NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588940 |
2mg4   |
19585 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mg4
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 2186
_Distance_constraint_stats_list.Viol_count 3018
_Distance_constraint_stats_list.Viol_total 12986.905
_Distance_constraint_stats_list.Viol_max 3.434
_Distance_constraint_stats_list.Viol_rms 0.2209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0594
_Distance_constraint_stats_list.Viol_average_violations_only 0.4303
_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 0.160 0.160 9 0 "[ . 1]"
1 2 GLU 4.692 0.786 10 4 "[ * . -*+]"
1 3 LYS 5.619 0.947 6 2 "[ .+ -]"
1 4 ARG 23.535 2.199 3 8 "[ +-******]"
1 5 PRO 8.140 0.754 7 3 "[ -* + 1]"
1 6 ARG 9.144 0.754 7 4 "[ ** + -1]"
1 7 THR 42.348 2.659 6 10 [***-*+****]
1 8 GLU 22.123 1.905 5 8 "[*-* +* ***]"
1 9 PHE 42.757 2.199 3 10 [-*+*******]
1 10 SER 3.859 0.678 6 1 "[ .+ 1]"
1 11 GLU 6.399 0.946 2 5 "[ + ** *-1]"
1 12 GLU 21.457 2.256 4 6 "[* *+.** *]"
1 13 GLN 14.099 1.039 4 8 "[ *-+*** **]"
1 14 LYS 9.442 0.842 5 2 "[ + -]"
1 15 LYS 13.569 0.955 6 4 "[ -+** 1]"
1 16 ALA 28.437 1.730 9 8 "[ ** -***+*]"
1 17 LEU 28.275 0.970 2 8 "[-+* ** ***]"
1 18 ASP 5.317 1.425 7 1 "[ . + 1]"
1 19 LEU 20.528 3.434 9 9 "[* *****-+*]"
1 20 ALA 44.887 2.381 9 9 [******-*+1]
1 21 PHE 27.371 2.833 4 6 "[ **+.-** 1]"
1 23 PHE 0.792 0.234 5 0 "[ . 1]"
1 24 ASP 19.643 2.094 6 8 "[*-***+* *1]"
1 25 ARG 2.577 0.468 4 0 "[ . 1]"
1 26 ARG 4.629 2.204 9 1 "[ . +1]"
1 27 LEU 48.529 2.094 6 10 [***-*+****]
1 28 THR 8.776 0.919 6 4 "[ - *.+ *1]"
1 29 PRO 2.100 0.919 6 1 "[ .+ 1]"
1 30 GLU 3.118 0.539 2 1 "[ + . 1]"
1 31 TRP 6.610 1.803 9 4 "[ ** . - +1]"
1 32 ARG 31.177 2.071 9 10 [*-******+*]
1 33 ARG 7.565 0.694 7 2 "[ -. + 1]"
1 34 TYR 14.804 0.748 2 7 "[ +* - ****]"
1 35 LEU 19.666 1.825 4 8 "[***+**- *1]"
1 36 SER 44.153 1.917 1 10 [+**-******]
1 37 GLN 6.089 0.484 9 0 "[ . 1]"
1 38 ARG 5.586 1.296 2 3 "[-+ .* 1]"
1 39 LEU 64.399 1.969 5 10 [****+*-***]
1 40 GLY 2.675 1.548 5 2 "[ -+ 1]"
1 41 LEU 22.889 1.905 5 10 [-***+*****]
1 42 ASN 8.798 1.182 6 6 "[*** -+ *]"
1 43 GLU 20.462 1.419 4 10 [***+**-***]
1 44 GLU 27.008 2.659 6 10 [****-+****]
1 45 GLN 10.091 1.302 2 4 "[ + . *-*]"
1 46 ILE 72.849 1.917 1 10 [+-********]
1 47 GLU 14.697 0.877 10 5 "[*- *. *+]"
1 48 ARG 16.992 2.253 6 5 "[** .+* -]"
1 49 TRP 22.956 2.590 7 10 [******+*-*]
1 50 PHE 13.073 1.834 1 7 "[+* *.**-*1]"
1 51 ARG 33.636 2.253 6 10 [*****+****]
1 52 ARG 31.654 1.977 10 10 [******-**+]
1 53 LYS 27.680 2.064 4 8 "[** +**-* *]"
1 54 GLU 34.359 2.833 4 8 "[** +**-* *]"
1 55 GLN 39.385 1.977 10 8 "[ * **-***+]"
1 56 GLN 12.757 1.083 10 7 "[ * *-***+]"
1 57 ILE 49.673 2.781 2 10 [*+*****-**]
1 58 GLY 24.977 1.758 1 9 "[+*-**** **]"
1 59 TRP 27.198 1.963 6 9 "[** **+*-**]"
1 60 SER 37.464 1.758 1 10 [+*-*******]
1 61 HIS 24.659 1.840 6 10 [*****+****]
1 62 PRO 8.771 1.024 3 3 "[ -+*. 1]"
1 63 GLN 12.288 1.915 1 6 "[+* *. -* *]"
1 64 PHE 35.036 2.590 7 9 "[*-* **+***]"
1 65 GLU 7.691 0.914 9 4 "[ -** +1]"
1 66 LYS 5.518 0.851 4 3 "[ +* - 1]"
2 1 MET 0.151 0.151 9 0 "[ . 1]"
2 2 GLU 4.704 0.807 10 5 "[ *-. **+]"
2 3 LYS 5.876 0.955 6 3 "[ -.+ *]"
2 4 ARG 23.606 2.208 3 8 "[ +****-**]"
2 5 PRO 8.062 0.755 7 3 "[ -* + 1]"
2 6 ARG 9.095 0.755 7 4 "[ -* + *1]"
2 7 THR 42.330 2.661 6 10 [*-***+****]
2 8 GLU 24.145 1.909 5 8 "[*-* +* ***]"
2 9 PHE 44.278 2.208 3 10 [**+****-**]
2 10 SER 4.039 0.681 6 1 "[ .+ 1]"
2 11 GLU 6.269 0.951 2 6 "[ + ** **-]"
2 12 GLU 21.178 2.256 4 6 "[* *+.*- *]"
2 13 GLN 14.184 0.996 4 9 "[ **+***-**]"
2 14 LYS 9.524 0.833 5 3 "[ + -*]"
2 15 LYS 13.395 0.947 6 5 "[ -+** *]"
2 16 ALA 28.583 1.765 9 9 "[ *******+*]"
2 17 LEU 28.645 0.976 2 8 "[-+* ** ***]"
2 18 ASP 5.415 1.477 7 2 "[ - . + 1]"
2 19 LEU 8.490 1.209 9 4 "[ -. * +*]"
2 20 ALA 44.710 2.381 9 10 [********+-]
2 21 PHE 17.684 1.838 4 7 "[ **+-*** 1]"
2 23 PHE 0.795 0.234 5 0 "[ . 1]"
2 24 ASP 19.769 2.094 6 8 "[*-***+* *1]"
2 25 ARG 2.555 0.564 10 1 "[ . +]"
2 26 ARG 17.037 3.434 9 9 "[* *****-+*]"
2 27 LEU 48.910 2.094 6 10 [***-*+****]
2 28 THR 8.748 0.889 6 5 "[ - **+ *1]"
2 29 PRO 2.097 0.889 6 1 "[ .+ 1]"
2 30 GLU 3.461 0.565 5 2 "[ - + 1]"
2 31 TRP 6.756 1.802 9 4 "[ ** . - +1]"
2 32 ARG 31.868 2.030 9 10 [*-******+*]
2 33 ARG 7.514 0.691 7 1 "[ . + 1]"
2 34 TYR 15.178 0.747 2 8 "[ +*-* ****]"
2 35 LEU 19.743 1.930 4 8 "[***+**- *1]"
2 36 SER 45.098 1.919 1 10 [+-********]
2 37 GLN 6.042 0.448 9 0 "[ . 1]"
2 38 ARG 5.498 1.218 2 3 "[-+ .* 1]"
2 39 LEU 65.058 1.949 5 10 [***-+*****]
2 40 GLY 2.631 1.554 5 2 "[ -+ 1]"
2 41 LEU 22.892 1.909 5 10 [****+****-]
2 42 ASN 9.004 1.204 1 6 "[+*- ** *]"
2 43 GLU 20.242 1.501 4 10 [***+-*****]
2 44 GLU 26.989 2.661 6 10 [****-+****]
2 45 GLN 10.543 1.313 2 3 "[ + . - *]"
2 46 ILE 73.621 1.919 1 10 [+*****-***]
2 47 GLU 15.220 0.878 10 6 "[*- ** *+]"
2 48 ARG 16.970 2.245 6 5 "[** .+* -]"
2 49 TRP 23.219 2.576 7 10 [-*****+***]
2 50 PHE 12.699 1.834 1 7 "[+* *.**-*1]"
2 51 ARG 33.596 2.245 6 10 [*****+****]
2 52 ARG 31.897 1.975 10 10 [*-*******+]
2 53 LYS 24.176 1.909 1 8 "[+* ***** -]"
2 54 GLU 28.427 2.719 2 8 "[*+ ***** *]"
2 55 GLN 39.256 1.975 10 8 "[ - ******+]"
2 56 GLN 12.916 1.085 10 7 "[ * *-***+]"
2 57 ILE 49.746 2.719 2 10 [*+*****-**]
2 58 GLY 25.006 1.757 1 9 "[+*-**** **]"
2 59 TRP 26.767 1.955 6 9 "[** **+*-**]"
2 60 SER 37.519 1.757 1 10 [+*-*******]
2 61 HIS 24.545 1.830 6 10 [*****+****]
2 62 PRO 8.696 1.016 3 3 "[ -+*. 1]"
2 63 GLN 12.697 1.909 1 5 "[+- *. * *]"
2 64 PHE 33.073 2.576 7 9 "[*-* **+***]"
2 65 GLU 7.776 0.914 7 5 "[ -*+ **]"
2 66 LYS 7.326 0.914 7 5 "[* ** + -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 20 ALA MB 1 34 TYR QD 3.300 . 6.000 5.887 5.646 6.064 0.064 4 0 "[ . 1]" 1
2 2 20 ALA MB 2 34 TYR QD 3.300 . 6.000 5.907 5.647 6.400 0.400 4 0 "[ . 1]" 1
3 1 9 PHE QD 1 48 ARG QD 3.153 . 6.000 6.302 5.345 7.271 1.271 7 3 "[*- . + 1]" 1
4 2 9 PHE QD 2 48 ARG QD 3.153 . 6.000 6.314 5.432 7.259 1.259 7 3 "[*- . + 1]" 1
5 1 49 TRP HD1 1 50 PHE QD 3.259 . 6.000 4.884 3.765 5.851 . 0 0 "[ . 1]" 1
6 2 49 TRP HD1 2 50 PHE QD 3.259 . 6.000 4.885 3.750 5.895 . 0 0 "[ . 1]" 1
7 1 17 LEU HB3 1 49 TRP HD1 3.201 . 4.482 2.434 2.030 3.628 . 0 0 "[ . 1]" 1
8 2 17 LEU HB3 2 49 TRP HD1 3.201 . 4.482 2.452 2.027 3.632 . 0 0 "[ . 1]" 1
9 1 16 ALA MB 2 15 LYS HD2 3.300 . 6.000 5.358 3.879 6.283 0.283 7 0 "[ . 1]" 1
10 1 15 LYS HD2 2 16 ALA MB 3.300 . 6.000 5.366 4.069 6.291 0.291 7 0 "[ . 1]" 1
11 1 32 ARG QB 1 36 SER HB3 2.687 . 6.000 4.911 3.905 6.028 0.028 1 0 "[ . 1]" 1
12 2 32 ARG QB 2 36 SER HB3 2.687 . 6.000 4.928 3.909 6.023 0.023 1 0 "[ . 1]" 1
13 1 36 SER QB 1 46 ILE MD 2.654 . 3.039 3.698 2.938 4.956 1.917 1 4 "[+ .** -1]" 1
14 2 36 SER QB 2 46 ILE MD 2.654 . 3.039 3.729 3.005 4.958 1.919 1 5 "[+ -.** *1]" 1
15 1 57 ILE HA 1 60 SER QB 2.884 . 6.000 6.895 5.650 7.545 1.545 2 8 "[*+**.**- *]" 1
16 2 57 ILE HA 2 60 SER QB 2.884 . 6.000 6.894 5.592 7.559 1.559 2 8 "[*+**.**- *]" 1
17 1 4 ARG HG2 1 5 PRO HA 2.909 . 3.967 4.113 3.517 4.697 0.730 5 2 "[ -+ 1]" 1
18 2 4 ARG HG2 2 5 PRO HA 2.909 . 3.967 4.110 3.517 4.696 0.729 5 2 "[ -+ 1]" 1
19 1 7 THR HA 1 7 THR MG 2.087 . 2.631 2.140 1.952 2.322 . 0 0 "[ . 1]" 1
20 2 7 THR HA 2 7 THR MG 2.087 . 2.631 2.143 1.950 2.323 . 0 0 "[ . 1]" 1
21 1 11 GLU HA 1 14 LYS HB2 2.041 . 2.562 2.090 1.838 2.256 . 0 0 "[ . 1]" 1
22 2 11 GLU HA 2 14 LYS HB2 2.041 . 2.562 2.093 1.885 2.262 . 0 0 "[ . 1]" 1
23 1 44 GLU HA 1 44 GLU QG 2.128 . 6.000 2.564 2.322 2.962 . 0 0 "[ . 1]" 1
24 2 44 GLU HA 2 44 GLU QG 2.128 . 6.000 2.564 2.321 2.962 . 0 0 "[ . 1]" 1
25 1 4 ARG QB 1 7 THR HA 2.405 . 6.000 4.189 3.542 4.544 . 0 0 "[ . 1]" 1
26 2 4 ARG QB 2 7 THR HA 2.405 . 6.000 4.190 3.544 4.549 . 0 0 "[ . 1]" 1
27 1 35 LEU HA 1 37 GLN HB3 2.718 . 3.642 3.652 2.903 4.057 0.415 6 0 "[ . 1]" 1
28 2 35 LEU HA 2 37 GLN HB3 2.718 . 3.642 3.661 2.926 4.048 0.406 6 0 "[ . 1]" 1
29 1 50 PHE HA 1 53 LYS HA 3.023 . 6.000 4.337 4.214 4.536 . 0 0 "[ . 1]" 1
30 2 50 PHE HA 2 53 LYS HA 3.023 . 6.000 4.332 4.197 4.527 . 0 0 "[ . 1]" 1
31 1 28 THR HA 1 47 GLU QG 3.045 . 6.000 6.157 5.860 6.714 0.714 4 1 "[ +. 1]" 1
32 2 28 THR HA 2 47 GLU QG 3.045 . 6.000 6.167 5.827 6.773 0.773 4 1 "[ +. 1]" 1
33 1 15 LYS HA 1 15 LYS QG 2.446 . 3.194 2.290 2.120 2.462 . 0 0 "[ . 1]" 1
34 2 15 LYS HA 2 15 LYS QG 2.446 . 3.194 2.288 2.121 2.457 . 0 0 "[ . 1]" 1
35 1 48 ARG HA 1 52 ARG QB 2.323 . 6.000 4.717 3.959 5.496 . 0 0 "[ . 1]" 1
36 2 48 ARG HA 2 52 ARG QB 2.323 . 6.000 4.727 4.036 5.503 . 0 0 "[ . 1]" 1
37 1 11 GLU HA 1 14 LYS HB2 2.070 . 2.606 2.190 1.899 2.362 . 0 0 "[ . 1]" 1
38 2 11 GLU HA 2 14 LYS HB2 2.070 . 2.606 2.191 1.940 2.357 . 0 0 "[ . 1]" 1
39 1 6 ARG HA 1 6 ARG QB 2.084 . 2.627 2.375 2.188 2.429 . 0 0 "[ . 1]" 1
40 2 6 ARG HA 2 6 ARG QB 2.084 . 2.627 2.374 2.188 2.429 . 0 0 "[ . 1]" 1
41 1 35 LEU HA 1 39 LEU QD 2.809 . 3.795 2.709 1.884 3.785 . 0 0 "[ . 1]" 1
42 2 35 LEU HA 2 39 LEU QD 2.809 . 3.795 2.700 1.833 3.764 . 0 0 "[ . 1]" 1
43 1 59 TRP HA 1 59 TRP HD1 2.616 . 3.471 2.472 2.140 2.683 . 0 0 "[ . 1]" 1
44 2 59 TRP HA 2 59 TRP HD1 2.616 . 3.471 2.468 2.139 2.681 . 0 0 "[ . 1]" 1
45 1 56 GLN H 1 56 GLN HA 2.266 . 2.908 2.719 2.673 2.754 . 0 0 "[ . 1]" 1
46 2 56 GLN H 2 56 GLN HA 2.266 . 2.908 2.716 2.671 2.753 . 0 0 "[ . 1]" 1
47 1 9 PHE QE 1 49 TRP HA 2.712 . 3.631 3.476 2.994 3.898 0.267 5 0 "[ . 1]" 1
48 2 9 PHE QE 2 49 TRP HA 2.712 . 3.631 3.479 2.989 3.886 0.255 5 0 "[ . 1]" 1
49 1 34 TYR H 1 34 TYR HA 2.290 . 2.945 2.674 2.597 2.734 . 0 0 "[ . 1]" 1
50 2 34 TYR H 2 34 TYR HA 2.290 . 2.945 2.674 2.605 2.731 . 0 0 "[ . 1]" 1
51 1 49 TRP HA 1 52 ARG H 2.548 . 3.360 2.488 2.256 2.800 . 0 0 "[ . 1]" 1
52 2 49 TRP HA 2 52 ARG H 2.548 . 3.360 2.500 2.259 2.813 . 0 0 "[ . 1]" 1
53 1 60 SER QB 1 61 HIS H 2.870 . 3.899 3.676 3.085 3.908 0.009 7 0 "[ . 1]" 1
54 2 60 SER QB 2 61 HIS H 2.870 . 3.899 3.675 3.060 3.906 0.007 7 0 "[ . 1]" 1
55 1 46 ILE HA 1 49 TRP QB 3.108 . 4.315 3.371 2.767 3.708 . 0 0 "[ . 1]" 1
56 2 46 ILE HA 2 49 TRP QB 3.108 . 4.315 3.354 2.762 3.674 . 0 0 "[ . 1]" 1
57 1 52 ARG H 1 52 ARG HA 2.362 . 3.059 2.729 2.580 2.779 . 0 0 "[ . 1]" 1
58 2 52 ARG H 2 52 ARG HA 2.362 . 3.059 2.728 2.574 2.780 . 0 0 "[ . 1]" 1
59 1 44 GLU HA 1 45 GLN H 2.613 . 3.466 2.745 2.738 2.757 . 0 0 "[ . 1]" 1
60 2 44 GLU HA 2 45 GLN H 2.613 . 3.466 2.745 2.739 2.757 . 0 0 "[ . 1]" 1
61 1 7 THR HA 1 9 PHE HA 3.014 . 4.149 4.220 4.085 4.383 0.234 5 0 "[ . 1]" 1
62 2 7 THR HA 2 9 PHE HA 3.014 . 4.149 4.218 4.086 4.383 0.234 5 0 "[ . 1]" 1
63 1 9 PHE HA 1 35 LEU QB 3.041 . 6.000 6.496 5.739 7.825 1.825 4 5 "[ *+* - *1]" 1
64 2 9 PHE HA 2 35 LEU QB 3.041 . 6.000 6.514 5.752 7.930 1.930 4 5 "[ *+* - *1]" 1
65 1 19 LEU QD 1 65 GLU HA 3.260 . 6.000 5.425 4.060 6.468 0.468 4 0 "[ . 1]" 1
66 1 19 LEU QD 2 25 ARG HA 3.260 . 6.000 5.436 4.176 6.355 0.355 4 0 "[ . 1]" 1
67 1 61 HIS HA 1 62 PRO QG 2.881 . 3.918 4.293 3.885 4.570 0.652 4 2 "[ - +. 1]" 1
68 2 61 HIS HA 2 62 PRO QG 2.881 . 3.918 4.287 3.882 4.562 0.644 4 2 "[ - +. 1]" 1
69 1 16 ALA HA 1 19 LEU QD 2.623 . 3.483 2.689 2.160 3.223 . 0 0 "[ . 1]" 1
70 1 19 LEU QD 2 16 ALA HA 2.623 . 3.483 2.686 2.160 3.200 . 0 0 "[ . 1]" 1
71 1 16 ALA HA 1 16 ALA MB 2.201 . 2.807 2.066 1.925 2.151 . 0 0 "[ . 1]" 1
72 1 16 ALA MB 2 16 ALA HA 2.201 . 2.807 2.067 1.924 2.152 . 0 0 "[ . 1]" 1
73 1 3 LYS HA 1 11 GLU HA 2.517 . 6.000 5.528 4.037 6.435 0.435 9 0 "[ . 1]" 1
74 2 3 LYS HA 2 11 GLU HA 2.517 . 6.000 5.511 3.988 6.564 0.564 10 1 "[ . +]" 1
75 1 41 LEU HA 1 45 GLN QB 2.915 . 6.000 4.096 3.671 4.513 . 0 0 "[ . 1]" 1
76 2 41 LEU HA 2 45 GLN QB 2.915 . 6.000 4.096 3.653 4.515 . 0 0 "[ . 1]" 1
77 1 62 PRO HB3 1 62 PRO QD 2.805 . 3.788 2.754 2.174 3.548 . 0 0 "[ . 1]" 1
78 2 62 PRO HB3 2 62 PRO QD 2.805 . 3.788 2.750 2.159 3.549 . 0 0 "[ . 1]" 1
79 1 32 ARG QD 1 43 GLU HB3 2.829 . 3.829 2.433 1.942 2.823 . 0 0 "[ . 1]" 1
80 2 32 ARG QD 2 43 GLU HB3 2.829 . 3.829 2.442 1.974 2.825 . 0 0 "[ . 1]" 1
81 1 32 ARG QB 1 32 ARG QD 2.006 . 6.000 2.165 2.047 2.412 . 0 0 "[ . 1]" 1
82 2 32 ARG QB 2 32 ARG QD 2.006 . 6.000 2.165 2.055 2.412 . 0 0 "[ . 1]" 1
83 1 4 ARG HA 1 6 ARG QD 2.681 . 6.000 5.336 4.085 6.320 0.320 2 0 "[ . 1]" 1
84 1 64 PHE HA 2 38 ARG QD 2.681 . 6.000 5.333 4.113 6.325 0.325 2 0 "[ . 1]" 1
85 1 45 GLN HE22 1 48 ARG QD 2.882 . 6.000 5.044 3.888 6.950 0.950 2 1 "[ + . 1]" 1
86 2 45 GLN HE22 2 48 ARG QD 2.882 . 6.000 5.038 3.893 6.864 0.864 2 1 "[ + . 1]" 1
87 1 38 ARG QD 2 64 PHE QD 2.942 . 6.000 4.996 2.726 7.296 1.296 2 2 "[-+ . 1]" 1
88 1 64 PHE QD 2 38 ARG QD 2.942 . 6.000 4.960 2.726 7.218 1.218 2 2 "[-+ . 1]" 1
89 1 51 ARG QD 1 52 ARG H 2.441 . 3.186 3.005 2.734 4.651 1.465 10 1 "[ . +]" 1
90 2 51 ARG QD 2 52 ARG H 2.441 . 3.186 3.006 2.747 4.649 1.463 10 1 "[ . +]" 1
91 1 32 ARG QD 1 34 TYR H 2.863 . 6.000 5.646 5.192 5.979 . 0 0 "[ . 1]" 1
92 2 32 ARG QD 2 34 TYR H 2.863 . 6.000 5.665 5.201 5.978 . 0 0 "[ . 1]" 1
93 1 52 ARG QD 1 52 ARG HG2 2.285 . 2.937 2.362 2.205 2.476 . 0 0 "[ . 1]" 1
94 2 52 ARG QD 2 52 ARG HG2 2.285 . 2.937 2.361 2.201 2.476 . 0 0 "[ . 1]" 1
95 1 51 ARG QD 1 55 GLN QG 2.394 . 3.110 2.731 2.085 3.557 0.447 9 0 "[ . 1]" 1
96 2 51 ARG QD 2 55 GLN QG 2.394 . 3.110 2.739 2.088 3.605 0.495 9 0 "[ . 1]" 1
97 1 16 ALA HA 1 19 LEU HB2 3.336 . 4.727 3.025 2.465 3.685 . 0 0 "[ . 1]" 1
98 1 16 ALA HA 2 19 LEU HB2 3.336 . 4.727 2.979 2.479 3.684 . 0 0 "[ . 1]" 1
99 1 3 LYS QE 2 12 GLU QG 2.370 . 6.000 5.171 3.507 6.164 0.164 8 0 "[ . 1]" 1
100 1 12 GLU QG 2 3 LYS HE2 2.370 . 6.000 5.182 3.504 6.169 0.169 8 0 "[ . 1]" 1
101 1 4 ARG QB 1 9 PHE QB 2.987 . 6.000 4.720 4.034 5.187 . 0 0 "[ . 1]" 1
102 2 4 ARG QB 2 9 PHE QB 2.987 . 6.000 4.721 4.043 5.186 . 0 0 "[ . 1]" 1
103 1 3 LYS QE 1 4 ARG HA 2.160 . 6.000 5.350 4.886 5.926 . 0 0 "[ . 1]" 1
104 2 3 LYS QE 2 4 ARG HA 2.160 . 6.000 5.323 4.627 5.912 . 0 0 "[ . 1]" 1
105 1 18 ASP H 1 18 ASP HB3 2.492 . 3.268 2.285 2.147 2.473 . 0 0 "[ . 1]" 1
106 2 18 ASP H 2 18 ASP HB3 2.492 . 3.268 2.301 2.164 2.475 . 0 0 "[ . 1]" 1
107 1 57 ILE HB 1 58 GLY H 2.813 . 3.802 4.009 2.568 4.349 0.547 7 2 "[ - . + 1]" 1
108 2 57 ILE HB 2 58 GLY H 2.813 . 3.802 4.011 2.567 4.352 0.550 7 2 "[ - . + 1]" 1
109 1 21 PHE QE 1 54 GLU QG 2.826 . 3.824 2.403 2.048 2.747 . 0 0 "[ . 1]" 1
110 2 21 PHE QE 2 54 GLU QG 2.826 . 3.824 2.399 2.041 2.750 . 0 0 "[ . 1]" 1
111 1 52 ARG H 1 55 GLN QG 2.583 . 6.000 3.641 2.629 4.371 . 0 0 "[ . 1]" 1
112 2 52 ARG H 2 55 GLN QG 2.583 . 6.000 3.620 2.629 4.376 . 0 0 "[ . 1]" 1
113 1 27 LEU QD 1 47 GLU QG 2.463 . 3.221 2.450 1.914 3.043 . 0 0 "[ . 1]" 1
114 2 27 LEU QD 2 47 GLU QG 2.463 . 3.221 2.426 1.849 3.041 . 0 0 "[ . 1]" 1
115 1 27 LEU HA 1 47 GLU QG 2.773 . 6.000 4.997 4.021 6.849 0.849 9 1 "[ . +1]" 1
116 2 27 LEU HA 2 47 GLU QG 2.773 . 6.000 5.000 4.023 6.853 0.853 9 1 "[ . +1]" 1
117 1 14 LYS HB3 1 14 LYS QE 2.593 . 3.434 1.940 1.566 2.833 0.186 1 0 "[ . 1]" 1
118 2 14 LYS HB3 2 14 LYS QE 2.593 . 3.434 1.938 1.560 2.828 0.192 1 0 "[ . 1]" 1
119 1 48 ARG HB2 1 48 ARG QD 2.276 . 2.923 2.088 2.001 2.407 . 0 0 "[ . 1]" 1
120 2 48 ARG HB2 2 48 ARG QD 2.276 . 2.923 2.088 2.001 2.405 . 0 0 "[ . 1]" 1
121 1 3 LYS QE 1 4 ARG QB 2.423 . 3.157 2.958 1.966 4.104 0.947 6 1 "[ .+ 1]" 1
122 1 15 LYS QE 2 38 ARG QB 2.423 . 3.157 2.963 1.972 4.112 0.955 6 1 "[ .+ 1]" 1
123 1 33 ARG H 1 33 ARG QB 2.484 . 3.256 2.167 2.016 2.369 . 0 0 "[ . 1]" 1
124 2 33 ARG H 2 33 ARG QB 2.484 . 3.256 2.163 2.011 2.393 . 0 0 "[ . 1]" 1
125 1 4 ARG QB 1 9 PHE H 2.499 . 6.000 3.903 3.121 4.293 . 0 0 "[ . 1]" 1
126 2 4 ARG QB 2 9 PHE H 2.499 . 6.000 3.906 3.115 4.286 . 0 0 "[ . 1]" 1
127 1 12 GLU H 1 12 GLU QB 2.409 . 3.135 2.233 2.079 2.540 . 0 0 "[ . 1]" 1
128 2 12 GLU H 2 12 GLU QB 2.409 . 3.135 2.234 2.090 2.540 . 0 0 "[ . 1]" 1
129 1 24 ASP QB 1 25 ARG H 2.424 . 3.159 3.001 2.152 3.381 0.222 5 0 "[ . 1]" 1
130 2 24 ASP QB 2 25 ARG H 2.424 . 3.159 2.998 2.152 3.381 0.222 5 0 "[ . 1]" 1
131 1 52 ARG H 1 52 ARG QB 2.369 . 3.071 2.211 2.063 2.358 . 0 0 "[ . 1]" 1
132 2 52 ARG H 2 52 ARG QB 2.369 . 3.071 2.214 2.064 2.389 . 0 0 "[ . 1]" 1
133 1 55 GLN QB 1 56 GLN H 2.245 . 2.875 3.535 3.039 3.958 1.083 10 6 "[ * *-** +]" 1
134 2 55 GLN QB 2 56 GLN H 2.245 . 2.875 3.530 3.039 3.960 1.085 10 6 "[ * *-** +]" 1
135 1 27 LEU QD 1 47 GLU QB 2.570 . 6.000 3.708 3.272 4.405 . 0 0 "[ . 1]" 1
136 2 27 LEU QD 2 47 GLU QB 2.570 . 6.000 3.694 3.227 4.417 . 0 0 "[ . 1]" 1
137 1 39 LEU QD 1 39 LEU HG 2.323 . 2.568 1.928 1.925 1.931 0.028 7 0 "[ . 1]" 1
138 2 39 LEU QD 2 39 LEU HG 2.323 . 2.568 1.928 1.925 1.930 0.028 6 0 "[ . 1]" 1
139 1 62 PRO QD 1 62 PRO QG 2.167 . 2.754 1.996 1.984 2.023 . 0 0 "[ . 1]" 1
140 2 62 PRO QD 2 62 PRO QG 2.167 . 2.754 1.996 1.985 2.023 . 0 0 "[ . 1]" 1
141 1 53 LYS HA 1 56 GLN QB 2.637 . 6.000 3.849 2.918 4.454 . 0 0 "[ . 1]" 1
142 2 53 LYS HA 2 56 GLN QB 2.637 . 6.000 3.861 2.943 4.418 . 0 0 "[ . 1]" 1
143 1 33 ARG HG2 1 34 TYR HA 2.378 . 3.085 3.121 2.386 3.402 0.317 9 0 "[ . 1]" 1
144 2 33 ARG HG2 2 34 TYR HA 2.378 . 3.085 3.122 2.385 3.401 0.316 9 0 "[ . 1]" 1
145 1 3 LYS QD 1 3 LYS QE 2.101 . 2.653 2.070 2.007 2.098 . 0 0 "[ . 1]" 1
146 2 3 LYS QD 2 3 LYS QE 2.101 . 2.653 2.069 2.007 2.099 . 0 0 "[ . 1]" 1
147 1 51 ARG QD 1 52 ARG QB 2.693 . 6.000 4.088 3.454 6.033 0.033 10 0 "[ . 1]" 1
148 2 51 ARG QD 2 52 ARG QB 2.693 . 6.000 4.092 3.458 6.031 0.031 10 0 "[ . 1]" 1
149 1 62 PRO HA 1 62 PRO QG 2.562 . 3.382 3.399 2.838 3.540 0.158 7 0 "[ . 1]" 1
150 2 62 PRO HA 2 62 PRO QG 2.562 . 3.382 3.397 2.830 3.541 0.159 7 0 "[ . 1]" 1
151 1 33 ARG QD 1 33 ARG HG2 1.930 . 2.395 1.959 1.924 1.987 . 0 0 "[ . 1]" 1
152 2 33 ARG QD 2 33 ARG HG2 1.930 . 2.395 1.959 1.924 1.987 . 0 0 "[ . 1]" 1
153 1 13 GLN H 1 39 LEU HG 2.491 . 6.000 5.929 5.400 6.254 0.254 1 0 "[ . 1]" 1
154 2 13 GLN H 2 39 LEU HG 2.491 . 6.000 5.933 5.399 6.271 0.271 1 0 "[ . 1]" 1
155 1 19 LEU QD 2 12 GLU QB 2.527 . 6.000 5.024 2.767 6.308 0.308 4 0 "[ . 1]" 1
156 1 12 GLU QB 2 19 LEU QD 2.527 . 6.000 5.053 2.714 6.574 0.574 4 1 "[ +. 1]" 1
157 1 16 ALA HA 1 16 ALA MB 2.045 . 2.568 2.067 1.924 2.150 . 0 0 "[ . 1]" 1
158 1 16 ALA HA 2 16 ALA MB 2.045 . 2.568 2.066 1.925 2.152 . 0 0 "[ . 1]" 1
159 1 27 LEU QD 1 46 ILE MG 2.512 . 6.000 2.004 1.727 2.308 . 0 0 "[ . 1]" 1
160 2 27 LEU QD 2 46 ILE MG 2.512 . 6.000 1.987 1.734 2.263 . 0 0 "[ . 1]" 1
161 1 11 GLU HA 1 13 GLN H 2.454 . 3.207 3.135 3.013 3.303 0.096 2 0 "[ . 1]" 1
162 2 11 GLU HA 2 13 GLN H 2.454 . 3.207 3.147 3.013 3.300 0.093 2 0 "[ . 1]" 1
163 1 14 LYS HA 1 15 LYS H 3.161 . 4.410 3.421 3.297 3.506 . 0 0 "[ . 1]" 1
164 2 14 LYS HA 2 15 LYS H 3.161 . 4.410 3.411 3.265 3.498 . 0 0 "[ . 1]" 1
165 1 15 LYS H 1 15 LYS HA 2.305 . 2.969 2.621 2.538 2.736 . 0 0 "[ . 1]" 1
166 2 15 LYS H 2 15 LYS HA 2.305 . 2.969 2.610 2.536 2.681 . 0 0 "[ . 1]" 1
167 1 15 LYS H 1 16 ALA MB 2.508 . 6.000 4.142 3.816 4.468 . 0 0 "[ . 1]" 1
168 1 15 LYS H 2 16 ALA MB 2.508 . 6.000 4.143 3.810 4.470 . 0 0 "[ . 1]" 1
169 1 16 ALA MB 1 20 ALA H 2.835 . 6.000 5.081 4.374 5.887 . 0 0 "[ . 1]" 1
170 1 20 ALA H 2 16 ALA MB 2.835 . 6.000 5.044 4.377 5.753 . 0 0 "[ . 1]" 1
171 1 15 LYS QE 1 16 ALA MB 3.153 . 4.395 4.088 3.213 5.274 0.879 7 2 "[ . +- 1]" 1
172 1 15 LYS QE 2 16 ALA MB 3.153 . 4.395 4.080 3.166 5.304 0.909 7 2 "[ . +- 1]" 1
173 1 15 LYS QB 1 16 ALA MB 2.496 . 3.275 3.059 2.334 3.805 0.530 5 1 "[ + 1]" 1
174 1 15 LYS QB 2 16 ALA MB 2.496 . 3.275 3.059 2.324 3.803 0.528 5 1 "[ + 1]" 1
175 1 16 ALA MB 1 17 LEU HB3 2.995 . 6.000 2.232 2.084 2.426 . 0 0 "[ . 1]" 1
176 2 16 ALA MB 2 17 LEU HB3 2.995 . 6.000 2.227 2.063 2.400 . 0 0 "[ . 1]" 1
177 1 17 LEU QD 1 48 ARG HA 3.532 . 5.092 4.138 3.155 4.855 . 0 0 "[ . 1]" 1
178 2 17 LEU QD 2 48 ARG HA 3.532 . 5.092 4.130 3.126 4.911 . 0 0 "[ . 1]" 1
179 1 13 GLN QB 1 17 LEU QD 3.423 . 4.887 3.098 2.505 3.666 . 0 0 "[ . 1]" 1
180 2 13 GLN QB 2 17 LEU QD 3.423 . 4.887 3.101 2.427 3.674 . 0 0 "[ . 1]" 1
181 1 13 GLN QG 1 17 LEU QD 3.643 . 5.302 4.333 3.846 4.804 . 0 0 "[ . 1]" 1
182 2 13 GLN QG 2 17 LEU QD 3.643 . 5.302 4.338 3.843 4.851 . 0 0 "[ . 1]" 1
183 1 14 LYS QB 1 17 LEU QD 3.291 . 4.645 4.485 3.890 5.073 0.428 8 0 "[ . 1]" 1
184 2 14 LYS QB 2 17 LEU QD 3.291 . 4.645 4.490 3.939 5.072 0.427 8 0 "[ . 1]" 1
185 1 18 ASP HA 1 53 LYS QE 3.285 . 4.634 3.237 2.094 5.970 1.336 7 1 "[ . + 1]" 1
186 2 18 ASP HA 2 53 LYS QE 3.285 . 4.634 3.196 2.225 5.947 1.313 7 1 "[ . + 1]" 1
187 1 18 ASP HA 1 53 LYS QD 3.435 . 4.910 4.208 3.340 5.712 0.802 7 1 "[ . + 1]" 1
188 1 19 LEU QD 2 18 ASP HA 3.435 . 4.910 4.203 3.346 5.653 0.743 7 1 "[ . + 1]" 1
189 1 17 LEU HB2 1 18 ASP HA 3.520 . 5.069 3.894 3.280 4.426 . 0 0 "[ . 1]" 1
190 2 17 LEU HB2 2 18 ASP HA 3.520 . 5.069 3.887 3.284 4.428 . 0 0 "[ . 1]" 1
191 1 17 LEU HB3 1 20 ALA MB 3.162 . 4.412 3.648 3.105 4.349 . 0 0 "[ . 1]" 1
192 2 17 LEU HB3 2 20 ALA MB 3.162 . 4.412 3.554 3.102 4.328 . 0 0 "[ . 1]" 1
193 1 59 TRP HA 1 60 SER QB 3.236 . 6.000 5.204 4.962 5.371 . 0 0 "[ . 1]" 1
194 2 59 TRP HA 2 60 SER QB 3.236 . 6.000 5.203 4.962 5.371 . 0 0 "[ . 1]" 1
195 1 24 ASP QB 1 28 THR HB 3.134 . 6.000 5.857 5.043 6.525 0.525 2 1 "[ + . 1]" 1
196 2 24 ASP QB 2 28 THR HB 3.134 . 6.000 5.825 5.045 6.528 0.528 2 1 "[ + . 1]" 1
197 1 49 TRP QB 1 50 PHE QD 3.433 . 4.906 4.191 2.837 4.458 . 0 0 "[ . 1]" 1
198 2 49 TRP QB 2 50 PHE QD 3.433 . 4.906 4.193 2.833 4.468 . 0 0 "[ . 1]" 1
199 1 32 ARG QB 1 33 ARG H 3.450 . 4.938 2.389 2.166 2.574 . 0 0 "[ . 1]" 1
200 2 32 ARG QB 2 33 ARG H 3.450 . 4.938 2.402 2.315 2.575 . 0 0 "[ . 1]" 1
201 1 29 PRO HA 1 32 ARG QB 3.511 . 5.052 2.828 2.409 3.482 . 0 0 "[ . 1]" 1
202 2 29 PRO HA 2 32 ARG QB 3.511 . 5.052 2.848 2.345 3.514 . 0 0 "[ . 1]" 1
203 1 52 ARG H 1 54 GLU QB 3.054 . 6.000 4.583 4.253 4.853 . 0 0 "[ . 1]" 1
204 2 52 ARG H 2 54 GLU QB 3.054 . 6.000 4.582 4.253 4.845 . 0 0 "[ . 1]" 1
205 1 40 GLY QA 1 41 LEU QB 3.359 . 6.000 4.088 3.671 4.180 . 0 0 "[ . 1]" 1
206 2 40 GLY QA 2 41 LEU QB 3.359 . 6.000 4.086 3.656 4.173 . 0 0 "[ . 1]" 1
207 1 21 PHE QR 1 27 LEU QD 3.513 . 5.056 5.169 4.954 5.641 0.585 7 1 "[ . + 1]" 1
208 2 21 PHE QR 2 27 LEU QD 3.513 . 5.056 5.176 4.739 5.660 0.604 7 1 "[ . + 1]" 1
209 1 42 ASN QB 1 44 GLU HA 3.392 . 4.831 4.499 4.352 4.702 . 0 0 "[ . 1]" 1
210 2 42 ASN QB 2 44 GLU HA 3.392 . 4.831 4.495 4.342 4.704 . 0 0 "[ . 1]" 1
211 1 43 GLU HA 1 44 GLU QG 3.447 . 4.932 4.500 4.334 4.639 . 0 0 "[ . 1]" 1
212 2 43 GLU HA 2 44 GLU QG 3.447 . 4.932 4.478 4.325 4.652 . 0 0 "[ . 1]" 1
213 1 33 ARG H 1 43 GLU HA 3.426 . 4.893 4.296 4.022 4.562 . 0 0 "[ . 1]" 1
214 2 33 ARG H 2 43 GLU HA 3.426 . 4.893 4.280 4.016 4.580 . 0 0 "[ . 1]" 1
215 1 36 SER HG 1 45 GLN QG 3.133 . 4.360 4.231 3.932 5.662 1.302 2 1 "[ + . 1]" 1
216 2 36 SER HG 2 45 GLN QG 3.133 . 4.360 4.224 3.901 5.673 1.313 2 1 "[ + . 1]" 1
217 1 9 PHE QB 1 46 ILE MD 3.306 . 4.672 4.173 3.815 4.471 . 0 0 "[ . 1]" 1
218 2 9 PHE QB 2 46 ILE MD 3.306 . 4.672 4.172 3.786 4.487 . 0 0 "[ . 1]" 1
219 1 9 PHE QE 1 46 ILE MD 2.807 . 6.000 4.248 3.891 4.439 . 0 0 "[ . 1]" 1
220 2 9 PHE QE 2 46 ILE MD 2.807 . 6.000 4.257 3.900 4.481 . 0 0 "[ . 1]" 1
221 1 33 ARG H 1 46 ILE MD 2.911 . 6.000 4.446 4.426 4.474 . 0 0 "[ . 1]" 1
222 2 33 ARG H 2 46 ILE MD 2.911 . 6.000 4.449 4.424 4.484 . 0 0 "[ . 1]" 1
223 1 32 ARG QD 1 46 ILE MG 3.424 . 4.890 3.932 3.660 4.110 . 0 0 "[ . 1]" 1
224 2 32 ARG QD 2 46 ILE MG 3.424 . 4.890 3.944 3.658 4.178 . 0 0 "[ . 1]" 1
225 1 36 SER QB 1 46 ILE MG 2.870 . 3.900 3.364 3.295 3.434 . 0 0 "[ . 1]" 1
226 2 36 SER QB 2 46 ILE MG 2.870 . 3.900 3.370 3.320 3.444 . 0 0 "[ . 1]" 1
227 1 9 PHE QR 1 46 ILE MG 3.181 . 6.000 5.358 3.913 5.904 . 0 0 "[ . 1]" 1
228 2 9 PHE QR 2 46 ILE MG 3.181 . 6.000 5.353 3.899 5.881 . 0 0 "[ . 1]" 1
229 1 49 TRP HA 1 52 ARG H 2.765 . 3.721 3.224 3.022 3.727 0.006 7 0 "[ . 1]" 1
230 2 49 TRP HA 2 52 ARG H 2.765 . 3.721 3.231 3.034 3.746 0.025 7 0 "[ . 1]" 1
231 1 46 ILE QG 1 49 TRP QB 3.777 . 5.560 4.531 4.253 4.984 . 0 0 "[ . 1]" 1
232 2 46 ILE QG 2 49 TRP QB 3.777 . 5.560 4.525 4.279 4.979 . 0 0 "[ . 1]" 1
233 1 49 TRP HA 1 53 LYS QG 4.032 . 6.064 3.630 2.855 4.404 . 0 0 "[ . 1]" 1
234 2 49 TRP HA 2 53 LYS QG 4.032 . 6.064 3.622 2.849 4.404 . 0 0 "[ . 1]" 1
235 1 57 ILE MG 1 58 GLY QA 3.226 . 4.527 4.480 3.220 5.016 0.489 2 0 "[ . 1]" 1
236 2 57 ILE MG 2 58 GLY QA 3.226 . 4.527 4.471 3.225 5.017 0.490 2 0 "[ . 1]" 1
237 1 39 LEU QB 1 40 GLY QA 3.593 . 6.000 3.979 3.911 4.026 . 0 0 "[ . 1]" 1
238 1 15 LYS HD2 2 40 GLY QA 3.593 . 6.000 3.982 3.912 4.035 . 0 0 "[ . 1]" 1
239 1 56 GLN H 1 63 GLN QG 2.524 . 6.000 4.515 3.768 5.255 . 0 0 "[ . 1]" 1
240 2 56 GLN H 2 63 GLN QG 2.524 . 6.000 4.509 3.741 5.305 . 0 0 "[ . 1]" 1
241 1 9 PHE QD 1 13 GLN QB 3.794 . 5.593 4.063 3.607 4.382 . 0 0 "[ . 1]" 1
242 2 9 PHE QD 2 13 GLN QB 3.794 . 5.593 4.060 3.609 4.361 . 0 0 "[ . 1]" 1
243 1 27 LEU QD 1 44 GLU HA 3.679 . 6.000 5.671 5.165 6.166 0.166 8 0 "[ . 1]" 1
244 2 27 LEU QD 2 44 GLU HA 3.679 . 6.000 5.637 5.151 6.165 0.165 8 0 "[ . 1]" 1
245 1 27 LEU QD 1 32 ARG QB 3.305 . 4.671 3.824 3.436 4.300 . 0 0 "[ . 1]" 1
246 2 27 LEU QD 2 32 ARG QB 3.305 . 4.671 3.790 3.151 4.295 . 0 0 "[ . 1]" 1
247 1 21 PHE QR 1 53 LYS QG 3.989 . 5.978 3.848 2.649 4.664 . 0 0 "[ . 1]" 1
248 2 21 PHE QR 2 53 LYS QG 3.989 . 5.978 3.734 2.652 4.649 . 0 0 "[ . 1]" 1
249 1 21 PHE HB2 1 54 GLU QG 3.395 . 6.000 4.078 2.520 4.985 . 0 0 "[ . 1]" 1
250 2 21 PHE HB2 2 54 GLU QG 3.395 . 6.000 4.086 2.523 4.985 . 0 0 "[ . 1]" 1
251 1 45 GLN QG 1 48 ARG HD3 3.239 . 4.550 3.885 2.513 4.610 0.060 1 0 "[ . 1]" 1
252 2 45 GLN QG 2 48 ARG HD3 3.239 . 4.550 3.890 2.516 4.609 0.059 1 0 "[ . 1]" 1
253 1 9 PHE QD 1 39 LEU QD 2.818 . 6.000 3.367 2.894 3.599 . 0 0 "[ . 1]" 1
254 2 9 PHE QD 2 39 LEU QD 2.818 . 6.000 3.376 2.900 3.607 . 0 0 "[ . 1]" 1
255 1 16 ALA H 1 39 LEU QD 2.853 . 3.870 3.970 3.620 4.323 0.453 5 0 "[ . 1]" 1
256 1 16 ALA H 2 39 LEU QD 2.853 . 3.870 3.980 3.630 4.330 0.460 1 0 "[ . 1]" 1
257 1 13 GLN QB 1 39 LEU QD . . 3.755 2.300 1.951 2.727 0.049 6 0 "[ . 1]" 1
258 2 13 GLN QB 2 39 LEU QD . . 3.755 2.306 1.956 2.830 0.044 6 0 "[ . 1]" 1
259 1 15 LYS QG 1 19 LEU QD 2.853 . 6.000 3.835 2.343 4.596 . 0 0 "[ . 1]" 1
260 1 19 LEU QD 2 15 LYS QG 2.853 . 6.000 3.848 2.336 4.597 . 0 0 "[ . 1]" 1
261 1 30 GLU HA 1 33 ARG QD 2.980 . 4.090 3.255 2.588 3.875 . 0 0 "[ . 1]" 1
262 2 30 GLU HA 2 33 ARG QD 2.980 . 4.090 3.263 2.594 3.885 . 0 0 "[ . 1]" 1
263 1 6 ARG HA 1 6 ARG QG 2.690 . 3.594 2.327 2.223 2.805 . 0 0 "[ . 1]" 1
264 2 6 ARG HA 2 6 ARG QG 2.690 . 3.594 2.327 2.220 2.811 . 0 0 "[ . 1]" 1
265 1 7 THR HB 1 36 SER QB 3.072 . 6.000 6.941 6.508 7.274 1.274 5 10 [***-+*****] 1
266 2 7 THR HB 2 36 SER QB 3.072 . 6.000 6.933 6.443 7.298 1.298 5 9 "[*** +**-**]" 1
267 1 6 ARG QB 1 7 THR HB 3.017 . 6.000 5.195 4.561 5.405 . 0 0 "[ . 1]" 1
268 2 6 ARG QB 2 7 THR HB 3.017 . 6.000 5.195 4.557 5.416 . 0 0 "[ . 1]" 1
269 1 7 THR HB 1 41 LEU H 3.743 . 5.494 4.767 3.733 5.834 0.340 9 0 "[ . 1]" 1
270 2 7 THR HB 2 41 LEU H 3.743 . 5.494 4.775 3.781 5.860 0.366 9 0 "[ . 1]" 1
271 1 19 LEU H 1 19 LEU QD 2.974 . 4.079 2.203 1.976 3.109 . 0 0 "[ . 1]" 1
272 1 19 LEU H 2 19 LEU QD 2.974 . 4.079 2.249 2.025 3.024 . 0 0 "[ . 1]" 1
273 1 9 PHE QR 1 50 PHE H 3.856 . 5.715 5.111 4.624 5.491 . 0 0 "[ . 1]" 1
274 2 9 PHE QR 2 50 PHE H 3.856 . 5.715 5.121 4.628 5.509 . 0 0 "[ . 1]" 1
275 1 41 LEU H 1 42 ASN H 3.571 . 5.165 4.085 3.964 4.279 . 0 0 "[ . 1]" 1
276 2 41 LEU H 2 42 ASN H 3.571 . 5.165 4.085 3.964 4.281 . 0 0 "[ . 1]" 1
277 1 26 ARG HB3 1 27 LEU H 2.750 . 3.695 2.500 2.189 2.938 . 0 0 "[ . 1]" 1
278 2 26 ARG HB3 2 27 LEU H 2.750 . 3.695 2.511 2.190 2.937 . 0 0 "[ . 1]" 1
279 1 65 GLU H 1 66 LYS QG 3.595 . 5.211 3.588 2.696 4.697 . 0 0 "[ . 1]" 1
280 2 65 GLU H 2 66 LYS QG 3.595 . 5.211 3.573 2.695 4.670 . 0 0 "[ . 1]" 1
281 1 53 LYS H 1 53 LYS HE2 3.486 . 5.005 4.184 3.699 4.519 . 0 0 "[ . 1]" 1
282 2 53 LYS H 2 53 LYS HE2 3.486 . 5.005 4.183 3.698 4.527 . 0 0 "[ . 1]" 1
283 1 48 ARG QG 1 53 LYS H 3.515 . 6.000 5.837 4.654 6.412 0.412 2 0 "[ . 1]" 1
284 2 48 ARG QG 2 53 LYS H 3.515 . 6.000 5.834 4.637 6.479 0.479 4 0 "[ . 1]" 1
285 1 16 ALA H 1 39 LEU QB 3.408 . 6.000 6.087 5.715 6.357 0.357 9 0 "[ . 1]" 1
286 1 38 ARG QB 2 16 ALA H 3.408 . 6.000 6.090 5.724 6.322 0.322 9 0 "[ . 1]" 1
287 1 32 ARG QB 1 43 GLU H 2.769 . 6.000 4.576 4.165 5.130 . 0 0 "[ . 1]" 1
288 2 32 ARG QB 2 43 GLU H 2.769 . 6.000 4.580 4.156 5.129 . 0 0 "[ . 1]" 1
289 1 60 SER HG 1 63 GLN H 2.671 . 6.000 5.037 4.586 5.484 . 0 0 "[ . 1]" 1
290 2 60 SER HG 2 63 GLN H 2.671 . 6.000 5.039 4.567 5.543 . 0 0 "[ . 1]" 1
291 1 59 TRP H 1 60 SER HB3 3.665 . 5.344 4.722 4.383 5.019 . 0 0 "[ . 1]" 1
292 2 59 TRP H 2 60 SER HB3 3.665 . 5.344 4.721 4.385 5.015 . 0 0 "[ . 1]" 1
293 1 17 LEU QD 1 49 TRP H 3.619 . 6.000 3.620 3.158 4.141 . 0 0 "[ . 1]" 1
294 2 17 LEU QD 2 49 TRP H 3.619 . 6.000 3.629 3.138 4.144 . 0 0 "[ . 1]" 1
295 1 62 PRO HB3 1 64 PHE H 2.963 . 6.000 4.010 3.115 4.429 . 0 0 "[ . 1]" 1
296 2 62 PRO HB3 2 64 PHE H 2.963 . 6.000 3.994 3.121 4.428 . 0 0 "[ . 1]" 1
297 1 36 SER HA 1 42 ASN H 3.801 . 5.607 5.113 4.735 5.715 0.108 2 0 "[ . 1]" 1
298 2 36 SER HA 2 42 ASN H 3.801 . 5.607 5.109 4.704 5.721 0.114 2 0 "[ . 1]" 1
299 1 14 LYS QB 1 17 LEU H 3.588 . 5.197 4.225 3.974 4.538 . 0 0 "[ . 1]" 1
300 2 14 LYS QB 2 17 LEU H 3.588 . 5.197 4.215 3.994 4.488 . 0 0 "[ . 1]" 1
301 1 13 GLN H 1 14 LYS H 2.621 . 3.479 2.123 1.933 2.320 . 0 0 "[ . 1]" 1
302 2 13 GLN H 2 14 LYS H 2.621 . 3.479 2.132 1.944 2.317 . 0 0 "[ . 1]" 1
303 1 48 ARG H 1 48 ARG QD 3.090 . 4.284 2.456 2.150 2.619 . 0 0 "[ . 1]" 1
304 2 48 ARG H 2 48 ARG QD 3.090 . 4.284 2.465 2.151 2.620 . 0 0 "[ . 1]" 1
305 1 50 PHE QB 1 55 GLN H 3.355 . 6.000 5.540 4.580 6.658 0.658 6 1 "[ .+ 1]" 1
306 2 50 PHE QB 2 55 GLN H 3.355 . 6.000 5.536 4.576 6.649 0.649 6 1 "[ .+ 1]" 1
307 1 8 GLU QG 1 9 PHE H 3.029 . 4.176 3.263 3.060 3.460 . 0 0 "[ . 1]" 1
308 2 8 GLU HG2 2 9 PHE H 3.029 . 4.176 3.467 3.113 3.678 . 0 0 "[ . 1]" 1
309 1 52 ARG QB 1 54 GLU H 3.454 . 4.945 4.788 4.413 5.483 0.538 7 1 "[ . + 1]" 1
310 2 52 ARG QB 2 54 GLU H 3.454 . 4.945 4.781 4.414 5.436 0.491 7 0 "[ . 1]" 1
311 1 51 ARG QD 1 54 GLU H 3.896 . 5.794 4.851 4.254 5.819 0.025 7 0 "[ . 1]" 1
312 2 51 ARG QD 2 54 GLU H 3.896 . 5.794 4.845 4.253 5.827 0.033 7 0 "[ . 1]" 1
313 1 39 LEU QB 1 41 LEU H 3.668 . 5.350 2.614 2.232 2.727 . 0 0 "[ . 1]" 1
314 2 39 LEU QB 2 41 LEU H 3.668 . 5.350 2.613 2.229 2.731 . 0 0 "[ . 1]" 1
315 1 27 LEU QD 1 35 LEU H 3.697 . 5.405 4.662 4.087 4.903 . 0 0 "[ . 1]" 1
316 2 27 LEU QD 2 35 LEU H 3.697 . 5.405 4.674 4.094 4.901 . 0 0 "[ . 1]" 1
317 1 14 LYS H 1 15 LYS HA 3.765 . 5.537 4.516 4.413 4.608 . 0 0 "[ . 1]" 1
318 2 14 LYS H 2 15 LYS HA 3.765 . 5.537 4.512 4.404 4.608 . 0 0 "[ . 1]" 1
319 1 10 SER HB3 1 14 LYS H 2.957 . 4.050 3.991 3.513 4.357 0.307 1 0 "[ . 1]" 1
320 2 10 SER HB3 2 14 LYS H 2.957 . 4.050 4.011 3.503 4.358 0.308 1 0 "[ . 1]" 1
321 1 19 LEU H 2 26 ARG HB2 3.706 . 5.423 4.928 4.201 5.897 0.474 6 0 "[ . 1]" 1
322 1 26 ARG HB2 2 19 LEU H 3.706 . 5.423 4.914 4.206 5.882 0.459 6 0 "[ . 1]" 1
323 1 14 LYS QD 1 15 LYS H 2.883 . 3.922 3.948 3.419 4.390 0.468 5 0 "[ . 1]" 1
324 2 14 LYS QD 2 15 LYS H 2.883 . 3.922 3.948 3.407 4.388 0.466 5 0 "[ . 1]" 1
325 1 56 GLN H 1 56 GLN QG 2.573 . 6.000 3.976 3.938 4.014 . 0 0 "[ . 1]" 1
326 2 56 GLN H 2 56 GLN QG 2.573 . 6.000 3.975 3.933 4.015 . 0 0 "[ . 1]" 1
327 1 18 ASP H 2 19 LEU QD 3.136 . 4.365 2.193 1.977 3.033 . 0 0 "[ . 1]" 1
328 1 19 LEU QD 2 18 ASP H 3.136 . 4.365 2.244 2.026 3.014 . 0 0 "[ . 1]" 1
329 1 59 TRP HA 1 60 SER H 2.215 . 2.828 2.537 1.879 3.122 0.294 10 0 "[ . 1]" 1
330 2 59 TRP HA 2 60 SER H 2.215 . 2.828 2.540 1.883 3.123 0.295 10 0 "[ . 1]" 1
331 1 36 SER H 1 37 GLN HB3 3.318 . 4.694 4.919 4.705 5.015 0.321 9 0 "[ . 1]" 1
332 2 36 SER H 2 37 GLN HB3 3.318 . 4.694 4.916 4.711 5.003 0.309 9 0 "[ . 1]" 1
333 1 36 SER H 1 39 LEU QD 3.205 . 6.000 3.970 3.708 4.502 . 0 0 "[ . 1]" 1
334 2 36 SER H 2 39 LEU QD 3.205 . 6.000 3.961 3.705 4.503 . 0 0 "[ . 1]" 1
335 1 36 SER HA 1 40 GLY H 3.431 . 4.903 3.007 2.751 3.268 . 0 0 "[ . 1]" 1
336 2 36 SER HA 2 40 GLY H 3.431 . 4.903 3.001 2.745 3.258 . 0 0 "[ . 1]" 1
337 1 24 ASP QB 1 27 LEU H 3.668 . 5.350 5.054 3.997 7.421 2.071 9 1 "[ . +1]" 1
338 2 24 ASP QB 2 27 LEU H 3.668 . 5.350 5.007 3.991 7.380 2.030 9 1 "[ . +1]" 1
339 1 4 ARG H 1 5 PRO HB3 3.567 . 5.157 4.498 3.428 5.143 . 0 0 "[ . 1]" 1
340 1 12 GLU QG 2 4 ARG H 3.567 . 5.157 4.487 3.442 5.138 . 0 0 "[ . 1]" 1
341 1 44 GLU QG 1 47 GLU H 3.693 . 5.398 4.466 4.283 4.740 . 0 0 "[ . 1]" 1
342 2 44 GLU QG 2 47 GLU H 3.693 . 5.398 4.457 4.284 4.731 . 0 0 "[ . 1]" 1
343 1 32 ARG QD 1 47 GLU H 3.786 . 5.578 4.005 3.414 4.477 . 0 0 "[ . 1]" 1
344 2 32 ARG QD 2 47 GLU H 3.786 . 5.578 4.031 3.465 4.429 . 0 0 "[ . 1]" 1
345 1 39 LEU QD 1 48 ARG H 3.978 . 5.956 4.872 4.733 4.973 . 0 0 "[ . 1]" 1
346 2 39 LEU QD 2 48 ARG H 3.978 . 5.956 4.870 4.749 4.986 . 0 0 "[ . 1]" 1
347 1 45 GLN H 1 48 ARG QD 4.000 . 6.000 4.710 4.344 4.866 . 0 0 "[ . 1]" 1
348 2 45 GLN H 2 48 ARG QD 4.000 . 6.000 4.714 4.380 4.845 . 0 0 "[ . 1]" 1
349 1 55 GLN QB 1 58 GLY H 3.701 . 5.413 4.728 4.255 5.206 . 0 0 "[ . 1]" 1
350 2 55 GLN QB 2 58 GLY H 3.701 . 5.413 4.739 4.256 5.212 . 0 0 "[ . 1]" 1
351 1 4 ARG H 1 10 SER H 3.739 . 5.486 4.229 3.362 4.690 . 0 0 "[ . 1]" 1
352 2 4 ARG H 2 10 SER H 3.739 . 5.486 4.239 3.463 4.692 . 0 0 "[ . 1]" 1
353 1 14 LYS H 1 17 LEU HB2 3.726 . 5.461 4.625 4.343 4.965 . 0 0 "[ . 1]" 1
354 2 14 LYS H 2 17 LEU HB2 3.726 . 5.461 4.631 4.308 4.963 . 0 0 "[ . 1]" 1
355 1 17 LEU H 1 17 LEU HB3 2.842 . 3.852 2.052 1.770 2.526 0.062 7 0 "[ . 1]" 1
356 2 17 LEU H 2 17 LEU HB3 2.842 . 3.852 2.051 1.781 2.418 0.051 7 0 "[ . 1]" 1
357 1 33 ARG H 1 43 GLU H 4.105 . 6.212 4.707 4.428 4.937 . 0 0 "[ . 1]" 1
358 2 33 ARG H 2 43 GLU H 4.105 . 6.212 4.707 4.426 4.921 . 0 0 "[ . 1]" 1
359 1 47 GLU QG 1 51 ARG H 3.600 . 5.220 4.789 4.579 4.954 . 0 0 "[ . 1]" 1
360 2 47 GLU QG 2 51 ARG H 3.600 . 5.220 4.798 4.579 4.967 . 0 0 "[ . 1]" 1
361 1 14 LYS HG2 1 18 ASP H 3.553 . 5.131 4.656 3.702 5.427 0.296 6 0 "[ . 1]" 1
362 2 14 LYS HG2 2 18 ASP H 3.553 . 5.131 4.659 3.702 5.428 0.297 6 0 "[ . 1]" 1
363 1 34 TYR QD 1 35 LEU HA 3.274 . 4.614 3.364 2.465 3.903 . 0 0 "[ . 1]" 1
364 2 34 TYR QD 2 35 LEU HA 3.274 . 4.614 3.387 2.473 3.957 . 0 0 "[ . 1]" 1
365 1 34 TYR H 1 34 TYR HD2 3.005 . 4.134 4.534 4.365 4.690 0.556 3 2 "[ + . -1]" 1
366 2 34 TYR H 2 34 TYR HD2 3.005 . 4.134 4.536 4.359 4.690 0.556 9 3 "[ *-. +1]" 1
367 1 34 TYR QD 1 35 LEU H 3.187 . 4.457 3.200 2.911 3.483 . 0 0 "[ . 1]" 1
368 2 34 TYR QD 2 35 LEU H 3.187 . 4.457 3.233 2.906 3.588 . 0 0 "[ . 1]" 1
369 1 34 TYR QD 2 64 PHE QD 3.131 . 6.000 5.370 4.048 5.952 . 0 0 "[ . 1]" 1
370 1 64 PHE QD 2 34 TYR QD 3.131 . 6.000 5.373 4.000 5.996 . 0 0 "[ . 1]" 1
371 1 31 TRP HA 1 34 TYR QD 3.416 . 4.874 3.808 3.327 4.225 . 0 0 "[ . 1]" 1
372 2 31 TRP HA 2 34 TYR QD 3.416 . 4.874 3.804 3.270 4.224 . 0 0 "[ . 1]" 1
373 1 34 TYR HA 1 34 TYR HD2 2.837 . 3.843 4.221 3.361 4.417 0.574 10 4 "[ - ** +]" 1
374 2 34 TYR HA 2 34 TYR HD2 2.837 . 3.843 4.223 3.357 4.434 0.591 7 4 "[ - +* *]" 1
375 1 34 TYR QB 1 34 TYR HD2 2.779 . 3.745 2.223 2.175 2.283 . 0 0 "[ . 1]" 1
376 2 34 TYR QB 2 34 TYR HD2 2.779 . 3.745 2.224 2.175 2.286 . 0 0 "[ . 1]" 1
377 1 34 TYR QB 1 34 TYR QD 2.714 . 3.634 2.092 2.074 2.113 . 0 0 "[ . 1]" 1
378 2 34 TYR QB 2 34 TYR QD 2.714 . 3.634 2.093 2.072 2.115 . 0 0 "[ . 1]" 1
379 1 34 TYR QD 1 35 LEU QD 2.994 . 4.114 2.712 2.127 3.874 . 0 0 "[ . 1]" 1
380 2 34 TYR QD 2 35 LEU QD 2.994 . 4.114 2.710 2.128 3.867 . 0 0 "[ . 1]" 1
381 1 50 PHE HA 1 50 PHE QD 3.423 . 4.888 2.621 2.282 3.056 . 0 0 "[ . 1]" 1
382 2 50 PHE HA 2 50 PHE QD 3.423 . 4.888 2.637 2.285 3.057 . 0 0 "[ . 1]" 1
383 1 9 PHE QB 1 9 PHE QD 2.925 . 3.882 2.120 2.090 2.306 . 0 0 "[ . 1]" 1
384 2 9 PHE QB 2 9 PHE QD 2.925 . 3.882 2.120 2.090 2.307 . 0 0 "[ . 1]" 1
385 1 9 PHE QB 1 9 PHE HD2 2.890 . 3.934 2.277 2.238 2.387 . 0 0 "[ . 1]" 1
386 2 9 PHE QB 2 9 PHE HD2 2.890 . 3.934 2.277 2.239 2.388 . 0 0 "[ . 1]" 1
387 1 9 PHE QD 1 45 GLN QG 3.035 . 6.000 4.018 3.731 4.896 . 0 0 "[ . 1]" 1
388 2 9 PHE QD 2 45 GLN QG 3.035 . 6.000 4.014 3.733 4.903 . 0 0 "[ . 1]" 1
389 1 8 GLU HB2 1 9 PHE QD 2.874 . 6.000 4.656 4.087 5.284 . 0 0 "[ . 1]" 1
390 2 8 GLU HB2 2 9 PHE QD 2.874 . 6.000 4.656 4.079 5.288 . 0 0 "[ . 1]" 1
391 1 9 PHE HD2 1 41 LEU QD 2.733 . 3.667 3.690 3.084 4.220 0.553 10 1 "[ . +]" 1
392 2 9 PHE HD2 2 41 LEU QD 2.733 . 3.667 3.692 3.078 4.175 0.508 10 1 "[ . +]" 1
393 1 9 PHE QD 1 17 LEU QD 2.972 . 4.076 3.725 2.672 4.485 0.409 10 0 "[ . 1]" 1
394 2 9 PHE QD 2 17 LEU QD 2.972 . 4.076 3.732 2.502 4.490 0.414 10 0 "[ . 1]" 1
395 1 59 TRP H 1 59 TRP HD1 2.674 . 6.000 4.671 4.217 4.816 . 0 0 "[ . 1]" 1
396 2 59 TRP H 2 59 TRP HD1 2.674 . 6.000 4.667 4.222 4.812 . 0 0 "[ . 1]" 1
397 1 59 TRP HA 1 59 TRP HD1 2.557 . 3.374 2.765 2.708 2.797 . 0 0 "[ . 1]" 1
398 2 59 TRP HA 2 59 TRP HD1 2.557 . 3.374 2.759 2.691 2.798 . 0 0 "[ . 1]" 1
399 1 59 TRP QB 1 59 TRP HD1 2.625 . 4.132 2.757 2.726 2.790 . 0 0 "[ . 1]" 1
400 2 59 TRP QB 2 59 TRP HD1 2.625 . 4.132 2.758 2.725 2.792 . 0 0 "[ . 1]" 1
401 1 49 TRP HA 1 49 TRP HD1 3.202 . 4.484 4.221 2.979 4.585 0.101 6 0 "[ . 1]" 1
402 2 49 TRP HA 2 49 TRP HD1 3.202 . 4.484 4.219 2.974 4.583 0.099 6 0 "[ . 1]" 1
403 1 49 TRP QB 1 49 TRP HD1 3.150 . 4.326 2.574 2.532 2.736 . 0 0 "[ . 1]" 1
404 2 49 TRP QB 2 49 TRP HD1 3.150 . 4.326 2.576 2.533 2.739 . 0 0 "[ . 1]" 1
405 1 61 HIS HA 1 61 HIS HD1 3.182 . 4.448 3.872 2.494 4.519 0.071 8 0 "[ . 1]" 1
406 2 61 HIS HA 2 61 HIS HD1 3.182 . 4.448 3.873 2.493 4.519 0.071 8 0 "[ . 1]" 1
407 1 16 ALA MB 2 16 ALA HA 3.288 . 4.639 2.822 2.159 3.581 . 0 0 "[ . 1]" 1
408 1 16 ALA HA 2 16 ALA MB 3.288 . 4.639 2.839 2.161 3.603 . 0 0 "[ . 1]" 1
409 1 16 ALA MB 2 39 LEU QD 2.782 . 4.414 4.680 4.215 5.429 1.015 6 1 "[ .+ 1]" 1
410 1 39 LEU QD 2 16 ALA MB 2.782 . 4.414 4.672 4.212 5.419 1.005 6 1 "[ .+ 1]" 1
411 1 20 ALA MB 2 20 ALA H 2.978 . 6.000 6.155 4.396 8.160 2.160 9 4 "[ -** +1]" 1
412 1 20 ALA H 2 20 ALA MB 2.978 . 6.000 6.214 4.405 8.381 2.381 9 4 "[ **- +1]" 1
413 1 20 ALA MB 2 20 ALA MB 3.509 . 6.000 6.041 4.203 7.688 1.688 9 4 "[ -** +1]" 1
414 1 16 ALA MB 2 20 ALA H 3.073 . 6.000 6.615 5.409 7.730 1.730 9 5 "[ * *- *+1]" 1
415 1 20 ALA H 2 16 ALA MB 3.073 . 6.000 6.628 5.388 7.765 1.765 9 6 "[ *-** *+1]" 1
416 1 16 ALA MB 2 16 ALA H 3.196 . 4.473 3.868 3.291 4.715 0.242 5 0 "[ . 1]" 1
417 1 16 ALA H 2 16 ALA MB 3.196 . 4.473 3.873 3.220 4.708 0.235 5 0 "[ . 1]" 1
418 1 9 PHE H 1 9 PHE QD 3.191 . 4.464 3.298 2.019 3.803 . 0 0 "[ . 1]" 1
419 2 9 PHE H 2 9 PHE QD 3.191 . 4.464 3.295 2.022 3.805 . 0 0 "[ . 1]" 1
420 1 9 PHE QD 1 45 GLN QB 3.165 . 4.418 2.200 1.948 3.186 . 0 0 "[ . 1]" 1
421 2 9 PHE QD 2 45 GLN QB 3.165 . 4.418 2.198 1.956 3.185 . 0 0 "[ . 1]" 1
422 1 9 PHE QD 1 10 SER H 3.174 . 4.433 4.252 3.903 4.553 0.120 5 0 "[ . 1]" 1
423 2 9 PHE QD 2 10 SER H 3.174 . 4.433 4.250 3.903 4.555 0.122 5 0 "[ . 1]" 1
424 1 39 LEU QD 2 39 LEU QD 3.153 . 6.000 5.896 5.424 6.534 0.534 1 1 "[+ . 1]" 1
425 1 39 LEU QD 2 15 LYS QE 3.247 . 4.565 2.680 1.922 4.585 0.020 7 0 "[ . 1]" 1
426 1 15 LYS QE 2 39 LEU QD 3.247 . 4.565 2.666 1.920 4.646 0.081 7 0 "[ . 1]" 1
427 1 17 LEU QD 1 49 TRP HD1 3.588 . 4.912 2.802 2.084 3.712 . 0 0 "[ . 1]" 1
428 2 17 LEU QD 2 49 TRP HD1 3.588 . 4.912 2.812 2.077 3.718 . 0 0 "[ . 1]" 1
429 1 17 LEU HB2 1 49 TRP HD1 3.450 . 4.938 2.667 1.991 4.974 0.036 7 0 "[ . 1]" 1
430 2 17 LEU HB2 2 49 TRP HD1 3.450 . 4.938 2.689 1.928 4.986 0.048 7 0 "[ . 1]" 1
431 1 14 LYS QE 1 49 TRP HD1 3.660 . 5.334 4.996 3.800 6.176 0.842 5 2 "[ + -]" 1
432 2 14 LYS QE 2 49 TRP HD1 3.660 . 5.334 5.013 3.798 6.167 0.833 5 2 "[ + -]" 1
433 1 19 LEU QD 2 19 LEU QD 2.947 . 6.000 3.827 3.311 4.556 . 0 0 "[ . 1]" 1
434 1 19 LEU QD 2 35 LEU QB 3.214 . 4.505 3.700 2.237 5.528 1.023 9 1 "[ . +1]" 1
435 1 35 LEU QB 2 19 LEU QD 3.214 . 4.505 3.744 2.270 5.714 1.209 9 1 "[ . +1]" 1
436 1 19 LEU QD 2 16 ALA MB . . 3.002 2.521 2.015 3.261 0.259 9 0 "[ . 1]" 1
437 1 16 ALA MB 2 19 LEU QD . . 3.002 2.502 1.997 3.293 0.291 9 0 "[ . 1]" 1
438 1 19 LEU QD 2 19 LEU HG 3.187 . 6.000 5.522 4.926 6.804 0.804 10 1 "[ . +]" 1
439 1 19 LEU HG 2 19 LEU QD 3.187 . 6.000 5.543 4.973 6.786 0.786 10 1 "[ . +]" 1
440 1 19 LEU QD 2 19 LEU HB2 3.503 . 5.037 3.504 2.984 4.660 . 0 0 "[ . 1]" 1
441 1 19 LEU HB2 2 19 LEU QD 3.503 . 5.037 3.509 2.953 4.652 . 0 0 "[ . 1]" 1
442 1 19 LEU QD 2 16 ALA HA 3.015 . 4.151 3.325 2.751 3.702 . 0 0 "[ . 1]" 1
443 1 16 ALA HA 2 19 LEU QD 3.015 . 4.151 3.290 2.741 3.678 . 0 0 "[ . 1]" 1
444 1 19 LEU QD 2 19 LEU HA 3.325 . 6.000 5.169 4.367 6.642 0.642 10 1 "[ . +]" 1
445 1 19 LEU HA 2 19 LEU QD 3.325 . 6.000 5.193 4.394 6.619 0.619 10 1 "[ . +]" 1
446 1 19 LEU QD 2 17 LEU QD 3.267 . 4.601 3.202 2.546 4.196 . 0 0 "[ . 1]" 1
447 1 17 LEU QD 2 19 LEU QD 3.267 . 4.601 3.222 2.537 4.335 . 0 0 "[ . 1]" 1
448 1 50 PHE H 1 50 PHE QD 3.480 . 4.994 3.844 2.005 4.068 . 0 0 "[ . 1]" 1
449 2 50 PHE H 2 50 PHE QD 3.480 . 4.994 3.843 1.998 4.065 . 0 0 "[ . 1]" 1
450 1 27 LEU QD 1 50 PHE QD 3.335 . 3.850 3.004 2.705 3.251 . 0 0 "[ . 1]" 1
451 2 27 LEU QD 2 50 PHE QD 3.335 . 3.850 3.051 2.683 3.455 . 0 0 "[ . 1]" 1
452 1 50 PHE QB 1 50 PHE HE1 3.502 . 5.035 4.424 4.396 4.484 . 0 0 "[ . 1]" 1
453 2 50 PHE QB 2 50 PHE HE1 3.502 . 5.035 4.421 4.388 4.483 . 0 0 "[ . 1]" 1
454 1 27 LEU QD 1 50 PHE HE1 3.257 . 4.583 4.087 3.256 5.009 0.426 7 0 "[ . 1]" 1
455 2 27 LEU QD 2 50 PHE HE1 3.257 . 4.583 4.111 3.260 5.023 0.440 7 0 "[ . 1]" 1
456 1 12 GLU QB 2 39 LEU HA 3.030 . 6.000 5.944 4.589 7.266 1.266 10 4 "[* -. * +]" 1
457 1 39 LEU HA 2 12 GLU QB 3.030 . 6.000 5.950 4.597 7.317 1.317 10 4 "[- *. * +]" 1
458 1 12 GLU QG 2 12 GLU QB 2.974 . 6.000 4.392 3.424 5.396 . 0 0 "[ . 1]" 1
459 1 12 GLU QB 2 12 GLU QG 2.974 . 6.000 4.382 3.398 5.445 . 0 0 "[ . 1]" 1
460 1 61 HIS H 1 61 HIS HD1 3.199 . 4.479 3.947 2.733 5.342 0.863 4 2 "[ +.- 1]" 1
461 2 61 HIS H 2 61 HIS HD1 3.199 . 4.479 3.947 2.734 5.330 0.851 4 2 "[ +.- 1]" 1
462 1 12 GLU QG 2 12 GLU HA 3.091 . 6.000 6.109 4.831 8.172 2.172 4 2 "[ +. - 1]" 1
463 1 12 GLU HA 2 12 GLU QG 3.091 . 6.000 6.115 4.829 8.256 2.256 4 2 "[ +. - 1]" 1
464 1 28 THR HB 1 28 THR MG 2.392 . 3.107 2.155 2.142 2.166 . 0 0 "[ . 1]" 1
465 2 28 THR HB 2 28 THR MG 2.392 . 3.107 2.156 2.145 2.167 . 0 0 "[ . 1]" 1
466 1 28 THR HB 1 29 PRO HD2 2.422 . 3.155 2.214 1.951 4.074 0.919 6 1 "[ .+ 1]" 1
467 2 28 THR HB 2 29 PRO HD2 2.422 . 3.155 2.220 1.940 4.044 0.889 6 1 "[ .+ 1]" 1
468 1 29 PRO HA 1 29 PRO HB3 2.456 . 3.210 2.365 2.357 2.374 . 0 0 "[ . 1]" 1
469 2 29 PRO HA 2 29 PRO HB3 2.456 . 3.210 2.364 2.360 2.374 . 0 0 "[ . 1]" 1
470 1 29 PRO HA 1 29 PRO HB2 2.383 . 3.093 3.025 3.020 3.031 . 0 0 "[ . 1]" 1
471 2 29 PRO HA 2 29 PRO HB2 2.383 . 3.093 3.025 3.018 3.031 . 0 0 "[ . 1]" 1
472 1 29 PRO HA 1 32 ARG QB 2.939 . 6.000 2.835 2.412 3.503 . 0 0 "[ . 1]" 1
473 2 29 PRO HA 2 32 ARG QB 2.939 . 6.000 2.856 2.346 3.536 . 0 0 "[ . 1]" 1
474 1 39 LEU QD 1 46 ILE HA 2.464 . 6.000 4.283 4.128 4.509 . 0 0 "[ . 1]" 1
475 2 39 LEU QD 2 46 ILE HA 2.464 . 6.000 4.293 4.104 4.608 . 0 0 "[ . 1]" 1
476 1 46 ILE HA 1 46 ILE HB 2.867 . 3.894 3.059 3.057 3.063 . 0 0 "[ . 1]" 1
477 2 46 ILE HA 2 46 ILE HB 2.867 . 3.894 3.059 3.057 3.063 . 0 0 "[ . 1]" 1
478 1 46 ILE HA 1 46 ILE QG 2.785 . 3.755 2.972 2.926 3.013 . 0 0 "[ . 1]" 1
479 2 46 ILE HA 2 46 ILE QG 2.785 . 3.755 2.972 2.929 3.016 . 0 0 "[ . 1]" 1
480 1 27 LEU QD 1 46 ILE HA 2.794 . 3.770 4.569 4.242 5.012 1.242 8 8 "[-***** +*1]" 1
481 2 27 LEU QD 2 46 ILE HA 2.794 . 3.770 4.554 4.244 5.015 1.245 8 8 "[-***** +*1]" 1
482 1 5 PRO HA 1 5 PRO HB3 2.071 . 2.607 2.342 2.291 2.394 . 0 0 "[ . 1]" 1
483 2 5 PRO HA 2 5 PRO HB3 2.071 . 2.607 2.344 2.295 2.413 . 0 0 "[ . 1]" 1
484 1 62 PRO HA 1 62 PRO HB3 2.064 . 2.596 2.401 2.349 2.431 . 0 0 "[ . 1]" 1
485 2 62 PRO HA 2 62 PRO HB3 2.064 . 2.596 2.400 2.350 2.429 . 0 0 "[ . 1]" 1
486 1 36 SER QB 1 46 ILE QG 2.984 . 4.097 3.320 2.551 4.689 0.592 1 1 "[+ . 1]" 1
487 2 36 SER QB 2 46 ILE QG 2.984 . 4.097 3.330 2.571 4.687 0.590 1 1 "[+ . 1]" 1
488 1 57 ILE HA 1 57 ILE MG 2.110 . 2.667 2.642 2.296 3.222 0.555 6 1 "[ .+ 1]" 1
489 2 57 ILE HA 2 57 ILE MG 2.110 . 2.667 2.644 2.293 3.223 0.556 6 1 "[ .+ 1]" 1
490 1 50 PHE HA 1 53 LYS QB 2.958 . 4.050 3.217 2.612 4.191 0.141 5 0 "[ . 1]" 1
491 2 50 PHE HA 2 53 LYS QB 2.958 . 4.050 3.206 2.614 4.161 0.111 5 0 "[ . 1]" 1
492 1 34 TYR HA 1 34 TYR QB 2.790 . 3.763 2.370 2.342 2.403 . 0 0 "[ . 1]" 1
493 2 34 TYR HA 2 34 TYR QB 2.790 . 3.763 2.370 2.332 2.409 . 0 0 "[ . 1]" 1
494 1 57 ILE HA 1 57 ILE HB 2.222 . 2.839 2.435 2.251 3.046 0.207 8 0 "[ . 1]" 1
495 2 57 ILE HA 2 57 ILE HB 2.222 . 2.839 2.436 2.252 3.046 0.207 8 0 "[ . 1]" 1
496 1 57 ILE HA 1 57 ILE QG 2.650 . 3.475 3.304 2.864 3.454 . 0 0 "[ . 1]" 1
497 2 57 ILE HA 2 57 ILE QG 2.650 . 3.475 3.301 2.866 3.455 . 0 0 "[ . 1]" 1
498 1 49 TRP HA 1 52 ARG QB 2.706 . 3.621 2.497 2.189 3.058 . 0 0 "[ . 1]" 1
499 2 49 TRP HA 2 52 ARG QB 2.706 . 3.621 2.506 2.223 3.061 . 0 0 "[ . 1]" 1
500 1 43 GLU HA 1 43 GLU HB3 2.480 . 3.249 2.469 2.397 2.532 . 0 0 "[ . 1]" 1
501 2 43 GLU HA 2 43 GLU HB3 2.480 . 3.249 2.469 2.397 2.528 . 0 0 "[ . 1]" 1
502 1 43 GLU HA 1 43 GLU QG 2.875 . 3.908 2.418 2.304 2.510 . 0 0 "[ . 1]" 1
503 2 43 GLU HA 2 43 GLU QG 2.875 . 3.908 2.419 2.306 2.512 . 0 0 "[ . 1]" 1
504 1 43 GLU HA 1 46 ILE QG 2.922 . 3.989 2.177 2.109 2.276 . 0 0 "[ . 1]" 1
505 2 43 GLU HA 2 46 ILE QG 2.922 . 3.989 2.179 2.108 2.313 . 0 0 "[ . 1]" 1
506 1 36 SER QB 1 36 SER HG 2.844 . 3.855 2.096 1.990 2.221 . 0 0 "[ . 1]" 1
507 2 36 SER QB 2 36 SER HG 2.844 . 3.855 2.096 1.990 2.225 . 0 0 "[ . 1]" 1
508 1 14 LYS HA 1 14 LYS HB3 2.660 . 3.545 2.553 2.522 2.605 . 0 0 "[ . 1]" 1
509 2 14 LYS HA 2 14 LYS HB3 2.660 . 3.545 2.553 2.520 2.602 . 0 0 "[ . 1]" 1
510 1 43 GLU HA 1 46 ILE MD 2.841 . 3.850 3.857 3.741 3.960 0.110 6 0 "[ . 1]" 1
511 2 43 GLU HA 2 46 ILE MD 2.841 . 3.850 3.865 3.744 3.980 0.130 4 0 "[ . 1]" 1
512 1 28 THR HA 1 28 THR MG 2.343 . 3.029 2.429 2.385 2.479 . 0 0 "[ . 1]" 1
513 2 28 THR HA 2 28 THR MG 2.343 . 3.029 2.430 2.377 2.481 . 0 0 "[ . 1]" 1
514 1 28 THR HA 1 29 PRO HD2 2.278 . 2.926 3.017 2.780 3.167 0.241 9 0 "[ . 1]" 1
515 2 28 THR HA 2 29 PRO HD2 2.278 . 2.926 3.018 2.797 3.171 0.245 4 0 "[ . 1]" 1
516 1 32 ARG HA 1 46 ILE MG 2.845 . 3.857 2.873 2.316 3.559 . 0 0 "[ . 1]" 1
517 2 32 ARG HA 2 46 ILE MG 2.845 . 3.857 2.907 2.318 3.580 . 0 0 "[ . 1]" 1
518 1 27 LEU QD 1 32 ARG HA 2.838 . 3.845 4.145 3.063 4.755 0.910 4 3 "[ +. *- 1]" 1
519 2 27 LEU QD 2 32 ARG HA 2.838 . 3.845 4.116 3.048 4.821 0.976 4 3 "[ +. *- 1]" 1
520 1 14 LYS HA 1 17 LEU QD 2.934 . 4.010 3.017 2.191 3.686 . 0 0 "[ . 1]" 1
521 2 14 LYS HA 2 17 LEU QD 2.934 . 4.010 3.029 2.310 3.683 . 0 0 "[ . 1]" 1
522 1 14 LYS HA 1 14 LYS HG2 3.011 . 4.144 2.548 2.472 2.834 . 0 0 "[ . 1]" 1
523 2 14 LYS HA 2 14 LYS HG2 3.011 . 4.144 2.547 2.479 2.836 . 0 0 "[ . 1]" 1
524 1 14 LYS HA 1 14 LYS QD 3.041 . 6.000 3.852 2.069 4.155 . 0 0 "[ . 1]" 1
525 2 14 LYS HA 2 14 LYS QD 3.041 . 6.000 3.852 2.063 4.156 . 0 0 "[ . 1]" 1
526 1 47 GLU HA 1 47 GLU HG3 2.507 . 3.293 2.984 2.943 3.020 . 0 0 "[ . 1]" 1
527 2 47 GLU HA 2 47 GLU HG3 2.507 . 3.293 2.982 2.940 3.004 . 0 0 "[ . 1]" 1
528 1 47 GLU HA 1 47 GLU HB2 2.402 . 3.123 3.051 3.050 3.053 . 0 0 "[ . 1]" 1
529 2 47 GLU HA 2 47 GLU HB2 2.402 . 3.123 3.052 3.049 3.054 . 0 0 "[ . 1]" 1
530 1 46 ILE HB 1 47 GLU HA 2.906 . 3.962 4.083 3.986 4.148 0.186 1 0 "[ . 1]" 1
531 2 46 ILE HB 2 47 GLU HA 2.906 . 3.962 4.082 3.990 4.148 0.186 1 0 "[ . 1]" 1
532 1 47 GLU HA 1 50 PHE QB 2.992 . 4.111 2.462 2.188 2.741 . 0 0 "[ . 1]" 1
533 2 47 GLU HA 2 50 PHE QB 2.992 . 4.111 2.477 2.189 2.780 . 0 0 "[ . 1]" 1
534 1 12 GLU HA 1 12 GLU QG 2.252 . 6.000 2.810 2.410 3.351 . 0 0 "[ . 1]" 1
535 2 12 GLU HA 2 12 GLU QG 2.252 . 6.000 2.835 2.410 3.350 . 0 0 "[ . 1]" 1
536 1 27 LEU QD 1 47 GLU HA 2.448 . 3.080 2.544 1.999 3.559 0.479 9 0 "[ . 1]" 1
537 2 27 LEU QD 2 47 GLU HA 2.448 . 3.080 2.527 1.991 3.574 0.494 9 0 "[ . 1]" 1
538 1 46 ILE MG 1 47 GLU HA 3.042 . 4.199 3.414 3.335 3.485 . 0 0 "[ . 1]" 1
539 2 46 ILE MG 2 47 GLU HA 3.042 . 4.199 3.419 3.355 3.496 . 0 0 "[ . 1]" 1
540 1 14 LYS HA 1 17 LEU HB2 3.198 . 4.477 2.963 2.299 3.536 . 0 0 "[ . 1]" 1
541 2 14 LYS HA 2 17 LEU HB2 3.198 . 4.477 2.980 2.229 3.532 . 0 0 "[ . 1]" 1
542 1 54 GLU HA 1 57 ILE MG 2.684 . 3.584 4.376 2.728 6.365 2.781 2 6 "[*+ ** * -]" 1
543 2 54 GLU HA 2 57 ILE MG 2.684 . 3.584 4.384 2.742 6.303 2.719 2 6 "[*+ ** * -]" 1
544 1 52 ARG HA 1 52 ARG HG2 2.629 . 3.493 2.893 2.656 3.765 0.272 6 0 "[ . 1]" 1
545 2 52 ARG HA 2 52 ARG HG2 2.629 . 3.493 2.895 2.654 3.763 0.270 6 0 "[ . 1]" 1
546 1 18 ASP HA 1 18 ASP HB3 2.678 . 3.574 3.047 3.031 3.053 . 0 0 "[ . 1]" 1
547 2 18 ASP HA 2 18 ASP HB3 2.678 . 3.574 3.047 3.032 3.057 . 0 0 "[ . 1]" 1
548 1 18 ASP HA 1 18 ASP HB2 2.528 . 3.327 2.485 2.367 2.532 . 0 0 "[ . 1]" 1
549 2 18 ASP HA 2 18 ASP HB2 2.528 . 3.327 2.487 2.370 2.536 . 0 0 "[ . 1]" 1
550 1 15 LYS HA 1 18 ASP HB3 2.581 . 3.414 2.666 2.196 3.179 . 0 0 "[ . 1]" 1
551 2 15 LYS HA 2 18 ASP HB3 2.581 . 3.414 2.665 2.216 3.157 . 0 0 "[ . 1]" 1
552 1 12 GLU HA 1 15 LYS QE 2.623 . 3.483 2.772 2.124 3.973 0.490 10 0 "[ . 1]" 1
553 2 12 GLU HA 2 15 LYS QE 2.623 . 3.483 2.768 2.124 3.957 0.474 10 0 "[ . 1]" 1
554 1 52 ARG HA 1 52 ARG HD3 2.884 . 3.924 3.193 2.676 3.439 . 0 0 "[ . 1]" 1
555 2 52 ARG HA 2 52 ARG HD3 2.884 . 3.924 3.205 2.675 3.519 . 0 0 "[ . 1]" 1
556 1 15 LYS HA 1 18 ASP HB2 2.714 . 3.635 3.181 2.523 3.816 0.181 4 0 "[ . 1]" 1
557 2 15 LYS HA 2 18 ASP HB2 2.714 . 3.635 3.141 2.517 3.673 0.038 1 0 "[ . 1]" 1
558 1 13 GLN HA 1 13 GLN QB 2.545 . 3.355 2.384 2.343 2.416 . 0 0 "[ . 1]" 1
559 2 13 GLN HA 2 13 GLN QB 2.545 . 3.355 2.384 2.343 2.416 . 0 0 "[ . 1]" 1
560 1 13 GLN HA 1 13 GLN QG 2.692 . 3.598 2.678 2.382 3.099 . 0 0 "[ . 1]" 1
561 2 13 GLN HA 2 13 GLN QG 2.692 . 3.598 2.682 2.384 3.103 . 0 0 "[ . 1]" 1
562 1 19 LEU HA 1 19 LEU QD 2.384 . 6.000 2.181 1.676 2.591 . 0 0 "[ . 1]" 1
563 2 19 LEU HA 2 19 LEU QD 2.384 . 6.000 2.156 1.647 2.591 . 0 0 "[ . 1]" 1
564 1 17 LEU HA 1 17 LEU HG 2.941 . 4.022 2.420 2.237 2.594 . 0 0 "[ . 1]" 1
565 2 17 LEU HA 2 17 LEU HG 2.941 . 4.022 2.428 2.248 2.638 . 0 0 "[ . 1]" 1
566 1 17 LEU HA 1 17 LEU HB2 2.773 . 3.734 3.025 2.996 3.047 . 0 0 "[ . 1]" 1
567 2 17 LEU HA 2 17 LEU HB2 2.773 . 3.734 3.027 2.997 3.047 . 0 0 "[ . 1]" 1
568 1 17 LEU HA 1 17 LEU HB3 2.838 . 3.845 2.623 2.548 2.676 . 0 0 "[ . 1]" 1
569 2 17 LEU HA 2 17 LEU HB3 2.838 . 3.845 2.621 2.550 2.673 . 0 0 "[ . 1]" 1
570 1 53 LYS HA 1 53 LYS QD 2.668 . 3.558 2.815 1.887 3.957 0.399 3 0 "[ . 1]" 1
571 2 53 LYS HA 2 53 LYS QD 2.668 . 3.558 2.808 1.836 3.943 0.385 3 0 "[ . 1]" 1
572 1 48 ARG HA 1 48 ARG HD3 2.523 . 3.319 3.537 3.341 3.717 0.398 4 0 "[ . 1]" 1
573 2 48 ARG HA 2 48 ARG HD3 2.523 . 3.319 3.538 3.371 3.694 0.375 4 0 "[ . 1]" 1
574 1 33 ARG HA 1 33 ARG QD 2.757 . 6.000 4.148 3.464 4.509 . 0 0 "[ . 1]" 1
575 2 33 ARG HA 2 33 ARG QD 2.757 . 6.000 4.150 3.471 4.511 . 0 0 "[ . 1]" 1
576 1 10 SER HA 1 11 GLU HA 2.972 . 6.000 4.272 4.228 4.328 . 0 0 "[ . 1]" 1
577 2 10 SER HA 2 11 GLU HA 2.972 . 6.000 4.272 4.228 4.329 . 0 0 "[ . 1]" 1
578 1 28 THR HA 1 32 ARG QB 3.058 . 6.000 5.086 3.946 5.825 . 0 0 "[ . 1]" 1
579 2 28 THR HA 2 32 ARG QB 3.058 . 6.000 5.046 3.858 5.829 . 0 0 "[ . 1]" 1
580 1 17 LEU HA 1 17 LEU QD 2.507 . 3.292 2.308 2.017 2.781 . 0 0 "[ . 1]" 1
581 2 17 LEU HA 2 17 LEU QD 2.507 . 3.292 2.304 2.026 2.769 . 0 0 "[ . 1]" 1
582 1 53 LYS HA 1 63 GLN QG 3.011 . 4.144 3.740 2.149 6.059 1.915 1 3 "[+ . - *]" 1
583 2 53 LYS HA 2 63 GLN QG 3.011 . 4.144 3.744 2.094 6.053 1.909 1 2 "[+ . -]" 1
584 1 10 SER HA 1 10 SER HB3 2.396 . 3.113 2.887 2.494 3.060 . 0 0 "[ . 1]" 1
585 2 10 SER HA 2 10 SER HB3 2.396 . 3.113 2.887 2.493 3.059 . 0 0 "[ . 1]" 1
586 1 64 PHE HA 1 64 PHE HB3 2.238 . 2.864 2.563 2.414 3.046 0.182 4 0 "[ . 1]" 1
587 2 64 PHE HA 2 64 PHE HB3 2.238 . 2.864 2.563 2.417 3.046 0.182 4 0 "[ . 1]" 1
588 1 64 PHE HA 1 64 PHE HB2 2.332 . 3.012 2.938 2.467 3.062 0.050 10 0 "[ . 1]" 1
589 2 64 PHE HA 2 64 PHE HB2 2.332 . 3.012 2.937 2.463 3.061 0.049 10 0 "[ . 1]" 1
590 1 10 SER HA 1 11 GLU HB2 2.801 . 6.000 5.087 4.594 6.018 0.018 9 0 "[ . 1]" 1
591 2 10 SER HA 2 11 GLU HB2 2.801 . 6.000 5.092 4.604 5.967 . 0 0 "[ . 1]" 1
592 1 35 LEU HA 1 35 LEU QB 3.079 . 4.264 2.412 2.174 2.547 . 0 0 "[ . 1]" 1
593 2 35 LEU HA 2 35 LEU QB 3.079 . 4.264 2.411 2.181 2.548 . 0 0 "[ . 1]" 1
594 1 52 ARG HA 1 55 GLN QB 2.353 . 3.045 3.436 2.529 5.022 1.977 10 4 "[ - * * +]" 1
595 2 52 ARG HA 2 55 GLN QB 2.353 . 3.045 3.435 2.518 5.020 1.975 10 4 "[ - * * +]" 1
596 1 33 ARG HA 1 33 ARG QB 2.254 . 2.889 2.284 2.179 2.399 . 0 0 "[ . 1]" 1
597 2 33 ARG HA 2 33 ARG QB 2.254 . 2.889 2.285 2.182 2.401 . 0 0 "[ . 1]" 1
598 1 52 ARG HA 1 55 GLN QG 2.860 . 3.882 3.327 1.952 4.685 0.803 9 1 "[ . +1]" 1
599 2 52 ARG HA 2 55 GLN QG 2.860 . 3.882 3.339 1.951 4.724 0.842 9 1 "[ . +1]" 1
600 1 52 ARG HA 1 52 ARG QB 2.151 . 2.729 2.414 2.353 2.458 . 0 0 "[ . 1]" 1
601 2 52 ARG HA 2 52 ARG QB 2.151 . 2.729 2.412 2.355 2.458 . 0 0 "[ . 1]" 1
602 1 48 ARG HA 1 51 ARG QG 2.233 . 2.857 2.959 2.360 5.110 2.253 6 2 "[ .+ -]" 1
603 2 48 ARG HA 2 51 ARG QG 2.233 . 2.857 2.950 2.335 5.102 2.245 6 2 "[ .+ -]" 1
604 1 3 LYS HA 1 4 ARG QB 2.337 . 6.000 4.160 3.943 4.551 . 0 0 "[ . 1]" 1
605 2 3 LYS HA 2 4 ARG QB 2.337 . 6.000 4.162 3.958 4.541 . 0 0 "[ . 1]" 1
606 1 55 GLN HA 1 55 GLN QG 2.364 . 6.000 3.067 2.580 3.467 . 0 0 "[ . 1]" 1
607 2 55 GLN HA 2 55 GLN QG 2.364 . 6.000 3.064 2.583 3.466 . 0 0 "[ . 1]" 1
608 1 51 ARG HA 1 51 ARG HB3 2.174 . 2.765 2.576 2.440 3.048 0.283 10 0 "[ . 1]" 1
609 2 51 ARG HA 2 51 ARG HB3 2.174 . 2.765 2.576 2.441 3.048 0.283 10 0 "[ . 1]" 1
610 1 8 GLU HA 1 41 LEU QB 2.845 . 3.856 3.597 3.059 5.156 1.300 5 1 "[ + 1]" 1
611 2 8 GLU HA 2 41 LEU QB 2.845 . 3.856 3.602 3.084 5.170 1.314 5 1 "[ + 1]" 1
612 1 58 GLY HA3 1 60 SER HA 2.650 . 6.000 6.325 6.038 6.730 0.730 5 2 "[ + -]" 1
613 2 58 GLY HA3 2 60 SER HA 2.650 . 6.000 6.325 6.040 6.725 0.725 5 2 "[ + -]" 1
614 1 9 PHE HA 1 9 PHE QB 2.537 . 3.342 2.158 2.130 2.200 . 0 0 "[ . 1]" 1
615 2 9 PHE HA 2 9 PHE QB 2.537 . 3.342 2.158 2.126 2.195 . 0 0 "[ . 1]" 1
616 1 9 PHE HA 1 45 GLN QB 2.930 . 5.477 5.049 4.557 5.517 0.040 1 0 "[ . 1]" 1
617 2 9 PHE HA 2 45 GLN QB 2.930 . 5.477 5.062 4.573 5.532 0.055 1 0 "[ . 1]" 1
618 1 2 GLU HG2 1 3 LYS HA 2.400 . 6.000 5.050 3.571 6.475 0.475 4 0 "[ . 1]" 1
619 2 2 GLU HG2 2 3 LYS HA 2.400 . 6.000 5.049 3.563 6.511 0.511 4 1 "[ +. 1]" 1
620 1 63 GLN HA 1 63 GLN QG 2.427 . 3.163 2.643 2.310 3.448 0.285 4 0 "[ . 1]" 1
621 2 63 GLN HA 2 63 GLN QG 2.427 . 3.163 2.647 2.310 3.448 0.285 4 0 "[ . 1]" 1
622 1 8 GLU HA 1 9 PHE QB 2.908 . 6.000 4.386 4.258 4.564 . 0 0 "[ . 1]" 1
623 2 8 GLU HA 2 9 PHE QB 2.908 . 6.000 4.382 4.253 4.554 . 0 0 "[ . 1]" 1
624 1 2 GLU HA 1 2 GLU HB3 2.629 . 3.493 2.703 2.275 3.055 . 0 0 "[ . 1]" 1
625 2 2 GLU HA 2 2 GLU HB3 2.629 . 3.493 2.696 2.277 3.054 . 0 0 "[ . 1]" 1
626 1 2 GLU HB3 1 3 LYS HA 2.336 . 6.000 5.087 4.055 6.471 0.471 10 0 "[ . 1]" 1
627 2 2 GLU HB3 2 3 LYS HA 2.336 . 6.000 5.095 4.141 6.466 0.466 10 0 "[ . 1]" 1
628 1 3 LYS HA 1 3 LYS QG 2.896 . 3.944 3.135 2.238 3.463 . 0 0 "[ . 1]" 1
629 2 3 LYS HA 2 3 LYS QG 2.896 . 3.944 3.139 2.243 3.462 . 0 0 "[ . 1]" 1
630 1 6 ARG HA 1 6 ARG QG 2.358 . 3.053 2.458 2.298 3.376 0.323 1 0 "[ . 1]" 1
631 2 6 ARG HA 2 6 ARG QG 2.358 . 3.053 2.458 2.299 3.382 0.329 1 0 "[ . 1]" 1
632 1 55 GLN HA 1 55 GLN QB 2.061 . 2.592 2.314 2.177 2.433 . 0 0 "[ . 1]" 1
633 2 55 GLN HA 2 55 GLN QB 2.061 . 2.592 2.315 2.178 2.433 . 0 0 "[ . 1]" 1
634 1 63 GLN HA 1 63 GLN QB 2.066 . 2.599 2.348 2.183 2.400 . 0 0 "[ . 1]" 1
635 2 63 GLN HA 2 63 GLN QB 2.066 . 2.599 2.347 2.180 2.402 . 0 0 "[ . 1]" 1
636 1 10 SER HA 1 10 SER HB2 2.378 . 3.085 2.675 2.493 3.055 . 0 0 "[ . 1]" 1
637 2 10 SER HA 2 10 SER HB2 2.378 . 3.085 2.674 2.490 3.054 . 0 0 "[ . 1]" 1
638 1 7 THR MG 1 8 GLU HA 2.910 . 6.000 5.480 5.377 5.641 . 0 0 "[ . 1]" 1
639 2 7 THR MG 2 8 GLU HA 2.910 . 6.000 5.478 5.377 5.637 . 0 0 "[ . 1]" 1
640 1 9 PHE HA 1 10 SER H 2.322 . 2.996 2.210 2.040 2.617 . 0 0 "[ . 1]" 1
641 2 9 PHE HA 2 10 SER H 2.322 . 2.996 2.211 2.046 2.616 . 0 0 "[ . 1]" 1
642 1 9 PHE H 1 9 PHE HA 2.624 . 3.485 2.278 2.156 2.757 . 0 0 "[ . 1]" 1
643 2 9 PHE H 2 9 PHE HA 2.624 . 3.485 2.278 2.156 2.758 . 0 0 "[ . 1]" 1
644 1 9 PHE HA 1 9 PHE QD 2.650 . 6.000 3.631 3.311 3.682 . 0 0 "[ . 1]" 1
645 2 9 PHE HA 2 9 PHE QD 2.650 . 6.000 3.630 3.311 3.679 . 0 0 "[ . 1]" 1
646 1 10 SER HA 1 11 GLU H 2.284 . 2.936 2.645 2.545 2.767 . 0 0 "[ . 1]" 1
647 2 10 SER HA 2 11 GLU H 2.284 . 2.936 2.644 2.540 2.742 . 0 0 "[ . 1]" 1
648 1 64 PHE HA 1 64 PHE QD 2.369 . 3.071 2.879 2.227 3.642 0.571 5 1 "[ + 1]" 1
649 2 64 PHE HA 2 64 PHE QD 2.369 . 3.071 2.880 2.226 3.645 0.574 5 1 "[ + 1]" 1
650 1 59 TRP H 1 59 TRP HA 2.103 . 2.656 2.213 2.189 2.225 . 0 0 "[ . 1]" 1
651 2 59 TRP H 2 59 TRP HA 2.103 . 2.656 2.214 2.190 2.227 . 0 0 "[ . 1]" 1
652 1 55 GLN H 1 59 TRP HA 2.896 . 3.945 4.956 3.774 5.908 1.963 6 8 "[ * **+***-]" 1
653 2 55 GLN H 2 59 TRP HA 2.896 . 3.945 4.951 3.778 5.900 1.955 6 8 "[ * **+***-]" 1
654 1 18 ASP H 1 18 ASP HA 2.658 . 3.541 2.842 2.800 2.902 . 0 0 "[ . 1]" 1
655 2 18 ASP H 2 18 ASP HA 2.658 . 3.541 2.833 2.799 2.882 . 0 0 "[ . 1]" 1
656 1 53 LYS H 1 53 LYS HA 2.575 . 3.404 2.795 2.726 2.908 . 0 0 "[ . 1]" 1
657 2 53 LYS H 2 53 LYS HA 2.575 . 3.404 2.795 2.727 2.910 . 0 0 "[ . 1]" 1
658 1 2 GLU HA 1 12 GLU H 2.515 . 6.000 4.768 3.265 6.786 0.786 10 1 "[ . +]" 1
659 2 2 GLU HA 2 12 GLU H 2.515 . 6.000 4.775 3.256 6.807 0.807 10 1 "[ . +]" 1
660 1 3 LYS HA 1 4 ARG H 2.013 . 2.520 2.524 2.245 2.794 0.274 10 0 "[ . 1]" 1
661 2 3 LYS HA 2 4 ARG H 2.013 . 2.520 2.527 2.247 2.797 0.277 10 0 "[ . 1]" 1
662 1 63 GLN HA 1 64 PHE H 2.028 . 6.000 3.092 2.180 3.679 . 0 0 "[ . 1]" 1
663 2 63 GLN HA 2 64 PHE H 2.028 . 6.000 3.091 2.182 3.679 . 0 0 "[ . 1]" 1
664 1 54 GLU H 1 54 GLU HA 2.570 . 3.395 2.902 2.810 2.933 . 0 0 "[ . 1]" 1
665 2 54 GLU H 2 54 GLU HA 2.570 . 3.395 2.902 2.807 2.932 . 0 0 "[ . 1]" 1
666 1 8 GLU HA 1 9 PHE H 2.084 . 6.000 2.767 2.201 3.206 . 0 0 "[ . 1]" 1
667 2 8 GLU HA 2 9 PHE H 2.084 . 6.000 2.768 2.202 3.202 . 0 0 "[ . 1]" 1
668 1 60 SER H 1 60 SER HA 2.370 . 3.072 2.902 2.867 2.925 . 0 0 "[ . 1]" 1
669 2 60 SER H 2 60 SER HA 2.370 . 3.072 2.903 2.867 2.926 . 0 0 "[ . 1]" 1
670 1 65 GLU HA 1 66 LYS H 2.080 . 6.000 3.166 2.610 3.406 . 0 0 "[ . 1]" 1
671 2 65 GLU HA 2 66 LYS H 2.080 . 6.000 3.185 2.698 3.404 . 0 0 "[ . 1]" 1
672 1 55 GLN H 1 55 GLN HA 2.425 . 3.160 2.843 2.774 2.921 . 0 0 "[ . 1]" 1
673 2 55 GLN H 2 55 GLN HA 2.425 . 3.160 2.843 2.774 2.924 . 0 0 "[ . 1]" 1
674 1 38 ARG H 1 38 ARG HA 2.425 . 3.160 2.930 2.923 2.938 . 0 0 "[ . 1]" 1
675 2 38 ARG H 2 38 ARG HA 2.425 . 3.160 2.931 2.923 2.938 . 0 0 "[ . 1]" 1
676 1 10 SER HB2 1 11 GLU H 2.705 . 3.620 3.609 3.334 3.760 0.140 3 0 "[ . 1]" 1
677 2 10 SER HB2 2 11 GLU H 2.705 . 3.620 3.610 3.332 3.759 0.139 3 0 "[ . 1]" 1
678 1 46 ILE H 1 46 ILE HA 2.906 . 3.962 2.870 2.855 2.876 . 0 0 "[ . 1]" 1
679 2 46 ILE H 2 46 ILE HA 2.906 . 3.962 2.870 2.861 2.876 . 0 0 "[ . 1]" 1
680 1 36 SER H 1 36 SER QB 2.489 . 3.130 2.407 2.231 2.491 . 0 0 "[ . 1]" 1
681 2 36 SER H 2 36 SER QB 2.489 . 3.130 2.406 2.243 2.491 . 0 0 "[ . 1]" 1
682 1 62 PRO HA 1 63 GLN H 1.932 . 6.000 3.046 2.219 3.369 . 0 0 "[ . 1]" 1
683 2 62 PRO HA 2 63 GLN H 1.932 . 6.000 3.056 2.224 3.372 . 0 0 "[ . 1]" 1
684 1 34 TYR HA 1 34 TYR QD 2.827 . 3.826 2.570 2.358 3.117 . 0 0 "[ . 1]" 1
685 2 34 TYR HA 2 34 TYR QD 2.827 . 3.826 2.559 2.355 3.116 . 0 0 "[ . 1]" 1
686 1 57 ILE H 1 57 ILE HA 2.314 . 2.983 2.916 2.894 2.942 . 0 0 "[ . 1]" 1
687 2 57 ILE H 2 57 ILE HA 2.314 . 2.983 2.916 2.895 2.942 . 0 0 "[ . 1]" 1
688 1 43 GLU H 1 43 GLU HA 2.834 . 3.838 2.762 2.733 2.804 . 0 0 "[ . 1]" 1
689 2 43 GLU H 2 43 GLU HA 2.834 . 3.838 2.763 2.734 2.804 . 0 0 "[ . 1]" 1
690 1 50 PHE H 1 50 PHE HA 2.882 . 3.920 2.760 2.744 2.800 . 0 0 "[ . 1]" 1
691 2 50 PHE H 2 50 PHE HA 2.882 . 3.920 2.760 2.744 2.800 . 0 0 "[ . 1]" 1
692 1 60 SER H 1 60 SER HB3 2.606 . 3.455 3.005 2.669 3.811 0.356 5 0 "[ . 1]" 1
693 2 60 SER H 2 60 SER HB3 2.606 . 3.455 3.009 2.670 3.813 0.358 5 0 "[ . 1]" 1
694 1 4 ARG HA 1 5 PRO HA 2.791 . 6.000 4.484 4.419 4.595 . 0 0 "[ . 1]" 1
695 2 4 ARG HA 2 5 PRO HA 2.791 . 6.000 4.481 4.416 4.579 . 0 0 "[ . 1]" 1
696 1 36 SER HA 1 41 LEU H 3.090 . 4.284 3.244 3.006 3.524 . 0 0 "[ . 1]" 1
697 2 36 SER HA 2 41 LEU H 3.090 . 4.284 3.237 3.011 3.501 . 0 0 "[ . 1]" 1
698 1 7 THR HA 1 41 LEU HA 3.015 . 4.151 3.024 1.990 3.882 . 0 0 "[ . 1]" 1
699 2 7 THR HA 2 41 LEU HA 3.015 . 4.151 3.036 2.001 3.882 . 0 0 "[ . 1]" 1
700 1 44 GLU H 1 44 GLU HA 2.451 . 3.202 2.789 2.775 2.809 . 0 0 "[ . 1]" 1
701 2 44 GLU H 2 44 GLU HA 2.451 . 3.202 2.789 2.775 2.809 . 0 0 "[ . 1]" 1
702 1 11 GLU HA 1 12 GLU H 2.993 . 4.113 3.582 3.476 3.660 . 0 0 "[ . 1]" 1
703 2 11 GLU HA 2 12 GLU H 2.993 . 4.113 3.578 3.475 3.658 . 0 0 "[ . 1]" 1
704 1 33 ARG H 1 33 ARG HA 2.702 . 3.615 2.813 2.776 2.846 . 0 0 "[ . 1]" 1
705 2 33 ARG H 2 33 ARG HA 2.702 . 3.615 2.814 2.775 2.845 . 0 0 "[ . 1]" 1
706 1 36 SER QB 1 43 GLU HA 2.923 . 3.991 3.355 2.776 5.040 1.049 1 2 "[+ . - 1]" 1
707 2 36 SER QB 2 43 GLU HA 2.923 . 3.991 3.356 2.781 5.044 1.053 1 1 "[+ . 1]" 1
708 1 7 THR HA 1 8 GLU H 1.913 . 2.370 2.747 2.547 2.976 0.606 5 1 "[ + 1]" 1
709 2 7 THR HA 2 8 GLU H 1.913 . 2.370 2.750 2.545 2.977 0.607 5 1 "[ + 1]" 1
710 1 13 GLN H 1 13 GLN HA 2.741 . 3.680 2.892 2.852 2.922 . 0 0 "[ . 1]" 1
711 2 13 GLN H 2 13 GLN HA 2.741 . 3.680 2.891 2.853 2.922 . 0 0 "[ . 1]" 1
712 1 51 ARG H 1 51 ARG HA 2.534 . 3.337 2.841 2.786 2.889 . 0 0 "[ . 1]" 1
713 2 51 ARG H 2 51 ARG HA 2.534 . 3.337 2.841 2.787 2.888 . 0 0 "[ . 1]" 1
714 1 19 LEU H 1 19 LEU HA 2.918 . 3.982 2.831 2.741 2.879 . 0 0 "[ . 1]" 1
715 2 19 LEU H 2 19 LEU HA 2.918 . 3.982 2.838 2.741 2.926 . 0 0 "[ . 1]" 1
716 1 11 GLU H 1 11 GLU HA 2.622 . 3.481 2.728 2.616 2.811 . 0 0 "[ . 1]" 1
717 2 11 GLU H 2 11 GLU HA 2.622 . 3.481 2.726 2.616 2.813 . 0 0 "[ . 1]" 1
718 1 21 PHE QE 1 54 GLU HA 3.195 . 6.000 5.226 4.472 7.679 1.679 4 1 "[ +. 1]" 1
719 2 21 PHE QE 2 54 GLU HA 3.195 . 6.000 5.127 4.487 6.655 0.655 4 1 "[ +. 1]" 1
720 1 27 LEU HA 1 28 THR H 2.677 . 3.573 3.101 2.197 3.497 . 0 0 "[ . 1]" 1
721 2 27 LEU HA 2 28 THR H 2.677 . 3.573 3.081 2.190 3.497 . 0 0 "[ . 1]" 1
722 1 27 LEU HA 1 32 ARG HE 2.769 . 3.728 3.385 2.732 5.618 1.890 9 1 "[ . +1]" 1
723 2 27 LEU HA 2 32 ARG HE 2.769 . 3.728 3.329 2.620 5.590 1.862 9 1 "[ . +1]" 1
724 1 4 ARG QB 1 9 PHE HA 3.095 . 4.292 4.075 2.614 6.491 2.199 3 2 "[ + . -]" 1
725 2 4 ARG QB 2 9 PHE HA 3.095 . 4.292 4.080 2.629 6.500 2.208 3 2 "[ + . -]" 1
726 1 27 LEU HA 1 27 LEU QD 2.854 . 3.699 1.852 1.599 2.995 0.237 6 0 "[ . 1]" 1
727 2 27 LEU HA 2 27 LEU QD 2.854 . 3.699 1.856 1.603 2.973 0.233 6 0 "[ . 1]" 1
728 1 27 LEU HA 1 27 LEU HG 2.697 . 3.606 3.492 2.272 3.673 0.067 9 0 "[ . 1]" 1
729 2 27 LEU HA 2 27 LEU HG 2.697 . 3.606 3.493 2.267 3.679 0.073 9 0 "[ . 1]" 1
730 1 27 LEU HA 1 27 LEU QB 3.025 . 4.169 2.416 2.368 2.456 . 0 0 "[ . 1]" 1
731 2 27 LEU HA 2 27 LEU QB 3.025 . 4.169 2.415 2.366 2.455 . 0 0 "[ . 1]" 1
732 1 1 MET HA 1 2 GLU HA 2.650 . 6.000 4.453 4.324 4.772 . 0 0 "[ . 1]" 1
733 2 1 MET HA 2 2 GLU HA 2.650 . 6.000 4.452 4.322 4.771 . 0 0 "[ . 1]" 1
734 1 53 LYS HA 1 54 GLU H 3.124 . 4.344 3.561 3.509 3.633 . 0 0 "[ . 1]" 1
735 2 53 LYS HA 2 54 GLU H 3.124 . 4.344 3.562 3.516 3.625 . 0 0 "[ . 1]" 1
736 1 15 LYS QB 1 16 ALA HA 2.914 . 3.976 3.797 3.528 4.113 0.137 5 0 "[ . 1]" 1
737 2 15 LYS QB 2 16 ALA HA 2.914 . 3.976 3.792 3.530 4.115 0.139 5 0 "[ . 1]" 1
738 1 16 ALA H 1 16 ALA HA 2.708 . 3.625 2.798 2.713 2.909 . 0 0 "[ . 1]" 1
739 2 16 ALA H 2 16 ALA HA 2.708 . 3.625 2.796 2.713 2.908 . 0 0 "[ . 1]" 1
740 1 60 SER HG 1 61 HIS HA 2.576 . 6.000 5.484 4.106 6.287 0.287 9 0 "[ . 1]" 1
741 2 60 SER HG 2 61 HIS HA 2.576 . 6.000 5.485 4.103 6.283 0.283 5 0 "[ . 1]" 1
742 1 4 ARG HA 1 10 SER HB2 2.416 . 3.146 2.608 1.974 3.205 0.059 2 0 "[ . 1]" 1
743 2 4 ARG HA 2 10 SER HB2 2.416 . 3.146 2.644 1.960 3.210 0.064 2 0 "[ . 1]" 1
744 1 7 THR MG 1 41 LEU HA 2.951 . 4.040 2.782 2.216 3.345 . 0 0 "[ . 1]" 1
745 2 7 THR MG 2 41 LEU HA 2.951 . 4.040 2.787 2.212 3.315 . 0 0 "[ . 1]" 1
746 1 41 LEU HA 1 41 LEU QB 2.568 . 3.392 2.188 2.159 2.354 . 0 0 "[ . 1]" 1
747 2 41 LEU HA 2 41 LEU QB 2.568 . 3.392 2.188 2.159 2.354 . 0 0 "[ . 1]" 1
748 1 42 ASN HA 1 43 GLU QG 3.070 . 4.248 4.080 3.557 4.698 0.450 10 0 "[ . 1]" 1
749 2 42 ASN HA 2 43 GLU QG 3.070 . 4.248 4.082 3.560 4.698 0.450 10 0 "[ . 1]" 1
750 1 42 ASN HA 1 43 GLU H 2.279 . 2.928 2.468 2.268 2.565 . 0 0 "[ . 1]" 1
751 2 42 ASN HA 2 43 GLU H 2.279 . 2.928 2.469 2.267 2.564 . 0 0 "[ . 1]" 1
752 1 42 ASN HA 1 42 ASN QB 2.374 . 3.037 2.427 2.375 2.454 . 0 0 "[ . 1]" 1
753 2 42 ASN HA 2 42 ASN QB 2.374 . 3.037 2.427 2.375 2.455 . 0 0 "[ . 1]" 1
754 1 4 ARG HA 1 4 ARG QB 2.413 . 3.141 2.337 2.231 2.404 . 0 0 "[ . 1]" 1
755 2 4 ARG HA 2 4 ARG QB 2.413 . 3.141 2.336 2.228 2.406 . 0 0 "[ . 1]" 1
756 1 4 ARG HA 1 4 ARG HG2 2.293 . 2.950 3.121 2.300 3.791 0.841 7 3 "[ -* + 1]" 1
757 2 4 ARG HA 2 4 ARG HG2 2.293 . 2.950 3.126 2.299 3.792 0.842 7 3 "[ *- + 1]" 1
758 1 39 LEU HA 1 39 LEU QB 2.548 . 3.210 2.393 2.368 2.443 . 0 0 "[ . 1]" 1
759 2 39 LEU HA 2 39 LEU QB 2.548 . 3.210 2.393 2.367 2.441 . 0 0 "[ . 1]" 1
760 1 61 HIS HA 1 62 PRO QD 2.087 . 2.631 2.410 1.946 2.703 0.072 4 0 "[ . 1]" 1
761 2 61 HIS HA 2 62 PRO QD 2.087 . 2.631 2.405 1.944 2.694 0.063 4 0 "[ . 1]" 1
762 1 60 SER HG 1 62 PRO QD 3.257 . 4.583 3.671 2.545 5.607 1.024 3 1 "[ + . 1]" 1
763 2 60 SER HG 2 62 PRO QD 3.257 . 4.583 3.673 2.533 5.599 1.016 3 1 "[ + . 1]" 1
764 1 62 PRO HB3 1 62 PRO QD 2.998 . 4.122 3.018 2.852 3.573 . 0 0 "[ . 1]" 1
765 2 62 PRO HB3 2 62 PRO QD 2.998 . 4.122 3.016 2.855 3.574 . 0 0 "[ . 1]" 1
766 1 62 PRO QD 1 62 PRO HG2 2.073 . 2.610 2.249 2.240 2.258 . 0 0 "[ . 1]" 1
767 2 62 PRO QD 2 62 PRO HG2 2.073 . 2.610 2.249 2.242 2.256 . 0 0 "[ . 1]" 1
768 1 62 PRO QD 1 62 PRO HG3 2.064 . 2.597 2.233 2.212 2.302 . 0 0 "[ . 1]" 1
769 2 62 PRO QD 2 62 PRO HG3 2.064 . 2.597 2.233 2.213 2.302 . 0 0 "[ . 1]" 1
770 1 62 PRO HB2 1 62 PRO QD 2.826 . 3.824 3.423 2.693 3.593 . 0 0 "[ . 1]" 1
771 2 62 PRO HB2 2 62 PRO QD 2.826 . 3.824 3.423 2.693 3.593 . 0 0 "[ . 1]" 1
772 1 41 LEU HA 1 42 ASN QB 3.075 . 6.000 4.518 4.053 4.698 . 0 0 "[ . 1]" 1
773 2 41 LEU HA 2 42 ASN QB 3.075 . 6.000 4.517 4.058 4.695 . 0 0 "[ . 1]" 1
774 1 62 PRO HA 1 62 PRO QD 2.827 . 3.826 3.459 3.319 3.513 . 0 0 "[ . 1]" 1
775 2 62 PRO HA 2 62 PRO QD 2.827 . 3.826 3.456 3.315 3.513 . 0 0 "[ . 1]" 1
776 1 40 GLY QA 1 41 LEU H 2.753 . 3.701 2.994 2.974 3.017 . 0 0 "[ . 1]" 1
777 2 40 GLY QA 2 41 LEU H 2.753 . 3.701 2.992 2.970 3.018 . 0 0 "[ . 1]" 1
778 1 58 GLY H 1 58 GLY HA2 2.237 . 2.862 2.494 2.441 2.571 . 0 0 "[ . 1]" 1
779 2 58 GLY H 2 58 GLY HA2 2.237 . 2.862 2.493 2.432 2.571 . 0 0 "[ . 1]" 1
780 1 6 ARG QD 1 8 GLU QG 3.182 . 6.000 4.527 3.481 5.521 . 0 0 "[ . 1]" 1
781 2 6 ARG QD 2 8 GLU HG2 3.182 . 6.000 4.873 3.827 5.861 . 0 0 "[ . 1]" 1
782 1 48 ARG HD3 1 48 ARG QG 1.903 . 2.356 2.368 2.340 2.386 0.030 3 0 "[ . 1]" 1
783 2 48 ARG HD3 2 48 ARG QG 1.903 . 2.356 2.368 2.340 2.387 0.031 3 0 "[ . 1]" 1
784 1 51 ARG HA 1 51 ARG QD 2.320 . 6.000 3.487 1.796 3.731 . 0 0 "[ . 1]" 1
785 2 51 ARG HA 2 51 ARG QD 2.320 . 6.000 3.488 1.799 3.731 . 0 0 "[ . 1]" 1
786 1 51 ARG QD 1 52 ARG HA 2.335 . 3.017 2.795 2.352 4.889 1.872 10 1 "[ . +]" 1
787 2 51 ARG QD 2 52 ARG HA 2.335 . 3.017 2.798 2.356 4.888 1.871 10 1 "[ . +]" 1
788 1 31 TRP HA 1 33 ARG QD 2.493 . 6.000 5.742 5.115 6.694 0.694 7 1 "[ . + 1]" 1
789 2 31 TRP HA 2 33 ARG QD 2.493 . 6.000 5.728 5.060 6.691 0.691 7 1 "[ . + 1]" 1
790 1 33 ARG QD 1 34 TYR QD 2.542 . 6.000 5.648 3.764 6.489 0.489 7 0 "[ . 1]" 1
791 2 33 ARG QD 2 34 TYR QD 2.542 . 6.000 5.635 3.718 6.422 0.422 7 0 "[ . 1]" 1
792 1 48 ARG H 1 48 ARG HD3 2.686 . 3.588 2.820 2.689 3.012 . 0 0 "[ . 1]" 1
793 2 48 ARG H 2 48 ARG HD3 2.686 . 3.588 2.824 2.688 2.991 . 0 0 "[ . 1]" 1
794 1 52 ARG H 1 52 ARG HD2 2.919 . 6.000 4.451 3.819 4.808 . 0 0 "[ . 1]" 1
795 2 52 ARG H 2 52 ARG HD2 2.919 . 6.000 4.452 3.884 4.802 . 0 0 "[ . 1]" 1
796 1 6 ARG QD 1 6 ARG QG 1.953 . 2.430 2.075 2.027 2.118 . 0 0 "[ . 1]" 1
797 2 6 ARG QD 2 6 ARG QG 1.953 . 2.430 2.075 2.028 2.118 . 0 0 "[ . 1]" 1
798 1 40 GLY H 1 40 GLY QA 2.341 . 3.026 2.332 2.288 2.353 . 0 0 "[ . 1]" 1
799 2 40 GLY H 2 40 GLY QA 2.341 . 3.026 2.332 2.288 2.353 . 0 0 "[ . 1]" 1
800 1 35 LEU QB 1 39 LEU QD 3.154 . 4.398 2.667 2.143 3.401 . 0 0 "[ . 1]" 1
801 2 35 LEU QB 2 39 LEU QD 3.154 . 4.398 2.654 2.146 3.365 . 0 0 "[ . 1]" 1
802 1 19 LEU HB2 1 19 LEU QD 2.636 . 3.505 2.111 2.067 2.137 . 0 0 "[ . 1]" 1
803 2 19 LEU HB2 2 19 LEU QD 2.636 . 3.505 2.111 2.080 2.133 . 0 0 "[ . 1]" 1
804 1 52 ARG HA 1 52 ARG HD2 2.667 . 3.556 3.037 1.779 3.894 0.338 4 0 "[ . 1]" 1
805 2 52 ARG HA 2 52 ARG HD2 2.667 . 3.556 3.051 1.778 3.912 0.356 4 0 "[ . 1]" 1
806 1 14 LYS QE 1 14 LYS HG2 2.486 . 3.259 2.438 2.375 2.487 . 0 0 "[ . 1]" 1
807 2 14 LYS QE 2 14 LYS HG2 2.486 . 3.259 2.438 2.377 2.487 . 0 0 "[ . 1]" 1
808 1 39 LEU QB 2 15 LYS QE 2.707 . 6.000 3.519 2.442 5.128 . 0 0 "[ . 1]" 1
809 1 15 LYS QE 2 39 LEU QB 2.707 . 6.000 3.544 2.426 5.234 . 0 0 "[ . 1]" 1
810 1 27 LEU QB 1 27 LEU QD 2.797 . 3.249 2.034 1.865 2.061 0.031 4 0 "[ . 1]" 1
811 2 27 LEU QB 2 27 LEU QD 2.797 . 3.249 2.034 1.863 2.062 0.033 4 0 "[ . 1]" 1
812 1 9 PHE QB 1 39 LEU HG 2.939 . 4.019 4.802 4.147 5.988 1.969 5 7 "[ **+- ***]" 1
813 2 9 PHE QB 2 39 LEU HG 2.939 . 4.019 4.804 4.139 5.968 1.949 5 7 "[ **+- ***]" 1
814 1 18 ASP H 1 18 ASP HB2 2.504 . 3.288 2.606 2.497 2.922 . 0 0 "[ . 1]" 1
815 2 18 ASP H 2 18 ASP HB2 2.504 . 3.288 2.575 2.489 2.781 . 0 0 "[ . 1]" 1
816 1 19 LEU H 1 19 LEU HB2 3.047 . 4.208 2.175 2.044 2.331 . 0 0 "[ . 1]" 1
817 2 19 LEU H 2 19 LEU HB2 3.047 . 4.208 2.172 2.040 2.256 . 0 0 "[ . 1]" 1
818 1 42 ASN QB 1 44 GLU QB 2.894 . 3.941 3.096 2.747 4.080 0.139 10 0 "[ . 1]" 1
819 2 42 ASN QB 2 44 GLU QB 2.894 . 3.941 3.088 2.741 4.083 0.142 10 0 "[ . 1]" 1
820 1 42 ASN QB 1 45 GLN QB 2.987 . 6.000 3.976 3.414 4.448 . 0 0 "[ . 1]" 1
821 2 42 ASN QB 2 45 GLN QB 2.987 . 6.000 3.982 3.434 4.452 . 0 0 "[ . 1]" 1
822 1 64 PHE HB3 1 64 PHE QD 2.435 . 3.176 2.343 2.229 2.573 . 0 0 "[ . 1]" 1
823 2 64 PHE HB3 2 64 PHE QD 2.435 . 3.176 2.337 2.230 2.573 . 0 0 "[ . 1]" 1
824 1 42 ASN QB 1 42 ASN HD21 2.773 . 3.273 2.296 2.192 2.465 . 0 0 "[ . 1]" 1
825 2 42 ASN QB 2 42 ASN HD21 2.773 . 3.273 2.297 2.193 2.466 . 0 0 "[ . 1]" 1
826 1 18 ASP HB3 1 19 LEU H 3.018 . 4.156 2.793 2.357 3.420 . 0 0 "[ . 1]" 1
827 2 18 ASP HB3 2 19 LEU H 3.018 . 4.156 2.831 2.347 3.420 . 0 0 "[ . 1]" 1
828 1 50 PHE QB 1 50 PHE QD 2.786 . 3.756 2.103 2.087 2.123 . 0 0 "[ . 1]" 1
829 2 50 PHE QB 2 50 PHE QD 2.786 . 3.756 2.103 2.087 2.123 . 0 0 "[ . 1]" 1
830 1 42 ASN QB 1 44 GLU H 2.959 . 3.742 2.537 2.379 2.798 . 0 0 "[ . 1]" 1
831 2 42 ASN QB 2 44 GLU H 2.959 . 3.742 2.530 2.376 2.798 . 0 0 "[ . 1]" 1
832 1 50 PHE H 1 50 PHE QB 3.092 . 4.211 2.162 2.128 2.196 . 0 0 "[ . 1]" 1
833 2 50 PHE H 2 50 PHE QB 3.092 . 4.211 2.160 2.128 2.184 . 0 0 "[ . 1]" 1
834 1 50 PHE QB 1 51 ARG H 3.202 . 4.422 2.380 2.207 2.527 . 0 0 "[ . 1]" 1
835 2 50 PHE QB 2 51 ARG H 3.202 . 4.422 2.380 2.201 2.533 . 0 0 "[ . 1]" 1
836 1 32 ARG QB 1 43 GLU QG 2.428 . 3.165 2.606 2.140 3.561 0.396 4 0 "[ . 1]" 1
837 2 32 ARG QB 2 43 GLU QG 2.428 . 3.165 2.603 2.135 3.542 0.377 4 0 "[ . 1]" 1
838 1 57 ILE HB 1 57 ILE QG 2.651 . 3.529 2.400 2.192 2.464 . 0 0 "[ . 1]" 1
839 2 57 ILE HB 2 57 ILE QG 2.651 . 3.529 2.400 2.192 2.465 . 0 0 "[ . 1]" 1
840 1 57 ILE HB 1 58 GLY HA2 3.018 . 6.000 5.820 5.037 6.274 0.274 9 0 "[ . 1]" 1
841 2 57 ILE HB 2 58 GLY HA2 3.018 . 6.000 5.822 5.036 6.292 0.292 9 0 "[ . 1]" 1
842 1 36 SER QB 1 43 GLU QG 2.897 . 3.946 2.946 2.605 3.799 . 0 0 "[ . 1]" 1
843 2 36 SER QB 2 43 GLU QG 2.897 . 3.946 2.935 2.574 3.810 . 0 0 "[ . 1]" 1
844 1 64 PHE HB2 1 64 PHE QD 2.416 . 3.146 2.432 2.254 2.586 . 0 0 "[ . 1]" 1
845 2 64 PHE HB2 2 64 PHE QD 2.416 . 3.146 2.439 2.254 2.595 . 0 0 "[ . 1]" 1
846 1 31 TRP H 1 34 TYR QB 3.039 . 6.000 4.402 4.287 4.637 . 0 0 "[ . 1]" 1
847 2 31 TRP H 2 34 TYR QB 3.039 . 6.000 4.402 4.239 4.634 . 0 0 "[ . 1]" 1
848 1 43 GLU H 1 43 GLU QG 2.812 . 3.800 2.449 1.938 2.989 . 0 0 "[ . 1]" 1
849 2 43 GLU H 2 43 GLU QG 2.812 . 3.800 2.451 1.944 2.991 . 0 0 "[ . 1]" 1
850 1 21 PHE H 1 27 LEU QB 3.231 . 6.000 6.082 4.959 7.431 1.431 4 3 "[ *+.- 1]" 1
851 2 21 PHE H 2 27 LEU QB 3.231 . 6.000 6.050 4.956 7.432 1.432 3 4 "[ +*-* 1]" 1
852 1 12 GLU H 1 12 GLU QG 2.362 . 6.000 3.522 2.003 4.002 . 0 0 "[ . 1]" 1
853 2 12 GLU H 2 12 GLU QG 2.362 . 6.000 3.516 1.999 3.984 . 0 0 "[ . 1]" 1
854 1 44 GLU QB 1 44 GLU QG 1.806 . 6.000 2.100 2.030 2.118 . 0 0 "[ . 1]" 1
855 2 44 GLU QB 2 44 GLU QG 1.806 . 6.000 2.100 2.030 2.118 . 0 0 "[ . 1]" 1
856 1 2 GLU HB3 1 2 GLU HG2 2.449 . 3.199 2.566 2.350 3.052 . 0 0 "[ . 1]" 1
857 2 2 GLU HB3 2 2 GLU HG2 2.449 . 3.199 2.563 2.348 3.051 . 0 0 "[ . 1]" 1
858 1 8 GLU HA 1 8 GLU QG 2.442 . 6.000 3.172 2.344 3.339 . 0 0 "[ . 1]" 1
859 2 8 GLU HA 2 8 GLU HG2 2.442 . 6.000 3.514 2.467 3.774 . 0 0 "[ . 1]" 1
860 1 21 PHE HZ 1 54 GLU QG 2.919 . 3.758 3.969 2.902 6.591 2.833 4 2 "[ +. - 1]" 1
861 2 21 PHE HZ 2 54 GLU QG 2.919 . 3.758 3.878 2.920 5.596 1.838 4 2 "[ +. - 1]" 1
862 1 21 PHE QE 1 54 GLU QG 3.093 . 4.289 3.341 2.150 5.626 1.337 4 1 "[ +. 1]" 1
863 2 21 PHE QE 2 54 GLU QG 3.093 . 4.289 3.210 2.141 4.359 0.070 4 0 "[ . 1]" 1
864 1 54 GLU H 1 54 GLU QG 2.655 . 3.536 2.087 1.764 2.724 0.010 4 0 "[ . 1]" 1
865 2 54 GLU H 2 54 GLU QG 2.655 . 3.536 2.085 1.766 2.725 0.008 3 0 "[ . 1]" 1
866 1 45 GLN H 1 45 GLN QG 2.517 . 3.309 2.147 2.055 2.402 . 0 0 "[ . 1]" 1
867 2 45 GLN H 2 45 GLN QG 2.517 . 3.309 2.150 2.049 2.400 . 0 0 "[ . 1]" 1
868 1 53 LYS H 1 54 GLU QG 2.792 . 3.767 3.896 3.366 4.379 0.612 6 1 "[ .+ 1]" 1
869 2 53 LYS H 2 54 GLU QG 2.792 . 3.767 3.890 3.344 4.386 0.619 6 1 "[ .+ 1]" 1
870 1 8 GLU QG 1 9 PHE H 3.185 . 4.453 3.840 3.185 4.802 0.349 5 0 "[ . 1]" 1
871 2 8 GLU HG2 2 9 PHE H 3.185 . 4.453 4.345 3.780 5.045 0.592 5 1 "[ + 1]" 1
872 1 8 GLU QG 1 45 GLN HE21 2.969 . 6.000 4.815 4.167 5.307 . 0 0 "[ . 1]" 1
873 2 8 GLU HG2 2 45 GLN HE21 2.969 . 6.000 5.505 4.352 6.258 0.258 1 0 "[ . 1]" 1
874 1 54 GLU HA 1 54 GLU QG 2.666 . 3.554 2.975 2.371 3.345 . 0 0 "[ . 1]" 1
875 2 54 GLU HA 2 54 GLU QG 2.666 . 3.554 2.977 2.373 3.343 . 0 0 "[ . 1]" 1
876 1 45 GLN HA 1 45 GLN QG 2.519 . 3.312 2.856 2.305 2.975 . 0 0 "[ . 1]" 1
877 2 45 GLN HA 2 45 GLN QG 2.519 . 3.312 2.855 2.302 2.977 . 0 0 "[ . 1]" 1
878 1 54 GLU HA 1 55 GLN QG 2.291 . 6.000 5.154 4.834 5.489 . 0 0 "[ . 1]" 1
879 2 54 GLU HA 2 55 GLN QG 2.291 . 6.000 5.147 4.845 5.483 . 0 0 "[ . 1]" 1
880 1 45 GLN HE21 1 45 GLN QG 2.735 . 3.670 2.618 2.531 2.994 . 0 0 "[ . 1]" 1
881 2 45 GLN HE21 2 45 GLN QG 2.735 . 3.670 2.617 2.530 2.990 . 0 0 "[ . 1]" 1
882 1 55 GLN H 1 55 GLN QG 2.533 . 3.335 2.239 1.983 2.697 . 0 0 "[ . 1]" 1
883 2 55 GLN H 2 55 GLN QG 2.533 . 3.335 2.225 1.933 2.696 . 0 0 "[ . 1]" 1
884 1 54 GLU HA 1 63 GLN QG 2.473 . 6.000 4.635 3.164 6.027 0.027 10 0 "[ . 1]" 1
885 2 54 GLU HA 2 63 GLN QG 2.473 . 6.000 4.636 3.068 6.005 0.005 10 0 "[ . 1]" 1
886 1 51 ARG QG 1 55 GLN QG 2.831 . 3.833 3.970 2.338 4.920 1.087 9 3 "[ -. *+1]" 1
887 2 51 ARG QG 2 55 GLN QG 2.831 . 3.833 3.981 2.337 4.971 1.138 9 3 "[ -. *+1]" 1
888 1 55 GLN QB 1 55 GLN QG 1.975 . 2.462 2.048 2.025 2.118 . 0 0 "[ . 1]" 1
889 2 55 GLN QB 2 55 GLN QG 1.975 . 2.462 2.050 2.026 2.118 . 0 0 "[ . 1]" 1
890 1 56 GLN HA 1 56 GLN HG3 2.199 . 2.804 2.946 2.463 3.065 0.261 3 0 "[ . 1]" 1
891 2 56 GLN HA 2 56 GLN HG3 2.199 . 2.804 2.951 2.493 3.066 0.262 3 0 "[ . 1]" 1
892 2 66 LYS HA 2 66 LYS HB3 2.729 . 3.660 2.502 2.489 2.519 . 0 0 "[ . 1]" 1
893 1 33 ARG QB 1 33 ARG QD 2.293 . 2.950 2.259 2.123 2.329 . 0 0 "[ . 1]" 1
894 2 33 ARG QB 2 33 ARG QD 2.293 . 2.950 2.260 2.123 2.335 . 0 0 "[ . 1]" 1
895 1 59 TRP H 1 59 TRP QB 2.432 . 6.000 3.051 2.916 3.363 . 0 0 "[ . 1]" 1
896 2 59 TRP H 2 59 TRP QB 2.432 . 6.000 3.051 2.919 3.361 . 0 0 "[ . 1]" 1
897 1 51 ARG H 1 51 ARG HB3 2.402 . 3.123 2.573 2.353 2.718 . 0 0 "[ . 1]" 1
898 2 51 ARG H 2 51 ARG HB3 2.402 . 3.123 2.572 2.350 2.717 . 0 0 "[ . 1]" 1
899 1 4 ARG H 1 4 ARG QB 2.317 . 2.985 2.203 2.020 2.650 . 0 0 "[ . 1]" 1
900 2 4 ARG H 2 4 ARG QB 2.317 . 2.985 2.201 2.021 2.657 . 0 0 "[ . 1]" 1
901 1 48 ARG H 1 48 ARG HB2 2.298 . 2.958 2.123 2.062 2.196 . 0 0 "[ . 1]" 1
902 2 48 ARG H 2 48 ARG HB2 2.298 . 2.958 2.125 2.061 2.196 . 0 0 "[ . 1]" 1
903 1 11 GLU H 1 11 GLU HB2 2.292 . 2.948 2.669 2.279 3.578 0.630 8 2 "[ . +-1]" 1
904 2 11 GLU H 2 11 GLU HB2 2.292 . 2.948 2.672 2.288 3.580 0.632 8 2 "[ . +-1]" 1
905 1 12 GLU H 1 12 GLU QB 2.453 . 3.088 2.249 2.096 2.579 . 0 0 "[ . 1]" 1
906 2 12 GLU H 2 12 GLU QB 2.453 . 3.088 2.250 2.108 2.578 . 0 0 "[ . 1]" 1
907 1 33 ARG QB 1 34 TYR H 2.560 . 3.379 3.148 2.364 3.768 0.389 9 0 "[ . 1]" 1
908 2 33 ARG QB 2 34 TYR H 2.560 . 3.379 3.156 2.364 3.773 0.394 9 0 "[ . 1]" 1
909 1 52 ARG H 1 52 ARG QB 2.322 . 2.996 2.310 2.183 2.403 . 0 0 "[ . 1]" 1
910 2 52 ARG H 2 52 ARG QB 2.322 . 2.996 2.315 2.185 2.440 . 0 0 "[ . 1]" 1
911 1 47 GLU H 1 47 GLU HB2 2.356 . 3.050 2.364 2.340 2.393 . 0 0 "[ . 1]" 1
912 2 47 GLU H 2 47 GLU HB2 2.356 . 3.050 2.365 2.342 2.405 . 0 0 "[ . 1]" 1
913 1 11 GLU HB2 1 12 GLU H 2.003 . 6.000 3.568 2.428 4.232 . 0 0 "[ . 1]" 1
914 2 11 GLU HB2 2 12 GLU H 2.003 . 6.000 3.549 2.425 4.233 . 0 0 "[ . 1]" 1
915 1 44 GLU QB 1 45 GLN H 2.367 . 3.067 2.860 2.476 3.786 0.719 2 2 "[ + . -]" 1
916 2 44 GLU QB 2 45 GLN H 2.367 . 3.067 2.862 2.475 3.785 0.718 2 2 "[ + . -]" 1
917 1 55 GLN H 1 55 GLN QB 2.225 . 2.850 2.433 2.304 2.794 . 0 0 "[ . 1]" 1
918 2 55 GLN H 2 55 GLN QB 2.225 . 2.850 2.424 2.304 2.706 . 0 0 "[ . 1]" 1
919 1 54 GLU QB 1 55 GLN HA 2.570 . 6.000 4.021 3.614 4.340 . 0 0 "[ . 1]" 1
920 2 54 GLU QB 2 55 GLN HA 2.570 . 6.000 4.016 3.615 4.344 . 0 0 "[ . 1]" 1
921 1 48 ARG HA 1 48 ARG HB2 2.360 . 3.056 2.978 2.952 2.998 . 0 0 "[ . 1]" 1
922 2 48 ARG HA 2 48 ARG HB2 2.360 . 3.056 2.979 2.956 2.998 . 0 0 "[ . 1]" 1
923 1 65 GLU HA 1 65 GLU QB 2.435 . 3.176 2.299 2.193 2.408 . 0 0 "[ . 1]" 1
924 2 65 GLU HA 2 65 GLU QB 2.435 . 3.176 2.299 2.193 2.408 . 0 0 "[ . 1]" 1
925 1 39 LEU QD 1 46 ILE QG 2.613 . 6.000 3.748 3.544 3.981 . 0 0 "[ . 1]" 1
926 2 39 LEU QD 2 46 ILE QG 2.613 . 6.000 3.735 3.546 3.952 . 0 0 "[ . 1]" 1
927 1 57 ILE QG 1 57 ILE MG 2.283 . 2.758 2.149 2.081 2.392 . 0 0 "[ . 1]" 1
928 2 57 ILE QG 2 57 ILE MG 2.283 . 2.758 2.149 2.082 2.390 . 0 0 "[ . 1]" 1
929 1 12 GLU HA 1 12 GLU QB 1.957 . 2.436 2.369 2.159 2.501 0.065 10 0 "[ . 1]" 1
930 2 12 GLU HA 2 12 GLU QB 1.957 . 2.436 2.360 2.159 2.415 . 0 0 "[ . 1]" 1
931 1 52 ARG HD3 1 52 ARG HG2 2.255 . 2.891 2.813 2.450 3.056 0.165 7 0 "[ . 1]" 1
932 2 52 ARG HD3 2 52 ARG HG2 2.255 . 2.891 2.812 2.451 3.058 0.167 7 0 "[ . 1]" 1
933 1 39 LEU HG 2 15 LYS QE 2.363 . 6.000 4.825 4.162 6.815 0.815 7 1 "[ . + 1]" 1
934 1 15 LYS QE 2 39 LEU HG 2.363 . 6.000 4.829 4.169 6.897 0.897 7 1 "[ . + 1]" 1
935 1 41 LEU QB 1 41 LEU QD 2.178 . 2.771 2.012 1.936 2.032 . 0 0 "[ . 1]" 1
936 2 41 LEU QB 2 41 LEU QD 2.178 . 2.771 2.012 1.936 2.032 . 0 0 "[ . 1]" 1
937 1 57 ILE QG 1 61 HIS QB 2.207 . 6.000 4.522 2.076 5.740 . 0 0 "[ . 1]" 1
938 2 57 ILE QG 2 61 HIS QB 2.207 . 6.000 4.529 2.074 5.711 . 0 0 "[ . 1]" 1
939 1 34 TYR QB 1 37 GLN HB2 2.719 . 6.000 5.580 4.958 6.484 0.484 9 0 "[ . 1]" 1
940 2 34 TYR QB 2 37 GLN HB2 2.719 . 6.000 5.571 4.956 6.448 0.448 9 0 "[ . 1]" 1
941 1 51 ARG QG 1 52 ARG HA 2.388 . 3.101 4.024 3.490 4.188 1.087 8 9 [****-**+*1] 1
942 2 51 ARG QG 2 52 ARG HA 2.388 . 3.101 4.024 3.490 4.188 1.087 8 9 [****-**+*1] 1
943 1 48 ARG HA 1 48 ARG QG 2.450 . 6.000 2.254 2.169 2.311 . 0 0 "[ . 1]" 1
944 2 48 ARG HA 2 48 ARG QG 2.450 . 6.000 2.254 2.170 2.313 . 0 0 "[ . 1]" 1
945 1 48 ARG HA 1 51 ARG HB3 2.629 . 6.000 4.482 2.503 5.166 . 0 0 "[ . 1]" 1
946 2 48 ARG HA 2 51 ARG HB3 2.629 . 6.000 4.466 2.493 5.167 . 0 0 "[ . 1]" 1
947 1 48 ARG H 1 48 ARG QG 2.517 . 6.000 3.624 3.502 3.724 . 0 0 "[ . 1]" 1
948 2 48 ARG H 2 48 ARG QG 2.517 . 6.000 3.629 3.505 3.716 . 0 0 "[ . 1]" 1
949 1 57 ILE H 1 57 ILE QG 2.491 . 3.379 2.719 1.831 4.059 0.680 6 1 "[ .+ 1]" 1
950 2 57 ILE H 2 57 ILE QG 2.491 . 3.379 2.727 1.822 4.057 0.678 6 1 "[ .+ 1]" 1
951 1 41 LEU H 1 41 LEU QD 2.526 . 2.913 1.673 1.421 3.263 0.350 5 0 "[ . 1]" 1
952 2 41 LEU H 2 41 LEU QD 2.526 . 2.913 1.670 1.419 3.258 0.345 5 0 "[ . 1]" 1
953 1 12 GLU QB 1 12 GLU QG 2.170 . 2.759 2.051 2.020 2.119 . 0 0 "[ . 1]" 1
954 2 12 GLU QB 2 12 GLU QG 2.170 . 2.759 2.050 2.019 2.118 . 0 0 "[ . 1]" 1
955 1 39 LEU HA 1 39 LEU HG 2.597 . 3.440 3.005 2.821 3.105 . 0 0 "[ . 1]" 1
956 2 39 LEU HA 2 39 LEU HG 2.597 . 3.440 3.003 2.823 3.100 . 0 0 "[ . 1]" 1
957 1 36 SER QB 1 39 LEU HG 2.452 . 6.000 6.066 5.617 6.521 0.521 9 1 "[ . +1]" 1
958 2 36 SER QB 2 39 LEU HG 2.452 . 6.000 6.070 5.609 6.568 0.568 9 1 "[ . +1]" 1
959 1 27 LEU QD 1 50 PHE QB 2.636 . 3.442 2.655 2.366 3.346 . 0 0 "[ . 1]" 1
960 2 27 LEU QD 2 50 PHE QB 2.636 . 3.442 2.678 2.281 3.356 . 0 0 "[ . 1]" 1
961 1 27 LEU QD 1 43 GLU HB3 2.831 . 6.000 5.382 5.054 5.965 . 0 0 "[ . 1]" 1
962 2 27 LEU QD 2 43 GLU HB3 2.831 . 6.000 5.312 5.050 5.718 . 0 0 "[ . 1]" 1
963 1 27 LEU QD 1 32 ARG QB 2.564 . 3.386 3.892 3.454 4.394 1.008 8 6 "[**- .**+ 1]" 1
964 2 27 LEU QD 2 32 ARG QB 2.564 . 3.386 3.856 3.160 4.394 1.008 8 6 "[*** .-*+ 1]" 1
965 1 17 LEU HB2 1 17 LEU QD 2.464 . 3.223 2.097 2.074 2.125 . 0 0 "[ . 1]" 1
966 2 17 LEU HB2 2 17 LEU QD 2.464 . 3.223 2.095 2.070 2.125 . 0 0 "[ . 1]" 1
967 1 17 LEU MD1 1 17 LEU MD2 2.287 . 2.941 2.073 2.059 2.086 . 0 0 "[ . 1]" 1
968 2 17 LEU MD1 2 17 LEU MD2 2.287 . 2.941 2.075 2.060 2.087 . 0 0 "[ . 1]" 1
969 1 52 ARG QB 1 52 ARG HG2 2.080 . 2.621 2.422 2.208 2.474 . 0 0 "[ . 1]" 1
970 2 52 ARG QB 2 52 ARG HG2 2.080 . 2.621 2.423 2.207 2.478 . 0 0 "[ . 1]" 1
971 1 13 GLN QB 1 13 GLN QG 2.257 . 2.894 2.058 2.012 2.118 . 0 0 "[ . 1]" 1
972 2 13 GLN QB 2 13 GLN QG 2.257 . 2.894 2.058 2.011 2.118 . 0 0 "[ . 1]" 1
973 1 3 LYS QD 1 3 LYS QG 1.833 . 2.692 2.039 2.036 2.043 . 0 0 "[ . 1]" 1
974 2 3 LYS QD 2 3 LYS QG 1.833 . 2.692 2.038 2.029 2.043 . 0 0 "[ . 1]" 1
975 1 15 LYS QB 1 15 LYS QG 2.181 . 2.775 2.083 2.041 2.119 . 0 0 "[ . 1]" 1
976 2 15 LYS QB 2 15 LYS QG 2.181 . 2.775 2.084 2.040 2.119 . 0 0 "[ . 1]" 1
977 1 15 LYS QE 1 15 LYS QG 2.619 . 3.476 2.370 2.187 2.844 . 0 0 "[ . 1]" 1
978 2 15 LYS QE 2 15 LYS QG 2.619 . 3.476 2.367 2.192 2.843 . 0 0 "[ . 1]" 1
979 1 17 LEU QD 1 39 LEU QD 2.125 . 2.689 1.910 1.701 2.044 . 0 0 "[ . 1]" 1
980 2 17 LEU QD 2 39 LEU QD 2.125 . 2.689 1.920 1.698 2.045 . 0 0 "[ . 1]" 1
981 1 27 LEU QD 1 39 LEU QD 2.419 . 6.000 6.040 5.601 6.535 0.535 4 1 "[ +. 1]" 1
982 2 27 LEU QD 2 39 LEU QD 2.419 . 6.000 6.040 5.618 6.520 0.520 4 1 "[ +. 1]" 1
983 1 41 LEU HA 1 41 LEU QD 2.057 . 3.795 2.858 1.932 2.982 . 0 0 "[ . 1]" 1
984 2 41 LEU HA 2 41 LEU QD 2.057 . 3.795 2.858 1.932 2.985 . 0 0 "[ . 1]" 1
985 1 41 LEU QD 1 45 GLN QB 2.474 . 4.782 2.264 2.042 2.475 . 0 0 "[ . 1]" 1
986 2 41 LEU QD 2 45 GLN QB 2.474 . 4.782 2.271 2.041 2.490 . 0 0 "[ . 1]" 1
987 1 17 LEU HG 1 39 LEU QD 2.427 . 3.163 3.722 2.612 4.133 0.970 2 7 "[ +* ** **-]" 1
988 2 17 LEU HG 2 39 LEU QD 2.427 . 3.163 3.731 2.663 4.139 0.976 2 7 "[ +* ** **-]" 1
989 1 41 LEU MD1 1 41 LEU MD2 1.880 . 2.322 2.080 2.068 2.093 . 0 0 "[ . 1]" 1
990 2 41 LEU MD1 2 41 LEU MD2 1.880 . 2.322 2.080 2.068 2.092 . 0 0 "[ . 1]" 1
991 1 7 THR HA 1 7 THR MG 2.056 . 2.584 2.344 2.307 2.393 . 0 0 "[ . 1]" 1
992 2 7 THR HA 2 7 THR MG 2.056 . 2.584 2.346 2.314 2.395 . 0 0 "[ . 1]" 1
993 1 7 THR HB 1 7 THR MG 1.908 . 2.363 2.158 2.149 2.163 . 0 0 "[ . 1]" 1
994 2 7 THR HB 2 7 THR MG 1.908 . 2.363 2.158 2.149 2.166 . 0 0 "[ . 1]" 1
995 1 7 THR MG 1 8 GLU H 2.626 . 6.000 4.420 4.320 4.574 . 0 0 "[ . 1]" 1
996 2 7 THR MG 2 8 GLU H 2.626 . 6.000 4.421 4.318 4.573 . 0 0 "[ . 1]" 1
997 1 7 THR H 1 7 THR MG 2.390 . 3.104 2.462 2.249 3.079 . 0 0 "[ . 1]" 1
998 2 7 THR H 2 7 THR MG 2.390 . 3.104 2.459 2.252 3.071 . 0 0 "[ . 1]" 1
999 1 39 LEU H 1 39 LEU QD 2.631 . 6.000 3.648 3.596 3.770 . 0 0 "[ . 1]" 1
1000 2 39 LEU H 2 39 LEU QD 2.631 . 6.000 3.653 3.596 3.768 . 0 0 "[ . 1]" 1
1001 1 41 LEU QD 1 42 ASN H 2.482 . 4.579 3.133 3.028 3.386 . 0 0 "[ . 1]" 1
1002 2 41 LEU QD 2 42 ASN H 2.482 . 4.579 3.138 3.035 3.401 . 0 0 "[ . 1]" 1
1003 1 20 ALA MB 1 21 PHE H 2.399 . 3.118 2.641 1.954 3.490 0.372 3 0 "[ . 1]" 1
1004 2 20 ALA MB 2 21 PHE H 2.399 . 3.118 2.628 1.954 3.498 0.380 3 0 "[ . 1]" 1
1005 1 16 ALA MB 1 17 LEU H 2.384 . 3.094 2.552 2.235 3.186 0.092 9 0 "[ . 1]" 1
1006 2 16 ALA MB 2 17 LEU H 2.384 . 3.094 2.560 2.289 3.164 0.070 9 0 "[ . 1]" 1
1007 1 16 ALA H 1 16 ALA MB 2.103 . 2.656 2.185 2.149 2.249 . 0 0 "[ . 1]" 1
1008 2 16 ALA H 2 16 ALA MB 2.103 . 2.656 2.184 2.151 2.248 . 0 0 "[ . 1]" 1
1009 1 20 ALA H 1 20 ALA MB 2.471 . 3.234 2.221 2.117 2.331 . 0 0 "[ . 1]" 1
1010 2 20 ALA H 2 20 ALA MB 2.471 . 3.234 2.221 2.116 2.292 . 0 0 "[ . 1]" 1
1011 1 46 ILE H 1 46 ILE MG 2.571 . 6.000 3.712 3.697 3.726 . 0 0 "[ . 1]" 1
1012 2 46 ILE H 2 46 ILE MG 2.571 . 6.000 3.713 3.697 3.727 . 0 0 "[ . 1]" 1
1013 1 20 ALA HA 1 20 ALA MB 2.383 . 3.093 2.157 2.144 2.163 . 0 0 "[ . 1]" 1
1014 2 20 ALA HA 2 20 ALA MB 2.383 . 3.093 2.158 2.143 2.163 . 0 0 "[ . 1]" 1
1015 1 13 GLN HA 1 16 ALA MB 2.401 . 3.122 3.097 2.088 3.728 0.606 6 2 "[ .+ -]" 1
1016 2 13 GLN HA 2 16 ALA MB 2.401 . 3.122 3.085 2.087 3.711 0.589 6 2 "[ .+ -]" 1
1017 1 17 LEU HA 1 20 ALA MB 2.568 . 3.392 2.823 2.086 3.497 0.105 8 0 "[ . 1]" 1
1018 2 17 LEU HA 2 20 ALA MB 2.568 . 3.392 2.729 2.080 3.499 0.107 8 0 "[ . 1]" 1
1019 1 46 ILE HA 1 46 ILE MG 2.383 . 3.093 2.365 2.348 2.398 . 0 0 "[ . 1]" 1
1020 2 46 ILE HA 2 46 ILE MG 2.383 . 3.093 2.365 2.348 2.390 . 0 0 "[ . 1]" 1
1021 1 46 ILE HB 1 46 ILE MG 2.337 . 3.020 2.156 2.153 2.158 . 0 0 "[ . 1]" 1
1022 2 46 ILE HB 2 46 ILE MG 2.337 . 3.020 2.156 2.153 2.158 . 0 0 "[ . 1]" 1
1023 1 46 ILE QG 1 46 ILE MG 2.378 . 3.085 2.315 2.298 2.333 . 0 0 "[ . 1]" 1
1024 2 46 ILE QG 2 46 ILE MG 2.378 . 3.085 2.315 2.298 2.332 . 0 0 "[ . 1]" 1
1025 1 16 ALA MB 1 39 LEU QD 1.929 . 2.394 2.436 1.907 2.753 0.359 8 0 "[ . 1]" 1
1026 2 16 ALA MB 2 39 LEU QD 1.929 . 2.394 2.442 1.898 2.761 0.367 1 0 "[ . 1]" 1
1027 1 20 ALA MB 1 35 LEU QD 2.495 . 3.273 3.095 2.162 3.972 0.699 3 1 "[ + . 1]" 1
1028 2 20 ALA MB 2 35 LEU QD 2.495 . 3.273 3.088 2.284 3.950 0.677 3 1 "[ + . 1]" 1
1029 1 27 LEU QD 1 46 ILE MG 2.225 . 2.844 2.124 1.875 2.569 . 0 0 "[ . 1]" 1
1030 2 27 LEU QD 2 46 ILE MG 2.225 . 2.844 2.099 1.878 2.571 . 0 0 "[ . 1]" 1
1031 1 57 ILE HB 1 57 ILE MG 1.972 . 2.458 2.157 2.146 2.163 . 0 0 "[ . 1]" 1
1032 2 57 ILE HB 2 57 ILE MG 1.972 . 2.458 2.157 2.146 2.164 . 0 0 "[ . 1]" 1
1033 1 57 ILE MG 1 58 GLY H 2.539 . 3.345 3.565 1.987 4.424 1.079 2 4 "[*+ *- 1]" 1
1034 2 57 ILE MG 2 58 GLY H 2.539 . 3.345 3.554 1.985 4.407 1.062 2 4 "[*+ *- 1]" 1
1035 1 57 ILE H 1 57 ILE MG 2.321 . 2.994 2.291 1.641 3.777 0.783 8 1 "[ . + 1]" 1
1036 2 57 ILE H 2 57 ILE MG 2.321 . 2.994 2.282 1.568 3.777 0.783 8 1 "[ . + 1]" 1
1037 1 36 SER HA 1 46 ILE MD 2.350 . 3.040 3.448 2.896 4.056 1.016 1 5 "[+- *. ** 1]" 1
1038 2 36 SER HA 2 46 ILE MD 2.350 . 3.040 3.476 2.895 4.060 1.020 1 5 "[+- *. ** 1]" 1
1039 1 46 ILE HA 1 46 ILE MD 2.363 . 3.061 1.958 1.895 2.021 . 0 0 "[ . 1]" 1
1040 2 46 ILE HA 2 46 ILE MD 2.363 . 3.061 1.957 1.881 2.016 . 0 0 "[ . 1]" 1
1041 1 36 SER H 1 46 ILE MD 2.585 . 3.420 3.740 3.291 4.070 0.650 4 4 "[*-*+. 1]" 1
1042 2 36 SER H 2 46 ILE MD 2.585 . 3.420 3.753 3.312 4.271 0.851 4 4 "[*-*+. 1]" 1
1043 1 46 ILE HB 1 46 ILE MD 2.451 . 3.202 3.209 3.204 3.218 0.016 5 0 "[ . 1]" 1
1044 2 46 ILE HB 2 46 ILE MD 2.451 . 3.202 3.209 3.205 3.220 0.018 5 0 "[ . 1]" 1
1045 1 46 ILE MD 1 46 ILE QG 2.169 . 2.757 1.922 1.921 1.924 . 0 0 "[ . 1]" 1
1046 2 46 ILE MD 2 46 ILE QG 2.169 . 2.757 1.922 1.920 1.925 . 0 0 "[ . 1]" 1
1047 1 3 LYS QB 1 3 LYS QD 2.310 . 2.977 2.370 2.141 2.751 . 0 0 "[ . 1]" 1
1048 2 3 LYS QB 2 3 LYS QD 2.310 . 2.977 2.377 2.139 2.752 . 0 0 "[ . 1]" 1
1049 1 3 LYS QB 1 3 LYS QE 1.997 . 2.496 2.083 1.707 3.045 0.549 10 1 "[ . +]" 1
1050 2 3 LYS QB 2 3 LYS QE 1.997 . 2.496 2.075 1.623 3.037 0.541 10 1 "[ . +]" 1
1051 1 3 LYS QD 1 3 LYS QE 1.839 . 6.000 2.103 2.037 2.119 . 0 0 "[ . 1]" 1
1052 2 3 LYS QD 2 3 LYS QE 1.839 . 6.000 2.103 2.037 2.120 . 0 0 "[ . 1]" 1
1053 1 6 ARG HA 1 6 ARG QD 2.818 . 6.000 3.702 2.857 4.228 . 0 0 "[ . 1]" 1
1054 2 6 ARG HA 2 6 ARG QD 2.818 . 6.000 3.702 2.864 4.227 . 0 0 "[ . 1]" 1
1055 1 6 ARG QB 1 6 ARG QD 2.104 . 2.657 2.288 2.103 2.764 0.107 9 0 "[ . 1]" 1
1056 2 6 ARG QB 2 6 ARG QD 2.104 . 2.657 2.288 2.101 2.762 0.105 9 0 "[ . 1]" 1
1057 1 7 THR HA 1 7 THR HB 2.013 . 2.519 2.460 2.417 2.497 . 0 0 "[ . 1]" 1
1058 2 7 THR HA 2 7 THR HB 2.013 . 2.519 2.459 2.416 2.496 . 0 0 "[ . 1]" 1
1059 1 12 GLU QB 1 13 GLN H 2.044 . 3.381 2.967 2.451 3.999 0.618 6 1 "[ .+ 1]" 1
1060 2 12 GLU QB 2 13 GLN H 2.044 . 3.381 2.924 2.429 4.000 0.619 6 1 "[ .+ 1]" 1
1061 1 14 LYS QD 1 14 LYS HG2 2.610 . 3.462 2.374 2.338 2.394 . 0 0 "[ . 1]" 1
1062 2 14 LYS QD 2 14 LYS HG2 2.610 . 3.462 2.374 2.338 2.395 . 0 0 "[ . 1]" 1
1063 1 16 ALA MB 1 17 LEU HA 2.879 . 3.915 3.769 3.652 4.001 0.086 9 0 "[ . 1]" 1
1064 2 16 ALA MB 2 17 LEU HA 2.879 . 3.915 3.764 3.655 3.939 0.024 9 0 "[ . 1]" 1
1065 1 14 LYS HA 1 16 ALA MB 3.168 . 4.422 4.652 4.274 4.875 0.453 9 0 "[ . 1]" 1
1066 2 14 LYS HA 2 16 ALA MB 3.168 . 4.422 4.650 4.275 4.929 0.507 9 1 "[ . +1]" 1
1067 1 13 GLN QB 1 16 ALA MB 3.065 . 4.239 3.814 3.358 4.442 0.203 10 0 "[ . 1]" 1
1068 2 13 GLN QB 2 16 ALA MB 3.065 . 4.239 3.798 3.330 4.424 0.185 9 0 "[ . 1]" 1
1069 1 13 GLN QG 1 16 ALA MB 3.021 . 6.000 4.680 3.422 5.646 . 0 0 "[ . 1]" 1
1070 2 13 GLN QG 2 16 ALA MB 3.021 . 6.000 4.671 3.426 5.631 . 0 0 "[ . 1]" 1
1071 1 16 ALA MB 1 17 LEU QD 2.884 . 3.924 2.235 2.086 2.430 . 0 0 "[ . 1]" 1
1072 2 16 ALA MB 2 17 LEU QD 2.884 . 3.924 2.230 2.064 2.404 . 0 0 "[ . 1]" 1
1073 1 17 LEU HA 1 18 ASP H 3.231 . 4.536 3.491 3.347 3.602 . 0 0 "[ . 1]" 1
1074 2 17 LEU HA 2 18 ASP H 3.231 . 4.536 3.511 3.409 3.608 . 0 0 "[ . 1]" 1
1075 1 17 LEU QD 1 46 ILE QG 3.015 . 4.151 3.750 3.552 4.328 0.177 7 0 "[ . 1]" 1
1076 2 17 LEU QD 2 46 ILE QG 3.015 . 4.151 3.741 3.554 4.346 0.195 7 0 "[ . 1]" 1
1077 1 17 LEU H 1 17 LEU QD 2.988 . 4.104 2.072 1.775 2.595 0.152 7 0 "[ . 1]" 1
1078 2 17 LEU H 2 17 LEU QD 2.988 . 4.104 2.068 1.787 2.465 0.140 7 0 "[ . 1]" 1
1079 1 17 LEU QD 1 18 ASP H 3.187 . 6.000 3.905 3.660 4.068 . 0 0 "[ . 1]" 1
1080 2 17 LEU QD 2 18 ASP H 3.187 . 6.000 3.888 3.671 4.058 . 0 0 "[ . 1]" 1
1081 1 17 LEU QD 1 49 TRP QB 3.497 . 3.758 2.080 1.911 2.337 0.067 2 0 "[ . 1]" 1
1082 2 17 LEU QD 2 49 TRP QB 3.497 . 3.758 2.096 1.900 2.339 0.078 2 0 "[ . 1]" 1
1083 1 9 PHE QB 1 17 LEU QD 3.503 . 5.037 3.028 2.063 3.675 . 0 0 "[ . 1]" 1
1084 2 9 PHE QB 2 17 LEU QD 3.503 . 5.037 3.042 1.980 3.674 0.011 4 0 "[ . 1]" 1
1085 1 17 LEU QD 1 45 GLN HE21 3.880 . 5.761 5.900 4.937 6.555 0.794 10 2 "[ . - +]" 1
1086 2 17 LEU QD 2 45 GLN HE21 3.880 . 5.761 5.905 4.746 6.581 0.820 10 2 "[ . - +]" 1
1087 1 17 LEU QD 1 49 TRP HE1 3.719 . 5.448 4.378 3.886 4.870 . 0 0 "[ . 1]" 1
1088 2 17 LEU QD 2 49 TRP HE1 3.719 . 5.448 4.385 3.882 4.973 . 0 0 "[ . 1]" 1
1089 1 18 ASP HA 1 21 PHE H 3.254 . 4.578 4.132 3.742 5.023 0.445 9 0 "[ . 1]" 1
1090 2 18 ASP HA 2 21 PHE H 3.254 . 4.578 4.114 3.733 5.031 0.453 9 0 "[ . 1]" 1
1091 1 18 ASP HA 1 49 TRP HE1 3.409 . 4.861 4.624 3.334 6.286 1.425 7 1 "[ . + 1]" 1
1092 2 18 ASP HA 2 49 TRP HE1 3.409 . 4.861 4.557 3.362 6.338 1.477 7 2 "[ - . + 1]" 1
1093 1 20 ALA HA 1 21 PHE H 3.206 . 4.491 3.495 3.328 3.613 . 0 0 "[ . 1]" 1
1094 2 20 ALA HA 2 21 PHE H 3.206 . 4.491 3.498 3.311 3.612 . 0 0 "[ . 1]" 1
1095 1 20 ALA MB 1 26 ARG QD 3.077 . 4.260 3.458 2.043 6.464 2.204 9 1 "[ . +1]" 1
1096 2 20 ALA MB 2 26 ARG QD 3.077 . 4.260 3.535 2.032 6.239 1.979 9 1 "[ . +1]" 1
1097 1 20 ALA MB 2 19 LEU QD 2.758 . 3.709 2.170 1.970 2.560 . 0 0 "[ . 1]" 1
1098 1 19 LEU QD 2 20 ALA MB 2.758 . 3.709 2.205 1.986 2.483 . 0 0 "[ . 1]" 1
1099 1 20 ALA MB 1 39 LEU QD 2.654 . 6.000 5.299 4.027 6.028 0.028 3 0 "[ . 1]" 1
1100 2 20 ALA MB 2 39 LEU QD 2.654 . 6.000 5.237 3.476 6.055 0.055 3 0 "[ . 1]" 1
1101 1 17 LEU QD 1 20 ALA MB 2.627 . 6.000 3.957 3.422 4.744 . 0 0 "[ . 1]" 1
1102 2 17 LEU QD 2 20 ALA MB 2.627 . 6.000 3.868 3.421 4.718 . 0 0 "[ . 1]" 1
1103 1 20 ALA MB 1 50 PHE QE 2.974 . 4.080 4.336 2.605 5.914 1.834 1 4 "[+- *. * 1]" 1
1104 2 20 ALA MB 2 50 PHE QE 2.974 . 4.080 4.299 2.600 5.914 1.834 1 4 "[+- *. * 1]" 1
1105 1 58 GLY HA2 1 59 TRP HA 3.027 . 6.000 4.854 4.672 4.991 . 0 0 "[ . 1]" 1
1106 2 58 GLY HA2 2 59 TRP HA 3.027 . 6.000 4.852 4.672 4.990 . 0 0 "[ . 1]" 1
1107 1 59 TRP HA 1 60 SER HA 3.085 . 6.000 4.406 4.257 4.553 . 0 0 "[ . 1]" 1
1108 2 59 TRP HA 2 60 SER HA 3.085 . 6.000 4.404 4.256 4.552 . 0 0 "[ . 1]" 1
1109 1 26 ARG HA 1 31 TRP HA 2.910 . 6.000 5.189 4.269 7.803 1.803 9 1 "[ . +1]" 1
1110 2 26 ARG HA 2 31 TRP HA 2.910 . 6.000 5.187 4.268 7.802 1.802 9 1 "[ . +1]" 1
1111 1 27 LEU HA 1 32 ARG H 3.148 . 4.387 4.711 3.355 5.211 0.824 8 4 "[ * - + *]" 1
1112 2 27 LEU HA 2 32 ARG H 3.148 . 4.387 4.722 3.382 5.210 0.823 8 4 "[ *- . + *]" 1
1113 1 27 LEU HA 1 50 PHE QB 3.244 . 6.000 5.420 4.761 6.210 0.210 9 0 "[ . 1]" 1
1114 2 27 LEU HA 2 50 PHE QB 3.244 . 6.000 5.439 4.760 6.243 0.243 9 0 "[ . 1]" 1
1115 1 28 THR HA 1 28 THR HB 2.462 . 3.220 2.525 2.445 3.062 . 0 0 "[ . 1]" 1
1116 2 28 THR HA 2 28 THR HB 2.462 . 3.220 2.525 2.445 3.063 . 0 0 "[ . 1]" 1
1117 1 28 THR HB 1 30 GLU QB 3.161 . 4.410 4.517 4.064 4.949 0.539 2 1 "[ + . 1]" 1
1118 2 28 THR HB 2 30 GLU QB 3.161 . 4.410 4.529 4.066 4.975 0.565 5 2 "[ - + 1]" 1
1119 1 28 THR HB 1 30 GLU H 3.309 . 4.677 3.456 3.058 3.871 . 0 0 "[ . 1]" 1
1120 2 28 THR HB 2 30 GLU H 3.309 . 4.677 3.456 3.046 3.837 . 0 0 "[ . 1]" 1
1121 1 28 THR H 1 28 THR HB 3.508 . 5.046 3.542 2.382 3.740 . 0 0 "[ . 1]" 1
1122 2 28 THR H 2 28 THR HB 3.508 . 5.046 3.545 2.403 3.739 . 0 0 "[ . 1]" 1
1123 1 28 THR HA 1 29 PRO HA 3.436 . 4.912 4.327 4.280 4.392 . 0 0 "[ . 1]" 1
1124 2 28 THR HA 2 29 PRO HA 3.436 . 4.912 4.328 4.283 4.389 . 0 0 "[ . 1]" 1
1125 1 29 PRO HA 1 33 ARG H 3.470 . 4.975 4.228 3.768 5.050 0.075 7 0 "[ . 1]" 1
1126 2 29 PRO HA 2 33 ARG H 3.470 . 4.975 4.231 3.769 5.069 0.094 7 0 "[ . 1]" 1
1127 1 29 PRO HA 1 32 ARG H 3.162 . 4.412 3.509 3.189 4.215 . 0 0 "[ . 1]" 1
1128 2 29 PRO HA 2 32 ARG H 3.162 . 4.412 3.511 3.167 4.414 0.002 4 0 "[ . 1]" 1
1129 1 10 SER HB3 1 12 GLU H 3.227 . 4.528 3.096 2.488 3.804 . 0 0 "[ . 1]" 1
1130 2 10 SER HB3 2 12 GLU H 3.227 . 4.528 3.120 2.492 3.807 . 0 0 "[ . 1]" 1
1131 1 10 SER HB2 1 12 GLU H 3.151 . 4.392 4.093 3.332 5.070 0.678 6 1 "[ .+ 1]" 1
1132 2 10 SER HB2 2 12 GLU H 3.151 . 4.392 4.131 3.333 5.073 0.681 6 1 "[ .+ 1]" 1
1133 1 10 SER HB2 1 13 GLN H 3.530 . 5.088 4.393 3.538 5.056 . 0 0 "[ . 1]" 1
1134 2 10 SER HB2 2 13 GLN H 3.530 . 5.088 4.392 3.534 5.066 . 0 0 "[ . 1]" 1
1135 1 49 TRP HE1 1 64 PHE HA 3.027 . 6.000 6.937 4.858 8.590 2.590 7 7 "[*-* .*+**1]" 1
1136 2 49 TRP HE1 2 64 PHE HA 3.027 . 6.000 6.927 4.876 8.576 2.576 7 7 "[*-* .*+**1]" 1
1137 1 55 GLN H 1 59 TRP QB 2.813 . 6.000 5.765 4.638 7.146 1.146 6 1 "[ .+ 1]" 1
1138 2 55 GLN H 2 59 TRP QB 2.813 . 6.000 5.763 4.635 7.139 1.139 6 1 "[ .+ 1]" 1
1139 1 49 TRP QB 1 50 PHE H 3.485 . 4.455 2.726 2.480 2.956 . 0 0 "[ . 1]" 1
1140 2 49 TRP QB 2 50 PHE H 3.485 . 4.455 2.727 2.476 2.987 . 0 0 "[ . 1]" 1
1141 1 54 GLU HA 1 59 TRP QB 3.184 . 6.000 5.242 4.249 5.857 . 0 0 "[ . 1]" 1
1142 2 54 GLU HA 2 59 TRP QB 3.184 . 6.000 5.245 4.197 5.923 . 0 0 "[ . 1]" 1
1143 1 32 ARG HA 1 36 SER QB 3.413 . 4.869 4.998 4.269 5.714 0.845 1 2 "[+ . -]" 1
1144 2 32 ARG HA 2 36 SER QB 3.413 . 4.869 5.032 4.325 5.708 0.839 1 2 "[+ . -]" 1
1145 1 32 ARG HA 1 35 LEU QD 3.571 . 5.165 3.108 2.406 4.213 . 0 0 "[ . 1]" 1
1146 2 32 ARG HA 2 35 LEU QD 3.571 . 5.165 3.100 2.455 4.210 . 0 0 "[ . 1]" 1
1147 1 32 ARG HA 1 33 ARG H 3.429 . 4.898 3.595 3.537 3.641 . 0 0 "[ . 1]" 1
1148 2 32 ARG HA 2 33 ARG H 3.429 . 4.898 3.594 3.538 3.646 . 0 0 "[ . 1]" 1
1149 1 32 ARG HA 1 35 LEU H 3.543 . 5.113 3.571 3.320 3.970 . 0 0 "[ . 1]" 1
1150 2 32 ARG HA 2 35 LEU H 3.543 . 5.113 3.573 3.332 3.935 . 0 0 "[ . 1]" 1
1151 1 32 ARG QB 1 32 ARG HD2 3.543 . 5.113 2.277 2.154 2.480 . 0 0 "[ . 1]" 1
1152 2 32 ARG QB 2 32 ARG HD2 3.543 . 5.113 2.277 2.159 2.486 . 0 0 "[ . 1]" 1
1153 1 52 ARG HA 1 55 GLN H 2.891 . 3.935 3.476 3.100 3.897 . 0 0 "[ . 1]" 1
1154 2 52 ARG HA 2 55 GLN H 2.891 . 3.935 3.473 3.129 3.900 . 0 0 "[ . 1]" 1
1155 1 61 HIS QB 1 61 HIS HD1 3.011 . 4.144 2.617 2.438 2.794 . 0 0 "[ . 1]" 1
1156 2 61 HIS QB 2 61 HIS HD1 3.011 . 4.144 2.615 2.438 2.794 . 0 0 "[ . 1]" 1
1157 1 53 LYS HA 1 53 LYS QG 3.134 . 4.362 2.488 2.009 2.798 . 0 0 "[ . 1]" 1
1158 2 53 LYS HA 2 53 LYS QG 3.134 . 4.362 2.492 2.009 2.853 . 0 0 "[ . 1]" 1
1159 1 35 LEU QB 1 35 LEU QD 3.634 . 5.125 1.942 1.917 1.970 0.083 3 0 "[ . 1]" 1
1160 2 35 LEU QB 2 35 LEU QD 3.634 . 5.125 1.942 1.916 1.971 0.084 3 0 "[ . 1]" 1
1161 1 39 LEU H 1 39 LEU QB 3.408 . 4.860 2.238 2.176 2.355 . 0 0 "[ . 1]" 1
1162 2 39 LEU H 2 39 LEU QB 3.408 . 4.860 2.245 2.197 2.360 . 0 0 "[ . 1]" 1
1163 1 17 LEU HA 1 39 LEU QD 2.873 . 3.905 4.512 3.539 4.834 0.929 2 8 "[-+* ** ***]" 1
1164 2 17 LEU HA 2 39 LEU QD 2.873 . 3.905 4.522 3.560 4.833 0.928 2 8 "[-+* ** ***]" 1
1165 1 39 LEU QD 1 40 GLY QA 2.950 . 6.000 4.165 4.003 4.377 . 0 0 "[ . 1]" 1
1166 2 39 LEU QD 2 40 GLY QA 2.950 . 6.000 4.166 4.014 4.374 . 0 0 "[ . 1]" 1
1167 1 36 SER HA 1 39 LEU QD 3.069 . 4.246 3.473 3.237 3.844 . 0 0 "[ . 1]" 1
1168 2 36 SER HA 2 39 LEU QD 3.069 . 4.246 3.483 3.236 3.898 . 0 0 "[ . 1]" 1
1169 1 9 PHE QD 1 39 LEU QD 2.977 . 4.084 4.934 4.352 5.505 1.421 5 8 "[ **+*-***]" 1
1170 2 9 PHE QD 2 39 LEU QD 2.977 . 4.084 4.940 4.354 5.498 1.414 5 8 "[ **+*-***]" 1
1171 1 39 LEU QD 1 46 ILE H 3.351 . 4.755 5.454 5.292 5.657 0.902 4 10 [***+*-****] 1
1172 2 39 LEU QD 2 46 ILE H 3.351 . 4.755 5.452 5.283 5.692 0.937 4 10 [***+*-****] 1
1173 1 4 ARG QD 1 40 GLY QA 3.653 . 5.321 4.164 2.075 6.869 1.548 5 2 "[ -+ 1]" 1
1174 2 4 ARG QD 2 40 GLY QA 3.653 . 5.321 4.158 2.074 6.875 1.554 5 2 "[ -+ 1]" 1
1175 1 41 LEU QB 1 45 GLN QB 3.665 . 4.592 2.188 1.922 2.740 0.064 5 0 "[ . 1]" 1
1176 2 41 LEU QB 2 45 GLN QB 3.665 . 4.592 2.186 1.911 2.754 0.075 5 0 "[ . 1]" 1
1177 1 41 LEU QB 1 42 ASN H 3.368 . 4.516 2.202 2.112 2.265 . 0 0 "[ . 1]" 1
1178 2 41 LEU QB 2 42 ASN H 3.368 . 4.516 2.205 2.112 2.265 . 0 0 "[ . 1]" 1
1179 1 27 LEU QD 1 50 PHE H 3.276 . 4.618 4.383 3.993 5.201 0.583 9 1 "[ . +1]" 1
1180 2 27 LEU QD 2 50 PHE H 3.276 . 4.618 4.394 4.006 5.206 0.588 9 1 "[ . +1]" 1
1181 1 27 LEU QD 1 32 ARG H 2.986 . 5.396 4.754 3.128 5.262 . 0 0 "[ . 1]" 1
1182 2 27 LEU QD 2 32 ARG H 2.986 . 5.396 4.761 3.121 5.278 . 0 0 "[ . 1]" 1
1183 1 27 LEU QD 1 47 GLU H 2.991 . 4.109 3.911 3.450 4.440 0.331 8 0 "[ . 1]" 1
1184 2 27 LEU QD 2 47 GLU H 2.991 . 4.109 3.884 3.443 4.440 0.331 8 0 "[ . 1]" 1
1185 1 27 LEU QD 1 46 ILE H 2.936 . 6.000 5.167 4.708 5.734 . 0 0 "[ . 1]" 1
1186 2 27 LEU QD 2 46 ILE H 2.936 . 6.000 5.135 4.705 5.734 . 0 0 "[ . 1]" 1
1187 1 27 LEU QD 1 32 ARG HE 3.042 . 4.199 2.039 1.827 2.521 0.058 3 0 "[ . 1]" 1
1188 2 27 LEU QD 2 32 ARG HE 3.042 . 4.199 2.003 1.828 2.282 0.057 2 0 "[ . 1]" 1
1189 1 17 LEU QD 1 41 LEU QD 3.023 . 4.165 2.902 2.037 3.253 . 0 0 "[ . 1]" 1
1190 2 17 LEU QD 2 41 LEU QD 3.023 . 4.165 2.908 1.935 3.245 . 0 0 "[ . 1]" 1
1191 1 36 SER QB 1 42 ASN HA 3.166 . 4.419 2.795 2.450 3.605 . 0 0 "[ . 1]" 1
1192 2 36 SER QB 2 42 ASN HA 3.166 . 4.419 2.777 2.419 3.617 . 0 0 "[ . 1]" 1
1193 1 42 ASN HA 1 43 GLU HA 3.197 . 4.474 4.242 4.164 4.283 . 0 0 "[ . 1]" 1
1194 2 42 ASN HA 2 43 GLU HA 3.197 . 4.474 4.243 4.161 4.283 . 0 0 "[ . 1]" 1
1195 1 42 ASN HA 1 42 ASN HD21 3.132 . 4.358 3.694 2.302 4.474 0.116 5 0 "[ . 1]" 1
1196 2 42 ASN HA 2 42 ASN HD21 3.132 . 4.358 3.694 2.296 4.477 0.119 5 0 "[ . 1]" 1
1197 1 42 ASN HA 1 44 GLU H 3.223 . 4.521 4.284 4.123 4.597 0.076 10 0 "[ . 1]" 1
1198 2 42 ASN HA 2 44 GLU H 3.223 . 4.521 4.276 4.126 4.596 0.075 10 0 "[ . 1]" 1
1199 1 36 SER QB 1 42 ASN QB 3.608 . 6.000 4.486 4.136 5.065 . 0 0 "[ . 1]" 1
1200 2 36 SER QB 2 42 ASN QB 3.608 . 6.000 4.473 4.123 5.074 . 0 0 "[ . 1]" 1
1201 1 42 ASN QB 1 43 GLU HA 3.390 . 4.826 4.403 4.274 4.839 0.013 9 0 "[ . 1]" 1
1202 2 42 ASN QB 2 43 GLU HA 3.390 . 4.826 4.402 4.274 4.839 0.013 9 0 "[ . 1]" 1
1203 1 43 GLU HA 1 46 ILE H 3.356 . 4.764 3.201 3.036 3.497 . 0 0 "[ . 1]" 1
1204 2 43 GLU HA 2 46 ILE H 3.356 . 4.764 3.189 3.035 3.496 . 0 0 "[ . 1]" 1
1205 1 43 GLU HA 1 44 GLU H 3.191 . 4.464 3.559 3.515 3.627 . 0 0 "[ . 1]" 1
1206 2 43 GLU HA 2 44 GLU H 3.191 . 4.464 3.558 3.515 3.627 . 0 0 "[ . 1]" 1
1207 1 53 LYS HE2 1 53 LYS QG 3.642 . 5.300 2.679 2.219 3.488 . 0 0 "[ . 1]" 1
1208 2 53 LYS HE2 2 53 LYS QG 3.642 . 5.300 2.681 2.231 3.511 . 0 0 "[ . 1]" 1
1209 1 44 GLU H 1 45 GLN QB 3.770 . 6.000 4.774 4.733 4.879 . 0 0 "[ . 1]" 1
1210 2 44 GLU H 2 45 GLN QB 3.770 . 6.000 4.775 4.724 4.877 . 0 0 "[ . 1]" 1
1211 1 12 GLU H 1 13 GLN QB 4.229 . 6.465 4.645 4.367 4.899 . 0 0 "[ . 1]" 1
1212 2 12 GLU H 2 13 GLN QB 4.229 . 6.465 4.693 4.385 4.975 . 0 0 "[ . 1]" 1
1213 1 45 GLN QB 1 46 ILE H 3.269 . 4.604 3.236 3.170 3.340 . 0 0 "[ . 1]" 1
1214 2 45 GLN QB 2 46 ILE H 3.269 . 4.604 3.231 3.172 3.333 . 0 0 "[ . 1]" 1
1215 1 45 GLN QB 1 45 GLN HE22 3.403 . 4.851 3.440 3.181 3.498 . 0 0 "[ . 1]" 1
1216 2 45 GLN QB 2 45 GLN HE22 3.403 . 4.851 3.438 3.161 3.501 . 0 0 "[ . 1]" 1
1217 1 9 PHE QD 1 13 GLN QB 4.171 . 6.345 4.191 3.641 4.701 . 0 0 "[ . 1]" 1
1218 2 9 PHE QD 2 13 GLN QB 4.171 . 6.345 4.188 3.643 4.753 . 0 0 "[ . 1]" 1
1219 1 4 ARG HA 1 13 GLN QB 4.059 . 6.119 5.386 4.672 5.998 . 0 0 "[ . 1]" 1
1220 2 4 ARG HA 2 13 GLN QB 4.059 . 6.119 5.403 4.630 5.976 . 0 0 "[ . 1]" 1
1221 1 42 ASN H 1 45 GLN QG 3.405 . 4.854 2.793 2.435 3.690 . 0 0 "[ . 1]" 1
1222 2 42 ASN H 2 45 GLN QG 3.405 . 4.854 2.794 2.452 3.692 . 0 0 "[ . 1]" 1
1223 1 17 LEU QD 1 46 ILE HA 3.254 . 4.578 2.255 1.931 3.022 . 0 0 "[ . 1]" 1
1224 2 17 LEU QD 2 46 ILE HA 3.254 . 4.578 2.256 1.934 3.051 . 0 0 "[ . 1]" 1
1225 1 46 ILE H 1 46 ILE HB 2.916 . 3.979 2.435 2.390 2.465 . 0 0 "[ . 1]" 1
1226 2 46 ILE H 2 46 ILE HB 2.916 . 3.979 2.437 2.403 2.469 . 0 0 "[ . 1]" 1
1227 1 17 LEU QD 1 46 ILE MD 2.933 . 4.008 2.073 1.879 2.594 . 0 0 "[ . 1]" 1
1228 2 17 LEU QD 2 46 ILE MD 2.933 . 4.008 2.066 1.887 2.616 . 0 0 "[ . 1]" 1
1229 1 35 LEU QD 1 46 ILE MD 3.000 . 4.125 2.444 2.035 3.119 . 0 0 "[ . 1]" 1
1230 2 35 LEU QD 2 46 ILE MD 3.000 . 4.125 2.442 2.035 3.008 . 0 0 "[ . 1]" 1
1231 1 45 GLN QG 1 46 ILE MD 2.989 . 6.000 5.300 5.088 5.511 . 0 0 "[ . 1]" 1
1232 2 45 GLN QG 2 46 ILE MD 2.989 . 6.000 5.302 5.112 5.515 . 0 0 "[ . 1]" 1
1233 1 35 LEU HA 1 46 ILE MD 2.858 . 6.000 4.935 4.335 5.736 . 0 0 "[ . 1]" 1
1234 2 35 LEU HA 2 46 ILE MD 2.858 . 6.000 4.947 4.366 5.755 . 0 0 "[ . 1]" 1
1235 1 9 PHE QB 1 46 ILE MD 3.595 . 5.210 4.365 3.894 4.769 . 0 0 "[ . 1]" 1
1236 2 9 PHE QB 2 46 ILE MD 3.595 . 5.210 4.360 3.860 4.787 . 0 0 "[ . 1]" 1
1237 1 36 SER HG 1 46 ILE MD 2.915 . 3.977 4.649 2.671 5.599 1.622 4 7 "[ **+- ***]" 1
1238 2 36 SER HG 2 46 ILE MD 2.915 . 3.977 4.670 2.659 5.838 1.861 4 7 "[ **+- ***]" 1
1239 1 46 ILE H 1 46 ILE MD 2.667 . 3.556 3.315 3.239 3.356 . 0 0 "[ . 1]" 1
1240 2 46 ILE H 2 46 ILE MD 2.667 . 3.556 3.317 3.243 3.356 . 0 0 "[ . 1]" 1
1241 1 35 LEU H 1 46 ILE MD 3.044 . 4.202 4.797 4.291 5.122 0.920 2 7 "[*+****- 1]" 1
1242 2 35 LEU H 2 46 ILE MD 3.044 . 4.202 4.807 4.289 5.239 1.037 4 7 "[***+**- 1]" 1
1243 1 44 GLU H 1 46 ILE MD 3.634 . 5.285 6.036 5.952 6.128 0.843 4 10 [***+-*****] 1
1244 2 44 GLU H 2 46 ILE MD 3.634 . 5.285 6.042 5.938 6.164 0.879 4 10 [***+-*****] 1
1245 1 43 GLU H 1 46 ILE MD 3.136 . 4.366 5.599 5.418 5.785 1.419 4 10 [***+-*****] 1
1246 2 43 GLU H 2 46 ILE MD 3.136 . 4.366 5.611 5.396 5.867 1.501 4 10 [***+-*****] 1
1247 1 35 LEU QD 1 46 ILE MG 2.866 . 3.893 2.567 2.021 3.343 . 0 0 "[ . 1]" 1
1248 2 35 LEU QD 2 46 ILE MG 2.866 . 3.893 2.565 2.037 3.204 . 0 0 "[ . 1]" 1
1249 1 17 LEU QD 1 46 ILE MG 3.202 . 4.483 2.639 2.006 3.682 . 0 0 "[ . 1]" 1
1250 2 17 LEU QD 2 46 ILE MG 3.202 . 4.483 2.633 2.012 3.707 . 0 0 "[ . 1]" 1
1251 1 46 ILE MD 1 46 ILE MG 2.022 . 2.533 1.757 1.691 1.820 . 0 0 "[ . 1]" 1
1252 2 46 ILE MD 2 46 ILE MG 2.022 . 2.533 1.755 1.695 1.813 . 0 0 "[ . 1]" 1
1253 1 46 ILE MG 1 50 PHE QD 2.810 . 3.797 4.102 2.989 4.792 0.995 7 4 "[** . +- 1]" 1
1254 2 46 ILE MG 2 50 PHE QD 2.810 . 3.797 4.068 2.978 4.796 0.999 7 4 "[** . +- 1]" 1
1255 1 46 ILE MG 1 47 GLU H 2.813 . 3.802 3.389 3.332 3.437 . 0 0 "[ . 1]" 1
1256 2 46 ILE MG 2 47 GLU H 2.813 . 3.802 3.398 3.337 3.441 . 0 0 "[ . 1]" 1
1257 1 32 ARG H 1 46 ILE MG 3.524 . 5.077 5.065 4.304 5.958 0.881 10 1 "[ . +]" 1
1258 2 32 ARG H 2 46 ILE MG 3.524 . 5.077 5.117 4.328 5.992 0.915 10 2 "[ - +]" 1
1259 1 46 ILE MG 1 50 PHE H 3.323 . 4.703 4.072 3.834 4.287 . 0 0 "[ . 1]" 1
1260 2 46 ILE MG 2 50 PHE H 3.323 . 4.703 4.059 3.832 4.292 . 0 0 "[ . 1]" 1
1261 1 47 GLU HA 1 50 PHE H 3.408 . 4.860 3.635 3.130 3.949 . 0 0 "[ . 1]" 1
1262 2 47 GLU HA 2 50 PHE H 3.408 . 4.860 3.644 3.132 4.019 . 0 0 "[ . 1]" 1
1263 1 47 GLU HA 1 47 GLU HB3 2.472 . 3.236 2.511 2.497 2.520 . 0 0 "[ . 1]" 1
1264 2 47 GLU HA 2 47 GLU HB3 2.472 . 3.236 2.512 2.503 2.520 . 0 0 "[ . 1]" 1
1265 1 47 GLU H 1 47 GLU HG2 2.434 . 3.174 3.346 3.269 3.461 0.287 1 0 "[ . 1]" 1
1266 2 47 GLU H 2 47 GLU HG2 2.434 . 3.174 3.350 3.275 3.465 0.291 1 0 "[ . 1]" 1
1267 1 47 GLU HA 1 47 GLU HG2 2.325 . 3.001 2.474 2.447 2.512 . 0 0 "[ . 1]" 1
1268 2 47 GLU HA 2 47 GLU HG2 2.325 . 3.001 2.475 2.444 2.510 . 0 0 "[ . 1]" 1
1269 1 48 ARG H 1 48 ARG HA 2.346 . 3.034 2.821 2.763 2.864 . 0 0 "[ . 1]" 1
1270 2 48 ARG H 2 48 ARG HA 2.346 . 3.034 2.825 2.765 2.864 . 0 0 "[ . 1]" 1
1271 1 48 ARG HA 1 48 ARG HD2 2.578 . 3.409 2.304 2.076 2.457 . 0 0 "[ . 1]" 1
1272 2 48 ARG HA 2 48 ARG HD2 2.578 . 3.409 2.308 2.103 2.474 . 0 0 "[ . 1]" 1
1273 1 48 ARG HB2 1 48 ARG HD3 1.982 . 6.000 2.526 2.493 2.557 . 0 0 "[ . 1]" 1
1274 2 48 ARG HB2 2 48 ARG HD3 1.982 . 6.000 2.523 2.477 2.554 . 0 0 "[ . 1]" 1
1275 1 52 ARG H 1 52 ARG HG2 2.848 . 3.862 2.552 2.206 4.555 0.693 6 1 "[ .+ 1]" 1
1276 2 52 ARG H 2 52 ARG HG2 2.848 . 3.862 2.542 2.181 4.557 0.695 6 1 "[ .+ 1]" 1
1277 1 53 LYS QB 1 53 LYS QG 3.572 . 4.502 2.065 2.032 2.115 . 0 0 "[ . 1]" 1
1278 2 53 LYS QB 2 53 LYS QG 3.572 . 4.502 2.065 2.032 2.116 . 0 0 "[ . 1]" 1
1279 1 53 LYS QB 1 53 LYS HE3 3.427 . 4.895 3.057 1.697 4.249 0.262 4 0 "[ . 1]" 1
1280 2 53 LYS QB 2 53 LYS HE3 3.427 . 4.895 3.057 1.684 4.267 0.275 4 0 "[ . 1]" 1
1281 1 53 LYS QB 1 54 GLU QG 4.053 . 6.106 3.317 2.402 3.903 . 0 0 "[ . 1]" 1
1282 2 53 LYS QB 2 54 GLU QG 4.053 . 6.106 3.308 2.403 3.923 . 0 0 "[ . 1]" 1
1283 1 21 PHE HZ 1 53 LYS QB 3.403 . 4.850 3.854 1.929 6.914 2.064 4 2 "[ +. - 1]" 1
1284 2 21 PHE HZ 2 53 LYS QB 3.403 . 4.850 3.740 1.916 5.810 0.960 4 2 "[ +. - 1]" 1
1285 1 21 PHE QE 1 53 LYS QB 3.816 . 5.636 3.516 2.141 5.561 . 0 0 "[ . 1]" 1
1286 2 21 PHE QE 2 53 LYS QB 3.816 . 5.636 3.377 2.143 4.150 . 0 0 "[ . 1]" 1
1287 1 53 LYS HE3 1 53 LYS QG 3.306 . 4.672 2.879 2.295 3.471 . 0 0 "[ . 1]" 1
1288 2 53 LYS HE3 2 53 LYS QG 3.306 . 4.672 2.871 2.285 3.476 . 0 0 "[ . 1]" 1
1289 1 53 LYS QD 1 53 LYS QG 3.440 . 4.858 2.074 2.015 2.119 . 0 0 "[ . 1]" 1
1290 2 53 LYS QD 2 53 LYS QG 3.440 . 4.858 2.074 2.015 2.120 . 0 0 "[ . 1]" 1
1291 1 54 GLU HA 1 54 GLU QB 2.447 . 3.097 2.251 2.172 2.389 . 0 0 "[ . 1]" 1
1292 2 54 GLU HA 2 54 GLU QB 2.447 . 3.097 2.249 2.172 2.388 . 0 0 "[ . 1]" 1
1293 1 54 GLU H 1 54 GLU QB 2.586 . 3.412 2.636 2.435 2.951 . 0 0 "[ . 1]" 1
1294 2 54 GLU H 2 54 GLU QB 2.586 . 3.412 2.638 2.420 2.941 . 0 0 "[ . 1]" 1
1295 1 54 GLU HA 1 58 GLY H 2.900 . 6.000 4.582 3.955 5.542 . 0 0 "[ . 1]" 1
1296 2 54 GLU HA 2 58 GLY H 2.900 . 6.000 4.591 3.930 5.541 . 0 0 "[ . 1]" 1
1297 1 56 GLN HA 1 56 GLN HB2 2.161 . 2.745 2.484 2.474 2.494 . 0 0 "[ . 1]" 1
1298 2 56 GLN HA 2 56 GLN HB2 2.161 . 2.745 2.487 2.473 2.499 . 0 0 "[ . 1]" 1
1299 1 56 GLN HA 1 56 GLN HG2 2.780 . 3.746 3.655 3.059 3.750 0.004 5 0 "[ . 1]" 1
1300 2 56 GLN HA 2 56 GLN HG2 2.780 . 3.746 3.644 2.965 3.749 0.003 5 0 "[ . 1]" 1
1301 1 57 ILE HB 1 58 GLY HA3 3.396 . 4.838 4.870 4.430 5.516 0.678 6 2 "[ .+ -1]" 1
1302 2 57 ILE HB 2 58 GLY HA3 3.396 . 4.838 4.876 4.429 5.519 0.681 6 2 "[ .+ -1]" 1
1303 1 58 GLY HA2 1 59 TRP QB 3.295 . 4.652 3.818 3.595 4.162 . 0 0 "[ . 1]" 1
1304 2 58 GLY HA2 2 59 TRP QB 3.295 . 4.652 3.815 3.600 4.156 . 0 0 "[ . 1]" 1
1305 1 59 TRP HA 1 59 TRP QB 2.234 . 2.791 2.369 2.348 2.399 . 0 0 "[ . 1]" 1
1306 2 59 TRP HA 2 59 TRP QB 2.234 . 2.791 2.369 2.349 2.403 . 0 0 "[ . 1]" 1
1307 1 57 ILE MG 1 59 TRP QB 3.471 . 6.000 6.155 4.546 7.384 1.384 2 4 "[*+ -* 1]" 1
1308 2 57 ILE MG 2 59 TRP QB 3.471 . 6.000 6.142 4.543 7.356 1.356 2 4 "[*+ -* 1]" 1
1309 1 61 HIS QB 1 62 PRO QD 2.800 . 6.000 3.778 3.169 3.910 . 0 0 "[ . 1]" 1
1310 2 61 HIS QB 2 62 PRO QD 2.800 . 6.000 3.777 3.168 3.907 . 0 0 "[ . 1]" 1
1311 1 60 SER HA 1 60 SER HB2 1.967 . 2.451 2.558 2.399 3.050 0.599 9 2 "[ - +1]" 1
1312 2 60 SER HA 2 60 SER HB2 1.967 . 2.451 2.558 2.399 3.051 0.600 9 2 "[ - +1]" 1
1313 1 60 SER HA 1 60 SER HB3 2.044 . 2.566 2.489 2.453 2.521 . 0 0 "[ . 1]" 1
1314 2 60 SER HA 2 60 SER HB3 2.044 . 2.566 2.488 2.451 2.521 . 0 0 "[ . 1]" 1
1315 1 60 SER HA 1 60 SER HG 3.546 . 5.117 3.594 2.866 4.036 . 0 0 "[ . 1]" 1
1316 2 60 SER HA 2 60 SER HG 3.546 . 5.117 3.593 2.844 4.034 . 0 0 "[ . 1]" 1
1317 1 61 HIS HA 1 61 HIS QB 2.332 . 2.954 2.271 2.149 2.405 . 0 0 "[ . 1]" 1
1318 2 61 HIS HA 2 61 HIS QB 2.332 . 2.954 2.269 2.148 2.405 . 0 0 "[ . 1]" 1
1319 1 54 GLU QB 1 61 HIS HA 3.431 . 4.902 4.606 3.375 6.742 1.840 6 1 "[ .+ 1]" 1
1320 2 54 GLU QB 2 61 HIS HA 3.431 . 4.902 4.616 3.310 6.732 1.830 6 1 "[ .+ 1]" 1
1321 1 63 GLN QG 1 64 PHE QD 2.748 . 6.000 4.992 4.110 6.166 0.166 6 0 "[ . 1]" 1
1322 2 63 GLN QG 2 64 PHE QD 2.748 . 6.000 4.976 4.170 6.168 0.168 6 0 "[ . 1]" 1
1323 1 66 LYS HA 1 66 LYS HE2 5.368 . 8.969 5.030 2.853 6.772 . 0 0 "[ . 1]" 1
1324 2 66 LYS HA 2 66 LYS HE2 5.368 . 8.969 5.022 2.853 6.772 . 0 0 "[ . 1]" 1
1325 2 66 LYS HA 2 66 LYS HB2 2.727 . 3.656 2.934 2.435 3.056 . 0 0 "[ . 1]" 1
1326 1 66 LYS HA 1 66 LYS HG3 2.936 . 4.013 3.235 2.273 3.742 . 0 0 "[ . 1]" 1
1327 2 66 LYS HA 2 66 LYS HG3 2.936 . 4.013 3.232 2.272 3.733 . 0 0 "[ . 1]" 1
1328 1 66 LYS QB 1 66 LYS HD3 2.764 . 3.719 2.739 2.333 3.496 . 0 0 "[ . 1]" 1
1329 2 66 LYS HB2 2 66 LYS HD3 2.764 . 3.719 3.275 2.356 4.277 0.558 1 1 "[+ . 1]" 1
1330 1 65 GLU HA 1 65 GLU QG 2.691 . 3.596 2.936 2.352 3.324 . 0 0 "[ . 1]" 1
1331 2 65 GLU HA 2 65 GLU QG 2.691 . 3.596 2.935 2.356 3.326 . 0 0 "[ . 1]" 1
1332 1 39 LEU HA 1 39 LEU QD . . 2.551 1.817 1.701 1.928 0.176 2 0 "[ . 1]" 1
1333 2 39 LEU HA 2 39 LEU QD . . 2.551 1.811 1.702 1.919 0.175 2 0 "[ . 1]" 1
1334 1 9 PHE HA 1 17 LEU QD 3.993 . 5.986 4.639 3.528 5.380 . 0 0 "[ . 1]" 1
1335 2 9 PHE HA 2 17 LEU QD 3.993 . 5.986 4.654 3.438 5.378 . 0 0 "[ . 1]" 1
1336 1 9 PHE HA 1 41 LEU QD 3.539 . 5.105 2.448 1.982 2.926 . 0 0 "[ . 1]" 1
1337 2 9 PHE HA 2 41 LEU QD 3.539 . 5.105 2.463 1.980 2.967 . 0 0 "[ . 1]" 1
1338 1 9 PHE HA 1 13 GLN QG 3.564 . 5.152 3.240 2.083 4.171 . 0 0 "[ . 1]" 1
1339 2 9 PHE HA 2 13 GLN QG 3.564 . 5.152 3.232 2.093 4.175 . 0 0 "[ . 1]" 1
1340 1 17 LEU QD 1 18 ASP HA 3.874 . 5.750 5.188 5.096 5.254 . 0 0 "[ . 1]" 1
1341 2 17 LEU QD 2 18 ASP HA 3.874 . 5.750 5.177 5.106 5.245 . 0 0 "[ . 1]" 1
1342 1 13 GLN HA 1 17 LEU QD 3.637 . 6.000 4.010 3.479 4.946 . 0 0 "[ . 1]" 1
1343 2 13 GLN HA 2 17 LEU QD 3.637 . 6.000 4.015 3.478 4.953 . 0 0 "[ . 1]" 1
1344 1 35 LEU QB 1 36 SER H 4.059 . 4.146 2.529 2.261 3.753 . 0 0 "[ . 1]" 1
1345 2 35 LEU QB 2 36 SER H 4.059 . 4.146 2.516 2.258 3.748 . 0 0 "[ . 1]" 1
1346 1 9 PHE QB 1 13 GLN QB 3.460 . 4.956 2.597 1.857 3.425 0.119 9 0 "[ . 1]" 1
1347 2 9 PHE QB 2 13 GLN QB 3.460 . 4.956 2.589 1.861 3.428 0.115 9 0 "[ . 1]" 1
1348 1 13 GLN QB 1 41 LEU QD 3.723 . 5.456 2.725 2.000 3.209 . 0 0 "[ . 1]" 1
1349 2 13 GLN QB 2 41 LEU QD 3.723 . 5.456 2.734 2.006 3.223 . 0 0 "[ . 1]" 1
1350 1 13 GLN QB 1 17 LEU QD 3.913 . 5.827 3.207 2.579 3.920 . 0 0 "[ . 1]" 1
1351 2 13 GLN QB 2 17 LEU QD 3.913 . 5.827 3.209 2.512 3.926 . 0 0 "[ . 1]" 1
1352 1 9 PHE HA 1 13 GLN QB 3.604 . 5.228 2.457 2.004 2.861 . 0 0 "[ . 1]" 1
1353 2 9 PHE HA 2 13 GLN QB 3.604 . 5.228 2.451 2.009 2.861 . 0 0 "[ . 1]" 1
1354 1 27 LEU QB 1 28 THR H 3.727 . 5.265 3.695 3.304 4.000 . 0 0 "[ . 1]" 1
1355 2 27 LEU QB 2 28 THR H 3.727 . 5.265 3.690 3.301 3.999 . 0 0 "[ . 1]" 1
1356 1 27 LEU QB 1 50 PHE QD 3.606 . 5.232 3.973 3.444 4.204 . 0 0 "[ . 1]" 1
1357 2 27 LEU QB 2 50 PHE QD 3.606 . 5.232 3.946 3.446 4.215 . 0 0 "[ . 1]" 1
1358 1 27 LEU QB 1 32 ARG HE 3.959 . 5.918 4.403 3.958 5.066 . 0 0 "[ . 1]" 1
1359 2 27 LEU QB 2 32 ARG HE 3.959 . 5.918 4.339 3.682 5.054 . 0 0 "[ . 1]" 1
1360 1 27 LEU QB 1 50 PHE QB 3.777 . 5.560 4.451 3.945 4.974 . 0 0 "[ . 1]" 1
1361 2 27 LEU QB 2 50 PHE QB 3.777 . 5.560 4.429 3.940 4.968 . 0 0 "[ . 1]" 1
1362 1 17 LEU HB2 1 49 TRP QB 3.791 . 5.369 3.826 3.141 4.528 . 0 0 "[ . 1]" 1
1363 2 17 LEU HB2 2 49 TRP QB 3.791 . 5.369 3.823 3.193 4.536 . 0 0 "[ . 1]" 1
1364 1 27 LEU QD 1 51 ARG H 3.589 . 5.199 4.832 4.125 5.595 0.396 9 0 "[ . 1]" 1
1365 2 27 LEU QD 2 51 ARG H 3.589 . 5.199 4.854 4.133 5.613 0.414 9 0 "[ . 1]" 1
1366 1 27 LEU QD 1 32 ARG HD3 3.624 . 5.265 3.552 3.215 4.082 . 0 0 "[ . 1]" 1
1367 2 27 LEU QD 2 32 ARG HD3 3.624 . 5.265 3.485 3.224 3.872 . 0 0 "[ . 1]" 1
1368 1 27 LEU QD 1 47 GLU HG2 3.362 . 4.775 2.527 1.938 3.163 0.011 4 0 "[ . 1]" 1
1369 2 27 LEU QD 2 47 GLU HG2 3.362 . 4.775 2.502 1.872 3.162 0.077 4 0 "[ . 1]" 1
1370 1 27 LEU MD1 1 27 LEU MD2 2.323 . 2.998 2.079 2.061 2.094 . 0 0 "[ . 1]" 1
1371 2 27 LEU MD1 2 27 LEU MD2 2.323 . 2.998 2.078 2.049 2.094 . 0 0 "[ . 1]" 1
1372 1 35 LEU HA 1 35 LEU QD 2.897 . 3.946 2.000 1.772 3.342 0.076 2 0 "[ . 1]" 1
1373 2 35 LEU HA 2 35 LEU QD 2.897 . 3.946 2.003 1.769 3.336 0.079 1 0 "[ . 1]" 1
1374 1 54 GLU QB 1 59 TRP QB 3.372 . 4.794 3.662 2.310 4.406 . 0 0 "[ . 1]" 1
1375 2 54 GLU QB 2 59 TRP QB 3.372 . 4.794 3.667 2.286 4.450 . 0 0 "[ . 1]" 1
1376 1 30 GLU QB 1 31 TRP HA 2.978 . 6.000 4.096 3.800 4.360 . 0 0 "[ . 1]" 1
1377 2 30 GLU QB 2 31 TRP HA 2.978 . 6.000 4.107 3.806 4.353 . 0 0 "[ . 1]" 1
1378 1 21 PHE QE 1 54 GLU QB 3.290 . 4.324 3.692 2.414 5.370 1.046 4 1 "[ +. 1]" 1
1379 2 21 PHE QE 2 54 GLU QB 3.290 . 4.324 3.607 2.423 4.445 0.121 4 0 "[ . 1]" 1
1380 1 21 PHE HZ 1 53 LYS QG 4.190 . 5.516 4.824 3.296 6.356 0.840 2 3 "[ + *. - 1]" 1
1381 2 21 PHE HZ 2 53 LYS QG 4.190 . 5.516 4.694 3.075 6.340 0.824 2 2 "[ + . - 1]" 1
1382 1 21 PHE HZ 1 54 GLU QB 3.536 . 5.099 4.038 2.017 5.823 0.724 8 2 "[ -. + 1]" 1
1383 2 21 PHE HZ 2 54 GLU QB 3.536 . 5.099 3.992 2.013 5.822 0.723 8 1 "[ . + 1]" 1
1384 1 16 ALA MB 1 35 LEU QD 3.374 . 4.797 3.454 1.950 4.085 0.035 6 0 "[ . 1]" 1
1385 2 16 ALA MB 2 35 LEU QD 3.374 . 4.797 3.470 1.955 4.141 0.030 6 0 "[ . 1]" 1
1386 1 35 LEU MD1 1 35 LEU MD2 3.173 . 4.431 2.088 2.074 2.099 . 0 0 "[ . 1]" 1
1387 2 35 LEU MD1 2 35 LEU MD2 3.173 . 4.431 2.088 2.073 2.106 . 0 0 "[ . 1]" 1
1388 1 27 LEU QD 1 35 LEU QD 3.159 . 6.000 4.046 3.188 5.170 . 0 0 "[ . 1]" 1
1389 2 27 LEU QD 2 35 LEU QD 3.159 . 6.000 4.050 3.218 5.073 . 0 0 "[ . 1]" 1
1390 1 13 GLN HA 1 39 LEU QD 2.619 . 3.476 2.853 2.067 3.645 0.169 4 0 "[ . 1]" 1
1391 2 13 GLN HA 2 39 LEU QD 2.619 . 3.476 2.871 2.076 3.714 0.238 4 0 "[ . 1]" 1
1392 1 18 ASP H 1 39 LEU QD 3.003 . 6.000 5.835 5.297 6.277 0.277 8 0 "[ . 1]" 1
1393 2 18 ASP H 2 39 LEU QD 3.003 . 6.000 5.853 5.332 6.278 0.278 8 0 "[ . 1]" 1
1394 1 36 SER HA 1 41 LEU QD 2.877 . 3.912 2.935 2.381 4.967 1.055 5 1 "[ + 1]" 1
1395 2 36 SER HA 2 41 LEU QD 2.877 . 3.912 2.928 2.360 4.961 1.049 5 1 "[ + 1]" 1
1396 1 40 GLY QA 1 41 LEU QD 2.886 . 3.927 3.002 2.868 3.648 . 0 0 "[ . 1]" 1
1397 2 40 GLY QA 2 41 LEU QD 2.886 . 3.927 2.994 2.854 3.638 . 0 0 "[ . 1]" 1
1398 1 9 PHE QB 1 41 LEU QD 3.011 . 4.144 2.491 2.082 3.035 . 0 0 "[ . 1]" 1
1399 2 9 PHE QB 2 41 LEU QD 3.011 . 4.144 2.497 2.074 3.021 . 0 0 "[ . 1]" 1
1400 1 9 PHE QB 1 39 LEU QD 3.030 . 4.178 3.632 3.235 4.123 . 0 0 "[ . 1]" 1
1401 2 9 PHE QB 2 39 LEU QD 3.030 . 4.178 3.638 3.227 4.119 . 0 0 "[ . 1]" 1
1402 1 13 GLN QG 1 41 LEU QD 2.805 . 3.788 3.152 2.172 3.765 . 0 0 "[ . 1]" 1
1403 2 13 GLN QG 2 41 LEU QD 2.805 . 3.788 3.152 2.166 3.759 . 0 0 "[ . 1]" 1
1404 1 39 LEU QB 1 39 LEU QD 2.727 . 3.531 1.931 1.906 1.942 . 0 0 "[ . 1]" 1
1405 2 39 LEU QB 2 39 LEU QD 2.727 . 3.531 1.932 1.905 1.943 . 0 0 "[ . 1]" 1
1406 1 13 GLN QG 1 39 LEU QD 2.753 . 3.700 2.893 1.947 3.883 0.183 4 0 "[ . 1]" 1
1407 2 13 GLN QG 2 39 LEU QD 2.753 . 3.700 2.900 1.936 3.916 0.216 4 0 "[ . 1]" 1
1408 1 43 GLU HB3 1 43 GLU QG 2.506 . 3.291 2.267 2.178 2.381 . 0 0 "[ . 1]" 1
1409 2 43 GLU HB3 2 43 GLU QG 2.506 . 3.291 2.267 2.178 2.380 . 0 0 "[ . 1]" 1
1410 1 28 THR HB 1 31 TRP QB 4.027 . 6.054 4.535 2.437 5.321 . 0 0 "[ . 1]" 1
1411 2 28 THR HB 2 31 TRP QB 4.027 . 6.054 4.527 2.451 5.293 . 0 0 "[ . 1]" 1
1412 1 28 THR HB 1 31 TRP H 3.995 . 5.990 4.097 3.184 4.538 . 0 0 "[ . 1]" 1
1413 2 28 THR HB 2 31 TRP H 3.995 . 5.990 4.083 3.168 4.537 . 0 0 "[ . 1]" 1
1414 1 28 THR HA 1 31 TRP QB 3.801 . 5.607 4.700 4.226 5.515 . 0 0 "[ . 1]" 1
1415 2 28 THR HA 2 31 TRP QB 3.801 . 5.607 4.716 4.224 5.514 . 0 0 "[ . 1]" 1
1416 1 57 ILE QG 1 60 SER HG 3.418 . 4.878 3.391 2.375 4.344 . 0 0 "[ . 1]" 1
1417 2 57 ILE QG 2 60 SER HG 3.418 . 4.878 3.381 2.350 4.366 . 0 0 "[ . 1]" 1
1418 1 15 LYS HA 1 15 LYS QG 2.491 . 3.266 2.299 2.126 2.483 . 0 0 "[ . 1]" 1
1419 2 15 LYS HA 2 15 LYS QG 2.491 . 3.266 2.297 2.126 2.478 . 0 0 "[ . 1]" 1
1420 1 1 MET HA 1 3 LYS QG 3.195 . 6.000 5.090 3.731 6.160 0.160 9 0 "[ . 1]" 1
1421 2 1 MET HA 2 3 LYS QG 3.195 . 6.000 5.089 3.746 6.151 0.151 9 0 "[ . 1]" 1
1422 1 57 ILE QG 1 60 SER H 2.766 . 3.722 2.911 2.021 4.480 0.758 8 1 "[ . + 1]" 1
1423 2 57 ILE QG 2 60 SER H 2.766 . 3.722 2.911 2.029 4.479 0.757 8 1 "[ . + 1]" 1
1424 1 9 PHE H 1 39 LEU HG 2.731 . 6.000 5.825 5.204 6.330 0.330 5 0 "[ . 1]" 1
1425 2 9 PHE H 2 39 LEU HG 2.731 . 6.000 5.829 5.167 6.309 0.309 5 0 "[ . 1]" 1
1426 1 56 GLN HG3 1 57 ILE HA 3.087 . 4.278 3.763 3.380 4.945 0.667 9 1 "[ . +1]" 1
1427 2 56 GLN HG3 2 57 ILE HA 3.087 . 4.278 3.773 3.381 5.000 0.722 9 1 "[ . +1]" 1
1428 1 30 GLU HA 1 30 GLU QB 2.506 . 3.291 2.385 2.370 2.400 . 0 0 "[ . 1]" 1
1429 2 30 GLU HA 2 30 GLU QB 2.506 . 3.291 2.385 2.370 2.401 . 0 0 "[ . 1]" 1
1430 1 30 GLU HA 1 30 GLU HG2 2.894 . 3.941 2.982 2.438 3.672 . 0 0 "[ . 1]" 1
1431 2 30 GLU HA 2 30 GLU HG2 2.894 . 3.941 2.987 2.440 3.682 . 0 0 "[ . 1]" 1
1432 1 30 GLU HA 1 33 ARG QD 3.039 . 4.194 3.678 2.652 4.628 0.434 7 0 "[ . 1]" 1
1433 2 30 GLU HA 2 33 ARG QD 3.039 . 4.194 3.705 2.658 4.644 0.450 7 0 "[ . 1]" 1
1434 1 42 ASN QB 1 45 GLN H 3.232 . 4.538 3.089 2.727 3.474 . 0 0 "[ . 1]" 1
1435 2 42 ASN QB 2 45 GLN H 3.232 . 4.538 3.087 2.692 3.483 . 0 0 "[ . 1]" 1
1436 1 50 PHE QB 1 50 PHE QE 3.741 . 5.490 3.875 3.862 3.887 . 0 0 "[ . 1]" 1
1437 2 50 PHE QB 2 50 PHE QE 3.741 . 5.490 3.874 3.862 3.887 . 0 0 "[ . 1]" 1
1438 1 9 PHE QB 1 45 GLN HA 3.431 . 6.000 5.538 4.754 6.111 0.111 7 0 "[ . 1]" 1
1439 2 9 PHE QB 2 45 GLN HA 3.431 . 6.000 5.548 4.807 6.095 0.095 7 0 "[ . 1]" 1
1440 1 9 PHE QB 1 45 GLN QB 3.168 . 4.423 3.430 3.067 3.720 . 0 0 "[ . 1]" 1
1441 2 9 PHE QB 2 45 GLN QB 3.168 . 4.423 3.435 3.105 3.708 . 0 0 "[ . 1]" 1
1442 1 9 PHE QB 1 14 LYS HG2 3.268 . 4.603 3.480 2.946 4.283 . 0 0 "[ . 1]" 1
1443 2 9 PHE QB 2 14 LYS HG2 3.268 . 4.603 3.476 2.946 4.276 . 0 0 "[ . 1]" 1
1444 1 14 LYS QE 1 49 TRP QB 2.502 . 6.000 4.655 3.190 5.763 . 0 0 "[ . 1]" 1
1445 2 14 LYS QE 2 49 TRP QB 2.502 . 6.000 4.661 3.183 5.749 . 0 0 "[ . 1]" 1
1446 1 7 THR HB 1 42 ASN QB 3.653 . 5.321 4.547 3.620 5.638 0.317 10 0 "[ . 1]" 1
1447 2 7 THR HB 2 42 ASN QB 3.653 . 5.321 4.566 3.624 5.632 0.311 10 0 "[ . 1]" 1
1448 1 7 THR HB 1 41 LEU HG 3.451 . 4.940 5.408 4.781 5.999 1.059 5 5 "[ - *+ * *1]" 1
1449 2 7 THR HB 2 41 LEU HG 3.451 . 4.940 5.404 4.783 5.992 1.052 5 5 "[ - *+ * *1]" 1
1450 1 7 THR HB 1 44 GLU QG 3.543 . 6.000 7.513 6.928 8.659 2.659 6 10 [*****+-***] 1
1451 2 7 THR HB 2 44 GLU QG 3.543 . 6.000 7.515 6.916 8.661 2.661 6 10 [*****+-***] 1
1452 1 7 THR HB 1 45 GLN QB 3.390 . 4.826 4.823 3.900 5.921 1.095 2 1 "[ + . 1]" 1
1453 2 7 THR HB 2 45 GLN QB 3.390 . 4.826 4.827 3.932 5.945 1.119 2 1 "[ + . 1]" 1
1454 1 7 THR HB 1 45 GLN QG 3.908 . 5.817 3.660 2.231 6.150 0.333 2 0 "[ . 1]" 1
1455 2 7 THR HB 2 45 GLN QG 3.908 . 5.817 3.665 2.269 6.181 0.364 2 0 "[ . 1]" 1
1456 1 7 THR HB 1 8 GLU H 2.602 . 6.000 4.448 4.349 4.485 . 0 0 "[ . 1]" 1
1457 2 7 THR HB 2 8 GLU H 2.602 . 6.000 4.451 4.347 4.488 . 0 0 "[ . 1]" 1
1458 1 66 LYS H 1 66 LYS HE3 3.792 . 5.589 5.143 3.827 6.440 0.851 4 1 "[ +. 1]" 1
1459 2 66 LYS H 2 66 LYS HE3 3.792 . 5.589 5.112 3.840 6.432 0.843 4 1 "[ +. 1]" 1
1460 1 18 ASP H 1 18 ASP HB3 3.139 . 4.371 2.475 2.300 2.564 . 0 0 "[ . 1]" 1
1461 2 18 ASP H 2 18 ASP HB3 3.139 . 4.371 2.487 2.310 2.565 . 0 0 "[ . 1]" 1
1462 1 49 TRP H 1 49 TRP HA 2.694 . 3.601 2.810 2.774 2.844 . 0 0 "[ . 1]" 1
1463 2 49 TRP H 2 49 TRP HA 2.694 . 3.601 2.809 2.772 2.844 . 0 0 "[ . 1]" 1
1464 1 49 TRP H 1 49 TRP QB 2.699 . 3.498 2.284 2.224 2.358 . 0 0 "[ . 1]" 1
1465 2 49 TRP H 2 49 TRP QB 2.699 . 3.498 2.286 2.225 2.355 . 0 0 "[ . 1]" 1
1466 1 41 LEU H 1 41 LEU QB 3.148 . 4.040 3.066 2.522 3.143 . 0 0 "[ . 1]" 1
1467 2 41 LEU H 2 41 LEU QB 3.148 . 4.040 3.066 2.523 3.150 . 0 0 "[ . 1]" 1
1468 1 34 TYR H 1 34 TYR QB 2.879 . 3.659 2.178 2.130 2.252 . 0 0 "[ . 1]" 1
1469 2 34 TYR H 2 34 TYR QB 2.879 . 3.659 2.177 2.117 2.259 . 0 0 "[ . 1]" 1
1470 1 34 TYR H 1 34 TYR HA 2.911 . 3.970 2.780 2.680 2.859 . 0 0 "[ . 1]" 1
1471 2 34 TYR H 2 34 TYR HA 2.911 . 3.970 2.781 2.694 2.856 . 0 0 "[ . 1]" 1
1472 1 30 GLU H 1 30 GLU QB 3.770 . 5.546 2.304 2.175 2.451 . 0 0 "[ . 1]" 1
1473 2 30 GLU H 2 30 GLU QB 3.770 . 5.546 2.309 2.203 2.451 . 0 0 "[ . 1]" 1
1474 1 31 TRP HA 1 32 ARG H 3.919 . 5.839 3.420 3.231 3.576 . 0 0 "[ . 1]" 1
1475 2 31 TRP HA 2 32 ARG H 3.919 . 5.839 3.410 3.218 3.603 . 0 0 "[ . 1]" 1
1476 1 31 TRP H 1 31 TRP QB 4.099 . 6.199 2.350 2.191 2.476 . 0 0 "[ . 1]" 1
1477 2 31 TRP H 2 31 TRP QB 4.099 . 6.199 2.354 2.188 2.475 . 0 0 "[ . 1]" 1
1478 1 27 LEU QD 1 28 THR H 3.708 . 4.862 3.578 2.499 4.046 . 0 0 "[ . 1]" 1
1479 2 27 LEU QD 2 28 THR H 3.708 . 4.862 3.567 2.508 4.146 . 0 0 "[ . 1]" 1
1480 1 28 THR H 1 28 THR MG 2.816 . 3.807 2.525 1.996 3.727 . 0 0 "[ . 1]" 1
1481 2 28 THR H 2 28 THR MG 2.816 . 3.807 2.521 2.145 3.731 . 0 0 "[ . 1]" 1
1482 1 64 PHE H 1 64 PHE HD1 3.027 . 4.172 3.094 1.702 4.962 0.790 9 1 "[ . +1]" 1
1483 2 64 PHE H 2 64 PHE HD1 3.027 . 4.172 2.869 1.716 4.497 0.325 4 0 "[ . 1]" 1
1484 1 50 PHE H 1 52 ARG H 3.244 . 4.559 4.158 4.002 4.318 . 0 0 "[ . 1]" 1
1485 2 50 PHE H 2 52 ARG H 3.244 . 4.559 4.160 4.004 4.344 . 0 0 "[ . 1]" 1
1486 1 9 PHE QE 1 49 TRP H 3.463 . 4.962 3.484 2.619 4.380 . 0 0 "[ . 1]" 1
1487 2 9 PHE QE 2 49 TRP H 3.463 . 4.962 3.493 2.600 4.399 . 0 0 "[ . 1]" 1
1488 1 49 TRP H 1 49 TRP HD1 3.547 . 5.120 5.075 4.829 5.201 0.081 4 0 "[ . 1]" 1
1489 2 49 TRP H 2 49 TRP HD1 3.547 . 5.120 5.081 4.836 5.256 0.136 4 0 "[ . 1]" 1
1490 1 44 GLU H 1 46 ILE H 3.550 . 5.126 3.966 3.841 4.148 . 0 0 "[ . 1]" 1
1491 2 44 GLU H 2 46 ILE H 3.550 . 5.126 3.962 3.839 4.145 . 0 0 "[ . 1]" 1
1492 1 9 PHE H 1 9 PHE HD2 2.893 . 3.939 3.584 2.744 4.164 0.225 2 0 "[ . 1]" 1
1493 2 9 PHE H 2 9 PHE HD2 2.893 . 3.939 3.581 2.738 4.168 0.229 2 0 "[ . 1]" 1
1494 1 66 LYS H 1 66 LYS QZ 5.367 . 8.968 4.960 3.640 5.935 . 0 0 "[ . 1]" 1
1495 2 66 LYS H 2 66 LYS QZ 5.367 . 8.968 4.929 3.412 5.936 . 0 0 "[ . 1]" 1
1496 1 52 ARG H 1 52 ARG HE 4.329 . 6.671 4.161 3.010 6.402 . 0 0 "[ . 1]" 1
1497 2 52 ARG H 2 52 ARG HE 4.329 . 6.671 4.157 3.011 6.402 . 0 0 "[ . 1]" 1
1498 1 51 ARG H 1 51 ARG HE 5.640 . 9.616 4.834 4.511 6.347 . 0 0 "[ . 1]" 1
1499 2 51 ARG H 2 51 ARG HE 5.640 . 9.616 4.839 4.509 6.346 . 0 0 "[ . 1]" 1
1500 1 48 ARG H 1 48 ARG HE 3.745 . 5.498 5.130 4.845 5.302 . 0 0 "[ . 1]" 1
1501 2 48 ARG H 2 48 ARG HE 3.745 . 5.498 5.139 4.849 5.285 . 0 0 "[ . 1]" 1
1502 1 45 GLN H 1 46 ILE H 2.835 . 3.840 2.528 2.327 2.596 . 0 0 "[ . 1]" 1
1503 2 45 GLN H 2 46 ILE H 2.835 . 3.840 2.523 2.326 2.598 . 0 0 "[ . 1]" 1
1504 1 45 GLN H 1 45 GLN HE21 4.000 . 6.000 4.925 4.472 5.103 . 0 0 "[ . 1]" 1
1505 2 45 GLN H 2 45 GLN HE21 4.000 . 6.000 4.925 4.457 5.098 . 0 0 "[ . 1]" 1
1506 1 42 ASN H 1 42 ASN HD21 3.560 . 5.144 4.560 4.148 4.807 . 0 0 "[ . 1]" 1
1507 2 42 ASN H 2 42 ASN HD21 3.560 . 5.144 4.561 4.147 4.806 . 0 0 "[ . 1]" 1
1508 1 36 SER H 1 36 SER HG 3.677 . 5.367 2.676 1.778 3.494 0.209 1 0 "[ . 1]" 1
1509 2 36 SER H 2 36 SER HG 3.677 . 5.367 2.670 1.779 3.477 0.208 1 0 "[ . 1]" 1
1510 1 33 ARG H 1 33 ARG HE 4.509 . 7.050 4.654 3.169 6.495 . 0 0 "[ . 1]" 1
1511 2 33 ARG H 2 33 ARG HE 4.509 . 7.050 4.645 3.171 6.497 . 0 0 "[ . 1]" 1
1512 1 32 ARG H 1 32 ARG HE 4.078 . 6.157 4.622 3.945 4.928 . 0 0 "[ . 1]" 1
1513 2 32 ARG H 2 32 ARG HE 4.078 . 6.157 4.614 4.079 4.909 . 0 0 "[ . 1]" 1
1514 1 40 GLY H 1 41 LEU H 2.709 . 3.626 2.254 2.018 2.468 . 0 0 "[ . 1]" 1
1515 2 40 GLY H 2 41 LEU H 2.709 . 3.626 2.254 2.011 2.471 . 0 0 "[ . 1]" 1
1516 1 39 LEU H 1 40 GLY H 2.884 . 3.924 2.525 2.189 2.719 . 0 0 "[ . 1]" 1
1517 2 39 LEU H 2 40 GLY H 2.884 . 3.924 2.507 2.187 2.719 . 0 0 "[ . 1]" 1
1518 1 8 GLU H 1 41 LEU H 3.788 . 6.000 6.721 5.758 7.905 1.905 5 8 "[*** +* *-*]" 1
1519 2 8 GLU H 2 41 LEU H 3.788 . 6.000 6.728 5.741 7.909 1.909 5 8 "[*** +* *-*]" 1
1520 1 23 PHE HA 1 24 ASP H 3.703 . 5.417 3.322 2.501 3.651 . 0 0 "[ . 1]" 1
1521 2 23 PHE HA 2 24 ASP H 3.703 . 5.417 3.322 2.496 3.656 . 0 0 "[ . 1]" 1
1522 1 38 ARG H 1 39 LEU QD 3.765 . 5.537 4.867 4.746 4.974 . 0 0 "[ . 1]" 1
1523 2 38 ARG H 2 39 LEU QD 3.765 . 5.537 4.863 4.747 4.976 . 0 0 "[ . 1]" 1
1524 1 37 GLN HA 1 38 ARG H 3.598 . 5.216 3.628 3.588 3.653 . 0 0 "[ . 1]" 1
1525 2 37 GLN HA 2 38 ARG H 3.598 . 5.216 3.630 3.595 3.654 . 0 0 "[ . 1]" 1
1526 1 66 LYS H 1 66 LYS HA 2.591 . 3.430 2.886 2.746 2.934 . 0 0 "[ . 1]" 1
1527 2 66 LYS H 2 66 LYS HA 2.591 . 3.430 2.880 2.739 2.933 . 0 0 "[ . 1]" 1
1528 1 65 GLU QB 1 66 LYS H 2.849 . 6.000 3.756 3.298 4.042 . 0 0 "[ . 1]" 1
1529 2 65 GLU QB 2 66 LYS H 2.849 . 6.000 3.766 3.297 4.124 . 0 0 "[ . 1]" 1
1530 1 66 LYS H 1 66 LYS QB 2.548 . 3.360 2.451 2.363 2.516 . 0 0 "[ . 1]" 1
1531 2 66 LYS H 2 66 LYS HB2 2.548 . 3.360 2.714 2.429 3.571 0.211 3 0 "[ . 1]" 1
1532 1 65 GLU QG 1 66 LYS H 3.283 . 4.630 3.842 2.799 4.867 0.237 8 0 "[ . 1]" 1
1533 2 65 GLU QG 2 66 LYS H 3.283 . 4.630 3.828 2.907 4.866 0.236 8 0 "[ . 1]" 1
1534 1 64 PHE HA 1 66 LYS H 3.741 . 5.490 4.291 3.568 4.992 . 0 0 "[ . 1]" 1
1535 2 64 PHE HA 2 66 LYS H 3.741 . 5.490 4.269 3.554 4.991 . 0 0 "[ . 1]" 1
1536 1 64 PHE HB3 1 66 LYS H 3.676 . 5.366 5.191 4.393 5.745 0.379 5 0 "[ . 1]" 1
1537 2 64 PHE HB3 2 66 LYS H 3.676 . 5.366 5.154 4.043 5.744 0.378 5 0 "[ . 1]" 1
1538 1 66 LYS H 1 66 LYS HG3 2.946 . 4.031 3.196 2.712 3.807 . 0 0 "[ . 1]" 1
1539 2 66 LYS H 2 66 LYS HG3 2.946 . 4.031 3.184 2.715 3.802 . 0 0 "[ . 1]" 1
1540 1 4 ARG HG2 1 8 GLU H 3.386 . 4.819 2.906 1.757 4.742 0.196 4 0 "[ . 1]" 1
1541 2 4 ARG HG2 2 8 GLU H 3.386 . 4.819 2.913 1.791 4.747 0.162 4 0 "[ . 1]" 1
1542 1 8 GLU H 1 9 PHE H 2.435 . 3.176 2.661 1.879 4.213 1.037 2 1 "[ + . 1]" 1
1543 2 8 GLU H 2 9 PHE H 2.435 . 3.176 2.660 1.876 4.215 1.039 2 1 "[ + . 1]" 1
1544 1 4 ARG HA 1 8 GLU H 2.736 . 6.000 4.574 3.441 5.219 . 0 0 "[ . 1]" 1
1545 2 4 ARG HA 2 8 GLU H 2.736 . 6.000 4.567 3.430 5.257 . 0 0 "[ . 1]" 1
1546 1 27 LEU H 1 31 TRP HA 2.694 . 6.000 6.072 5.227 7.598 1.598 9 3 "[ *- . +1]" 1
1547 2 27 LEU H 2 31 TRP HA 2.694 . 6.000 6.047 4.975 7.572 1.572 9 3 "[ *- . +1]" 1
1548 1 3 LYS H 1 4 ARG HA 2.760 . 6.000 5.115 4.812 5.369 . 0 0 "[ . 1]" 1
1549 2 3 LYS H 2 4 ARG HA 2.760 . 6.000 5.115 4.812 5.369 . 0 0 "[ . 1]" 1
1550 1 3 LYS H 1 3 LYS QG 3.492 . 5.016 2.292 1.883 3.578 0.085 2 0 "[ . 1]" 1
1551 2 3 LYS H 2 3 LYS QG 3.492 . 5.016 2.298 1.885 3.597 0.083 2 0 "[ . 1]" 1
1552 1 3 LYS H 1 3 LYS QB 2.846 . 3.858 2.736 2.398 3.244 . 0 0 "[ . 1]" 1
1553 2 3 LYS H 2 3 LYS QB 2.846 . 3.858 2.735 2.396 3.235 . 0 0 "[ . 1]" 1
1554 1 24 ASP H 1 27 LEU H 2.806 . 6.000 6.700 5.904 8.094 2.094 6 5 "[-* *.+ *1]" 1
1555 2 24 ASP H 2 27 LEU H 2.806 . 6.000 6.727 5.908 8.094 2.094 6 7 "[****-+ *1]" 1
1556 1 65 GLU H 1 66 LYS QB 3.560 . 5.144 4.266 3.886 5.760 0.616 7 1 "[ . + 1]" 1
1557 2 65 GLU H 2 66 LYS HB2 3.560 . 5.144 4.677 3.991 6.058 0.914 7 2 "[ . + -1]" 1
1558 1 26 ARG H 1 26 ARG HB2 3.580 . 5.182 2.862 2.309 4.004 . 0 0 "[ . 1]" 1
1559 2 26 ARG H 2 26 ARG HB2 3.580 . 5.182 2.871 2.308 4.005 . 0 0 "[ . 1]" 1
1560 1 64 PHE HD1 1 65 GLU H 3.493 . 5.018 4.794 3.617 5.932 0.914 9 1 "[ . +1]" 1
1561 2 64 PHE HD1 2 65 GLU H 3.493 . 5.018 4.666 3.601 5.510 0.492 6 0 "[ . 1]" 1
1562 1 64 PHE HB3 1 65 GLU H 2.680 . 3.578 3.405 2.121 4.272 0.694 9 3 "[ -* +1]" 1
1563 2 64 PHE HB3 2 65 GLU H 2.680 . 3.578 3.402 2.056 4.276 0.698 9 3 "[ -* +1]" 1
1564 1 64 PHE HB2 1 65 GLU H 2.802 . 3.783 3.059 2.018 3.870 0.087 4 0 "[ . 1]" 1
1565 2 64 PHE HB2 2 65 GLU H 2.802 . 3.783 3.065 2.019 3.889 0.106 4 0 "[ . 1]" 1
1566 1 64 PHE HA 1 65 GLU H 2.011 . 6.000 3.443 2.501 3.680 . 0 0 "[ . 1]" 1
1567 2 64 PHE HA 2 65 GLU H 2.011 . 6.000 3.437 2.457 3.681 . 0 0 "[ . 1]" 1
1568 1 19 LEU HA 2 26 ARG H 3.905 . 6.000 7.256 6.298 9.434 3.434 9 9 "[* *****-+*]" 1
1569 1 65 GLU H 1 65 GLU HA 2.406 . 3.130 2.914 2.826 2.935 . 0 0 "[ . 1]" 1
1570 2 65 GLU H 2 65 GLU HA 2.406 . 3.130 2.911 2.779 2.935 . 0 0 "[ . 1]" 1
1571 1 4 ARG H 1 4 ARG HA 2.456 . 3.210 2.819 2.717 2.926 . 0 0 "[ . 1]" 1
1572 2 4 ARG H 2 4 ARG HA 2.456 . 3.210 2.819 2.718 2.928 . 0 0 "[ . 1]" 1
1573 1 4 ARG H 1 10 SER HB2 3.284 . 4.632 4.188 3.804 4.543 . 0 0 "[ . 1]" 1
1574 2 4 ARG H 2 10 SER HB2 3.284 . 4.632 4.211 3.857 4.681 0.049 10 0 "[ . 1]" 1
1575 1 8 GLU H 1 8 GLU HA 2.338 . 3.021 2.898 2.776 2.934 . 0 0 "[ . 1]" 1
1576 2 8 GLU H 2 8 GLU HA 2.338 . 3.021 2.898 2.777 2.936 . 0 0 "[ . 1]" 1
1577 1 4 ARG H 1 10 SER HB3 3.699 . 5.409 4.464 3.187 5.773 0.364 5 0 "[ . 1]" 1
1578 2 4 ARG H 2 10 SER HB3 3.699 . 5.409 4.487 3.173 5.775 0.366 5 0 "[ . 1]" 1
1579 1 4 ARG H 1 12 GLU H 3.363 . 6.000 5.972 5.146 6.669 0.669 3 3 "[ +-. * 1]" 1
1580 2 4 ARG H 2 12 GLU H 3.363 . 6.000 6.022 5.162 6.690 0.690 3 2 "[ + . - 1]" 1
1581 1 8 GLU H 1 42 ASN H 3.595 . 6.000 6.512 5.166 7.182 1.182 6 6 "[*** -+ *]" 1
1582 2 8 GLU H 2 42 ASN H 3.595 . 6.000 6.535 5.219 7.204 1.204 1 6 "[+*- ** *]" 1
1583 1 2 GLU H 1 4 ARG HA 2.823 . 6.000 6.010 4.521 6.725 0.725 3 3 "[ + . -*1]" 1
1584 2 2 GLU H 2 4 ARG HA 2.823 . 6.000 6.012 4.530 6.727 0.727 3 3 "[ + . -*1]" 1
1585 1 2 GLU HB3 1 3 LYS H 3.739 . 5.487 3.385 2.004 4.590 . 0 0 "[ . 1]" 1
1586 2 2 GLU HB3 2 3 LYS H 3.739 . 5.487 3.405 2.000 4.584 . 0 0 "[ . 1]" 1
1587 1 2 GLU HA 1 3 LYS H 2.476 . 6.000 3.503 3.142 3.634 . 0 0 "[ . 1]" 1
1588 2 2 GLU HA 2 3 LYS H 2.476 . 6.000 3.503 3.136 3.640 . 0 0 "[ . 1]" 1
1589 1 8 GLU H 1 9 PHE QB 3.580 . 5.182 5.034 4.514 5.757 0.575 2 1 "[ + . 1]" 1
1590 2 8 GLU H 2 9 PHE QB 3.580 . 5.182 5.034 4.514 5.754 0.572 2 1 "[ + . 1]" 1
1591 1 11 GLU H 1 13 GLN QG 2.662 . 6.000 5.601 5.024 6.946 0.946 2 2 "[ + - 1]" 1
1592 2 11 GLU H 2 13 GLN QG 2.662 . 6.000 5.615 5.016 6.951 0.951 2 2 "[ + - 1]" 1
1593 1 11 GLU H 1 12 GLU QB 3.289 . 4.641 4.728 4.294 5.415 0.774 6 1 "[ .+ 1]" 1
1594 2 11 GLU H 2 12 GLU QB 3.289 . 4.641 4.707 4.294 5.408 0.767 6 1 "[ .+ 1]" 1
1595 1 11 GLU H 1 14 LYS H 3.813 . 5.631 4.728 4.504 5.019 . 0 0 "[ . 1]" 1
1596 2 11 GLU H 2 14 LYS H 3.813 . 5.631 4.721 4.501 5.035 . 0 0 "[ . 1]" 1
1597 1 11 GLU H 1 13 GLN H 3.701 . 5.413 4.224 3.957 4.610 . 0 0 "[ . 1]" 1
1598 2 11 GLU H 2 13 GLN H 3.701 . 5.413 4.235 3.965 4.608 . 0 0 "[ . 1]" 1
1599 1 52 ARG HE 1 53 LYS H 3.631 . 5.279 5.170 4.947 6.009 0.730 6 1 "[ .+ 1]" 1
1600 2 52 ARG HE 2 53 LYS H 3.631 . 5.279 5.171 4.891 6.012 0.733 6 1 "[ .+ 1]" 1
1601 1 53 LYS H 1 54 GLU HA 2.865 . 6.000 5.188 4.922 5.394 . 0 0 "[ . 1]" 1
1602 2 53 LYS H 2 54 GLU HA 2.865 . 6.000 5.181 4.875 5.388 . 0 0 "[ . 1]" 1
1603 1 13 GLN HA 1 16 ALA H 3.581 . 5.184 3.379 2.772 3.747 . 0 0 "[ . 1]" 1
1604 2 13 GLN HA 2 16 ALA H 3.581 . 5.184 3.363 2.774 3.728 . 0 0 "[ . 1]" 1
1605 1 53 LYS H 1 53 LYS QD 3.584 . 5.190 4.186 3.831 4.777 . 0 0 "[ . 1]" 1
1606 2 53 LYS H 2 53 LYS QD 3.584 . 5.190 4.186 3.830 4.782 . 0 0 "[ . 1]" 1
1607 1 53 LYS H 1 53 LYS QB 2.794 . 3.770 2.189 2.002 2.410 . 0 0 "[ . 1]" 1
1608 2 53 LYS H 2 53 LYS QB 2.794 . 3.770 2.192 2.003 2.409 . 0 0 "[ . 1]" 1
1609 1 53 LYS H 1 53 LYS QG 3.301 . 4.663 3.458 2.259 4.043 . 0 0 "[ . 1]" 1
1610 2 53 LYS H 2 53 LYS QG 3.301 . 4.663 3.458 2.264 4.043 . 0 0 "[ . 1]" 1
1611 1 53 LYS H 1 55 GLN QB 3.539 . 5.105 5.567 4.508 6.673 1.568 10 4 "[ - * * +]" 1
1612 2 53 LYS H 2 55 GLN QB 3.539 . 5.105 5.566 4.540 6.668 1.563 10 4 "[ - * * +]" 1
1613 1 52 ARG QB 1 53 LYS H 2.647 . 3.523 2.888 2.463 3.416 . 0 0 "[ . 1]" 1
1614 2 52 ARG QB 2 53 LYS H 2.647 . 3.523 2.885 2.463 3.410 . 0 0 "[ . 1]" 1
1615 1 52 ARG HG2 1 53 LYS H 3.501 . 5.033 4.589 4.333 4.789 . 0 0 "[ . 1]" 1
1616 2 52 ARG HG2 2 53 LYS H 3.501 . 5.033 4.580 4.331 4.762 . 0 0 "[ . 1]" 1
1617 1 15 LYS QB 1 16 ALA H 2.737 . 3.674 2.672 2.093 3.448 . 0 0 "[ . 1]" 1
1618 2 15 LYS QB 2 16 ALA H 2.737 . 3.674 2.661 2.098 3.453 . 0 0 "[ . 1]" 1
1619 1 16 ALA H 1 17 LEU HG 3.618 . 6.000 6.356 5.870 6.918 0.918 8 3 "[ - * + 1]" 1
1620 2 16 ALA H 2 17 LEU HG 3.618 . 6.000 6.371 5.838 6.920 0.920 8 3 "[ - * + 1]" 1
1621 1 16 ALA H 1 17 LEU HB2 3.458 . 4.953 4.679 4.236 5.055 0.102 8 0 "[ . 1]" 1
1622 2 16 ALA H 2 17 LEU HB2 3.458 . 4.953 4.714 4.248 5.056 0.103 8 0 "[ . 1]" 1
1623 1 15 LYS H 1 16 ALA H 2.761 . 3.714 2.726 2.468 3.146 . 0 0 "[ . 1]" 1
1624 2 15 LYS H 2 16 ALA H 2.761 . 3.714 2.736 2.474 3.154 . 0 0 "[ . 1]" 1
1625 1 51 ARG H 1 53 LYS H 3.470 . 4.975 4.105 3.807 4.507 . 0 0 "[ . 1]" 1
1626 2 51 ARG H 2 53 LYS H 3.470 . 4.975 4.099 3.787 4.502 . 0 0 "[ . 1]" 1
1627 1 53 LYS H 1 55 GLN H 3.135 . 4.364 4.208 3.234 4.816 0.452 10 0 "[ . 1]" 1
1628 2 53 LYS H 2 55 GLN H 3.135 . 4.364 4.209 3.223 4.815 0.451 10 0 "[ . 1]" 1
1629 1 43 GLU H 1 44 GLU HA 3.840 . 5.683 5.240 5.110 5.365 . 0 0 "[ . 1]" 1
1630 2 43 GLU H 2 44 GLU HA 3.840 . 5.683 5.235 5.108 5.366 . 0 0 "[ . 1]" 1
1631 1 36 SER QB 1 43 GLU H 3.483 . 4.999 3.517 3.129 4.114 . 0 0 "[ . 1]" 1
1632 2 36 SER QB 2 43 GLU H 3.483 . 4.999 3.501 3.116 4.124 . 0 0 "[ . 1]" 1
1633 1 42 ASN QB 1 43 GLU H 2.867 . 3.894 2.356 2.026 3.208 . 0 0 "[ . 1]" 1
1634 2 42 ASN QB 2 43 GLU H 2.867 . 3.894 2.357 2.030 3.209 . 0 0 "[ . 1]" 1
1635 1 43 GLU H 1 44 GLU QG 3.820 . 6.000 5.396 4.045 6.336 0.336 7 0 "[ . 1]" 1
1636 2 43 GLU H 2 44 GLU QG 3.820 . 6.000 5.391 4.038 6.336 0.336 7 0 "[ . 1]" 1
1637 1 43 GLU H 1 43 GLU HB3 2.755 . 3.704 3.512 3.475 3.561 . 0 0 "[ . 1]" 1
1638 2 43 GLU H 2 43 GLU HB3 2.755 . 3.704 3.514 3.476 3.562 . 0 0 "[ . 1]" 1
1639 1 43 GLU H 1 46 ILE QG 3.848 . 5.699 4.262 4.024 4.473 . 0 0 "[ . 1]" 1
1640 2 43 GLU H 2 46 ILE QG 3.848 . 5.699 4.265 4.028 4.535 . 0 0 "[ . 1]" 1
1641 1 63 GLN H 1 63 GLN QB 2.224 . 2.843 2.479 2.291 3.110 0.267 6 0 "[ . 1]" 1
1642 2 63 GLN H 2 63 GLN QB 2.224 . 2.843 2.489 2.285 3.112 0.269 6 0 "[ . 1]" 1
1643 1 25 ARG H 1 25 ARG HB2 3.863 . 5.728 3.336 2.479 3.811 . 0 0 "[ . 1]" 1
1644 2 25 ARG H 2 25 ARG HB2 3.863 . 5.728 3.333 2.475 3.826 . 0 0 "[ . 1]" 1
1645 1 62 PRO QD 1 63 GLN H 3.545 . 4.669 3.094 2.279 4.948 0.279 3 0 "[ . 1]" 1
1646 2 62 PRO QD 2 63 GLN H 3.545 . 4.669 3.073 2.283 4.950 0.281 3 0 "[ . 1]" 1
1647 1 61 HIS QB 1 63 GLN H 3.868 . 5.350 4.116 3.389 5.330 . 0 0 "[ . 1]" 1
1648 2 61 HIS QB 2 63 GLN H 3.868 . 5.350 4.125 3.383 5.337 . 0 0 "[ . 1]" 1
1649 1 5 PRO HA 1 6 ARG H 1.880 . 6.000 3.435 2.618 3.671 . 0 0 "[ . 1]" 1
1650 2 5 PRO HA 2 6 ARG H 1.880 . 6.000 3.435 2.621 3.671 . 0 0 "[ . 1]" 1
1651 1 4 ARG HA 1 6 ARG H 2.745 . 6.000 4.531 3.084 6.373 0.373 9 0 "[ . 1]" 1
1652 2 4 ARG HA 2 6 ARG H 2.745 . 6.000 4.532 3.107 6.374 0.374 9 0 "[ . 1]" 1
1653 1 39 LEU QD 1 49 TRP H 3.694 . 6.000 6.529 6.209 6.803 0.803 4 6 "[** +* *-1]" 1
1654 2 39 LEU QD 2 49 TRP H 3.694 . 6.000 6.531 6.194 6.822 0.822 4 6 "[-* +* **1]" 1
1655 1 48 ARG HB2 1 49 TRP H 2.682 . 3.581 2.893 2.748 3.076 . 0 0 "[ . 1]" 1
1656 2 48 ARG HB2 2 49 TRP H 2.682 . 3.581 2.900 2.749 3.082 . 0 0 "[ . 1]" 1
1657 1 48 ARG QG 1 49 TRP H 3.391 . 4.829 4.515 4.374 4.642 . 0 0 "[ . 1]" 1
1658 2 48 ARG QG 2 49 TRP H 3.391 . 4.829 4.523 4.385 4.649 . 0 0 "[ . 1]" 1
1659 1 65 GLU H 1 65 GLU QG 2.613 . 3.466 2.363 1.733 2.993 0.027 9 0 "[ . 1]" 1
1660 2 65 GLU H 2 65 GLU QG 2.613 . 3.466 2.369 1.794 3.002 . 0 0 "[ . 1]" 1
1661 1 65 GLU H 1 65 GLU QB 2.687 . 2.953 2.605 2.437 2.884 . 0 0 "[ . 1]" 1
1662 2 65 GLU H 2 65 GLU QB 2.687 . 2.953 2.601 2.346 2.883 . 0 0 "[ . 1]" 1
1663 1 55 GLN H 1 59 TRP H 3.433 . 4.906 4.721 4.316 5.083 0.177 6 0 "[ . 1]" 1
1664 2 55 GLN H 2 59 TRP H 3.433 . 4.906 4.722 4.320 5.083 0.177 6 0 "[ . 1]" 1
1665 1 58 GLY HA2 1 59 TRP H 2.313 . 6.000 3.072 2.772 3.264 . 0 0 "[ . 1]" 1
1666 2 58 GLY HA2 2 59 TRP H 2.313 . 6.000 3.070 2.772 3.263 . 0 0 "[ . 1]" 1
1667 1 59 TRP H 1 60 SER HA 3.750 . 5.508 5.253 5.139 5.336 . 0 0 "[ . 1]" 1
1668 2 59 TRP H 2 60 SER HA 3.750 . 5.508 5.252 5.123 5.332 . 0 0 "[ . 1]" 1
1669 1 59 TRP H 1 62 PRO QD 3.728 . 5.465 5.138 4.643 5.951 0.486 3 0 "[ . 1]" 1
1670 2 59 TRP H 2 62 PRO QD 3.728 . 5.465 5.135 4.628 5.932 0.467 3 0 "[ . 1]" 1
1671 1 59 TRP H 1 61 HIS QB 3.711 . 6.000 5.441 4.221 6.307 0.307 3 0 "[ . 1]" 1
1672 2 59 TRP H 2 61 HIS QB 3.711 . 6.000 5.437 4.124 6.299 0.299 3 0 "[ . 1]" 1
1673 1 54 GLU QB 1 59 TRP H 3.871 . 5.459 3.522 2.792 3.868 . 0 0 "[ . 1]" 1
1674 2 54 GLU QB 2 59 TRP H 3.871 . 5.459 3.528 2.790 3.867 . 0 0 "[ . 1]" 1
1675 1 57 ILE QG 1 59 TRP H 3.102 . 4.305 3.432 2.639 4.816 0.511 8 1 "[ . + 1]" 1
1676 2 57 ILE QG 2 59 TRP H 3.102 . 4.305 3.451 2.642 4.816 0.511 8 1 "[ . + 1]" 1
1677 1 57 ILE MG 1 59 TRP H 3.067 . 4.243 4.219 2.417 5.840 1.597 2 4 "[*+ -* 1]" 1
1678 2 57 ILE MG 2 59 TRP H 3.067 . 4.243 4.203 2.412 5.776 1.533 2 4 "[*+ -* 1]" 1
1679 1 9 PHE QB 1 10 SER H 3.367 . 4.784 3.432 3.031 4.049 . 0 0 "[ . 1]" 1
1680 2 9 PHE QB 2 10 SER H 3.367 . 4.784 3.431 3.034 4.047 . 0 0 "[ . 1]" 1
1681 1 10 SER H 1 13 GLN QB 3.217 . 4.511 2.391 1.927 2.954 . 0 0 "[ . 1]" 1
1682 2 10 SER H 2 13 GLN QB 3.217 . 4.511 2.404 1.908 2.958 0.015 4 0 "[ . 1]" 1
1683 1 63 GLN H 1 63 GLN QG 2.527 . 3.325 2.229 1.702 3.048 0.027 9 0 "[ . 1]" 1
1684 2 63 GLN H 2 63 GLN QG 2.527 . 3.325 2.208 1.535 3.056 0.194 9 0 "[ . 1]" 1
1685 1 5 PRO HB3 1 6 ARG H 2.787 . 3.758 3.766 2.823 4.512 0.754 7 2 "[ -. + 1]" 1
1686 2 5 PRO HB3 2 6 ARG H 2.787 . 3.758 3.764 2.831 4.513 0.755 7 2 "[ -. + 1]" 1
1687 1 62 PRO HB2 1 63 GLN H 2.800 . 6.000 4.136 3.769 4.376 . 0 0 "[ . 1]" 1
1688 2 62 PRO HB2 2 63 GLN H 2.800 . 6.000 4.123 3.767 4.380 . 0 0 "[ . 1]" 1
1689 1 6 ARG H 1 6 ARG QG 2.559 . 3.377 2.918 2.039 3.769 0.392 5 0 "[ . 1]" 1
1690 2 6 ARG H 2 6 ARG QG 2.559 . 3.377 2.915 2.047 3.769 0.392 5 0 "[ . 1]" 1
1691 1 6 ARG H 1 6 ARG QB 2.099 . 2.650 2.515 2.338 3.111 0.461 1 0 "[ . 1]" 1
1692 2 6 ARG H 2 6 ARG QB 2.099 . 2.650 2.515 2.340 3.109 0.459 1 0 "[ . 1]" 1
1693 1 49 TRP H 1 52 ARG QB 3.482 . 4.998 4.776 4.593 5.292 0.294 10 0 "[ . 1]" 1
1694 2 49 TRP H 2 52 ARG QB 3.482 . 4.998 4.788 4.602 5.307 0.309 10 0 "[ . 1]" 1
1695 1 57 ILE QG 1 61 HIS H 3.879 . 5.760 3.151 2.256 3.963 . 0 0 "[ . 1]" 1
1696 2 57 ILE QG 2 61 HIS H 3.879 . 5.760 3.156 2.256 3.962 . 0 0 "[ . 1]" 1
1697 1 14 LYS HG2 1 17 LEU H 3.763 . 6.000 5.811 5.190 6.241 0.241 8 0 "[ . 1]" 1
1698 2 14 LYS HG2 2 17 LEU H 3.763 . 6.000 5.796 4.997 6.237 0.237 8 0 "[ . 1]" 1
1699 1 57 ILE MG 1 61 HIS H 3.615 . 5.248 4.123 1.938 5.900 0.652 2 1 "[ + . 1]" 1
1700 2 57 ILE MG 2 61 HIS H 3.615 . 5.248 4.102 1.934 5.851 0.603 2 1 "[ + . 1]" 1
1701 1 54 GLU QB 1 61 HIS H 3.642 . 5.300 4.054 2.974 5.310 0.010 3 0 "[ . 1]" 1
1702 2 54 GLU QB 2 61 HIS H 3.642 . 5.300 4.062 2.974 5.306 0.006 3 0 "[ . 1]" 1
1703 1 14 LYS HA 1 17 LEU H 3.264 . 4.596 3.358 2.808 3.771 . 0 0 "[ . 1]" 1
1704 2 14 LYS HA 2 17 LEU H 3.264 . 4.596 3.342 2.633 3.767 . 0 0 "[ . 1]" 1
1705 1 61 HIS H 1 61 HIS QB 2.492 . 3.268 2.717 2.547 2.911 . 0 0 "[ . 1]" 1
1706 2 61 HIS H 2 61 HIS QB 2.492 . 3.268 2.717 2.547 2.911 . 0 0 "[ . 1]" 1
1707 1 60 SER HB3 1 61 HIS H 2.485 . 6.000 4.253 3.732 4.385 . 0 0 "[ . 1]" 1
1708 2 60 SER HB3 2 61 HIS H 2.485 . 6.000 4.253 3.728 4.385 . 0 0 "[ . 1]" 1
1709 1 61 HIS H 1 61 HIS HA 2.409 . 3.134 2.356 2.190 2.926 . 0 0 "[ . 1]" 1
1710 2 61 HIS H 2 61 HIS HA 2.409 . 3.134 2.356 2.186 2.926 . 0 0 "[ . 1]" 1
1711 1 60 SER HG 1 61 HIS H 2.477 . 3.244 3.812 2.034 4.539 1.295 2 6 "[*+ ** -*]" 1
1712 2 60 SER HG 2 61 HIS H 2.477 . 3.244 3.815 2.030 4.552 1.308 2 6 "[*+ ** -*]" 1
1713 1 60 SER HA 1 61 HIS H 2.134 . 6.000 3.360 3.165 3.625 . 0 0 "[ . 1]" 1
1714 2 60 SER HA 2 61 HIS H 2.134 . 6.000 3.360 3.161 3.624 . 0 0 "[ . 1]" 1
1715 1 60 SER H 1 61 HIS H 2.657 . 3.539 2.196 1.637 2.471 0.138 8 0 "[ . 1]" 1
1716 2 60 SER H 2 61 HIS H 2.657 . 3.539 2.194 1.637 2.466 0.138 8 0 "[ . 1]" 1
1717 1 45 GLN H 1 49 TRP H 3.592 . 6.000 6.037 5.517 6.506 0.506 9 1 "[ . +1]" 1
1718 2 45 GLN H 2 49 TRP H 3.592 . 6.000 6.028 5.521 6.455 0.455 9 0 "[ . 1]" 1
1719 1 49 TRP H 1 52 ARG H 3.341 . 4.737 4.761 4.689 4.860 0.123 7 0 "[ . 1]" 1
1720 2 49 TRP H 2 52 ARG H 3.341 . 4.737 4.766 4.695 4.878 0.141 7 0 "[ . 1]" 1
1721 1 64 PHE H 1 64 PHE HB3 2.464 . 6.000 3.380 2.388 3.683 . 0 0 "[ . 1]" 1
1722 2 64 PHE H 2 64 PHE HB3 2.464 . 6.000 3.379 2.394 3.685 . 0 0 "[ . 1]" 1
1723 1 64 PHE H 1 64 PHE HB2 2.241 . 2.869 2.526 2.280 3.502 0.633 5 1 "[ + 1]" 1
1724 2 64 PHE H 2 64 PHE HB2 2.241 . 2.869 2.531 2.280 3.508 0.639 5 1 "[ + 1]" 1
1725 1 63 GLN QB 1 64 PHE H 2.477 . 6.000 3.364 2.197 4.014 . 0 0 "[ . 1]" 1
1726 2 63 GLN QB 2 64 PHE H 2.477 . 6.000 3.355 2.075 4.014 . 0 0 "[ . 1]" 1
1727 1 62 PRO HB2 1 64 PHE H 3.013 . 6.000 4.875 2.813 6.004 0.004 1 0 "[ . 1]" 1
1728 2 62 PRO HB2 2 64 PHE H 3.013 . 6.000 4.853 2.806 6.005 0.005 1 0 "[ . 1]" 1
1729 1 64 PHE H 1 64 PHE HA 2.240 . 2.867 2.864 2.650 2.936 0.069 1 0 "[ . 1]" 1
1730 2 64 PHE H 2 64 PHE HA 2.240 . 2.867 2.864 2.650 2.935 0.068 1 0 "[ . 1]" 1
1731 1 33 ARG HG2 1 34 TYR H 3.264 . 4.596 3.477 2.644 4.599 0.003 4 0 "[ . 1]" 1
1732 2 33 ARG HG2 2 34 TYR H 3.264 . 4.596 3.486 2.645 4.583 . 0 0 "[ . 1]" 1
1733 1 17 LEU HB2 1 18 ASP H 3.576 . 5.175 3.257 2.796 3.675 . 0 0 "[ . 1]" 1
1734 2 17 LEU HB2 2 18 ASP H 3.576 . 5.175 3.217 2.816 3.483 . 0 0 "[ . 1]" 1
1735 1 13 GLN H 1 13 GLN QG 3.020 . 4.160 2.506 1.989 3.285 . 0 0 "[ . 1]" 1
1736 2 13 GLN H 2 13 GLN QG 3.020 . 4.160 2.496 1.960 3.287 . 0 0 "[ . 1]" 1
1737 1 13 GLN H 1 13 GLN QB 2.622 . 3.482 2.364 2.251 2.469 . 0 0 "[ . 1]" 1
1738 2 13 GLN H 2 13 GLN QB 2.622 . 3.482 2.366 2.252 2.473 . 0 0 "[ . 1]" 1
1739 1 9 PHE HA 1 13 GLN H 3.460 . 4.957 4.527 4.080 5.021 0.064 6 0 "[ . 1]" 1
1740 2 9 PHE HA 2 13 GLN H 3.460 . 4.957 4.518 4.076 5.031 0.074 6 0 "[ . 1]" 1
1741 1 4 ARG HA 1 13 GLN H 3.320 . 6.000 5.941 4.993 7.039 1.039 4 3 "[ -+. * 1]" 1
1742 2 4 ARG HA 2 13 GLN H 3.320 . 6.000 5.954 4.934 6.996 0.996 4 3 "[ -+. * 1]" 1
1743 1 10 SER H 1 13 GLN H 3.329 . 4.714 3.275 2.614 3.810 . 0 0 "[ . 1]" 1
1744 2 10 SER H 2 13 GLN H 3.329 . 4.714 3.269 2.610 3.819 . 0 0 "[ . 1]" 1
1745 1 13 GLN H 1 14 LYS H 2.856 . 3.875 2.251 1.966 2.484 . 0 0 "[ . 1]" 1
1746 2 13 GLN H 2 14 LYS H 2.856 . 3.875 2.261 1.981 2.481 . 0 0 "[ . 1]" 1
1747 1 13 GLN H 1 17 LEU H 3.163 . 6.000 6.437 5.949 6.819 0.819 9 4 "[ * .- +*]" 1
1748 2 13 GLN H 2 17 LEU H 3.163 . 6.000 6.431 5.898 6.855 0.855 9 4 "[ * .- +*]" 1
1749 1 49 TRP H 1 50 PHE H 2.948 . 4.034 2.643 2.504 2.780 . 0 0 "[ . 1]" 1
1750 2 49 TRP H 2 50 PHE H 2.948 . 4.034 2.644 2.483 2.789 . 0 0 "[ . 1]" 1
1751 1 10 SER H 1 10 SER HB2 3.659 . 5.333 2.617 2.374 2.952 . 0 0 "[ . 1]" 1
1752 2 10 SER H 2 10 SER HB2 3.659 . 5.333 2.615 2.351 2.953 . 0 0 "[ . 1]" 1
1753 1 41 LEU HG 1 42 ASN H 2.823 . 6.000 4.394 4.252 4.850 . 0 0 "[ . 1]" 1
1754 2 41 LEU HG 2 42 ASN H 2.823 . 6.000 4.398 4.258 4.861 . 0 0 "[ . 1]" 1
1755 1 42 ASN H 1 42 ASN QB 2.874 . 3.906 2.282 2.218 2.387 . 0 0 "[ . 1]" 1
1756 2 42 ASN H 2 42 ASN QB 2.874 . 3.906 2.282 2.217 2.386 . 0 0 "[ . 1]" 1
1757 1 42 ASN H 1 45 GLN QB 3.084 . 4.646 3.140 2.263 3.600 . 0 0 "[ . 1]" 1
1758 2 42 ASN H 2 45 GLN QB 3.084 . 4.646 3.143 2.246 3.597 . 0 0 "[ . 1]" 1
1759 1 41 LEU HA 1 42 ASN H 2.380 . 3.088 2.599 2.549 2.665 . 0 0 "[ . 1]" 1
1760 2 41 LEU HA 2 42 ASN H 2.380 . 3.088 2.599 2.550 2.663 . 0 0 "[ . 1]" 1
1761 1 44 GLU H 1 45 GLN H 2.726 . 3.655 2.716 2.651 2.809 . 0 0 "[ . 1]" 1
1762 2 44 GLU H 2 45 GLN H 2.726 . 3.655 2.716 2.660 2.806 . 0 0 "[ . 1]" 1
1763 1 21 PHE H 1 21 PHE HB2 3.873 . 5.748 2.593 2.280 3.069 . 0 0 "[ . 1]" 1
1764 2 21 PHE H 2 21 PHE HB2 3.873 . 5.748 2.587 2.267 3.070 . 0 0 "[ . 1]" 1
1765 1 44 GLU H 1 44 GLU QG 2.828 . 3.828 3.148 1.969 3.890 0.062 8 0 "[ . 1]" 1
1766 2 44 GLU H 2 44 GLU QG 2.828 . 3.828 3.147 1.965 3.889 0.061 8 0 "[ . 1]" 1
1767 1 36 SER QB 1 44 GLU H 3.609 . 6.000 5.536 5.131 6.380 0.380 1 0 "[ . 1]" 1
1768 2 36 SER QB 2 44 GLU H 3.609 . 6.000 5.522 5.133 6.379 0.379 1 0 "[ . 1]" 1
1769 1 44 GLU H 1 44 GLU QB 2.241 . 2.869 2.257 2.171 2.446 . 0 0 "[ . 1]" 1
1770 2 44 GLU H 2 44 GLU QB 2.241 . 2.869 2.259 2.173 2.449 . 0 0 "[ . 1]" 1
1771 1 43 GLU HB3 1 44 GLU H 2.832 . 6.000 3.868 3.457 4.071 . 0 0 "[ . 1]" 1
1772 2 43 GLU HB3 2 44 GLU H 2.832 . 6.000 3.876 3.456 4.073 . 0 0 "[ . 1]" 1
1773 1 46 ILE HA 1 47 GLU H 3.048 . 4.209 3.580 3.563 3.597 . 0 0 "[ . 1]" 1
1774 2 46 ILE HA 2 47 GLU H 3.048 . 4.209 3.579 3.562 3.596 . 0 0 "[ . 1]" 1
1775 1 32 ARG HA 1 47 GLU H 3.776 . 6.000 6.434 5.878 6.877 0.877 10 4 "[*- *. +]" 1
1776 2 32 ARG HA 2 47 GLU H 3.776 . 6.000 6.463 5.862 6.878 0.878 10 5 "[*- ** +]" 1
1777 1 47 GLU H 1 48 ARG HD2 3.420 . 4.882 4.642 4.274 4.863 . 0 0 "[ . 1]" 1
1778 2 47 GLU H 2 48 ARG HD2 3.420 . 4.882 4.641 4.246 4.854 . 0 0 "[ . 1]" 1
1779 1 46 ILE QG 1 47 GLU H 3.476 . 4.502 3.813 3.708 3.908 . 0 0 "[ . 1]" 1
1780 2 46 ILE QG 2 47 GLU H 3.476 . 4.502 3.816 3.697 3.907 . 0 0 "[ . 1]" 1
1781 1 63 GLN H 1 64 PHE H 2.462 . 3.220 3.360 2.706 4.387 1.167 1 3 "[+- . *]" 1
1782 2 63 GLN H 2 64 PHE H 2.462 . 3.220 3.366 2.695 4.390 1.170 1 3 "[+- . *]" 1
1783 1 10 SER H 1 10 SER HB3 3.428 . 4.897 2.826 2.362 3.697 . 0 0 "[ . 1]" 1
1784 2 10 SER H 2 10 SER HB3 3.428 . 4.897 2.825 2.360 3.698 . 0 0 "[ . 1]" 1
1785 1 46 ILE H 1 46 ILE QG 3.319 . 4.897 2.220 2.125 2.253 . 0 0 "[ . 1]" 1
1786 2 46 ILE H 2 46 ILE QG 3.319 . 4.897 2.224 2.122 2.256 . 0 0 "[ . 1]" 1
1787 1 45 GLN HA 1 46 ILE H 3.696 . 5.404 3.432 3.373 3.457 . 0 0 "[ . 1]" 1
1788 2 45 GLN HA 2 46 ILE H 3.696 . 5.404 3.433 3.374 3.459 . 0 0 "[ . 1]" 1
1789 1 46 ILE H 1 47 GLU H 3.290 . 4.643 2.337 2.250 2.394 . 0 0 "[ . 1]" 1
1790 2 46 ILE H 2 47 GLU H 3.290 . 4.643 2.330 2.253 2.369 . 0 0 "[ . 1]" 1
1791 1 41 LEU H 1 42 ASN H 3.686 . 5.384 4.432 4.411 4.446 . 0 0 "[ . 1]" 1
1792 2 41 LEU H 2 42 ASN H 3.686 . 5.384 4.431 4.412 4.446 . 0 0 "[ . 1]" 1
1793 1 39 LEU H 1 41 LEU H 3.708 . 5.427 4.324 4.043 4.498 . 0 0 "[ . 1]" 1
1794 2 39 LEU H 2 41 LEU H 3.708 . 5.427 4.307 4.032 4.464 . 0 0 "[ . 1]" 1
1795 1 32 ARG H 1 32 ARG QB 2.902 . 3.955 2.269 2.037 2.381 . 0 0 "[ . 1]" 1
1796 2 32 ARG H 2 32 ARG QB 2.902 . 3.955 2.271 2.046 2.373 . 0 0 "[ . 1]" 1
1797 1 32 ARG H 1 32 ARG HD2 3.683 . 5.379 4.133 3.608 5.077 . 0 0 "[ . 1]" 1
1798 2 32 ARG H 2 32 ARG HD2 3.683 . 5.379 4.132 3.621 5.070 . 0 0 "[ . 1]" 1
1799 1 30 GLU QB 1 32 ARG H 3.837 . 5.677 4.699 4.505 4.839 . 0 0 "[ . 1]" 1
1800 2 30 GLU QB 2 32 ARG H 3.837 . 5.677 4.708 4.506 4.839 . 0 0 "[ . 1]" 1
1801 1 35 LEU H 1 35 LEU QB 3.340 . 4.342 2.282 1.986 2.627 . 0 0 "[ . 1]" 1
1802 2 35 LEU H 2 35 LEU QB 3.340 . 4.342 2.287 1.985 2.646 . 0 0 "[ . 1]" 1
1803 1 35 LEU H 1 39 LEU QD 3.570 . 5.163 5.303 4.913 5.646 0.483 10 0 "[ . 1]" 1
1804 2 35 LEU H 2 39 LEU QD 3.570 . 5.163 5.295 4.917 5.596 0.433 10 0 "[ . 1]" 1
1805 1 35 LEU H 1 35 LEU QD 3.425 . 4.891 2.873 1.551 3.647 0.448 3 0 "[ . 1]" 1
1806 2 35 LEU H 2 35 LEU QD 3.425 . 4.891 2.868 1.458 3.647 0.541 3 1 "[ + . 1]" 1
1807 1 34 TYR QB 1 35 LEU H 3.077 . 4.260 2.366 2.263 2.511 . 0 0 "[ . 1]" 1
1808 2 34 TYR QB 2 35 LEU H 3.077 . 4.260 2.381 2.237 2.614 . 0 0 "[ . 1]" 1
1809 1 34 TYR HD2 1 35 LEU H 3.350 . 4.753 3.488 2.952 5.501 0.748 2 1 "[ + . 1]" 1
1810 2 34 TYR HD2 2 35 LEU H 3.350 . 4.753 3.524 2.922 5.500 0.747 2 1 "[ + . 1]" 1
1811 1 34 TYR H 1 35 LEU H 3.409 . 4.861 2.749 2.439 3.171 . 0 0 "[ . 1]" 1
1812 2 34 TYR H 2 35 LEU H 3.409 . 4.861 2.739 2.414 3.122 . 0 0 "[ . 1]" 1
1813 1 31 TRP H 1 32 ARG H 3.146 . 4.383 2.337 2.002 2.891 . 0 0 "[ . 1]" 1
1814 2 31 TRP H 2 32 ARG H 3.146 . 4.383 2.337 2.010 2.903 . 0 0 "[ . 1]" 1
1815 1 32 ARG H 1 33 ARG H 3.194 . 4.469 2.483 2.154 2.938 . 0 0 "[ . 1]" 1
1816 2 32 ARG H 2 33 ARG H 3.194 . 4.469 2.447 2.156 2.779 . 0 0 "[ . 1]" 1
1817 1 44 GLU H 1 47 GLU H 3.502 . 5.035 4.997 4.841 5.181 0.146 4 0 "[ . 1]" 1
1818 2 44 GLU H 2 47 GLU H 3.502 . 5.035 4.975 4.839 5.144 0.109 10 0 "[ . 1]" 1
1819 1 61 HIS H 1 63 GLN H 3.049 . 6.000 4.987 4.453 6.225 0.225 3 0 "[ . 1]" 1
1820 2 61 HIS H 2 63 GLN H 3.049 . 6.000 4.975 4.468 6.228 0.228 3 0 "[ . 1]" 1
1821 1 42 ASN H 1 45 GLN H 3.498 . 5.027 3.645 3.269 4.254 . 0 0 "[ . 1]" 1
1822 2 42 ASN H 2 45 GLN H 3.498 . 5.027 3.638 3.210 4.259 . 0 0 "[ . 1]" 1
1823 1 9 PHE H 1 10 SER H 3.260 . 4.589 3.869 3.227 4.504 . 0 0 "[ . 1]" 1
1824 2 9 PHE H 2 10 SER H 3.260 . 4.589 3.872 3.253 4.505 . 0 0 "[ . 1]" 1
1825 1 17 LEU H 1 18 ASP H 2.782 . 3.749 2.558 2.065 2.745 . 0 0 "[ . 1]" 1
1826 2 17 LEU H 2 18 ASP H 2.782 . 3.749 2.533 2.048 2.717 . 0 0 "[ . 1]" 1
1827 1 16 ALA H 1 17 LEU H 2.841 . 3.850 2.704 2.192 3.060 . 0 0 "[ . 1]" 1
1828 2 16 ALA H 2 17 LEU H 2.841 . 3.850 2.713 2.196 3.061 . 0 0 "[ . 1]" 1
1829 1 45 GLN H 1 46 ILE MG 3.654 . 6.000 5.748 5.569 5.807 . 0 0 "[ . 1]" 1
1830 2 45 GLN H 2 46 ILE MG 3.654 . 6.000 5.747 5.571 5.801 . 0 0 "[ . 1]" 1
1831 1 45 GLN H 1 46 ILE MD 3.671 . 5.355 4.749 4.536 4.866 . 0 0 "[ . 1]" 1
1832 2 45 GLN H 2 46 ILE MD 3.671 . 5.355 4.753 4.536 4.866 . 0 0 "[ . 1]" 1
1833 1 45 GLN H 1 46 ILE HA 3.479 . 6.000 4.997 4.833 5.050 . 0 0 "[ . 1]" 1
1834 2 45 GLN H 2 46 ILE HA 3.479 . 6.000 4.996 4.831 5.050 . 0 0 "[ . 1]" 1
1835 1 45 GLN H 1 45 GLN HA 2.649 . 3.526 2.850 2.839 2.884 . 0 0 "[ . 1]" 1
1836 2 45 GLN H 2 45 GLN HA 2.649 . 3.526 2.851 2.839 2.883 . 0 0 "[ . 1]" 1
1837 1 54 GLU QB 1 55 GLN H 2.595 . 3.437 3.257 2.432 3.975 0.538 2 1 "[ + . 1]" 1
1838 2 54 GLU QB 2 55 GLN H 2.595 . 3.437 3.251 2.433 3.958 0.521 2 1 "[ + . 1]" 1
1839 1 53 LYS HA 1 55 GLN H 3.623 . 5.264 4.833 4.031 5.542 0.278 10 0 "[ . 1]" 1
1840 2 53 LYS HA 2 55 GLN H 3.623 . 5.264 4.853 4.055 5.544 0.280 10 0 "[ . 1]" 1
1841 1 47 GLU HG3 1 48 ARG H 2.981 . 4.092 4.403 4.295 4.560 0.468 10 0 "[ . 1]" 1
1842 2 47 GLU HG3 2 48 ARG H 2.981 . 4.092 4.409 4.275 4.557 0.465 4 0 "[ . 1]" 1
1843 1 48 ARG H 1 51 ARG QG 3.100 . 6.000 5.024 4.269 6.871 0.871 6 2 "[ .+ -]" 1
1844 2 48 ARG H 2 51 ARG QG 3.100 . 6.000 5.025 4.252 6.872 0.872 6 2 "[ .+ -]" 1
1845 1 48 ARG H 1 49 TRP QB 3.824 . 5.652 4.650 4.220 5.035 . 0 0 "[ . 1]" 1
1846 2 48 ARG H 2 49 TRP QB 3.824 . 5.652 4.641 4.217 5.012 . 0 0 "[ . 1]" 1
1847 1 9 PHE QB 1 14 LYS H 3.451 . 4.940 4.060 3.321 4.933 . 0 0 "[ . 1]" 1
1848 2 9 PHE QB 2 14 LYS H 3.451 . 4.940 4.049 3.344 4.839 . 0 0 "[ . 1]" 1
1849 1 13 GLN QB 1 14 LYS H 3.181 . 4.446 2.994 2.474 3.390 . 0 0 "[ . 1]" 1
1850 2 13 GLN QB 2 14 LYS H 3.181 . 4.446 2.990 2.479 3.419 . 0 0 "[ . 1]" 1
1851 1 45 GLN H 1 46 ILE QG 3.525 . 5.078 3.748 3.488 3.861 . 0 0 "[ . 1]" 1
1852 2 45 GLN H 2 46 ILE QG 3.525 . 5.078 3.752 3.490 3.857 . 0 0 "[ . 1]" 1
1853 1 53 LYS QB 1 54 GLU H 3.231 . 4.009 2.814 2.101 3.321 . 0 0 "[ . 1]" 1
1854 2 53 LYS QB 2 54 GLU H 3.231 . 4.009 2.815 2.150 3.295 . 0 0 "[ . 1]" 1
1855 1 53 LYS QG 1 54 GLU H 3.743 . 5.494 4.142 3.319 4.731 . 0 0 "[ . 1]" 1
1856 2 53 LYS QG 2 54 GLU H 3.743 . 5.494 4.135 3.314 4.719 . 0 0 "[ . 1]" 1
1857 1 7 THR MG 1 9 PHE H 3.172 . 6.000 5.542 5.015 6.616 0.616 2 1 "[ + . 1]" 1
1858 2 7 THR MG 2 9 PHE H 3.172 . 6.000 5.544 5.014 6.620 0.620 2 1 "[ + . 1]" 1
1859 1 9 PHE H 1 41 LEU QD 3.778 . 5.562 2.475 1.898 3.116 0.096 5 0 "[ . 1]" 1
1860 2 9 PHE H 2 41 LEU QD 3.778 . 5.562 2.478 1.902 3.117 0.092 5 0 "[ . 1]" 1
1861 1 9 PHE H 1 45 GLN QB 3.394 . 4.834 3.815 3.149 4.679 . 0 0 "[ . 1]" 1
1862 2 9 PHE H 2 45 GLN QB 3.394 . 4.834 3.830 3.149 4.690 . 0 0 "[ . 1]" 1
1863 1 9 PHE H 1 13 GLN QG 3.669 . 5.351 4.859 3.653 5.851 0.500 8 0 "[ . 1]" 1
1864 2 9 PHE H 2 13 GLN QG 3.669 . 5.351 4.851 3.664 5.852 0.501 8 1 "[ . + 1]" 1
1865 1 54 GLU H 1 63 GLN QB 3.719 . 6.000 6.333 5.660 7.017 1.017 4 4 "[ * +. * -]" 1
1866 2 54 GLU H 2 63 GLN QB 3.719 . 6.000 6.340 5.641 7.239 1.239 4 4 "[ * +. * -]" 1
1867 1 8 GLU HB2 1 9 PHE H 2.382 . 6.000 4.397 4.319 4.449 . 0 0 "[ . 1]" 1
1868 2 8 GLU HB2 2 9 PHE H 2.382 . 6.000 4.397 4.316 4.451 . 0 0 "[ . 1]" 1
1869 1 9 PHE H 1 9 PHE QB 2.675 . 3.353 2.757 2.434 2.937 . 0 0 "[ . 1]" 1
1870 2 9 PHE H 2 9 PHE QB 2.675 . 3.353 2.755 2.432 2.936 . 0 0 "[ . 1]" 1
1871 1 42 ASN HA 1 45 GLN H 3.626 . 5.270 4.607 4.462 4.712 . 0 0 "[ . 1]" 1
1872 2 42 ASN HA 2 45 GLN H 3.626 . 5.270 4.605 4.438 4.716 . 0 0 "[ . 1]" 1
1873 1 55 GLN H 1 56 GLN H 2.494 . 3.272 2.616 2.172 2.848 . 0 0 "[ . 1]" 1
1874 2 55 GLN H 2 56 GLN H 2.494 . 3.272 2.626 2.180 2.847 . 0 0 "[ . 1]" 1
1875 1 28 THR H 1 32 ARG H 3.579 . 5.180 3.782 3.251 4.345 . 0 0 "[ . 1]" 1
1876 2 28 THR H 2 32 ARG H 3.579 . 5.180 3.762 2.379 4.345 . 0 0 "[ . 1]" 1
1877 1 28 THR H 1 32 ARG HE 3.325 . 4.707 4.414 3.743 5.480 0.773 9 1 "[ . +1]" 1
1878 2 28 THR H 2 32 ARG HE 3.325 . 4.707 4.324 3.746 5.439 0.732 9 1 "[ . +1]" 1
1879 1 50 PHE H 1 51 ARG H 3.061 . 4.232 2.905 2.720 3.050 . 0 0 "[ . 1]" 1
1880 2 50 PHE H 2 51 ARG H 3.061 . 4.232 2.902 2.717 3.066 . 0 0 "[ . 1]" 1
1881 1 11 GLU H 1 12 GLU H 2.749 . 3.694 2.921 2.583 3.294 . 0 0 "[ . 1]" 1
1882 2 11 GLU H 2 12 GLU H 2.749 . 3.694 2.924 2.578 3.294 . 0 0 "[ . 1]" 1
1883 1 43 GLU H 1 44 GLU H 2.908 . 3.965 2.747 2.593 2.929 . 0 0 "[ . 1]" 1
1884 2 43 GLU H 2 44 GLU H 2.908 . 3.965 2.742 2.588 2.929 . 0 0 "[ . 1]" 1
1885 1 53 LYS QB 1 55 GLN H 3.834 . 5.672 4.813 4.093 5.166 . 0 0 "[ . 1]" 1
1886 2 53 LYS QB 2 55 GLN H 3.834 . 5.672 4.819 4.126 5.167 . 0 0 "[ . 1]" 1
1887 1 30 GLU HA 1 33 ARG H 3.314 . 4.687 3.786 3.378 4.924 0.237 10 0 "[ . 1]" 1
1888 2 30 GLU HA 2 33 ARG H 3.314 . 4.687 3.815 3.403 4.971 0.284 10 0 "[ . 1]" 1
1889 1 44 GLU HA 1 47 GLU H 2.848 . 3.862 3.417 3.080 3.555 . 0 0 "[ . 1]" 1
1890 2 44 GLU HA 2 47 GLU H 2.848 . 3.862 3.402 3.088 3.556 . 0 0 "[ . 1]" 1
1891 1 47 GLU H 1 47 GLU HA 2.780 . 3.746 2.793 2.775 2.827 . 0 0 "[ . 1]" 1
1892 2 47 GLU H 2 47 GLU HA 2.780 . 3.746 2.793 2.777 2.827 . 0 0 "[ . 1]" 1
1893 1 13 GLN HA 1 14 LYS H 3.531 . 5.090 3.478 3.348 3.588 . 0 0 "[ . 1]" 1
1894 2 13 GLN HA 2 14 LYS H 3.531 . 5.090 3.481 3.341 3.588 . 0 0 "[ . 1]" 1
1895 1 47 GLU HA 1 48 ARG H 3.383 . 4.814 3.591 3.554 3.615 . 0 0 "[ . 1]" 1
1896 2 47 GLU HA 2 48 ARG H 3.383 . 4.814 3.589 3.554 3.616 . 0 0 "[ . 1]" 1
1897 1 50 PHE HA 1 51 ARG H 2.924 . 3.993 3.642 3.609 3.666 . 0 0 "[ . 1]" 1
1898 2 50 PHE HA 2 51 ARG H 2.924 . 3.993 3.642 3.609 3.669 . 0 0 "[ . 1]" 1
1899 1 54 GLU QB 1 57 ILE H 3.104 . 6.000 5.197 4.754 5.890 . 0 0 "[ . 1]" 1
1900 2 54 GLU QB 2 57 ILE H 3.104 . 6.000 5.204 4.747 5.869 . 0 0 "[ . 1]" 1
1901 1 56 GLN H 1 56 GLN HB2 2.200 . 2.805 2.526 2.408 2.630 . 0 0 "[ . 1]" 1
1902 2 56 GLN H 2 56 GLN HB2 2.200 . 2.805 2.512 2.378 2.623 . 0 0 "[ . 1]" 1
1903 1 57 ILE H 1 57 ILE HB 2.381 . 6.000 3.467 2.533 3.739 . 0 0 "[ . 1]" 1
1904 2 57 ILE H 2 57 ILE HB 2.381 . 6.000 3.458 2.532 3.737 . 0 0 "[ . 1]" 1
1905 1 14 LYS HB2 1 15 LYS H 2.372 . 3.076 2.833 2.453 3.480 0.404 6 0 "[ . 1]" 1
1906 2 14 LYS HB2 2 15 LYS H 2.372 . 3.076 2.817 2.444 3.479 0.403 6 0 "[ . 1]" 1
1907 1 52 ARG QB 1 56 GLN H 3.706 . 5.423 4.977 4.202 6.035 0.612 6 1 "[ .+ 1]" 1
1908 2 52 ARG QB 2 56 GLN H 3.706 . 5.423 4.964 4.206 6.017 0.594 6 1 "[ .+ 1]" 1
1909 1 15 LYS H 1 15 LYS QG 2.618 . 3.475 2.783 2.002 3.901 0.426 5 0 "[ . 1]" 1
1910 2 15 LYS H 2 15 LYS QG 2.618 . 3.475 2.785 1.992 3.904 0.429 5 0 "[ . 1]" 1
1911 1 53 LYS HA 1 56 GLN H 3.264 . 4.596 4.364 3.538 4.782 0.186 2 0 "[ . 1]" 1
1912 2 53 LYS HA 2 56 GLN H 3.264 . 4.596 4.382 3.600 4.791 0.195 2 0 "[ . 1]" 1
1913 1 52 ARG H 1 52 ARG HA 2.541 . 3.348 2.805 2.765 2.855 . 0 0 "[ . 1]" 1
1914 2 52 ARG H 2 52 ARG HA 2.541 . 3.348 2.806 2.765 2.857 . 0 0 "[ . 1]" 1
1915 1 59 TRP QB 1 60 SER H 2.765 . 6.000 3.743 3.473 4.046 . 0 0 "[ . 1]" 1
1916 2 59 TRP QB 2 60 SER H 2.765 . 6.000 3.744 3.475 4.045 . 0 0 "[ . 1]" 1
1917 1 47 GLU H 1 47 GLU HG3 2.574 . 3.402 2.087 2.010 2.195 . 0 0 "[ . 1]" 1
1918 2 47 GLU H 2 47 GLU HG3 2.574 . 3.402 2.090 2.006 2.198 . 0 0 "[ . 1]" 1
1919 1 11 GLU HB2 1 14 LYS H 3.208 . 6.000 5.385 4.764 5.718 . 0 0 "[ . 1]" 1
1920 2 11 GLU HB2 2 14 LYS H 3.208 . 6.000 5.391 4.763 5.719 . 0 0 "[ . 1]" 1
1921 1 46 ILE HB 1 47 GLU H 2.621 . 3.479 2.362 2.268 2.482 . 0 0 "[ . 1]" 1
1922 2 46 ILE HB 2 47 GLU H 2.621 . 3.479 2.371 2.259 2.485 . 0 0 "[ . 1]" 1
1923 1 14 LYS H 1 14 LYS HB2 2.614 . 3.468 2.325 2.241 2.406 . 0 0 "[ . 1]" 1
1924 2 14 LYS H 2 14 LYS HB2 2.614 . 3.468 2.327 2.253 2.409 . 0 0 "[ . 1]" 1
1925 1 33 ARG H 1 33 ARG HG2 3.120 . 4.337 3.301 1.947 4.404 0.067 4 0 "[ . 1]" 1
1926 2 33 ARG H 2 33 ARG HG2 3.120 . 4.337 3.306 1.951 4.403 0.066 4 0 "[ . 1]" 1
1927 1 14 LYS H 1 14 LYS QD 2.819 . 3.813 3.647 3.368 3.939 0.126 3 0 "[ . 1]" 1
1928 2 14 LYS H 2 14 LYS QD 2.819 . 3.813 3.648 3.369 3.931 0.118 3 0 "[ . 1]" 1
1929 1 14 LYS H 1 14 LYS HG2 3.011 . 4.144 3.503 2.150 3.810 . 0 0 "[ . 1]" 1
1930 2 14 LYS H 2 14 LYS HG2 3.011 . 4.144 3.500 2.158 3.824 . 0 0 "[ . 1]" 1
1931 1 17 LEU H 1 17 LEU HG 2.853 . 3.871 3.875 3.534 4.327 0.456 9 0 "[ . 1]" 1
1932 2 17 LEU H 2 17 LEU HG 2.853 . 3.871 3.883 3.556 4.299 0.428 9 0 "[ . 1]" 1
1933 1 17 LEU H 1 17 LEU HB2 2.764 . 3.719 2.214 2.111 2.352 . 0 0 "[ . 1]" 1
1934 2 17 LEU H 2 17 LEU HB2 2.764 . 3.719 2.221 2.123 2.399 . 0 0 "[ . 1]" 1
1935 1 51 ARG H 1 51 ARG HB2 2.632 . 3.498 3.386 2.436 3.628 0.130 8 0 "[ . 1]" 1
1936 2 51 ARG H 2 51 ARG HB2 2.632 . 3.498 3.387 2.435 3.628 0.130 8 0 "[ . 1]" 1
1937 1 51 ARG H 1 51 ARG HG3 2.948 . 4.034 2.567 1.867 4.544 0.510 6 1 "[ .+ 1]" 1
1938 2 51 ARG H 2 51 ARG HG3 2.948 . 4.034 2.571 1.867 4.542 0.508 6 1 "[ .+ 1]" 1
1939 1 53 LYS H 1 54 GLU H 2.586 . 3.422 2.718 2.404 3.031 . 0 0 "[ . 1]" 1
1940 2 53 LYS H 2 54 GLU H 2.586 . 3.422 2.713 2.363 3.028 . 0 0 "[ . 1]" 1
1941 1 54 GLU H 1 55 GLN H 2.659 . 3.543 2.331 2.034 2.711 . 0 0 "[ . 1]" 1
1942 2 54 GLU H 2 55 GLN H 2.659 . 3.543 2.331 2.018 2.731 . 0 0 "[ . 1]" 1
1943 1 12 GLU H 1 12 GLU HA 2.430 . 3.168 2.807 2.771 2.894 . 0 0 "[ . 1]" 1
1944 2 12 GLU H 2 12 GLU HA 2.430 . 3.168 2.795 2.675 2.894 . 0 0 "[ . 1]" 1
1945 1 10 SER HA 1 12 GLU H 3.205 . 6.000 4.588 4.089 5.051 . 0 0 "[ . 1]" 1
1946 2 10 SER HA 2 12 GLU H 3.205 . 6.000 4.611 4.090 5.051 . 0 0 "[ . 1]" 1
1947 1 21 PHE QE 1 54 GLU H 3.534 . 5.095 4.707 3.891 6.828 1.733 4 1 "[ +. 1]" 1
1948 2 21 PHE QE 2 54 GLU H 3.534 . 5.095 4.554 3.915 5.375 0.280 4 0 "[ . 1]" 1
1949 1 59 TRP HD1 1 60 SER H 3.395 . 6.000 5.771 5.368 5.978 . 0 0 "[ . 1]" 1
1950 2 59 TRP HD1 2 60 SER H 3.395 . 6.000 5.767 5.364 5.974 . 0 0 "[ . 1]" 1
1951 1 51 ARG H 1 52 ARG H 2.649 . 3.526 2.594 2.417 2.755 . 0 0 "[ . 1]" 1
1952 2 51 ARG H 2 52 ARG H 2.649 . 3.526 2.592 2.417 2.752 . 0 0 "[ . 1]" 1
1953 1 12 GLU H 1 13 GLN H 2.753 . 3.700 2.660 2.394 2.857 . 0 0 "[ . 1]" 1
1954 2 12 GLU H 2 13 GLN H 2.753 . 3.700 2.699 2.390 2.972 . 0 0 "[ . 1]" 1
1955 1 7 THR H 1 7 THR HG1 3.037 . 6.000 3.816 2.886 4.010 . 0 0 "[ . 1]" 1
1956 2 7 THR H 2 7 THR HG1 3.037 . 6.000 3.836 2.879 4.103 . 0 0 "[ . 1]" 1
1957 1 7 THR H 1 7 THR HB 2.490 . 6.000 3.904 3.839 3.992 . 0 0 "[ . 1]" 1
1958 2 7 THR H 2 7 THR HB 2.490 . 6.000 3.904 3.836 3.993 . 0 0 "[ . 1]" 1
1959 1 4 ARG HA 1 7 THR H 2.570 . 6.000 5.269 4.629 6.485 0.485 5 0 "[ . 1]" 1
1960 2 4 ARG HA 2 7 THR H 2.570 . 6.000 5.267 4.616 6.487 0.487 5 0 "[ . 1]" 1
1961 1 5 PRO HB3 1 7 THR H 3.614 . 6.000 6.212 5.613 6.609 0.609 5 1 "[ + 1]" 1
1962 2 5 PRO HB3 2 7 THR H 3.614 . 6.000 6.211 5.640 6.608 0.608 5 1 "[ + 1]" 1
1963 1 6 ARG QB 1 7 THR H 2.508 . 6.000 3.579 1.935 3.966 . 0 0 "[ . 1]" 1
1964 2 6 ARG QB 2 7 THR H 2.508 . 6.000 3.576 1.930 3.960 . 0 0 "[ . 1]" 1
1965 1 58 GLY HA2 1 60 SER H 3.294 . 4.651 4.706 4.448 5.096 0.445 5 0 "[ . 1]" 1
1966 2 58 GLY HA2 2 60 SER H 3.294 . 4.651 4.704 4.443 5.093 0.442 5 0 "[ . 1]" 1
1967 1 33 ARG H 1 33 ARG QD 3.434 . 4.908 4.127 3.557 4.624 . 0 0 "[ . 1]" 1
1968 2 33 ARG H 2 33 ARG QD 3.434 . 4.908 4.120 3.542 4.611 . 0 0 "[ . 1]" 1
1969 1 14 LYS H 1 15 LYS H 3.062 . 4.234 2.673 2.387 2.962 . 0 0 "[ . 1]" 1
1970 2 14 LYS H 2 15 LYS H 3.062 . 4.234 2.672 2.410 2.976 . 0 0 "[ . 1]" 1
1971 1 33 ARG H 1 34 TYR H 3.065 . 4.239 2.598 2.499 2.709 . 0 0 "[ . 1]" 1
1972 2 33 ARG H 2 34 TYR H 3.065 . 4.239 2.589 2.503 2.691 . 0 0 "[ . 1]" 1
1973 1 52 ARG HE 1 54 GLU H 3.324 . 6.000 6.005 5.424 6.501 0.501 7 1 "[ . + 1]" 1
1974 2 52 ARG HE 2 54 GLU H 3.324 . 6.000 6.025 5.421 6.530 0.530 2 1 "[ + . 1]" 1
1975 1 12 GLU HA 1 14 LYS H 3.051 . 6.000 4.196 3.559 4.733 . 0 0 "[ . 1]" 1
1976 2 12 GLU HA 2 14 LYS H 3.051 . 6.000 4.218 3.547 4.735 . 0 0 "[ . 1]" 1
1977 1 35 LEU H 1 36 SER H 2.895 . 3.942 2.661 2.318 2.787 . 0 0 "[ . 1]" 1
1978 2 35 LEU H 2 36 SER H 2.895 . 3.942 2.648 2.292 2.755 . 0 0 "[ . 1]" 1
1979 1 33 ARG H 1 36 SER H 3.463 . 4.962 4.799 4.717 4.888 . 0 0 "[ . 1]" 1
1980 2 33 ARG H 2 36 SER H 3.463 . 4.962 4.812 4.744 4.886 . 0 0 "[ . 1]" 1
1981 1 35 LEU QD 1 36 SER H 3.611 . 5.241 3.761 2.287 4.080 . 0 0 "[ . 1]" 1
1982 2 35 LEU QD 2 36 SER H 3.611 . 5.241 3.757 2.317 4.034 . 0 0 "[ . 1]" 1
1983 1 36 SER H 1 36 SER HA 2.769 . 3.727 2.743 2.647 2.810 . 0 0 "[ . 1]" 1
1984 2 36 SER H 2 36 SER HA 2.769 . 3.727 2.741 2.652 2.810 . 0 0 "[ . 1]" 1
1985 1 35 LEU HA 1 36 SER H 3.355 . 4.762 3.606 3.526 3.640 . 0 0 "[ . 1]" 1
1986 2 35 LEU HA 2 36 SER H 3.355 . 4.762 3.606 3.528 3.641 . 0 0 "[ . 1]" 1
1987 1 57 ILE HA 1 58 GLY H 2.547 . 3.358 3.484 3.304 3.662 0.304 6 0 "[ . 1]" 1
1988 2 57 ILE HA 2 58 GLY H 2.547 . 3.358 3.482 3.298 3.660 0.302 6 0 "[ . 1]" 1
1989 1 58 GLY H 1 58 GLY HA3 2.238 . 2.864 2.932 2.919 2.946 0.082 5 0 "[ . 1]" 1
1990 2 58 GLY H 2 58 GLY HA3 2.238 . 2.864 2.932 2.920 2.946 0.082 5 0 "[ . 1]" 1
1991 1 57 ILE HB 1 58 GLY H 2.883 . 6.000 4.256 2.928 4.547 . 0 0 "[ . 1]" 1
1992 2 57 ILE HB 2 58 GLY H 2.883 . 6.000 4.254 2.926 4.547 . 0 0 "[ . 1]" 1
1993 1 57 ILE QG 1 58 GLY H 3.308 . 4.676 3.103 2.576 4.128 . 0 0 "[ . 1]" 1
1994 2 57 ILE QG 2 58 GLY H 3.308 . 4.676 3.113 2.575 4.128 . 0 0 "[ . 1]" 1
1995 1 57 ILE H 1 58 GLY H 2.533 . 3.335 2.253 2.051 2.435 . 0 0 "[ . 1]" 1
1996 2 57 ILE H 2 58 GLY H 2.533 . 3.335 2.257 2.050 2.460 . 0 0 "[ . 1]" 1
1997 1 39 LEU HG 1 40 GLY H 3.222 . 4.520 3.751 3.427 4.113 . 0 0 "[ . 1]" 1
1998 2 39 LEU HG 2 40 GLY H 3.222 . 4.520 3.762 3.439 4.106 . 0 0 "[ . 1]" 1
1999 1 39 LEU QB 1 40 GLY H 3.095 . 4.292 2.451 2.273 2.563 . 0 0 "[ . 1]" 1
2000 2 39 LEU QB 2 40 GLY H 3.095 . 4.292 2.460 2.274 2.559 . 0 0 "[ . 1]" 1
2001 1 39 LEU QD 1 40 GLY H 3.310 . 4.680 3.869 3.681 4.034 . 0 0 "[ . 1]" 1
2002 2 39 LEU QD 2 40 GLY H 3.310 . 4.680 3.876 3.685 4.030 . 0 0 "[ . 1]" 1
2003 1 40 GLY H 1 41 LEU QD 3.598 . 5.216 3.121 2.854 4.543 . 0 0 "[ . 1]" 1
2004 2 40 GLY H 2 41 LEU QD 3.598 . 5.216 3.118 2.839 4.532 . 0 0 "[ . 1]" 1
2005 1 40 GLY H 1 41 LEU HA 3.565 . 5.154 4.578 4.501 4.767 . 0 0 "[ . 1]" 1
2006 2 40 GLY H 2 41 LEU HA 3.565 . 5.154 4.576 4.500 4.768 . 0 0 "[ . 1]" 1
2007 1 39 LEU HA 1 40 GLY H 3.349 . 4.751 3.624 3.613 3.636 . 0 0 "[ . 1]" 1
2008 2 39 LEU HA 2 40 GLY H 3.349 . 4.751 3.624 3.613 3.635 . 0 0 "[ . 1]" 1
2009 1 8 GLU H 1 8 GLU QG 2.844 . 3.855 2.400 1.997 3.010 . 0 0 "[ . 1]" 1
2010 2 8 GLU H 2 8 GLU HG2 2.844 . 3.855 2.574 2.023 4.134 0.279 2 0 "[ . 1]" 1
2011 1 65 GLU H 1 66 LYS H 2.688 . 3.591 2.471 1.986 3.790 0.199 7 0 "[ . 1]" 1
2012 2 65 GLU H 2 66 LYS H 2.688 . 3.591 2.442 1.986 3.610 0.019 7 0 "[ . 1]" 1
2013 1 64 PHE H 1 66 LYS H 2.732 . 3.665 3.620 2.586 4.316 0.651 5 1 "[ + 1]" 1
2014 2 64 PHE H 2 66 LYS H 2.732 . 3.665 3.598 2.584 4.312 0.647 5 1 "[ + 1]" 1
2015 1 63 GLN H 1 66 LYS H 3.111 . 6.000 5.311 4.381 6.023 0.023 7 0 "[ . 1]" 1
2016 2 63 GLN H 2 66 LYS H 3.111 . 6.000 5.306 4.383 5.938 . 0 0 "[ . 1]" 1
2017 1 42 ASN HD21 1 43 GLU H 3.839 . 5.681 4.049 2.838 5.278 . 0 0 "[ . 1]" 1
2018 2 42 ASN HD21 2 43 GLU H 3.839 . 5.681 4.051 2.838 5.300 . 0 0 "[ . 1]" 1
2019 1 33 ARG HA 1 34 TYR H 3.219 . 4.514 3.524 3.465 3.582 . 0 0 "[ . 1]" 1
2020 2 33 ARG HA 2 34 TYR H 3.219 . 4.514 3.521 3.460 3.582 . 0 0 "[ . 1]" 1
2021 1 16 ALA HA 1 17 LEU H 3.301 . 4.663 3.594 3.398 3.654 . 0 0 "[ . 1]" 1
2022 2 16 ALA HA 2 17 LEU H 3.301 . 4.663 3.601 3.462 3.655 . 0 0 "[ . 1]" 1
2023 1 61 HIS HA 1 64 PHE H 3.716 . 5.442 6.053 4.723 7.037 1.595 1 7 "[+** . *-**]" 1
2024 2 61 HIS HA 2 64 PHE H 3.716 . 5.442 6.034 4.693 7.041 1.599 1 7 "[+** . *-**]" 1
2025 1 6 ARG H 1 6 ARG QD 3.342 . 4.738 3.174 1.396 4.291 0.550 9 1 "[ . +1]" 1
2026 2 6 ARG H 2 6 ARG QD 3.342 . 4.738 3.167 1.381 4.290 0.565 9 1 "[ . +1]" 1
2027 1 44 GLU H 1 45 GLN QG 3.259 . 4.587 4.061 3.959 4.186 . 0 0 "[ . 1]" 1
2028 2 44 GLU H 2 45 GLN QG 3.259 . 4.587 4.065 3.967 4.198 . 0 0 "[ . 1]" 1
2029 1 20 ALA H 1 21 PHE H 3.935 . 5.871 2.661 2.428 2.984 . 0 0 "[ . 1]" 1
2030 2 20 ALA H 2 21 PHE H 3.935 . 5.871 2.655 2.473 2.985 . 0 0 "[ . 1]" 1
2031 1 10 SER H 1 14 LYS H 4.003 . 6.006 4.465 3.708 5.312 . 0 0 "[ . 1]" 1
2032 2 10 SER H 2 14 LYS H 4.003 . 6.006 4.456 3.707 5.378 . 0 0 "[ . 1]" 1
2033 1 10 SER H 1 13 GLN QG 3.948 . 5.896 2.943 2.081 3.467 . 0 0 "[ . 1]" 1
2034 2 10 SER H 2 13 GLN QG 3.948 . 5.896 2.945 2.092 3.487 . 0 0 "[ . 1]" 1
2035 1 4 ARG QB 1 10 SER H 4.155 . 6.313 3.318 1.901 5.197 0.096 7 0 "[ . 1]" 1
2036 2 4 ARG QB 2 10 SER H 4.155 . 6.313 3.330 1.918 5.208 0.079 7 0 "[ . 1]" 1
2037 1 56 GLN H 1 56 GLN HA 2.415 . 3.144 2.818 2.755 2.863 . 0 0 "[ . 1]" 1
2038 2 56 GLN H 2 56 GLN HA 2.415 . 3.144 2.814 2.744 2.862 . 0 0 "[ . 1]" 1
2039 1 27 LEU QD 1 48 ARG H 3.906 . 5.813 5.278 4.814 6.044 0.231 9 0 "[ . 1]" 1
2040 2 27 LEU QD 2 48 ARG H 3.906 . 5.813 5.263 4.808 6.063 0.250 9 0 "[ . 1]" 1
2041 1 14 LYS HA 1 16 ALA H 4.033 . 6.066 4.171 3.321 4.583 . 0 0 "[ . 1]" 1
2042 2 14 LYS HA 2 16 ALA H 4.033 . 6.066 4.180 3.325 4.583 . 0 0 "[ . 1]" 1
2043 1 9 PHE H 1 41 LEU HA 3.514 . 5.057 5.126 4.241 5.714 0.657 2 2 "[-+ . 1]" 1
2044 2 9 PHE H 2 41 LEU HA 3.514 . 5.057 5.139 4.306 5.696 0.639 2 2 "[-+ . 1]" 1
2045 1 31 TRP HA 1 33 ARG H 3.785 . 5.576 4.211 3.706 4.760 . 0 0 "[ . 1]" 1
2046 2 31 TRP HA 2 33 ARG H 3.785 . 5.576 4.197 3.706 4.528 . 0 0 "[ . 1]" 1
2047 1 48 ARG H 1 52 ARG H 3.759 . 6.000 5.835 5.521 5.976 . 0 0 "[ . 1]" 1
2048 2 48 ARG H 2 52 ARG H 3.759 . 6.000 5.835 5.551 5.989 . 0 0 "[ . 1]" 1
2049 1 9 PHE HD2 1 10 SER H 3.994 . 5.988 5.999 5.803 6.142 0.154 1 0 "[ . 1]" 1
2050 2 9 PHE HD2 2 10 SER H 3.994 . 5.988 5.999 5.805 6.138 0.150 1 0 "[ . 1]" 1
2051 1 32 ARG H 1 33 ARG HA 3.765 . 5.536 5.046 4.815 5.390 . 0 0 "[ . 1]" 1
2052 2 32 ARG H 2 33 ARG HA 3.765 . 5.536 5.017 4.792 5.303 . 0 0 "[ . 1]" 1
2053 1 14 LYS HA 1 15 LYS H 3.562 . 5.148 3.563 3.453 3.617 . 0 0 "[ . 1]" 1
2054 2 14 LYS HA 2 15 LYS H 3.562 . 5.148 3.564 3.448 3.615 . 0 0 "[ . 1]" 1
2055 1 60 SER H 1 60 SER HB2 2.363 . 6.000 3.468 2.447 3.766 . 0 0 "[ . 1]" 1
2056 2 60 SER H 2 60 SER HB2 2.363 . 6.000 3.471 2.451 3.766 . 0 0 "[ . 1]" 1
2057 1 57 ILE HA 1 60 SER H 3.461 . 6.000 5.867 5.475 6.215 0.215 2 0 "[ . 1]" 1
2058 2 57 ILE HA 2 60 SER H 3.461 . 6.000 5.864 5.446 6.195 0.195 2 0 "[ . 1]" 1
2059 1 57 ILE MG 1 60 SER H 3.580 . 5.182 4.293 2.182 5.785 0.603 2 1 "[ + . 1]" 1
2060 2 57 ILE MG 2 60 SER H 3.580 . 5.182 4.270 2.177 5.753 0.571 2 1 "[ + . 1]" 1
2061 1 57 ILE HB 1 60 SER H 3.813 . 5.631 4.982 2.841 5.552 . 0 0 "[ . 1]" 1
2062 2 57 ILE HB 2 60 SER H 3.813 . 5.631 4.988 2.840 5.560 . 0 0 "[ . 1]" 1
2063 1 36 SER H 1 46 ILE QG 3.669 . 5.352 3.640 3.169 4.007 . 0 0 "[ . 1]" 1
2064 2 36 SER H 2 46 ILE QG 3.669 . 5.352 3.633 3.171 4.075 . 0 0 "[ . 1]" 1
2065 1 36 SER H 1 43 GLU HA 3.668 . 5.350 4.748 4.314 5.213 . 0 0 "[ . 1]" 1
2066 2 36 SER H 2 43 GLU HA 3.668 . 5.350 4.736 4.258 5.221 . 0 0 "[ . 1]" 1
2067 1 34 TYR QB 1 36 SER H 3.852 . 5.707 4.687 4.415 4.827 . 0 0 "[ . 1]" 1
2068 2 34 TYR QB 2 36 SER H 3.852 . 5.707 4.696 4.392 4.901 . 0 0 "[ . 1]" 1
2069 1 58 GLY H 1 60 SER HG 3.670 . 5.354 5.746 4.314 7.112 1.758 1 4 "[+* -. *]" 1
2070 2 58 GLY H 2 60 SER HG 3.670 . 5.354 5.743 4.315 7.111 1.757 1 4 "[+* -. *]" 1
2071 1 1 MET HA 1 2 GLU H 3.942 . 5.884 2.566 2.221 3.363 . 0 0 "[ . 1]" 1
2072 2 1 MET HA 2 2 GLU H 3.942 . 5.884 2.568 2.220 3.360 . 0 0 "[ . 1]" 1
2073 1 2 GLU HB2 1 3 LYS H 4.160 . 6.323 3.827 2.849 4.456 . 0 0 "[ . 1]" 1
2074 2 2 GLU HB2 2 3 LYS H 4.160 . 6.323 3.826 2.814 4.462 . 0 0 "[ . 1]" 1
2075 1 4 ARG H 1 4 ARG QD 3.844 . 5.691 4.194 3.532 4.817 . 0 0 "[ . 1]" 1
2076 2 4 ARG H 2 4 ARG QD 3.844 . 5.691 4.194 3.549 4.813 . 0 0 "[ . 1]" 1
2077 1 5 PRO HB2 1 6 ARG H 2.582 . 3.416 2.813 1.920 4.129 0.713 7 2 "[ -. + 1]" 1
2078 2 5 PRO HB2 2 6 ARG H 2.582 . 3.416 2.813 1.920 4.130 0.714 7 2 "[ -. + 1]" 1
2079 1 7 THR H 1 8 GLU H 2.524 . 3.321 3.102 2.749 3.372 0.051 9 0 "[ . 1]" 1
2080 2 7 THR H 2 8 GLU H 2.524 . 3.321 3.105 2.756 3.378 0.057 9 0 "[ . 1]" 1
2081 1 6 ARG HA 1 7 THR H 1.853 . 6.000 2.748 2.149 3.623 . 0 0 "[ . 1]" 1
2082 2 6 ARG HA 2 7 THR H 1.853 . 6.000 2.747 2.151 3.621 . 0 0 "[ . 1]" 1
2083 1 4 ARG QD 1 7 THR H 3.788 . 5.581 3.450 1.845 4.572 0.150 1 0 "[ . 1]" 1
2084 2 4 ARG QD 2 7 THR H 3.788 . 5.581 3.449 1.839 4.579 0.156 1 0 "[ . 1]" 1
2085 1 38 ARG HG2 1 39 LEU H 3.576 . 5.174 4.962 3.367 5.316 0.142 2 0 "[ . 1]" 1
2086 2 38 ARG HG2 2 39 LEU H 3.576 . 5.174 4.957 3.372 5.316 0.142 2 0 "[ . 1]" 1
2087 1 39 LEU H 1 39 LEU HG 3.536 . 5.099 4.393 4.302 4.468 . 0 0 "[ . 1]" 1
2088 2 39 LEU H 2 39 LEU HG 3.536 . 5.099 4.394 4.305 4.467 . 0 0 "[ . 1]" 1
2089 1 7 THR H 1 7 THR HA 1.940 . 2.410 2.305 2.208 2.903 0.493 5 0 "[ . 1]" 1
2090 2 7 THR H 2 7 THR HA 1.940 . 2.410 2.304 2.208 2.903 0.493 5 0 "[ . 1]" 1
2091 1 10 SER HB3 1 11 GLU H 2.634 . 3.501 2.909 2.159 3.425 . 0 0 "[ . 1]" 1
2092 2 10 SER HB3 2 11 GLU H 2.634 . 3.501 2.914 2.163 3.428 . 0 0 "[ . 1]" 1
2093 1 12 GLU HA 1 13 GLN H 2.804 . 3.787 3.501 3.359 3.619 . 0 0 "[ . 1]" 1
2094 2 12 GLU HA 2 13 GLN H 2.804 . 3.787 3.512 3.356 3.618 . 0 0 "[ . 1]" 1
2095 1 15 LYS H 1 15 LYS HA 2.582 . 3.415 2.796 2.646 2.889 . 0 0 "[ . 1]" 1
2096 2 15 LYS H 2 15 LYS HA 2.582 . 3.415 2.792 2.649 2.889 . 0 0 "[ . 1]" 1
2097 1 15 LYS HA 1 16 ALA H 3.005 . 4.134 3.564 3.343 3.633 . 0 0 "[ . 1]" 1
2098 2 15 LYS HA 2 16 ALA H 3.005 . 4.134 3.566 3.344 3.641 . 0 0 "[ . 1]" 1
2099 1 16 ALA H 1 17 LEU QD 4.153 . 6.171 3.606 3.235 4.153 . 0 0 "[ . 1]" 1
2100 2 16 ALA H 2 17 LEU QD 4.153 . 6.171 3.609 3.178 4.155 . 0 0 "[ . 1]" 1
2101 1 16 ALA H 1 17 LEU HA 4.243 . 6.494 5.202 4.780 5.452 . 0 0 "[ . 1]" 1
2102 2 16 ALA H 2 17 LEU HA 4.243 . 6.494 5.206 4.781 5.453 . 0 0 "[ . 1]" 1
2103 1 18 ASP HA 1 19 LEU H 3.987 . 5.974 3.548 3.445 3.607 . 0 0 "[ . 1]" 1
2104 2 18 ASP HA 2 19 LEU H 3.987 . 5.974 3.537 3.446 3.607 . 0 0 "[ . 1]" 1
2105 1 23 PHE HA 1 25 ARG H 3.557 . 5.139 4.299 3.761 4.820 . 0 0 "[ . 1]" 1
2106 2 23 PHE HA 2 25 ARG H 3.557 . 5.139 4.301 3.758 4.821 . 0 0 "[ . 1]" 1
2107 1 25 ARG HA 1 26 ARG H 2.877 . 3.911 3.074 2.488 3.625 . 0 0 "[ . 1]" 1
2108 2 25 ARG HA 2 26 ARG H 2.877 . 3.911 3.081 2.487 3.626 . 0 0 "[ . 1]" 1
2109 1 30 GLU H 1 31 TRP H 4.141 . 6.284 2.561 2.119 2.778 . 0 0 "[ . 1]" 1
2110 2 30 GLU H 2 31 TRP H 4.141 . 6.284 2.552 2.120 2.794 . 0 0 "[ . 1]" 1
2111 1 31 TRP H 1 32 ARG HE 4.430 . 6.883 5.845 5.336 6.525 . 0 0 "[ . 1]" 1
2112 2 31 TRP H 2 32 ARG HE 4.430 . 6.883 5.802 5.340 6.490 . 0 0 "[ . 1]" 1
2113 1 28 THR H 1 31 TRP H 4.512 . 7.057 3.207 2.601 3.615 . 0 0 "[ . 1]" 1
2114 2 28 THR H 2 31 TRP H 4.512 . 7.057 3.211 2.594 3.611 . 0 0 "[ . 1]" 1
2115 1 31 TRP H 1 34 TYR HD2 4.588 . 7.220 6.593 5.963 7.165 . 0 0 "[ . 1]" 1
2116 2 31 TRP H 2 34 TYR HD2 4.588 . 7.220 6.602 5.901 7.191 . 0 0 "[ . 1]" 1
2117 1 30 GLU HA 1 31 TRP H 4.278 . 6.565 3.510 3.323 3.634 . 0 0 "[ . 1]" 1
2118 2 30 GLU HA 2 31 TRP H 4.278 . 6.565 3.512 3.324 3.634 . 0 0 "[ . 1]" 1
2119 1 30 GLU QB 1 31 TRP H 4.255 . 6.258 2.929 2.251 3.345 . 0 0 "[ . 1]" 1
2120 2 30 GLU QB 2 31 TRP H 4.255 . 6.258 2.947 2.312 3.345 . 0 0 "[ . 1]" 1
2121 1 29 PRO HA 1 30 GLU H 3.816 . 5.637 3.575 3.501 3.644 . 0 0 "[ . 1]" 1
2122 2 29 PRO HA 2 30 GLU H 3.816 . 5.637 3.576 3.500 3.643 . 0 0 "[ . 1]" 1
2123 1 32 ARG H 1 34 TYR HD2 4.368 . 6.753 6.604 6.078 7.408 0.655 2 1 "[ + . 1]" 1
2124 2 32 ARG H 2 34 TYR HD2 4.368 . 6.753 6.615 5.975 7.406 0.653 2 1 "[ + . 1]" 1
2125 1 33 ARG H 1 33 ARG QB 2.722 . 3.648 2.332 2.150 2.656 . 0 0 "[ . 1]" 1
2126 2 33 ARG H 2 33 ARG QB 2.722 . 3.648 2.328 2.144 2.656 . 0 0 "[ . 1]" 1
2127 1 38 ARG H 1 38 ARG QB 4.429 . 6.881 2.519 2.431 2.848 . 0 0 "[ . 1]" 1
2128 2 38 ARG H 2 38 ARG QB 4.429 . 6.881 2.524 2.455 2.847 . 0 0 "[ . 1]" 1
2129 1 37 GLN HB2 1 38 ARG H 5.232 . 8.654 3.905 3.774 4.061 . 0 0 "[ . 1]" 1
2130 2 37 GLN HB2 2 38 ARG H 5.232 . 8.654 3.903 3.773 4.026 . 0 0 "[ . 1]" 1
2131 1 37 GLN HB3 1 38 ARG H 4.646 . 7.344 2.542 2.375 2.800 . 0 0 "[ . 1]" 1
2132 2 37 GLN HB3 2 38 ARG H 4.646 . 7.344 2.542 2.374 2.778 . 0 0 "[ . 1]" 1
2133 1 4 ARG HG2 1 7 THR H 2.992 . 4.111 3.120 2.426 3.969 . 0 0 "[ . 1]" 1
2134 2 4 ARG HG2 2 7 THR H 2.992 . 4.111 3.110 2.427 3.970 . 0 0 "[ . 1]" 1
2135 1 42 ASN H 1 45 GLN HE21 4.090 . 6.181 5.460 4.011 6.069 . 0 0 "[ . 1]" 1
2136 2 42 ASN H 2 45 GLN HE21 4.090 . 6.181 5.467 4.021 6.097 . 0 0 "[ . 1]" 1
2137 1 36 SER QB 1 42 ASN H 4.001 . 6.002 4.724 4.440 4.978 . 0 0 "[ . 1]" 1
2138 2 36 SER QB 2 42 ASN H 4.001 . 6.002 4.715 4.419 4.973 . 0 0 "[ . 1]" 1
2139 1 42 ASN H 1 42 ASN HA 2.529 . 3.329 2.860 2.806 2.912 . 0 0 "[ . 1]" 1
2140 2 42 ASN H 2 42 ASN HA 2.529 . 3.329 2.860 2.805 2.915 . 0 0 "[ . 1]" 1
2141 1 43 GLU H 1 45 GLN H 3.934 . 5.869 4.273 4.157 4.448 . 0 0 "[ . 1]" 1
2142 2 43 GLU H 2 45 GLN H 3.934 . 5.869 4.273 4.155 4.453 . 0 0 "[ . 1]" 1
2143 1 45 GLN H 1 45 GLN HE22 3.922 . 5.845 5.479 5.337 5.639 . 0 0 "[ . 1]" 1
2144 2 45 GLN H 2 45 GLN HE22 3.922 . 5.845 5.481 5.331 5.631 . 0 0 "[ . 1]" 1
2145 1 45 GLN H 1 45 GLN QB 2.704 . 3.618 2.372 2.339 2.394 . 0 0 "[ . 1]" 1
2146 2 45 GLN H 2 45 GLN QB 2.704 . 3.618 2.371 2.337 2.395 . 0 0 "[ . 1]" 1
2147 1 48 ARG H 1 50 PHE H 4.069 . 6.139 4.009 3.802 4.265 . 0 0 "[ . 1]" 1
2148 2 48 ARG H 2 50 PHE H 4.069 . 6.139 4.003 3.685 4.280 . 0 0 "[ . 1]" 1
2149 1 45 GLN H 1 48 ARG H 3.740 . 5.488 4.680 4.612 4.795 . 0 0 "[ . 1]" 1
2150 2 45 GLN H 2 48 ARG H 3.740 . 5.488 4.674 4.610 4.776 . 0 0 "[ . 1]" 1
2151 1 47 GLU HB2 1 48 ARG H 2.510 . 3.298 2.784 2.501 3.087 . 0 0 "[ . 1]" 1
2152 2 47 GLU HB2 2 48 ARG H 2.510 . 3.298 2.792 2.486 3.082 . 0 0 "[ . 1]" 1
2153 1 46 ILE H 1 49 TRP H 4.046 . 6.092 4.862 4.453 5.313 . 0 0 "[ . 1]" 1
2154 2 46 ILE H 2 49 TRP H 4.046 . 6.092 4.853 4.454 5.267 . 0 0 "[ . 1]" 1
2155 1 51 ARG H 1 54 GLU QG 4.083 . 6.167 5.036 4.472 5.819 . 0 0 "[ . 1]" 1
2156 2 51 ARG H 2 54 GLU QG 4.083 . 6.167 5.036 4.473 5.821 . 0 0 "[ . 1]" 1
2157 1 51 ARG HB3 1 52 ARG H 2.778 . 3.743 3.872 2.601 4.328 0.585 8 1 "[ . + 1]" 1
2158 2 51 ARG HB3 2 52 ARG H 2.778 . 3.743 3.870 2.599 4.327 0.584 8 1 "[ . + 1]" 1
2159 1 56 GLN HG3 1 57 ILE H 3.445 . 4.929 3.931 3.454 4.860 . 0 0 "[ . 1]" 1
2160 2 56 GLN HG3 2 57 ILE H 3.445 . 4.929 3.927 3.446 4.833 . 0 0 "[ . 1]" 1
2161 1 56 GLN HB3 1 57 ILE H 2.388 . 3.101 2.762 2.378 3.339 0.238 8 0 "[ . 1]" 1
2162 2 56 GLN HB3 2 57 ILE H 2.388 . 3.101 2.741 2.333 3.340 0.239 8 0 "[ . 1]" 1
2163 1 63 GLN H 1 63 GLN HA 2.434 . 3.175 2.747 2.263 2.919 . 0 0 "[ . 1]" 1
2164 2 63 GLN H 2 63 GLN HA 2.434 . 3.175 2.739 2.263 2.918 . 0 0 "[ . 1]" 1
2165 1 21 PHE QE 1 53 LYS H 4.208 . 6.422 5.421 4.113 7.958 1.536 4 1 "[ +. 1]" 1
2166 2 21 PHE QE 2 53 LYS H 4.208 . 6.422 5.258 4.118 6.423 0.001 4 0 "[ . 1]" 1
2167 1 21 PHE H 1 21 PHE QD 4.253 . 6.514 2.831 1.580 4.051 0.412 9 0 "[ . 1]" 1
2168 2 21 PHE H 2 21 PHE QD 4.253 . 6.514 2.840 1.540 4.075 0.452 9 0 "[ . 1]" 1
2169 1 14 LYS H 1 17 LEU QD 4.048 . 6.096 4.511 3.716 5.030 . 0 0 "[ . 1]" 1
2170 2 14 LYS H 2 17 LEU QD 4.048 . 6.096 4.518 3.817 5.046 . 0 0 "[ . 1]" 1
2171 1 50 PHE H 1 50 PHE QE 4.141 . 6.284 5.863 4.317 6.047 . 0 0 "[ . 1]" 1
2172 2 50 PHE H 2 50 PHE QE 4.141 . 6.284 5.862 4.311 6.047 . 0 0 "[ . 1]" 1
2173 1 28 THR H 1 31 TRP QB 3.689 . 5.390 2.243 1.961 3.105 0.027 6 0 "[ . 1]" 1
2174 2 28 THR H 2 31 TRP QB 3.689 . 5.390 2.261 1.843 3.106 0.145 4 0 "[ . 1]" 1
2175 1 29 PRO HD2 1 30 GLU H 4.112 . 6.226 3.096 2.844 3.464 . 0 0 "[ . 1]" 1
2176 2 29 PRO HD2 2 30 GLU H 4.112 . 6.226 3.093 2.831 3.451 . 0 0 "[ . 1]" 1
2177 1 30 GLU H 1 30 GLU HG2 4.203 . 6.411 3.765 2.193 4.451 . 0 0 "[ . 1]" 1
2178 2 30 GLU H 2 30 GLU HG2 4.203 . 6.411 3.761 2.194 4.451 . 0 0 "[ . 1]" 1
2179 1 28 THR MG 1 30 GLU H 4.356 . 6.728 4.402 2.755 4.915 . 0 0 "[ . 1]" 1
2180 2 28 THR MG 2 30 GLU H 4.356 . 6.728 4.405 2.818 4.915 . 0 0 "[ . 1]" 1
2181 1 29 PRO HB2 1 30 GLU H 4.022 . 6.044 2.631 2.415 3.236 . 0 0 "[ . 1]" 1
2182 2 29 PRO HB2 2 30 GLU H 4.022 . 6.044 2.636 2.371 3.238 . 0 0 "[ . 1]" 1
2183 1 6 ARG H 1 7 THR H 2.739 . 3.677 3.270 2.505 4.366 0.689 9 1 "[ . +1]" 1
2184 2 6 ARG H 2 7 THR H 2.739 . 3.677 3.267 2.500 4.364 0.687 9 1 "[ . +1]" 1
2185 1 6 ARG H 1 8 GLU H 2.585 . 6.000 3.759 3.127 5.013 . 0 0 "[ . 1]" 1
2186 2 6 ARG H 2 8 GLU H 2.585 . 6.000 3.755 3.131 5.015 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 790.653
_Distance_constraint_stats_list.Viol_max 2.049
_Distance_constraint_stats_list.Viol_rms 0.2766
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0941
_Distance_constraint_stats_list.Viol_average_violations_only 0.5607
_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 11 GLU 3.896 1.343 4 3 "[ +.*- 1]"
1 12 GLU 16.256 2.049 6 7 "[* -*.+* **]"
1 13 GLN 1.385 0.456 10 0 "[ . 1]"
1 14 LYS 0.220 0.220 4 0 "[ . 1]"
1 15 LYS 4.261 1.343 4 3 "[ +.*- 1]"
1 16 ALA 21.348 2.049 6 9 "[* **-+****]"
1 17 LEU 1.385 0.456 10 0 "[ . 1]"
1 18 ASP 0.220 0.220 4 0 "[ . 1]"
1 19 LEU 0.365 0.354 8 0 "[ . 1]"
1 20 ALA 5.092 1.643 9 4 "[ * - *+1]"
1 29 PRO 2.993 0.943 1 1 "[+ . 1]"
1 30 GLU 2.755 0.955 10 1 "[ . +]"
1 31 TRP 0.000 0.000 . 0 "[ . 1]"
1 32 ARG 0.000 0.000 . 0 "[ . 1]"
1 33 ARG 3.503 0.943 1 2 "[+ -. 1]"
1 34 TYR 2.755 0.955 10 1 "[ . +]"
1 35 LEU 0.000 0.000 . 0 "[ . 1]"
1 36 SER 0.000 0.000 . 0 "[ . 1]"
1 37 GLN 0.510 0.510 4 1 "[ +. 1]"
1 43 GLU 0.000 0.000 . 0 "[ . 1]"
1 44 GLU 0.000 0.000 . 0 "[ . 1]"
1 45 GLN 0.000 0.000 . 0 "[ . 1]"
1 46 ILE 0.000 0.000 . 0 "[ . 1]"
1 47 GLU 0.000 0.000 . 0 "[ . 1]"
1 48 ARG 0.000 0.000 . 0 "[ . 1]"
1 49 TRP 0.000 0.000 . 0 "[ . 1]"
1 50 PHE 4.877 0.785 8 5 "[ * **- + 1]"
1 51 ARG 0.105 0.105 6 0 "[ . 1]"
1 52 ARG 1.774 0.626 7 2 "[- . + 1]"
1 53 LYS 0.000 0.000 . 0 "[ . 1]"
1 54 GLU 4.877 0.785 8 5 "[ * **- + 1]"
1 55 GLN 0.105 0.105 6 0 "[ . 1]"
1 56 GLN 1.774 0.626 7 2 "[- . + 1]"
2 11 GLU 3.657 1.200 4 3 "[ +.*- 1]"
2 12 GLU 15.682 2.039 6 7 "[* **.+* -*]"
2 13 GLN 1.207 0.351 6 0 "[ . 1]"
2 14 LYS 0.000 0.000 . 0 "[ . 1]"
2 15 LYS 4.063 1.200 4 3 "[ +.*- 1]"
2 16 ALA 20.239 2.039 6 9 "[* **-+****]"
2 17 LEU 1.207 0.351 6 0 "[ . 1]"
2 18 ASP 0.000 0.000 . 0 "[ . 1]"
2 19 LEU 0.406 0.355 8 0 "[ . 1]"
2 20 ALA 4.557 1.335 9 4 "[ * - *+1]"
2 29 PRO 3.175 0.947 1 3 "[+ . - *]"
2 30 GLU 2.803 0.984 10 1 "[ . +]"
2 31 TRP 0.159 0.159 3 0 "[ . 1]"
2 32 ARG 0.000 0.000 . 0 "[ . 1]"
2 33 ARG 3.656 0.947 1 3 "[+ . - *]"
2 34 TYR 2.803 0.984 10 1 "[ . +]"
2 35 LEU 0.159 0.159 3 0 "[ . 1]"
2 36 SER 0.000 0.000 . 0 "[ . 1]"
2 37 GLN 0.481 0.481 4 0 "[ . 1]"
2 43 GLU 0.000 0.000 . 0 "[ . 1]"
2 44 GLU 0.000 0.000 . 0 "[ . 1]"
2 45 GLN 0.000 0.000 . 0 "[ . 1]"
2 46 ILE 0.000 0.000 . 0 "[ . 1]"
2 47 GLU 0.000 0.000 . 0 "[ . 1]"
2 48 ARG 0.000 0.000 . 0 "[ . 1]"
2 49 TRP 0.000 0.000 . 0 "[ . 1]"
2 50 PHE 4.843 0.786 8 5 "[ * **- + 1]"
2 51 ARG 0.076 0.076 6 0 "[ . 1]"
2 52 ARG 1.792 0.661 7 2 "[- . + 1]"
2 53 LYS 0.000 0.000 . 0 "[ . 1]"
2 54 GLU 4.843 0.786 8 5 "[ * **- + 1]"
2 55 GLN 0.076 0.076 6 0 "[ . 1]"
2 56 GLN 1.792 0.661 7 2 "[- . + 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 11 GLU O 1 15 LYS H 2.200 . 2.700 2.785 2.048 4.043 1.343 4 3 "[ +.*- 1]" 2
2 1 12 GLU O 1 16 ALA H 2.200 . 2.700 3.565 2.041 4.749 2.049 6 7 "[- **.+* **]" 2
3 1 13 GLN O 1 17 LEU H 2.200 . 2.700 2.617 2.084 3.156 0.456 10 0 "[ . 1]" 2
4 1 14 LYS O 1 18 ASP H 2.200 . 2.700 2.331 2.065 2.920 0.220 4 0 "[ . 1]" 2
5 1 15 LYS O 1 19 LEU H 2.200 . 2.700 2.384 1.966 3.054 0.354 8 0 "[ . 1]" 2
6 1 16 ALA O 1 20 ALA H 2.200 . 2.700 2.942 1.966 4.343 1.643 9 4 "[ * - *+1]" 2
7 1 29 PRO O 1 33 ARG H 2.200 . 2.700 2.626 2.114 3.643 0.943 1 1 "[+ . 1]" 2
8 1 30 GLU O 1 34 TYR H 2.200 . 2.700 2.673 2.017 3.655 0.955 10 1 "[ . +]" 2
9 1 31 TRP O 1 35 LEU H 2.200 . 2.700 2.227 1.890 2.610 . 0 0 "[ . 1]" 2
10 1 32 ARG O 1 36 SER H 2.200 . 2.700 2.016 1.895 2.234 . 0 0 "[ . 1]" 2
11 1 33 ARG O 1 37 GLN H 2.200 . 2.700 2.348 2.089 3.210 0.510 4 1 "[ +. 1]" 2
12 1 43 GLU O 1 47 GLU H 2.200 . 2.700 2.296 2.084 2.617 . 0 0 "[ . 1]" 2
13 1 44 GLU O 1 48 ARG H 2.200 . 2.700 2.164 1.940 2.459 . 0 0 "[ . 1]" 2
14 1 45 GLN O 1 49 TRP H 2.200 . 2.700 2.337 2.028 2.687 . 0 0 "[ . 1]" 2
15 1 46 ILE O 1 50 PHE H 2.200 . 2.700 2.038 1.907 2.227 . 0 0 "[ . 1]" 2
16 1 47 GLU O 1 51 ARG H 2.200 . 2.700 2.091 1.933 2.200 . 0 0 "[ . 1]" 2
17 1 48 ARG O 1 52 ARG H 2.200 . 2.700 1.958 1.831 2.066 . 0 0 "[ . 1]" 2
18 1 49 TRP O 1 53 LYS H 2.200 . 2.700 2.171 1.931 2.537 . 0 0 "[ . 1]" 2
19 1 51 ARG O 1 55 GLN H 2.200 . 2.700 2.096 1.855 2.805 0.105 6 0 "[ . 1]" 2
20 1 52 ARG O 1 56 GLN H 2.200 . 2.700 2.771 2.361 3.326 0.626 7 2 "[- . + 1]" 2
21 1 43 GLU O 1 47 GLU N 3.200 2.516 3.927 3.225 3.016 3.531 . 0 0 "[ . 1]" 2
22 1 14 LYS O 1 18 ASP N 3.200 2.516 3.927 3.050 2.730 3.387 . 0 0 "[ . 1]" 2
23 1 11 GLU O 1 15 LYS N 3.200 2.516 3.927 3.619 2.982 4.701 0.774 4 1 "[ +. 1]" 2
24 1 47 GLU O 1 51 ARG N 3.200 2.516 3.927 3.030 2.877 3.171 . 0 0 "[ . 1]" 2
25 1 30 GLU O 1 34 TYR N 3.200 2.516 3.927 3.451 2.633 4.435 0.508 10 1 "[ . +]" 2
26 1 44 GLU O 1 48 ARG N 3.200 2.516 3.927 3.026 2.842 3.208 . 0 0 "[ . 1]" 2
27 1 32 ARG O 1 36 SER N 3.200 2.516 3.927 2.969 2.855 3.172 . 0 0 "[ . 1]" 2
28 1 48 ARG O 1 52 ARG N 3.200 2.516 3.927 2.871 2.697 3.017 . 0 0 "[ . 1]" 2
29 1 46 ILE O 1 50 PHE N 3.200 2.516 3.927 2.958 2.827 3.185 . 0 0 "[ . 1]" 2
30 1 31 TRP O 1 35 LEU N 3.200 2.516 3.927 3.149 2.810 3.518 . 0 0 "[ . 1]" 2
31 1 33 ARG O 1 37 GLN N 3.200 2.516 3.927 3.110 2.797 3.713 . 0 0 "[ . 1]" 2
32 1 29 PRO O 1 33 ARG N 3.200 2.516 3.927 3.571 3.039 4.604 0.677 1 1 "[+ . 1]" 2
33 1 52 ARG O 1 56 GLN N 3.200 2.516 3.927 3.484 3.124 3.952 0.025 1 0 "[ . 1]" 2
34 1 49 TRP O 1 53 LYS N 3.200 2.516 3.927 2.949 2.720 3.361 . 0 0 "[ . 1]" 2
35 1 45 GLN O 1 49 TRP N 3.200 2.516 3.927 3.288 2.952 3.644 . 0 0 "[ . 1]" 2
36 1 13 GLN O 1 17 LEU N 3.200 2.516 3.927 3.499 3.006 4.072 0.145 10 0 "[ . 1]" 2
37 1 15 LYS O 1 19 LEU N 3.200 2.516 3.927 3.198 2.891 3.641 . 0 0 "[ . 1]" 2
38 1 12 GLU O 1 16 ALA N 3.200 2.516 3.927 4.406 2.961 5.308 1.381 4 5 "[ -+.** *]" 2
39 1 16 ALA O 1 20 ALA N 3.200 2.516 3.927 3.568 2.872 4.387 0.460 9 0 "[ . 1]" 2
40 1 51 ARG O 1 55 GLN N 3.200 2.516 3.927 2.930 2.753 3.327 . 0 0 "[ . 1]" 2
41 1 50 PHE O 1 54 GLU H 2.200 . 2.700 3.084 2.391 3.485 0.785 8 5 "[ * **- + 1]" 2
42 1 50 PHE O 1 54 GLU N 3.200 2.516 3.927 3.821 3.217 4.186 0.259 4 0 "[ . 1]" 2
43 2 11 GLU O 2 15 LYS H 2.200 . 2.700 2.751 2.041 3.900 1.200 4 3 "[ +.*- 1]" 2
44 2 12 GLU O 2 16 ALA H 2.200 . 2.700 3.534 2.039 4.739 2.039 6 7 "[* **.+* -*]" 2
45 2 13 GLN O 2 17 LEU H 2.200 . 2.700 2.601 2.065 3.051 0.351 6 0 "[ . 1]" 2
46 2 14 LYS O 2 18 ASP H 2.200 . 2.700 2.244 2.107 2.626 . 0 0 "[ . 1]" 2
47 2 15 LYS O 2 19 LEU H 2.200 . 2.700 2.397 1.966 3.055 0.355 8 0 "[ . 1]" 2
48 2 16 ALA O 2 20 ALA H 2.200 . 2.700 2.874 1.968 4.035 1.335 9 4 "[ * - *+1]" 2
49 2 29 PRO O 2 33 ARG H 2.200 . 2.700 2.662 2.110 3.647 0.947 1 3 "[+ . - *]" 2
50 2 30 GLU O 2 34 TYR H 2.200 . 2.700 2.725 2.053 3.684 0.984 10 1 "[ . +]" 2
51 2 31 TRP O 2 35 LEU H 2.200 . 2.700 2.282 1.889 2.859 0.159 3 0 "[ . 1]" 2
52 2 32 ARG O 2 36 SER H 2.200 . 2.700 2.037 1.894 2.299 . 0 0 "[ . 1]" 2
53 2 33 ARG O 2 37 GLN H 2.200 . 2.700 2.331 2.086 3.181 0.481 4 0 "[ . 1]" 2
54 2 43 GLU O 2 47 GLU H 2.200 . 2.700 2.273 2.084 2.571 . 0 0 "[ . 1]" 2
55 2 44 GLU O 2 48 ARG H 2.200 . 2.700 2.165 1.942 2.537 . 0 0 "[ . 1]" 2
56 2 45 GLN O 2 49 TRP H 2.200 . 2.700 2.323 2.034 2.635 . 0 0 "[ . 1]" 2
57 2 46 ILE O 2 50 PHE H 2.200 . 2.700 2.033 1.905 2.214 . 0 0 "[ . 1]" 2
58 2 47 GLU O 2 51 ARG H 2.200 . 2.700 2.104 1.949 2.231 . 0 0 "[ . 1]" 2
59 2 48 ARG O 2 52 ARG H 2.200 . 2.700 1.961 1.858 2.045 . 0 0 "[ . 1]" 2
60 2 49 TRP O 2 53 LYS H 2.200 . 2.700 2.177 1.936 2.555 . 0 0 "[ . 1]" 2
61 2 51 ARG O 2 55 GLN H 2.200 . 2.700 2.083 1.851 2.776 0.076 6 0 "[ . 1]" 2
62 2 52 ARG O 2 56 GLN H 2.200 . 2.700 2.770 2.360 3.361 0.661 7 2 "[- . + 1]" 2
63 2 43 GLU O 2 47 GLU N 3.200 2.516 3.927 3.203 3.007 3.479 . 0 0 "[ . 1]" 2
64 2 14 LYS O 2 18 ASP N 3.200 2.516 3.927 3.001 2.724 3.388 . 0 0 "[ . 1]" 2
65 2 11 GLU O 2 15 LYS N 3.200 2.516 3.927 3.588 2.974 4.575 0.648 4 1 "[ +. 1]" 2
66 2 47 GLU O 2 51 ARG N 3.200 2.516 3.927 3.042 2.891 3.176 . 0 0 "[ . 1]" 2
67 2 30 GLU O 2 34 TYR N 3.200 2.516 3.927 3.494 2.664 4.464 0.537 10 1 "[ . +]" 2
68 2 44 GLU O 2 48 ARG N 3.200 2.516 3.927 3.021 2.845 3.268 . 0 0 "[ . 1]" 2
69 2 32 ARG O 2 36 SER N 3.200 2.516 3.927 2.992 2.853 3.237 . 0 0 "[ . 1]" 2
70 2 48 ARG O 2 52 ARG N 3.200 2.516 3.927 2.875 2.726 2.997 . 0 0 "[ . 1]" 2
71 2 46 ILE O 2 50 PHE N 3.200 2.516 3.927 2.953 2.826 3.171 . 0 0 "[ . 1]" 2
72 2 31 TRP O 2 35 LEU N 3.200 2.516 3.927 3.198 2.811 3.759 . 0 0 "[ . 1]" 2
73 2 33 ARG O 2 37 GLN N 3.200 2.516 3.927 3.101 2.787 3.699 . 0 0 "[ . 1]" 2
74 2 29 PRO O 2 33 ARG N 3.200 2.516 3.927 3.606 3.039 4.609 0.682 1 1 "[+ . 1]" 2
75 2 52 ARG O 2 56 GLN N 3.200 2.516 3.927 3.492 3.113 3.948 0.021 1 0 "[ . 1]" 2
76 2 49 TRP O 2 53 LYS N 3.200 2.516 3.927 2.949 2.725 3.353 . 0 0 "[ . 1]" 2
77 2 45 GLN O 2 49 TRP N 3.200 2.516 3.927 3.274 2.957 3.595 . 0 0 "[ . 1]" 2
78 2 13 GLN O 2 17 LEU N 3.200 2.516 3.927 3.482 2.985 3.967 0.040 6 0 "[ . 1]" 2
79 2 15 LYS O 2 19 LEU N 3.200 2.516 3.927 3.190 2.914 3.653 . 0 0 "[ . 1]" 2
80 2 12 GLU O 2 16 ALA N 3.200 2.516 3.927 4.380 2.960 5.251 1.324 6 5 "[ -*.+* *]" 2
81 2 16 ALA O 2 20 ALA N 3.200 2.516 3.927 3.493 2.752 4.335 0.408 8 0 "[ . 1]" 2
82 2 51 ARG O 2 55 GLN N 3.200 2.516 3.927 2.926 2.746 3.309 . 0 0 "[ . 1]" 2
83 2 50 PHE O 2 54 GLU H 2.200 . 2.700 3.083 2.394 3.486 0.786 8 5 "[ * **- + 1]" 2
84 2 50 PHE O 2 54 GLU N 3.200 2.516 3.927 3.818 3.220 4.198 0.271 4 0 "[ . 1]" 2
stop_
save_
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