.377 . 0 0 "[ . 1 . 2]" 1
412 1 28 LYS HA 1 29 VAL H . . 3.500 2.493 2.209 3.082 . 0 0 "[ . 1 . 2]" 1
413 1 28 LYS HB3 1 29 VAL H . . 5.000 4.343 4.056 4.502 . 0 0 "[ . 1 . 2]" 1
414 1 28 LYS QG 1 29 VAL H . . 5.000 4.216 3.585 4.923 . 0 0 "[ . 1 . 2]" 1
415 1 29 VAL H 1 29 VAL HB . . 3.500 2.714 2.502 3.263 . 0 0 "[ . 1 . 2]" 1
416 1 29 VAL H 1 30 ALA H . . 5.000 4.497 4.053 4.654 . 0 0 "[ . 1 . 2]" 1
417 1 29 VAL HA 1 30 ALA H . . 2.900 2.238 2.138 2.410 . 0 0 "[ . 1 . 2]" 1
418 1 29 VAL HA 1 30 ALA HA . . 5.000 4.396 4.336 4.537 . 0 0 "[ . 1 . 2]" 1
419 1 29 VAL HA 1 30 ALA MB . . 5.000 4.044 3.966 4.193 . 0 0 "[ . 1 . 2]" 1
420 1 29 VAL HB 1 30 ALA H . . 5.000 4.120 3.705 4.465 . 0 0 "[ . 1 . 2]" 1
421 1 29 VAL MG1 1 30 ALA H . . 5.000 3.317 1.987 4.135 . 0 0 "[ . 1 . 2]" 1
422 1 29 VAL MG2 1 30 ALA H . . 5.000 3.115 1.929 4.310 . 0 0 "[ . 1 . 2]" 1
423 1 29 VAL MG1 1 30 ALA HA . . 5.000 4.260 3.861 4.599 . 0 0 "[ . 1 . 2]" 1
424 1 29 VAL MG1 1 30 ALA MB . . 5.000 4.239 2.945 4.957 . 0 0 "[ . 1 . 2]" 1
425 1 29 VAL MG1 1 31 GLN H . . 5.000 3.407 1.864 5.443 0.443 16 0 "[ . 1 . 2]" 1
426 1 29 VAL MG1 1 32 ALA H . . 5.000 4.033 3.230 5.396 0.396 19 0 "[ . 1 . 2]" 1
427 1 29 VAL MG1 1 32 ALA HA . . 5.000 3.260 2.021 4.772 . 0 0 "[ . 1 . 2]" 1
428 1 29 VAL MG1 1 32 ALA MB . . 5.000 3.508 2.029 4.936 . 0 0 "[ . 1 . 2]" 1
429 1 29 VAL MG1 1 35 VAL MG1 . . 5.000 3.372 2.135 4.697 . 0 0 "[ . 1 . 2]" 1
430 1 29 VAL MG1 1 35 VAL MG2 . . 5.000 3.209 2.306 4.269 . 0 0 "[ . 1 . 2]" 1
431 1 29 VAL MG2 1 62 PHE QE . . 5.000 2.978 2.094 4.624 . 0 0 "[ . 1 . 2]" 1
432 1 29 VAL MG1 1 62 PHE HZ . . 5.000 3.688 2.192 5.539 0.539 6 1 "[ .+ 1 . 2]" 1
433 1 29 VAL MG2 1 62 PHE HZ . . 5.000 2.919 1.772 5.236 0.236 12 0 "[ . 1 . 2]" 1
434 1 30 ALA H 1 31 GLN H . . 5.000 3.296 2.465 4.664 . 0 0 "[ . 1 . 2]" 1
435 1 30 ALA HA 1 31 GLN H . . 5.000 3.124 2.170 3.589 . 0 0 "[ . 1 . 2]" 1
436 1 30 ALA HA 1 31 GLN QG . . 5.000 4.773 3.938 5.457 0.457 18 0 "[ . 1 . 2]" 1
437 1 30 ALA MB 1 31 GLN H . . 5.000 2.701 2.081 3.682 . 0 0 "[ . 1 . 2]" 1
438 1 30 ALA MB 1 31 GLN HA . . 5.000 4.124 3.882 4.701 . 0 0 "[ . 1 . 2]" 1
439 1 30 ALA MB 1 31 GLN HB3 . . 5.000 5.088 4.800 5.561 0.561 2 1 "[ + . 1 . 2]" 1
440 1 30 ALA MB 1 31 GLN QG . . 5.000 3.076 2.558 4.334 . 0 0 "[ . 1 . 2]" 1
441 1 30 ALA MB 1 31 GLN HE21 . . 5.000 3.858 2.642 5.535 0.535 13 1 "[ . 1 + . 2]" 1
442 1 30 ALA MB 1 31 GLN HE22 . . 5.000 4.525 1.918 5.578 0.578 2 1 "[ + . 1 . 2]" 1
443 1 31 GLN H 1 31 GLN QG . . 5.000 2.836 2.257 3.448 . 0 0 "[ . 1 . 2]" 1
444 1 31 GLN H 1 32 ALA H . . 5.000 3.568 2.540 4.574 . 0 0 "[ . 1 . 2]" 1
445 1 31 GLN HA 1 32 ALA H . . 3.500 2.496 2.203 2.912 . 0 0 "[ . 1 . 2]" 1
446 1 31 GLN HA 1 32 ALA HA . . 5.000 4.605 4.408 4.813 . 0 0 "[ . 1 . 2]" 1
447 1 31 GLN HA 1 32 ALA MB . . 5.000 4.243 3.901 4.568 . 0 0 "[ . 1 . 2]" 1
448 1 31 GLN HA 1 33 GLU H . . 5.000 3.672 3.075 4.601 . 0 0 "[ . 1 . 2]" 1
449 1 31 GLN HA 1 34 TYR H . . 5.000 3.875 3.230 4.673 . 0 0 "[ . 1 . 2]" 1
450 1 31 GLN HA 1 34 TYR QD . . 5.000 2.947 1.946 3.982 . 0 0 "[ . 1 . 2]" 1
451 1 31 GLN HA 1 34 TYR QE . . 5.000 4.256 2.959 5.525 0.525 5 2 "[ -+ 1 . 2]" 1
452 1 31 GLN HB3 1 32 ALA H . . 5.000 4.001 2.387 4.495 . 0 0 "[ . 1 . 2]" 1
453 1 31 GLN HB3 1 34 TYR H . . 5.000 3.121 2.604 3.681 . 0 0 "[ . 1 . 2]" 1
454 1 31 GLN HB3 1 34 TYR HB3 . . 5.000 3.812 3.301 4.157 . 0 0 "[ . 1 . 2]" 1
455 1 31 GLN HB3 1 34 TYR QD . . 5.000 2.461 1.783 3.467 . 0 0 "[ . 1 . 2]" 1
456 1 31 GLN QB 1 34 TYR QE . . 5.000 4.447 3.479 5.504 0.504 20 1 "[ . 1 . +]" 1
457 1 31 GLN QG 1 32 ALA H . . 5.000 4.557 4.048 4.910 . 0 0 "[ . 1 . 2]" 1
458 1 31 GLN QG 1 34 TYR H . . 5.000 4.815 4.328 5.370 0.370 13 0 "[ . 1 . 2]" 1
459 1 31 GLN QG 1 34 TYR QD . . 5.000 3.204 2.132 4.205 . 0 0 "[ . 1 . 2]" 1
460 1 31 GLN QG 1 34 TYR QE . . 5.000 4.363 3.271 5.508 0.508 5 1 "[ + 1 . 2]" 1
461 1 31 GLN QE 1 34 TYR QB . . 5.000 4.495 2.661 5.492 0.492 15 0 "[ . 1 . 2]" 1
462 1 32 ALA H 1 33 GLU H . . 5.000 2.553 2.102 2.932 . 0 0 "[ . 1 . 2]" 1
463 1 32 ALA H 1 34 TYR QE . . 5.000 5.419 4.842 5.553 0.553 5 14 "[* *+ ***** ***-**]" 1
464 1 32 ALA H 1 35 VAL QG . . 5.000 4.411 3.189 4.917 . 0 0 "[ . 1 . 2]" 1
465 1 32 ALA HA 1 33 GLU H . . 5.000 3.491 3.131 3.575 . 0 0 "[ . 1 . 2]" 1
466 1 32 ALA HA 1 34 TYR H . . 5.000 4.070 3.564 4.961 . 0 0 "[ . 1 . 2]" 1
467 1 32 ALA HA 1 35 VAL HB . . 5.000 3.441 2.586 4.749 . 0 0 "[ . 1 . 2]" 1
468 1 32 ALA HA 1 35 VAL QG . . 5.000 2.530 1.931 3.198 . 0 0 "[ . 1 . 2]" 1
469 1 32 ALA MB 1 33 GLU H . . 5.000 2.674 2.095 3.427 . 0 0 "[ . 1 . 2]" 1
470 1 32 ALA MB 1 34 TYR H . . 5.000 4.391 4.107 4.943 . 0 0 "[ . 1 . 2]" 1
471 1 33 GLU H 1 33 GLU HG3 . . 5.000 4.017 2.244 4.521 . 0 0 "[ . 1 . 2]" 1
472 1 33 GLU H 1 34 TYR H . . 5.000 2.513 1.858 2.797 . 0 0 "[ . 1 . 2]" 1
473 1 33 GLU HA 1 34 TYR H . . 5.000 3.441 3.300 3.561 . 0 0 "[ . 1 . 2]" 1
474 1 33 GLU QB 1 34 TYR H . . 5.000 3.196 2.370 3.784 . 0 0 "[ . 1 . 2]" 1
475 1 33 GLU QB 1 34 TYR QD . . 5.000 3.436 2.644 4.671 . 0 0 "[ . 1 . 2]" 1
476 1 33 GLU QB 1 34 TYR QE . . 5.000 3.460 2.746 5.076 0.076 19 0 "[ . 1 . 2]" 1
477 1 33 GLU HG3 1 34 TYR H . . 5.000 4.476 3.588 5.500 0.500 1 0 "[ . 1 . 2]" 1
478 1 33 GLU HG3 1 34 TYR QD . . 5.000 4.413 3.699 5.477 0.477 18 0 "[ . 1 . 2]" 1
479 1 33 GLU HG3 1 34 TYR QE . . 5.000 4.130 3.383 5.272 0.272 9 0 "[ . 1 . 2]" 1
480 1 34 TYR H 1 34 TYR QD . . 5.000 2.677 1.949 3.105 . 0 0 "[ . 1 . 2]" 1
481 1 34 TYR H 1 34 TYR QE . . 5.000 4.488 4.159 4.746 . 0 0 "[ . 1 . 2]" 1
482 1 34 TYR H 1 35 VAL H . . 5.000 2.369 1.972 3.354 . 0 0 "[ . 1 . 2]" 1
483 1 34 TYR H 1 35 VAL HB . . 5.000 4.394 3.973 5.094 0.094 7 0 "[ . 1 . 2]" 1
484 1 34 TYR H 1 35 VAL QG . . 5.000 3.544 3.104 3.934 . 0 0 "[ . 1 . 2]" 1
485 1 34 TYR HA 1 35 VAL H . . 5.000 3.261 2.765 3.564 . 0 0 "[ . 1 . 2]" 1
486 1 34 TYR HA 1 35 VAL QG . . 5.000 4.571 4.308 4.835 . 0 0 "[ . 1 . 2]" 1
487 1 34 TYR QB 1 35 VAL H . . 5.000 3.397 2.366 3.911 . 0 0 "[ . 1 . 2]" 1
488 1 35 VAL H 1 36 THR HA . . 5.000 5.392 5.132 5.563 0.563 15 6 "[* * * 1 +- *2]" 1
489 1 35 VAL HA 1 36 THR H . . 3.500 2.202 2.139 2.345 . 0 0 "[ . 1 . 2]" 1
490 1 35 VAL HA 1 65 PHE QE . . 5.000 3.284 2.441 4.278 . 0 0 "[ . 1 . 2]" 1
491 1 35 VAL HA 1 65 PHE HZ . . 5.000 3.341 1.774 5.361 0.361 14 0 "[ . 1 . 2]" 1
492 1 35 VAL HB 1 36 THR H . . 5.000 4.233 3.957 4.549 . 0 0 "[ . 1 . 2]" 1
493 1 35 VAL HB 1 37 VAL MG1 . . 5.000 4.393 3.264 5.094 0.094 13 0 "[ . 1 . 2]" 1
494 1 35 VAL HB 1 62 PHE HZ . . 5.000 4.956 3.842 5.584 0.584 17 10 "[ *.-***1 * .*+ **]" 1
495 1 35 VAL MG1 1 36 THR H . . 5.000 3.910 2.486 4.258 . 0 0 "[ . 1 . 2]" 1
496 1 35 VAL MG2 1 36 THR H . . 5.000 2.865 2.185 4.405 . 0 0 "[ . 1 . 2]" 1
497 1 35 VAL QG 1 36 THR HA . . 5.000 3.586 3.170 4.326 . 0 0 "[ . 1 . 2]" 1
498 1 35 VAL MG1 1 37 VAL H . . 5.000 4.002 3.272 4.977 . 0 0 "[ . 1 . 2]" 1
499 1 35 VAL QG 1 37 VAL H . . 5.000 3.414 2.947 4.091 . 0 0 "[ . 1 . 2]" 1
500 1 35 VAL QG 1 37 VAL HA . . 5.000 4.126 3.557 4.599 . 0 0 "[ . 1 . 2]" 1
501 1 35 VAL QG 1 37 VAL MG1 . . 5.000 1.928 1.761 2.452 . 0 0 "[ . 1 . 2]" 1
502 1 35 VAL QG 1 62 PHE QD . . 5.000 3.349 2.368 4.101 . 0 0 "[ . 1 . 2]" 1
503 1 35 VAL QG 1 62 PHE QE . . 5.000 2.357 1.915 3.108 . 0 0 "[ . 1 . 2]" 1
504 1 35 VAL QG 1 62 PHE HZ . . 5.000 3.124 2.630 3.782 . 0 0 "[ . 1 . 2]" 1
505 1 35 VAL QG 1 65 PHE HZ . . 5.000 4.294 2.507 5.436 0.436 6 0 "[ . 1 . 2]" 1
506 1 36 THR H 1 37 VAL H . . 5.000 4.215 3.990 4.491 . 0 0 "[ . 1 . 2]" 1
507 1 36 THR H 1 37 VAL MG1 . . 5.000 3.948 3.100 4.509 . 0 0 "[ . 1 . 2]" 1
508 1 36 THR H 1 65 PHE QE . . 5.000 2.490 1.777 3.433 . 0 0 "[ . 1 . 2]" 1
509 1 36 THR HA 1 37 VAL H . . 3.500 2.207 2.135 2.348 . 0 0 "[ . 1 . 2]" 1
510 1 36 THR HA 1 37 VAL MG1 . . 5.000 4.031 3.671 4.398 . 0 0 "[ . 1 . 2]" 1
511 1 36 THR HA 1 37 VAL MG2 . . 5.000 3.864 3.750 3.979 . 0 0 "[ . 1 . 2]" 1
512 1 36 THR HA 1 65 PHE HZ . . 5.000 5.117 4.121 5.542 0.542 6 7 "[ * .+ * 1 **. * -]" 1
513 1 36 THR HB 1 37 VAL H . . 5.000 4.387 3.999 4.500 . 0 0 "[ . 1 . 2]" 1
514 1 36 THR HB 1 63 LEU H . . 5.000 5.017 3.956 5.566 0.566 7 8 "[ -* .*+* 1* **. 2]" 1
515 1 36 THR HB 1 63 LEU HG . . 5.000 4.319 3.138 5.559 0.559 9 1 "[ . +1 . 2]" 1
516 1 36 THR MG 1 37 VAL H . . 5.000 3.190 2.403 3.646 . 0 0 "[ . 1 . 2]" 1
517 1 36 THR MG 1 43 VAL HA . . 5.000 4.757 3.793 5.530 0.530 16 2 "[ . 1 .+ -]" 1
518 1 36 THR MG 1 43 VAL HB . . 5.000 4.220 3.213 5.281 0.281 20 0 "[ . 1 . 2]" 1
519 1 36 THR MG 1 43 VAL MG1 . . 5.000 4.559 3.964 5.399 0.399 20 0 "[ . 1 . 2]" 1
520 1 36 THR MG 1 43 VAL MG2 . . 5.000 2.685 1.979 3.319 . 0 0 "[ . 1 . 2]" 1
521 1 36 THR MG 1 65 PHE QD . . 5.000 4.834 4.058 5.442 0.442 7 0 "[ . 1 . 2]" 1
522 1 37 VAL H 1 44 LEU H . . 5.000 4.374 3.568 4.874 . 0 0 "[ . 1 . 2]" 1
523 1 37 VAL H 1 49 PHE QE . . 5.000 3.790 2.651 5.193 0.193 18 0 "[ . 1 . 2]" 1
524 1 37 VAL HA 1 38 GLU H . . 2.900 2.271 2.162 2.387 . 0 0 "[ . 1 . 2]" 1
525 1 37 VAL HA 1 43 VAL QG . . 5.000 4.754 4.062 5.294 0.294 10 0 "[ . 1 . 2]" 1
526 1 37 VAL HA 1 61 GLU H . . 5.000 5.073 4.065 5.535 0.535 6 3 "[- .+ 1 . *]" 1
527 1 37 VAL HB 1 38 GLU H . . 5.000 2.881 2.400 3.910 . 0 0 "[ . 1 . 2]" 1
528 1 37 VAL HB 1 61 GLU H . . 5.000 4.370 3.717 5.506 0.506 18 1 "[ . 1 . + 2]" 1
529 1 37 VAL MG1 1 38 GLU H . . 5.000 3.815 3.600 4.136 . 0 0 "[ . 1 . 2]" 1
530 1 37 VAL MG2 1 38 GLU H . . 5.000 3.759 3.486 4.267 . 0 0 "[ . 1 . 2]" 1
531 1 37 VAL MG2 1 39 LEU H . . 5.000 4.690 4.102 5.383 0.383 6 0 "[ . 1 . 2]" 1
532 1 37 VAL MG2 1 44 LEU H . . 5.000 3.727 2.927 4.190 . 0 0 "[ . 1 . 2]" 1
533 1 37 VAL MG2 1 44 LEU HG . . 5.000 4.477 3.340 5.539 0.539 6 4 "[ .+ -* .* 2]" 1
534 1 37 VAL MG1 1 62 PHE QD . . 5.000 2.581 1.846 3.593 . 0 0 "[ . 1 . 2]" 1
535 1 37 VAL MG1 1 62 PHE QE . . 5.000 3.081 2.839 3.630 . 0 0 "[ . 1 . 2]" 1
536 1 38 GLU H 1 38 GLU HG3 . . 5.000 3.392 2.950 4.112 . 0 0 "[ . 1 . 2]" 1
537 1 38 GLU H 1 39 LEU QD . . 5.000 5.117 3.728 5.629 0.629 10 10 "[* ** - + ***. * *]" 1
538 1 38 GLU H 1 43 VAL QG . . 5.000 4.730 4.196 5.212 0.212 14 0 "[ . 1 . 2]" 1
539 1 38 GLU H 1 61 GLU HB3 . . 5.000 4.259 2.840 5.266 0.266 12 0 "[ . 1 . 2]" 1
540 1 38 GLU HA 1 39 LEU H . . 3.500 2.193 2.090 2.476 . 0 0 "[ . 1 . 2]" 1
541 1 38 GLU HA 1 39 LEU QD . . 5.000 4.246 2.783 5.105 0.105 10 0 "[ . 1 . 2]" 1
542 1 38 GLU HA 1 42 GLU H . . 5.000 4.294 3.269 5.510 0.510 1 1 "[+ . 1 . 2]" 1
543 1 38 GLU HA 1 43 VAL HA . . 3.500 2.158 1.761 2.621 0.039 18 0 "[ . 1 . 2]" 1
544 1 38 GLU HA 1 43 VAL QG . . 5.000 3.615 3.246 3.909 . 0 0 "[ . 1 . 2]" 1
545 1 38 GLU HA 1 44 LEU H . . 5.000 3.103 2.590 3.629 . 0 0 "[ . 1 . 2]" 1
546 1 38 GLU HA 1 44 LEU QD . . 5.000 2.510 2.044 3.486 . 0 0 "[ . 1 . 2]" 1
547 1 38 GLU HB3 1 39 LEU H . . 5.000 4.084 3.715 4.458 . 0 0 "[ . 1 . 2]" 1
548 1 38 GLU QB 1 41 GLY H . . 5.000 3.438 2.852 4.110 . 0 0 "[ . 1 . 2]" 1
549 1 38 GLU HB3 1 42 GLU H . . 5.000 4.549 3.690 5.422 0.422 1 0 "[ . 1 . 2]" 1
550 1 38 GLU HB3 1 43 VAL H . . 5.000 3.802 3.057 4.527 . 0 0 "[ . 1 . 2]" 1
551 1 38 GLU HB3 1 43 VAL HA . . 5.000 2.425 1.909 2.876 . 0 0 "[ . 1 . 2]" 1
552 1 38 GLU HB3 1 43 VAL MG1 . . 5.000 4.294 3.957 4.589 . 0 0 "[ . 1 . 2]" 1
553 1 38 GLU HB3 1 43 VAL MG2 . . 5.000 3.280 2.861 3.739 . 0 0 "[ . 1 . 2]" 1
554 1 38 GLU HB3 1 44 LEU H . . 5.000 4.293 3.575 4.993 . 0 0 "[ . 1 . 2]" 1
555 1 38 GLU HG3 1 41 GLY H . . 5.000 3.286 2.706 4.396 . 0 0 "[ . 1 . 2]" 1
556 1 38 GLU HG3 1 41 GLY QA . . 5.000 3.063 2.243 4.208 . 0 0 "[ . 1 . 2]" 1
557 1 38 GLU HG3 1 42 GLU H . . 5.000 4.183 3.147 5.530 0.530 10 1 "[ . + . 2]" 1
558 1 39 LEU H 1 39 LEU QD . . 5.000 3.030 1.780 3.733 . 0 0 "[ . 1 . 2]" 1
559 1 39 LEU H 1 40 ASN H . . 5.000 4.357 4.185 4.527 . 0 0 "[ . 1 . 2]" 1
560 1 39 LEU H 1 42 GLU H . . 5.000 3.280 2.577 3.858 . 0 0 "[ . 1 . 2]" 1
561 1 39 LEU H 1 42 GLU QB . . 5.000 3.661 3.209 4.098 . 0 0 "[ . 1 . 2]" 1
562 1 39 LEU H 1 43 VAL HA . . 5.000 3.627 3.096 4.089 . 0 0 "[ . 1 . 2]" 1
563 1 39 LEU H 1 44 LEU QD . . 5.000 2.289 1.960 3.637 . 0 0 "[ . 1 . 2]" 1
564 1 39 LEU HA 1 40 ASN H . . 3.500 2.166 2.111 2.220 . 0 0 "[ . 1 . 2]" 1
565 1 39 LEU HA 1 40 ASN HA . . 5.000 4.384 4.341 4.435 . 0 0 "[ . 1 . 2]" 1
566 1 39 LEU HA 1 41 GLY H . . 5.000 3.761 3.404 4.125 . 0 0 "[ . 1 . 2]" 1
567 1 39 LEU HA 1 42 GLU H . . 5.000 4.415 4.220 5.095 0.095 1 0 "[ . 1 . 2]" 1
568 1 39 LEU HA 1 59 ALA H . . 5.000 4.870 4.135 5.536 0.536 3 2 "[ + . 1 . -]" 1
569 1 39 LEU HA 1 59 ALA MB . . 5.000 4.302 2.338 5.316 0.316 3 0 "[ . 1 . 2]" 1
570 1 39 LEU HB3 1 40 ASN H . . 5.000 4.072 3.303 4.409 . 0 0 "[ . 1 . 2]" 1
571 1 39 LEU QD 1 40 ASN H . . 5.000 3.276 2.328 4.298 . 0 0 "[ . 1 . 2]" 1
572 1 39 LEU QD 1 40 ASN HA . . 5.000 4.463 3.540 5.509 0.509 11 1 "[ . 1+ . 2]" 1
573 1 39 LEU QD 1 40 ASN HB3 . . 5.000 4.497 3.671 5.732 0.732 11 2 "[ . 1+ . - 2]" 1
574 1 39 LEU QD 1 40 ASN HD21 . . 5.000 3.003 1.677 5.597 0.597 8 3 "[ - . + 1 . * 2]" 1
575 1 39 LEU QD 1 40 ASN HD22 . . 5.000 3.302 2.178 5.625 0.625 10 1 "[ . + . 2]" 1
576 1 39 LEU QD 1 58 ASP QB . . 5.000 3.326 1.984 4.772 . 0 0 "[ . 1 . 2]" 1
577 1 39 LEU QD 1 59 ALA H . . 5.000 3.588 1.846 4.929 . 0 0 "[ . 1 . 2]" 1
578 1 40 ASN H 1 40 ASN QD . . 5.000 3.204 1.860 5.247 0.247 10 0 "[ . 1 . 2]" 1
579 1 40 ASN H 1 41 GLY H . . 5.000 2.751 2.626 2.871 . 0 0 "[ . 1 . 2]" 1
580 1 40 ASN H 1 42 GLU H . . 5.000 4.258 3.932 4.812 . 0 0 "[ . 1 . 2]" 1
581 1 40 ASN H 1 59 ALA H . . 5.000 4.038 3.060 4.574 . 0 0 "[ . 1 . 2]" 1
582 1 40 ASN H 1 59 ALA MB . . 5.000 2.815 1.892 3.583 . 0 0 "[ . 1 . 2]" 1
583 1 40 ASN HA 1 41 GLY H . . 3.500 2.984 2.706 3.288 . 0 0 "[ . 1 . 2]" 1
584 1 40 ASN HA 1 42 GLU H . . 5.000 4.693 4.253 5.372 0.372 6 0 "[ . 1 . 2]" 1
585 1 40 ASN HA 1 59 ALA H . . 5.000 4.516 3.431 5.537 0.537 19 2 "[ .- 1 . +2]" 1
586 1 40 ASN HA 1 59 ALA MB . . 5.000 2.490 1.920 3.255 . 0 0 "[ . 1 . 2]" 1
587 1 40 ASN QB 1 41 GLY H . . 5.000 3.771 3.495 3.922 . 0 0 "[ . 1 . 2]" 1
588 1 40 ASN HB3 1 59 ALA MB . . 5.000 3.982 3.433 4.537 . 0 0 "[ . 1 . 2]" 1
589 1 40 ASN HD21 1 58 ASP HA . . 5.000 4.858 3.973 5.521 0.521 8 3 "[* . + 1- . 2]" 1
590 1 40 ASN HD22 1 58 ASP HA . . 5.000 3.373 2.518 4.174 . 0 0 "[ . 1 . 2]" 1
591 1 40 ASN HD21 1 59 ALA H . . 5.000 3.626 2.540 4.807 . 0 0 "[ . 1 . 2]" 1
592 1 40 ASN HD22 1 59 ALA H . . 5.000 2.623 1.808 4.413 . 0 0 "[ . 1 . 2]" 1
593 1 40 ASN HD21 1 59 ALA MB . . 5.000 3.575 1.911 5.515 0.515 16 1 "[ . 1 .+ 2]" 1
594 1 40 ASN HD22 1 59 ALA MB . . 5.000 3.366 2.347 5.096 0.096 16 0 "[ . 1 . 2]" 1
595 1 41 GLY H 1 42 GLU H . . 5.000 2.486 1.914 2.989 . 0 0 "[ . 1 . 2]" 1
596 1 41 GLY H 1 59 ALA MB . . 5.000 4.525 3.986 5.070 0.070 5 0 "[ . 1 . 2]" 1
597 1 41 GLY HA3 1 42 GLU H . . 5.000 3.339 2.854 3.590 . 0 0 "[ . 1 . 2]" 1
598 1 42 GLU H 1 42 GLU HB3 . . 3.500 2.803 2.447 3.697 0.197 15 0 "[ . 1 . 2]" 1
599 1 42 GLU H 1 42 GLU HG3 . . 5.000 4.502 2.549 5.241 0.241 6 0 "[ . 1 . 2]" 1
600 1 42 GLU H 1 43 VAL H . . 5.000 4.268 3.897 4.552 . 0 0 "[ . 1 . 2]" 1
601 1 42 GLU HA 1 43 VAL H . . 3.500 2.183 2.134 2.229 . 0 0 "[ . 1 . 2]" 1
602 1 42 GLU HA 1 43 VAL HA . . 5.000 4.409 4.351 4.491 . 0 0 "[ . 1 . 2]" 1
603 1 42 GLU HB3 1 43 VAL H . . 5.000 4.199 3.396 4.457 . 0 0 "[ . 1 . 2]" 1
604 1 42 GLU QB 1 44 LEU QD . . 5.000 3.541 2.967 4.205 . 0 0 "[ . 1 . 2]" 1
605 1 42 GLU HG3 1 43 VAL H . . 5.000 3.710 2.861 5.285 0.285 8 0 "[ . 1 . 2]" 1
606 1 43 VAL H 1 43 VAL HB . . 3.500 2.658 2.532 2.842 . 0 0 "[ . 1 . 2]" 1
607 1 43 VAL HA 1 44 LEU H . . 2.900 2.214 2.163 2.288 . 0 0 "[ . 1 . 2]" 1
608 1 43 VAL HA 1 44 LEU HA . . 5.000 4.397 4.353 4.436 . 0 0 "[ . 1 . 2]" 1
609 1 43 VAL HB 1 44 LEU H . . 5.000 4.095 3.995 4.233 . 0 0 "[ . 1 . 2]" 1
610 1 43 VAL QG 1 44 LEU H . . 5.000 2.382 2.117 2.697 . 0 0 "[ . 1 . 2]" 1
611 1 43 VAL MG1 1 44 LEU HA . . 5.000 4.150 3.974 4.267 . 0 0 "[ . 1 . 2]" 1
612 1 43 VAL MG2 1 44 LEU HA . . 5.000 3.889 3.757 3.981 . 0 0 "[ . 1 . 2]" 1
613 1 44 LEU H 1 44 LEU HG . . 5.000 4.125 3.636 4.383 . 0 0 "[ . 1 . 2]" 1
614 1 44 LEU H 1 44 LEU QD . . 5.000 2.202 1.852 2.758 . 0 0 "[ . 1 . 2]" 1
615 1 44 LEU HA 1 45 GLU H . . 2.900 2.272 2.146 2.569 . 0 0 "[ . 1 . 2]" 1
616 1 44 LEU HB3 1 45 GLU H . . 5.000 2.796 2.005 3.420 . 0 0 "[ . 1 . 2]" 1
617 1 44 LEU QB 1 48 ALA MB . . 5.000 2.352 1.897 3.445 . 0 0 "[ . 1 . 2]" 1
618 1 44 LEU QB 1 49 PHE H . . 5.000 4.021 3.454 4.745 . 0 0 "[ . 1 . 2]" 1
619 1 44 LEU HB3 1 49 PHE QD . . 5.000 3.244 2.572 4.260 . 0 0 "[ . 1 . 2]" 1
620 1 44 LEU HB3 1 49 PHE QE . . 5.000 3.330 2.410 4.270 . 0 0 "[ . 1 . 2]" 1
621 1 44 LEU HG 1 49 PHE HA . . 5.000 4.441 3.415 5.548 0.548 11 3 "[ . 1+- . * 2]" 1
622 1 44 LEU HG 1 49 PHE QD . . 5.000 4.162 3.284 5.009 0.009 9 0 "[ . 1 . 2]" 1
623 1 44 LEU HG 1 49 PHE QE . . 5.000 4.550 3.647 5.458 0.458 18 0 "[ . 1 . 2]" 1
624 1 44 LEU HG 1 52 THR HB . . 5.000 3.890 2.912 4.932 . 0 0 "[ . 1 . 2]" 1
625 1 44 LEU HG 1 52 THR MG . . 5.000 3.349 2.642 4.725 . 0 0 "[ . 1 . 2]" 1
626 1 44 LEU QD 1 45 GLU H . . 5.000 3.498 2.684 4.361 . 0 0 "[ . 1 . 2]" 1
627 1 44 LEU QD 1 48 ALA MB . . 5.000 2.784 2.104 3.656 . 0 0 "[ . 1 . 2]" 1
628 1 44 LEU QD 1 49 PHE H . . 5.000 4.888 3.843 5.505 0.505 20 1 "[ . 1 . +]" 1
629 1 44 LEU QD 1 49 PHE HA . . 5.000 4.024 2.308 4.996 . 0 0 "[ . 1 . 2]" 1
630 1 44 LEU QD 1 49 PHE QD . . 5.000 3.637 2.220 4.636 . 0 0 "[ . 1 . 2]" 1
631 1 44 LEU QD 1 49 PHE QE . . 5.000 3.553 2.932 4.563 . 0 0 "[ . 1 . 2]" 1
632 1 44 LEU QD 1 52 THR HB . . 5.000 3.423 2.281 4.463 . 0 0 "[ . 1 . 2]" 1
633 1 44 LEU QD 1 52 THR MG . . 5.000 2.632 1.851 3.365 . 0 0 "[ . 1 . 2]" 1
634 1 45 GLU H 1 45 GLU HB3 . . 3.500 2.900 2.351 3.636 0.136 20 0 "[ . 1 . 2]" 1
635 1 45 GLU H 1 45 GLU HG3 . . 5.000 4.138 2.274 4.780 . 0 0 "[ . 1 . 2]" 1
636 1 45 GLU H 1 48 ALA H . . 5.000 3.931 3.497 4.581 . 0 0 "[ . 1 . 2]" 1
637 1 45 GLU H 1 48 ALA MB . . 5.000 2.217 1.791 2.847 . 0 0 "[ . 1 . 2]" 1
638 1 45 GLU HA 1 46 ARG H . . 2.900 2.371 2.239 2.486 . 0 0 "[ . 1 . 2]" 1
639 1 45 GLU HA 1 46 ARG HA . . 5.000 4.311 4.154 4.413 . 0 0 "[ . 1 . 2]" 1
640 1 45 GLU HA 1 47 GLU H . . 5.000 4.455 3.870 4.893 . 0 0 "[ . 1 . 2]" 1
641 1 45 GLU HA 1 48 ALA MB . . 5.000 4.017 3.767 4.699 . 0 0 "[ . 1 . 2]" 1
642 1 45 GLU HB3 1 46 ARG H . . 5.000 3.320 2.314 4.146 . 0 0 "[ . 1 . 2]" 1
643 1 45 GLU HB3 1 47 GLU H . . 5.000 3.338 2.473 4.129 . 0 0 "[ . 1 . 2]" 1
644 1 45 GLU HB3 1 48 ALA H . . 5.000 3.079 2.296 3.706 . 0 0 "[ . 1 . 2]" 1
645 1 45 GLU HB3 1 48 ALA MB . . 5.000 2.778 1.936 4.050 . 0 0 "[ . 1 . 2]" 1
646 1 45 GLU QB 1 49 PHE H . . 5.000 4.816 4.114 5.474 0.474 12 0 "[ . 1 . 2]" 1
647 1 45 GLU HG3 1 46 ARG H . . 5.000 3.336 2.059 4.828 . 0 0 "[ . 1 . 2]" 1
648 1 45 GLU HG3 1 47 GLU H . . 5.000 4.035 1.775 5.549 0.549 9 1 "[ . +1 . 2]" 1
649 1 45 GLU HG3 1 48 ALA MB . . 5.000 4.350 2.897 5.040 0.040 20 0 "[ . 1 . 2]" 1
650 1 46 ARG H 1 46 ARG QG . . 5.000 2.674 1.976 3.990 . 0 0 "[ . 1 . 2]" 1
651 1 46 ARG H 1 46 ARG QD . . 5.000 3.613 1.888 4.764 . 0 0 "[ . 1 . 2]" 1
652 1 46 ARG H 1 47 GLU H . . 3.500 2.913 2.706 3.196 . 0 0 "[ . 1 . 2]" 1
653 1 46 ARG H 1 47 GLU QB . . 5.000 4.939 4.468 5.526 0.526 3 1 "[ + . 1 . 2]" 1
654 1 46 ARG H 1 48 ALA H . . 5.000 4.105 3.875 4.397 . 0 0 "[ . 1 . 2]" 1
655 1 46 ARG HA 1 46 ARG QD . . 5.000 4.010 2.672 4.563 . 0 0 "[ . 1 . 2]" 1
656 1 46 ARG HA 1 47 GLU H . . 5.000 3.546 3.436 3.605 . 0 0 "[ . 1 . 2]" 1
657 1 46 ARG HA 1 48 ALA H . . 5.000 4.214 3.643 4.625 . 0 0 "[ . 1 . 2]" 1
658 1 46 ARG HA 1 49 PHE H . . 5.000 4.182 3.339 5.520 0.520 7 1 "[ . + 1 . 2]" 1
659 1 46 ARG HA 1 49 PHE QD . . 5.000 3.252 2.467 4.527 . 0 0 "[ . 1 . 2]" 1
660 1 46 ARG HA 1 49 PHE QE . . 5.000 2.731 1.908 3.461 . 0 0 "[ . 1 . 2]" 1
661 1 46 ARG HB3 1 47 GLU H . . 5.000 3.560 2.486 4.179 . 0 0 "[ . 1 . 2]" 1
662 1 46 ARG QB 1 47 GLU QB . . 5.000 4.145 3.498 5.228 0.228 20 0 "[ . 1 . 2]" 1
663 1 46 ARG QG 1 47 GLU H . . 5.000 3.555 1.764 4.597 . 0 0 "[ . 1 . 2]" 1
664 1 47 GLU H 1 47 GLU QB . . 2.900 2.482 2.239 3.073 0.173 7 0 "[ . 1 . 2]" 1
665 1 47 GLU H 1 47 GLU HG3 . . 5.000 3.453 2.211 4.545 . 0 0 "[ . 1 . 2]" 1
666 1 47 GLU H 1 48 ALA H . . 5.000 2.492 2.204 2.940 . 0 0 "[ . 1 . 2]" 1
667 1 47 GLU H 1 48 ALA HA . . 5.000 5.027 4.586 5.271 0.271 18 0 "[ . 1 . 2]" 1
668 1 47 GLU H 1 48 ALA MB . . 5.000 4.105 3.668 4.323 . 0 0 "[ . 1 . 2]" 1
669 1 47 GLU H 1 49 PHE H . . 5.000 4.242 3.986 4.721 . 0 0 "[ . 1 . 2]" 1
670 1 47 GLU HA 1 48 ALA H . . 5.000 3.384 2.985 3.543 . 0 0 "[ . 1 . 2]" 1
671 1 47 GLU HA 1 49 PHE H . . 5.000 3.740 3.167 4.078 . 0 0 "[ . 1 . 2]" 1
672 1 47 GLU QB 1 48 ALA H . . 5.000 3.245 2.581 4.025 . 0 0 "[ . 1 . 2]" 1
673 1 47 GLU QB 1 48 ALA MB . . 5.000 4.262 3.440 5.011 0.011 3 0 "[ . 1 . 2]" 1
674 1 47 GLU QB 1 49 PHE H . . 5.000 4.752 4.512 5.033 0.033 12 0 "[ . 1 . 2]" 1
675 1 47 GLU HG3 1 48 ALA H . . 5.000 4.329 2.342 5.154 0.154 12 0 "[ . 1 . 2]" 1
676 1 48 ALA H 1 49 PHE H . . 2.900 2.555 2.120 2.825 . 0 0 "[ . 1 . 2]" 1
677 1 48 ALA H 1 49 PHE QD . . 5.000 4.310 3.145 5.105 0.105 5 0 "[ . 1 . 2]" 1
678 1 48 ALA HA 1 49 PHE H . . 5.000 3.415 3.187 3.501 . 0 0 "[ . 1 . 2]" 1
679 1 48 ALA HA 1 50 ASP H . . 5.000 3.948 3.682 4.172 . 0 0 "[ . 1 . 2]" 1
680 1 48 ALA HA 1 51 ALA H . . 5.000 3.062 2.729 3.691 . 0 0 "[ . 1 . 2]" 1
681 1 48 ALA HA 1 51 ALA MB . . 5.000 2.514 1.780 3.332 . 0 0 "[ . 1 . 2]" 1
682 1 48 ALA MB 1 49 PHE H . . 5.000 3.048 2.819 3.480 . 0 0 "[ . 1 . 2]" 1
683 1 48 ALA MB 1 49 PHE HA . . 5.000 4.004 3.911 4.105 . 0 0 "[ . 1 . 2]" 1
684 1 48 ALA MB 1 49 PHE QD . . 5.000 3.819 3.297 4.450 . 0 0 "[ . 1 . 2]" 1
685 1 48 ALA MB 1 49 PHE QE . . 5.000 4.511 4.233 5.166 0.166 20 0 "[ . 1 . 2]" 1
686 1 48 ALA MB 1 51 ALA H . . 5.000 4.220 3.997 4.873 . 0 0 "[ . 1 . 2]" 1
687 1 49 PHE H 1 49 PHE QD . . 5.000 2.753 1.780 3.253 . 0 0 "[ . 1 . 2]" 1
688 1 49 PHE H 1 49 PHE QE . . 5.000 4.388 3.935 4.664 . 0 0 "[ . 1 . 2]" 1
689 1 49 PHE H 1 50 ASP H . . 3.500 2.765 2.506 2.906 . 0 0 "[ . 1 . 2]" 1
690 1 49 PHE H 1 50 ASP QB . . 5.000 4.702 4.426 5.014 0.014 18 0 "[ . 1 . 2]" 1
691 1 49 PHE H 1 51 ALA H . . 5.000 4.101 3.705 4.650 . 0 0 "[ . 1 . 2]" 1
692 1 49 PHE HA 1 49 PHE QE . . 5.000 4.414 4.227 4.722 . 0 0 "[ . 1 . 2]" 1
693 1 49 PHE HA 1 50 ASP H . . 5.000 3.528 3.476 3.583 . 0 0 "[ . 1 . 2]" 1
694 1 49 PHE HA 1 51 ALA H . . 5.000 4.376 4.065 5.074 0.074 1 0 "[ . 1 . 2]" 1
695 1 49 PHE HA 1 52 THR H . . 5.000 3.870 3.396 4.330 . 0 0 "[ . 1 . 2]" 1
696 1 49 PHE HA 1 52 THR HB . . 5.000 3.364 2.771 4.000 . 0 0 "[ . 1 . 2]" 1
697 1 49 PHE HA 1 52 THR MG . . 5.000 4.690 4.226 5.288 0.288 10 0 "[ . 1 . 2]" 1
698 1 49 PHE HB3 1 49 PHE QE . . 5.000 4.473 4.381 4.510 . 0 0 "[ . 1 . 2]" 1
699 1 49 PHE HB3 1 50 ASP H . . 5.000 3.707 3.406 3.973 . 0 0 "[ . 1 . 2]" 1
700 1 49 PHE QD 1 50 ASP H . . 5.000 4.403 3.949 4.590 . 0 0 "[ . 1 . 2]" 1
701 1 50 ASP H 1 50 ASP QB . . 3.500 2.363 2.181 2.678 . 0 0 "[ . 1 . 2]" 1
702 1 50 ASP H 1 51 ALA H . . 3.500 2.482 2.356 2.736 . 0 0 "[ . 1 . 2]" 1
703 1 50 ASP H 1 51 ALA MB . . 5.000 4.192 4.045 4.401 . 0 0 "[ . 1 . 2]" 1
704 1 50 ASP H 1 52 THR H . . 5.000 4.119 3.864 4.487 . 0 0 "[ . 1 . 2]" 1
705 1 50 ASP HA 1 51 ALA H . . 5.000 3.501 3.443 3.577 . 0 0 "[ . 1 . 2]" 1
706 1 50 ASP QB 1 51 ALA H . . 3.500 2.825 2.292 3.565 0.065 11 0 "[ . 1 . 2]" 1
707 1 50 ASP QB 1 51 ALA HA . . 5.000 4.087 3.771 4.372 . 0 0 "[ . 1 . 2]" 1
708 1 50 ASP QB 1 51 ALA MB . . 5.000 3.790 3.443 4.480 . 0 0 "[ . 1 . 2]" 1
709 1 51 ALA H 1 52 THR H . . 2.900 2.570 2.318 2.780 . 0 0 "[ . 1 . 2]" 1
710 1 51 ALA H 1 52 THR HB . . 5.000 4.802 4.534 5.149 0.149 12 0 "[ . 1 . 2]" 1
711 1 51 ALA HA 1 52 THR H . . 5.000 3.425 3.070 3.581 . 0 0 "[ . 1 . 2]" 1
712 1 51 ALA MB 1 52 THR H . . 5.000 2.943 2.276 3.565 . 0 0 "[ . 1 . 2]" 1
713 1 51 ALA MB 1 52 THR HA . . 5.000 3.999 3.751 4.294 . 0 0 "[ . 1 . 2]" 1
714 1 52 THR H 1 52 THR HB . . 3.500 2.602 2.485 2.876 . 0 0 "[ . 1 . 2]" 1
715 1 52 THR H 1 53 THR H . . 5.000 4.355 4.114 4.554 . 0 0 "[ . 1 . 2]" 1
716 1 52 THR HA 1 53 THR H . . 2.900 2.165 2.136 2.204 . 0 0 "[ . 1 . 2]" 1
717 1 52 THR HB 1 53 THR H . . 5.000 4.329 4.223 4.485 . 0 0 "[ . 1 . 2]" 1
718 1 52 THR MG 1 53 THR H . . 5.000 2.982 2.703 3.364 . 0 0 "[ . 1 . 2]" 1
719 1 52 THR MG 1 54 VAL HA . . 5.000 4.046 3.641 4.405 . 0 0 "[ . 1 . 2]" 1
720 1 53 THR H 1 53 THR HB . . 3.500 3.116 2.498 3.733 0.233 15 0 "[ . 1 . 2]" 1
721 1 53 THR H 1 54 VAL QG . . 5.000 4.709 4.477 4.927 . 0 0 "[ . 1 . 2]" 1
722 1 53 THR HA 1 54 VAL H . . 2.900 2.159 2.118 2.256 . 0 0 "[ . 1 . 2]" 1
723 1 53 THR HA 1 54 VAL HB . . 5.000 4.666 4.566 4.780 . 0 0 "[ . 1 . 2]" 1
724 1 53 THR HA 1 54 VAL QG . . 5.000 3.534 3.236 3.708 . 0 0 "[ . 1 . 2]" 1
725 1 53 THR HB 1 54 VAL H . . 5.000 3.799 2.685 4.401 . 0 0 "[ . 1 . 2]" 1
726 1 53 THR MG 1 54 VAL H . . 5.000 3.436 2.354 4.091 . 0 0 "[ . 1 . 2]" 1
727 1 54 VAL H 1 55 LYS QG . . 5.000 5.028 4.225 5.652 0.652 4 6 "[ * +.* ** . - 2]" 1
728 1 54 VAL HA 1 55 LYS H . . 2.900 2.249 2.159 2.412 . 0 0 "[ . 1 . 2]" 1
729 1 54 VAL HA 1 55 LYS QG . . 5.000 3.619 3.237 4.640 . 0 0 "[ . 1 . 2]" 1
730 1 54 VAL HB 1 55 LYS H . . 5.000 3.973 3.518 4.301 . 0 0 "[ . 1 . 2]" 1
731 1 54 VAL MG1 1 55 LYS H . . 5.000 2.400 1.821 2.955 . 0 0 "[ . 1 . 2]" 1
732 1 54 VAL QG 1 55 LYS H . . 5.000 2.379 1.818 2.900 . 0 0 "[ . 1 . 2]" 1
733 1 54 VAL QG 1 55 LYS QG . . 5.000 4.032 3.421 4.919 . 0 0 "[ . 1 . 2]" 1
734 1 54 VAL QG 1 58 ASP H . . 5.000 4.218 3.775 4.688 . 0 0 "[ . 1 . 2]" 1
735 1 54 VAL QG 1 58 ASP HB3 . . 5.000 2.624 2.090 3.126 . 0 0 "[ . 1 . 2]" 1
736 1 55 LYS H 1 55 LYS HG3 . . 5.000 3.089 2.276 4.137 . 0 0 "[ . 1 . 2]" 1
737 1 55 LYS H 1 56 ASP H . . 5.000 4.337 3.327 4.445 . 0 0 "[ . 1 . 2]" 1
738 1 55 LYS H 1 58 ASP H . . 5.000 4.889 3.948 5.538 0.538 19 5 "[- * . * * . +2]" 1
739 1 55 LYS H 1 58 ASP HB3 . . 5.000 3.856 2.820 4.773 . 0 0 "[ . 1 . 2]" 1
740 1 55 LYS HA 1 56 ASP H . . 5.000 2.642 2.264 2.884 . 0 0 "[ . 1 . 2]" 1
741 1 55 LYS HA 1 56 ASP HB2 . . 5.000 4.650 4.284 4.803 . 0 0 "[ . 1 . 2]" 1
742 1 55 LYS HB3 1 56 ASP H . . 5.000 2.915 1.791 4.524 0.009 16 0 "[ . 1 . 2]" 1
743 1 55 LYS HB3 1 56 ASP QB . . 5.000 4.586 3.595 5.360 0.360 6 0 "[ . 1 . 2]" 1
744 1 55 LYS HG3 1 56 ASP H . . 5.000 4.046 3.133 4.774 . 0 0 "[ . 1 . 2]" 1
745 1 56 ASP H 1 56 ASP HB2 . . 3.500 2.492 2.217 3.159 . 0 0 "[ . 1 . 2]" 1
746 1 56 ASP H 1 57 GLY H . . 5.000 4.390 3.373 4.634 . 0 0 "[ . 1 . 2]" 1
747 1 56 ASP HA 1 57 GLY H . . 3.500 2.233 2.146 2.807 . 0 0 "[ . 1 . 2]" 1
748 1 56 ASP HA 1 57 GLY QA . . 5.000 3.942 3.875 4.052 . 0 0 "[ . 1 . 2]" 1
749 1 56 ASP HA 1 58 ASP H . . 5.000 4.004 3.565 4.714 . 0 0 "[ . 1 . 2]" 1
750 1 56 ASP HB2 1 57 GLY H . . 5.000 4.362 4.044 4.647 . 0 0 "[ . 1 . 2]" 1
751 1 57 GLY H 1 58 ASP H . . 5.000 2.390 1.909 2.719 . 0 0 "[ . 1 . 2]" 1
752 1 57 GLY H 1 58 ASP HB3 . . 5.000 5.095 4.518 5.589 0.589 4 5 "[ * +. - 1 * * 2]" 1
753 1 57 GLY HA3 1 58 ASP H . . 5.000 3.527 3.352 3.589 . 0 0 "[ . 1 . 2]" 1
754 1 58 ASP H 1 59 ALA H . . 5.000 4.472 4.287 4.613 . 0 0 "[ . 1 . 2]" 1
755 1 58 ASP HA 1 59 ALA H . . 2.900 2.409 2.144 2.728 . 0 0 "[ . 1 . 2]" 1
756 1 58 ASP HA 1 59 ALA MB . . 5.000 3.912 3.797 4.029 . 0 0 "[ . 1 . 2]" 1
757 1 58 ASP HB3 1 59 ALA H . . 5.000 3.239 2.634 3.869 . 0 0 "[ . 1 . 2]" 1
758 1 59 ALA HA 1 60 VAL H . . 5.000 2.309 2.157 2.833 . 0 0 "[ . 1 . 2]" 1
759 1 59 ALA HA 1 60 VAL MG1 . . 5.000 3.854 3.629 4.295 . 0 0 "[ . 1 . 2]" 1
760 1 59 ALA MB 1 60 VAL H . . 5.000 3.520 2.846 3.723 . 0 0 "[ . 1 . 2]" 1
761 1 60 VAL HA 1 61 GLU H . . 5.000 2.189 2.143 2.379 . 0 0 "[ . 1 . 2]" 1
762 1 60 VAL HA 1 61 GLU HA . . 5.000 4.432 4.398 4.545 . 0 0 "[ . 1 . 2]" 1
763 1 60 VAL HB 1 61 GLU H . . 5.000 4.244 3.332 4.524 . 0 0 "[ . 1 . 2]" 1
764 1 60 VAL MG1 1 61 GLU H . . 5.000 4.194 3.990 4.315 . 0 0 "[ . 1 . 2]" 1
765 1 60 VAL MG2 1 61 GLU H . . 5.000 3.303 2.578 4.222 . 0 0 "[ . 1 . 2]" 1
766 1 60 VAL MG2 1 62 PHE HA . . 5.000 4.239 3.529 5.550 0.550 6 1 "[ .+ 1 . 2]" 1
767 1 60 VAL MG2 1 62 PHE HB3 . . 5.000 4.884 3.981 5.604 0.604 12 5 "[ *.** 1 + . - 2]" 1
768 1 60 VAL MG1 1 62 PHE QD . . 5.000 4.432 2.475 5.502 0.502 5 1 "[ + 1 . 2]" 1
769 1 60 VAL MG2 1 62 PHE QD . . 5.000 3.283 2.330 3.888 . 0 0 "[ . 1 . 2]" 1
770 1 60 VAL MG2 1 62 PHE QE . . 5.000 4.324 2.225 5.575 0.575 20 8 "[* * * 1* **- +]" 1
771 1 61 GLU HA 1 62 PHE H . . 2.900 2.170 2.071 2.367 . 0 0 "[ . 1 . 2]" 1
772 1 61 GLU HB3 1 62 PHE H . . 5.000 3.870 3.490 4.457 . 0 0 "[ . 1 . 2]" 1
773 1 61 GLU QB 1 63 LEU MD1 . . 5.000 4.430 3.314 5.240 0.240 6 0 "[ . 1 . 2]" 1
774 1 61 GLU QB 1 63 LEU MD2 . . 5.000 3.028 2.355 3.563 . 0 0 "[ . 1 . 2]" 1
775 1 61 GLU HG3 1 62 PHE H . . 5.000 5.026 3.771 5.654 0.654 18 2 "[ . 1 - . + 2]" 1
776 1 61 GLU HG3 1 63 LEU QD . . 5.000 5.043 3.213 5.585 0.585 20 7 "[* .-* ** *. +]" 1
777 1 62 PHE H 1 62 PHE QD . . 5.000 3.670 2.498 4.296 . 0 0 "[ . 1 . 2]" 1
778 1 62 PHE HA 1 62 PHE QE . . 5.000 4.598 4.421 4.774 . 0 0 "[ . 1 . 2]" 1
779 1 62 PHE HA 1 63 LEU H . . 3.500 2.207 2.146 2.265 . 0 0 "[ . 1 . 2]" 1
780 1 62 PHE HA 1 63 LEU HG . . 5.000 4.456 3.884 5.195 0.195 16 0 "[ . 1 . 2]" 1
781 1 62 PHE HB3 1 63 LEU H . . 5.000 3.983 3.022 4.444 . 0 0 "[ . 1 . 2]" 1
782 1 62 PHE QD 1 63 LEU H . . 5.000 3.927 3.519 4.251 . 0 0 "[ . 1 . 2]" 1
783 1 62 PHE QD 1 63 LEU HA . . 5.000 4.844 3.582 5.677 0.677 6 4 "[ *.+* -1 . 2]" 1
784 1 63 LEU H 1 63 LEU HG . . 5.000 2.663 2.178 3.256 . 0 0 "[ . 1 . 2]" 1
785 1 63 LEU H 1 63 LEU QD . . 5.000 2.416 1.746 3.405 . 0 0 "[ . 1 . 2]" 1
786 1 63 LEU HA 1 64 TYR H . . 3.500 2.224 2.107 2.621 . 0 0 "[ . 1 . 2]" 1
787 1 63 LEU HA 1 64 TYR QD . . 5.000 3.993 3.235 5.068 0.068 4 0 "[ . 1 . 2]" 1
788 1 63 LEU HB3 1 64 TYR H . . 5.000 3.528 1.967 4.456 . 0 0 "[ . 1 . 2]" 1
789 1 63 LEU QB 1 64 TYR QD . . 5.000 3.694 2.333 5.041 0.041 2 0 "[ . 1 . 2]" 1
790 1 63 LEU QB 1 65 PHE QD . . 5.000 3.759 1.851 5.325 0.325 4 0 "[ . 1 . 2]" 1
791 1 63 LEU HG 1 64 TYR H . . 5.000 4.757 3.691 5.258 0.258 20 0 "[ . 1 . 2]" 1
792 1 63 LEU HG 1 65 PHE H . . 5.000 5.073 3.764 5.619 0.619 13 5 "[* * *- + . 2]" 1
793 1 63 LEU QD 1 64 TYR H . . 5.000 3.883 3.289 4.597 . 0 0 "[ . 1 . 2]" 1
794 1 63 LEU QD 1 64 TYR QD . . 5.000 3.487 2.205 4.605 . 0 0 "[ . 1 . 2]" 1
795 1 63 LEU QD 1 64 TYR QE . . 5.000 3.746 2.068 5.557 0.557 20 2 "[ - . 1 . +]" 1
796 1 63 LEU QD 1 65 PHE H . . 5.000 4.364 3.579 4.979 . 0 0 "[ . 1 . 2]" 1
797 1 64 TYR H 1 64 TYR QD . . 5.000 2.900 1.690 3.767 . 0 0 "[ . 1 . 2]" 1
798 1 64 TYR H 1 64 TYR QE . . 5.000 4.477 3.786 5.068 0.068 4 0 "[ . 1 . 2]" 1
799 1 64 TYR H 1 65 PHE H . . 2.900 2.916 2.534 3.264 0.364 4 0 "[ . 1 . 2]" 1
800 1 64 TYR HA 1 65 PHE H . . 5.000 3.168 2.772 3.532 . 0 0 "[ . 1 . 2]" 1
801 1 64 TYR HB3 1 65 PHE H . . 5.000 4.356 3.756 4.668 . 0 0 "[ . 1 . 2]" 1
802 1 64 TYR QD 1 65 PHE H . . 5.000 4.534 3.607 4.974 . 0 0 "[ . 1 . 2]" 1
803 1 65 PHE H 1 65 PHE QD . . 5.000 2.633 1.794 3.520 . 0 0 "[ . 1 . 2]" 1
804 1 65 PHE HA 1 66 MET H . . 3.500 2.652 2.121 3.494 . 0 0 "[ . 1 . 2]" 1
805 1 65 PHE HA 1 66 MET HA . . 5.000 4.551 4.271 4.971 . 0 0 "[ . 1 . 2]" 1
806 1 65 PHE HB3 1 66 MET H . . 5.000 3.895 2.327 4.540 . 0 0 "[ . 1 . 2]" 1
807 1 65 PHE QD 1 66 MET H . . 5.000 4.253 3.056 4.977 . 0 0 "[ . 1 . 2]" 1
808 1 66 MET H 1 66 MET HG3 . . 5.000 3.564 2.244 5.185 0.185 19 0 "[ . 1 . 2]" 1
809 1 66 MET H 1 67 GLY H . . 5.000 3.995 1.983 4.632 . 0 0 "[ . 1 . 2]" 1
810 1 66 MET HA 1 67 GLY H . . 5.000 2.472 2.152 3.524 . 0 0 "[ . 1 . 2]" 1
811 1 66 MET HA 1 67 GLY QA . . 5.000 4.011 3.915 4.265 . 0 0 "[ . 1 . 2]" 1
812 1 66 MET HB3 1 67 GLY H . . 5.000 3.652 1.945 4.444 . 0 0 "[ . 1 . 2]" 1
813 1 67 GLY H 1 68 GLY QA . . 3.500 3.824 3.523 3.964 0.464 2 0 "[ . 1 . 2]" 1
814 1 67 GLY QA 1 68 GLY H . . 2.900 2.708 2.210 2.918 0.018 15 0 "[ . 1 . 2]" 1
815 1 68 GLY QA 1 69 GLY H . . 3.500 2.461 2.120 2.951 . 0 0 "[ . 1 . 2]" 1
816 1 68 GLY QA 1 70 LYS H . . 5.000 3.745 3.180 5.109 0.109 18 0 "[ . 1 . 2]" 1
817 1 69 GLY QA 1 70 LYS H . . 3.500 2.613 2.160 2.940 . 0 0 "[ . 1 . 2]" 1
818 1 70 LYS H 1 70 LYS QG . . 5.000 3.387 1.793 4.271 . 0 0 "[ . 1 . 2]" 1
819 1 70 LYS HA 1 70 LYS QD . . 5.000 3.839 1.953 4.293 . 0 0 "[ . 1 . 2]" 1
820 1 70 LYS HA 1 71 LEU H . . 2.900 2.266 2.126 2.931 0.031 20 0 "[ . 1 . 2]" 1
821 1 70 LYS HA 1 71 LEU QD . . 5.000 3.966 2.684 5.278 0.278 9 0 "[ . 1 . 2]" 1
822 1 70 LYS HB3 1 71 LEU H . . 5.000 3.882 1.996 4.499 . 0 0 "[ . 1 . 2]" 1
823 1 71 LEU H 1 71 LEU HG . . 5.000 3.428 1.836 4.850 . 0 0 "[ . 1 . 2]" 1
824 1 71 LEU HA 1 72 GLU H . . 2.900 2.472 2.149 3.436 0.536 13 1 "[ . 1 + . 2]" 1
825 1 71 LEU QB 1 72 GLU H . . 5.000 3.186 1.911 4.047 . 0 0 "[ . 1 . 2]" 1
826 1 72 GLU HA 1 73 HIS H . . 5.000 2.616 2.137 3.585 . 0 0 "[ . 1 . 2]" 1
827 1 73 HIS H 1 74 HIS H . . 5.000 3.756 1.933 4.640 . 0 0 "[ . 1 . 2]" 1
828 1 73 HIS HA 1 74 HIS H . . 5.000 2.603 2.133 3.593 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 110
_Distance_constraint_stats_list.Viol_count 84
_Distance_constraint_stats_list.Viol_total 205.689
_Distance_constraint_stats_list.Viol_max 0.662
_Distance_constraint_stats_list.Viol_rms 0.0435
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.1224
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.113 0.027 16 0 "[ . 1 . 2]"
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.055 0.024 7 0 "[ . 1 . 2]"
1 5 VAL 0.645 0.520 13 1 "[ . 1 + . 2]"
1 6 ASN 0.096 0.062 14 0 "[ . 1 . 2]"
1 7 GLY 0.079 0.042 15 0 "[ . 1 . 2]"
1 8 LYS 0.202 0.059 11 0 "[ . 1 . 2]"
1 9 PRO 1.477 0.361 15 0 "[ . 1 . 2]"
1 10 SER 4.489 0.603 17 2 "[ . 1 - . + 2]"
1 11 THR 2.551 0.603 17 1 "[ . 1 . + 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 4.122 0.662 16 5 "[ .* 1 -+ **]"
1 18 LEU 4.374 0.662 16 5 "[ .* 1 -+ **]"
1 19 ASN 0.272 0.063 18 0 "[ . 1 . 2]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.251 0.053 12 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.143 0.039 18 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 0.008 0.008 14 0 "[ . 1 . 2]"
1 34 TYR 0.151 0.039 18 0 "[ . 1 . 2]"
1 38 GLU 0.405 0.084 14 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.338 0.084 14 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.067 0.029 4 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 THR 0.272 0.063 18 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.083 0.037 16 0 "[ . 1 . 2]"
1 56 ASP 0.068 0.037 16 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.143 0.063 19 0 "[ . 1 . 2]"
1 62 PHE 0.159 0.063 19 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 56 ASP HB3 5.000 . 5.500 4.769 3.942 5.494 . 0 0 "[ . 1 . 2]" 2
2 1 1 MET HB2 1 2 ASN H 5.000 . 5.500 2.761 2.264 3.219 . 0 0 "[ . 1 . 2]" 2
3 1 1 MET HB2 1 56 ASP H 5.000 . 5.500 3.425 2.360 3.910 . 0 0 "[ . 1 . 2]" 2
4 1 1 MET HB2 1 56 ASP HA 5.000 . 5.500 2.041 1.773 2.406 0.027 16 0 "[ . 1 . 2]" 2
5 1 1 MET HB3 1 56 ASP HB3 5.000 . 5.500 4.852 4.511 5.299 . 0 0 "[ . 1 . 2]" 2
6 1 1 MET HB2 1 56 ASP HB2 5.000 . 5.500 2.815 2.266 3.445 . 0 0 "[ . 1 . 2]" 2
7 1 1 MET HB2 1 56 ASP HB3 5.000 . 5.500 4.178 3.766 4.626 . 0 0 "[ . 1 . 2]" 2
8 1 1 MET HG2 1 2 ASN H 5.000 . 5.500 4.755 3.723 5.145 . 0 0 "[ . 1 . 2]" 2
9 1 1 MET HG2 1 3 LEU HG 5.000 . 5.500 4.225 3.473 5.524 0.024 7 0 "[ . 1 . 2]" 2
10 1 1 MET HG2 1 12 VAL H 5.000 . 5.500 4.385 3.835 5.238 . 0 0 "[ . 1 . 2]" 2
11 1 1 MET HG2 1 55 LYS HA 5.000 . 5.500 5.218 4.760 5.526 0.026 6 0 "[ . 1 . 2]" 2
12 1 2 ASN H 1 56 ASP HB3 5.000 . 5.500 4.465 4.076 4.696 . 0 0 "[ . 1 . 2]" 2
13 1 3 LEU H 1 10 SER HB3 5.000 . 5.500 4.269 3.443 5.510 0.010 10 0 "[ . 1 . 2]" 2
14 1 3 LEU QB 1 10 SER HB3 5.000 . 5.500 3.844 2.835 4.862 . 0 0 "[ . 1 . 2]" 2
15 1 5 VAL H 1 8 LYS HB2 5.000 . 5.500 3.944 2.867 4.430 . 0 0 "[ . 1 . 2]" 2
16 1 5 VAL H 1 10 SER HB3 5.000 . 5.500 4.030 2.769 5.287 . 0 0 "[ . 1 . 2]" 2
17 1 5 VAL HB 1 10 SER HB3 5.000 . 5.500 4.404 2.578 6.020 0.520 13 1 "[ . 1 + . 2]" 2
18 1 6 ASN HD21 1 62 PHE HB2 5.000 . 5.500 4.580 2.751 5.525 0.025 18 0 "[ . 1 . 2]" 2
19 1 6 ASN HD22 1 62 PHE HB2 5.000 . 5.500 3.761 2.651 5.562 0.062 14 0 "[ . 1 . 2]" 2
20 1 7 GLY H 1 61 GLU HG2 5.000 . 5.500 4.028 2.996 5.542 0.042 15 0 "[ . 1 . 2]" 2
21 1 7 GLY HA2 1 8 LYS H 5.000 . 5.500 3.259 3.072 3.389 . 0 0 "[ . 1 . 2]" 2
22 1 8 LYS H 1 8 LYS HG2 5.000 . 5.500 3.996 2.770 4.453 . 0 0 "[ . 1 . 2]" 2
23 1 8 LYS H 1 9 PRO HD2 5.000 . 5.500 5.096 4.864 5.292 . 0 0 "[ . 1 . 2]" 2
24 1 8 LYS HA 1 9 PRO HG2 5.000 . 5.500 4.444 4.289 4.597 . 0 0 "[ . 1 . 2]" 2
25 1 8 LYS HA 1 9 PRO HD2 5.000 . 5.500 2.437 2.085 2.640 . 0 0 "[ . 1 . 2]" 2
26 1 8 LYS HB3 1 9 PRO HD2 5.000 . 5.500 3.168 2.133 3.889 . 0 0 "[ . 1 . 2]" 2
27 1 8 LYS HB2 1 9 PRO HD3 5.000 . 5.500 4.832 4.670 5.126 . 0 0 "[ . 1 . 2]" 2
28 1 8 LYS HB2 1 9 PRO HD2 5.000 . 5.500 4.485 3.626 4.981 . 0 0 "[ . 1 . 2]" 2
29 1 8 LYS HG3 1 9 PRO HD2 5.000 . 5.500 4.551 3.561 5.559 0.059 11 0 "[ . 1 . 2]" 2
30 1 8 LYS HG2 1 9 PRO HD3 5.000 . 5.500 5.106 4.477 5.522 0.022 14 0 "[ . 1 . 2]" 2
31 1 8 LYS HG2 1 9 PRO HD2 5.000 . 5.500 4.639 3.477 5.510 0.010 10 0 "[ . 1 . 2]" 2
32 1 9 PRO HA 1 10 SER HB3 5.000 . 5.500 4.945 4.437 5.861 0.361 15 0 "[ . 1 . 2]" 2
33 1 9 PRO HB2 1 10 SER H 5.000 . 5.500 3.929 3.227 4.348 . 0 0 "[ . 1 . 2]" 2
34 1 10 SER H 1 10 SER HB3 3.500 . 3.850 2.978 2.495 3.858 0.008 4 0 "[ . 1 . 2]" 2
35 1 10 SER HB3 1 11 THR H 3.500 . 3.850 3.774 3.118 4.453 0.603 17 1 "[ . 1 . + 2]" 2
36 1 12 VAL HA 1 13 ASP HB2 5.000 . 5.500 4.474 4.209 4.698 . 0 0 "[ . 1 . 2]" 2
37 1 13 ASP H 1 13 ASP HB2 3.500 . 3.850 2.613 2.295 3.115 . 0 0 "[ . 1 . 2]" 2
38 1 13 ASP HB2 1 14 GLY H 5.000 . 5.500 4.016 3.741 4.402 . 0 0 "[ . 1 . 2]" 2
39 1 14 GLY HA2 1 15 ALA H 5.000 . 5.500 3.326 2.934 3.575 . 0 0 "[ . 1 . 2]" 2
40 1 16 GLU HB2 1 17 SER H 5.000 . 5.500 3.426 1.892 4.618 . 0 0 "[ . 1 . 2]" 2
41 1 17 SER HB2 1 18 LEU H 3.500 . 3.850 3.812 2.833 4.512 0.662 16 5 "[ .* 1 -+ **]" 2
42 1 18 LEU HB3 1 19 ASN H 5.000 . 5.500 3.383 2.598 3.708 . 0 0 "[ . 1 . 2]" 2
43 1 18 LEU HB3 1 23 LEU H 5.000 . 5.500 4.835 2.966 5.553 0.053 12 0 "[ . 1 . 2]" 2
44 1 19 ASN H 1 22 GLU HB2 5.000 . 5.500 2.881 2.165 3.632 . 0 0 "[ . 1 . 2]" 2
45 1 19 ASN HB2 1 20 VAL H 5.000 . 5.500 2.958 2.248 3.724 . 0 0 "[ . 1 . 2]" 2
46 1 19 ASN HB2 1 21 THR H 5.000 . 5.500 3.143 2.811 3.503 . 0 0 "[ . 1 . 2]" 2
47 1 19 ASN HB2 1 52 THR H 5.000 . 5.500 4.768 3.475 5.563 0.063 18 0 "[ . 1 . 2]" 2
48 1 19 ASN HB2 1 53 THR HA 5.000 . 5.500 4.297 2.989 5.242 . 0 0 "[ . 1 . 2]" 2
49 1 20 VAL HA 1 23 LEU HB2 5.000 . 5.500 2.886 2.512 3.629 . 0 0 "[ . 1 . 2]" 2
50 1 20 VAL HB 1 49 PHE HB2 5.000 . 5.500 3.886 3.631 4.334 . 0 0 "[ . 1 . 2]" 2
51 1 21 THR H 1 49 PHE HB2 5.000 . 5.500 4.020 3.354 4.571 . 0 0 "[ . 1 . 2]" 2
52 1 21 THR HA 1 24 LEU HB2 5.000 . 5.500 3.234 2.626 5.184 . 0 0 "[ . 1 . 2]" 2
53 1 22 GLU H 1 22 GLU HB2 3.500 . 3.850 2.428 2.114 2.803 . 0 0 "[ . 1 . 2]" 2
54 1 22 GLU H 1 22 GLU HG2 5.000 . 5.500 2.951 2.023 3.936 . 0 0 "[ . 1 . 2]" 2
55 1 22 GLU HB2 1 23 LEU H 5.000 . 5.500 2.831 2.390 3.491 . 0 0 "[ . 1 . 2]" 2
56 1 23 LEU HB2 1 24 LEU H 5.000 . 5.500 3.629 2.590 3.822 . 0 0 "[ . 1 . 2]" 2
57 1 24 LEU HB2 1 25 SER H 5.000 . 5.500 2.988 2.536 3.972 . 0 0 "[ . 1 . 2]" 2
58 1 28 LYS HB2 1 29 VAL H 5.000 . 5.500 4.499 3.918 4.650 . 0 0 "[ . 1 . 2]" 2
59 1 31 GLN HB2 1 32 ALA H 5.000 . 5.500 4.283 3.463 4.530 . 0 0 "[ . 1 . 2]" 2
60 1 31 GLN HB2 1 34 TYR H 5.000 . 5.500 4.275 3.801 4.680 . 0 0 "[ . 1 . 2]" 2
61 1 31 GLN HB3 1 34 TYR HB2 5.000 . 5.500 2.156 1.775 2.461 0.025 19 0 "[ . 1 . 2]" 2
62 1 31 GLN HB2 1 34 TYR HB3 5.000 . 5.500 4.959 4.004 5.539 0.039 18 0 "[ . 1 . 2]" 2
63 1 31 GLN HB2 1 34 TYR HB2 5.000 . 5.500 3.387 2.495 4.066 . 0 0 "[ . 1 . 2]" 2
64 1 33 GLU H 1 33 GLU HG2 5.000 . 5.500 3.704 2.122 4.681 . 0 0 "[ . 1 . 2]" 2
65 1 33 GLU HG2 1 34 TYR H 5.000 . 5.500 4.257 2.201 5.508 0.008 14 0 "[ . 1 . 2]" 2
66 1 38 GLU H 1 38 GLU HG2 5.000 . 5.500 2.388 1.993 3.119 . 0 0 "[ . 1 . 2]" 2
67 1 38 GLU H 1 61 GLU HB2 5.000 . 5.500 3.247 2.633 5.152 . 0 0 "[ . 1 . 2]" 2
68 1 38 GLU HB2 1 39 LEU H 5.000 . 5.500 3.154 2.334 3.940 . 0 0 "[ . 1 . 2]" 2
69 1 38 GLU HB2 1 42 GLU H 5.000 . 5.500 2.855 1.955 3.767 . 0 0 "[ . 1 . 2]" 2
70 1 38 GLU HB2 1 43 VAL H 5.000 . 5.500 3.586 3.201 4.099 . 0 0 "[ . 1 . 2]" 2
71 1 38 GLU HB2 1 43 VAL HA 5.000 . 5.500 3.006 2.448 3.514 . 0 0 "[ . 1 . 2]" 2
72 1 38 GLU HB2 1 44 LEU H 5.000 . 5.500 4.962 4.043 5.529 0.029 4 0 "[ . 1 . 2]" 2
73 1 38 GLU HG2 1 41 GLY H 5.000 . 5.500 4.445 2.443 5.367 . 0 0 "[ . 1 . 2]" 2
74 1 38 GLU HG2 1 42 GLU H 5.000 . 5.500 5.186 3.992 5.584 0.084 14 0 "[ . 1 . 2]" 2
75 1 39 LEU HB2 1 40 ASN H 5.000 . 5.500 4.158 3.066 4.633 . 0 0 "[ . 1 . 2]" 2
76 1 41 GLY HA2 1 42 GLU H 5.000 . 5.500 3.185 2.653 3.553 . 0 0 "[ . 1 . 2]" 2
77 1 42 GLU H 1 42 GLU HB2 3.500 . 3.850 2.988 2.470 3.392 . 0 0 "[ . 1 . 2]" 2
78 1 42 GLU H 1 42 GLU HG2 5.000 . 5.500 4.449 3.527 4.790 . 0 0 "[ . 1 . 2]" 2
79 1 42 GLU HB2 1 43 VAL H 5.000 . 5.500 4.364 4.161 4.529 . 0 0 "[ . 1 . 2]" 2
80 1 42 GLU HG2 1 43 VAL H 5.000 . 5.500 3.850 3.116 5.162 . 0 0 "[ . 1 . 2]" 2
81 1 44 LEU HB2 1 45 GLU H 5.000 . 5.500 3.932 3.438 4.284 . 0 0 "[ . 1 . 2]" 2
82 1 45 GLU H 1 45 GLU HG2 5.000 . 5.500 4.267 3.463 4.643 . 0 0 "[ . 1 . 2]" 2
83 1 45 GLU HB2 1 46 ARG H 5.000 . 5.500 3.905 3.538 4.227 . 0 0 "[ . 1 . 2]" 2
84 1 45 GLU HB2 1 47 GLU H 5.000 . 5.500 4.357 2.982 5.293 . 0 0 "[ . 1 . 2]" 2
85 1 45 GLU HB2 1 48 ALA H 5.000 . 5.500 3.854 1.833 5.267 . 0 0 "[ . 1 . 2]" 2
86 1 45 GLU HG2 1 46 ARG H 5.000 . 5.500 3.597 2.137 4.908 . 0 0 "[ . 1 . 2]" 2
87 1 45 GLU HG2 1 47 GLU H 5.000 . 5.500 3.992 1.907 5.413 . 0 0 "[ . 1 . 2]" 2
88 1 46 ARG HB2 1 47 GLU H 5.000 . 5.500 3.197 2.326 4.074 . 0 0 "[ . 1 . 2]" 2
89 1 47 GLU H 1 47 GLU HG2 5.000 . 5.500 3.554 1.925 4.605 . 0 0 "[ . 1 . 2]" 2
90 1 47 GLU HG2 1 48 ALA H 5.000 . 5.500 4.289 2.703 5.278 . 0 0 "[ . 1 . 2]" 2
91 1 49 PHE HB2 1 50 ASP H 5.000 . 5.500 2.764 2.551 3.031 . 0 0 "[ . 1 . 2]" 2
92 1 55 LYS H 1 55 LYS HG2 5.000 . 5.500 3.179 2.074 4.318 . 0 0 "[ . 1 . 2]" 2
93 1 55 LYS H 1 58 ASP HB2 5.000 . 5.500 3.092 2.556 3.803 . 0 0 "[ . 1 . 2]" 2
94 1 55 LYS HA 1 56 ASP HB3 5.000 . 5.500 5.198 4.666 5.537 0.037 16 0 "[ . 1 . 2]" 2
95 1 55 LYS HB2 1 56 ASP H 5.000 . 5.500 2.559 1.820 4.059 . 0 0 "[ . 1 . 2]" 2
96 1 55 LYS HG2 1 56 ASP H 5.000 . 5.500 4.202 2.766 5.234 . 0 0 "[ . 1 . 2]" 2
97 1 56 ASP H 1 56 ASP HB3 3.500 . 3.850 2.646 2.491 3.681 . 0 0 "[ . 1 . 2]" 2
98 1 56 ASP HB3 1 57 GLY H 5.000 . 5.500 4.228 3.882 4.506 . 0 0 "[ . 1 . 2]" 2
99 1 57 GLY H 1 58 ASP HB2 5.000 . 5.500 4.449 3.821 4.909 . 0 0 "[ . 1 . 2]" 2
100 1 57 GLY HA2 1 58 ASP H 5.000 . 5.500 2.860 2.556 3.252 . 0 0 "[ . 1 . 2]" 2
101 1 58 ASP HB2 1 59 ALA H 5.000 . 5.500 3.998 3.706 4.334 . 0 0 "[ . 1 . 2]" 2
102 1 61 GLU HB2 1 62 PHE H 5.000 . 5.500 4.445 4.313 4.586 . 0 0 "[ . 1 . 2]" 2
103 1 61 GLU HG2 1 62 PHE H 5.000 . 5.500 4.657 4.043 5.563 0.063 19 0 "[ . 1 . 2]" 2
104 1 62 PHE HB2 1 63 LEU H 5.000 . 5.500 4.479 4.203 4.663 . 0 0 "[ . 1 . 2]" 2
105 1 63 LEU HB2 1 64 TYR H 5.000 . 5.500 3.552 2.265 4.196 . 0 0 "[ . 1 . 2]" 2
106 1 64 TYR HB2 1 65 PHE H 5.000 . 5.500 3.908 2.844 4.519 . 0 0 "[ . 1 . 2]" 2
107 1 65 PHE HB2 1 66 MET H 5.000 . 5.500 3.895 2.616 4.538 . 0 0 "[ . 1 . 2]" 2
108 1 66 MET H 1 66 MET HG2 5.000 . 5.500 3.928 2.328 5.320 . 0 0 "[ . 1 . 2]" 2
109 1 66 MET HB2 1 67 GLY H 5.000 . 5.500 3.827 1.953 4.607 . 0 0 "[ . 1 . 2]" 2
110 1 70 LYS HB2 1 71 LEU H 5.000 . 5.500 4.106 2.930 4.605 . 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 32
_Distance_constraint_stats_list.Viol_count 640
_Distance_constraint_stats_list.Viol_total 7617.063
_Distance_constraint_stats_list.Viol_max 3.148
_Distance_constraint_stats_list.Viol_rms 0.3473
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5951
_Distance_constraint_stats_list.Viol_average_violations_only 0.5951
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 22.787 1.156 4 15 "[** +** **1* *-*****2]"
1 3 LEU 36.335 1.306 1 12 "[+* ** * 1*** * * *-]"
1 4 THR 66.706 2.930 17 20 [****************+*-*]
1 5 VAL 37.333 0.782 7 15 "[******+**1* - ****]"
1 8 LYS 37.333 0.782 7 15 "[******+**1* - ****]"
1 10 SER 36.335 1.306 1 12 "[+* ** * 1*** * * *-]"
1 12 VAL 22.787 1.156 4 15 "[** +** **1* *-*****2]"
1 18 LEU 49.194 2.708 6 19 [*****+***1***-******]
1 19 ASN 21.749 0.899 14 11 "[*** . ** *** +* -2]"
1 20 VAL 47.194 1.533 2 18 "[*+**. **-***********]"
1 21 THR 59.275 1.652 19 20 [*************-****+*]
1 22 GLU 18.212 0.721 11 8 "[ ** * 1+ * -* *2]"
1 23 LEU 21.749 0.899 14 11 "[*** . ** *** +* -2]"
1 24 LEU 19.572 0.733 20 8 "[ * . -1 *.****+]"
1 25 SER 27.138 1.331 8 14 "[*** ***+*1** .*- **]"
1 26 ALA 18.212 0.721 11 8 "[ ** * 1+ * -* *2]"
1 40 ASN 22.070 3.148 6 5 "[- * .+ 1* . * 2]"
1 49 PHE 32.137 1.652 19 20 [*************-****+*]
1 52 THR 27.622 1.533 2 16 "[*+**. ** ***- ******]"
1 54 VAL 49.194 2.708 6 19 [*****+***1***-******]
1 58 ASP 19.919 1.164 16 6 "[ * *.* 1 *+ -2]"
1 59 ALA 22.070 3.148 6 5 "[- * .+ 1* . * 2]"
1 60 VAL 46.787 2.930 17 18 "[***** *-******.*+***]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET O 1 12 VAL N . . 2.400 2.919 2.715 3.257 0.857 8 12 "[** ** +*1 *-* ***2]" 3
2 1 1 MET O 1 12 VAL H . . 1.500 2.120 1.845 2.656 1.156 4 14 "[** +** *-1* * *****2]" 3
3 1 3 LEU O 1 10 SER N . . 2.400 2.822 2.648 3.562 1.162 1 2 "[+ - 1 . 2]" 3
4 1 3 LEU O 1 10 SER H . . 1.500 1.951 1.802 2.806 1.306 1 1 "[+ . 1 . 2]" 3
5 1 4 THR O 1 60 VAL N . . 2.400 3.299 2.720 4.141 1.741 17 15 "[*** * *-*** **.*+* *]" 3
6 1 4 THR O 1 60 VAL H . . 1.500 2.940 1.924 4.430 2.930 17 18 "[***-* ********.*+***]" 3
7 1 5 VAL O 1 8 LYS N . . 2.400 2.856 2.756 3.069 0.669 19 6 "[** . * 1 - *+2]" 3
8 1 5 VAL O 1 8 LYS H . . 1.500 1.951 1.847 2.161 0.661 19 4 "[* . 1 - *+2]" 3
9 1 5 VAL N 1 8 LYS O . . 2.400 2.798 2.598 3.121 0.721 6 4 "[* *.+ 1- . 2]" 3
10 1 5 VAL H 1 8 LYS O . . 1.500 2.062 1.852 2.282 0.782 7 10 "[*** **+ *1* . * -]" 3
11 1 3 LEU N 1 10 SER O . . 2.400 2.871 2.711 3.153 0.753 4 8 "[ * +. 1*** * * -2]" 3
12 1 3 LEU H 1 10 SER O . . 1.500 1.974 1.827 2.336 0.836 4 6 "[ +. * 1 ** * -]" 3
13 1 18 LEU O 1 54 VAL N . . 2.400 2.704 2.603 2.882 0.482 6 0 "[ . 1 . 2]" 3
14 1 18 LEU O 1 54 VAL H . . 1.500 1.881 1.803 1.955 0.455 1 0 "[ . 1 . 2]" 3
15 1 19 ASN O 1 23 LEU N . . 2.400 2.958 2.719 3.299 0.899 14 11 "[-** . ** *** +* *2]" 3
16 1 19 ASN O 1 23 LEU H . . 1.500 2.029 1.828 2.391 0.891 14 11 "[*** . ** *** +* -2]" 3
17 1 20 VAL O 1 24 LEU N . . 2.400 2.912 2.775 3.133 0.733 20 8 "[ * . *1 *.*-**+]" 3
18 1 20 VAL O 1 24 LEU H . . 1.500 1.967 1.813 2.214 0.714 20 7 "[ * . -1 *.* **+]" 3
19 1 21 THR O 1 25 SER N . . 2.400 3.066 2.785 3.589 1.189 8 14 "[*** ***+*1** .*- **]" 3
20 1 21 THR O 1 25 SER H . . 1.500 2.191 1.904 2.831 1.331 8 14 "[*** ***+*1** .*- **]" 3
21 1 22 GLU O 1 26 ALA N . . 2.400 2.833 2.684 3.078 0.678 8 6 "[ ** + 1* .* -2]" 3
22 1 22 GLU O 1 26 ALA H . . 1.500 1.977 1.851 2.221 0.721 11 8 "[ ** * 1+ * -* *2]" 3
23 1 21 THR N 1 49 PHE O . . 2.400 3.212 2.930 4.052 1.652 19 20 [****-*************+*] 3
24 1 21 THR H 1 49 PHE O . . 1.500 2.295 1.976 3.148 1.648 19 18 "[****.********-*** +*]" 3
25 1 20 VAL N 1 52 THR O . . 2.400 3.069 2.832 3.793 1.393 2 15 "[*+**. ** ***- ** ***]" 3
26 1 20 VAL H 1 52 THR O . . 1.500 2.212 1.965 3.033 1.533 2 16 "[*+**. ** **** **-***]" 3
27 1 18 LEU N 1 54 VAL O . . 2.400 3.253 2.887 4.525 2.125 6 18 "[*****+** 1***-******]" 3
28 1 18 LEU H 1 54 VAL O . . 1.500 2.422 1.949 4.208 2.708 6 17 "[*-***+***1* ***** **]" 3
29 1 4 THR N 1 58 ASP O . . 2.400 2.877 2.718 3.424 1.024 16 5 "[ *.* 1 *+ -2]" 3
30 1 4 THR H 1 58 ASP O . . 1.500 2.019 1.814 2.664 1.164 16 6 "[ * *.* 1 -+ *2]" 3
31 1 40 ASN N 1 59 ALA O . . 2.400 2.933 2.593 5.104 2.704 6 4 "[- .+ 1* . * 2]" 3
32 1 40 ASN H 1 59 ALA O . . 1.500 2.070 1.814 4.648 3.148 6 4 "[* * .+ 1- . 2]" 3
stop_
save_
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