NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
583275 |
2mh0   |
19610 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mh0
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 3151
_Distance_constraint_stats_list.Viol_count 10951
_Distance_constraint_stats_list.Viol_total 54106.422
_Distance_constraint_stats_list.Viol_max 1.569
_Distance_constraint_stats_list.Viol_rms 0.1298
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0429
_Distance_constraint_stats_list.Viol_average_violations_only 0.2470
_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 3 MET 1.221 0.328 3 0 "[ . 1 . 2]"
1 4 ASN 7.389 0.579 9 3 "[* -. +1 . 2]"
1 5 GLN 13.703 0.579 9 3 "[* -. +1 . 2]"
1 6 PRO 23.106 0.807 16 8 "[* *. * 1** -.+ *2]"
1 7 GLN 46.164 1.160 10 15 "[**-*. ***+** *** **2]"
1 8 ARG 44.968 1.160 10 17 "[**- .****+****** ***]"
1 9 MET 33.218 1.047 2 16 "[*+ *.***-*****.* ***]"
1 10 ALA 38.398 0.895 13 16 "[** *.***-***+**** *2]"
1 11 PRO 25.450 0.911 4 11 "[*- +. ***1* *** *2]"
1 12 VAL 53.550 0.994 17 15 "[****.* * ** -**+***]"
1 13 GLY 16.835 0.511 9 1 "[ . +1 . 2]"
1 14 THR 47.742 0.816 10 11 "[* * .** +*- ** * *]"
1 15 ASP 40.443 0.687 16 10 "[ *- . * * * *+***2]"
1 16 LYS 58.004 1.157 10 13 "[ ***.* *-+* *.*** *]"
1 17 GLU 50.961 1.157 10 12 "[*** * **-+** * * 2]"
1 18 LEU 38.543 0.564 7 3 "[ -* + 1 . 2]"
1 19 SER 38.084 0.720 5 7 "[ -+ ** * .* *2]"
1 20 ASP 22.233 0.985 4 20 [***+****-***********]
1 21 LEU 40.259 0.986 11 9 "[ *- ** * 1+ * * *]"
1 22 LEU 53.066 1.110 12 20 [***********+*******-]
1 23 ASP 39.719 1.110 12 14 "[** *. * ***+**. ***-]"
1 24 PHE 93.205 0.986 11 19 "[**********+****-* **]"
1 25 SER 7.894 0.573 7 1 "[ . + 1 . 2]"
1 26 MET 45.391 0.830 10 19 "[ **-*****+**********]"
1 27 MET 62.549 0.775 9 6 "[ . +* *. *-*]"
1 28 PHE 51.248 0.706 20 3 "[ . 1 *. -+]"
1 29 PRO 45.361 1.441 4 12 "[*- +*** *1* * . ***]"
1 30 LEU 53.631 1.441 4 14 "[*- +*** *** * * ***]"
1 31 PRO 16.314 0.792 5 4 "[ -+ 1 * .* 2]"
1 32 VAL 23.490 0.792 5 5 "[ *+ 1- **. 2]"
1 33 THR 20.580 0.758 16 9 "[ * *. 1*** .+*-*2]"
1 34 ASN 20.411 0.917 8 12 "[ * ** + 1-***.****2]"
1 35 GLY 2.756 0.585 11 1 "[ . 1+ . 2]"
1 36 LYS 18.538 0.917 8 10 "[ * *.* + 1 * *- ***]"
1 37 GLY 12.350 0.707 15 8 "[ * *.* * 1 * +- * 2]"
1 38 ARG 6.297 0.545 20 2 "[ . 1 - . +]"
1 39 PRO 1.867 0.243 10 0 "[ . 1 . 2]"
2 2 SER 8.404 0.937 12 4 "[ * - 1 + * 2]"
2 3 ALA 10.713 0.937 12 3 "[ - 1 + * 2]"
2 4 THR 33.678 0.839 2 13 "[ +***** * ***. ** *]"
2 5 GLN 78.201 0.809 9 20 [*-******+***********]
2 6 SER 24.859 0.696 20 12 "[* ** * - ***** *+]"
2 7 PRO 16.768 0.467 11 0 "[ . 1 . 2]"
2 8 GLY 3.564 0.272 12 0 "[ . 1 . 2]"
2 9 ASP 62.475 0.905 18 18 "[ * ***-**********+**]"
2 10 SER 26.688 0.753 10 18 "[*********+*-****** 2]"
2 11 ARG 37.265 0.708 8 11 "[ **. *+ 1*-* .****2]"
2 12 ARG 50.236 1.086 16 18 "[******* ** ****+****]"
2 13 LEU 93.555 1.086 16 20 [***************+****]
2 14 SER 12.409 0.478 4 0 "[ . 1 . 2]"
2 15 ILE 86.907 1.021 4 20 [**-+****************]
2 16 GLN 34.717 0.571 14 6 "[ -*.* * * +. 2]"
2 17 ARG 4.033 0.339 8 0 "[ . 1 . 2]"
2 18 ALA 19.529 0.681 15 10 "[ ** . * ** +*** -]"
2 19 ILE 53.049 0.820 14 10 "[ **.***** +. *-]"
2 20 GLN 43.147 0.557 20 7 "[ .*- 1* * * *+]"
2 21 SER 8.560 0.577 13 8 "[*-**. 1 +** *]"
2 22 LEU 90.220 1.569 11 20 [**********+*******-*]
2 23 VAL 49.890 0.780 12 20 [**********-+********]
2 24 HIS 43.870 0.740 11 13 "[ *******+ -**** 2]"
2 25 ALA 13.069 0.776 19 3 "[ . 1 .* +-]"
2 26 ALA 62.485 0.752 20 18 "[ * ***-************+]"
2 27 GLN 42.508 0.752 20 16 "[****.*- ******* * *+]"
2 28 CYS 53.316 0.947 17 20 [*************-**+***]
2 29 ARG 39.149 0.947 17 20 [****************+***]
2 30 ASN 28.856 0.797 4 13 "[ *+* ** * **- ****]"
2 31 ALA 13.930 0.496 9 0 "[ . 1 . 2]"
2 32 ASN 15.470 0.960 8 6 "[ . *+ - . ***2]"
2 33 CYS 24.546 0.960 8 9 "[ ** .**+ 1 * * - *2]"
2 34 SER 37.564 0.638 3 12 "[ +*** *1** ** *- *]"
2 35 LEU 153.935 0.748 3 17 "[ *+********* ****-*2]"
2 36 PRO 38.853 0.858 9 1 "[ . +1 . 2]"
2 37 SER 7.826 0.506 14 1 "[ . 1 +. 2]"
2 38 CYS 49.494 0.486 5 0 "[ . 1 . 2]"
2 39 GLN 65.407 0.858 9 12 "[ * .** +* * **** -*]"
2 40 LYS 41.328 0.803 9 13 "[** .***+*** *.-* *]"
2 41 MET 87.366 1.569 11 20 [********-*+*********]
2 42 LYS 70.633 0.908 18 17 "[ -*********** ***+ *]"
2 43 ARG 42.350 1.137 16 16 "[*** .******* *.+***-]"
2 44 VAL 77.015 1.137 16 13 "[ *-. ** ******+* *]"
2 45 VAL 88.020 1.133 6 20 [*****+************-*]
2 46 GLN 40.254 0.741 7 12 "[ -* .*+* ** * ** * *]"
2 47 HIS 35.034 0.752 17 9 "[* * . * ** - .*+* 2]"
2 48 THR 59.733 0.834 15 20 [**************+**-**]
2 49 LYS 34.968 0.947 16 9 "[* *. *-*1* *+ *2]"
2 50 GLY 8.446 0.707 10 5 "[ - ** + * . 2]"
2 51 CYS 28.395 0.774 3 17 "[**+** ***** *****-*2]"
2 52 LYS 20.885 0.776 14 14 "[***-*** ** * +* * *]"
2 53 ARG 30.732 0.816 2 7 "[ + -. ** * * *]"
2 54 LYS 66.268 1.040 2 19 "[*+****-***** *******]"
2 55 THR 43.964 1.040 2 13 "[*+ * *****- *. * **]"
2 56 ASN 24.862 0.776 14 11 "[* * .** ** +* * **]"
2 57 GLY 12.455 0.972 10 8 "[ .** *+ * *. * -2]"
2 58 GLY 9.693 0.687 6 7 "[ * .+ ** -. **]"
2 59 CYS 30.763 0.972 10 13 "[** *** - +** .* ***]"
2 60 PRO 16.843 0.825 9 1 "[ . +1 . 2]"
2 61 ILE 88.486 0.752 17 14 "[* **. * -**** **+* *]"
2 62 CYS 26.544 0.578 9 6 "[ . -+* *** 2]"
2 63 LYS 28.116 0.825 9 6 "[*- . *+1* .* 2]"
2 64 GLN 36.647 0.696 11 7 "[*- . ***1+ .* 2]"
2 65 LEU 60.342 0.775 9 20 [*******-+***********]
2 66 ILE 21.217 0.682 10 4 "[ * - *+ . 2]"
2 67 ALA 9.350 0.347 20 0 "[ . 1 . 2]"
2 68 LEU 133.309 1.544 5 20 [****+**********-****]
2 69 ALA 27.352 0.820 14 7 "[ *. ** +* * -]"
2 70 ALA 26.519 0.476 20 0 "[ . 1 . 2]"
2 71 TYR 183.975 1.544 5 20 [****+**********-****]
2 72 HIS 56.413 0.765 2 20 [*+-*****************]
2 73 ALA 25.115 0.859 18 3 "[ . *- . + 2]"
2 74 LYS 42.640 1.018 10 14 "[****. * +** **** *-]"
2 75 HIS 24.620 0.807 12 15 "[***** * **+*-.** **]"
2 76 CYS 33.229 0.859 18 19 [****.*-**********+**]
2 77 GLN 24.332 0.807 12 12 "[- ** **** +* * **]"
2 78 GLU 54.226 0.844 2 18 "[*+ **-********** ***]"
2 79 ASN 23.889 0.631 17 13 "[* **** ** ***+* -]"
2 80 LYS 71.910 0.844 2 18 "[*+********** ***** -]"
2 81 CYS 31.668 0.836 16 11 "[ * * ******+ * -]"
2 82 PRO 6.785 0.546 20 2 "[ . - 1 . +]"
2 83 VAL 46.742 0.765 2 13 "[ +* *** * **** *- *]"
2 84 PRO 52.368 0.947 16 14 "[** ** * *1*- *+****]"
2 85 PHE 55.292 0.761 16 17 "[* *******1*****+*-*2]"
2 86 CYS 45.761 0.637 1 11 "[+ **. **** * .- **2]"
2 87 LEU 70.817 1.279 18 20 [***************-*+**]
2 88 ASN 25.524 0.671 16 2 "[ . 1 - .+ 2]"
2 89 ILE 73.603 0.689 16 16 "[ **-* ***1*****+***2]"
2 90 LYS 81.309 1.279 18 20 [**-**************+**]
2 91 GLN 60.489 0.815 17 13 "[* *** *-* *** + **]"
2 92 LYS 18.230 0.671 16 2 "[ . 1 - .+ 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 SER H 2 61 ILE MD . . 4.860 4.816 4.631 4.921 0.061 2 0 "[ . 1 . 2]" 1
2 1 23 ASP H 1 24 PHE H . . 3.640 2.726 2.622 2.798 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET HA 1 4 ASN H . . 3.420 2.815 2.198 3.587 0.167 12 0 "[ . 1 . 2]" 1
4 1 3 MET HB3 1 4 ASN H . . 5.030 3.655 1.884 4.703 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET HB2 1 4 ASN H . . 5.030 3.794 2.054 4.624 . 0 0 "[ . 1 . 2]" 1
6 1 4 ASN H 1 5 GLN H . . 4.030 4.047 2.383 4.609 0.579 9 3 "[* -. +1 . 2]" 1
7 1 4 ASN HA 1 5 GLN H . . 2.690 2.368 2.134 2.863 0.173 12 0 "[ . 1 . 2]" 1
8 1 5 GLN H 1 6 PRO HD3 . . 5.090 4.890 4.453 5.561 0.471 4 0 "[ . 1 . 2]" 1
9 1 5 GLN H 1 6 PRO HD2 . . 5.090 5.117 4.791 5.418 0.328 12 0 "[ . 1 . 2]" 1
10 1 5 GLN H 1 5 GLN QG . . 3.610 2.593 1.995 3.242 . 0 0 "[ . 1 . 2]" 1
11 1 6 PRO HA 1 7 GLN H . . 2.700 2.297 2.156 2.623 . 0 0 "[ . 1 . 2]" 1
12 1 6 PRO HD3 1 7 GLN H . . 5.500 5.619 5.307 5.821 0.321 3 0 "[ . 1 . 2]" 1
13 1 6 PRO HD2 1 7 GLN H . . 5.500 5.483 5.169 5.830 0.330 4 0 "[ . 1 . 2]" 1
14 1 7 GLN H 1 7 GLN QG . . 3.460 2.539 1.893 3.450 . 0 0 "[ . 1 . 2]" 1
15 1 6 PRO QB 1 7 GLN H . . 3.590 3.003 2.156 3.803 0.213 11 0 "[ . 1 . 2]" 1
16 1 7 GLN H 1 7 GLN HB2 . . 3.750 2.961 2.452 3.665 . 0 0 "[ . 1 . 2]" 1
17 1 6 PRO QG 1 7 GLN H . . 4.060 4.494 3.796 4.867 0.807 16 8 "[* *. * 1** -.+ *2]" 1
18 1 31 PRO HD3 1 32 VAL H . . 5.500 5.533 5.356 5.656 0.156 5 0 "[ . 1 . 2]" 1
19 1 11 PRO HD2 1 12 VAL H . . 4.450 3.117 2.683 3.671 . 0 0 "[ . 1 . 2]" 1
20 1 31 PRO HB2 1 32 VAL H . . 3.250 2.699 2.002 3.158 . 0 0 "[ . 1 . 2]" 1
21 1 32 VAL H 1 32 VAL HB . . 2.870 2.694 2.473 3.400 0.530 4 1 "[ +. 1 . 2]" 1
22 1 31 PRO HB3 1 32 VAL H . . 3.440 3.551 3.311 3.716 0.276 14 0 "[ . 1 . 2]" 1
23 1 12 VAL H 1 12 VAL HB . . 3.160 3.487 2.523 3.612 0.452 14 0 "[ . 1 . 2]" 1
24 1 11 PRO QG 1 12 VAL H . . 3.540 3.650 2.990 4.451 0.911 4 5 "[ +. 1 *-* *2]" 1
25 1 32 VAL H 1 33 THR MG . . 4.660 4.368 3.748 4.893 0.233 2 0 "[ . 1 . 2]" 1
26 1 29 PRO QG 1 30 LEU H . . 3.310 2.573 1.785 3.648 0.338 18 0 "[ . 1 . 2]" 1
27 1 29 PRO QB 1 30 LEU H . . 3.570 2.375 1.985 3.977 0.407 18 0 "[ . 1 . 2]" 1
28 1 29 PRO HD2 1 30 LEU H . . 4.600 2.737 2.156 3.487 . 0 0 "[ . 1 . 2]" 1
29 1 28 PHE H 1 28 PHE HB3 . . 3.970 3.295 3.219 3.399 . 0 0 "[ . 1 . 2]" 1
30 1 28 PHE H 1 28 PHE HB2 . . 3.980 3.768 3.722 3.841 . 0 0 "[ . 1 . 2]" 1
31 1 25 SER H 1 25 SER HB2 . . 4.110 2.726 2.423 3.639 . 0 0 "[ . 1 . 2]" 1
32 1 25 SER H 1 25 SER HB3 . . 4.110 2.813 2.547 3.632 . 0 0 "[ . 1 . 2]" 1
33 1 19 SER H 1 19 SER HA . . 2.930 2.851 2.812 2.867 . 0 0 "[ . 1 . 2]" 1
34 1 19 SER H 1 19 SER HB2 . . 3.400 2.549 2.258 2.618 . 0 0 "[ . 1 . 2]" 1
35 1 20 ASP H 1 20 ASP QB . . 3.140 2.321 2.196 2.572 . 0 0 "[ . 1 . 2]" 1
36 1 20 ASP QB 1 21 LEU H . . 3.950 2.634 2.291 2.877 . 0 0 "[ . 1 . 2]" 1
37 1 21 LEU H 1 21 LEU QB . . 3.210 2.227 2.172 2.277 . 0 0 "[ . 1 . 2]" 1
38 1 21 LEU H 1 21 LEU QD . . 3.770 3.816 3.769 3.857 0.087 6 0 "[ . 1 . 2]" 1
39 1 21 LEU H 1 21 LEU HG . . 4.500 4.507 4.442 4.579 0.079 9 0 "[ . 1 . 2]" 1
40 1 22 LEU H 1 22 LEU HB3 . . 3.980 2.509 2.317 2.665 . 0 0 "[ . 1 . 2]" 1
41 1 22 LEU H 1 22 LEU HB2 . . 3.760 2.485 2.333 2.702 . 0 0 "[ . 1 . 2]" 1
42 1 24 PHE H 1 24 PHE QE . . 4.890 4.589 4.387 4.840 . 0 0 "[ . 1 . 2]" 1
43 1 23 ASP HB2 1 24 PHE H . . 4.400 3.699 2.599 4.067 . 0 0 "[ . 1 . 2]" 1
44 1 23 ASP HB3 1 24 PHE H . . 4.400 2.886 2.598 3.664 . 0 0 "[ . 1 . 2]" 1
45 1 24 PHE H 1 26 MET QG . . 5.000 4.312 4.153 4.475 . 0 0 "[ . 1 . 2]" 1
46 1 23 ASP H 1 23 ASP HB2 . . 3.410 2.518 2.414 2.607 . 0 0 "[ . 1 . 2]" 1
47 1 23 ASP H 1 23 ASP HB3 . . 3.410 2.733 2.407 3.640 0.230 1 0 "[ . 1 . 2]" 1
48 1 27 MET H 1 27 MET QG . . 3.900 3.963 2.785 4.072 0.172 14 0 "[ . 1 . 2]" 1
49 1 27 MET H 1 27 MET HB3 . . 3.700 2.439 2.344 2.569 . 0 0 "[ . 1 . 2]" 1
50 1 27 MET H 1 27 MET HB2 . . 3.870 2.737 2.550 3.651 . 0 0 "[ . 1 . 2]" 1
51 1 26 MET ME 1 27 MET H . . 4.000 3.168 3.052 3.276 . 0 0 "[ . 1 . 2]" 1
52 1 24 PHE HA 1 27 MET H . . 4.400 3.151 2.893 3.431 . 0 0 "[ . 1 . 2]" 1
53 1 26 MET H 1 27 MET H . . 3.590 2.376 2.295 2.463 . 0 0 "[ . 1 . 2]" 1
54 1 26 MET H 1 26 MET QG . . 3.790 2.183 1.988 2.355 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLN HA 1 8 ARG H . . 3.090 2.552 2.095 3.540 0.450 4 0 "[ . 1 . 2]" 1
56 1 8 ARG H 1 8 ARG QD . . 4.890 3.965 2.005 4.953 0.063 7 0 "[ . 1 . 2]" 1
57 1 7 GLN QG 1 8 ARG H . . 4.120 4.068 2.408 4.834 0.714 8 3 "[ - . + 1 * 2]" 1
58 1 8 ARG HA 1 9 MET H . . 2.700 2.299 2.122 2.823 0.123 13 0 "[ . 1 . 2]" 1
59 1 9 MET H 1 10 ALA MB . . 5.340 5.232 4.286 5.872 0.532 9 1 "[ . +1 . 2]" 1
60 1 9 MET HA 1 10 ALA H . . 2.700 2.228 2.135 2.548 . 0 0 "[ . 1 . 2]" 1
61 1 10 ALA H 1 10 ALA MB . . 2.850 2.389 2.246 2.782 . 0 0 "[ . 1 . 2]" 1
62 1 12 VAL H 1 13 GLY H . . 3.290 2.751 2.624 2.901 . 0 0 "[ . 1 . 2]" 1
63 1 12 VAL H 1 12 VAL MG1 . . 3.190 2.375 2.066 3.762 0.572 10 2 "[ . - + . 2]" 1
64 1 13 GLY H 1 13 GLY QA . . 2.420 2.252 2.184 2.349 . 0 0 "[ . 1 . 2]" 1
65 1 13 GLY H 1 17 GLU QG . . 4.800 4.838 4.186 5.132 0.332 20 0 "[ . 1 . 2]" 1
66 1 12 VAL HB 1 13 GLY H . . 3.680 3.824 2.741 4.149 0.469 2 0 "[ . 1 . 2]" 1
67 1 13 GLY H 1 16 LYS HB3 . . 4.990 4.529 3.720 5.018 0.028 4 0 "[ . 1 . 2]" 1
68 1 13 GLY H 1 16 LYS QG . . 5.080 2.620 2.073 3.185 . 0 0 "[ . 1 . 2]" 1
69 1 13 GLY H 1 16 LYS HD2 . . 5.500 4.481 3.186 5.703 0.203 18 0 "[ . 1 . 2]" 1
70 1 13 GLY H 1 16 LYS HD3 . . 5.500 4.869 3.950 5.859 0.359 18 0 "[ . 1 . 2]" 1
71 1 12 VAL MG1 1 13 GLY H . . 4.390 4.079 3.516 4.293 . 0 0 "[ . 1 . 2]" 1
72 1 13 GLY H 1 14 THR H . . 3.240 3.040 1.970 3.566 0.326 15 0 "[ . 1 . 2]" 1
73 1 14 THR H 1 15 ASP H . . 3.190 2.492 2.040 3.067 . 0 0 "[ . 1 . 2]" 1
74 1 13 GLY QA 1 14 THR H . . 3.000 2.706 2.497 2.932 . 0 0 "[ . 1 . 2]" 1
75 1 14 THR H 1 14 THR HB . . 3.520 2.702 2.500 3.021 . 0 0 "[ . 1 . 2]" 1
76 1 14 THR H 1 17 GLU QG . . 4.240 4.284 3.361 5.056 0.816 10 6 "[* . - +** * 2]" 1
77 1 12 VAL HB 1 14 THR H . . 3.370 3.503 2.874 3.702 0.332 16 0 "[ . 1 . 2]" 1
78 1 14 THR H 1 18 LEU MD2 . . 5.230 5.389 5.195 5.659 0.429 1 0 "[ . 1 . 2]" 1
79 1 15 ASP H 1 16 LYS H . . 3.220 2.830 2.671 2.925 . 0 0 "[ . 1 . 2]" 1
80 1 14 THR HB 1 15 ASP H . . 2.590 2.353 2.086 2.586 . 0 0 "[ . 1 . 2]" 1
81 1 13 GLY QA 1 15 ASP H . . 5.040 4.654 4.301 4.958 . 0 0 "[ . 1 . 2]" 1
82 1 15 ASP H 1 15 ASP HB2 . . 3.630 2.440 2.309 2.569 . 0 0 "[ . 1 . 2]" 1
83 1 15 ASP H 1 15 ASP HB3 . . 3.630 3.115 2.511 3.655 0.025 15 0 "[ . 1 . 2]" 1
84 1 15 ASP H 1 17 GLU QG . . 5.110 5.235 4.736 5.674 0.564 15 2 "[ . 1 - + 2]" 1
85 1 15 ASP H 1 18 LEU HG . . 4.820 4.622 4.287 4.924 0.104 5 0 "[ . 1 . 2]" 1
86 1 12 VAL HB 1 15 ASP H . . 4.490 3.692 2.573 4.321 . 0 0 "[ . 1 . 2]" 1
87 1 15 ASP H 1 18 LEU QB . . 5.500 5.803 5.681 5.849 0.349 17 0 "[ . 1 . 2]" 1
88 1 15 ASP H 1 16 LYS QG . . 4.680 4.024 3.611 4.367 . 0 0 "[ . 1 . 2]" 1
89 1 14 THR MG 1 15 ASP H . . 3.400 3.302 3.005 3.552 0.152 10 0 "[ . 1 . 2]" 1
90 1 15 ASP H 1 18 LEU MD2 . . 4.480 3.919 3.759 4.080 . 0 0 "[ . 1 . 2]" 1
91 1 16 LYS H 1 18 LEU H . . 4.820 4.328 4.149 4.611 . 0 0 "[ . 1 . 2]" 1
92 1 13 GLY QA 1 16 LYS H . . 4.990 4.443 4.073 4.936 . 0 0 "[ . 1 . 2]" 1
93 1 15 ASP HB3 1 16 LYS H . . 3.760 2.951 2.298 3.669 . 0 0 "[ . 1 . 2]" 1
94 1 16 LYS H 1 16 LYS QE . . 5.250 4.521 3.998 5.007 . 0 0 "[ . 1 . 2]" 1
95 1 16 LYS H 1 17 GLU QG . . 4.700 4.308 3.949 4.736 0.036 12 0 "[ . 1 . 2]" 1
96 1 16 LYS H 1 16 LYS QG . . 3.420 2.074 1.802 2.316 . 0 0 "[ . 1 . 2]" 1
97 1 16 LYS H 1 16 LYS HB3 . . 2.830 2.717 2.599 2.833 0.003 12 0 "[ . 1 . 2]" 1
98 1 12 VAL HB 1 16 LYS H . . 5.110 5.249 3.699 6.104 0.994 17 10 "[ ***.* 1* *.-+* *]" 1
99 1 16 LYS H 1 16 LYS HD2 . . 5.050 4.338 3.859 4.853 . 0 0 "[ . 1 . 2]" 1
100 1 16 LYS H 1 18 LEU MD2 . . 5.040 4.976 4.788 5.154 0.114 11 0 "[ . 1 . 2]" 1
101 1 14 THR MG 1 16 LYS H . . 4.910 5.095 5.023 5.170 0.260 20 0 "[ . 1 . 2]" 1
102 1 17 GLU H 1 18 LEU H . . 3.010 2.695 2.486 2.849 . 0 0 "[ . 1 . 2]" 1
103 1 15 ASP HA 1 17 GLU H . . 4.540 4.422 4.073 4.630 0.090 6 0 "[ . 1 . 2]" 1
104 1 14 THR HA 1 17 GLU H . . 3.990 3.690 3.238 4.170 0.180 3 0 "[ . 1 . 2]" 1
105 1 17 GLU H 1 19 SER HB2 . . 5.500 5.542 4.468 5.862 0.362 10 0 "[ . 1 . 2]" 1
106 1 17 GLU H 1 19 SER HB3 . . 5.500 5.031 4.745 6.220 0.720 5 1 "[ + 1 . 2]" 1
107 1 15 ASP HB2 1 17 GLU H . . 5.500 5.350 4.860 5.784 0.284 7 0 "[ . 1 . 2]" 1
108 1 15 ASP HB3 1 17 GLU H . . 5.500 5.144 4.687 5.659 0.159 15 0 "[ . 1 . 2]" 1
109 1 17 GLU H 1 20 ASP QB . . 5.500 4.956 4.488 5.432 . 0 0 "[ . 1 . 2]" 1
110 1 17 GLU H 1 17 GLU QB . . 2.750 2.394 2.303 2.555 . 0 0 "[ . 1 . 2]" 1
111 1 17 GLU H 1 17 GLU QG . . 3.220 2.468 2.127 2.751 . 0 0 "[ . 1 . 2]" 1
112 1 16 LYS HB3 1 17 GLU H . . 4.320 4.107 4.003 4.220 . 0 0 "[ . 1 . 2]" 1
113 1 16 LYS HB2 1 17 GLU H . . 4.550 3.868 3.623 4.030 . 0 0 "[ . 1 . 2]" 1
114 1 16 LYS QG 1 17 GLU H . . 3.730 2.362 1.914 2.676 . 0 0 "[ . 1 . 2]" 1
115 1 17 GLU H 1 18 LEU QB . . 5.080 4.941 4.849 5.058 . 0 0 "[ . 1 . 2]" 1
116 1 17 GLU H 1 18 LEU MD2 . . 4.840 4.818 4.522 5.005 0.165 11 0 "[ . 1 . 2]" 1
117 1 17 GLU H 2 61 ILE MD . . 5.500 4.788 4.586 4.909 . 0 0 "[ . 1 . 2]" 1
118 1 17 GLU QG 1 18 LEU H . . 4.050 4.138 3.893 4.371 0.321 1 0 "[ . 1 . 2]" 1
119 1 17 GLU QB 1 18 LEU H . . 3.370 2.515 2.209 2.992 . 0 0 "[ . 1 . 2]" 1
120 1 15 ASP H 1 18 LEU H . . 5.130 4.946 4.831 5.120 . 0 0 "[ . 1 . 2]" 1
121 1 15 ASP H 1 17 GLU H . . 4.380 4.155 3.908 4.396 0.016 15 0 "[ . 1 . 2]" 1
122 1 14 THR HA 1 18 LEU H . . 4.400 4.203 3.991 4.541 0.141 7 0 "[ . 1 . 2]" 1
123 1 18 LEU H 1 19 SER HB2 . . 5.500 4.869 4.447 5.002 . 0 0 "[ . 1 . 2]" 1
124 1 18 LEU H 1 19 SER HB3 . . 5.500 4.833 4.554 5.974 0.474 5 0 "[ . 1 . 2]" 1
125 1 18 LEU H 1 18 LEU HG . . 3.060 2.281 2.081 2.498 . 0 0 "[ . 1 . 2]" 1
126 1 18 LEU H 1 18 LEU QB . . 3.420 2.558 2.405 2.771 . 0 0 "[ . 1 . 2]" 1
127 1 22 LEU HB3 1 23 ASP H . . 3.780 2.473 2.318 2.637 . 0 0 "[ . 1 . 2]" 1
128 1 14 THR MG 1 18 LEU H . . 4.790 4.177 3.857 4.435 . 0 0 "[ . 1 . 2]" 1
129 1 18 LEU H 2 61 ILE MG . . 5.500 5.297 4.633 5.666 0.166 13 0 "[ . 1 . 2]" 1
130 1 19 SER H 1 20 ASP H . . 3.160 2.575 2.493 2.705 . 0 0 "[ . 1 . 2]" 1
131 1 19 SER H 1 21 LEU H . . 4.460 3.918 3.784 4.094 . 0 0 "[ . 1 . 2]" 1
132 1 19 SER H 1 20 ASP HA . . 5.500 5.241 5.177 5.356 . 0 0 "[ . 1 . 2]" 1
133 1 15 ASP HA 1 19 SER H . . 4.600 4.281 4.046 4.430 . 0 0 "[ . 1 . 2]" 1
134 1 19 SER H 1 20 ASP QB . . 4.880 4.431 4.247 4.705 . 0 0 "[ . 1 . 2]" 1
135 1 17 GLU QG 1 19 SER H . . 5.500 5.704 5.463 5.885 0.385 18 0 "[ . 1 . 2]" 1
136 1 17 GLU QB 1 19 SER H . . 4.500 4.545 4.379 4.893 0.393 10 0 "[ . 1 . 2]" 1
137 1 18 LEU QB 1 19 SER H . . 4.030 3.647 3.576 3.703 . 0 0 "[ . 1 . 2]" 1
138 1 18 LEU HG 1 19 SER H . . 3.500 2.618 2.425 2.793 . 0 0 "[ . 1 . 2]" 1
139 1 16 LYS QG 1 19 SER H . . 5.500 5.483 5.174 5.716 0.216 12 0 "[ . 1 . 2]" 1
140 1 18 LEU MD1 1 19 SER H . . 3.580 2.733 2.285 3.003 . 0 0 "[ . 1 . 2]" 1
141 1 18 LEU MD2 1 19 SER H . . 3.990 4.235 4.076 4.361 0.371 11 0 "[ . 1 . 2]" 1
142 1 20 ASP H 1 21 LEU H . . 3.180 2.610 2.486 2.726 . 0 0 "[ . 1 . 2]" 1
143 1 19 SER HB3 1 20 ASP H . . 3.770 2.602 2.364 3.424 . 0 0 "[ . 1 . 2]" 1
144 1 17 GLU HA 1 20 ASP H . . 4.010 3.614 3.065 4.063 0.053 20 0 "[ . 1 . 2]" 1
145 1 18 LEU HG 1 20 ASP H . . 5.000 5.096 4.988 5.220 0.220 7 0 "[ . 1 . 2]" 1
146 1 20 ASP H 1 22 LEU HB3 . . 5.230 5.208 4.892 5.617 0.387 16 0 "[ . 1 . 2]" 1
147 1 18 LEU MD1 1 20 ASP H . . 4.840 4.758 4.440 4.985 0.145 5 0 "[ . 1 . 2]" 1
148 1 21 LEU H 1 24 PHE QB . . 5.350 5.094 4.856 5.317 . 0 0 "[ . 1 . 2]" 1
149 1 22 LEU H 2 61 ILE MD . . 5.270 4.908 4.724 5.260 . 0 0 "[ . 1 . 2]" 1
150 1 21 LEU QB 1 22 LEU H . . 4.180 2.593 2.457 2.900 . 0 0 "[ . 1 . 2]" 1
151 1 23 ASP H 1 24 PHE QD . . 5.000 5.078 4.914 5.173 0.173 9 0 "[ . 1 . 2]" 1
152 1 23 ASP H 1 24 PHE QB . . 5.050 4.825 4.623 4.990 . 0 0 "[ . 1 . 2]" 1
153 1 21 LEU HA 1 24 PHE H . . 4.500 3.544 3.290 3.692 . 0 0 "[ . 1 . 2]" 1
154 1 21 LEU HG 1 24 PHE H . . 5.060 5.234 5.068 6.046 0.986 11 1 "[ . 1+ . 2]" 1
155 1 22 LEU HB3 1 24 PHE H . . 5.160 4.953 4.800 5.107 . 0 0 "[ . 1 . 2]" 1
156 1 24 PHE QB 1 25 SER H . . 4.150 2.609 2.525 2.719 . 0 0 "[ . 1 . 2]" 1
157 1 24 PHE H 1 25 SER H . . 3.780 2.552 2.427 2.700 . 0 0 "[ . 1 . 2]" 1
158 1 25 SER H 1 27 MET H . . 4.760 3.899 3.838 3.963 . 0 0 "[ . 1 . 2]" 1
159 1 25 SER H 1 28 PHE HZ . . 5.040 4.435 4.264 4.742 . 0 0 "[ . 1 . 2]" 1
160 1 25 SER H 1 26 MET QG . . 4.860 4.186 3.953 4.412 . 0 0 "[ . 1 . 2]" 1
161 1 25 SER H 2 64 GLN QB . . 4.920 5.084 5.016 5.128 0.208 1 0 "[ . 1 . 2]" 1
162 1 21 LEU HG 1 25 SER H . . 5.030 4.237 3.968 5.467 0.437 11 0 "[ . 1 . 2]" 1
163 1 21 LEU QB 1 25 SER H . . 5.500 5.205 5.105 5.310 . 0 0 "[ . 1 . 2]" 1
164 1 25 SER H 1 26 MET H . . 3.630 2.728 2.598 2.848 . 0 0 "[ . 1 . 2]" 1
165 1 22 LEU H 1 24 PHE QD . . 5.390 5.482 5.057 5.794 0.404 11 0 "[ . 1 . 2]" 1
166 1 23 ASP HA 1 26 MET H . . 3.890 3.822 3.589 3.993 0.103 13 0 "[ . 1 . 2]" 1
167 1 27 MET H 1 28 PHE QE . . 4.860 5.156 5.046 5.272 0.412 11 0 "[ . 1 . 2]" 1
168 1 25 SER HB2 1 27 MET H . . 5.500 5.519 4.968 5.718 0.218 5 0 "[ . 1 . 2]" 1
169 1 25 SER HB3 1 27 MET H . . 5.500 5.248 4.854 5.746 0.246 19 0 "[ . 1 . 2]" 1
170 1 24 PHE QB 1 27 MET H . . 5.370 4.546 4.412 4.682 . 0 0 "[ . 1 . 2]" 1
171 1 27 MET H 1 28 PHE HB3 . . 5.280 5.672 5.581 5.787 0.507 19 1 "[ . 1 . +2]" 1
172 1 26 MET QG 1 27 MET H . . 4.770 2.713 2.614 2.869 . 0 0 "[ . 1 . 2]" 1
173 1 28 PHE H 1 28 PHE QE . . 4.360 4.228 4.160 4.332 . 0 0 "[ . 1 . 2]" 1
174 1 28 PHE H 1 28 PHE HZ . . 5.500 5.272 5.182 5.389 . 0 0 "[ . 1 . 2]" 1
175 1 28 PHE H 1 29 PRO HD3 . . 5.120 4.849 4.574 5.119 . 0 0 "[ . 1 . 2]" 1
176 1 28 PHE H 1 29 PRO HD2 . . 5.040 5.230 4.940 5.533 0.493 6 0 "[ . 1 . 2]" 1
177 1 24 PHE HA 1 28 PHE H . . 5.500 4.233 4.091 4.565 . 0 0 "[ . 1 . 2]" 1
178 1 28 PHE H 1 29 PRO HA . . 5.500 5.209 5.009 5.321 . 0 0 "[ . 1 . 2]" 1
179 1 27 MET QG 1 28 PHE H . . 4.710 3.500 2.506 3.898 . 0 0 "[ . 1 . 2]" 1
180 1 27 MET HB3 1 28 PHE H . . 4.200 2.709 2.546 3.835 . 0 0 "[ . 1 . 2]" 1
181 1 27 MET HB2 1 28 PHE H . . 4.470 3.963 3.825 4.229 . 0 0 "[ . 1 . 2]" 1
182 1 27 MET ME 1 28 PHE H . . 4.520 3.995 3.745 4.417 . 0 0 "[ . 1 . 2]" 1
183 1 26 MET ME 1 28 PHE H . . 4.920 5.049 4.791 5.217 0.297 12 0 "[ . 1 . 2]" 1
184 1 30 LEU H 1 31 PRO HD2 . . 4.900 4.746 4.630 4.963 0.063 18 0 "[ . 1 . 2]" 1
185 1 29 PRO HD3 1 30 LEU H . . 4.730 4.027 3.763 4.324 . 0 0 "[ . 1 . 2]" 1
186 1 30 LEU H 1 31 PRO HD3 . . 5.170 4.737 4.233 5.136 . 0 0 "[ . 1 . 2]" 1
187 1 30 LEU H 1 30 LEU QB . . 3.610 3.254 2.328 3.346 . 0 0 "[ . 1 . 2]" 1
188 1 30 LEU H 1 30 LEU MD2 . . 4.610 3.162 2.899 3.489 . 0 0 "[ . 1 . 2]" 1
189 1 33 THR H 1 33 THR MG . . 3.560 2.766 2.552 3.111 . 0 0 "[ . 1 . 2]" 1
190 1 31 PRO HB2 1 33 THR H . . 5.500 4.164 2.413 5.768 0.268 2 0 "[ . 1 . 2]" 1
191 1 32 VAL HA 1 33 THR H . . 3.500 2.703 2.104 3.571 0.071 15 0 "[ . 1 . 2]" 1
192 1 33 THR H 1 34 ASN H . . 4.100 3.397 2.226 4.482 0.382 11 0 "[ . 1 . 2]" 1
193 1 33 THR H 1 33 THR HB . . 3.950 3.830 3.620 4.103 0.153 8 0 "[ . 1 . 2]" 1
194 1 33 THR HB 1 34 ASN H . . 4.400 3.986 2.648 4.504 0.104 1 0 "[ . 1 . 2]" 1
195 1 33 THR HA 1 34 ASN H . . 3.300 2.778 2.162 3.578 0.278 6 0 "[ . 1 . 2]" 1
196 1 34 ASN H 1 34 ASN QB . . 3.760 3.075 2.452 3.474 . 0 0 "[ . 1 . 2]" 1
197 1 33 THR MG 1 34 ASN H . . 4.590 4.194 3.547 4.488 . 0 0 "[ . 1 . 2]" 1
198 1 33 THR MG 1 34 ASN HD21 . . 5.500 4.962 3.879 6.048 0.548 19 3 "[ . 1 * . -+2]" 1
199 1 33 THR MG 1 34 ASN HD22 . . 5.500 5.503 4.605 6.116 0.616 12 6 "[ * . 1*+ . -**2]" 1
200 1 35 GLY H 1 36 LYS H . . 4.350 3.253 1.751 4.545 0.195 19 0 "[ . 1 . 2]" 1
201 1 34 ASN QB 1 35 GLY H . . 4.110 3.166 1.859 4.083 . 0 0 "[ . 1 . 2]" 1
202 1 35 GLY QA 1 36 LYS H . . 2.870 2.435 2.137 2.933 0.063 10 0 "[ . 1 . 2]" 1
203 1 34 ASN QB 1 36 LYS H . . 5.040 4.601 2.349 5.957 0.917 8 3 "[ . + 1 .- *2]" 1
204 1 36 LYS H 1 36 LYS HG2 . . 5.500 4.166 2.671 5.006 . 0 0 "[ . 1 . 2]" 1
205 1 36 LYS H 1 36 LYS HG3 . . 5.500 4.028 2.297 4.934 . 0 0 "[ . 1 . 2]" 1
206 1 36 LYS HA 1 37 GLY H . . 3.290 2.692 2.150 3.585 0.295 5 0 "[ . 1 . 2]" 1
207 1 37 GLY H 1 38 ARG H . . 4.490 2.865 2.056 4.034 . 0 0 "[ . 1 . 2]" 1
208 1 36 LYS HB3 1 37 GLY H . . 4.500 3.747 1.873 4.611 0.111 15 0 "[ . 1 . 2]" 1
209 1 36 LYS HB2 1 37 GLY H . . 4.500 3.972 1.911 4.661 0.161 11 0 "[ . 1 . 2]" 1
210 1 36 LYS HG2 1 37 GLY H . . 5.500 4.140 1.727 5.548 0.048 20 0 "[ . 1 . 2]" 1
211 1 36 LYS HG3 1 37 GLY H . . 5.500 4.452 2.926 6.016 0.516 16 1 "[ . 1 .+ 2]" 1
212 1 37 GLY QA 1 38 ARG H . . 2.730 2.544 2.136 2.909 0.179 15 0 "[ . 1 . 2]" 1
213 1 38 ARG H 1 38 ARG HB3 . . 3.970 3.675 2.486 4.172 0.202 7 0 "[ . 1 . 2]" 1
214 1 38 ARG H 1 38 ARG HB2 . . 3.970 3.098 2.490 3.985 0.015 13 0 "[ . 1 . 2]" 1
215 1 38 ARG H 1 38 ARG QG . . 3.830 2.988 2.201 4.227 0.397 14 0 "[ . 1 . 2]" 1
216 1 8 ARG QD 1 9 MET H . . 5.110 3.319 2.162 4.586 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL H 1 13 GLY QA . . 4.610 4.611 4.537 4.752 0.142 8 0 "[ . 1 . 2]" 1
218 1 11 PRO HA 1 13 GLY H . . 4.290 3.570 3.218 3.913 . 0 0 "[ . 1 . 2]" 1
219 1 13 GLY QA 1 17 GLU H . . 4.710 4.426 3.988 5.054 0.344 9 0 "[ . 1 . 2]" 1
220 1 16 LYS QG 1 18 LEU H . . 4.690 4.831 4.342 5.096 0.406 4 0 "[ . 1 . 2]" 1
221 1 23 ASP H 1 26 MET QG . . 4.750 4.359 4.229 4.525 . 0 0 "[ . 1 . 2]" 1
222 1 22 LEU H 1 24 PHE H . . 5.150 4.099 3.959 4.197 . 0 0 "[ . 1 . 2]" 1
223 1 24 PHE H 1 26 MET H . . 5.500 4.071 3.902 4.285 . 0 0 "[ . 1 . 2]" 1
224 1 24 PHE H 1 27 MET HB3 . . 5.440 4.947 4.676 5.112 . 0 0 "[ . 1 . 2]" 1
225 1 26 MET H 1 27 MET HB3 . . 4.480 4.555 4.403 4.764 0.284 10 0 "[ . 1 . 2]" 1
226 1 28 PHE HA 1 30 LEU H . . 5.500 4.997 4.110 5.454 . 0 0 "[ . 1 . 2]" 1
227 1 30 LEU H 2 15 ILE QG . . 3.900 3.124 2.618 3.627 . 0 0 "[ . 1 . 2]" 1
228 1 36 LYS QD 1 37 GLY H . . 5.400 4.815 3.325 6.077 0.677 8 1 "[ . + 1 . 2]" 1
229 1 37 GLY H 1 38 ARG QG . . 5.500 4.453 2.413 6.023 0.523 12 1 "[ . 1 + . 2]" 1
230 1 36 LYS HA 1 38 ARG H . . 5.500 4.580 3.422 6.045 0.545 20 1 "[ . 1 . +]" 1
231 1 38 ARG H 1 39 PRO HA . . 5.500 5.171 4.355 5.696 0.196 9 0 "[ . 1 . 2]" 1
232 1 15 ASP HA 1 18 LEU H . . 4.080 3.843 3.525 4.161 0.081 17 0 "[ . 1 . 2]" 1
233 1 24 PHE HA 1 26 MET H . . 5.280 4.236 4.140 4.432 . 0 0 "[ . 1 . 2]" 1
234 1 24 PHE HA 1 24 PHE QE . . 4.830 4.421 4.306 4.500 . 0 0 "[ . 1 . 2]" 1
235 1 24 PHE HA 1 28 PHE QD . . 5.230 4.206 4.006 4.477 . 0 0 "[ . 1 . 2]" 1
236 1 27 MET HA 1 27 MET QG . . 3.770 2.648 2.531 3.347 . 0 0 "[ . 1 . 2]" 1
237 1 26 MET HA 1 28 PHE H . . 4.610 4.309 4.082 4.484 . 0 0 "[ . 1 . 2]" 1
238 1 27 MET H 1 27 MET ME . . 4.250 4.144 3.955 4.779 0.529 18 1 "[ . 1 . + 2]" 1
239 1 27 MET ME 1 27 MET QG . . 3.230 2.463 2.217 2.614 . 0 0 "[ . 1 . 2]" 1
240 1 24 PHE HA 1 27 MET ME . . 4.100 2.139 1.948 2.846 . 0 0 "[ . 1 . 2]" 1
241 1 26 MET ME 1 26 MET QG . . 3.030 2.312 2.261 2.386 . 0 0 "[ . 1 . 2]" 1
242 1 26 MET HB2 1 27 MET H . . 5.400 4.188 4.010 4.323 . 0 0 "[ . 1 . 2]" 1
243 1 26 MET HB3 1 27 MET H . . 5.400 4.292 4.129 4.503 . 0 0 "[ . 1 . 2]" 1
244 1 26 MET HA 1 26 MET ME . . 4.240 4.584 3.986 5.064 0.824 5 11 "[ * +* -*1*** *** 2]" 1
245 1 26 MET H 1 26 MET ME . . 4.120 4.023 3.883 4.179 0.059 11 0 "[ . 1 . 2]" 1
246 1 24 PHE QD 1 26 MET ME . . 5.220 5.067 4.568 6.050 0.830 10 1 "[ . + . 2]" 1
247 1 27 MET ME 1 28 PHE HB2 . . 5.100 5.157 4.822 5.806 0.706 20 2 "[ . 1 -. +]" 1
248 1 26 MET HA 1 26 MET QG . . 3.880 3.480 3.398 3.546 . 0 0 "[ . 1 . 2]" 1
249 1 26 MET ME 1 27 MET HA . . 3.870 2.848 2.569 3.174 . 0 0 "[ . 1 . 2]" 1
250 1 23 ASP H 1 26 MET ME . . 5.070 5.346 4.893 5.793 0.723 14 8 "[ * -. * * +. ***]" 1
251 1 18 LEU HG 2 61 ILE MD . . 5.410 5.088 4.120 5.457 0.047 17 0 "[ . 1 . 2]" 1
252 1 17 GLU HA 2 61 ILE MD . . 5.290 3.561 3.220 4.124 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLU HA 2 61 ILE QG . . 4.300 3.539 2.831 4.824 0.524 9 1 "[ . +1 . 2]" 1
254 1 17 GLU QB 2 61 ILE QG . . 3.900 2.091 1.793 2.526 . 0 0 "[ . 1 . 2]" 1
255 1 21 LEU QD 2 61 ILE MD . . 2.800 1.929 1.780 2.071 . 0 0 "[ . 1 . 2]" 1
256 1 4 ASN HA 1 5 GLN QG . . 5.000 4.158 3.419 5.137 0.137 4 0 "[ . 1 . 2]" 1
257 1 5 GLN HA 1 5 GLN QG . . 3.530 3.226 2.470 3.565 0.035 7 0 "[ . 1 . 2]" 1
258 1 5 GLN HA 1 6 PRO QG . . 4.200 4.014 3.852 4.220 0.020 4 0 "[ . 1 . 2]" 1
259 1 5 GLN HA 1 6 PRO HD2 . . 2.760 2.657 2.223 3.145 0.385 2 0 "[ . 1 . 2]" 1
260 1 5 GLN HA 1 6 PRO HD3 . . 2.760 2.288 1.986 2.906 0.146 4 0 "[ . 1 . 2]" 1
261 1 5 GLN HB2 1 6 PRO HD3 . . 4.550 3.934 3.034 5.044 0.494 20 0 "[ . 1 . 2]" 1
262 1 5 GLN HB2 1 6 PRO HD2 . . 4.550 3.020 1.941 4.652 0.102 20 0 "[ . 1 . 2]" 1
263 1 5 GLN HB3 1 6 PRO HD2 . . 4.550 3.521 2.407 4.225 . 0 0 "[ . 1 . 2]" 1
264 1 5 GLN HB3 1 6 PRO HD3 . . 4.550 4.215 3.416 4.867 0.317 4 0 "[ . 1 . 2]" 1
265 1 11 PRO HB2 1 12 VAL H . . 4.230 4.041 3.334 4.405 0.175 12 0 "[ . 1 . 2]" 1
266 1 31 PRO HB2 1 33 THR MG . . 4.240 3.510 2.050 4.998 0.758 16 1 "[ . 1 .+ 2]" 1
267 1 31 PRO QG 1 33 THR MG . . 4.040 2.731 1.836 4.649 0.609 4 1 "[ +. 1 . 2]" 1
268 1 7 GLN HA 1 8 ARG QD . . 5.500 5.699 3.913 6.226 0.726 7 9 "[*** . +- * * **2]" 1
269 1 7 GLN HA 1 7 GLN QG . . 3.430 2.740 2.454 3.409 . 0 0 "[ . 1 . 2]" 1
270 1 7 GLN H 1 7 GLN HB3 . . 3.750 3.612 2.646 4.162 0.412 15 0 "[ . 1 . 2]" 1
271 1 8 ARG HA 1 8 ARG QD . . 3.880 2.948 1.974 3.892 0.012 5 0 "[ . 1 . 2]" 1
272 1 8 ARG HA 1 8 ARG HG3 . . 3.920 3.477 2.558 4.330 0.410 5 0 "[ . 1 . 2]" 1
273 1 8 ARG HB3 1 8 ARG QD . . 3.320 2.824 2.247 3.528 0.208 19 0 "[ . 1 . 2]" 1
274 1 8 ARG HB2 1 8 ARG QD . . 3.320 3.022 2.404 3.570 0.250 5 0 "[ . 1 . 2]" 1
275 1 38 ARG HB2 1 38 ARG QD . . 3.490 2.657 2.329 3.362 . 0 0 "[ . 1 . 2]" 1
276 1 8 ARG HA 1 8 ARG HG2 . . 3.920 3.203 2.476 3.825 . 0 0 "[ . 1 . 2]" 1
277 1 23 ASP HA 1 24 PHE QD . . 5.500 5.334 4.903 5.992 0.492 10 0 "[ . 1 . 2]" 1
278 1 8 ARG QD 1 9 MET HA . . 5.500 4.692 3.264 6.296 0.796 13 1 "[ . 1 + . 2]" 1
279 1 23 ASP HA 1 26 MET QG . . 3.630 2.335 2.135 2.480 . 0 0 "[ . 1 . 2]" 1
280 1 23 ASP HA 1 26 MET ME . . 3.450 3.009 2.561 3.482 0.032 14 0 "[ . 1 . 2]" 1
281 1 10 ALA HA 1 11 PRO QG . . 4.240 4.009 3.718 4.168 . 0 0 "[ . 1 . 2]" 1
282 1 10 ALA HA 1 11 PRO HB3 . . 5.420 4.966 4.622 5.570 0.150 16 0 "[ . 1 . 2]" 1
283 1 10 ALA HA 1 11 PRO HD2 . . 2.670 2.618 2.389 2.888 0.218 15 0 "[ . 1 . 2]" 1
284 1 10 ALA HA 1 11 PRO HD3 . . 2.670 2.197 1.854 2.457 . 0 0 "[ . 1 . 2]" 1
285 1 10 ALA MB 1 12 VAL H . . 3.290 2.704 2.519 3.027 . 0 0 "[ . 1 . 2]" 1
286 1 9 MET HA 1 10 ALA MB . . 3.880 4.017 3.812 4.143 0.263 13 0 "[ . 1 . 2]" 1
287 1 10 ALA MB 1 11 PRO QG . . 3.570 4.098 3.713 4.455 0.885 16 11 "[*- *. ***1* *+* *2]" 1
288 1 10 ALA MB 1 12 VAL MG1 . . 4.140 2.634 1.935 4.482 0.342 8 0 "[ . 1 . 2]" 1
289 1 10 ALA MB 1 12 VAL MG2 . . 4.140 2.102 1.901 2.636 . 0 0 "[ . 1 . 2]" 1
290 1 31 PRO HA 1 32 VAL H . . 2.700 2.416 2.206 2.762 0.062 16 0 "[ . 1 . 2]" 1
291 1 11 PRO HD3 1 12 VAL H . . 4.450 4.122 3.893 4.481 0.031 12 0 "[ . 1 . 2]" 1
292 1 10 ALA MB 1 11 PRO HA . . 4.560 4.562 4.469 4.677 0.117 16 0 "[ . 1 . 2]" 1
293 1 30 LEU QB 1 31 PRO HD2 . . 3.670 2.159 1.927 2.451 . 0 0 "[ . 1 . 2]" 1
294 1 30 LEU QB 1 31 PRO HD3 . . 3.750 3.545 3.394 3.669 . 0 0 "[ . 1 . 2]" 1
295 1 10 ALA MB 1 11 PRO HD3 . . 3.210 3.404 3.134 3.600 0.390 9 0 "[ . 1 . 2]" 1
296 1 10 ALA MB 1 11 PRO HD2 . . 3.210 2.564 2.202 2.915 . 0 0 "[ . 1 . 2]" 1
297 1 30 LEU HG 1 31 PRO HD2 . . 4.660 4.408 4.165 4.699 0.039 5 0 "[ . 1 . 2]" 1
298 1 30 LEU MD1 1 31 PRO HD2 . . 3.990 3.668 3.399 3.981 . 0 0 "[ . 1 . 2]" 1
299 1 29 PRO HD3 2 15 ILE MG . . 5.200 4.832 4.492 5.216 0.016 10 0 "[ . 1 . 2]" 1
300 1 27 MET QG 1 28 PHE QD . . 4.980 3.184 2.553 3.408 . 0 0 "[ . 1 . 2]" 1
301 1 6 PRO QB 1 7 GLN HA . . 4.480 4.585 4.245 4.813 0.333 5 0 "[ . 1 . 2]" 1
302 1 12 VAL HA 1 12 VAL MG2 . . 3.210 3.180 2.430 3.275 0.065 19 0 "[ . 1 . 2]" 1
303 1 12 VAL H 1 12 VAL MG2 . . 3.190 2.016 1.867 2.182 . 0 0 "[ . 1 . 2]" 1
304 1 12 VAL MG2 1 13 GLY H . . 4.390 2.556 2.165 3.926 . 0 0 "[ . 1 . 2]" 1
305 1 12 VAL HA 1 12 VAL MG1 . . 3.210 2.381 2.304 2.500 . 0 0 "[ . 1 . 2]" 1
306 1 13 GLY QA 1 16 LYS HB3 . . 5.500 5.221 4.715 5.737 0.237 19 0 "[ . 1 . 2]" 1
307 1 13 GLY QA 1 16 LYS HB2 . . 5.500 5.511 4.947 6.011 0.511 9 1 "[ . +1 . 2]" 1
308 1 13 GLY QA 1 16 LYS HD2 . . 5.360 3.477 1.955 4.978 . 0 0 "[ . 1 . 2]" 1
309 1 13 GLY QA 1 16 LYS HD3 . . 5.360 4.198 3.320 4.693 . 0 0 "[ . 1 . 2]" 1
310 1 12 VAL HB 1 13 GLY QA . . 5.080 4.670 4.353 4.852 . 0 0 "[ . 1 . 2]" 1
311 1 13 GLY QA 1 17 GLU QB . . 5.500 4.738 4.290 5.358 . 0 0 "[ . 1 . 2]" 1
312 1 13 GLY QA 1 17 GLU QG . . 4.590 3.278 2.606 4.037 . 0 0 "[ . 1 . 2]" 1
313 1 14 THR HA 1 16 LYS H . . 4.750 4.624 4.285 5.035 0.285 3 0 "[ . 1 . 2]" 1
314 1 14 THR HB 1 16 LYS H . . 4.990 4.977 4.776 5.140 0.150 10 0 "[ . 1 . 2]" 1
315 1 14 THR MG 1 17 GLU H . . 4.560 4.815 4.499 5.099 0.539 3 1 "[ + . 1 . 2]" 1
316 1 14 THR H 1 14 THR MG . . 4.010 3.882 3.762 4.041 0.031 9 0 "[ . 1 . 2]" 1
317 1 13 GLY QA 1 14 THR HA . . 4.260 4.008 3.942 4.084 . 0 0 "[ . 1 . 2]" 1
318 1 14 THR HA 1 17 GLU QG . . 4.810 3.214 2.243 3.659 . 0 0 "[ . 1 . 2]" 1
319 1 14 THR HA 1 17 GLU QB . . 4.020 2.728 2.342 3.241 . 0 0 "[ . 1 . 2]" 1
320 1 14 THR HA 1 14 THR MG . . 2.750 2.437 2.387 2.473 . 0 0 "[ . 1 . 2]" 1
321 1 14 THR HA 1 18 LEU MD2 . . 4.700 4.163 3.579 4.780 0.080 1 0 "[ . 1 . 2]" 1
322 1 14 THR HB 1 18 LEU MD2 . . 4.630 4.032 3.525 4.440 . 0 0 "[ . 1 . 2]" 1
323 1 14 THR HB 1 16 LYS QG . . 5.360 5.567 5.057 5.959 0.599 18 4 "[ .- 1 *. + *]" 1
324 1 12 VAL HB 1 14 THR HB . . 4.460 4.098 3.394 5.084 0.624 1 1 "[+ . 1 . 2]" 1
325 1 14 THR HB 1 17 GLU QG . . 5.500 5.693 4.932 6.121 0.621 11 4 "[ . *+- * 2]" 1
326 1 14 THR MG 1 17 GLU QB . . 4.260 3.874 3.341 4.487 0.227 3 0 "[ . 1 . 2]" 1
327 1 14 THR MG 1 18 LEU HG . . 4.140 3.959 3.377 4.589 0.449 5 0 "[ . 1 . 2]" 1
328 1 14 THR MG 1 18 LEU MD2 . . 3.460 2.134 1.766 2.721 . 0 0 "[ . 1 . 2]" 1
329 1 15 ASP HA 1 18 LEU MD2 . . 3.820 2.256 1.978 2.483 . 0 0 "[ . 1 . 2]" 1
330 1 15 ASP HA 1 18 LEU QB . . 4.310 4.282 3.907 4.511 0.201 4 0 "[ . 1 . 2]" 1
331 1 15 ASP HA 1 16 LYS QG . . 5.120 5.203 4.937 5.436 0.316 18 0 "[ . 1 . 2]" 1
332 1 15 ASP HA 1 18 LEU HG . . 3.950 2.396 2.128 2.704 . 0 0 "[ . 1 . 2]" 1
333 1 15 ASP HA 1 16 LYS HA . . 4.840 4.772 4.674 4.893 0.053 16 0 "[ . 1 . 2]" 1
334 1 15 ASP HB2 1 16 LYS H . . 3.760 3.209 2.609 3.928 0.168 7 0 "[ . 1 . 2]" 1
335 1 20 ASP QB 1 24 PHE QD . . 5.410 3.610 3.268 4.044 . 0 0 "[ . 1 . 2]" 1
336 1 23 ASP HB2 1 24 PHE QD . . 5.500 5.015 3.299 6.025 0.525 10 1 "[ . + . 2]" 1
337 1 23 ASP HB3 1 24 PHE QD . . 5.500 3.880 3.456 4.609 . 0 0 "[ . 1 . 2]" 1
338 1 20 ASP QB 1 21 LEU HA . . 4.860 3.985 3.817 4.211 . 0 0 "[ . 1 . 2]" 1
339 1 17 GLU HA 1 20 ASP QB . . 3.990 2.782 2.128 3.335 . 0 0 "[ . 1 . 2]" 1
340 1 20 ASP QB 1 21 LEU QB . . 5.080 4.022 3.662 4.209 . 0 0 "[ . 1 . 2]" 1
341 1 15 ASP HB2 1 16 LYS QG . . 4.940 4.743 4.031 5.274 0.334 7 0 "[ . 1 . 2]" 1
342 1 15 ASP HB3 1 16 LYS QG . . 4.940 4.575 3.813 5.378 0.438 5 0 "[ . 1 . 2]" 1
343 1 23 ASP HB2 1 26 MET ME . . 4.620 4.482 3.883 5.067 0.447 7 0 "[ . 1 . 2]" 1
344 1 16 LYS HA 1 19 SER H . . 4.510 3.573 3.258 3.870 . 0 0 "[ . 1 . 2]" 1
345 1 17 GLU HA 1 19 SER H . . 5.040 4.376 4.230 4.601 . 0 0 "[ . 1 . 2]" 1
346 1 16 LYS HA 1 19 SER HB2 . . 4.420 3.301 2.241 3.933 . 0 0 "[ . 1 . 2]" 1
347 1 16 LYS HA 1 19 SER HB3 . . 4.420 2.655 2.291 3.660 . 0 0 "[ . 1 . 2]" 1
348 1 16 LYS HA 1 16 LYS QE . . 5.500 5.030 3.995 5.782 0.282 9 0 "[ . 1 . 2]" 1
349 1 16 LYS QE 1 17 GLU HA . . 5.500 4.578 3.723 6.194 0.694 17 3 "[ * . - . + 2]" 1
350 1 17 GLU HA 1 17 GLU QG . . 3.290 2.688 2.342 3.037 . 0 0 "[ . 1 . 2]" 1
351 1 16 LYS QE 1 16 LYS QG . . 2.880 2.444 2.190 2.845 . 0 0 "[ . 1 . 2]" 1
352 1 36 LYS QE 1 36 LYS HG2 . . 3.330 2.840 2.445 3.466 0.136 15 0 "[ . 1 . 2]" 1
353 1 36 LYS QE 1 36 LYS HG3 . . 3.330 2.713 2.358 3.559 0.229 18 0 "[ . 1 . 2]" 1
354 1 16 LYS HB3 1 16 LYS QE . . 4.810 3.825 2.316 4.631 . 0 0 "[ . 1 . 2]" 1
355 1 16 LYS HB2 1 16 LYS QE . . 5.050 3.289 1.832 4.184 . 0 0 "[ . 1 . 2]" 1
356 1 16 LYS H 1 16 LYS HD3 . . 5.050 4.410 3.552 4.887 . 0 0 "[ . 1 . 2]" 1
357 1 36 LYS H 1 36 LYS QD . . 5.500 4.609 2.462 5.585 0.085 5 0 "[ . 1 . 2]" 1
358 1 36 LYS QD 1 37 GLY QA . . 5.410 5.364 3.076 6.117 0.707 15 6 "[ - *.* 1 * + * 2]" 1
359 1 36 LYS HA 1 36 LYS HG3 . . 4.120 3.027 2.511 3.853 . 0 0 "[ . 1 . 2]" 1
360 1 16 LYS HA 1 16 LYS QG . . 3.400 3.463 3.381 3.524 0.124 4 0 "[ . 1 . 2]" 1
361 1 12 VAL HB 1 16 LYS QG . . 5.500 5.320 4.373 6.117 0.617 6 5 "[ .+ 1 -. ** *]" 1
362 1 16 LYS QG 1 17 GLU QB . . 4.980 4.049 3.520 4.436 . 0 0 "[ . 1 . 2]" 1
363 1 16 LYS QG 1 17 GLU QG . . 4.650 2.869 1.824 3.724 . 0 0 "[ . 1 . 2]" 1
364 1 17 GLU QG 2 61 ILE QG . . 4.240 3.515 2.657 4.352 0.112 9 0 "[ . 1 . 2]" 1
365 1 14 THR MG 1 17 GLU QG . . 4.850 4.750 3.818 5.106 0.256 8 0 "[ . 1 . 2]" 1
366 1 17 GLU QB 1 18 LEU HG . . 5.340 4.411 4.113 4.687 . 0 0 "[ . 1 . 2]" 1
367 1 21 LEU HA 1 24 PHE QB . . 4.750 2.802 2.472 3.015 . 0 0 "[ . 1 . 2]" 1
368 1 18 LEU HA 1 20 ASP QB . . 5.500 4.928 4.652 5.296 . 0 0 "[ . 1 . 2]" 1
369 1 17 GLU QB 1 18 LEU QB . . 4.000 3.816 3.579 4.238 0.238 10 0 "[ . 1 . 2]" 1
370 1 30 LEU QB 1 31 PRO QG . . 5.080 3.502 3.127 3.988 . 0 0 "[ . 1 . 2]" 1
371 1 30 LEU QB 2 15 ILE MD . . 5.500 4.890 4.575 5.189 . 0 0 "[ . 1 . 2]" 1
372 1 18 LEU QB 2 61 ILE MD . . 4.220 3.393 2.227 3.962 . 0 0 "[ . 1 . 2]" 1
373 1 21 LEU QB 2 61 ILE MG . . 3.280 2.511 2.240 2.855 . 0 0 "[ . 1 . 2]" 1
374 1 17 GLU H 1 18 LEU HG . . 4.520 4.207 3.920 4.486 . 0 0 "[ . 1 . 2]" 1
375 1 18 LEU HA 1 18 LEU HG . . 3.750 3.781 3.755 3.808 0.058 18 0 "[ . 1 . 2]" 1
376 1 15 ASP HB2 1 18 LEU HG . . 5.250 5.011 4.599 5.386 0.136 17 0 "[ . 1 . 2]" 1
377 1 15 ASP HB3 1 18 LEU HG . . 5.250 4.765 4.244 5.289 0.039 6 0 "[ . 1 . 2]" 1
378 1 18 LEU H 1 18 LEU MD2 . . 3.640 3.271 3.076 3.517 . 0 0 "[ . 1 . 2]" 1
379 1 18 LEU QB 1 18 LEU MD2 . . 3.160 2.136 2.117 2.151 . 0 0 "[ . 1 . 2]" 1
380 1 18 LEU H 1 18 LEU MD1 . . 3.960 3.692 3.394 3.914 . 0 0 "[ . 1 . 2]" 1
381 1 19 SER H 1 19 SER HB3 . . 3.400 2.580 2.442 3.520 0.120 5 0 "[ . 1 . 2]" 1
382 1 19 SER HA 1 22 LEU H . . 4.860 3.581 3.401 3.732 . 0 0 "[ . 1 . 2]" 1
383 1 19 SER HA 1 21 LEU H . . 4.640 4.507 4.219 4.725 0.085 3 0 "[ . 1 . 2]" 1
384 1 19 SER HA 1 22 LEU HB2 . . 3.770 3.471 2.956 3.874 0.104 6 0 "[ . 1 . 2]" 1
385 1 19 SER HA 1 22 LEU HB3 . . 4.070 3.096 2.671 3.423 . 0 0 "[ . 1 . 2]" 1
386 1 19 SER HB2 1 20 ASP H . . 3.770 3.778 2.641 3.973 0.203 16 0 "[ . 1 . 2]" 1
387 1 18 LEU MD1 1 19 SER HB3 . . 4.030 4.246 3.855 4.594 0.564 7 3 "[ -* + 1 . 2]" 1
388 1 18 LEU MD1 1 19 SER HB2 . . 4.030 3.199 2.762 4.178 0.148 5 0 "[ . 1 . 2]" 1
389 1 20 ASP HA 1 22 LEU HB3 . . 5.270 4.980 4.590 5.315 0.045 16 0 "[ . 1 . 2]" 1
390 1 19 SER HA 1 20 ASP HA . . 5.300 4.847 4.765 4.917 . 0 0 "[ . 1 . 2]" 1
391 1 20 ASP HA 1 21 LEU HA . . 5.500 4.935 4.863 5.017 . 0 0 "[ . 1 . 2]" 1
392 1 20 ASP HA 1 23 ASP H . . 4.560 3.428 3.081 3.858 . 0 0 "[ . 1 . 2]" 1
393 1 18 LEU HA 1 22 LEU H . . 4.590 4.030 3.743 4.189 . 0 0 "[ . 1 . 2]" 1
394 1 21 LEU QB 2 61 ILE MD . . 4.400 1.833 1.724 2.310 . 0 0 "[ . 1 . 2]" 1
395 1 18 LEU HA 1 21 LEU QB . . 4.100 2.104 1.924 2.352 . 0 0 "[ . 1 . 2]" 1
396 1 21 LEU QD 1 24 PHE QD . . 4.120 4.187 3.572 4.834 0.714 11 1 "[ . 1+ . 2]" 1
397 1 21 LEU QD 2 64 GLN H . . 4.020 3.725 3.541 4.609 0.589 11 1 "[ . 1+ . 2]" 1
398 1 21 LEU QD 2 64 GLN QE . . 4.210 2.873 2.396 4.254 0.044 9 0 "[ . 1 . 2]" 1
399 1 21 LEU QD 1 24 PHE QB . . 3.820 4.113 3.573 4.471 0.651 5 2 "[ + - 1 . 2]" 1
400 1 21 LEU QD 2 63 LYS QE . . 3.740 3.569 3.121 3.961 0.221 9 0 "[ . 1 . 2]" 1
401 1 21 LEU QD 2 64 GLN HG2 . . 6.150 2.672 2.101 3.422 . 0 0 "[ . 1 . 2]" 1
402 1 22 LEU QD 1 26 MET QG . . 3.370 3.007 2.186 3.487 0.117 19 0 "[ . 1 . 2]" 1
403 1 21 LEU QD 2 60 PRO HB2 . . 3.390 2.145 1.794 2.424 . 0 0 "[ . 1 . 2]" 1
404 1 18 LEU QB 1 18 LEU MD1 . . 2.650 2.299 2.271 2.334 . 0 0 "[ . 1 . 2]" 1
405 1 21 LEU QD 2 60 PRO HB3 . . 3.580 3.503 3.202 3.716 0.136 18 0 "[ . 1 . 2]" 1
406 1 21 LEU QD 2 61 ILE HA . . 3.260 2.050 1.853 3.215 . 0 0 "[ . 1 . 2]" 1
407 1 18 LEU MD1 1 19 SER HA . . 2.760 2.841 2.603 3.060 0.300 16 0 "[ . 1 . 2]" 1
408 1 21 LEU HG 2 61 ILE MD . . 4.560 3.974 3.154 4.124 . 0 0 "[ . 1 . 2]" 1
409 1 21 LEU HG 1 22 LEU H . . 5.010 4.106 3.564 4.941 . 0 0 "[ . 1 . 2]" 1
410 1 24 PHE HA 1 27 MET QG . . 4.810 4.013 2.133 4.272 . 0 0 "[ . 1 . 2]" 1
411 1 24 PHE QB 1 25 SER HA . . 5.500 3.933 3.799 4.056 . 0 0 "[ . 1 . 2]" 1
412 1 21 LEU QB 1 24 PHE QB . . 5.150 4.657 4.317 4.860 . 0 0 "[ . 1 . 2]" 1
413 1 21 LEU HG 1 24 PHE QB . . 4.990 4.252 3.756 4.609 . 0 0 "[ . 1 . 2]" 1
414 1 24 PHE QB 1 27 MET HB3 . . 5.170 3.868 3.532 4.675 . 0 0 "[ . 1 . 2]" 1
415 1 22 LEU HG 1 26 MET QG . . 5.020 4.600 3.164 5.733 0.713 16 7 "[ * -* * 1 * *+ 2]" 1
416 1 22 LEU HB3 1 26 MET QG . . 5.500 5.101 4.733 5.411 . 0 0 "[ . 1 . 2]" 1
417 1 23 ASP HB3 1 26 MET ME . . 4.620 4.465 3.098 5.088 0.468 18 0 "[ . 1 . 2]" 1
418 1 24 PHE QD 1 27 MET QG . . 5.020 4.589 3.467 5.007 . 0 0 "[ . 1 . 2]" 1
419 1 11 PRO HB2 1 12 VAL HA . . 4.670 4.658 4.206 4.969 0.299 12 0 "[ . 1 . 2]" 1
420 1 27 MET HB2 1 28 PHE QD . . 5.120 4.786 4.211 5.245 0.125 18 0 "[ . 1 . 2]" 1
421 1 24 PHE QD 1 27 MET ME . . 3.500 2.284 1.887 2.804 . 0 0 "[ . 1 . 2]" 1
422 1 27 MET ME 2 22 LEU H . . 5.200 4.878 4.508 5.407 0.207 9 0 "[ . 1 . 2]" 1
423 1 24 PHE H 1 27 MET ME . . 4.960 4.565 4.351 4.958 . 0 0 "[ . 1 . 2]" 1
424 1 27 MET ME 2 18 ALA H . . 5.360 4.731 4.224 5.805 0.445 14 0 "[ . 1 . 2]" 1
425 1 26 MET H 1 27 MET ME . . 5.500 5.632 5.447 6.153 0.653 18 2 "[ . - . + 2]" 1
426 1 27 MET ME 2 18 ALA HA . . 4.090 2.705 2.356 3.624 . 0 0 "[ . 1 . 2]" 1
427 1 24 PHE QB 1 27 MET ME . . 4.050 2.690 2.371 3.345 . 0 0 "[ . 1 . 2]" 1
428 1 28 PHE HA 1 29 PRO QG . . 4.580 3.882 3.634 4.143 . 0 0 "[ . 1 . 2]" 1
429 1 28 PHE HB3 2 15 ILE QG . . 5.500 3.449 3.071 4.034 . 0 0 "[ . 1 . 2]" 1
430 1 28 PHE HB2 2 15 ILE QG . . 5.200 2.413 2.163 2.892 . 0 0 "[ . 1 . 2]" 1
431 1 27 MET HB2 1 28 PHE HB3 . . 5.500 5.798 5.591 5.968 0.468 19 0 "[ . 1 . 2]" 1
432 1 28 PHE HB3 1 30 LEU HG . . 5.500 4.508 4.137 4.690 . 0 0 "[ . 1 . 2]" 1
433 1 28 PHE HB3 2 15 ILE HB . . 5.500 4.913 4.534 5.349 . 0 0 "[ . 1 . 2]" 1
434 1 28 PHE HB2 1 30 LEU HG . . 5.400 2.946 2.660 3.151 . 0 0 "[ . 1 . 2]" 1
435 1 28 PHE HB2 2 15 ILE HB . . 5.500 4.035 3.664 4.433 . 0 0 "[ . 1 . 2]" 1
436 1 28 PHE HB2 1 29 PRO QG . . 5.160 4.253 3.779 4.741 . 0 0 "[ . 1 . 2]" 1
437 1 27 MET ME 1 28 PHE HB3 . . 4.850 3.862 3.480 4.712 . 0 0 "[ . 1 . 2]" 1
438 1 30 LEU H 1 30 LEU HG . . 4.500 3.128 2.627 3.272 . 0 0 "[ . 1 . 2]" 1
439 1 29 PRO QG 2 15 ILE H . . 5.170 3.580 3.223 4.125 . 0 0 "[ . 1 . 2]" 1
440 1 28 PHE QD 1 29 PRO HD3 . . 4.970 4.876 4.591 5.151 0.181 16 0 "[ . 1 . 2]" 1
441 1 29 PRO HD2 2 15 ILE QG . . 4.260 2.675 2.337 3.003 . 0 0 "[ . 1 . 2]" 1
442 1 29 PRO HD2 2 15 ILE MD . . 5.050 4.279 3.963 4.607 . 0 0 "[ . 1 . 2]" 1
443 1 30 LEU H 1 30 LEU MD1 . . 4.610 4.508 3.843 4.611 0.001 9 0 "[ . 1 . 2]" 1
444 1 30 LEU HA 1 31 PRO HD3 . . 3.210 2.639 2.324 2.881 . 0 0 "[ . 1 . 2]" 1
445 1 30 LEU HA 1 31 PRO HD2 . . 3.210 2.534 2.410 2.703 . 0 0 "[ . 1 . 2]" 1
446 1 30 LEU HA 1 31 PRO QG . . 4.240 4.212 4.087 4.375 0.135 16 0 "[ . 1 . 2]" 1
447 1 29 PRO QG 1 30 LEU HA . . 4.440 4.399 3.682 5.085 0.645 19 8 "[ **- *1* * . +*]" 1
448 1 30 LEU HA 1 31 PRO HB3 . . 4.880 5.088 4.913 5.224 0.344 1 0 "[ . 1 . 2]" 1
449 1 30 LEU HA 1 30 LEU HG . . 3.680 3.078 2.991 3.207 . 0 0 "[ . 1 . 2]" 1
450 1 30 LEU HA 1 30 LEU MD2 . . 4.210 1.981 1.927 2.040 . 0 0 "[ . 1 . 2]" 1
451 1 30 LEU HA 2 15 ILE MG . . 5.500 5.266 4.606 5.906 0.406 17 0 "[ . 1 . 2]" 1
452 1 30 LEU HG 1 31 PRO HD3 . . 5.500 5.377 5.268 5.560 0.060 20 0 "[ . 1 . 2]" 1
453 1 30 LEU HG 2 15 ILE HA . . 5.500 4.910 4.568 5.253 . 0 0 "[ . 1 . 2]" 1
454 1 29 PRO HA 1 30 LEU QB . . 5.000 4.594 4.467 4.928 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU QB 1 31 PRO HA . . 5.000 4.471 4.348 4.648 . 0 0 "[ . 1 . 2]" 1
456 1 30 LEU HA 1 30 LEU MD1 . . 4.210 3.882 3.864 3.903 . 0 0 "[ . 1 . 2]" 1
457 1 30 LEU MD1 2 68 LEU HA . . 4.770 3.496 2.644 4.032 . 0 0 "[ . 1 . 2]" 1
458 1 30 LEU MD1 1 31 PRO HD3 . . 4.880 5.030 4.817 5.128 0.248 5 0 "[ . 1 . 2]" 1
459 1 30 LEU MD1 2 71 TYR HB3 . . 5.360 5.140 4.332 5.571 0.211 5 0 "[ . 1 . 2]" 1
460 1 28 PHE HB2 1 30 LEU MD1 . . 4.790 3.944 3.609 4.268 . 0 0 "[ . 1 . 2]" 1
461 1 30 LEU MD2 1 31 PRO HD3 . . 4.880 3.184 3.020 3.400 . 0 0 "[ . 1 . 2]" 1
462 1 30 LEU MD2 1 31 PRO HD2 . . 3.990 2.360 2.027 2.626 . 0 0 "[ . 1 . 2]" 1
463 1 30 LEU MD2 2 68 LEU HA . . 4.770 2.955 2.432 3.784 . 0 0 "[ . 1 . 2]" 1
464 1 28 PHE HB2 1 30 LEU MD2 . . 4.790 4.085 3.857 4.343 . 0 0 "[ . 1 . 2]" 1
465 1 32 VAL HA 1 32 VAL MG1 . . 3.110 3.117 2.451 3.287 0.177 12 0 "[ . 1 . 2]" 1
466 1 31 PRO HA 1 32 VAL HA . . 4.770 4.340 4.225 4.482 . 0 0 "[ . 1 . 2]" 1
467 1 32 VAL HA 1 33 THR HA . . 5.160 4.830 4.417 5.411 0.251 15 0 "[ . 1 . 2]" 1
468 1 32 VAL MG1 1 33 THR HA . . 5.170 4.212 3.501 4.593 . 0 0 "[ . 1 . 2]" 1
469 1 32 VAL HA 1 32 VAL MG2 . . 3.110 2.438 2.378 2.480 . 0 0 "[ . 1 . 2]" 1
470 1 33 THR HA 1 33 THR HB . . 2.590 2.543 2.477 2.588 . 0 0 "[ . 1 . 2]" 1
471 1 33 THR HA 1 34 ASN QB . . 4.840 4.664 4.296 5.166 0.326 13 0 "[ . 1 . 2]" 1
472 1 33 THR HA 1 33 THR MG . . 2.880 2.370 2.323 2.436 . 0 0 "[ . 1 . 2]" 1
473 1 32 VAL MG2 1 33 THR HA . . 5.170 4.623 3.648 5.624 0.454 13 0 "[ . 1 . 2]" 1
474 1 33 THR HB 1 34 ASN QB . . 5.500 4.730 3.728 5.881 0.381 17 0 "[ . 1 . 2]" 1
475 1 34 ASN HA 1 35 GLY QA . . 4.570 4.162 3.951 4.504 . 0 0 "[ . 1 . 2]" 1
476 1 36 LYS HA 1 36 LYS HG2 . . 4.120 3.051 2.495 3.815 . 0 0 "[ . 1 . 2]" 1
477 1 36 LYS HA 1 36 LYS QD . . 4.510 3.942 2.011 4.550 0.040 15 0 "[ . 1 . 2]" 1
478 1 38 ARG HA 1 38 ARG QD . . 4.440 3.816 2.100 4.597 0.157 8 0 "[ . 1 . 2]" 1
479 1 38 ARG HA 1 38 ARG QG . . 3.530 2.674 2.417 3.411 . 0 0 "[ . 1 . 2]" 1
480 1 38 ARG HB3 1 38 ARG QD . . 3.490 2.634 2.353 3.380 . 0 0 "[ . 1 . 2]" 1
481 1 23 ASP HA 1 27 MET HB2 . . 5.500 5.063 4.808 6.110 0.610 18 1 "[ . 1 . + 2]" 1
482 1 10 ALA MB 1 12 VAL HA . . 4.640 4.693 4.331 4.993 0.353 11 0 "[ . 1 . 2]" 1
483 1 12 VAL HA 1 14 THR H . . 4.710 4.653 4.421 4.889 0.179 12 0 "[ . 1 . 2]" 1
484 1 11 PRO HA 1 12 VAL HA . . 5.130 4.911 4.805 5.012 . 0 0 "[ . 1 . 2]" 1
485 1 13 GLY QA 1 16 LYS QG . . 4.940 2.846 2.464 3.311 . 0 0 "[ . 1 . 2]" 1
486 1 14 THR MG 1 15 ASP HA . . 4.700 3.500 3.196 3.746 . 0 0 "[ . 1 . 2]" 1
487 1 16 LYS H 1 17 GLU QB . . 5.190 4.547 4.322 4.892 . 0 0 "[ . 1 . 2]" 1
488 1 17 GLU QB 1 20 ASP H . . 5.500 4.936 4.581 5.250 . 0 0 "[ . 1 . 2]" 1
489 1 17 GLU QB 1 18 LEU HA . . 4.430 3.890 3.770 4.110 . 0 0 "[ . 1 . 2]" 1
490 1 18 LEU HA 1 20 ASP H . . 4.860 4.343 4.067 4.610 . 0 0 "[ . 1 . 2]" 1
491 1 19 SER HB2 1 22 LEU HB3 . . 5.500 5.514 5.089 5.884 0.384 5 0 "[ . 1 . 2]" 1
492 1 19 SER HB3 1 22 LEU HB3 . . 5.500 5.630 4.971 6.025 0.525 16 2 "[ . - 1 .+ 2]" 1
493 1 20 ASP HA 1 22 LEU H . . 4.880 4.340 4.134 4.479 . 0 0 "[ . 1 . 2]" 1
494 1 21 LEU QB 2 61 ILE QG . . 5.410 3.803 3.699 4.146 . 0 0 "[ . 1 . 2]" 1
495 1 21 LEU HG 2 64 GLN QB . . 4.580 4.393 3.417 5.005 0.425 10 0 "[ . 1 . 2]" 1
496 1 22 LEU HG 1 23 ASP H . . 4.610 4.231 3.205 5.027 0.417 16 0 "[ . 1 . 2]" 1
497 1 20 ASP QB 1 22 LEU H . . 5.500 4.754 4.515 4.903 . 0 0 "[ . 1 . 2]" 1
498 1 26 MET QG 1 27 MET HB3 . . 4.320 4.621 3.766 4.898 0.578 14 3 "[ . - +. *]" 1
499 1 27 MET ME 1 28 PHE QE . . 3.880 2.603 2.233 2.807 . 0 0 "[ . 1 . 2]" 1
500 1 29 PRO QB 2 15 ILE HB . . 4.690 4.423 4.044 4.723 0.033 9 0 "[ . 1 . 2]" 1
501 1 35 GLY QA 1 36 LYS HA . . 4.550 4.170 3.981 4.555 0.005 9 0 "[ . 1 . 2]" 1
502 1 36 LYS HA 1 37 GLY QA . . 4.830 4.115 3.923 4.486 . 0 0 "[ . 1 . 2]" 1
503 1 17 GLU HA 1 21 LEU H . . 4.860 4.155 3.759 4.462 . 0 0 "[ . 1 . 2]" 1
504 1 19 SER HA 1 23 ASP H . . 4.790 4.504 4.054 4.704 . 0 0 "[ . 1 . 2]" 1
505 1 20 ASP HA 1 24 PHE H . . 5.050 4.282 3.818 4.610 . 0 0 "[ . 1 . 2]" 1
506 1 23 ASP HA 1 26 MET HB2 . . 5.370 5.131 4.909 5.323 . 0 0 "[ . 1 . 2]" 1
507 1 23 ASP HA 1 26 MET HB3 . . 5.370 4.612 4.021 5.057 . 0 0 "[ . 1 . 2]" 1
508 1 24 PHE HA 1 27 MET HB3 . . 5.420 2.308 2.167 2.635 . 0 0 "[ . 1 . 2]" 1
509 1 24 PHE HA 1 27 MET HB2 . . 5.500 2.878 2.257 4.019 . 0 0 "[ . 1 . 2]" 1
510 1 27 MET ME 2 64 GLN QE . . 5.430 4.975 4.082 5.335 . 0 0 "[ . 1 . 2]" 1
511 1 24 PHE H 1 24 PHE QD . . 4.070 3.209 3.008 3.390 . 0 0 "[ . 1 . 2]" 1
512 1 24 PHE HA 1 24 PHE QD . . 3.390 2.099 2.014 2.174 . 0 0 "[ . 1 . 2]" 1
513 1 24 PHE QD 1 27 MET H . . 5.220 4.983 4.705 5.347 0.127 9 0 "[ . 1 . 2]" 1
514 1 24 PHE QD 1 25 SER H . . 4.530 4.438 4.312 4.569 0.039 19 0 "[ . 1 . 2]" 1
515 1 21 LEU HA 1 24 PHE QD . . 3.980 2.531 1.841 3.016 . 0 0 "[ . 1 . 2]" 1
516 1 21 LEU HG 1 24 PHE QD . . 4.610 4.878 3.896 5.161 0.551 2 4 "[ +- . 1 * *]" 1
517 1 21 LEU QB 1 24 PHE QD . . 3.890 4.213 3.500 4.699 0.809 11 5 "[ * .* 1+ - * 2]" 1
518 1 24 PHE QD 2 44 VAL MG2 . . 3.740 3.599 3.373 3.986 0.246 11 0 "[ . 1 . 2]" 1
519 1 24 PHE QE 1 27 MET ME . . 4.410 3.611 2.826 3.931 . 0 0 "[ . 1 . 2]" 1
520 1 24 PHE QE 2 44 VAL HB . . 4.390 2.695 2.333 3.400 . 0 0 "[ . 1 . 2]" 1
521 1 28 PHE H 1 28 PHE QD . . 3.720 3.123 3.057 3.211 . 0 0 "[ . 1 . 2]" 1
522 1 28 PHE HA 1 28 PHE QD . . 3.900 3.793 3.768 3.802 . 0 0 "[ . 1 . 2]" 1
523 1 28 PHE QD 2 15 ILE HA . . 5.500 4.563 4.239 4.870 . 0 0 "[ . 1 . 2]" 1
524 1 28 PHE QD 1 29 PRO HD2 . . 4.290 4.229 4.071 4.495 0.205 4 0 "[ . 1 . 2]" 1
525 1 27 MET ME 1 28 PHE QD . . 3.930 2.186 1.942 2.812 . 0 0 "[ . 1 . 2]" 1
526 1 27 MET HB3 1 28 PHE QD . . 4.660 3.264 2.626 5.093 0.433 18 0 "[ . 1 . 2]" 1
527 1 28 PHE QD 2 68 LEU HG . . 4.850 3.757 3.516 3.974 . 0 0 "[ . 1 . 2]" 1
528 1 28 PHE QD 1 30 LEU HG . . 4.720 2.597 2.262 2.993 . 0 0 "[ . 1 . 2]" 1
529 1 28 PHE QD 1 30 LEU MD2 . . 4.330 4.156 3.908 4.365 0.035 17 0 "[ . 1 . 2]" 1
530 1 21 LEU HA 1 24 PHE QE . . 3.960 4.218 3.774 4.624 0.664 11 1 "[ . 1+ . 2]" 1
531 1 24 PHE QB 1 28 PHE QE . . 4.550 2.011 1.857 2.246 . 0 0 "[ . 1 . 2]" 1
532 1 28 PHE QE 1 30 LEU QB . . 4.300 3.611 2.638 3.854 . 0 0 "[ . 1 . 2]" 1
533 1 28 PHE QE 2 67 ALA MB . . 4.740 4.423 4.210 4.646 . 0 0 "[ . 1 . 2]" 1
534 1 28 PHE QE 2 64 GLN QB . . 4.010 2.846 2.299 3.142 . 0 0 "[ . 1 . 2]" 1
535 1 24 PHE QD 2 61 ILE HA . . 4.520 4.266 3.812 4.705 0.185 19 0 "[ . 1 . 2]" 1
536 1 24 PHE QD 1 27 MET HB3 . . 4.150 3.733 3.425 4.079 . 0 0 "[ . 1 . 2]" 1
537 1 28 PHE QD 2 64 GLN QB . . 5.220 4.695 4.393 4.933 . 0 0 "[ . 1 . 2]" 1
538 1 28 PHE QD 1 30 LEU MD1 . . 4.330 2.690 2.474 3.097 . 0 0 "[ . 1 . 2]" 1
539 1 21 LEU QB 1 24 PHE QE . . 5.490 5.128 4.513 5.572 0.082 11 0 "[ . 1 . 2]" 1
540 1 28 PHE QE 2 64 GLN HA . . 5.050 4.212 3.789 4.617 . 0 0 "[ . 1 . 2]" 1
541 1 28 PHE QE 2 65 LEU HA . . 5.410 4.519 4.338 4.877 . 0 0 "[ . 1 . 2]" 1
542 1 24 PHE QD 2 64 GLN QB . . 5.500 4.408 2.843 5.259 . 0 0 "[ . 1 . 2]" 1
543 1 27 MET QG 1 28 PHE QE . . 4.430 4.777 3.532 4.899 0.469 15 0 "[ . 1 . 2]" 1
544 1 28 PHE HZ 2 67 ALA MB . . 4.750 4.940 4.660 5.097 0.347 20 0 "[ . 1 . 2]" 1
545 1 28 PHE HZ 2 64 GLN QB . . 3.880 1.788 1.694 2.049 . 0 0 "[ . 1 . 2]" 1
546 1 27 MET ME 1 28 PHE HZ . . 4.410 4.524 4.162 4.738 0.328 1 0 "[ . 1 . 2]" 1
547 1 28 PHE HZ 2 64 GLN HA . . 3.940 4.031 3.245 4.412 0.472 14 0 "[ . 1 . 2]" 1
548 1 25 SER HA 1 28 PHE HZ . . 4.290 3.554 2.999 3.960 . 0 0 "[ . 1 . 2]" 1
549 1 28 PHE QE 1 30 LEU HG . . 4.860 4.025 3.605 4.443 . 0 0 "[ . 1 . 2]" 1
550 1 28 PHE QE 2 68 LEU HG . . 4.340 4.354 4.121 4.548 0.208 19 0 "[ . 1 . 2]" 1
551 2 86 CYS H 2 87 LEU H . . 3.980 2.842 2.782 2.923 . 0 0 "[ . 1 . 2]" 1
552 2 22 LEU H 2 23 VAL H . . 3.750 2.662 2.574 2.745 . 0 0 "[ . 1 . 2]" 1
553 2 23 VAL H 2 24 HIS H . . 3.640 2.529 2.477 2.605 . 0 0 "[ . 1 . 2]" 1
554 2 24 HIS H 2 25 ALA H . . 3.770 2.863 2.790 2.960 . 0 0 "[ . 1 . 2]" 1
555 2 19 ILE H 2 20 GLN H . . 3.520 2.651 2.578 2.730 . 0 0 "[ . 1 . 2]" 1
556 2 18 ALA H 2 19 ILE H . . 3.740 2.735 2.621 2.896 . 0 0 "[ . 1 . 2]" 1
557 2 17 ARG H 2 18 ALA H . . 3.320 2.646 2.539 2.765 . 0 0 "[ . 1 . 2]" 1
558 2 28 CYS H 2 29 ARG H . . 4.660 4.149 3.505 4.429 . 0 0 "[ . 1 . 2]" 1
559 2 29 ARG H 2 30 ASN H . . 3.240 2.209 1.675 3.154 . 0 0 "[ . 1 . 2]" 1
560 2 30 ASN H 2 31 ALA H . . 4.710 4.597 4.506 4.650 . 0 0 "[ . 1 . 2]" 1
561 2 30 ASN QD 2 31 ALA H . . 4.200 3.770 3.295 4.112 . 0 0 "[ . 1 . 2]" 1
562 2 31 ALA H 2 32 ASN H . . 3.370 2.299 1.748 2.551 . 0 0 "[ . 1 . 2]" 1
563 2 32 ASN H 2 33 CYS H . . 2.890 2.674 2.469 2.829 . 0 0 "[ . 1 . 2]" 1
564 2 30 ASN QD 2 33 CYS H . . 3.790 2.080 1.835 2.479 . 0 0 "[ . 1 . 2]" 1
565 2 33 CYS H 2 34 SER H . . 4.540 4.470 4.345 4.609 0.069 11 0 "[ . 1 . 2]" 1
566 2 34 SER H 2 35 LEU H . . 3.470 2.294 2.027 2.506 . 0 0 "[ . 1 . 2]" 1
567 2 6 SER H 2 10 SER H . . 5.110 4.319 3.874 4.862 . 0 0 "[ . 1 . 2]" 1
568 2 73 ALA H 2 74 LYS H . . 4.170 2.560 2.509 2.623 . 0 0 "[ . 1 . 2]" 1
569 2 73 ALA H 2 76 CYS H . . 4.850 4.623 4.497 4.881 0.031 8 0 "[ . 1 . 2]" 1
570 2 76 CYS H 2 77 GLN H . . 4.640 4.233 4.109 4.454 . 0 0 "[ . 1 . 2]" 1
571 2 77 GLN H 2 78 GLU H . . 3.810 2.933 2.195 3.942 0.132 8 0 "[ . 1 . 2]" 1
572 2 78 GLU H 2 79 ASN H . . 4.420 4.426 4.205 4.582 0.162 16 0 "[ . 1 . 2]" 1
573 2 79 ASN H 2 80 LYS H . . 4.260 2.302 2.166 2.398 . 0 0 "[ . 1 . 2]" 1
574 2 80 LYS H 2 81 CYS H . . 4.170 3.156 2.516 3.891 . 0 0 "[ . 1 . 2]" 1
575 2 70 ALA H 2 71 TYR H . . 3.990 2.661 2.577 2.709 . 0 0 "[ . 1 . 2]" 1
576 2 69 ALA H 2 70 ALA H . . 4.110 2.682 2.650 2.713 . 0 0 "[ . 1 . 2]" 1
577 2 68 LEU H 2 69 ALA H . . 4.340 2.676 2.633 2.711 . 0 0 "[ . 1 . 2]" 1
578 2 41 MET H 2 42 LYS H . . 3.840 2.619 2.536 2.684 . 0 0 "[ . 1 . 2]" 1
579 2 42 LYS H 2 43 ARG H . . 3.800 2.601 2.492 2.729 . 0 0 "[ . 1 . 2]" 1
580 2 43 ARG H 2 44 VAL H . . 3.720 2.839 2.609 2.931 . 0 0 "[ . 1 . 2]" 1
581 2 44 VAL H 2 45 VAL H . . 3.870 2.572 2.500 2.647 . 0 0 "[ . 1 . 2]" 1
582 2 46 GLN H 2 47 HIS H . . 3.620 2.519 2.451 2.604 . 0 0 "[ . 1 . 2]" 1
583 2 47 HIS H 2 48 THR H . . 3.760 2.906 2.836 2.969 . 0 0 "[ . 1 . 2]" 1
584 2 40 LYS H 2 41 MET H . . 3.480 2.634 2.496 2.778 . 0 0 "[ . 1 . 2]" 1
585 2 39 GLN H 2 40 LYS H . . 3.440 2.693 2.600 2.801 . 0 0 "[ . 1 . 2]" 1
586 2 38 CYS H 2 39 GLN H . . 3.350 2.653 2.568 2.810 . 0 0 "[ . 1 . 2]" 1
587 2 37 SER H 2 38 CYS H . . 4.160 2.742 2.662 2.804 . 0 0 "[ . 1 . 2]" 1
588 2 57 GLY H 2 58 GLY H . . 3.630 2.701 1.745 3.565 . 0 0 "[ . 1 . 2]" 1
589 2 56 ASN H 2 57 GLY H . . 4.530 2.668 2.186 3.513 . 0 0 "[ . 1 . 2]" 1
590 2 54 LYS H 2 55 THR H . . 4.280 2.652 2.307 2.868 . 0 0 "[ . 1 . 2]" 1
591 2 52 LYS H 2 53 ARG H . . 3.990 2.348 2.203 2.472 . 0 0 "[ . 1 . 2]" 1
592 2 51 CYS H 2 52 LYS H . . 4.510 4.003 3.752 4.183 . 0 0 "[ . 1 . 2]" 1
593 2 50 GLY H 2 51 CYS H . . 3.170 2.741 2.350 2.967 . 0 0 "[ . 1 . 2]" 1
594 2 49 LYS H 2 50 GLY H . . 3.550 2.680 2.558 2.847 . 0 0 "[ . 1 . 2]" 1
595 2 48 THR H 2 49 LYS H . . 3.830 2.603 2.538 2.680 . 0 0 "[ . 1 . 2]" 1
596 2 8 GLY H 2 10 SER H . . 4.730 4.312 3.887 4.679 . 0 0 "[ . 1 . 2]" 1
597 2 8 GLY H 2 9 ASP H . . 3.430 2.677 2.594 2.729 . 0 0 "[ . 1 . 2]" 1
598 2 9 ASP H 2 10 SER H . . 3.260 2.643 2.447 2.791 . 0 0 "[ . 1 . 2]" 1
599 2 10 SER H 2 11 ARG H . . 3.540 2.835 2.590 2.984 . 0 0 "[ . 1 . 2]" 1
600 2 11 ARG H 2 12 ARG H . . 3.260 2.561 2.485 2.635 . 0 0 "[ . 1 . 2]" 1
601 2 90 LYS H 2 91 GLN H . . 3.600 2.496 2.403 2.584 . 0 0 "[ . 1 . 2]" 1
602 2 88 ASN H 2 89 ILE H . . 3.750 2.735 2.675 2.815 . 0 0 "[ . 1 . 2]" 1
603 2 63 LYS H 2 64 GLN H . . 3.590 2.637 2.572 2.733 . 0 0 "[ . 1 . 2]" 1
604 2 62 CYS H 2 63 LYS H . . 3.750 2.544 2.512 2.591 . 0 0 "[ . 1 . 2]" 1
605 2 61 ILE H 2 62 CYS H . . 3.570 2.621 2.502 2.711 . 0 0 "[ . 1 . 2]" 1
606 2 61 ILE H 2 63 LYS H . . 4.180 3.660 3.584 3.732 . 0 0 "[ . 1 . 2]" 1
607 2 66 ILE H 2 67 ALA H . . 4.040 2.500 2.456 2.540 . 0 0 "[ . 1 . 2]" 1
608 2 67 ALA H 2 68 LEU H . . 4.230 2.761 2.675 2.842 . 0 0 "[ . 1 . 2]" 1
609 2 5 GLN HA 2 6 SER H . . 2.400 2.444 2.161 2.727 0.327 2 0 "[ . 1 . 2]" 1
610 2 6 SER H 2 6 SER QB . . 2.710 2.530 2.253 2.727 0.017 15 0 "[ . 1 . 2]" 1
611 2 6 SER QB 2 9 ASP H . . 2.920 2.836 2.226 3.616 0.696 20 4 "[ . 1 - * * +]" 1
612 2 8 GLY QA 2 9 ASP H . . 3.180 2.739 2.685 2.801 . 0 0 "[ . 1 . 2]" 1
613 2 32 ASN HB2 2 32 ASN QD . . 3.330 3.165 2.876 3.322 . 0 0 "[ . 1 . 2]" 1
614 2 30 ASN QB 2 32 ASN QD . . 3.720 3.706 1.904 4.462 0.742 19 5 "[ . * - . **+2]" 1
615 2 30 ASN HA 2 31 ALA H . . 3.230 2.313 2.156 2.632 . 0 0 "[ . 1 . 2]" 1
616 2 30 ASN QB 2 31 ALA H . . 3.980 2.666 2.177 3.044 . 0 0 "[ . 1 . 2]" 1
617 2 30 ASN H 2 30 ASN QB . . 3.450 2.549 2.370 2.746 . 0 0 "[ . 1 . 2]" 1
618 2 30 ASN QD 2 32 ASN HA . . 5.090 4.203 3.982 4.603 . 0 0 "[ . 1 . 2]" 1
619 2 75 HIS H 2 76 CYS HB3 . . 4.850 3.991 3.748 4.186 . 0 0 "[ . 1 . 2]" 1
620 2 28 CYS H 2 28 CYS QB . . 3.250 2.341 2.275 2.404 . 0 0 "[ . 1 . 2]" 1
621 2 28 CYS H 2 29 ARG QD . . 4.330 4.044 3.544 4.965 0.635 15 2 "[ . 1 + - 2]" 1
622 2 26 ALA H 2 26 ALA MB . . 2.890 2.252 2.235 2.265 . 0 0 "[ . 1 . 2]" 1
623 2 44 VAL H 2 44 VAL HB . . 3.680 2.589 2.453 2.666 . 0 0 "[ . 1 . 2]" 1
624 2 44 VAL H 2 44 VAL MG1 . . 3.990 2.337 2.042 3.829 . 0 0 "[ . 1 . 2]" 1
625 2 45 VAL H 2 45 VAL HB . . 3.630 2.637 2.306 3.728 0.098 13 0 "[ . 1 . 2]" 1
626 2 66 ILE H 2 66 ILE MD . . 4.440 4.534 4.488 4.568 0.128 12 0 "[ . 1 . 2]" 1
627 2 57 GLY QA 2 59 CYS H . . 4.160 4.211 3.546 5.132 0.972 10 4 "[ .* + * . -2]" 1
628 2 59 CYS H 2 59 CYS QB . . 3.380 2.537 2.198 2.837 . 0 0 "[ . 1 . 2]" 1
629 2 16 GLN H 2 16 GLN HE21 . . 4.530 3.689 3.517 3.812 . 0 0 "[ . 1 . 2]" 1
630 2 71 TYR H 2 72 HIS H . . 4.330 2.774 2.736 2.819 . 0 0 "[ . 1 . 2]" 1
631 2 72 HIS H 2 73 ALA H . . 4.820 2.686 2.576 2.792 . 0 0 "[ . 1 . 2]" 1
632 2 55 THR H 2 55 THR HB . . 3.730 2.735 2.045 3.073 . 0 0 "[ . 1 . 2]" 1
633 2 55 THR H 2 55 THR MG . . 3.660 2.383 2.056 3.535 . 0 0 "[ . 1 . 2]" 1
634 2 47 HIS HB3 2 48 THR H . . 4.350 2.773 2.637 2.933 . 0 0 "[ . 1 . 2]" 1
635 2 83 VAL H 2 83 VAL MG1 . . 4.000 3.351 2.517 3.845 . 0 0 "[ . 1 . 2]" 1
636 2 23 VAL MG2 2 83 VAL H . . 5.500 5.089 3.330 6.032 0.532 10 3 "[ . - + *. 2]" 1
637 2 83 VAL H 2 83 VAL HB . . 3.680 3.012 2.531 3.671 . 0 0 "[ . 1 . 2]" 1
638 2 66 ILE HA 2 69 ALA H . . 4.850 3.257 3.089 3.397 . 0 0 "[ . 1 . 2]" 1
639 2 18 ALA H 2 18 ALA MB . . 3.060 2.231 2.193 2.257 . 0 0 "[ . 1 . 2]" 1
640 2 17 ARG QB 2 18 ALA H . . 3.430 2.607 2.333 2.789 . 0 0 "[ . 1 . 2]" 1
641 2 61 ILE H 2 61 ILE MD . . 3.640 2.374 2.230 2.571 . 0 0 "[ . 1 . 2]" 1
642 2 61 ILE H 2 61 ILE MG . . 3.840 3.764 3.745 3.793 . 0 0 "[ . 1 . 2]" 1
643 2 61 ILE H 2 61 ILE HB . . 3.410 3.005 2.931 3.136 . 0 0 "[ . 1 . 2]" 1
644 2 61 ILE H 2 61 ILE QG . . 3.620 1.859 1.809 1.892 . 0 0 "[ . 1 . 2]" 1
645 2 15 ILE H 2 15 ILE MG . . 4.070 2.465 2.350 2.624 . 0 0 "[ . 1 . 2]" 1
646 2 15 ILE H 2 15 ILE QG . . 4.590 4.017 3.956 4.073 . 0 0 "[ . 1 . 2]" 1
647 1 29 PRO HD3 2 15 ILE H . . 5.190 3.563 3.255 3.859 . 0 0 "[ . 1 . 2]" 1
648 2 66 ILE H 2 66 ILE HG12 . . 5.090 4.657 4.624 4.689 . 0 0 "[ . 1 . 2]" 1
649 2 66 ILE HG12 2 70 ALA H . . 5.270 4.281 4.082 4.469 . 0 0 "[ . 1 . 2]" 1
650 2 66 ILE H 2 66 ILE HB . . 3.990 2.550 2.484 2.622 . 0 0 "[ . 1 . 2]" 1
651 2 19 ILE H 2 19 ILE QG . . 3.630 2.084 2.030 2.148 . 0 0 "[ . 1 . 2]" 1
652 2 19 ILE H 2 19 ILE HB . . 3.580 2.596 2.553 2.729 . 0 0 "[ . 1 . 2]" 1
653 2 64 GLN H 2 65 LEU H . . 3.870 2.720 2.669 2.812 . 0 0 "[ . 1 . 2]" 1
654 2 73 ALA MB 2 74 LYS H . . 3.440 2.957 2.883 3.026 . 0 0 "[ . 1 . 2]" 1
655 2 74 LYS H 2 74 LYS HB3 . . 3.630 3.643 3.621 3.660 0.030 2 0 "[ . 1 . 2]" 1
656 2 74 LYS H 2 74 LYS HG3 . . 3.660 3.715 3.604 3.834 0.174 20 0 "[ . 1 . 2]" 1
657 2 74 LYS H 2 74 LYS QE . . 4.670 3.951 3.700 4.212 . 0 0 "[ . 1 . 2]" 1
658 2 35 LEU H 2 35 LEU HB3 . . 2.860 2.551 2.469 2.623 . 0 0 "[ . 1 . 2]" 1
659 2 35 LEU H 2 35 LEU HB2 . . 3.690 3.650 3.614 3.682 . 0 0 "[ . 1 . 2]" 1
660 2 68 LEU H 2 68 LEU HB3 . . 3.960 3.749 3.725 3.771 . 0 0 "[ . 1 . 2]" 1
661 2 68 LEU H 2 68 LEU HB2 . . 3.960 2.744 2.677 2.810 . 0 0 "[ . 1 . 2]" 1
662 2 87 LEU H 2 87 LEU HB3 . . 3.550 3.494 3.308 3.610 0.060 6 0 "[ . 1 . 2]" 1
663 2 87 LEU H 2 87 LEU HB2 . . 3.700 2.233 2.101 2.374 . 0 0 "[ . 1 . 2]" 1
664 2 65 LEU H 2 65 LEU HB2 . . 3.700 2.585 2.482 2.614 . 0 0 "[ . 1 . 2]" 1
665 2 13 LEU H 2 13 LEU HB2 . . 3.230 2.605 2.268 2.719 . 0 0 "[ . 1 . 2]" 1
666 2 22 LEU H 2 22 LEU HB3 . . 3.730 2.413 2.321 2.480 . 0 0 "[ . 1 . 2]" 1
667 2 22 LEU H 2 22 LEU HG . . 4.510 4.476 4.403 4.520 0.010 10 0 "[ . 1 . 2]" 1
668 2 22 LEU H 2 22 LEU HB2 . . 3.730 2.540 2.486 2.609 . 0 0 "[ . 1 . 2]" 1
669 2 92 LYS H 2 92 LYS HA . . 2.890 2.931 2.877 2.964 0.074 17 0 "[ . 1 . 2]" 1
670 2 92 LYS H 2 92 LYS QG . . 3.070 2.421 2.248 2.567 . 0 0 "[ . 1 . 2]" 1
671 2 92 LYS H 2 92 LYS HB3 . . 3.770 3.693 3.646 3.755 . 0 0 "[ . 1 . 2]" 1
672 2 92 LYS H 2 92 LYS QD . . 3.500 3.410 3.166 3.575 0.075 13 0 "[ . 1 . 2]" 1
673 2 78 GLU HB2 2 80 LYS H . . 4.340 4.669 2.700 5.184 0.844 2 7 "[ + . ***1* *.- 2]" 1
674 2 80 LYS H 2 80 LYS HB2 . . 4.200 2.594 2.458 2.917 . 0 0 "[ . 1 . 2]" 1
675 2 80 LYS H 2 80 LYS HD3 . . 4.680 3.668 1.966 4.735 0.055 5 0 "[ . 1 . 2]" 1
676 2 78 GLU QG 2 80 LYS H . . 4.170 2.829 2.060 4.421 0.251 6 0 "[ . 1 . 2]" 1
677 2 80 LYS H 2 81 CYS HB3 . . 5.500 5.373 5.071 6.012 0.512 20 1 "[ . 1 . +]" 1
678 2 82 PRO HG3 2 83 VAL H . . 4.000 3.935 3.801 4.094 0.094 19 0 "[ . 1 . 2]" 1
679 2 52 LYS H 2 52 LYS HG2 . . 4.270 3.568 2.598 4.249 . 0 0 "[ . 1 . 2]" 1
680 2 52 LYS H 2 52 LYS HG3 . . 4.270 2.538 2.051 3.716 . 0 0 "[ . 1 . 2]" 1
681 2 52 LYS H 2 52 LYS HB2 . . 4.190 2.484 2.405 2.618 . 0 0 "[ . 1 . 2]" 1
682 2 82 PRO HG2 2 83 VAL H . . 4.420 2.317 2.153 2.505 . 0 0 "[ . 1 . 2]" 1
683 2 52 LYS H 2 52 LYS HB3 . . 4.140 3.636 3.603 3.690 . 0 0 "[ . 1 . 2]" 1
684 2 52 LYS H 2 53 ARG HB3 . . 4.560 4.520 4.337 4.654 0.094 10 0 "[ . 1 . 2]" 1
685 2 54 LYS H 2 54 LYS QE . . 4.720 4.451 4.171 4.714 . 0 0 "[ . 1 . 2]" 1
686 2 54 LYS H 2 54 LYS HB3 . . 4.170 2.575 2.484 2.669 . 0 0 "[ . 1 . 2]" 1
687 2 54 LYS H 2 54 LYS HB2 . . 3.740 3.616 3.578 3.650 . 0 0 "[ . 1 . 2]" 1
688 2 54 LYS H 2 54 LYS HD3 . . 4.230 4.044 3.778 4.242 0.012 20 0 "[ . 1 . 2]" 1
689 2 54 LYS H 2 54 LYS HG2 . . 4.080 2.176 2.031 2.346 . 0 0 "[ . 1 . 2]" 1
690 2 53 ARG HB3 2 54 LYS H . . 3.930 3.295 2.967 4.246 0.316 3 0 "[ . 1 . 2]" 1
691 2 62 CYS HB3 2 63 LYS H . . 3.800 3.969 3.823 4.103 0.303 15 0 "[ . 1 . 2]" 1
692 2 63 LYS H 2 63 LYS HB2 . . 3.500 2.542 2.395 2.688 . 0 0 "[ . 1 . 2]" 1
693 2 40 LYS H 2 40 LYS QD . . 3.850 3.682 2.881 4.332 0.482 8 0 "[ . 1 . 2]" 1
694 2 49 LYS H 2 49 LYS HG3 . . 3.670 2.307 2.150 2.503 . 0 0 "[ . 1 . 2]" 1
695 2 49 LYS H 2 49 LYS QD . . 3.620 3.702 3.586 3.854 0.234 14 0 "[ . 1 . 2]" 1
696 2 49 LYS H 2 49 LYS QB . . 3.150 2.409 2.347 2.466 . 0 0 "[ . 1 . 2]" 1
697 2 49 LYS H 2 49 LYS QE . . 4.450 4.490 4.212 4.761 0.311 2 0 "[ . 1 . 2]" 1
698 2 90 LYS H 2 90 LYS HG3 . . 3.580 2.279 1.944 2.855 . 0 0 "[ . 1 . 2]" 1
699 2 90 LYS H 2 90 LYS QB . . 3.220 2.639 2.492 2.818 . 0 0 "[ . 1 . 2]" 1
700 2 43 ARG H 2 43 ARG QD . . 4.800 4.657 4.458 4.999 0.199 11 0 "[ . 1 . 2]" 1
701 2 42 LYS QB 2 43 ARG H . . 3.700 2.716 2.558 2.861 . 0 0 "[ . 1 . 2]" 1
702 2 43 ARG H 2 43 ARG QB . . 3.090 2.225 2.121 2.441 . 0 0 "[ . 1 . 2]" 1
703 2 11 ARG QD 2 12 ARG H . . 4.930 4.612 4.343 4.845 . 0 0 "[ . 1 . 2]" 1
704 2 12 ARG H 2 12 ARG QB . . 2.710 2.271 2.222 2.343 . 0 0 "[ . 1 . 2]" 1
705 2 11 ARG HG2 2 12 ARG H . . 3.110 2.847 2.559 3.035 . 0 0 "[ . 1 . 2]" 1
706 2 11 ARG HG3 2 12 ARG H . . 3.300 2.973 2.575 3.387 0.087 14 0 "[ . 1 . 2]" 1
707 2 53 ARG H 2 53 ARG HB2 . . 3.510 2.632 2.350 3.628 0.118 3 0 "[ . 1 . 2]" 1
708 2 53 ARG H 2 53 ARG QG . . 3.600 3.859 2.488 4.095 0.495 7 0 "[ . 1 . 2]" 1
709 2 53 ARG H 2 53 ARG HB3 . . 3.270 2.466 2.346 2.629 . 0 0 "[ . 1 . 2]" 1
710 2 17 ARG H 2 17 ARG QG . . 3.240 2.295 2.103 2.480 . 0 0 "[ . 1 . 2]" 1
711 2 11 ARG H 2 11 ARG QB . . 2.870 2.484 2.443 2.568 . 0 0 "[ . 1 . 2]" 1
712 2 11 ARG H 2 11 ARG HG2 . . 3.280 2.338 2.191 2.473 . 0 0 "[ . 1 . 2]" 1
713 2 11 ARG H 2 11 ARG HG3 . . 3.390 3.522 3.351 3.628 0.238 14 0 "[ . 1 . 2]" 1
714 2 11 ARG H 2 11 ARG QD . . 3.830 3.880 3.680 4.041 0.211 9 0 "[ . 1 . 2]" 1
715 2 77 GLN HB2 2 78 GLU H . . 4.700 4.307 3.633 4.548 . 0 0 "[ . 1 . 2]" 1
716 2 78 GLU H 2 78 GLU HB2 . . 3.440 2.799 2.257 3.594 0.154 17 0 "[ . 1 . 2]" 1
717 2 78 GLU H 2 78 GLU HB3 . . 3.440 2.822 2.445 3.597 0.157 13 0 "[ . 1 . 2]" 1
718 2 19 ILE HB 2 20 GLN H . . 3.700 2.644 2.440 2.798 . 0 0 "[ . 1 . 2]" 1
719 2 20 GLN H 2 20 GLN HB2 . . 3.240 2.449 2.419 2.487 . 0 0 "[ . 1 . 2]" 1
720 2 46 GLN HA 2 46 GLN HE21 . . 4.320 4.253 4.149 4.408 0.088 17 0 "[ . 1 . 2]" 1
721 2 46 GLN HA 2 46 GLN HE22 . . 4.050 4.219 4.139 4.361 0.311 17 0 "[ . 1 . 2]" 1
722 2 39 GLN H 2 39 GLN HB2 . . 2.980 2.482 2.379 2.662 . 0 0 "[ . 1 . 2]" 1
723 2 39 GLN QE 2 39 GLN HG3 . . 3.320 2.916 2.777 3.249 . 0 0 "[ . 1 . 2]" 1
724 2 39 GLN QE 2 39 GLN HG2 . . 3.220 2.211 2.140 2.261 . 0 0 "[ . 1 . 2]" 1
725 2 5 GLN HB2 2 5 GLN HE21 . . 4.460 3.862 2.091 4.665 0.205 18 0 "[ . 1 . 2]" 1
726 2 16 GLN H 2 16 GLN HG3 . . 3.370 2.523 2.357 2.649 . 0 0 "[ . 1 . 2]" 1
727 2 16 GLN H 2 16 GLN QB . . 3.200 2.403 2.347 2.448 . 0 0 "[ . 1 . 2]" 1
728 2 46 GLN HB2 2 47 HIS H . . 3.510 2.758 2.677 2.914 . 0 0 "[ . 1 . 2]" 1
729 2 16 GLN HE21 2 16 GLN HG3 . . 3.470 2.307 2.269 2.329 . 0 0 "[ . 1 . 2]" 1
730 2 16 GLN HE21 2 16 GLN HG2 . . 3.420 3.501 3.481 3.516 0.096 5 0 "[ . 1 . 2]" 1
731 2 12 ARG HA 2 16 GLN HE21 . . 4.450 4.050 3.939 4.179 . 0 0 "[ . 1 . 2]" 1
732 2 12 ARG HA 2 16 GLN HE22 . . 5.130 5.436 5.182 5.616 0.486 17 0 "[ . 1 . 2]" 1
733 2 16 GLN HE22 2 16 GLN HG3 . . 3.580 3.530 3.516 3.542 . 0 0 "[ . 1 . 2]" 1
734 2 16 GLN QB 2 16 GLN HE21 . . 4.060 2.709 2.623 2.821 . 0 0 "[ . 1 . 2]" 1
735 2 64 GLN H 2 64 GLN HG3 . . 3.860 2.737 1.951 3.625 . 0 0 "[ . 1 . 2]" 1
736 2 64 GLN H 2 64 GLN HG2 . . 3.860 2.559 2.039 3.448 . 0 0 "[ . 1 . 2]" 1
737 2 64 GLN H 2 64 GLN QB . . 3.710 2.645 2.425 2.818 . 0 0 "[ . 1 . 2]" 1
738 2 63 LYS HB2 2 64 GLN H . . 4.000 3.896 3.721 4.043 0.043 7 0 "[ . 1 . 2]" 1
739 2 79 ASN H 2 79 ASN HB3 . . 3.800 2.645 2.444 2.921 . 0 0 "[ . 1 . 2]" 1
740 2 78 GLU HA 2 79 ASN H . . 3.520 2.157 2.096 2.207 . 0 0 "[ . 1 . 2]" 1
741 2 79 ASN HA 2 79 ASN QD . . 4.260 3.916 3.641 3.994 . 0 0 "[ . 1 . 2]" 1
742 2 88 ASN H 2 88 ASN HB2 . . 3.790 2.600 2.399 2.738 . 0 0 "[ . 1 . 2]" 1
743 2 88 ASN HA 2 88 ASN HD21 . . 4.150 2.459 1.965 3.915 . 0 0 "[ . 1 . 2]" 1
744 2 88 ASN HA 2 88 ASN HD22 . . 4.150 3.805 3.580 4.355 0.205 17 0 "[ . 1 . 2]" 1
745 2 88 ASN HB2 2 88 ASN HD22 . . 3.810 3.945 3.498 4.094 0.284 9 0 "[ . 1 . 2]" 1
746 2 75 HIS H 2 75 HIS HB2 . . 3.950 2.599 2.514 2.665 . 0 0 "[ . 1 . 2]" 1
747 2 75 HIS H 2 75 HIS HB3 . . 3.950 3.724 3.660 3.774 . 0 0 "[ . 1 . 2]" 1
748 2 73 ALA H 2 75 HIS H . . 4.930 4.201 4.096 4.501 . 0 0 "[ . 1 . 2]" 1
749 2 81 CYS H 2 81 CYS HB3 . . 3.960 2.804 2.605 3.561 . 0 0 "[ . 1 . 2]" 1
750 2 81 CYS H 2 81 CYS HB2 . . 3.940 2.636 2.177 3.045 . 0 0 "[ . 1 . 2]" 1
751 2 34 SER H 2 34 SER HB3 . . 3.970 3.093 2.844 3.344 . 0 0 "[ . 1 . 2]" 1
752 2 33 CYS HA 2 34 SER H . . 3.100 2.212 2.160 2.258 . 0 0 "[ . 1 . 2]" 1
753 2 34 SER H 2 34 SER HB2 . . 3.970 3.725 3.620 3.868 . 0 0 "[ . 1 . 2]" 1
754 2 27 GLN QE 2 27 GLN HG3 . . 3.450 2.772 2.301 2.829 . 0 0 "[ . 1 . 2]" 1
755 2 77 GLN HE22 2 77 GLN QG . . 3.450 3.490 3.309 3.521 0.071 18 0 "[ . 1 . 2]" 1
756 2 77 GLN HA 2 77 GLN HE21 . . 4.110 3.689 3.295 4.447 0.337 12 0 "[ . 1 . 2]" 1
757 2 77 GLN HA 2 77 GLN HE22 . . 5.190 5.119 4.882 5.324 0.134 12 0 "[ . 1 . 2]" 1
758 2 14 SER H 2 17 ARG QD . . 5.180 4.566 4.277 5.054 . 0 0 "[ . 1 . 2]" 1
759 2 41 MET H 2 41 MET HG2 . . 4.760 4.528 3.592 4.734 . 0 0 "[ . 1 . 2]" 1
760 2 41 MET H 2 41 MET HG3 . . 4.760 4.585 4.395 4.641 . 0 0 "[ . 1 . 2]" 1
761 2 41 MET H 2 41 MET HB2 . . 3.740 2.351 2.192 2.604 . 0 0 "[ . 1 . 2]" 1
762 2 41 MET H 2 41 MET HB3 . . 3.740 2.987 2.600 3.386 . 0 0 "[ . 1 . 2]" 1
763 2 24 HIS H 2 24 HIS HB3 . . 3.310 2.521 2.451 2.575 . 0 0 "[ . 1 . 2]" 1
764 2 24 HIS H 2 24 HIS HB2 . . 3.730 2.629 2.550 2.718 . 0 0 "[ . 1 . 2]" 1
765 2 38 CYS H 2 38 CYS HB3 . . 3.490 2.519 2.332 2.622 . 0 0 "[ . 1 . 2]" 1
766 2 38 CYS H 2 38 CYS HB2 . . 3.460 2.619 2.434 2.735 . 0 0 "[ . 1 . 2]" 1
767 2 47 HIS H 2 47 HIS HB2 . . 3.560 2.828 2.742 2.881 . 0 0 "[ . 1 . 2]" 1
768 2 39 GLN HB2 2 40 LYS H . . 3.270 2.513 2.259 2.665 . 0 0 "[ . 1 . 2]" 1
769 2 39 GLN HA 2 42 LYS H . . 4.090 3.655 3.425 4.091 0.001 10 0 "[ . 1 . 2]" 1
770 2 42 LYS H 2 42 LYS QB . . 3.550 2.430 2.258 2.526 . 0 0 "[ . 1 . 2]" 1
771 2 42 LYS H 2 42 LYS QG . . 3.800 2.679 2.550 3.004 . 0 0 "[ . 1 . 2]" 1
772 2 25 ALA MB 2 42 LYS H . . 3.610 3.098 2.857 3.270 . 0 0 "[ . 1 . 2]" 1
773 2 51 CYS H 2 51 CYS HB3 . . 3.190 2.527 2.252 2.666 . 0 0 "[ . 1 . 2]" 1
774 2 51 CYS H 2 51 CYS HB2 . . 3.190 3.155 2.965 3.336 0.146 11 0 "[ . 1 . 2]" 1
775 2 56 ASN QB 2 57 GLY H . . 3.910 3.237 2.627 4.080 0.170 9 0 "[ . 1 . 2]" 1
776 2 62 CYS H 2 62 CYS HB3 . . 3.890 3.580 3.556 3.597 . 0 0 "[ . 1 . 2]" 1
777 2 62 CYS H 2 62 CYS HB2 . . 4.060 2.379 2.328 2.429 . 0 0 "[ . 1 . 2]" 1
778 2 61 ILE HB 2 62 CYS H . . 3.660 2.506 2.345 2.689 . 0 0 "[ . 1 . 2]" 1
779 2 71 TYR H 2 71 TYR HB3 . . 3.970 2.139 2.108 2.186 . 0 0 "[ . 1 . 2]" 1
780 2 76 CYS H 2 76 CYS HB3 . . 3.550 2.359 2.313 2.414 . 0 0 "[ . 1 . 2]" 1
781 2 76 CYS H 2 76 CYS HB2 . . 3.560 3.126 2.976 3.206 . 0 0 "[ . 1 . 2]" 1
782 2 86 CYS H 2 86 CYS HB2 . . 3.910 2.543 2.455 2.620 . 0 0 "[ . 1 . 2]" 1
783 2 85 PHE HB2 2 86 CYS H . . 3.940 2.348 2.196 2.553 . 0 0 "[ . 1 . 2]" 1
784 2 9 ASP QB 2 13 LEU H . . 4.930 4.839 4.632 5.059 0.129 6 0 "[ . 1 . 2]" 1
785 2 86 CYS HB3 2 87 LEU H . . 4.120 2.645 2.445 2.822 . 0 0 "[ . 1 . 2]" 1
786 2 42 LYS H 2 45 VAL MG1 . . 5.390 4.905 3.753 5.921 0.531 16 2 "[ . -1 .+ 2]" 1
787 2 42 LYS H 2 42 LYS HE3 . . 5.220 4.287 3.881 4.759 . 0 0 "[ . 1 . 2]" 1
788 2 42 LYS H 2 42 LYS HE2 . . 5.220 5.003 4.354 6.033 0.813 11 2 "[ - . 1+ . 2]" 1
789 1 21 LEU HA 2 64 GLN QE . . 4.990 2.932 2.203 4.084 . 0 0 "[ . 1 . 2]" 1
790 2 64 GLN HA 2 64 GLN QE . . 4.950 4.198 3.307 4.468 . 0 0 "[ . 1 . 2]" 1
791 2 71 TYR HB3 2 72 HIS H . . 4.330 2.860 2.775 2.965 . 0 0 "[ . 1 . 2]" 1
792 2 60 PRO QD 2 61 ILE H . . 3.800 2.816 2.681 2.948 . 0 0 "[ . 1 . 2]" 1
793 2 5 GLN H 2 5 GLN HA . . 2.840 2.571 2.231 2.961 0.121 17 0 "[ . 1 . 2]" 1
794 2 4 THR HA 2 5 GLN H . . 3.200 3.009 2.240 3.538 0.338 9 0 "[ . 1 . 2]" 1
795 2 5 GLN H 2 5 GLN QG . . 3.050 2.791 2.201 3.338 0.288 11 0 "[ . 1 . 2]" 1
796 2 4 THR MG 2 5 GLN H . . 3.440 2.949 2.161 3.603 0.163 11 0 "[ . 1 . 2]" 1
797 2 4 THR H 2 4 THR MG . . 3.280 2.237 1.982 2.754 . 0 0 "[ . 1 . 2]" 1
798 2 3 ALA MB 2 4 THR H . . 3.680 3.663 3.450 3.743 0.063 6 0 "[ . 1 . 2]" 1
799 2 4 THR H 2 5 GLN QG . . 5.500 4.310 2.663 6.084 0.584 18 1 "[ . 1 . + 2]" 1
800 2 3 ALA HA 2 4 THR H . . 2.530 2.518 2.198 2.868 0.338 12 0 "[ . 1 . 2]" 1
801 2 4 THR H 2 4 THR HA . . 2.940 2.921 2.825 2.974 0.034 15 0 "[ . 1 . 2]" 1
802 2 4 THR H 2 4 THR HB . . 3.560 3.034 2.586 3.585 0.025 9 0 "[ . 1 . 2]" 1
803 2 4 THR H 2 5 GLN H . . 4.510 3.077 1.786 4.605 0.095 4 0 "[ . 1 . 2]" 1
804 2 5 GLN H 2 6 SER H . . 4.480 4.429 3.967 4.637 0.157 9 0 "[ . 1 . 2]" 1
805 2 3 ALA H 2 3 ALA MB . . 3.630 2.611 2.240 2.916 . 0 0 "[ . 1 . 2]" 1
806 2 4 THR MG 2 6 SER H . . 5.500 5.566 4.862 6.042 0.542 4 3 "[ +. * - . 2]" 1
807 2 5 GLN QG 2 6 SER H . . 3.730 3.805 3.032 4.208 0.478 20 0 "[ . 1 . 2]" 1
808 2 6 SER H 2 9 ASP QB . . 3.340 2.871 2.403 3.353 0.013 17 0 "[ . 1 . 2]" 1
809 2 6 SER H 2 9 ASP H . . 4.700 4.364 3.877 5.000 0.300 2 0 "[ . 1 . 2]" 1
810 2 8 GLY H 2 8 GLY QA . . 2.690 2.200 2.193 2.210 . 0 0 "[ . 1 . 2]" 1
811 2 8 GLY H 2 9 ASP QB . . 4.720 4.670 4.555 4.759 0.039 8 0 "[ . 1 . 2]" 1
812 2 7 PRO HB3 2 8 GLY H . . 4.040 4.095 3.913 4.189 0.149 9 0 "[ . 1 . 2]" 1
813 2 7 PRO QG 2 8 GLY H . . 3.900 2.390 2.215 2.460 . 0 0 "[ . 1 . 2]" 1
814 2 7 PRO HB2 2 8 GLY H . . 3.500 3.073 2.682 3.327 . 0 0 "[ . 1 . 2]" 1
815 2 7 PRO QG 2 9 ASP H . . 4.480 4.772 4.542 4.864 0.384 7 0 "[ . 1 . 2]" 1
816 2 9 ASP H 2 12 ARG QB . . 4.730 4.473 4.245 4.639 . 0 0 "[ . 1 . 2]" 1
817 2 9 ASP H 2 9 ASP QB . . 2.550 2.379 2.286 2.480 . 0 0 "[ . 1 . 2]" 1
818 2 9 ASP H 2 9 ASP HA . . 2.900 2.866 2.845 2.894 . 0 0 "[ . 1 . 2]" 1
819 2 7 PRO HA 2 9 ASP H . . 4.550 4.542 4.393 4.683 0.133 13 0 "[ . 1 . 2]" 1
820 2 9 ASP H 2 11 ARG QD . . 5.370 5.670 5.090 6.057 0.687 17 8 "[ . * 1**- .*+**2]" 1
821 2 9 ASP QB 2 10 SER H . . 3.310 2.556 2.311 2.895 . 0 0 "[ . 1 . 2]" 1
822 2 10 SER H 2 12 ARG H . . 4.280 3.896 3.559 4.105 . 0 0 "[ . 1 . 2]" 1
823 2 10 SER H 2 12 ARG QB . . 4.830 4.588 4.324 4.775 . 0 0 "[ . 1 . 2]" 1
824 2 10 SER H 2 11 ARG HG2 . . 4.380 4.370 4.001 4.679 0.299 5 0 "[ . 1 . 2]" 1
825 2 10 SER H 2 13 LEU QD . . 4.040 3.898 3.751 4.251 0.211 8 0 "[ . 1 . 2]" 1
826 2 9 ASP H 2 11 ARG H . . 4.620 4.280 4.137 4.449 . 0 0 "[ . 1 . 2]" 1
827 2 11 ARG H 2 13 LEU H . . 5.080 4.454 4.298 4.604 . 0 0 "[ . 1 . 2]" 1
828 2 9 ASP QB 2 12 ARG H . . 4.660 4.676 4.519 4.757 0.097 15 0 "[ . 1 . 2]" 1
829 2 12 ARG H 2 13 LEU QD . . 3.470 3.631 3.566 3.718 0.248 11 0 "[ . 1 . 2]" 1
830 2 12 ARG H 2 15 ILE MG . . 5.080 4.322 4.161 4.629 . 0 0 "[ . 1 . 2]" 1
831 2 28 CYS HA 2 30 ASN H . . 4.220 3.181 2.851 3.820 . 0 0 "[ . 1 . 2]" 1
832 2 12 ARG QB 2 13 LEU H . . 3.230 2.543 2.262 2.740 . 0 0 "[ . 1 . 2]" 1
833 2 14 SER H 2 14 SER QB . . 3.190 2.404 2.241 2.630 . 0 0 "[ . 1 . 2]" 1
834 1 29 PRO HD3 2 14 SER H . . 4.980 4.922 4.629 5.074 0.094 19 0 "[ . 1 . 2]" 1
835 2 14 SER H 2 16 GLN QB . . 5.080 5.047 4.871 5.155 0.075 15 0 "[ . 1 . 2]" 1
836 1 29 PRO QG 2 14 SER H . . 4.970 4.572 4.122 4.952 . 0 0 "[ . 1 . 2]" 1
837 2 14 SER H 2 17 ARG QG . . 5.240 4.630 4.296 4.862 . 0 0 "[ . 1 . 2]" 1
838 2 13 LEU HB2 2 14 SER H . . 3.310 2.551 2.408 2.711 . 0 0 "[ . 1 . 2]" 1
839 2 13 LEU HB3 2 14 SER H . . 3.980 3.541 3.117 3.722 . 0 0 "[ . 1 . 2]" 1
840 2 14 SER H 2 15 ILE MG . . 4.890 4.434 4.302 4.617 . 0 0 "[ . 1 . 2]" 1
841 2 20 GLN HB2 2 20 GLN HE22 . . 5.130 4.689 4.503 4.755 . 0 0 "[ . 1 . 2]" 1
842 2 20 GLN HB3 2 20 GLN HE22 . . 4.280 4.577 4.497 4.780 0.500 15 0 "[ . 1 . 2]" 1
843 2 26 ALA HA 2 46 GLN HE21 . . 4.960 4.329 3.356 4.998 0.038 11 0 "[ . 1 . 2]" 1
844 2 20 GLN HA 2 20 GLN HE21 . . 4.630 4.876 4.803 5.076 0.446 20 0 "[ . 1 . 2]" 1
845 2 20 GLN HB2 2 20 GLN HE21 . . 4.620 4.446 4.073 4.515 . 0 0 "[ . 1 . 2]" 1
846 2 20 GLN HB3 2 20 GLN HE21 . . 4.590 4.154 4.056 4.511 . 0 0 "[ . 1 . 2]" 1
847 2 14 SER HA 2 17 ARG H . . 3.770 3.613 3.374 3.772 0.002 8 0 "[ . 1 . 2]" 1
848 2 18 ALA MB 2 20 GLN H . . 5.280 4.498 4.437 4.588 . 0 0 "[ . 1 . 2]" 1
849 2 15 ILE HA 2 18 ALA H . . 4.090 3.464 3.237 3.617 . 0 0 "[ . 1 . 2]" 1
850 2 17 ARG QD 2 18 ALA H . . 4.970 4.889 4.633 5.134 0.164 17 0 "[ . 1 . 2]" 1
851 2 16 GLN QB 2 18 ALA H . . 4.860 4.754 4.653 4.882 0.022 20 0 "[ . 1 . 2]" 1
852 2 17 ARG QG 2 18 ALA H . . 4.190 4.115 3.904 4.255 0.065 5 0 "[ . 1 . 2]" 1
853 2 44 VAL HA 2 47 HIS H . . 4.310 3.436 3.202 3.709 . 0 0 "[ . 1 . 2]" 1
854 2 15 ILE HB 2 16 GLN H . . 3.620 3.880 3.797 3.940 0.320 7 0 "[ . 1 . 2]" 1
855 2 16 GLN H 2 19 ILE MD . . 4.520 4.295 4.077 4.481 . 0 0 "[ . 1 . 2]" 1
856 2 15 ILE QG 2 16 GLN H . . 5.130 4.659 4.588 4.745 . 0 0 "[ . 1 . 2]" 1
857 2 13 LEU H 2 16 GLN HE21 . . 5.340 3.665 3.500 3.806 . 0 0 "[ . 1 . 2]" 1
858 2 13 LEU HA 2 16 GLN HE21 . . 4.510 2.225 2.041 2.376 . 0 0 "[ . 1 . 2]" 1
859 2 13 LEU QD 2 16 GLN HE21 . . 3.800 2.490 2.188 2.682 . 0 0 "[ . 1 . 2]" 1
860 2 15 ILE MG 2 16 GLN HE21 . . 4.740 3.941 3.772 4.178 . 0 0 "[ . 1 . 2]" 1
861 2 16 GLN QB 2 16 GLN HE22 . . 4.140 3.593 3.557 3.635 . 0 0 "[ . 1 . 2]" 1
862 2 15 ILE MG 2 16 GLN HE22 . . 5.080 5.270 5.107 5.488 0.408 3 0 "[ . 1 . 2]" 1
863 2 19 ILE HA 2 22 LEU H . . 4.230 3.383 3.199 3.662 . 0 0 "[ . 1 . 2]" 1
864 2 19 ILE HA 2 21 SER H . . 4.520 4.311 4.145 4.462 . 0 0 "[ . 1 . 2]" 1
865 2 20 GLN HB2 2 21 SER H . . 3.650 2.875 2.736 3.000 . 0 0 "[ . 1 . 2]" 1
866 2 20 GLN HB3 2 21 SER H . . 4.110 3.802 3.684 3.911 . 0 0 "[ . 1 . 2]" 1
867 2 20 GLN QG 2 21 SER H . . 4.340 4.235 4.188 4.289 . 0 0 "[ . 1 . 2]" 1
868 2 21 SER H 2 21 SER QB . . 3.370 2.414 2.277 2.509 . 0 0 "[ . 1 . 2]" 1
869 2 22 LEU H 2 24 HIS H . . 4.510 3.948 3.776 4.231 . 0 0 "[ . 1 . 2]" 1
870 2 22 LEU H 2 23 VAL HA . . 5.500 5.322 5.277 5.377 . 0 0 "[ . 1 . 2]" 1
871 2 22 LEU H 2 24 HIS HB3 . . 5.500 4.853 4.581 5.144 . 0 0 "[ . 1 . 2]" 1
872 2 22 LEU H 2 41 MET ME . . 3.650 3.236 2.913 4.433 0.783 2 1 "[ + . 1 . 2]" 1
873 2 24 HIS H 2 27 GLN QE . . 4.650 4.392 3.677 4.740 0.090 11 0 "[ . 1 . 2]" 1
874 2 24 HIS H 2 24 HIS HD2 . . 5.500 5.158 5.055 5.233 . 0 0 "[ . 1 . 2]" 1
875 2 24 HIS H 2 27 GLN H . . 5.170 4.943 4.845 5.045 . 0 0 "[ . 1 . 2]" 1
876 2 21 SER HA 2 24 HIS H . . 3.960 3.495 3.241 3.717 . 0 0 "[ . 1 . 2]" 1
877 2 20 GLN HA 2 24 HIS H . . 4.390 3.893 3.814 3.976 . 0 0 "[ . 1 . 2]" 1
878 2 22 LEU HA 2 24 HIS H . . 4.910 4.498 4.367 4.708 . 0 0 "[ . 1 . 2]" 1
879 2 24 HIS H 2 25 ALA MB . . 4.630 4.487 4.396 4.593 . 0 0 "[ . 1 . 2]" 1
880 2 24 HIS H 2 26 ALA MB . . 4.600 4.654 4.464 4.847 0.247 4 0 "[ . 1 . 2]" 1
881 2 23 VAL MG1 2 24 HIS H . . 4.060 3.689 2.884 3.991 . 0 0 "[ . 1 . 2]" 1
882 2 24 HIS HB3 2 25 ALA H . . 3.870 2.303 2.098 2.484 . 0 0 "[ . 1 . 2]" 1
883 2 25 ALA H 2 28 CYS QB . . 4.850 4.034 3.884 4.148 . 0 0 "[ . 1 . 2]" 1
884 2 25 ALA H 2 26 ALA MB . . 4.390 4.348 4.304 4.450 0.060 3 0 "[ . 1 . 2]" 1
885 2 25 ALA H 2 45 VAL MG2 . . 5.500 4.262 3.825 4.825 . 0 0 "[ . 1 . 2]" 1
886 2 25 ALA H 2 26 ALA H . . 3.640 2.668 2.612 2.758 . 0 0 "[ . 1 . 2]" 1
887 2 24 HIS H 2 26 ALA H . . 4.200 4.052 3.943 4.194 . 0 0 "[ . 1 . 2]" 1
888 2 26 ALA H 2 27 GLN H . . 3.320 2.652 2.585 2.735 . 0 0 "[ . 1 . 2]" 1
889 2 23 VAL HA 2 26 ALA H . . 3.870 3.576 3.311 3.917 0.047 13 0 "[ . 1 . 2]" 1
890 2 26 ALA H 2 28 CYS QB . . 5.480 4.579 4.409 4.777 . 0 0 "[ . 1 . 2]" 1
891 2 26 ALA H 2 45 VAL MG2 . . 4.250 3.096 2.756 3.383 . 0 0 "[ . 1 . 2]" 1
892 2 24 HIS HA 2 27 GLN H . . 4.150 3.891 3.742 3.990 . 0 0 "[ . 1 . 2]" 1
893 2 27 GLN H 2 28 CYS HA . . 5.070 5.018 4.917 5.116 0.046 7 0 "[ . 1 . 2]" 1
894 2 25 ALA H 2 27 GLN H . . 4.940 4.284 4.114 4.413 . 0 0 "[ . 1 . 2]" 1
895 2 23 VAL HA 2 27 GLN H . . 4.390 4.290 4.037 4.520 0.130 2 0 "[ . 1 . 2]" 1
896 2 27 GLN H 2 27 GLN HG3 . . 3.480 2.488 2.309 2.625 . 0 0 "[ . 1 . 2]" 1
897 2 27 GLN H 2 27 GLN HB2 . . 3.510 2.424 2.365 2.552 . 0 0 "[ . 1 . 2]" 1
898 2 27 GLN HB3 2 27 GLN QE . . 3.800 2.984 2.867 3.564 . 0 0 "[ . 1 . 2]" 1
899 2 24 HIS HA 2 27 GLN QE . . 3.870 2.584 2.138 3.041 . 0 0 "[ . 1 . 2]" 1
900 2 27 GLN HB2 2 27 GLN QE . . 4.120 1.868 1.794 2.540 . 0 0 "[ . 1 . 2]" 1
901 2 26 ALA MB 2 27 GLN QE . . 4.520 4.542 4.284 4.774 0.254 1 0 "[ . 1 . 2]" 1
902 2 25 ALA H 2 28 CYS H . . 4.690 4.525 4.403 4.655 . 0 0 "[ . 1 . 2]" 1
903 2 27 GLN QE 2 28 CYS H . . 4.100 4.519 4.207 4.771 0.671 6 7 "[***-.+ 1* * . 2]" 1
904 2 25 ALA HA 2 28 CYS H . . 3.750 3.037 2.814 3.281 . 0 0 "[ . 1 . 2]" 1
905 2 27 GLN HB2 2 28 CYS H . . 3.780 3.085 2.929 3.351 . 0 0 "[ . 1 . 2]" 1
906 2 28 CYS H 2 45 VAL MG1 . . 5.500 5.054 4.547 6.081 0.581 7 2 "[ . + 1 - . 2]" 1
907 2 28 CYS H 2 45 VAL MG2 . . 5.500 5.491 4.564 6.004 0.504 14 1 "[ . 1 +. 2]" 1
908 2 28 CYS HA 2 29 ARG H . . 3.500 2.211 2.119 2.492 . 0 0 "[ . 1 . 2]" 1
909 2 29 ARG H 2 30 ASN QB . . 4.570 4.034 3.599 4.494 . 0 0 "[ . 1 . 2]" 1
910 2 28 CYS QB 2 29 ARG H . . 4.520 3.971 3.736 4.061 . 0 0 "[ . 1 . 2]" 1
911 2 29 ARG QB 2 30 ASN H . . 4.260 3.510 2.903 4.066 . 0 0 "[ . 1 . 2]" 1
912 2 30 ASN H 2 30 ASN QD . . 3.940 4.006 3.618 4.267 0.327 8 0 "[ . 1 . 2]" 1
913 2 30 ASN QD 2 33 CYS HB2 . . 4.670 3.127 2.390 4.281 . 0 0 "[ . 1 . 2]" 1
914 2 30 ASN QD 2 31 ALA HA . . 4.670 4.422 3.977 4.790 0.120 15 0 "[ . 1 . 2]" 1
915 2 30 ASN QD 2 33 CYS HA . . 4.450 3.953 3.276 4.537 0.087 9 0 "[ . 1 . 2]" 1
916 2 30 ASN QD 2 32 ASN HB2 . . 4.400 2.249 1.759 4.082 . 0 0 "[ . 1 . 2]" 1
917 2 31 ALA H 2 33 CYS H . . 4.550 4.463 3.611 5.046 0.496 9 0 "[ . 1 . 2]" 1
918 2 31 ALA H 2 32 ASN HB2 . . 4.810 4.670 4.318 5.243 0.433 8 0 "[ . 1 . 2]" 1
919 2 31 ALA H 2 31 ALA MB . . 2.960 2.364 2.259 2.580 . 0 0 "[ . 1 . 2]" 1
920 2 31 ALA HA 2 32 ASN H . . 3.520 3.327 3.133 3.482 . 0 0 "[ . 1 . 2]" 1
921 2 32 ASN H 2 32 ASN HA . . 2.910 2.831 2.791 2.874 . 0 0 "[ . 1 . 2]" 1
922 2 32 ASN H 2 32 ASN QD . . 3.960 2.490 1.775 2.924 . 0 0 "[ . 1 . 2]" 1
923 2 30 ASN QB 2 32 ASN H . . 2.890 2.544 2.175 3.271 0.381 7 0 "[ . 1 . 2]" 1
924 2 32 ASN H 2 32 ASN HB2 . . 2.930 2.572 2.316 3.575 0.645 8 1 "[ . + 1 . 2]" 1
925 2 31 ALA MB 2 32 ASN H . . 3.300 3.267 2.951 3.498 0.198 9 0 "[ . 1 . 2]" 1
926 2 32 ASN HA 2 32 ASN QD . . 3.720 2.231 1.966 3.757 0.037 8 0 "[ . 1 . 2]" 1
927 2 31 ALA HA 2 32 ASN QD . . 4.780 4.849 4.423 5.001 0.221 17 0 "[ . 1 . 2]" 1
928 2 32 ASN HB2 2 33 CYS H . . 3.570 2.944 2.397 3.977 0.407 8 0 "[ . 1 . 2]" 1
929 2 31 ALA MB 2 33 CYS H . . 4.660 4.724 4.496 5.059 0.399 9 0 "[ . 1 . 2]" 1
930 2 34 SER H 2 35 LEU HA . . 4.470 4.600 4.413 4.790 0.320 18 0 "[ . 1 . 2]" 1
931 2 34 SER H 2 39 GLN HG2 . . 5.500 5.857 5.533 6.138 0.638 3 6 "[ + . 1 - ** * *]" 1
932 2 34 SER H 2 35 LEU HB3 . . 4.060 4.247 4.000 4.480 0.420 9 0 "[ . 1 . 2]" 1
933 2 34 SER H 2 35 LEU HB2 . . 5.310 5.696 5.472 5.935 0.625 9 3 "[ *. +1 . - 2]" 1
934 2 33 CYS HA 2 35 LEU H . . 3.790 3.727 3.236 4.101 0.311 3 0 "[ . 1 . 2]" 1
935 2 35 LEU H 2 36 PRO HD3 . . 5.180 5.271 5.175 5.367 0.187 9 0 "[ . 1 . 2]" 1
936 2 35 LEU H 2 38 CYS HB2 . . 4.730 4.542 3.770 5.028 0.298 10 0 "[ . 1 . 2]" 1
937 2 35 LEU H 2 38 CYS HB3 . . 4.290 3.744 3.137 4.154 . 0 0 "[ . 1 . 2]" 1
938 2 36 PRO HD2 2 37 SER H . . 4.400 3.142 2.952 3.356 . 0 0 "[ . 1 . 2]" 1
939 2 36 PRO HD3 2 37 SER H . . 5.110 4.136 4.018 4.280 . 0 0 "[ . 1 . 2]" 1
940 2 35 LEU HB2 2 38 CYS H . . 3.910 4.155 4.007 4.263 0.353 19 0 "[ . 1 . 2]" 1
941 2 37 SER QB 2 38 CYS H . . 4.180 2.577 2.416 2.800 . 0 0 "[ . 1 . 2]" 1
942 2 35 LEU H 2 38 CYS H . . 4.730 4.841 4.542 5.050 0.320 11 0 "[ . 1 . 2]" 1
943 2 24 HIS HD2 2 38 CYS H . . 5.110 5.062 4.728 5.327 0.217 10 0 "[ . 1 . 2]" 1
944 2 36 PRO HG2 2 38 CYS H . . 5.340 4.965 4.881 5.082 . 0 0 "[ . 1 . 2]" 1
945 2 38 CYS H 2 39 GLN HB2 . . 5.500 4.862 4.676 5.019 . 0 0 "[ . 1 . 2]" 1
946 2 36 PRO HB2 2 38 CYS H . . 5.200 5.317 5.147 5.442 0.242 4 0 "[ . 1 . 2]" 1
947 2 35 LEU HG 2 38 CYS H . . 3.840 1.986 1.867 2.183 . 0 0 "[ . 1 . 2]" 1
948 2 38 CYS HB2 2 39 GLN H . . 4.000 3.968 3.779 4.125 0.125 20 0 "[ . 1 . 2]" 1
949 2 38 CYS HB3 2 39 GLN H . . 3.690 2.699 2.400 2.984 . 0 0 "[ . 1 . 2]" 1
950 2 35 LEU HG 2 39 GLN H . . 3.740 3.785 3.489 4.061 0.321 3 0 "[ . 1 . 2]" 1
951 2 34 SER HA 2 39 GLN QE . . 3.780 2.537 1.695 3.342 . 0 0 "[ . 1 . 2]" 1
952 2 39 GLN HA 2 39 GLN QE . . 4.230 3.528 2.844 3.763 . 0 0 "[ . 1 . 2]" 1
953 2 26 ALA HA 2 46 GLN HE22 . . 4.640 3.974 2.722 4.953 0.313 11 0 "[ . 1 . 2]" 1
954 2 39 GLN HB3 2 39 GLN QE . . 4.520 4.075 3.816 4.151 . 0 0 "[ . 1 . 2]" 1
955 2 46 GLN HE22 2 49 LYS QD . . 3.750 3.563 3.209 4.028 0.278 17 0 "[ . 1 . 2]" 1
956 2 40 LYS H 2 42 LYS H . . 4.580 4.143 3.960 4.330 . 0 0 "[ . 1 . 2]" 1
957 2 38 CYS H 2 40 LYS H . . 4.360 4.374 4.235 4.561 0.201 4 0 "[ . 1 . 2]" 1
958 2 40 LYS H 2 40 LYS QB . . 3.460 2.489 2.327 2.685 . 0 0 "[ . 1 . 2]" 1
959 2 40 LYS H 2 40 LYS HG3 . . 3.600 2.992 2.145 3.831 0.231 15 0 "[ . 1 . 2]" 1
960 2 40 LYS H 2 40 LYS HG2 . . 3.600 2.812 2.094 3.791 0.191 9 0 "[ . 1 . 2]" 1
961 2 38 CYS HA 2 41 MET H . . 4.100 3.703 3.348 4.128 0.028 17 0 "[ . 1 . 2]" 1
962 2 41 MET H 2 42 LYS HA . . 5.420 5.250 5.195 5.315 . 0 0 "[ . 1 . 2]" 1
963 1 24 PHE QE 2 41 MET H . . 5.010 4.251 3.750 5.451 0.441 10 0 "[ . 1 . 2]" 1
964 1 24 PHE HZ 2 41 MET H . . 5.320 4.573 4.187 5.278 . 0 0 "[ . 1 . 2]" 1
965 2 40 LYS QB 2 41 MET H . . 3.760 2.683 2.273 3.660 . 0 0 "[ . 1 . 2]" 1
966 2 40 LYS HG2 2 41 MET H . . 4.840 4.493 2.714 5.165 0.325 9 0 "[ . 1 . 2]" 1
967 2 41 MET HG3 2 42 LYS H . . 5.030 4.690 4.047 5.442 0.412 19 0 "[ . 1 . 2]" 1
968 2 41 MET HG2 2 42 LYS H . . 5.030 5.219 4.724 5.453 0.423 12 0 "[ . 1 . 2]" 1
969 2 40 LYS QB 2 42 LYS H . . 5.220 4.797 4.522 5.335 0.115 10 0 "[ . 1 . 2]" 1
970 2 39 GLN H 2 42 LYS H . . 4.910 4.643 4.520 4.801 . 0 0 "[ . 1 . 2]" 1
971 2 42 LYS H 2 44 VAL H . . 4.860 4.254 4.063 4.408 . 0 0 "[ . 1 . 2]" 1
972 2 25 ALA HA 2 42 LYS H . . 5.010 5.138 4.927 5.403 0.393 11 0 "[ . 1 . 2]" 1
973 2 41 MET H 2 43 ARG H . . 4.360 4.073 3.947 4.403 0.043 12 0 "[ . 1 . 2]" 1
974 2 41 MET HA 2 43 ARG H . . 4.790 4.342 4.135 4.542 . 0 0 "[ . 1 . 2]" 1
975 2 40 LYS HA 2 43 ARG H . . 3.900 3.638 3.162 4.166 0.266 3 0 "[ . 1 . 2]" 1
976 2 43 ARG H 2 46 GLN QG . . 5.220 4.924 4.767 5.077 . 0 0 "[ . 1 . 2]" 1
977 2 25 ALA MB 2 43 ARG H . . 4.730 4.794 4.646 5.006 0.276 20 0 "[ . 1 . 2]" 1
978 2 42 LYS QG 2 43 ARG H . . 5.240 4.295 4.105 4.518 . 0 0 "[ . 1 . 2]" 1
979 2 44 VAL H 2 47 HIS H . . 5.160 4.670 4.487 4.824 . 0 0 "[ . 1 . 2]" 1
980 2 41 MET HA 2 44 VAL H . . 4.260 3.382 3.134 3.616 . 0 0 "[ . 1 . 2]" 1
981 2 40 LYS HA 2 44 VAL H . . 4.880 4.473 4.249 4.718 . 0 0 "[ . 1 . 2]" 1
982 2 43 ARG QB 2 44 VAL H . . 3.840 2.721 2.324 3.518 . 0 0 "[ . 1 . 2]" 1
983 2 43 ARG HG3 2 44 VAL H . . 4.500 3.070 2.298 4.145 . 0 0 "[ . 1 . 2]" 1
984 2 25 ALA MB 2 44 VAL H . . 5.500 5.233 4.991 5.505 0.005 18 0 "[ . 1 . 2]" 1
985 2 44 VAL H 2 61 ILE MG . . 5.470 5.724 5.453 5.937 0.467 7 0 "[ . 1 . 2]" 1
986 2 41 MET HA 2 45 VAL H . . 4.920 3.881 3.695 4.110 . 0 0 "[ . 1 . 2]" 1
987 2 42 LYS HA 2 45 VAL H . . 4.430 3.425 3.153 3.619 . 0 0 "[ . 1 . 2]" 1
988 2 44 VAL HB 2 45 VAL H . . 4.130 3.963 2.912 4.174 0.044 2 0 "[ . 1 . 2]" 1
989 2 41 MET ME 2 45 VAL H . . 4.670 5.056 4.429 5.171 0.501 19 1 "[ . 1 . +2]" 1
990 2 43 ARG H 2 46 GLN H . . 5.500 5.003 4.915 5.139 . 0 0 "[ . 1 . 2]" 1
991 2 46 GLN H 2 46 GLN HE21 . . 5.500 3.996 3.840 4.222 . 0 0 "[ . 1 . 2]" 1
992 2 43 ARG HA 2 46 GLN H . . 4.370 4.374 4.042 4.743 0.373 18 0 "[ . 1 . 2]" 1
993 2 42 LYS HA 2 46 GLN H . . 4.260 3.639 3.326 3.930 . 0 0 "[ . 1 . 2]" 1
994 2 45 VAL HB 2 46 GLN H . . 3.950 3.381 2.659 3.959 0.009 17 0 "[ . 1 . 2]" 1
995 2 42 LYS QD 2 46 GLN HE21 . . 4.430 4.084 3.570 4.793 0.363 13 0 "[ . 1 . 2]" 1
996 2 42 LYS QG 2 46 GLN HE21 . . 3.620 3.643 2.814 4.361 0.741 7 5 "[ - .*+ 1* .* 2]" 1
997 2 47 HIS H 2 49 LYS H . . 4.620 4.317 4.174 4.452 . 0 0 "[ . 1 . 2]" 1
998 2 47 HIS H 2 50 GLY H . . 5.240 4.972 4.866 5.119 . 0 0 "[ . 1 . 2]" 1
999 2 47 HIS H 2 47 HIS HB3 . . 3.340 2.319 2.269 2.372 . 0 0 "[ . 1 . 2]" 1
1000 2 47 HIS HB2 2 48 THR H . . 4.590 4.087 4.003 4.190 . 0 0 "[ . 1 . 2]" 1
1001 2 45 VAL HA 2 48 THR H . . 4.830 3.300 3.027 3.516 . 0 0 "[ . 1 . 2]" 1
1002 2 44 VAL HA 2 48 THR H . . 5.020 4.111 3.883 4.282 . 0 0 "[ . 1 . 2]" 1
1003 2 44 VAL MG1 2 48 THR H . . 5.500 4.800 3.888 5.127 . 0 0 "[ . 1 . 2]" 1
1004 2 48 THR H 2 48 THR HG1 . . 4.260 2.265 2.051 2.520 . 0 0 "[ . 1 . 2]" 1
1005 2 48 THR H 2 50 GLY H . . 5.000 4.158 3.960 4.378 . 0 0 "[ . 1 . 2]" 1
1006 2 48 THR HG1 2 50 GLY H . . 5.020 4.991 4.431 5.532 0.512 3 1 "[ + . 1 . 2]" 1
1007 2 47 HIS HA 2 50 GLY H . . 3.920 3.662 3.448 3.804 . 0 0 "[ . 1 . 2]" 1
1008 2 46 GLN HA 2 50 GLY H . . 5.250 4.445 4.256 4.602 . 0 0 "[ . 1 . 2]" 1
1009 2 50 GLY H 2 51 CYS HA . . 5.500 5.029 4.911 5.145 . 0 0 "[ . 1 . 2]" 1
1010 2 48 THR HA 2 50 GLY H . . 4.370 4.291 3.945 4.555 0.185 12 0 "[ . 1 . 2]" 1
1011 2 50 GLY H 2 51 CYS HB3 . . 4.580 4.307 4.068 4.622 0.042 10 0 "[ . 1 . 2]" 1
1012 2 50 GLY H 2 51 CYS HB2 . . 4.580 4.477 4.191 4.928 0.348 4 0 "[ . 1 . 2]" 1
1013 2 49 LYS QB 2 50 GLY H . . 3.430 2.672 2.436 2.976 . 0 0 "[ . 1 . 2]" 1
1014 2 48 THR H 2 51 CYS H . . 5.270 5.151 4.551 5.451 0.181 15 0 "[ . 1 . 2]" 1
1015 2 48 THR HG1 2 51 CYS H . . 5.500 5.845 5.231 6.096 0.596 11 12 "[ ** . ****+ *** -*2]" 1
1016 2 47 HIS HA 2 51 CYS H . . 5.500 5.108 4.248 5.538 0.038 15 0 "[ . 1 . 2]" 1
1017 2 51 CYS H 2 54 LYS QE . . 4.270 4.405 3.720 5.044 0.774 3 5 "[ +*. - 1 ** 2]" 1
1018 2 49 LYS QB 2 51 CYS H . . 4.710 4.599 4.436 4.848 0.138 5 0 "[ . 1 . 2]" 1
1019 2 48 THR HG1 2 49 LYS H . . 4.150 2.453 1.954 3.017 . 0 0 "[ . 1 . 2]" 1
1020 2 49 LYS H 2 51 CYS H . . 4.230 4.121 3.689 4.387 0.157 15 0 "[ . 1 . 2]" 1
1021 2 48 THR HB 2 49 LYS H . . 4.000 3.878 3.722 4.037 0.037 6 0 "[ . 1 . 2]" 1
1022 2 52 LYS HA 2 55 THR H . . 4.320 3.753 3.182 4.208 . 0 0 "[ . 1 . 2]" 1
1023 2 54 LYS QE 2 55 THR H . . 4.900 4.396 3.937 4.828 . 0 0 "[ . 1 . 2]" 1
1024 2 54 LYS HG2 2 55 THR H . . 4.350 2.636 2.455 2.891 . 0 0 "[ . 1 . 2]" 1
1025 2 54 LYS HB3 2 55 THR H . . 4.150 3.980 3.763 4.113 . 0 0 "[ . 1 . 2]" 1
1026 2 54 LYS HB2 2 55 THR H . . 3.860 3.822 3.668 3.935 0.075 11 0 "[ . 1 . 2]" 1
1027 2 52 LYS HB3 2 55 THR H . . 5.350 4.876 4.301 5.241 . 0 0 "[ . 1 . 2]" 1
1028 2 54 LYS HD2 2 55 THR H . . 5.500 4.838 4.589 5.027 . 0 0 "[ . 1 . 2]" 1
1029 2 54 LYS HG3 2 55 THR H . . 4.340 2.431 2.164 2.620 . 0 0 "[ . 1 . 2]" 1
1030 2 46 GLN HA 2 49 LYS H . . 3.800 3.472 3.294 3.575 . 0 0 "[ . 1 . 2]" 1
1031 2 49 LYS H 2 50 GLY HA3 . . 5.300 5.051 4.955 5.189 . 0 0 "[ . 1 . 2]" 1
1032 2 45 VAL HA 2 49 LYS H . . 4.720 4.360 4.138 4.481 . 0 0 "[ . 1 . 2]" 1
1033 2 55 THR HB 2 56 ASN H . . 4.450 3.970 2.835 4.273 . 0 0 "[ . 1 . 2]" 1
1034 2 56 ASN QB 2 56 ASN HD22 . . 3.280 3.294 3.209 3.510 0.230 13 0 "[ . 1 . 2]" 1
1035 2 55 THR MG 2 56 ASN HD22 . . 4.790 4.538 2.728 5.214 0.424 19 0 "[ . 1 . 2]" 1
1036 2 57 GLY QA 2 58 GLY H . . 3.060 2.696 2.174 2.950 . 0 0 "[ . 1 . 2]" 1
1037 2 54 LYS HA 2 58 GLY H . . 4.370 4.431 3.519 5.057 0.687 6 2 "[ .+ 1 . -]" 1
1038 2 53 ARG HA 2 58 GLY H . . 4.900 4.305 3.994 4.705 . 0 0 "[ . 1 . 2]" 1
1039 2 53 ARG QD 2 58 GLY H . . 4.960 4.597 2.741 5.100 0.140 12 0 "[ . 1 . 2]" 1
1040 2 58 GLY H 2 59 CYS QB . . 5.230 4.099 3.496 4.426 . 0 0 "[ . 1 . 2]" 1
1041 2 56 ASN QB 2 58 GLY H . . 4.490 4.067 2.952 5.139 0.649 10 6 "[ * .* *+ -. *2]" 1
1042 2 53 ARG QG 2 58 GLY H . . 4.250 3.196 2.329 3.548 . 0 0 "[ . 1 . 2]" 1
1043 2 52 LYS HB2 2 53 ARG H . . 3.770 3.155 2.906 3.449 . 0 0 "[ . 1 . 2]" 1
1044 2 51 CYS HA 2 53 ARG H . . 3.940 3.227 3.015 3.447 . 0 0 "[ . 1 . 2]" 1
1045 2 53 ARG H 2 55 THR H . . 4.930 4.606 4.315 4.798 . 0 0 "[ . 1 . 2]" 1
1046 2 53 ARG H 2 54 LYS H . . 3.590 2.795 2.714 2.916 . 0 0 "[ . 1 . 2]" 1
1047 2 51 CYS H 2 53 ARG H . . 5.500 5.478 5.194 5.666 0.166 3 0 "[ . 1 . 2]" 1
1048 2 53 ARG H 2 54 LYS HG2 . . 4.350 4.265 4.065 4.472 0.122 11 0 "[ . 1 . 2]" 1
1049 2 54 LYS HA 2 59 CYS H . . 3.790 3.114 2.152 3.916 0.126 11 0 "[ . 1 . 2]" 1
1050 2 59 CYS H 2 62 CYS H . . 5.500 5.512 5.325 5.792 0.292 1 0 "[ . 1 . 2]" 1
1051 2 58 GLY H 2 59 CYS H . . 3.360 2.997 2.188 3.608 0.248 6 0 "[ . 1 . 2]" 1
1052 2 54 LYS HB3 2 59 CYS H . . 5.420 5.330 4.479 6.066 0.646 2 4 "[ + . 1* .- *]" 1
1053 2 54 LYS HB2 2 59 CYS H . . 5.130 5.287 4.456 5.958 0.828 2 9 "[*+ ** - 1* .* * *]" 1
1054 2 53 ARG QG 2 59 CYS H . . 3.860 3.507 2.977 3.838 . 0 0 "[ . 1 . 2]" 1
1055 2 53 ARG QD 2 54 LYS H . . 5.100 5.353 4.966 5.733 0.633 11 2 "[ . 1+ . - 2]" 1
1056 2 59 CYS HA 2 61 ILE H . . 4.870 3.841 3.544 4.282 . 0 0 "[ . 1 . 2]" 1
1057 2 61 ILE H 2 64 GLN H . . 5.440 4.870 4.689 5.064 . 0 0 "[ . 1 . 2]" 1
1058 2 59 CYS QB 2 61 ILE H . . 4.650 4.351 4.185 4.600 . 0 0 "[ . 1 . 2]" 1
1059 2 61 ILE H 2 62 CYS HB2 . . 5.230 4.652 4.509 4.752 . 0 0 "[ . 1 . 2]" 1
1060 2 60 PRO HB3 2 61 ILE H . . 4.170 4.264 4.139 4.367 0.197 11 0 "[ . 1 . 2]" 1
1061 2 60 PRO HG3 2 61 ILE H . . 3.750 4.101 3.885 4.244 0.494 1 0 "[ . 1 . 2]" 1
1062 1 21 LEU QB 2 61 ILE H . . 5.500 4.549 4.443 4.776 . 0 0 "[ . 1 . 2]" 1
1063 2 61 ILE MG 2 62 CYS H . . 3.880 3.851 3.714 4.006 0.126 9 0 "[ . 1 . 2]" 1
1064 2 61 ILE MD 2 62 CYS H . . 4.440 4.282 4.176 4.378 . 0 0 "[ . 1 . 2]" 1
1065 2 61 ILE QG 2 62 CYS H . . 4.270 3.336 3.188 3.479 . 0 0 "[ . 1 . 2]" 1
1066 2 59 CYS QB 2 62 CYS H . . 4.360 3.586 3.434 3.821 . 0 0 "[ . 1 . 2]" 1
1067 2 62 CYS H 2 64 GLN H . . 4.600 4.378 4.101 4.601 0.001 20 0 "[ . 1 . 2]" 1
1068 2 36 PRO HA 2 40 LYS H . . 4.320 4.175 3.716 4.453 0.133 20 0 "[ . 1 . 2]" 1
1069 2 60 PRO HA 2 63 LYS H . . 4.600 3.210 3.027 3.307 . 0 0 "[ . 1 . 2]" 1
1070 2 62 CYS HB2 2 63 LYS H . . 4.020 3.143 3.009 3.265 . 0 0 "[ . 1 . 2]" 1
1071 2 61 ILE MG 2 63 LYS H . . 5.400 5.191 5.071 5.354 . 0 0 "[ . 1 . 2]" 1
1072 2 63 LYS HB3 2 64 GLN H . . 4.000 2.623 2.439 2.781 . 0 0 "[ . 1 . 2]" 1
1073 2 64 GLN H 2 67 ALA MB . . 5.350 4.623 4.456 4.775 . 0 0 "[ . 1 . 2]" 1
1074 1 21 LEU HG 2 64 GLN QE . . 5.500 2.843 2.308 3.981 . 0 0 "[ . 1 . 2]" 1
1075 2 65 LEU H 2 66 ILE H . . 4.150 2.740 2.669 2.814 . 0 0 "[ . 1 . 2]" 1
1076 2 65 LEU H 2 67 ALA H . . 4.730 3.964 3.872 4.121 . 0 0 "[ . 1 . 2]" 1
1077 2 65 LEU HB3 2 66 ILE H . . 4.220 3.767 3.427 3.961 . 0 0 "[ . 1 . 2]" 1
1078 2 19 ILE MG 2 69 ALA H . . 5.060 5.358 4.862 5.860 0.800 14 5 "[ *. ** +. -]" 1
1079 2 68 LEU MD2 2 69 ALA H . . 4.860 3.647 3.588 3.727 . 0 0 "[ . 1 . 2]" 1
1080 2 67 ALA MB 2 69 ALA H . . 4.890 4.527 4.427 4.591 . 0 0 "[ . 1 . 2]" 1
1081 2 68 LEU HB3 2 69 ALA H . . 4.890 3.534 3.415 3.670 . 0 0 "[ . 1 . 2]" 1
1082 2 67 ALA H 2 69 ALA H . . 5.060 3.977 3.815 4.126 . 0 0 "[ . 1 . 2]" 1
1083 2 70 ALA H 2 71 TYR HB3 . . 5.270 4.280 4.195 4.372 . 0 0 "[ . 1 . 2]" 1
1084 2 70 ALA H 2 85 PHE HB2 . . 5.500 5.594 5.414 5.753 0.253 19 0 "[ . 1 . 2]" 1
1085 2 71 TYR H 2 89 ILE MD . . 4.780 4.674 4.579 4.849 0.069 9 0 "[ . 1 . 2]" 1
1086 2 70 ALA HA 2 73 ALA H . . 4.820 3.385 3.190 3.533 . 0 0 "[ . 1 . 2]" 1
1087 2 72 HIS HB3 2 73 ALA H . . 4.960 3.008 2.885 3.126 . 0 0 "[ . 1 . 2]" 1
1088 2 72 HIS HB2 2 73 ALA H . . 4.920 4.221 4.153 4.294 . 0 0 "[ . 1 . 2]" 1
1089 2 74 LYS HB2 2 75 HIS H . . 3.660 2.999 2.671 3.341 . 0 0 "[ . 1 . 2]" 1
1090 2 74 LYS HG3 2 75 HIS H . . 5.280 5.246 4.989 5.501 0.221 12 0 "[ . 1 . 2]" 1
1091 2 74 LYS HG2 2 75 HIS H . . 4.470 4.378 4.255 4.496 0.026 12 0 "[ . 1 . 2]" 1
1092 2 73 ALA HA 2 76 CYS H . . 3.830 2.939 2.781 3.110 . 0 0 "[ . 1 . 2]" 1
1093 2 75 HIS HB3 2 76 CYS H . . 4.460 4.085 3.907 4.327 . 0 0 "[ . 1 . 2]" 1
1094 2 75 HIS HB2 2 76 CYS H . . 4.460 3.080 2.795 3.569 . 0 0 "[ . 1 . 2]" 1
1095 2 73 ALA MB 2 76 CYS H . . 4.120 4.318 4.177 4.513 0.393 18 0 "[ . 1 . 2]" 1
1096 2 70 ALA HA 2 74 LYS H . . 4.740 4.486 4.379 4.573 . 0 0 "[ . 1 . 2]" 1
1097 2 74 LYS H 2 89 ILE MG . . 4.760 4.651 4.124 5.034 0.274 11 0 "[ . 1 . 2]" 1
1098 2 76 CYS HA 2 77 GLN H . . 3.520 2.155 2.126 2.192 . 0 0 "[ . 1 . 2]" 1
1099 2 77 GLN H 2 77 GLN QG . . 3.730 2.835 2.182 3.537 . 0 0 "[ . 1 . 2]" 1
1100 2 77 GLN H 2 77 GLN HB3 . . 3.910 3.186 2.874 3.753 . 0 0 "[ . 1 . 2]" 1
1101 2 77 GLN H 2 77 GLN HB2 . . 3.910 3.426 2.447 3.779 . 0 0 "[ . 1 . 2]" 1
1102 2 78 GLU H 2 80 LYS H . . 5.220 5.700 5.439 6.037 0.817 14 9 "[ * *.-***1* +.* 2]" 1
1103 2 78 GLU QG 2 79 ASN H . . 4.500 3.426 2.895 4.334 . 0 0 "[ . 1 . 2]" 1
1104 2 78 GLU HB3 2 79 ASN H . . 4.630 4.071 3.482 4.375 . 0 0 "[ . 1 . 2]" 1
1105 2 78 GLU HB2 2 79 ASN H . . 4.630 4.249 3.261 4.564 . 0 0 "[ . 1 . 2]" 1
1106 2 79 ASN H 2 79 ASN QD . . 4.680 2.023 1.698 2.278 . 0 0 "[ . 1 . 2]" 1
1107 2 79 ASN QD 2 80 LYS HD2 . . 5.320 3.453 2.715 4.226 . 0 0 "[ . 1 . 2]" 1
1108 2 79 ASN QD 2 80 LYS HD3 . . 5.320 3.070 2.225 3.674 . 0 0 "[ . 1 . 2]" 1
1109 2 79 ASN QD 2 80 LYS HG2 . . 5.060 3.308 1.944 4.909 . 0 0 "[ . 1 . 2]" 1
1110 2 80 LYS HB2 2 81 CYS H . . 5.070 4.230 3.749 4.509 . 0 0 "[ . 1 . 2]" 1
1111 2 81 CYS H 2 87 LEU HG . . 4.690 4.421 4.057 4.992 0.302 19 0 "[ . 1 . 2]" 1
1112 2 83 VAL H 2 86 CYS H . . 5.270 5.319 5.139 5.547 0.277 2 0 "[ . 1 . 2]" 1
1113 2 82 PRO HD2 2 83 VAL H . . 4.380 3.191 2.513 3.558 . 0 0 "[ . 1 . 2]" 1
1114 2 82 PRO HD3 2 83 VAL H . . 4.380 4.128 3.743 4.301 . 0 0 "[ . 1 . 2]" 1
1115 2 23 VAL HA 2 83 VAL H . . 5.000 4.252 3.946 4.536 . 0 0 "[ . 1 . 2]" 1
1116 2 83 VAL H 2 86 CYS HB3 . . 5.300 4.220 3.915 4.611 . 0 0 "[ . 1 . 2]" 1
1117 2 83 VAL H 2 84 PRO HD2 . . 4.920 4.951 4.879 5.031 0.111 12 0 "[ . 1 . 2]" 1
1118 2 81 CYS HB3 2 83 VAL H . . 4.840 3.709 2.876 3.951 . 0 0 "[ . 1 . 2]" 1
1119 2 85 PHE HB3 2 86 CYS H . . 4.680 3.484 3.253 3.631 . 0 0 "[ . 1 . 2]" 1
1120 2 69 ALA MB 2 86 CYS H . . 4.210 2.746 2.593 2.938 . 0 0 "[ . 1 . 2]" 1
1121 2 83 VAL MG1 2 86 CYS H . . 4.670 3.000 1.793 4.853 0.183 6 0 "[ . 1 . 2]" 1
1122 2 80 LYS H 2 81 CYS HB2 . . 3.940 4.286 4.010 4.596 0.656 8 4 "[ . + 1 - .* *]" 1
1123 2 78 GLU HB3 2 80 LYS H . . 4.340 4.145 2.876 4.708 0.368 14 0 "[ . 1 . 2]" 1
1124 2 80 LYS H 2 81 CYS HA . . 4.740 4.819 4.433 5.088 0.348 11 0 "[ . 1 . 2]" 1
1125 2 19 ILE H 2 21 SER H . . 4.840 4.101 3.985 4.216 . 0 0 "[ . 1 . 2]" 1
1126 2 21 SER H 2 23 VAL H . . 5.210 4.120 3.855 4.301 . 0 0 "[ . 1 . 2]" 1
1127 2 87 LEU H 2 88 ASN H . . 4.010 2.717 2.590 2.925 . 0 0 "[ . 1 . 2]" 1
1128 2 85 PHE HA 2 88 ASN H . . 4.440 3.548 3.226 3.863 . 0 0 "[ . 1 . 2]" 1
1129 2 87 LEU HB3 2 88 ASN H . . 3.890 3.082 2.672 3.410 . 0 0 "[ . 1 . 2]" 1
1130 2 87 LEU HB2 2 88 ASN H . . 4.070 2.762 2.488 3.037 . 0 0 "[ . 1 . 2]" 1
1131 2 88 ASN H 2 89 ILE HG13 . . 4.900 4.239 4.144 4.345 . 0 0 "[ . 1 . 2]" 1
1132 2 87 LEU QD 2 88 ASN H . . 4.070 3.950 3.826 4.119 0.049 3 0 "[ . 1 . 2]" 1
1133 2 88 ASN H 2 89 ILE MD . . 4.980 4.978 4.872 5.046 0.066 9 0 "[ . 1 . 2]" 1
1134 2 84 PRO QB 2 88 ASN HD21 . . 5.500 4.879 3.600 5.443 . 0 0 "[ . 1 . 2]" 1
1135 2 87 LEU HB3 2 88 ASN HD22 . . 4.890 4.412 4.080 4.795 . 0 0 "[ . 1 . 2]" 1
1136 2 85 PHE HB2 2 89 ILE H . . 5.500 5.800 5.650 5.983 0.483 19 0 "[ . 1 . 2]" 1
1137 2 86 CYS HB3 2 89 ILE H . . 5.500 5.658 5.531 5.760 0.260 15 0 "[ . 1 . 2]" 1
1138 2 86 CYS HB3 2 90 LYS H . . 5.500 5.964 5.745 6.137 0.637 1 9 "[+ -*. **** . **2]" 1
1139 2 88 ASN HB2 2 89 ILE H . . 4.010 2.966 2.770 3.292 . 0 0 "[ . 1 . 2]" 1
1140 2 89 ILE H 2 89 ILE HG13 . . 3.820 2.323 2.095 2.416 . 0 0 "[ . 1 . 2]" 1
1141 2 85 PHE HA 2 89 ILE H . . 4.250 4.410 4.201 4.609 0.359 19 0 "[ . 1 . 2]" 1
1142 2 90 LYS H 2 90 LYS HE3 . . 5.500 5.459 4.585 6.070 0.570 14 3 "[ * 1 +. - 2]" 1
1143 2 90 LYS H 2 90 LYS HE2 . . 5.500 5.391 5.043 5.697 0.197 20 0 "[ . 1 . 2]" 1
1144 2 88 ASN HA 2 91 GLN H . . 4.400 4.031 3.526 4.465 0.065 20 0 "[ . 1 . 2]" 1
1145 2 87 LEU HA 2 91 GLN H . . 4.020 3.955 3.354 4.492 0.472 17 0 "[ . 1 . 2]" 1
1146 2 89 ILE HA 2 91 GLN H . . 4.940 4.384 4.118 4.804 . 0 0 "[ . 1 . 2]" 1
1147 2 91 GLN H 2 91 GLN HB3 . . 3.580 3.668 3.622 3.791 0.211 5 0 "[ . 1 . 2]" 1
1148 2 91 GLN H 2 91 GLN HB2 . . 3.490 2.480 2.387 2.649 . 0 0 "[ . 1 . 2]" 1
1149 2 90 LYS QB 2 91 GLN H . . 3.750 3.790 3.600 3.963 0.213 5 0 "[ . 1 . 2]" 1
1150 2 90 LYS HG2 2 91 GLN H . . 4.170 4.503 3.684 4.985 0.815 17 7 "[- ** *1 *. + *2]" 1
1151 2 90 LYS HG3 2 91 GLN H . . 4.090 2.893 2.279 3.434 . 0 0 "[ . 1 . 2]" 1
1152 2 89 ILE HA 2 92 LYS H . . 4.670 4.128 3.500 4.400 . 0 0 "[ . 1 . 2]" 1
1153 2 91 GLN HG2 2 92 LYS H . . 5.440 4.598 4.291 5.080 . 0 0 "[ . 1 . 2]" 1
1154 2 91 GLN HG3 2 92 LYS H . . 5.440 4.699 4.167 5.055 . 0 0 "[ . 1 . 2]" 1
1155 2 91 GLN HB2 2 92 LYS H . . 3.520 2.527 2.277 2.733 . 0 0 "[ . 1 . 2]" 1
1156 2 36 PRO HD3 2 38 CYS H . . 5.500 5.794 5.612 5.950 0.450 11 0 "[ . 1 . 2]" 1
1157 2 12 ARG HG3 2 16 GLN HE22 . . 4.480 4.290 3.959 4.753 0.273 6 0 "[ . 1 . 2]" 1
1158 2 2 SER QB 2 3 ALA H . . 4.950 2.814 1.981 4.012 . 0 0 "[ . 1 . 2]" 1
1159 2 3 ALA H 2 4 THR MG . . 5.230 4.172 3.629 5.731 0.501 5 1 "[ + 1 . 2]" 1
1160 2 3 ALA H 2 4 THR HB . . 5.190 4.850 4.020 5.865 0.675 5 1 "[ + 1 . 2]" 1
1161 2 2 SER QB 2 4 THR H . . 4.460 3.729 2.623 4.635 0.175 18 0 "[ . 1 . 2]" 1
1162 2 5 GLN HB3 2 5 GLN HE21 . . 4.460 3.173 2.521 4.432 . 0 0 "[ . 1 . 2]" 1
1163 2 5 GLN HE21 2 13 LEU HG . . 4.470 4.621 3.274 5.093 0.623 15 5 "[ *.* - * + 2]" 1
1164 2 7 PRO QD 2 8 GLY H . . 3.550 3.145 2.906 3.430 . 0 0 "[ . 1 . 2]" 1
1165 2 7 PRO QD 2 9 ASP H . . 4.260 4.534 4.389 4.722 0.462 13 0 "[ . 1 . 2]" 1
1166 2 6 SER HA 2 9 ASP H . . 4.820 4.740 4.395 4.968 0.148 17 0 "[ . 1 . 2]" 1
1167 2 7 PRO HA 2 10 SER H . . 4.300 3.845 3.484 4.070 . 0 0 "[ . 1 . 2]" 1
1168 2 10 SER HA 2 12 ARG H . . 4.370 4.213 4.084 4.382 0.012 3 0 "[ . 1 . 2]" 1
1169 2 13 LEU H 2 15 ILE MG . . 4.770 4.424 4.279 4.658 . 0 0 "[ . 1 . 2]" 1
1170 2 9 ASP HA 2 13 LEU H . . 4.860 4.319 4.011 4.594 . 0 0 "[ . 1 . 2]" 1
1171 2 13 LEU HA 2 16 GLN HE22 . . 4.330 3.317 3.072 3.556 . 0 0 "[ . 1 . 2]" 1
1172 2 12 ARG QB 2 16 GLN HE22 . . 4.350 4.195 3.897 4.471 0.121 3 0 "[ . 1 . 2]" 1
1173 2 12 ARG HG2 2 16 GLN HE22 . . 4.480 2.699 2.498 3.033 . 0 0 "[ . 1 . 2]" 1
1174 2 18 ALA H 2 19 ILE QG . . 4.680 4.237 4.115 4.384 . 0 0 "[ . 1 . 2]" 1
1175 2 16 GLN HA 2 19 ILE H . . 3.970 3.307 3.202 3.419 . 0 0 "[ . 1 . 2]" 1
1176 2 15 ILE MD 2 19 ILE H . . 4.270 3.877 3.735 4.078 . 0 0 "[ . 1 . 2]" 1
1177 2 18 ALA MB 2 21 SER H . . 5.070 4.653 4.496 4.859 . 0 0 "[ . 1 . 2]" 1
1178 2 87 LEU H 2 90 LYS HG3 . . 5.470 4.625 4.340 5.354 . 0 0 "[ . 1 . 2]" 1
1179 2 19 ILE MG 2 22 LEU H . . 4.640 4.618 4.515 4.792 0.152 6 0 "[ . 1 . 2]" 1
1180 2 18 ALA MB 2 22 LEU H . . 4.980 4.828 4.766 4.914 . 0 0 "[ . 1 . 2]" 1
1181 2 21 SER HA 2 23 VAL H . . 5.340 4.558 4.220 4.734 . 0 0 "[ . 1 . 2]" 1
1182 2 23 VAL H 2 26 ALA MB . . 4.590 4.560 4.408 4.795 0.205 4 0 "[ . 1 . 2]" 1
1183 2 20 GLN HB2 2 24 HIS H . . 5.500 5.784 5.601 5.926 0.426 9 0 "[ . 1 . 2]" 1
1184 2 24 HIS H 2 27 GLN HG3 . . 5.500 5.753 5.155 6.023 0.523 9 1 "[ . +1 . 2]" 1
1185 2 22 LEU HA 2 25 ALA H . . 4.240 3.911 3.708 4.183 . 0 0 "[ . 1 . 2]" 1
1186 2 21 SER HA 2 25 ALA H . . 4.850 3.958 3.687 4.130 . 0 0 "[ . 1 . 2]" 1
1187 2 26 ALA H 2 27 GLN HG3 . . 4.460 4.596 4.211 4.768 0.308 14 0 "[ . 1 . 2]" 1
1188 2 24 HIS HA 2 26 ALA H . . 4.590 4.477 4.362 4.594 0.004 4 0 "[ . 1 . 2]" 1
1189 2 23 VAL HA 2 27 GLN QE . . 5.420 4.684 4.153 5.006 . 0 0 "[ . 1 . 2]" 1
1190 2 24 HIS HB2 2 27 GLN QE . . 5.500 4.611 4.068 5.116 . 0 0 "[ . 1 . 2]" 1
1191 2 27 GLN HG3 2 28 CYS H . . 4.290 4.489 4.323 4.597 0.307 6 0 "[ . 1 . 2]" 1
1192 2 24 HIS HA 2 28 CYS H . . 4.640 4.482 4.332 4.715 0.075 8 0 "[ . 1 . 2]" 1
1193 2 26 ALA HA 2 28 CYS H . . 4.600 4.228 4.039 4.538 . 0 0 "[ . 1 . 2]" 1
1194 2 25 ALA MB 2 28 CYS H . . 4.670 4.306 4.147 4.492 . 0 0 "[ . 1 . 2]" 1
1195 2 29 ARG H 2 42 LYS QD . . 5.150 4.426 4.071 4.903 . 0 0 "[ . 1 . 2]" 1
1196 2 33 CYS H 2 34 SER HA . . 5.460 5.328 4.983 5.549 0.089 12 0 "[ . 1 . 2]" 1
1197 2 36 PRO HG3 2 37 SER H . . 4.860 3.914 3.784 4.085 . 0 0 "[ . 1 . 2]" 1
1198 2 38 CYS H 2 39 GLN HG2 . . 4.300 4.254 4.049 4.444 0.144 18 0 "[ . 1 . 2]" 1
1199 2 35 LEU H 2 39 GLN H . . 5.150 5.311 5.106 5.538 0.388 11 0 "[ . 1 . 2]" 1
1200 2 39 GLN H 2 40 LYS QB . . 5.130 4.717 4.454 5.162 0.032 10 0 "[ . 1 . 2]" 1
1201 2 36 PRO HA 2 39 GLN H . . 4.080 3.660 3.429 3.879 . 0 0 "[ . 1 . 2]" 1
1202 2 39 GLN H 2 42 LYS QG . . 5.260 4.918 4.581 5.376 0.116 10 0 "[ . 1 . 2]" 1
1203 2 39 GLN QE 2 42 LYS QG . . 5.500 5.131 4.991 5.288 . 0 0 "[ . 1 . 2]" 1
1204 2 42 LYS QG 2 46 GLN HE22 . . 5.200 5.025 4.161 5.771 0.571 7 2 "[ . + 1 .- 2]" 1
1205 2 63 LYS H 2 64 GLN HG2 . . 5.500 4.664 3.944 5.936 0.436 1 0 "[ . 1 . 2]" 1
1206 2 41 MET H 2 42 LYS QB . . 4.680 4.660 4.477 4.797 0.117 16 0 "[ . 1 . 2]" 1
1207 2 43 ARG H 2 45 VAL H . . 4.450 4.214 4.069 4.430 . 0 0 "[ . 1 . 2]" 1
1208 2 42 LYS HA 2 44 VAL H . . 5.040 4.440 4.272 4.601 . 0 0 "[ . 1 . 2]" 1
1209 2 46 GLN HE21 2 49 LYS QE . . 4.380 4.174 3.427 4.911 0.531 15 2 "[ . - 1 + 2]" 1
1210 2 42 LYS HA 2 46 GLN HE21 . . 4.840 3.639 3.064 4.076 . 0 0 "[ . 1 . 2]" 1
1211 2 42 LYS QB 2 46 GLN HE21 . . 5.200 3.765 3.392 4.213 . 0 0 "[ . 1 . 2]" 1
1212 2 25 ALA MB 2 46 GLN HE21 . . 4.790 4.321 3.649 4.818 0.028 2 0 "[ . 1 . 2]" 1
1213 2 48 THR H 2 49 LYS HG3 . . 5.290 4.328 4.146 4.495 . 0 0 "[ . 1 . 2]" 1
1214 2 46 GLN HA 2 48 THR H . . 4.840 4.336 4.225 4.502 . 0 0 "[ . 1 . 2]" 1
1215 2 48 THR HA 2 51 CYS H . . 3.540 3.567 3.173 3.837 0.297 8 0 "[ . 1 . 2]" 1
1216 2 49 LYS HA 2 51 CYS H . . 4.170 3.978 3.760 4.444 0.274 4 0 "[ . 1 . 2]" 1
1217 2 51 CYS H 2 52 LYS HA . . 5.250 4.875 4.634 5.199 . 0 0 "[ . 1 . 2]" 1
1218 2 50 GLY HA2 2 52 LYS H . . 5.500 5.193 4.866 5.553 0.053 5 0 "[ . 1 . 2]" 1
1219 2 52 LYS H 2 53 ARG HA . . 5.500 4.940 4.794 5.025 . 0 0 "[ . 1 . 2]" 1
1220 2 53 ARG H 2 54 LYS HB3 . . 5.110 5.071 4.958 5.344 0.234 17 0 "[ . 1 . 2]" 1
1221 2 53 ARG QG 2 54 LYS H . . 4.470 3.879 2.912 4.115 . 0 0 "[ . 1 . 2]" 1
1222 2 54 LYS H 2 59 CYS QB . . 4.640 3.544 3.231 3.861 . 0 0 "[ . 1 . 2]" 1
1223 2 55 THR MG 2 56 ASN H . . 4.860 2.676 2.402 3.228 . 0 0 "[ . 1 . 2]" 1
1224 2 55 THR H 2 56 ASN H . . 4.780 2.148 1.876 2.383 . 0 0 "[ . 1 . 2]" 1
1225 2 54 LYS HA 2 57 GLY H . . 5.150 4.339 3.279 6.054 0.904 14 4 "[ . * -1 +. * 2]" 1
1226 2 55 THR HA 2 57 GLY H . . 4.040 4.006 3.453 4.911 0.871 10 2 "[ . -+ . 2]" 1
1227 2 59 CYS H 2 60 PRO QD . . 4.290 3.909 3.451 4.364 0.074 14 0 "[ . 1 . 2]" 1
1228 2 60 PRO HB2 2 61 ILE H . . 3.850 3.519 3.289 3.682 . 0 0 "[ . 1 . 2]" 1
1229 2 48 THR MG 2 62 CYS H . . 4.440 4.289 4.110 4.449 0.009 11 0 "[ . 1 . 2]" 1
1230 2 62 CYS H 2 65 LEU HG . . 5.500 4.829 4.671 5.090 . 0 0 "[ . 1 . 2]" 1
1231 2 60 PRO HA 2 62 CYS H . . 5.070 4.546 4.355 4.657 . 0 0 "[ . 1 . 2]" 1
1232 2 61 ILE HA 2 63 LYS H . . 4.700 4.126 4.006 4.240 . 0 0 "[ . 1 . 2]" 1
1233 2 59 CYS QB 2 63 LYS H . . 4.510 4.460 4.238 4.774 0.264 1 0 "[ . 1 . 2]" 1
1234 2 62 CYS HA 2 64 GLN H . . 4.560 4.418 4.143 4.593 0.033 3 0 "[ . 1 . 2]" 1
1235 2 60 PRO HA 2 64 GLN H . . 4.810 4.196 4.045 4.352 . 0 0 "[ . 1 . 2]" 1
1236 2 64 GLN H 2 65 LEU HB2 . . 4.780 5.023 4.866 5.076 0.296 11 0 "[ . 1 . 2]" 1
1237 1 28 PHE QE 2 64 GLN QE . . 4.750 3.094 2.335 3.627 . 0 0 "[ . 1 . 2]" 1
1238 2 64 GLN QB 2 65 LEU H . . 3.970 3.018 2.253 3.626 . 0 0 "[ . 1 . 2]" 1
1239 2 62 CYS HA 2 65 LEU H . . 3.880 3.255 2.960 3.426 . 0 0 "[ . 1 . 2]" 1
1240 2 65 LEU HB2 2 66 ILE H . . 4.450 2.780 2.571 2.988 . 0 0 "[ . 1 . 2]" 1
1241 2 66 ILE HG12 2 67 ALA H . . 4.970 4.588 4.392 4.710 . 0 0 "[ . 1 . 2]" 1
1242 2 66 ILE HB 2 67 ALA H . . 4.230 4.116 4.017 4.198 . 0 0 "[ . 1 . 2]" 1
1243 2 63 LYS HA 2 67 ALA H . . 4.970 4.340 4.107 4.466 . 0 0 "[ . 1 . 2]" 1
1244 2 68 LEU HG 2 69 ALA H . . 5.090 4.950 4.827 5.097 0.007 9 0 "[ . 1 . 2]" 1
1245 2 70 ALA H 2 71 TYR QD . . 5.500 5.383 5.321 5.458 . 0 0 "[ . 1 . 2]" 1
1246 2 70 ALA H 2 72 HIS HD2 . . 5.500 5.714 5.488 5.976 0.476 20 0 "[ . 1 . 2]" 1
1247 2 67 ALA HA 2 71 TYR H . . 5.100 4.072 3.943 4.201 . 0 0 "[ . 1 . 2]" 1
1248 2 69 ALA HA 2 72 HIS H . . 3.890 3.580 3.438 3.767 . 0 0 "[ . 1 . 2]" 1
1249 2 19 ILE MD 2 72 HIS H . . 3.960 3.756 3.569 4.039 0.079 14 0 "[ . 1 . 2]" 1
1250 2 70 ALA MB 2 73 ALA H . . 4.760 4.492 4.364 4.620 . 0 0 "[ . 1 . 2]" 1
1251 2 72 HIS HA 2 74 LYS H . . 5.040 4.183 4.061 4.326 . 0 0 "[ . 1 . 2]" 1
1252 2 75 HIS H 2 76 CYS HB2 . . 4.880 4.754 4.219 5.018 0.138 18 0 "[ . 1 . 2]" 1
1253 2 73 ALA HA 2 75 HIS H . . 4.230 3.792 3.630 4.031 . 0 0 "[ . 1 . 2]" 1
1254 2 72 HIS HA 2 75 HIS H . . 4.710 3.856 3.673 4.179 . 0 0 "[ . 1 . 2]" 1
1255 2 74 LYS HA 2 76 CYS H . . 4.660 4.479 4.205 4.796 0.136 11 0 "[ . 1 . 2]" 1
1256 2 75 HIS HA 2 77 GLN HE22 . . 4.180 4.207 3.312 4.987 0.807 12 4 "[ * 1 +* . -]" 1
1257 2 76 CYS HA 2 77 GLN HE22 . . 4.400 3.608 3.097 4.634 0.234 8 0 "[ . 1 . 2]" 1
1258 2 79 ASN QD 2 80 LYS HG3 . . 5.060 3.721 2.584 4.239 . 0 0 "[ . 1 . 2]" 1
1259 2 78 GLU HA 2 79 ASN QD . . 4.950 3.544 3.233 3.804 . 0 0 "[ . 1 . 2]" 1
1260 2 79 ASN HA 2 81 CYS H . . 4.690 3.796 3.428 4.590 . 0 0 "[ . 1 . 2]" 1
1261 2 81 CYS HB2 2 83 VAL H . . 4.840 4.937 4.437 5.077 0.237 8 0 "[ . 1 . 2]" 1
1262 2 81 CYS HA 2 83 VAL H . . 4.590 4.229 3.909 4.399 . 0 0 "[ . 1 . 2]" 1
1263 2 83 VAL H 2 84 PRO HD3 . . 4.980 4.792 4.678 4.936 . 0 0 "[ . 1 . 2]" 1
1264 2 85 PHE HA 2 87 LEU H . . 4.820 4.435 4.263 4.690 . 0 0 "[ . 1 . 2]" 1
1265 2 87 LEU H 2 88 ASN HB2 . . 5.020 4.915 4.641 5.072 0.052 5 0 "[ . 1 . 2]" 1
1266 2 73 ALA MB 2 90 LYS H . . 3.750 3.510 3.049 4.111 0.361 4 0 "[ . 1 . 2]" 1
1267 2 90 LYS H 2 91 GLN HG2 . . 5.500 4.786 4.020 6.036 0.536 14 1 "[ . 1 +. 2]" 1
1268 2 90 LYS H 2 91 GLN HG3 . . 5.500 5.193 4.175 5.815 0.315 2 0 "[ . 1 . 2]" 1
1269 2 86 CYS HA 2 89 ILE H . . 4.220 3.751 3.554 3.918 . 0 0 "[ . 1 . 2]" 1
1270 2 86 CYS HA 2 90 LYS H . . 4.600 4.251 3.940 4.440 . 0 0 "[ . 1 . 2]" 1
1271 2 5 GLN HE21 2 13 LEU QD . . 4.360 2.641 1.781 3.105 . 0 0 "[ . 1 . 2]" 1
1272 2 91 GLN HB2 2 91 GLN HE21 . . 4.680 4.500 4.156 4.612 . 0 0 "[ . 1 . 2]" 1
1273 2 91 GLN HB3 2 91 GLN HE22 . . 4.740 4.552 4.466 4.710 . 0 0 "[ . 1 . 2]" 1
1274 2 24 HIS HD2 2 37 SER QB . . 4.850 5.241 5.109 5.356 0.506 14 1 "[ . 1 +. 2]" 1
1275 1 24 PHE QE 2 21 SER QB . . 5.500 5.606 4.895 6.076 0.576 14 5 "[ * *. 1 +* -]" 1
1276 2 21 SER HA 2 24 HIS HB3 . . 4.400 2.447 2.184 2.707 . 0 0 "[ . 1 . 2]" 1
1277 2 39 GLN HA 2 43 ARG H . . 4.740 4.220 3.967 4.579 . 0 0 "[ . 1 . 2]" 1
1278 2 40 LYS HA 2 40 LYS QD . . 3.930 3.458 2.071 4.564 0.634 20 2 "[ . - . +]" 1
1279 2 42 LYS H 2 42 LYS QD . . 4.980 4.584 4.495 4.727 . 0 0 "[ . 1 . 2]" 1
1280 2 42 LYS HA 2 42 LYS QD . . 4.200 3.976 3.792 4.070 . 0 0 "[ . 1 . 2]" 1
1281 2 42 LYS HA 2 42 LYS QG . . 3.900 2.376 2.228 2.462 . 0 0 "[ . 1 . 2]" 1
1282 2 90 LYS H 2 90 LYS HD3 . . 4.630 4.421 3.715 5.078 0.448 20 0 "[ . 1 . 2]" 1
1283 2 90 LYS H 2 90 LYS HD2 . . 4.630 4.414 3.976 5.025 0.395 3 0 "[ . 1 . 2]" 1
1284 2 90 LYS H 2 90 LYS HG2 . . 4.080 3.445 2.901 3.593 . 0 0 "[ . 1 . 2]" 1
1285 2 63 LYS H 2 63 LYS HB3 . . 3.500 2.501 2.346 2.661 . 0 0 "[ . 1 . 2]" 1
1286 2 90 LYS QB 2 90 LYS HE3 . . 4.250 3.788 3.140 4.305 0.055 1 0 "[ . 1 . 2]" 1
1287 2 78 GLU H 2 90 LYS HE3 . . 4.680 4.628 2.523 5.141 0.461 6 0 "[ . 1 . 2]" 1
1288 2 78 GLU H 2 90 LYS HE2 . . 4.680 3.724 2.604 5.115 0.435 4 0 "[ . 1 . 2]" 1
1289 2 47 HIS HA 2 50 GLY HA3 . . 4.850 4.423 4.241 4.644 . 0 0 "[ . 1 . 2]" 1
1290 1 28 PHE HZ 2 64 GLN HG2 . . 5.040 4.007 3.118 4.461 . 0 0 "[ . 1 . 2]" 1
1291 2 64 GLN HA 2 64 GLN HG2 . . 4.010 3.291 2.377 4.247 0.237 9 0 "[ . 1 . 2]" 1
1292 2 63 LYS QD 2 64 GLN HA . . 3.490 3.105 2.660 3.528 0.038 11 0 "[ . 1 . 2]" 1
1293 2 71 TYR QD 2 72 HIS HB2 . . 5.260 3.262 3.039 3.527 . 0 0 "[ . 1 . 2]" 1
1294 2 69 ALA HA 2 72 HIS HB2 . . 4.190 3.737 3.460 3.979 . 0 0 "[ . 1 . 2]" 1
1295 2 69 ALA HA 2 72 HIS HB3 . . 4.170 2.217 2.016 2.428 . 0 0 "[ . 1 . 2]" 1
1296 2 35 LEU HA 2 36 PRO HD3 . . 3.710 2.546 2.444 2.662 . 0 0 "[ . 1 . 2]" 1
1297 2 35 LEU MD2 2 36 PRO HD2 . . 4.710 4.737 4.680 4.807 0.097 12 0 "[ . 1 . 2]" 1
1298 2 35 LEU HB3 2 36 PRO HD3 . . 4.520 4.619 4.464 4.721 0.201 5 0 "[ . 1 . 2]" 1
1299 2 35 LEU HB2 2 36 PRO HD3 . . 4.310 3.548 3.359 3.671 . 0 0 "[ . 1 . 2]" 1
1300 2 36 PRO HA 2 39 GLN HB2 . . 3.470 3.020 2.732 3.310 . 0 0 "[ . 1 . 2]" 1
1301 2 36 PRO HA 2 38 CYS H . . 4.740 4.508 4.313 4.670 . 0 0 "[ . 1 . 2]" 1
1302 2 22 LEU MD2 2 84 PRO HD2 . . 4.440 4.543 4.197 4.958 0.518 12 1 "[ . 1 + . 2]" 1
1303 2 83 VAL HA 2 84 PRO HD3 . . 4.040 2.403 2.243 2.503 . 0 0 "[ . 1 . 2]" 1
1304 2 83 VAL MG1 2 84 PRO HD3 . . 4.810 3.858 3.688 4.199 . 0 0 "[ . 1 . 2]" 1
1305 2 83 VAL HA 2 84 PRO QG . . 4.000 3.960 3.935 3.984 . 0 0 "[ . 1 . 2]" 1
1306 2 83 VAL MG1 2 84 PRO QG . . 5.330 4.091 3.487 4.895 . 0 0 "[ . 1 . 2]" 1
1307 2 22 LEU MD2 2 83 VAL HA . . 5.420 4.596 4.253 5.013 . 0 0 "[ . 1 . 2]" 1
1308 2 22 LEU HA 2 23 VAL HA . . 4.830 4.832 4.792 4.911 0.081 11 0 "[ . 1 . 2]" 1
1309 2 60 PRO HG2 2 61 ILE H . . 4.250 2.602 2.309 2.808 . 0 0 "[ . 1 . 2]" 1
1310 2 60 PRO QD 2 61 ILE QG . . 5.450 3.075 2.882 3.274 . 0 0 "[ . 1 . 2]" 1
1311 2 60 PRO QD 2 61 ILE MD . . 4.910 3.376 3.044 3.770 . 0 0 "[ . 1 . 2]" 1
1312 2 2 SER HA 2 3 ALA MB . . 4.290 4.177 3.921 4.461 0.171 2 0 "[ . 1 . 2]" 1
1313 2 3 ALA HA 2 4 THR MG . . 4.260 4.233 3.909 4.604 0.344 17 0 "[ . 1 . 2]" 1
1314 2 4 THR HB 2 5 GLN H . . 3.820 4.072 3.630 4.508 0.688 14 4 "[ . 1 -+. * *]" 1
1315 2 4 THR HA 2 4 THR HB . . 2.700 2.490 2.449 2.536 . 0 0 "[ . 1 . 2]" 1
1316 2 3 ALA MB 2 4 THR HA . . 4.410 4.363 4.269 4.456 0.046 5 0 "[ . 1 . 2]" 1
1317 2 4 THR HA 2 4 THR MG . . 3.230 3.271 3.262 3.292 0.062 9 0 "[ . 1 . 2]" 1
1318 2 4 THR MG 2 5 GLN HA . . 3.690 3.969 3.437 4.442 0.752 10 8 "[ -**.** + ** . 2]" 1
1319 2 54 LYS H 2 55 THR MG . . 4.610 4.274 3.937 5.253 0.643 20 3 "[ * . - . +]" 1
1320 2 53 ARG H 2 55 THR MG . . 5.340 5.136 4.698 6.156 0.816 2 3 "[ + . - . *]" 1
1321 2 5 GLN QG 2 10 SER H . . 4.340 4.291 2.546 5.093 0.753 10 12 "[* **** *+ **-** 2]" 1
1322 2 5 GLN HA 2 5 GLN HE21 . . 5.220 4.687 4.240 5.584 0.364 18 0 "[ . 1 . 2]" 1
1323 2 5 GLN HA 2 6 SER QB . . 4.570 4.702 4.196 5.004 0.434 2 0 "[ . 1 . 2]" 1
1324 2 5 GLN HA 2 5 GLN QG . . 3.410 2.818 2.440 3.572 0.162 8 0 "[ . 1 . 2]" 1
1325 2 5 GLN HB2 2 5 GLN QG . . 2.600 2.331 2.163 2.434 . 0 0 "[ . 1 . 2]" 1
1326 2 5 GLN HB3 2 5 GLN QG . . 2.600 2.369 2.298 2.445 . 0 0 "[ . 1 . 2]" 1
1327 2 5 GLN HE22 2 5 GLN QG . . 3.540 3.316 3.225 3.503 . 0 0 "[ . 1 . 2]" 1
1328 2 5 GLN HE21 2 5 GLN QG . . 3.060 2.297 2.174 2.820 . 0 0 "[ . 1 . 2]" 1
1329 1 24 PHE QD 2 41 MET ME . . 3.710 3.880 3.405 4.278 0.568 14 1 "[ . 1 +. 2]" 1
1330 1 24 PHE QE 2 41 MET ME . . 3.730 3.833 2.862 4.361 0.631 14 3 "[ -*. 1 +. 2]" 1
1331 1 24 PHE HZ 2 41 MET ME . . 4.150 4.425 2.986 5.032 0.882 5 12 "[* **+ *-1 **** * *2]" 1
1332 2 41 MET H 2 41 MET ME . . 5.140 5.336 3.996 5.724 0.584 14 4 "[ . -* *+. 2]" 1
1333 2 23 VAL H 2 41 MET ME . . 5.500 5.067 4.740 6.023 0.523 2 1 "[ + . 1 . 2]" 1
1334 2 21 SER H 2 41 MET ME . . 5.500 4.813 4.472 6.003 0.503 2 1 "[ + . 1 . 2]" 1
1335 2 22 LEU HA 2 41 MET ME . . 3.610 2.613 2.187 3.307 . 0 0 "[ . 1 . 2]" 1
1336 2 41 MET ME 2 65 LEU HA . . 4.650 4.299 3.955 4.934 0.284 2 0 "[ . 1 . 2]" 1
1337 2 19 ILE HA 2 41 MET ME . . 5.500 4.818 4.318 5.985 0.485 2 0 "[ . 1 . 2]" 1
1338 2 41 MET ME 2 41 MET HG2 . . 3.850 2.605 2.388 3.398 . 0 0 "[ . 1 . 2]" 1
1339 2 41 MET ME 2 41 MET HG3 . . 3.850 2.610 2.432 3.436 . 0 0 "[ . 1 . 2]" 1
1340 2 22 LEU HG 2 41 MET ME . . 3.530 4.411 4.158 5.099 1.569 11 20 [**********+-********] 1
1341 2 6 SER HA 2 6 SER QB . . 2.780 2.337 2.206 2.396 . 0 0 "[ . 1 . 2]" 1
1342 2 6 SER HA 2 7 PRO QD . . 2.830 2.208 2.083 2.352 . 0 0 "[ . 1 . 2]" 1
1343 2 5 GLN QG 2 6 SER HA . . 5.500 5.629 4.563 6.108 0.608 20 10 "[* ** * 1 ***- *+]" 1
1344 2 6 SER HA 2 7 PRO HB3 . . 5.500 5.173 5.045 5.339 . 0 0 "[ . 1 . 2]" 1
1345 2 20 GLN HB2 2 21 SER QB . . 5.020 4.674 4.144 5.007 . 0 0 "[ . 1 . 2]" 1
1346 2 6 SER QB 2 7 PRO QG . . 4.340 3.744 3.396 4.355 0.015 3 0 "[ . 1 . 2]" 1
1347 2 21 SER QB 2 41 MET ME . . 4.350 3.048 2.629 4.144 . 0 0 "[ . 1 . 2]" 1
1348 2 6 SER H 2 7 PRO QD . . 5.150 4.511 4.458 4.538 . 0 0 "[ . 1 . 2]" 1
1349 2 7 PRO HB2 2 8 GLY QA . . 3.780 3.873 3.674 4.052 0.272 12 0 "[ . 1 . 2]" 1
1350 2 7 PRO HB3 2 11 ARG QD . . 5.500 5.334 4.907 5.967 0.467 11 0 "[ . 1 . 2]" 1
1351 2 7 PRO HB2 2 11 ARG QD . . 4.530 4.120 3.763 4.578 0.048 11 0 "[ . 1 . 2]" 1
1352 2 42 LYS QG 2 45 VAL H . . 5.500 5.392 5.212 5.576 0.076 12 0 "[ . 1 . 2]" 1
1353 2 42 LYS QG 2 46 GLN H . . 5.500 5.402 5.031 5.743 0.243 7 0 "[ . 1 . 2]" 1
1354 1 21 LEU QD 2 60 PRO HG2 . . 4.250 2.726 2.203 3.109 . 0 0 "[ . 1 . 2]" 1
1355 2 60 PRO HG2 2 61 ILE QG . . 4.280 3.083 2.742 3.319 . 0 0 "[ . 1 . 2]" 1
1356 2 8 GLY QA 2 11 ARG H . . 4.490 3.894 3.704 4.059 . 0 0 "[ . 1 . 2]" 1
1357 2 8 GLY QA 2 10 SER H . . 4.830 4.341 3.941 4.652 . 0 0 "[ . 1 . 2]" 1
1358 2 7 PRO HA 2 8 GLY QA . . 4.590 4.532 4.513 4.553 . 0 0 "[ . 1 . 2]" 1
1359 2 8 GLY QA 2 11 ARG QD . . 4.430 2.807 2.220 3.296 . 0 0 "[ . 1 . 2]" 1
1360 2 8 GLY QA 2 9 ASP QB . . 4.750 4.611 4.564 4.658 . 0 0 "[ . 1 . 2]" 1
1361 2 8 GLY QA 2 11 ARG QB . . 4.470 4.104 3.900 4.298 . 0 0 "[ . 1 . 2]" 1
1362 2 8 GLY QA 2 12 ARG QB . . 4.910 4.167 4.042 4.333 . 0 0 "[ . 1 . 2]" 1
1363 2 8 GLY QA 2 11 ARG HG3 . . 4.310 3.453 3.266 3.646 . 0 0 "[ . 1 . 2]" 1
1364 2 9 ASP HA 2 11 ARG H . . 4.470 4.634 4.496 4.747 0.277 15 0 "[ . 1 . 2]" 1
1365 2 9 ASP HA 2 12 ARG H . . 4.030 3.383 3.088 3.548 . 0 0 "[ . 1 . 2]" 1
1366 2 9 ASP HA 2 10 SER HA . . 5.000 4.903 4.837 4.945 . 0 0 "[ . 1 . 2]" 1
1367 2 8 GLY QA 2 9 ASP HA . . 4.060 4.067 4.028 4.089 0.029 2 0 "[ . 1 . 2]" 1
1368 2 9 ASP HA 2 12 ARG QD . . 4.110 3.445 2.748 3.925 . 0 0 "[ . 1 . 2]" 1
1369 2 9 ASP HA 2 12 ARG QB . . 3.470 2.354 1.941 2.570 . 0 0 "[ . 1 . 2]" 1
1370 2 9 ASP HA 2 11 ARG HG3 . . 5.460 5.528 5.216 5.834 0.374 2 0 "[ . 1 . 2]" 1
1371 2 9 ASP HA 2 13 LEU QD . . 3.940 3.519 3.123 3.864 . 0 0 "[ . 1 . 2]" 1
1372 2 9 ASP QB 2 12 ARG QB . . 3.890 3.888 3.442 4.128 0.238 1 0 "[ . 1 . 2]" 1
1373 2 9 ASP QB 2 13 LEU HG . . 5.060 5.637 5.121 5.965 0.905 18 13 "[ * *-* *** ****+*2]" 1
1374 2 5 GLN QG 2 9 ASP QB . . 3.760 3.679 2.334 4.569 0.809 9 4 "[ . +1 * .-* 2]" 1
1375 2 9 ASP QB 2 12 ARG QD . . 4.540 4.502 3.459 5.051 0.511 7 1 "[ . + 1 . 2]" 1
1376 2 6 SER QB 2 9 ASP QB . . 3.670 2.826 2.248 3.806 0.136 20 0 "[ . 1 . 2]" 1
1377 2 5 GLN HA 2 9 ASP QB . . 4.720 4.405 3.468 5.136 0.416 2 0 "[ . 1 . 2]" 1
1378 2 5 GLN HE21 2 9 ASP QB . . 5.160 3.868 2.189 5.580 0.420 17 0 "[ . 1 . 2]" 1
1379 2 9 ASP QB 2 11 ARG H . . 4.790 4.847 4.683 5.037 0.247 18 0 "[ . 1 . 2]" 1
1380 2 5 GLN HE21 2 10 SER HA . . 4.680 3.935 1.770 4.952 0.272 1 0 "[ . 1 . 2]" 1
1381 2 9 ASP QB 2 10 SER HA . . 4.270 3.897 3.766 4.079 . 0 0 "[ . 1 . 2]" 1
1382 2 5 GLN QG 2 10 SER HA . . 4.450 3.796 2.353 5.031 0.581 10 1 "[ . + . 2]" 1
1383 2 5 GLN HB3 2 10 SER HA . . 4.630 4.098 2.978 5.146 0.516 18 1 "[ . 1 . + 2]" 1
1384 2 14 SER HA 2 17 ARG QB . . 4.690 2.932 2.571 3.330 . 0 0 "[ . 1 . 2]" 1
1385 2 14 SER HA 2 17 ARG QG . . 3.890 3.257 2.410 3.720 . 0 0 "[ . 1 . 2]" 1
1386 2 5 GLN HB2 2 10 SER HA . . 4.630 3.963 3.119 5.140 0.510 2 1 "[ + . 1 . 2]" 1
1387 2 10 SER HA 2 13 LEU HB2 . . 4.340 3.757 3.301 4.032 . 0 0 "[ . 1 . 2]" 1
1388 2 13 LEU HB2 2 14 SER HA . . 4.690 4.265 4.121 4.485 . 0 0 "[ . 1 . 2]" 1
1389 2 37 SER QB 2 38 CYS HB3 . . 5.500 4.720 4.466 4.904 . 0 0 "[ . 1 . 2]" 1
1390 2 11 ARG HA 2 11 ARG QD . . 4.570 4.452 4.307 4.655 0.085 5 0 "[ . 1 . 2]" 1
1391 2 12 ARG QB 2 12 ARG QD . . 2.710 2.328 2.135 2.494 . 0 0 "[ . 1 . 2]" 1
1392 2 11 ARG QB 2 11 ARG QD . . 2.730 2.272 2.145 2.448 . 0 0 "[ . 1 . 2]" 1
1393 2 12 ARG QB 2 15 ILE MG . . 4.510 3.872 3.587 4.211 . 0 0 "[ . 1 . 2]" 1
1394 2 24 HIS HD2 2 35 LEU HG . . 5.500 5.590 5.074 5.905 0.405 10 0 "[ . 1 . 2]" 1
1395 2 35 LEU HA 2 35 LEU HG . . 3.860 3.704 3.682 3.722 . 0 0 "[ . 1 . 2]" 1
1396 2 35 LEU HG 2 36 PRO HD2 . . 4.880 4.044 3.988 4.117 . 0 0 "[ . 1 . 2]" 1
1397 2 35 LEU HG 2 38 CYS HA . . 4.920 4.214 4.031 4.369 . 0 0 "[ . 1 . 2]" 1
1398 2 11 ARG HA 2 11 ARG HG2 . . 4.080 3.835 3.791 3.884 . 0 0 "[ . 1 . 2]" 1
1399 2 35 LEU HG 2 36 PRO HD3 . . 4.950 5.118 5.056 5.169 0.219 7 0 "[ . 1 . 2]" 1
1400 2 9 ASP H 2 11 ARG HG2 . . 4.130 4.439 4.312 4.643 0.513 17 1 "[ . 1 . + 2]" 1
1401 2 12 ARG HA 2 12 ARG HG2 . . 3.700 3.035 2.823 3.235 . 0 0 "[ . 1 . 2]" 1
1402 2 12 ARG HA 2 12 ARG HG3 . . 3.700 2.727 2.605 2.927 . 0 0 "[ . 1 . 2]" 1
1403 2 12 ARG QD 2 13 LEU QD . . 3.040 3.153 2.483 3.566 0.526 17 2 "[ . 1 .-+ 2]" 1
1404 2 12 ARG QD 2 13 LEU H . . 3.680 4.432 3.974 4.766 1.086 16 18 "[******* ** ****+*-**]" 1
1405 2 12 ARG H 2 12 ARG QD . . 4.610 4.709 4.400 4.913 0.303 9 0 "[ . 1 . 2]" 1
1406 2 12 ARG QD 2 16 GLN HE22 . . 4.330 3.202 2.592 3.778 . 0 0 "[ . 1 . 2]" 1
1407 2 12 ARG HA 2 12 ARG QD . . 4.050 4.237 4.104 4.325 0.275 8 0 "[ . 1 . 2]" 1
1408 2 12 ARG HA 2 13 LEU HA . . 4.960 4.808 4.744 4.864 . 0 0 "[ . 1 . 2]" 1
1409 2 13 LEU HA 2 16 GLN HG3 . . 4.750 3.746 3.579 3.851 . 0 0 "[ . 1 . 2]" 1
1410 2 13 LEU HA 2 16 GLN HG2 . . 4.900 5.016 4.870 5.166 0.266 15 0 "[ . 1 . 2]" 1
1411 2 13 LEU H 2 13 LEU HB3 . . 3.620 3.696 3.538 3.727 0.107 15 0 "[ . 1 . 2]" 1
1412 2 87 LEU H 2 87 LEU HG . . 4.290 3.997 3.662 4.334 0.044 13 0 "[ . 1 . 2]" 1
1413 2 13 LEU H 2 13 LEU HG . . 3.710 4.124 4.055 4.187 0.477 17 0 "[ . 1 . 2]" 1
1414 2 13 LEU H 2 13 LEU QD . . 3.140 2.007 1.867 2.181 . 0 0 "[ . 1 . 2]" 1
1415 2 12 ARG QB 2 13 LEU HA . . 4.190 4.199 3.966 4.450 0.260 17 0 "[ . 1 . 2]" 1
1416 2 13 LEU HB2 2 13 LEU QD . . 2.710 2.209 2.148 2.233 . 0 0 "[ . 1 . 2]" 1
1417 2 13 LEU HB3 2 14 SER QB . . 5.340 4.994 4.608 5.451 0.111 15 0 "[ . 1 . 2]" 1
1418 2 13 LEU HB2 2 14 SER QB . . 4.380 4.180 3.975 4.617 0.237 8 0 "[ . 1 . 2]" 1
1419 2 9 ASP QB 2 13 LEU QD . . 3.290 2.949 2.574 3.266 . 0 0 "[ . 1 . 2]" 1
1420 2 71 TYR HA 2 74 LYS HB2 . . 3.770 3.554 3.357 3.896 0.126 11 0 "[ . 1 . 2]" 1
1421 1 29 PRO QG 2 15 ILE HA . . 4.000 4.225 3.652 4.994 0.994 9 5 "[ ** - +1 . *]" 1
1422 2 11 ARG HA 2 15 ILE HB . . 4.820 4.643 4.195 4.934 0.114 7 0 "[ . 1 . 2]" 1
1423 2 12 ARG HA 2 15 ILE HB . . 4.340 3.774 3.174 4.018 . 0 0 "[ . 1 . 2]" 1
1424 2 14 SER QB 2 15 ILE HB . . 4.910 4.217 3.754 4.941 0.031 16 0 "[ . 1 . 2]" 1
1425 2 15 ILE H 2 15 ILE HB . . 3.630 2.407 2.330 2.485 . 0 0 "[ . 1 . 2]" 1
1426 2 15 ILE MG 2 16 GLN H . . 3.340 2.342 2.287 2.435 . 0 0 "[ . 1 . 2]" 1
1427 2 15 ILE H 2 15 ILE MD . . 4.530 4.466 4.442 4.489 . 0 0 "[ . 1 . 2]" 1
1428 2 15 ILE MD 2 16 GLN H . . 4.780 4.027 3.909 4.156 . 0 0 "[ . 1 . 2]" 1
1429 2 15 ILE MG 2 19 ILE MD . . 2.820 3.129 2.843 3.292 0.472 16 0 "[ . 1 . 2]" 1
1430 2 15 ILE MG 2 19 ILE QG . . 4.070 3.937 3.730 4.062 . 0 0 "[ . 1 . 2]" 1
1431 2 15 ILE QG 2 15 ILE MG . . 3.300 2.454 2.399 2.500 . 0 0 "[ . 1 . 2]" 1
1432 2 15 ILE MG 2 16 GLN QB . . 3.840 3.807 3.740 3.873 0.033 5 0 "[ . 1 . 2]" 1
1433 1 29 PRO QG 2 15 ILE MG . . 3.660 3.958 3.564 4.681 1.021 4 6 "[ +** *1 - . *]" 1
1434 2 12 ARG QD 2 15 ILE MG . . 5.090 4.934 4.644 5.191 0.101 14 0 "[ . 1 . 2]" 1
1435 2 15 ILE HA 2 15 ILE MG . . 3.280 3.269 3.253 3.279 . 0 0 "[ . 1 . 2]" 1
1436 2 13 LEU HA 2 15 ILE MG . . 4.570 4.522 4.411 4.659 0.089 8 0 "[ . 1 . 2]" 1
1437 2 12 ARG HA 2 15 ILE MG . . 3.890 2.107 1.928 2.475 . 0 0 "[ . 1 . 2]" 1
1438 2 15 ILE MG 2 16 GLN HA . . 4.170 3.293 3.230 3.355 . 0 0 "[ . 1 . 2]" 1
1439 2 15 ILE MG 2 71 TYR QD . . 4.050 3.967 3.672 4.339 0.289 4 0 "[ . 1 . 2]" 1
1440 2 15 ILE MG 2 19 ILE H . . 4.810 5.004 4.884 5.072 0.262 16 0 "[ . 1 . 2]" 1
1441 1 30 LEU H 2 15 ILE MD . . 4.510 4.698 4.239 5.043 0.533 20 1 "[ . 1 . +]" 1
1442 2 15 ILE MD 2 68 LEU HA . . 3.690 2.484 2.136 2.785 . 0 0 "[ . 1 . 2]" 1
1443 2 15 ILE MD 2 16 GLN HA . . 3.790 3.741 3.568 3.970 0.180 17 0 "[ . 1 . 2]" 1
1444 2 15 ILE HA 2 15 ILE MD . . 3.460 2.982 2.728 3.156 . 0 0 "[ . 1 . 2]" 1
1445 2 15 ILE MD 2 16 GLN HG2 . . 5.500 4.856 4.563 5.236 . 0 0 "[ . 1 . 2]" 1
1446 2 15 ILE MD 2 68 LEU HG . . 4.020 3.677 3.187 4.094 0.074 18 0 "[ . 1 . 2]" 1
1447 1 30 LEU HG 2 15 ILE MD . . 3.870 3.519 3.000 3.883 0.013 7 0 "[ . 1 . 2]" 1
1448 2 15 ILE MD 2 68 LEU MD1 . . 3.970 1.867 1.786 1.916 . 0 0 "[ . 1 . 2]" 1
1449 2 15 ILE MD 2 19 ILE QG . . 4.020 2.488 2.346 2.680 . 0 0 "[ . 1 . 2]" 1
1450 2 20 GLN HA 2 23 VAL H . . 4.080 3.519 3.371 3.699 . 0 0 "[ . 1 . 2]" 1
1451 2 20 GLN HA 2 20 GLN HE22 . . 5.500 5.980 5.923 6.057 0.557 20 5 "[ .* 1- * * +]" 1
1452 2 20 GLN HA 2 20 GLN QG . . 3.220 2.442 2.395 2.483 . 0 0 "[ . 1 . 2]" 1
1453 2 20 GLN H 2 20 GLN QG . . 3.260 2.307 2.182 2.378 . 0 0 "[ . 1 . 2]" 1
1454 2 19 ILE H 2 20 GLN QG . . 4.690 4.302 4.173 4.403 . 0 0 "[ . 1 . 2]" 1
1455 2 20 GLN HE22 2 20 GLN QG . . 3.580 3.232 3.219 3.243 . 0 0 "[ . 1 . 2]" 1
1456 2 19 ILE MG 2 20 GLN QG . . 4.210 3.799 3.541 3.997 . 0 0 "[ . 1 . 2]" 1
1457 2 15 ILE MG 2 16 GLN HG3 . . 4.090 2.676 2.526 2.839 . 0 0 "[ . 1 . 2]" 1
1458 2 19 ILE H 2 20 GLN HB2 . . 5.500 4.776 4.717 4.885 . 0 0 "[ . 1 . 2]" 1
1459 2 20 GLN HB2 2 23 VAL H . . 5.500 5.763 5.519 5.904 0.404 4 0 "[ . 1 . 2]" 1
1460 2 16 GLN QB 2 19 ILE H . . 5.430 4.767 4.686 4.872 . 0 0 "[ . 1 . 2]" 1
1461 2 20 GLN HB3 2 23 VAL H . . 5.500 5.589 5.348 5.741 0.241 4 0 "[ . 1 . 2]" 1
1462 2 17 ARG HA 2 20 GLN HE21 . . 5.500 4.972 3.826 5.732 0.232 6 0 "[ . 1 . 2]" 1
1463 2 17 ARG HA 2 17 ARG QD . . 4.140 4.118 4.041 4.269 0.129 15 0 "[ . 1 . 2]" 1
1464 2 17 ARG HA 2 17 ARG QG . . 3.380 2.465 2.378 2.566 . 0 0 "[ . 1 . 2]" 1
1465 2 14 SER QB 2 17 ARG QG . . 5.050 4.938 4.156 5.389 0.339 8 0 "[ . 1 . 2]" 1
1466 2 17 ARG H 2 17 ARG QB . . 3.540 2.469 2.368 2.610 . 0 0 "[ . 1 . 2]" 1
1467 2 17 ARG QB 2 17 ARG QD . . 3.310 2.246 2.143 2.443 . 0 0 "[ . 1 . 2]" 1
1468 2 18 ALA HA 2 20 GLN H . . 5.030 4.482 4.328 4.796 . 0 0 "[ . 1 . 2]" 1
1469 2 18 ALA HA 2 22 LEU H . . 5.360 4.370 4.294 4.496 . 0 0 "[ . 1 . 2]" 1
1470 2 17 ARG QB 2 18 ALA HA . . 5.030 4.019 3.795 4.145 . 0 0 "[ . 1 . 2]" 1
1471 2 15 ILE MD 2 18 ALA MB . . 3.710 3.224 2.786 3.554 . 0 0 "[ . 1 . 2]" 1
1472 2 18 ALA MB 2 68 LEU MD2 . . 3.180 3.066 2.695 3.390 0.210 18 0 "[ . 1 . 2]" 1
1473 1 27 MET ME 2 18 ALA MB . . 3.100 2.303 2.073 3.466 0.366 14 0 "[ . 1 . 2]" 1
1474 1 27 MET QG 2 18 ALA MB . . 3.970 2.621 2.175 3.327 . 0 0 "[ . 1 . 2]" 1
1475 2 15 ILE HA 2 18 ALA MB . . 3.420 2.743 2.575 2.886 . 0 0 "[ . 1 . 2]" 1
1476 1 28 PHE QD 2 18 ALA MB . . 3.500 1.928 1.747 2.130 . 0 0 "[ . 1 . 2]" 1
1477 2 18 ALA MB 2 19 ILE H . . 3.500 2.473 2.368 2.591 . 0 0 "[ . 1 . 2]" 1
1478 2 19 ILE HA 2 19 ILE QG . . 4.000 2.517 2.474 2.574 . 0 0 "[ . 1 . 2]" 1
1479 2 18 ALA MB 2 19 ILE HA . . 4.010 3.926 3.814 3.997 . 0 0 "[ . 1 . 2]" 1
1480 2 19 ILE HA 2 68 LEU MD1 . . 4.820 4.666 4.003 5.083 0.263 7 0 "[ . 1 . 2]" 1
1481 2 18 ALA H 2 19 ILE HB . . 5.210 4.975 4.816 5.134 . 0 0 "[ . 1 . 2]" 1
1482 2 16 GLN HA 2 19 ILE HB . . 4.130 2.790 2.648 2.956 . 0 0 "[ . 1 . 2]" 1
1483 2 18 ALA MB 2 19 ILE HB . . 4.810 4.661 4.528 4.850 0.040 11 0 "[ . 1 . 2]" 1
1484 2 15 ILE MG 2 19 ILE HB . . 5.500 5.309 5.053 5.581 0.081 11 0 "[ . 1 . 2]" 1
1485 2 15 ILE MD 2 19 ILE HB . . 5.500 4.616 4.434 4.823 . 0 0 "[ . 1 . 2]" 1
1486 2 19 ILE QG 2 20 GLN H . . 4.770 4.008 3.873 4.089 . 0 0 "[ . 1 . 2]" 1
1487 2 16 GLN HA 2 19 ILE QG . . 4.720 2.972 2.544 3.166 . 0 0 "[ . 1 . 2]" 1
1488 2 19 ILE H 2 19 ILE MG . . 4.060 3.844 3.822 3.877 . 0 0 "[ . 1 . 2]" 1
1489 2 19 ILE MG 2 23 VAL H . . 4.350 3.888 3.739 4.045 . 0 0 "[ . 1 . 2]" 1
1490 2 19 ILE MG 2 20 GLN H . . 3.690 3.568 3.398 3.675 . 0 0 "[ . 1 . 2]" 1
1491 2 19 ILE MG 2 72 HIS H . . 5.310 5.067 4.889 5.315 0.005 14 0 "[ . 1 . 2]" 1
1492 2 19 ILE MG 2 72 HIS HE1 . . 5.500 3.878 3.472 4.414 . 0 0 "[ . 1 . 2]" 1
1493 2 19 ILE MG 2 72 HIS HD2 . . 4.190 4.008 3.738 4.308 0.118 10 0 "[ . 1 . 2]" 1
1494 2 19 ILE MG 2 20 GLN HE21 . . 5.500 5.763 5.122 6.018 0.518 19 2 "[ . - 1 . +2]" 1
1495 2 19 ILE MG 2 72 HIS HA . . 4.680 4.571 4.321 4.749 0.069 10 0 "[ . 1 . 2]" 1
1496 2 19 ILE MG 2 68 LEU HA . . 5.380 5.421 4.949 5.834 0.454 14 0 "[ . 1 . 2]" 1
1497 2 19 ILE MG 2 20 GLN HA . . 3.740 3.588 3.389 3.742 0.002 7 0 "[ . 1 . 2]" 1
1498 2 19 ILE HA 2 19 ILE MG . . 3.370 2.478 2.445 2.498 . 0 0 "[ . 1 . 2]" 1
1499 2 19 ILE MG 2 72 HIS HB2 . . 3.830 2.800 2.535 2.953 . 0 0 "[ . 1 . 2]" 1
1500 2 19 ILE MD 2 19 ILE MG . . 2.810 2.015 1.971 2.048 . 0 0 "[ . 1 . 2]" 1
1501 2 19 ILE MG 2 83 VAL MG2 . . 4.300 3.398 2.673 4.023 . 0 0 "[ . 1 . 2]" 1
1502 2 19 ILE MG 2 83 VAL MG1 . . 4.300 4.149 3.333 4.814 0.514 14 1 "[ . 1 +. 2]" 1
1503 2 19 ILE MD 2 73 ALA H . . 5.500 5.451 5.334 5.663 0.163 6 0 "[ . 1 . 2]" 1
1504 2 19 ILE H 2 19 ILE MD . . 3.540 3.546 3.475 3.595 0.055 15 0 "[ . 1 . 2]" 1
1505 2 19 ILE MD 2 20 GLN H . . 4.930 4.573 4.447 4.736 . 0 0 "[ . 1 . 2]" 1
1506 2 16 GLN HE21 2 19 ILE MD . . 5.500 5.895 5.685 6.071 0.571 14 6 "[ -*.* * * +. 2]" 1
1507 2 19 ILE MD 2 71 TYR QD . . 3.580 2.251 2.021 2.496 . 0 0 "[ . 1 . 2]" 1
1508 2 19 ILE MD 2 68 LEU HA . . 4.420 3.763 3.403 4.301 . 0 0 "[ . 1 . 2]" 1
1509 2 16 GLN HA 2 19 ILE MD . . 3.430 2.174 1.840 2.513 . 0 0 "[ . 1 . 2]" 1
1510 2 19 ILE HA 2 19 ILE MD . . 4.080 3.922 3.889 3.953 . 0 0 "[ . 1 . 2]" 1
1511 2 19 ILE MD 2 72 HIS HB2 . . 3.420 1.842 1.738 2.056 . 0 0 "[ . 1 . 2]" 1
1512 2 19 ILE HB 2 19 ILE MD . . 3.210 2.437 2.417 2.456 . 0 0 "[ . 1 . 2]" 1
1513 2 18 ALA MB 2 19 ILE MD . . 4.260 4.356 4.243 4.590 0.330 11 0 "[ . 1 . 2]" 1
1514 2 15 ILE MD 2 19 ILE MD . . 3.510 2.361 2.209 2.629 . 0 0 "[ . 1 . 2]" 1
1515 2 16 GLN QB 2 19 ILE MD . . 4.550 3.878 3.557 4.258 . 0 0 "[ . 1 . 2]" 1
1516 2 16 GLN QB 2 17 ARG QG . . 3.820 3.460 3.132 3.856 0.036 20 0 "[ . 1 . 2]" 1
1517 2 16 GLN H 2 16 GLN HG2 . . 3.880 3.705 3.580 3.838 . 0 0 "[ . 1 . 2]" 1
1518 2 16 GLN HA 2 16 GLN HG2 . . 3.030 2.564 2.527 2.624 . 0 0 "[ . 1 . 2]" 1
1519 2 15 ILE MG 2 16 GLN HG2 . . 4.150 3.596 3.390 3.818 . 0 0 "[ . 1 . 2]" 1
1520 2 16 GLN HG2 2 19 ILE MD . . 3.690 3.142 2.810 3.447 . 0 0 "[ . 1 . 2]" 1
1521 2 20 GLN HA 2 21 SER HA . . 5.310 4.801 4.779 4.842 . 0 0 "[ . 1 . 2]" 1
1522 2 21 SER HA 2 22 LEU HA . . 5.500 4.874 4.834 4.916 . 0 0 "[ . 1 . 2]" 1
1523 2 6 SER QB 2 8 GLY H . . 4.470 3.269 2.858 3.745 . 0 0 "[ . 1 . 2]" 1
1524 2 22 LEU HA 2 22 LEU MD1 . . 4.270 2.235 2.166 2.308 . 0 0 "[ . 1 . 2]" 1
1525 2 22 LEU MD1 2 83 VAL HA . . 5.420 4.281 3.803 4.815 . 0 0 "[ . 1 . 2]" 1
1526 2 22 LEU MD1 2 84 PRO HD2 . . 4.440 3.832 3.263 4.498 0.058 18 0 "[ . 1 . 2]" 1
1527 2 22 LEU MD1 2 65 LEU HB3 . . 5.070 2.823 2.423 3.152 . 0 0 "[ . 1 . 2]" 1
1528 2 87 LEU QD 2 91 GLN HE21 . . 3.940 2.512 1.748 3.616 . 0 0 "[ . 1 . 2]" 1
1529 2 23 VAL MG2 2 24 HIS H . . 4.060 2.881 2.242 3.961 . 0 0 "[ . 1 . 2]" 1
1530 2 23 VAL H 2 23 VAL MG2 . . 3.950 2.289 2.198 2.522 . 0 0 "[ . 1 . 2]" 1
1531 2 22 LEU MD2 2 85 PHE QD . . 3.650 2.889 2.462 3.151 . 0 0 "[ . 1 . 2]" 1
1532 2 23 VAL HA 2 23 VAL MG2 . . 3.380 2.956 2.322 3.276 . 0 0 "[ . 1 . 2]" 1
1533 2 23 VAL H 2 23 VAL HB . . 3.760 3.225 2.244 3.708 . 0 0 "[ . 1 . 2]" 1
1534 2 23 VAL HB 2 24 HIS H . . 4.060 3.487 2.522 4.040 . 0 0 "[ . 1 . 2]" 1
1535 2 20 GLN HA 2 23 VAL HB . . 4.810 3.996 2.233 5.033 0.223 17 0 "[ . 1 . 2]" 1
1536 2 23 VAL HA 2 23 VAL MG1 . . 3.380 2.510 2.433 2.719 . 0 0 "[ . 1 . 2]" 1
1537 2 23 VAL H 2 23 VAL MG1 . . 3.950 2.770 2.186 3.782 . 0 0 "[ . 1 . 2]" 1
1538 2 26 ALA H 2 45 VAL MG1 . . 4.250 3.389 3.019 3.732 . 0 0 "[ . 1 . 2]" 1
1539 2 23 VAL MG1 2 83 VAL H . . 5.500 3.799 3.188 4.656 . 0 0 "[ . 1 . 2]" 1
1540 2 23 VAL H 2 24 HIS HA . . 5.440 5.167 5.119 5.226 . 0 0 "[ . 1 . 2]" 1
1541 2 24 HIS HA 2 27 GLN HG3 . . 4.480 4.675 3.984 5.032 0.552 17 2 "[ . 1 - + 2]" 1
1542 2 24 HIS HA 2 27 GLN HB2 . . 4.100 3.386 3.106 3.658 . 0 0 "[ . 1 . 2]" 1
1543 2 24 HIS HB3 2 25 ALA HA . . 4.500 4.295 4.144 4.414 . 0 0 "[ . 1 . 2]" 1
1544 2 25 ALA HA 2 28 CYS QB . . 4.140 2.007 1.808 2.433 . 0 0 "[ . 1 . 2]" 1
1545 2 25 ALA MB 2 45 VAL MG1 . . 3.390 2.527 1.885 3.207 . 0 0 "[ . 1 . 2]" 1
1546 2 25 ALA MB 2 41 MET HB3 . . 3.390 2.003 1.821 2.319 . 0 0 "[ . 1 . 2]" 1
1547 2 25 ALA MB 2 42 LYS QG . . 3.510 2.280 1.894 2.735 . 0 0 "[ . 1 . 2]" 1
1548 2 25 ALA MB 2 41 MET HG2 . . 3.570 3.113 2.283 4.346 0.776 19 3 "[ . 1 .* +-]" 1
1549 2 25 ALA MB 2 41 MET HG3 . . 3.570 2.621 1.806 3.494 . 0 0 "[ . 1 . 2]" 1
1550 2 25 ALA MB 2 41 MET HB2 . . 3.390 3.423 3.027 3.660 0.270 11 0 "[ . 1 . 2]" 1
1551 2 25 ALA MB 2 42 LYS HA . . 3.430 2.247 2.018 2.564 . 0 0 "[ . 1 . 2]" 1
1552 2 25 ALA MB 2 41 MET HA . . 4.140 3.990 3.810 4.154 0.014 18 0 "[ . 1 . 2]" 1
1553 2 25 ALA MB 2 27 GLN H . . 4.770 4.657 4.530 4.790 0.020 14 0 "[ . 1 . 2]" 1
1554 2 25 ALA H 2 25 ALA MB . . 3.330 2.216 2.189 2.241 . 0 0 "[ . 1 . 2]" 1
1555 2 25 ALA MB 2 45 VAL H . . 4.350 4.104 3.893 4.516 0.166 18 0 "[ . 1 . 2]" 1
1556 2 25 ALA MB 2 41 MET H . . 4.170 4.271 4.119 4.436 0.266 1 0 "[ . 1 . 2]" 1
1557 2 25 ALA MB 2 26 ALA H . . 3.230 2.810 2.692 2.886 . 0 0 "[ . 1 . 2]" 1
1558 2 23 VAL HA 2 26 ALA HA . . 5.190 5.358 5.029 5.732 0.542 8 1 "[ . + 1 . 2]" 1
1559 2 26 ALA HA 2 45 VAL HA . . 5.500 5.686 5.326 5.975 0.475 7 0 "[ . 1 . 2]" 1
1560 2 26 ALA HA 2 83 VAL HA . . 5.500 5.430 5.046 5.721 0.221 17 0 "[ . 1 . 2]" 1
1561 2 26 ALA HA 2 46 GLN QG . . 5.500 5.551 4.680 6.030 0.530 2 4 "[ + .* 1- * 2]" 1
1562 2 26 ALA HA 2 42 LYS QG . . 5.500 5.493 4.775 5.864 0.364 12 0 "[ . 1 . 2]" 1
1563 2 26 ALA HA 2 27 GLN HG3 . . 5.280 5.211 4.972 5.431 0.151 20 0 "[ . 1 . 2]" 1
1564 2 26 ALA HA 2 82 PRO HB2 . . 5.500 4.913 4.026 6.007 0.507 8 1 "[ . + 1 . 2]" 1
1565 2 26 ALA MB 2 82 PRO HB2 . . 3.390 2.119 1.787 2.864 . 0 0 "[ . 1 . 2]" 1
1566 2 23 VAL HA 2 26 ALA MB . . 3.510 2.523 2.253 2.869 . 0 0 "[ . 1 . 2]" 1
1567 2 26 ALA MB 2 83 VAL HA . . 3.480 2.979 2.649 3.240 . 0 0 "[ . 1 . 2]" 1
1568 2 26 ALA MB 2 84 PRO HD2 . . 4.020 3.844 3.247 4.278 0.258 18 0 "[ . 1 . 2]" 1
1569 2 26 ALA MB 2 27 GLN H . . 3.530 2.599 2.490 2.784 . 0 0 "[ . 1 . 2]" 1
1570 2 26 ALA MB 2 83 VAL H . . 4.370 3.931 3.298 4.297 . 0 0 "[ . 1 . 2]" 1
1571 2 26 ALA H 2 27 GLN HA . . 5.500 5.349 5.301 5.412 . 0 0 "[ . 1 . 2]" 1
1572 2 35 LEU HA 2 39 GLN H . . 5.500 5.684 5.370 5.938 0.438 12 0 "[ . 1 . 2]" 1
1573 2 27 GLN HA 2 27 GLN QE . . 5.050 4.482 4.426 4.743 . 0 0 "[ . 1 . 2]" 1
1574 2 27 GLN HA 2 27 GLN HG2 . . 3.800 2.708 2.655 2.779 . 0 0 "[ . 1 . 2]" 1
1575 2 27 GLN HA 2 27 GLN HG3 . . 3.450 2.952 2.846 3.157 . 0 0 "[ . 1 . 2]" 1
1576 2 27 GLN H 2 27 GLN HG2 . . 3.650 3.796 3.627 3.930 0.280 15 0 "[ . 1 . 2]" 1
1577 2 27 GLN HG3 2 82 PRO HB2 . . 3.590 2.770 2.418 3.170 . 0 0 "[ . 1 . 2]" 1
1578 2 26 ALA MB 2 27 GLN HG3 . . 4.160 3.053 2.811 3.321 . 0 0 "[ . 1 . 2]" 1
1579 2 26 ALA H 2 27 GLN HB2 . . 5.500 4.817 4.707 4.921 . 0 0 "[ . 1 . 2]" 1
1580 2 27 GLN H 2 27 GLN HB3 . . 3.870 3.620 3.595 3.664 . 0 0 "[ . 1 . 2]" 1
1581 2 26 ALA MB 2 27 GLN HB2 . . 4.770 4.433 4.278 4.691 . 0 0 "[ . 1 . 2]" 1
1582 2 28 CYS HA 2 29 ARG QD . . 4.620 3.416 3.170 4.579 . 0 0 "[ . 1 . 2]" 1
1583 2 27 GLN QE 2 28 CYS QB . . 5.500 4.552 4.232 4.793 . 0 0 "[ . 1 . 2]" 1
1584 1 24 PHE QB 2 64 GLN QB . . 4.530 3.550 2.751 3.990 . 0 0 "[ . 1 . 2]" 1
1585 2 24 HIS HB3 2 28 CYS QB . . 5.500 4.568 4.384 4.706 . 0 0 "[ . 1 . 2]" 1
1586 2 28 CYS QB 2 42 LYS HE3 . . 5.500 5.753 5.405 5.960 0.460 19 0 "[ . 1 . 2]" 1
1587 2 28 CYS QB 2 29 ARG QD . . 5.500 4.741 4.454 5.675 0.175 15 0 "[ . 1 . 2]" 1
1588 2 28 CYS QB 2 38 CYS HB2 . . 5.500 5.424 5.220 5.542 0.042 10 0 "[ . 1 . 2]" 1
1589 2 28 CYS QB 2 42 LYS HE2 . . 5.500 5.196 4.411 5.751 0.251 3 0 "[ . 1 . 2]" 1
1590 2 29 ARG H 2 29 ARG QD . . 4.160 2.191 1.748 3.988 . 0 0 "[ . 1 . 2]" 1
1591 2 28 CYS HA 2 29 ARG HA . . 4.630 4.478 4.415 4.650 0.020 17 0 "[ . 1 . 2]" 1
1592 2 29 ARG HA 2 42 LYS QD . . 3.260 2.730 2.025 3.465 0.205 6 0 "[ . 1 . 2]" 1
1593 2 29 ARG HA 2 29 ARG HG2 . . 4.190 3.745 3.650 3.821 . 0 0 "[ . 1 . 2]" 1
1594 2 29 ARG QD 2 30 ASN H . . 4.590 4.078 2.918 5.095 0.505 15 1 "[ . 1 + 2]" 1
1595 2 29 ARG HA 2 29 ARG QD . . 3.960 3.568 3.163 4.430 0.470 15 0 "[ . 1 . 2]" 1
1596 2 29 ARG QB 2 29 ARG QD . . 3.010 2.520 2.269 2.736 . 0 0 "[ . 1 . 2]" 1
1597 2 11 ARG QD 2 11 ARG HG2 . . 2.610 2.290 2.175 2.398 . 0 0 "[ . 1 . 2]" 1
1598 2 29 ARG HA 2 29 ARG HG3 . . 4.190 3.090 2.515 4.324 0.134 19 0 "[ . 1 . 2]" 1
1599 2 32 ASN HB3 2 33 CYS H . . 4.810 3.837 3.515 4.319 . 0 0 "[ . 1 . 2]" 1
1600 2 30 ASN QB 2 31 ALA MB . . 4.300 4.367 4.063 4.572 0.272 9 0 "[ . 1 . 2]" 1
1601 2 31 ALA HA 2 33 CYS H . . 5.150 3.901 3.478 4.354 . 0 0 "[ . 1 . 2]" 1
1602 2 30 ASN QB 2 31 ALA HA . . 4.710 4.595 4.338 4.838 0.128 15 0 "[ . 1 . 2]" 1
1603 2 31 ALA MB 2 32 ASN QD . . 3.800 3.392 3.007 3.868 0.068 8 0 "[ . 1 . 2]" 1
1604 2 30 ASN HA 2 31 ALA MB . . 4.500 3.973 3.876 4.083 . 0 0 "[ . 1 . 2]" 1
1605 2 31 ALA MB 2 32 ASN HA . . 4.800 4.100 3.995 4.274 . 0 0 "[ . 1 . 2]" 1
1606 2 32 ASN HB2 2 33 CYS HA . . 4.930 4.698 4.468 5.001 0.071 1 0 "[ . 1 . 2]" 1
1607 2 32 ASN HB3 2 33 CYS HA . . 5.030 4.826 4.503 5.990 0.960 8 1 "[ . + 1 . 2]" 1
1608 2 31 ALA MB 2 32 ASN HB2 . . 5.250 5.315 5.039 5.582 0.332 9 0 "[ . 1 . 2]" 1
1609 2 32 ASN H 2 33 CYS HA . . 5.400 5.318 5.186 5.432 0.032 1 0 "[ . 1 . 2]" 1
1610 2 33 CYS HA 2 35 LEU HB3 . . 5.030 5.391 4.768 5.774 0.744 3 5 "[ + .* 1 * . - *2]" 1
1611 2 30 ASN QD 2 33 CYS HB3 . . 4.670 3.504 2.095 4.591 . 0 0 "[ . 1 . 2]" 1
1612 2 34 SER HA 2 39 GLN HG2 . . 4.480 4.043 3.210 4.822 0.342 12 0 "[ . 1 . 2]" 1
1613 2 34 SER HA 2 39 GLN HG3 . . 4.880 4.370 3.543 4.875 . 0 0 "[ . 1 . 2]" 1
1614 2 34 SER HA 2 35 LEU HB3 . . 5.500 5.680 5.526 5.776 0.276 11 0 "[ . 1 . 2]" 1
1615 2 34 SER HA 2 35 LEU HG . . 5.500 5.719 5.081 6.087 0.587 5 4 "[ +* 1* -. 2]" 1
1616 2 34 SER HB2 2 39 GLN QE . . 5.500 4.488 2.293 5.643 0.143 18 0 "[ . 1 . 2]" 1
1617 2 34 SER HB3 2 39 GLN QE . . 5.500 4.407 2.818 5.322 . 0 0 "[ . 1 . 2]" 1
1618 2 54 LYS HB2 2 55 THR HA . . 4.780 4.780 4.612 4.964 0.184 7 0 "[ . 1 . 2]" 1
1619 2 35 LEU HA 2 35 LEU MD1 . . 4.020 4.083 4.015 4.125 0.105 2 0 "[ . 1 . 2]" 1
1620 2 35 LEU H 2 35 LEU MD1 . . 4.120 4.152 4.094 4.210 0.090 6 0 "[ . 1 . 2]" 1
1621 2 35 LEU HA 2 35 LEU MD2 . . 4.020 3.806 3.743 3.882 . 0 0 "[ . 1 . 2]" 1
1622 2 35 LEU HB2 2 39 GLN H . . 5.500 5.822 5.683 5.958 0.458 17 0 "[ . 1 . 2]" 1
1623 2 35 LEU HB3 2 38 CYS H . . 4.710 4.882 4.816 5.003 0.293 19 0 "[ . 1 . 2]" 1
1624 2 35 LEU HB2 2 36 PRO HD2 . . 4.270 2.045 1.920 2.139 . 0 0 "[ . 1 . 2]" 1
1625 2 35 LEU HB2 2 38 CYS HB2 . . 5.050 5.211 4.899 5.393 0.343 4 0 "[ . 1 . 2]" 1
1626 2 35 LEU HB3 2 38 CYS HB2 . . 4.770 5.086 4.704 5.256 0.486 5 0 "[ . 1 . 2]" 1
1627 2 35 LEU HB3 2 38 CYS HB3 . . 4.740 4.953 4.608 5.092 0.352 5 0 "[ . 1 . 2]" 1
1628 2 35 LEU HB2 2 38 CYS HB3 . . 4.950 5.069 4.783 5.225 0.275 5 0 "[ . 1 . 2]" 1
1629 2 35 LEU HB2 2 36 PRO HG2 . . 4.740 3.808 3.592 4.026 . 0 0 "[ . 1 . 2]" 1
1630 2 35 LEU HB3 2 36 PRO HG2 . . 5.500 5.512 5.320 5.701 0.201 10 0 "[ . 1 . 2]" 1
1631 2 35 LEU HB3 2 35 LEU MD1 . . 3.310 2.761 2.684 2.873 . 0 0 "[ . 1 . 2]" 1
1632 2 35 LEU H 2 35 LEU MD2 . . 4.120 1.915 1.781 2.083 . 0 0 "[ . 1 . 2]" 1
1633 2 35 LEU MD2 2 38 CYS H . . 4.060 3.398 3.259 3.675 . 0 0 "[ . 1 . 2]" 1
1634 2 24 HIS HD2 2 35 LEU MD2 . . 4.420 4.207 3.904 4.562 0.142 14 0 "[ . 1 . 2]" 1
1635 2 35 LEU MD2 2 39 GLN H . . 4.620 4.655 4.396 5.030 0.410 19 0 "[ . 1 . 2]" 1
1636 2 35 LEU MD2 2 38 CYS HA . . 4.100 4.217 3.953 4.453 0.353 10 0 "[ . 1 . 2]" 1
1637 2 35 LEU MD2 2 38 CYS HB2 . . 3.860 2.109 2.001 2.257 . 0 0 "[ . 1 . 2]" 1
1638 2 35 LEU MD2 2 38 CYS HB3 . . 3.830 2.654 2.428 2.974 . 0 0 "[ . 1 . 2]" 1
1639 2 35 LEU HB3 2 35 LEU MD2 . . 3.310 2.263 2.234 2.293 . 0 0 "[ . 1 . 2]" 1
1640 2 35 LEU HB2 2 35 LEU MD2 . . 3.130 3.179 3.139 3.200 0.070 9 0 "[ . 1 . 2]" 1
1641 2 35 LEU MD1 2 39 GLN H . . 4.620 4.806 4.447 5.100 0.480 2 0 "[ . 1 . 2]" 1
1642 2 35 LEU MD1 2 38 CYS H . . 4.060 2.678 2.294 3.034 . 0 0 "[ . 1 . 2]" 1
1643 2 24 HIS HD2 2 35 LEU MD1 . . 4.420 4.595 3.997 4.996 0.576 9 3 "[ *. - +1 . 2]" 1
1644 2 35 LEU MD1 2 36 PRO HD2 . . 4.710 3.445 3.165 3.623 . 0 0 "[ . 1 . 2]" 1
1645 2 35 LEU MD1 2 38 CYS HA . . 4.100 4.133 3.681 4.486 0.386 7 0 "[ . 1 . 2]" 1
1646 2 35 LEU MD1 2 38 CYS HB2 . . 3.860 2.947 2.434 3.501 . 0 0 "[ . 1 . 2]" 1
1647 2 35 LEU MD1 2 38 CYS HB3 . . 3.830 3.785 3.352 4.218 0.388 17 0 "[ . 1 . 2]" 1
1648 2 35 LEU HB2 2 35 LEU MD1 . . 3.130 2.230 2.191 2.255 . 0 0 "[ . 1 . 2]" 1
1649 2 35 LEU HB3 2 36 PRO HD2 . . 4.450 3.506 3.416 3.609 . 0 0 "[ . 1 . 2]" 1
1650 2 35 LEU HA 2 36 PRO HD2 . . 3.720 2.412 2.270 2.603 . 0 0 "[ . 1 . 2]" 1
1651 2 35 LEU H 2 36 PRO HD2 . . 5.070 4.849 4.791 4.922 . 0 0 "[ . 1 . 2]" 1
1652 2 13 LEU HA 2 16 GLN QB . . 3.930 2.697 2.517 2.902 . 0 0 "[ . 1 . 2]" 1
1653 2 38 CYS HA 2 42 LYS H . . 4.930 3.921 3.548 4.211 . 0 0 "[ . 1 . 2]" 1
1654 2 25 ALA MB 2 38 CYS HA . . 3.690 3.398 2.920 3.762 0.072 4 0 "[ . 1 . 2]" 1
1655 2 24 HIS HD2 2 38 CYS HB3 . . 4.930 4.617 4.370 4.845 . 0 0 "[ . 1 . 2]" 1
1656 2 24 HIS HD2 2 38 CYS HB2 . . 4.520 3.158 2.818 3.478 . 0 0 "[ . 1 . 2]" 1
1657 2 35 LEU HG 2 38 CYS HB2 . . 4.060 2.631 2.224 2.871 . 0 0 "[ . 1 . 2]" 1
1658 2 38 CYS HB2 2 42 LYS QG . . 5.500 4.824 4.472 5.410 . 0 0 "[ . 1 . 2]" 1
1659 2 38 CYS HB3 2 42 LYS QG . . 5.500 4.641 4.366 5.216 . 0 0 "[ . 1 . 2]" 1
1660 2 54 LYS HG2 2 62 CYS HB2 . . 5.500 5.095 4.756 5.382 . 0 0 "[ . 1 . 2]" 1
1661 2 35 LEU HG 2 38 CYS HB3 . . 4.060 2.517 2.323 2.743 . 0 0 "[ . 1 . 2]" 1
1662 2 83 VAL HB 2 86 CYS HB2 . . 4.510 3.040 2.248 3.974 . 0 0 "[ . 1 . 2]" 1
1663 2 83 VAL HB 2 86 CYS HB3 . . 4.600 3.071 2.127 4.254 . 0 0 "[ . 1 . 2]" 1
1664 2 39 GLN HB2 2 42 LYS H . . 5.500 5.626 5.421 5.842 0.342 1 0 "[ . 1 . 2]" 1
1665 2 39 GLN HA 2 39 GLN HG2 . . 3.540 3.094 2.903 3.336 . 0 0 "[ . 1 . 2]" 1
1666 2 39 GLN HA 2 39 GLN HG3 . . 4.030 3.775 3.706 3.866 . 0 0 "[ . 1 . 2]" 1
1667 2 39 GLN H 2 39 GLN HG2 . . 3.290 2.233 2.126 2.421 . 0 0 "[ . 1 . 2]" 1
1668 2 39 GLN H 2 39 GLN HG3 . . 3.250 3.632 3.580 3.688 0.438 7 0 "[ . 1 . 2]" 1
1669 2 39 GLN HG2 2 40 LYS H . . 4.430 4.275 3.958 4.504 0.074 7 0 "[ . 1 . 2]" 1
1670 2 39 GLN HG3 2 40 LYS H . . 4.690 4.859 4.610 5.004 0.314 7 0 "[ . 1 . 2]" 1
1671 2 63 LYS H 2 64 GLN HG3 . . 5.500 4.710 3.967 5.756 0.256 11 0 "[ . 1 . 2]" 1
1672 2 12 ARG QD 2 16 GLN HG2 . . 5.500 5.467 4.892 6.012 0.512 3 1 "[ + . 1 . 2]" 1
1673 2 16 GLN QB 2 16 GLN HG2 . . 2.580 2.355 2.337 2.369 . 0 0 "[ . 1 . 2]" 1
1674 2 91 GLN HB2 2 91 GLN HG2 . . 2.950 2.689 2.468 3.035 0.085 14 0 "[ . 1 . 2]" 1
1675 2 16 GLN QB 2 17 ARG H . . 3.130 2.708 2.617 2.845 . 0 0 "[ . 1 . 2]" 1
1676 2 39 GLN HB3 2 40 LYS H . . 3.500 3.552 3.396 3.637 0.137 11 0 "[ . 1 . 2]" 1
1677 2 40 LYS HA 2 41 MET HA . . 5.120 4.731 4.680 4.782 . 0 0 "[ . 1 . 2]" 1
1678 2 40 LYS HA 2 43 ARG QB . . 3.600 2.730 2.219 4.177 0.577 12 1 "[ . 1 + . 2]" 1
1679 2 40 LYS HG3 2 41 MET H . . 4.840 4.419 2.252 5.110 0.270 1 0 "[ . 1 . 2]" 1
1680 2 40 LYS QD 2 41 MET H . . 5.120 4.963 4.408 5.501 0.381 8 0 "[ . 1 . 2]" 1
1681 2 74 LYS HB3 2 74 LYS QE . . 4.110 4.124 4.060 4.352 0.242 10 0 "[ . 1 . 2]" 1
1682 1 24 PHE HZ 2 40 LYS HG2 . . 5.500 5.601 4.916 6.153 0.653 10 4 "[ .*- +* . 2]" 1
1683 1 24 PHE HZ 2 40 LYS HG3 . . 5.500 5.503 3.508 6.145 0.645 17 4 "[ . *1 *.-+ 2]" 1
1684 2 40 LYS HA 2 40 LYS HG2 . . 3.920 2.942 2.426 3.899 . 0 0 "[ . 1 . 2]" 1
1685 2 40 LYS HA 2 40 LYS HG3 . . 3.920 3.509 2.744 3.882 . 0 0 "[ . 1 . 2]" 1
1686 2 63 LYS QD 2 64 GLN H . . 3.880 3.555 3.137 3.952 0.072 11 0 "[ . 1 . 2]" 1
1687 1 24 PHE QE 2 40 LYS QD . . 5.500 4.640 3.510 5.715 0.215 7 0 "[ . 1 . 2]" 1
1688 1 24 PHE HZ 2 40 LYS QD . . 5.500 5.243 4.495 6.015 0.515 9 1 "[ . +1 . 2]" 1
1689 2 49 LYS QE 2 84 PRO HD3 . . 3.990 3.502 2.612 4.301 0.311 19 0 "[ . 1 . 2]" 1
1690 1 24 PHE HZ 2 41 MET HA . . 4.620 3.117 2.786 3.622 . 0 0 "[ . 1 . 2]" 1
1691 2 41 MET HA 2 41 MET ME . . 4.440 3.505 1.958 3.854 . 0 0 "[ . 1 . 2]" 1
1692 2 42 LYS HA 2 46 GLN QG . . 4.680 3.261 2.780 3.733 . 0 0 "[ . 1 . 2]" 1
1693 2 42 LYS HA 2 45 VAL MG1 . . 3.630 2.903 1.722 3.804 0.174 13 0 "[ . 1 . 2]" 1
1694 2 39 GLN HA 2 42 LYS QB . . 3.750 2.916 2.427 3.368 . 0 0 "[ . 1 . 2]" 1
1695 2 42 LYS QB 2 42 LYS HE3 . . 4.760 2.237 1.948 3.010 . 0 0 "[ . 1 . 2]" 1
1696 2 42 LYS QB 2 42 LYS HE2 . . 4.760 3.237 2.970 3.694 . 0 0 "[ . 1 . 2]" 1
1697 2 39 GLN HA 2 42 LYS QD . . 4.760 4.600 4.212 5.051 0.291 10 0 "[ . 1 . 2]" 1
1698 2 39 GLN HA 2 42 LYS QG . . 4.540 3.785 3.252 4.510 . 0 0 "[ . 1 . 2]" 1
1699 2 28 CYS QB 2 42 LYS QG . . 4.690 3.372 2.951 3.972 . 0 0 "[ . 1 . 2]" 1
1700 2 42 LYS QG 2 45 VAL MG1 . . 5.500 3.928 2.999 4.913 . 0 0 "[ . 1 . 2]" 1
1701 2 42 LYS QG 2 45 VAL MG2 . . 5.500 4.539 3.416 5.245 . 0 0 "[ . 1 . 2]" 1
1702 2 43 ARG QD 2 44 VAL H . . 4.440 4.293 3.547 5.014 0.574 11 1 "[ . 1+ . 2]" 1
1703 2 12 ARG QD 2 16 GLN HE21 . . 3.760 3.540 3.082 3.987 0.227 13 0 "[ . 1 . 2]" 1
1704 2 43 ARG HA 2 43 ARG QD . . 4.310 3.124 2.408 4.551 0.241 8 0 "[ . 1 . 2]" 1
1705 2 43 ARG QB 2 43 ARG QD . . 3.180 2.612 2.286 2.935 . 0 0 "[ . 1 . 2]" 1
1706 2 43 ARG HG2 2 44 VAL H . . 4.500 3.858 2.445 4.350 . 0 0 "[ . 1 . 2]" 1
1707 2 28 CYS H 2 42 LYS QG . . 5.500 4.647 4.474 4.847 . 0 0 "[ . 1 . 2]" 1
1708 2 25 ALA HA 2 42 LYS QG . . 3.720 2.716 2.409 3.038 . 0 0 "[ . 1 . 2]" 1
1709 2 44 VAL HA 2 47 HIS HA . . 5.360 4.935 4.741 5.179 . 0 0 "[ . 1 . 2]" 1
1710 2 44 VAL HA 2 47 HIS HB3 . . 4.410 2.015 1.844 2.203 . 0 0 "[ . 1 . 2]" 1
1711 2 43 ARG QB 2 44 VAL HA . . 5.500 4.435 4.212 4.752 . 0 0 "[ . 1 . 2]" 1
1712 2 44 VAL HA 2 46 GLN HB2 . . 5.500 5.661 5.351 5.927 0.427 10 0 "[ . 1 . 2]" 1
1713 2 44 VAL HA 2 48 THR MG . . 4.570 3.839 3.702 3.944 . 0 0 "[ . 1 . 2]" 1
1714 1 24 PHE QD 2 44 VAL HB . . 5.480 4.887 4.425 5.516 0.036 7 0 "[ . 1 . 2]" 1
1715 2 41 MET HA 2 44 VAL HB . . 4.910 3.999 2.992 4.419 . 0 0 "[ . 1 . 2]" 1
1716 2 44 VAL HB 2 48 THR MG . . 5.500 4.759 4.219 4.992 . 0 0 "[ . 1 . 2]" 1
1717 2 44 VAL HB 2 61 ILE HB . . 5.500 5.824 5.293 6.115 0.615 11 6 "[ * . 1+- ** *]" 1
1718 2 44 VAL MG2 2 47 HIS H . . 5.500 4.792 4.579 5.122 . 0 0 "[ . 1 . 2]" 1
1719 2 44 VAL H 2 44 VAL MG2 . . 3.990 3.659 2.065 3.857 . 0 0 "[ . 1 . 2]" 1
1720 1 24 PHE QE 2 44 VAL MG2 . . 3.610 2.281 1.754 3.132 . 0 0 "[ . 1 . 2]" 1
1721 2 44 VAL MG2 2 47 HIS HD2 . . 5.060 2.841 2.492 4.552 . 0 0 "[ . 1 . 2]" 1
1722 2 44 VAL HA 2 44 VAL MG2 . . 3.350 2.327 2.273 2.445 . 0 0 "[ . 1 . 2]" 1
1723 2 44 VAL MG2 2 47 HIS HB3 . . 5.500 3.321 3.065 3.994 . 0 0 "[ . 1 . 2]" 1
1724 2 44 VAL MG2 2 61 ILE MG . . 3.620 2.058 1.868 2.686 . 0 0 "[ . 1 . 2]" 1
1725 2 44 VAL H 2 45 VAL MG2 . . 5.500 4.928 4.024 5.921 0.421 10 0 "[ . 1 . 2]" 1
1726 1 24 PHE QD 2 44 VAL MG1 . . 3.740 3.867 3.670 4.299 0.559 10 1 "[ . + . 2]" 1
1727 1 24 PHE QE 2 44 VAL MG1 . . 3.610 2.579 2.114 2.904 . 0 0 "[ . 1 . 2]" 1
1728 2 44 VAL HA 2 44 VAL MG1 . . 3.350 3.180 2.412 3.274 . 0 0 "[ . 1 . 2]" 1
1729 2 45 VAL HA 2 85 PHE HZ . . 5.500 5.320 3.932 6.013 0.513 3 1 "[ + . 1 . 2]" 1
1730 2 45 VAL HA 2 48 THR HB . . 5.130 4.644 4.369 4.887 . 0 0 "[ . 1 . 2]" 1
1731 2 44 VAL HB 2 45 VAL HA . . 5.500 5.593 4.523 5.830 0.330 19 0 "[ . 1 . 2]" 1
1732 2 41 MET ME 2 45 VAL HA . . 5.500 5.187 4.842 5.865 0.365 11 0 "[ . 1 . 2]" 1
1733 2 45 VAL HA 2 84 PRO QG . . 5.500 5.177 4.748 5.659 0.159 12 0 "[ . 1 . 2]" 1
1734 2 45 VAL HA 2 45 VAL MG2 . . 3.240 2.470 2.283 3.274 0.034 7 0 "[ . 1 . 2]" 1
1735 2 83 VAL HB 2 86 CYS H . . 4.590 3.137 2.956 3.420 . 0 0 "[ . 1 . 2]" 1
1736 2 26 ALA HA 2 45 VAL HB . . 4.470 4.339 3.188 4.792 0.322 10 0 "[ . 1 . 2]" 1
1737 2 83 VAL HB 2 84 PRO HD3 . . 4.950 4.814 4.203 5.181 0.231 11 0 "[ . 1 . 2]" 1
1738 2 45 VAL HB 2 46 GLN HA . . 5.500 5.144 4.647 5.790 0.290 5 0 "[ . 1 . 2]" 1
1739 2 69 ALA HA 2 83 VAL HB . . 5.500 5.060 4.718 5.401 . 0 0 "[ . 1 . 2]" 1
1740 2 83 VAL HB 2 84 PRO HA . . 5.500 5.327 5.228 5.413 . 0 0 "[ . 1 . 2]" 1
1741 2 42 LYS HA 2 45 VAL HB . . 4.350 3.303 2.122 5.031 0.681 12 3 "[ . - 1 +* . 2]" 1
1742 2 83 VAL HB 2 85 PHE HB2 . . 4.650 4.152 3.289 4.676 0.026 3 0 "[ . 1 . 2]" 1
1743 2 45 VAL HB 2 46 GLN QG . . 4.960 4.347 3.462 5.067 0.107 17 0 "[ . 1 . 2]" 1
1744 2 69 ALA MB 2 83 VAL HB . . 4.370 3.634 3.138 3.945 . 0 0 "[ . 1 . 2]" 1
1745 2 26 ALA MB 2 45 VAL HB . . 5.330 4.548 3.294 5.069 . 0 0 "[ . 1 . 2]" 1
1746 2 42 LYS H 2 45 VAL MG2 . . 5.390 5.144 4.119 6.171 0.781 17 8 "[ ** * * - +* *]" 1
1747 2 44 VAL MG1 2 47 HIS H . . 5.500 5.008 4.627 5.149 . 0 0 "[ . 1 . 2]" 1
1748 2 42 LYS HA 2 45 VAL MG2 . . 3.630 3.613 1.909 4.538 0.908 18 8 "[ ** * * - *+ *]" 1
1749 2 25 ALA MB 2 45 VAL MG2 . . 3.390 2.396 1.848 3.425 0.035 18 0 "[ . 1 . 2]" 1
1750 2 45 VAL HA 2 45 VAL MG1 . . 3.240 2.877 2.446 3.289 0.049 18 0 "[ . 1 . 2]" 1
1751 2 46 GLN H 2 46 GLN HB3 . . 3.800 3.651 3.633 3.674 . 0 0 "[ . 1 . 2]" 1
1752 2 46 GLN H 2 46 GLN HB2 . . 3.340 2.582 2.499 2.650 . 0 0 "[ . 1 . 2]" 1
1753 2 46 GLN HA 2 49 LYS QE . . 4.200 3.681 3.117 4.184 . 0 0 "[ . 1 . 2]" 1
1754 2 46 GLN H 2 46 GLN QG . . 2.990 2.283 2.203 2.387 . 0 0 "[ . 1 . 2]" 1
1755 2 46 GLN HE21 2 46 GLN QG . . 3.040 2.179 2.161 2.203 . 0 0 "[ . 1 . 2]" 1
1756 2 46 GLN HE22 2 46 GLN QG . . 3.330 3.232 3.219 3.244 . 0 0 "[ . 1 . 2]" 1
1757 2 43 ARG HA 2 46 GLN QG . . 4.160 4.271 3.789 4.823 0.663 20 3 "[ . - . * +]" 1
1758 2 16 GLN HA 2 16 GLN HG3 . . 2.980 3.010 2.910 3.084 0.104 5 0 "[ . 1 . 2]" 1
1759 2 46 GLN HA 2 46 GLN QG . . 3.280 3.090 3.027 3.160 . 0 0 "[ . 1 . 2]" 1
1760 2 46 GLN HB2 2 46 GLN QG . . 2.680 2.180 2.174 2.185 . 0 0 "[ . 1 . 2]" 1
1761 2 91 GLN HB2 2 91 GLN HG3 . . 2.950 2.414 2.359 2.510 . 0 0 "[ . 1 . 2]" 1
1762 2 42 LYS QD 2 46 GLN QG . . 4.100 4.324 3.893 4.818 0.718 7 5 "[ * . + 1- * * 2]" 1
1763 2 46 GLN QG 2 49 LYS QD . . 4.480 4.169 3.905 4.572 0.092 8 0 "[ . 1 . 2]" 1
1764 2 26 ALA MB 2 27 GLN HG2 . . 3.920 4.367 4.125 4.672 0.752 20 7 "[ . - ** * *. *+]" 1
1765 2 46 GLN HA 2 46 GLN HB3 . . 3.000 2.472 2.430 2.507 . 0 0 "[ . 1 . 2]" 1
1766 2 19 ILE MD 2 72 HIS HB3 . . 4.740 3.205 3.009 3.475 . 0 0 "[ . 1 . 2]" 1
1767 2 47 HIS HA 2 47 HIS HD2 . . 4.880 4.673 4.595 4.735 . 0 0 "[ . 1 . 2]" 1
1768 2 44 VAL MG1 2 47 HIS HB3 . . 5.500 4.422 3.167 4.696 . 0 0 "[ . 1 . 2]" 1
1769 2 44 VAL HA 2 47 HIS HB2 . . 4.510 3.141 2.922 3.408 . 0 0 "[ . 1 . 2]" 1
1770 2 48 THR H 2 48 THR HB . . 4.120 3.678 3.649 3.712 . 0 0 "[ . 1 . 2]" 1
1771 2 47 HIS HD2 2 48 THR HB . . 5.120 4.665 4.470 4.875 . 0 0 "[ . 1 . 2]" 1
1772 2 48 THR HB 2 51 CYS H . . 5.500 5.214 4.994 5.401 . 0 0 "[ . 1 . 2]" 1
1773 2 48 THR HB 2 84 PRO QG . . 4.520 4.067 3.141 4.518 . 0 0 "[ . 1 . 2]" 1
1774 2 48 THR HB 2 65 LEU HB3 . . 5.410 5.670 5.355 6.022 0.612 11 2 "[ - 1+ . 2]" 1
1775 2 48 THR HB 2 65 LEU HG . . 5.500 6.087 5.865 6.179 0.679 2 19 "[*+****** **-********]" 1
1776 2 47 HIS HE1 2 48 THR HA . . 5.040 5.478 5.292 5.686 0.646 1 4 "[+ * . * 1 . - 2]" 1
1777 2 47 HIS HD2 2 48 THR HA . . 4.280 3.307 3.084 3.477 . 0 0 "[ . 1 . 2]" 1
1778 2 48 THR HA 2 51 CYS HB3 . . 4.530 2.057 1.836 2.385 . 0 0 "[ . 1 . 2]" 1
1779 2 48 THR HA 2 51 CYS HB2 . . 4.530 3.249 2.693 3.992 . 0 0 "[ . 1 . 2]" 1
1780 2 48 THR HA 2 49 LYS QB . . 5.500 5.433 5.387 5.502 0.002 8 0 "[ . 1 . 2]" 1
1781 2 48 THR HA 2 54 LYS HD2 . . 5.090 4.916 4.298 5.924 0.834 15 2 "[ . 1 + - 2]" 1
1782 2 48 THR HA 2 48 THR MG . . 3.610 2.433 2.392 2.453 . 0 0 "[ . 1 . 2]" 1
1783 2 45 VAL H 2 48 THR MG . . 4.780 4.354 4.140 4.605 . 0 0 "[ . 1 . 2]" 1
1784 2 46 GLN H 2 48 THR MG . . 5.470 5.042 4.806 5.387 . 0 0 "[ . 1 . 2]" 1
1785 2 48 THR H 2 48 THR MG . . 3.550 2.242 2.153 2.371 . 0 0 "[ . 1 . 2]" 1
1786 2 48 THR MG 2 85 PHE HZ . . 3.450 2.006 1.754 2.197 . 0 0 "[ . 1 . 2]" 1
1787 2 48 THR MG 2 50 GLY H . . 5.500 5.474 5.191 5.691 0.191 3 0 "[ . 1 . 2]" 1
1788 2 48 THR MG 2 85 PHE QD . . 5.500 4.512 4.364 4.769 . 0 0 "[ . 1 . 2]" 1
1789 2 47 HIS H 2 48 THR MG . . 4.890 4.378 4.234 4.523 . 0 0 "[ . 1 . 2]" 1
1790 2 48 THR MG 2 65 LEU H . . 5.450 5.006 4.829 5.206 . 0 0 "[ . 1 . 2]" 1
1791 2 45 VAL HA 2 48 THR MG . . 3.680 2.869 2.406 3.329 . 0 0 "[ . 1 . 2]" 1
1792 2 44 VAL MG1 2 48 THR MG . . 4.080 3.399 2.314 3.833 . 0 0 "[ . 1 . 2]" 1
1793 2 48 THR MG 2 61 ILE MG . . 4.130 4.210 3.954 4.494 0.364 1 0 "[ . 1 . 2]" 1
1794 2 49 LYS H 2 50 GLY HA2 . . 5.400 5.359 5.267 5.477 0.077 4 0 "[ . 1 . 2]" 1
1795 2 49 LYS QB 2 50 GLY HA3 . . 4.600 4.212 4.045 4.398 . 0 0 "[ . 1 . 2]" 1
1796 2 49 LYS QB 2 50 GLY HA2 . . 4.800 4.178 4.015 4.372 . 0 0 "[ . 1 . 2]" 1
1797 2 51 CYS HA 2 52 LYS HA . . 4.840 4.504 4.473 4.547 . 0 0 "[ . 1 . 2]" 1
1798 2 51 CYS HA 2 53 ARG HB3 . . 4.890 4.373 4.032 5.039 0.149 3 0 "[ . 1 . 2]" 1
1799 2 52 LYS HA 2 55 THR HB . . 5.500 4.876 3.071 6.021 0.521 14 1 "[ . 1 +. 2]" 1
1800 2 54 LYS HB2 2 55 THR HB . . 5.500 5.026 4.568 5.490 . 0 0 "[ . 1 . 2]" 1
1801 2 54 LYS HD3 2 55 THR HB . . 5.500 5.896 5.568 6.105 0.605 17 8 "[* . ***1 - *. + *2]" 1
1802 2 55 THR HB 2 66 ILE MD . . 5.500 5.424 4.085 6.182 0.682 10 4 "[ * - *+ . 2]" 1
1803 2 54 LYS HG3 2 55 THR HA . . 4.270 3.836 3.310 4.301 0.031 19 0 "[ . 1 . 2]" 1
1804 2 54 LYS HG2 2 55 THR HA . . 5.240 5.058 4.646 5.440 0.200 17 0 "[ . 1 . 2]" 1
1805 2 55 THR HA 2 55 THR MG . . 3.330 3.203 2.752 3.282 . 0 0 "[ . 1 . 2]" 1
1806 2 55 THR MG 2 57 GLY H . . 4.850 4.594 4.410 5.090 0.240 9 0 "[ . 1 . 2]" 1
1807 2 55 THR MG 2 56 ASN HD21 . . 4.790 3.831 1.891 5.184 0.394 2 0 "[ . 1 . 2]" 1
1808 2 49 LYS HA 2 49 LYS HG2 . . 3.250 2.642 2.559 2.695 . 0 0 "[ . 1 . 2]" 1
1809 2 46 GLN H 2 49 LYS QE . . 5.020 4.845 4.374 5.210 0.190 15 0 "[ . 1 . 2]" 1
1810 2 26 ALA HA 2 49 LYS QE . . 3.710 2.918 2.276 3.433 . 0 0 "[ . 1 . 2]" 1
1811 2 49 LYS QE 2 49 LYS HG3 . . 2.840 2.535 2.444 2.639 . 0 0 "[ . 1 . 2]" 1
1812 2 49 LYS QB 2 49 LYS QD . . 3.450 2.189 2.178 2.214 . 0 0 "[ . 1 . 2]" 1
1813 2 49 LYS QB 2 49 LYS QE . . 4.270 3.700 3.606 3.768 . 0 0 "[ . 1 . 2]" 1
1814 2 53 ARG HB2 2 56 ASN QB . . 4.650 4.111 3.536 4.996 0.346 10 0 "[ . 1 . 2]" 1
1815 2 46 GLN HA 2 49 LYS QD . . 3.330 2.179 1.882 2.684 . 0 0 "[ . 1 . 2]" 1
1816 2 26 ALA HA 2 49 LYS QD . . 4.610 4.709 4.183 5.055 0.445 7 0 "[ . 1 . 2]" 1
1817 2 49 LYS HA 2 49 LYS QD . . 4.830 4.114 4.078 4.141 . 0 0 "[ . 1 . 2]" 1
1818 2 80 LYS HD2 2 80 LYS QE . . 2.780 2.353 2.187 2.403 . 0 0 "[ . 1 . 2]" 1
1819 2 49 LYS H 2 49 LYS HG2 . . 3.890 3.605 3.441 3.785 . 0 0 "[ . 1 . 2]" 1
1820 2 49 LYS HG2 2 50 GLY H . . 5.330 5.148 5.038 5.232 . 0 0 "[ . 1 . 2]" 1
1821 2 49 LYS HG3 2 50 GLY H . . 4.680 4.457 4.304 4.564 . 0 0 "[ . 1 . 2]" 1
1822 2 49 LYS HA 2 49 LYS HG3 . . 3.380 2.966 2.872 3.082 . 0 0 "[ . 1 . 2]" 1
1823 2 49 LYS HG2 2 84 PRO HD3 . . 4.070 4.236 2.851 5.017 0.947 16 7 "[* *. * *1* .+ -2]" 1
1824 2 46 GLN HA 2 49 LYS HG3 . . 4.250 3.379 3.115 3.633 . 0 0 "[ . 1 . 2]" 1
1825 2 49 LYS HG3 2 84 PRO HD3 . . 4.590 4.634 3.450 5.147 0.557 11 2 "[- . 1+ . 2]" 1
1826 2 49 LYS QE 2 49 LYS HG2 . . 3.390 2.780 2.411 2.995 . 0 0 "[ . 1 . 2]" 1
1827 2 55 THR HA 2 56 ASN QB . . 5.270 5.260 4.896 5.503 0.233 2 0 "[ . 1 . 2]" 1
1828 2 55 THR MG 2 56 ASN QB . . 4.060 3.433 2.281 4.456 0.396 2 0 "[ . 1 . 2]" 1
1829 2 52 LYS H 2 52 LYS QD . . 4.630 3.983 2.335 4.509 . 0 0 "[ . 1 . 2]" 1
1830 2 52 LYS HA 2 52 LYS QE . . 4.750 4.424 1.891 4.796 0.046 2 0 "[ . 1 . 2]" 1
1831 2 52 LYS HA 2 54 LYS QE . . 4.620 3.445 2.693 4.231 . 0 0 "[ . 1 . 2]" 1
1832 2 40 LYS QB 2 41 MET HA . . 4.280 3.915 3.704 4.570 0.290 20 0 "[ . 1 . 2]" 1
1833 2 52 LYS HA 2 52 LYS HG2 . . 3.830 2.673 2.517 3.660 . 0 0 "[ . 1 . 2]" 1
1834 2 52 LYS HA 2 52 LYS HG3 . . 3.830 3.135 2.446 3.879 0.049 9 0 "[ . 1 . 2]" 1
1835 2 52 LYS QD 2 52 LYS QE . . 2.400 2.111 2.105 2.116 . 0 0 "[ . 1 . 2]" 1
1836 2 52 LYS QE 2 52 LYS HG3 . . 3.370 2.598 2.420 3.394 0.024 9 0 "[ . 1 . 2]" 1
1837 2 52 LYS HB2 2 52 LYS QE . . 3.980 3.449 2.002 4.077 0.097 16 0 "[ . 1 . 2]" 1
1838 2 52 LYS HB3 2 52 LYS QE . . 4.120 3.557 2.111 4.289 0.169 5 0 "[ . 1 . 2]" 1
1839 2 52 LYS HA 2 52 LYS QD . . 4.480 4.039 3.276 4.367 . 0 0 "[ . 1 . 2]" 1
1840 2 88 ASN HA 2 92 LYS QD . . 5.020 4.772 3.907 5.691 0.671 16 2 "[ . 1 - .+ 2]" 1
1841 2 52 LYS HB2 2 52 LYS QD . . 2.980 2.628 2.345 3.433 0.453 9 0 "[ . 1 . 2]" 1
1842 2 52 LYS QE 2 52 LYS HG2 . . 3.370 2.671 2.381 3.367 . 0 0 "[ . 1 . 2]" 1
1843 2 52 LYS QD 2 52 LYS HG2 . . 2.620 2.337 2.193 2.417 . 0 0 "[ . 1 . 2]" 1
1844 2 52 LYS QD 2 52 LYS HG3 . . 2.620 2.350 2.191 2.420 . 0 0 "[ . 1 . 2]" 1
1845 2 53 ARG HA 2 53 ARG QD . . 4.610 4.106 2.406 4.534 . 0 0 "[ . 1 . 2]" 1
1846 2 52 LYS HB2 2 53 ARG HA . . 4.400 4.473 4.259 4.915 0.515 4 1 "[ +. 1 . 2]" 1
1847 2 53 ARG H 2 53 ARG QD . . 4.690 4.675 3.874 4.859 0.169 12 0 "[ . 1 . 2]" 1
1848 2 53 ARG QD 2 59 CYS H . . 4.670 4.884 4.535 5.056 0.386 12 0 "[ . 1 . 2]" 1
1849 2 53 ARG HA 2 53 ARG QG . . 3.760 2.666 2.456 3.392 . 0 0 "[ . 1 . 2]" 1
1850 2 53 ARG QG 2 54 LYS HA . . 4.440 3.883 3.445 4.117 . 0 0 "[ . 1 . 2]" 1
1851 2 54 LYS HD2 2 59 CYS QB . . 5.500 5.820 5.554 5.955 0.455 2 0 "[ . 1 . 2]" 1
1852 2 54 LYS HA 2 59 CYS QB . . 4.420 2.089 1.776 2.422 . 0 0 "[ . 1 . 2]" 1
1853 2 54 LYS HA 2 62 CYS HB2 . . 4.590 3.140 2.697 3.582 . 0 0 "[ . 1 . 2]" 1
1854 2 54 LYS HA 2 54 LYS HG3 . . 4.190 3.832 3.786 3.879 . 0 0 "[ . 1 . 2]" 1
1855 2 54 LYS HA 2 54 LYS HD2 . . 4.940 4.859 4.783 4.917 . 0 0 "[ . 1 . 2]" 1
1856 2 54 LYS QE 2 85 PHE QE . . 4.180 3.698 2.962 4.212 0.032 15 0 "[ . 1 . 2]" 1
1857 2 27 GLN HA 2 29 ARG QD . . 4.980 3.863 3.190 4.711 . 0 0 "[ . 1 . 2]" 1
1858 2 54 LYS QE 2 54 LYS HG2 . . 3.530 2.535 2.410 2.635 . 0 0 "[ . 1 . 2]" 1
1859 2 54 LYS HB3 2 54 LYS QE . . 4.240 4.085 4.005 4.171 . 0 0 "[ . 1 . 2]" 1
1860 2 54 LYS QE 2 55 THR MG . . 4.120 4.205 3.173 5.160 1.040 2 7 "[*+ * - ** . *]" 1
1861 2 54 LYS QE 2 66 ILE MD . . 5.160 4.950 4.212 5.768 0.608 5 1 "[ + 1 . 2]" 1
1862 2 54 LYS HB3 2 54 LYS HD2 . . 4.110 3.057 2.985 3.165 . 0 0 "[ . 1 . 2]" 1
1863 2 54 LYS HB2 2 54 LYS HD2 . . 3.780 2.550 2.461 2.647 . 0 0 "[ . 1 . 2]" 1
1864 2 54 LYS HB2 2 54 LYS QE . . 4.390 4.173 3.989 4.299 . 0 0 "[ . 1 . 2]" 1
1865 2 54 LYS H 2 54 LYS HG3 . . 4.710 3.364 3.137 3.528 . 0 0 "[ . 1 . 2]" 1
1866 2 52 LYS HA 2 54 LYS HG2 . . 4.260 2.995 2.406 3.570 . 0 0 "[ . 1 . 2]" 1
1867 2 54 LYS QE 2 54 LYS HG3 . . 3.850 2.766 2.379 3.033 . 0 0 "[ . 1 . 2]" 1
1868 2 60 PRO HA 2 63 LYS QE . . 4.310 3.140 2.582 4.022 . 0 0 "[ . 1 . 2]" 1
1869 2 60 PRO HA 2 63 LYS HB2 . . 3.680 2.604 2.320 2.882 . 0 0 "[ . 1 . 2]" 1
1870 2 35 LEU HG 2 36 PRO HA . . 5.230 4.929 4.768 5.158 . 0 0 "[ . 1 . 2]" 1
1871 2 60 PRO HA 2 63 LYS QD . . 5.470 4.600 4.352 4.906 . 0 0 "[ . 1 . 2]" 1
1872 2 35 LEU HB2 2 36 PRO HA . . 5.500 5.184 5.109 5.281 . 0 0 "[ . 1 . 2]" 1
1873 2 60 PRO HA 2 61 ILE QG . . 5.500 5.129 5.061 5.198 . 0 0 "[ . 1 . 2]" 1
1874 1 21 LEU QD 2 60 PRO HA . . 5.500 3.832 3.682 4.000 . 0 0 "[ . 1 . 2]" 1
1875 2 60 PRO HB2 2 63 LYS H . . 5.490 5.084 4.965 5.185 . 0 0 "[ . 1 . 2]" 1
1876 2 60 PRO HB2 2 64 GLN H . . 5.450 5.092 4.912 5.296 . 0 0 "[ . 1 . 2]" 1
1877 2 35 LEU HB2 2 36 PRO HG3 . . 4.860 4.654 4.505 4.796 . 0 0 "[ . 1 . 2]" 1
1878 2 60 PRO HG3 2 61 ILE QG . . 5.110 4.592 4.324 4.822 . 0 0 "[ . 1 . 2]" 1
1879 2 60 PRO HG3 2 61 ILE MD . . 4.340 3.621 3.387 3.902 . 0 0 "[ . 1 . 2]" 1
1880 2 60 PRO HG2 2 61 ILE MD . . 4.520 2.170 1.911 2.403 . 0 0 "[ . 1 . 2]" 1
1881 2 60 PRO HG2 2 61 ILE MG . . 5.020 4.895 4.725 5.130 0.110 11 0 "[ . 1 . 2]" 1
1882 2 61 ILE HA 2 64 GLN H . . 4.120 3.747 3.457 4.001 . 0 0 "[ . 1 . 2]" 1
1883 1 24 PHE QE 2 61 ILE HA . . 5.500 5.323 4.672 5.844 0.344 19 0 "[ . 1 . 2]" 1
1884 2 61 ILE HA 2 64 GLN QE . . 5.040 4.291 3.351 5.157 0.117 5 0 "[ . 1 . 2]" 1
1885 1 21 LEU HA 2 61 ILE HA . . 4.520 3.833 3.539 4.462 . 0 0 "[ . 1 . 2]" 1
1886 2 61 ILE HA 2 64 GLN HG3 . . 4.740 3.261 2.404 3.604 . 0 0 "[ . 1 . 2]" 1
1887 2 61 ILE HA 2 64 GLN HG2 . . 4.740 3.411 2.363 5.191 0.451 10 0 "[ . 1 . 2]" 1
1888 2 60 PRO HG2 2 61 ILE HA . . 4.830 4.319 4.198 4.482 . 0 0 "[ . 1 . 2]" 1
1889 2 61 ILE HA 2 64 GLN QB . . 4.930 4.027 3.249 4.696 . 0 0 "[ . 1 . 2]" 1
1890 2 60 PRO HB2 2 61 ILE HA . . 4.370 4.253 4.152 4.450 0.080 11 0 "[ . 1 . 2]" 1
1891 1 21 LEU QB 2 61 ILE HA . . 4.180 3.140 2.946 3.310 . 0 0 "[ . 1 . 2]" 1
1892 1 17 GLU QB 2 61 ILE HB . . 4.800 4.363 3.783 4.958 0.158 17 0 "[ . 1 . 2]" 1
1893 2 59 CYS QB 2 61 ILE HB . . 5.220 5.060 4.878 5.408 0.188 16 0 "[ . 1 . 2]" 1
1894 2 60 PRO QD 2 61 ILE HB . . 5.500 5.134 5.016 5.270 . 0 0 "[ . 1 . 2]" 1
1895 2 61 ILE HB 2 62 CYS HA . . 5.500 4.061 4.001 4.137 . 0 0 "[ . 1 . 2]" 1
1896 2 61 ILE HB 2 63 LYS H . . 4.860 4.763 4.655 4.922 0.062 16 0 "[ . 1 . 2]" 1
1897 1 18 LEU HA 2 61 ILE QG . . 5.020 4.593 4.236 4.880 . 0 0 "[ . 1 . 2]" 1
1898 2 61 ILE HA 2 61 ILE QG . . 4.000 3.331 3.279 3.393 . 0 0 "[ . 1 . 2]" 1
1899 2 61 ILE QG 2 61 ILE MG . . 3.220 2.331 2.306 2.393 . 0 0 "[ . 1 . 2]" 1
1900 2 61 ILE MG 2 65 LEU H . . 4.680 4.847 4.730 4.916 0.236 4 0 "[ . 1 . 2]" 1
1901 1 21 LEU H 2 61 ILE MG . . 3.500 3.254 2.805 3.604 0.104 8 0 "[ . 1 . 2]" 1
1902 1 20 ASP H 2 61 ILE MG . . 5.230 4.730 4.262 5.065 . 0 0 "[ . 1 . 2]" 1
1903 1 24 PHE QD 2 61 ILE MG . . 3.360 2.887 2.534 3.281 . 0 0 "[ . 1 . 2]" 1
1904 1 24 PHE QE 2 61 ILE MG . . 3.770 2.740 2.197 3.168 . 0 0 "[ . 1 . 2]" 1
1905 2 47 HIS HD2 2 61 ILE MG . . 3.710 4.082 3.657 4.462 0.752 17 7 "[* . * * - .*+* 2]" 1
1906 1 21 LEU HA 2 61 ILE MG . . 3.670 2.956 2.581 3.441 . 0 0 "[ . 1 . 2]" 1
1907 2 61 ILE MG 2 62 CYS HA . . 4.060 4.321 4.112 4.529 0.469 16 0 "[ . 1 . 2]" 1
1908 2 61 ILE HA 2 61 ILE MG . . 3.140 2.288 2.254 2.312 . 0 0 "[ . 1 . 2]" 1
1909 1 20 ASP HA 2 61 ILE MG . . 5.500 5.181 4.610 6.001 0.501 9 1 "[ . +1 . 2]" 1
1910 2 44 VAL HA 2 61 ILE MG . . 4.060 4.361 3.822 4.703 0.643 7 3 "[ -. + 1 . * 2]" 1
1911 1 24 PHE QB 2 61 ILE MG . . 4.990 4.364 4.059 4.720 . 0 0 "[ . 1 . 2]" 1
1912 1 20 ASP QB 2 61 ILE MG . . 4.330 2.967 2.341 3.780 . 0 0 "[ . 1 . 2]" 1
1913 2 44 VAL HB 2 61 ILE MG . . 4.130 3.682 3.308 4.252 0.122 16 0 "[ . 1 . 2]" 1
1914 2 44 VAL MG1 2 61 ILE MG . . 3.620 3.659 2.028 3.946 0.326 20 0 "[ . 1 . 2]" 1
1915 2 61 ILE MD 2 61 ILE MG . . 2.610 2.109 1.992 2.179 . 0 0 "[ . 1 . 2]" 1
1916 2 61 ILE HB 2 61 ILE MD . . 3.230 3.279 3.271 3.293 0.063 16 0 "[ . 1 . 2]" 1
1917 1 17 GLU QB 2 61 ILE MD . . 3.420 2.230 1.938 2.783 . 0 0 "[ . 1 . 2]" 1
1918 2 60 PRO HB2 2 61 ILE MD . . 3.540 3.271 2.914 3.583 0.043 8 0 "[ . 1 . 2]" 1
1919 1 20 ASP QB 2 61 ILE MD . . 4.380 3.932 3.407 4.677 0.297 9 0 "[ . 1 . 2]" 1
1920 2 61 ILE HA 2 61 ILE MD . . 3.430 2.553 2.443 2.709 . 0 0 "[ . 1 . 2]" 1
1921 1 18 LEU HA 2 61 ILE MD . . 3.370 2.628 2.167 2.959 . 0 0 "[ . 1 . 2]" 1
1922 1 24 PHE QD 2 61 ILE MD . . 4.530 4.812 4.614 4.968 0.438 9 0 "[ . 1 . 2]" 1
1923 1 24 PHE QE 2 61 ILE MD . . 4.960 5.112 4.999 5.219 0.259 3 0 "[ . 1 . 2]" 1
1924 1 20 ASP H 2 61 ILE MD . . 4.690 4.674 4.426 4.920 0.230 10 0 "[ . 1 . 2]" 1
1925 1 18 LEU H 2 61 ILE MD . . 3.800 3.563 3.204 3.717 . 0 0 "[ . 1 . 2]" 1
1926 1 21 LEU H 2 61 ILE MD . . 3.850 3.133 2.764 3.677 . 0 0 "[ . 1 . 2]" 1
1927 2 61 ILE H 2 62 CYS HA . . 5.500 5.285 5.198 5.360 . 0 0 "[ . 1 . 2]" 1
1928 2 62 CYS HA 2 66 ILE H . . 5.120 3.943 3.757 4.085 . 0 0 "[ . 1 . 2]" 1
1929 2 62 CYS HA 2 65 LEU HB2 . . 4.160 2.589 2.310 2.829 . 0 0 "[ . 1 . 2]" 1
1930 2 62 CYS HA 2 65 LEU HB3 . . 4.250 4.241 3.975 4.473 0.223 11 0 "[ . 1 . 2]" 1
1931 2 62 CYS HA 2 65 LEU HG . . 4.560 2.900 2.623 3.138 . 0 0 "[ . 1 . 2]" 1
1932 2 48 THR MG 2 62 CYS HA . . 4.320 2.851 2.616 3.110 . 0 0 "[ . 1 . 2]" 1
1933 2 62 CYS HB2 2 85 PHE QE . . 5.500 4.246 3.566 4.679 . 0 0 "[ . 1 . 2]" 1
1934 2 63 LYS HA 2 66 ILE MD . . 4.730 4.404 4.165 4.575 . 0 0 "[ . 1 . 2]" 1
1935 2 63 LYS HA 2 63 LYS QD . . 3.930 3.492 3.193 3.741 . 0 0 "[ . 1 . 2]" 1
1936 2 63 LYS HA 2 63 LYS QE . . 4.760 4.364 4.063 4.572 . 0 0 "[ . 1 . 2]" 1
1937 2 63 LYS HA 2 66 ILE H . . 4.890 3.563 3.454 3.723 . 0 0 "[ . 1 . 2]" 1
1938 2 40 LYS QE 2 40 LYS HG2 . . 3.730 3.138 2.406 3.578 . 0 0 "[ . 1 . 2]" 1
1939 2 40 LYS QB 2 40 LYS QE . . 3.240 2.142 1.871 2.928 . 0 0 "[ . 1 . 2]" 1
1940 2 63 LYS HB3 2 63 LYS QE . . 3.930 2.013 1.917 2.131 . 0 0 "[ . 1 . 2]" 1
1941 2 71 TYR HA 2 74 LYS QE . . 3.660 3.978 3.149 4.678 1.018 10 6 "[ * . + -** *]" 1
1942 2 63 LYS H 2 63 LYS QE . . 4.190 4.177 3.810 4.448 0.258 16 0 "[ . 1 . 2]" 1
1943 2 62 CYS H 2 63 LYS HB2 . . 5.140 4.780 4.585 4.960 . 0 0 "[ . 1 . 2]" 1
1944 2 62 CYS H 2 63 LYS HB3 . . 5.140 4.792 4.594 4.892 . 0 0 "[ . 1 . 2]" 1
1945 2 60 PRO HA 2 63 LYS HB3 . . 3.680 2.235 2.017 2.464 . 0 0 "[ . 1 . 2]" 1
1946 2 63 LYS HB2 2 63 LYS QE . . 3.930 3.419 3.295 3.652 . 0 0 "[ . 1 . 2]" 1
1947 2 63 LYS QD 2 63 LYS HG2 . . 2.690 2.191 2.184 2.199 . 0 0 "[ . 1 . 2]" 1
1948 2 63 LYS QE 2 63 LYS HG2 . . 3.420 3.436 3.366 3.567 0.147 6 0 "[ . 1 . 2]" 1
1949 2 40 LYS QE 2 40 LYS HG3 . . 3.730 3.044 2.390 3.555 . 0 0 "[ . 1 . 2]" 1
1950 2 63 LYS QE 2 63 LYS HG3 . . 3.780 2.677 2.473 3.092 . 0 0 "[ . 1 . 2]" 1
1951 2 63 LYS HA 2 63 LYS HG3 . . 3.650 3.727 3.639 3.788 0.138 9 0 "[ . 1 . 2]" 1
1952 2 63 LYS HA 2 63 LYS HG2 . . 3.680 2.588 2.515 2.738 . 0 0 "[ . 1 . 2]" 1
1953 2 60 PRO HA 2 63 LYS HG3 . . 4.260 3.618 3.432 3.872 . 0 0 "[ . 1 . 2]" 1
1954 2 60 PRO HA 2 63 LYS HG2 . . 5.360 4.709 4.560 4.915 . 0 0 "[ . 1 . 2]" 1
1955 2 63 LYS HG2 2 64 GLN H . . 4.210 4.675 4.375 4.906 0.696 11 6 "[*- . **1+ .* 2]" 1
1956 2 63 LYS HG3 2 64 GLN H . . 4.780 4.971 4.788 5.086 0.306 6 0 "[ . 1 . 2]" 1
1957 1 28 PHE HZ 2 64 GLN HG3 . . 5.040 3.762 3.245 4.648 . 0 0 "[ . 1 . 2]" 1
1958 2 64 GLN HA 2 64 GLN HG3 . . 4.010 3.610 3.209 3.893 . 0 0 "[ . 1 . 2]" 1
1959 2 68 LEU HA 2 71 TYR H . . 4.770 4.157 4.041 4.257 . 0 0 "[ . 1 . 2]" 1
1960 2 65 LEU HG 2 66 ILE H . . 4.980 4.515 4.353 4.626 . 0 0 "[ . 1 . 2]" 1
1961 2 65 LEU H 2 65 LEU HG . . 4.050 2.557 2.376 2.869 . 0 0 "[ . 1 . 2]" 1
1962 1 24 PHE QE 2 65 LEU HG . . 5.500 4.900 4.100 5.726 0.226 19 0 "[ . 1 . 2]" 1
1963 2 65 LEU HA 2 65 LEU HG . . 3.890 3.464 3.432 3.529 . 0 0 "[ . 1 . 2]" 1
1964 2 62 CYS H 2 65 LEU MD1 . . 5.500 5.240 5.045 5.647 0.147 9 0 "[ . 1 . 2]" 1
1965 2 62 CYS H 2 65 LEU MD2 . . 5.500 5.930 5.777 6.078 0.578 9 6 "[ . -+* *** 2]" 1
1966 2 44 VAL HB 2 65 LEU MD1 . . 5.090 3.819 2.679 4.025 . 0 0 "[ . 1 . 2]" 1
1967 2 44 VAL HB 2 65 LEU MD2 . . 5.090 4.824 3.774 5.326 0.236 17 0 "[ . 1 . 2]" 1
1968 2 61 ILE MG 2 65 LEU MD1 . . 3.900 3.684 3.394 4.158 0.258 9 0 "[ . 1 . 2]" 1
1969 2 61 ILE MG 2 65 LEU MD2 . . 3.900 3.803 3.628 3.939 0.039 5 0 "[ . 1 . 2]" 1
1970 2 65 LEU MD1 2 66 ILE H . . 5.130 4.911 4.764 5.034 . 0 0 "[ . 1 . 2]" 1
1971 2 65 LEU MD2 2 66 ILE H . . 5.130 4.562 4.491 4.621 . 0 0 "[ . 1 . 2]" 1
1972 2 67 ALA HA 2 69 ALA H . . 5.120 4.473 4.365 4.542 . 0 0 "[ . 1 . 2]" 1
1973 2 67 ALA HA 2 70 ALA H . . 3.980 3.389 3.250 3.528 . 0 0 "[ . 1 . 2]" 1
1974 2 67 ALA MB 2 68 LEU MD2 . . 4.940 3.213 2.972 3.593 . 0 0 "[ . 1 . 2]" 1
1975 2 70 ALA MB 2 89 ILE MD . . 2.650 2.400 2.154 2.552 . 0 0 "[ . 1 . 2]" 1
1976 2 66 ILE MD 2 70 ALA MB . . 4.370 4.239 3.910 4.459 0.089 15 0 "[ . 1 . 2]" 1
1977 2 70 ALA MB 2 74 LYS QE . . 4.030 2.949 2.634 3.392 . 0 0 "[ . 1 . 2]" 1
1978 2 70 ALA MB 2 71 TYR HB3 . . 3.780 3.978 3.909 4.156 0.376 9 0 "[ . 1 . 2]" 1
1979 2 70 ALA MB 2 85 PHE HB3 . . 5.310 5.282 5.000 5.481 0.171 15 0 "[ . 1 . 2]" 1
1980 2 67 ALA H 2 67 ALA MB . . 2.800 2.263 2.240 2.278 . 0 0 "[ . 1 . 2]" 1
1981 2 67 ALA MB 2 68 LEU H . . 3.260 2.548 2.447 2.637 . 0 0 "[ . 1 . 2]" 1
1982 2 69 ALA H 2 70 ALA MB . . 4.400 4.398 4.368 4.436 0.036 19 0 "[ . 1 . 2]" 1
1983 2 66 ILE HA 2 85 PHE QE . . 5.300 4.451 4.203 4.754 . 0 0 "[ . 1 . 2]" 1
1984 2 66 ILE HA 2 85 PHE QD . . 4.680 3.451 3.189 3.646 . 0 0 "[ . 1 . 2]" 1
1985 2 65 LEU HA 2 66 ILE HA . . 5.420 4.757 4.744 4.771 . 0 0 "[ . 1 . 2]" 1
1986 2 66 ILE HA 2 67 ALA HA . . 5.500 4.831 4.801 4.869 . 0 0 "[ . 1 . 2]" 1
1987 2 66 ILE HA 2 85 PHE HA . . 5.500 5.111 4.826 5.456 . 0 0 "[ . 1 . 2]" 1
1988 2 66 ILE HA 2 70 ALA MB . . 4.500 4.490 4.400 4.591 0.091 15 0 "[ . 1 . 2]" 1
1989 2 66 ILE HA 2 66 ILE HG13 . . 4.110 2.423 2.376 2.477 . 0 0 "[ . 1 . 2]" 1
1990 2 66 ILE HA 2 89 ILE MD . . 4.200 3.384 2.939 3.861 . 0 0 "[ . 1 . 2]" 1
1991 2 63 LYS HA 2 66 ILE HB . . 4.750 3.844 3.464 4.078 . 0 0 "[ . 1 . 2]" 1
1992 2 66 ILE HB 2 85 PHE QD . . 5.190 2.807 2.455 3.239 . 0 0 "[ . 1 . 2]" 1
1993 2 66 ILE HB 2 85 PHE QE . . 5.000 3.197 2.928 3.736 . 0 0 "[ . 1 . 2]" 1
1994 2 66 ILE H 2 66 ILE HG13 . . 5.080 4.476 4.408 4.532 . 0 0 "[ . 1 . 2]" 1
1995 2 66 ILE HG13 2 70 ALA H . . 5.440 4.910 4.638 5.226 . 0 0 "[ . 1 . 2]" 1
1996 2 66 ILE HG13 2 67 ALA H . . 5.500 5.176 5.122 5.252 . 0 0 "[ . 1 . 2]" 1
1997 2 66 ILE HG13 2 85 PHE QE . . 5.500 4.496 4.213 4.984 . 0 0 "[ . 1 . 2]" 1
1998 2 66 ILE HG13 2 85 PHE HB3 . . 5.220 1.895 1.759 2.260 . 0 0 "[ . 1 . 2]" 1
1999 2 66 ILE HG12 2 85 PHE HB3 . . 5.500 3.492 3.350 3.808 . 0 0 "[ . 1 . 2]" 1
2000 2 66 ILE HG12 2 89 ILE MD . . 4.910 2.217 1.969 2.505 . 0 0 "[ . 1 . 2]" 1
2001 2 66 ILE HG13 2 89 ILE MD . . 4.070 2.201 1.947 2.584 . 0 0 "[ . 1 . 2]" 1
2002 2 66 ILE HG12 2 66 ILE MG . . 3.460 2.446 2.423 2.485 . 0 0 "[ . 1 . 2]" 1
2003 2 66 ILE HG13 2 66 ILE MG . . 3.370 3.251 3.240 3.262 . 0 0 "[ . 1 . 2]" 1
2004 2 65 LEU HB2 2 66 ILE MG . . 4.630 4.652 4.512 4.949 0.319 10 0 "[ . 1 . 2]" 1
2005 2 66 ILE MG 2 67 ALA MB . . 3.140 3.362 3.219 3.474 0.334 19 0 "[ . 1 . 2]" 1
2006 2 66 ILE MG 2 67 ALA HA . . 3.600 3.414 3.306 3.512 . 0 0 "[ . 1 . 2]" 1
2007 2 63 LYS HA 2 66 ILE MG . . 3.530 1.945 1.818 2.055 . 0 0 "[ . 1 . 2]" 1
2008 2 66 ILE HA 2 66 ILE MG . . 3.260 3.274 3.266 3.278 0.018 8 0 "[ . 1 . 2]" 1
2009 2 66 ILE MG 2 69 ALA H . . 5.430 5.135 5.026 5.211 . 0 0 "[ . 1 . 2]" 1
2010 2 66 ILE H 2 66 ILE MG . . 3.420 2.348 2.272 2.456 . 0 0 "[ . 1 . 2]" 1
2011 2 63 LYS H 2 66 ILE MG . . 4.480 4.175 4.049 4.269 . 0 0 "[ . 1 . 2]" 1
2012 2 66 ILE MG 2 68 LEU H . . 4.820 4.885 4.768 5.006 0.186 19 0 "[ . 1 . 2]" 1
2013 2 66 ILE MG 2 67 ALA H . . 3.430 2.637 2.468 2.785 . 0 0 "[ . 1 . 2]" 1
2014 2 66 ILE MG 2 85 PHE QD . . 4.770 4.154 3.935 4.390 . 0 0 "[ . 1 . 2]" 1
2015 2 66 ILE MD 2 67 ALA H . . 5.330 5.182 4.987 5.297 . 0 0 "[ . 1 . 2]" 1
2016 2 66 ILE MD 2 85 PHE HA . . 4.400 3.882 3.533 4.260 . 0 0 "[ . 1 . 2]" 1
2017 2 66 ILE MD 2 89 ILE HA . . 5.360 4.768 4.102 5.250 . 0 0 "[ . 1 . 2]" 1
2018 2 66 ILE HA 2 66 ILE MD . . 4.020 3.808 3.779 3.838 . 0 0 "[ . 1 . 2]" 1
2019 2 66 ILE MD 2 85 PHE HB3 . . 4.230 3.339 3.098 3.692 . 0 0 "[ . 1 . 2]" 1
2020 2 66 ILE MD 2 89 ILE HG12 . . 3.760 2.997 2.480 3.427 . 0 0 "[ . 1 . 2]" 1
2021 2 66 ILE HB 2 66 ILE MD . . 3.370 2.473 2.448 2.507 . 0 0 "[ . 1 . 2]" 1
2022 2 66 ILE MD 2 89 ILE HG13 . . 3.520 3.237 2.882 3.623 0.103 17 0 "[ . 1 . 2]" 1
2023 2 66 ILE MD 2 66 ILE MG . . 2.750 2.019 1.989 2.055 . 0 0 "[ . 1 . 2]" 1
2024 2 69 ALA HA 2 73 ALA H . . 5.160 3.911 3.788 4.022 . 0 0 "[ . 1 . 2]" 1
2025 2 68 LEU H 2 69 ALA HA . . 5.500 5.317 5.283 5.352 . 0 0 "[ . 1 . 2]" 1
2026 2 69 ALA HA 2 70 ALA MB . . 5.210 5.072 5.047 5.090 . 0 0 "[ . 1 . 2]" 1
2027 2 19 ILE MG 2 69 ALA HA . . 4.550 4.000 3.661 4.441 . 0 0 "[ . 1 . 2]" 1
2028 2 19 ILE MD 2 69 ALA HA . . 4.540 4.507 4.118 4.957 0.417 14 0 "[ . 1 . 2]" 1
2029 2 69 ALA HA 2 83 VAL MG2 . . 5.100 4.084 3.720 4.610 . 0 0 "[ . 1 . 2]" 1
2030 2 69 ALA H 2 69 ALA MB . . 3.620 2.225 2.208 2.235 . 0 0 "[ . 1 . 2]" 1
2031 2 69 ALA MB 2 70 ALA H . . 3.640 2.881 2.812 2.920 . 0 0 "[ . 1 . 2]" 1
2032 2 68 LEU H 2 69 ALA MB . . 4.680 4.316 4.281 4.357 . 0 0 "[ . 1 . 2]" 1
2033 2 69 ALA MB 2 71 TYR H . . 5.070 4.992 4.915 5.054 . 0 0 "[ . 1 . 2]" 1
2034 2 69 ALA MB 2 85 PHE QE . . 4.580 4.599 4.277 4.951 0.371 11 0 "[ . 1 . 2]" 1
2035 2 69 ALA MB 2 70 ALA HA . . 3.940 3.979 3.922 4.035 0.095 20 0 "[ . 1 . 2]" 1
2036 2 69 ALA MB 2 86 CYS HA . . 3.880 2.893 2.652 3.167 . 0 0 "[ . 1 . 2]" 1
2037 2 66 ILE HA 2 69 ALA MB . . 3.660 2.158 1.995 2.280 . 0 0 "[ . 1 . 2]" 1
2038 2 69 ALA MB 2 85 PHE HB3 . . 3.920 2.566 2.382 2.739 . 0 0 "[ . 1 . 2]" 1
2039 2 69 ALA MB 2 85 PHE HB2 . . 3.820 2.137 2.001 2.244 . 0 0 "[ . 1 . 2]" 1
2040 2 22 LEU MD2 2 69 ALA MB . . 4.280 2.525 2.210 2.980 . 0 0 "[ . 1 . 2]" 1
2041 2 22 LEU MD1 2 69 ALA MB . . 4.280 4.351 3.951 4.933 0.653 15 2 "[ . 1 + - 2]" 1
2042 2 69 ALA MB 2 89 ILE MD . . 3.580 2.498 2.286 2.741 . 0 0 "[ . 1 . 2]" 1
2043 2 19 ILE MG 2 69 ALA MB . . 4.180 4.570 4.257 5.000 0.820 14 3 "[ *. -1 +. 2]" 1
2044 2 66 ILE HG13 2 69 ALA MB . . 4.390 3.190 2.957 3.482 . 0 0 "[ . 1 . 2]" 1
2045 2 70 ALA MB 2 71 TYR H . . 3.400 2.219 2.183 2.319 . 0 0 "[ . 1 . 2]" 1
2046 2 70 ALA H 2 70 ALA MB . . 2.760 2.287 2.260 2.319 . 0 0 "[ . 1 . 2]" 1
2047 2 70 ALA H 2 71 TYR HA . . 5.500 5.273 5.213 5.314 . 0 0 "[ . 1 . 2]" 1
2048 2 71 TYR HA 2 71 TYR QD . . 3.660 3.227 3.144 3.294 . 0 0 "[ . 1 . 2]" 1
2049 2 71 TYR HA 2 71 TYR QE . . 5.500 5.158 5.081 5.208 . 0 0 "[ . 1 . 2]" 1
2050 2 71 TYR HA 2 74 LYS H . . 4.510 3.769 3.632 3.902 . 0 0 "[ . 1 . 2]" 1
2051 2 71 TYR HB2 2 72 HIS H . . 4.750 4.072 4.040 4.118 . 0 0 "[ . 1 . 2]" 1
2052 2 70 ALA MB 2 71 TYR HB2 . . 4.710 4.314 4.222 4.385 . 0 0 "[ . 1 . 2]" 1
2053 1 30 LEU MD2 2 71 TYR HB3 . . 5.360 3.615 3.294 3.961 . 0 0 "[ . 1 . 2]" 1
2054 2 15 ILE MD 2 71 TYR HB2 . . 5.500 4.352 3.873 4.622 . 0 0 "[ . 1 . 2]" 1
2055 2 15 ILE MD 2 71 TYR HB3 . . 4.920 3.540 3.143 3.827 . 0 0 "[ . 1 . 2]" 1
2056 2 90 LYS HA 2 90 LYS QB . . 2.650 2.185 2.177 2.196 . 0 0 "[ . 1 . 2]" 1
2057 2 68 LEU HA 2 71 TYR HB3 . . 4.510 3.272 3.012 3.504 . 0 0 "[ . 1 . 2]" 1
2058 2 68 LEU HB2 2 69 ALA H . . 4.890 2.419 2.349 2.525 . 0 0 "[ . 1 . 2]" 1
2059 2 68 LEU H 2 68 LEU HG . . 4.120 4.103 4.072 4.165 0.045 9 0 "[ . 1 . 2]" 1
2060 2 19 ILE H 2 68 LEU HG . . 5.500 3.925 3.479 4.175 . 0 0 "[ . 1 . 2]" 1
2061 2 68 LEU HG 2 71 TYR QD . . 5.500 5.985 5.759 6.152 0.652 18 12 "[****. * ** *-*+*2]" 1
2062 2 68 LEU HA 2 68 LEU HG . . 3.910 3.757 3.595 3.841 . 0 0 "[ . 1 . 2]" 1
2063 2 19 ILE HA 2 68 LEU HG . . 5.500 3.639 2.960 3.941 . 0 0 "[ . 1 . 2]" 1
2064 2 19 ILE H 2 68 LEU MD2 . . 5.500 5.228 4.891 5.519 0.019 1 0 "[ . 1 . 2]" 1
2065 2 68 LEU H 2 68 LEU MD2 . . 4.220 2.046 1.894 2.397 . 0 0 "[ . 1 . 2]" 1
2066 1 28 PHE QD 2 68 LEU MD2 . . 3.630 3.050 2.806 3.406 . 0 0 "[ . 1 . 2]" 1
2067 2 19 ILE HA 2 68 LEU MD2 . . 4.820 4.519 3.981 4.888 0.068 14 0 "[ . 1 . 2]" 1
2068 2 68 LEU HB3 2 68 LEU MD2 . . 3.610 3.177 3.073 3.231 . 0 0 "[ . 1 . 2]" 1
2069 2 68 LEU HB2 2 68 LEU MD2 . . 3.610 2.265 2.225 2.327 . 0 0 "[ . 1 . 2]" 1
2070 2 15 ILE MD 2 68 LEU MD2 . . 3.970 4.167 4.025 4.247 0.277 14 0 "[ . 1 . 2]" 1
2071 2 68 LEU HB2 2 68 LEU MD1 . . 3.610 3.225 3.163 3.251 . 0 0 "[ . 1 . 2]" 1
2072 2 67 ALA MB 2 68 LEU MD1 . . 4.940 3.468 2.808 4.008 . 0 0 "[ . 1 . 2]" 1
2073 2 18 ALA MB 2 68 LEU MD1 . . 3.180 2.496 2.179 2.869 . 0 0 "[ . 1 . 2]" 1
2074 1 28 PHE QD 2 68 LEU MD1 . . 3.630 2.814 2.547 2.961 . 0 0 "[ . 1 . 2]" 1
2075 2 68 LEU H 2 68 LEU MD1 . . 4.220 2.857 2.300 3.321 . 0 0 "[ . 1 . 2]" 1
2076 2 68 LEU MD1 2 69 ALA H . . 4.860 4.469 4.241 4.626 . 0 0 "[ . 1 . 2]" 1
2077 2 19 ILE H 2 68 LEU MD1 . . 5.500 4.137 3.472 4.754 . 0 0 "[ . 1 . 2]" 1
2078 2 72 HIS HD2 2 73 ALA HA . . 4.410 3.910 3.712 4.118 . 0 0 "[ . 1 . 2]" 1
2079 2 73 ALA H 2 73 ALA MB . . 3.350 2.295 2.274 2.311 . 0 0 "[ . 1 . 2]" 1
2080 2 73 ALA MB 2 86 CYS H . . 4.870 4.767 4.476 5.045 0.175 11 0 "[ . 1 . 2]" 1
2081 2 72 HIS HD2 2 73 ALA MB . . 3.890 3.516 3.318 3.797 . 0 0 "[ . 1 . 2]" 1
2082 2 70 ALA HA 2 73 ALA MB . . 3.250 2.691 2.435 2.951 . 0 0 "[ . 1 . 2]" 1
2083 2 73 ALA MB 2 86 CYS HB3 . . 4.380 4.363 4.093 4.712 0.332 11 0 "[ . 1 . 2]" 1
2084 2 73 ALA MB 2 76 CYS HB3 . . 3.880 4.090 3.588 4.677 0.797 18 3 "[ . *- . + 2]" 1
2085 2 73 ALA MB 2 89 ILE HB . . 3.320 2.666 2.349 2.872 . 0 0 "[ . 1 . 2]" 1
2086 2 73 ALA MB 2 89 ILE MD . . 3.180 2.770 2.544 2.975 . 0 0 "[ . 1 . 2]" 1
2087 2 71 TYR H 2 72 HIS HA . . 5.500 5.408 5.381 5.446 . 0 0 "[ . 1 . 2]" 1
2088 2 72 HIS HA 2 73 ALA MB . . 5.500 5.106 5.085 5.122 . 0 0 "[ . 1 . 2]" 1
2089 2 72 HIS HA 2 74 LYS HB2 . . 5.500 5.031 4.607 5.403 . 0 0 "[ . 1 . 2]" 1
2090 2 19 ILE MD 2 72 HIS HA . . 4.000 3.388 3.196 3.614 . 0 0 "[ . 1 . 2]" 1
2091 2 69 ALA MB 2 72 HIS HB3 . . 5.330 3.892 3.696 4.079 . 0 0 "[ . 1 . 2]" 1
2092 2 72 HIS HB3 2 73 ALA MB . . 5.500 4.327 4.125 4.445 . 0 0 "[ . 1 . 2]" 1
2093 2 19 ILE MG 2 72 HIS HB3 . . 4.930 3.565 3.383 3.786 . 0 0 "[ . 1 . 2]" 1
2094 2 15 ILE MG 2 72 HIS HB2 . . 5.500 5.883 5.616 6.051 0.551 4 3 "[ +. - .* 2]" 1
2095 2 75 HIS HA 2 75 HIS HD2 . . 4.810 3.089 2.550 4.594 . 0 0 "[ . 1 . 2]" 1
2096 2 76 CYS HA 2 78 GLU H . . 5.370 3.880 3.180 5.012 . 0 0 "[ . 1 . 2]" 1
2097 2 76 CYS HA 2 77 GLN QG . . 4.310 4.563 4.065 5.071 0.761 10 4 "[ . - *+ * 2]" 1
2098 2 73 ALA H 2 76 CYS HB3 . . 5.440 4.493 4.206 4.935 . 0 0 "[ . 1 . 2]" 1
2099 2 76 CYS HB3 2 77 GLN H . . 5.500 4.488 4.289 4.558 . 0 0 "[ . 1 . 2]" 1
2100 2 76 CYS HB2 2 77 GLN H . . 4.950 4.286 3.996 4.397 . 0 0 "[ . 1 . 2]" 1
2101 2 73 ALA HA 2 76 CYS HB3 . . 4.180 2.473 1.853 3.185 . 0 0 "[ . 1 . 2]" 1
2102 2 73 ALA HA 2 76 CYS HB2 . . 4.010 4.189 3.471 4.869 0.859 18 3 "[ . *- . + 2]" 1
2103 2 74 LYS HA 2 74 LYS QE . . 4.620 4.124 3.820 4.221 . 0 0 "[ . 1 . 2]" 1
2104 2 74 LYS HA 2 74 LYS QD . . 3.170 2.106 1.977 2.244 . 0 0 "[ . 1 . 2]" 1
2105 2 46 GLN HE22 2 49 LYS QE . . 4.000 3.206 2.405 4.182 0.182 15 0 "[ . 1 . 2]" 1
2106 2 63 LYS QE 2 64 GLN H . . 3.670 3.119 2.702 3.580 . 0 0 "[ . 1 . 2]" 1
2107 1 24 PHE HZ 2 40 LYS QE . . 4.730 3.901 2.742 5.112 0.382 16 0 "[ . 1 . 2]" 1
2108 2 40 LYS QE 2 41 MET H . . 5.450 5.152 3.951 6.071 0.621 16 1 "[ . 1 .+ 2]" 1
2109 2 74 LYS QE 2 74 LYS HG2 . . 2.870 2.435 2.386 2.480 . 0 0 "[ . 1 . 2]" 1
2110 2 74 LYS H 2 74 LYS QD . . 3.800 3.191 2.982 3.397 . 0 0 "[ . 1 . 2]" 1
2111 2 71 TYR HA 2 74 LYS QD . . 4.510 4.671 4.201 5.038 0.528 16 2 "[ . 1 .+ -]" 1
2112 2 74 LYS QD 2 74 LYS HG3 . . 2.780 2.356 2.294 2.378 . 0 0 "[ . 1 . 2]" 1
2113 2 74 LYS H 2 74 LYS HB2 . . 3.510 2.617 2.543 2.701 . 0 0 "[ . 1 . 2]" 1
2114 2 74 LYS HB3 2 75 HIS HD2 . . 4.370 4.729 3.839 5.063 0.693 1 9 "[+***. * * * . *-]" 1
2115 2 74 LYS HB2 2 74 LYS QE . . 4.510 4.345 4.313 4.542 0.032 5 0 "[ . 1 . 2]" 1
2116 2 71 TYR HA 2 74 LYS HB3 . . 4.820 4.822 4.670 4.954 0.134 7 0 "[ . 1 . 2]" 1
2117 2 74 LYS H 2 74 LYS HG2 . . 3.780 2.223 2.108 2.392 . 0 0 "[ . 1 . 2]" 1
2118 2 71 TYR HA 2 74 LYS HG3 . . 4.230 3.158 2.710 3.526 . 0 0 "[ . 1 . 2]" 1
2119 2 71 TYR HA 2 74 LYS HG2 . . 4.350 2.675 2.328 3.117 . 0 0 "[ . 1 . 2]" 1
2120 2 73 ALA HA 2 74 LYS HG2 . . 5.500 5.562 5.482 5.652 0.152 20 0 "[ . 1 . 2]" 1
2121 2 74 LYS HA 2 74 LYS HG3 . . 3.840 3.819 3.782 3.876 0.036 9 0 "[ . 1 . 2]" 1
2122 2 74 LYS HA 2 74 LYS HG2 . . 3.510 3.285 3.189 3.402 . 0 0 "[ . 1 . 2]" 1
2123 2 74 LYS QE 2 74 LYS HG3 . . 3.350 2.556 2.443 3.188 . 0 0 "[ . 1 . 2]" 1
2124 2 74 LYS HB3 2 74 LYS HG3 . . 2.920 2.421 2.393 2.477 . 0 0 "[ . 1 . 2]" 1
2125 2 76 CYS HA 2 77 GLN HA . . 4.590 4.480 4.465 4.502 . 0 0 "[ . 1 . 2]" 1
2126 2 77 GLN HA 2 77 GLN QG . . 3.520 3.276 2.430 3.619 0.099 12 0 "[ . 1 . 2]" 1
2127 2 77 GLN HB3 2 78 GLU H . . 4.700 4.528 4.079 4.680 . 0 0 "[ . 1 . 2]" 1
2128 2 77 GLN QG 2 78 GLU H . . 4.460 4.153 3.206 4.915 0.455 10 0 "[ . 1 . 2]" 1
2129 2 78 GLU HA 2 80 LYS H . . 4.630 3.665 3.285 3.997 . 0 0 "[ . 1 . 2]" 1
2130 2 78 GLU HA 2 78 GLU QG . . 3.560 2.922 2.440 3.360 . 0 0 "[ . 1 . 2]" 1
2131 2 78 GLU QG 2 81 CYS HA . . 4.470 3.532 2.597 4.406 . 0 0 "[ . 1 . 2]" 1
2132 2 78 GLU QG 2 81 CYS H . . 4.500 3.696 2.209 5.126 0.626 5 2 "[ + 1 - . 2]" 1
2133 2 78 GLU H 2 78 GLU QG . . 4.470 3.901 1.906 4.294 . 0 0 "[ . 1 . 2]" 1
2134 2 77 GLN H 2 78 GLU QG . . 5.500 5.509 3.618 6.131 0.631 20 5 "[- *. * 1 . *+]" 1
2135 2 79 ASN HA 2 91 GLN HE21 . . 4.770 4.039 3.048 5.075 0.305 16 0 "[ . 1 . 2]" 1
2136 2 79 ASN HB2 2 80 LYS H . . 4.680 4.189 3.988 4.345 . 0 0 "[ . 1 . 2]" 1
2137 2 79 ASN HB3 2 80 LYS H . . 4.720 4.074 3.919 4.288 . 0 0 "[ . 1 . 2]" 1
2138 2 53 ARG HA 2 56 ASN QB . . 3.990 2.082 1.813 2.876 . 0 0 "[ . 1 . 2]" 1
2139 2 78 GLU HA 2 79 ASN HB3 . . 4.540 4.444 4.331 4.563 0.023 13 0 "[ . 1 . 2]" 1
2140 2 79 ASN HB3 2 80 LYS HD2 . . 5.500 5.620 5.145 6.131 0.631 17 1 "[ . 1 . + 2]" 1
2141 2 79 ASN HB3 2 80 LYS HD3 . . 5.500 5.513 4.543 6.126 0.626 10 6 "[ *** + * - 2]" 1
2142 2 79 ASN HB3 2 87 LEU QD . . 4.800 3.956 3.598 4.658 . 0 0 "[ . 1 . 2]" 1
2143 2 81 CYS HA 2 82 PRO HG2 . . 4.530 4.268 4.085 4.475 . 0 0 "[ . 1 . 2]" 1
2144 2 78 GLU QG 2 81 CYS HB2 . . 5.090 3.094 1.779 4.199 . 0 0 "[ . 1 . 2]" 1
2145 2 81 CYS HB3 2 82 PRO HG2 . . 4.930 5.139 4.656 5.248 0.318 5 0 "[ . 1 . 2]" 1
2146 2 26 ALA MB 2 82 PRO HA . . 4.400 3.662 3.215 4.310 . 0 0 "[ . 1 . 2]" 1
2147 2 23 VAL MG1 2 82 PRO HG2 . . 5.160 2.494 2.154 3.381 . 0 0 "[ . 1 . 2]" 1
2148 2 23 VAL MG2 2 82 PRO HG2 . . 5.160 3.635 2.200 4.484 . 0 0 "[ . 1 . 2]" 1
2149 2 26 ALA MB 2 82 PRO HG2 . . 4.500 3.740 2.204 4.804 0.304 8 0 "[ . 1 . 2]" 1
2150 2 54 LYS HB2 2 85 PHE QE . . 5.500 3.294 2.323 3.891 . 0 0 "[ . 1 . 2]" 1
2151 2 72 HIS HD2 2 83 VAL HB . . 4.810 4.409 3.625 5.178 0.368 5 0 "[ . 1 . 2]" 1
2152 2 41 MET HA 2 45 VAL HB . . 5.500 4.990 4.163 6.419 0.919 7 3 "[ . + 1 *- . 2]" 1
2153 2 23 VAL H 2 83 VAL MG1 . . 5.500 4.716 3.304 5.805 0.305 10 0 "[ . 1 . 2]" 1
2154 2 83 VAL MG1 2 85 PHE QE . . 5.500 4.236 3.579 5.046 . 0 0 "[ . 1 . 2]" 1
2155 2 83 VAL MG1 2 85 PHE QD . . 4.900 2.903 1.960 4.147 . 0 0 "[ . 1 . 2]" 1
2156 2 83 VAL MG1 2 84 PRO HD2 . . 4.260 2.818 2.391 3.415 . 0 0 "[ . 1 . 2]" 1
2157 2 83 VAL MG1 2 86 CYS HB3 . . 4.770 3.883 3.055 5.040 0.270 15 0 "[ . 1 . 2]" 1
2158 2 69 ALA HA 2 83 VAL MG1 . . 5.100 4.038 3.123 5.247 0.147 6 0 "[ . 1 . 2]" 1
2159 2 83 VAL MG1 2 86 CYS HB2 . . 4.470 3.531 2.623 4.725 0.255 17 0 "[ . 1 . 2]" 1
2160 2 69 ALA MB 2 83 VAL MG1 . . 3.740 2.778 1.892 4.154 0.414 6 0 "[ . 1 . 2]" 1
2161 2 22 LEU HG 2 83 VAL MG1 . . 5.090 2.369 1.812 3.038 . 0 0 "[ . 1 . 2]" 1
2162 2 69 ALA MB 2 83 VAL MG2 . . 3.740 3.463 3.074 3.786 0.046 19 0 "[ . 1 . 2]" 1
2163 2 22 LEU HG 2 83 VAL MG2 . . 5.090 2.840 1.890 4.362 . 0 0 "[ . 1 . 2]" 1
2164 2 83 VAL MG2 2 86 CYS HB2 . . 4.470 3.062 1.967 3.825 . 0 0 "[ . 1 . 2]" 1
2165 2 83 VAL MG2 2 84 PRO HD3 . . 4.810 4.681 4.444 5.033 0.223 20 0 "[ . 1 . 2]" 1
2166 2 83 VAL MG2 2 84 PRO HD2 . . 4.260 4.099 3.780 4.531 0.271 2 0 "[ . 1 . 2]" 1
2167 2 23 VAL H 2 83 VAL MG2 . . 5.500 4.251 3.536 5.397 . 0 0 "[ . 1 . 2]" 1
2168 2 83 VAL MG2 2 86 CYS H . . 4.670 3.764 2.688 4.428 . 0 0 "[ . 1 . 2]" 1
2169 2 83 VAL H 2 83 VAL MG2 . . 4.000 2.029 1.872 2.195 . 0 0 "[ . 1 . 2]" 1
2170 2 83 VAL H 2 86 CYS HB2 . . 5.350 4.944 4.497 5.386 0.036 2 0 "[ . 1 . 2]" 1
2171 2 86 CYS HB2 2 87 LEU H . . 4.470 3.950 3.836 4.084 . 0 0 "[ . 1 . 2]" 1
2172 2 86 CYS HB3 2 87 LEU HB3 . . 5.500 5.887 5.778 6.023 0.523 16 1 "[ . 1 .+ 2]" 1
2173 2 86 CYS HB3 2 87 LEU HG . . 5.500 5.486 4.881 6.073 0.573 13 3 "[ . 1 + .- *2]" 1
2174 2 54 LYS HD2 2 62 CYS HB2 . . 4.620 4.547 3.906 5.044 0.424 14 0 "[ . 1 . 2]" 1
2175 2 83 VAL MG2 2 86 CYS HB3 . . 4.770 3.238 1.925 4.353 . 0 0 "[ . 1 . 2]" 1
2176 2 73 ALA MB 2 86 CYS HA . . 3.950 2.424 2.099 2.686 . 0 0 "[ . 1 . 2]" 1
2177 2 86 CYS HA 2 90 LYS QB . . 5.300 4.888 4.478 5.233 . 0 0 "[ . 1 . 2]" 1
2178 2 86 CYS HA 2 90 LYS HG2 . . 5.500 5.133 4.870 5.433 . 0 0 "[ . 1 . 2]" 1
2179 2 86 CYS HA 2 89 ILE MD . . 4.350 2.338 2.092 2.638 . 0 0 "[ . 1 . 2]" 1
2180 2 80 LYS HA 2 80 LYS QE . . 4.610 3.612 2.502 5.096 0.486 11 0 "[ . 1 . 2]" 1
2181 2 79 ASN HB2 2 80 LYS HA . . 5.480 5.014 4.831 5.204 . 0 0 "[ . 1 . 2]" 1
2182 2 80 LYS HA 2 81 CYS HB2 . . 5.500 5.106 4.787 5.428 . 0 0 "[ . 1 . 2]" 1
2183 2 80 LYS HA 2 80 LYS HD2 . . 4.160 3.254 2.178 4.964 0.804 17 6 "[ * . -* 1 * *. + 2]" 1
2184 2 80 LYS HA 2 87 LEU QD . . 3.330 3.637 3.473 3.770 0.440 10 0 "[ . 1 . 2]" 1
2185 2 80 LYS H 2 80 LYS QE . . 5.500 4.341 3.351 5.305 . 0 0 "[ . 1 . 2]" 1
2186 2 79 ASN QD 2 80 LYS QE . . 4.380 4.490 3.184 4.922 0.542 18 5 "[* * * 1 . + -]" 1
2187 2 80 LYS HD3 2 80 LYS QE . . 2.780 2.374 2.193 2.447 . 0 0 "[ . 1 . 2]" 1
2188 2 80 LYS QE 2 80 LYS HG3 . . 3.360 2.822 2.412 3.457 0.097 11 0 "[ . 1 . 2]" 1
2189 2 80 LYS H 2 80 LYS HB3 . . 4.200 3.698 3.638 3.813 . 0 0 "[ . 1 . 2]" 1
2190 2 80 LYS HB3 2 81 CYS H . . 5.070 4.419 4.126 4.539 . 0 0 "[ . 1 . 2]" 1
2191 2 80 LYS H 2 80 LYS HD2 . . 4.680 3.805 3.423 4.677 . 0 0 "[ . 1 . 2]" 1
2192 2 80 LYS HA 2 80 LYS HG2 . . 3.880 3.377 2.876 3.798 . 0 0 "[ . 1 . 2]" 1
2193 2 80 LYS HA 2 80 LYS HG3 . . 3.880 3.389 2.479 3.904 0.024 10 0 "[ . 1 . 2]" 1
2194 2 80 LYS QE 2 80 LYS HG2 . . 3.360 3.007 2.383 3.483 0.123 13 0 "[ . 1 . 2]" 1
2195 2 87 LEU HA 2 89 ILE H . . 5.060 4.092 3.830 4.293 . 0 0 "[ . 1 . 2]" 1
2196 2 87 LEU HA 2 90 LYS H . . 5.320 3.525 3.149 3.761 . 0 0 "[ . 1 . 2]" 1
2197 2 87 LEU HA 2 90 LYS HG2 . . 3.750 3.181 1.725 3.753 0.003 11 0 "[ . 1 . 2]" 1
2198 2 87 LEU HB3 2 91 GLN HE21 . . 5.220 4.291 3.573 5.113 . 0 0 "[ . 1 . 2]" 1
2199 2 87 LEU HG 2 88 ASN H . . 5.080 5.027 4.896 5.192 0.112 2 0 "[ . 1 . 2]" 1
2200 2 87 LEU HA 2 87 LEU HG . . 3.760 3.089 2.205 3.736 . 0 0 "[ . 1 . 2]" 1
2201 2 79 ASN HB2 2 87 LEU HG . . 5.500 4.847 3.214 6.054 0.554 14 1 "[ . 1 +. 2]" 1
2202 2 81 CYS HB2 2 87 LEU HG . . 5.500 5.365 4.536 5.999 0.499 16 0 "[ . 1 . 2]" 1
2203 2 87 LEU HB2 2 87 LEU HG . . 3.010 2.708 2.394 3.047 0.037 6 0 "[ . 1 . 2]" 1
2204 2 79 ASN HA 2 87 LEU QD . . 3.390 2.430 2.097 2.845 . 0 0 "[ . 1 . 2]" 1
2205 2 87 LEU HA 2 87 LEU QD . . 3.220 2.342 1.906 2.902 . 0 0 "[ . 1 . 2]" 1
2206 2 22 LEU HA 2 22 LEU MD2 . . 4.270 3.960 3.931 3.995 . 0 0 "[ . 1 . 2]" 1
2207 2 88 ASN HA 2 92 LYS H . . 4.200 3.731 3.289 4.152 . 0 0 "[ . 1 . 2]" 1
2208 2 88 ASN HB3 2 89 ILE H . . 4.180 3.934 3.719 4.101 . 0 0 "[ . 1 . 2]" 1
2209 2 84 PRO QB 2 88 ASN HB2 . . 5.310 5.526 4.935 5.806 0.496 16 0 "[ . 1 . 2]" 1
2210 2 87 LEU HB3 2 88 ASN HB2 . . 5.500 5.497 5.009 5.797 0.297 3 0 "[ . 1 . 2]" 1
2211 2 89 ILE HA 2 90 LYS HA . . 4.980 4.707 4.653 4.814 . 0 0 "[ . 1 . 2]" 1
2212 2 89 ILE HA 2 89 ILE HG12 . . 3.680 2.683 2.630 2.724 . 0 0 "[ . 1 . 2]" 1
2213 2 89 ILE HA 2 92 LYS QG . . 5.050 4.988 4.244 5.422 0.372 18 0 "[ . 1 . 2]" 1
2214 2 89 ILE HA 2 89 ILE MD . . 3.900 3.914 3.893 3.935 0.035 15 0 "[ . 1 . 2]" 1
2215 2 89 ILE HA 2 89 ILE HG13 . . 3.770 2.927 2.876 2.964 . 0 0 "[ . 1 . 2]" 1
2216 2 88 ASN H 2 89 ILE HB . . 5.280 4.945 4.825 5.084 . 0 0 "[ . 1 . 2]" 1
2217 2 89 ILE HB 2 91 GLN H . . 5.500 4.818 4.621 5.002 . 0 0 "[ . 1 . 2]" 1
2218 2 89 ILE H 2 89 ILE HB . . 3.740 2.463 2.405 2.512 . 0 0 "[ . 1 . 2]" 1
2219 2 89 ILE HB 2 90 LYS H . . 3.970 2.551 2.278 2.795 . 0 0 "[ . 1 . 2]" 1
2220 2 70 ALA HA 2 89 ILE HB . . 4.270 4.024 3.611 4.482 0.212 9 0 "[ . 1 . 2]" 1
2221 2 86 CYS HA 2 89 ILE HB . . 4.290 2.933 2.559 3.226 . 0 0 "[ . 1 . 2]" 1
2222 2 88 ASN HB2 2 89 ILE HB . . 5.170 5.037 4.770 5.427 0.257 1 0 "[ . 1 . 2]" 1
2223 2 70 ALA MB 2 89 ILE HB . . 5.310 4.981 4.530 5.287 . 0 0 "[ . 1 . 2]" 1
2224 2 89 ILE HB 2 90 LYS HG3 . . 5.500 4.466 3.921 5.390 . 0 0 "[ . 1 . 2]" 1
2225 2 89 ILE HB 2 90 LYS QB . . 4.270 3.869 3.607 4.121 . 0 0 "[ . 1 . 2]" 1
2226 2 89 ILE H 2 89 ILE HG12 . . 4.200 3.679 3.499 3.755 . 0 0 "[ . 1 . 2]" 1
2227 2 70 ALA HA 2 89 ILE HG13 . . 4.490 4.754 4.643 4.938 0.448 9 0 "[ . 1 . 2]" 1
2228 2 86 CYS HA 2 89 ILE HG13 . . 4.760 3.818 3.487 4.119 . 0 0 "[ . 1 . 2]" 1
2229 2 70 ALA H 2 89 ILE MG . . 5.010 4.869 4.483 5.417 0.407 9 0 "[ . 1 . 2]" 1
2230 2 89 ILE MG 2 90 LYS H . . 3.010 3.380 3.131 3.542 0.532 16 6 "[ . * 1 -* .+* *2]" 1
2231 2 73 ALA H 2 89 ILE MG . . 4.800 4.420 3.995 4.687 . 0 0 "[ . 1 . 2]" 1
2232 2 89 ILE MG 2 91 GLN H . . 4.810 4.916 4.781 5.080 0.270 15 0 "[ . 1 . 2]" 1
2233 2 70 ALA MB 2 89 ILE MG . . 3.310 3.123 2.636 3.533 0.223 9 0 "[ . 1 . 2]" 1
2234 2 89 ILE MG 2 90 LYS QB . . 3.540 3.697 3.302 4.229 0.689 16 3 "[ -* . 1 .+ 2]" 1
2235 2 89 ILE HG12 2 89 ILE MG . . 2.820 2.399 2.367 2.424 . 0 0 "[ . 1 . 2]" 1
2236 2 73 ALA MB 2 89 ILE MG . . 2.650 2.351 2.167 2.719 0.069 1 0 "[ . 1 . 2]" 1
2237 2 70 ALA HA 2 89 ILE MG . . 2.870 2.396 1.927 2.960 0.090 9 0 "[ . 1 . 2]" 1
2238 2 86 CYS HA 2 89 ILE MG . . 4.030 4.156 3.772 4.419 0.389 1 0 "[ . 1 . 2]" 1
2239 2 89 ILE HA 2 89 ILE MG . . 2.870 2.511 2.476 2.578 . 0 0 "[ . 1 . 2]" 1
2240 2 74 LYS QE 2 89 ILE MG . . 4.160 3.232 2.415 4.424 0.264 11 0 "[ . 1 . 2]" 1
2241 2 89 ILE HG13 2 89 ILE MG . . 3.160 3.257 3.247 3.265 0.105 2 0 "[ . 1 . 2]" 1
2242 2 73 ALA H 2 89 ILE MD . . 4.510 4.169 4.062 4.348 . 0 0 "[ . 1 . 2]" 1
2243 2 69 ALA H 2 89 ILE MD . . 4.840 4.454 4.195 4.804 . 0 0 "[ . 1 . 2]" 1
2244 2 70 ALA H 2 89 ILE MD . . 3.410 3.169 2.983 3.464 0.054 9 0 "[ . 1 . 2]" 1
2245 2 89 ILE H 2 89 ILE MD . . 3.470 3.507 3.394 3.571 0.101 7 0 "[ . 1 . 2]" 1
2246 2 86 CYS H 2 89 ILE MD . . 4.020 3.793 3.573 3.955 . 0 0 "[ . 1 . 2]" 1
2247 2 72 HIS HD2 2 89 ILE MD . . 4.840 4.903 4.763 5.039 0.199 20 0 "[ . 1 . 2]" 1
2248 2 85 PHE QD 2 89 ILE MD . . 4.060 4.131 3.705 4.445 0.385 2 0 "[ . 1 . 2]" 1
2249 2 70 ALA HA 2 89 ILE MD . . 2.930 1.843 1.753 2.031 . 0 0 "[ . 1 . 2]" 1
2250 2 85 PHE HB3 2 89 ILE MD . . 3.390 2.591 2.180 2.922 . 0 0 "[ . 1 . 2]" 1
2251 2 85 PHE HB2 2 89 ILE MD . . 3.470 3.473 3.227 3.593 0.123 15 0 "[ . 1 . 2]" 1
2252 2 88 ASN HB2 2 89 ILE MD . . 4.710 4.407 4.125 4.717 0.007 1 0 "[ . 1 . 2]" 1
2253 2 89 ILE HB 2 89 ILE MD . . 2.960 2.400 2.374 2.435 . 0 0 "[ . 1 . 2]" 1
2254 2 66 ILE MD 2 89 ILE MD . . 3.490 2.890 2.631 3.144 . 0 0 "[ . 1 . 2]" 1
2255 2 87 LEU QD 2 90 LYS HE3 . . 4.540 3.597 3.309 3.863 . 0 0 "[ . 1 . 2]" 1
2256 2 87 LEU QD 2 90 LYS HE2 . . 4.540 4.183 3.843 4.562 0.022 3 0 "[ . 1 . 2]" 1
2257 2 87 LEU HA 2 90 LYS HG3 . . 3.430 2.320 1.860 2.592 . 0 0 "[ . 1 . 2]" 1
2258 2 91 GLN HA 2 91 GLN HE22 . . 5.500 5.138 4.308 6.059 0.559 3 2 "[ + . 1 -. 2]" 1
2259 2 91 GLN HA 2 91 GLN HB3 . . 2.970 2.541 2.496 2.608 . 0 0 "[ . 1 . 2]" 1
2260 2 91 GLN HA 2 91 GLN HG2 . . 3.850 2.899 2.510 3.180 . 0 0 "[ . 1 . 2]" 1
2261 2 90 LYS HG3 2 91 GLN HA . . 4.360 4.629 3.634 5.119 0.759 17 7 "[ -* *1 **. + *2]" 1
2262 2 90 LYS QB 2 91 GLN HA . . 4.540 4.692 4.576 4.843 0.303 18 0 "[ . 1 . 2]" 1
2263 2 91 GLN H 2 91 GLN HG3 . . 3.590 3.513 2.529 4.189 0.599 5 2 "[ + 1 . - 2]" 1
2264 2 91 GLN H 2 91 GLN HG2 . . 3.590 3.111 2.415 4.087 0.497 14 0 "[ . 1 . 2]" 1
2265 2 36 PRO HA 2 39 GLN HG3 . . 3.670 3.697 3.061 4.528 0.858 9 1 "[ . +1 . 2]" 1
2266 2 91 GLN HA 2 91 GLN HG3 . . 3.850 3.571 3.039 3.868 0.018 20 0 "[ . 1 . 2]" 1
2267 2 91 GLN HB3 2 92 LYS H . . 3.360 3.507 3.229 3.658 0.298 19 0 "[ . 1 . 2]" 1
2268 2 88 ASN HA 2 91 GLN HB2 . . 4.770 3.230 2.716 3.572 . 0 0 "[ . 1 . 2]" 1
2269 2 88 ASN HA 2 91 GLN HB3 . . 4.770 4.824 4.318 5.123 0.353 6 0 "[ . 1 . 2]" 1
2270 2 91 GLN HB2 2 92 LYS HA . . 4.700 4.505 4.329 4.683 . 0 0 "[ . 1 . 2]" 1
2271 2 91 GLN HB3 2 92 LYS HA . . 4.250 4.419 4.167 4.637 0.387 16 0 "[ . 1 . 2]" 1
2272 2 92 LYS H 2 92 LYS QE . . 4.570 4.435 3.989 5.001 0.431 10 0 "[ . 1 . 2]" 1
2273 2 92 LYS HA 2 92 LYS QE . . 4.220 3.585 2.487 4.318 0.098 18 0 "[ . 1 . 2]" 1
2274 2 92 LYS QE 2 92 LYS QG . . 2.610 2.339 2.173 2.457 . 0 0 "[ . 1 . 2]" 1
2275 2 92 LYS H 2 92 LYS HB2 . . 3.770 2.616 2.507 2.748 . 0 0 "[ . 1 . 2]" 1
2276 2 92 LYS HB2 2 92 LYS QE . . 4.700 4.103 3.472 4.575 . 0 0 "[ . 1 . 2]" 1
2277 2 92 LYS HA 2 92 LYS QD . . 3.110 2.191 2.067 2.326 . 0 0 "[ . 1 . 2]" 1
2278 2 92 LYS QD 2 92 LYS QG . . 2.400 2.078 2.017 2.119 . 0 0 "[ . 1 . 2]" 1
2279 2 92 LYS HA 2 92 LYS QG . . 3.250 3.125 3.035 3.251 0.001 14 0 "[ . 1 . 2]" 1
2280 2 89 ILE H 2 92 LYS QG . . 5.190 5.206 4.686 5.764 0.574 13 1 "[ . 1 + . 2]" 1
2281 2 26 ALA MB 2 84 PRO HD3 . . 4.630 3.281 2.439 3.874 . 0 0 "[ . 1 . 2]" 1
2282 2 49 LYS HG3 2 84 PRO QG . . 4.520 3.158 2.566 3.633 . 0 0 "[ . 1 . 2]" 1
2283 2 84 PRO QB 2 85 PHE QD . . 5.500 4.751 4.574 4.934 . 0 0 "[ . 1 . 2]" 1
2284 2 84 PRO QB 2 88 ASN HD22 . . 5.500 3.891 3.512 4.238 . 0 0 "[ . 1 . 2]" 1
2285 2 84 PRO QB 2 85 PHE QE . . 5.140 5.340 5.064 5.594 0.454 13 0 "[ . 1 . 2]" 1
2286 2 45 VAL MG1 2 48 THR HG1 . . 5.450 4.128 3.373 4.886 . 0 0 "[ . 1 . 2]" 1
2287 2 45 VAL MG2 2 48 THR HG1 . . 5.450 3.871 2.939 4.785 . 0 0 "[ . 1 . 2]" 1
2288 2 48 THR HG1 2 49 LYS HG2 . . 5.240 4.559 3.866 5.174 . 0 0 "[ . 1 . 2]" 1
2289 2 48 THR HG1 2 49 LYS HG3 . . 4.900 3.032 2.431 3.623 . 0 0 "[ . 1 . 2]" 1
2290 2 48 THR HG1 2 49 LYS QB . . 5.270 4.379 3.901 4.911 . 0 0 "[ . 1 . 2]" 1
2291 2 45 VAL HA 2 48 THR HG1 . . 4.650 2.380 2.003 3.100 . 0 0 "[ . 1 . 2]" 1
2292 2 2 SER QB 2 4 THR HB . . 4.170 3.597 2.546 5.009 0.839 2 1 "[ + . 1 . 2]" 1
2293 2 2 SER QB 2 3 ALA MB . . 4.120 4.290 3.266 5.057 0.937 12 3 "[ * 1 + - 2]" 1
2294 2 2 SER QB 2 4 THR MG . . 4.050 2.985 2.056 4.833 0.783 2 2 "[ + - 1 . 2]" 1
2295 2 52 LYS HA 2 55 THR MG . . 4.230 3.347 2.693 4.468 0.238 2 0 "[ . 1 . 2]" 1
2296 2 5 GLN HA 2 6 SER HA . . 4.690 4.435 4.318 4.572 . 0 0 "[ . 1 . 2]" 1
2297 2 11 ARG HG3 2 12 ARG HA . . 4.250 3.491 3.271 3.760 . 0 0 "[ . 1 . 2]" 1
2298 2 35 LEU HG 2 37 SER QB . . 4.680 3.382 3.130 3.705 . 0 0 "[ . 1 . 2]" 1
2299 2 35 LEU HG 2 37 SER H . . 4.380 3.313 3.139 3.598 . 0 0 "[ . 1 . 2]" 1
2300 2 9 ASP HA 2 11 ARG HG2 . . 4.900 4.834 4.611 4.992 0.092 19 0 "[ . 1 . 2]" 1
2301 2 10 SER HA 2 13 LEU H . . 4.830 3.786 3.616 4.036 . 0 0 "[ . 1 . 2]" 1
2302 2 14 SER QB 2 15 ILE H . . 3.870 2.897 2.540 3.511 . 0 0 "[ . 1 . 2]" 1
2303 1 29 PRO HD3 2 14 SER QB . . 4.490 2.565 2.087 2.967 . 0 0 "[ . 1 . 2]" 1
2304 2 15 ILE MD 2 18 ALA H . . 4.220 4.707 4.461 4.901 0.681 15 10 "[ ** . * ** +*** -]" 1
2305 2 15 ILE QG 2 18 ALA MB . . 4.410 3.585 3.317 3.779 . 0 0 "[ . 1 . 2]" 1
2306 2 15 ILE MG 2 18 ALA H . . 5.500 5.100 4.973 5.192 . 0 0 "[ . 1 . 2]" 1
2307 2 17 ARG H 2 17 ARG QD . . 4.050 3.907 3.729 4.280 0.230 20 0 "[ . 1 . 2]" 1
2308 2 43 ARG QD 2 44 VAL HA . . 3.970 4.182 2.894 5.107 1.137 16 7 "[ * . * ** *.+ -]" 1
2309 1 28 PHE QD 2 18 ALA HA . . 4.880 3.850 3.563 4.377 . 0 0 "[ . 1 . 2]" 1
2310 2 18 ALA HA 2 68 LEU HG . . 5.500 4.697 4.349 5.119 . 0 0 "[ . 1 . 2]" 1
2311 2 18 ALA MB 2 68 LEU HG . . 4.080 2.459 1.978 3.007 . 0 0 "[ . 1 . 2]" 1
2312 2 17 ARG H 2 18 ALA MB . . 4.490 4.271 4.190 4.353 . 0 0 "[ . 1 . 2]" 1
2313 2 19 ILE MD 2 69 ALA H . . 5.500 5.405 5.001 5.908 0.408 14 0 "[ . 1 . 2]" 1
2314 2 16 GLN HG3 2 19 ILE MD . . 4.240 3.951 3.753 4.136 . 0 0 "[ . 1 . 2]" 1
2315 2 19 ILE QG 2 72 HIS HB3 . . 5.460 3.886 3.596 4.195 . 0 0 "[ . 1 . 2]" 1
2316 2 17 ARG HA 2 20 GLN QG . . 3.710 3.203 2.709 3.951 0.241 6 0 "[ . 1 . 2]" 1
2317 2 16 GLN HA 2 20 GLN QG . . 4.700 4.022 3.664 4.300 . 0 0 "[ . 1 . 2]" 1
2318 2 18 ALA H 2 20 GLN QG . . 5.180 5.245 5.038 5.574 0.394 20 0 "[ . 1 . 2]" 1
2319 2 21 SER QB 2 22 LEU H . . 3.930 2.646 2.543 2.770 . 0 0 "[ . 1 . 2]" 1
2320 2 22 LEU HG 2 23 VAL H . . 4.680 3.746 3.646 3.825 . 0 0 "[ . 1 . 2]" 1
2321 2 22 LEU HG 2 23 VAL HA . . 5.460 3.915 3.835 4.032 . 0 0 "[ . 1 . 2]" 1
2322 2 23 VAL HA 2 82 PRO HG3 . . 5.500 3.690 3.195 4.184 . 0 0 "[ . 1 . 2]" 1
2323 2 25 ALA H 2 45 VAL MG1 . . 5.500 4.628 3.986 5.182 . 0 0 "[ . 1 . 2]" 1
2324 2 70 ALA HA 2 89 ILE HG12 . . 3.990 4.116 3.923 4.357 0.367 9 0 "[ . 1 . 2]" 1
2325 2 25 ALA HA 2 27 GLN H . . 4.700 4.265 4.061 4.488 . 0 0 "[ . 1 . 2]" 1
2326 2 24 HIS HB3 2 25 ALA MB . . 3.990 3.647 3.533 3.765 . 0 0 "[ . 1 . 2]" 1
2327 2 25 ALA MB 2 42 LYS QB . . 4.300 3.619 3.355 3.925 . 0 0 "[ . 1 . 2]" 1
2328 2 22 LEU HA 2 25 ALA MB . . 3.550 3.291 3.089 3.676 0.126 13 0 "[ . 1 . 2]" 1
2329 2 26 ALA MB 2 28 CYS H . . 4.340 4.332 4.267 4.460 0.120 17 0 "[ . 1 . 2]" 1
2330 2 26 ALA HA 2 27 GLN HA . . 4.730 4.779 4.733 4.834 0.104 10 0 "[ . 1 . 2]" 1
2331 2 23 VAL HA 2 27 GLN HG3 . . 4.750 4.245 3.982 4.462 . 0 0 "[ . 1 . 2]" 1
2332 2 28 CYS HA 2 30 ASN QD . . 5.440 5.062 4.293 5.595 0.155 10 0 "[ . 1 . 2]" 1
2333 2 27 GLN HB2 2 28 CYS HA . . 4.720 4.400 4.205 4.572 . 0 0 "[ . 1 . 2]" 1
2334 2 28 CYS HA 2 29 ARG QB . . 5.160 4.620 4.403 4.798 . 0 0 "[ . 1 . 2]" 1
2335 2 29 ARG QD 2 30 ASN HA . . 5.500 5.818 4.401 6.297 0.797 4 8 "[ *+- * 1 ** * *]" 1
2336 2 30 ASN HA 2 31 ALA HA . . 4.400 4.454 4.342 4.563 0.163 5 0 "[ . 1 . 2]" 1
2337 2 54 LYS HA 2 55 THR HA . . 5.500 4.713 4.608 4.840 . 0 0 "[ . 1 . 2]" 1
2338 2 35 LEU H 2 35 LEU HG . . 3.340 3.155 3.037 3.313 . 0 0 "[ . 1 . 2]" 1
2339 2 36 PRO HA 2 39 GLN HG2 . . 4.430 3.607 2.814 4.253 . 0 0 "[ . 1 . 2]" 1
2340 2 38 CYS HA 2 40 LYS H . . 5.240 4.750 4.583 4.954 . 0 0 "[ . 1 . 2]" 1
2341 2 38 CYS HB3 2 39 GLN HA . . 4.750 4.293 4.162 4.427 . 0 0 "[ . 1 . 2]" 1
2342 2 38 CYS HB3 2 39 GLN HB2 . . 5.130 4.969 4.660 5.524 0.394 20 0 "[ . 1 . 2]" 1
2343 2 49 LYS QE 2 84 PRO QG . . 3.650 3.488 2.126 4.206 0.556 19 1 "[ . 1 . +2]" 1
2344 2 42 LYS QB 2 46 GLN QG . . 5.500 3.154 2.819 3.491 . 0 0 "[ . 1 . 2]" 1
2345 2 42 LYS QB 2 44 VAL H . . 5.500 4.907 4.648 5.059 . 0 0 "[ . 1 . 2]" 1
2346 2 42 LYS QB 2 42 LYS QD . . 3.450 2.371 2.249 2.440 . 0 0 "[ . 1 . 2]" 1
2347 2 8 GLY QA 2 11 ARG HG2 . . 4.030 2.319 2.126 2.507 . 0 0 "[ . 1 . 2]" 1
2348 2 41 MET ME 2 44 VAL HB . . 5.290 5.155 3.850 5.779 0.489 7 0 "[ . 1 . 2]" 1
2349 2 44 VAL HB 2 65 LEU HG . . 5.500 5.708 4.759 6.051 0.551 10 4 "[ . + -* . * 2]" 1
2350 2 44 VAL MG2 2 48 THR H . . 5.500 4.145 3.840 5.669 0.169 16 0 "[ . 1 . 2]" 1
2351 2 26 ALA H 2 45 VAL HB . . 5.400 4.831 4.381 5.250 . 0 0 "[ . 1 . 2]" 1
2352 2 44 VAL H 2 45 VAL MG1 . . 5.500 4.914 4.032 5.898 0.398 2 0 "[ . 1 . 2]" 1
2353 2 46 GLN HB3 2 46 GLN HE21 . . 4.750 4.549 4.528 4.573 . 0 0 "[ . 1 . 2]" 1
2354 2 46 GLN HB3 2 49 LYS QD . . 4.480 4.075 3.701 4.631 0.151 15 0 "[ . 1 . 2]" 1
2355 2 47 HIS HA 2 49 LYS H . . 5.500 4.505 4.278 4.678 . 0 0 "[ . 1 . 2]" 1
2356 2 48 THR HB 2 54 LYS HD2 . . 4.610 3.889 3.004 5.056 0.446 15 0 "[ . 1 . 2]" 1
2357 2 44 VAL MG2 2 48 THR MG . . 4.080 2.574 2.121 4.595 0.515 16 1 "[ . 1 .+ 2]" 1
2358 2 22 LEU HA 2 22 LEU HG . . 3.850 3.325 3.254 3.400 . 0 0 "[ . 1 . 2]" 1
2359 2 46 GLN HE21 2 49 LYS QD . . 4.430 4.385 3.983 4.848 0.418 17 0 "[ . 1 . 2]" 1
2360 2 49 LYS QD 2 50 GLY H . . 4.880 4.782 4.511 5.066 0.186 5 0 "[ . 1 . 2]" 1
2361 2 46 GLN QG 2 49 LYS QE . . 5.060 4.680 4.001 5.267 0.207 15 0 "[ . 1 . 2]" 1
2362 2 45 VAL HB 2 49 LYS QE . . 4.650 4.452 2.889 4.998 0.348 8 0 "[ . 1 . 2]" 1
2363 2 45 VAL HA 2 49 LYS QE . . 4.450 4.512 4.186 4.892 0.442 7 0 "[ . 1 . 2]" 1
2364 2 45 VAL HA 2 49 LYS HG3 . . 4.890 4.369 4.184 4.521 . 0 0 "[ . 1 . 2]" 1
2365 2 52 LYS HA 2 54 LYS H . . 4.810 3.531 3.149 3.745 . 0 0 "[ . 1 . 2]" 1
2366 2 52 LYS HB3 2 53 ARG H . . 4.550 4.078 3.946 4.246 . 0 0 "[ . 1 . 2]" 1
2367 2 80 LYS HA 2 80 LYS HD3 . . 4.160 3.899 3.766 4.685 0.525 17 1 "[ . 1 . + 2]" 1
2368 2 50 GLY HA2 2 52 LYS QE . . 5.500 5.301 4.591 6.207 0.707 10 3 "[ .* + - . 2]" 1
2369 2 54 LYS H 2 54 LYS HD2 . . 5.020 4.779 4.659 4.859 . 0 0 "[ . 1 . 2]" 1
2370 2 48 THR HB 2 54 LYS QE . . 5.120 4.072 2.869 5.573 0.453 15 0 "[ . 1 . 2]" 1
2371 2 54 LYS QE 2 55 THR HB . . 5.500 4.395 3.387 5.218 . 0 0 "[ . 1 . 2]" 1
2372 2 54 LYS HG2 2 55 THR HB . . 4.320 4.156 3.474 4.689 0.369 17 0 "[ . 1 . 2]" 1
2373 2 52 LYS HB3 2 55 THR MG . . 3.710 3.494 2.576 4.450 0.740 2 1 "[ + . 1 . 2]" 1
2374 2 54 LYS HG3 2 55 THR MG . . 3.820 3.479 2.641 4.445 0.625 2 2 "[ + . 1 . -]" 1
2375 2 55 THR MG 2 56 ASN HA . . 4.600 3.467 3.167 3.794 . 0 0 "[ . 1 . 2]" 1
2376 2 55 THR H 2 56 ASN QB . . 4.860 4.006 3.555 4.433 . 0 0 "[ . 1 . 2]" 1
2377 2 54 LYS HB2 2 59 CYS QB . . 5.100 3.781 3.491 3.893 . 0 0 "[ . 1 . 2]" 1
2378 2 53 ARG QG 2 59 CYS QB . . 4.680 1.841 1.656 2.093 . 0 0 "[ . 1 . 2]" 1
2379 2 60 PRO HB2 2 61 ILE QG . . 4.450 4.681 4.414 4.882 0.432 4 0 "[ . 1 . 2]" 1
2380 1 18 LEU H 2 61 ILE QG . . 5.500 4.813 4.562 4.987 . 0 0 "[ . 1 . 2]" 1
2381 2 61 ILE QG 2 63 LYS H . . 5.500 5.062 4.965 5.144 . 0 0 "[ . 1 . 2]" 1
2382 2 61 ILE MG 2 65 LEU HG . . 3.630 3.546 3.309 3.837 0.207 5 0 "[ . 1 . 2]" 1
2383 1 24 PHE QE 2 40 LYS QE . . 4.320 3.585 2.351 5.043 0.723 7 2 "[- . + 1 . 2]" 1
2384 2 60 PRO HB2 2 63 LYS QE . . 3.990 3.839 3.145 4.815 0.825 9 1 "[ . +1 . 2]" 1
2385 2 63 LYS QE 2 64 GLN QB . . 4.460 3.886 2.624 4.793 0.333 6 0 "[ . 1 . 2]" 1
2386 2 40 LYS HA 2 40 LYS QE . . 3.760 3.589 2.209 4.563 0.803 9 5 "[ * . -+1 *.* 2]" 1
2387 2 48 THR MG 2 65 LEU HB2 . . 4.530 3.269 3.018 3.535 . 0 0 "[ . 1 . 2]" 1
2388 2 22 LEU MD2 2 65 LEU HB3 . . 5.070 2.916 2.409 3.512 . 0 0 "[ . 1 . 2]" 1
2389 2 62 CYS HA 2 65 LEU MD1 . . 4.620 3.276 3.077 3.582 . 0 0 "[ . 1 . 2]" 1
2390 2 62 CYS HA 2 65 LEU MD2 . . 4.620 4.444 4.197 4.627 0.007 13 0 "[ . 1 . 2]" 1
2391 1 24 PHE QD 2 65 LEU HG . . 5.330 4.497 4.040 5.305 . 0 0 "[ . 1 . 2]" 1
2392 2 65 LEU HG 2 85 PHE QE . . 5.500 4.501 4.214 5.022 . 0 0 "[ . 1 . 2]" 1
2393 2 54 LYS HD2 2 66 ILE MD . . 4.640 4.157 3.406 4.911 0.271 9 0 "[ . 1 . 2]" 1
2394 2 63 LYS HG2 2 66 ILE MG . . 3.730 3.305 3.012 3.590 . 0 0 "[ . 1 . 2]" 1
2395 2 63 LYS QE 2 66 ILE MG . . 5.500 5.033 4.636 5.257 . 0 0 "[ . 1 . 2]" 1
2396 2 62 CYS HA 2 66 ILE MG . . 4.590 4.864 4.728 5.030 0.440 6 0 "[ . 1 . 2]" 1
2397 2 70 ALA MB 2 72 HIS H . . 4.280 4.357 4.305 4.400 0.120 20 0 "[ . 1 . 2]" 1
2398 2 65 LEU H 2 67 ALA MB . . 4.860 4.638 4.510 4.779 . 0 0 "[ . 1 . 2]" 1
2399 2 68 LEU HB3 2 68 LEU MD1 . . 3.610 2.642 2.504 2.872 . 0 0 "[ . 1 . 2]" 1
2400 2 69 ALA MB 2 72 HIS H . . 4.580 4.726 4.637 4.858 0.278 13 0 "[ . 1 . 2]" 1
2401 2 64 GLN HA 2 67 ALA MB . . 2.840 2.597 2.352 2.965 0.125 5 0 "[ . 1 . 2]" 1
2402 2 69 ALA HA 2 72 HIS HA . . 5.480 5.197 5.019 5.388 . 0 0 "[ . 1 . 2]" 1
2403 2 72 HIS HA 2 73 ALA HA . . 5.500 4.819 4.789 4.848 . 0 0 "[ . 1 . 2]" 1
2404 2 73 ALA MB 2 74 LYS HG2 . . 3.910 3.931 3.764 4.116 0.206 11 0 "[ . 1 . 2]" 1
2405 2 72 HIS H 2 73 ALA MB . . 4.440 4.423 4.315 4.527 0.087 20 0 "[ . 1 . 2]" 1
2406 2 73 ALA MB 2 75 HIS H . . 4.450 4.492 4.348 4.674 0.224 8 0 "[ . 1 . 2]" 1
2407 2 70 ALA H 2 73 ALA MB . . 5.060 4.599 4.459 4.734 . 0 0 "[ . 1 . 2]" 1
2408 2 74 LYS HB3 2 75 HIS H . . 4.010 3.998 3.737 4.261 0.251 12 0 "[ . 1 . 2]" 1
2409 2 71 TYR H 2 74 LYS QE . . 5.360 4.731 4.246 5.331 . 0 0 "[ . 1 . 2]" 1
2410 2 81 CYS HB2 2 86 CYS HB3 . . 4.740 4.443 2.914 4.878 0.138 4 0 "[ . 1 . 2]" 1
2411 2 81 CYS HA 2 82 PRO HA . . 4.740 4.512 4.484 4.567 . 0 0 "[ . 1 . 2]" 1
2412 2 26 ALA MB 2 82 PRO HB3 . . 4.710 3.328 2.931 3.721 . 0 0 "[ . 1 . 2]" 1
2413 2 27 GLN HG3 2 82 PRO HG3 . . 4.450 3.365 1.778 4.468 0.018 8 0 "[ . 1 . 2]" 1
2414 2 81 CYS HA 2 82 PRO HG3 . . 4.770 4.526 4.477 4.596 . 0 0 "[ . 1 . 2]" 1
2415 2 83 VAL MG2 2 84 PRO QG . . 5.330 5.318 5.183 5.517 0.187 18 0 "[ . 1 . 2]" 1
2416 2 84 PRO QG 2 85 PHE HA . . 5.370 4.174 4.075 4.271 . 0 0 "[ . 1 . 2]" 1
2417 2 24 HIS HA 2 24 HIS HD2 . . 5.090 4.653 4.492 4.726 . 0 0 "[ . 1 . 2]" 1
2418 2 85 PHE HA 2 85 PHE QE . . 5.490 4.664 4.537 4.929 . 0 0 "[ . 1 . 2]" 1
2419 2 73 ALA HA 2 86 CYS HB3 . . 5.500 5.615 5.448 5.854 0.354 11 0 "[ . 1 . 2]" 1
2420 2 86 CYS H 2 87 LEU HB2 . . 5.310 4.785 4.607 5.040 . 0 0 "[ . 1 . 2]" 1
2421 2 87 LEU HB3 2 88 ASN HA . . 5.190 4.002 3.854 4.180 . 0 0 "[ . 1 . 2]" 1
2422 2 87 LEU HB3 2 89 ILE H . . 4.800 5.049 4.948 5.110 0.310 14 0 "[ . 1 . 2]" 1
2423 2 87 LEU HB2 2 89 ILE H . . 4.920 5.009 4.883 5.130 0.210 12 0 "[ . 1 . 2]" 1
2424 2 87 LEU HB3 2 88 ASN HD21 . . 4.890 3.780 2.892 4.265 . 0 0 "[ . 1 . 2]" 1
2425 2 87 LEU HG 2 91 GLN HE21 . . 5.080 4.229 3.269 5.018 . 0 0 "[ . 1 . 2]" 1
2426 2 85 PHE HA 2 88 ASN HB2 . . 4.540 2.809 2.304 3.272 . 0 0 "[ . 1 . 2]" 1
2427 2 85 PHE HA 2 88 ASN HB3 . . 4.700 4.391 3.915 4.946 0.246 13 0 "[ . 1 . 2]" 1
2428 2 85 PHE HA 2 89 ILE MD . . 3.530 3.977 3.691 4.145 0.615 5 9 "[ *-+ **1* ** * 2]" 1
2429 2 85 PHE HA 2 89 ILE HG12 . . 5.450 5.338 4.921 5.551 0.101 2 0 "[ . 1 . 2]" 1
2430 2 70 ALA MB 2 89 ILE HG13 . . 4.730 4.871 4.713 4.983 0.253 15 0 "[ . 1 . 2]" 1
2431 2 91 GLN HA 2 91 GLN HE21 . . 5.130 4.835 4.245 5.067 . 0 0 "[ . 1 . 2]" 1
2432 2 89 ILE H 2 91 GLN HB2 . . 5.120 5.041 4.836 5.259 0.139 9 0 "[ . 1 . 2]" 1
2433 2 90 LYS H 2 91 GLN HB2 . . 5.500 4.672 4.494 4.849 . 0 0 "[ . 1 . 2]" 1
2434 2 35 LEU HA 2 39 GLN HG3 . . 5.500 5.673 5.266 6.045 0.545 12 2 "[ . 1 + -. 2]" 1
2435 2 90 LYS QB 2 90 LYS HE2 . . 4.250 3.094 1.902 4.131 . 0 0 "[ . 1 . 2]" 1
2436 2 92 LYS HB3 2 92 LYS QE . . 4.700 3.405 2.009 4.314 . 0 0 "[ . 1 . 2]" 1
2437 2 91 GLN HB2 2 92 LYS QG . . 3.810 2.874 2.681 3.450 . 0 0 "[ . 1 . 2]" 1
2438 1 17 GLU QB 2 61 ILE MG . . 3.860 3.357 2.272 4.141 0.281 17 0 "[ . 1 . 2]" 1
2439 1 17 GLU QG 2 61 ILE MD . . 5.020 4.045 3.745 4.603 . 0 0 "[ . 1 . 2]" 1
2440 2 60 PRO HB3 2 61 ILE MD . . 4.570 4.469 4.203 4.731 0.161 8 0 "[ . 1 . 2]" 1
2441 1 17 GLU QG 2 61 ILE MG . . 5.500 4.365 3.295 5.074 . 0 0 "[ . 1 . 2]" 1
2442 2 15 ILE MG 2 71 TYR QE . . 3.500 2.686 2.417 2.982 . 0 0 "[ . 1 . 2]" 1
2443 2 15 ILE MD 2 71 TYR QE . . 3.630 2.449 2.254 2.746 . 0 0 "[ . 1 . 2]" 1
2444 2 15 ILE MD 2 71 TYR QD . . 3.190 2.554 2.308 2.687 . 0 0 "[ . 1 . 2]" 1
2445 2 74 LYS HB2 2 75 HIS HE1 . . 4.610 4.084 3.507 5.010 0.400 20 0 "[ . 1 . 2]" 1
2446 2 24 HIS HE1 2 28 CYS QB . . 4.420 3.618 3.193 4.018 . 0 0 "[ . 1 . 2]" 1
2447 2 47 HIS HE1 2 51 CYS HB3 . . 4.410 4.668 4.105 5.053 0.643 10 6 "[* . * -+ * . * 2]" 1
2448 2 24 HIS HB3 2 24 HIS HD2 . . 3.440 2.739 2.702 2.770 . 0 0 "[ . 1 . 2]" 1
2449 2 24 HIS HD2 2 25 ALA MB . . 3.480 3.310 3.009 3.555 0.075 6 0 "[ . 1 . 2]" 1
2450 2 68 LEU HA 2 71 TYR QE . . 3.870 5.039 4.939 5.107 1.237 12 20 [****-******+********] 1
2451 2 66 ILE MD 2 85 PHE QD . . 4.110 2.450 2.246 3.063 . 0 0 "[ . 1 . 2]" 1
2452 2 83 VAL MG2 2 85 PHE QD . . 4.900 4.443 4.094 4.679 . 0 0 "[ . 1 . 2]" 1
2453 2 66 ILE HG13 2 85 PHE QD . . 3.600 2.650 2.298 2.911 . 0 0 "[ . 1 . 2]" 1
2454 2 22 LEU MD1 2 85 PHE QD . . 3.650 3.244 2.744 3.927 0.277 18 0 "[ . 1 . 2]" 1
2455 2 24 HIS HA 2 24 HIS HE1 . . 5.380 4.958 4.824 5.096 . 0 0 "[ . 1 . 2]" 1
2456 2 47 HIS HE1 2 51 CYS HB2 . . 4.410 3.389 3.006 3.724 . 0 0 "[ . 1 . 2]" 1
2457 2 72 HIS HE1 2 76 CYS HB2 . . 4.520 2.936 2.858 3.116 . 0 0 "[ . 1 . 2]" 1
2458 2 47 HIS HE1 2 48 THR MG . . 5.310 5.562 5.302 5.775 0.465 8 0 "[ . 1 . 2]" 1
2459 2 47 HIS HA 2 47 HIS HE1 . . 5.500 5.310 5.129 5.487 . 0 0 "[ . 1 . 2]" 1
2460 2 72 HIS HE1 2 76 CYS HA . . 4.540 5.160 5.010 5.240 0.700 11 19 [****.*****+*****-***] 1
2461 2 69 ALA MB 2 85 PHE QD . . 3.290 3.068 2.781 3.412 0.122 11 0 "[ . 1 . 2]" 1
2462 2 48 THR MG 2 85 PHE QE . . 3.410 2.554 2.340 2.889 . 0 0 "[ . 1 . 2]" 1
2463 2 47 HIS H 2 47 HIS HD2 . . 4.640 4.792 4.699 4.908 0.268 15 0 "[ . 1 . 2]" 1
2464 2 47 HIS HD2 2 48 THR H . . 4.170 3.277 3.091 3.499 . 0 0 "[ . 1 . 2]" 1
2465 2 71 TYR H 2 71 TYR QD . . 3.530 3.922 3.826 3.996 0.466 12 0 "[ . 1 . 2]" 1
2466 2 71 TYR QD 2 72 HIS H . . 3.770 2.752 2.636 2.846 . 0 0 "[ . 1 . 2]" 1
2467 2 68 LEU H 2 71 TYR QD . . 5.020 5.897 5.807 6.009 0.989 12 20 [-**********+********] 1
2468 2 68 LEU HA 2 71 TYR QD . . 2.840 3.249 3.140 3.391 0.551 12 1 "[ . 1 + . 2]" 1
2469 2 71 TYR QD 2 72 HIS HA . . 4.020 3.627 3.297 3.907 . 0 0 "[ . 1 . 2]" 1
2470 2 15 ILE QG 2 71 TYR QD . . 4.590 4.399 4.246 4.597 0.007 16 0 "[ . 1 . 2]" 1
2471 2 71 TYR QD 2 74 LYS HB2 . . 4.850 4.930 4.756 5.090 0.240 8 0 "[ . 1 . 2]" 1
2472 2 19 ILE QG 2 71 TYR QD . . 4.160 3.692 3.483 3.842 . 0 0 "[ . 1 . 2]" 1
2473 2 71 TYR QD 2 74 LYS HG3 . . 5.500 5.191 4.423 5.786 0.286 20 0 "[ . 1 . 2]" 1
2474 2 19 ILE MD 2 71 TYR QE . . 3.040 1.881 1.762 1.966 . 0 0 "[ . 1 . 2]" 1
2475 2 15 ILE QG 2 71 TYR QE . . 3.890 4.361 4.107 4.572 0.682 11 9 "[ - . * 1+* ** ***]" 1
2476 2 19 ILE QG 2 71 TYR QE . . 3.720 3.700 3.557 3.809 0.089 13 0 "[ . 1 . 2]" 1
2477 2 71 TYR QE 2 72 HIS HB2 . . 4.230 3.840 3.704 3.960 . 0 0 "[ . 1 . 2]" 1
2478 2 15 ILE HA 2 71 TYR QE . . 5.020 5.839 5.642 6.005 0.985 16 20 [****-**********+****] 1
2479 2 16 GLN HA 2 71 TYR QE . . 4.000 3.890 3.280 4.475 0.475 6 0 "[ . 1 . 2]" 1
2480 2 71 TYR QE 2 72 HIS HA . . 4.110 4.063 3.874 4.247 0.137 5 0 "[ . 1 . 2]" 1
2481 2 16 GLN H 2 71 TYR QE . . 5.150 5.002 4.454 5.477 0.327 6 0 "[ . 1 . 2]" 1
2482 2 71 TYR QE 2 72 HIS H . . 4.690 4.632 4.505 4.737 0.047 11 0 "[ . 1 . 2]" 1
2483 2 85 PHE HA 2 85 PHE QD . . 3.440 2.703 2.477 3.101 . 0 0 "[ . 1 . 2]" 1
2484 2 85 PHE QD 2 88 ASN HB2 . . 4.950 4.523 3.640 5.073 0.123 17 0 "[ . 1 . 2]" 1
2485 2 84 PRO QG 2 85 PHE QD . . 3.610 3.452 2.999 3.733 0.123 15 0 "[ . 1 . 2]" 1
2486 2 62 CYS HA 2 85 PHE QE . . 4.260 3.790 3.299 4.159 . 0 0 "[ . 1 . 2]" 1
2487 2 48 THR HB 2 85 PHE QE . . 3.780 3.119 2.683 3.302 . 0 0 "[ . 1 . 2]" 1
2488 2 48 THR HA 2 85 PHE QE . . 4.720 4.860 4.626 5.022 0.302 9 0 "[ . 1 . 2]" 1
2489 2 45 VAL HA 2 85 PHE QE . . 4.860 4.379 4.147 4.820 . 0 0 "[ . 1 . 2]" 1
2490 2 65 LEU HB3 2 85 PHE QE . . 3.620 2.722 2.379 3.350 . 0 0 "[ . 1 . 2]" 1
2491 2 62 CYS HB3 2 85 PHE QE . . 4.250 2.587 1.897 3.015 . 0 0 "[ . 1 . 2]" 1
2492 2 54 LYS HD3 2 85 PHE QE . . 4.420 3.164 2.506 3.824 . 0 0 "[ . 1 . 2]" 1
2493 2 65 LEU HB2 2 85 PHE QE . . 4.450 3.009 2.498 3.406 . 0 0 "[ . 1 . 2]" 1
2494 2 22 LEU MD2 2 85 PHE QE . . 4.010 3.692 2.730 4.122 0.112 7 0 "[ . 1 . 2]" 1
2495 2 66 ILE MD 2 85 PHE QE . . 4.960 3.645 3.389 4.689 . 0 0 "[ . 1 . 2]" 1
2496 2 83 VAL MG2 2 85 PHE QE . . 5.500 5.866 5.234 6.132 0.632 5 8 "[ * +* 1 ** * *- 2]" 1
2497 2 22 LEU MD1 2 85 PHE QE . . 4.010 2.818 1.783 3.089 . 0 0 "[ . 1 . 2]" 1
2498 2 72 HIS HD2 2 83 VAL MG1 . . 4.200 4.263 3.635 4.965 0.765 2 7 "[ + ** 1 * - * *]" 1
2499 2 72 HIS HD2 2 83 VAL MG2 . . 4.200 3.447 2.704 4.161 . 0 0 "[ . 1 . 2]" 1
2500 2 19 ILE MD 2 72 HIS HD2 . . 5.470 4.922 4.698 5.137 . 0 0 "[ . 1 . 2]" 1
2501 2 72 HIS HD2 2 86 CYS HB2 . . 3.900 2.419 2.220 2.686 . 0 0 "[ . 1 . 2]" 1
2502 2 72 HIS HD2 2 76 CYS HB3 . . 4.930 4.189 4.024 4.427 . 0 0 "[ . 1 . 2]" 1
2503 2 72 HIS HD2 2 86 CYS HB3 . . 4.500 3.952 3.758 4.224 . 0 0 "[ . 1 . 2]" 1
2504 2 72 HIS HD2 2 86 CYS HA . . 4.510 3.967 3.830 4.252 . 0 0 "[ . 1 . 2]" 1
2505 2 69 ALA HA 2 72 HIS HD2 . . 3.640 2.711 2.498 2.931 . 0 0 "[ . 1 . 2]" 1
2506 2 72 HIS HD2 2 86 CYS H . . 4.420 4.767 4.614 4.933 0.513 13 2 "[ - . 1 + . 2]" 1
2507 2 72 HIS HD2 2 73 ALA H . . 4.190 3.661 3.462 3.923 . 0 0 "[ . 1 . 2]" 1
2508 2 24 HIS HD2 2 42 LYS QG . . 5.110 4.415 4.028 4.801 . 0 0 "[ . 1 . 2]" 1
2509 2 24 HIS HD2 2 28 CYS QB . . 4.080 3.622 3.341 3.827 . 0 0 "[ . 1 . 2]" 1
2510 2 24 HIS HD2 2 38 CYS HA . . 3.320 2.994 2.392 3.527 0.207 20 0 "[ . 1 . 2]" 1
2511 2 24 HIS HD2 2 25 ALA HA . . 3.540 3.564 3.274 3.851 0.311 11 0 "[ . 1 . 2]" 1
2512 2 24 HIS HD2 2 25 ALA H . . 4.020 3.547 3.244 3.795 . 0 0 "[ . 1 . 2]" 1
2513 2 44 VAL MG1 2 47 HIS HD2 . . 5.060 4.699 2.509 5.173 0.113 9 0 "[ . 1 . 2]" 1
2514 2 47 HIS HD2 2 48 THR MG . . 3.620 2.314 2.084 2.525 . 0 0 "[ . 1 . 2]" 1
2515 2 47 HIS HB3 2 47 HIS HD2 . . 3.780 2.756 2.718 2.811 . 0 0 "[ . 1 . 2]" 1
2516 2 47 HIS HD2 2 48 THR HG1 . . 4.760 4.868 4.540 5.083 0.323 1 0 "[ . 1 . 2]" 1
2517 2 74 LYS HB2 2 75 HIS HD2 . . 4.070 4.338 3.422 4.834 0.764 19 9 "[ ***. ** -.** +2]" 1
2518 2 47 HIS HE1 2 51 CYS HA . . 4.990 5.042 4.787 5.147 0.157 4 0 "[ . 1 . 2]" 1
2519 2 72 HIS HE1 2 73 ALA HA . . 5.410 5.527 5.374 5.705 0.295 9 0 "[ . 1 . 2]" 1
2520 2 62 CYS HB3 2 85 PHE HZ . . 5.120 3.006 2.465 4.891 . 0 0 "[ . 1 . 2]" 1
2521 2 48 THR HB 2 85 PHE HZ . . 3.970 2.260 1.934 2.790 . 0 0 "[ . 1 . 2]" 1
2522 2 21 SER HA 2 24 HIS HD2 . . 4.830 4.243 4.107 4.470 . 0 0 "[ . 1 . 2]" 1
2523 2 47 HIS HD2 2 61 ILE HB . . 4.030 3.814 3.262 4.169 0.139 17 0 "[ . 1 . 2]" 1
2524 2 71 TYR QD 2 72 HIS HB3 . . 4.320 3.798 3.660 3.929 . 0 0 "[ . 1 . 2]" 1
2525 2 71 TYR QD 2 74 LYS HG2 . . 5.160 5.285 4.828 5.722 0.562 16 2 "[ . 1 .+ -]" 1
2526 2 16 GLN HG3 2 71 TYR QE . . 4.670 4.170 3.464 4.780 0.110 6 0 "[ . 1 . 2]" 1
2527 2 71 TYR QE 2 72 HIS HB3 . . 4.890 5.137 5.033 5.210 0.320 12 0 "[ . 1 . 2]" 1
2528 2 19 ILE MG 2 71 TYR QE . . 4.820 4.667 4.528 4.859 0.039 5 0 "[ . 1 . 2]" 1
2529 2 69 ALA MB 2 72 HIS HD2 . . 3.980 3.348 3.167 3.534 . 0 0 "[ . 1 . 2]" 1
2530 2 72 HIS H 2 72 HIS HD2 . . 4.700 4.576 4.459 4.802 0.102 20 0 "[ . 1 . 2]" 1
2531 2 54 LYS QE 2 85 PHE QD . . 4.840 4.192 3.596 5.034 0.194 9 0 "[ . 1 . 2]" 1
2532 2 85 PHE QD 2 86 CYS H . . 4.360 3.913 3.342 4.207 . 0 0 "[ . 1 . 2]" 1
2533 2 54 LYS HD2 2 85 PHE QD . . 4.410 3.446 2.689 4.284 . 0 0 "[ . 1 . 2]" 1
2534 2 54 LYS HD2 2 85 PHE QE . . 3.850 2.070 1.759 2.723 . 0 0 "[ . 1 . 2]" 1
2535 1 3 MET QB 1 4 ASN H . . 4.410 3.172 1.869 4.086 . 0 0 "[ . 1 . 2]" 1
2536 1 3 MET QB 1 4 ASN HA . . 4.830 4.536 3.754 5.158 0.328 3 0 "[ . 1 . 2]" 1
2537 1 3 MET QG 1 4 ASN H . . 5.340 3.779 2.230 4.503 . 0 0 "[ . 1 . 2]" 1
2538 1 4 ASN H 1 4 ASN QB . . 3.690 2.629 2.210 3.421 . 0 0 "[ . 1 . 2]" 1
2539 1 4 ASN H 1 4 ASN QD . . 4.990 4.369 3.742 5.212 0.222 3 0 "[ . 1 . 2]" 1
2540 1 4 ASN HA 1 5 GLN QB . . 5.340 4.557 4.172 5.176 . 0 0 "[ . 1 . 2]" 1
2541 1 5 GLN H 1 5 GLN QB . . 3.130 2.751 2.398 3.402 0.272 9 0 "[ . 1 . 2]" 1
2542 1 5 GLN QB 1 6 PRO QD . . 3.180 2.476 1.922 3.209 0.029 20 0 "[ . 1 . 2]" 1
2543 1 5 GLN QG 1 6 PRO QD . . 4.480 3.831 3.273 4.392 . 0 0 "[ . 1 . 2]" 1
2544 1 7 GLN H 1 7 GLN QE . . 4.970 4.157 2.830 5.246 0.276 13 0 "[ . 1 . 2]" 1
2545 1 7 GLN H 1 8 ARG QB . . 5.330 5.376 4.535 6.071 0.741 1 6 "[+* . *1 *.- *2]" 1
2546 1 7 GLN QB 1 8 ARG H . . 3.440 2.845 1.779 3.685 0.245 10 0 "[ . 1 . 2]" 1
2547 1 7 GLN QB 1 8 ARG HA . . 4.720 4.426 3.775 4.820 0.100 11 0 "[ . 1 . 2]" 1
2548 1 7 GLN QB 1 8 ARG QB . . 3.880 4.280 3.187 5.040 1.160 10 9 "[ ** . **+ -* **2]" 1
2549 1 8 ARG H 1 8 ARG QB . . 3.080 2.643 2.211 3.411 0.331 5 0 "[ . 1 . 2]" 1
2550 1 8 ARG HA 1 8 ARG QG . . 3.130 2.790 2.438 3.563 0.433 5 0 "[ . 1 . 2]" 1
2551 1 8 ARG QB 1 8 ARG QG . . 2.110 2.030 2.004 2.054 . 0 0 "[ . 1 . 2]" 1
2552 1 8 ARG QB 1 8 ARG QD . . 2.890 2.413 2.210 2.827 . 0 0 "[ . 1 . 2]" 1
2553 1 8 ARG QB 1 9 MET H . . 3.820 3.423 1.787 4.010 0.190 3 0 "[ . 1 . 2]" 1
2554 1 8 ARG QG 1 9 MET H . . 3.340 3.103 1.901 3.700 0.360 20 0 "[ . 1 . 2]" 1
2555 1 8 ARG QG 1 9 MET QG . . 4.120 4.299 2.495 5.167 1.047 2 11 "[*+ .* *1*** .* -**]" 1
2556 1 9 MET H 1 9 MET QB . . 2.880 2.583 2.412 3.001 0.121 1 0 "[ . 1 . 2]" 1
2557 1 9 MET H 1 9 MET QG . . 3.740 2.420 1.994 4.154 0.414 1 0 "[ . 1 . 2]" 1
2558 1 9 MET QB 1 10 ALA H . . 2.900 3.336 2.478 3.795 0.895 13 12 "[ * *.*** ***+*.- *2]" 1
2559 1 9 MET QG 1 10 ALA H . . 4.110 4.195 1.940 4.853 0.743 11 2 "[ . - 1+ . 2]" 1
2560 1 10 ALA H 1 11 PRO QD . . 4.850 4.432 4.307 4.526 . 0 0 "[ . 1 . 2]" 1
2561 1 10 ALA H 1 12 VAL QG . . 5.440 3.917 3.332 4.658 . 0 0 "[ . 1 . 2]" 1
2562 1 10 ALA MB 1 11 PRO QD . . 2.690 2.480 2.172 2.738 0.048 16 0 "[ . 1 . 2]" 1
2563 1 10 ALA MB 1 12 VAL QG . . 3.450 1.966 1.788 2.286 . 0 0 "[ . 1 . 2]" 1
2564 1 11 PRO HB2 1 12 VAL QG . . 5.190 4.607 3.931 5.041 . 0 0 "[ . 1 . 2]" 1
2565 1 11 PRO QG 1 12 VAL QG . . 4.050 3.806 3.128 4.734 0.684 4 1 "[ +. 1 . 2]" 1
2566 1 11 PRO QD 1 12 VAL H . . 3.900 3.026 2.638 3.513 . 0 0 "[ . 1 . 2]" 1
2567 1 11 PRO QD 1 12 VAL QG . . 4.170 3.136 2.756 3.560 . 0 0 "[ . 1 . 2]" 1
2568 1 12 VAL H 1 12 VAL QG . . 2.620 1.873 1.800 1.968 . 0 0 "[ . 1 . 2]" 1
2569 1 12 VAL H 1 15 ASP QB . . 5.330 4.523 3.199 5.181 . 0 0 "[ . 1 . 2]" 1
2570 1 12 VAL HA 1 12 VAL QG . . 2.490 2.304 2.195 2.342 . 0 0 "[ . 1 . 2]" 1
2571 1 12 VAL HB 1 15 ASP QB . . 4.360 3.976 2.005 5.006 0.646 2 3 "[ +- . 1 . * 2]" 1
2572 1 12 VAL QG 1 13 GLY H . . 3.070 2.484 2.157 3.422 0.352 10 0 "[ . 1 . 2]" 1
2573 1 12 VAL QG 1 13 GLY QA . . 3.550 3.537 3.341 3.835 0.285 10 0 "[ . 1 . 2]" 1
2574 1 12 VAL QG 1 14 THR H . . 3.950 2.347 1.679 3.327 . 0 0 "[ . 1 . 2]" 1
2575 1 12 VAL QG 1 14 THR HA . . 4.720 4.445 3.985 5.153 0.433 8 0 "[ . 1 . 2]" 1
2576 1 12 VAL QG 1 14 THR HB . . 4.910 3.347 2.323 4.670 . 0 0 "[ . 1 . 2]" 1
2577 1 12 VAL QG 1 15 ASP H . . 4.510 2.265 1.865 3.526 . 0 0 "[ . 1 . 2]" 1
2578 1 12 VAL QG 1 15 ASP QB . . 4.380 2.063 1.659 3.058 . 0 0 "[ . 1 . 2]" 1
2579 1 12 VAL QG 1 16 LYS HB3 . . 5.270 3.927 2.396 5.227 . 0 0 "[ . 1 . 2]" 1
2580 1 12 VAL QG 1 16 LYS QG . . 4.160 3.173 2.154 4.569 0.409 10 0 "[ . 1 . 2]" 1
2581 1 12 VAL QG 1 16 LYS QE . . 5.030 4.754 3.230 5.910 0.880 8 2 "[ -. + 1 . 2]" 1
2582 1 13 GLY QA 1 16 LYS QD . . 4.620 3.231 1.946 4.219 . 0 0 "[ . 1 . 2]" 1
2583 1 14 THR H 1 15 ASP QB . . 4.360 4.183 3.642 4.908 0.548 18 1 "[ . 1 . + 2]" 1
2584 1 14 THR HA 1 15 ASP QB . . 5.340 5.375 5.223 5.595 0.255 15 0 "[ . 1 . 2]" 1
2585 1 14 THR HB 1 15 ASP QB . . 4.500 4.186 3.691 4.693 0.193 12 0 "[ . 1 . 2]" 1
2586 1 14 THR MG 1 15 ASP QB . . 4.480 4.491 3.893 4.894 0.414 1 0 "[ . 1 . 2]" 1
2587 1 15 ASP H 1 15 ASP QB . . 2.830 2.321 2.205 2.520 . 0 0 "[ . 1 . 2]" 1
2588 1 15 ASP QB 1 16 LYS HA . . 3.890 3.961 3.771 4.224 0.334 7 0 "[ . 1 . 2]" 1
2589 1 15 ASP QB 1 16 LYS QG . . 4.260 3.960 3.719 4.205 . 0 0 "[ . 1 . 2]" 1
2590 1 15 ASP QB 1 18 LEU HG . . 4.460 4.314 4.015 4.652 0.192 6 0 "[ . 1 . 2]" 1
2591 1 15 ASP QB 1 18 LEU MD2 . . 4.470 3.908 3.421 4.264 . 0 0 "[ . 1 . 2]" 1
2592 1 15 ASP QB 1 19 SER H . . 5.310 5.222 4.817 5.562 0.252 19 0 "[ . 1 . 2]" 1
2593 1 15 ASP QB 1 19 SER QB . . 4.470 4.568 3.927 5.157 0.687 16 4 "[ . - * .+ *2]" 1
2594 1 16 LYS H 1 16 LYS QD . . 4.400 3.837 3.360 4.289 . 0 0 "[ . 1 . 2]" 1
2595 1 16 LYS HA 1 19 SER QB . . 3.880 2.500 2.222 2.921 . 0 0 "[ . 1 . 2]" 1
2596 1 16 LYS QD 1 17 GLU H . . 3.790 3.032 2.014 4.273 0.483 10 0 "[ . 1 . 2]" 1
2597 1 16 LYS QD 1 17 GLU HA . . 3.700 3.334 2.609 4.857 1.157 10 6 "[ ** . **+ . - 2]" 1
2598 1 16 LYS QD 1 17 GLU QB . . 4.710 4.113 3.221 5.130 0.420 10 0 "[ . 1 . 2]" 1
2599 1 18 LEU HA 1 21 LEU QD . . 3.470 2.964 2.699 3.253 . 0 0 "[ . 1 . 2]" 1
2600 1 18 LEU QB 1 19 SER QB . . 5.340 4.976 4.873 5.254 . 0 0 "[ . 1 . 2]" 1
2601 1 18 LEU HG 1 19 SER QB . . 4.110 3.871 3.565 4.143 0.033 10 0 "[ . 1 . 2]" 1
2602 1 18 LEU MD2 1 19 SER QB . . 4.800 4.910 4.673 5.194 0.394 5 0 "[ . 1 . 2]" 1
2603 1 19 SER H 1 19 SER QB . . 2.920 2.265 2.233 2.295 . 0 0 "[ . 1 . 2]" 1
2604 1 19 SER QB 1 20 ASP H . . 3.150 2.525 2.340 2.642 . 0 0 "[ . 1 . 2]" 1
2605 1 19 SER QB 1 20 ASP HA . . 4.780 4.241 4.079 4.416 . 0 0 "[ . 1 . 2]" 1
2606 1 19 SER QB 1 20 ASP QB . . 4.620 4.297 3.752 4.701 0.081 1 0 "[ . 1 . 2]" 1
2607 1 19 SER QB 1 21 LEU H . . 4.990 4.708 4.551 4.839 . 0 0 "[ . 1 . 2]" 1
2608 1 20 ASP HA 1 22 LEU QD . . 5.010 5.724 5.382 5.995 0.985 4 19 "[***+**** -**********]" 1
2609 1 20 ASP QB 2 43 ARG QG . . 4.740 4.111 3.524 4.532 . 0 0 "[ . 1 . 2]" 1
2610 1 20 ASP QB 2 44 VAL QG . . 4.360 3.379 2.396 4.209 . 0 0 "[ . 1 . 2]" 1
2611 1 21 LEU H 2 44 VAL QG . . 5.440 5.249 4.884 5.597 0.157 19 0 "[ . 1 . 2]" 1
2612 1 21 LEU HA 1 21 LEU QD . . 3.850 2.876 2.640 3.200 . 0 0 "[ . 1 . 2]" 1
2613 1 21 LEU HA 2 44 VAL QG . . 5.240 4.864 4.638 4.991 . 0 0 "[ . 1 . 2]" 1
2614 1 21 LEU QB 1 21 LEU QD . . 2.640 1.956 1.947 1.990 . 0 0 "[ . 1 . 2]" 1
2615 1 21 LEU QD 1 22 LEU H . . 4.010 3.399 2.982 3.641 . 0 0 "[ . 1 . 2]" 1
2616 1 21 LEU QD 1 22 LEU HA . . 3.400 3.398 2.811 3.659 0.259 16 0 "[ . 1 . 2]" 1
2617 1 21 LEU QD 1 25 SER H . . 4.820 4.361 3.689 4.567 . 0 0 "[ . 1 . 2]" 1
2618 1 21 LEU QD 1 28 PHE HZ . . 4.990 4.844 4.650 5.188 0.198 5 0 "[ . 1 . 2]" 1
2619 1 21 LEU QD 2 60 PRO HG3 . . 4.660 3.567 3.097 3.893 . 0 0 "[ . 1 . 2]" 1
2620 1 21 LEU QD 2 60 PRO QD . . 5.440 4.141 3.835 4.411 . 0 0 "[ . 1 . 2]" 1
2621 1 21 LEU QD 2 61 ILE H . . 5.180 3.179 3.019 3.364 . 0 0 "[ . 1 . 2]" 1
2622 1 21 LEU QD 2 64 GLN QB . . 3.560 3.320 3.051 4.236 0.676 11 1 "[ . 1+ . 2]" 1
2623 1 21 LEU QD 2 64 GLN QG . . 3.750 2.247 2.080 2.838 . 0 0 "[ . 1 . 2]" 1
2624 1 21 LEU QD 2 64 GLN HG3 . . 6.150 2.959 2.178 4.005 . 0 0 "[ . 1 . 2]" 1
2625 1 22 LEU H 1 23 ASP QB . . 5.340 4.448 4.211 4.728 . 0 0 "[ . 1 . 2]" 1
2626 1 22 LEU HA 1 22 LEU QD . . 3.840 2.162 2.032 2.355 . 0 0 "[ . 1 . 2]" 1
2627 1 22 LEU HB3 1 22 LEU QD . . 2.880 2.316 2.265 2.351 . 0 0 "[ . 1 . 2]" 1
2628 1 22 LEU HB3 1 23 ASP QB . . 4.360 4.086 3.699 4.660 0.300 1 0 "[ . 1 . 2]" 1
2629 1 22 LEU QD 1 23 ASP H . . 3.340 3.506 3.223 3.734 0.394 2 0 "[ . 1 . 2]" 1
2630 1 22 LEU QD 1 23 ASP HA . . 4.770 3.547 2.918 4.229 . 0 0 "[ . 1 . 2]" 1
2631 1 22 LEU QD 1 23 ASP QB . . 3.570 4.161 3.563 4.680 1.110 12 12 "[** *. * *1*+* . ***-]" 1
2632 1 22 LEU QD 1 24 PHE H . . 5.030 4.893 4.602 5.216 0.186 18 0 "[ . 1 . 2]" 1
2633 1 23 ASP HA 1 26 MET QB . . 4.620 4.281 3.848 4.551 . 0 0 "[ . 1 . 2]" 1
2634 1 23 ASP QB 1 24 PHE H . . 3.830 2.655 2.538 2.791 . 0 0 "[ . 1 . 2]" 1
2635 1 23 ASP QB 1 26 MET ME . . 3.890 3.919 3.035 4.473 0.583 20 3 "[ . 1 *. - +]" 1
2636 1 24 PHE HA 2 68 LEU QD . . 5.440 5.333 4.952 5.641 0.201 19 0 "[ . 1 . 2]" 1
2637 1 24 PHE QB 2 44 VAL QG . . 5.440 4.480 4.177 4.809 . 0 0 "[ . 1 . 2]" 1
2638 1 24 PHE QB 2 64 GLN QG . . 4.880 3.873 2.960 4.544 . 0 0 "[ . 1 . 2]" 1
2639 1 24 PHE QB 2 65 LEU QD . . 4.520 3.160 2.772 3.738 . 0 0 "[ . 1 . 2]" 1
2640 1 24 PHE QB 2 68 LEU QD . . 4.990 3.894 3.690 4.145 . 0 0 "[ . 1 . 2]" 1
2641 1 24 PHE QD 2 65 LEU QD . . 3.670 3.101 2.756 3.711 0.041 9 0 "[ . 1 . 2]" 1
2642 1 24 PHE QE 2 40 LYS QG . . 4.610 4.337 2.579 5.010 0.400 17 0 "[ . 1 . 2]" 1
2643 1 24 PHE QE 2 41 MET QG . . 5.340 4.549 3.133 5.266 . 0 0 "[ . 1 . 2]" 1
2644 1 24 PHE QE 2 65 LEU QD . . 3.800 3.373 2.745 3.997 0.197 19 0 "[ . 1 . 2]" 1
2645 1 24 PHE HZ 2 41 MET QG . . 5.340 5.035 3.986 5.573 0.233 18 0 "[ . 1 . 2]" 1
2646 1 25 SER H 1 25 SER QB . . 3.530 2.369 2.236 2.630 . 0 0 "[ . 1 . 2]" 1
2647 1 25 SER QB 1 26 MET H . . 4.210 2.971 2.626 3.655 . 0 0 "[ . 1 . 2]" 1
2648 1 25 SER QB 1 26 MET QB . . 5.180 4.240 3.885 5.023 . 0 0 "[ . 1 . 2]" 1
2649 1 25 SER QB 1 26 MET QG . . 5.340 4.417 3.719 5.137 . 0 0 "[ . 1 . 2]" 1
2650 1 25 SER QB 2 64 GLN QB . . 5.340 4.660 3.904 5.913 0.573 7 1 "[ . + 1 . 2]" 1
2651 1 26 MET H 1 26 MET QB . . 3.230 2.736 2.498 2.959 . 0 0 "[ . 1 . 2]" 1
2652 1 27 MET ME 2 65 LEU QD . . 3.590 3.551 3.014 4.365 0.775 9 1 "[ . +1 . 2]" 1
2653 1 27 MET ME 2 68 LEU QD . . 3.050 3.455 3.190 3.656 0.606 20 3 "[ . - *. +]" 1
2654 1 28 PHE H 1 30 LEU QD . . 5.440 5.420 5.312 5.530 0.090 6 0 "[ . 1 . 2]" 1
2655 1 28 PHE H 2 68 LEU QD . . 5.440 4.689 4.557 4.818 . 0 0 "[ . 1 . 2]" 1
2656 1 28 PHE HB3 1 30 LEU QD . . 4.990 4.485 4.263 4.644 . 0 0 "[ . 1 . 2]" 1
2657 1 28 PHE HB3 2 68 LEU QD . . 5.290 2.876 2.618 3.332 . 0 0 "[ . 1 . 2]" 1
2658 1 28 PHE QD 2 68 LEU QB . . 5.340 5.218 5.078 5.384 0.044 9 0 "[ . 1 . 2]" 1
2659 1 28 PHE QE 1 30 LEU QD . . 3.970 2.370 2.131 3.120 . 0 0 "[ . 1 . 2]" 1
2660 1 28 PHE QE 2 68 LEU QD . . 3.810 2.422 2.223 2.568 . 0 0 "[ . 1 . 2]" 1
2661 1 28 PHE HZ 1 30 LEU QD . . 3.950 3.791 3.382 4.033 0.083 4 0 "[ . 1 . 2]" 1
2662 1 28 PHE HZ 2 64 GLN QG . . 4.280 3.356 3.021 3.754 . 0 0 "[ . 1 . 2]" 1
2663 1 28 PHE HZ 2 65 LEU QD . . 5.440 3.596 2.946 4.090 . 0 0 "[ . 1 . 2]" 1
2664 1 28 PHE HZ 2 68 LEU QD . . 3.790 3.130 2.894 3.400 . 0 0 "[ . 1 . 2]" 1
2665 1 29 PRO HA 1 30 LEU QD . . 5.440 5.294 5.210 5.366 . 0 0 "[ . 1 . 2]" 1
2666 1 29 PRO QB 1 30 LEU QD . . 4.380 4.677 4.320 4.901 0.521 18 2 "[ - . 1 . + 2]" 1
2667 1 29 PRO QG 1 30 LEU QD . . 3.740 4.490 3.687 5.181 1.441 4 11 "[*- +*** *1* * . **]" 1
2668 1 29 PRO HD2 1 30 LEU QD . . 4.450 4.184 3.773 4.539 0.089 2 0 "[ . 1 . 2]" 1
2669 1 30 LEU H 1 30 LEU QD . . 3.330 3.097 2.867 3.240 . 0 0 "[ . 1 . 2]" 1
2670 1 30 LEU HA 1 30 LEU QD . . 2.960 1.975 1.922 2.033 . 0 0 "[ . 1 . 2]" 1
2671 1 30 LEU QB 1 30 LEU QD . . 2.780 2.005 1.994 2.014 . 0 0 "[ . 1 . 2]" 1
2672 1 30 LEU QD 1 31 PRO HA . . 5.440 5.239 5.095 5.342 . 0 0 "[ . 1 . 2]" 1
2673 1 30 LEU QD 1 31 PRO HD2 . . 3.370 2.331 2.016 2.592 . 0 0 "[ . 1 . 2]" 1
2674 1 30 LEU QD 1 31 PRO HD3 . . 3.580 3.150 2.991 3.349 . 0 0 "[ . 1 . 2]" 1
2675 1 30 LEU QD 2 15 ILE HB . . 4.210 4.180 3.962 4.481 0.271 14 0 "[ . 1 . 2]" 1
2676 1 30 LEU QD 2 15 ILE QG . . 2.990 2.217 2.031 2.453 . 0 0 "[ . 1 . 2]" 1
2677 1 30 LEU QD 2 15 ILE MD . . 3.540 2.168 2.002 2.358 . 0 0 "[ . 1 . 2]" 1
2678 1 30 LEU QD 2 64 GLN HA . . 4.530 3.570 3.284 4.003 . 0 0 "[ . 1 . 2]" 1
2679 1 30 LEU QD 2 64 GLN QE . . 5.440 4.714 3.653 5.569 0.129 6 0 "[ . 1 . 2]" 1
2680 1 30 LEU QD 2 67 ALA MB . . 3.120 2.003 1.846 2.156 . 0 0 "[ . 1 . 2]" 1
2681 1 30 LEU QD 2 68 LEU HA . . 3.640 2.755 2.392 3.146 . 0 0 "[ . 1 . 2]" 1
2682 1 30 LEU QD 2 71 TYR HB3 . . 4.200 3.541 3.250 3.868 . 0 0 "[ . 1 . 2]" 1
2683 1 30 LEU QD 2 71 TYR QD . . 3.820 3.945 3.609 4.172 0.352 13 0 "[ . 1 . 2]" 1
2684 1 30 LEU QD 2 71 TYR QE . . 4.440 4.821 4.382 5.056 0.616 5 7 "[ + * ** - * *]" 1
2685 1 31 PRO HA 1 32 VAL QG . . 4.290 3.875 3.323 4.376 0.086 8 0 "[ . 1 . 2]" 1
2686 1 31 PRO HB2 1 32 VAL QG . . 3.950 3.792 2.879 4.742 0.792 5 3 "[ *+ 1 - . 2]" 1
2687 1 31 PRO HB3 1 32 VAL QG . . 5.440 4.627 4.246 5.122 . 0 0 "[ . 1 . 2]" 1
2688 1 32 VAL H 1 32 VAL QG . . 2.990 2.061 1.874 2.423 . 0 0 "[ . 1 . 2]" 1
2689 1 32 VAL QG 1 33 THR H . . 3.250 3.009 2.247 3.452 0.202 14 0 "[ . 1 . 2]" 1
2690 1 32 VAL QG 1 33 THR HA . . 3.800 3.788 3.419 4.398 0.598 13 1 "[ . 1 + . 2]" 1
2691 1 32 VAL QG 1 34 ASN H . . 3.990 2.863 1.773 4.530 0.540 11 1 "[ . 1+ . 2]" 1
2692 1 32 VAL QG 1 34 ASN HA . . 4.470 3.757 2.672 5.092 0.622 14 2 "[ . 1 -+. 2]" 1
2693 1 32 VAL QG 1 34 ASN QB . . 5.100 4.301 2.097 5.334 0.234 11 0 "[ . 1 . 2]" 1
2694 1 32 VAL QG 1 34 ASN QD . . 4.660 4.400 1.906 5.188 0.528 4 3 "[ +* 1- . 2]" 1
2695 1 32 VAL QG 1 35 GLY H . . 5.440 3.736 1.967 6.025 0.585 11 1 "[ . 1+ . 2]" 1
2696 1 35 GLY QA 1 36 LYS QG . . 5.340 4.730 3.197 5.765 0.425 13 0 "[ . 1 . 2]" 1
2697 1 36 LYS H 1 36 LYS QB . . 3.090 2.722 2.195 3.430 0.340 18 0 "[ . 1 . 2]" 1
2698 1 36 LYS H 1 36 LYS QG . . 4.840 3.570 2.267 4.292 . 0 0 "[ . 1 . 2]" 1
2699 1 36 LYS HA 1 36 LYS QG . . 3.600 2.603 2.435 3.404 . 0 0 "[ . 1 . 2]" 1
2700 1 36 LYS QG 1 37 GLY QA . . 5.340 4.494 3.296 5.686 0.346 16 0 "[ . 1 . 2]" 1
2701 1 38 ARG H 1 38 ARG QB . . 3.410 2.859 2.315 3.388 . 0 0 "[ . 1 . 2]" 1
2702 1 38 ARG HA 1 39 PRO QD . . 3.500 2.157 1.909 3.662 0.162 3 0 "[ . 1 . 2]" 1
2703 1 38 ARG QB 1 39 PRO HA . . 4.820 4.741 4.178 5.063 0.243 10 0 "[ . 1 . 2]" 1
2704 1 38 ARG QB 1 39 PRO QD . . 3.700 3.028 2.101 3.901 0.201 14 0 "[ . 1 . 2]" 1
2705 1 38 ARG QG 1 39 PRO QD . . 4.640 3.713 2.845 4.468 . 0 0 "[ . 1 . 2]" 1
2706 2 4 THR H 2 5 GLN QB . . 4.810 4.674 4.012 5.139 0.329 4 0 "[ . 1 . 2]" 1
2707 2 4 THR HA 2 5 GLN QB . . 4.610 4.731 4.196 5.240 0.630 5 3 "[ + 1 . - *]" 1
2708 2 5 GLN H 2 5 GLN QB . . 3.350 3.165 2.322 3.465 0.115 16 0 "[ . 1 . 2]" 1
2709 2 5 GLN HA 2 5 GLN QB . . 2.510 2.339 2.189 2.429 . 0 0 "[ . 1 . 2]" 1
2710 2 5 GLN QB 2 5 GLN QG . . 2.210 2.088 2.009 2.112 . 0 0 "[ . 1 . 2]" 1
2711 2 5 GLN QB 2 5 GLN HE21 . . 3.730 2.990 2.006 4.043 0.313 18 0 "[ . 1 . 2]" 1
2712 2 5 GLN QB 2 6 SER H . . 3.270 2.455 2.038 3.306 0.036 20 0 "[ . 1 . 2]" 1
2713 2 5 GLN QB 2 9 ASP QB . . 3.760 2.766 2.041 3.663 . 0 0 "[ . 1 . 2]" 1
2714 2 5 GLN QB 2 10 SER H . . 4.730 3.367 2.744 4.532 . 0 0 "[ . 1 . 2]" 1
2715 2 5 GLN QB 2 10 SER QB . . 3.640 2.718 1.897 4.310 0.670 8 2 "[ . + 1- . 2]" 1
2716 2 5 GLN QB 2 13 LEU QD . . 4.110 3.776 3.405 4.206 0.096 2 0 "[ . 1 . 2]" 1
2717 2 5 GLN QG 2 10 SER QB . . 4.130 3.437 1.867 4.521 0.391 5 0 "[ . 1 . 2]" 1
2718 2 5 GLN QG 2 13 LEU QD . . 3.540 3.618 2.465 4.312 0.772 3 7 "[ + .** ** * - 2]" 1
2719 2 5 GLN HE22 2 13 LEU QD . . 3.730 2.203 1.768 3.660 . 0 0 "[ . 1 . 2]" 1
2720 2 7 PRO HA 2 10 SER QB . . 3.440 2.960 2.456 3.590 0.150 3 0 "[ . 1 . 2]" 1
2721 2 9 ASP H 2 13 LEU QD . . 4.960 5.075 4.887 5.191 0.231 14 0 "[ . 1 . 2]" 1
2722 2 9 ASP HA 2 12 ARG QG . . 5.340 4.279 3.895 4.578 . 0 0 "[ . 1 . 2]" 1
2723 2 9 ASP QB 2 10 SER QB . . 4.830 3.960 3.788 4.249 . 0 0 "[ . 1 . 2]" 1
2724 2 10 SER H 2 10 SER QB . . 3.060 2.281 2.243 2.524 . 0 0 "[ . 1 . 2]" 1
2725 2 10 SER HA 2 13 LEU QD . . 3.310 2.437 2.052 2.920 . 0 0 "[ . 1 . 2]" 1
2726 2 10 SER QB 2 11 ARG H . . 3.140 2.525 2.305 3.233 0.093 3 0 "[ . 1 . 2]" 1
2727 2 10 SER QB 2 11 ARG HG2 . . 4.650 4.488 4.182 5.156 0.506 12 1 "[ . 1 + . 2]" 1
2728 2 10 SER QB 2 13 LEU QD . . 3.760 4.055 3.735 4.299 0.539 3 2 "[ + . - 1 . 2]" 1
2729 2 11 ARG H 2 13 LEU QD . . 4.120 4.549 4.341 4.828 0.708 8 5 "[ -*. + 1** . 2]" 1
2730 2 12 ARG H 2 12 ARG QG . . 4.550 4.026 4.001 4.053 . 0 0 "[ . 1 . 2]" 1
2731 2 12 ARG HA 2 12 ARG QG . . 3.180 2.535 2.457 2.629 . 0 0 "[ . 1 . 2]" 1
2732 2 12 ARG HA 2 13 LEU QD . . 4.170 4.455 4.320 4.607 0.437 17 0 "[ . 1 . 2]" 1
2733 2 12 ARG QB 2 13 LEU QD . . 2.930 2.721 2.242 3.117 0.187 17 0 "[ . 1 . 2]" 1
2734 2 12 ARG QG 2 13 LEU H . . 4.010 3.716 3.438 3.958 . 0 0 "[ . 1 . 2]" 1
2735 2 12 ARG QG 2 13 LEU QD . . 4.450 3.176 2.532 3.513 . 0 0 "[ . 1 . 2]" 1
2736 2 12 ARG QG 2 15 ILE MG . . 4.480 3.256 2.931 3.532 . 0 0 "[ . 1 . 2]" 1
2737 2 12 ARG QG 2 16 GLN HG2 . . 4.740 3.988 3.642 4.218 . 0 0 "[ . 1 . 2]" 1
2738 2 12 ARG QG 2 16 GLN HG3 . . 3.840 2.871 2.509 3.143 . 0 0 "[ . 1 . 2]" 1
2739 2 12 ARG QG 2 16 GLN HE21 . . 3.630 2.035 1.846 2.236 . 0 0 "[ . 1 . 2]" 1
2740 2 13 LEU HA 2 13 LEU QD . . 2.920 2.110 2.025 2.280 . 0 0 "[ . 1 . 2]" 1
2741 2 13 LEU HB3 2 13 LEU QD . . 2.850 2.553 2.505 2.607 . 0 0 "[ . 1 . 2]" 1
2742 2 13 LEU QD 2 14 SER H . . 3.280 3.640 3.538 3.758 0.478 4 0 "[ . 1 . 2]" 1
2743 2 13 LEU QD 2 14 SER QB . . 4.740 4.836 4.558 5.157 0.417 8 0 "[ . 1 . 2]" 1
2744 2 13 LEU QD 2 15 ILE H . . 5.150 5.079 5.008 5.185 0.035 8 0 "[ . 1 . 2]" 1
2745 2 13 LEU QD 2 16 GLN HE22 . . 3.710 2.457 2.186 2.817 . 0 0 "[ . 1 . 2]" 1
2746 2 15 ILE HA 2 68 LEU QD . . 3.720 3.488 3.174 3.802 0.082 5 0 "[ . 1 . 2]" 1
2747 2 15 ILE QG 2 68 LEU QD . . 4.580 2.492 2.184 2.745 . 0 0 "[ . 1 . 2]" 1
2748 2 15 ILE MD 2 68 LEU QB . . 4.230 3.193 2.914 3.447 . 0 0 "[ . 1 . 2]" 1
2749 2 15 ILE MD 2 68 LEU QD . . 2.750 1.864 1.784 1.913 . 0 0 "[ . 1 . 2]" 1
2750 2 18 ALA H 2 68 LEU QD . . 4.490 4.632 4.324 4.950 0.460 12 0 "[ . 1 . 2]" 1
2751 2 18 ALA HA 2 68 LEU QD . . 4.860 4.467 4.262 4.691 . 0 0 "[ . 1 . 2]" 1
2752 2 19 ILE H 2 68 LEU QD . . 4.070 3.957 3.433 4.333 0.263 12 0 "[ . 1 . 2]" 1
2753 2 19 ILE HA 2 22 LEU QB . . 4.160 2.421 2.201 2.598 . 0 0 "[ . 1 . 2]" 1
2754 2 19 ILE HA 2 22 LEU QD . . 3.720 3.080 2.819 3.243 . 0 0 "[ . 1 . 2]" 1
2755 2 19 ILE HA 2 23 VAL QG . . 4.020 3.714 3.540 3.883 . 0 0 "[ . 1 . 2]" 1
2756 2 19 ILE HA 2 68 LEU QB . . 4.620 3.217 2.794 3.471 . 0 0 "[ . 1 . 2]" 1
2757 2 19 ILE HA 2 68 LEU QD . . 4.080 4.046 3.650 4.346 0.266 14 0 "[ . 1 . 2]" 1
2758 2 19 ILE MG 2 23 VAL QG . . 2.950 2.284 2.099 2.599 . 0 0 "[ . 1 . 2]" 1
2759 2 19 ILE MG 2 68 LEU QB . . 4.120 3.546 3.028 3.945 . 0 0 "[ . 1 . 2]" 1
2760 2 19 ILE MG 2 83 VAL QG . . 3.570 3.193 2.636 3.583 0.013 17 0 "[ . 1 . 2]" 1
2761 2 19 ILE QG 2 68 LEU QD . . 3.530 2.962 2.360 3.377 . 0 0 "[ . 1 . 2]" 1
2762 2 19 ILE QG 2 68 LEU QB . . 4.210 1.871 1.573 2.335 . 0 0 "[ . 1 . 2]" 1
2763 2 19 ILE MD 2 68 LEU QB . . 3.940 3.197 2.907 3.585 . 0 0 "[ . 1 . 2]" 1
2764 2 20 GLN HA 2 23 VAL QG . . 3.660 2.238 1.780 3.014 . 0 0 "[ . 1 . 2]" 1
2765 2 21 SER HA 2 23 VAL QG . . 4.660 4.722 4.340 5.237 0.577 13 4 "[**- . 1 + . 2]" 1
2766 2 21 SER QB 2 22 LEU QB . . 3.940 3.879 3.751 4.000 0.060 6 0 "[ . 1 . 2]" 1
2767 2 21 SER QB 2 41 MET QG . . 4.790 2.735 1.960 3.735 . 0 0 "[ . 1 . 2]" 1
2768 2 22 LEU H 2 22 LEU QD . . 4.290 3.772 3.754 3.803 . 0 0 "[ . 1 . 2]" 1
2769 2 22 LEU H 2 23 VAL QG . . 4.420 3.834 3.634 4.295 . 0 0 "[ . 1 . 2]" 1
2770 2 22 LEU H 2 41 MET QG . . 4.850 3.713 3.305 4.169 . 0 0 "[ . 1 . 2]" 1
2771 2 22 LEU H 2 83 VAL QG . . 5.440 4.859 4.714 5.123 . 0 0 "[ . 1 . 2]" 1
2772 2 22 LEU HA 2 22 LEU QD . . 3.280 2.223 2.156 2.294 . 0 0 "[ . 1 . 2]" 1
2773 2 22 LEU HA 2 41 MET QB . . 4.580 4.243 3.781 4.804 0.224 7 0 "[ . 1 . 2]" 1
2774 2 22 LEU HA 2 41 MET QG . . 4.380 2.567 1.956 3.414 . 0 0 "[ . 1 . 2]" 1
2775 2 22 LEU HA 2 44 VAL QG . . 5.280 4.912 4.576 6.143 0.863 11 2 "[ . 1+ .- 2]" 1
2776 2 22 LEU HA 2 45 VAL QG . . 3.730 3.188 2.621 3.873 0.143 4 0 "[ . 1 . 2]" 1
2777 2 22 LEU QB 2 22 LEU QD . . 2.560 2.004 1.992 2.017 . 0 0 "[ . 1 . 2]" 1
2778 2 22 LEU QB 2 23 VAL H . . 3.950 2.551 2.455 2.659 . 0 0 "[ . 1 . 2]" 1
2779 2 22 LEU QB 2 23 VAL HA . . 5.340 4.348 4.251 4.436 . 0 0 "[ . 1 . 2]" 1
2780 2 22 LEU QB 2 41 MET QG . . 4.770 3.838 3.376 4.403 . 0 0 "[ . 1 . 2]" 1
2781 2 22 LEU QB 2 85 PHE QE . . 5.330 5.813 4.897 6.091 0.761 16 11 "[* ** * *1**-*.+ *2]" 1
2782 2 22 LEU HG 2 23 VAL QG . . 3.160 3.632 3.565 3.734 0.574 8 6 "[*** .* + 1- . 2]" 1
2783 2 22 LEU HG 2 83 VAL QG . . 3.860 1.899 1.809 2.026 . 0 0 "[ . 1 . 2]" 1
2784 2 22 LEU QD 2 23 VAL H . . 4.090 3.923 3.850 3.976 . 0 0 "[ . 1 . 2]" 1
2785 2 22 LEU QD 2 26 ALA H . . 3.900 4.354 4.168 4.591 0.691 10 7 "[ . *+ ***. * -2]" 1
2786 2 22 LEU QD 2 26 ALA MB . . 2.940 3.495 3.183 3.600 0.660 5 16 "[ * *+** ** *******-*]" 1
2787 2 22 LEU QD 2 41 MET ME . . 4.130 2.250 1.898 3.035 . 0 0 "[ . 1 . 2]" 1
2788 2 22 LEU QD 2 65 LEU HA . . 4.050 3.152 2.671 3.360 . 0 0 "[ . 1 . 2]" 1
2789 2 22 LEU QD 2 65 LEU HB3 . . 3.800 2.521 2.265 2.850 . 0 0 "[ . 1 . 2]" 1
2790 2 22 LEU QD 2 66 ILE HA . . 5.020 4.261 4.022 4.489 . 0 0 "[ . 1 . 2]" 1
2791 2 22 LEU QD 2 68 LEU H . . 4.920 4.429 4.197 4.685 . 0 0 "[ . 1 . 2]" 1
2792 2 22 LEU QD 2 68 LEU QB . . 3.760 2.568 2.292 2.864 . 0 0 "[ . 1 . 2]" 1
2793 2 22 LEU QD 2 69 ALA H . . 4.150 3.466 3.180 3.784 . 0 0 "[ . 1 . 2]" 1
2794 2 22 LEU QD 2 69 ALA HA . . 4.100 3.693 3.308 4.227 0.127 15 0 "[ . 1 . 2]" 1
2795 2 22 LEU QD 2 69 ALA MB . . 3.220 2.509 2.199 2.956 . 0 0 "[ . 1 . 2]" 1
2796 2 22 LEU QD 2 72 HIS HD2 . . 5.010 4.883 4.528 5.468 0.458 15 0 "[ . 1 . 2]" 1
2797 2 22 LEU QD 2 83 VAL HA . . 4.010 3.933 3.561 4.341 0.331 17 0 "[ . 1 . 2]" 1
2798 2 22 LEU QD 2 83 VAL QG . . 2.930 2.137 1.941 2.488 . 0 0 "[ . 1 . 2]" 1
2799 2 22 LEU QD 2 84 PRO QG . . 4.140 4.392 3.952 4.944 0.804 18 3 "[ . 1 * - + 2]" 1
2800 2 22 LEU QD 2 84 PRO HD2 . . 3.690 3.630 3.157 4.129 0.439 18 0 "[ . 1 . 2]" 1
2801 2 22 LEU QD 2 84 PRO HD3 . . 4.210 4.707 4.245 5.077 0.867 12 8 "[ - * 1 + * ****]" 1
2802 2 22 LEU QD 2 85 PHE HB2 . . 4.080 3.824 3.470 4.352 0.272 18 0 "[ . 1 . 2]" 1
2803 2 22 LEU QD 2 85 PHE QE . . 3.440 2.725 1.761 3.006 . 0 0 "[ . 1 . 2]" 1
2804 2 22 LEU QD 2 85 PHE HZ . . 5.140 4.537 3.177 4.924 . 0 0 "[ . 1 . 2]" 1
2805 2 22 LEU QD 2 86 CYS H . . 5.440 4.757 4.425 5.377 . 0 0 "[ . 1 . 2]" 1
2806 2 23 VAL H 2 23 VAL QG . . 2.940 2.109 1.994 2.482 . 0 0 "[ . 1 . 2]" 1
2807 2 23 VAL H 2 83 VAL QG . . 4.180 3.504 3.268 3.741 . 0 0 "[ . 1 . 2]" 1
2808 2 23 VAL HA 2 23 VAL QG . . 2.940 2.324 2.193 2.414 . 0 0 "[ . 1 . 2]" 1
2809 2 23 VAL HA 2 83 VAL QG . . 3.440 2.494 1.989 2.910 . 0 0 "[ . 1 . 2]" 1
2810 2 23 VAL HB 2 83 VAL QG . . 4.380 3.732 3.240 4.302 . 0 0 "[ . 1 . 2]" 1
2811 2 23 VAL QG 2 24 HIS H . . 3.130 2.572 2.230 3.177 0.047 6 0 "[ . 1 . 2]" 1
2812 2 23 VAL QG 2 24 HIS HA . . 3.680 3.227 3.024 3.428 . 0 0 "[ . 1 . 2]" 1
2813 2 23 VAL QG 2 24 HIS HB2 . . 4.580 3.741 3.414 4.421 . 0 0 "[ . 1 . 2]" 1
2814 2 23 VAL QG 2 25 ALA H . . 5.440 4.607 4.370 4.966 . 0 0 "[ . 1 . 2]" 1
2815 2 23 VAL QG 2 26 ALA MB . . 4.410 3.702 3.468 3.984 . 0 0 "[ . 1 . 2]" 1
2816 2 23 VAL QG 2 27 GLN H . . 4.740 4.668 4.326 4.946 0.206 12 0 "[ . 1 . 2]" 1
2817 2 23 VAL QG 2 27 GLN HB2 . . 5.080 4.685 4.139 5.159 0.079 12 0 "[ . 1 . 2]" 1
2818 2 23 VAL QG 2 27 GLN HG3 . . 4.610 4.130 3.068 4.714 0.104 9 0 "[ . 1 . 2]" 1
2819 2 23 VAL QG 2 27 GLN QE . . 3.480 2.918 2.009 3.251 . 0 0 "[ . 1 . 2]" 1
2820 2 23 VAL QG 2 28 CYS H . . 5.440 6.076 5.837 6.220 0.780 12 16 "[- ******* + *******]" 1
2821 2 23 VAL QG 2 72 HIS HD2 . . 4.890 4.907 4.502 5.087 0.197 6 0 "[ . 1 . 2]" 1
2822 2 23 VAL QG 2 82 PRO HA . . 5.440 5.215 4.280 5.986 0.546 20 1 "[ . 1 . +]" 1
2823 2 23 VAL QG 2 82 PRO HB3 . . 5.220 4.122 2.585 5.446 0.226 20 0 "[ . 1 . 2]" 1
2824 2 23 VAL QG 2 82 PRO HG2 . . 4.460 2.355 2.126 3.287 . 0 0 "[ . 1 . 2]" 1
2825 2 23 VAL QG 2 82 PRO HG3 . . 4.330 2.712 1.782 3.867 . 0 0 "[ . 1 . 2]" 1
2826 2 23 VAL QG 2 83 VAL H . . 4.240 3.449 3.169 3.630 . 0 0 "[ . 1 . 2]" 1
2827 2 23 VAL QG 2 83 VAL QG . . 3.050 1.910 1.775 2.135 . 0 0 "[ . 1 . 2]" 1
2828 2 24 HIS HD2 2 35 LEU QD . . 3.860 3.879 3.557 4.165 0.305 14 0 "[ . 1 . 2]" 1
2829 2 24 HIS HE1 2 35 LEU QD . . 4.130 4.344 3.553 4.870 0.740 11 7 "[ ** * -+ .* * 2]" 1
2830 2 25 ALA H 2 41 MET QB . . 4.310 3.990 3.657 4.210 . 0 0 "[ . 1 . 2]" 1
2831 2 25 ALA H 2 41 MET QG . . 5.340 3.768 3.184 4.398 . 0 0 "[ . 1 . 2]" 1
2832 2 25 ALA H 2 45 VAL QG . . 4.120 3.865 3.697 4.127 0.007 15 0 "[ . 1 . 2]" 1
2833 2 25 ALA HA 2 45 VAL QG . . 5.210 3.755 3.333 4.005 . 0 0 "[ . 1 . 2]" 1
2834 2 25 ALA MB 2 41 MET QB . . 2.950 1.989 1.811 2.295 . 0 0 "[ . 1 . 2]" 1
2835 2 25 ALA MB 2 41 MET QG . . 3.070 2.473 1.786 3.358 0.288 19 0 "[ . 1 . 2]" 1
2836 2 25 ALA MB 2 45 VAL QG . . 2.930 1.944 1.828 2.163 . 0 0 "[ . 1 . 2]" 1
2837 2 26 ALA H 2 41 MET QG . . 5.340 4.922 3.993 6.048 0.708 20 3 "[ . 1 .* -+]" 1
2838 2 26 ALA H 2 45 VAL QG . . 3.650 2.846 2.657 2.991 . 0 0 "[ . 1 . 2]" 1
2839 2 26 ALA H 2 83 VAL QG . . 5.100 4.618 4.047 5.007 . 0 0 "[ . 1 . 2]" 1
2840 2 26 ALA HA 2 45 VAL QG . . 3.220 2.156 1.818 2.631 . 0 0 "[ . 1 . 2]" 1
2841 2 26 ALA HA 2 83 VAL QG . . 5.440 5.213 4.613 5.597 0.157 8 0 "[ . 1 . 2]" 1
2842 2 26 ALA MB 2 45 VAL QG . . 3.280 2.507 2.016 3.055 . 0 0 "[ . 1 . 2]" 1
2843 2 26 ALA MB 2 83 VAL QG . . 3.270 2.933 2.375 3.335 0.065 8 0 "[ . 1 . 2]" 1
2844 2 27 GLN H 2 45 VAL QG . . 5.440 4.444 4.342 4.718 . 0 0 "[ . 1 . 2]" 1
2845 2 28 CYS H 2 29 ARG QG . . 5.240 5.293 4.433 6.187 0.947 17 5 "[* . 1** . + -2]" 1
2846 2 28 CYS HA 2 29 ARG QG . . 4.370 4.789 3.284 5.159 0.789 4 11 "[ **+.** *- **.* *]" 1
2847 2 29 ARG H 2 29 ARG QG . . 3.520 3.204 2.177 3.676 0.156 4 0 "[ . 1 . 2]" 1
2848 2 29 ARG HA 2 29 ARG QG . . 3.400 2.837 2.475 3.581 0.181 19 0 "[ . 1 . 2]" 1
2849 2 29 ARG HA 2 42 LYS QE . . 4.560 4.674 3.842 5.152 0.592 4 3 "[ +.* 1 . -]" 1
2850 2 29 ARG QG 2 30 ASN H . . 4.230 4.263 2.711 4.858 0.628 10 8 "[ ** ** + * . * -]" 1
2851 2 30 ASN QD 2 33 CYS QB . . 3.580 2.823 2.003 3.624 0.044 6 0 "[ . 1 . 2]" 1
2852 2 32 ASN H 2 33 CYS QB . . 4.760 4.669 4.383 5.189 0.429 9 0 "[ . 1 . 2]" 1
2853 2 33 CYS H 2 33 CYS QB . . 2.590 2.414 2.205 2.865 0.275 9 0 "[ . 1 . 2]" 1
2854 2 33 CYS H 2 35 LEU QD . . 5.420 5.073 4.672 5.676 0.256 19 0 "[ . 1 . 2]" 1
2855 2 33 CYS QB 2 34 SER H . . 3.710 3.462 2.929 3.977 0.267 2 0 "[ . 1 . 2]" 1
2856 2 33 CYS QB 2 34 SER HA . . 4.700 4.498 4.046 4.942 0.242 3 0 "[ . 1 . 2]" 1
2857 2 33 CYS QB 2 35 LEU H . . 4.090 3.592 2.747 4.838 0.748 3 6 "[ *+ . * 1 * - *2]" 1
2858 2 34 SER H 2 34 SER QB . . 3.360 2.949 2.746 3.155 . 0 0 "[ . 1 . 2]" 1
2859 2 34 SER H 2 35 LEU QD . . 4.570 3.213 2.864 3.525 . 0 0 "[ . 1 . 2]" 1
2860 2 34 SER HA 2 35 LEU QD . . 4.800 4.411 3.956 4.715 . 0 0 "[ . 1 . 2]" 1
2861 2 34 SER QB 2 35 LEU H . . 3.890 3.961 3.766 4.123 0.233 7 0 "[ . 1 . 2]" 1
2862 2 34 SER QB 2 35 LEU HA . . 5.160 4.612 4.392 4.890 . 0 0 "[ . 1 . 2]" 1
2863 2 34 SER QB 2 35 LEU QD . . 5.280 4.941 4.745 5.140 . 0 0 "[ . 1 . 2]" 1
2864 2 34 SER QB 2 39 GLN QE . . 4.690 3.950 2.198 4.865 0.175 12 0 "[ . 1 . 2]" 1
2865 2 35 LEU H 2 35 LEU QD . . 3.240 1.912 1.779 2.078 . 0 0 "[ . 1 . 2]" 1
2866 2 35 LEU HB2 2 35 LEU QD . . 2.640 2.188 2.153 2.212 . 0 0 "[ . 1 . 2]" 1
2867 2 35 LEU HB3 2 35 LEU QD . . 2.540 2.165 2.144 2.185 . 0 0 "[ . 1 . 2]" 1
2868 2 35 LEU QD 2 36 PRO HB2 . . 4.830 5.151 5.066 5.223 0.393 1 0 "[ . 1 . 2]" 1
2869 2 35 LEU QD 2 36 PRO HB3 . . 5.440 5.653 5.583 5.725 0.285 20 0 "[ . 1 . 2]" 1
2870 2 35 LEU QD 2 36 PRO HG2 . . 5.000 3.838 3.702 3.962 . 0 0 "[ . 1 . 2]" 1
2871 2 35 LEU QD 2 36 PRO HG3 . . 4.850 5.051 4.929 5.144 0.294 12 0 "[ . 1 . 2]" 1
2872 2 35 LEU QD 2 36 PRO HD2 . . 3.410 3.366 3.118 3.515 0.105 11 0 "[ . 1 . 2]" 1
2873 2 35 LEU QD 2 36 PRO HD3 . . 4.400 4.587 4.402 4.694 0.294 20 0 "[ . 1 . 2]" 1
2874 2 35 LEU QD 2 37 SER H . . 4.920 2.652 2.512 2.782 . 0 0 "[ . 1 . 2]" 1
2875 2 35 LEU QD 2 37 SER QB . . 4.620 2.025 1.871 2.189 . 0 0 "[ . 1 . 2]" 1
2876 2 35 LEU QD 2 38 CYS H . . 3.570 2.574 2.263 2.852 . 0 0 "[ . 1 . 2]" 1
2877 2 35 LEU QD 2 38 CYS HB2 . . 3.370 2.057 1.968 2.193 . 0 0 "[ . 1 . 2]" 1
2878 2 35 LEU QD 2 38 CYS HB3 . . 3.340 2.603 2.395 2.879 . 0 0 "[ . 1 . 2]" 1
2879 2 35 LEU QD 2 39 GLN H . . 3.900 4.205 3.951 4.469 0.569 3 4 "[ + . * 1 * -2]" 1
2880 2 38 CYS HA 2 41 MET QB . . 4.400 2.931 2.364 3.501 . 0 0 "[ . 1 . 2]" 1
2881 2 39 GLN H 2 40 LYS QG . . 4.980 4.324 3.935 4.715 . 0 0 "[ . 1 . 2]" 1
2882 2 39 GLN HA 2 42 LYS QE . . 3.920 2.716 1.985 3.395 . 0 0 "[ . 1 . 2]" 1
2883 2 39 GLN HB2 2 40 LYS QG . . 4.340 3.430 3.178 3.901 . 0 0 "[ . 1 . 2]" 1
2884 2 39 GLN HG2 2 42 LYS QE . . 4.440 4.358 3.633 5.067 0.627 6 4 "[ .+ - .* *]" 1
2885 2 39 GLN QE 2 42 LYS QE . . 4.250 3.000 2.567 3.537 . 0 0 "[ . 1 . 2]" 1
2886 2 40 LYS H 2 41 MET QB . . 5.340 4.463 4.347 4.585 . 0 0 "[ . 1 . 2]" 1
2887 2 40 LYS HA 2 40 LYS QG . . 3.440 2.776 2.360 3.396 . 0 0 "[ . 1 . 2]" 1
2888 2 40 LYS HA 2 44 VAL QG . . 5.080 4.690 3.843 4.927 . 0 0 "[ . 1 . 2]" 1
2889 2 40 LYS QE 2 40 LYS QG . . 3.210 2.622 2.338 2.950 . 0 0 "[ . 1 . 2]" 1
2890 2 40 LYS QG 2 41 MET H . . 4.080 3.897 2.218 4.260 0.180 9 0 "[ . 1 . 2]" 1
2891 2 40 LYS QE 2 44 VAL QG . . 5.330 5.044 3.735 5.784 0.454 9 0 "[ . 1 . 2]" 1
2892 2 41 MET H 2 41 MET QB . . 3.240 2.255 2.166 2.352 . 0 0 "[ . 1 . 2]" 1
2893 2 41 MET H 2 41 MET QG . . 4.170 4.042 3.439 4.162 . 0 0 "[ . 1 . 2]" 1
2894 2 41 MET H 2 44 VAL QG . . 4.500 4.293 4.067 4.789 0.289 16 0 "[ . 1 . 2]" 1
2895 2 41 MET HA 2 41 MET QG . . 3.540 2.690 2.516 3.040 . 0 0 "[ . 1 . 2]" 1
2896 2 41 MET HA 2 44 VAL QG . . 3.650 2.078 1.746 3.412 . 0 0 "[ . 1 . 2]" 1
2897 2 41 MET HA 2 45 VAL QG . . 4.290 3.861 3.205 4.476 0.186 15 0 "[ . 1 . 2]" 1
2898 2 41 MET QB 2 42 LYS H . . 4.020 2.852 2.599 3.036 . 0 0 "[ . 1 . 2]" 1
2899 2 41 MET QB 2 45 VAL QG . . 3.480 3.637 3.126 3.943 0.463 4 0 "[ . 1 . 2]" 1
2900 2 41 MET QG 2 44 VAL QG . . 4.850 3.334 2.893 4.817 . 0 0 "[ . 1 . 2]" 1
2901 2 41 MET QG 2 45 VAL QG . . 3.770 2.907 2.046 4.621 0.851 20 1 "[ . 1 . +]" 1
2902 2 41 MET ME 2 44 VAL QG . . 3.420 2.899 2.087 3.637 0.217 11 0 "[ . 1 . 2]" 1
2903 2 41 MET ME 2 65 LEU QD . . 3.310 2.037 1.884 2.335 . 0 0 "[ . 1 . 2]" 1
2904 2 42 LYS H 2 42 LYS QE . . 4.380 4.026 3.665 4.413 0.033 11 0 "[ . 1 . 2]" 1
2905 2 42 LYS H 2 44 VAL QG . . 4.740 4.419 4.113 5.108 0.368 16 0 "[ . 1 . 2]" 1
2906 2 42 LYS H 2 45 VAL QG . . 4.400 4.139 3.719 4.508 0.108 6 0 "[ . 1 . 2]" 1
2907 2 42 LYS HA 2 42 LYS QE . . 4.870 4.587 4.423 5.014 0.144 13 0 "[ . 1 . 2]" 1
2908 2 42 LYS HA 2 44 VAL QG . . 5.120 4.613 4.431 5.578 0.458 11 0 "[ . 1 . 2]" 1
2909 2 42 LYS HA 2 45 VAL QG . . 3.180 2.413 1.721 3.241 0.061 9 0 "[ . 1 . 2]" 1
2910 2 42 LYS QB 2 42 LYS QE . . 4.200 2.192 1.931 2.884 . 0 0 "[ . 1 . 2]" 1
2911 2 42 LYS QG 2 45 VAL QG . . 3.660 3.495 2.977 4.029 0.369 1 0 "[ . 1 . 2]" 1
2912 2 42 LYS QD 2 45 VAL QG . . 4.670 4.710 4.355 5.130 0.460 3 0 "[ . 1 . 2]" 1
2913 2 43 ARG H 2 43 ARG QG . . 4.240 3.739 2.618 4.033 . 0 0 "[ . 1 . 2]" 1
2914 2 43 ARG H 2 44 VAL QG . . 4.000 4.131 3.921 4.338 0.338 13 0 "[ . 1 . 2]" 1
2915 2 43 ARG H 2 45 VAL QG . . 3.960 4.621 4.165 5.093 1.133 6 9 "[*-* .+ *1* *.* *2]" 1
2916 2 43 ARG HA 2 43 ARG QG . . 3.380 3.236 2.676 3.568 0.188 7 0 "[ . 1 . 2]" 1
2917 2 43 ARG QB 2 44 VAL QG . . 3.910 3.890 2.837 4.646 0.736 7 4 "[ . +* 1 - . * 2]" 1
2918 2 43 ARG QG 2 44 VAL H . . 3.910 2.835 2.235 3.131 . 0 0 "[ . 1 . 2]" 1
2919 2 43 ARG QG 2 44 VAL HA . . 5.340 3.186 2.953 3.588 . 0 0 "[ . 1 . 2]" 1
2920 2 43 ARG QG 2 44 VAL HB . . 3.970 3.303 2.688 4.626 0.656 11 2 "[ . 1+ .- 2]" 1
2921 2 43 ARG QG 2 44 VAL QG . . 3.500 3.489 2.398 3.788 0.288 6 0 "[ . 1 . 2]" 1
2922 2 43 ARG QD 2 44 VAL QG . . 4.940 4.526 3.840 5.067 0.127 10 0 "[ . 1 . 2]" 1
2923 2 44 VAL H 2 44 VAL QG . . 3.150 2.156 2.035 2.299 . 0 0 "[ . 1 . 2]" 1
2924 2 44 VAL H 2 45 VAL QG . . 4.430 4.090 3.638 4.375 . 0 0 "[ . 1 . 2]" 1
2925 2 44 VAL H 2 65 LEU QD . . 5.190 4.798 4.486 4.951 . 0 0 "[ . 1 . 2]" 1
2926 2 44 VAL HA 2 65 LEU QD . . 4.800 4.363 4.013 4.539 . 0 0 "[ . 1 . 2]" 1
2927 2 44 VAL HB 2 65 LEU QD . . 4.460 3.670 2.625 3.901 . 0 0 "[ . 1 . 2]" 1
2928 2 44 VAL QG 2 45 VAL H . . 3.800 2.458 2.150 3.410 . 0 0 "[ . 1 . 2]" 1
2929 2 44 VAL QG 2 45 VAL HA . . 4.790 3.190 3.020 3.896 . 0 0 "[ . 1 . 2]" 1
2930 2 44 VAL QG 2 45 VAL HB . . 5.440 3.765 2.948 5.076 . 0 0 "[ . 1 . 2]" 1
2931 2 44 VAL QG 2 47 HIS HB3 . . 4.540 3.175 3.012 3.405 . 0 0 "[ . 1 . 2]" 1
2932 2 44 VAL QG 2 47 HIS HD2 . . 3.830 2.643 2.486 2.918 . 0 0 "[ . 1 . 2]" 1
2933 2 44 VAL QG 2 48 THR H . . 4.290 3.817 3.694 3.963 . 0 0 "[ . 1 . 2]" 1
2934 2 44 VAL QG 2 48 THR HA . . 4.770 4.776 4.599 5.024 0.254 5 0 "[ . 1 . 2]" 1
2935 2 44 VAL QG 2 48 THR HB . . 5.000 4.828 4.591 5.031 0.031 9 0 "[ . 1 . 2]" 1
2936 2 44 VAL QG 2 48 THR MG . . 3.080 2.320 2.101 2.499 . 0 0 "[ . 1 . 2]" 1
2937 2 44 VAL QG 2 48 THR HG1 . . 4.950 4.284 3.708 4.865 . 0 0 "[ . 1 . 2]" 1
2938 2 44 VAL QG 2 61 ILE MG . . 2.620 1.989 1.865 2.089 . 0 0 "[ . 1 . 2]" 1
2939 2 44 VAL QG 2 61 ILE MD . . 4.360 4.414 4.175 4.574 0.214 1 0 "[ . 1 . 2]" 1
2940 2 44 VAL QG 2 62 CYS H . . 5.120 4.603 4.421 4.775 . 0 0 "[ . 1 . 2]" 1
2941 2 44 VAL QG 2 65 LEU H . . 5.440 4.867 4.385 5.102 . 0 0 "[ . 1 . 2]" 1
2942 2 44 VAL QG 2 65 LEU HB2 . . 4.360 4.329 4.018 4.506 0.146 16 0 "[ . 1 . 2]" 1
2943 2 44 VAL QG 2 65 LEU HB3 . . 5.440 4.422 4.192 4.752 . 0 0 "[ . 1 . 2]" 1
2944 2 44 VAL QG 2 65 LEU HG . . 4.070 3.004 2.371 3.225 . 0 0 "[ . 1 . 2]" 1
2945 2 44 VAL QG 2 85 PHE HZ . . 5.440 4.628 3.872 5.030 . 0 0 "[ . 1 . 2]" 1
2946 2 45 VAL H 2 45 VAL QG . . 3.030 2.350 2.050 2.622 . 0 0 "[ . 1 . 2]" 1
2947 2 45 VAL H 2 65 LEU QD . . 4.330 4.074 3.632 4.388 0.058 3 0 "[ . 1 . 2]" 1
2948 2 45 VAL HA 2 45 VAL QG . . 2.790 2.257 2.176 2.385 . 0 0 "[ . 1 . 2]" 1
2949 2 45 VAL HA 2 65 LEU QD . . 3.800 3.273 2.839 3.693 . 0 0 "[ . 1 . 2]" 1
2950 2 45 VAL QG 2 46 GLN H . . 3.300 2.560 2.138 3.123 . 0 0 "[ . 1 . 2]" 1
2951 2 45 VAL QG 2 46 GLN HB2 . . 4.470 4.270 3.732 4.773 0.303 14 0 "[ . 1 . 2]" 1
2952 2 45 VAL QG 2 46 GLN QG . . 3.400 2.852 2.265 3.481 0.081 6 0 "[ . 1 . 2]" 1
2953 2 45 VAL QG 2 46 GLN HE21 . . 4.170 2.733 2.177 3.318 . 0 0 "[ . 1 . 2]" 1
2954 2 45 VAL QG 2 46 GLN HE22 . . 4.150 3.182 2.803 3.575 . 0 0 "[ . 1 . 2]" 1
2955 2 45 VAL QG 2 47 HIS H . . 4.790 4.324 4.062 4.612 . 0 0 "[ . 1 . 2]" 1
2956 2 45 VAL QG 2 48 THR H . . 5.240 4.365 4.156 4.542 . 0 0 "[ . 1 . 2]" 1
2957 2 45 VAL QG 2 48 THR HG1 . . 4.220 3.429 2.895 4.213 . 0 0 "[ . 1 . 2]" 1
2958 2 45 VAL QG 2 49 LYS H . . 5.010 4.399 4.146 4.948 . 0 0 "[ . 1 . 2]" 1
2959 2 45 VAL QG 2 49 LYS QD . . 3.310 3.188 2.722 3.662 0.352 12 0 "[ . 1 . 2]" 1
2960 2 45 VAL QG 2 49 LYS QE . . 2.950 2.215 1.864 3.362 0.412 7 0 "[ . 1 . 2]" 1
2961 2 47 HIS HD2 2 51 CYS QB . . 4.710 3.858 3.705 4.075 . 0 0 "[ . 1 . 2]" 1
2962 2 47 HIS HD2 2 65 LEU QD . . 5.440 4.204 3.961 4.424 . 0 0 "[ . 1 . 2]" 1
2963 2 47 HIS HE1 2 51 CYS QB . . 3.850 3.312 2.936 3.633 . 0 0 "[ . 1 . 2]" 1
2964 2 48 THR H 2 65 LEU QD . . 4.980 4.461 4.102 4.666 . 0 0 "[ . 1 . 2]" 1
2965 2 48 THR HA 2 51 CYS QB . . 3.900 2.032 1.820 2.367 . 0 0 "[ . 1 . 2]" 1
2966 2 48 THR HA 2 65 LEU QD . . 5.440 5.022 4.937 5.116 . 0 0 "[ . 1 . 2]" 1
2967 2 48 THR HB 2 65 LEU QD . . 4.170 4.008 3.887 4.124 . 0 0 "[ . 1 . 2]" 1
2968 2 48 THR MG 2 51 CYS QB . . 4.390 3.775 3.560 3.995 . 0 0 "[ . 1 . 2]" 1
2969 2 48 THR MG 2 65 LEU QD . . 2.870 1.793 1.729 1.870 . 0 0 "[ . 1 . 2]" 1
2970 2 48 THR HG1 2 51 CYS QB . . 5.340 5.181 4.883 5.532 0.192 3 0 "[ . 1 . 2]" 1
2971 2 48 THR HG1 2 65 LEU QD . . 4.660 3.981 3.405 4.567 . 0 0 "[ . 1 . 2]" 1
2972 2 50 GLY H 2 51 CYS QB . . 3.980 3.894 3.727 4.051 0.071 10 0 "[ . 1 . 2]" 1
2973 2 50 GLY HA2 2 52 LYS QG . . 5.340 4.640 3.987 5.872 0.532 5 1 "[ + 1 . 2]" 1
2974 2 51 CYS H 2 52 LYS QG . . 4.770 4.508 4.213 5.118 0.348 5 0 "[ . 1 . 2]" 1
2975 2 51 CYS HA 2 52 LYS QG . . 4.390 4.114 3.673 5.086 0.696 5 1 "[ + 1 . 2]" 1
2976 2 51 CYS QB 2 53 ARG H . . 4.730 4.270 4.124 4.456 . 0 0 "[ . 1 . 2]" 1
2977 2 52 LYS HA 2 52 LYS QG . . 3.120 2.496 2.411 2.818 . 0 0 "[ . 1 . 2]" 1
2978 2 52 LYS HA 2 56 ASN QD . . 5.340 5.415 4.151 6.116 0.776 14 8 "[* * . * -1 +* * *]" 1
2979 2 52 LYS HB3 2 56 ASN QD . . 4.780 3.815 2.924 4.638 . 0 0 "[ . 1 . 2]" 1
2980 2 52 LYS QD 2 52 LYS QG . . 2.280 2.082 2.026 2.121 . 0 0 "[ . 1 . 2]" 1
2981 2 52 LYS QE 2 52 LYS QG . . 2.660 2.267 2.173 2.429 . 0 0 "[ . 1 . 2]" 1
2982 2 52 LYS QG 2 53 ARG H . . 4.430 4.234 3.914 4.777 0.347 5 0 "[ . 1 . 2]" 1
2983 2 52 LYS QG 2 54 LYS QE . . 5.310 4.528 3.546 5.347 0.037 1 0 "[ . 1 . 2]" 1
2984 2 53 ARG HA 2 56 ASN QD . . 4.540 3.999 1.927 5.066 0.526 15 1 "[ . 1 + 2]" 1
2985 2 53 ARG QG 2 58 GLY QA . . 5.300 3.813 2.969 5.147 . 0 0 "[ . 1 . 2]" 1
2986 2 55 THR MG 2 56 ASN QD . . 4.150 3.541 1.858 4.315 0.165 2 0 "[ . 1 . 2]" 1
2987 2 56 ASN HA 2 56 ASN QD . . 4.360 3.223 1.961 4.080 . 0 0 "[ . 1 . 2]" 1
2988 2 56 ASN QB 2 56 ASN QD . . 2.810 2.224 2.120 2.720 . 0 0 "[ . 1 . 2]" 1
2989 2 58 GLY QA 2 59 CYS H . . 3.100 2.552 2.198 2.774 . 0 0 "[ . 1 . 2]" 1
2990 2 58 GLY QA 2 59 CYS QB . . 5.090 4.131 4.021 4.225 . 0 0 "[ . 1 . 2]" 1
2991 2 59 CYS QB 2 63 LYS QB . . 5.340 4.816 4.549 5.080 . 0 0 "[ . 1 . 2]" 1
2992 2 60 PRO HB3 2 63 LYS QB . . 4.710 3.948 3.787 4.103 . 0 0 "[ . 1 . 2]" 1
2993 2 61 ILE H 2 63 LYS QB . . 5.340 4.356 4.236 4.483 . 0 0 "[ . 1 . 2]" 1
2994 2 61 ILE HA 2 65 LEU QD . . 4.350 4.593 4.430 4.806 0.456 5 0 "[ . 1 . 2]" 1
2995 2 61 ILE MG 2 64 GLN QG . . 5.340 3.891 3.396 4.725 . 0 0 "[ . 1 . 2]" 1
2996 2 61 ILE MG 2 65 LEU QD . . 3.190 3.321 3.116 3.558 0.368 9 0 "[ . 1 . 2]" 1
2997 2 61 ILE MD 2 64 GLN QG . . 5.340 4.298 3.811 4.800 . 0 0 "[ . 1 . 2]" 1
2998 2 61 ILE MD 2 65 LEU QD . . 5.200 5.448 5.279 5.646 0.446 9 0 "[ . 1 . 2]" 1
2999 2 62 CYS H 2 63 LYS QB . . 4.420 4.259 4.161 4.347 . 0 0 "[ . 1 . 2]" 1
3000 2 62 CYS HA 2 65 LEU QD . . 3.990 3.194 3.012 3.463 . 0 0 "[ . 1 . 2]" 1
3001 2 63 LYS H 2 63 LYS QB . . 2.980 2.240 2.207 2.271 . 0 0 "[ . 1 . 2]" 1
3002 2 63 LYS H 2 64 GLN QG . . 4.800 4.035 3.694 4.544 . 0 0 "[ . 1 . 2]" 1
3003 2 63 LYS H 2 65 LEU QD . . 5.440 5.365 5.250 5.576 0.136 9 0 "[ . 1 . 2]" 1
3004 2 63 LYS QB 2 63 LYS QE . . 3.270 1.999 1.906 2.117 . 0 0 "[ . 1 . 2]" 1
3005 2 63 LYS QB 2 64 GLN H . . 3.510 2.584 2.408 2.734 . 0 0 "[ . 1 . 2]" 1
3006 2 63 LYS QB 2 64 GLN QG . . 5.180 3.752 3.457 3.972 . 0 0 "[ . 1 . 2]" 1
3007 2 63 LYS QE 2 64 GLN QG . . 3.920 3.429 2.587 4.081 0.161 13 0 "[ . 1 . 2]" 1
3008 2 64 GLN H 2 65 LEU QD . . 4.570 4.547 4.382 4.708 0.138 9 0 "[ . 1 . 2]" 1
3009 2 64 GLN HA 2 64 GLN QG . . 3.420 3.000 2.320 3.484 0.064 9 0 "[ . 1 . 2]" 1
3010 2 64 GLN QG 2 65 LEU H . . 4.460 3.021 2.021 4.212 . 0 0 "[ . 1 . 2]" 1
3011 2 64 GLN QG 2 65 LEU QD . . 4.790 3.459 2.435 4.706 . 0 0 "[ . 1 . 2]" 1
3012 2 64 GLN QE 2 65 LEU QD . . 5.440 3.948 2.143 4.861 . 0 0 "[ . 1 . 2]" 1
3013 2 64 GLN QE 2 68 LEU QD . . 5.440 4.457 2.926 4.721 . 0 0 "[ . 1 . 2]" 1
3014 2 65 LEU H 2 65 LEU QD . . 3.810 2.744 2.564 2.845 . 0 0 "[ . 1 . 2]" 1
3015 2 65 LEU H 2 68 LEU QD . . 4.130 3.874 3.773 3.948 . 0 0 "[ . 1 . 2]" 1
3016 2 65 LEU HA 2 65 LEU QD . . 3.190 2.104 2.030 2.151 . 0 0 "[ . 1 . 2]" 1
3017 2 65 LEU HA 2 68 LEU QD . . 3.070 1.895 1.800 2.001 . 0 0 "[ . 1 . 2]" 1
3018 2 65 LEU HB3 2 65 LEU QD . . 3.030 2.169 2.150 2.186 . 0 0 "[ . 1 . 2]" 1
3019 2 65 LEU HB3 2 68 LEU QD . . 5.440 3.710 3.542 3.912 . 0 0 "[ . 1 . 2]" 1
3020 2 65 LEU QD 2 66 ILE H . . 4.330 4.199 4.138 4.274 . 0 0 "[ . 1 . 2]" 1
3021 2 65 LEU QD 2 85 PHE QD . . 5.440 4.245 3.895 4.721 . 0 0 "[ . 1 . 2]" 1
3022 2 65 LEU QD 2 85 PHE QE . . 3.340 2.687 2.285 3.210 . 0 0 "[ . 1 . 2]" 1
3023 2 65 LEU QD 2 85 PHE HZ . . 4.110 3.133 2.195 3.594 . 0 0 "[ . 1 . 2]" 1
3024 2 66 ILE H 2 68 LEU QD . . 5.140 4.364 4.272 4.459 . 0 0 "[ . 1 . 2]" 1
3025 2 66 ILE HA 2 68 LEU QD . . 5.320 4.906 4.825 5.033 . 0 0 "[ . 1 . 2]" 1
3026 2 67 ALA H 2 68 LEU QB . . 4.850 4.865 4.727 5.005 0.155 13 0 "[ . 1 . 2]" 1
3027 2 67 ALA H 2 68 LEU QD . . 4.310 3.657 3.590 3.736 . 0 0 "[ . 1 . 2]" 1
3028 2 67 ALA MB 2 68 LEU QD . . 3.550 2.902 2.696 3.084 . 0 0 "[ . 1 . 2]" 1
3029 2 68 LEU H 2 68 LEU QD . . 3.540 1.976 1.879 2.121 . 0 0 "[ . 1 . 2]" 1
3030 2 68 LEU HA 2 68 LEU QD . . 3.250 2.191 2.142 2.241 . 0 0 "[ . 1 . 2]" 1
3031 2 68 LEU QB 2 68 LEU QD . . 2.580 2.080 2.070 2.091 . 0 0 "[ . 1 . 2]" 1
3032 2 68 LEU QB 2 69 ALA H . . 4.060 2.380 2.315 2.483 . 0 0 "[ . 1 . 2]" 1
3033 2 68 LEU QB 2 70 ALA H . . 4.950 4.541 4.494 4.621 . 0 0 "[ . 1 . 2]" 1
3034 2 68 LEU QB 2 71 TYR QD . . 4.330 4.080 3.981 4.161 . 0 0 "[ . 1 . 2]" 1
3035 2 68 LEU QB 2 71 TYR QE . . 4.130 5.136 5.051 5.230 1.100 3 20 [**+**-**************] 1
3036 2 68 LEU QD 2 69 ALA H . . 4.100 3.491 3.424 3.559 . 0 0 "[ . 1 . 2]" 1
3037 2 68 LEU QD 2 71 TYR QD . . 3.980 4.135 3.957 4.360 0.380 12 0 "[ . 1 . 2]" 1
3038 2 68 LEU QD 2 71 TYR QE . . 3.560 4.823 4.586 5.104 1.544 5 20 [***-+***************] 1
3039 2 69 ALA HA 2 83 VAL QG . . 3.950 3.471 3.001 4.118 0.168 20 0 "[ . 1 . 2]" 1
3040 2 72 HIS HD2 2 83 VAL QG . . 3.510 3.203 2.687 3.647 0.137 19 0 "[ . 1 . 2]" 1
3041 2 75 HIS H 2 75 HIS QB . . 3.430 2.552 2.473 2.614 . 0 0 "[ . 1 . 2]" 1
3042 2 75 HIS QB 2 75 HIS HE1 . . 4.470 4.407 4.356 4.500 0.030 7 0 "[ . 1 . 2]" 1
3043 2 75 HIS QB 2 76 CYS H . . 3.910 2.993 2.737 3.410 . 0 0 "[ . 1 . 2]" 1
3044 2 75 HIS QB 2 77 GLN HE22 . . 5.340 4.897 4.644 5.547 0.207 4 0 "[ . 1 . 2]" 1
3045 2 77 GLN H 2 78 GLU QB . . 4.710 4.005 3.834 4.295 . 0 0 "[ . 1 . 2]" 1
3046 2 77 GLN QB 2 77 GLN HE21 . . 3.870 2.215 1.838 3.674 . 0 0 "[ . 1 . 2]" 1
3047 2 77 GLN QB 2 77 GLN HE22 . . 4.080 3.499 3.303 4.228 0.148 12 0 "[ . 1 . 2]" 1
3048 2 77 GLN QB 2 78 GLU H . . 3.840 3.917 3.462 4.096 0.256 18 0 "[ . 1 . 2]" 1
3049 2 78 GLU H 2 78 GLU QB . . 2.990 2.427 2.191 2.808 . 0 0 "[ . 1 . 2]" 1
3050 2 78 GLU H 2 90 LYS QE . . 4.060 3.460 2.448 4.214 0.154 4 0 "[ . 1 . 2]" 1
3051 2 78 GLU HA 2 90 LYS QE . . 5.340 3.932 3.350 4.577 . 0 0 "[ . 1 . 2]" 1
3052 2 78 GLU QB 2 79 ASN H . . 4.010 3.671 3.149 3.910 . 0 0 "[ . 1 . 2]" 1
3053 2 78 GLU QB 2 80 LYS H . . 3.620 3.808 2.675 4.313 0.693 14 4 "[ . *-1* +. 2]" 1
3054 2 78 GLU QB 2 81 CYS H . . 4.210 4.252 3.066 5.046 0.836 16 8 "[ . - *** **+ * 2]" 1
3055 2 78 GLU QB 2 81 CYS HA . . 4.470 3.997 3.064 4.674 0.204 20 0 "[ . 1 . 2]" 1
3056 2 78 GLU QB 2 81 CYS HB2 . . 4.490 2.635 2.103 3.588 . 0 0 "[ . 1 . 2]" 1
3057 2 78 GLU QB 2 81 CYS HB3 . . 4.940 4.206 3.725 5.122 0.182 17 0 "[ . 1 . 2]" 1
3058 2 78 GLU QG 2 82 PRO QD . . 5.350 4.532 3.714 5.227 . 0 0 "[ . 1 . 2]" 1
3059 2 78 GLU QG 2 87 LEU QD . . 5.440 4.543 3.891 5.707 0.267 6 0 "[ . 1 . 2]" 1
3060 2 79 ASN H 2 80 LYS QB . . 5.340 4.480 4.214 4.836 . 0 0 "[ . 1 . 2]" 1
3061 2 79 ASN H 2 80 LYS QD . . 5.340 4.326 2.986 5.306 . 0 0 "[ . 1 . 2]" 1
3062 2 79 ASN HA 2 90 LYS QE . . 3.930 2.708 2.244 3.298 . 0 0 "[ . 1 . 2]" 1
3063 2 79 ASN HA 2 91 GLN QG . . 5.340 4.519 3.934 5.270 . 0 0 "[ . 1 . 2]" 1
3064 2 79 ASN HB2 2 80 LYS QG . . 4.580 4.677 4.192 5.017 0.437 19 0 "[ . 1 . 2]" 1
3065 2 79 ASN HB3 2 80 LYS QG . . 5.090 4.962 4.441 5.680 0.590 16 2 "[ . 1- .+ 2]" 1
3066 2 79 ASN QD 2 80 LYS QG . . 4.390 2.878 1.930 4.001 . 0 0 "[ . 1 . 2]" 1
3067 2 79 ASN QD 2 90 LYS QE . . 5.340 4.495 3.874 5.686 0.346 1 0 "[ . 1 . 2]" 1
3068 2 79 ASN QD 2 80 LYS QD . . 4.580 2.862 2.158 3.423 . 0 0 "[ . 1 . 2]" 1
3069 2 80 LYS H 2 80 LYS QB . . 3.530 2.545 2.422 2.829 . 0 0 "[ . 1 . 2]" 1
3070 2 80 LYS H 2 80 LYS QG . . 3.690 2.711 2.344 3.333 . 0 0 "[ . 1 . 2]" 1
3071 2 80 LYS H 2 80 LYS QD . . 3.990 3.061 1.958 3.744 . 0 0 "[ . 1 . 2]" 1
3072 2 80 LYS H 2 87 LEU QD . . 4.340 4.032 3.765 4.342 0.002 14 0 "[ . 1 . 2]" 1
3073 2 80 LYS HA 2 80 LYS QG . . 3.230 2.882 2.436 3.182 . 0 0 "[ . 1 . 2]" 1
3074 2 80 LYS HA 2 80 LYS QD . . 3.610 2.852 2.165 4.285 0.675 17 1 "[ . 1 . + 2]" 1
3075 2 80 LYS QB 2 80 LYS QG . . 2.360 2.032 2.002 2.106 . 0 0 "[ . 1 . 2]" 1
3076 2 80 LYS QB 2 80 LYS QE . . 3.120 2.139 1.872 3.075 . 0 0 "[ . 1 . 2]" 1
3077 2 80 LYS QB 2 81 CYS H . . 4.200 3.828 3.567 3.950 . 0 0 "[ . 1 . 2]" 1
3078 2 80 LYS QB 2 81 CYS HA . . 4.830 4.343 4.168 4.468 . 0 0 "[ . 1 . 2]" 1
3079 2 80 LYS QE 2 80 LYS QG . . 2.580 2.402 2.342 2.454 . 0 0 "[ . 1 . 2]" 1
3080 2 80 LYS QG 2 81 CYS H . . 4.750 4.706 4.503 4.906 0.156 9 0 "[ . 1 . 2]" 1
3081 2 80 LYS QD 2 80 LYS QE . . 2.350 2.103 2.030 2.118 . 0 0 "[ . 1 . 2]" 1
3082 2 81 CYS H 2 82 PRO QD . . 4.840 4.397 4.312 4.485 . 0 0 "[ . 1 . 2]" 1
3083 2 81 CYS H 2 87 LEU QD . . 3.830 2.272 1.930 2.574 . 0 0 "[ . 1 . 2]" 1
3084 2 81 CYS HA 2 87 LEU QD . . 4.150 4.068 3.918 4.236 0.086 15 0 "[ . 1 . 2]" 1
3085 2 81 CYS HB2 2 82 PRO QD . . 4.900 3.858 3.674 4.160 . 0 0 "[ . 1 . 2]" 1
3086 2 81 CYS HB2 2 87 LEU QD . . 3.710 2.987 2.320 3.300 . 0 0 "[ . 1 . 2]" 1
3087 2 81 CYS HB3 2 87 LEU QD . . 3.760 2.203 1.926 3.192 . 0 0 "[ . 1 . 2]" 1
3088 2 82 PRO HA 2 83 VAL QG . . 5.240 4.612 4.415 4.748 . 0 0 "[ . 1 . 2]" 1
3089 2 82 PRO HA 2 87 LEU QD . . 5.440 4.964 4.382 5.592 0.152 12 0 "[ . 1 . 2]" 1
3090 2 82 PRO HG2 2 83 VAL QG . . 3.740 2.479 2.200 2.722 . 0 0 "[ . 1 . 2]" 1
3091 2 82 PRO HG3 2 83 VAL QG . . 4.740 3.902 3.693 4.125 . 0 0 "[ . 1 . 2]" 1
3092 2 82 PRO QD 2 83 VAL QG . . 4.130 3.598 2.671 4.218 0.088 8 0 "[ . 1 . 2]" 1
3093 2 83 VAL H 2 83 VAL QG . . 3.170 2.006 1.828 2.182 . 0 0 "[ . 1 . 2]" 1
3094 2 83 VAL H 2 87 LEU QD . . 4.930 4.324 3.866 4.792 . 0 0 "[ . 1 . 2]" 1
3095 2 83 VAL QG 2 84 PRO QG . . 4.550 3.926 3.438 4.572 0.022 2 0 "[ . 1 . 2]" 1
3096 2 83 VAL QG 2 84 PRO HD2 . . 3.570 2.764 2.368 3.312 . 0 0 "[ . 1 . 2]" 1
3097 2 83 VAL QG 2 84 PRO HD3 . . 4.060 3.686 3.521 4.001 . 0 0 "[ . 1 . 2]" 1
3098 2 83 VAL QG 2 85 PHE QD . . 4.240 2.806 1.957 3.805 . 0 0 "[ . 1 . 2]" 1
3099 2 83 VAL QG 2 85 PHE QE . . 4.830 4.136 3.522 4.815 . 0 0 "[ . 1 . 2]" 1
3100 2 83 VAL QG 2 86 CYS H . . 4.010 2.254 1.791 3.032 . 0 0 "[ . 1 . 2]" 1
3101 2 83 VAL QG 2 86 CYS HA . . 3.830 3.945 3.746 4.208 0.378 2 0 "[ . 1 . 2]" 1
3102 2 83 VAL QG 2 86 CYS HB3 . . 3.950 2.672 1.924 3.383 . 0 0 "[ . 1 . 2]" 1
3103 2 83 VAL QG 2 87 LEU H . . 4.610 4.024 3.833 4.237 . 0 0 "[ . 1 . 2]" 1
3104 2 83 VAL QG 2 87 LEU HB2 . . 5.350 5.350 4.954 5.806 0.456 18 0 "[ . 1 . 2]" 1
3105 2 84 PRO HA 2 88 ASN QD . . 4.680 4.378 3.745 4.787 0.107 2 0 "[ . 1 . 2]" 1
3106 2 84 PRO QB 2 88 ASN QD . . 4.740 3.720 3.167 4.062 . 0 0 "[ . 1 . 2]" 1
3107 2 85 PHE HA 2 88 ASN QD . . 4.550 4.101 2.492 4.793 0.243 20 0 "[ . 1 . 2]" 1
3108 2 86 CYS H 2 87 LEU QD . . 4.930 4.339 3.917 4.847 . 0 0 "[ . 1 . 2]" 1
3109 2 86 CYS HB2 2 87 LEU QD . . 5.130 4.467 4.058 4.933 . 0 0 "[ . 1 . 2]" 1
3110 2 86 CYS HB3 2 87 LEU QD . . 4.020 3.030 2.562 3.575 . 0 0 "[ . 1 . 2]" 1
3111 2 87 LEU H 2 87 LEU QD . . 3.420 2.512 2.180 2.975 . 0 0 "[ . 1 . 2]" 1
3112 2 87 LEU HA 2 90 LYS QD . . 4.200 3.292 2.420 4.178 . 0 0 "[ . 1 . 2]" 1
3113 2 87 LEU HA 2 90 LYS QE . . 3.720 3.668 2.388 4.458 0.738 14 10 "[ * ** * -1 **+. * *2]" 1
3114 2 87 LEU HB2 2 87 LEU QD . . 2.720 2.296 2.181 2.445 . 0 0 "[ . 1 . 2]" 1
3115 2 87 LEU HB2 2 88 ASN QD . . 5.340 3.707 2.556 4.352 . 0 0 "[ . 1 . 2]" 1
3116 2 87 LEU HB3 2 87 LEU QD . . 2.640 2.265 2.166 2.354 . 0 0 "[ . 1 . 2]" 1
3117 2 87 LEU HB3 2 88 ASN QD . . 4.170 3.565 2.835 3.936 . 0 0 "[ . 1 . 2]" 1
3118 2 87 LEU QD 2 88 ASN HA . . 4.980 4.913 4.454 5.192 0.212 6 0 "[ . 1 . 2]" 1
3119 2 87 LEU QD 2 88 ASN QD . . 4.370 4.375 3.577 4.765 0.395 16 0 "[ . 1 . 2]" 1
3120 2 87 LEU QD 2 90 LYS QD . . 3.770 3.233 1.826 5.049 1.279 18 8 "[* .- * ** * + *]" 1
3121 2 87 LEU QD 2 90 LYS QE . . 3.260 3.388 3.168 3.571 0.311 18 0 "[ . 1 . 2]" 1
3122 2 87 LEU QD 2 91 GLN H . . 5.090 4.794 3.976 5.522 0.432 11 0 "[ . 1 . 2]" 1
3123 2 87 LEU QD 2 91 GLN HB3 . . 4.640 4.896 4.323 5.246 0.606 3 6 "[* + . -* * *]" 1
3124 2 87 LEU QD 2 91 GLN QG . . 3.320 2.786 2.103 3.655 0.335 8 0 "[ . 1 . 2]" 1
3125 2 87 LEU QD 2 91 GLN HE22 . . 4.130 3.059 1.869 4.624 0.494 18 0 "[ . 1 . 2]" 1
3126 2 88 ASN H 2 88 ASN QD . . 4.930 2.655 1.928 3.077 . 0 0 "[ . 1 . 2]" 1
3127 2 88 ASN HA 2 88 ASN QD . . 3.560 2.396 1.957 3.647 0.087 13 0 "[ . 1 . 2]" 1
3128 2 88 ASN HA 2 91 GLN QG . . 5.340 4.251 3.561 4.948 . 0 0 "[ . 1 . 2]" 1
3129 2 88 ASN HA 2 92 LYS QB . . 4.490 4.105 3.555 4.838 0.348 19 0 "[ . 1 . 2]" 1
3130 2 88 ASN HB2 2 88 ASN QD . . 3.330 3.079 2.214 3.360 0.030 12 0 "[ . 1 . 2]" 1
3131 2 88 ASN HB3 2 92 LYS QB . . 4.610 4.339 3.604 4.840 0.230 1 0 "[ . 1 . 2]" 1
3132 2 89 ILE HA 2 92 LYS QB . . 4.160 3.985 3.250 4.404 0.244 18 0 "[ . 1 . 2]" 1
3133 2 90 LYS H 2 90 LYS QD . . 4.070 3.875 3.507 4.438 0.368 3 0 "[ . 1 . 2]" 1
3134 2 90 LYS H 2 90 LYS QE . . 4.840 4.782 4.362 5.092 0.252 13 0 "[ . 1 . 2]" 1
3135 2 90 LYS QB 2 90 LYS QE . . 3.630 2.915 1.886 3.724 0.094 18 0 "[ . 1 . 2]" 1
3136 2 90 LYS QB 2 91 GLN QG . . 5.340 4.451 3.969 4.727 . 0 0 "[ . 1 . 2]" 1
3137 2 90 LYS QE 2 90 LYS HG2 . . 3.700 2.458 2.395 2.543 . 0 0 "[ . 1 . 2]" 1
3138 2 90 LYS QE 2 90 LYS HG3 . . 3.600 3.047 2.402 3.502 . 0 0 "[ . 1 . 2]" 1
3139 2 90 LYS QD 2 91 GLN H . . 3.930 3.261 2.727 3.993 0.063 3 0 "[ . 1 . 2]" 1
3140 2 90 LYS QD 2 91 GLN HA . . 3.850 3.158 2.699 3.969 0.119 3 0 "[ . 1 . 2]" 1
3141 2 90 LYS QD 2 91 GLN QG . . 3.540 2.442 1.909 3.204 . 0 0 "[ . 1 . 2]" 1
3142 2 90 LYS QD 2 91 GLN HE21 . . 4.900 3.845 3.144 4.977 0.077 20 0 "[ . 1 . 2]" 1
3143 2 90 LYS QE 2 91 GLN H . . 5.270 4.706 3.692 5.530 0.260 5 0 "[ . 1 . 2]" 1
3144 2 90 LYS QE 2 91 GLN QG . . 4.350 3.385 1.920 4.600 0.250 12 0 "[ . 1 . 2]" 1
3145 2 91 GLN HA 2 91 GLN QG . . 3.000 2.778 2.398 3.037 0.037 9 0 "[ . 1 . 2]" 1
3146 2 91 GLN HB2 2 91 GLN QG . . 2.560 2.240 2.170 2.396 . 0 0 "[ . 1 . 2]" 1
3147 2 91 GLN HE21 2 91 GLN QG . . 2.920 2.187 2.162 2.217 . 0 0 "[ . 1 . 2]" 1
3148 2 91 GLN QG 2 92 LYS H . . 4.680 4.095 3.949 4.223 . 0 0 "[ . 1 . 2]" 1
3149 2 92 LYS H 2 92 LYS QB . . 2.920 2.564 2.466 2.681 . 0 0 "[ . 1 . 2]" 1
3150 2 92 LYS HA 2 92 LYS QB . . 2.550 2.356 2.313 2.396 . 0 0 "[ . 1 . 2]" 1
3151 2 92 LYS QB 2 92 LYS QE . . 3.860 3.185 1.997 3.948 0.088 13 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 2160
_Distance_constraint_stats_list.Viol_total 16721.553
_Distance_constraint_stats_list.Viol_max 0.726
_Distance_constraint_stats_list.Viol_rms 0.1633
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3871
_Distance_constraint_stats_list.Viol_average_violations_only 0.3871
_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 14 THR 11.896 0.497 7 0 "[ . 1 . 2]"
1 15 ASP 16.401 0.585 1 7 "[+ * * 1 * *.- *2]"
1 16 LYS 12.595 0.633 7 2 "[ . + 1- . 2]"
1 17 GLU 6.404 0.352 7 0 "[ . 1 . 2]"
1 18 LEU 27.350 0.558 8 3 "[ . + - .* 2]"
1 19 SER 38.884 0.683 9 18 "[*-*** **+* *********]"
1 20 ASP 22.921 0.633 7 2 "[ . + 1- . 2]"
1 21 LEU 12.626 0.352 7 0 "[ . 1 . 2]"
1 22 LEU 33.157 0.614 3 11 "[ *+*. ** * **.* -*2]"
1 23 ASP 41.359 0.686 6 20 [*-***+**************]
1 24 PHE 10.326 0.469 1 0 "[ . 1 . 2]"
1 25 SER 6.222 0.239 7 0 "[ . 1 . 2]"
1 26 MET 17.703 0.614 3 9 "[ *+*. * * **. -*2]"
1 27 MET 18.876 0.686 6 20 [*****+***********-**]
2 7 PRO 19.780 0.621 3 13 "[**+** * * ***.* -*]"
2 8 GLY 20.633 0.683 20 20 [**************-****+]
2 9 ASP 16.518 0.583 18 5 "[ .* 1 *-* + 2]"
2 10 SER 24.911 0.726 3 20 [**+********-********]
2 11 ARG 33.143 0.621 3 13 "[**+-* * * ***.* **]"
2 12 ARG 34.529 0.683 20 20 [**************-****+]
2 13 LEU 27.151 0.583 18 5 "[ .* 1 *-* + 2]"
2 14 SER 48.260 0.726 3 20 [**+***-*************]
2 15 ILE 34.745 0.621 8 18 "[***-.* +************]"
2 16 GLN 20.329 0.493 19 0 "[ . 1 . 2]"
2 17 ARG 23.215 0.510 13 1 "[ . 1 + . 2]"
2 18 ALA 39.704 0.711 6 19 "[*****+******* *-****]"
2 19 ILE 27.877 0.621 8 17 "[**- .* +************]"
2 20 GLN 20.323 0.537 9 4 "[ *. +1 .- * 2]"
2 21 SER 25.418 0.510 13 1 "[ . 1 + . 2]"
2 22 LEU 35.350 0.606 13 14 "[****.*** ** +*.-* *2]"
2 23 VAL 27.387 0.613 17 17 "[****** **1******+*-2]"
2 24 HIS 13.890 0.537 9 4 "[ *. +1 .- * 2]"
2 25 ALA 12.835 0.490 18 0 "[ . 1 . 2]"
2 26 ALA 18.995 0.606 13 13 "[****.**- ** +*. * *2]"
2 27 GLN 20.892 0.613 17 17 "[****** **1******+*-2]"
2 36 PRO 14.774 0.637 20 2 "[ . - . +]"
2 37 SER 13.736 0.661 9 2 "[ . +1- . 2]"
2 38 CYS 7.168 0.361 10 0 "[ . 1 . 2]"
2 39 GLN 16.434 0.623 12 5 "[- * . * * + . 2]"
2 40 LYS 36.484 0.676 12 15 "[ ** * **-*+ *******]"
2 41 MET 19.093 0.661 9 2 "[ . +1- . 2]"
2 42 LYS 23.904 0.623 18 9 "[ *. * *- * * *+ *]"
2 43 ARG 35.806 0.623 12 16 "[****. *-** + *******]"
2 44 VAL 28.527 0.676 12 15 "[ ** * **-*+ *******]"
2 45 VAL 27.305 0.655 18 18 "[***** ******* *-*+**]"
2 46 GLN 40.069 0.654 4 20 [***+**********-*****]
2 47 HIS 19.372 0.616 17 13 "[ * *. -** * ***+***]"
2 48 THR 6.817 0.309 5 0 "[ . 1 . 2]"
2 49 LYS 21.948 0.655 18 18 "[***** ******* *-*+**]"
2 50 GLY 23.333 0.654 4 20 [***+**********-*****]
2 52 LYS 16.238 0.659 4 6 "[* +. -*1* .* 2]"
2 56 ASN 16.238 0.659 4 6 "[* +. -*1* .* 2]"
2 60 PRO 15.778 0.523 10 2 "[ . +- . 2]"
2 61 ILE 25.147 0.722 2 19 "[*+*************- ***]"
2 62 CYS 10.766 0.366 18 0 "[ . 1 . 2]"
2 63 LYS 19.538 0.660 17 19 "[******** -******+***]"
2 64 GLN 39.856 0.681 7 20 [******+***-*********]
2 65 LEU 44.768 0.722 2 20 [*+*******-**********]
2 66 ILE 18.353 0.366 18 0 "[ . 1 . 2]"
2 67 ALA 43.873 0.681 19 20 [*********-********+*]
2 68 LEU 34.045 0.681 7 20 [*-****+*************]
2 69 ALA 28.159 0.610 8 14 "[ ** .**+ -***** ** *]"
2 70 ALA 26.254 0.573 18 16 "[* * *****-****** +*2]"
2 71 TYR 24.335 0.681 19 20 [*****-************+*]
2 72 HIS 9.967 0.395 8 0 "[ . 1 . 2]"
2 73 ALA 8.538 0.358 13 0 "[ . 1 . 2]"
2 74 LYS 18.668 0.573 18 16 "[* * *****-****** +*2]"
2 84 PRO 18.622 0.670 17 9 "[* . * * **-.*+ *2]"
2 85 PHE 12.257 0.493 19 0 "[ . 1 . 2]"
2 86 CYS 17.085 0.651 11 8 "[* **. * *+ * - 2]"
2 87 LEU 9.163 0.493 17 0 "[ . 1 . 2]"
2 88 ASN 18.622 0.670 17 9 "[* . * * **-.*+ *2]"
2 89 ILE 12.257 0.493 19 0 "[ . 1 . 2]"
2 90 LYS 17.085 0.651 11 8 "[* **. * *+ * - 2]"
2 91 GLN 9.163 0.493 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 THR O 1 18 LEU H . . 1.800 2.076 1.976 2.248 0.448 7 0 "[ . 1 . 2]" 2
2 1 14 THR O 1 18 LEU N . . 2.700 3.019 2.901 3.197 0.497 7 0 "[ . 1 . 2]" 2
3 1 15 ASP O 1 19 SER H . . 1.800 2.234 2.028 2.385 0.585 1 7 "[+ * * 1 * *.- *2]" 2
4 1 15 ASP O 1 19 SER N . . 2.700 3.086 2.863 3.277 0.577 8 5 "[* . + 1 * .- *2]" 2
5 1 16 LYS O 1 20 ASP H . . 1.800 2.117 1.961 2.389 0.589 7 2 "[ . + 1- . 2]" 2
6 1 16 LYS O 1 20 ASP N . . 2.700 3.012 2.810 3.333 0.633 7 2 "[ . + 1- . 2]" 2
7 1 17 GLU O 1 21 LEU H . . 1.800 1.964 1.921 2.091 0.291 7 0 "[ . 1 . 2]" 2
8 1 17 GLU O 1 21 LEU N . . 2.700 2.856 2.732 3.052 0.352 7 0 "[ . 1 . 2]" 2
9 1 18 LEU O 1 22 LEU H . . 1.800 2.206 2.048 2.351 0.551 16 3 "[ . * - .+ 2]" 2
10 1 18 LEU O 1 22 LEU N . . 2.700 3.066 2.862 3.258 0.558 8 2 "[ . + 1 .- 2]" 2
11 1 19 SER O 1 23 ASP H . . 1.800 2.344 2.028 2.450 0.650 9 16 "[* -** **+* ** ******]" 2
12 1 19 SER O 1 23 ASP N . . 2.700 3.280 2.938 3.383 0.683 9 17 "[*-*** **+* ** ******]" 2
13 1 20 ASP O 1 24 PHE H . . 1.800 2.063 1.939 2.264 0.464 1 0 "[ . 1 . 2]" 2
14 1 20 ASP O 1 24 PHE N . . 2.700 2.954 2.783 3.169 0.469 1 0 "[ . 1 . 2]" 2
15 1 21 LEU O 1 25 SER H . . 1.800 1.953 1.908 2.022 0.222 7 0 "[ . 1 . 2]" 2
16 1 21 LEU O 1 25 SER N . . 2.700 2.859 2.804 2.939 0.239 7 0 "[ . 1 . 2]" 2
17 1 22 LEU O 1 26 MET H . . 1.800 2.257 2.027 2.414 0.614 3 8 "[ *+*. * *-. **2]" 2
18 1 22 LEU O 1 26 MET N . . 2.700 3.129 2.876 3.303 0.603 10 8 "[ ***. * + * . -*2]" 2
19 1 23 ASP O 1 27 MET H . . 1.800 2.389 2.319 2.486 0.686 6 20 [*****+***********-**] 2
20 1 23 ASP O 1 27 MET N . . 2.700 3.055 2.909 3.193 0.493 6 0 "[ . 1 . 2]" 2
21 2 7 PRO O 2 11 ARG H . . 1.800 2.267 2.104 2.348 0.548 3 9 "[ *+-* * * ***. 2]" 2
22 2 7 PRO O 2 11 ARG N . . 2.700 3.222 3.066 3.321 0.621 3 13 "[**+** * * ***.* -*]" 2
23 2 8 GLY O 2 12 ARG H . . 1.800 2.415 2.357 2.483 0.683 20 20 [******************-+] 2
24 2 8 GLY O 2 12 ARG N . . 2.700 3.117 2.985 3.236 0.536 20 2 "[ . 1 - +]" 2
25 2 9 ASP O 2 13 LEU H . . 1.800 2.209 2.068 2.383 0.583 18 5 "[ .* 1 *-* + 2]" 2
26 2 9 ASP O 2 13 LEU N . . 2.700 3.117 2.979 3.273 0.573 18 3 "[ .- 1 *. + 2]" 2
27 2 10 SER O 2 14 SER H . . 1.800 2.386 2.264 2.450 0.650 3 18 "[**+******1* ******-*]" 2
28 2 10 SER O 2 14 SER N . . 2.700 3.360 3.229 3.426 0.726 3 20 [**+********-********] 2
29 2 11 ARG O 2 15 ILE H . . 1.800 2.144 2.034 2.330 0.530 4 2 "[ +. 1 -. 2]" 2
30 2 11 ARG O 2 15 ILE N . . 2.700 3.024 2.887 3.205 0.505 14 2 "[ -. 1 +. 2]" 2
31 2 12 ARG O 2 16 GLN H . . 1.800 2.148 2.057 2.274 0.474 19 0 "[ . 1 . 2]" 2
32 2 12 ARG O 2 16 GLN N . . 2.700 3.046 2.928 3.193 0.493 19 0 "[ . 1 . 2]" 2
33 2 13 LEU O 2 17 ARG H . . 1.800 2.068 1.998 2.174 0.374 6 0 "[ . 1 . 2]" 2
34 2 13 LEU O 2 17 ARG N . . 2.700 2.964 2.872 3.085 0.385 6 0 "[ . 1 . 2]" 2
35 2 14 SER O 2 18 ALA H . . 1.800 2.383 2.249 2.457 0.657 6 19 "[***-*+******* ******]" 2
36 2 14 SER O 2 18 ALA N . . 2.700 3.285 3.097 3.411 0.711 6 16 "[*** .+-****** **** *]" 2
37 2 15 ILE O 2 19 ILE H . . 1.800 2.329 2.236 2.406 0.606 8 16 "[** .* +****-*******]" 2
38 2 15 ILE O 2 19 ILE N . . 2.700 3.240 3.143 3.321 0.621 8 16 "[**- .* +********** *]" 2
39 2 16 GLN O 2 20 GLN H . . 1.800 1.964 1.895 2.040 0.240 20 0 "[ . 1 . 2]" 2
40 2 16 GLN O 2 20 GLN N . . 2.700 2.858 2.774 2.990 0.290 20 0 "[ . 1 . 2]" 2
41 2 17 ARG O 2 21 SER H . . 1.800 2.147 2.001 2.310 0.510 13 1 "[ . 1 + . 2]" 2
42 2 17 ARG O 2 21 SER N . . 2.700 2.982 2.840 3.142 0.442 13 0 "[ . 1 . 2]" 2
43 2 18 ALA O 2 22 LEU H . . 1.800 2.226 2.138 2.301 0.501 16 1 "[ . 1 .+ 2]" 2
44 2 18 ALA O 2 22 LEU N . . 2.700 3.092 3.006 3.199 0.499 6 0 "[ . 1 . 2]" 2
45 2 19 ILE O 2 23 VAL H . . 1.800 1.949 1.892 2.066 0.266 17 0 "[ . 1 . 2]" 2
46 2 19 ILE O 2 23 VAL N . . 2.700 2.875 2.775 3.031 0.331 17 0 "[ . 1 . 2]" 2
47 2 20 GLN O 2 24 HIS H . . 1.800 2.181 2.029 2.337 0.537 9 4 "[ *. +1 .- * 2]" 2
48 2 20 GLN O 2 24 HIS N . . 2.700 3.013 2.861 3.180 0.480 9 0 "[ . 1 . 2]" 2
49 2 21 SER O 2 25 ALA H . . 1.800 2.088 1.986 2.211 0.411 18 0 "[ . 1 . 2]" 2
50 2 21 SER O 2 25 ALA N . . 2.700 3.054 2.955 3.190 0.490 18 0 "[ . 1 . 2]" 2
51 2 22 LEU O 2 26 ALA H . . 1.800 2.305 2.184 2.406 0.606 13 13 "[****.**- ** +*. * *2]" 2
52 2 22 LEU O 2 26 ALA N . . 2.700 3.145 3.016 3.261 0.561 13 4 "[ -. * 1 +*. 2]" 2
53 2 23 VAL O 2 27 GLN H . . 1.800 2.327 2.169 2.413 0.613 17 16 "[****** **1*** **+*-2]" 2
54 2 23 VAL O 2 27 GLN N . . 2.700 3.218 3.068 3.307 0.607 1 13 "[+ **. **1***-**** 2]" 2
55 2 36 PRO O 2 40 LYS H . . 1.800 2.134 1.976 2.355 0.555 20 1 "[ . 1 . +]" 2
56 2 36 PRO O 2 40 LYS N . . 2.700 3.105 2.945 3.337 0.637 20 2 "[ . - . +]" 2
57 2 37 SER O 2 41 MET H . . 1.800 2.155 2.059 2.461 0.661 9 2 "[ . +1- . 2]" 2
58 2 37 SER O 2 41 MET N . . 2.700 3.032 2.886 3.301 0.601 9 2 "[ . +1- . 2]" 2
59 2 38 CYS O 2 42 LYS H . . 1.800 1.991 1.918 2.134 0.334 10 0 "[ . 1 . 2]" 2
60 2 38 CYS O 2 42 LYS N . . 2.700 2.867 2.748 3.061 0.361 10 0 "[ . 1 . 2]" 2
61 2 39 GLN O 2 43 ARG H . . 1.800 2.210 2.063 2.360 0.560 12 5 "[- * . * * + . 2]" 2
62 2 39 GLN O 2 43 ARG N . . 2.700 3.111 2.911 3.323 0.623 12 5 "[- * . * * + . 2]" 2
63 2 40 LYS O 2 44 VAL H . . 1.800 2.334 2.172 2.467 0.667 12 15 "[ ** * **-*+ *******]" 2
64 2 40 LYS O 2 44 VAL N . . 2.700 3.251 3.046 3.376 0.676 12 15 "[ ** * ****+ ***-***]" 2
65 2 41 MET O 2 45 VAL H . . 1.800 1.933 1.836 2.000 0.200 8 0 "[ . 1 . 2]" 2
66 2 41 MET O 2 45 VAL N . . 2.700 2.835 2.740 2.928 0.228 12 0 "[ . 1 . 2]" 2
67 2 42 LYS O 2 46 GLN H . . 1.800 2.194 1.994 2.390 0.590 18 7 "[ *. *- * * + *]" 2
68 2 42 LYS O 2 46 GLN N . . 2.700 3.143 2.962 3.323 0.623 18 9 "[ *. - ** * * *+ *]" 2
69 2 43 ARG O 2 47 HIS H . . 1.800 2.297 2.029 2.416 0.616 17 13 "[ * *. *-* * ***+***]" 2
70 2 43 ARG O 2 47 HIS N . . 2.700 3.172 2.932 3.308 0.608 15 10 "[ * *. - * *+ ****]" 2
71 2 44 VAL O 2 48 THR H . . 1.800 1.992 1.939 2.109 0.309 5 0 "[ . 1 . 2]" 2
72 2 44 VAL O 2 48 THR N . . 2.700 2.849 2.762 2.982 0.282 9 0 "[ . 1 . 2]" 2
73 2 45 VAL O 2 49 LYS H . . 1.800 2.347 2.219 2.440 0.640 17 17 "[***** ******* .-+***]" 2
74 2 45 VAL O 2 49 LYS N . . 2.700 3.250 3.128 3.355 0.655 18 17 "[*-*** ***** * ***+**]" 2
75 2 46 GLN O 2 50 GLY H . . 1.800 2.394 2.335 2.440 0.640 1 20 [+******-************] 2
76 2 46 GLN O 2 50 GLY N . . 2.700 3.272 3.173 3.354 0.654 4 16 "[* *+.** *****-*****]" 2
77 2 52 LYS O 2 56 ASN H . . 1.800 2.222 2.031 2.411 0.611 4 6 "[* +. -*1* .* 2]" 2
78 2 52 LYS O 2 56 ASN N . . 2.700 3.090 2.840 3.359 0.659 4 3 "[ +. - 1 .* 2]" 2
79 2 60 PRO O 2 64 GLN H . . 1.800 2.188 2.078 2.323 0.523 10 2 "[ . +- . 2]" 2
80 2 60 PRO O 2 64 GLN N . . 2.700 3.101 2.972 3.216 0.516 10 1 "[ . + . 2]" 2
81 2 61 ILE O 2 65 LEU H . . 1.800 2.409 2.261 2.463 0.663 2 19 "[*+*************- ***]" 2
82 2 61 ILE O 2 65 LEU N . . 2.700 3.348 3.175 3.422 0.722 2 19 "[*+*************- ***]" 2
83 2 62 CYS O 2 66 ILE H . . 1.800 2.080 1.999 2.166 0.366 18 0 "[ . 1 . 2]" 2
84 2 62 CYS O 2 66 ILE N . . 2.700 2.959 2.847 3.062 0.362 18 0 "[ . 1 . 2]" 2
85 2 63 LYS O 2 67 ALA H . . 1.800 2.364 2.193 2.460 0.660 17 19 "[******** *******+*-*]" 2
86 2 63 LYS O 2 67 ALA N . . 2.700 3.112 2.917 3.258 0.558 17 4 "[* . * - . + 2]" 2
87 2 64 GLN O 2 68 LEU H . . 1.800 2.389 2.342 2.439 0.639 7 20 [*-****+*************] 2
88 2 64 GLN O 2 68 LEU N . . 2.700 3.315 3.257 3.381 0.681 7 20 [*-****+*************] 2
89 2 65 LEU O 2 69 ALA H . . 1.800 2.268 2.126 2.352 0.552 8 8 "[ * . + 1-***. ** 2]" 2
90 2 65 LEU O 2 69 ALA N . . 2.700 3.213 3.057 3.310 0.610 8 14 "[ ** .**+ -***** ** *]" 2
91 2 66 ILE O 2 70 ALA H . . 1.800 2.092 2.013 2.155 0.355 15 0 "[ . 1 . 2]" 2
92 2 66 ILE O 2 70 ALA N . . 2.700 2.787 2.723 2.836 0.136 16 0 "[ . 1 . 2]" 2
93 2 67 ALA O 2 71 TYR H . . 1.800 2.369 2.332 2.398 0.598 19 20 [*****-************+*] 2
94 2 67 ALA O 2 71 TYR N . . 2.700 3.348 3.313 3.381 0.681 19 20 [*****-************+*] 2
95 2 68 LEU O 2 72 HIS H . . 1.800 2.042 1.969 2.166 0.366 8 0 "[ . 1 . 2]" 2
96 2 68 LEU O 2 72 HIS N . . 2.700 2.957 2.865 3.095 0.395 8 0 "[ . 1 . 2]" 2
97 2 69 ALA O 2 73 ALA H . . 1.800 2.084 2.031 2.158 0.358 13 0 "[ . 1 . 2]" 2
98 2 69 ALA O 2 73 ALA N . . 2.700 2.843 2.760 2.920 0.220 13 0 "[ . 1 . 2]" 2
99 2 70 ALA O 2 74 LYS H . . 1.800 2.316 2.214 2.373 0.573 18 16 "[* * *****-****** +*2]" 2
100 2 70 ALA O 2 74 LYS N . . 2.700 3.117 3.014 3.181 0.481 16 0 "[ . 1 . 2]" 2
101 2 84 PRO O 2 88 ASN H . . 1.800 2.234 2.102 2.393 0.593 17 5 "[ . 1 *-.*+ *2]" 2
102 2 84 PRO O 2 88 ASN N . . 2.700 3.197 3.038 3.370 0.670 17 9 "[* . - * ***.*+ *2]" 2
103 2 85 PHE O 2 89 ILE H . . 1.800 2.146 2.040 2.293 0.493 19 0 "[ . 1 . 2]" 2
104 2 85 PHE O 2 89 ILE N . . 2.700 2.967 2.863 3.192 0.492 19 0 "[ . 1 . 2]" 2
105 2 86 CYS O 2 90 LYS H . . 1.800 2.219 2.030 2.369 0.569 11 7 "[* **. * *+ . - 2]" 2
106 2 86 CYS O 2 90 LYS N . . 2.700 3.136 2.914 3.351 0.651 11 7 "[* * . * *+ - * 2]" 2
107 2 87 LEU O 2 91 GLN H . . 1.800 2.065 1.917 2.293 0.493 17 0 "[ . 1 . 2]" 2
108 2 87 LEU O 2 91 GLN N . . 2.700 2.893 2.799 3.061 0.361 16 0 "[ . 1 . 2]" 2
stop_
save_
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