NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582243 |
2mre   |
25070 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mre
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 2846
_Distance_constraint_stats_list.Viol_count 10806
_Distance_constraint_stats_list.Viol_total 45125.895
_Distance_constraint_stats_list.Viol_max 1.223
_Distance_constraint_stats_list.Viol_rms 0.1112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0396
_Distance_constraint_stats_list.Viol_average_violations_only 0.2088
_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 4 MET 33.893 0.682 16 10 "[* *. -*** * *+ *2]"
1 5 GLN 79.952 0.894 4 20 [*-*+****************]
1 6 ILE 111.946 0.894 4 20 [**-+****************]
1 7 PHE 47.914 0.698 10 13 "[****.****+ * * - *]"
1 8 VAL 58.405 0.674 15 8 "[* . ** * * +** 2]"
1 9 LYS 151.043 0.809 17 20 [***********-****+***]
1 10 THR 48.896 0.582 17 13 "[** *. * **-* **+ **]"
1 11 LEU 22.215 0.623 2 3 "[ + - * 1 . 2]"
1 12 THR 28.989 0.657 1 9 "[+***. 1 * -.** *]"
1 13 GLY 42.943 0.874 20 11 "[*** .*- * * * * *+]"
1 14 LYS 84.208 0.887 20 14 "[******* * * -*** +]"
1 15 THR 57.038 0.674 15 9 "[ - . ** * ** +** 2]"
1 16 ILE 109.910 0.711 12 18 "[****.** -**+********]"
1 17 THR 55.660 0.908 19 20 [**-***************+*]
1 18 LEU 40.396 0.526 12 3 "[ .- *1 + . 2]"
1 19 GLU 14.603 0.786 5 6 "[ **+- ** . 2]"
1 20 VAL 48.083 0.682 16 8 "[ *. -** * *+ *2]"
1 21 GLU 58.382 0.837 12 20 [***********+**-*****]
1 22 PRO 31.990 1.131 13 4 "[ . 1 *+*. - 2]"
1 23 SER 63.236 1.124 18 20 [***********-*****+**]
1 24 ASP 16.895 0.790 18 2 "[ . - 1 . + 2]"
1 25 THR 38.322 1.124 18 18 "[*********** **** +**]"
1 26 ILE 106.972 0.969 12 20 [*****-*****+********]
1 27 GLU 1.117 0.489 12 0 "[ . 1 . 2]"
1 28 ASN 23.184 0.652 16 2 "[ . 1 - .+ 2]"
1 29 VAL 28.270 0.697 9 7 "[* *. +1 ** .-* 2]"
1 30 LYS 30.414 0.641 6 4 "[ *.+ 1- * . 2]"
1 31 ALA 34.165 0.761 3 15 "[ + * ********** **-]"
1 32 LYS 37.038 1.223 9 9 "[* **. +1 ** .-* *]"
1 33 ILE 59.522 1.223 9 7 "[ **.* +1 *. * -2]"
1 34 GLN 77.849 0.674 18 14 "[***-* * * ***.**+*2]"
1 35 ASP 69.551 0.615 13 10 "[** *.-* *1**+ . * 2]"
1 36 LYS 102.446 0.908 19 20 [**-***************+*]
1 37 GLU 66.943 0.642 14 8 "[* - . * *1 *+** 2]"
1 38 GLY 28.050 0.511 18 3 "[ .- 1* . + 2]"
1 39 ILE 113.035 0.674 18 15 "[***-* *** ***.**+*2]"
1 40 PRO 22.569 0.399 16 0 "[ . 1 . 2]"
1 41 PRO 49.773 0.698 15 16 "[ ****** *****+* **-]"
1 42 ASP 20.750 0.420 11 0 "[ . 1 . 2]"
1 43 GLN 49.183 0.968 8 8 "[-* *.* + * * . * 2]"
1 44 GLN 29.618 0.497 6 0 "[ . 1 . 2]"
1 45 ARG 44.291 0.866 14 14 "[** ***** 1 **+.-** *]"
1 46 LEU 44.693 0.641 6 6 "[ *.+* *- . *2]"
1 47 ILE 140.372 0.867 13 17 "[******** ***+**- **]"
1 48 PHE 28.272 0.677 3 3 "[ + . * . -]"
1 49 ALA 39.852 0.637 10 11 "[ **-*** + ** .* *]"
1 50 GLY 20.362 0.639 5 2 "[ + 1- . 2]"
1 51 LYS 28.886 0.604 4 7 "[ *+.* - ** . * 2]"
1 52 GLN 28.737 0.867 13 10 "[ -*** * 1* +*. **]"
1 53 LEU 31.887 0.547 10 2 "[ . +- . 2]"
1 54 GLU 49.710 0.969 12 19 "[***********+*-**** *]"
1 55 ASP 19.108 0.431 8 0 "[ . 1 . 2]"
1 56 GLY 1.284 0.243 17 0 "[ . 1 . 2]"
1 57 ARG 62.955 0.626 17 6 "[** . * 1 -. + *]"
1 58 THR 75.751 0.774 3 20 [**+********-********]
1 59 LEU 60.377 0.837 12 12 "[* *.* * - +****** 2]"
1 60 SER 33.404 1.131 13 12 "[* ***- 1**+*.** *]"
1 61 ASP 19.218 0.595 12 4 "[- . 1 + *. * 2]"
1 62 TYR 63.014 0.651 5 18 "[****+******-**** **2]"
1 63 ASN 42.422 0.604 4 17 "[***+**** -** *** ***]"
1 64 ILE 118.527 0.614 4 20 [***+******-*********]
1 65 GLN 48.321 0.730 3 8 "[* + . * *1 -* * *2]"
1 66 LYS 70.519 0.738 8 15 "[****.**+**** -* * *]"
1 67 GLU 46.135 0.678 7 10 "[*** .*+*-** . *]"
1 68 SER 36.088 0.616 3 4 "[ +-* 1 * . 2]"
1 69 THR 32.073 0.671 3 7 "[ + ** *1* . -*2]"
1 70 LEU 60.546 0.887 14 11 "[ * * ***1* *+. -**]"
1 71 HIS 47.826 0.887 14 13 "[****. * ** *+* * **]"
1 72 LEU 30.278 0.718 19 7 "[ * * * ** -. +2]"
1 73 VAL 30.592 0.841 13 13 "[****** * 1* +-* ** 2]"
1 74 LEU 62.346 0.887 20 13 "[*-* *** 1*** * ** +]"
1 75 ARG 49.388 0.923 10 8 "[-** * + *. **2]"
1 76 LEU 29.202 0.968 8 11 "[ **** +*** .- **]"
1 77 ARG 19.083 0.623 19 2 "[ . 1 . - +2]"
1 78 GLY 7.436 0.750 10 6 "[ * . +* .*- *]"
1 79 GLY 10.519 0.669 11 6 "[ *- *1+ .* *]"
2 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 VAL 5.569 0.613 19 3 "[- * . 1 . +2]"
2 6 THR 13.534 1.113 14 4 "[- * . 1 +. *2]"
2 7 LYS 28.042 1.113 14 20 [**-**********+******]
2 8 VAL 31.099 0.787 2 20 [*+-*****************]
2 9 ASP 4.899 0.497 9 0 "[ . 1 . 2]"
2 10 CYS 19.593 0.532 8 1 "[ . + 1 . 2]"
2 11 PRO 12.372 0.504 8 1 "[ . + 1 . 2]"
2 12 VAL 12.909 0.894 11 1 "[ . 1+ . 2]"
2 13 CYS 11.866 0.731 6 2 "[ .+ 1 . -]"
2 14 GLY 28.971 0.658 11 2 "[ . - 1+ . 2]"
2 15 VAL 28.238 0.894 11 1 "[ . 1+ . 2]"
2 16 ASN 16.480 0.392 10 0 "[ . 1 . 2]"
2 17 ILE 31.628 0.605 11 6 "[ . *- 1+ .** *2]"
2 18 PRO 23.319 0.730 19 7 "[ * *. ** 1* * . +2]"
2 19 GLU 12.020 0.623 2 3 "[ + - * 1 . 2]"
2 20 SER 7.664 0.730 19 5 "[ * . * 1* - . +2]"
2 21 HIS 28.294 0.691 11 8 "[ *. ** 1+ * .** -2]"
2 22 ILE 33.644 0.662 20 3 "[ .* 1- . +]"
2 23 ASN 4.930 0.302 2 0 "[ . 1 . 2]"
2 24 LYS 42.495 0.979 15 13 "[* *** *** **+ ** -]"
2 25 HIS 12.574 0.662 20 3 "[ -* 1 . +]"
2 26 LEU 42.352 0.747 6 6 "[ *+ * * .- *]"
2 27 ASP 24.821 0.979 15 7 "[* - * 1 **+ * 2]"
2 28 SER 34.154 0.820 15 11 "[ * *-* ** * + ***]"
2 29 CYS 43.496 0.526 5 2 "[ + 1 . -]"
2 30 LEU 45.411 1.165 10 19 "[ ********+*****-****]"
2 31 SER 25.083 1.165 10 19 "[ ********+**-*******]"
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 50 GLY HA2 2 12 VAL MG1 . . 3.450 3.017 2.552 3.520 0.070 6 0 "[ . 1 . 2]" 1
2 1 50 GLY HA3 2 12 VAL MG1 . . 3.320 2.633 2.117 3.237 . 0 0 "[ . 1 . 2]" 1
3 1 50 GLY HA3 2 12 VAL HA . . 4.080 2.936 2.461 3.497 . 0 0 "[ . 1 . 2]" 1
4 1 45 ARG HD3 2 26 LEU MD1 . . 5.140 2.517 1.850 4.420 . 0 0 "[ . 1 . 2]" 1
5 1 45 ARG HD3 2 23 ASN HA . . 4.600 4.194 3.773 4.893 0.293 5 0 "[ . 1 . 2]" 1
6 1 45 ARG HD2 2 23 ASN HA . . 4.820 4.275 3.903 4.859 0.039 6 0 "[ . 1 . 2]" 1
7 1 11 LEU HB2 2 9 ASP H . . 5.330 4.225 3.655 4.839 . 0 0 "[ . 1 . 2]" 1
8 1 11 LEU HB3 2 9 ASP H . . 4.620 2.606 2.088 3.128 . 0 0 "[ . 1 . 2]" 1
9 1 11 LEU HB3 2 8 VAL QG . . 3.210 2.538 2.214 2.766 . 0 0 "[ . 1 . 2]" 1
10 1 11 LEU HB2 2 8 VAL QG . . 3.290 2.393 2.154 2.698 . 0 0 "[ . 1 . 2]" 1
11 1 11 LEU HB3 2 8 VAL HB . . 3.490 2.098 1.805 2.489 . 0 0 "[ . 1 . 2]" 1
12 1 11 LEU HB2 2 8 VAL HB . . 3.850 2.923 2.562 3.318 . 0 0 "[ . 1 . 2]" 1
13 1 52 GLN HG3 2 30 LEU QD . . 4.430 3.185 1.986 4.114 . 0 0 "[ . 1 . 2]" 1
14 1 52 GLN HG2 2 30 LEU QD . . 4.430 3.804 3.233 4.243 . 0 0 "[ . 1 . 2]" 1
15 1 52 GLN HB2 2 30 LEU QD . . 3.980 2.248 1.745 3.190 . 0 0 "[ . 1 . 2]" 1
16 1 52 GLN HB3 2 30 LEU QD . . 3.980 2.613 2.274 3.238 . 0 0 "[ . 1 . 2]" 1
17 1 47 ILE HG12 2 26 LEU MD1 . . 5.500 4.210 3.165 4.916 . 0 0 "[ . 1 . 2]" 1
18 1 47 ILE HG12 2 30 LEU QD . . 4.860 4.159 2.907 4.976 0.116 19 0 "[ . 1 . 2]" 1
19 1 47 ILE HG13 2 26 LEU MD1 . . 5.500 4.022 3.650 5.168 . 0 0 "[ . 1 . 2]" 1
20 1 47 ILE HG12 2 26 LEU MD2 . . 5.500 4.162 3.624 5.206 . 0 0 "[ . 1 . 2]" 1
21 1 47 ILE HG13 2 26 LEU MD2 . . 5.500 4.410 3.541 4.804 . 0 0 "[ . 1 . 2]" 1
22 1 11 LEU QD 2 8 VAL QG . . 2.870 2.284 2.136 2.394 . 0 0 "[ . 1 . 2]" 1
23 1 11 LEU QD 2 22 ILE MD . . 2.910 2.130 2.011 2.317 . 0 0 "[ . 1 . 2]" 1
24 1 11 LEU QD 2 22 ILE HG13 . . 3.120 2.256 2.012 2.457 . 0 0 "[ . 1 . 2]" 1
25 1 11 LEU QD 2 22 ILE HB . . 3.870 3.887 3.541 4.060 0.190 3 0 "[ . 1 . 2]" 1
26 1 11 LEU QD 2 8 VAL HB . . 2.950 2.047 1.887 2.226 . 0 0 "[ . 1 . 2]" 1
27 1 11 LEU QD 2 19 GLU QG . . 3.990 4.103 3.689 4.613 0.623 2 3 "[ + - * 1 . 2]" 1
28 1 11 LEU QD 2 11 PRO HD3 . . 3.010 2.146 1.951 2.627 . 0 0 "[ . 1 . 2]" 1
29 1 11 LEU QD 2 11 PRO HD2 . . 3.530 3.272 3.005 3.861 0.331 6 0 "[ . 1 . 2]" 1
30 1 11 LEU QD 2 8 VAL HA . . 4.710 4.025 3.862 4.157 . 0 0 "[ . 1 . 2]" 1
31 1 11 LEU QD 2 9 ASP H . . 3.650 2.617 2.325 3.268 . 0 0 "[ . 1 . 2]" 1
32 1 11 LEU QD 2 17 ILE MD . . 5.390 4.861 4.667 5.040 . 0 0 "[ . 1 . 2]" 1
33 1 11 LEU QD 2 22 ILE MG . . 4.000 2.461 2.158 2.716 . 0 0 "[ . 1 . 2]" 1
34 1 11 LEU QD 2 9 ASP QB . . 4.080 2.929 2.635 3.166 . 0 0 "[ . 1 . 2]" 1
35 1 11 LEU QD 2 10 CYS QB . . 5.500 4.672 4.591 4.810 . 0 0 "[ . 1 . 2]" 1
36 1 11 LEU QD 2 10 CYS H . . 4.940 4.405 4.314 4.522 . 0 0 "[ . 1 . 2]" 1
37 1 11 LEU QD 2 12 VAL H . . 5.500 5.290 5.090 5.594 0.094 6 0 "[ . 1 . 2]" 1
38 1 12 THR MG 2 19 GLU QG . . 5.500 5.306 4.602 5.713 0.213 5 0 "[ . 1 . 2]" 1
39 1 73 VAL QG 2 22 ILE H . . 5.500 5.256 5.069 5.491 . 0 0 "[ . 1 . 2]" 1
40 1 73 VAL QG 2 11 PRO HD3 . . 3.720 2.904 2.476 3.251 . 0 0 "[ . 1 . 2]" 1
41 1 73 VAL QG 2 11 PRO HD2 . . 3.900 2.982 2.850 3.161 . 0 0 "[ . 1 . 2]" 1
42 1 73 VAL QG 2 23 ASN HA . . 3.990 3.127 2.701 3.549 . 0 0 "[ . 1 . 2]" 1
43 1 73 VAL QG 2 22 ILE HB . . 4.500 4.329 4.231 4.489 . 0 0 "[ . 1 . 2]" 1
44 1 73 VAL QG 2 22 ILE HG13 . . 3.860 3.551 3.418 3.872 0.012 11 0 "[ . 1 . 2]" 1
45 1 47 ILE MD 2 26 LEU HB3 . . 3.960 3.117 2.522 4.707 0.747 6 3 "[ .+ - . *]" 1
46 1 47 ILE MD 2 26 LEU HG . . 4.260 3.799 1.844 4.193 . 0 0 "[ . 1 . 2]" 1
47 1 47 ILE MD 2 30 LEU QB . . 4.500 3.705 2.623 4.002 . 0 0 "[ . 1 . 2]" 1
48 1 47 ILE MD 2 12 VAL H . . 5.500 4.531 3.853 5.180 . 0 0 "[ . 1 . 2]" 1
49 1 47 ILE MD 2 26 LEU H . . 5.500 5.542 5.278 6.216 0.716 6 3 "[ .+ - . *]" 1
50 1 47 ILE MD 2 11 PRO HD2 . . 4.410 3.476 2.950 4.003 . 0 0 "[ . 1 . 2]" 1
51 1 47 ILE MD 2 12 VAL HB . . 5.500 5.175 4.483 5.761 0.261 14 0 "[ . 1 . 2]" 1
52 1 12 THR HA 2 8 VAL QG . . 4.180 3.482 3.033 3.821 . 0 0 "[ . 1 . 2]" 1
53 1 11 LEU HA 2 8 VAL HB . . 5.500 4.528 4.181 4.942 . 0 0 "[ . 1 . 2]" 1
54 1 11 LEU HA 2 8 VAL QG . . 4.190 4.175 3.899 4.457 0.267 17 0 "[ . 1 . 2]" 1
55 1 73 VAL HB 2 22 ILE MG . . 4.500 4.553 4.439 4.684 0.184 12 0 "[ . 1 . 2]" 1
56 1 11 LEU HG 2 8 VAL QG . . 4.290 4.018 3.833 4.161 . 0 0 "[ . 1 . 2]" 1
57 1 11 LEU QD 2 8 VAL H . . 5.280 4.891 4.746 5.005 . 0 0 "[ . 1 . 2]" 1
58 1 73 VAL QG 2 22 ILE MG . . 2.530 2.060 1.924 2.169 . 0 0 "[ . 1 . 2]" 1
59 1 73 VAL QG 2 23 ASN H . . 4.490 4.037 3.757 4.360 . 0 0 "[ . 1 . 2]" 1
60 1 50 GLY HA2 2 12 VAL HA . . 4.040 2.552 2.014 3.183 . 0 0 "[ . 1 . 2]" 1
61 1 45 ARG HD2 2 26 LEU HB3 . . 5.310 4.891 4.545 5.489 0.179 6 0 "[ . 1 . 2]" 1
62 1 45 ARG HD3 2 26 LEU HB3 . . 5.170 3.554 2.945 4.396 . 0 0 "[ . 1 . 2]" 1
63 1 11 LEU HB2 2 22 ILE MG . . 5.170 4.766 4.426 5.010 . 0 0 "[ . 1 . 2]" 1
64 1 11 LEU HB3 2 22 ILE MG . . 5.160 4.967 4.526 5.266 0.106 17 0 "[ . 1 . 2]" 1
65 1 73 VAL QG 2 17 ILE MD . . 5.500 5.164 5.037 5.300 . 0 0 "[ . 1 . 2]" 1
66 1 47 ILE MG 2 11 PRO QB . . 4.090 2.921 2.129 3.464 . 0 0 "[ . 1 . 2]" 1
67 1 47 ILE MD 2 11 PRO QB . . 5.500 3.843 3.071 4.386 . 0 0 "[ . 1 . 2]" 1
68 1 11 LEU QD 2 11 PRO QB . . 4.230 2.940 2.543 3.641 . 0 0 "[ . 1 . 2]" 1
69 1 73 VAL QG 2 22 ILE HG12 . . 5.060 4.280 4.034 4.858 . 0 0 "[ . 1 . 2]" 1
70 1 47 ILE MD 2 30 LEU QD . . 3.960 3.557 2.466 4.242 0.282 3 0 "[ . 1 . 2]" 1
71 1 12 THR MG 2 8 VAL QG . . 3.510 2.832 2.458 3.370 . 0 0 "[ . 1 . 2]" 1
72 1 50 GLY HA2 2 12 VAL MG2 . . 3.930 2.224 1.780 2.581 . 0 0 "[ . 1 . 2]" 1
73 1 45 ARG HD3 2 26 LEU MD2 . . 5.140 3.767 1.780 4.615 . 0 0 "[ . 1 . 2]" 1
74 1 37 GLU HB2 1 38 GLY HA3 . . 5.450 5.185 5.108 5.288 . 0 0 "[ . 1 . 2]" 1
75 1 43 GLN QG 1 77 ARG HA . . 4.480 4.504 4.231 4.887 0.407 16 0 "[ . 1 . 2]" 1
76 1 77 ARG HB3 1 78 GLY H . . 4.590 3.740 3.196 4.239 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU HA 1 11 LEU HG . . 3.510 3.256 3.114 3.358 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU HA 1 11 LEU QD . . 2.560 2.138 2.057 2.220 . 0 0 "[ . 1 . 2]" 1
79 1 75 ARG H 1 76 LEU HA . . 5.410 4.218 3.846 4.701 . 0 0 "[ . 1 . 2]" 1
80 1 43 GLN QE 1 76 LEU HA . . 4.380 4.740 4.489 4.867 0.487 17 0 "[ . 1 . 2]" 1
81 1 43 GLN QG 1 76 LEU HA . . 3.420 2.219 1.926 2.528 . 0 0 "[ . 1 . 2]" 1
82 1 76 LEU HA 1 76 LEU MD1 . . 3.950 2.184 2.014 3.896 . 0 0 "[ . 1 . 2]" 1
83 1 76 LEU HA 1 76 LEU MD2 . . 3.950 2.718 2.023 3.300 . 0 0 "[ . 1 . 2]" 1
84 1 76 LEU HB3 1 77 ARG H . . 4.700 4.385 3.750 4.477 . 0 0 "[ . 1 . 2]" 1
85 1 76 LEU HB3 1 78 GLY H . . 5.130 5.096 4.416 5.880 0.750 10 5 "[ * . +* .- *]" 1
86 1 76 LEU HB2 1 77 ARG H . . 4.750 4.333 4.158 4.521 . 0 0 "[ . 1 . 2]" 1
87 1 76 LEU H 1 76 LEU HB2 . . 3.530 3.323 2.493 3.545 0.015 15 0 "[ . 1 . 2]" 1
88 1 76 LEU HA 1 76 LEU HG . . 3.820 3.722 3.123 3.803 . 0 0 "[ . 1 . 2]" 1
89 1 34 GLN QE 1 41 PRO HG2 . . 4.970 4.171 4.026 4.365 . 0 0 "[ . 1 . 2]" 1
90 1 57 ARG HG3 1 58 THR H . . 4.840 4.743 4.688 4.847 0.007 2 0 "[ . 1 . 2]" 1
91 1 43 GLN QG 1 76 LEU MD2 . . 4.150 3.555 2.970 4.307 0.157 15 0 "[ . 1 . 2]" 1
92 1 73 VAL HA 1 74 LEU MD1 . . 5.500 5.204 4.994 5.492 . 0 0 "[ . 1 . 2]" 1
93 1 74 LEU HA 1 75 ARG HA . . 4.550 4.495 4.447 4.559 0.009 19 0 "[ . 1 . 2]" 1
94 1 75 ARG HA 1 75 ARG QG . . 2.760 2.525 2.421 2.665 . 0 0 "[ . 1 . 2]" 1
95 1 73 VAL QG 1 75 ARG HA . . 4.550 4.096 3.376 4.439 . 0 0 "[ . 1 . 2]" 1
96 1 75 ARG H 1 75 ARG HB3 . . 4.100 3.755 3.598 3.867 . 0 0 "[ . 1 . 2]" 1
97 1 43 GLN HA 1 75 ARG HB3 . . 4.100 3.601 3.485 3.787 . 0 0 "[ . 1 . 2]" 1
98 1 75 ARG H 1 75 ARG QG . . 3.810 2.846 2.067 3.091 . 0 0 "[ . 1 . 2]" 1
99 1 75 ARG QG 1 76 LEU H . . 4.260 4.072 3.765 4.331 0.071 19 0 "[ . 1 . 2]" 1
100 1 74 LEU HA 1 75 ARG QG . . 4.390 3.697 3.201 4.094 . 0 0 "[ . 1 . 2]" 1
101 1 43 GLN HA 1 75 ARG QG . . 3.890 3.428 3.049 3.964 0.074 3 0 "[ . 1 . 2]" 1
102 1 43 GLN QB 1 75 ARG QG . . 4.860 4.554 4.280 4.754 . 0 0 "[ . 1 . 2]" 1
103 1 43 GLN QG 1 75 ARG QG . . 5.130 4.687 4.288 4.971 . 0 0 "[ . 1 . 2]" 1
104 1 73 VAL QG 1 75 ARG QG . . 4.240 2.985 2.643 3.471 . 0 0 "[ . 1 . 2]" 1
105 1 75 ARG HA 1 75 ARG HD2 . . 5.420 4.892 4.505 5.066 . 0 0 "[ . 1 . 2]" 1
106 1 75 ARG HA 1 75 ARG HD3 . . 5.420 4.731 4.318 4.813 . 0 0 "[ . 1 . 2]" 1
107 1 45 ARG HA 1 72 LEU HA . . 5.500 5.519 5.349 5.697 0.197 11 0 "[ . 1 . 2]" 1
108 1 44 GLN HA 1 74 LEU HA . . 3.600 2.762 2.602 2.944 . 0 0 "[ . 1 . 2]" 1
109 1 43 GLN QB 1 74 LEU HA . . 4.200 4.156 3.724 4.453 0.253 1 0 "[ . 1 . 2]" 1
110 1 44 GLN HB2 1 74 LEU HA . . 4.860 4.687 4.333 4.881 0.021 7 0 "[ . 1 . 2]" 1
111 1 39 ILE MG 1 74 LEU HA . . 3.790 3.551 3.288 4.251 0.461 14 0 "[ . 1 . 2]" 1
112 1 72 LEU HA 1 72 LEU MD2 . . 2.880 2.066 1.956 2.136 . 0 0 "[ . 1 . 2]" 1
113 1 74 LEU QB 1 75 ARG H . . 4.000 2.923 2.637 3.643 . 0 0 "[ . 1 . 2]" 1
114 1 74 LEU H 1 74 LEU QB . . 3.800 2.403 2.284 2.506 . 0 0 "[ . 1 . 2]" 1
115 1 44 GLN HA 1 74 LEU QB . . 4.560 4.768 4.658 4.903 0.343 7 0 "[ . 1 . 2]" 1
116 1 74 LEU QB 1 74 LEU MD2 . . 3.250 2.373 2.354 2.408 . 0 0 "[ . 1 . 2]" 1
117 1 6 ILE HB 1 64 ILE MG . . 4.250 3.709 3.550 4.008 . 0 0 "[ . 1 . 2]" 1
118 1 74 LEU HG 1 75 ARG H . . 5.230 5.078 4.946 5.279 0.049 7 0 "[ . 1 . 2]" 1
119 1 74 LEU HA 1 74 LEU HG . . 3.700 3.155 3.073 3.230 . 0 0 "[ . 1 . 2]" 1
120 1 74 LEU HA 1 74 LEU MD2 . . 2.760 2.080 1.996 2.182 . 0 0 "[ . 1 . 2]" 1
121 1 44 GLN HA 1 74 LEU MD2 . . 3.190 2.950 2.721 3.219 0.029 16 0 "[ . 1 . 2]" 1
122 1 74 LEU H 1 74 LEU MD1 . . 3.620 3.751 3.664 3.875 0.255 4 0 "[ . 1 . 2]" 1
123 1 74 LEU QB 1 74 LEU MD1 . . 2.750 2.148 2.128 2.164 . 0 0 "[ . 1 . 2]" 1
124 1 72 LEU HA 1 73 VAL HA . . 4.870 4.441 4.415 4.474 . 0 0 "[ . 1 . 2]" 1
125 1 73 VAL HA 1 74 LEU HA . . 5.220 4.443 4.407 4.475 . 0 0 "[ . 1 . 2]" 1
126 1 11 LEU HG 1 73 VAL HA . . 3.900 2.163 1.966 2.403 . 0 0 "[ . 1 . 2]" 1
127 1 73 VAL HA 1 74 LEU HG . . 3.560 4.029 3.716 4.401 0.841 13 9 "[* * -* 1* + * ** 2]" 1
128 1 10 THR MG 1 73 VAL HA . . 4.860 4.930 4.702 5.170 0.310 6 0 "[ . 1 . 2]" 1
129 1 11 LEU QD 1 73 VAL HA . . 3.560 2.338 2.049 2.590 . 0 0 "[ . 1 . 2]" 1
130 1 73 VAL HA 1 73 VAL QG . . 3.030 2.177 2.162 2.194 . 0 0 "[ . 1 . 2]" 1
131 1 73 VAL HA 1 74 LEU MD2 . . 4.500 4.712 4.431 4.929 0.429 6 0 "[ . 1 . 2]" 1
132 1 72 LEU MD1 1 73 VAL HA . . 3.960 3.594 3.473 3.769 . 0 0 "[ . 1 . 2]" 1
133 1 72 LEU HA 1 73 VAL HB . . 4.730 4.547 4.397 4.649 . 0 0 "[ . 1 . 2]" 1
134 1 45 ARG HD2 1 73 VAL HB . . 4.640 3.951 3.581 4.361 . 0 0 "[ . 1 . 2]" 1
135 1 45 ARG QB 1 73 VAL HB . . 3.590 1.753 1.506 1.946 . 0 0 "[ . 1 . 2]" 1
136 1 47 ILE MD 1 73 VAL HB . . 4.060 3.542 3.159 3.875 . 0 0 "[ . 1 . 2]" 1
137 1 73 VAL H 1 73 VAL QG . . 3.190 2.556 2.408 2.634 . 0 0 "[ . 1 . 2]" 1
138 1 72 LEU HA 1 73 VAL QG . . 4.310 3.536 3.348 3.802 . 0 0 "[ . 1 . 2]" 1
139 1 73 VAL QG 1 74 LEU HA . . 4.540 3.965 3.822 4.084 . 0 0 "[ . 1 . 2]" 1
140 1 45 ARG HD3 1 73 VAL QG . . 4.140 3.126 2.690 3.498 . 0 0 "[ . 1 . 2]" 1
141 1 45 ARG HD2 1 73 VAL QG . . 4.660 3.650 3.147 3.928 . 0 0 "[ . 1 . 2]" 1
142 1 71 HIS HB3 1 73 VAL QG . . 4.680 3.638 3.340 3.851 . 0 0 "[ . 1 . 2]" 1
143 1 11 LEU HG 1 73 VAL QG . . 3.090 2.772 2.433 3.135 0.045 6 0 "[ . 1 . 2]" 1
144 1 11 LEU QD 1 73 VAL QG . . 2.660 1.668 1.592 1.779 . 0 0 "[ . 1 . 2]" 1
145 1 72 LEU HA 1 73 VAL H . . 3.110 2.148 2.119 2.169 . 0 0 "[ . 1 . 2]" 1
146 1 43 GLN HA 1 74 LEU HA . . 5.340 5.075 4.701 5.345 0.005 3 0 "[ . 1 . 2]" 1
147 1 72 LEU HA 1 72 LEU HG . . 3.870 3.799 3.754 3.834 . 0 0 "[ . 1 . 2]" 1
148 1 72 LEU HA 1 72 LEU MD1 . . 3.190 3.064 3.009 3.123 . 0 0 "[ . 1 . 2]" 1
149 1 47 ILE H 1 72 LEU HB2 . . 5.500 5.265 4.900 5.538 0.038 7 0 "[ . 1 . 2]" 1
150 1 46 LEU HA 1 72 LEU HB2 . . 5.500 4.788 4.397 5.145 . 0 0 "[ . 1 . 2]" 1
151 1 72 LEU HB2 1 72 LEU MD1 . . 3.500 3.245 3.228 3.259 . 0 0 "[ . 1 . 2]" 1
152 1 33 ILE MD 1 72 LEU HB2 . . 5.430 4.813 4.020 5.394 . 0 0 "[ . 1 . 2]" 1
153 1 72 LEU HG 1 73 VAL H . . 5.420 4.799 4.586 5.015 . 0 0 "[ . 1 . 2]" 1
154 1 47 ILE HG12 1 50 GLY H . . 5.500 5.751 5.578 5.918 0.418 10 0 "[ . 1 . 2]" 1
155 1 72 LEU H 1 72 LEU HG . . 5.500 4.963 4.748 5.052 . 0 0 "[ . 1 . 2]" 1
156 1 47 ILE HG12 1 50 GLY HA2 . . 5.120 5.436 5.184 5.759 0.639 5 2 "[ + 1- . 2]" 1
157 1 33 ILE MD 1 72 LEU HG . . 4.100 4.149 3.060 4.818 0.718 19 2 "[ . 1 -. +2]" 1
158 1 70 LEU H 1 71 HIS HA . . 4.940 4.860 4.711 4.975 0.035 15 0 "[ . 1 . 2]" 1
159 1 71 HIS HA 1 72 LEU HA . . 5.330 4.477 4.440 4.505 . 0 0 "[ . 1 . 2]" 1
160 1 70 LEU HA 1 71 HIS HA . . 4.600 4.369 4.302 4.436 . 0 0 "[ . 1 . 2]" 1
161 1 9 LYS HB3 1 71 HIS HA . . 3.630 3.189 2.820 3.565 . 0 0 "[ . 1 . 2]" 1
162 1 9 LYS HB2 1 71 HIS HA . . 4.880 4.590 4.252 5.001 0.121 16 0 "[ . 1 . 2]" 1
163 1 71 HIS HA 1 72 LEU HB3 . . 5.010 4.572 4.490 4.658 . 0 0 "[ . 1 . 2]" 1
164 1 71 HIS HA 1 72 LEU HB2 . . 4.180 4.137 3.986 4.323 0.143 14 0 "[ . 1 . 2]" 1
165 1 70 LEU HA 1 71 HIS H . . 3.180 2.483 2.220 2.600 . 0 0 "[ . 1 . 2]" 1
166 1 70 LEU HA 1 70 LEU QD . . 3.610 3.422 3.396 3.452 . 0 0 "[ . 1 . 2]" 1
167 1 70 LEU HB2 1 71 HIS HA . . 4.830 4.701 4.530 4.937 0.107 14 0 "[ . 1 . 2]" 1
168 1 48 PHE HA 1 70 LEU HB2 . . 4.150 2.864 2.518 3.359 . 0 0 "[ . 1 . 2]" 1
169 1 47 ILE HA 1 70 LEU HB2 . . 5.270 5.139 4.826 5.313 0.043 19 0 "[ . 1 . 2]" 1
170 1 8 VAL HA 1 70 LEU HB3 . . 5.130 5.042 4.900 5.200 0.070 2 0 "[ . 1 . 2]" 1
171 1 46 LEU MD1 1 70 LEU HB2 . . 4.350 4.230 3.891 4.430 0.080 16 0 "[ . 1 . 2]" 1
172 1 64 ILE HG13 1 70 LEU HB3 . . 5.500 5.656 4.972 6.020 0.520 20 1 "[ . 1 . +]" 1
173 1 9 LYS H 1 70 LEU HG . . 4.840 3.761 3.549 4.098 . 0 0 "[ . 1 . 2]" 1
174 1 70 LEU HA 1 70 LEU HG . . 3.850 3.820 3.780 3.873 0.023 10 0 "[ . 1 . 2]" 1
175 1 8 VAL MG2 1 70 LEU HG . . 3.680 2.122 1.913 2.288 . 0 0 "[ . 1 . 2]" 1
176 1 69 THR MG 1 70 LEU HG . . 4.990 4.871 4.637 5.065 0.075 14 0 "[ . 1 . 2]" 1
177 1 9 LYS H 1 70 LEU QD . . 3.820 4.169 3.999 4.300 0.480 9 0 "[ . 1 . 2]" 1
178 1 70 LEU H 1 70 LEU QD . . 3.390 2.045 1.912 2.226 . 0 0 "[ . 1 . 2]" 1
179 1 7 PHE H 1 70 LEU QD . . 3.980 3.349 3.207 3.547 . 0 0 "[ . 1 . 2]" 1
180 1 68 SER HB2 1 70 LEU QD . . 4.360 3.425 3.046 3.762 . 0 0 "[ . 1 . 2]" 1
181 1 68 SER HB3 1 70 LEU QD . . 4.360 3.779 3.497 4.119 . 0 0 "[ . 1 . 2]" 1
182 1 48 PHE HB2 1 70 LEU QD . . 3.460 2.727 2.415 3.119 . 0 0 "[ . 1 . 2]" 1
183 1 70 LEU HB3 1 70 LEU QD . . 2.830 2.183 2.173 2.196 . 0 0 "[ . 1 . 2]" 1
184 1 64 ILE HG12 1 70 LEU QD . . 4.180 3.482 3.095 3.710 . 0 0 "[ . 1 . 2]" 1
185 1 70 LEU QD 1 71 HIS H . . 3.740 3.680 3.469 4.203 0.463 14 0 "[ . 1 . 2]" 1
186 1 53 LEU H 1 70 LEU QD . . 5.110 5.402 5.146 5.603 0.493 10 0 "[ . 1 . 2]" 1
187 1 48 PHE HA 1 70 LEU QD . . 3.880 4.019 3.684 4.557 0.677 3 1 "[ + . 1 . 2]" 1
188 1 48 PHE HB3 1 70 LEU QD . . 3.890 3.929 3.712 4.277 0.387 17 0 "[ . 1 . 2]" 1
189 1 70 LEU HB2 1 70 LEU QD . . 3.130 2.214 2.203 2.243 . 0 0 "[ . 1 . 2]" 1
190 1 53 LEU HG 1 70 LEU QD . . 3.470 3.624 3.504 3.762 0.292 3 0 "[ . 1 . 2]" 1
191 1 9 LYS H 1 69 THR HA . . 4.430 4.846 4.583 5.101 0.671 3 7 "[ + ** *1* . -*2]" 1
192 1 69 THR HA 1 70 LEU HA . . 4.570 4.466 4.440 4.493 . 0 0 "[ . 1 . 2]" 1
193 1 8 VAL HA 1 69 THR HA . . 4.490 4.184 3.969 4.366 . 0 0 "[ . 1 . 2]" 1
194 1 68 SER HB2 1 69 THR HA . . 5.320 5.021 4.856 5.104 . 0 0 "[ . 1 . 2]" 1
195 1 68 SER HB3 1 69 THR HA . . 5.320 4.804 4.685 4.892 . 0 0 "[ . 1 . 2]" 1
196 1 7 PHE HB2 1 69 THR HA . . 4.000 2.485 2.227 2.861 . 0 0 "[ . 1 . 2]" 1
197 1 7 PHE HB3 1 69 THR HA . . 4.000 3.782 3.510 4.083 0.083 9 0 "[ . 1 . 2]" 1
198 1 69 THR HA 1 70 LEU HB3 . . 4.500 4.755 4.534 4.865 0.365 11 0 "[ . 1 . 2]" 1
199 1 69 THR HA 1 70 LEU QD . . 3.750 2.722 2.506 2.880 . 0 0 "[ . 1 . 2]" 1
200 1 68 SER HA 1 69 THR HB . . 4.990 4.731 4.677 4.806 . 0 0 "[ . 1 . 2]" 1
201 1 69 THR HB 1 70 LEU QD . . 5.010 4.943 4.769 5.071 0.061 15 0 "[ . 1 . 2]" 1
202 1 9 LYS HB2 1 69 THR HB . . 5.500 5.525 5.215 5.963 0.463 7 0 "[ . 1 . 2]" 1
203 1 69 THR MG 1 70 LEU H . . 3.160 2.680 2.345 2.954 . 0 0 "[ . 1 . 2]" 1
204 1 9 LYS H 1 69 THR MG . . 3.490 3.536 3.380 3.643 0.153 8 0 "[ . 1 . 2]" 1
205 1 7 PHE H 1 69 THR MG . . 5.000 4.713 4.295 5.020 0.020 4 0 "[ . 1 . 2]" 1
206 1 7 PHE HA 1 69 THR MG . . 5.090 4.736 4.286 5.075 . 0 0 "[ . 1 . 2]" 1
207 1 69 THR HA 1 69 THR MG . . 2.990 2.398 2.368 2.428 . 0 0 "[ . 1 . 2]" 1
208 1 69 THR MG 1 70 LEU HA . . 4.120 3.726 3.582 3.999 . 0 0 "[ . 1 . 2]" 1
209 1 7 PHE HB3 1 69 THR MG . . 4.090 3.081 2.703 3.526 . 0 0 "[ . 1 . 2]" 1
210 1 7 PHE HB2 1 69 THR MG . . 4.090 2.899 2.379 3.266 . 0 0 "[ . 1 . 2]" 1
211 1 9 LYS QD 1 69 THR MG . . 3.090 3.198 2.792 3.580 0.490 10 0 "[ . 1 . 2]" 1
212 1 9 LYS HB2 1 69 THR MG . . 3.020 2.589 2.356 2.870 . 0 0 "[ . 1 . 2]" 1
213 1 60 SER HA 1 64 ILE H . . 3.460 3.088 2.825 3.348 . 0 0 "[ . 1 . 2]" 1
214 1 60 SER HA 1 64 ILE HA . . 4.490 4.968 4.722 5.104 0.614 4 11 "[* +**- 1* **.** *]" 1
215 1 59 LEU HB3 1 60 SER HA . . 4.270 4.244 4.142 4.328 0.058 13 0 "[ . 1 . 2]" 1
216 1 22 PRO HB3 1 60 SER HA . . 4.530 4.396 4.000 4.584 0.054 12 0 "[ . 1 . 2]" 1
217 1 59 LEU QD 1 60 SER HA . . 5.370 5.107 5.054 5.166 . 0 0 "[ . 1 . 2]" 1
218 1 60 SER HA 1 64 ILE MG . . 5.240 5.106 4.954 5.250 0.010 11 0 "[ . 1 . 2]" 1
219 1 60 SER HA 1 64 ILE MD . . 5.500 5.218 5.095 5.313 . 0 0 "[ . 1 . 2]" 1
220 1 60 SER HA 1 64 ILE HB . . 4.370 4.091 3.947 4.232 . 0 0 "[ . 1 . 2]" 1
221 1 59 LEU HB2 1 60 SER HA . . 4.560 4.300 4.267 4.440 . 0 0 "[ . 1 . 2]" 1
222 1 60 SER HA 1 65 GLN QB . . 5.500 4.741 4.369 4.962 . 0 0 "[ . 1 . 2]" 1
223 1 22 PRO HB2 1 60 SER HA . . 4.250 3.804 3.520 4.215 . 0 0 "[ . 1 . 2]" 1
224 1 7 PHE H 1 67 GLU HA . . 4.390 3.741 3.232 4.118 . 0 0 "[ . 1 . 2]" 1
225 1 6 ILE HA 1 67 GLU HA . . 3.680 2.546 2.022 3.029 . 0 0 "[ . 1 . 2]" 1
226 1 66 LYS HB2 1 67 GLU HA . . 4.870 4.661 4.559 4.818 . 0 0 "[ . 1 . 2]" 1
227 1 5 GLN HB2 1 67 GLU HA . . 5.500 4.905 4.336 5.293 . 0 0 "[ . 1 . 2]" 1
228 1 6 ILE HB 1 67 GLU HA . . 5.500 4.785 4.259 5.247 . 0 0 "[ . 1 . 2]" 1
229 1 5 GLN HB3 1 67 GLU HA . . 4.710 4.835 4.428 5.106 0.396 14 0 "[ . 1 . 2]" 1
230 1 67 GLU HA 1 67 GLU HG2 . . 3.730 2.865 2.555 3.284 . 0 0 "[ . 1 . 2]" 1
231 1 67 GLU HA 1 67 GLU HG3 . . 3.730 3.357 2.908 3.867 0.137 19 0 "[ . 1 . 2]" 1
232 1 6 ILE MG 1 67 GLU HA . . 4.260 3.646 3.327 3.998 . 0 0 "[ . 1 . 2]" 1
233 1 66 LYS HG3 1 67 GLU HB3 . . 5.170 5.147 4.851 5.390 0.220 15 0 "[ . 1 . 2]" 1
234 1 66 LYS HA 1 67 GLU H . . 2.880 2.178 2.102 2.215 . 0 0 "[ . 1 . 2]" 1
235 1 7 PHE H 1 66 LYS HA . . 5.500 5.961 5.633 6.198 0.698 10 12 "[****.** *+ * * - *]" 1
236 1 5 GLN HA 1 66 LYS HA . . 5.480 5.624 5.414 5.913 0.433 3 0 "[ . 1 . 2]" 1
237 1 65 GLN HA 1 66 LYS HA . . 4.350 4.423 4.352 4.456 0.106 10 0 "[ . 1 . 2]" 1
238 1 66 LYS HA 1 66 LYS HE2 . . 5.150 4.946 4.256 5.438 0.288 16 0 "[ . 1 . 2]" 1
239 1 66 LYS HA 1 66 LYS HE3 . . 5.300 4.960 4.328 5.840 0.540 10 4 "[ -* .* + . 2]" 1
240 1 66 LYS HA 1 66 LYS HB2 . . 2.840 2.463 2.398 2.512 . 0 0 "[ . 1 . 2]" 1
241 1 66 LYS HA 1 66 LYS HB3 . . 2.820 2.457 2.417 2.520 . 0 0 "[ . 1 . 2]" 1
242 1 66 LYS HA 1 67 GLU HB2 . . 4.990 4.899 4.799 5.034 0.044 19 0 "[ . 1 . 2]" 1
243 1 65 GLN HG3 1 66 LYS HA . . 4.440 4.502 4.412 4.578 0.138 2 0 "[ . 1 . 2]" 1
244 1 66 LYS HA 1 66 LYS HG2 . . 4.200 3.819 3.765 3.916 . 0 0 "[ . 1 . 2]" 1
245 1 59 LEU QD 1 66 LYS HA . . 4.670 4.304 3.982 4.673 0.003 18 0 "[ . 1 . 2]" 1
246 1 6 ILE MG 1 66 LYS HA . . 3.360 2.203 2.015 2.537 . 0 0 "[ . 1 . 2]" 1
247 1 20 VAL QG 1 66 LYS HA . . 5.500 5.673 5.488 5.925 0.425 15 0 "[ . 1 . 2]" 1
248 1 64 ILE MG 1 66 LYS HA . . 5.500 4.730 4.474 5.038 . 0 0 "[ . 1 . 2]" 1
249 1 5 GLN H 1 66 LYS HB2 . . 3.740 3.466 3.111 3.761 0.021 6 0 "[ . 1 . 2]" 1
250 1 4 MET HA 1 66 LYS HB3 . . 5.150 4.856 4.564 5.190 0.040 3 0 "[ . 1 . 2]" 1
251 1 57 ARG QB 1 58 THR HB . . 5.500 5.454 5.412 5.500 0.000 7 0 "[ . 1 . 2]" 1
252 1 57 ARG QB 1 61 ASP HB3 . . 4.550 2.431 2.280 2.644 . 0 0 "[ . 1 . 2]" 1
253 1 65 GLN QB 1 66 LYS HB3 . . 4.740 4.475 4.278 4.655 . 0 0 "[ . 1 . 2]" 1
254 1 4 MET HG3 1 66 LYS HB3 . . 4.210 2.744 2.361 3.396 . 0 0 "[ . 1 . 2]" 1
255 1 4 MET HG3 1 66 LYS HB2 . . 4.220 3.904 3.512 4.695 0.475 17 0 "[ . 1 . 2]" 1
256 1 57 ARG QB 1 64 ILE MD . . 5.500 5.477 5.413 5.591 0.091 17 0 "[ . 1 . 2]" 1
257 1 50 GLY HA3 1 51 LYS QG . . 5.500 5.266 4.917 5.510 0.010 19 0 "[ . 1 . 2]" 1
258 1 66 LYS HG3 1 67 GLU HA . . 5.500 5.327 5.040 5.544 0.044 15 0 "[ . 1 . 2]" 1
259 1 66 LYS HE2 1 66 LYS HG3 . . 3.960 2.697 2.521 3.023 . 0 0 "[ . 1 . 2]" 1
260 1 66 LYS HE3 1 66 LYS HG3 . . 3.800 3.370 3.000 3.833 0.033 1 0 "[ . 1 . 2]" 1
261 1 66 LYS HG3 1 67 GLU HB2 . . 4.450 3.580 3.334 3.845 . 0 0 "[ . 1 . 2]" 1
262 1 65 GLN HG3 1 66 LYS HG2 . . 4.340 4.076 3.278 4.511 0.171 19 0 "[ . 1 . 2]" 1
263 1 65 GLN HG3 1 66 LYS HG3 . . 4.680 4.203 3.658 4.631 . 0 0 "[ . 1 . 2]" 1
264 1 66 LYS H 1 66 LYS QD . . 3.950 3.847 3.667 4.124 0.174 14 0 "[ . 1 . 2]" 1
265 1 66 LYS HA 1 66 LYS QD . . 4.540 4.584 4.513 4.638 0.098 20 0 "[ . 1 . 2]" 1
266 1 4 MET HG3 1 66 LYS QD . . 4.020 2.987 2.266 4.000 . 0 0 "[ . 1 . 2]" 1
267 1 66 LYS HB2 1 66 LYS QD . . 2.910 2.953 2.828 3.079 0.169 12 0 "[ . 1 . 2]" 1
268 1 66 LYS HB3 1 66 LYS QD . . 2.800 2.519 2.410 2.652 . 0 0 "[ . 1 . 2]" 1
269 1 66 LYS QD 1 67 GLU HB2 . . 5.470 5.388 5.091 5.682 0.212 19 0 "[ . 1 . 2]" 1
270 1 66 LYS QD 1 66 LYS HG2 . . 2.710 2.195 2.186 2.201 . 0 0 "[ . 1 . 2]" 1
271 1 66 LYS QD 1 66 LYS HE2 . . 2.670 2.402 2.326 2.490 . 0 0 "[ . 1 . 2]" 1
272 1 66 LYS HB3 1 66 LYS HE3 . . 3.180 3.317 2.835 3.863 0.683 3 7 "[**+ .*** - . 2]" 1
273 1 66 LYS HB2 1 66 LYS HE3 . . 3.460 2.555 1.942 3.505 0.045 10 0 "[ . 1 . 2]" 1
274 1 64 ILE MG 1 65 GLN HA . . 4.020 3.952 3.677 4.271 0.251 3 0 "[ . 1 . 2]" 1
275 1 6 ILE MG 1 65 GLN HA . . 4.400 4.467 4.175 4.737 0.337 3 0 "[ . 1 . 2]" 1
276 1 65 GLN HA 1 66 LYS HG2 . . 4.890 4.692 4.490 5.038 0.148 14 0 "[ . 1 . 2]" 1
277 1 22 PRO HB3 1 65 GLN HA . . 3.740 2.363 1.957 2.813 . 0 0 "[ . 1 . 2]" 1
278 1 65 GLN HA 1 65 GLN HE21 . . 4.990 5.001 4.913 5.042 0.052 7 0 "[ . 1 . 2]" 1
279 1 59 LEU QD 1 65 GLN HA . . 4.910 4.476 4.100 4.784 . 0 0 "[ . 1 . 2]" 1
280 1 65 GLN QB 1 66 LYS H . . 2.910 2.122 2.018 2.232 . 0 0 "[ . 1 . 2]" 1
281 1 64 ILE MG 1 65 GLN QB . . 5.210 4.757 4.535 4.990 . 0 0 "[ . 1 . 2]" 1
282 1 65 GLN HE22 1 65 GLN HG3 . . 3.750 3.500 3.485 3.515 . 0 0 "[ . 1 . 2]" 1
283 1 65 GLN HA 1 65 GLN HG3 . . 3.670 3.747 3.715 3.781 0.111 7 0 "[ . 1 . 2]" 1
284 1 64 ILE HA 1 65 GLN HG3 . . 5.110 5.025 4.840 5.216 0.106 12 0 "[ . 1 . 2]" 1
285 1 63 ASN H 1 64 ILE HA . . 5.400 5.307 5.253 5.345 . 0 0 "[ . 1 . 2]" 1
286 1 63 ASN HA 1 64 ILE HA . . 4.710 4.698 4.614 4.770 0.060 5 0 "[ . 1 . 2]" 1
287 1 64 ILE HA 1 65 GLN HA . . 4.600 4.499 4.474 4.523 . 0 0 "[ . 1 . 2]" 1
288 1 64 ILE HA 1 68 SER HA . . 5.500 5.598 5.390 5.825 0.325 14 0 "[ . 1 . 2]" 1
289 1 64 ILE HA 1 68 SER HB2 . . 4.400 3.466 3.134 3.847 . 0 0 "[ . 1 . 2]" 1
290 1 64 ILE HA 1 68 SER HB3 . . 4.400 3.436 3.200 3.697 . 0 0 "[ . 1 . 2]" 1
291 1 63 ASN HB2 1 64 ILE HA . . 5.180 4.893 4.738 5.060 . 0 0 "[ . 1 . 2]" 1
292 1 64 ILE HA 1 65 GLN HG2 . . 4.420 4.128 3.929 4.286 . 0 0 "[ . 1 . 2]" 1
293 1 64 ILE HA 1 65 GLN QB . . 4.530 4.519 4.384 4.635 0.105 19 0 "[ . 1 . 2]" 1
294 1 64 ILE HA 1 64 ILE HG12 . . 3.450 2.902 2.857 2.943 . 0 0 "[ . 1 . 2]" 1
295 1 59 LEU QD 1 64 ILE HA . . 4.620 4.708 4.614 4.761 0.141 20 0 "[ . 1 . 2]" 1
296 1 64 ILE HA 1 64 ILE MG . . 3.030 2.415 2.386 2.436 . 0 0 "[ . 1 . 2]" 1
297 1 64 ILE HA 1 64 ILE HG13 . . 3.480 3.053 3.012 3.107 . 0 0 "[ . 1 . 2]" 1
298 1 59 LEU H 1 64 ILE HB . . 4.880 4.874 4.803 4.918 0.038 12 0 "[ . 1 . 2]" 1
299 1 63 ASN HA 1 64 ILE HB . . 5.500 5.552 5.420 5.666 0.166 10 0 "[ . 1 . 2]" 1
300 1 62 TYR QB 1 64 ILE HB . . 5.080 3.915 3.819 4.047 . 0 0 "[ . 1 . 2]" 1
301 1 59 LEU HB3 1 64 ILE HB . . 4.340 1.965 1.895 2.092 . 0 0 "[ . 1 . 2]" 1
302 1 59 LEU HG 1 64 ILE HB . . 4.600 4.584 4.509 4.636 0.036 20 0 "[ . 1 . 2]" 1
303 1 59 LEU QD 1 64 ILE HB . . 3.660 2.766 2.663 2.822 . 0 0 "[ . 1 . 2]" 1
304 1 64 ILE HG12 1 65 GLN H . . 5.000 4.895 4.724 5.097 0.097 3 0 "[ . 1 . 2]" 1
305 1 62 TYR QB 1 64 ILE HG13 . . 4.590 2.526 2.356 2.702 . 0 0 "[ . 1 . 2]" 1
306 1 62 TYR QB 1 64 ILE HG12 . . 4.860 3.613 3.467 3.772 . 0 0 "[ . 1 . 2]" 1
307 1 59 LEU QD 1 64 ILE HG12 . . 4.630 4.036 3.966 4.181 . 0 0 "[ . 1 . 2]" 1
308 1 59 LEU QD 1 64 ILE HG13 . . 4.260 4.217 4.139 4.335 0.075 19 0 "[ . 1 . 2]" 1
309 1 64 ILE MG 1 70 LEU H . . 5.320 5.238 4.729 5.694 0.374 6 0 "[ . 1 . 2]" 1
310 1 59 LEU H 1 64 ILE MG . . 5.500 5.474 5.405 5.572 0.072 15 0 "[ . 1 . 2]" 1
311 1 64 ILE H 1 64 ILE MG . . 4.000 3.854 3.828 3.883 . 0 0 "[ . 1 . 2]" 1
312 1 64 ILE MG 1 68 SER HA . . 4.640 4.493 4.425 4.609 . 0 0 "[ . 1 . 2]" 1
313 1 59 LEU HA 1 64 ILE MG . . 3.720 3.748 3.664 3.838 0.118 12 0 "[ . 1 . 2]" 1
314 1 64 ILE MG 1 68 SER HB2 . . 3.310 2.021 1.903 2.139 . 0 0 "[ . 1 . 2]" 1
315 1 64 ILE MG 1 68 SER HB3 . . 3.310 2.648 2.514 2.785 . 0 0 "[ . 1 . 2]" 1
316 1 62 TYR QB 1 64 ILE MG . . 5.360 4.562 4.478 4.639 . 0 0 "[ . 1 . 2]" 1
317 1 64 ILE MG 1 65 GLN HG3 . . 4.760 4.817 4.516 5.016 0.256 11 0 "[ . 1 . 2]" 1
318 1 59 LEU HB3 1 64 ILE MG . . 3.800 2.617 2.522 2.740 . 0 0 "[ . 1 . 2]" 1
319 1 64 ILE MG 1 65 GLN HG2 . . 4.840 4.802 4.566 5.013 0.173 19 0 "[ . 1 . 2]" 1
320 1 59 LEU HG 1 64 ILE MG . . 4.880 4.438 4.391 4.520 . 0 0 "[ . 1 . 2]" 1
321 1 64 ILE MG 1 70 LEU HB3 . . 3.540 3.740 3.202 4.098 0.558 18 1 "[ . 1 . + 2]" 1
322 1 64 ILE HG13 1 64 ILE MG . . 3.290 3.239 3.233 3.245 . 0 0 "[ . 1 . 2]" 1
323 1 59 LEU QD 1 64 ILE MG . . 2.400 1.925 1.875 1.992 . 0 0 "[ . 1 . 2]" 1
324 1 64 ILE HG12 1 64 ILE MG . . 3.160 2.356 2.345 2.370 . 0 0 "[ . 1 . 2]" 1
325 1 26 ILE MD 1 64 ILE MD . . 2.730 2.559 2.423 2.722 . 0 0 "[ . 1 . 2]" 1
326 1 59 LEU QD 1 64 ILE MD . . 2.860 2.222 2.134 2.396 . 0 0 "[ . 1 . 2]" 1
327 1 64 ILE HB 1 64 ILE MD . . 3.060 2.365 2.348 2.376 . 0 0 "[ . 1 . 2]" 1
328 1 59 LEU HG 1 64 ILE MD . . 4.430 4.330 4.204 4.501 0.071 19 0 "[ . 1 . 2]" 1
329 1 64 ILE MD 1 70 LEU HB3 . . 4.630 3.888 3.268 4.305 . 0 0 "[ . 1 . 2]" 1
330 1 26 ILE QG 1 64 ILE MD . . 4.200 4.111 3.991 4.249 0.049 12 0 "[ . 1 . 2]" 1
331 1 59 LEU HB3 1 64 ILE MD . . 4.000 3.367 3.264 3.512 . 0 0 "[ . 1 . 2]" 1
332 1 48 PHE HB3 1 64 ILE MD . . 3.810 2.607 2.432 2.759 . 0 0 "[ . 1 . 2]" 1
333 1 62 TYR QB 1 64 ILE MD . . 3.370 2.063 2.024 2.126 . 0 0 "[ . 1 . 2]" 1
334 1 48 PHE HB2 1 64 ILE MD . . 3.790 2.728 2.526 2.902 . 0 0 "[ . 1 . 2]" 1
335 1 64 ILE HA 1 64 ILE MD . . 4.120 4.018 3.995 4.041 . 0 0 "[ . 1 . 2]" 1
336 1 26 ILE HA 1 64 ILE MD . . 5.180 5.431 5.285 5.648 0.468 12 0 "[ . 1 . 2]" 1
337 1 63 ASN HA 1 64 ILE MD . . 5.360 5.824 5.710 5.923 0.563 5 6 "[ +* * - .* *2]" 1
338 1 63 ASN QD 1 64 ILE MD . . 5.200 5.713 5.573 5.802 0.602 5 13 "[** *+ *- 1** ** ***]" 1
339 1 64 ILE MD 1 65 GLN H . . 5.450 5.416 5.143 5.609 0.159 3 0 "[ . 1 . 2]" 1
340 1 62 TYR H 1 64 ILE MD . . 3.100 3.618 3.573 3.660 0.560 3 16 "[ *+********- *** **2]" 1
341 1 63 ASN H 1 64 ILE MD . . 4.460 4.782 4.704 4.874 0.414 6 0 "[ . 1 . 2]" 1
342 1 53 LEU H 1 64 ILE MD . . 5.380 5.712 5.550 5.927 0.547 10 2 "[ . +- . 2]" 1
343 1 48 PHE H 1 64 ILE MD . . 4.860 4.510 4.327 4.760 . 0 0 "[ . 1 . 2]" 1
344 1 63 ASN HA 1 64 ILE H . . 3.140 3.037 2.898 3.164 0.024 10 0 "[ . 1 . 2]" 1
345 1 63 ASN HA 1 63 ASN QD . . 4.240 3.361 2.760 3.658 . 0 0 "[ . 1 . 2]" 1
346 1 63 ASN HA 1 63 ASN HB3 . . 2.950 2.518 2.484 2.544 . 0 0 "[ . 1 . 2]" 1
347 1 63 ASN HA 1 64 ILE HG13 . . 4.600 4.780 4.663 4.891 0.291 5 0 "[ . 1 . 2]" 1
348 1 61 ASP H 1 62 TYR HA . . 5.390 5.250 5.186 5.280 . 0 0 "[ . 1 . 2]" 1
349 1 62 TYR HA 1 63 ASN QD . . 3.660 2.888 2.795 3.022 . 0 0 "[ . 1 . 2]" 1
350 1 61 ASP HB3 1 62 TYR HA . . 4.540 4.427 4.245 4.622 0.082 18 0 "[ . 1 . 2]" 1
351 1 57 ARG QD 1 62 TYR HA . . 4.970 4.943 4.797 5.101 0.131 11 0 "[ . 1 . 2]" 1
352 1 62 TYR HA 1 63 ASN HB2 . . 4.290 4.429 4.356 4.529 0.239 5 0 "[ . 1 . 2]" 1
353 1 57 ARG QB 1 62 TYR HA . . 5.370 5.554 5.442 5.710 0.340 5 0 "[ . 1 . 2]" 1
354 1 62 TYR HA 1 64 ILE HG13 . . 4.730 4.509 4.410 4.582 . 0 0 "[ . 1 . 2]" 1
355 1 62 TYR HA 1 64 ILE MD . . 4.120 4.571 4.508 4.630 0.510 15 1 "[ . 1 + 2]" 1
356 1 62 TYR QB 1 63 ASN QD . . 5.260 4.164 3.947 4.373 . 0 0 "[ . 1 . 2]" 1
357 1 26 ILE QG 1 62 TYR QB . . 5.500 4.397 4.260 4.702 . 0 0 "[ . 1 . 2]" 1
358 1 53 LEU MD2 1 62 TYR QB . . 5.500 2.430 2.295 2.568 . 0 0 "[ . 1 . 2]" 1
359 1 61 ASP HA 1 61 ASP HB2 . . 2.850 2.510 2.444 2.587 . 0 0 "[ . 1 . 2]" 1
360 1 67 GLU H 1 68 SER HA . . 5.490 5.380 5.241 5.530 0.040 7 0 "[ . 1 . 2]" 1
361 1 68 SER HA 1 69 THR HA . . 4.470 4.431 4.408 4.474 0.004 1 0 "[ . 1 . 2]" 1
362 1 67 GLU HA 1 68 SER HA . . 4.760 4.748 4.654 4.815 0.055 19 0 "[ . 1 . 2]" 1
363 1 59 LEU H 1 60 SER QB . . 5.360 4.463 4.340 4.622 . 0 0 "[ . 1 . 2]" 1
364 1 60 SER QB 1 64 ILE H . . 5.010 5.013 4.802 5.214 0.204 5 0 "[ . 1 . 2]" 1
365 1 23 SER HA 1 60 SER QB . . 4.180 3.135 2.849 3.723 . 0 0 "[ . 1 . 2]" 1
366 1 58 THR HB 1 60 SER QB . . 4.360 3.494 3.232 3.851 . 0 0 "[ . 1 . 2]" 1
367 1 60 SER QB 1 65 GLN HA . . 5.400 4.500 3.765 5.373 . 0 0 "[ . 1 . 2]" 1
368 1 22 PRO HB2 1 60 SER QB . . 3.930 2.222 1.820 3.520 . 0 0 "[ . 1 . 2]" 1
369 1 22 PRO HB3 1 60 SER QB . . 3.950 3.596 2.946 4.747 0.797 12 3 "[ . 1 +*-. 2]" 1
370 1 59 LEU HB2 1 60 SER QB . . 4.640 3.923 3.743 4.420 . 0 0 "[ . 1 . 2]" 1
371 1 58 THR MG 1 60 SER QB . . 5.500 4.202 3.919 4.654 . 0 0 "[ . 1 . 2]" 1
372 1 59 LEU HA 1 62 TYR H . . 3.730 3.755 3.687 3.835 0.105 9 0 "[ . 1 . 2]" 1
373 1 58 THR HB 1 59 LEU HA . . 4.740 4.726 4.692 4.774 0.034 3 0 "[ . 1 . 2]" 1
374 1 59 LEU HA 1 62 TYR QB . . 4.190 3.386 3.304 3.494 . 0 0 "[ . 1 . 2]" 1
375 1 59 LEU HA 1 64 ILE HA . . 5.500 5.682 5.602 5.792 0.292 12 0 "[ . 1 . 2]" 1
376 1 26 ILE QG 1 59 LEU HA . . 4.840 3.863 3.710 4.047 . 0 0 "[ . 1 . 2]" 1
377 1 59 LEU HA 1 59 LEU HG . . 3.660 3.072 2.968 3.125 . 0 0 "[ . 1 . 2]" 1
378 1 59 LEU HA 1 64 ILE HG12 . . 4.750 4.795 4.676 4.906 0.156 12 0 "[ . 1 . 2]" 1
379 1 59 LEU HA 1 59 LEU QD . . 3.270 2.108 2.065 2.151 . 0 0 "[ . 1 . 2]" 1
380 1 26 ILE MD 1 59 LEU HA . . 3.060 2.181 2.065 2.266 . 0 0 "[ . 1 . 2]" 1
381 1 59 LEU HA 1 64 ILE MD . . 3.140 2.141 1.951 2.275 . 0 0 "[ . 1 . 2]" 1
382 1 59 LEU HA 1 64 ILE HB . . 3.760 2.699 2.612 2.801 . 0 0 "[ . 1 . 2]" 1
383 1 46 LEU HA 1 46 LEU MD2 . . 4.080 2.726 2.368 3.830 . 0 0 "[ . 1 . 2]" 1
384 1 25 THR HA 1 58 THR HA . . 3.300 2.020 1.836 2.355 . 0 0 "[ . 1 . 2]" 1
385 1 26 ILE H 1 58 THR HA . . 3.860 2.710 2.513 2.945 . 0 0 "[ . 1 . 2]" 1
386 1 58 THR HA 1 62 TYR H . . 5.500 5.732 5.605 5.888 0.388 5 0 "[ . 1 . 2]" 1
387 1 57 ARG HA 1 58 THR HA . . 4.520 4.491 4.450 4.518 . 0 0 "[ . 1 . 2]" 1
388 1 58 THR HA 1 59 LEU HA . . 4.530 4.397 4.327 4.430 . 0 0 "[ . 1 . 2]" 1
389 1 26 ILE MG 1 58 THR HA . . 5.130 5.402 5.280 5.553 0.423 3 0 "[ . 1 . 2]" 1
390 1 26 ILE MD 1 58 THR HA . . 4.000 3.488 3.168 3.596 . 0 0 "[ . 1 . 2]" 1
391 1 26 ILE QG 1 58 THR HA . . 3.430 2.811 2.671 3.010 . 0 0 "[ . 1 . 2]" 1
392 1 57 ARG QB 1 58 THR HA . . 4.570 4.186 4.156 4.219 . 0 0 "[ . 1 . 2]" 1
393 1 58 THR HA 1 61 ASP HB2 . . 5.500 4.874 4.648 5.092 . 0 0 "[ . 1 . 2]" 1
394 1 58 THR HA 1 59 LEU HG . . 4.540 4.272 4.170 4.363 . 0 0 "[ . 1 . 2]" 1
395 1 26 ILE HB 1 58 THR HA . . 4.530 4.775 4.530 4.985 0.455 18 0 "[ . 1 . 2]" 1
396 1 26 ILE H 1 58 THR HB . . 5.200 5.169 4.968 5.452 0.252 18 0 "[ . 1 . 2]" 1
397 1 25 THR HA 1 58 THR HB . . 4.150 3.752 3.528 3.966 . 0 0 "[ . 1 . 2]" 1
398 1 22 PRO HA 1 58 THR HB . . 5.120 4.775 4.594 5.075 . 0 0 "[ . 1 . 2]" 1
399 1 23 SER HA 1 58 THR HB . . 3.850 2.721 2.341 3.048 . 0 0 "[ . 1 . 2]" 1
400 1 26 ILE MD 1 58 THR HB . . 4.500 4.835 4.679 4.953 0.453 3 0 "[ . 1 . 2]" 1
401 1 58 THR HB 1 59 LEU QD . . 5.500 4.727 4.671 4.812 . 0 0 "[ . 1 . 2]" 1
402 1 58 THR HB 1 59 LEU HG . . 5.130 4.666 4.553 4.798 . 0 0 "[ . 1 . 2]" 1
403 1 58 THR HB 1 59 LEU HB3 . . 5.310 5.382 5.321 5.439 0.129 14 0 "[ . 1 . 2]" 1
404 1 58 THR H 1 58 THR MG . . 3.510 2.901 2.811 3.070 . 0 0 "[ . 1 . 2]" 1
405 1 26 ILE H 1 58 THR MG . . 3.880 4.038 3.870 4.211 0.331 3 0 "[ . 1 . 2]" 1
406 1 58 THR MG 1 60 SER H . . 4.500 4.386 4.208 4.617 0.117 18 0 "[ . 1 . 2]" 1
407 1 58 THR MG 1 59 LEU H . . 3.440 3.625 3.543 3.684 0.244 16 0 "[ . 1 . 2]" 1
408 1 58 THR HA 1 58 THR MG . . 2.940 2.391 2.356 2.423 . 0 0 "[ . 1 . 2]" 1
409 1 23 SER QB 1 58 THR MG . . 4.390 4.227 3.682 4.479 0.089 12 0 "[ . 1 . 2]" 1
410 1 58 THR MG 1 61 ASP HB3 . . 5.280 4.644 4.410 4.862 . 0 0 "[ . 1 . 2]" 1
411 1 57 ARG HA 1 58 THR H . . 3.080 2.541 2.524 2.562 . 0 0 "[ . 1 . 2]" 1
412 1 57 ARG HA 1 57 ARG QD . . 3.560 3.999 3.924 4.029 0.469 6 0 "[ . 1 . 2]" 1
413 1 57 ARG HA 1 61 ASP HB3 . . 4.010 4.322 4.205 4.520 0.510 1 1 "[+ . 1 . 2]" 1
414 1 57 ARG HA 1 57 ARG HG2 . . 3.410 2.502 2.465 2.555 . 0 0 "[ . 1 . 2]" 1
415 1 57 ARG HA 1 57 ARG HG3 . . 3.650 3.125 3.057 3.282 . 0 0 "[ . 1 . 2]" 1
416 1 26 ILE QG 1 57 ARG HA . . 5.140 4.539 4.457 4.598 . 0 0 "[ . 1 . 2]" 1
417 1 47 ILE HG12 1 51 LYS HA . . 5.500 4.906 4.459 5.344 . 0 0 "[ . 1 . 2]" 1
418 1 57 ARG HA 1 58 THR MG . . 4.480 3.583 3.495 3.702 . 0 0 "[ . 1 . 2]" 1
419 1 57 ARG QB 1 58 THR H . . 3.390 2.098 2.063 2.150 . 0 0 "[ . 1 . 2]" 1
420 1 57 ARG QB 1 62 TYR H . . 5.330 4.399 4.289 4.484 . 0 0 "[ . 1 . 2]" 1
421 1 65 GLN HE21 1 66 LYS HB2 . . 4.530 4.961 4.684 5.113 0.583 9 7 "[* * . * +1 -* * 2]" 1
422 1 54 GLU HA 1 57 ARG HG3 . . 5.170 5.236 5.125 5.326 0.156 3 0 "[ . 1 . 2]" 1
423 1 57 ARG QD 1 58 THR H . . 3.980 4.183 4.104 4.264 0.284 14 0 "[ . 1 . 2]" 1
424 1 57 ARG H 1 57 ARG QD . . 5.080 3.992 3.897 4.177 . 0 0 "[ . 1 . 2]" 1
425 1 57 ARG QB 1 57 ARG QD . . 3.440 2.167 2.128 2.194 . 0 0 "[ . 1 . 2]" 1
426 1 54 GLU HB3 1 57 ARG QD . . 3.830 2.237 1.924 2.815 . 0 0 "[ . 1 . 2]" 1
427 1 26 ILE MD 1 55 ASP HA . . 5.290 5.123 4.917 5.328 0.038 20 0 "[ . 1 . 2]" 1
428 1 26 ILE MG 1 55 ASP HA . . 3.290 2.816 2.537 3.005 . 0 0 "[ . 1 . 2]" 1
429 1 23 SER HA 1 58 THR MG . . 3.050 2.771 2.494 3.020 . 0 0 "[ . 1 . 2]" 1
430 1 39 ILE HA 1 40 PRO HD3 . . 3.330 2.370 2.276 2.469 . 0 0 "[ . 1 . 2]" 1
431 1 23 SER HA 1 58 THR HA . . 5.120 5.090 4.747 5.394 0.274 2 0 "[ . 1 . 2]" 1
432 1 23 SER HA 1 60 SER H . . 4.050 3.819 3.528 4.122 0.072 2 0 "[ . 1 . 2]" 1
433 1 55 ASP H 1 55 ASP HB2 . . 3.960 2.796 2.410 3.606 . 0 0 "[ . 1 . 2]" 1
434 1 55 ASP H 1 55 ASP HB3 . . 3.960 3.277 2.437 3.620 . 0 0 "[ . 1 . 2]" 1
435 1 55 ASP HB2 1 56 GLY HA2 . . 5.500 4.402 4.217 4.653 . 0 0 "[ . 1 . 2]" 1
436 1 55 ASP HB3 1 56 GLY HA2 . . 5.500 4.705 4.158 5.743 0.243 17 0 "[ . 1 . 2]" 1
437 1 27 GLU HB2 1 55 ASP HB2 . . 4.410 3.204 1.881 3.766 . 0 0 "[ . 1 . 2]" 1
438 1 21 GLU QG 1 24 ASP HB2 . . 4.910 2.598 2.270 2.822 . 0 0 "[ . 1 . 2]" 1
439 1 26 ILE MG 1 55 ASP HB3 . . 5.500 4.651 3.922 5.099 . 0 0 "[ . 1 . 2]" 1
440 1 26 ILE MG 1 55 ASP HB2 . . 5.500 5.057 4.379 5.440 . 0 0 "[ . 1 . 2]" 1
441 1 55 ASP HB3 1 57 ARG H . . 5.500 5.502 5.240 5.931 0.431 8 0 "[ . 1 . 2]" 1
442 1 55 ASP HB2 1 57 ARG H . . 5.500 5.123 4.771 5.652 0.152 17 0 "[ . 1 . 2]" 1
443 1 54 GLU HA 1 54 GLU QG . . 3.230 2.583 2.528 2.637 . 0 0 "[ . 1 . 2]" 1
444 1 54 GLU HB3 1 55 ASP H . . 4.390 4.098 4.049 4.152 . 0 0 "[ . 1 . 2]" 1
445 1 34 GLN QE 1 40 PRO HB3 . . 5.060 4.286 3.538 4.596 . 0 0 "[ . 1 . 2]" 1
446 1 40 PRO HB3 1 43 GLN QE . . 5.500 4.424 4.131 4.802 . 0 0 "[ . 1 . 2]" 1
447 1 54 GLU HB2 1 57 ARG H . . 5.010 4.759 4.367 4.999 . 0 0 "[ . 1 . 2]" 1
448 1 54 GLU HB2 1 57 ARG QD . . 5.140 3.384 3.161 3.864 . 0 0 "[ . 1 . 2]" 1
449 1 54 GLU HB2 1 57 ARG HG3 . . 4.550 3.962 3.663 4.165 . 0 0 "[ . 1 . 2]" 1
450 1 53 LEU HA 1 54 GLU HB2 . . 4.780 4.546 4.357 4.656 . 0 0 "[ . 1 . 2]" 1
451 1 54 GLU H 1 54 GLU QG . . 4.360 3.975 3.943 4.030 . 0 0 "[ . 1 . 2]" 1
452 1 54 GLU QG 1 57 ARG H . . 3.650 2.707 2.537 2.910 . 0 0 "[ . 1 . 2]" 1
453 1 54 GLU QG 1 56 GLY HA3 . . 4.150 3.345 3.076 3.535 . 0 0 "[ . 1 . 2]" 1
454 1 54 GLU QG 1 57 ARG HG3 . . 3.920 2.999 2.781 3.343 . 0 0 "[ . 1 . 2]" 1
455 1 54 GLU QG 1 57 ARG HG2 . . 4.210 4.596 4.408 4.836 0.626 17 5 "[ * . * 1 -. + *]" 1
456 1 54 GLU QG 1 57 ARG QB . . 3.610 3.875 3.675 4.149 0.539 14 2 "[ - . 1 +. 2]" 1
457 1 54 GLU QG 1 57 ARG QD . . 5.130 4.036 3.760 4.625 . 0 0 "[ . 1 . 2]" 1
458 1 53 LEU HA 1 53 LEU MD2 . . 3.560 2.211 2.140 2.262 . 0 0 "[ . 1 . 2]" 1
459 1 46 LEU HB3 1 53 LEU HA . . 5.160 4.910 4.727 5.286 0.126 6 0 "[ . 1 . 2]" 1
460 1 26 ILE QG 1 53 LEU HA . . 4.260 3.814 3.460 4.106 . 0 0 "[ . 1 . 2]" 1
461 1 53 LEU HA 1 54 GLU HB3 . . 4.530 4.470 4.356 4.588 0.058 17 0 "[ . 1 . 2]" 1
462 1 53 LEU HA 1 57 ARG QB . . 5.380 4.725 4.570 4.919 . 0 0 "[ . 1 . 2]" 1
463 1 53 LEU HA 1 62 TYR QB . . 4.490 4.533 4.284 4.673 0.183 5 0 "[ . 1 . 2]" 1
464 1 48 PHE HB3 1 53 LEU HA . . 5.500 5.607 5.344 5.903 0.403 14 0 "[ . 1 . 2]" 1
465 1 53 LEU HA 1 57 ARG QD . . 5.500 4.504 4.278 4.619 . 0 0 "[ . 1 . 2]" 1
466 1 53 LEU HA 1 54 GLU HA . . 4.570 4.439 4.414 4.480 . 0 0 "[ . 1 . 2]" 1
467 1 46 LEU HB3 1 53 LEU HG . . 4.020 2.624 2.397 3.666 . 0 0 "[ . 1 . 2]" 1
468 1 47 ILE HB 1 53 LEU HG . . 5.500 5.279 5.107 5.486 . 0 0 "[ . 1 . 2]" 1
469 1 26 ILE QG 1 53 LEU HG . . 5.270 5.260 5.034 5.438 0.168 14 0 "[ . 1 . 2]" 1
470 1 52 GLN HA 1 53 LEU HG . . 4.750 3.720 3.438 3.877 . 0 0 "[ . 1 . 2]" 1
471 1 48 PHE HB2 1 53 LEU HG . . 5.030 4.062 3.833 4.184 . 0 0 "[ . 1 . 2]" 1
472 1 48 PHE HB3 1 53 LEU HG . . 4.930 4.029 3.768 4.311 . 0 0 "[ . 1 . 2]" 1
473 1 26 ILE MG 1 53 LEU HG . . 4.530 4.201 4.064 4.317 . 0 0 "[ . 1 . 2]" 1
474 1 46 LEU MD1 1 53 LEU HG . . 4.670 3.956 3.676 4.184 . 0 0 "[ . 1 . 2]" 1
475 1 51 LYS HA 1 52 GLN HB2 . . 5.500 4.532 4.206 4.840 . 0 0 "[ . 1 . 2]" 1
476 1 51 LYS HA 1 52 GLN HB3 . . 5.500 4.815 4.650 5.126 . 0 0 "[ . 1 . 2]" 1
477 1 44 GLN HB3 1 74 LEU HA . . 5.220 4.099 3.618 4.655 . 0 0 "[ . 1 . 2]" 1
478 1 44 GLN HB3 1 72 LEU MD1 . . 4.100 2.417 2.289 2.636 . 0 0 "[ . 1 . 2]" 1
479 1 51 LYS HA 1 51 LYS QG . . 3.400 3.398 3.376 3.424 0.024 18 0 "[ . 1 . 2]" 1
480 1 50 GLY HA3 1 51 LYS HA . . 4.810 4.582 4.448 4.689 . 0 0 "[ . 1 . 2]" 1
481 1 51 LYS HA 1 52 GLN H . . 2.950 2.249 2.203 2.287 . 0 0 "[ . 1 . 2]" 1
482 1 51 LYS HB3 1 51 LYS HE2 . . 5.130 2.081 1.922 2.320 . 0 0 "[ . 1 . 2]" 1
483 1 51 LYS HB3 1 51 LYS HE3 . . 5.130 3.183 3.023 3.375 . 0 0 "[ . 1 . 2]" 1
484 1 48 PHE H 1 51 LYS HB2 . . 5.500 5.422 5.239 5.551 0.051 10 0 "[ . 1 . 2]" 1
485 1 48 PHE H 1 51 LYS HB3 . . 5.500 5.394 5.100 5.549 0.049 3 0 "[ . 1 . 2]" 1
486 1 65 GLN HE21 1 66 LYS HG2 . . 5.030 2.931 2.318 3.405 . 0 0 "[ . 1 . 2]" 1
487 1 65 GLN HE21 1 66 LYS HG3 . . 5.470 2.872 2.613 3.215 . 0 0 "[ . 1 . 2]" 1
488 1 51 LYS QG 1 53 LEU HA . . 4.640 4.003 3.871 4.216 . 0 0 "[ . 1 . 2]" 1
489 1 51 LYS HE2 1 51 LYS QG . . 3.870 2.954 2.786 3.043 . 0 0 "[ . 1 . 2]" 1
490 1 51 LYS HE3 1 51 LYS QG . . 3.870 2.502 2.399 2.642 . 0 0 "[ . 1 . 2]" 1
491 1 51 LYS H 1 51 LYS QD . . 4.840 4.173 3.929 4.342 . 0 0 "[ . 1 . 2]" 1
492 1 51 LYS QD 1 63 ASN QD . . 4.080 4.432 4.104 4.684 0.604 4 4 "[ *+. 1 * . - 2]" 1
493 1 51 LYS QD 1 62 TYR HA . . 4.150 3.637 2.977 4.088 . 0 0 "[ . 1 . 2]" 1
494 1 49 ALA MB 1 51 LYS QD . . 4.590 3.647 3.177 4.006 . 0 0 "[ . 1 . 2]" 1
495 1 18 LEU HA 1 36 LYS QE . . 3.980 2.286 2.028 2.503 . 0 0 "[ . 1 . 2]" 1
496 1 36 LYS HA 1 36 LYS QE . . 4.510 4.136 4.021 4.215 . 0 0 "[ . 1 . 2]" 1
497 1 49 ALA MB 1 51 LYS HE2 . . 4.020 3.248 2.949 3.612 . 0 0 "[ . 1 . 2]" 1
498 1 18 LEU MD1 1 36 LYS QE . . 3.400 2.785 2.458 3.023 . 0 0 "[ . 1 . 2]" 1
499 1 49 ALA MB 1 51 LYS HE3 . . 4.020 1.955 1.813 2.099 . 0 0 "[ . 1 . 2]" 1
500 1 34 GLN HB2 1 38 GLY HA2 . . 5.500 5.301 5.018 5.689 0.189 19 0 "[ . 1 . 2]" 1
501 1 34 GLN HG3 1 38 GLY HA2 . . 5.090 3.805 3.450 4.084 . 0 0 "[ . 1 . 2]" 1
502 1 34 GLN HG2 1 38 GLY HA2 . . 5.030 3.907 3.548 4.209 . 0 0 "[ . 1 . 2]" 1
503 1 50 GLY HA2 1 51 LYS QG . . 5.500 5.347 5.072 5.554 0.054 19 0 "[ . 1 . 2]" 1
504 1 47 ILE MG 1 50 GLY HA2 . . 3.730 2.610 2.438 2.844 . 0 0 "[ . 1 . 2]" 1
505 1 49 ALA HA 1 50 GLY HA2 . . 4.920 4.811 4.717 4.925 0.005 10 0 "[ . 1 . 2]" 1
506 1 49 ALA HA 1 50 GLY HA3 . . 4.430 4.454 4.410 4.515 0.085 19 0 "[ . 1 . 2]" 1
507 1 49 ALA HA 1 51 LYS HE2 . . 5.500 5.880 5.582 6.048 0.548 13 4 "[ *.* - + . 2]" 1
508 1 49 ALA HA 1 51 LYS HE3 . . 5.500 4.778 4.448 5.071 . 0 0 "[ . 1 . 2]" 1
509 1 47 ILE MG 1 49 ALA HA . . 4.690 4.879 4.753 5.012 0.322 10 0 "[ . 1 . 2]" 1
510 1 49 ALA MB 1 51 LYS QG . . 3.770 3.373 2.807 3.674 . 0 0 "[ . 1 . 2]" 1
511 1 49 ALA MB 1 51 LYS HB3 . . 4.350 4.342 4.080 4.664 0.314 16 0 "[ . 1 . 2]" 1
512 1 48 PHE HA 1 49 ALA HA . . 4.510 4.396 4.363 4.422 . 0 0 "[ . 1 . 2]" 1
513 1 48 PHE HA 1 49 ALA MB . . 3.960 4.129 4.048 4.216 0.256 13 0 "[ . 1 . 2]" 1
514 1 48 PHE HA 1 64 ILE MD . . 5.330 4.809 4.643 4.965 . 0 0 "[ . 1 . 2]" 1
515 1 47 ILE HB 1 48 PHE HA . . 5.370 4.912 4.735 5.040 . 0 0 "[ . 1 . 2]" 1
516 1 48 PHE HA 1 70 LEU HG . . 5.500 5.468 5.130 5.916 0.416 3 0 "[ . 1 . 2]" 1
517 1 48 PHE HA 1 53 LEU HG . . 5.500 5.223 5.004 5.421 . 0 0 "[ . 1 . 2]" 1
518 1 48 PHE HB2 1 53 LEU MD2 . . 4.520 2.676 2.461 2.852 . 0 0 "[ . 1 . 2]" 1
519 1 47 ILE HA 1 52 GLN H . . 4.560 4.707 4.583 4.851 0.291 4 0 "[ . 1 . 2]" 1
520 1 47 ILE HA 1 51 LYS H . . 5.020 4.541 4.067 4.932 . 0 0 "[ . 1 . 2]" 1
521 1 46 LEU HA 1 47 ILE HA . . 4.460 4.461 4.439 4.527 0.067 6 0 "[ . 1 . 2]" 1
522 1 47 ILE HA 1 53 LEU HA . . 5.140 5.060 4.883 5.288 0.148 7 0 "[ . 1 . 2]" 1
523 1 47 ILE HA 1 71 HIS HB2 . . 5.090 5.284 4.992 5.531 0.441 6 0 "[ . 1 . 2]" 1
524 1 47 ILE HA 1 48 PHE HB3 . . 4.570 4.583 4.458 4.719 0.149 6 0 "[ . 1 . 2]" 1
525 1 47 ILE HA 1 48 PHE HB2 . . 4.780 4.711 4.620 4.793 0.013 3 0 "[ . 1 . 2]" 1
526 1 47 ILE HA 1 52 GLN HG2 . . 5.170 4.921 3.892 5.600 0.430 8 0 "[ . 1 . 2]" 1
527 1 46 LEU HB3 1 47 ILE HA . . 4.820 4.371 4.273 4.834 0.014 6 0 "[ . 1 . 2]" 1
528 1 47 ILE HA 1 51 LYS QG . . 5.100 4.288 4.136 4.415 . 0 0 "[ . 1 . 2]" 1
529 1 47 ILE HA 1 53 LEU HG . . 3.930 2.654 2.423 2.850 . 0 0 "[ . 1 . 2]" 1
530 1 47 ILE HA 1 47 ILE HG12 . . 3.780 2.624 2.571 2.689 . 0 0 "[ . 1 . 2]" 1
531 1 47 ILE HA 1 47 ILE HG13 . . 3.820 2.935 2.877 3.017 . 0 0 "[ . 1 . 2]" 1
532 1 47 ILE HA 1 53 LEU HB2 . . 5.090 4.692 4.352 4.984 . 0 0 "[ . 1 . 2]" 1
533 1 47 ILE HA 1 53 LEU MD2 . . 4.310 3.217 3.047 3.438 . 0 0 "[ . 1 . 2]" 1
534 1 47 ILE HA 1 52 GLN HG3 . . 5.170 4.901 4.160 6.037 0.867 13 4 "[ - . 1* + . *]" 1
535 1 46 LEU MD1 1 47 ILE HA . . 4.840 5.097 4.727 5.224 0.384 11 0 "[ . 1 . 2]" 1
536 1 47 ILE HB 1 71 HIS H . . 4.650 4.120 3.618 4.488 . 0 0 "[ . 1 . 2]" 1
537 1 47 ILE HB 1 50 GLY H . . 4.870 5.013 4.937 5.104 0.234 11 0 "[ . 1 . 2]" 1
538 1 46 LEU HA 1 47 ILE HB . . 4.710 4.571 4.459 4.711 0.001 11 0 "[ . 1 . 2]" 1
539 1 11 LEU HB3 1 73 VAL HA . . 5.070 4.850 4.770 5.026 . 0 0 "[ . 1 . 2]" 1
540 1 47 ILE HB 1 71 HIS HB2 . . 3.720 2.855 2.465 3.135 . 0 0 "[ . 1 . 2]" 1
541 1 46 LEU H 1 47 ILE HG13 . . 5.290 4.040 3.907 4.095 . 0 0 "[ . 1 . 2]" 1
542 1 47 ILE H 1 47 ILE HG12 . . 4.610 4.340 4.266 4.398 . 0 0 "[ . 1 . 2]" 1
543 1 47 ILE HG12 1 52 GLN HA . . 4.540 2.253 2.012 2.519 . 0 0 "[ . 1 . 2]" 1
544 1 47 ILE HG13 1 52 GLN HA . . 4.780 3.239 3.039 3.441 . 0 0 "[ . 1 . 2]" 1
545 1 46 LEU HA 1 47 ILE HG13 . . 4.990 3.975 3.731 4.074 . 0 0 "[ . 1 . 2]" 1
546 1 46 LEU HA 1 72 LEU HG . . 5.220 5.600 5.058 5.818 0.598 10 4 "[ . * +* . -2]" 1
547 1 47 ILE HG12 1 71 HIS HB2 . . 5.500 5.843 5.398 6.091 0.591 11 5 "[* . 1+ -* *2]" 1
548 1 47 ILE HG13 1 71 HIS HB2 . . 5.360 5.311 4.882 5.655 0.295 14 0 "[ . 1 . 2]" 1
549 1 45 ARG QB 1 47 ILE HG13 . . 4.690 3.868 3.514 4.136 . 0 0 "[ . 1 . 2]" 1
550 1 47 ILE HG13 1 53 LEU HG . . 4.980 4.817 4.626 4.982 0.002 11 0 "[ . 1 . 2]" 1
551 1 46 LEU HB3 1 47 ILE HG13 . . 5.500 5.129 5.038 5.174 . 0 0 "[ . 1 . 2]" 1
552 1 47 ILE H 1 47 ILE MG . . 4.000 3.947 3.907 3.981 . 0 0 "[ . 1 . 2]" 1
553 1 47 ILE MG 1 48 PHE H . . 3.140 2.812 2.646 3.040 . 0 0 "[ . 1 . 2]" 1
554 1 47 ILE HA 1 47 ILE MG . . 3.010 2.554 2.520 2.596 . 0 0 "[ . 1 . 2]" 1
555 1 47 ILE MG 1 48 PHE HA . . 3.530 3.485 3.235 3.672 0.142 7 0 "[ . 1 . 2]" 1
556 1 47 ILE MG 1 52 GLN HA . . 3.900 3.430 3.001 3.748 . 0 0 "[ . 1 . 2]" 1
557 1 47 ILE MG 1 50 GLY HA3 . . 3.770 3.858 3.709 4.088 0.318 11 0 "[ . 1 . 2]" 1
558 1 47 ILE MG 1 71 HIS HB2 . . 3.490 3.186 2.868 3.431 . 0 0 "[ . 1 . 2]" 1
559 1 33 ILE MG 1 34 GLN HB2 . . 4.430 4.066 3.644 4.709 0.279 9 0 "[ . 1 . 2]" 1
560 1 33 ILE MG 1 44 GLN QG . . 3.610 2.333 1.999 2.868 . 0 0 "[ . 1 . 2]" 1
561 1 47 ILE HG12 1 47 ILE MG . . 3.070 2.430 2.397 2.464 . 0 0 "[ . 1 . 2]" 1
562 1 47 ILE HG13 1 47 ILE MG . . 3.210 3.259 3.248 3.271 0.061 10 0 "[ . 1 . 2]" 1
563 1 33 ILE MG 1 36 LYS HB2 . . 3.920 4.158 3.836 4.591 0.671 6 3 "[ *.+ 1 . - 2]" 1
564 1 33 ILE MG 1 44 GLN HB2 . . 4.130 2.800 2.529 3.336 . 0 0 "[ . 1 . 2]" 1
565 1 33 ILE MG 1 37 GLU HG3 . . 4.170 3.011 2.749 3.354 . 0 0 "[ . 1 . 2]" 1
566 1 46 LEU H 1 47 ILE MD . . 4.740 5.056 4.974 5.121 0.381 8 0 "[ . 1 . 2]" 1
567 1 47 ILE H 1 47 ILE MD . . 4.070 4.277 4.219 4.348 0.278 17 0 "[ . 1 . 2]" 1
568 1 47 ILE MD 1 73 VAL H . . 4.310 4.347 3.596 4.839 0.529 2 1 "[ + . 1 . 2]" 1
569 1 38 GLY H 1 39 ILE MD . . 3.960 3.725 3.652 3.804 . 0 0 "[ . 1 . 2]" 1
570 1 47 ILE MD 1 52 GLN HA . . 4.040 3.871 3.646 4.092 0.052 11 0 "[ . 1 . 2]" 1
571 1 47 ILE HA 1 47 ILE MD . . 3.910 3.892 3.869 3.929 0.019 11 0 "[ . 1 . 2]" 1
572 1 46 LEU HA 1 47 ILE MD . . 4.910 5.071 4.895 5.147 0.237 19 0 "[ . 1 . 2]" 1
573 1 47 ILE MD 1 71 HIS HB2 . . 4.100 4.324 3.673 4.651 0.551 19 1 "[ . 1 . +2]" 1
574 1 45 ARG QB 1 47 ILE MD . . 3.230 3.468 3.135 3.575 0.345 15 0 "[ . 1 . 2]" 1
575 1 47 ILE HB 1 47 ILE MD . . 3.040 2.445 2.406 2.471 . 0 0 "[ . 1 . 2]" 1
576 1 46 LEU HA 1 53 LEU H . . 5.030 4.827 4.710 4.979 . 0 0 "[ . 1 . 2]" 1
577 1 46 LEU HA 1 72 LEU HA . . 3.680 3.245 3.027 3.453 . 0 0 "[ . 1 . 2]" 1
578 1 45 ARG HA 1 46 LEU HA . . 4.570 4.395 4.280 4.448 . 0 0 "[ . 1 . 2]" 1
579 1 30 LYS QE 1 46 LEU HA . . 5.500 5.565 5.052 5.854 0.354 11 0 "[ . 1 . 2]" 1
580 1 46 LEU HA 1 46 LEU HG . . 3.870 3.694 3.211 3.759 . 0 0 "[ . 1 . 2]" 1
581 1 45 ARG QB 1 46 LEU HA . . 4.740 4.767 4.713 4.819 0.079 6 0 "[ . 1 . 2]" 1
582 1 46 LEU HA 1 72 LEU MD2 . . 3.580 2.797 2.329 3.001 . 0 0 "[ . 1 . 2]" 1
583 1 46 LEU HA 1 70 LEU QD . . 4.160 3.685 3.422 3.999 . 0 0 "[ . 1 . 2]" 1
584 1 46 LEU HG 1 47 ILE H . . 5.500 5.157 3.544 5.452 . 0 0 "[ . 1 . 2]" 1
585 1 46 LEU H 1 46 LEU HG . . 4.640 4.319 4.231 4.645 0.005 4 0 "[ . 1 . 2]" 1
586 1 18 LEU HG 1 36 LYS QE . . 5.130 5.132 4.735 5.359 0.229 17 0 "[ . 1 . 2]" 1
587 1 30 LYS QE 1 46 LEU HG . . 5.310 3.191 2.775 4.694 . 0 0 "[ . 1 . 2]" 1
588 1 6 ILE MD 1 18 LEU HG . . 5.500 3.787 3.627 3.924 . 0 0 "[ . 1 . 2]" 1
589 1 46 LEU HG 1 70 LEU QD . . 5.500 3.826 2.676 4.144 . 0 0 "[ . 1 . 2]" 1
590 1 46 LEU MD1 1 47 ILE H . . 3.190 3.139 2.465 3.358 0.168 11 0 "[ . 1 . 2]" 1
591 1 46 LEU H 1 46 LEU MD1 . . 4.450 4.064 3.989 4.266 . 0 0 "[ . 1 . 2]" 1
592 1 46 LEU HA 1 46 LEU MD1 . . 2.830 2.005 1.907 2.064 . 0 0 "[ . 1 . 2]" 1
593 1 18 LEU MD1 1 36 LYS HG3 . . 2.910 2.072 1.940 2.208 . 0 0 "[ . 1 . 2]" 1
594 1 45 ARG HA 1 46 LEU H . . 3.020 2.183 2.077 2.226 . 0 0 "[ . 1 . 2]" 1
595 1 45 ARG HA 1 73 VAL H . . 4.900 4.592 4.506 4.644 . 0 0 "[ . 1 . 2]" 1
596 1 43 GLN HA 1 44 GLN HA . . 4.970 4.600 4.523 4.656 . 0 0 "[ . 1 . 2]" 1
597 1 44 GLN HA 1 45 ARG HA . . 5.240 4.479 4.411 4.524 . 0 0 "[ . 1 . 2]" 1
598 1 45 ARG HA 1 46 LEU HB2 . . 4.430 4.258 3.838 4.413 . 0 0 "[ . 1 . 2]" 1
599 1 39 ILE MG 1 43 GLN HA . . 4.480 4.186 4.073 4.391 . 0 0 "[ . 1 . 2]" 1
600 1 45 ARG HA 1 46 LEU MD2 . . 4.930 3.447 3.029 5.457 0.527 6 1 "[ .+ 1 . 2]" 1
601 1 45 ARG HA 1 72 LEU MD2 . . 4.890 3.948 3.800 4.175 . 0 0 "[ . 1 . 2]" 1
602 1 45 ARG HA 1 45 ARG HG3 . . 3.650 2.468 2.276 2.574 . 0 0 "[ . 1 . 2]" 1
603 1 45 ARG HA 1 45 ARG HG2 . . 3.650 3.082 3.016 3.181 . 0 0 "[ . 1 . 2]" 1
604 1 45 ARG QB 1 46 LEU H . . 3.980 3.702 3.585 3.786 . 0 0 "[ . 1 . 2]" 1
605 1 45 ARG QB 1 73 VAL H . . 3.880 2.956 2.586 3.310 . 0 0 "[ . 1 . 2]" 1
606 1 44 GLN HA 1 45 ARG QB . . 4.910 3.861 3.720 3.982 . 0 0 "[ . 1 . 2]" 1
607 1 45 ARG QB 1 73 VAL HA . . 5.500 4.418 4.268 4.609 . 0 0 "[ . 1 . 2]" 1
608 1 45 ARG QB 1 72 LEU HA . . 5.370 4.556 4.216 4.784 . 0 0 "[ . 1 . 2]" 1
609 1 45 ARG QB 1 74 LEU HA . . 5.500 5.024 4.713 5.295 . 0 0 "[ . 1 . 2]" 1
610 1 45 ARG HA 1 45 ARG HD2 . . 5.440 4.304 4.098 4.434 . 0 0 "[ . 1 . 2]" 1
611 1 45 ARG HA 1 45 ARG HD3 . . 5.500 4.741 4.651 4.790 . 0 0 "[ . 1 . 2]" 1
612 1 45 ARG HD2 1 75 ARG QG . . 4.490 3.999 2.892 4.781 0.291 5 0 "[ . 1 . 2]" 1
613 1 45 ARG QB 1 45 ARG HD3 . . 3.920 2.536 2.443 2.598 . 0 0 "[ . 1 . 2]" 1
614 1 45 ARG HD3 1 75 ARG QG . . 5.190 5.015 4.022 5.851 0.661 5 1 "[ + 1 . 2]" 1
615 1 45 ARG HD3 1 47 ILE MD . . 5.010 2.974 2.544 3.782 . 0 0 "[ . 1 . 2]" 1
616 1 45 ARG HD2 1 47 ILE MD . . 4.990 4.463 4.011 5.114 0.124 6 0 "[ . 1 . 2]" 1
617 1 44 GLN HA 1 74 LEU H . . 4.830 4.803 4.608 4.955 0.125 19 0 "[ . 1 . 2]" 1
618 1 44 GLN HA 1 73 VAL H . . 4.730 4.312 3.986 4.682 . 0 0 "[ . 1 . 2]" 1
619 1 43 GLN H 1 44 GLN HA . . 5.040 5.069 4.911 5.134 0.094 5 0 "[ . 1 . 2]" 1
620 1 44 GLN HA 1 44 GLN QG . . 3.790 3.489 3.466 3.532 . 0 0 "[ . 1 . 2]" 1
621 1 43 GLN QB 1 44 GLN HA . . 4.380 4.167 4.015 4.309 . 0 0 "[ . 1 . 2]" 1
622 1 44 GLN HA 1 74 LEU HG . . 5.050 4.949 4.739 5.240 0.190 19 0 "[ . 1 . 2]" 1
623 1 44 GLN HA 1 75 ARG QG . . 5.080 3.982 3.346 4.407 . 0 0 "[ . 1 . 2]" 1
624 1 10 THR MG 1 44 GLN HA . . 5.500 5.384 5.060 5.589 0.089 4 0 "[ . 1 . 2]" 1
625 1 44 GLN HA 1 72 LEU HG . . 5.500 5.290 4.985 5.529 0.029 4 0 "[ . 1 . 2]" 1
626 1 44 GLN HA 1 72 LEU MD1 . . 3.880 2.701 2.441 2.903 . 0 0 "[ . 1 . 2]" 1
627 1 39 ILE MG 1 44 GLN HA . . 3.530 3.297 3.078 3.687 0.157 1 0 "[ . 1 . 2]" 1
628 1 43 GLN HA 1 77 ARG H . . 4.910 3.944 3.270 4.990 0.080 19 0 "[ . 1 . 2]" 1
629 1 43 GLN HA 1 43 GLN QE . . 4.730 3.838 3.236 4.121 . 0 0 "[ . 1 . 2]" 1
630 1 43 GLN HA 1 43 GLN QG . . 3.160 2.643 2.499 2.767 . 0 0 "[ . 1 . 2]" 1
631 1 43 GLN HA 1 75 ARG HB2 . . 3.140 2.064 1.877 2.270 . 0 0 "[ . 1 . 2]" 1
632 1 43 GLN QB 1 75 ARG H . . 3.600 3.131 2.803 3.643 0.043 2 0 "[ . 1 . 2]" 1
633 1 40 PRO HD2 1 43 GLN QB . . 4.920 2.409 2.193 2.712 . 0 0 "[ . 1 . 2]" 1
634 1 43 GLN QG 1 75 ARG H . . 4.380 3.722 3.280 4.292 . 0 0 "[ . 1 . 2]" 1
635 1 43 GLN H 1 43 GLN QG . . 4.140 3.817 3.703 3.938 . 0 0 "[ . 1 . 2]" 1
636 1 43 GLN QG 1 44 GLN H . . 4.720 4.787 4.696 4.878 0.158 1 0 "[ . 1 . 2]" 1
637 1 43 GLN QG 1 74 LEU HA . . 5.500 5.381 4.966 5.627 0.127 13 0 "[ . 1 . 2]" 1
638 1 40 PRO HD3 1 43 GLN QG . . 4.980 4.557 4.355 4.889 . 0 0 "[ . 1 . 2]" 1
639 1 40 PRO HD2 1 43 GLN QG . . 4.420 3.291 3.102 3.570 . 0 0 "[ . 1 . 2]" 1
640 1 39 ILE MG 1 43 GLN QG . . 3.930 3.406 3.271 3.557 . 0 0 "[ . 1 . 2]" 1
641 1 43 GLN QG 1 76 LEU MD1 . . 4.150 3.263 2.314 5.118 0.968 8 1 "[ . + 1 . 2]" 1
642 1 43 GLN QG 1 77 ARG HG2 . . 4.820 3.624 2.556 4.188 . 0 0 "[ . 1 . 2]" 1
643 1 43 GLN QG 1 77 ARG HG3 . . 4.820 4.754 3.967 5.077 0.257 9 0 "[ . 1 . 2]" 1
644 1 43 GLN QG 1 75 ARG HB2 . . 4.010 2.822 2.309 3.159 . 0 0 "[ . 1 . 2]" 1
645 1 40 PRO HG2 1 43 GLN QG . . 3.790 3.173 2.695 3.510 . 0 0 "[ . 1 . 2]" 1
646 1 43 GLN QG 1 75 ARG HB3 . . 3.680 3.888 3.293 4.603 0.923 10 4 "[-* . + . * 2]" 1
647 1 40 PRO HG3 1 43 GLN QG . . 4.340 3.855 3.401 4.209 . 0 0 "[ . 1 . 2]" 1
648 1 42 ASP HA 1 43 GLN H . . 3.550 3.542 3.471 3.580 0.030 19 0 "[ . 1 . 2]" 1
649 1 42 ASP HA 1 44 GLN H . . 4.940 4.619 4.399 4.820 . 0 0 "[ . 1 . 2]" 1
650 1 43 GLN QG 1 75 ARG HA . . 4.570 4.927 4.544 5.209 0.639 10 3 "[-* . + . 2]" 1
651 1 41 PRO HG2 1 42 ASP HA . . 4.900 4.719 4.505 4.943 0.043 3 0 "[ . 1 . 2]" 1
652 1 75 ARG HA 1 76 LEU HB2 . . 5.240 4.601 4.310 5.158 . 0 0 "[ . 1 . 2]" 1
653 1 41 PRO HB2 1 42 ASP HA . . 4.430 4.410 4.320 4.483 0.053 1 0 "[ . 1 . 2]" 1
654 1 41 PRO QD 1 42 ASP HB3 . . 5.360 4.897 4.634 5.135 . 0 0 "[ . 1 . 2]" 1
655 1 41 PRO QD 1 42 ASP HB2 . . 5.360 4.828 4.486 5.119 . 0 0 "[ . 1 . 2]" 1
656 1 40 PRO HB2 1 42 ASP HB2 . . 4.440 3.913 3.638 4.249 . 0 0 "[ . 1 . 2]" 1
657 1 40 PRO HB2 1 42 ASP HB3 . . 4.440 3.198 2.833 3.692 . 0 0 "[ . 1 . 2]" 1
658 1 31 ALA H 1 41 PRO HA . . 5.500 5.977 5.648 6.173 0.673 14 14 "[ * * ** ****+** **-]" 1
659 1 40 PRO HA 1 41 PRO HA . . 4.530 4.472 4.405 4.527 . 0 0 "[ . 1 . 2]" 1
660 1 41 PRO HA 1 42 ASP HA . . 4.790 4.802 4.729 4.861 0.071 18 0 "[ . 1 . 2]" 1
661 1 41 PRO HA 1 44 GLN QG . . 3.150 2.165 1.859 2.431 . 0 0 "[ . 1 . 2]" 1
662 1 41 PRO HA 1 44 GLN HB2 . . 4.810 4.750 4.657 4.907 0.097 19 0 "[ . 1 . 2]" 1
663 1 30 LYS HB2 1 41 PRO HA . . 3.430 3.169 2.815 3.427 . 0 0 "[ . 1 . 2]" 1
664 1 39 ILE MG 1 41 PRO HA . . 4.470 4.633 4.495 4.811 0.341 9 0 "[ . 1 . 2]" 1
665 1 41 PRO HB2 1 42 ASP H . . 4.110 3.658 3.565 3.728 . 0 0 "[ . 1 . 2]" 1
666 1 37 GLU HB3 1 38 GLY H . . 4.130 4.191 4.126 4.250 0.120 16 0 "[ . 1 . 2]" 1
667 1 26 ILE MG 1 57 ARG QB . . 4.800 4.531 4.352 4.666 . 0 0 "[ . 1 . 2]" 1
668 1 41 PRO HG3 1 42 ASP H . . 4.470 4.391 4.238 4.495 0.025 11 0 "[ . 1 . 2]" 1
669 1 22 PRO HG2 1 24 ASP H . . 5.500 5.069 4.851 5.233 . 0 0 "[ . 1 . 2]" 1
670 1 31 ALA H 1 41 PRO HG3 . . 5.500 5.174 4.525 5.542 0.042 12 0 "[ . 1 . 2]" 1
671 1 40 PRO HA 1 41 PRO HG3 . . 4.710 4.655 4.610 4.720 0.010 18 0 "[ . 1 . 2]" 1
672 1 40 PRO HA 1 41 PRO HG2 . . 4.610 4.525 4.376 4.671 0.061 19 0 "[ . 1 . 2]" 1
673 1 22 PRO HG2 1 23 SER QB . . 3.790 3.473 3.205 3.747 . 0 0 "[ . 1 . 2]" 1
674 1 22 PRO HG2 1 23 SER HA . . 4.780 4.794 4.555 5.060 0.280 13 0 "[ . 1 . 2]" 1
675 1 22 PRO QD 1 24 ASP H . . 4.900 4.525 4.237 4.631 . 0 0 "[ . 1 . 2]" 1
676 1 31 ALA H 1 41 PRO QD . . 5.500 5.215 4.804 5.620 0.120 16 0 "[ . 1 . 2]" 1
677 1 34 GLN QE 1 41 PRO QD . . 4.450 2.333 1.849 2.450 . 0 0 "[ . 1 . 2]" 1
678 1 41 PRO QD 1 42 ASP HA . . 5.240 5.527 5.406 5.660 0.420 11 0 "[ . 1 . 2]" 1
679 1 40 PRO HB2 1 41 PRO QD . . 3.650 2.627 2.411 2.853 . 0 0 "[ . 1 . 2]" 1
680 1 30 LYS HB2 1 41 PRO QD . . 5.360 4.844 4.473 5.247 . 0 0 "[ . 1 . 2]" 1
681 1 30 LYS QG 1 41 PRO QD . . 5.500 4.239 3.930 4.516 . 0 0 "[ . 1 . 2]" 1
682 1 22 PRO QD 1 59 LEU QD . . 5.470 3.856 3.548 4.226 . 0 0 "[ . 1 . 2]" 1
683 1 34 GLN QE 1 40 PRO HA . . 3.900 3.356 2.319 3.564 . 0 0 "[ . 1 . 2]" 1
684 1 40 PRO HA 1 41 PRO QD . . 2.760 2.176 2.096 2.245 . 0 0 "[ . 1 . 2]" 1
685 1 39 ILE HA 1 40 PRO HA . . 4.510 4.470 4.443 4.494 . 0 0 "[ . 1 . 2]" 1
686 1 40 PRO HA 1 44 GLN QG . . 5.200 4.147 3.943 4.501 . 0 0 "[ . 1 . 2]" 1
687 1 34 GLN HG3 1 40 PRO HA . . 3.650 2.519 2.338 2.920 . 0 0 "[ . 1 . 2]" 1
688 1 40 PRO HB3 1 42 ASP H . . 4.440 4.286 4.128 4.438 . 0 0 "[ . 1 . 2]" 1
689 1 40 PRO HB3 1 43 GLN H . . 5.200 4.885 4.667 5.024 . 0 0 "[ . 1 . 2]" 1
690 1 39 ILE HA 1 40 PRO HB3 . . 5.070 4.893 4.811 4.999 . 0 0 "[ . 1 . 2]" 1
691 1 40 PRO HG3 1 42 ASP H . . 4.830 4.817 4.565 5.077 0.247 17 0 "[ . 1 . 2]" 1
692 1 40 PRO HG3 1 43 GLN QE . . 4.460 2.609 2.321 2.923 . 0 0 "[ . 1 . 2]" 1
693 1 40 PRO HG2 1 43 GLN QE . . 5.230 2.187 1.750 2.477 . 0 0 "[ . 1 . 2]" 1
694 1 40 PRO HG3 1 43 GLN H . . 5.090 4.342 4.084 4.556 . 0 0 "[ . 1 . 2]" 1
695 1 39 ILE HA 1 40 PRO HG3 . . 4.700 4.506 4.450 4.550 . 0 0 "[ . 1 . 2]" 1
696 1 27 GLU HB3 1 55 ASP HA . . 4.940 4.398 4.221 4.906 . 0 0 "[ . 1 . 2]" 1
697 1 34 GLN HB3 1 40 PRO HA . . 4.490 4.024 3.746 4.272 . 0 0 "[ . 1 . 2]" 1
698 1 34 GLN HB3 1 35 ASP HA . . 4.920 4.508 4.408 4.584 . 0 0 "[ . 1 . 2]" 1
699 1 39 ILE MG 1 40 PRO HG3 . . 4.280 4.438 4.287 4.555 0.275 10 0 "[ . 1 . 2]" 1
700 1 39 ILE MG 1 40 PRO HG2 . . 4.220 3.499 3.289 3.653 . 0 0 "[ . 1 . 2]" 1
701 1 39 ILE HA 1 40 PRO HD2 . . 3.100 2.289 2.200 2.364 . 0 0 "[ . 1 . 2]" 1
702 1 22 PRO HB2 1 23 SER HA . . 4.590 4.353 4.204 4.509 . 0 0 "[ . 1 . 2]" 1
703 1 34 GLN HG3 1 39 ILE HA . . 4.320 4.286 4.032 4.461 0.141 2 0 "[ . 1 . 2]" 1
704 1 37 GLU HG3 1 39 ILE HA . . 4.690 4.442 4.332 4.578 . 0 0 "[ . 1 . 2]" 1
705 1 39 ILE HA 1 40 PRO HG2 . . 5.000 4.464 4.389 4.525 . 0 0 "[ . 1 . 2]" 1
706 1 39 ILE HA 1 43 GLN QB . . 4.900 4.132 3.942 4.427 . 0 0 "[ . 1 . 2]" 1
707 1 39 ILE HA 1 39 ILE QG . . 3.550 2.403 2.373 2.468 . 0 0 "[ . 1 . 2]" 1
708 1 37 GLU H 1 39 ILE HB . . 5.480 5.397 5.220 5.569 0.089 16 0 "[ . 1 . 2]" 1
709 1 39 ILE HB 1 40 PRO HD2 . . 4.980 4.398 4.290 4.460 . 0 0 "[ . 1 . 2]" 1
710 1 39 ILE HB 1 40 PRO HD3 . . 5.220 5.174 5.115 5.247 0.027 20 0 "[ . 1 . 2]" 1
711 1 39 ILE HB 1 40 PRO HA . . 5.500 5.717 5.664 5.850 0.350 14 0 "[ . 1 . 2]" 1
712 1 34 GLN HB2 1 39 ILE HB . . 5.500 5.643 5.439 5.855 0.355 14 0 "[ . 1 . 2]" 1
713 1 39 ILE HB 1 44 GLN QG . . 5.030 3.635 3.009 4.460 . 0 0 "[ . 1 . 2]" 1
714 1 39 ILE HB 1 43 GLN QB . . 5.500 4.671 4.547 4.870 . 0 0 "[ . 1 . 2]" 1
715 1 33 ILE HB 1 39 ILE HB . . 5.500 5.743 5.268 6.020 0.520 19 1 "[ . 1 . +2]" 1
716 1 34 GLN HG3 1 39 ILE HB . . 5.500 5.685 5.503 5.893 0.393 18 0 "[ . 1 . 2]" 1
717 1 37 GLU HB3 1 39 ILE HB . . 5.500 5.270 5.061 5.505 0.005 16 0 "[ . 1 . 2]" 1
718 1 39 ILE HB 1 44 GLN HB2 . . 5.060 4.741 4.371 5.272 0.212 1 0 "[ . 1 . 2]" 1
719 1 39 ILE H 1 39 ILE QG . . 4.040 3.816 3.722 3.931 . 0 0 "[ . 1 . 2]" 1
720 1 18 LEU HG 1 32 LYS HA . . 5.210 5.482 5.227 5.735 0.525 9 1 "[ . +1 . 2]" 1
721 1 39 ILE QG 1 40 PRO HD2 . . 5.110 3.360 3.049 3.460 . 0 0 "[ . 1 . 2]" 1
722 1 39 ILE MG 1 45 ARG H . . 5.500 5.076 4.927 5.445 . 0 0 "[ . 1 . 2]" 1
723 1 39 ILE MG 1 75 ARG H . . 4.920 3.893 3.536 4.387 . 0 0 "[ . 1 . 2]" 1
724 1 39 ILE MG 1 43 GLN QE . . 4.840 4.447 4.162 4.682 . 0 0 "[ . 1 . 2]" 1
725 1 39 ILE H 1 39 ILE MG . . 3.810 3.764 3.710 3.813 0.003 16 0 "[ . 1 . 2]" 1
726 1 39 ILE MG 1 40 PRO HD3 . . 3.440 3.589 3.536 3.653 0.213 4 0 "[ . 1 . 2]" 1
727 1 39 ILE HA 1 39 ILE MG . . 3.040 2.647 2.605 2.741 . 0 0 "[ . 1 . 2]" 1
728 1 39 ILE MG 1 40 PRO HA . . 4.060 4.264 4.231 4.299 0.239 9 0 "[ . 1 . 2]" 1
729 1 39 ILE MG 1 40 PRO HD2 . . 3.300 2.187 2.107 2.276 . 0 0 "[ . 1 . 2]" 1
730 1 34 GLN HA 1 39 ILE MG . . 4.520 4.677 4.541 4.857 0.337 11 0 "[ . 1 . 2]" 1
731 1 39 ILE MG 1 41 PRO QD . . 4.920 5.049 4.974 5.118 0.198 19 0 "[ . 1 . 2]" 1
732 1 39 ILE MG 1 44 GLN QG . . 3.120 2.480 2.135 3.003 . 0 0 "[ . 1 . 2]" 1
733 1 39 ILE MG 1 43 GLN QB . . 3.080 2.026 1.906 2.194 . 0 0 "[ . 1 . 2]" 1
734 1 39 ILE MG 1 44 GLN HB3 . . 3.400 2.034 1.884 2.287 . 0 0 "[ . 1 . 2]" 1
735 1 39 ILE QG 1 39 ILE MG . . 3.140 2.130 2.120 2.141 . 0 0 "[ . 1 . 2]" 1
736 1 37 GLU H 1 39 ILE MD . . 4.300 4.688 4.549 4.942 0.642 14 1 "[ . 1 +. 2]" 1
737 1 47 ILE MD 1 72 LEU HA . . 5.120 4.975 4.349 5.339 0.219 7 0 "[ . 1 . 2]" 1
738 1 38 GLY HA2 1 39 ILE MD . . 4.110 4.168 4.085 4.284 0.174 17 0 "[ . 1 . 2]" 1
739 1 39 ILE HA 1 39 ILE MD . . 3.390 2.829 2.653 2.947 . 0 0 "[ . 1 . 2]" 1
740 1 37 GLU HA 1 39 ILE MD . . 4.060 4.108 3.986 4.255 0.195 14 0 "[ . 1 . 2]" 1
741 1 39 ILE MD 1 40 PRO HD2 . . 4.780 4.541 4.266 4.661 . 0 0 "[ . 1 . 2]" 1
742 1 34 GLN HA 1 39 ILE MD . . 4.260 4.754 4.622 4.883 0.623 14 11 "[***-. * * *+.* **2]" 1
743 1 37 GLU HB3 1 39 ILE MD . . 3.840 3.923 3.665 4.209 0.369 14 0 "[ . 1 . 2]" 1
744 1 37 GLU HG2 1 39 ILE MD . . 3.580 3.632 3.523 3.966 0.386 14 0 "[ . 1 . 2]" 1
745 1 37 GLU HG3 1 39 ILE MD . . 3.340 2.153 2.022 2.498 . 0 0 "[ . 1 . 2]" 1
746 1 39 ILE HB 1 39 ILE MD . . 2.750 2.471 2.439 2.519 . 0 0 "[ . 1 . 2]" 1
747 1 37 GLU HB2 1 39 ILE MD . . 2.950 2.614 2.310 2.840 . 0 0 "[ . 1 . 2]" 1
748 1 37 GLU HA 1 38 GLY H . . 3.530 3.485 3.468 3.507 . 0 0 "[ . 1 . 2]" 1
749 1 37 GLU HA 1 39 ILE H . . 5.210 4.936 4.795 5.141 . 0 0 "[ . 1 . 2]" 1
750 1 37 GLU HA 1 38 GLY HA3 . . 4.610 4.520 4.464 4.547 . 0 0 "[ . 1 . 2]" 1
751 1 37 GLU HA 1 37 GLU HB3 . . 2.850 2.452 2.393 2.492 . 0 0 "[ . 1 . 2]" 1
752 1 37 GLU HA 1 37 GLU HG3 . . 3.900 3.793 3.748 3.824 . 0 0 "[ . 1 . 2]" 1
753 1 36 LYS HB2 1 37 GLU HA . . 4.410 4.413 4.236 4.526 0.116 13 0 "[ . 1 . 2]" 1
754 1 37 GLU HA 1 37 GLU HB2 . . 2.960 2.426 2.391 2.465 . 0 0 "[ . 1 . 2]" 1
755 1 16 ILE QG 1 37 GLU HA . . 5.000 4.456 4.302 4.678 . 0 0 "[ . 1 . 2]" 1
756 1 53 LEU HB2 1 54 GLU HA . . 5.380 5.126 4.822 5.225 . 0 0 "[ . 1 . 2]" 1
757 1 16 ILE MG 1 37 GLU HA . . 5.170 4.870 4.553 5.059 . 0 0 "[ . 1 . 2]" 1
758 1 36 LYS H 1 37 GLU HB3 . . 5.500 5.448 5.319 5.520 0.020 14 0 "[ . 1 . 2]" 1
759 1 41 PRO HB3 1 44 GLN H . . 5.500 5.719 5.483 5.997 0.497 6 0 "[ . 1 . 2]" 1
760 1 37 GLU HB3 1 39 ILE H . . 5.030 4.951 4.763 5.149 0.119 7 0 "[ . 1 . 2]" 1
761 1 37 GLU HB2 1 39 ILE HB . . 4.870 4.538 4.317 4.846 . 0 0 "[ . 1 . 2]" 1
762 1 14 LYS HG2 1 37 GLU HB3 . . 4.680 4.990 4.650 5.127 0.447 13 0 "[ . 1 . 2]" 1
763 1 16 ILE QG 1 37 GLU HB3 . . 4.400 2.504 2.317 2.697 . 0 0 "[ . 1 . 2]" 1
764 1 16 ILE MG 1 37 GLU HB3 . . 4.600 3.630 3.344 3.888 . 0 0 "[ . 1 . 2]" 1
765 1 16 ILE MD 1 37 GLU HB3 . . 4.120 3.567 3.305 3.878 . 0 0 "[ . 1 . 2]" 1
766 1 16 ILE QG 1 37 GLU HB2 . . 4.570 3.834 3.625 4.060 . 0 0 "[ . 1 . 2]" 1
767 1 21 GLU QG 1 24 ASP H . . 4.110 4.362 4.050 4.662 0.552 7 1 "[ . + 1 . 2]" 1
768 1 36 LYS H 1 37 GLU HG3 . . 5.220 5.313 5.034 5.460 0.240 3 0 "[ . 1 . 2]" 1
769 1 21 GLU QG 1 23 SER H . . 4.560 4.577 4.383 4.732 0.172 7 0 "[ . 1 . 2]" 1
770 1 19 GLU HA 1 19 GLU HG3 . . 4.180 3.105 2.536 3.889 . 0 0 "[ . 1 . 2]" 1
771 1 19 GLU HA 1 19 GLU HG2 . . 4.180 2.933 2.502 3.818 . 0 0 "[ . 1 . 2]" 1
772 1 20 VAL HA 1 21 GLU QG . . 3.880 3.346 3.042 3.630 . 0 0 "[ . 1 . 2]" 1
773 1 37 GLU HA 1 37 GLU HG2 . . 3.970 3.866 3.831 3.914 . 0 0 "[ . 1 . 2]" 1
774 1 37 GLU HG3 1 38 GLY HA3 . . 4.560 4.522 4.398 4.628 0.068 8 0 "[ . 1 . 2]" 1
775 1 34 GLN HA 1 37 GLU HG3 . . 4.040 4.106 3.826 4.308 0.268 8 0 "[ . 1 . 2]" 1
776 1 21 GLU QG 1 22 PRO QD . . 4.550 3.881 3.715 4.309 . 0 0 "[ . 1 . 2]" 1
777 1 20 VAL QG 1 21 GLU QG . . 4.890 4.011 3.832 4.180 . 0 0 "[ . 1 . 2]" 1
778 1 16 ILE MG 1 37 GLU HG3 . . 4.500 4.873 4.649 5.006 0.506 9 1 "[ . +1 . 2]" 1
779 1 16 ILE MG 1 37 GLU HG2 . . 4.180 3.378 3.171 3.517 . 0 0 "[ . 1 . 2]" 1
780 1 33 ILE MG 1 37 GLU HG2 . . 3.450 2.101 1.866 2.266 . 0 0 "[ . 1 . 2]" 1
781 1 16 ILE QG 1 37 GLU HG2 . . 4.480 2.830 2.594 3.040 . 0 0 "[ . 1 . 2]" 1
782 1 37 GLU HG3 1 39 ILE HB . . 4.420 2.421 2.211 2.619 . 0 0 "[ . 1 . 2]" 1
783 1 37 GLU HG2 1 39 ILE HB . . 5.350 3.621 3.418 3.955 . 0 0 "[ . 1 . 2]" 1
784 1 21 GLU QG 1 24 ASP HB3 . . 4.910 4.110 3.870 4.320 . 0 0 "[ . 1 . 2]" 1
785 1 14 LYS QE 1 37 GLU HG2 . . 5.140 4.215 3.896 4.568 . 0 0 "[ . 1 . 2]" 1
786 1 35 ASP H 1 36 LYS HA . . 5.170 5.231 5.127 5.298 0.128 9 0 "[ . 1 . 2]" 1
787 1 36 LYS HA 1 38 GLY H . . 4.950 4.753 4.630 4.852 . 0 0 "[ . 1 . 2]" 1
788 1 16 ILE MG 1 36 LYS HA . . 4.650 4.448 4.389 4.568 . 0 0 "[ . 1 . 2]" 1
789 1 36 LYS HA 1 36 LYS HB3 . . 2.760 2.488 2.426 2.531 . 0 0 "[ . 1 . 2]" 1
790 1 36 LYS HA 1 36 LYS QD . . 2.930 2.173 2.020 2.298 . 0 0 "[ . 1 . 2]" 1
791 1 36 LYS HA 1 36 LYS HG2 . . 3.250 3.150 3.036 3.367 0.117 11 0 "[ . 1 . 2]" 1
792 1 35 ASP HB3 1 36 LYS HA . . 4.270 4.549 4.395 4.776 0.506 18 1 "[ . 1 . + 2]" 1
793 1 34 GLN H 1 34 GLN HG2 . . 5.240 4.501 4.459 4.549 . 0 0 "[ . 1 . 2]" 1
794 1 36 LYS HB3 1 38 GLY H . . 5.380 5.316 5.177 5.422 0.042 9 0 "[ . 1 . 2]" 1
795 1 36 LYS HB3 1 36 LYS QE . . 5.020 4.079 4.041 4.129 . 0 0 "[ . 1 . 2]" 1
796 1 36 LYS HB2 1 36 LYS QE . . 4.700 4.308 4.282 4.328 . 0 0 "[ . 1 . 2]" 1
797 1 33 ILE HA 1 36 LYS HB3 . . 4.510 4.515 4.368 4.746 0.236 6 0 "[ . 1 . 2]" 1
798 1 35 ASP HB3 1 36 LYS HB2 . . 5.500 4.973 4.754 5.196 . 0 0 "[ . 1 . 2]" 1
799 1 30 LYS HB3 1 30 LYS QD . . 3.810 2.902 2.833 2.943 . 0 0 "[ . 1 . 2]" 1
800 1 36 LYS HB2 1 36 LYS QD . . 3.510 3.369 3.357 3.384 . 0 0 "[ . 1 . 2]" 1
801 1 18 LEU MD1 1 36 LYS HB2 . . 4.120 3.329 3.174 3.592 . 0 0 "[ . 1 . 2]" 1
802 1 36 LYS HG2 1 37 GLU H . . 4.060 4.205 3.971 4.353 0.293 13 0 "[ . 1 . 2]" 1
803 1 9 LYS QG 1 13 GLY HA3 . . 5.060 4.566 3.941 4.980 . 0 0 "[ . 1 . 2]" 1
804 1 36 LYS QE 1 36 LYS HG2 . . 3.420 2.391 2.311 2.452 . 0 0 "[ . 1 . 2]" 1
805 1 32 LYS QB 1 36 LYS HG2 . . 4.720 3.415 3.217 3.622 . 0 0 "[ . 1 . 2]" 1
806 1 36 LYS QD 1 36 LYS HG3 . . 2.660 2.345 2.312 2.369 . 0 0 "[ . 1 . 2]" 1
807 1 18 LEU HA 1 36 LYS QD . . 4.530 4.216 4.095 4.423 . 0 0 "[ . 1 . 2]" 1
808 1 16 ILE HA 1 36 LYS QD . . 4.800 5.083 5.012 5.182 0.382 12 0 "[ . 1 . 2]" 1
809 1 36 LYS HB3 1 36 LYS QD . . 3.220 2.486 2.434 2.554 . 0 0 "[ . 1 . 2]" 1
810 1 18 LEU MD1 1 36 LYS QD . . 3.720 3.665 3.554 3.796 0.076 8 0 "[ . 1 . 2]" 1
811 1 35 ASP HA 1 37 GLU H . . 5.500 5.696 5.606 5.769 0.269 18 0 "[ . 1 . 2]" 1
812 1 35 ASP HA 1 38 GLY H . . 4.510 4.930 4.767 5.021 0.511 18 3 "[ .- 1* . + 2]" 1
813 1 35 ASP HA 1 36 LYS H . . 3.430 3.526 3.505 3.551 0.121 3 0 "[ . 1 . 2]" 1
814 1 35 ASP HA 1 35 ASP HB2 . . 2.870 2.438 2.376 2.505 . 0 0 "[ . 1 . 2]" 1
815 1 35 ASP HA 1 35 ASP HB3 . . 2.980 3.045 3.033 3.054 0.074 11 0 "[ . 1 . 2]" 1
816 1 32 LYS QB 1 35 ASP HB3 . . 4.720 3.461 3.180 3.879 . 0 0 "[ . 1 . 2]" 1
817 1 35 ASP HB3 1 36 LYS HG2 . . 3.830 3.193 2.966 3.338 . 0 0 "[ . 1 . 2]" 1
818 1 34 GLN HB3 1 35 ASP HB2 . . 4.280 4.483 4.213 4.684 0.404 3 0 "[ . 1 . 2]" 1
819 1 34 GLN HG2 1 35 ASP HB2 . . 5.300 5.154 4.904 5.483 0.183 17 0 "[ . 1 . 2]" 1
820 1 35 ASP HB2 1 36 LYS HG2 . . 4.550 4.911 4.713 5.040 0.490 9 0 "[ . 1 . 2]" 1
821 1 18 LEU MD1 1 35 ASP HB2 . . 5.430 5.609 5.422 5.857 0.427 2 0 "[ . 1 . 2]" 1
822 1 18 LEU MD1 1 35 ASP HB3 . . 5.030 4.234 4.012 4.458 . 0 0 "[ . 1 . 2]" 1
823 1 34 GLN HA 1 38 GLY H . . 3.790 2.903 2.683 3.107 . 0 0 "[ . 1 . 2]" 1
824 1 34 GLN HA 1 34 GLN QE . . 4.810 4.485 4.238 4.523 . 0 0 "[ . 1 . 2]" 1
825 1 34 GLN HA 1 40 PRO HA . . 4.270 4.046 3.656 4.397 0.127 11 0 "[ . 1 . 2]" 1
826 1 34 GLN HA 1 39 ILE HA . . 4.300 4.376 4.221 4.539 0.239 20 0 "[ . 1 . 2]" 1
827 1 34 GLN HA 1 38 GLY HA2 . . 3.690 3.206 2.770 3.684 . 0 0 "[ . 1 . 2]" 1
828 1 34 GLN HA 1 34 GLN HG3 . . 3.320 2.607 2.522 2.705 . 0 0 "[ . 1 . 2]" 1
829 1 34 GLN HA 1 37 GLU HG2 . . 4.230 4.341 4.037 4.548 0.318 17 0 "[ . 1 . 2]" 1
830 1 34 GLN HA 1 34 GLN HG2 . . 3.530 3.165 3.059 3.245 . 0 0 "[ . 1 . 2]" 1
831 1 34 GLN HA 1 35 ASP HB2 . . 5.500 5.891 5.735 5.996 0.496 3 0 "[ . 1 . 2]" 1
832 1 34 GLN HA 1 39 ILE HB . . 3.950 4.286 4.179 4.389 0.439 3 0 "[ . 1 . 2]" 1
833 1 33 ILE MG 1 34 GLN HA . . 3.750 3.328 3.144 3.820 0.070 9 0 "[ . 1 . 2]" 1
834 1 33 ILE MG 1 34 GLN HB3 . . 5.140 4.939 4.651 5.427 0.287 9 0 "[ . 1 . 2]" 1
835 1 36 LYS HB2 1 38 GLY H . . 4.170 4.320 4.200 4.414 0.244 13 0 "[ . 1 . 2]" 1
836 1 19 GLU H 1 32 LYS QB . . 4.370 3.509 3.261 3.890 . 0 0 "[ . 1 . 2]" 1
837 1 12 THR HB 1 14 LYS QB . . 4.720 4.365 3.701 4.734 0.014 4 0 "[ . 1 . 2]" 1
838 1 34 GLN HG2 1 40 PRO HA . . 5.310 3.936 3.789 4.248 . 0 0 "[ . 1 . 2]" 1
839 1 34 GLN HG2 1 41 PRO QD . . 5.180 4.380 4.202 4.936 . 0 0 "[ . 1 . 2]" 1
840 1 18 LEU MD1 1 32 LYS QB . . 3.970 1.893 1.819 2.025 . 0 0 "[ . 1 . 2]" 1
841 1 32 LYS H 1 33 ILE HA . . 5.500 5.283 5.217 5.383 . 0 0 "[ . 1 . 2]" 1
842 1 33 ILE HA 1 37 GLU H . . 4.110 3.500 3.314 3.640 . 0 0 "[ . 1 . 2]" 1
843 1 33 ILE HA 1 35 ASP H . . 4.260 4.154 4.015 4.292 0.032 19 0 "[ . 1 . 2]" 1
844 1 33 ILE HA 1 36 LYS HA . . 5.470 5.437 5.301 5.703 0.233 6 0 "[ . 1 . 2]" 1
845 1 32 LYS HA 1 33 ILE HA . . 4.970 4.870 4.795 4.914 . 0 0 "[ . 1 . 2]" 1
846 1 33 ILE HA 1 37 GLU HG2 . . 3.820 3.602 3.196 3.913 0.093 9 0 "[ . 1 . 2]" 1
847 1 33 ILE HA 1 33 ILE HG13 . . 3.070 2.395 2.268 2.888 . 0 0 "[ . 1 . 2]" 1
848 1 33 ILE HA 1 36 LYS HB2 . . 3.460 2.828 2.685 3.087 . 0 0 "[ . 1 . 2]" 1
849 1 33 ILE HA 1 36 LYS HG3 . . 4.060 3.752 3.468 4.108 0.048 17 0 "[ . 1 . 2]" 1
850 1 33 ILE HA 1 36 LYS HG2 . . 4.210 3.488 3.066 3.917 . 0 0 "[ . 1 . 2]" 1
851 1 18 LEU HG 1 33 ILE HA . . 4.350 4.533 4.365 4.794 0.444 7 0 "[ . 1 . 2]" 1
852 1 33 ILE HA 1 35 ASP HB3 . . 5.500 4.979 4.849 5.117 . 0 0 "[ . 1 . 2]" 1
853 1 16 ILE MG 1 33 ILE HA . . 3.060 2.165 1.997 2.429 . 0 0 "[ . 1 . 2]" 1
854 1 18 LEU MD1 1 33 ILE HA . . 2.630 2.348 2.144 2.627 . 0 0 "[ . 1 . 2]" 1
855 1 20 VAL HB 1 24 ASP H . . 5.090 4.960 4.727 5.338 0.248 12 0 "[ . 1 . 2]" 1
856 1 31 ALA HA 1 33 ILE HB . . 5.500 5.169 4.941 5.429 . 0 0 "[ . 1 . 2]" 1
857 1 33 ILE HB 1 41 PRO HA . . 5.500 5.130 4.748 5.469 . 0 0 "[ . 1 . 2]" 1
858 1 33 ILE HB 1 34 GLN HA . . 5.320 4.728 4.576 4.874 . 0 0 "[ . 1 . 2]" 1
859 1 30 LYS HB2 1 33 ILE HB . . 4.540 4.046 3.657 4.367 . 0 0 "[ . 1 . 2]" 1
860 1 33 ILE H 1 33 ILE HG12 . . 4.380 4.092 3.532 4.203 . 0 0 "[ . 1 . 2]" 1
861 1 33 ILE HG12 1 34 GLN H . . 5.390 5.234 5.092 5.327 . 0 0 "[ . 1 . 2]" 1
862 1 30 LYS HA 1 33 ILE HG12 . . 5.500 3.965 3.672 4.215 . 0 0 "[ . 1 . 2]" 1
863 1 33 ILE HA 1 33 ILE HG12 . . 4.150 3.525 2.546 3.672 . 0 0 "[ . 1 . 2]" 1
864 1 18 LEU MD1 1 33 ILE HG13 . . 3.540 2.533 2.213 3.024 . 0 0 "[ . 1 . 2]" 1
865 1 33 ILE H 1 33 ILE MG . . 3.870 3.804 3.739 3.867 . 0 0 "[ . 1 . 2]" 1
866 1 47 ILE MG 1 51 LYS HA . . 3.800 3.759 3.448 4.164 0.364 2 0 "[ . 1 . 2]" 1
867 1 33 ILE HA 1 33 ILE MG . . 3.030 2.679 2.509 2.810 . 0 0 "[ . 1 . 2]" 1
868 1 8 VAL H 1 33 ILE MD . . 5.500 5.000 4.689 5.318 . 0 0 "[ . 1 . 2]" 1
869 1 31 ALA H 1 33 ILE MD . . 4.970 4.708 4.601 4.972 0.002 9 0 "[ . 1 . 2]" 1
870 1 33 ILE MD 1 34 GLN H . . 4.250 4.245 4.010 4.664 0.414 9 0 "[ . 1 . 2]" 1
871 1 33 ILE MD 1 46 LEU HA . . 5.420 5.214 4.632 5.581 0.161 7 0 "[ . 1 . 2]" 1
872 1 33 ILE HA 1 33 ILE MD . . 3.370 3.102 2.803 3.838 0.468 3 0 "[ . 1 . 2]" 1
873 1 33 ILE HB 1 33 ILE MD . . 3.120 2.388 2.359 2.430 . 0 0 "[ . 1 . 2]" 1
874 1 32 LYS QB 1 33 ILE MD . . 3.820 3.260 2.945 4.700 0.880 9 2 "[ - . +1 . 2]" 1
875 1 18 LEU HG 1 33 ILE MD . . 3.280 2.485 2.242 3.469 0.189 3 0 "[ . 1 . 2]" 1
876 1 18 LEU MD2 1 33 ILE MD . . 2.710 2.392 2.138 2.961 0.251 3 0 "[ . 1 . 2]" 1
877 1 18 LEU MD1 1 32 LYS HA . . 3.790 3.712 3.632 3.790 0.000 9 0 "[ . 1 . 2]" 1
878 1 6 ILE HA 1 64 ILE MG . . 5.480 5.196 5.053 5.480 . 0 0 "[ . 1 . 2]" 1
879 1 32 LYS HA 1 33 ILE MD . . 5.120 5.139 4.893 6.343 1.223 9 2 "[ - . +1 . 2]" 1
880 1 6 ILE HA 1 6 ILE HB . . 2.980 2.548 2.515 2.580 . 0 0 "[ . 1 . 2]" 1
881 1 31 ALA MB 1 32 LYS HA . . 4.010 3.988 3.918 4.063 0.053 10 0 "[ . 1 . 2]" 1
882 1 32 LYS HA 1 32 LYS HD3 . . 3.580 2.242 1.976 2.847 . 0 0 "[ . 1 . 2]" 1
883 1 6 ILE HA 1 67 GLU HB2 . . 5.200 5.304 4.879 5.642 0.442 5 0 "[ . 1 . 2]" 1
884 1 32 LYS HA 1 35 ASP HB2 . . 3.250 2.805 2.570 3.342 0.092 3 0 "[ . 1 . 2]" 1
885 1 32 LYS HA 1 35 ASP HB3 . . 3.850 2.116 1.866 2.595 . 0 0 "[ . 1 . 2]" 1
886 1 32 LYS HA 1 32 LYS QE . . 4.040 3.318 2.307 4.200 0.160 19 0 "[ . 1 . 2]" 1
887 1 5 GLN HA 1 6 ILE HA . . 4.610 4.465 4.434 4.545 . 0 0 "[ . 1 . 2]" 1
888 1 6 ILE HA 1 7 PHE HA . . 4.580 4.396 4.359 4.432 . 0 0 "[ . 1 . 2]" 1
889 1 32 LYS HA 1 36 LYS H . . 5.140 4.332 4.076 4.587 . 0 0 "[ . 1 . 2]" 1
890 1 32 LYS QB 1 33 ILE H . . 3.670 2.798 2.680 2.958 . 0 0 "[ . 1 . 2]" 1
891 1 32 LYS QB 1 32 LYS QE . . 4.200 3.610 3.355 3.913 . 0 0 "[ . 1 . 2]" 1
892 1 32 LYS QB 1 36 LYS QE . . 5.500 3.102 2.756 3.464 . 0 0 "[ . 1 . 2]" 1
893 1 29 VAL HA 1 32 LYS QB . . 3.690 2.876 2.632 3.127 . 0 0 "[ . 1 . 2]" 1
894 1 18 LEU HG 1 32 LYS QB . . 4.400 2.602 2.368 2.910 . 0 0 "[ . 1 . 2]" 1
895 1 32 LYS H 1 32 LYS HD2 . . 4.570 4.665 4.361 4.898 0.328 10 0 "[ . 1 . 2]" 1
896 1 18 LEU HA 1 19 GLU HB2 . . 4.700 4.541 4.346 4.831 0.131 6 0 "[ . 1 . 2]" 1
897 1 32 LYS HA 1 32 LYS HD2 . . 4.070 3.502 2.913 4.157 0.087 20 0 "[ . 1 . 2]" 1
898 1 29 VAL HA 1 32 LYS HD2 . . 5.060 5.300 4.693 5.757 0.697 9 7 "[* *. +1 ** .-* 2]" 1
899 1 20 VAL QG 1 32 LYS HD2 . . 3.640 3.207 2.260 3.908 0.268 9 0 "[ . 1 . 2]" 1
900 1 32 LYS QE 1 32 LYS HG2 . . 3.150 2.372 2.262 2.763 . 0 0 "[ . 1 . 2]" 1
901 1 20 VAL QG 1 32 LYS QE . . 3.590 3.081 2.285 3.664 0.074 6 0 "[ . 1 . 2]" 1
902 1 31 ALA HA 1 34 GLN QE . . 4.730 2.720 2.310 3.227 . 0 0 "[ . 1 . 2]" 1
903 1 31 ALA HA 1 33 ILE H . . 4.690 4.488 4.249 4.596 . 0 0 "[ . 1 . 2]" 1
904 1 31 ALA HA 1 41 PRO QD . . 3.940 3.298 2.741 3.699 . 0 0 "[ . 1 . 2]" 1
905 1 31 ALA HA 1 34 GLN HB2 . . 3.740 3.500 3.239 3.794 0.054 6 0 "[ . 1 . 2]" 1
906 1 31 ALA HA 1 41 PRO HB3 . . 3.900 4.026 3.622 4.319 0.419 18 0 "[ . 1 . 2]" 1
907 1 31 ALA HA 1 41 PRO HG3 . . 3.770 3.913 3.188 4.468 0.698 15 1 "[ . 1 + 2]" 1
908 1 31 ALA HA 1 34 GLN HB3 . . 3.520 2.859 2.550 3.171 . 0 0 "[ . 1 . 2]" 1
909 1 31 ALA HA 1 33 ILE MD . . 5.250 5.646 5.469 6.011 0.761 3 2 "[ + . -1 . 2]" 1
910 1 30 LYS HA 1 33 ILE H . . 3.940 3.002 2.814 3.105 . 0 0 "[ . 1 . 2]" 1
911 1 29 VAL H 1 30 LYS HA . . 5.500 5.424 5.374 5.478 . 0 0 "[ . 1 . 2]" 1
912 1 30 LYS HA 1 34 GLN H . . 5.090 4.355 4.177 4.514 . 0 0 "[ . 1 . 2]" 1
913 1 30 LYS HA 1 33 ILE HA . . 5.500 5.088 4.760 5.331 . 0 0 "[ . 1 . 2]" 1
914 1 30 LYS HA 1 31 ALA HA . . 5.460 4.863 4.829 4.908 . 0 0 "[ . 1 . 2]" 1
915 1 30 LYS HA 1 41 PRO HA . . 5.500 5.059 4.755 5.318 . 0 0 "[ . 1 . 2]" 1
916 1 30 LYS HA 1 30 LYS QE . . 4.530 4.250 4.189 4.333 . 0 0 "[ . 1 . 2]" 1
917 1 30 LYS HA 1 44 GLN QG . . 5.470 4.649 4.018 5.210 . 0 0 "[ . 1 . 2]" 1
918 1 30 LYS HA 1 33 ILE HB . . 3.450 2.679 2.273 3.067 . 0 0 "[ . 1 . 2]" 1
919 1 30 LYS HA 1 32 LYS QB . . 5.040 4.742 4.588 4.899 . 0 0 "[ . 1 . 2]" 1
920 1 30 LYS HA 1 33 ILE MD . . 3.300 1.914 1.803 2.086 . 0 0 "[ . 1 . 2]" 1
921 1 30 LYS HA 1 46 LEU MD2 . . 3.160 2.660 2.372 3.085 . 0 0 "[ . 1 . 2]" 1
922 1 29 VAL MG2 1 30 LYS HA . . 5.470 5.426 5.360 5.476 0.006 2 0 "[ . 1 . 2]" 1
923 1 30 LYS HB3 1 41 PRO HA . . 4.550 4.844 4.510 5.078 0.528 11 2 "[ . 1+ - . 2]" 1
924 1 27 GLU HA 1 30 LYS HB3 . . 4.890 4.389 4.003 4.963 0.073 14 0 "[ . 1 . 2]" 1
925 1 30 LYS QD 1 41 PRO HA . . 5.080 3.495 3.107 3.951 . 0 0 "[ . 1 . 2]" 1
926 1 30 LYS H 1 30 LYS QE . . 4.140 3.519 3.423 3.597 . 0 0 "[ . 1 . 2]" 1
927 1 30 LYS QE 1 54 GLU HA . . 5.500 5.240 4.728 5.519 0.019 18 0 "[ . 1 . 2]" 1
928 1 30 LYS QE 1 41 PRO HA . . 5.290 5.175 4.835 5.481 0.191 14 0 "[ . 1 . 2]" 1
929 1 30 LYS QE 1 41 PRO HB3 . . 5.210 4.520 4.366 4.728 . 0 0 "[ . 1 . 2]" 1
930 1 27 GLU HB2 1 30 LYS QE . . 5.070 4.190 3.668 4.765 . 0 0 "[ . 1 . 2]" 1
931 1 30 LYS HB3 1 30 LYS QE . . 4.390 1.973 1.911 2.050 . 0 0 "[ . 1 . 2]" 1
932 1 26 ILE MD 1 30 LYS QE . . 5.500 4.708 4.533 4.889 . 0 0 "[ . 1 . 2]" 1
933 1 30 LYS QE 1 46 LEU MD2 . . 4.260 2.363 2.064 2.851 . 0 0 "[ . 1 . 2]" 1
934 1 29 VAL HA 1 29 VAL MG2 . . 2.980 2.474 2.434 2.508 . 0 0 "[ . 1 . 2]" 1
935 1 20 VAL QG 1 29 VAL HA . . 3.060 2.488 2.119 2.811 . 0 0 "[ . 1 . 2]" 1
936 1 18 LEU QB 1 29 VAL HA . . 4.660 3.675 3.348 3.960 . 0 0 "[ . 1 . 2]" 1
937 1 6 ILE QG 1 29 VAL HA . . 5.180 5.251 4.963 5.466 0.286 9 0 "[ . 1 . 2]" 1
938 1 18 LEU HG 1 29 VAL HA . . 3.750 3.546 3.237 3.887 0.137 18 0 "[ . 1 . 2]" 1
939 1 29 VAL HA 1 32 LYS HG2 . . 3.440 2.769 2.413 3.023 . 0 0 "[ . 1 . 2]" 1
940 1 29 VAL HA 1 32 LYS HG3 . . 3.680 3.257 2.635 3.607 . 0 0 "[ . 1 . 2]" 1
941 1 29 VAL HA 1 32 LYS QE . . 4.600 4.544 4.245 4.921 0.321 3 0 "[ . 1 . 2]" 1
942 1 28 ASN QB 1 29 VAL HA . . 4.070 3.995 3.900 4.067 . 0 0 "[ . 1 . 2]" 1
943 1 26 ILE HA 1 29 VAL HA . . 5.140 5.051 4.880 5.215 0.075 3 0 "[ . 1 . 2]" 1
944 1 29 VAL HA 1 33 ILE H . . 4.930 4.582 4.402 4.727 . 0 0 "[ . 1 . 2]" 1
945 1 28 ASN H 1 29 VAL HB . . 4.780 4.748 4.586 4.866 0.086 14 0 "[ . 1 . 2]" 1
946 1 28 ASN QB 1 29 VAL HB . . 5.350 4.883 4.802 4.951 . 0 0 "[ . 1 . 2]" 1
947 1 29 VAL HB 1 59 LEU QD . . 4.640 3.499 3.355 3.630 . 0 0 "[ . 1 . 2]" 1
948 1 29 VAL HB 1 46 LEU MD2 . . 4.870 4.355 2.364 5.059 0.189 11 0 "[ . 1 . 2]" 1
949 1 29 VAL HB 1 30 LYS QG . . 4.800 4.328 4.097 4.583 . 0 0 "[ . 1 . 2]" 1
950 1 29 VAL HB 1 46 LEU HG . . 5.340 4.009 3.471 4.951 . 0 0 "[ . 1 . 2]" 1
951 1 29 VAL MG1 1 33 ILE H . . 4.530 4.205 4.106 4.357 . 0 0 "[ . 1 . 2]" 1
952 1 29 VAL H 1 29 VAL MG1 . . 3.800 3.856 3.846 3.869 0.069 14 0 "[ . 1 . 2]" 1
953 1 29 VAL MG1 1 30 LYS HA . . 3.960 3.494 3.445 3.612 . 0 0 "[ . 1 . 2]" 1
954 1 29 VAL HA 1 29 VAL MG1 . . 3.010 2.483 2.443 2.513 . 0 0 "[ . 1 . 2]" 1
955 1 26 ILE HA 1 29 VAL MG1 . . 4.320 3.873 3.645 4.060 . 0 0 "[ . 1 . 2]" 1
956 1 29 VAL MG1 1 32 LYS QB . . 3.840 3.590 3.449 3.715 . 0 0 "[ . 1 . 2]" 1
957 1 29 VAL MG1 1 59 LEU HG . . 4.060 4.100 3.855 4.409 0.349 3 0 "[ . 1 . 2]" 1
958 1 18 LEU HG 1 29 VAL MG1 . . 3.320 2.439 2.229 2.636 . 0 0 "[ . 1 . 2]" 1
959 1 28 ASN HA 1 30 LYS H . . 4.840 4.512 4.404 4.693 . 0 0 "[ . 1 . 2]" 1
960 1 28 ASN HA 1 28 ASN QD . . 3.740 3.206 2.561 3.725 . 0 0 "[ . 1 . 2]" 1
961 1 28 ASN HA 1 29 VAL HA . . 5.070 4.908 4.873 4.924 . 0 0 "[ . 1 . 2]" 1
962 1 28 ASN HA 1 32 LYS QE . . 4.030 3.785 3.307 4.682 0.652 16 2 "[ . 1 - .+ 2]" 1
963 1 27 GLU HB3 1 28 ASN HA . . 4.440 4.336 4.161 4.461 0.021 11 0 "[ . 1 . 2]" 1
964 1 28 ASN HA 1 31 ALA MB . . 2.690 2.530 2.394 2.672 . 0 0 "[ . 1 . 2]" 1
965 1 28 ASN HA 1 29 VAL MG2 . . 5.210 5.031 4.966 5.074 . 0 0 "[ . 1 . 2]" 1
966 1 27 GLU HA 1 31 ALA H . . 4.930 4.393 4.292 4.494 . 0 0 "[ . 1 . 2]" 1
967 1 27 GLU HA 1 28 ASN HA . . 4.990 4.796 4.759 4.837 . 0 0 "[ . 1 . 2]" 1
968 1 27 GLU HA 1 28 ASN QB . . 5.500 5.196 5.156 5.242 . 0 0 "[ . 1 . 2]" 1
969 1 27 GLU HA 1 30 LYS QE . . 3.950 2.411 1.927 2.927 . 0 0 "[ . 1 . 2]" 1
970 1 26 ILE HB 1 27 GLU HA . . 4.630 4.326 4.252 4.383 . 0 0 "[ . 1 . 2]" 1
971 1 27 GLU HA 1 27 GLU HG2 . . 3.890 3.149 2.525 3.851 . 0 0 "[ . 1 . 2]" 1
972 1 27 GLU HA 1 27 GLU HG3 . . 3.890 2.786 2.506 3.765 . 0 0 "[ . 1 . 2]" 1
973 1 27 GLU HA 1 30 LYS QD . . 3.580 2.647 2.425 2.956 . 0 0 "[ . 1 . 2]" 1
974 1 27 GLU HA 1 30 LYS QG . . 3.690 2.289 2.036 2.652 . 0 0 "[ . 1 . 2]" 1
975 1 26 ILE MG 1 27 GLU HA . . 3.700 3.573 3.468 3.794 0.094 2 0 "[ . 1 . 2]" 1
976 1 27 GLU HB2 1 55 ASP HA . . 4.650 2.971 2.704 3.367 . 0 0 "[ . 1 . 2]" 1
977 1 27 GLU HB2 1 55 ASP HB3 . . 4.410 2.517 1.837 4.230 . 0 0 "[ . 1 . 2]" 1
978 1 25 THR H 1 26 ILE HA . . 5.120 4.655 4.447 5.277 0.157 18 0 "[ . 1 . 2]" 1
979 1 26 ILE HA 1 58 THR HA . . 4.860 4.487 4.342 4.641 . 0 0 "[ . 1 . 2]" 1
980 1 25 THR HA 1 26 ILE HA . . 4.480 4.335 4.212 4.431 . 0 0 "[ . 1 . 2]" 1
981 1 26 ILE HA 1 59 LEU HA . . 4.770 5.125 5.026 5.210 0.440 18 0 "[ . 1 . 2]" 1
982 1 26 ILE HA 1 55 ASP HA . . 5.130 4.859 4.601 5.009 . 0 0 "[ . 1 . 2]" 1
983 1 26 ILE HA 1 28 ASN QB . . 5.500 4.859 4.726 5.023 . 0 0 "[ . 1 . 2]" 1
984 1 26 ILE HA 1 29 VAL HB . . 3.260 2.565 2.240 2.808 . 0 0 "[ . 1 . 2]" 1
985 1 26 ILE HA 1 26 ILE QG . . 3.820 2.993 2.952 3.054 . 0 0 "[ . 1 . 2]" 1
986 1 26 ILE HA 1 30 LYS QG . . 5.370 4.991 4.807 5.105 . 0 0 "[ . 1 . 2]" 1
987 1 26 ILE HA 1 46 LEU HG . . 5.500 4.853 4.541 5.653 0.153 6 0 "[ . 1 . 2]" 1
988 1 26 ILE HA 1 53 LEU HB3 . . 5.500 4.978 4.710 5.317 . 0 0 "[ . 1 . 2]" 1
989 1 26 ILE HA 1 58 THR MG . . 5.280 5.892 5.746 6.054 0.774 3 18 "[**+ *-*************2]" 1
990 1 26 ILE HA 1 29 VAL MG2 . . 3.180 2.344 2.190 2.492 . 0 0 "[ . 1 . 2]" 1
991 1 26 ILE HA 1 26 ILE MG . . 2.960 2.526 2.487 2.566 . 0 0 "[ . 1 . 2]" 1
992 1 26 ILE HB 1 55 ASP H . . 5.500 4.347 4.199 4.420 . 0 0 "[ . 1 . 2]" 1
993 1 26 ILE HB 1 57 ARG H . . 5.230 3.936 3.722 4.024 . 0 0 "[ . 1 . 2]" 1
994 1 26 ILE HB 1 54 GLU HA . . 5.040 4.966 4.862 5.086 0.046 6 0 "[ . 1 . 2]" 1
995 1 26 ILE HB 1 55 ASP HA . . 4.070 2.358 2.118 2.579 . 0 0 "[ . 1 . 2]" 1
996 1 25 THR HA 1 26 ILE HB . . 5.220 4.773 4.715 4.884 . 0 0 "[ . 1 . 2]" 1
997 1 26 ILE MD 1 62 TYR H . . 3.900 4.236 4.116 4.368 0.468 5 0 "[ . 1 . 2]" 1
998 1 26 ILE H 1 26 ILE MD . . 3.280 3.275 2.962 3.385 0.105 17 0 "[ . 1 . 2]" 1
999 1 26 ILE HA 1 26 ILE MD . . 2.830 2.140 2.061 2.229 . 0 0 "[ . 1 . 2]" 1
1000 1 26 ILE MD 1 53 LEU HB3 . . 3.230 2.309 2.087 2.635 . 0 0 "[ . 1 . 2]" 1
1001 1 26 ILE MD 1 29 VAL HB . . 3.780 3.632 3.487 3.887 0.107 3 0 "[ . 1 . 2]" 1
1002 1 26 ILE MD 1 62 TYR QB . . 3.910 3.365 3.201 3.597 . 0 0 "[ . 1 . 2]" 1
1003 1 26 ILE MD 1 29 VAL MG2 . . 3.010 2.767 2.635 2.980 . 0 0 "[ . 1 . 2]" 1
1004 1 26 ILE MD 1 26 ILE MG . . 2.580 2.102 2.051 2.219 . 0 0 "[ . 1 . 2]" 1
1005 1 26 ILE MG 1 30 LYS H . . 4.330 3.790 3.638 3.988 . 0 0 "[ . 1 . 2]" 1
1006 1 26 ILE MG 1 29 VAL H . . 4.690 4.525 4.398 4.603 . 0 0 "[ . 1 . 2]" 1
1007 1 26 ILE MG 1 57 ARG H . . 4.960 4.998 4.773 5.084 0.124 9 0 "[ . 1 . 2]" 1
1008 1 26 ILE MG 1 54 GLU HA . . 3.900 4.082 3.848 4.264 0.364 9 0 "[ . 1 . 2]" 1
1009 1 26 ILE MG 1 53 LEU HA . . 4.240 3.865 3.537 4.218 . 0 0 "[ . 1 . 2]" 1
1010 1 26 ILE MG 1 30 LYS QE . . 3.170 1.941 1.746 2.089 . 0 0 "[ . 1 . 2]" 1
1011 1 26 ILE MG 1 29 VAL HB . . 3.460 3.278 3.125 3.509 0.049 4 0 "[ . 1 . 2]" 1
1012 1 26 ILE QG 1 26 ILE MG . . 3.210 2.339 2.299 2.358 . 0 0 "[ . 1 . 2]" 1
1013 1 26 ILE MG 1 46 LEU HB3 . . 3.330 3.192 3.027 3.422 0.092 14 0 "[ . 1 . 2]" 1
1014 1 26 ILE MG 1 53 LEU HB3 . . 3.150 2.338 2.081 2.637 . 0 0 "[ . 1 . 2]" 1
1015 1 26 ILE MG 1 30 LYS HB3 . . 4.020 3.390 3.084 3.685 . 0 0 "[ . 1 . 2]" 1
1016 1 26 ILE QG 1 57 ARG H . . 4.110 3.874 3.785 4.004 . 0 0 "[ . 1 . 2]" 1
1017 1 26 ILE QG 1 62 TYR H . . 5.470 5.043 4.854 5.191 . 0 0 "[ . 1 . 2]" 1
1018 1 26 ILE QG 1 55 ASP HA . . 4.860 4.135 3.936 4.348 . 0 0 "[ . 1 . 2]" 1
1019 1 26 ILE QG 1 53 LEU HB3 . . 4.470 2.407 2.145 2.630 . 0 0 "[ . 1 . 2]" 1
1020 1 26 ILE QG 1 53 LEU HB2 . . 4.700 3.709 3.397 4.078 . 0 0 "[ . 1 . 2]" 1
1021 1 21 GLU H 1 24 ASP HA . . 4.630 4.449 4.226 5.038 0.408 12 0 "[ . 1 . 2]" 1
1022 1 24 ASP HA 1 58 THR MG . . 4.170 4.018 3.614 4.180 0.010 5 0 "[ . 1 . 2]" 1
1023 1 24 ASP H 1 24 ASP HB3 . . 3.740 2.522 2.246 2.766 . 0 0 "[ . 1 . 2]" 1
1024 1 22 PRO HA 1 59 LEU H . . 4.140 3.939 3.737 4.269 0.129 18 0 "[ . 1 . 2]" 1
1025 1 22 PRO HA 1 24 ASP H . . 4.220 3.831 3.736 3.909 . 0 0 "[ . 1 . 2]" 1
1026 1 21 GLU H 1 22 PRO HA . . 5.500 5.554 5.462 5.672 0.172 8 0 "[ . 1 . 2]" 1
1027 1 22 PRO HA 1 65 GLN HA . . 4.330 4.167 3.629 4.561 0.231 16 0 "[ . 1 . 2]" 1
1028 1 22 PRO HA 1 23 SER HA . . 4.600 4.717 4.679 4.754 0.154 8 0 "[ . 1 . 2]" 1
1029 1 22 PRO HA 1 60 SER HA . . 4.570 4.868 4.409 5.188 0.618 12 1 "[ . 1 + . 2]" 1
1030 1 22 PRO HA 1 60 SER QB . . 3.640 3.865 3.392 4.771 1.131 13 3 "[ . 1 *+-. 2]" 1
1031 1 22 PRO HA 1 59 LEU QD . . 3.320 2.229 1.931 2.683 . 0 0 "[ . 1 . 2]" 1
1032 1 20 VAL QG 1 22 PRO HA . . 4.750 4.236 3.776 4.747 . 0 0 "[ . 1 . 2]" 1
1033 1 22 PRO HA 1 59 LEU HB2 . . 3.510 1.903 1.797 2.150 . 0 0 "[ . 1 . 2]" 1
1034 1 22 PRO HA 1 59 LEU HG . . 4.110 3.780 3.562 4.296 0.186 18 0 "[ . 1 . 2]" 1
1035 1 22 PRO HA 1 64 ILE HB . . 4.950 4.870 4.703 5.023 0.073 9 0 "[ . 1 . 2]" 1
1036 1 22 PRO HA 1 29 VAL MG2 . . 5.300 5.151 4.773 5.535 0.235 18 0 "[ . 1 . 2]" 1
1037 1 22 PRO HA 1 59 LEU HB3 . . 3.170 3.067 2.971 3.162 . 0 0 "[ . 1 . 2]" 1
1038 1 22 PRO HB3 1 23 SER H . . 4.490 4.286 4.177 4.451 . 0 0 "[ . 1 . 2]" 1
1039 1 22 PRO HG3 1 23 SER H . . 4.830 4.170 3.979 4.405 . 0 0 "[ . 1 . 2]" 1
1040 1 21 GLU HA 1 22 PRO HG2 . . 4.740 4.440 4.198 4.615 . 0 0 "[ . 1 . 2]" 1
1041 1 21 GLU HA 1 22 PRO HG3 . . 4.640 4.696 4.566 4.793 0.153 5 0 "[ . 1 . 2]" 1
1042 1 31 ALA MB 1 34 GLN HB3 . . 4.340 4.015 3.804 4.265 . 0 0 "[ . 1 . 2]" 1
1043 1 20 VAL QG 1 22 PRO QD . . 5.500 4.434 3.823 4.889 . 0 0 "[ . 1 . 2]" 1
1044 1 21 GLU HB2 1 22 PRO QD . . 3.850 3.626 3.385 3.894 0.044 12 0 "[ . 1 . 2]" 1
1045 1 21 GLU HB3 1 22 PRO QD . . 3.850 2.458 2.176 2.810 . 0 0 "[ . 1 . 2]" 1
1046 1 4 MET HG3 1 22 PRO QD . . 4.240 2.696 2.231 3.491 . 0 0 "[ . 1 . 2]" 1
1047 1 22 PRO QD 1 23 SER H . . 3.490 2.942 2.800 3.075 . 0 0 "[ . 1 . 2]" 1
1048 1 21 GLU HA 1 22 PRO QD . . 2.960 2.149 1.965 2.259 . 0 0 "[ . 1 . 2]" 1
1049 1 4 MET HG3 1 21 GLU HA . . 3.880 3.851 3.151 4.535 0.655 11 1 "[ . 1+ . 2]" 1
1050 1 21 GLU HA 1 21 GLU QG . . 3.180 2.656 2.538 2.996 . 0 0 "[ . 1 . 2]" 1
1051 1 4 MET HG2 1 21 GLU HA . . 3.290 3.038 2.473 3.531 0.241 11 0 "[ . 1 . 2]" 1
1052 1 21 GLU HB3 1 24 ASP H . . 4.880 3.902 3.604 4.331 . 0 0 "[ . 1 . 2]" 1
1053 1 21 GLU HB2 1 24 ASP H . . 4.880 2.580 2.247 3.000 . 0 0 "[ . 1 . 2]" 1
1054 1 20 VAL HA 1 21 GLU HB3 . . 5.500 5.696 5.487 5.880 0.380 16 0 "[ . 1 . 2]" 1
1055 1 20 VAL HA 1 21 GLU HB2 . . 5.500 5.164 4.968 5.302 . 0 0 "[ . 1 . 2]" 1
1056 1 20 VAL HA 1 21 GLU H . . 3.050 2.568 2.440 2.717 . 0 0 "[ . 1 . 2]" 1
1057 1 20 VAL HA 1 20 VAL HB . . 2.990 2.429 2.361 2.494 . 0 0 "[ . 1 . 2]" 1
1058 1 20 VAL HA 1 20 VAL QG . . 2.830 2.448 2.371 2.525 . 0 0 "[ . 1 . 2]" 1
1059 1 20 VAL QG 1 32 LYS H . . 4.550 4.436 4.247 4.645 0.095 8 0 "[ . 1 . 2]" 1
1060 1 20 VAL H 1 20 VAL QG . . 3.490 2.437 2.364 2.544 . 0 0 "[ . 1 . 2]" 1
1061 1 20 VAL QG 1 21 GLU H . . 3.400 2.761 2.585 2.910 . 0 0 "[ . 1 . 2]" 1
1062 1 19 GLU HA 1 20 VAL QG . . 4.050 3.825 3.757 3.919 . 0 0 "[ . 1 . 2]" 1
1063 1 20 VAL QG 1 32 LYS HA . . 5.140 4.983 4.877 5.087 . 0 0 "[ . 1 . 2]" 1
1064 1 20 VAL QG 1 28 ASN QB . . 3.530 3.195 2.561 3.523 . 0 0 "[ . 1 . 2]" 1
1065 1 20 VAL QG 1 32 LYS HG2 . . 3.500 2.758 2.647 2.913 . 0 0 "[ . 1 . 2]" 1
1066 1 20 VAL QG 1 32 LYS HG3 . . 3.430 2.037 1.879 2.192 . 0 0 "[ . 1 . 2]" 1
1067 1 20 VAL QG 1 32 LYS HD3 . . 4.010 4.061 3.372 4.472 0.462 9 0 "[ . 1 . 2]" 1
1068 1 18 LEU QB 1 20 VAL QG . . 3.240 2.462 2.258 2.710 . 0 0 "[ . 1 . 2]" 1
1069 1 20 VAL QG 1 29 VAL MG2 . . 2.880 1.572 1.506 1.669 . 0 0 "[ . 1 . 2]" 1
1070 1 19 GLU HA 1 20 VAL H . . 2.910 2.324 2.202 2.422 . 0 0 "[ . 1 . 2]" 1
1071 1 5 GLN HA 1 19 GLU HA . . 3.260 2.860 2.614 3.260 . 0 0 "[ . 1 . 2]" 1
1072 1 19 GLU HB3 1 20 VAL H . . 4.210 4.205 3.978 4.338 0.128 5 0 "[ . 1 . 2]" 1
1073 1 19 GLU HB3 1 20 VAL HA . . 5.450 4.887 4.585 5.030 . 0 0 "[ . 1 . 2]" 1
1074 1 19 GLU HB2 1 36 LYS QE . . 5.500 4.280 3.911 5.114 . 0 0 "[ . 1 . 2]" 1
1075 1 4 MET H 1 21 GLU QG . . 4.120 3.466 2.796 4.310 0.190 1 0 "[ . 1 . 2]" 1
1076 1 18 LEU QB 1 33 ILE H . . 5.500 5.033 4.878 5.261 . 0 0 "[ . 1 . 2]" 1
1077 1 18 LEU QB 1 19 GLU HA . . 4.900 4.156 4.024 4.273 . 0 0 "[ . 1 . 2]" 1
1078 1 17 THR HA 1 18 LEU QB . . 5.230 4.617 4.565 4.702 . 0 0 "[ . 1 . 2]" 1
1079 1 6 ILE QG 1 18 LEU QB . . 4.350 2.413 2.107 2.565 . 0 0 "[ . 1 . 2]" 1
1080 1 18 LEU H 1 18 LEU MD1 . . 3.540 3.279 3.086 3.411 . 0 0 "[ . 1 . 2]" 1
1081 1 18 LEU MD1 1 32 LYS H . . 4.250 4.224 4.091 4.337 0.087 20 0 "[ . 1 . 2]" 1
1082 1 18 LEU MD1 1 19 GLU H . . 3.710 3.736 3.584 4.001 0.291 11 0 "[ . 1 . 2]" 1
1083 1 17 THR HA 1 18 LEU MD1 . . 3.810 4.127 3.863 4.336 0.526 12 1 "[ . 1 + . 2]" 1
1084 1 18 LEU HA 1 18 LEU MD1 . . 2.710 2.233 2.131 2.361 . 0 0 "[ . 1 . 2]" 1
1085 1 18 LEU MD1 1 29 VAL HA . . 4.920 4.424 4.187 4.617 . 0 0 "[ . 1 . 2]" 1
1086 1 18 LEU QB 1 18 LEU MD1 . . 2.820 2.446 2.426 2.477 . 0 0 "[ . 1 . 2]" 1
1087 1 8 VAL H 1 18 LEU MD2 . . 4.510 2.892 2.674 3.184 . 0 0 "[ . 1 . 2]" 1
1088 1 6 ILE H 1 18 LEU MD2 . . 4.230 3.846 3.669 3.935 . 0 0 "[ . 1 . 2]" 1
1089 1 24 ASP H 1 59 LEU QD . . 4.540 4.014 3.716 4.263 . 0 0 "[ . 1 . 2]" 1
1090 1 18 LEU HA 1 18 LEU MD2 . . 3.620 3.370 3.284 3.505 . 0 0 "[ . 1 . 2]" 1
1091 1 6 ILE HA 1 18 LEU MD2 . . 5.000 5.003 4.854 5.093 0.093 7 0 "[ . 1 . 2]" 1
1092 1 18 LEU MD2 1 33 ILE HA . . 4.150 4.150 3.894 4.350 0.200 17 0 "[ . 1 . 2]" 1
1093 1 18 LEU MD2 1 29 VAL HA . . 5.090 4.799 4.457 5.198 0.108 18 0 "[ . 1 . 2]" 1
1094 1 29 VAL HA 1 59 LEU QD . . 5.430 4.430 4.303 4.479 . 0 0 "[ . 1 . 2]" 1
1095 1 18 LEU MD2 1 36 LYS QE . . 5.440 4.581 4.362 4.843 . 0 0 "[ . 1 . 2]" 1
1096 1 20 VAL HB 1 59 LEU QD . . 3.960 4.150 3.717 4.387 0.427 1 0 "[ . 1 . 2]" 1
1097 1 8 VAL HB 1 18 LEU MD2 . . 3.460 2.266 1.855 2.865 . 0 0 "[ . 1 . 2]" 1
1098 1 18 LEU MD2 1 33 ILE HG13 . . 3.990 2.981 2.518 3.440 . 0 0 "[ . 1 . 2]" 1
1099 1 18 LEU QB 1 18 LEU MD2 . . 3.070 2.260 2.242 2.279 . 0 0 "[ . 1 . 2]" 1
1100 1 17 THR HA 1 17 THR MG . . 3.030 2.445 2.405 2.479 . 0 0 "[ . 1 . 2]" 1
1101 1 17 THR HA 1 18 LEU MD2 . . 3.710 2.920 2.679 3.066 . 0 0 "[ . 1 . 2]" 1
1102 1 17 THR HB 1 18 LEU MD1 . . 4.970 5.008 4.859 5.092 0.122 18 0 "[ . 1 . 2]" 1
1103 1 16 ILE MG 1 17 THR HB . . 5.050 4.886 4.733 5.206 0.156 19 0 "[ . 1 . 2]" 1
1104 1 5 GLN QG 1 17 THR HB . . 4.900 4.609 4.398 4.845 . 0 0 "[ . 1 . 2]" 1
1105 1 5 GLN HB3 1 17 THR HB . . 5.500 5.197 5.017 5.381 . 0 0 "[ . 1 . 2]" 1
1106 1 17 THR HB 1 36 LYS HG3 . . 5.500 5.115 4.715 5.443 . 0 0 "[ . 1 . 2]" 1
1107 1 17 THR MG 1 18 LEU H . . 3.010 2.957 2.602 3.108 0.098 8 0 "[ . 1 . 2]" 1
1108 1 5 GLN QE 1 17 THR MG . . 3.790 3.515 1.731 4.049 0.259 1 0 "[ . 1 . 2]" 1
1109 1 25 THR HA 1 58 THR MG . . 2.960 2.320 2.122 2.503 . 0 0 "[ . 1 . 2]" 1
1110 1 5 GLN QG 1 17 THR MG . . 3.220 2.272 2.096 2.421 . 0 0 "[ . 1 . 2]" 1
1111 1 5 GLN HB2 1 17 THR MG . . 3.890 3.613 3.477 3.729 . 0 0 "[ . 1 . 2]" 1
1112 1 5 GLN HB3 1 17 THR MG . . 3.020 2.235 2.049 2.361 . 0 0 "[ . 1 . 2]" 1
1113 1 15 THR HA 1 16 ILE HA . . 4.530 4.494 4.450 4.546 0.016 11 0 "[ . 1 . 2]" 1
1114 1 16 ILE HA 1 17 THR HA . . 4.560 4.491 4.463 4.519 . 0 0 "[ . 1 . 2]" 1
1115 1 16 ILE HA 1 17 THR HB . . 4.510 4.698 4.569 4.801 0.291 5 0 "[ . 1 . 2]" 1
1116 1 14 LYS QE 1 16 ILE HA . . 4.750 4.300 3.592 5.048 0.298 15 0 "[ . 1 . 2]" 1
1117 1 16 ILE HA 1 36 LYS HB3 . . 4.220 4.060 3.623 4.423 0.203 7 0 "[ . 1 . 2]" 1
1118 1 16 ILE HA 1 36 LYS HG3 . . 4.140 4.428 4.027 4.781 0.641 7 3 "[ -. + 1 * 2]" 1
1119 1 16 ILE HA 1 16 ILE QG . . 3.270 2.444 2.343 2.537 . 0 0 "[ . 1 . 2]" 1
1120 1 14 LYS HG3 1 16 ILE HA . . 4.590 4.739 4.520 5.025 0.435 12 0 "[ . 1 . 2]" 1
1121 1 8 VAL MG1 1 16 ILE HB . . 3.060 3.078 2.240 3.473 0.413 12 0 "[ . 1 . 2]" 1
1122 1 10 THR MG 1 16 ILE HB . . 4.510 4.526 4.242 4.784 0.274 19 0 "[ . 1 . 2]" 1
1123 1 16 ILE HB 1 36 LYS HG3 . . 5.130 5.090 4.910 5.230 0.100 20 0 "[ . 1 . 2]" 1
1124 1 14 LYS QE 1 16 ILE HB . . 5.380 5.166 4.871 5.671 0.291 14 0 "[ . 1 . 2]" 1
1125 1 16 ILE HB 1 17 THR HA . . 5.280 5.073 4.922 5.242 . 0 0 "[ . 1 . 2]" 1
1126 1 9 LYS HA 1 16 ILE HB . . 4.710 4.897 4.420 5.205 0.495 14 0 "[ . 1 . 2]" 1
1127 1 16 ILE HB 1 17 THR H . . 4.760 4.410 4.327 4.471 . 0 0 "[ . 1 . 2]" 1
1128 1 16 ILE H 1 16 ILE QG . . 3.820 3.488 3.318 3.621 . 0 0 "[ . 1 . 2]" 1
1129 1 8 VAL H 1 16 ILE QG . . 5.500 5.395 5.144 5.557 0.057 1 0 "[ . 1 . 2]" 1
1130 1 16 ILE QG 1 17 THR H . . 4.530 4.424 4.264 4.566 0.036 19 0 "[ . 1 . 2]" 1
1131 1 15 THR HA 1 16 ILE QG . . 4.710 4.479 4.175 4.665 . 0 0 "[ . 1 . 2]" 1
1132 1 9 LYS HA 1 16 ILE QG . . 5.500 5.181 4.936 5.534 0.034 20 0 "[ . 1 . 2]" 1
1133 1 30 LYS HB3 1 46 LEU HG . . 4.150 3.103 2.467 4.791 0.641 6 2 "[ -.+ 1 . 2]" 1
1134 1 16 ILE QG 1 36 LYS HB2 . . 4.550 3.642 3.432 3.831 . 0 0 "[ . 1 . 2]" 1
1135 1 16 ILE QG 1 16 ILE MG . . 2.950 2.134 2.125 2.148 . 0 0 "[ . 1 . 2]" 1
1136 1 16 ILE MG 1 17 THR H . . 3.270 3.171 2.974 3.341 0.071 19 0 "[ . 1 . 2]" 1
1137 1 16 ILE HA 1 16 ILE MG . . 2.810 2.449 2.411 2.496 . 0 0 "[ . 1 . 2]" 1
1138 1 16 ILE MG 1 36 LYS QE . . 4.390 4.030 3.860 4.350 . 0 0 "[ . 1 . 2]" 1
1139 1 14 LYS QE 1 16 ILE MG . . 4.610 4.260 3.890 4.505 . 0 0 "[ . 1 . 2]" 1
1140 1 16 ILE MG 1 33 ILE HG13 . . 3.160 2.219 1.826 3.492 0.332 9 0 "[ . 1 . 2]" 1
1141 1 16 ILE MG 1 36 LYS HB2 . . 3.060 2.036 1.829 2.314 . 0 0 "[ . 1 . 2]" 1
1142 1 16 ILE MG 1 36 LYS QD . . 3.660 3.717 3.581 3.971 0.311 19 0 "[ . 1 . 2]" 1
1143 1 16 ILE MG 1 36 LYS HG3 . . 3.030 2.352 2.194 2.561 . 0 0 "[ . 1 . 2]" 1
1144 1 8 VAL H 1 16 ILE MD . . 4.560 4.446 4.099 4.740 0.180 1 0 "[ . 1 . 2]" 1
1145 1 16 ILE HA 1 16 ILE MD . . 3.580 3.406 3.223 3.727 0.147 14 0 "[ . 1 . 2]" 1
1146 1 16 ILE MD 1 33 ILE HA . . 5.150 5.081 4.722 5.278 0.128 20 0 "[ . 1 . 2]" 1
1147 1 6 ILE MD 1 29 VAL HA . . 4.560 4.480 4.015 4.920 0.360 18 0 "[ . 1 . 2]" 1
1148 1 8 VAL HB 1 16 ILE MD . . 3.600 3.547 2.944 4.076 0.476 1 0 "[ . 1 . 2]" 1
1149 1 16 ILE HB 1 16 ILE MD . . 2.800 2.322 2.265 2.363 . 0 0 "[ . 1 . 2]" 1
1150 1 14 LYS QD 1 16 ILE MD . . 3.070 2.839 2.130 3.415 0.345 15 0 "[ . 1 . 2]" 1
1151 1 14 LYS HG2 1 16 ILE MD . . 2.860 2.371 1.989 2.677 . 0 0 "[ . 1 . 2]" 1
1152 1 16 ILE MD 1 37 GLU HG2 . . 3.900 4.060 3.830 4.313 0.413 19 0 "[ . 1 . 2]" 1
1153 1 10 THR MG 1 16 ILE MD . . 2.870 1.809 1.735 1.936 . 0 0 "[ . 1 . 2]" 1
1154 1 16 ILE MD 1 16 ILE MG . . 3.040 3.175 3.008 3.231 0.191 7 0 "[ . 1 . 2]" 1
1155 1 15 THR HA 1 16 ILE MD . . 3.740 2.896 2.736 3.302 . 0 0 "[ . 1 . 2]" 1
1156 1 14 LYS HG3 1 15 THR HA . . 4.300 4.074 3.738 4.665 0.365 12 0 "[ . 1 . 2]" 1
1157 1 9 LYS QG 1 15 THR HA . . 3.870 3.708 2.432 4.329 0.459 19 0 "[ . 1 . 2]" 1
1158 1 14 LYS HG2 1 15 THR HA . . 4.800 4.612 4.049 5.036 0.236 6 0 "[ . 1 . 2]" 1
1159 1 15 THR HA 1 16 ILE HB . . 4.570 4.630 4.507 4.715 0.145 19 0 "[ . 1 . 2]" 1
1160 1 8 VAL HB 1 15 THR HA . . 5.450 5.631 5.348 5.883 0.433 7 0 "[ . 1 . 2]" 1
1161 1 10 THR H 1 15 THR HA . . 4.200 3.724 3.395 4.245 0.045 19 0 "[ . 1 . 2]" 1
1162 1 8 VAL H 1 15 THR HA . . 4.330 4.777 4.532 5.004 0.674 15 7 "[ . ** * * +*- 2]" 1
1163 1 9 LYS QE 1 15 THR HA . . 4.680 4.066 2.503 4.351 . 0 0 "[ . 1 . 2]" 1
1164 1 15 THR HB 1 16 ILE MD . . 5.340 4.967 4.793 5.403 0.063 14 0 "[ . 1 . 2]" 1
1165 1 14 LYS HG3 1 15 THR HB . . 4.940 5.108 4.734 5.333 0.393 4 0 "[ . 1 . 2]" 1
1166 1 15 THR HB 1 16 ILE QG . . 5.340 5.653 5.288 5.886 0.546 12 1 "[ . 1 + . 2]" 1
1167 1 7 PHE HA 1 15 THR MG . . 3.190 3.125 2.928 3.508 0.318 2 0 "[ . 1 . 2]" 1
1168 1 15 THR HA 1 15 THR MG . . 2.920 2.417 2.334 2.483 . 0 0 "[ . 1 . 2]" 1
1169 1 17 THR MG 1 36 LYS QD . . 4.270 5.069 4.984 5.178 0.908 19 20 [****************-*+*] 1
1170 1 10 THR H 1 14 LYS HA . . 4.790 4.980 4.849 5.098 0.308 17 0 "[ . 1 . 2]" 1
1171 1 11 LEU HA 1 13 GLY H . . 5.480 3.751 3.420 4.130 . 0 0 "[ . 1 . 2]" 1
1172 1 14 LYS HA 1 15 THR HA . . 4.600 4.461 4.398 4.496 . 0 0 "[ . 1 . 2]" 1
1173 1 27 GLU HA 1 55 ASP HA . . 3.680 3.169 2.723 3.376 . 0 0 "[ . 1 . 2]" 1
1174 1 9 LYS QE 1 14 LYS HA . . 4.060 3.774 3.500 4.199 0.139 12 0 "[ . 1 . 2]" 1
1175 1 14 LYS HA 1 14 LYS QD . . 4.330 4.443 4.137 4.618 0.288 11 0 "[ . 1 . 2]" 1
1176 1 14 LYS HA 1 14 LYS HG3 . . 3.410 3.425 3.026 3.635 0.225 19 0 "[ . 1 . 2]" 1
1177 1 10 THR H 1 14 LYS QB . . 4.620 4.451 4.039 4.738 0.118 6 0 "[ . 1 . 2]" 1
1178 1 13 GLY H 1 14 LYS QB . . 4.320 4.371 3.915 4.588 0.268 10 0 "[ . 1 . 2]" 1
1179 1 14 LYS QB 1 14 LYS QE . . 4.250 3.297 2.952 3.700 . 0 0 "[ . 1 . 2]" 1
1180 1 14 LYS QB 1 14 LYS QD . . 3.410 2.272 2.154 2.382 . 0 0 "[ . 1 . 2]" 1
1181 1 14 LYS QB 1 16 ILE MD . . 4.330 3.823 3.539 3.982 . 0 0 "[ . 1 . 2]" 1
1182 1 14 LYS HG2 1 15 THR H . . 4.190 4.132 3.299 4.587 0.397 6 0 "[ . 1 . 2]" 1
1183 1 14 LYS HA 1 14 LYS HG2 . . 3.930 3.795 3.583 3.920 . 0 0 "[ . 1 . 2]" 1
1184 1 14 LYS QE 1 14 LYS HG2 . . 3.520 3.122 2.472 3.471 . 0 0 "[ . 1 . 2]" 1
1185 1 14 LYS HG2 1 74 LEU MD2 . . 5.140 5.362 4.704 6.027 0.887 20 6 "[* . * 1 * - * +]" 1
1186 1 14 LYS QD 1 15 THR H . . 5.110 4.893 4.445 5.132 0.022 3 0 "[ . 1 . 2]" 1
1187 1 14 LYS H 1 14 LYS QD . . 4.930 4.216 3.998 4.429 . 0 0 "[ . 1 . 2]" 1
1188 1 10 THR MG 1 14 LYS QD . . 3.440 2.899 2.356 3.578 0.138 1 0 "[ . 1 . 2]" 1
1189 1 14 LYS QE 1 37 GLU H . . 5.420 4.618 4.271 4.907 . 0 0 "[ . 1 . 2]" 1
1190 1 9 LYS QE 1 13 GLY HA3 . . 4.040 3.685 3.325 4.505 0.465 19 0 "[ . 1 . 2]" 1
1191 1 9 LYS QE 1 13 GLY HA2 . . 3.640 2.721 2.084 3.653 0.013 19 0 "[ . 1 . 2]" 1
1192 1 14 LYS QE 1 37 GLU HB2 . . 3.190 2.424 2.054 2.799 . 0 0 "[ . 1 . 2]" 1
1193 1 9 LYS QE 1 9 LYS QG . . 3.390 2.188 2.158 2.349 . 0 0 "[ . 1 . 2]" 1
1194 1 14 LYS QE 1 14 LYS HG3 . . 3.520 2.635 2.397 3.077 . 0 0 "[ . 1 . 2]" 1
1195 1 14 LYS QE 1 16 ILE QG . . 3.310 2.384 1.981 2.844 . 0 0 "[ . 1 . 2]" 1
1196 1 14 LYS QE 1 16 ILE MD . . 3.460 2.785 1.969 3.536 0.076 14 0 "[ . 1 . 2]" 1
1197 1 13 GLY HA2 1 14 LYS HA . . 4.640 4.642 4.574 4.729 0.089 19 0 "[ . 1 . 2]" 1
1198 1 13 GLY HA2 1 14 LYS QB . . 5.380 5.095 4.930 5.264 . 0 0 "[ . 1 . 2]" 1
1199 1 9 LYS HB3 1 13 GLY HA2 . . 5.250 5.567 5.159 6.059 0.809 17 4 "[ - .* * . + 2]" 1
1200 1 9 LYS QG 1 13 GLY HA2 . . 4.220 3.061 2.461 3.433 . 0 0 "[ . 1 . 2]" 1
1201 1 11 LEU H 1 12 THR HA . . 5.430 5.259 5.209 5.309 . 0 0 "[ . 1 . 2]" 1
1202 1 12 THR HA 1 14 LYS H . . 5.100 4.879 4.575 5.085 . 0 0 "[ . 1 . 2]" 1
1203 1 12 THR HA 1 12 THR HB . . 2.560 2.533 2.499 2.570 0.010 6 0 "[ . 1 . 2]" 1
1204 1 12 THR HA 1 13 GLY HA2 . . 5.230 5.034 4.954 5.116 . 0 0 "[ . 1 . 2]" 1
1205 1 11 LEU HB2 1 12 THR HA . . 4.640 4.492 4.311 4.644 0.004 5 0 "[ . 1 . 2]" 1
1206 1 12 THR HA 1 12 THR MG . . 2.500 2.377 2.345 2.409 . 0 0 "[ . 1 . 2]" 1
1207 1 11 LEU HB3 1 12 THR HA . . 4.600 4.757 4.522 4.824 0.224 7 0 "[ . 1 . 2]" 1
1208 1 12 THR HB 1 13 GLY HA2 . . 5.500 5.857 5.710 5.999 0.499 17 0 "[ . 1 . 2]" 1
1209 1 10 THR HB 1 11 LEU HA . . 4.760 4.643 4.538 4.780 0.020 14 0 "[ . 1 . 2]" 1
1210 1 10 THR HA 1 11 LEU HB2 . . 4.980 4.881 4.792 4.987 0.007 13 0 "[ . 1 . 2]" 1
1211 1 10 THR HB 1 11 LEU HB2 . . 5.070 4.110 3.986 4.260 . 0 0 "[ . 1 . 2]" 1
1212 1 10 THR HB 1 11 LEU HB3 . . 5.500 5.457 5.363 5.604 0.104 15 0 "[ . 1 . 2]" 1
1213 1 11 LEU HB3 1 11 LEU QD . . 3.010 2.172 2.157 2.188 . 0 0 "[ . 1 . 2]" 1
1214 1 11 LEU HG 1 72 LEU H . . 5.500 4.189 3.853 4.478 . 0 0 "[ . 1 . 2]" 1
1215 1 11 LEU HG 1 74 LEU H . . 5.500 3.329 2.678 3.803 . 0 0 "[ . 1 . 2]" 1
1216 1 10 THR HB 1 11 LEU HG . . 5.190 4.476 4.131 4.679 . 0 0 "[ . 1 . 2]" 1
1217 1 11 LEU HG 1 74 LEU HG . . 4.720 4.604 3.956 5.070 0.350 18 0 "[ . 1 . 2]" 1
1218 1 10 THR MG 1 11 LEU HG . . 5.310 4.993 4.660 5.206 . 0 0 "[ . 1 . 2]" 1
1219 1 11 LEU QD 1 72 LEU H . . 4.270 3.645 3.347 4.078 . 0 0 "[ . 1 . 2]" 1
1220 1 10 THR HA 1 11 LEU QD . . 4.990 4.089 3.817 4.276 . 0 0 "[ . 1 . 2]" 1
1221 1 11 LEU QD 1 71 HIS HB3 . . 4.280 3.003 2.513 3.424 . 0 0 "[ . 1 . 2]" 1
1222 1 10 THR HA 1 11 LEU H . . 3.180 2.355 2.302 2.406 . 0 0 "[ . 1 . 2]" 1
1223 1 10 THR HA 1 11 LEU HA . . 4.370 4.408 4.341 4.449 0.079 9 0 "[ . 1 . 2]" 1
1224 1 9 LYS HA 1 10 THR HA . . 4.540 4.470 4.401 4.521 . 0 0 "[ . 1 . 2]" 1
1225 1 10 THR HA 1 71 HIS HA . . 4.720 4.573 4.396 4.858 0.138 17 0 "[ . 1 . 2]" 1
1226 1 10 THR HA 1 73 VAL HA . . 5.170 4.557 4.349 4.779 . 0 0 "[ . 1 . 2]" 1
1227 1 10 THR HA 1 71 HIS HB3 . . 5.500 5.182 4.950 5.513 0.013 6 0 "[ . 1 . 2]" 1
1228 1 10 THR HA 1 11 LEU HG . . 4.310 3.914 3.745 4.047 . 0 0 "[ . 1 . 2]" 1
1229 1 9 LYS HB3 1 10 THR HA . . 4.610 5.072 4.981 5.177 0.567 7 7 "[* *. + 1 - ** *2]" 1
1230 1 9 LYS QG 1 10 THR HA . . 5.030 4.635 4.441 4.825 . 0 0 "[ . 1 . 2]" 1
1231 1 10 THR HA 1 72 LEU HB2 . . 3.810 3.434 3.322 3.575 . 0 0 "[ . 1 . 2]" 1
1232 1 10 THR HA 1 10 THR MG . . 2.820 2.372 2.318 2.405 . 0 0 "[ . 1 . 2]" 1
1233 1 10 THR HA 1 72 LEU HB3 . . 3.730 1.910 1.818 2.067 . 0 0 "[ . 1 . 2]" 1
1234 1 10 THR HA 1 74 LEU MD2 . . 4.330 4.699 4.304 4.881 0.551 11 2 "[ . 1+ - . 2]" 1
1235 1 10 THR HA 1 72 LEU MD1 . . 3.740 3.202 3.037 3.341 . 0 0 "[ . 1 . 2]" 1
1236 1 10 THR MG 1 16 ILE H . . 5.240 4.917 4.491 5.326 0.086 19 0 "[ . 1 . 2]" 1
1237 1 10 THR MG 1 72 LEU H . . 5.110 4.408 4.219 4.645 . 0 0 "[ . 1 . 2]" 1
1238 1 10 THR MG 1 74 LEU H . . 5.490 4.521 4.231 4.988 . 0 0 "[ . 1 . 2]" 1
1239 1 10 THR MG 1 12 THR H . . 5.500 3.930 3.797 4.073 . 0 0 "[ . 1 . 2]" 1
1240 1 10 THR MG 1 13 GLY H . . 5.500 4.548 4.219 5.167 . 0 0 "[ . 1 . 2]" 1
1241 1 10 THR MG 1 14 LYS H . . 5.500 3.988 3.706 4.462 . 0 0 "[ . 1 . 2]" 1
1242 1 10 THR MG 1 14 LYS QE . . 5.230 3.790 2.761 4.307 . 0 0 "[ . 1 . 2]" 1
1243 1 10 THR MG 1 14 LYS QB . . 4.470 3.859 3.031 4.410 . 0 0 "[ . 1 . 2]" 1
1244 1 10 THR MG 1 74 LEU HG . . 4.350 2.787 2.431 3.292 . 0 0 "[ . 1 . 2]" 1
1245 1 9 LYS HA 1 16 ILE H . . 3.860 3.345 2.792 3.746 . 0 0 "[ . 1 . 2]" 1
1246 1 8 VAL H 1 9 LYS HA . . 4.820 4.927 4.730 5.071 0.251 6 0 "[ . 1 . 2]" 1
1247 1 9 LYS HA 1 15 THR H . . 4.890 4.856 4.609 4.995 0.105 5 0 "[ . 1 . 2]" 1
1248 1 9 LYS HA 1 13 GLY H . . 5.500 5.681 5.323 6.006 0.506 7 1 "[ . + 1 . 2]" 1
1249 1 9 LYS HA 1 15 THR HA . . 3.140 2.414 2.013 2.833 . 0 0 "[ . 1 . 2]" 1
1250 1 8 VAL HA 1 9 LYS HA . . 4.440 4.466 4.442 4.491 0.051 4 0 "[ . 1 . 2]" 1
1251 1 9 LYS HA 1 15 THR HB . . 5.500 5.393 5.022 5.848 0.348 19 0 "[ . 1 . 2]" 1
1252 1 9 LYS HA 1 14 LYS HA . . 5.370 5.484 5.304 5.581 0.211 3 0 "[ . 1 . 2]" 1
1253 1 9 LYS HA 1 13 GLY HA2 . . 5.500 5.488 4.862 6.019 0.519 7 2 "[ . + 1 - 2]" 1
1254 1 9 LYS HA 1 9 LYS QG . . 3.210 2.574 2.352 2.754 . 0 0 "[ . 1 . 2]" 1
1255 1 9 LYS HA 1 69 THR MG . . 4.720 4.598 4.361 4.878 0.158 7 0 "[ . 1 . 2]" 1
1256 1 9 LYS HA 1 16 ILE MD . . 3.690 3.065 2.818 3.402 . 0 0 "[ . 1 . 2]" 1
1257 1 9 LYS HA 1 15 THR MG . . 4.180 3.814 3.399 4.427 0.247 19 0 "[ . 1 . 2]" 1
1258 1 9 LYS HA 1 10 THR MG . . 4.090 4.017 3.797 4.336 0.246 20 0 "[ . 1 . 2]" 1
1259 1 9 LYS HB3 1 70 LEU H . . 5.260 4.817 4.350 5.095 . 0 0 "[ . 1 . 2]" 1
1260 1 9 LYS HB3 1 15 THR HA . . 5.450 5.062 4.407 5.400 . 0 0 "[ . 1 . 2]" 1
1261 1 9 LYS HB2 1 69 THR HA . . 5.320 4.959 4.610 5.204 . 0 0 "[ . 1 . 2]" 1
1262 1 8 VAL HA 1 9 LYS HB3 . . 4.950 4.736 4.536 4.798 . 0 0 "[ . 1 . 2]" 1
1263 1 9 LYS HB3 1 9 LYS QE . . 4.390 4.221 3.661 4.337 . 0 0 "[ . 1 . 2]" 1
1264 1 9 LYS HB3 1 72 LEU HB3 . . 5.500 5.625 5.351 5.847 0.347 7 0 "[ . 1 . 2]" 1
1265 1 9 LYS HB3 1 69 THR MG . . 3.670 3.265 2.952 3.525 . 0 0 "[ . 1 . 2]" 1
1266 1 8 VAL MG1 1 9 LYS HB3 . . 5.130 5.057 4.779 5.283 0.153 1 0 "[ . 1 . 2]" 1
1267 1 9 LYS H 1 9 LYS QG . . 4.600 4.114 4.022 4.188 . 0 0 "[ . 1 . 2]" 1
1268 1 9 LYS QG 1 10 THR H . . 3.480 3.069 2.789 3.365 . 0 0 "[ . 1 . 2]" 1
1269 1 9 LYS HA 1 9 LYS QD . . 3.920 2.879 2.180 4.053 0.133 12 0 "[ . 1 . 2]" 1
1270 1 9 LYS QD 1 15 THR HA . . 4.150 3.031 2.274 4.605 0.455 19 0 "[ . 1 . 2]" 1
1271 1 9 LYS QD 1 16 ILE H . . 5.500 4.753 4.107 6.162 0.662 19 1 "[ . 1 . +2]" 1
1272 1 9 LYS QD 1 70 LEU H . . 5.500 5.944 5.488 6.094 0.594 11 10 "[ * * ***1+ **. -*2]" 1
1273 1 9 LYS H 1 9 LYS QD . . 4.510 4.421 4.103 5.061 0.551 19 1 "[ . 1 . +2]" 1
1274 1 9 LYS QD 1 10 THR H . . 4.690 4.151 3.465 5.069 0.379 15 0 "[ . 1 . 2]" 1
1275 1 9 LYS QD 1 13 GLY HA2 . . 4.490 4.256 3.066 4.672 0.182 6 0 "[ . 1 . 2]" 1
1276 1 9 LYS QD 1 15 THR MG . . 4.610 3.343 2.745 4.850 0.240 19 0 "[ . 1 . 2]" 1
1277 1 14 LYS QD 1 16 ILE QG . . 4.970 3.500 2.674 4.192 . 0 0 "[ . 1 . 2]" 1
1278 1 9 LYS QE 1 13 GLY H . . 4.410 4.471 3.996 5.011 0.601 19 1 "[ . 1 . +2]" 1
1279 1 28 ASN QD 1 32 LYS QE . . 4.760 2.454 1.989 3.121 . 0 0 "[ . 1 . 2]" 1
1280 1 9 LYS HA 1 9 LYS QE . . 4.160 4.057 2.669 4.560 0.400 7 0 "[ . 1 . 2]" 1
1281 1 9 LYS QE 1 15 THR HB . . 4.690 4.959 4.227 5.233 0.543 10 3 "[ - . + * . 2]" 1
1282 1 8 VAL HA 1 9 LYS H . . 3.110 2.172 2.117 2.269 . 0 0 "[ . 1 . 2]" 1
1283 1 8 VAL HA 1 70 LEU H . . 4.020 2.818 2.614 3.000 . 0 0 "[ . 1 . 2]" 1
1284 1 7 PHE H 1 8 VAL HA . . 4.990 4.990 4.902 5.047 0.057 14 0 "[ . 1 . 2]" 1
1285 1 8 VAL HA 1 70 LEU HG . . 3.860 2.396 2.133 2.710 . 0 0 "[ . 1 . 2]" 1
1286 1 8 VAL HA 1 9 LYS HB2 . . 4.500 4.308 4.209 4.427 . 0 0 "[ . 1 . 2]" 1
1287 1 8 VAL HA 1 15 THR MG . . 5.020 5.058 4.802 5.412 0.392 18 0 "[ . 1 . 2]" 1
1288 1 8 VAL HA 1 69 THR MG . . 4.010 4.053 3.698 4.361 0.351 15 0 "[ . 1 . 2]" 1
1289 1 8 VAL HA 1 70 LEU QD . . 3.010 2.901 2.730 3.074 0.064 14 0 "[ . 1 . 2]" 1
1290 1 8 VAL HB 1 16 ILE MG . . 3.880 3.283 3.103 3.496 . 0 0 "[ . 1 . 2]" 1
1291 1 16 ILE MG 1 36 LYS HB3 . . 4.270 2.500 2.349 2.667 . 0 0 "[ . 1 . 2]" 1
1292 1 30 LYS HB3 1 46 LEU MD2 . . 3.220 2.087 1.819 2.299 . 0 0 "[ . 1 . 2]" 1
1293 1 16 ILE QG 1 36 LYS HB3 . . 4.030 4.091 3.921 4.355 0.325 14 0 "[ . 1 . 2]" 1
1294 1 18 LEU QB 1 32 LYS QB . . 4.460 2.552 2.405 2.815 . 0 0 "[ . 1 . 2]" 1
1295 1 8 VAL HB 1 16 ILE HA . . 4.760 5.080 4.698 5.319 0.559 12 4 "[* . * 1 + - 2]" 1
1296 1 7 PHE HA 1 8 VAL HB . . 4.560 4.574 4.306 4.697 0.137 7 0 "[ . 1 . 2]" 1
1297 1 7 PHE HA 1 9 LYS H . . 5.500 5.631 5.293 6.019 0.519 3 1 "[ + . 1 . 2]" 1
1298 1 6 ILE H 1 7 PHE HA . . 5.000 4.831 4.718 4.938 . 0 0 "[ . 1 . 2]" 1
1299 1 7 PHE HA 1 15 THR HA . . 5.500 5.372 5.234 5.646 0.146 2 0 "[ . 1 . 2]" 1
1300 1 7 PHE HA 1 17 THR HA . . 3.480 2.917 2.799 3.208 . 0 0 "[ . 1 . 2]" 1
1301 1 7 PHE HA 1 8 VAL HA . . 4.520 4.469 4.438 4.484 . 0 0 "[ . 1 . 2]" 1
1302 1 7 PHE HA 1 69 THR HA . . 4.840 4.659 4.537 4.835 . 0 0 "[ . 1 . 2]" 1
1303 1 7 PHE HA 1 17 THR HB . . 5.500 5.642 5.372 6.024 0.524 8 1 "[ . + 1 . 2]" 1
1304 1 6 ILE QG 1 7 PHE HA . . 5.050 4.457 4.211 4.667 . 0 0 "[ . 1 . 2]" 1
1305 1 6 ILE HB 1 7 PHE HA . . 4.370 4.647 4.571 4.731 0.361 1 0 "[ . 1 . 2]" 1
1306 1 7 PHE HA 1 70 LEU QD . . 4.940 4.581 4.490 4.678 . 0 0 "[ . 1 . 2]" 1
1307 1 7 PHE HA 1 8 VAL MG2 . . 4.540 4.057 3.769 4.447 . 0 0 "[ . 1 . 2]" 1
1308 1 7 PHE HA 1 18 LEU MD2 . . 4.820 3.728 3.479 3.951 . 0 0 "[ . 1 . 2]" 1
1309 1 6 ILE HA 1 66 LYS HA . . 4.020 4.023 3.700 4.279 0.259 10 0 "[ . 1 . 2]" 1
1310 1 6 ILE HB 1 66 LYS HA . . 5.110 4.857 4.598 5.247 0.137 10 0 "[ . 1 . 2]" 1
1311 1 9 LYS QG 1 16 ILE H . . 5.500 5.299 4.297 5.765 0.265 19 0 "[ . 1 . 2]" 1
1312 1 6 ILE H 1 6 ILE QG . . 3.480 2.792 2.630 2.911 . 0 0 "[ . 1 . 2]" 1
1313 1 6 ILE MG 1 67 GLU H . . 3.560 2.341 2.047 2.805 . 0 0 "[ . 1 . 2]" 1
1314 1 6 ILE MG 1 18 LEU H . . 5.100 5.209 5.075 5.311 0.211 2 0 "[ . 1 . 2]" 1
1315 1 6 ILE MG 1 20 VAL H . . 5.410 4.722 4.448 4.911 . 0 0 "[ . 1 . 2]" 1
1316 1 6 ILE H 1 6 ILE MG . . 3.560 3.305 3.159 3.456 . 0 0 "[ . 1 . 2]" 1
1317 1 6 ILE MG 1 7 PHE HA . . 5.330 5.593 5.573 5.615 0.285 1 0 "[ . 1 . 2]" 1
1318 1 5 GLN HA 1 6 ILE MG . . 4.190 4.147 3.967 4.314 0.124 8 0 "[ . 1 . 2]" 1
1319 1 6 ILE MG 1 69 THR HA . . 5.480 5.552 5.368 5.783 0.303 13 0 "[ . 1 . 2]" 1
1320 1 6 ILE MG 1 68 SER HA . . 4.700 4.761 4.573 4.899 0.199 5 0 "[ . 1 . 2]" 1
1321 1 6 ILE HA 1 6 ILE MG . . 2.960 2.344 2.321 2.376 . 0 0 "[ . 1 . 2]" 1
1322 1 6 ILE MG 1 67 GLU HB2 . . 5.500 5.101 4.836 5.410 . 0 0 "[ . 1 . 2]" 1
1323 1 4 MET HB2 1 6 ILE MG . . 4.600 3.975 3.450 4.245 . 0 0 "[ . 1 . 2]" 1
1324 1 6 ILE MG 1 66 LYS HB3 . . 4.920 4.066 3.808 4.430 . 0 0 "[ . 1 . 2]" 1
1325 1 6 ILE MG 1 18 LEU QB . . 4.370 4.546 4.463 4.642 0.272 19 0 "[ . 1 . 2]" 1
1326 1 6 ILE QG 1 6 ILE MG . . 3.170 2.442 2.422 2.460 . 0 0 "[ . 1 . 2]" 1
1327 1 6 ILE MG 1 64 ILE MG . . 3.030 2.711 2.444 2.908 . 0 0 "[ . 1 . 2]" 1
1328 1 6 ILE MD 1 7 PHE H . . 4.930 4.777 4.620 4.910 . 0 0 "[ . 1 . 2]" 1
1329 1 6 ILE MD 1 21 GLU H . . 5.330 4.965 4.749 5.200 . 0 0 "[ . 1 . 2]" 1
1330 1 6 ILE MD 1 67 GLU H . . 4.320 4.405 4.103 4.731 0.411 10 0 "[ . 1 . 2]" 1
1331 1 6 ILE MD 1 19 GLU H . . 4.830 4.062 3.894 4.219 . 0 0 "[ . 1 . 2]" 1
1332 1 6 ILE MD 1 68 SER H . . 5.260 5.499 5.292 5.616 0.356 16 0 "[ . 1 . 2]" 1
1333 1 6 ILE MD 1 19 GLU HA . . 4.400 3.699 3.386 4.067 . 0 0 "[ . 1 . 2]" 1
1334 1 6 ILE MD 1 21 GLU HA . . 4.800 4.973 4.689 5.116 0.316 15 0 "[ . 1 . 2]" 1
1335 1 6 ILE MD 1 18 LEU HA . . 4.630 4.266 4.205 4.371 . 0 0 "[ . 1 . 2]" 1
1336 1 6 ILE MD 1 20 VAL HA . . 5.070 4.669 4.504 4.868 . 0 0 "[ . 1 . 2]" 1
1337 1 6 ILE MD 1 22 PRO HA . . 5.500 4.940 4.621 5.337 . 0 0 "[ . 1 . 2]" 1
1338 1 6 ILE HA 1 6 ILE MD . . 3.680 3.608 3.566 3.635 . 0 0 "[ . 1 . 2]" 1
1339 1 6 ILE MD 1 66 LYS HA . . 4.620 4.164 3.873 4.417 . 0 0 "[ . 1 . 2]" 1
1340 1 5 GLN QG 1 6 ILE MD . . 4.520 4.477 4.145 4.697 0.177 4 0 "[ . 1 . 2]" 1
1341 1 6 ILE MD 1 20 VAL HB . . 4.230 4.364 4.248 4.523 0.293 8 0 "[ . 1 . 2]" 1
1342 1 4 MET HB2 1 6 ILE MD . . 4.210 4.102 3.570 4.536 0.326 4 0 "[ . 1 . 2]" 1
1343 1 6 ILE HB 1 6 ILE MD . . 3.310 3.282 3.268 3.292 . 0 0 "[ . 1 . 2]" 1
1344 1 6 ILE MD 1 18 LEU QB . . 3.370 1.908 1.809 2.040 . 0 0 "[ . 1 . 2]" 1
1345 1 5 GLN HA 1 67 GLU H . . 4.970 5.005 4.909 5.122 0.152 5 0 "[ . 1 . 2]" 1
1346 1 5 GLN HA 1 6 ILE H . . 2.790 2.144 2.069 2.280 . 0 0 "[ . 1 . 2]" 1
1347 1 5 GLN HA 1 20 VAL H . . 3.550 3.605 3.201 3.917 0.367 18 0 "[ . 1 . 2]" 1
1348 1 5 GLN HA 1 5 GLN QE . . 5.190 4.659 4.354 4.840 . 0 0 "[ . 1 . 2]" 1
1349 1 4 MET HA 1 5 GLN HA . . 4.550 4.435 4.321 4.582 0.032 14 0 "[ . 1 . 2]" 1
1350 1 5 GLN HA 1 5 GLN QG . . 3.270 2.339 2.284 2.379 . 0 0 "[ . 1 . 2]" 1
1351 1 5 GLN HA 1 17 THR MG . . 3.630 3.429 3.054 3.735 0.105 9 0 "[ . 1 . 2]" 1
1352 1 5 GLN HA 1 18 LEU QB . . 4.510 4.382 4.204 4.491 . 0 0 "[ . 1 . 2]" 1
1353 1 5 GLN HA 1 6 ILE QG . . 3.820 4.526 4.419 4.714 0.894 4 20 [***+***-************] 1
1354 1 5 GLN HA 1 6 ILE MD . . 3.650 2.749 2.548 2.920 . 0 0 "[ . 1 . 2]" 1
1355 1 5 GLN HA 1 20 VAL QG . . 4.380 4.649 4.276 4.882 0.502 8 1 "[ . + 1 . 2]" 1
1356 1 5 GLN QG 1 20 VAL H . . 5.500 4.810 4.286 5.199 . 0 0 "[ . 1 . 2]" 1
1357 1 5 GLN QG 1 19 GLU HA . . 4.260 3.069 2.460 3.471 . 0 0 "[ . 1 . 2]" 1
1358 1 4 MET HA 1 5 GLN QG . . 4.650 4.452 3.859 4.802 0.152 2 0 "[ . 1 . 2]" 1
1359 1 4 MET HB2 1 20 VAL QG . . 4.540 4.538 4.213 4.905 0.365 11 0 "[ . 1 . 2]" 1
1360 1 4 MET HG2 1 20 VAL H . . 5.500 5.797 5.339 6.158 0.658 4 6 "[ +. ** * - *2]" 1
1361 1 54 GLU HB3 1 57 ARG HA . . 5.110 5.092 4.741 5.380 0.270 7 0 "[ . 1 . 2]" 1
1362 1 4 MET HG2 1 22 PRO QD . . 4.130 3.027 2.520 3.523 . 0 0 "[ . 1 . 2]" 1
1363 1 54 GLU HB3 1 57 ARG HG3 . . 3.330 2.443 2.217 2.602 . 0 0 "[ . 1 . 2]" 1
1364 1 22 PRO HB3 1 59 LEU QD . . 4.280 3.760 3.327 4.259 . 0 0 "[ . 1 . 2]" 1
1365 1 11 LEU H 1 11 LEU QD . . 3.530 2.986 2.846 3.088 . 0 0 "[ . 1 . 2]" 1
1366 2 12 VAL MG1 2 30 LEU HA . . 4.130 3.299 2.849 3.645 . 0 0 "[ . 1 . 2]" 1
1367 2 30 LEU HA 2 30 LEU HG . . 3.870 3.818 3.786 3.840 . 0 0 "[ . 1 . 2]" 1
1368 2 30 LEU H 2 30 LEU QD . . 3.440 3.106 3.020 3.173 . 0 0 "[ . 1 . 2]" 1
1369 2 30 LEU HA 2 30 LEU QD . . 3.690 3.497 3.486 3.509 . 0 0 "[ . 1 . 2]" 1
1370 2 30 LEU QD 2 31 SER HB2 . . 5.420 3.990 2.763 5.184 . 0 0 "[ . 1 . 2]" 1
1371 2 30 LEU QD 2 31 SER HB3 . . 5.420 4.435 3.732 5.146 . 0 0 "[ . 1 . 2]" 1
1372 2 29 CYS H 2 30 LEU QD . . 4.780 4.429 4.260 4.519 . 0 0 "[ . 1 . 2]" 1
1373 2 11 PRO HD2 2 26 LEU MD1 . . 4.110 2.972 1.759 3.637 . 0 0 "[ . 1 . 2]" 1
1374 2 28 SER H 2 29 CYS HA . . 4.730 5.052 4.983 5.116 0.386 20 0 "[ . 1 . 2]" 1
1375 2 12 VAL MG1 2 29 CYS HA . . 4.240 3.574 3.400 3.700 . 0 0 "[ . 1 . 2]" 1
1376 2 26 LEU HA 2 29 CYS HB3 . . 3.740 3.766 3.496 4.113 0.373 5 0 "[ . 1 . 2]" 1
1377 2 28 SER HA 2 30 LEU H . . 4.580 4.379 4.193 4.563 . 0 0 "[ . 1 . 2]" 1
1378 2 27 ASP HA 2 30 LEU QB . . 4.540 4.408 4.222 4.669 0.129 13 0 "[ . 1 . 2]" 1
1379 2 26 LEU HB3 2 27 ASP HA . . 4.730 4.317 4.010 4.556 . 0 0 "[ . 1 . 2]" 1
1380 2 27 ASP HA 2 30 LEU QD . . 4.180 2.307 2.165 2.524 . 0 0 "[ . 1 . 2]" 1
1381 2 12 VAL MG2 2 26 LEU HA . . 4.500 3.312 2.978 3.750 . 0 0 "[ . 1 . 2]" 1
1382 2 26 LEU HA 2 26 LEU MD1 . . 3.990 3.526 2.040 3.902 . 0 0 "[ . 1 . 2]" 1
1383 2 26 LEU HA 2 26 LEU MD2 . . 3.990 2.410 1.953 3.933 . 0 0 "[ . 1 . 2]" 1
1384 2 26 LEU HA 2 26 LEU HG . . 4.180 3.103 2.864 3.326 . 0 0 "[ . 1 . 2]" 1
1385 2 26 LEU HA 2 29 CYS HB2 . . 3.440 2.146 1.813 2.536 . 0 0 "[ . 1 . 2]" 1
1386 2 25 HIS HB3 2 26 LEU HA . . 4.600 3.946 3.813 4.048 . 0 0 "[ . 1 . 2]" 1
1387 2 26 LEU HA 2 28 SER H . . 4.150 4.135 3.880 4.278 0.128 8 0 "[ . 1 . 2]" 1
1388 2 11 PRO HD2 2 26 LEU MD2 . . 4.110 2.127 1.723 3.580 . 0 0 "[ . 1 . 2]" 1
1389 2 26 LEU HB3 2 26 LEU MD2 . . 3.590 2.446 2.225 2.924 . 0 0 "[ . 1 . 2]" 1
1390 2 26 LEU HB3 2 26 LEU MD1 . . 3.590 2.577 2.350 3.249 . 0 0 "[ . 1 . 2]" 1
1391 2 17 ILE MD 2 25 HIS HA . . 4.930 4.462 4.392 4.712 . 0 0 "[ . 1 . 2]" 1
1392 2 19 GLU HB3 2 20 SER HA . . 4.570 4.531 4.367 4.812 0.242 1 0 "[ . 1 . 2]" 1
1393 2 24 LYS HB3 2 25 HIS HA . . 4.250 4.287 3.998 4.512 0.262 16 0 "[ . 1 . 2]" 1
1394 2 17 ILE MD 2 25 HIS HB3 . . 5.500 2.771 2.507 3.015 . 0 0 "[ . 1 . 2]" 1
1395 2 24 LYS HA 2 24 LYS HD2 . . 4.520 3.790 2.143 4.848 0.328 4 0 "[ . 1 . 2]" 1
1396 2 24 LYS HA 2 24 LYS HD3 . . 4.520 3.255 2.090 4.818 0.298 5 0 "[ . 1 . 2]" 1
1397 2 24 LYS HA 2 24 LYS HB2 . . 2.880 2.488 2.409 2.650 . 0 0 "[ . 1 . 2]" 1
1398 2 24 LYS HA 2 27 ASP HB3 . . 4.040 4.058 2.597 5.019 0.979 15 7 "[* - * 1 **+ * 2]" 1
1399 2 24 LYS HA 2 27 ASP HB2 . . 4.040 3.085 2.720 3.654 . 0 0 "[ . 1 . 2]" 1
1400 2 24 LYS H 2 24 LYS HG2 . . 5.260 4.584 4.220 4.697 . 0 0 "[ . 1 . 2]" 1
1401 2 24 LYS H 2 24 LYS HG3 . . 5.260 4.517 4.442 4.580 . 0 0 "[ . 1 . 2]" 1
1402 2 23 ASN HA 2 27 ASP H . . 4.960 4.425 3.853 4.763 . 0 0 "[ . 1 . 2]" 1
1403 2 22 ILE HB 2 23 ASN HA . . 5.490 5.627 5.373 5.724 0.234 9 0 "[ . 1 . 2]" 1
1404 2 22 ILE MD 2 23 ASN HA . . 4.070 3.757 3.512 4.348 0.278 11 0 "[ . 1 . 2]" 1
1405 2 23 ASN HA 2 26 LEU HB2 . . 4.050 3.124 2.464 3.835 . 0 0 "[ . 1 . 2]" 1
1406 2 17 ILE MD 2 22 ILE MD . . 3.390 3.183 2.199 3.495 0.105 20 0 "[ . 1 . 2]" 1
1407 2 22 ILE HB 2 22 ILE MD . . 3.420 3.273 3.244 3.288 . 0 0 "[ . 1 . 2]" 1
1408 2 22 ILE MD 2 26 LEU HG . . 4.480 2.662 2.014 5.027 0.547 6 1 "[ .+ 1 . 2]" 1
1409 2 10 CYS QB 2 22 ILE MD . . 4.290 3.113 2.585 3.270 . 0 0 "[ . 1 . 2]" 1
1410 2 22 ILE MD 2 25 HIS HB3 . . 4.630 3.850 3.526 4.249 . 0 0 "[ . 1 . 2]" 1
1411 2 22 ILE MD 2 25 HIS HB2 . . 4.410 4.243 3.791 5.072 0.662 20 2 "[ .- 1 . +]" 1
1412 2 11 PRO HD2 2 22 ILE MD . . 3.300 2.299 1.999 2.713 . 0 0 "[ . 1 . 2]" 1
1413 2 22 ILE HA 2 22 ILE MD . . 3.550 2.751 2.183 2.966 . 0 0 "[ . 1 . 2]" 1
1414 2 22 ILE H 2 22 ILE MD . . 4.260 4.471 4.326 4.526 0.266 1 0 "[ . 1 . 2]" 1
1415 2 10 CYS H 2 22 ILE MD . . 4.480 3.927 3.369 4.081 . 0 0 "[ . 1 . 2]" 1
1416 2 15 VAL H 2 22 ILE MD . . 5.500 5.818 5.575 6.011 0.511 11 1 "[ . 1+ . 2]" 1
1417 2 22 ILE HA 2 25 HIS H . . 4.680 3.498 3.330 3.729 . 0 0 "[ . 1 . 2]" 1
1418 2 22 ILE HA 2 24 LYS H . . 4.660 4.539 4.345 4.687 0.027 1 0 "[ . 1 . 2]" 1
1419 2 22 ILE HA 2 25 HIS HB3 . . 3.920 3.493 3.280 3.624 . 0 0 "[ . 1 . 2]" 1
1420 2 22 ILE HA 2 25 HIS HB2 . . 3.770 2.753 2.292 3.467 . 0 0 "[ . 1 . 2]" 1
1421 2 22 ILE HA 2 22 ILE HG13 . . 3.940 3.628 3.611 3.666 . 0 0 "[ . 1 . 2]" 1
1422 2 22 ILE HA 2 22 ILE HG12 . . 3.930 2.345 2.313 2.472 . 0 0 "[ . 1 . 2]" 1
1423 2 22 ILE HA 2 22 ILE MG . . 3.670 3.263 3.182 3.281 . 0 0 "[ . 1 . 2]" 1
1424 2 8 VAL QG 2 22 ILE HA . . 4.020 4.261 4.057 4.449 0.429 1 0 "[ . 1 . 2]" 1
1425 2 8 VAL QG 2 22 ILE HB . . 3.560 2.231 2.057 2.556 . 0 0 "[ . 1 . 2]" 1
1426 2 19 GLU HA 2 22 ILE HB . . 4.320 2.636 1.899 3.165 . 0 0 "[ . 1 . 2]" 1
1427 2 8 VAL QG 2 22 ILE HG13 . . 4.530 2.080 1.769 2.228 . 0 0 "[ . 1 . 2]" 1
1428 2 8 VAL QG 2 22 ILE HG12 . . 5.060 3.132 2.597 3.384 . 0 0 "[ . 1 . 2]" 1
1429 2 22 ILE MG 2 23 ASN HA . . 4.180 3.135 3.043 3.239 . 0 0 "[ . 1 . 2]" 1
1430 2 22 ILE MD 2 22 ILE MG . . 2.770 1.974 1.889 2.048 . 0 0 "[ . 1 . 2]" 1
1431 2 8 VAL QG 2 22 ILE MG . . 3.730 2.041 1.914 2.505 . 0 0 "[ . 1 . 2]" 1
1432 2 22 ILE HG12 2 22 ILE MG . . 3.250 3.235 3.225 3.244 . 0 0 "[ . 1 . 2]" 1
1433 2 21 HIS HA 2 24 LYS HB2 . . 4.100 3.346 2.781 4.154 0.054 2 0 "[ . 1 . 2]" 1
1434 2 21 HIS HA 2 24 LYS HB3 . . 4.290 2.513 2.152 3.023 . 0 0 "[ . 1 . 2]" 1
1435 2 20 SER HA 2 22 ILE MG . . 4.700 4.380 4.148 4.533 . 0 0 "[ . 1 . 2]" 1
1436 2 18 PRO QB 2 20 SER HA . . 5.200 5.554 5.157 5.930 0.730 19 5 "[ * . * 1* - . +2]" 1
1437 2 15 VAL HA 2 15 VAL MG1 . . 3.090 2.410 2.374 2.445 . 0 0 "[ . 1 . 2]" 1
1438 2 15 VAL HA 2 16 ASN H . . 2.760 2.216 2.168 2.260 . 0 0 "[ . 1 . 2]" 1
1439 2 19 GLU HA 2 21 HIS H . . 4.850 4.370 4.161 4.542 . 0 0 "[ . 1 . 2]" 1
1440 2 18 PRO HA 2 19 GLU HA . . 4.360 4.219 4.133 4.292 . 0 0 "[ . 1 . 2]" 1
1441 2 19 GLU HA 2 19 GLU QG . . 3.380 2.513 2.426 2.653 . 0 0 "[ . 1 . 2]" 1
1442 2 19 GLU HA 2 22 ILE MG . . 3.640 2.272 2.064 2.714 . 0 0 "[ . 1 . 2]" 1
1443 2 8 VAL QG 2 19 GLU HA . . 3.120 2.261 2.136 2.450 . 0 0 "[ . 1 . 2]" 1
1444 2 8 VAL QG 2 19 GLU HB3 . . 5.060 3.976 3.666 4.183 . 0 0 "[ . 1 . 2]" 1
1445 2 19 GLU HB3 2 22 ILE MG . . 5.500 4.430 4.135 4.781 . 0 0 "[ . 1 . 2]" 1
1446 2 8 VAL QG 2 19 GLU HB2 . . 3.550 2.811 2.345 3.143 . 0 0 "[ . 1 . 2]" 1
1447 2 19 GLU H 2 19 GLU QG . . 4.440 3.992 3.940 4.084 . 0 0 "[ . 1 . 2]" 1
1448 2 19 GLU QG 2 22 ILE MG . . 4.200 2.762 2.217 3.281 . 0 0 "[ . 1 . 2]" 1
1449 2 6 THR MG 2 19 GLU QG . . 4.780 4.317 3.626 4.760 . 0 0 "[ . 1 . 2]" 1
1450 2 8 VAL QG 2 19 GLU QG . . 3.880 2.865 2.351 3.212 . 0 0 "[ . 1 . 2]" 1
1451 2 7 LYS HA 2 18 PRO HA . . 3.300 2.286 1.761 2.716 . 0 0 "[ . 1 . 2]" 1
1452 2 18 PRO HA 2 19 GLU HB3 . . 5.130 4.848 4.573 5.032 . 0 0 "[ . 1 . 2]" 1
1453 2 8 VAL QG 2 18 PRO HA . . 4.330 3.484 3.046 3.991 . 0 0 "[ . 1 . 2]" 1
1454 2 17 ILE HA 2 18 PRO QG . . 4.820 4.160 4.064 4.225 . 0 0 "[ . 1 . 2]" 1
1455 2 17 ILE HA 2 18 PRO HD2 . . 3.680 2.420 2.289 2.529 . 0 0 "[ . 1 . 2]" 1
1456 2 17 ILE HA 2 18 PRO HD3 . . 3.510 2.680 2.504 2.769 . 0 0 "[ . 1 . 2]" 1
1457 2 17 ILE MD 2 18 PRO HD3 . . 5.500 5.705 5.587 5.774 0.274 13 0 "[ . 1 . 2]" 1
1458 2 11 PRO HD3 2 17 ILE MD . . 5.500 5.770 5.403 6.004 0.504 8 1 "[ . + 1 . 2]" 1
1459 2 17 ILE HG13 2 18 PRO HD3 . . 5.500 5.422 5.347 5.519 0.019 11 0 "[ . 1 . 2]" 1
1460 2 17 ILE HG13 2 18 PRO HD2 . . 4.450 4.362 4.254 4.469 0.019 11 0 "[ . 1 . 2]" 1
1461 2 17 ILE HB 2 18 PRO HD2 . . 3.640 2.263 2.123 2.396 . 0 0 "[ . 1 . 2]" 1
1462 2 17 ILE HB 2 18 PRO HD3 . . 3.950 3.776 3.636 3.907 . 0 0 "[ . 1 . 2]" 1
1463 2 17 ILE MD 2 18 PRO HD2 . . 4.450 4.428 4.281 4.528 0.078 13 0 "[ . 1 . 2]" 1
1464 2 17 ILE MD 2 21 HIS HB2 . . 4.660 4.015 3.565 4.987 0.327 19 0 "[ . 1 . 2]" 1
1465 2 17 ILE MD 2 25 HIS HB2 . . 3.770 2.262 2.134 2.487 . 0 0 "[ . 1 . 2]" 1
1466 2 10 CYS QB 2 17 ILE MD . . 3.770 1.867 1.770 2.133 . 0 0 "[ . 1 . 2]" 1
1467 2 17 ILE MD 2 21 HIS HB3 . . 4.660 3.198 2.481 3.707 . 0 0 "[ . 1 . 2]" 1
1468 2 17 ILE MD 2 22 ILE HA . . 3.400 1.970 1.882 2.037 . 0 0 "[ . 1 . 2]" 1
1469 2 17 ILE HA 2 17 ILE MD . . 4.360 4.264 4.250 4.280 . 0 0 "[ . 1 . 2]" 1
1470 2 15 VAL MG2 2 17 ILE MD . . 3.280 2.123 1.961 2.429 . 0 0 "[ . 1 . 2]" 1
1471 2 17 ILE MD 2 17 ILE MG . . 2.890 2.007 1.987 2.045 . 0 0 "[ . 1 . 2]" 1
1472 2 17 ILE HB 2 17 ILE MD . . 3.490 2.538 2.483 2.584 . 0 0 "[ . 1 . 2]" 1
1473 2 15 VAL HB 2 17 ILE MG . . 4.400 3.050 2.812 3.311 . 0 0 "[ . 1 . 2]" 1
1474 2 17 ILE MG 2 18 PRO HD2 . . 3.730 2.946 2.790 3.110 . 0 0 "[ . 1 . 2]" 1
1475 2 17 ILE MG 2 25 HIS HB2 . . 4.250 4.359 4.016 4.662 0.412 1 0 "[ . 1 . 2]" 1
1476 2 10 CYS QB 2 17 ILE MG . . 4.710 3.999 3.903 4.108 . 0 0 "[ . 1 . 2]" 1
1477 2 17 ILE MG 2 18 PRO HD3 . . 3.840 4.001 3.825 4.169 0.329 13 0 "[ . 1 . 2]" 1
1478 2 17 ILE HA 2 17 ILE MG . . 3.450 2.344 2.317 2.366 . 0 0 "[ . 1 . 2]" 1
1479 2 17 ILE MG 2 22 ILE HA . . 4.780 4.617 4.439 4.788 0.008 20 0 "[ . 1 . 2]" 1
1480 2 16 ASN H 2 17 ILE MG . . 4.610 4.011 3.870 4.236 . 0 0 "[ . 1 . 2]" 1
1481 2 17 ILE H 2 17 ILE MG . . 3.990 3.391 3.203 3.506 . 0 0 "[ . 1 . 2]" 1
1482 2 17 ILE HG12 2 17 ILE MG . . 3.700 2.541 2.490 2.587 . 0 0 "[ . 1 . 2]" 1
1483 2 10 CYS H 2 16 ASN HA . . 4.110 3.628 3.366 3.880 . 0 0 "[ . 1 . 2]" 1
1484 2 16 ASN HA 2 16 ASN HD21 . . 3.820 2.681 2.015 2.883 . 0 0 "[ . 1 . 2]" 1
1485 2 16 ASN HA 2 16 ASN HD22 . . 3.990 3.791 3.630 3.848 . 0 0 "[ . 1 . 2]" 1
1486 2 9 ASP HA 2 16 ASN HA . . 3.390 2.171 1.892 2.400 . 0 0 "[ . 1 . 2]" 1
1487 2 15 VAL MG2 2 16 ASN HA . . 4.700 4.286 4.158 4.423 . 0 0 "[ . 1 . 2]" 1
1488 2 16 ASN HA 2 17 ILE HG12 . . 4.220 3.360 3.150 3.669 . 0 0 "[ . 1 . 2]" 1
1489 2 16 ASN HA 2 17 ILE MG . . 4.470 4.066 3.977 4.202 . 0 0 "[ . 1 . 2]" 1
1490 2 9 ASP QB 2 16 ASN HA . . 4.440 3.828 3.475 4.104 . 0 0 "[ . 1 . 2]" 1
1491 2 15 VAL HA 2 16 ASN HB3 . . 5.500 4.759 4.608 4.844 . 0 0 "[ . 1 . 2]" 1
1492 2 15 VAL HA 2 16 ASN HB2 . . 4.320 4.538 4.453 4.655 0.335 17 0 "[ . 1 . 2]" 1
1493 2 15 VAL HB 2 16 ASN H . . 3.350 3.127 2.874 3.347 . 0 0 "[ . 1 . 2]" 1
1494 2 10 CYS H 2 15 VAL MG1 . . 4.800 5.027 4.900 5.128 0.328 19 0 "[ . 1 . 2]" 1
1495 2 14 GLY H 2 15 VAL MG1 . . 3.980 4.214 4.001 4.638 0.658 11 1 "[ . 1+ . 2]" 1
1496 2 10 CYS QB 2 15 VAL MG1 . . 4.050 3.861 3.763 3.999 . 0 0 "[ . 1 . 2]" 1
1497 2 15 VAL HA 2 15 VAL MG2 . . 3.270 3.279 3.264 3.293 0.023 10 0 "[ . 1 . 2]" 1
1498 2 10 CYS H 2 15 VAL MG2 . . 4.680 3.292 3.084 3.558 . 0 0 "[ . 1 . 2]" 1
1499 2 10 CYS QB 2 15 VAL MG2 . . 4.070 2.038 1.919 2.231 . 0 0 "[ . 1 . 2]" 1
1500 2 12 VAL MG1 2 29 CYS HB3 . . 3.500 2.243 1.931 2.592 . 0 0 "[ . 1 . 2]" 1
1501 2 13 CYS H 2 14 GLY HA2 . . 4.720 4.475 4.235 4.644 . 0 0 "[ . 1 . 2]" 1
1502 2 13 CYS H 2 14 GLY HA3 . . 5.170 4.917 4.747 5.041 . 0 0 "[ . 1 . 2]" 1
1503 2 9 ASP QB 2 14 GLY HA3 . . 5.210 5.292 4.775 5.707 0.497 9 0 "[ . 1 . 2]" 1
1504 2 9 ASP QB 2 14 GLY HA2 . . 4.360 3.879 3.341 4.454 0.094 9 0 "[ . 1 . 2]" 1
1505 2 14 GLY HA2 2 15 VAL MG1 . . 4.970 4.527 4.439 4.898 . 0 0 "[ . 1 . 2]" 1
1506 2 14 GLY HA2 2 15 VAL MG2 . . 4.770 4.649 4.486 5.105 0.335 11 0 "[ . 1 . 2]" 1
1507 2 12 VAL HA 2 12 VAL MG1 . . 3.110 2.379 2.322 2.433 . 0 0 "[ . 1 . 2]" 1
1508 2 12 VAL HA 2 12 VAL MG2 . . 3.170 2.545 2.489 2.615 . 0 0 "[ . 1 . 2]" 1
1509 2 12 VAL H 2 12 VAL MG1 . . 3.930 3.855 3.818 3.893 . 0 0 "[ . 1 . 2]" 1
1510 2 11 PRO HA 2 13 CYS H . . 5.410 4.984 4.675 5.405 . 0 0 "[ . 1 . 2]" 1
1511 2 11 PRO HA 2 12 VAL MG2 . . 4.880 4.725 4.584 4.831 . 0 0 "[ . 1 . 2]" 1
1512 2 11 PRO HA 2 14 GLY H . . 4.750 4.035 3.890 4.362 . 0 0 "[ . 1 . 2]" 1
1513 2 11 PRO QB 2 12 VAL HA . . 5.500 4.251 3.805 4.616 . 0 0 "[ . 1 . 2]" 1
1514 2 10 CYS HA 2 11 PRO QB . . 5.030 4.705 4.475 4.783 . 0 0 "[ . 1 . 2]" 1
1515 2 11 PRO QB 2 26 LEU MD1 . . 5.010 5.049 4.001 5.426 0.416 8 0 "[ . 1 . 2]" 1
1516 2 30 LEU HG 2 31 SER HA . . 3.920 4.726 4.416 5.085 1.165 10 19 "[ ********+**-*******]" 1
1517 2 11 PRO HD2 2 12 VAL MG2 . . 4.510 3.456 3.077 4.048 . 0 0 "[ . 1 . 2]" 1
1518 2 8 VAL QG 2 11 PRO HD3 . . 5.500 5.207 4.927 5.465 . 0 0 "[ . 1 . 2]" 1
1519 2 11 PRO HD3 2 12 VAL MG2 . . 5.500 4.753 4.537 5.170 . 0 0 "[ . 1 . 2]" 1
1520 2 11 PRO HD3 2 22 ILE MD . . 3.690 2.453 1.841 3.099 . 0 0 "[ . 1 . 2]" 1
1521 2 11 PRO HD2 2 22 ILE HG12 . . 5.500 4.572 4.133 5.513 0.013 11 0 "[ . 1 . 2]" 1
1522 2 11 PRO HD3 2 22 ILE HG12 . . 5.500 4.669 3.985 5.755 0.255 11 0 "[ . 1 . 2]" 1
1523 2 10 CYS HA 2 11 PRO HD3 . . 3.370 2.559 2.162 2.778 . 0 0 "[ . 1 . 2]" 1
1524 2 10 CYS HA 2 11 PRO HD2 . . 3.310 2.205 2.032 2.637 . 0 0 "[ . 1 . 2]" 1
1525 2 27 ASP HA 2 30 LEU HG . . 5.230 2.753 2.465 3.196 . 0 0 "[ . 1 . 2]" 1
1526 2 10 CYS HA 2 22 ILE MD . . 3.300 1.754 1.697 1.819 . 0 0 "[ . 1 . 2]" 1
1527 2 10 CYS HA 2 17 ILE HG12 . . 5.390 4.748 4.572 5.013 . 0 0 "[ . 1 . 2]" 1
1528 2 10 CYS HA 2 17 ILE HG13 . . 5.500 5.059 4.835 5.345 . 0 0 "[ . 1 . 2]" 1
1529 2 8 VAL QG 2 10 CYS HA . . 5.500 4.912 4.710 5.199 . 0 0 "[ . 1 . 2]" 1
1530 2 10 CYS HA 2 12 VAL MG2 . . 5.500 4.687 4.444 5.083 . 0 0 "[ . 1 . 2]" 1
1531 2 10 CYS QB 2 14 GLY HA2 . . 4.850 4.130 3.858 4.397 . 0 0 "[ . 1 . 2]" 1
1532 2 10 CYS QB 2 11 PRO HD2 . . 5.240 4.096 3.951 4.335 . 0 0 "[ . 1 . 2]" 1
1533 2 10 CYS QB 2 22 ILE HA . . 5.500 3.621 3.320 4.187 . 0 0 "[ . 1 . 2]" 1
1534 2 9 ASP HA 2 16 ASN HD21 . . 4.370 3.437 2.963 3.837 . 0 0 "[ . 1 . 2]" 1
1535 2 9 ASP HA 2 16 ASN HD22 . . 4.910 4.706 4.319 5.020 0.110 9 0 "[ . 1 . 2]" 1
1536 2 9 ASP HA 2 10 CYS HA . . 4.660 4.428 4.396 4.468 . 0 0 "[ . 1 . 2]" 1
1537 2 8 VAL QG 2 9 ASP HA . . 4.350 4.155 3.939 4.635 0.285 11 0 "[ . 1 . 2]" 1
1538 2 9 ASP HA 2 16 ASN HB2 . . 5.500 4.038 3.445 4.271 . 0 0 "[ . 1 . 2]" 1
1539 2 9 ASP HA 2 16 ASN HB3 . . 5.500 5.093 4.635 5.317 . 0 0 "[ . 1 . 2]" 1
1540 2 9 ASP HA 2 10 CYS QB . . 4.470 4.052 3.985 4.120 . 0 0 "[ . 1 . 2]" 1
1541 2 9 ASP QB 2 10 CYS H . . 3.660 3.015 2.732 3.660 0.000 6 0 "[ . 1 . 2]" 1
1542 2 9 ASP H 2 9 ASP QB . . 3.370 2.523 2.379 2.671 . 0 0 "[ . 1 . 2]" 1
1543 2 8 VAL HA 2 8 VAL QG . . 3.010 2.309 2.267 2.332 . 0 0 "[ . 1 . 2]" 1
1544 2 8 VAL HA 2 22 ILE HG13 . . 5.500 5.133 4.720 5.369 . 0 0 "[ . 1 . 2]" 1
1545 2 8 VAL HB 2 22 ILE MD . . 4.490 4.250 3.915 4.501 0.011 19 0 "[ . 1 . 2]" 1
1546 2 8 VAL HB 2 22 ILE HB . . 4.610 4.585 4.204 4.900 0.290 11 0 "[ . 1 . 2]" 1
1547 2 7 LYS HA 2 8 VAL QG . . 4.260 3.078 2.857 3.245 . 0 0 "[ . 1 . 2]" 1
1548 2 7 LYS HA 2 7 LYS HE2 . . 5.500 4.936 4.204 5.850 0.350 16 0 "[ . 1 . 2]" 1
1549 2 7 LYS HA 2 7 LYS HE3 . . 5.500 4.980 4.090 6.210 0.710 14 1 "[ . 1 +. 2]" 1
1550 2 6 THR HA 2 7 LYS HA . . 4.470 4.493 4.453 4.535 0.065 18 0 "[ . 1 . 2]" 1
1551 2 5 VAL MG1 2 6 THR HA . . 5.260 4.613 4.284 4.846 . 0 0 "[ . 1 . 2]" 1
1552 2 5 VAL MG2 2 6 THR HA . . 5.260 4.479 4.153 5.808 0.548 1 1 "[+ . 1 . 2]" 1
1553 2 6 THR HA 2 6 THR MG . . 3.130 2.413 2.356 2.504 . 0 0 "[ . 1 . 2]" 1
1554 2 6 THR HB 2 19 GLU HB3 . . 4.840 3.586 2.883 3.806 . 0 0 "[ . 1 . 2]" 1
1555 2 6 THR HB 2 19 GLU HB2 . . 4.420 2.339 1.880 2.789 . 0 0 "[ . 1 . 2]" 1
1556 2 6 THR HB 2 7 LYS H . . 4.370 4.130 3.811 4.358 . 0 0 "[ . 1 . 2]" 1
1557 2 6 THR MG 2 19 GLU HB2 . . 3.950 3.739 3.357 3.921 . 0 0 "[ . 1 . 2]" 1
1558 2 6 THR MG 2 19 GLU HB3 . . 4.980 4.988 4.288 5.179 0.199 8 0 "[ . 1 . 2]" 1
1559 2 11 PRO QB 2 12 VAL MG2 . . 4.170 3.745 2.888 4.178 0.008 20 0 "[ . 1 . 2]" 1
1560 2 11 PRO QB 2 26 LEU MD2 . . 5.010 4.413 3.424 5.413 0.403 12 0 "[ . 1 . 2]" 1
1561 2 11 PRO QB 2 22 ILE MD . . 5.410 4.670 4.307 5.074 . 0 0 "[ . 1 . 2]" 1
1562 1 77 ARG HA 1 79 GLY H . . 4.610 4.025 3.468 4.562 . 0 0 "[ . 1 . 2]" 1
1563 1 78 GLY QA 1 79 GLY H . . 2.980 2.841 2.506 2.944 . 0 0 "[ . 1 . 2]" 1
1564 1 77 ARG HB2 1 79 GLY H . . 5.500 4.988 4.385 5.814 0.314 17 0 "[ . 1 . 2]" 1
1565 1 77 ARG HB3 1 79 GLY H . . 5.500 5.455 5.155 5.905 0.405 8 0 "[ . 1 . 2]" 1
1566 1 76 LEU HB2 1 79 GLY H . . 5.450 5.004 4.204 5.845 0.395 2 0 "[ . 1 . 2]" 1
1567 1 76 LEU HG 1 79 GLY H . . 5.500 5.740 4.876 6.169 0.669 11 6 "[ *- *1+ .* *]" 1
1568 1 76 LEU HB3 1 79 GLY H . . 4.360 3.693 2.675 4.717 0.357 2 0 "[ . 1 . 2]" 1
1569 1 78 GLY H 1 79 GLY H . . 4.370 2.537 1.764 3.235 . 0 0 "[ . 1 . 2]" 1
1570 1 77 ARG HA 1 78 GLY H . . 3.490 3.381 2.197 3.565 0.075 16 0 "[ . 1 . 2]" 1
1571 1 77 ARG HG2 1 78 GLY H . . 5.500 4.422 4.024 5.222 . 0 0 "[ . 1 . 2]" 1
1572 1 77 ARG HG3 1 78 GLY H . . 5.500 5.063 4.521 6.001 0.501 17 1 "[ . 1 . + 2]" 1
1573 1 77 ARG HB2 1 78 GLY H . . 4.590 2.873 2.146 4.518 . 0 0 "[ . 1 . 2]" 1
1574 1 43 GLN QE 1 77 ARG H . . 4.740 4.271 4.004 4.438 . 0 0 "[ . 1 . 2]" 1
1575 1 76 LEU HA 1 77 ARG H . . 2.540 2.745 2.098 2.938 0.398 11 0 "[ . 1 . 2]" 1
1576 1 77 ARG H 1 77 ARG HD2 . . 5.500 4.098 3.241 4.745 . 0 0 "[ . 1 . 2]" 1
1577 1 77 ARG H 1 77 ARG HD3 . . 5.500 4.262 3.444 4.923 . 0 0 "[ . 1 . 2]" 1
1578 1 43 GLN QG 1 77 ARG H . . 4.360 1.981 1.766 2.294 . 0 0 "[ . 1 . 2]" 1
1579 1 43 GLN QB 1 76 LEU H . . 3.700 2.587 2.109 3.356 . 0 0 "[ . 1 . 2]" 1
1580 1 75 ARG HB3 1 76 LEU H . . 3.900 3.653 3.237 4.390 0.490 19 0 "[ . 1 . 2]" 1
1581 1 75 ARG HB2 1 76 LEU H . . 2.890 2.623 2.248 3.665 0.775 19 1 "[ . 1 . +2]" 1
1582 1 43 GLN QG 1 76 LEU H . . 4.960 2.260 1.803 3.514 . 0 0 "[ . 1 . 2]" 1
1583 1 75 ARG H 1 76 LEU H . . 3.670 2.052 1.867 2.532 . 0 0 "[ . 1 . 2]" 1
1584 1 76 LEU H 1 77 ARG H . . 3.680 2.919 2.695 4.303 0.623 19 1 "[ . 1 . +2]" 1
1585 1 74 LEU HA 1 76 LEU H . . 4.340 3.992 3.505 4.407 0.067 16 0 "[ . 1 . 2]" 1
1586 1 76 LEU H 1 76 LEU HA . . 2.540 2.273 2.232 2.627 0.087 19 0 "[ . 1 . 2]" 1
1587 1 46 LEU H 1 72 LEU MD2 . . 4.250 4.000 3.699 4.230 . 0 0 "[ . 1 . 2]" 1
1588 1 74 LEU MD2 1 75 ARG H . . 4.610 3.559 3.337 3.996 . 0 0 "[ . 1 . 2]" 1
1589 1 75 ARG H 1 75 ARG HB2 . . 3.040 2.609 2.463 2.784 . 0 0 "[ . 1 . 2]" 1
1590 1 44 GLN HA 1 75 ARG H . . 4.070 3.862 3.297 4.168 0.098 18 0 "[ . 1 . 2]" 1
1591 1 74 LEU HA 1 75 ARG H . . 2.870 2.225 2.133 2.307 . 0 0 "[ . 1 . 2]" 1
1592 1 45 ARG H 1 75 ARG H . . 5.410 5.480 4.412 5.927 0.517 18 1 "[ . 1 . + 2]" 1
1593 1 74 LEU H 1 75 ARG H . . 4.820 4.529 4.136 4.612 . 0 0 "[ . 1 . 2]" 1
1594 1 73 VAL H 1 74 LEU H . . 4.660 4.278 4.178 4.382 . 0 0 "[ . 1 . 2]" 1
1595 1 73 VAL HA 1 74 LEU H . . 2.830 2.116 2.078 2.157 . 0 0 "[ . 1 . 2]" 1
1596 1 72 LEU MD1 1 74 LEU H . . 4.230 3.528 3.278 3.956 . 0 0 "[ . 1 . 2]" 1
1597 1 74 LEU H 1 74 LEU MD2 . . 3.410 3.519 3.397 3.608 0.198 5 0 "[ . 1 . 2]" 1
1598 1 73 VAL QG 1 74 LEU H . . 2.960 2.920 2.627 3.160 0.200 13 0 "[ . 1 . 2]" 1
1599 1 11 LEU QD 1 74 LEU H . . 3.820 2.863 2.379 3.261 . 0 0 "[ . 1 . 2]" 1
1600 1 74 LEU H 1 74 LEU HG . . 2.990 2.538 2.390 2.687 . 0 0 "[ . 1 . 2]" 1
1601 1 73 VAL HB 1 74 LEU H . . 4.400 4.328 4.157 4.469 0.069 13 0 "[ . 1 . 2]" 1
1602 1 46 LEU H 1 73 VAL H . . 5.500 5.056 4.957 5.158 . 0 0 "[ . 1 . 2]" 1
1603 1 72 LEU H 1 73 VAL H . . 4.160 4.212 4.067 4.376 0.216 14 0 "[ . 1 . 2]" 1
1604 1 46 LEU HA 1 73 VAL H . . 4.710 4.262 4.071 4.451 . 0 0 "[ . 1 . 2]" 1
1605 1 71 HIS HB2 1 73 VAL H . . 5.500 5.941 5.723 6.087 0.587 2 7 "[ +**. * 1 *-. * 2]" 1
1606 1 71 HIS HB3 1 73 VAL H . . 5.500 5.283 4.898 5.474 . 0 0 "[ . 1 . 2]" 1
1607 1 72 LEU MD2 1 73 VAL H . . 3.260 2.669 2.402 2.985 . 0 0 "[ . 1 . 2]" 1
1608 1 72 LEU HB2 1 73 VAL H . . 4.730 4.379 4.284 4.477 . 0 0 "[ . 1 . 2]" 1
1609 1 73 VAL H 1 73 VAL HB . . 3.520 2.540 2.436 2.626 . 0 0 "[ . 1 . 2]" 1
1610 1 72 LEU MD1 1 73 VAL H . . 3.660 2.589 2.377 2.831 . 0 0 "[ . 1 . 2]" 1
1611 1 70 LEU H 1 71 HIS H . . 4.470 4.398 4.358 4.438 . 0 0 "[ . 1 . 2]" 1
1612 1 48 PHE HA 1 71 HIS H . . 3.250 3.113 2.878 3.431 0.181 20 0 "[ . 1 . 2]" 1
1613 1 47 ILE HA 1 71 HIS H . . 5.500 5.272 5.128 5.432 . 0 0 "[ . 1 . 2]" 1
1614 1 71 HIS H 1 72 LEU HA . . 5.500 5.339 5.172 5.549 0.049 20 0 "[ . 1 . 2]" 1
1615 1 71 HIS H 1 71 HIS HB2 . . 3.360 2.483 2.357 2.581 . 0 0 "[ . 1 . 2]" 1
1616 1 48 PHE HB2 1 71 HIS H . . 4.660 4.390 3.957 5.038 0.378 20 0 "[ . 1 . 2]" 1
1617 1 70 LEU HB2 1 71 HIS H . . 3.190 2.282 2.061 2.857 . 0 0 "[ . 1 . 2]" 1
1618 1 70 LEU HG 1 71 HIS H . . 3.610 3.914 3.686 4.497 0.887 14 3 "[ - . 1 +. *]" 1
1619 1 47 ILE MG 1 71 HIS H . . 4.050 4.062 3.688 4.378 0.328 5 0 "[ . 1 . 2]" 1
1620 1 71 HIS H 1 72 LEU HB2 . . 5.500 5.677 5.506 6.008 0.508 14 1 "[ . 1 +. 2]" 1
1621 1 7 PHE H 1 70 LEU H . . 4.920 4.554 4.341 4.851 . 0 0 "[ . 1 . 2]" 1
1622 1 69 THR HA 1 70 LEU H . . 3.070 2.135 2.086 2.207 . 0 0 "[ . 1 . 2]" 1
1623 1 69 THR HB 1 70 LEU H . . 4.210 4.119 3.886 4.244 0.034 14 0 "[ . 1 . 2]" 1
1624 1 70 LEU H 1 70 LEU HB3 . . 3.310 3.385 3.290 3.471 0.161 10 0 "[ . 1 . 2]" 1
1625 1 70 LEU H 1 70 LEU HG . . 3.650 2.778 2.624 3.092 . 0 0 "[ . 1 . 2]" 1
1626 1 69 THR H 1 70 LEU H . . 4.690 4.428 4.331 4.510 . 0 0 "[ . 1 . 2]" 1
1627 1 68 SER H 1 69 THR H . . 4.780 4.597 4.546 4.649 . 0 0 "[ . 1 . 2]" 1
1628 1 68 SER HA 1 69 THR H . . 2.800 2.201 2.149 2.289 . 0 0 "[ . 1 . 2]" 1
1629 1 69 THR H 1 70 LEU HA . . 5.340 5.272 5.119 5.374 0.034 4 0 "[ . 1 . 2]" 1
1630 1 69 THR H 1 69 THR HB . . 3.030 2.617 2.560 2.675 . 0 0 "[ . 1 . 2]" 1
1631 1 68 SER HB2 1 69 THR H . . 4.000 4.101 3.909 4.198 0.198 6 0 "[ . 1 . 2]" 1
1632 1 68 SER HB3 1 69 THR H . . 4.000 3.105 2.815 3.264 . 0 0 "[ . 1 . 2]" 1
1633 1 64 ILE MG 1 69 THR H . . 4.920 4.974 4.586 5.114 0.194 15 0 "[ . 1 . 2]" 1
1634 1 69 THR H 1 70 LEU QD . . 4.620 4.203 3.985 4.398 . 0 0 "[ . 1 . 2]" 1
1635 1 69 THR H 1 69 THR MG . . 4.020 3.871 3.849 3.897 . 0 0 "[ . 1 . 2]" 1
1636 1 69 THR H 1 70 LEU HB3 . . 5.320 5.475 5.160 5.778 0.458 11 0 "[ . 1 . 2]" 1
1637 1 6 ILE MG 1 68 SER H . . 3.020 2.399 2.162 2.546 . 0 0 "[ . 1 . 2]" 1
1638 1 64 ILE MG 1 68 SER H . . 4.110 3.807 3.642 3.926 . 0 0 "[ . 1 . 2]" 1
1639 1 66 LYS HG3 1 68 SER H . . 5.130 5.160 4.954 5.378 0.248 1 0 "[ . 1 . 2]" 1
1640 1 6 ILE HB 1 68 SER H . . 4.060 4.017 3.745 4.203 0.143 15 0 "[ . 1 . 2]" 1
1641 1 66 LYS HB2 1 68 SER H . . 5.110 5.026 4.924 5.206 0.096 4 0 "[ . 1 . 2]" 1
1642 1 65 GLN HG3 1 68 SER H . . 3.950 3.576 3.342 4.001 0.051 7 0 "[ . 1 . 2]" 1
1643 1 67 GLU HB2 1 68 SER H . . 4.170 3.875 3.710 4.087 . 0 0 "[ . 1 . 2]" 1
1644 1 67 GLU HA 1 68 SER H . . 3.330 3.236 3.107 3.340 0.010 19 0 "[ . 1 . 2]" 1
1645 1 66 LYS HA 1 68 SER H . . 3.300 3.416 3.304 3.547 0.247 4 0 "[ . 1 . 2]" 1
1646 1 6 ILE HA 1 68 SER H . . 3.710 3.503 3.397 3.641 . 0 0 "[ . 1 . 2]" 1
1647 1 7 PHE H 1 68 SER H . . 4.060 4.145 3.976 4.328 0.268 12 0 "[ . 1 . 2]" 1
1648 1 67 GLU H 1 68 SER H . . 3.230 2.792 2.601 2.956 . 0 0 "[ . 1 . 2]" 1
1649 1 66 LYS HB2 1 67 GLU H . . 3.520 2.934 2.745 3.251 . 0 0 "[ . 1 . 2]" 1
1650 1 66 LYS HB3 1 67 GLU H . . 4.170 4.013 3.871 4.170 0.000 4 0 "[ . 1 . 2]" 1
1651 1 5 GLN HB2 1 67 GLU H . . 5.010 4.770 4.193 5.137 0.127 13 0 "[ . 1 . 2]" 1
1652 1 6 ILE HB 1 67 GLU H . . 5.340 4.289 3.902 4.915 . 0 0 "[ . 1 . 2]" 1
1653 1 5 GLN HB3 1 67 GLU H . . 4.660 5.015 4.782 5.163 0.503 3 2 "[ + . -1 . 2]" 1
1654 1 66 LYS HG3 1 67 GLU H . . 4.340 4.185 3.941 4.398 0.058 4 0 "[ . 1 . 2]" 1
1655 1 67 GLU H 1 67 GLU HB2 . . 3.920 3.638 3.487 3.769 . 0 0 "[ . 1 . 2]" 1
1656 1 66 LYS HE2 1 67 GLU H . . 5.490 4.920 4.397 5.522 0.032 4 0 "[ . 1 . 2]" 1
1657 1 66 LYS HE3 1 67 GLU H . . 5.500 5.232 4.167 6.178 0.678 7 7 "[*** .*+- * . 2]" 1
1658 1 6 ILE HA 1 67 GLU H . . 3.860 2.479 2.198 3.011 . 0 0 "[ . 1 . 2]" 1
1659 1 5 GLN H 1 67 GLU H . . 4.030 4.301 3.892 4.685 0.655 11 2 "[ . 1+ . -]" 1
1660 1 7 PHE H 1 67 GLU H . . 4.510 4.497 4.218 4.929 0.419 10 0 "[ . 1 . 2]" 1
1661 1 66 LYS H 1 67 GLU H . . 4.810 4.581 4.503 4.608 . 0 0 "[ . 1 . 2]" 1
1662 1 66 LYS H 1 68 SER H . . 4.810 4.670 4.592 4.734 . 0 0 "[ . 1 . 2]" 1
1663 1 65 GLN H 1 66 LYS H . . 4.360 4.441 4.312 4.550 0.190 19 0 "[ . 1 . 2]" 1
1664 1 65 GLN HE22 1 66 LYS H . . 5.060 4.952 4.728 5.115 0.055 17 0 "[ . 1 . 2]" 1
1665 1 65 GLN HE21 1 66 LYS H . . 5.480 3.498 3.253 3.666 . 0 0 "[ . 1 . 2]" 1
1666 1 65 GLN HA 1 66 LYS H . . 2.820 2.622 2.557 2.711 . 0 0 "[ . 1 . 2]" 1
1667 1 22 PRO HB3 1 66 LYS H . . 3.900 3.433 2.868 3.883 . 0 0 "[ . 1 . 2]" 1
1668 1 66 LYS H 1 66 LYS HB3 . . 2.680 2.590 2.492 2.680 0.000 1 0 "[ . 1 . 2]" 1
1669 1 66 LYS H 1 66 LYS HG2 . . 3.090 2.219 2.075 2.450 . 0 0 "[ . 1 . 2]" 1
1670 1 64 ILE MG 1 66 LYS H . . 5.430 5.163 5.015 5.326 . 0 0 "[ . 1 . 2]" 1
1671 1 6 ILE MG 1 66 LYS H . . 4.490 4.132 3.874 4.350 . 0 0 "[ . 1 . 2]" 1
1672 1 65 GLN HG3 1 66 LYS H . . 3.380 3.264 2.929 3.459 0.079 19 0 "[ . 1 . 2]" 1
1673 1 66 LYS H 1 67 GLU HB2 . . 5.500 5.671 5.541 5.792 0.292 7 0 "[ . 1 . 2]" 1
1674 1 64 ILE MG 1 65 GLN H . . 3.110 2.933 2.405 3.386 0.276 19 0 "[ . 1 . 2]" 1
1675 1 6 ILE MG 1 65 GLN H . . 4.290 4.559 4.096 5.020 0.730 3 2 "[ + . 1 . -2]" 1
1676 1 64 ILE HG13 1 65 GLN H . . 4.910 5.079 5.052 5.115 0.205 11 0 "[ . 1 . 2]" 1
1677 1 64 ILE HB 1 65 GLN H . . 4.140 4.155 3.834 4.364 0.224 19 0 "[ . 1 . 2]" 1
1678 1 65 GLN H 1 65 GLN QB . . 3.200 2.888 2.700 3.109 . 0 0 "[ . 1 . 2]" 1
1679 1 65 GLN H 1 65 GLN HG2 . . 3.170 2.357 2.214 2.641 . 0 0 "[ . 1 . 2]" 1
1680 1 65 GLN H 1 65 GLN HG3 . . 3.270 2.959 2.765 3.204 . 0 0 "[ . 1 . 2]" 1
1681 1 59 LEU HB3 1 65 GLN H . . 4.760 4.923 4.511 5.132 0.372 18 0 "[ . 1 . 2]" 1
1682 1 22 PRO HB3 1 65 GLN H . . 5.340 5.116 4.834 5.672 0.332 9 0 "[ . 1 . 2]" 1
1683 1 64 ILE HA 1 65 GLN H . . 2.800 2.188 2.147 2.249 . 0 0 "[ . 1 . 2]" 1
1684 1 65 GLN H 1 68 SER HB3 . . 3.990 3.571 3.247 3.790 . 0 0 "[ . 1 . 2]" 1
1685 1 65 GLN H 1 68 SER HB2 . . 3.990 3.112 2.618 3.482 . 0 0 "[ . 1 . 2]" 1
1686 1 65 GLN H 1 68 SER HA . . 4.610 4.878 4.698 5.058 0.448 3 0 "[ . 1 . 2]" 1
1687 1 65 GLN H 1 65 GLN HE21 . . 5.200 5.115 4.943 5.353 0.153 7 0 "[ . 1 . 2]" 1
1688 1 64 ILE H 1 64 ILE HG12 . . 4.250 3.588 3.452 3.756 . 0 0 "[ . 1 . 2]" 1
1689 1 64 ILE H 1 64 ILE MD . . 3.470 3.384 3.303 3.471 0.001 14 0 "[ . 1 . 2]" 1
1690 1 64 ILE H 1 64 ILE HG13 . . 3.320 2.149 2.001 2.322 . 0 0 "[ . 1 . 2]" 1
1691 1 64 ILE H 1 64 ILE HB . . 3.070 2.632 2.581 2.678 . 0 0 "[ . 1 . 2]" 1
1692 1 59 LEU HB3 1 64 ILE H . . 4.360 4.163 4.047 4.241 . 0 0 "[ . 1 . 2]" 1
1693 1 62 TYR QB 1 64 ILE H . . 4.620 3.398 3.176 3.594 . 0 0 "[ . 1 . 2]" 1
1694 1 63 ASN HB2 1 64 ILE H . . 4.440 4.010 3.858 4.160 . 0 0 "[ . 1 . 2]" 1
1695 1 59 LEU HA 1 64 ILE H . . 4.490 4.189 4.105 4.295 . 0 0 "[ . 1 . 2]" 1
1696 1 64 ILE H 1 65 GLN HA . . 5.050 5.226 5.042 5.418 0.368 5 0 "[ . 1 . 2]" 1
1697 1 62 TYR HA 1 64 ILE H . . 5.050 4.551 4.424 4.699 . 0 0 "[ . 1 . 2]" 1
1698 1 64 ILE H 1 65 GLN H . . 4.490 4.393 4.185 4.546 0.056 15 0 "[ . 1 . 2]" 1
1699 1 63 ASN QD 1 64 ILE H . . 5.140 4.572 4.238 4.831 . 0 0 "[ . 1 . 2]" 1
1700 1 61 ASP H 1 64 ILE H . . 4.850 4.635 4.492 4.752 . 0 0 "[ . 1 . 2]" 1
1701 1 60 SER H 1 64 ILE H . . 4.710 4.644 4.472 4.816 0.106 5 0 "[ . 1 . 2]" 1
1702 1 63 ASN H 1 64 ILE HG13 . . 4.120 4.041 3.904 4.113 . 0 0 "[ . 1 . 2]" 1
1703 1 63 ASN H 1 64 ILE HB . . 5.150 4.997 4.898 5.084 . 0 0 "[ . 1 . 2]" 1
1704 1 62 TYR QB 1 63 ASN H . . 4.190 3.679 3.613 3.734 . 0 0 "[ . 1 . 2]" 1
1705 1 63 ASN H 1 63 ASN HB2 . . 3.640 3.654 3.609 3.711 0.071 16 0 "[ . 1 . 2]" 1
1706 1 63 ASN H 1 63 ASN HB3 . . 4.110 4.141 4.093 4.181 0.071 1 0 "[ . 1 . 2]" 1
1707 1 60 SER QB 1 63 ASN H . . 5.380 4.948 4.634 5.206 . 0 0 "[ . 1 . 2]" 1
1708 1 63 ASN H 1 63 ASN HA . . 2.640 2.254 2.242 2.269 . 0 0 "[ . 1 . 2]" 1
1709 1 60 SER HA 1 63 ASN H . . 3.590 3.520 3.328 3.786 0.196 1 0 "[ . 1 . 2]" 1
1710 1 63 ASN H 1 63 ASN QD . . 4.480 2.914 2.233 3.266 . 0 0 "[ . 1 . 2]" 1
1711 1 62 TYR H 1 63 ASN H . . 2.990 2.721 2.653 2.795 . 0 0 "[ . 1 . 2]" 1
1712 1 63 ASN H 1 64 ILE H . . 3.200 2.599 2.515 2.665 . 0 0 "[ . 1 . 2]" 1
1713 1 61 ASP H 1 63 ASN H . . 4.220 3.937 3.714 4.136 . 0 0 "[ . 1 . 2]" 1
1714 1 62 TYR H 1 64 ILE HG12 . . 5.500 5.688 5.581 5.819 0.319 3 0 "[ . 1 . 2]" 1
1715 1 62 TYR H 1 64 ILE HG13 . . 4.190 4.017 3.887 4.173 . 0 0 "[ . 1 . 2]" 1
1716 1 62 TYR H 1 64 ILE HB . . 4.400 4.578 4.470 4.704 0.304 15 0 "[ . 1 . 2]" 1
1717 1 60 SER H 1 62 TYR H . . 4.320 4.363 4.241 4.454 0.134 13 0 "[ . 1 . 2]" 1
1718 1 62 TYR H 1 63 ASN QD . . 4.890 4.647 4.176 4.871 . 0 0 "[ . 1 . 2]" 1
1719 1 58 THR HB 1 62 TYR H . . 5.070 5.589 5.500 5.721 0.651 5 13 "[** *+*- *** **.* *2]" 1
1720 1 60 SER QB 1 62 TYR H . . 5.210 4.957 4.843 5.079 . 0 0 "[ . 1 . 2]" 1
1721 1 62 TYR H 1 62 TYR QB . . 3.290 2.256 2.212 2.296 . 0 0 "[ . 1 . 2]" 1
1722 1 61 ASP HB3 1 62 TYR H . . 3.710 2.590 2.430 2.842 . 0 0 "[ . 1 . 2]" 1
1723 1 57 ARG QD 1 62 TYR H . . 5.160 4.964 4.747 5.151 . 0 0 "[ . 1 . 2]" 1
1724 1 61 ASP HB2 1 62 TYR H . . 3.720 3.826 3.640 3.911 0.191 18 0 "[ . 1 . 2]" 1
1725 1 58 THR H 1 61 ASP H . . 3.680 3.533 3.360 3.703 0.023 9 0 "[ . 1 . 2]" 1
1726 1 60 SER H 1 61 ASP H . . 3.280 2.693 2.598 2.801 . 0 0 "[ . 1 . 2]" 1
1727 1 59 LEU H 1 61 ASP H . . 4.460 4.018 3.954 4.071 . 0 0 "[ . 1 . 2]" 1
1728 1 61 ASP H 1 62 TYR H . . 3.070 2.565 2.462 2.618 . 0 0 "[ . 1 . 2]" 1
1729 1 58 THR HA 1 61 ASP H . . 4.640 4.521 4.410 4.648 0.008 9 0 "[ . 1 . 2]" 1
1730 1 58 THR HB 1 61 ASP H . . 3.470 3.488 3.361 3.550 0.080 5 0 "[ . 1 . 2]" 1
1731 1 59 LEU HA 1 61 ASP H . . 4.650 4.155 4.093 4.202 . 0 0 "[ . 1 . 2]" 1
1732 1 60 SER QB 1 61 ASP H . . 3.630 2.975 2.874 3.124 . 0 0 "[ . 1 . 2]" 1
1733 1 61 ASP H 1 62 TYR QB . . 4.790 4.472 4.385 4.560 . 0 0 "[ . 1 . 2]" 1
1734 1 22 PRO HB2 1 61 ASP H . . 5.500 5.874 5.709 6.095 0.595 12 3 "[ . 1 + *. - 2]" 1
1735 1 61 ASP H 1 61 ASP HB2 . . 3.110 2.528 2.421 2.660 . 0 0 "[ . 1 . 2]" 1
1736 1 61 ASP H 1 61 ASP HB3 . . 3.070 2.559 2.416 2.695 . 0 0 "[ . 1 . 2]" 1
1737 1 58 THR MG 1 61 ASP H . . 4.540 4.310 4.167 4.517 . 0 0 "[ . 1 . 2]" 1
1738 1 60 SER H 1 64 ILE MD . . 4.850 4.949 4.821 5.043 0.193 19 0 "[ . 1 . 2]" 1
1739 1 59 LEU QD 1 60 SER H . . 4.450 4.025 3.977 4.091 . 0 0 "[ . 1 . 2]" 1
1740 1 26 ILE MD 1 60 SER H . . 4.990 4.828 4.742 4.902 . 0 0 "[ . 1 . 2]" 1
1741 1 59 LEU HB2 1 60 SER H . . 3.270 2.418 2.342 2.512 . 0 0 "[ . 1 . 2]" 1
1742 1 60 SER H 1 64 ILE HB . . 4.320 4.257 4.145 4.373 0.053 11 0 "[ . 1 . 2]" 1
1743 1 59 LEU HG 1 60 SER H . . 4.600 4.406 4.367 4.481 . 0 0 "[ . 1 . 2]" 1
1744 1 59 LEU HB3 1 60 SER H . . 3.400 3.371 3.287 3.495 0.095 5 0 "[ . 1 . 2]" 1
1745 1 22 PRO HB3 1 60 SER H . . 4.180 4.290 4.092 4.453 0.273 18 0 "[ . 1 . 2]" 1
1746 1 60 SER H 1 61 ASP HB2 . . 4.920 4.973 4.784 5.062 0.142 13 0 "[ . 1 . 2]" 1
1747 1 22 PRO HB2 1 60 SER H . . 4.060 3.563 3.413 3.758 . 0 0 "[ . 1 . 2]" 1
1748 1 60 SER H 1 61 ASP HB3 . . 5.500 5.024 4.765 5.232 . 0 0 "[ . 1 . 2]" 1
1749 1 60 SER H 1 60 SER QB . . 3.050 2.249 2.217 2.313 . 0 0 "[ . 1 . 2]" 1
1750 1 22 PRO HA 1 60 SER H . . 3.460 3.379 3.167 3.544 0.084 1 0 "[ . 1 . 2]" 1
1751 1 58 THR HB 1 60 SER H . . 3.220 2.815 2.640 3.053 . 0 0 "[ . 1 . 2]" 1
1752 1 58 THR HA 1 60 SER H . . 4.980 4.504 4.353 4.710 . 0 0 "[ . 1 . 2]" 1
1753 1 59 LEU H 1 60 SER H . . 3.330 2.760 2.671 2.904 . 0 0 "[ . 1 . 2]" 1
1754 1 59 LEU H 1 64 ILE MD . . 4.820 4.643 4.467 4.777 . 0 0 "[ . 1 . 2]" 1
1755 1 26 ILE MD 1 59 LEU H . . 3.390 3.152 3.005 3.249 . 0 0 "[ . 1 . 2]" 1
1756 1 59 LEU H 1 59 LEU QD . . 3.770 3.195 3.153 3.254 . 0 0 "[ . 1 . 2]" 1
1757 1 29 VAL MG2 1 59 LEU H . . 4.350 4.059 3.899 4.266 . 0 0 "[ . 1 . 2]" 1
1758 1 59 LEU H 1 59 LEU HB2 . . 3.340 2.467 2.435 2.493 . 0 0 "[ . 1 . 2]" 1
1759 1 26 ILE QG 1 59 LEU H . . 4.010 3.845 3.668 4.163 0.153 18 0 "[ . 1 . 2]" 1
1760 1 59 LEU H 1 59 LEU HG . . 3.300 2.439 2.379 2.530 . 0 0 "[ . 1 . 2]" 1
1761 1 59 LEU H 1 59 LEU HB3 . . 3.670 3.617 3.602 3.626 . 0 0 "[ . 1 . 2]" 1
1762 1 59 LEU H 1 62 TYR QB . . 5.500 5.599 5.500 5.717 0.217 5 0 "[ . 1 . 2]" 1
1763 1 59 LEU H 1 60 SER HA . . 5.500 5.377 5.285 5.497 . 0 0 "[ . 1 . 2]" 1
1764 1 23 SER HA 1 59 LEU H . . 4.440 4.527 4.141 4.842 0.402 2 0 "[ . 1 . 2]" 1
1765 1 58 THR HB 1 59 LEU H . . 3.250 2.359 2.295 2.438 . 0 0 "[ . 1 . 2]" 1
1766 1 25 THR HA 1 59 LEU H . . 3.990 3.773 3.557 4.120 0.130 7 0 "[ . 1 . 2]" 1
1767 1 58 THR HA 1 59 LEU H . . 3.420 2.417 2.362 2.469 . 0 0 "[ . 1 . 2]" 1
1768 1 59 LEU H 1 62 TYR H . . 5.270 5.161 5.095 5.274 0.004 5 0 "[ . 1 . 2]" 1
1769 1 25 THR H 1 59 LEU H . . 4.730 4.201 3.833 5.060 0.330 18 0 "[ . 1 . 2]" 1
1770 1 24 ASP H 1 59 LEU H . . 4.480 4.141 3.934 4.391 . 0 0 "[ . 1 . 2]" 1
1771 1 26 ILE H 1 59 LEU H . . 4.530 4.381 4.111 4.606 0.076 18 0 "[ . 1 . 2]" 1
1772 1 26 ILE H 1 58 THR H . . 4.990 4.680 4.570 4.832 . 0 0 "[ . 1 . 2]" 1
1773 1 58 THR H 1 60 SER H . . 5.490 5.209 4.944 5.422 . 0 0 "[ . 1 . 2]" 1
1774 1 58 THR H 1 59 LEU H . . 4.490 4.499 4.465 4.534 0.044 1 0 "[ . 1 . 2]" 1
1775 1 57 ARG H 1 58 THR H . . 4.570 4.542 4.502 4.566 . 0 0 "[ . 1 . 2]" 1
1776 1 58 THR H 1 62 TYR H . . 4.530 4.529 4.365 4.642 0.112 16 0 "[ . 1 . 2]" 1
1777 1 25 THR HA 1 58 THR H . . 5.010 4.537 4.395 4.774 . 0 0 "[ . 1 . 2]" 1
1778 1 58 THR H 1 58 THR HB . . 3.850 3.764 3.727 3.797 . 0 0 "[ . 1 . 2]" 1
1779 1 58 THR H 1 61 ASP HA . . 4.750 4.800 4.645 4.969 0.219 3 0 "[ . 1 . 2]" 1
1780 1 58 THR H 1 59 LEU HA . . 5.460 5.384 5.331 5.476 0.016 2 0 "[ . 1 . 2]" 1
1781 1 26 ILE QG 1 58 THR H . . 4.200 3.729 3.617 3.823 . 0 0 "[ . 1 . 2]" 1
1782 1 57 ARG HG2 1 58 THR H . . 4.360 3.943 3.826 4.072 . 0 0 "[ . 1 . 2]" 1
1783 1 58 THR H 1 61 ASP HB2 . . 3.340 2.424 2.188 2.743 . 0 0 "[ . 1 . 2]" 1
1784 1 58 THR H 1 61 ASP HB3 . . 3.480 2.384 2.185 2.590 . 0 0 "[ . 1 . 2]" 1
1785 1 26 ILE MD 1 58 THR H . . 4.660 4.557 4.378 4.676 0.016 8 0 "[ . 1 . 2]" 1
1786 1 55 ASP H 1 57 ARG H . . 4.210 4.226 4.139 4.414 0.204 14 0 "[ . 1 . 2]" 1
1787 1 54 GLU H 1 57 ARG H . . 4.680 4.649 4.419 4.743 0.063 18 0 "[ . 1 . 2]" 1
1788 1 26 ILE H 1 57 ARG H . . 4.530 4.485 4.332 4.684 0.154 8 0 "[ . 1 . 2]" 1
1789 1 57 ARG H 1 58 THR HA . . 5.270 5.454 5.347 5.529 0.259 8 0 "[ . 1 . 2]" 1
1790 1 54 GLU HA 1 57 ARG H . . 4.560 4.786 4.590 4.946 0.386 14 0 "[ . 1 . 2]" 1
1791 1 55 ASP HA 1 57 ARG H . . 4.000 4.225 4.001 4.362 0.362 20 0 "[ . 1 . 2]" 1
1792 1 57 ARG H 1 57 ARG QB . . 3.110 2.390 2.355 2.430 . 0 0 "[ . 1 . 2]" 1
1793 1 54 GLU HB3 1 57 ARG H . . 3.610 3.241 2.808 3.561 . 0 0 "[ . 1 . 2]" 1
1794 1 57 ARG H 1 57 ARG HG2 . . 3.300 3.586 3.454 3.642 0.342 11 0 "[ . 1 . 2]" 1
1795 1 57 ARG H 1 57 ARG HG3 . . 3.430 2.493 2.375 2.615 . 0 0 "[ . 1 . 2]" 1
1796 1 26 ILE MD 1 54 GLU H . . 4.360 4.665 4.108 4.992 0.632 18 1 "[ . 1 . + 2]" 1
1797 1 53 LEU MD2 1 54 GLU H . . 4.620 3.949 3.782 4.037 . 0 0 "[ . 1 . 2]" 1
1798 1 26 ILE MG 1 54 GLU H . . 4.270 3.793 3.343 4.095 . 0 0 "[ . 1 . 2]" 1
1799 1 53 LEU HB2 1 54 GLU H . . 4.130 4.152 3.653 4.281 0.151 1 0 "[ . 1 . 2]" 1
1800 1 54 GLU H 1 57 ARG HG3 . . 4.440 4.454 4.250 4.558 0.118 9 0 "[ . 1 . 2]" 1
1801 1 53 LEU HB3 1 54 GLU H . . 4.050 3.398 2.650 3.668 . 0 0 "[ . 1 . 2]" 1
1802 1 26 ILE QG 1 54 GLU H . . 3.760 3.447 2.819 3.617 . 0 0 "[ . 1 . 2]" 1
1803 1 54 GLU H 1 54 GLU HB3 . . 3.990 2.374 2.298 2.540 . 0 0 "[ . 1 . 2]" 1
1804 1 54 GLU H 1 57 ARG QB . . 3.610 3.369 3.151 3.499 . 0 0 "[ . 1 . 2]" 1
1805 1 26 ILE HB 1 54 GLU H . . 4.050 4.791 4.220 5.019 0.969 12 19 "[***********+**-*** *]" 1
1806 1 54 GLU H 1 57 ARG QD . . 4.650 3.165 2.875 3.467 . 0 0 "[ . 1 . 2]" 1
1807 1 53 LEU HA 1 54 GLU H . . 3.200 2.161 2.108 2.356 . 0 0 "[ . 1 . 2]" 1
1808 1 54 GLU H 1 55 ASP H . . 4.600 4.551 4.442 4.596 . 0 0 "[ . 1 . 2]" 1
1809 1 53 LEU H 1 53 LEU MD2 . . 3.570 2.981 2.825 3.102 . 0 0 "[ . 1 . 2]" 1
1810 1 26 ILE MG 1 53 LEU H . . 4.950 4.304 4.058 4.627 . 0 0 "[ . 1 . 2]" 1
1811 1 47 ILE MG 1 53 LEU H . . 5.500 4.836 4.422 5.165 . 0 0 "[ . 1 . 2]" 1
1812 1 53 LEU H 1 53 LEU HB2 . . 3.970 2.614 2.555 2.682 . 0 0 "[ . 1 . 2]" 1
1813 1 46 LEU HB2 1 53 LEU H . . 4.700 3.709 3.271 5.092 0.392 4 0 "[ . 1 . 2]" 1
1814 1 47 ILE HG13 1 53 LEU H . . 4.980 4.186 3.960 4.449 . 0 0 "[ . 1 . 2]" 1
1815 1 46 LEU MD1 1 53 LEU H . . 5.000 5.173 5.098 5.268 0.268 6 0 "[ . 1 . 2]" 1
1816 1 53 LEU H 1 53 LEU HG . . 3.300 2.362 2.216 2.506 . 0 0 "[ . 1 . 2]" 1
1817 1 46 LEU HB3 1 53 LEU H . . 4.260 3.406 3.256 3.579 . 0 0 "[ . 1 . 2]" 1
1818 1 52 GLN HG2 1 53 LEU H . . 4.710 2.980 2.518 3.558 . 0 0 "[ . 1 . 2]" 1
1819 1 47 ILE HB 1 53 LEU H . . 5.500 5.663 5.356 5.998 0.498 20 0 "[ . 1 . 2]" 1
1820 1 52 GLN HG3 1 53 LEU H . . 4.710 3.468 2.711 4.834 0.124 13 0 "[ . 1 . 2]" 1
1821 1 53 LEU H 1 54 GLU HA . . 5.500 5.299 5.167 5.474 . 0 0 "[ . 1 . 2]" 1
1822 1 52 GLN HA 1 53 LEU H . . 3.520 2.210 2.162 2.268 . 0 0 "[ . 1 . 2]" 1
1823 1 47 ILE HA 1 53 LEU H . . 3.970 3.014 2.577 3.415 . 0 0 "[ . 1 . 2]" 1
1824 1 53 LEU H 1 54 GLU H . . 4.710 4.447 4.292 4.638 . 0 0 "[ . 1 . 2]" 1
1825 1 48 PHE H 1 53 LEU H . . 4.280 4.325 3.849 4.583 0.303 14 0 "[ . 1 . 2]" 1
1826 1 47 ILE MG 1 52 GLN H . . 4.070 4.122 3.835 4.351 0.281 8 0 "[ . 1 . 2]" 1
1827 1 52 GLN H 1 53 LEU MD2 . . 4.900 4.690 4.496 4.976 0.076 19 0 "[ . 1 . 2]" 1
1828 1 47 ILE HG13 1 52 GLN H . . 5.170 5.629 5.290 5.877 0.707 2 9 "[ +-** * 1* **. *2]" 1
1829 1 51 LYS QG 1 52 GLN H . . 3.790 3.824 3.629 4.014 0.224 9 0 "[ . 1 . 2]" 1
1830 1 51 LYS HB2 1 52 GLN H . . 3.260 3.100 2.843 3.388 0.128 1 0 "[ . 1 . 2]" 1
1831 1 52 GLN H 1 52 GLN HB2 . . 3.390 2.612 2.373 2.773 . 0 0 "[ . 1 . 2]" 1
1832 1 52 GLN H 1 52 GLN HB3 . . 3.390 2.583 2.421 2.860 . 0 0 "[ . 1 . 2]" 1
1833 1 51 LYS H 1 52 GLN H . . 4.730 4.512 4.428 4.606 . 0 0 "[ . 1 . 2]" 1
1834 1 52 GLN H 1 53 LEU H . . 4.690 4.581 4.504 4.621 . 0 0 "[ . 1 . 2]" 1
1835 1 47 ILE MG 1 51 LYS H . . 3.200 2.877 2.416 3.328 0.128 2 0 "[ . 1 . 2]" 1
1836 1 49 ALA MB 1 51 LYS H . . 3.350 3.535 3.350 3.699 0.349 18 0 "[ . 1 . 2]" 1
1837 1 51 LYS H 1 51 LYS QG . . 3.060 2.291 2.064 2.500 . 0 0 "[ . 1 . 2]" 1
1838 1 51 LYS H 1 51 LYS HB3 . . 2.870 2.856 2.591 3.136 0.266 16 0 "[ . 1 . 2]" 1
1839 1 51 LYS H 1 51 LYS HE2 . . 4.870 3.702 3.144 4.253 . 0 0 "[ . 1 . 2]" 1
1840 1 51 LYS H 1 51 LYS HE3 . . 4.870 3.480 2.951 3.971 . 0 0 "[ . 1 . 2]" 1
1841 1 49 ALA HA 1 51 LYS H . . 4.440 4.612 4.540 4.729 0.289 16 0 "[ . 1 . 2]" 1
1842 1 48 PHE HA 1 51 LYS H . . 4.990 4.800 4.571 5.040 0.050 2 0 "[ . 1 . 2]" 1
1843 1 49 ALA H 1 51 LYS H . . 4.410 4.415 4.331 4.519 0.109 14 0 "[ . 1 . 2]" 1
1844 1 49 ALA H 1 50 GLY H . . 3.420 2.710 2.621 2.778 . 0 0 "[ . 1 . 2]" 1
1845 1 48 PHE H 1 50 GLY H . . 4.570 3.887 3.703 4.077 . 0 0 "[ . 1 . 2]" 1
1846 1 50 GLY H 1 51 LYS H . . 3.290 2.548 2.381 2.719 . 0 0 "[ . 1 . 2]" 1
1847 1 48 PHE HA 1 50 GLY H . . 4.120 3.688 3.463 3.822 . 0 0 "[ . 1 . 2]" 1
1848 1 49 ALA HA 1 50 GLY H . . 3.100 3.058 2.995 3.110 0.010 11 0 "[ . 1 . 2]" 1
1849 1 50 GLY H 1 51 LYS HB3 . . 5.330 5.263 5.057 5.431 0.101 5 0 "[ . 1 . 2]" 1
1850 1 49 ALA MB 1 50 GLY H . . 3.660 3.618 3.576 3.673 0.013 5 0 "[ . 1 . 2]" 1
1851 1 50 GLY H 1 51 LYS QG . . 4.390 4.248 4.033 4.357 . 0 0 "[ . 1 . 2]" 1
1852 1 47 ILE MG 1 50 GLY H . . 3.240 2.421 2.351 2.519 . 0 0 "[ . 1 . 2]" 1
1853 1 48 PHE HA 1 49 ALA H . . 3.060 2.176 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
1854 1 49 ALA H 1 49 ALA HA . . 2.880 2.261 2.253 2.269 . 0 0 "[ . 1 . 2]" 1
1855 1 49 ALA H 1 50 GLY HA2 . . 4.830 4.979 4.861 5.051 0.221 15 0 "[ . 1 . 2]" 1
1856 1 49 ALA H 1 50 GLY HA3 . . 5.400 5.331 5.234 5.404 0.004 15 0 "[ . 1 . 2]" 1
1857 1 48 PHE HB2 1 49 ALA H . . 4.590 4.299 4.197 4.395 . 0 0 "[ . 1 . 2]" 1
1858 1 48 PHE HB3 1 49 ALA H . . 4.530 4.291 4.152 4.390 . 0 0 "[ . 1 . 2]" 1
1859 1 47 ILE HB 1 49 ALA H . . 5.500 6.010 5.846 6.137 0.637 10 11 "[ **-*** + ** .* *]" 1
1860 1 49 ALA H 1 51 LYS QG . . 5.500 5.003 4.843 5.171 . 0 0 "[ . 1 . 2]" 1
1861 1 49 ALA H 1 70 LEU HB2 . . 5.500 4.848 4.472 5.377 . 0 0 "[ . 1 . 2]" 1
1862 1 49 ALA H 1 49 ALA MB . . 2.990 2.920 2.888 2.962 . 0 0 "[ . 1 . 2]" 1
1863 1 47 ILE MG 1 49 ALA H . . 3.980 3.830 3.664 3.953 . 0 0 "[ . 1 . 2]" 1
1864 1 48 PHE H 1 49 ALA MB . . 4.630 4.693 4.515 4.838 0.208 15 0 "[ . 1 . 2]" 1
1865 1 48 PHE H 1 53 LEU MD2 . . 3.970 2.331 2.083 2.617 . 0 0 "[ . 1 . 2]" 1
1866 1 48 PHE H 1 53 LEU HG . . 4.120 3.125 2.834 3.467 . 0 0 "[ . 1 . 2]" 1
1867 1 47 ILE HG12 1 48 PHE H . . 4.770 4.426 4.262 4.541 . 0 0 "[ . 1 . 2]" 1
1868 1 47 ILE HG13 1 48 PHE H . . 4.880 5.008 4.933 5.073 0.193 13 0 "[ . 1 . 2]" 1
1869 1 48 PHE H 1 51 LYS QD . . 4.850 4.821 4.591 4.988 0.138 13 0 "[ . 1 . 2]" 1
1870 1 47 ILE HB 1 48 PHE H . . 4.480 4.291 4.222 4.396 . 0 0 "[ . 1 . 2]" 1
1871 1 48 PHE H 1 51 LYS QG . . 4.410 3.011 2.739 3.223 . 0 0 "[ . 1 . 2]" 1
1872 1 48 PHE H 1 71 HIS HB2 . . 5.310 5.585 5.342 5.825 0.515 10 2 "[ . + . -]" 1
1873 1 48 PHE H 1 48 PHE HB3 . . 3.950 2.654 2.560 2.791 . 0 0 "[ . 1 . 2]" 1
1874 1 48 PHE H 1 48 PHE HB2 . . 3.990 3.200 3.078 3.303 . 0 0 "[ . 1 . 2]" 1
1875 1 48 PHE H 1 50 GLY HA2 . . 5.500 5.408 5.223 5.637 0.137 7 0 "[ . 1 . 2]" 1
1876 1 48 PHE H 1 53 LEU HA . . 5.500 5.219 5.030 5.574 0.074 14 0 "[ . 1 . 2]" 1
1877 1 47 ILE HA 1 48 PHE H . . 3.180 2.168 2.134 2.195 . 0 0 "[ . 1 . 2]" 1
1878 1 48 PHE H 1 52 GLN HA . . 4.400 3.989 3.723 4.241 . 0 0 "[ . 1 . 2]" 1
1879 1 48 PHE H 1 51 LYS H . . 3.660 3.380 3.143 3.650 . 0 0 "[ . 1 . 2]" 1
1880 1 48 PHE H 1 49 ALA H . . 4.210 4.241 4.170 4.314 0.104 7 0 "[ . 1 . 2]" 1
1881 1 47 ILE H 1 48 PHE H . . 4.450 4.200 4.073 4.306 . 0 0 "[ . 1 . 2]" 1
1882 1 47 ILE H 1 71 HIS H . . 4.420 3.911 3.581 4.244 . 0 0 "[ . 1 . 2]" 1
1883 1 47 ILE H 1 53 LEU H . . 4.660 4.608 4.432 4.783 0.123 20 0 "[ . 1 . 2]" 1
1884 1 47 ILE H 1 72 LEU HA . . 4.250 3.668 3.527 3.883 . 0 0 "[ . 1 . 2]" 1
1885 1 47 ILE H 1 48 PHE HA . . 5.070 4.901 4.823 5.010 . 0 0 "[ . 1 . 2]" 1
1886 1 46 LEU HA 1 47 ILE H . . 3.040 2.161 2.122 2.236 . 0 0 "[ . 1 . 2]" 1
1887 1 47 ILE H 1 71 HIS HB2 . . 4.160 4.215 3.900 4.650 0.490 6 0 "[ . 1 . 2]" 1
1888 1 45 ARG QB 1 47 ILE H . . 5.020 5.480 5.337 5.764 0.744 6 6 "[ *.+ * 1 * .- *]" 1
1889 1 47 ILE H 1 47 ILE HB . . 3.370 2.821 2.776 2.872 . 0 0 "[ . 1 . 2]" 1
1890 1 46 LEU HB3 1 47 ILE H . . 3.850 3.566 3.405 4.170 0.320 6 0 "[ . 1 . 2]" 1
1891 1 47 ILE H 1 47 ILE HG13 . . 3.590 3.249 3.160 3.332 . 0 0 "[ . 1 . 2]" 1
1892 1 47 ILE H 1 72 LEU MD2 . . 3.690 4.111 3.772 4.360 0.670 10 4 "[ - * * + . 2]" 1
1893 1 47 ILE H 1 70 LEU QD . . 4.140 3.248 2.762 3.729 . 0 0 "[ . 1 . 2]" 1
1894 1 46 LEU H 1 46 LEU MD2 . . 4.350 2.797 2.542 4.292 . 0 0 "[ . 1 . 2]" 1
1895 1 45 ARG HG2 1 46 LEU H . . 4.180 3.132 2.805 3.525 . 0 0 "[ . 1 . 2]" 1
1896 1 46 LEU H 1 46 LEU HB3 . . 3.880 3.461 2.552 3.593 . 0 0 "[ . 1 . 2]" 1
1897 1 45 ARG HG3 1 46 LEU H . . 4.180 3.357 3.172 3.530 . 0 0 "[ . 1 . 2]" 1
1898 1 46 LEU H 1 46 LEU HB2 . . 3.840 2.319 2.261 2.497 . 0 0 "[ . 1 . 2]" 1
1899 1 46 LEU H 1 52 GLN HG2 . . 4.820 4.522 3.538 5.034 0.214 19 0 "[ . 1 . 2]" 1
1900 1 46 LEU H 1 52 GLN HG3 . . 4.820 4.200 3.436 5.101 0.281 5 0 "[ . 1 . 2]" 1
1901 1 45 ARG HD2 1 46 LEU H . . 5.500 5.583 5.371 5.737 0.237 10 0 "[ . 1 . 2]" 1
1902 1 30 LYS QE 1 46 LEU H . . 5.020 4.393 4.020 4.946 . 0 0 "[ . 1 . 2]" 1
1903 1 46 LEU H 1 52 GLN HA . . 5.460 5.176 4.789 5.669 0.209 19 0 "[ . 1 . 2]" 1
1904 1 45 ARG H 1 46 LEU H . . 4.740 4.338 4.147 4.429 . 0 0 "[ . 1 . 2]" 1
1905 1 46 LEU H 1 53 LEU H . . 4.760 4.299 3.917 4.803 0.043 19 0 "[ . 1 . 2]" 1
1906 1 46 LEU H 1 47 ILE H . . 4.370 4.450 4.396 4.502 0.132 20 0 "[ . 1 . 2]" 1
1907 1 45 ARG H 1 73 VAL H . . 3.900 2.547 2.343 2.780 . 0 0 "[ . 1 . 2]" 1
1908 1 45 ARG H 1 74 LEU HA . . 3.780 4.163 3.879 4.398 0.618 7 3 "[ - . + 1 * . 2]" 1
1909 1 44 GLN HA 1 45 ARG H . . 3.090 2.258 2.130 2.356 . 0 0 "[ . 1 . 2]" 1
1910 1 44 GLN QG 1 45 ARG H . . 4.920 4.498 4.245 4.695 . 0 0 "[ . 1 . 2]" 1
1911 1 45 ARG H 1 45 ARG HD3 . . 5.500 5.438 5.160 5.596 0.096 20 0 "[ . 1 . 2]" 1
1912 1 45 ARG H 1 45 ARG HD2 . . 4.730 5.171 5.056 5.264 0.534 17 6 "[* *** 1 . +- 2]" 1
1913 1 45 ARG H 1 45 ARG QB . . 3.260 2.550 2.409 2.650 . 0 0 "[ . 1 . 2]" 1
1914 1 18 LEU H 1 18 LEU HG . . 4.540 4.230 4.169 4.290 . 0 0 "[ . 1 . 2]" 1
1915 1 45 ARG H 1 75 ARG QG . . 4.930 4.544 3.883 5.094 0.164 20 0 "[ . 1 . 2]" 1
1916 1 45 ARG H 1 73 VAL QG . . 4.060 3.857 3.642 4.175 0.115 10 0 "[ . 1 . 2]" 1
1917 1 6 ILE QG 1 18 LEU H . . 3.090 3.051 2.861 3.251 0.161 12 0 "[ . 1 . 2]" 1
1918 1 45 ARG H 1 73 VAL HB . . 4.180 3.328 2.954 3.832 . 0 0 "[ . 1 . 2]" 1
1919 1 44 GLN HB3 1 45 ARG H . . 4.320 4.037 3.907 4.216 . 0 0 "[ . 1 . 2]" 1
1920 1 39 ILE MG 1 44 GLN H . . 3.550 2.794 2.508 3.173 . 0 0 "[ . 1 . 2]" 1
1921 1 44 GLN H 1 72 LEU MD1 . . 4.860 4.681 4.517 4.799 . 0 0 "[ . 1 . 2]" 1
1922 1 44 GLN H 1 44 GLN HB3 . . 3.210 2.973 2.711 3.176 . 0 0 "[ . 1 . 2]" 1
1923 1 43 GLN QB 1 44 GLN H . . 3.210 2.997 2.831 3.177 . 0 0 "[ . 1 . 2]" 1
1924 1 44 GLN H 1 44 GLN QG . . 3.360 1.994 1.899 2.231 . 0 0 "[ . 1 . 2]" 1
1925 1 44 GLN H 1 75 ARG HB2 . . 4.760 5.039 4.831 5.169 0.409 18 0 "[ . 1 . 2]" 1
1926 1 41 PRO HA 1 44 GLN H . . 3.710 3.453 3.211 3.765 0.055 6 0 "[ . 1 . 2]" 1
1927 1 44 GLN H 1 74 LEU HA . . 4.720 5.006 4.746 5.121 0.401 19 0 "[ . 1 . 2]" 1
1928 1 44 GLN H 1 75 ARG H . . 4.810 5.005 4.765 5.124 0.314 14 0 "[ . 1 . 2]" 1
1929 1 44 GLN H 1 45 ARG H . . 4.550 4.537 4.415 4.623 0.073 3 0 "[ . 1 . 2]" 1
1930 1 42 ASP H 1 44 GLN H . . 3.990 3.929 3.817 4.032 0.042 20 0 "[ . 1 . 2]" 1
1931 1 39 ILE MG 1 43 GLN H . . 3.590 3.575 3.446 3.714 0.124 7 0 "[ . 1 . 2]" 1
1932 1 43 GLN H 1 75 ARG H . . 5.410 5.784 5.536 5.939 0.529 1 1 "[+ . 1 . 2]" 1
1933 1 43 GLN H 1 43 GLN QE . . 4.350 3.342 2.286 3.682 . 0 0 "[ . 1 . 2]" 1
1934 1 43 GLN H 1 44 GLN H . . 3.010 2.337 2.130 2.406 . 0 0 "[ . 1 . 2]" 1
1935 1 40 PRO HA 1 43 GLN H . . 5.020 4.765 4.660 4.867 . 0 0 "[ . 1 . 2]" 1
1936 1 41 PRO HA 1 43 GLN H . . 3.840 4.240 3.917 4.531 0.691 6 3 "[ -.+ 1 * . 2]" 1
1937 1 41 PRO QD 1 43 GLN H . . 4.740 4.718 4.548 4.863 0.123 11 0 "[ . 1 . 2]" 1
1938 1 40 PRO HD2 1 43 GLN H . . 4.830 4.096 3.781 4.470 . 0 0 "[ . 1 . 2]" 1
1939 1 42 ASP HB2 1 43 GLN H . . 4.280 3.924 3.754 4.091 . 0 0 "[ . 1 . 2]" 1
1940 1 42 ASP HB3 1 43 GLN H . . 4.280 2.706 2.549 3.003 . 0 0 "[ . 1 . 2]" 1
1941 1 43 GLN H 1 44 GLN QG . . 3.780 3.614 3.437 3.861 0.081 6 0 "[ . 1 . 2]" 1
1942 1 40 PRO HG2 1 43 GLN H . . 3.400 2.600 2.324 2.845 . 0 0 "[ . 1 . 2]" 1
1943 1 43 GLN H 1 43 GLN QB . . 3.100 2.220 2.157 2.337 . 0 0 "[ . 1 . 2]" 1
1944 1 43 GLN H 1 75 ARG HB2 . . 4.800 4.942 4.807 5.083 0.283 2 0 "[ . 1 . 2]" 1
1945 1 39 ILE MG 1 42 ASP H . . 4.860 5.050 4.970 5.094 0.234 2 0 "[ . 1 . 2]" 1
1946 1 40 PRO HG2 1 42 ASP H . . 3.530 3.612 3.341 3.929 0.399 16 0 "[ . 1 . 2]" 1
1947 1 42 ASP H 1 43 GLN QB . . 4.330 4.340 4.174 4.472 0.142 18 0 "[ . 1 . 2]" 1
1948 1 41 PRO HG2 1 42 ASP H . . 3.590 2.937 2.761 3.057 . 0 0 "[ . 1 . 2]" 1
1949 1 42 ASP H 1 42 ASP HB2 . . 2.990 2.579 2.421 2.690 . 0 0 "[ . 1 . 2]" 1
1950 1 42 ASP H 1 42 ASP HB3 . . 2.990 2.502 2.400 2.741 . 0 0 "[ . 1 . 2]" 1
1951 1 42 ASP H 1 44 GLN QG . . 4.410 4.137 3.945 4.286 . 0 0 "[ . 1 . 2]" 1
1952 1 40 PRO HB2 1 42 ASP H . . 3.170 2.603 2.438 2.767 . 0 0 "[ . 1 . 2]" 1
1953 1 41 PRO QD 1 42 ASP H . . 3.300 3.092 2.944 3.253 . 0 0 "[ . 1 . 2]" 1
1954 1 40 PRO HD2 1 42 ASP H . . 5.410 5.489 5.249 5.797 0.387 16 0 "[ . 1 . 2]" 1
1955 1 40 PRO HA 1 42 ASP H . . 4.090 4.102 3.996 4.200 0.110 12 0 "[ . 1 . 2]" 1
1956 1 42 ASP H 1 43 GLN HA . . 5.210 5.209 5.126 5.288 0.078 18 0 "[ . 1 . 2]" 1
1957 1 34 GLN QE 1 42 ASP H . . 5.500 5.642 5.071 5.756 0.256 5 0 "[ . 1 . 2]" 1
1958 1 42 ASP H 1 43 GLN QE . . 4.820 4.349 3.664 4.589 . 0 0 "[ . 1 . 2]" 1
1959 1 42 ASP H 1 43 GLN H . . 2.990 2.510 2.394 2.612 . 0 0 "[ . 1 . 2]" 1
1960 1 38 GLY H 1 39 ILE H . . 3.290 2.277 2.229 2.370 . 0 0 "[ . 1 . 2]" 1
1961 1 35 ASP H 1 39 ILE H . . 5.260 5.574 5.301 5.792 0.532 9 1 "[ . +1 . 2]" 1
1962 1 39 ILE H 1 40 PRO HA . . 5.500 5.160 5.025 5.304 . 0 0 "[ . 1 . 2]" 1
1963 1 34 GLN HA 1 39 ILE H . . 3.200 2.444 2.274 2.547 . 0 0 "[ . 1 . 2]" 1
1964 1 39 ILE H 1 40 PRO HD2 . . 4.910 4.988 4.940 5.025 0.115 18 0 "[ . 1 . 2]" 1
1965 1 34 GLN HG3 1 39 ILE H . . 3.590 4.070 3.846 4.264 0.674 18 8 "[* ** - * * . *+ 2]" 1
1966 1 37 GLU HG2 1 39 ILE H . . 4.200 3.313 3.119 3.534 . 0 0 "[ . 1 . 2]" 1
1967 1 37 GLU HG3 1 39 ILE H . . 3.840 2.175 1.960 2.377 . 0 0 "[ . 1 . 2]" 1
1968 1 34 GLN HG2 1 39 ILE H . . 4.890 5.073 5.010 5.172 0.282 17 0 "[ . 1 . 2]" 1
1969 1 37 GLU HB2 1 39 ILE H . . 4.430 4.371 4.087 4.555 0.125 7 0 "[ . 1 . 2]" 1
1970 1 39 ILE H 1 39 ILE HB . . 2.950 2.489 2.424 2.564 . 0 0 "[ . 1 . 2]" 1
1971 1 34 GLN HB2 1 39 ILE H . . 4.320 4.566 4.353 4.707 0.387 19 0 "[ . 1 . 2]" 1
1972 1 39 ILE H 1 39 ILE MD . . 3.290 2.690 2.518 2.878 . 0 0 "[ . 1 . 2]" 1
1973 1 33 ILE MG 1 39 ILE H . . 3.570 3.395 2.947 3.956 0.386 9 0 "[ . 1 . 2]" 1
1974 1 16 ILE MG 1 38 GLY H . . 5.280 5.128 4.920 5.299 0.019 1 0 "[ . 1 . 2]" 1
1975 1 33 ILE MG 1 38 GLY H . . 4.000 4.025 3.757 4.344 0.344 9 0 "[ . 1 . 2]" 1
1976 1 16 ILE QG 1 38 GLY H . . 5.500 5.424 5.290 5.535 0.035 11 0 "[ . 1 . 2]" 1
1977 1 38 GLY H 1 39 ILE QG . . 5.500 5.497 5.421 5.575 0.075 16 0 "[ . 1 . 2]" 1
1978 1 38 GLY H 1 39 ILE HB . . 4.420 4.477 4.343 4.682 0.262 16 0 "[ . 1 . 2]" 1
1979 1 37 GLU HG3 1 38 GLY H . . 3.780 2.820 2.537 3.005 . 0 0 "[ . 1 . 2]" 1
1980 1 37 GLU HB2 1 38 GLY H . . 3.970 4.086 3.965 4.230 0.260 16 0 "[ . 1 . 2]" 1
1981 1 34 GLN HB2 1 38 GLY H . . 5.330 5.372 5.160 5.541 0.211 19 0 "[ . 1 . 2]" 1
1982 1 34 GLN HG3 1 38 GLY H . . 4.850 4.899 4.567 5.076 0.226 4 0 "[ . 1 . 2]" 1
1983 1 37 GLU HG2 1 38 GLY H . . 4.240 3.159 3.003 3.331 . 0 0 "[ . 1 . 2]" 1
1984 1 14 LYS QE 1 38 GLY H . . 5.500 5.714 5.521 5.907 0.407 1 0 "[ . 1 . 2]" 1
1985 1 38 GLY H 1 39 ILE HA . . 5.000 5.017 4.981 5.089 0.089 16 0 "[ . 1 . 2]" 1
1986 1 35 ASP H 1 38 GLY H . . 4.680 4.594 4.323 4.765 0.085 19 0 "[ . 1 . 2]" 1
1987 1 37 GLU H 1 38 GLY H . . 3.080 2.377 2.262 2.419 . 0 0 "[ . 1 . 2]" 1
1988 1 16 ILE QG 1 37 GLU H . . 4.660 3.677 3.531 3.818 . 0 0 "[ . 1 . 2]" 1
1989 1 16 ILE MG 1 37 GLU H . . 4.280 3.240 2.936 3.423 . 0 0 "[ . 1 . 2]" 1
1990 1 33 ILE MG 1 37 GLU H . . 3.550 3.581 3.368 3.831 0.281 6 0 "[ . 1 . 2]" 1
1991 1 37 GLU H 1 37 GLU HB2 . . 3.710 3.706 3.671 3.730 0.020 13 0 "[ . 1 . 2]" 1
1992 1 37 GLU H 1 37 GLU HB3 . . 3.420 2.795 2.730 2.861 . 0 0 "[ . 1 . 2]" 1
1993 1 37 GLU H 1 37 GLU HG2 . . 3.600 2.282 2.150 2.421 . 0 0 "[ . 1 . 2]" 1
1994 1 36 LYS HB3 1 37 GLU H . . 3.660 3.203 3.037 3.312 . 0 0 "[ . 1 . 2]" 1
1995 1 37 GLU H 1 37 GLU HG3 . . 3.810 3.225 3.006 3.333 . 0 0 "[ . 1 . 2]" 1
1996 1 36 LYS HB2 1 37 GLU H . . 3.380 2.143 2.037 2.260 . 0 0 "[ . 1 . 2]" 1
1997 1 34 GLN HA 1 37 GLU H . . 4.460 4.401 4.188 4.580 0.120 14 0 "[ . 1 . 2]" 1
1998 1 16 ILE HA 1 37 GLU H . . 5.500 5.699 5.232 6.061 0.561 7 2 "[- . + 1 . 2]" 1
1999 1 37 GLU H 1 38 GLY HA2 . . 4.800 4.646 4.494 4.710 . 0 0 "[ . 1 . 2]" 1
2000 1 37 GLU H 1 39 ILE H . . 3.990 4.004 3.908 4.097 0.107 14 0 "[ . 1 . 2]" 1
2001 1 35 ASP H 1 37 GLU H . . 4.690 4.857 4.614 4.998 0.308 19 0 "[ . 1 . 2]" 1
2002 1 16 ILE MG 1 36 LYS H . . 4.120 3.992 3.846 4.234 0.114 7 0 "[ . 1 . 2]" 1
2003 1 18 LEU MD1 1 36 LYS H . . 4.550 4.110 3.992 4.185 . 0 0 "[ . 1 . 2]" 1
2004 1 33 ILE MG 1 36 LYS H . . 4.880 4.452 4.312 4.620 . 0 0 "[ . 1 . 2]" 1
2005 1 36 LYS H 1 37 GLU HG2 . . 3.990 4.408 4.286 4.535 0.545 14 5 "[ - . 1 *+** 2]" 1
2006 1 36 LYS H 1 36 LYS HB3 . . 3.730 3.713 3.676 3.769 0.039 11 0 "[ . 1 . 2]" 1
2007 1 36 LYS H 1 36 LYS HB2 . . 2.920 2.558 2.484 2.707 . 0 0 "[ . 1 . 2]" 1
2008 1 36 LYS H 1 36 LYS QD . . 3.580 3.796 3.480 3.971 0.391 4 0 "[ . 1 . 2]" 1
2009 1 36 LYS H 1 36 LYS HG2 . . 2.930 2.625 2.447 2.703 . 0 0 "[ . 1 . 2]" 1
2010 1 35 ASP HB2 1 36 LYS H . . 3.980 4.205 4.102 4.297 0.317 18 0 "[ . 1 . 2]" 1
2011 1 35 ASP HB3 1 36 LYS H . . 3.400 3.060 2.920 3.206 . 0 0 "[ . 1 . 2]" 1
2012 1 33 ILE HA 1 36 LYS H . . 3.650 3.271 3.162 3.483 . 0 0 "[ . 1 . 2]" 1
2013 1 36 LYS H 1 37 GLU H . . 2.990 2.680 2.593 2.763 . 0 0 "[ . 1 . 2]" 1
2014 1 36 LYS H 1 38 GLY H . . 3.570 3.361 3.269 3.442 . 0 0 "[ . 1 . 2]" 1
2015 1 36 LYS H 1 39 ILE H . . 4.780 5.104 5.030 5.225 0.445 20 0 "[ . 1 . 2]" 1
2016 1 36 LYS H 1 36 LYS HA . . 2.930 2.950 2.932 2.970 0.040 11 0 "[ . 1 . 2]" 1
2017 1 36 LYS H 1 37 GLU HA . . 5.140 5.165 5.101 5.223 0.083 3 0 "[ . 1 . 2]" 1
2018 1 34 GLN HA 1 36 LYS H . . 4.390 4.089 3.914 4.237 . 0 0 "[ . 1 . 2]" 1
2019 1 33 ILE H 1 33 ILE MD . . 3.310 2.285 1.995 3.489 0.179 9 0 "[ . 1 . 2]" 1
2020 1 18 LEU MD1 1 33 ILE H . . 2.880 2.984 2.862 3.106 0.226 7 0 "[ . 1 . 2]" 1
2021 1 31 ALA MB 1 33 ILE H . . 4.850 4.718 4.513 4.820 . 0 0 "[ . 1 . 2]" 1
2022 1 33 ILE H 1 36 LYS HG2 . . 5.160 4.835 4.629 5.042 . 0 0 "[ . 1 . 2]" 1
2023 1 18 LEU HG 1 33 ILE H . . 3.910 3.857 3.624 4.152 0.242 18 0 "[ . 1 . 2]" 1
2024 1 33 ILE H 1 33 ILE HB . . 3.300 2.431 2.312 2.562 . 0 0 "[ . 1 . 2]" 1
2025 1 33 ILE H 1 33 ILE HG13 . . 3.280 3.469 2.188 3.714 0.434 6 0 "[ . 1 . 2]" 1
2026 1 32 LYS HG2 1 33 ILE H . . 4.250 4.452 4.333 4.613 0.363 10 0 "[ . 1 . 2]" 1
2027 1 33 ILE H 1 34 GLN HB2 . . 5.220 5.142 4.987 5.327 0.107 6 0 "[ . 1 . 2]" 1
2028 1 33 ILE H 1 34 GLN HA . . 5.450 5.396 5.276 5.471 0.021 4 0 "[ . 1 . 2]" 1
2029 1 30 LYS H 1 33 ILE H . . 5.120 4.713 4.583 4.842 . 0 0 "[ . 1 . 2]" 1
2030 1 32 LYS H 1 33 ILE MD . . 4.100 3.996 3.682 5.004 0.904 9 2 "[ - . +1 . 2]" 1
2031 1 32 LYS H 1 33 ILE HB . . 4.830 4.742 4.531 4.994 0.164 16 0 "[ . 1 . 2]" 1
2032 1 32 LYS H 1 32 LYS QB . . 3.300 2.547 2.511 2.591 . 0 0 "[ . 1 . 2]" 1
2033 1 32 LYS H 1 32 LYS HG2 . . 3.030 2.386 2.129 2.674 . 0 0 "[ . 1 . 2]" 1
2034 1 31 ALA MB 1 32 LYS H . . 2.890 2.737 2.560 2.910 0.020 10 0 "[ . 1 . 2]" 1
2035 1 32 LYS H 1 32 LYS HD3 . . 3.930 3.796 3.163 4.459 0.529 20 1 "[ . 1 . +]" 1
2036 1 32 LYS H 1 32 LYS QE . . 4.160 3.487 2.766 4.447 0.287 13 0 "[ . 1 . 2]" 1
2037 1 29 VAL HA 1 32 LYS H . . 3.720 3.470 3.359 3.648 . 0 0 "[ . 1 . 2]" 1
2038 1 28 ASN HA 1 32 LYS H . . 4.860 4.423 4.262 4.608 . 0 0 "[ . 1 . 2]" 1
2039 1 30 LYS HA 1 32 LYS H . . 4.770 3.973 3.831 4.159 . 0 0 "[ . 1 . 2]" 1
2040 1 32 LYS H 1 33 ILE H . . 3.310 2.671 2.587 2.797 . 0 0 "[ . 1 . 2]" 1
2041 1 29 VAL H 1 32 LYS H . . 5.410 4.723 4.596 4.891 . 0 0 "[ . 1 . 2]" 1
2042 1 32 LYS H 1 35 ASP H . . 5.500 4.542 4.418 4.767 . 0 0 "[ . 1 . 2]" 1
2043 1 30 LYS H 1 32 LYS H . . 4.470 3.897 3.769 4.071 . 0 0 "[ . 1 . 2]" 1
2044 1 28 ASN H 1 30 LYS H . . 5.040 4.169 4.023 4.404 . 0 0 "[ . 1 . 2]" 1
2045 1 28 ASN QB 1 30 LYS H . . 5.480 4.822 4.729 4.952 . 0 0 "[ . 1 . 2]" 1
2046 1 26 ILE HA 1 30 LYS H . . 4.570 4.112 3.938 4.261 . 0 0 "[ . 1 . 2]" 1
2047 1 27 GLU HA 1 30 LYS H . . 4.160 3.850 3.621 4.126 . 0 0 "[ . 1 . 2]" 1
2048 1 29 VAL HB 1 30 LYS H . . 3.380 2.563 2.470 2.677 . 0 0 "[ . 1 . 2]" 1
2049 1 30 LYS H 1 32 LYS QB . . 5.500 5.023 4.853 5.144 . 0 0 "[ . 1 . 2]" 1
2050 1 30 LYS H 1 30 LYS HB3 . . 3.360 2.608 2.517 2.663 . 0 0 "[ . 1 . 2]" 1
2051 1 30 LYS H 1 30 LYS QD . . 4.040 4.209 4.134 4.294 0.254 11 0 "[ . 1 . 2]" 1
2052 1 30 LYS H 1 30 LYS QG . . 3.240 2.184 2.068 2.327 . 0 0 "[ . 1 . 2]" 1
2053 1 29 VAL MG2 1 30 LYS H . . 3.850 3.801 3.715 3.893 0.043 2 0 "[ . 1 . 2]" 1
2054 1 29 VAL MG1 1 30 LYS H . . 3.510 3.495 3.415 3.545 0.035 9 0 "[ . 1 . 2]" 1
2055 1 30 LYS H 1 46 LEU MD2 . . 3.800 3.932 2.922 4.305 0.505 11 1 "[ . 1+ . 2]" 1
2056 1 29 VAL H 1 29 VAL MG2 . . 2.880 2.023 1.960 2.079 . 0 0 "[ . 1 . 2]" 1
2057 1 20 VAL QG 1 29 VAL H . . 3.920 3.557 3.273 3.778 . 0 0 "[ . 1 . 2]" 1
2058 1 26 ILE MD 1 29 VAL H . . 4.610 4.840 4.644 4.979 0.369 3 0 "[ . 1 . 2]" 1
2059 1 29 VAL H 1 29 VAL HB . . 3.030 2.673 2.612 2.735 . 0 0 "[ . 1 . 2]" 1
2060 1 29 VAL H 1 32 LYS HG2 . . 5.180 4.406 4.203 4.594 . 0 0 "[ . 1 . 2]" 1
2061 1 29 VAL H 1 59 LEU HG . . 5.500 5.499 5.399 5.625 0.125 14 0 "[ . 1 . 2]" 1
2062 1 29 VAL H 1 31 ALA MB . . 4.860 4.665 4.568 4.747 . 0 0 "[ . 1 . 2]" 1
2063 1 29 VAL H 1 30 LYS QG . . 3.950 4.155 3.996 4.257 0.307 11 0 "[ . 1 . 2]" 1
2064 1 29 VAL H 1 30 LYS QE . . 5.500 5.132 5.030 5.208 . 0 0 "[ . 1 . 2]" 1
2065 1 28 ASN QB 1 29 VAL H . . 3.440 2.485 2.425 2.590 . 0 0 "[ . 1 . 2]" 1
2066 1 29 VAL H 1 32 LYS QE . . 5.500 5.287 4.919 5.811 0.311 13 0 "[ . 1 . 2]" 1
2067 1 26 ILE HA 1 29 VAL H . . 3.510 3.242 3.153 3.353 . 0 0 "[ . 1 . 2]" 1
2068 1 27 GLU HA 1 29 VAL H . . 4.770 4.580 4.474 4.689 . 0 0 "[ . 1 . 2]" 1
2069 1 29 VAL H 1 30 LYS H . . 3.260 2.819 2.757 2.904 . 0 0 "[ . 1 . 2]" 1
2070 1 28 ASN H 1 29 VAL H . . 3.230 2.465 2.390 2.543 . 0 0 "[ . 1 . 2]" 1
2071 1 28 ASN H 1 31 ALA MB . . 4.820 4.679 4.566 4.783 . 0 0 "[ . 1 . 2]" 1
2072 1 28 ASN H 1 30 LYS QG . . 4.680 4.269 4.192 4.469 . 0 0 "[ . 1 . 2]" 1
2073 1 28 ASN H 1 29 VAL MG2 . . 4.130 3.770 3.676 3.874 . 0 0 "[ . 1 . 2]" 1
2074 1 26 ILE MG 1 28 ASN H . . 4.840 4.925 4.882 4.973 0.133 2 0 "[ . 1 . 2]" 1
2075 1 26 ILE MD 1 28 ASN H . . 5.400 5.684 5.453 5.772 0.372 14 0 "[ . 1 . 2]" 1
2076 1 28 ASN H 1 28 ASN QB . . 3.120 2.254 2.219 2.291 . 0 0 "[ . 1 . 2]" 1
2077 1 28 ASN H 1 30 LYS QE . . 5.340 5.093 4.776 5.365 0.025 14 0 "[ . 1 . 2]" 1
2078 1 27 GLU HB3 1 28 ASN H . . 3.360 2.708 2.460 2.873 . 0 0 "[ . 1 . 2]" 1
2079 1 26 ILE HB 1 28 ASN H . . 4.960 5.086 5.047 5.125 0.165 11 0 "[ . 1 . 2]" 1
2080 1 28 ASN H 1 29 VAL HA . . 5.200 5.132 5.069 5.196 . 0 0 "[ . 1 . 2]" 1
2081 1 26 ILE HA 1 28 ASN H . . 4.380 4.162 4.104 4.227 . 0 0 "[ . 1 . 2]" 1
2082 1 28 ASN H 1 55 ASP HA . . 5.050 5.286 5.086 5.469 0.419 12 0 "[ . 1 . 2]" 1
2083 1 25 THR HA 1 28 ASN H . . 5.500 4.762 4.555 4.836 . 0 0 "[ . 1 . 2]" 1
2084 1 25 THR HB 1 28 ASN H . . 5.500 4.588 2.664 4.858 . 0 0 "[ . 1 . 2]" 1
2085 1 28 ASN H 1 28 ASN QD . . 4.980 4.362 4.118 4.467 . 0 0 "[ . 1 . 2]" 1
2086 1 26 ILE H 1 28 ASN H . . 4.650 4.220 4.111 4.285 . 0 0 "[ . 1 . 2]" 1
2087 1 26 ILE H 1 26 ILE MG . . 3.920 3.811 3.788 3.843 . 0 0 "[ . 1 . 2]" 1
2088 1 26 ILE H 1 26 ILE QG . . 3.440 2.185 2.125 2.283 . 0 0 "[ . 1 . 2]" 1
2089 1 26 ILE H 1 29 VAL MG2 . . 4.580 4.023 3.877 4.194 . 0 0 "[ . 1 . 2]" 1
2090 1 26 ILE H 1 59 LEU HG . . 5.000 5.028 4.846 5.070 0.070 5 0 "[ . 1 . 2]" 1
2091 1 26 ILE H 1 27 GLU HB2 . . 5.500 4.886 4.429 5.110 . 0 0 "[ . 1 . 2]" 1
2092 1 26 ILE H 1 27 GLU HB3 . . 5.500 4.931 4.719 5.184 . 0 0 "[ . 1 . 2]" 1
2093 1 26 ILE H 1 57 ARG QB . . 5.500 4.442 4.355 4.598 . 0 0 "[ . 1 . 2]" 1
2094 1 26 ILE H 1 26 ILE HB . . 3.650 2.528 2.460 2.625 . 0 0 "[ . 1 . 2]" 1
2095 1 26 ILE H 1 29 VAL HB . . 5.500 5.273 4.972 5.491 . 0 0 "[ . 1 . 2]" 1
2096 1 26 ILE H 1 28 ASN QB . . 5.500 5.112 4.977 5.211 . 0 0 "[ . 1 . 2]" 1
2097 1 26 ILE H 1 59 LEU HA . . 5.500 5.642 5.449 5.781 0.281 17 0 "[ . 1 . 2]" 1
2098 1 26 ILE H 1 27 GLU HA . . 5.490 5.289 5.184 5.378 . 0 0 "[ . 1 . 2]" 1
2099 1 26 ILE H 1 55 ASP HA . . 4.130 4.255 4.079 4.407 0.277 14 0 "[ . 1 . 2]" 1
2100 1 26 ILE H 1 57 ARG HA . . 5.180 5.048 4.996 5.119 . 0 0 "[ . 1 . 2]" 1
2101 1 25 THR H 1 26 ILE H . . 4.720 4.162 4.005 4.520 . 0 0 "[ . 1 . 2]" 1
2102 1 25 THR H 1 59 LEU QD . . 4.400 4.349 4.140 4.923 0.523 18 1 "[ . 1 . + 2]" 1
2103 1 25 THR H 1 26 ILE MD . . 4.740 4.990 4.770 5.290 0.550 18 1 "[ . 1 . + 2]" 1
2104 1 25 THR H 1 58 THR MG . . 3.800 3.756 3.676 3.905 0.105 16 0 "[ . 1 . 2]" 1
2105 1 25 THR H 1 29 VAL MG2 . . 4.200 3.244 2.914 3.723 . 0 0 "[ . 1 . 2]" 1
2106 1 28 ASN QD 1 31 ALA MB . . 4.740 4.110 3.708 4.489 . 0 0 "[ . 1 . 2]" 1
2107 1 28 ASN QD 1 32 LYS HD2 . . 5.500 4.060 2.356 5.521 0.021 15 0 "[ . 1 . 2]" 1
2108 1 25 THR H 1 59 LEU HG . . 5.280 4.258 3.847 5.179 . 0 0 "[ . 1 . 2]" 1
2109 1 21 GLU QG 1 25 THR H . . 5.500 5.765 5.350 5.915 0.415 18 0 "[ . 1 . 2]" 1
2110 1 24 ASP HB2 1 25 THR H . . 3.620 3.458 3.338 3.736 0.116 18 0 "[ . 1 . 2]" 1
2111 1 20 VAL HB 1 25 THR H . . 4.350 4.313 3.943 4.823 0.473 18 0 "[ . 1 . 2]" 1
2112 1 24 ASP HB3 1 25 THR H . . 3.620 2.009 1.740 3.412 . 0 0 "[ . 1 . 2]" 1
2113 1 23 SER HA 1 25 THR H . . 5.480 5.742 5.416 6.199 0.719 18 1 "[ . 1 . + 2]" 1
2114 1 25 THR H 1 58 THR HA . . 4.110 4.010 3.767 4.558 0.448 18 0 "[ . 1 . 2]" 1
2115 1 21 GLU H 1 25 THR H . . 4.640 4.837 4.542 5.292 0.652 18 1 "[ . 1 . + 2]" 1
2116 1 25 THR H 1 29 VAL H . . 5.110 4.370 4.185 4.558 . 0 0 "[ . 1 . 2]" 1
2117 1 24 ASP H 1 25 THR H . . 3.630 3.461 3.224 4.420 0.790 18 1 "[ . 1 . + 2]" 1
2118 1 23 SER H 1 59 LEU QD . . 4.640 4.681 4.519 4.852 0.212 11 0 "[ . 1 . 2]" 1
2119 1 20 VAL QG 1 23 SER H . . 5.500 5.371 4.998 5.692 0.192 5 0 "[ . 1 . 2]" 1
2120 1 23 SER H 1 58 THR MG . . 4.540 4.998 4.816 5.092 0.552 18 6 "[ * . * 1 -* . + *]" 1
2121 1 23 SER H 1 59 LEU HB2 . . 4.960 4.819 4.718 4.897 . 0 0 "[ . 1 . 2]" 1
2122 1 21 GLU HB2 1 23 SER H . . 3.550 2.778 2.457 2.980 . 0 0 "[ . 1 . 2]" 1
2123 1 22 PRO HG2 1 23 SER H . . 3.320 2.676 2.407 2.997 . 0 0 "[ . 1 . 2]" 1
2124 1 21 GLU HB3 1 23 SER H . . 3.550 2.797 2.532 3.091 . 0 0 "[ . 1 . 2]" 1
2125 1 22 PRO HB2 1 23 SER H . . 3.890 3.453 3.240 3.777 . 0 0 "[ . 1 . 2]" 1
2126 1 23 SER H 1 23 SER QB . . 3.150 2.394 2.314 2.786 . 0 0 "[ . 1 . 2]" 1
2127 1 21 GLU HA 1 23 SER H . . 4.120 3.944 3.751 4.173 0.053 5 0 "[ . 1 . 2]" 1
2128 1 23 SER H 1 24 ASP HA . . 4.390 4.714 4.610 4.814 0.424 19 0 "[ . 1 . 2]" 1
2129 1 23 SER H 1 58 THR HB . . 5.060 4.847 4.672 4.990 . 0 0 "[ . 1 . 2]" 1
2130 1 21 GLU H 1 23 SER H . . 4.380 4.945 4.574 5.112 0.732 1 18 "[+********1****-** **]" 1
2131 1 23 SER H 1 60 SER H . . 4.920 4.908 4.807 5.016 0.096 6 0 "[ . 1 . 2]" 1
2132 1 23 SER H 1 59 LEU H . . 5.200 5.530 5.372 5.689 0.489 2 0 "[ . 1 . 2]" 1
2133 1 23 SER H 1 25 THR H . . 5.300 5.991 5.686 6.424 1.124 18 18 "[*********** ***- +**]" 1
2134 1 20 VAL H 1 21 GLU H . . 4.630 4.390 4.340 4.425 . 0 0 "[ . 1 . 2]" 1
2135 1 21 GLU H 1 24 ASP H . . 4.160 3.930 3.538 4.191 0.031 7 0 "[ . 1 . 2]" 1
2136 1 21 GLU H 1 22 PRO QD . . 5.130 4.515 4.430 4.549 . 0 0 "[ . 1 . 2]" 1
2137 1 21 GLU H 1 24 ASP HB3 . . 4.050 2.902 2.339 3.261 . 0 0 "[ . 1 . 2]" 1
2138 1 21 GLU H 1 28 ASN QB . . 5.500 5.621 5.251 5.829 0.329 18 0 "[ . 1 . 2]" 1
2139 1 21 GLU H 1 21 GLU QG . . 3.330 2.133 1.922 2.291 . 0 0 "[ . 1 . 2]" 1
2140 1 20 VAL HB 1 21 GLU H . . 3.070 2.157 1.923 2.401 . 0 0 "[ . 1 . 2]" 1
2141 1 21 GLU H 1 24 ASP HB2 . . 4.050 2.004 1.800 2.538 . 0 0 "[ . 1 . 2]" 1
2142 1 4 MET HB2 1 21 GLU H . . 5.500 5.399 4.985 5.852 0.352 11 0 "[ . 1 . 2]" 1
2143 1 21 GLU H 1 59 LEU QD . . 3.870 4.348 3.894 4.707 0.837 12 11 "[* *.* * - +***** 2]" 1
2144 1 21 GLU H 1 29 VAL MG2 . . 4.770 4.907 4.443 5.082 0.312 10 0 "[ . 1 . 2]" 1
2145 1 19 GLU H 1 20 VAL QG . . 3.060 2.982 2.727 3.450 0.390 3 0 "[ . 1 . 2]" 1
2146 1 18 LEU QB 1 19 GLU H . . 3.360 2.493 2.348 2.672 . 0 0 "[ . 1 . 2]" 1
2147 1 17 THR MG 1 19 GLU H . . 4.920 4.911 4.674 5.028 0.108 16 0 "[ . 1 . 2]" 1
2148 1 19 GLU H 1 19 GLU HB2 . . 2.890 2.667 2.559 2.774 . 0 0 "[ . 1 . 2]" 1
2149 1 19 GLU H 1 32 LYS HG3 . . 4.270 3.534 3.189 3.898 . 0 0 "[ . 1 . 2]" 1
2150 1 19 GLU H 1 19 GLU HG2 . . 4.170 3.927 2.569 4.424 0.254 3 0 "[ . 1 . 2]" 1
2151 1 19 GLU H 1 19 GLU HG3 . . 4.170 3.257 2.841 4.056 . 0 0 "[ . 1 . 2]" 1
2152 1 19 GLU H 1 36 LYS QE . . 4.740 3.371 3.186 3.678 . 0 0 "[ . 1 . 2]" 1
2153 1 18 LEU HA 1 19 GLU H . . 2.830 2.324 2.261 2.422 . 0 0 "[ . 1 . 2]" 1
2154 1 5 GLN HA 1 19 GLU H . . 5.090 4.880 4.721 5.065 . 0 0 "[ . 1 . 2]" 1
2155 1 19 GLU H 1 20 VAL H . . 3.970 3.635 3.458 3.859 . 0 0 "[ . 1 . 2]" 1
2156 1 18 LEU H 1 18 LEU QB . . 3.390 2.665 2.614 2.752 . 0 0 "[ . 1 . 2]" 1
2157 1 18 LEU H 1 18 LEU MD2 . . 3.250 2.047 1.937 2.135 . 0 0 "[ . 1 . 2]" 1
2158 1 6 ILE MD 1 18 LEU H . . 3.810 3.341 3.133 3.555 . 0 0 "[ . 1 . 2]" 1
2159 1 18 LEU H 1 20 VAL QG . . 5.360 4.904 4.694 5.143 . 0 0 "[ . 1 . 2]" 1
2160 1 44 GLN HB2 1 45 ARG H . . 4.200 2.999 2.682 3.434 . 0 0 "[ . 1 . 2]" 1
2161 1 5 GLN QG 1 18 LEU H . . 5.340 4.570 4.319 4.782 . 0 0 "[ . 1 . 2]" 1
2162 1 17 THR HB 1 18 LEU H . . 4.470 4.310 4.153 4.368 . 0 0 "[ . 1 . 2]" 1
2163 1 6 ILE HA 1 18 LEU H . . 5.280 4.944 4.819 5.102 . 0 0 "[ . 1 . 2]" 1
2164 1 45 ARG H 1 73 VAL HA . . 5.500 4.572 4.487 4.750 . 0 0 "[ . 1 . 2]" 1
2165 1 17 THR HA 1 18 LEU H . . 2.880 2.177 2.128 2.199 . 0 0 "[ . 1 . 2]" 1
2166 1 7 PHE HA 1 18 LEU H . . 4.660 4.107 3.914 4.466 . 0 0 "[ . 1 . 2]" 1
2167 1 5 GLN HA 1 18 LEU H . . 4.230 4.070 3.826 4.241 0.011 19 0 "[ . 1 . 2]" 1
2168 1 18 LEU H 1 19 GLU H . . 4.680 4.515 4.486 4.534 . 0 0 "[ . 1 . 2]" 1
2169 1 8 VAL H 1 18 LEU H . . 4.850 4.372 4.167 4.815 . 0 0 "[ . 1 . 2]" 1
2170 1 17 THR H 1 18 LEU MD1 . . 3.970 4.143 3.855 4.357 0.387 7 0 "[ . 1 . 2]" 1
2171 1 15 THR MG 1 17 THR H . . 3.960 3.670 3.262 3.999 0.039 2 0 "[ . 1 . 2]" 1
2172 1 17 THR H 1 17 THR MG . . 4.320 3.840 3.798 3.863 . 0 0 "[ . 1 . 2]" 1
2173 1 17 THR H 1 36 LYS QD . . 4.360 4.364 4.206 4.570 0.210 7 0 "[ . 1 . 2]" 1
2174 1 17 THR H 1 36 LYS HG3 . . 4.320 4.106 3.529 4.642 0.322 7 0 "[ . 1 . 2]" 1
2175 1 17 THR H 1 36 LYS QE . . 5.270 4.893 4.656 5.049 . 0 0 "[ . 1 . 2]" 1
2176 1 17 THR H 1 17 THR HB . . 2.970 2.532 2.459 2.579 . 0 0 "[ . 1 . 2]" 1
2177 1 16 ILE HA 1 17 THR H . . 2.640 2.190 2.134 2.240 . 0 0 "[ . 1 . 2]" 1
2178 1 17 THR H 1 18 LEU HA . . 5.320 5.234 5.061 5.330 0.010 7 0 "[ . 1 . 2]" 1
2179 1 7 PHE HA 1 17 THR H . . 5.070 4.948 4.758 5.254 0.184 8 0 "[ . 1 . 2]" 1
2180 1 16 ILE H 1 17 THR H . . 4.010 4.115 3.875 4.246 0.236 12 0 "[ . 1 . 2]" 1
2181 1 8 VAL H 1 17 THR H . . 4.630 4.962 4.787 5.062 0.432 8 0 "[ . 1 . 2]" 1
2182 1 16 ILE H 1 16 ILE HB . . 3.420 2.705 2.585 2.850 . 0 0 "[ . 1 . 2]" 1
2183 1 14 LYS HG3 1 16 ILE H . . 5.500 4.638 4.082 5.252 . 0 0 "[ . 1 . 2]" 1
2184 1 15 THR MG 1 16 ILE H . . 3.050 2.530 2.264 2.845 . 0 0 "[ . 1 . 2]" 1
2185 1 16 ILE H 1 16 ILE MG . . 3.850 3.902 3.855 3.963 0.113 19 0 "[ . 1 . 2]" 1
2186 1 16 ILE H 1 16 ILE MD . . 3.320 2.431 2.147 2.737 . 0 0 "[ . 1 . 2]" 1
2187 1 8 VAL HB 1 16 ILE H . . 3.900 3.843 3.593 4.046 0.146 7 0 "[ . 1 . 2]" 1
2188 1 9 LYS QE 1 16 ILE H . . 5.500 5.971 4.170 6.211 0.711 12 17 "[****.-* ***+****** *]" 1
2189 1 15 THR HB 1 16 ILE H . . 4.150 4.016 3.734 4.196 0.046 1 0 "[ . 1 . 2]" 1
2190 1 15 THR HA 1 16 ILE H . . 2.990 2.167 2.107 2.231 . 0 0 "[ . 1 . 2]" 1
2191 1 7 PHE HA 1 16 ILE H . . 4.160 4.140 3.893 4.363 0.203 4 0 "[ . 1 . 2]" 1
2192 1 9 LYS H 1 16 ILE H . . 4.850 4.776 4.439 4.998 0.148 11 0 "[ . 1 . 2]" 1
2193 1 14 LYS QB 1 15 THR H . . 3.490 3.122 2.857 3.559 0.069 12 0 "[ . 1 . 2]" 1
2194 1 14 LYS HG3 1 15 THR H . . 3.390 3.085 2.441 3.423 0.033 3 0 "[ . 1 . 2]" 1
2195 1 15 THR H 1 15 THR MG . . 3.860 3.880 3.837 3.943 0.083 2 0 "[ . 1 . 2]" 1
2196 1 15 THR H 1 16 ILE MD . . 4.580 4.093 3.800 4.490 . 0 0 "[ . 1 . 2]" 1
2197 1 9 LYS QE 1 15 THR H . . 4.280 4.195 3.476 4.484 0.204 12 0 "[ . 1 . 2]" 1
2198 1 15 THR H 1 15 THR HB . . 3.030 2.600 2.481 2.756 . 0 0 "[ . 1 . 2]" 1
2199 1 14 LYS HA 1 15 THR H . . 2.580 2.290 2.198 2.329 . 0 0 "[ . 1 . 2]" 1
2200 1 14 LYS H 1 15 THR H . . 4.650 4.585 4.528 4.643 . 0 0 "[ . 1 . 2]" 1
2201 1 15 THR H 1 16 ILE H . . 4.660 4.464 4.373 4.529 . 0 0 "[ . 1 . 2]" 1
2202 1 14 LYS H 1 14 LYS QB . . 2.960 2.375 2.122 2.552 . 0 0 "[ . 1 . 2]" 1
2203 1 9 LYS QG 1 14 LYS H . . 3.770 4.082 3.669 4.410 0.640 14 5 "[ * -* * +. 2]" 1
2204 1 14 LYS H 1 14 LYS HG2 . . 3.670 3.115 2.564 3.951 0.281 12 0 "[ . 1 . 2]" 1
2205 1 14 LYS H 1 74 LEU MD1 . . 5.500 5.208 4.745 5.529 0.029 10 0 "[ . 1 . 2]" 1
2206 1 14 LYS H 1 16 ILE MD . . 4.590 4.499 4.289 4.941 0.351 14 0 "[ . 1 . 2]" 1
2207 1 13 GLY HA2 1 14 LYS H . . 3.420 3.142 3.024 3.251 . 0 0 "[ . 1 . 2]" 1
2208 1 9 LYS QE 1 14 LYS H . . 4.180 4.052 3.565 4.564 0.384 4 0 "[ . 1 . 2]" 1
2209 1 9 LYS HA 1 14 LYS H . . 4.740 4.964 4.698 5.082 0.342 14 0 "[ . 1 . 2]" 1
2210 1 10 THR HA 1 14 LYS H . . 5.240 5.128 4.948 5.270 0.030 12 0 "[ . 1 . 2]" 1
2211 1 14 LYS H 1 15 THR HA . . 5.360 5.275 5.159 5.457 0.097 19 0 "[ . 1 . 2]" 1
2212 1 10 THR HB 1 14 LYS H . . 4.520 4.055 3.949 4.265 . 0 0 "[ . 1 . 2]" 1
2213 1 12 THR HB 1 14 LYS H . . 4.620 4.326 4.026 4.517 . 0 0 "[ . 1 . 2]" 1
2214 1 13 GLY H 1 14 LYS H . . 2.970 2.332 2.095 2.506 . 0 0 "[ . 1 . 2]" 1
2215 1 11 LEU H 1 14 LYS H . . 5.500 5.464 5.314 5.618 0.118 16 0 "[ . 1 . 2]" 1
2216 1 10 THR H 1 14 LYS H . . 3.650 3.470 3.179 3.779 0.129 12 0 "[ . 1 . 2]" 1
2217 1 11 LEU HB2 1 13 GLY H . . 5.350 5.009 4.904 5.222 . 0 0 "[ . 1 . 2]" 1
2218 1 9 LYS QG 1 13 GLY H . . 4.200 3.990 3.668 4.274 0.074 6 0 "[ . 1 . 2]" 1
2219 1 13 GLY H 1 14 LYS HG2 . . 5.170 4.977 4.284 6.044 0.874 20 6 "[** . - 1 * . * +]" 1
2220 1 12 THR MG 1 13 GLY H . . 4.340 4.223 4.080 4.339 . 0 0 "[ . 1 . 2]" 1
2221 1 13 GLY H 1 74 LEU MD1 . . 5.500 5.152 4.552 5.590 0.090 2 0 "[ . 1 . 2]" 1
2222 1 13 GLY H 1 16 ILE MD . . 5.500 5.694 5.403 5.974 0.474 17 0 "[ . 1 . 2]" 1
2223 1 13 GLY H 1 13 GLY HA2 . . 2.750 2.349 2.311 2.451 . 0 0 "[ . 1 . 2]" 1
2224 1 10 THR HB 1 13 GLY H . . 4.300 3.640 3.343 4.245 . 0 0 "[ . 1 . 2]" 1
2225 1 12 THR HB 1 13 GLY H . . 4.030 4.140 3.936 4.352 0.322 17 0 "[ . 1 . 2]" 1
2226 1 12 THR HA 1 13 GLY H . . 3.510 3.411 3.297 3.520 0.010 14 0 "[ . 1 . 2]" 1
2227 1 10 THR HA 1 13 GLY H . . 4.520 4.571 4.305 4.980 0.460 17 0 "[ . 1 . 2]" 1
2228 1 10 THR H 1 13 GLY H . . 4.150 4.089 3.634 4.630 0.480 17 0 "[ . 1 . 2]" 1
2229 1 11 LEU H 1 13 GLY H . . 4.270 4.060 3.877 4.344 0.074 17 0 "[ . 1 . 2]" 1
2230 1 11 LEU HB2 1 12 THR H . . 3.880 3.057 2.879 3.277 . 0 0 "[ . 1 . 2]" 1
2231 1 12 THR H 1 14 LYS QB . . 5.130 5.131 4.235 5.698 0.568 16 3 "[ *-. 1 .+ 2]" 1
2232 1 11 LEU HB3 1 12 THR H . . 4.180 4.042 3.944 4.155 . 0 0 "[ . 1 . 2]" 1
2233 1 12 THR H 1 14 LYS QD . . 5.500 5.797 5.447 6.066 0.566 16 2 "[ . 1 -.+ 2]" 1
2234 1 12 THR H 1 14 LYS HG2 . . 5.500 5.440 4.953 6.157 0.657 1 6 "[+* . 1 * -. * *]" 1
2235 1 12 THR H 1 12 THR MG . . 3.190 2.481 2.289 2.611 . 0 0 "[ . 1 . 2]" 1
2236 1 12 THR H 1 74 LEU MD1 . . 4.310 3.413 2.773 3.815 . 0 0 "[ . 1 . 2]" 1
2237 1 12 THR H 1 74 LEU MD2 . . 5.500 5.325 4.959 5.566 0.066 15 0 "[ . 1 . 2]" 1
2238 1 12 THR H 1 13 GLY HA2 . . 5.030 4.762 4.647 4.936 . 0 0 "[ . 1 . 2]" 1
2239 1 10 THR HB 1 12 THR H . . 3.850 2.264 2.074 2.459 . 0 0 "[ . 1 . 2]" 1
2240 1 12 THR H 1 12 THR HB . . 4.070 3.637 3.604 3.660 . 0 0 "[ . 1 . 2]" 1
2241 1 12 THR H 1 13 GLY HA3 . . 5.210 5.150 5.069 5.275 0.065 17 0 "[ . 1 . 2]" 1
2242 1 10 THR HA 1 12 THR H . . 4.100 4.022 3.925 4.122 0.022 19 0 "[ . 1 . 2]" 1
2243 1 12 THR H 1 74 LEU H . . 5.500 5.211 4.669 5.556 0.056 16 0 "[ . 1 . 2]" 1
2244 1 11 LEU H 1 12 THR H . . 3.650 2.613 2.544 2.713 . 0 0 "[ . 1 . 2]" 1
2245 1 10 THR H 1 12 THR H . . 4.950 4.869 4.660 4.977 0.027 18 0 "[ . 1 . 2]" 1
2246 1 12 THR H 1 14 LYS H . . 4.140 3.894 3.523 4.140 . 16 0 "[ . 1 . 2]" 1
2247 1 11 LEU H 1 11 LEU HB2 . . 3.380 2.531 2.469 2.625 . 0 0 "[ . 1 . 2]" 1
2248 1 11 LEU H 1 11 LEU HG . . 3.540 2.224 2.081 2.331 . 0 0 "[ . 1 . 2]" 1
2249 1 11 LEU H 1 11 LEU HB3 . . 3.770 3.591 3.573 3.610 . 0 0 "[ . 1 . 2]" 1
2250 1 11 LEU H 1 74 LEU HG . . 4.750 3.638 3.142 3.924 . 0 0 "[ . 1 . 2]" 1
2251 1 10 THR MG 1 11 LEU H . . 3.550 3.537 3.290 3.701 0.151 14 0 "[ . 1 . 2]" 1
2252 1 11 LEU H 1 74 LEU MD2 . . 4.580 4.901 4.476 5.073 0.493 15 0 "[ . 1 . 2]" 1
2253 1 11 LEU H 1 72 LEU MD1 . . 4.410 4.085 3.895 4.266 . 0 0 "[ . 1 . 2]" 1
2254 1 10 THR HB 1 11 LEU H . . 3.350 2.378 2.266 2.566 . 0 0 "[ . 1 . 2]" 1
2255 1 11 LEU H 1 74 LEU H . . 5.290 3.764 3.374 4.315 . 0 0 "[ . 1 . 2]" 1
2256 1 10 THR H 1 11 LEU H . . 4.540 4.604 4.556 4.642 0.102 2 0 "[ . 1 . 2]" 1
2257 1 9 LYS HB3 1 10 THR H . . 3.750 4.220 4.126 4.332 0.582 17 6 "[ * . *- . + **]" 1
2258 1 10 THR H 1 10 THR MG . . 2.940 2.437 2.255 2.677 . 0 0 "[ . 1 . 2]" 1
2259 1 10 THR H 1 72 LEU HB3 . . 4.650 3.659 3.464 3.835 . 0 0 "[ . 1 . 2]" 1
2260 1 10 THR H 1 16 ILE MD . . 3.750 2.772 2.573 3.046 . 0 0 "[ . 1 . 2]" 1
2261 1 10 THR H 1 14 LYS HG2 . . 3.760 3.370 2.948 3.847 0.087 1 0 "[ . 1 . 2]" 1
2262 1 10 THR H 1 13 GLY HA2 . . 5.140 4.756 4.142 5.429 0.289 17 0 "[ . 1 . 2]" 1
2263 1 9 LYS QE 1 10 THR H . . 4.550 4.538 3.759 5.027 0.477 12 0 "[ . 1 . 2]" 1
2264 1 9 LYS HA 1 10 THR H . . 2.840 2.218 2.145 2.277 . 0 0 "[ . 1 . 2]" 1
2265 1 10 THR H 1 10 THR HB . . 4.060 3.647 3.598 3.685 . 0 0 "[ . 1 . 2]" 1
2266 1 9 LYS H 1 10 THR H . . 4.630 4.380 4.214 4.473 . 0 0 "[ . 1 . 2]" 1
2267 1 10 THR H 1 15 THR H . . 5.500 5.105 4.967 5.268 . 0 0 "[ . 1 . 2]" 1
2268 1 9 LYS H 1 9 LYS HB3 . . 3.440 2.670 2.566 2.774 . 0 0 "[ . 1 . 2]" 1
2269 1 9 LYS H 1 9 LYS HB2 . . 3.430 2.691 2.414 2.981 . 0 0 "[ . 1 . 2]" 1
2270 1 8 VAL MG1 1 9 LYS H . . 3.270 3.047 2.607 3.329 0.059 7 0 "[ . 1 . 2]" 1
2271 1 9 LYS H 1 15 THR MG . . 5.290 4.893 4.252 5.596 0.306 19 0 "[ . 1 . 2]" 1
2272 1 9 LYS H 1 72 LEU HB3 . . 5.500 4.663 4.244 5.115 . 0 0 "[ . 1 . 2]" 1
2273 1 8 VAL HB 1 9 LYS H . . 4.540 4.400 4.177 4.507 . 0 0 "[ . 1 . 2]" 1
2274 1 9 LYS H 1 16 ILE HB . . 5.260 5.447 5.270 5.608 0.348 20 0 "[ . 1 . 2]" 1
2275 1 9 LYS H 1 9 LYS QE . . 5.460 5.932 4.592 6.056 0.596 16 16 "[********-1*****+ * 2]" 1
2276 1 9 LYS H 1 71 HIS HA . . 4.080 3.190 2.757 3.382 . 0 0 "[ . 1 . 2]" 1
2277 1 9 LYS H 1 15 THR HA . . 4.930 4.843 4.475 5.114 0.184 19 0 "[ . 1 . 2]" 1
2278 1 9 LYS H 1 10 THR HA . . 5.360 5.069 4.871 5.301 . 0 0 "[ . 1 . 2]" 1
2279 1 9 LYS H 1 70 LEU H . . 3.730 3.395 3.107 3.649 . 0 0 "[ . 1 . 2]" 1
2280 1 9 LYS H 1 72 LEU H . . 5.080 4.108 3.562 4.465 . 0 0 "[ . 1 . 2]" 1
2281 1 6 ILE HB 1 8 VAL H . . 5.120 5.049 4.829 5.349 0.229 2 0 "[ . 1 . 2]" 1
2282 1 8 VAL H 1 8 VAL HB . . 3.370 2.464 2.306 2.573 . 0 0 "[ . 1 . 2]" 1
2283 1 8 VAL H 1 15 THR MG . . 3.270 3.595 3.514 3.679 0.409 16 0 "[ . 1 . 2]" 1
2284 1 8 VAL H 1 16 ILE MG . . 4.070 4.143 4.004 4.367 0.297 14 0 "[ . 1 . 2]" 1
2285 1 8 VAL H 1 8 VAL MG2 . . 3.120 2.728 2.571 3.188 0.068 2 0 "[ . 1 . 2]" 1
2286 1 8 VAL H 1 16 ILE HB . . 3.540 3.433 3.152 3.654 0.114 1 0 "[ . 1 . 2]" 1
2287 1 7 PHE HB3 1 8 VAL H . . 4.610 3.784 3.536 3.919 . 0 0 "[ . 1 . 2]" 1
2288 1 7 PHE HB2 1 8 VAL H . . 4.610 4.416 4.295 4.473 . 0 0 "[ . 1 . 2]" 1
2289 1 8 VAL H 1 16 ILE HA . . 4.520 4.889 4.739 5.018 0.498 8 0 "[ . 1 . 2]" 1
2290 1 8 VAL H 1 17 THR HA . . 3.810 3.665 3.450 3.879 0.069 11 0 "[ . 1 . 2]" 1
2291 1 7 PHE HA 1 8 VAL H . . 2.970 2.154 2.080 2.197 . 0 0 "[ . 1 . 2]" 1
2292 1 8 VAL H 1 69 THR HA . . 5.230 5.090 4.990 5.162 . 0 0 "[ . 1 . 2]" 1
2293 1 7 PHE H 1 8 VAL H . . 4.410 4.142 4.060 4.234 . 0 0 "[ . 1 . 2]" 1
2294 1 8 VAL H 1 9 LYS H . . 4.330 4.300 4.122 4.514 0.184 3 0 "[ . 1 . 2]" 1
2295 1 8 VAL H 1 16 ILE H . . 3.570 3.139 2.806 3.350 . 0 0 "[ . 1 . 2]" 1
2296 1 6 ILE QG 1 7 PHE H . . 4.320 3.818 3.549 4.026 . 0 0 "[ . 1 . 2]" 1
2297 1 30 LYS H 1 33 ILE MD . . 3.720 3.882 3.729 4.024 0.304 7 0 "[ . 1 . 2]" 1
2298 1 6 ILE MG 1 7 PHE H . . 3.230 3.536 3.484 3.576 0.346 6 0 "[ . 1 . 2]" 1
2299 1 6 ILE HB 1 7 PHE H . . 3.100 2.482 2.257 2.678 . 0 0 "[ . 1 . 2]" 1
2300 1 7 PHE H 1 7 PHE HB3 . . 3.630 3.754 3.706 3.796 0.166 6 0 "[ . 1 . 2]" 1
2301 1 7 PHE H 1 7 PHE HB2 . . 3.630 2.617 2.526 2.692 . 0 0 "[ . 1 . 2]" 1
2302 1 6 ILE HA 1 7 PHE H . . 3.020 2.351 2.264 2.434 . 0 0 "[ . 1 . 2]" 1
2303 1 7 PHE H 1 69 THR HA . . 3.580 3.293 2.999 3.557 . 0 0 "[ . 1 . 2]" 1
2304 1 6 ILE H 1 7 PHE H . . 4.450 4.430 4.375 4.460 0.010 18 0 "[ . 1 . 2]" 1
2305 1 6 ILE H 1 6 ILE MD . . 3.200 1.892 1.755 2.119 . 0 0 "[ . 1 . 2]" 1
2306 1 6 ILE H 1 18 LEU QB . . 3.900 3.448 3.293 3.659 . 0 0 "[ . 1 . 2]" 1
2307 1 6 ILE H 1 17 THR MG . . 3.400 3.322 2.692 3.565 0.165 8 0 "[ . 1 . 2]" 1
2308 1 5 GLN QG 1 6 ILE H . . 3.850 3.825 3.555 3.984 0.134 10 0 "[ . 1 . 2]" 1
2309 1 5 GLN HB2 1 6 ILE H . . 3.890 4.186 3.910 4.388 0.498 7 0 "[ . 1 . 2]" 1
2310 1 5 GLN HB3 1 6 ILE H . . 3.350 3.108 2.734 3.441 0.091 18 0 "[ . 1 . 2]" 1
2311 1 6 ILE H 1 17 THR HA . . 3.600 3.997 3.784 4.330 0.730 2 3 "[ +- .* 1 . 2]" 1
2312 1 6 ILE H 1 18 LEU HA . . 4.910 4.890 4.807 5.019 0.109 19 0 "[ . 1 . 2]" 1
2313 1 6 ILE H 1 18 LEU H . . 3.440 2.746 2.532 2.983 . 0 0 "[ . 1 . 2]" 1
2314 1 6 ILE H 1 67 GLU H . . 4.780 4.445 4.276 4.809 0.029 10 0 "[ . 1 . 2]" 1
2315 1 5 GLN H 1 17 THR MG . . 5.480 5.169 4.986 5.334 . 0 0 "[ . 1 . 2]" 1
2316 1 5 GLN H 1 6 ILE MG . . 4.650 4.508 4.300 4.707 0.057 20 0 "[ . 1 . 2]" 1
2317 1 5 GLN H 1 6 ILE MD . . 4.900 4.497 4.201 4.679 . 0 0 "[ . 1 . 2]" 1
2318 1 5 GLN H 1 5 GLN HB3 . . 3.840 3.684 3.630 3.780 . 0 0 "[ . 1 . 2]" 1
2319 1 4 MET HB3 1 5 GLN H . . 3.020 2.467 2.084 2.728 . 0 0 "[ . 1 . 2]" 1
2320 1 4 MET HB2 1 5 GLN H . . 3.320 3.493 3.012 3.719 0.399 8 0 "[ . 1 . 2]" 1
2321 1 5 GLN H 1 5 GLN HB2 . . 3.500 2.486 2.401 2.644 . 0 0 "[ . 1 . 2]" 1
2322 1 4 MET HG3 1 5 GLN H . . 4.550 4.836 4.521 5.073 0.523 1 2 "[+ . - 1 . 2]" 1
2323 1 5 GLN H 1 5 GLN QG . . 3.980 3.492 3.035 3.761 . 0 0 "[ . 1 . 2]" 1
2324 1 5 GLN H 1 67 GLU HA . . 5.500 5.493 5.190 5.913 0.413 11 0 "[ . 1 . 2]" 1
2325 1 5 GLN H 1 66 LYS HE2 . . 5.500 4.474 3.142 5.964 0.464 15 0 "[ . 1 . 2]" 1
2326 1 5 GLN H 1 66 LYS HE3 . . 5.500 3.965 2.823 5.459 . 0 0 "[ . 1 . 2]" 1
2327 1 5 GLN H 1 66 LYS HA . . 4.280 4.612 4.311 5.018 0.738 8 7 "[*-* . + 1** . *]" 1
2328 1 4 MET HA 1 5 GLN H . . 2.790 2.437 2.275 2.743 . 0 0 "[ . 1 . 2]" 1
2329 1 5 GLN H 1 19 GLU HA . . 5.050 4.731 4.381 5.051 0.001 4 0 "[ . 1 . 2]" 1
2330 1 5 GLN H 1 20 VAL H . . 4.950 5.134 5.037 5.204 0.254 18 0 "[ . 1 . 2]" 1
2331 1 4 MET H 1 20 VAL QG . . 4.480 4.343 4.115 4.657 0.177 3 0 "[ . 1 . 2]" 1
2332 1 4 MET H 1 6 ILE MD . . 5.070 4.790 4.226 5.320 0.250 3 0 "[ . 1 . 2]" 1
2333 1 4 MET H 1 4 MET HG2 . . 3.380 2.527 2.157 3.051 . 0 0 "[ . 1 . 2]" 1
2334 1 4 MET H 1 4 MET HB2 . . 3.580 2.605 2.487 2.736 . 0 0 "[ . 1 . 2]" 1
2335 1 4 MET H 1 4 MET HG3 . . 4.190 3.924 3.638 4.344 0.154 4 0 "[ . 1 . 2]" 1
2336 1 4 MET H 1 22 PRO QD . . 4.980 4.071 3.364 4.560 . 0 0 "[ . 1 . 2]" 1
2337 1 4 MET H 1 20 VAL HA . . 3.730 3.860 3.292 4.412 0.682 16 2 "[ . 1 -+ 2]" 1
2338 1 4 MET H 1 5 GLN HA . . 5.020 5.175 4.851 5.417 0.397 16 0 "[ . 1 . 2]" 1
2339 1 4 MET H 1 5 GLN H . . 4.510 4.526 4.388 4.631 0.121 17 0 "[ . 1 . 2]" 1
2340 1 4 MET H 1 21 GLU H . . 4.950 4.284 3.836 4.581 . 0 0 "[ . 1 . 2]" 1
2341 1 4 MET H 1 20 VAL H . . 3.680 3.540 2.982 4.010 0.330 15 0 "[ . 1 . 2]" 1
2342 1 11 LEU H 1 72 LEU H . . 4.470 4.031 3.764 4.270 . 0 0 "[ . 1 . 2]" 1
2343 1 71 HIS H 1 72 LEU H . . 4.650 4.535 4.471 4.607 . 0 0 "[ . 1 . 2]" 1
2344 1 10 THR H 1 72 LEU H . . 5.340 4.680 4.404 4.987 . 0 0 "[ . 1 . 2]" 1
2345 1 71 HIS HA 1 72 LEU H . . 3.000 2.221 2.093 2.319 . 0 0 "[ . 1 . 2]" 1
2346 1 10 THR HA 1 72 LEU H . . 3.660 2.802 2.595 3.081 . 0 0 "[ . 1 . 2]" 1
2347 1 71 HIS HB3 1 72 LEU H . . 3.710 2.729 2.466 3.279 . 0 0 "[ . 1 . 2]" 1
2348 1 72 LEU H 1 72 LEU HB3 . . 3.610 2.772 2.619 2.866 . 0 0 "[ . 1 . 2]" 1
2349 1 72 LEU H 1 72 LEU HB2 . . 3.480 2.945 2.648 3.047 . 0 0 "[ . 1 . 2]" 1
2350 1 9 LYS HB3 1 72 LEU H . . 4.600 4.366 4.052 4.631 0.031 16 0 "[ . 1 . 2]" 1
2351 1 10 THR HB 1 72 LEU H . . 5.500 5.254 5.019 5.567 0.067 17 0 "[ . 1 . 2]" 1
2352 1 33 ILE MG 1 34 GLN H . . 3.200 3.093 2.828 3.503 0.303 9 0 "[ . 1 . 2]" 1
2353 1 72 LEU H 1 73 VAL QG . . 4.880 4.072 3.847 4.322 . 0 0 "[ . 1 . 2]" 1
2354 1 34 GLN H 1 34 GLN HB3 . . 3.190 2.535 2.459 2.612 . 0 0 "[ . 1 . 2]" 1
2355 1 33 ILE HB 1 34 GLN H . . 3.390 2.753 2.687 2.826 . 0 0 "[ . 1 . 2]" 1
2356 1 34 GLN H 1 34 GLN HB2 . . 3.350 2.512 2.422 2.597 . 0 0 "[ . 1 . 2]" 1
2357 1 34 GLN H 1 35 ASP HB3 . . 5.490 4.775 4.656 4.894 . 0 0 "[ . 1 . 2]" 1
2358 1 11 LEU HA 1 72 LEU H . . 5.100 5.076 4.718 5.356 0.256 14 0 "[ . 1 . 2]" 1
2359 1 31 ALA HA 1 34 GLN H . . 3.630 3.521 3.387 3.701 0.071 16 0 "[ . 1 . 2]" 1
2360 1 34 GLN H 1 40 PRO HA . . 5.500 5.050 4.603 5.414 . 0 0 "[ . 1 . 2]" 1
2361 1 34 GLN H 1 39 ILE H . . 4.650 4.835 4.512 5.040 0.390 19 0 "[ . 1 . 2]" 1
2362 1 34 GLN H 1 36 LYS H . . 4.500 4.073 4.016 4.165 . 0 0 "[ . 1 . 2]" 1
2363 1 32 LYS H 1 34 GLN H . . 4.480 4.141 4.017 4.297 . 0 0 "[ . 1 . 2]" 1
2364 1 33 ILE H 1 34 GLN H . . 3.540 2.763 2.613 2.890 . 0 0 "[ . 1 . 2]" 1
2365 1 54 GLU HA 1 55 ASP H . . 2.630 2.212 2.185 2.245 . 0 0 "[ . 1 . 2]" 1
2366 1 26 ILE MG 1 55 ASP H . . 4.170 4.133 3.931 4.327 0.157 9 0 "[ . 1 . 2]" 1
2367 1 35 ASP H 1 36 LYS HG2 . . 3.710 4.194 4.073 4.325 0.615 13 8 "[** *.-* 1 *+ . * 2]" 1
2368 1 54 GLU QG 1 55 ASP H . . 2.930 2.559 2.485 2.656 . 0 0 "[ . 1 . 2]" 1
2369 1 54 GLU HB2 1 55 ASP H . . 3.960 4.083 3.985 4.150 0.190 8 0 "[ . 1 . 2]" 1
2370 1 34 GLN HB3 1 35 ASP H . . 3.320 2.866 2.710 3.072 . 0 0 "[ . 1 . 2]" 1
2371 1 35 ASP H 1 35 ASP HB2 . . 2.830 2.674 2.514 2.798 . 0 0 "[ . 1 . 2]" 1
2372 1 35 ASP H 1 35 ASP HB3 . . 3.130 2.399 2.269 2.517 . 0 0 "[ . 1 . 2]" 1
2373 1 32 LYS HA 1 35 ASP H . . 3.430 2.919 2.672 3.275 . 0 0 "[ . 1 . 2]" 1
2374 1 34 GLN QE 1 35 ASP H . . 5.500 4.547 4.191 5.068 . 0 0 "[ . 1 . 2]" 1
2375 1 35 ASP H 1 36 LYS H . . 3.190 2.584 2.437 2.679 . 0 0 "[ . 1 . 2]" 1
2376 1 34 GLN H 1 35 ASP H . . 3.210 2.666 2.600 2.757 . 0 0 "[ . 1 . 2]" 1
2377 1 23 SER H 1 24 ASP H . . 3.000 2.549 2.044 2.666 . 0 0 "[ . 1 . 2]" 1
2378 1 20 VAL QG 1 24 ASP H . . 4.710 4.288 3.998 4.596 . 0 0 "[ . 1 . 2]" 1
2379 1 24 ASP H 1 58 THR MG . . 3.940 3.809 3.623 4.229 0.289 18 0 "[ . 1 . 2]" 1
2380 1 31 ALA H 1 31 ALA MB . . 2.600 2.246 2.229 2.258 . 0 0 "[ . 1 . 2]" 1
2381 1 30 LYS QG 1 31 ALA H . . 3.470 2.383 2.282 2.510 . 0 0 "[ . 1 . 2]" 1
2382 1 24 ASP H 1 24 ASP HB2 . . 3.740 2.582 2.379 2.791 . 0 0 "[ . 1 . 2]" 1
2383 1 30 LYS HB3 1 31 ALA H . . 4.500 4.041 3.915 4.128 . 0 0 "[ . 1 . 2]" 1
2384 1 30 LYS QE 1 31 ALA H . . 5.370 4.783 4.628 4.952 . 0 0 "[ . 1 . 2]" 1
2385 1 30 LYS QD 1 31 ALA H . . 4.070 4.338 4.224 4.483 0.413 20 0 "[ . 1 . 2]" 1
2386 1 29 VAL HA 1 31 ALA H . . 4.750 4.539 4.424 4.675 . 0 0 "[ . 1 . 2]" 1
2387 1 23 SER QB 1 24 ASP H . . 3.900 3.709 3.426 4.004 0.104 5 0 "[ . 1 . 2]" 1
2388 1 21 GLU HA 1 24 ASP H . . 4.580 4.573 4.284 4.822 0.242 7 0 "[ . 1 . 2]" 1
2389 1 23 SER HA 1 24 ASP H . . 3.540 3.153 3.013 3.268 . 0 0 "[ . 1 . 2]" 1
2390 1 28 ASN HA 1 31 ALA H . . 3.770 3.526 3.390 3.678 . 0 0 "[ . 1 . 2]" 1
2391 1 28 ASN QD 1 31 ALA H . . 5.500 5.608 5.324 5.697 0.197 10 0 "[ . 1 . 2]" 1
2392 1 30 LYS H 1 31 ALA H . . 3.270 2.581 2.495 2.641 . 0 0 "[ . 1 . 2]" 1
2393 2 28 SER HA 2 31 SER H . . 3.840 4.275 3.872 4.660 0.820 15 8 "[ - * * * * + **2]" 1
2394 2 30 LEU QB 2 31 SER H . . 3.920 3.808 3.572 4.020 0.100 12 0 "[ . 1 . 2]" 1
2395 2 30 LEU HG 2 31 SER H . . 3.880 3.148 2.487 3.821 . 0 0 "[ . 1 . 2]" 1
2396 2 30 LEU QD 2 31 SER H . . 3.790 3.022 2.539 3.708 . 0 0 "[ . 1 . 2]" 1
2397 2 12 VAL MG2 2 30 LEU H . . 3.830 3.963 3.424 4.269 0.439 9 0 "[ . 1 . 2]" 1
2398 2 30 LEU H 2 30 LEU QB . . 3.230 2.699 2.609 2.811 . 0 0 "[ . 1 . 2]" 1
2399 2 30 LEU H 2 30 LEU HG . . 3.290 2.224 2.074 2.380 . 0 0 "[ . 1 . 2]" 1
2400 2 29 CYS HB3 2 30 LEU H . . 3.620 4.001 3.858 4.076 0.456 6 0 "[ . 1 . 2]" 1
2401 2 29 CYS HB2 2 30 LEU H . . 3.700 3.284 3.084 3.439 . 0 0 "[ . 1 . 2]" 1
2402 2 26 LEU HA 2 30 LEU H . . 3.600 3.685 3.326 3.931 0.331 6 0 "[ . 1 . 2]" 1
2403 2 27 ASP HA 2 30 LEU H . . 4.580 4.071 3.813 4.331 . 0 0 "[ . 1 . 2]" 1
2404 2 30 LEU H 2 31 SER H . . 3.610 2.366 2.090 2.553 . 0 0 "[ . 1 . 2]" 1
2405 2 26 LEU H 2 29 CYS H . . 4.950 4.480 4.278 4.622 . 0 0 "[ . 1 . 2]" 1
2406 2 29 CYS H 2 31 SER H . . 4.450 4.128 3.890 4.450 . 0 0 "[ . 1 . 2]" 1
2407 2 27 ASP H 2 29 CYS H . . 4.410 4.006 3.886 4.110 . 0 0 "[ . 1 . 2]" 1
2408 2 29 CYS H 2 30 LEU H . . 3.450 2.549 2.463 2.705 . 0 0 "[ . 1 . 2]" 1
2409 2 26 LEU HA 2 29 CYS H . . 3.220 3.031 2.594 3.347 0.127 8 0 "[ . 1 . 2]" 1
2410 2 29 CYS H 2 30 LEU HA . . 5.250 5.154 5.078 5.282 0.032 8 0 "[ . 1 . 2]" 1
2411 2 25 HIS HA 2 29 CYS H . . 4.660 4.288 4.090 4.514 . 0 0 "[ . 1 . 2]" 1
2412 2 27 ASP HA 2 29 CYS H . . 5.100 4.501 4.300 4.602 . 0 0 "[ . 1 . 2]" 1
2413 2 29 CYS H 2 29 CYS HB2 . . 3.330 2.359 2.290 2.402 . 0 0 "[ . 1 . 2]" 1
2414 2 29 CYS H 2 29 CYS HB3 . . 3.210 3.592 3.562 3.623 0.413 19 0 "[ . 1 . 2]" 1
2415 2 29 CYS H 2 30 LEU HG . . 4.560 4.148 3.988 4.412 . 0 0 "[ . 1 . 2]" 1
2416 2 29 CYS H 2 30 LEU QB . . 4.590 4.689 4.581 4.793 0.203 8 0 "[ . 1 . 2]" 1
2417 2 26 LEU HB2 2 29 CYS H . . 5.500 5.222 4.985 5.364 . 0 0 "[ . 1 . 2]" 1
2418 2 12 VAL MG1 2 29 CYS H . . 5.210 4.962 4.690 5.267 0.057 19 0 "[ . 1 . 2]" 1
2419 2 12 VAL MG2 2 29 CYS H . . 4.830 4.669 4.449 4.919 0.089 2 0 "[ . 1 . 2]" 1
2420 2 28 SER H 2 30 LEU QD . . 4.740 4.558 4.459 4.651 . 0 0 "[ . 1 . 2]" 1
2421 2 26 LEU HB2 2 28 SER H . . 5.290 5.036 4.804 5.794 0.504 6 1 "[ .+ 1 . 2]" 1
2422 2 28 SER H 2 30 LEU QB . . 5.500 5.804 5.747 5.856 0.356 6 0 "[ . 1 . 2]" 1
2423 2 28 SER H 2 30 LEU HG . . 5.110 4.598 4.450 4.854 . 0 0 "[ . 1 . 2]" 1
2424 2 27 ASP HB3 2 28 SER H . . 3.740 3.432 2.747 3.865 0.125 13 0 "[ . 1 . 2]" 1
2425 2 28 SER H 2 29 CYS HB2 . . 4.020 4.449 4.327 4.525 0.505 20 1 "[ . 1 . +]" 1
2426 2 27 ASP HB2 2 28 SER H . . 3.740 3.240 2.665 3.961 0.221 8 0 "[ . 1 . 2]" 1
2427 2 28 SER H 2 28 SER HB2 . . 3.280 2.697 2.648 2.812 . 0 0 "[ . 1 . 2]" 1
2428 2 28 SER H 2 28 SER HB3 . . 3.280 2.492 2.391 2.550 . 0 0 "[ . 1 . 2]" 1
2429 2 25 HIS HA 2 28 SER H . . 4.000 3.692 3.563 3.903 . 0 0 "[ . 1 . 2]" 1
2430 2 24 LYS HA 2 28 SER H . . 5.400 4.718 4.440 4.892 . 0 0 "[ . 1 . 2]" 1
2431 2 28 SER H 2 30 LEU H . . 4.150 4.084 4.003 4.159 0.009 10 0 "[ . 1 . 2]" 1
2432 2 28 SER H 2 29 CYS H . . 3.020 2.389 2.320 2.470 . 0 0 "[ . 1 . 2]" 1
2433 2 26 LEU H 2 28 SER H . . 4.650 4.126 4.005 4.259 . 0 0 "[ . 1 . 2]" 1
2434 2 25 HIS H 2 27 ASP H . . 4.360 4.230 3.949 4.516 0.156 15 0 "[ . 1 . 2]" 1
2435 2 26 LEU H 2 27 ASP H . . 3.510 2.674 2.544 2.777 . 0 0 "[ . 1 . 2]" 1
2436 2 27 ASP H 2 28 SER H . . 3.300 2.715 2.654 2.787 . 0 0 "[ . 1 . 2]" 1
2437 2 24 LYS HA 2 27 ASP H . . 3.540 3.516 3.181 3.872 0.332 5 0 "[ . 1 . 2]" 1
2438 2 27 ASP H 2 28 SER HA . . 5.500 5.389 5.336 5.446 . 0 0 "[ . 1 . 2]" 1
2439 2 27 ASP H 2 27 ASP HB3 . . 3.270 3.296 2.629 3.631 0.361 6 0 "[ . 1 . 2]" 1
2440 2 27 ASP H 2 27 ASP HB2 . . 3.270 2.428 2.284 2.605 . 0 0 "[ . 1 . 2]" 1
2441 2 27 ASP H 2 29 CYS HB2 . . 4.860 5.079 4.959 5.218 0.358 5 0 "[ . 1 . 2]" 1
2442 2 24 LYS HB3 2 27 ASP H . . 5.500 5.611 5.428 5.938 0.438 5 0 "[ . 1 . 2]" 1
2443 2 27 ASP H 2 30 LEU QB . . 5.500 5.467 5.339 5.553 0.053 11 0 "[ . 1 . 2]" 1
2444 2 26 LEU HB3 2 27 ASP H . . 3.820 3.430 2.386 3.776 . 0 0 "[ . 1 . 2]" 1
2445 2 26 LEU HB2 2 27 ASP H . . 3.770 2.763 2.339 3.986 0.216 6 0 "[ . 1 . 2]" 1
2446 2 27 ASP H 2 30 LEU QD . . 4.190 3.792 3.574 4.157 . 0 0 "[ . 1 . 2]" 1
2447 2 17 ILE MD 2 26 LEU H . . 4.680 4.521 3.985 4.801 0.121 1 0 "[ . 1 . 2]" 1
2448 2 22 ILE MD 2 26 LEU H . . 3.950 3.742 3.495 3.932 . 0 0 "[ . 1 . 2]" 1
2449 2 26 LEU H 2 26 LEU MD2 . . 4.130 3.434 2.734 4.224 0.094 20 0 "[ . 1 . 2]" 1
2450 2 26 LEU H 2 26 LEU MD1 . . 4.130 3.621 2.402 4.161 0.031 6 0 "[ . 1 . 2]" 1
2451 2 12 VAL MG2 2 26 LEU H . . 5.500 5.491 5.154 5.982 0.482 20 0 "[ . 1 . 2]" 1
2452 2 22 ILE MG 2 26 LEU H . . 4.780 4.924 4.599 5.024 0.244 17 0 "[ . 1 . 2]" 1
2453 2 26 LEU H 2 26 LEU HB2 . . 3.590 2.481 2.317 2.565 . 0 0 "[ . 1 . 2]" 1
2454 2 24 LYS HB3 2 26 LEU H . . 5.460 4.985 4.617 5.371 . 0 0 "[ . 1 . 2]" 1
2455 2 26 LEU H 2 26 LEU HG . . 4.480 2.723 2.178 4.450 . 0 0 "[ . 1 . 2]" 1
2456 2 26 LEU H 2 26 LEU HB3 . . 3.640 3.435 2.385 3.649 0.009 12 0 "[ . 1 . 2]" 1
2457 2 25 HIS HB2 2 26 LEU H . . 3.760 3.363 3.179 3.593 . 0 0 "[ . 1 . 2]" 1
2458 2 25 HIS HB3 2 26 LEU H . . 3.870 2.964 2.656 3.234 . 0 0 "[ . 1 . 2]" 1
2459 2 26 LEU H 2 29 CYS HB2 . . 4.630 4.435 4.183 4.631 0.001 5 0 "[ . 1 . 2]" 1
2460 2 23 ASN HA 2 26 LEU H . . 4.250 3.660 3.261 4.044 . 0 0 "[ . 1 . 2]" 1
2461 2 22 ILE HA 2 26 LEU H . . 4.180 4.150 3.769 4.315 0.135 1 0 "[ . 1 . 2]" 1
2462 2 23 ASN H 2 24 LYS H . . 3.340 2.734 2.594 2.891 . 0 0 "[ . 1 . 2]" 1
2463 2 24 LYS H 2 26 LEU H . . 4.700 4.161 4.008 4.398 . 0 0 "[ . 1 . 2]" 1
2464 2 21 HIS HA 2 24 LYS H . . 4.190 3.328 2.976 3.772 . 0 0 "[ . 1 . 2]" 1
2465 2 24 LYS H 2 25 HIS HB2 . . 4.630 4.663 4.502 4.831 0.201 18 0 "[ . 1 . 2]" 1
2466 2 24 LYS H 2 25 HIS HB3 . . 5.500 5.757 5.518 6.020 0.520 5 1 "[ + 1 . 2]" 1
2467 2 21 HIS HB2 2 24 LYS H . . 5.500 5.785 5.573 5.984 0.484 13 0 "[ . 1 . 2]" 1
2468 2 21 HIS HB3 2 24 LYS H . . 5.500 5.482 5.149 5.739 0.239 17 0 "[ . 1 . 2]" 1
2469 2 23 ASN HB3 2 24 LYS H . . 4.140 2.849 2.169 3.804 . 0 0 "[ . 1 . 2]" 1
2470 2 23 ASN HB2 2 24 LYS H . . 4.140 3.542 2.847 3.981 . 0 0 "[ . 1 . 2]" 1
2471 2 24 LYS H 2 24 LYS HB2 . . 2.940 2.507 2.185 2.720 . 0 0 "[ . 1 . 2]" 1
2472 2 24 LYS H 2 24 LYS HB3 . . 3.280 2.549 2.397 2.846 . 0 0 "[ . 1 . 2]" 1
2473 2 24 LYS H 2 26 LEU HB2 . . 5.500 5.302 4.994 5.701 0.201 6 0 "[ . 1 . 2]" 1
2474 2 22 ILE MG 2 24 LYS H . . 4.680 4.463 4.312 4.681 0.001 2 0 "[ . 1 . 2]" 1
2475 2 22 ILE MD 2 24 LYS H . . 5.460 5.385 5.172 5.578 0.118 2 0 "[ . 1 . 2]" 1
2476 2 24 LYS H 2 24 LYS HD2 . . 5.500 5.389 4.153 6.047 0.547 4 1 "[ +. 1 . 2]" 1
2477 2 24 LYS H 2 24 LYS HD3 . . 5.500 4.959 4.603 5.973 0.473 13 0 "[ . 1 . 2]" 1
2478 2 22 ILE H 2 23 ASN H . . 3.800 2.554 2.464 2.645 . 0 0 "[ . 1 . 2]" 1
2479 2 21 HIS HA 2 23 ASN H . . 4.670 4.433 4.115 4.618 . 0 0 "[ . 1 . 2]" 1
2480 2 19 GLU HA 2 23 ASN H . . 5.060 4.220 3.954 4.493 . 0 0 "[ . 1 . 2]" 1
2481 2 23 ASN H 2 23 ASN HB2 . . 3.680 2.481 2.316 2.626 . 0 0 "[ . 1 . 2]" 1
2482 2 23 ASN H 2 23 ASN HB3 . . 3.680 2.878 2.450 3.642 . 0 0 "[ . 1 . 2]" 1
2483 2 22 ILE MD 2 23 ASN H . . 4.180 3.977 3.814 4.336 0.156 11 0 "[ . 1 . 2]" 1
2484 2 22 ILE MG 2 23 ASN H . . 3.140 2.172 2.109 2.289 . 0 0 "[ . 1 . 2]" 1
2485 2 22 ILE HG13 2 23 ASN H . . 5.500 5.237 5.168 5.371 . 0 0 "[ . 1 . 2]" 1
2486 2 22 ILE HG12 2 23 ASN H . . 5.500 5.053 4.994 5.153 . 0 0 "[ . 1 . 2]" 1
2487 2 23 ASN H 2 26 LEU HB2 . . 5.500 5.430 4.829 5.802 0.302 2 0 "[ . 1 . 2]" 1
2488 2 22 ILE HB 2 23 ASN H . . 3.880 3.698 3.395 3.776 . 0 0 "[ . 1 . 2]" 1
2489 2 20 SER H 2 22 ILE H . . 4.670 3.867 3.730 3.954 . 0 0 "[ . 1 . 2]" 1
2490 2 20 SER HA 2 22 ILE H . . 4.650 4.162 3.965 4.350 . 0 0 "[ . 1 . 2]" 1
2491 2 21 HIS HB3 2 22 ILE H . . 4.310 3.732 3.068 4.157 . 0 0 "[ . 1 . 2]" 1
2492 2 21 HIS HB2 2 22 ILE H . . 4.310 3.546 2.969 4.169 . 0 0 "[ . 1 . 2]" 1
2493 2 19 GLU HA 2 22 ILE H . . 4.100 3.225 2.893 3.557 . 0 0 "[ . 1 . 2]" 1
2494 2 8 VAL QG 2 22 ILE H . . 4.270 4.008 3.695 4.297 0.027 11 0 "[ . 1 . 2]" 1
2495 2 22 ILE H 2 22 ILE MG . . 3.060 2.713 2.505 3.164 0.104 11 0 "[ . 1 . 2]" 1
2496 2 22 ILE H 2 22 ILE HG13 . . 4.830 4.736 4.592 4.820 . 0 0 "[ . 1 . 2]" 1
2497 2 22 ILE H 2 22 ILE HG12 . . 4.550 4.328 3.918 4.453 . 0 0 "[ . 1 . 2]" 1
2498 2 22 ILE H 2 22 ILE HB . . 3.250 2.443 2.270 2.526 . 0 0 "[ . 1 . 2]" 1
2499 2 17 ILE MD 2 22 ILE H . . 4.410 3.693 3.477 3.793 . 0 0 "[ . 1 . 2]" 1
2500 2 17 ILE MD 2 21 HIS H . . 4.990 4.989 4.755 5.129 0.139 19 0 "[ . 1 . 2]" 1
2501 2 8 VAL QG 2 21 HIS H . . 5.500 5.248 4.963 5.536 0.036 3 0 "[ . 1 . 2]" 1
2502 2 17 ILE MG 2 21 HIS H . . 5.500 5.937 5.677 6.105 0.605 11 6 "[ . ** 1+ .-* *2]" 1
2503 2 21 HIS H 2 22 ILE MG . . 4.640 4.565 4.143 4.982 0.342 11 0 "[ . 1 . 2]" 1
2504 2 18 PRO QG 2 21 HIS H . . 3.860 3.002 2.491 3.235 . 0 0 "[ . 1 . 2]" 1
2505 2 21 HIS H 2 22 ILE HB . . 4.530 4.628 4.351 4.815 0.285 13 0 "[ . 1 . 2]" 1
2506 2 18 PRO QB 2 21 HIS H . . 4.210 3.260 3.011 3.628 . 0 0 "[ . 1 . 2]" 1
2507 2 21 HIS H 2 21 HIS HB3 . . 3.800 3.297 2.526 3.642 . 0 0 "[ . 1 . 2]" 1
2508 2 21 HIS H 2 21 HIS HB2 . . 3.800 2.415 2.263 2.612 . 0 0 "[ . 1 . 2]" 1
2509 2 18 PRO HD3 2 21 HIS H . . 5.330 5.750 5.327 6.021 0.691 11 6 "[ *. ** 1+ * . -2]" 1
2510 2 20 SER HB3 2 21 HIS H . . 4.600 3.316 2.574 4.027 . 0 0 "[ . 1 . 2]" 1
2511 2 20 SER HB2 2 21 HIS H . . 4.600 3.412 2.581 4.020 . 0 0 "[ . 1 . 2]" 1
2512 2 21 HIS H 2 22 ILE H . . 3.140 2.520 2.356 2.663 . 0 0 "[ . 1 . 2]" 1
2513 2 19 GLU H 2 21 HIS H . . 4.740 4.207 4.060 4.356 . 0 0 "[ . 1 . 2]" 1
2514 2 20 SER H 2 21 HIS H . . 4.130 2.621 2.487 2.736 . 0 0 "[ . 1 . 2]" 1
2515 2 18 PRO HA 2 20 SER H . . 4.920 4.633 4.337 4.912 . 0 0 "[ . 1 . 2]" 1
2516 2 20 SER H 2 20 SER HB3 . . 4.050 2.945 2.513 3.672 . 0 0 "[ . 1 . 2]" 1
2517 2 20 SER H 2 20 SER HB2 . . 4.050 2.780 2.517 3.581 . 0 0 "[ . 1 . 2]" 1
2518 2 18 PRO QB 2 20 SER H . . 4.380 3.098 2.743 3.402 . 0 0 "[ . 1 . 2]" 1
2519 2 18 PRO QG 2 20 SER H . . 5.500 4.334 3.899 4.596 . 0 0 "[ . 1 . 2]" 1
2520 2 19 GLU HB3 2 20 SER H . . 4.140 2.797 2.523 2.971 . 0 0 "[ . 1 . 2]" 1
2521 2 19 GLU HB2 2 20 SER H . . 4.370 4.004 3.851 4.171 . 0 0 "[ . 1 . 2]" 1
2522 2 8 VAL H 2 17 ILE H . . 3.740 3.221 2.742 3.418 . 0 0 "[ . 1 . 2]" 1
2523 2 16 ASN HD21 2 17 ILE H . . 4.100 3.862 2.300 4.224 0.124 6 0 "[ . 1 . 2]" 1
2524 2 16 ASN HD22 2 17 ILE H . . 4.520 4.213 3.430 4.605 0.085 13 0 "[ . 1 . 2]" 1
2525 2 16 ASN HA 2 17 ILE H . . 3.090 2.129 2.089 2.185 . 0 0 "[ . 1 . 2]" 1
2526 2 9 ASP HA 2 17 ILE H . . 3.760 3.153 2.878 3.467 . 0 0 "[ . 1 . 2]" 1
2527 2 17 ILE H 2 18 PRO HD3 . . 5.160 5.103 4.928 5.221 0.061 12 0 "[ . 1 . 2]" 1
2528 2 17 ILE H 2 18 PRO HD2 . . 4.920 4.854 4.800 4.910 . 0 0 "[ . 1 . 2]" 1
2529 2 16 ASN HB2 2 17 ILE H . . 4.580 4.308 4.194 4.421 . 0 0 "[ . 1 . 2]" 1
2530 2 16 ASN HB3 2 17 ILE H . . 4.220 4.230 4.099 4.388 0.168 19 0 "[ . 1 . 2]" 1
2531 2 9 ASP QB 2 17 ILE H . . 5.360 5.112 4.834 5.442 0.082 11 0 "[ . 1 . 2]" 1
2532 2 17 ILE H 2 17 ILE HG12 . . 3.490 2.343 2.192 2.506 . 0 0 "[ . 1 . 2]" 1
2533 2 17 ILE H 2 17 ILE HG13 . . 3.930 2.957 2.786 3.053 . 0 0 "[ . 1 . 2]" 1
2534 2 17 ILE H 2 17 ILE HB . . 3.950 3.854 3.811 3.915 . 0 0 "[ . 1 . 2]" 1
2535 2 17 ILE H 2 17 ILE MD . . 4.280 3.956 3.848 4.086 . 0 0 "[ . 1 . 2]" 1
2536 2 8 VAL QG 2 17 ILE H . . 3.930 3.782 3.569 4.214 0.284 3 0 "[ . 1 . 2]" 1
2537 2 15 VAL MG2 2 17 ILE H . . 4.630 4.408 4.058 4.657 0.027 10 0 "[ . 1 . 2]" 1
2538 2 15 VAL MG2 2 16 ASN H . . 3.910 3.908 3.730 4.082 0.172 12 0 "[ . 1 . 2]" 1
2539 2 15 VAL MG1 2 16 ASN H . . 3.970 3.992 3.897 4.071 0.101 14 0 "[ . 1 . 2]" 1
2540 2 16 ASN H 2 17 ILE MD . . 5.500 5.473 5.224 5.654 0.154 11 0 "[ . 1 . 2]" 1
2541 2 16 ASN H 2 16 ASN HB2 . . 3.220 2.724 2.634 2.829 . 0 0 "[ . 1 . 2]" 1
2542 2 16 ASN H 2 16 ASN HB3 . . 3.260 2.580 2.459 2.642 . 0 0 "[ . 1 . 2]" 1
2543 2 9 ASP HA 2 16 ASN H . . 4.900 4.473 4.044 4.751 . 0 0 "[ . 1 . 2]" 1
2544 2 16 ASN H 2 16 ASN HD22 . . 5.500 5.852 5.804 5.892 0.392 10 0 "[ . 1 . 2]" 1
2545 2 16 ASN H 2 17 ILE H . . 4.740 4.437 4.299 4.515 . 0 0 "[ . 1 . 2]" 1
2546 2 16 ASN H 2 16 ASN HD21 . . 4.580 4.676 4.594 4.761 0.181 15 0 "[ . 1 . 2]" 1
2547 2 15 VAL H 2 17 ILE MD . . 5.050 4.524 4.365 5.186 0.136 11 0 "[ . 1 . 2]" 1
2548 2 15 VAL H 2 15 VAL MG1 . . 3.000 2.819 2.048 2.967 . 0 0 "[ . 1 . 2]" 1
2549 2 15 VAL H 2 15 VAL MG2 . . 3.000 2.249 2.190 2.301 . 0 0 "[ . 1 . 2]" 1
2550 2 10 CYS QB 2 15 VAL H . . 3.510 2.279 2.153 2.853 . 0 0 "[ . 1 . 2]" 1
2551 2 14 GLY H 2 15 VAL H . . 3.540 2.873 2.644 3.194 . 0 0 "[ . 1 . 2]" 1
2552 2 13 CYS H 2 14 GLY H . . 3.290 2.232 2.042 2.373 . 0 0 "[ . 1 . 2]" 1
2553 2 12 VAL H 2 14 GLY H . . 3.970 3.365 3.045 3.578 . 0 0 "[ . 1 . 2]" 1
2554 2 10 CYS HA 2 14 GLY H . . 4.730 5.065 5.049 5.090 0.360 15 0 "[ . 1 . 2]" 1
2555 2 10 CYS QB 2 14 GLY H . . 3.900 3.335 3.250 3.445 . 0 0 "[ . 1 . 2]" 1
2556 2 12 VAL HA 2 14 GLY H . . 5.000 4.538 4.399 4.766 . 0 0 "[ . 1 . 2]" 1
2557 2 13 CYS HB3 2 14 GLY H . . 4.340 4.320 4.141 4.433 0.093 15 0 "[ . 1 . 2]" 1
2558 2 13 CYS HB2 2 14 GLY H . . 4.340 4.367 4.100 4.529 0.189 11 0 "[ . 1 . 2]" 1
2559 2 14 GLY H 2 15 VAL MG2 . . 4.050 4.093 3.706 4.372 0.322 11 0 "[ . 1 . 2]" 1
2560 2 12 VAL H 2 12 VAL MG2 . . 3.180 2.210 1.944 2.526 . 0 0 "[ . 1 . 2]" 1
2561 2 11 PRO QB 2 12 VAL H . . 4.500 3.625 2.864 3.945 . 0 0 "[ . 1 . 2]" 1
2562 2 12 VAL H 2 12 VAL HB . . 3.280 2.661 2.602 2.726 . 0 0 "[ . 1 . 2]" 1
2563 2 10 CYS QB 2 12 VAL H . . 4.470 3.959 3.743 4.141 . 0 0 "[ . 1 . 2]" 1
2564 2 11 PRO HD2 2 12 VAL H . . 4.430 3.230 3.018 3.447 . 0 0 "[ . 1 . 2]" 1
2565 2 10 CYS HA 2 12 VAL H . . 4.420 3.869 3.769 3.988 . 0 0 "[ . 1 . 2]" 1
2566 2 12 VAL H 2 13 CYS HA . . 5.190 5.133 4.939 5.313 0.123 13 0 "[ . 1 . 2]" 1
2567 2 12 VAL H 2 15 VAL H . . 5.050 5.290 5.063 5.944 0.894 11 1 "[ . 1+ . 2]" 1
2568 2 12 VAL H 2 13 CYS H . . 3.240 2.520 2.241 2.767 . 0 0 "[ . 1 . 2]" 1
2569 2 9 ASP H 2 10 CYS H . . 4.640 4.502 4.420 4.634 . 0 0 "[ . 1 . 2]" 1
2570 2 9 ASP H 2 17 ILE H . . 5.130 4.861 4.718 5.092 . 0 0 "[ . 1 . 2]" 1
2571 2 9 ASP H 2 16 ASN HD21 . . 5.290 4.211 3.034 4.759 . 0 0 "[ . 1 . 2]" 1
2572 2 9 ASP H 2 16 ASN HD22 . . 5.500 4.876 3.602 5.478 . 0 0 "[ . 1 . 2]" 1
2573 2 9 ASP H 2 16 ASN HA . . 5.230 4.587 4.063 4.860 . 0 0 "[ . 1 . 2]" 1
2574 2 8 VAL HA 2 9 ASP H . . 2.850 2.579 2.261 2.694 . 0 0 "[ . 1 . 2]" 1
2575 2 8 VAL HB 2 9 ASP H . . 3.050 2.199 2.000 2.903 . 0 0 "[ . 1 . 2]" 1
2576 2 8 VAL QG 2 9 ASP H . . 3.470 3.069 2.980 3.298 . 0 0 "[ . 1 . 2]" 1
2577 2 9 ASP H 2 22 ILE MD . . 4.820 4.529 4.146 5.081 0.261 10 0 "[ . 1 . 2]" 1
2578 2 8 VAL H 2 9 ASP H . . 4.410 4.374 4.354 4.400 . 0 0 "[ . 1 . 2]" 1
2579 2 8 VAL H 2 16 ASN HD22 . . 5.120 3.803 3.520 4.054 . 0 0 "[ . 1 . 2]" 1
2580 2 8 VAL H 2 18 PRO HA . . 4.190 3.431 2.928 3.731 . 0 0 "[ . 1 . 2]" 1
2581 2 7 LYS HA 2 8 VAL H . . 3.270 2.135 2.081 2.183 . 0 0 "[ . 1 . 2]" 1
2582 2 8 VAL H 2 16 ASN HA . . 5.010 4.568 4.117 4.856 . 0 0 "[ . 1 . 2]" 1
2583 2 8 VAL H 2 19 GLU HA . . 5.030 4.713 4.135 5.024 . 0 0 "[ . 1 . 2]" 1
2584 2 8 VAL H 2 8 VAL QG . . 3.130 2.257 2.182 2.351 . 0 0 "[ . 1 . 2]" 1
2585 2 8 VAL H 2 17 ILE HG13 . . 4.550 4.447 4.138 4.670 0.120 14 0 "[ . 1 . 2]" 1
2586 2 6 THR MG 2 8 VAL H . . 5.160 4.410 4.253 4.675 . 0 0 "[ . 1 . 2]" 1
2587 2 8 VAL H 2 19 GLU HB2 . . 5.470 5.118 4.348 5.508 0.038 8 0 "[ . 1 . 2]" 1
2588 2 8 VAL H 2 8 VAL HB . . 4.130 3.846 3.795 3.885 . 0 0 "[ . 1 . 2]" 1
2589 2 7 LYS H 2 8 VAL QG . . 4.920 3.729 3.527 3.952 . 0 0 "[ . 1 . 2]" 1
2590 2 6 THR MG 2 7 LYS H . . 3.550 2.711 2.248 3.241 . 0 0 "[ . 1 . 2]" 1
2591 2 6 THR HA 2 7 LYS H . . 2.940 2.237 2.168 2.380 . 0 0 "[ . 1 . 2]" 1
2592 2 7 LYS H 2 18 PRO HA . . 4.980 4.621 4.055 4.951 . 0 0 "[ . 1 . 2]" 1
2593 2 7 LYS H 2 8 VAL H . . 4.690 4.444 4.378 4.500 . 0 0 "[ . 1 . 2]" 1
2594 2 6 THR H 2 6 THR MG . . 4.190 3.793 3.758 3.854 . 0 0 "[ . 1 . 2]" 1
2595 2 5 VAL HB 2 6 THR H . . 4.340 4.369 4.241 4.613 0.273 19 0 "[ . 1 . 2]" 1
2596 2 5 VAL HA 2 6 THR H . . 3.150 2.164 2.109 2.313 . 0 0 "[ . 1 . 2]" 1
2597 2 6 THR H 2 6 THR HB . . 3.750 2.568 2.424 2.684 . 0 0 "[ . 1 . 2]" 1
2598 2 4 GLN HA 2 5 VAL H . . 3.000 2.424 2.295 2.537 . 0 0 "[ . 1 . 2]" 1
2599 2 5 VAL H 2 5 VAL HB . . 3.560 2.701 2.559 3.041 . 0 0 "[ . 1 . 2]" 1
2600 2 4 GLN HG2 2 5 VAL H . . 5.500 4.264 2.206 4.884 . 0 0 "[ . 1 . 2]" 1
2601 2 4 GLN HG3 2 5 VAL H . . 5.500 4.021 2.639 5.056 . 0 0 "[ . 1 . 2]" 1
2602 2 10 CYS H 2 17 ILE H . . 4.410 4.367 3.918 4.775 0.365 3 0 "[ . 1 . 2]" 1
2603 2 19 GLU H 2 20 SER H . . 4.130 2.805 2.648 3.009 . 0 0 "[ . 1 . 2]" 1
2604 2 10 CYS H 2 15 VAL H . . 3.890 2.835 2.576 3.768 . 0 0 "[ . 1 . 2]" 1
2605 2 10 CYS H 2 14 GLY H . . 4.150 4.486 4.231 4.682 0.532 8 1 "[ . + 1 . 2]" 1
2606 2 10 CYS H 2 17 ILE MD . . 4.620 3.674 3.371 4.188 . 0 0 "[ . 1 . 2]" 1
2607 2 8 VAL QG 2 19 GLU H . . 3.510 3.340 3.153 3.632 0.122 3 0 "[ . 1 . 2]" 1
2608 2 9 ASP HA 2 10 CYS H . . 3.110 2.219 2.158 2.265 . 0 0 "[ . 1 . 2]" 1
2609 2 7 LYS HA 2 19 GLU H . . 3.780 3.790 3.386 4.179 0.399 9 0 "[ . 1 . 2]" 1
2610 2 18 PRO HA 2 19 GLU H . . 3.090 2.369 2.293 2.445 . 0 0 "[ . 1 . 2]" 1
2611 2 6 THR HB 2 19 GLU H . . 4.400 4.158 3.626 4.474 0.074 18 0 "[ . 1 . 2]" 1
2612 2 10 CYS H 2 14 GLY HA2 . . 4.620 4.036 3.679 4.560 . 0 0 "[ . 1 . 2]" 1
2613 2 10 CYS H 2 10 CYS QB . . 3.430 2.299 2.241 2.381 . 0 0 "[ . 1 . 2]" 1
2614 2 19 GLU H 2 19 GLU HB3 . . 3.800 2.504 2.312 2.672 . 0 0 "[ . 1 . 2]" 1
2615 2 19 GLU H 2 19 GLU HB2 . . 3.250 2.430 2.301 2.694 . 0 0 "[ . 1 . 2]" 1
2616 2 18 PRO QB 2 19 GLU H . . 3.650 2.678 2.474 2.856 . 0 0 "[ . 1 . 2]" 1
2617 2 6 THR MG 2 19 GLU H . . 4.770 4.947 4.514 5.144 0.374 18 0 "[ . 1 . 2]" 1
2618 2 19 GLU H 2 22 ILE MG . . 5.340 4.613 4.361 5.034 . 0 0 "[ . 1 . 2]" 1
2619 2 17 ILE MD 2 25 HIS H . . 4.150 3.718 3.537 3.926 . 0 0 "[ . 1 . 2]" 1
2620 2 12 VAL MG1 2 13 CYS H . . 3.450 3.435 3.272 3.577 0.127 10 0 "[ . 1 . 2]" 1
2621 2 12 VAL MG2 2 13 CYS H . . 3.790 3.665 3.488 3.819 0.029 7 0 "[ . 1 . 2]" 1
2622 2 24 LYS HG2 2 25 HIS H . . 5.300 4.444 3.152 5.086 . 0 0 "[ . 1 . 2]" 1
2623 2 24 LYS HG3 2 25 HIS H . . 5.300 4.110 3.481 5.057 . 0 0 "[ . 1 . 2]" 1
2624 2 25 HIS H 2 26 LEU HB2 . . 4.960 4.846 4.651 4.980 0.020 6 0 "[ . 1 . 2]" 1
2625 2 24 LYS HB3 2 25 HIS H . . 3.280 2.586 2.179 2.938 . 0 0 "[ . 1 . 2]" 1
2626 2 13 CYS H 2 29 CYS HB3 . . 4.680 3.926 3.566 4.286 . 0 0 "[ . 1 . 2]" 1
2627 2 12 VAL HB 2 13 CYS H . . 3.110 2.368 2.132 2.623 . 0 0 "[ . 1 . 2]" 1
2628 2 25 HIS H 2 25 HIS HB2 . . 3.280 2.179 2.137 2.267 . 0 0 "[ . 1 . 2]" 1
2629 2 25 HIS H 2 25 HIS HB3 . . 3.360 3.248 3.062 3.358 . 0 0 "[ . 1 . 2]" 1
2630 2 10 CYS HA 2 13 CYS H . . 5.180 5.036 4.861 5.303 0.123 6 0 "[ . 1 . 2]" 1
2631 2 23 ASN HA 2 25 HIS H . . 5.500 4.570 4.361 4.991 . 0 0 "[ . 1 . 2]" 1
2632 2 21 HIS HA 2 25 HIS H . . 4.830 3.817 3.531 4.065 . 0 0 "[ . 1 . 2]" 1
2633 2 25 HIS H 2 26 LEU H . . 3.530 2.655 2.530 2.714 . 0 0 "[ . 1 . 2]" 1
2634 2 24 LYS H 2 25 HIS H . . 3.410 2.748 2.623 2.888 . 0 0 "[ . 1 . 2]" 1
2635 2 13 CYS H 2 15 VAL H . . 4.360 4.196 4.005 4.440 0.080 6 0 "[ . 1 . 2]" 1
2636 1 5 GLN HA 1 19 GLU QG . . 4.340 3.947 3.458 5.126 0.786 5 3 "[ *+ - . 2]" 1
2637 1 5 GLN QE 1 19 GLU QG . . 5.060 3.522 1.973 5.150 0.090 10 0 "[ . 1 . 2]" 1
2638 1 6 ILE H 1 19 GLU QG . . 5.340 5.168 4.732 6.062 0.722 10 3 "[ -* + . 2]" 1
2639 1 6 ILE HA 1 67 GLU QG . . 4.590 4.441 3.642 5.088 0.498 15 0 "[ . 1 . 2]" 1
2640 1 6 ILE HA 1 68 SER QB . . 4.620 4.821 4.554 5.019 0.399 3 0 "[ . 1 . 2]" 1
2641 1 6 ILE MG 1 7 PHE QB . . 5.130 5.345 5.238 5.418 0.288 6 0 "[ . 1 . 2]" 1
2642 1 6 ILE MG 1 67 GLU QG . . 4.930 4.561 4.211 5.073 0.143 15 0 "[ . 1 . 2]" 1
2643 1 6 ILE MG 1 68 SER QB . . 3.690 3.122 2.881 3.383 . 0 0 "[ . 1 . 2]" 1
2644 1 6 ILE MD 1 68 SER QB . . 5.280 5.709 5.524 5.896 0.616 3 4 "[ +-* 1 * . 2]" 1
2645 1 7 PHE H 1 68 SER QB . . 4.550 4.533 4.396 4.663 0.113 12 0 "[ . 1 . 2]" 1
2646 1 7 PHE QB 1 15 THR MG . . 3.880 2.430 2.129 2.804 . 0 0 "[ . 1 . 2]" 1
2647 1 7 PHE QB 1 69 THR H . . 4.580 4.318 4.094 4.653 0.073 20 0 "[ . 1 . 2]" 1
2648 1 7 PHE QB 1 69 THR HA . . 3.370 2.453 2.208 2.805 . 0 0 "[ . 1 . 2]" 1
2649 1 7 PHE QB 1 69 THR HB . . 4.700 4.232 3.896 4.598 . 0 0 "[ . 1 . 2]" 1
2650 1 7 PHE QB 1 69 THR MG . . 3.310 2.653 2.232 3.010 . 0 0 "[ . 1 . 2]" 1
2651 1 7 PHE QB 1 70 LEU H . . 4.020 3.962 3.691 4.260 0.240 20 0 "[ . 1 . 2]" 1
2652 1 11 LEU QD 2 11 PRO QG . . 3.880 2.580 1.914 3.018 . 0 0 "[ . 1 . 2]" 1
2653 1 17 THR MG 1 19 GLU QG . . 4.260 3.364 2.741 4.178 . 0 0 "[ . 1 . 2]" 1
2654 1 18 LEU HA 1 19 GLU QG . . 4.070 3.541 3.195 4.583 0.513 6 1 "[ .+ 1 . 2]" 1
2655 1 19 GLU H 1 19 GLU QG . . 3.340 2.962 2.540 3.542 0.202 3 0 "[ . 1 . 2]" 1
2656 1 19 GLU HA 1 19 GLU QG . . 3.390 2.610 2.432 3.172 . 0 0 "[ . 1 . 2]" 1
2657 1 19 GLU QG 1 20 VAL H . . 4.590 4.587 4.429 4.998 0.408 10 0 "[ . 1 . 2]" 1
2658 1 19 GLU QG 1 36 LYS QE . . 3.940 3.420 2.630 4.710 0.770 6 3 "[ * .+ 1- . 2]" 1
2659 1 20 VAL HA 1 24 ASP QB . . 4.560 4.047 3.799 4.437 . 0 0 "[ . 1 . 2]" 1
2660 1 20 VAL QG 1 24 ASP QB . . 4.400 2.854 2.611 3.152 . 0 0 "[ . 1 . 2]" 1
2661 1 21 GLU H 1 21 GLU QB . . 3.300 2.681 2.612 2.787 . 0 0 "[ . 1 . 2]" 1
2662 1 21 GLU H 1 24 ASP QB . . 3.540 1.964 1.785 2.413 . 0 0 "[ . 1 . 2]" 1
2663 1 21 GLU QB 1 22 PRO QD . . 3.150 2.419 2.152 2.749 . 0 0 "[ . 1 . 2]" 1
2664 1 21 GLU QB 1 23 SER H . . 3.050 2.474 2.289 2.656 . 0 0 "[ . 1 . 2]" 1
2665 1 21 GLU QB 1 23 SER QB . . 4.830 3.264 2.911 4.187 . 0 0 "[ . 1 . 2]" 1
2666 1 21 GLU QB 1 24 ASP QB . . 4.480 2.106 1.804 2.295 . 0 0 "[ . 1 . 2]" 1
2667 1 21 GLU QG 1 24 ASP QB . . 4.180 2.571 2.256 2.787 . 0 0 "[ . 1 . 2]" 1
2668 1 23 SER H 1 24 ASP QB . . 4.240 3.987 3.760 4.111 . 0 0 "[ . 1 . 2]" 1
2669 1 24 ASP H 1 24 ASP QB . . 2.910 2.250 2.158 2.330 . 0 0 "[ . 1 . 2]" 1
2670 1 24 ASP QB 1 25 THR H . . 3.110 1.986 1.734 3.162 0.052 18 0 "[ . 1 . 2]" 1
2671 1 24 ASP QB 1 28 ASN QB . . 4.350 3.877 3.443 4.271 . 0 0 "[ . 1 . 2]" 1
2672 1 24 ASP QB 1 29 VAL H . . 5.340 5.162 4.895 5.353 0.013 18 0 "[ . 1 . 2]" 1
2673 1 24 ASP QB 1 29 VAL MG2 . . 4.020 3.558 3.314 3.987 . 0 0 "[ . 1 . 2]" 1
2674 1 24 ASP QB 1 58 THR MG . . 4.850 4.428 4.304 4.686 . 0 0 "[ . 1 . 2]" 1
2675 1 24 ASP QB 1 59 LEU H . . 4.680 4.613 4.268 5.039 0.359 12 0 "[ . 1 . 2]" 1
2676 1 24 ASP QB 1 59 LEU HG . . 4.700 4.296 3.819 5.055 0.355 12 0 "[ . 1 . 2]" 1
2677 1 24 ASP QB 1 59 LEU QD . . 3.870 3.648 2.892 4.255 0.385 12 0 "[ . 1 . 2]" 1
2678 1 26 ILE MG 1 55 ASP QB . . 4.720 4.297 3.659 4.677 . 0 0 "[ . 1 . 2]" 1
2679 1 27 GLU HA 1 27 GLU QG . . 3.250 2.547 2.423 3.117 . 0 0 "[ . 1 . 2]" 1
2680 1 27 GLU HA 1 55 ASP QB . . 4.580 3.206 2.447 3.607 . 0 0 "[ . 1 . 2]" 1
2681 1 27 GLU HB2 1 55 ASP QB . . 3.860 2.020 1.831 2.570 . 0 0 "[ . 1 . 2]" 1
2682 1 27 GLU QG 1 28 ASN H . . 4.070 3.890 3.524 4.559 0.489 12 0 "[ . 1 . 2]" 1
2683 1 27 GLU QG 1 30 LYS QE . . 5.340 4.246 3.705 4.889 . 0 0 "[ . 1 . 2]" 1
2684 1 27 GLU QG 1 55 ASP QB . . 3.780 2.820 1.806 3.371 . 0 0 "[ . 1 . 2]" 1
2685 1 40 PRO HB3 1 42 ASP QB . . 5.340 4.547 4.256 4.952 . 0 0 "[ . 1 . 2]" 1
2686 1 40 PRO HG2 1 42 ASP QB . . 4.410 3.187 2.701 3.583 . 0 0 "[ . 1 . 2]" 1
2687 1 41 PRO HB2 1 42 ASP QB . . 5.340 4.813 4.673 4.943 . 0 0 "[ . 1 . 2]" 1
2688 1 41 PRO QD 1 42 ASP QB . . 4.620 4.328 4.123 4.528 . 0 0 "[ . 1 . 2]" 1
2689 1 42 ASP HA 1 42 ASP QB . . 2.500 2.389 2.361 2.471 . 0 0 "[ . 1 . 2]" 1
2690 1 42 ASP QB 1 43 GLN H . . 3.670 2.659 2.515 2.931 . 0 0 "[ . 1 . 2]" 1
2691 1 43 GLN H 1 75 ARG QD . . 5.340 4.551 4.300 5.709 0.369 3 0 "[ . 1 . 2]" 1
2692 1 43 GLN HA 1 75 ARG QD . . 3.610 2.456 2.099 3.231 . 0 0 "[ . 1 . 2]" 1
2693 1 43 GLN QB 1 75 ARG QD . . 4.790 4.450 4.204 4.913 0.123 3 0 "[ . 1 . 2]" 1
2694 1 43 GLN QB 1 76 LEU QD . . 3.570 2.859 2.059 3.410 . 0 0 "[ . 1 . 2]" 1
2695 1 43 GLN QG 1 75 ARG QD . . 4.840 4.446 4.023 4.729 . 0 0 "[ . 1 . 2]" 1
2696 1 43 GLN QG 1 77 ARG QG . . 4.050 3.512 2.526 3.963 . 0 0 "[ . 1 . 2]" 1
2697 1 44 GLN H 1 75 ARG QD . . 5.340 4.527 4.129 5.824 0.484 3 0 "[ . 1 . 2]" 1
2698 1 44 GLN HA 1 76 LEU QD . . 5.320 4.938 4.054 5.412 0.092 18 0 "[ . 1 . 2]" 1
2699 1 45 ARG HA 1 45 ARG QG . . 2.950 2.372 2.213 2.440 . 0 0 "[ . 1 . 2]" 1
2700 1 45 ARG QB 2 26 LEU QD . . 4.360 3.148 2.641 3.875 . 0 0 "[ . 1 . 2]" 1
2701 1 45 ARG QG 1 46 LEU H . . 3.390 2.874 2.628 3.078 . 0 0 "[ . 1 . 2]" 1
2702 1 45 ARG QG 1 46 LEU HA . . 5.340 4.708 4.495 5.150 . 0 0 "[ . 1 . 2]" 1
2703 1 45 ARG QG 1 47 ILE HG13 . . 5.050 3.020 2.615 3.771 . 0 0 "[ . 1 . 2]" 1
2704 1 45 ARG QG 1 47 ILE MD . . 3.250 3.099 2.806 3.603 0.353 20 0 "[ . 1 . 2]" 1
2705 1 45 ARG QG 1 52 GLN QG . . 4.150 2.783 2.087 3.323 . 0 0 "[ . 1 . 2]" 1
2706 1 45 ARG QG 1 73 VAL HB . . 4.690 3.756 3.530 4.012 . 0 0 "[ . 1 . 2]" 1
2707 1 45 ARG HD2 1 52 GLN QG . . 5.340 5.104 4.223 5.571 0.231 11 0 "[ . 1 . 2]" 1
2708 1 45 ARG HD2 1 75 ARG QD . . 3.890 3.293 2.242 4.756 0.866 14 1 "[ . 1 +. 2]" 1
2709 1 45 ARG HD2 2 26 LEU QD . . 4.320 3.145 2.829 4.054 . 0 0 "[ . 1 . 2]" 1
2710 1 45 ARG HD3 1 52 GLN QG . . 5.290 4.475 3.413 5.152 . 0 0 "[ . 1 . 2]" 1
2711 1 45 ARG HD3 2 26 LEU QD . . 3.850 2.028 1.778 2.970 . 0 0 "[ . 1 . 2]" 1
2712 1 46 LEU H 1 52 GLN QG . . 4.000 3.722 3.367 4.030 0.030 19 0 "[ . 1 . 2]" 1
2713 1 47 ILE H 1 52 GLN QG . . 5.210 5.438 5.074 5.828 0.618 8 2 "[ -. + 1 . 2]" 1
2714 1 47 ILE HA 1 52 GLN QB . . 4.690 4.506 4.323 4.736 0.046 4 0 "[ . 1 . 2]" 1
2715 1 47 ILE HA 1 52 GLN QG . . 4.510 4.218 3.817 4.615 0.105 8 0 "[ . 1 . 2]" 1
2716 1 47 ILE HG12 1 52 GLN QB . . 4.480 3.072 2.753 3.494 . 0 0 "[ . 1 . 2]" 1
2717 1 47 ILE HG12 1 52 GLN QG . . 4.850 3.226 2.399 3.983 . 0 0 "[ . 1 . 2]" 1
2718 1 47 ILE HG12 2 26 LEU QD . . 4.240 3.721 2.977 4.496 0.256 12 0 "[ . 1 . 2]" 1
2719 1 47 ILE HG13 1 52 GLN QG . . 4.420 3.372 2.657 4.103 . 0 0 "[ . 1 . 2]" 1
2720 1 47 ILE HG13 2 26 LEU QD . . 4.240 3.692 3.323 4.421 0.181 12 0 "[ . 1 . 2]" 1
2721 1 47 ILE MD 1 52 GLN QG . . 4.250 3.756 2.969 4.504 0.254 8 0 "[ . 1 . 2]" 1
2722 1 47 ILE MD 2 11 PRO QG . . 3.840 2.366 1.962 2.849 . 0 0 "[ . 1 . 2]" 1
2723 1 47 ILE MD 2 26 LEU QD . . 3.370 1.784 1.640 2.458 . 0 0 "[ . 1 . 2]" 1
2724 1 49 ALA MB 1 51 LYS QE . . 3.420 1.939 1.804 2.062 . 0 0 "[ . 1 . 2]" 1
2725 1 51 LYS H 1 51 LYS QE . . 4.140 3.182 2.706 3.562 . 0 0 "[ . 1 . 2]" 1
2726 1 51 LYS HA 1 52 GLN QB . . 4.630 4.138 3.996 4.274 . 0 0 "[ . 1 . 2]" 1
2727 1 51 LYS HB3 1 51 LYS QE . . 4.330 2.054 1.904 2.266 . 0 0 "[ . 1 . 2]" 1
2728 1 51 LYS QE 1 51 LYS QG . . 3.310 2.372 2.314 2.412 . 0 0 "[ . 1 . 2]" 1
2729 1 52 GLN H 1 52 GLN QB . . 2.820 2.295 2.241 2.350 . 0 0 "[ . 1 . 2]" 1
2730 1 52 GLN H 1 52 GLN QG . . 4.560 4.037 4.002 4.135 . 0 0 "[ . 1 . 2]" 1
2731 1 52 GLN QB 1 53 LEU H . . 4.160 3.675 3.529 3.795 . 0 0 "[ . 1 . 2]" 1
2732 1 52 GLN QB 2 30 LEU QD . . 3.260 2.100 1.694 2.863 . 0 0 "[ . 1 . 2]" 1
2733 1 52 GLN QG 1 53 LEU H . . 4.120 2.775 2.430 3.471 . 0 0 "[ . 1 . 2]" 1
2734 1 52 GLN QG 1 53 LEU HG . . 5.340 4.730 4.465 5.227 . 0 0 "[ . 1 . 2]" 1
2735 1 54 GLU HA 1 55 ASP QB . . 4.810 4.430 4.268 4.542 . 0 0 "[ . 1 . 2]" 1
2736 1 55 ASP QB 1 56 GLY HA2 . . 4.660 4.003 3.737 4.462 . 0 0 "[ . 1 . 2]" 1
2737 1 55 ASP QB 1 56 GLY HA3 . . 5.340 4.417 4.005 5.066 . 0 0 "[ . 1 . 2]" 1
2738 1 64 ILE HA 1 68 SER QB . . 3.840 3.073 2.836 3.356 . 0 0 "[ . 1 . 2]" 1
2739 1 66 LYS HA 1 67 GLU QG . . 3.970 4.088 3.908 4.232 0.262 16 0 "[ . 1 . 2]" 1
2740 1 66 LYS HB3 1 67 GLU QG . . 4.870 4.391 4.278 4.498 . 0 0 "[ . 1 . 2]" 1
2741 1 66 LYS HG3 1 67 GLU QG . . 3.510 3.064 2.479 3.549 0.039 7 0 "[ . 1 . 2]" 1
2742 1 66 LYS QD 1 67 GLU QG . . 4.140 4.263 3.601 4.668 0.528 7 1 "[ . + 1 . 2]" 1
2743 1 66 LYS HE3 1 67 GLU QG . . 4.650 3.700 2.717 4.713 0.063 7 0 "[ . 1 . 2]" 1
2744 1 67 GLU H 1 67 GLU QG . . 3.410 2.878 2.604 3.173 . 0 0 "[ . 1 . 2]" 1
2745 1 67 GLU HA 1 67 GLU QG . . 3.150 2.711 2.440 3.114 . 0 0 "[ . 1 . 2]" 1
2746 1 67 GLU QG 1 68 SER H . . 4.550 4.567 4.478 4.672 0.122 5 0 "[ . 1 . 2]" 1
2747 1 68 SER H 1 68 SER QB . . 3.070 2.461 2.430 2.492 . 0 0 "[ . 1 . 2]" 1
2748 1 68 SER QB 1 69 THR H . . 3.210 3.016 2.754 3.157 . 0 0 "[ . 1 . 2]" 1
2749 1 68 SER QB 1 69 THR HA . . 4.570 4.369 4.245 4.437 . 0 0 "[ . 1 . 2]" 1
2750 1 74 LEU HA 1 76 LEU QD . . 3.720 3.332 2.447 3.791 0.071 8 0 "[ . 1 . 2]" 1
2751 1 74 LEU QB 1 76 LEU QD . . 3.270 1.896 1.712 2.326 . 0 0 "[ . 1 . 2]" 1
2752 1 75 ARG H 1 75 ARG QD . . 3.910 4.210 3.647 4.628 0.718 3 2 "[ + . 1 -. 2]" 1
2753 1 75 ARG H 1 76 LEU QD . . 3.600 2.722 2.223 4.208 0.608 2 1 "[ + . 1 . 2]" 1
2754 1 75 ARG HA 1 75 ARG QD . . 4.690 4.280 3.998 4.390 . 0 0 "[ . 1 . 2]" 1
2755 1 75 ARG HA 1 76 LEU QD . . 4.880 4.113 3.400 5.089 0.209 2 0 "[ . 1 . 2]" 1
2756 1 75 ARG HB2 1 75 ARG QD . . 3.070 2.482 2.329 2.595 . 0 0 "[ . 1 . 2]" 1
2757 1 75 ARG HB3 1 75 ARG QD . . 3.090 2.929 2.383 3.215 0.125 20 0 "[ . 1 . 2]" 1
2758 1 75 ARG QD 1 76 LEU H . . 5.150 4.802 4.532 5.573 0.423 19 0 "[ . 1 . 2]" 1
2759 1 76 LEU H 1 76 LEU QD . . 3.360 2.229 1.880 2.956 . 0 0 "[ . 1 . 2]" 1
2760 1 76 LEU HA 1 76 LEU QD . . 2.630 2.005 1.941 2.122 . 0 0 "[ . 1 . 2]" 1
2761 1 76 LEU HB3 1 76 LEU QD . . 2.740 2.367 2.201 2.468 . 0 0 "[ . 1 . 2]" 1
2762 1 76 LEU QD 1 77 ARG H . . 4.080 3.970 3.326 4.232 0.152 8 0 "[ . 1 . 2]" 1
2763 1 76 LEU QD 1 77 ARG HA . . 5.440 5.334 4.755 5.654 0.214 8 0 "[ . 1 . 2]" 1
2764 1 76 LEU QD 1 78 GLY H . . 5.440 4.558 3.691 5.119 . 0 0 "[ . 1 . 2]" 1
2765 1 76 LEU QD 1 79 GLY H . . 4.850 3.714 2.859 4.140 . 0 0 "[ . 1 . 2]" 1
2766 1 77 ARG H 1 77 ARG QB . . 2.930 2.466 2.348 2.561 . 0 0 "[ . 1 . 2]" 1
2767 1 77 ARG H 1 77 ARG QG . . 2.890 2.263 2.104 2.526 . 0 0 "[ . 1 . 2]" 1
2768 1 77 ARG H 1 77 ARG QD . . 4.790 3.614 3.128 4.128 . 0 0 "[ . 1 . 2]" 1
2769 1 77 ARG HA 1 77 ARG QG . . 2.790 2.993 2.745 3.143 0.353 4 0 "[ . 1 . 2]" 1
2770 1 77 ARG HA 1 77 ARG QD . . 3.280 2.349 2.032 3.014 . 0 0 "[ . 1 . 2]" 1
2771 1 77 ARG QB 1 77 ARG QD . . 3.250 2.627 2.360 2.941 . 0 0 "[ . 1 . 2]" 1
2772 1 77 ARG QB 1 78 GLY H . . 3.960 2.746 2.121 3.843 . 0 0 "[ . 1 . 2]" 1
2773 1 77 ARG QG 1 78 GLY H . . 4.620 4.154 3.783 4.882 0.262 17 0 "[ . 1 . 2]" 1
2774 1 77 ARG QG 1 78 GLY QA . . 5.340 5.367 5.166 5.688 0.348 7 0 "[ . 1 . 2]" 1
2775 2 4 GLN QG 2 5 VAL H . . 4.790 3.555 2.109 4.251 . 0 0 "[ . 1 . 2]" 1
2776 2 5 VAL H 2 5 VAL QG . . 3.350 1.992 1.895 2.228 . 0 0 "[ . 1 . 2]" 1
2777 2 5 VAL QG 2 6 THR H . . 3.880 3.067 2.599 3.556 . 0 0 "[ . 1 . 2]" 1
2778 2 5 VAL QG 2 6 THR HA . . 4.340 4.024 3.755 4.212 . 0 0 "[ . 1 . 2]" 1
2779 2 5 VAL QG 2 6 THR HB . . 4.490 4.612 4.122 5.103 0.613 19 2 "[ - . 1 . +2]" 1
2780 2 5 VAL QG 2 7 LYS H . . 4.700 4.501 3.962 4.768 0.068 5 0 "[ . 1 . 2]" 1
2781 2 5 VAL QG 2 18 PRO HA . . 4.210 3.289 2.935 3.716 . 0 0 "[ . 1 . 2]" 1
2782 2 5 VAL QG 2 18 PRO QB . . 4.230 2.217 1.885 2.743 . 0 0 "[ . 1 . 2]" 1
2783 2 5 VAL QG 2 18 PRO QG . . 4.460 3.599 2.894 4.170 . 0 0 "[ . 1 . 2]" 1
2784 2 5 VAL QG 2 18 PRO HD3 . . 5.440 4.798 4.125 5.437 . 0 0 "[ . 1 . 2]" 1
2785 2 5 VAL QG 2 19 GLU H . . 4.130 2.615 1.950 3.496 . 0 0 "[ . 1 . 2]" 1
2786 2 5 VAL QG 2 20 SER H . . 4.590 3.053 2.004 4.105 . 0 0 "[ . 1 . 2]" 1
2787 2 6 THR HA 2 7 LYS QB . . 4.450 4.472 4.346 4.594 0.144 16 0 "[ . 1 . 2]" 1
2788 2 6 THR HA 2 7 LYS QD . . 4.030 3.345 2.869 5.143 1.113 14 1 "[ . 1 +. 2]" 1
2789 2 7 LYS H 2 7 LYS QB . . 3.480 2.436 2.355 2.600 . 0 0 "[ . 1 . 2]" 1
2790 2 7 LYS H 2 7 LYS QG . . 4.790 3.530 2.408 3.825 . 0 0 "[ . 1 . 2]" 1
2791 2 7 LYS H 2 7 LYS QD . . 3.680 2.391 2.008 3.595 . 0 0 "[ . 1 . 2]" 1
2792 2 7 LYS HA 2 7 LYS QD . . 4.120 3.068 2.767 4.114 . 0 0 "[ . 1 . 2]" 1
2793 2 7 LYS QB 2 8 VAL H . . 3.360 3.195 3.069 3.287 . 0 0 "[ . 1 . 2]" 1
2794 2 7 LYS QB 2 17 ILE H . . 4.970 4.737 4.052 5.094 0.124 4 0 "[ . 1 . 2]" 1
2795 2 7 LYS QG 2 8 VAL H . . 3.670 4.098 3.862 4.366 0.696 16 8 "[ * *- **1* *.+ 2]" 1
2796 2 7 LYS QG 2 8 VAL HA . . 5.340 6.016 5.851 6.127 0.787 2 20 [*+-*****************] 1
2797 2 7 LYS QG 2 18 PRO HA . . 4.290 3.138 2.288 3.869 . 0 0 "[ . 1 . 2]" 1
2798 2 7 LYS QG 2 18 PRO HD3 . . 5.340 3.753 2.836 4.854 . 0 0 "[ . 1 . 2]" 1
2799 2 10 CYS HA 2 11 PRO QG . . 4.680 3.975 3.888 4.083 . 0 0 "[ . 1 . 2]" 1
2800 2 10 CYS HA 2 26 LEU QD . . 4.270 2.956 2.471 4.116 . 0 0 "[ . 1 . 2]" 1
2801 2 11 PRO QB 2 26 LEU QD . . 4.320 4.048 3.357 4.441 0.121 20 0 "[ . 1 . 2]" 1
2802 2 11 PRO QG 2 12 VAL MG2 . . 3.750 2.788 2.455 4.064 0.314 16 0 "[ . 1 . 2]" 1
2803 2 11 PRO HD2 2 26 LEU QD . . 3.380 1.827 1.698 2.461 . 0 0 "[ . 1 . 2]" 1
2804 2 11 PRO HD3 2 26 LEU QD . . 4.380 3.214 2.878 3.646 . 0 0 "[ . 1 . 2]" 1
2805 2 12 VAL H 2 26 LEU QD . . 4.070 3.231 2.524 3.760 . 0 0 "[ . 1 . 2]" 1
2806 2 12 VAL HB 2 26 LEU QD . . 3.880 3.526 2.979 3.946 0.066 5 0 "[ . 1 . 2]" 1
2807 2 13 CYS H 2 13 CYS QB . . 3.270 2.770 2.631 2.877 . 0 0 "[ . 1 . 2]" 1
2808 2 13 CYS H 2 26 LEU QD . . 4.290 4.470 3.762 5.021 0.731 6 2 "[ .+ 1 . -]" 1
2809 2 13 CYS QB 2 14 GLY H . . 3.670 3.869 3.671 3.985 0.315 11 0 "[ . 1 . 2]" 1
2810 2 17 ILE HB 2 21 HIS QB . . 2.990 2.535 2.285 3.063 0.073 11 0 "[ . 1 . 2]" 1
2811 2 17 ILE MG 2 21 HIS QB . . 4.320 3.491 3.089 3.912 . 0 0 "[ . 1 . 2]" 1
2812 2 17 ILE HG13 2 21 HIS QB . . 5.050 3.859 3.464 4.526 . 0 0 "[ . 1 . 2]" 1
2813 2 17 ILE MD 2 21 HIS QB . . 3.830 3.065 2.440 3.612 . 0 0 "[ . 1 . 2]" 1
2814 2 18 PRO QB 2 21 HIS QB . . 5.090 3.574 3.133 3.811 . 0 0 "[ . 1 . 2]" 1
2815 2 18 PRO QG 2 21 HIS QB . . 4.830 2.041 1.818 2.380 . 0 0 "[ . 1 . 2]" 1
2816 2 20 SER H 2 20 SER QB . . 3.530 2.430 2.263 2.587 . 0 0 "[ . 1 . 2]" 1
2817 2 20 SER HA 2 20 SER QB . . 2.630 2.340 2.213 2.403 . 0 0 "[ . 1 . 2]" 1
2818 2 21 HIS H 2 21 HIS QB . . 3.220 2.317 2.239 2.386 . 0 0 "[ . 1 . 2]" 1
2819 2 22 ILE HG12 2 26 LEU QD . . 5.440 4.096 3.684 5.127 . 0 0 "[ . 1 . 2]" 1
2820 2 22 ILE HG13 2 26 LEU QD . . 5.110 4.264 3.939 5.309 0.199 6 0 "[ . 1 . 2]" 1
2821 2 23 ASN H 2 23 ASN QB . . 3.100 2.288 2.176 2.433 . 0 0 "[ . 1 . 2]" 1
2822 2 23 ASN H 2 26 LEU QD . . 5.440 4.309 3.652 5.123 . 0 0 "[ . 1 . 2]" 1
2823 2 23 ASN HA 2 26 LEU QD . . 3.650 2.409 1.783 3.271 . 0 0 "[ . 1 . 2]" 1
2824 2 23 ASN QB 2 24 LYS H . . 3.640 2.561 2.151 2.881 . 0 0 "[ . 1 . 2]" 1
2825 2 24 LYS H 2 24 LYS QG . . 4.480 4.051 3.868 4.123 . 0 0 "[ . 1 . 2]" 1
2826 2 24 LYS H 2 24 LYS QE . . 5.340 4.809 3.824 6.085 0.745 5 7 "[ + *** . ** -]" 1
2827 2 24 LYS HA 2 24 LYS QG . . 3.140 2.872 2.440 3.192 0.052 16 0 "[ . 1 . 2]" 1
2828 2 24 LYS HA 2 24 LYS QD . . 3.810 2.858 2.079 4.147 0.337 8 0 "[ . 1 . 2]" 1
2829 2 24 LYS HA 2 27 ASP QB . . 3.490 2.917 2.364 3.297 . 0 0 "[ . 1 . 2]" 1
2830 2 24 LYS QE 2 24 LYS QG . . 3.310 2.492 2.177 2.923 . 0 0 "[ . 1 . 2]" 1
2831 2 24 LYS QG 2 25 HIS H . . 4.470 3.667 3.080 4.494 0.024 9 0 "[ . 1 . 2]" 1
2832 2 24 LYS QG 2 27 ASP H . . 5.110 5.155 4.808 5.534 0.424 9 0 "[ . 1 . 2]" 1
2833 2 24 LYS QG 2 28 SER H . . 5.290 4.923 4.634 5.859 0.569 9 1 "[ . +1 . 2]" 1
2834 2 26 LEU H 2 26 LEU QD . . 3.570 3.121 2.255 3.733 0.163 6 0 "[ . 1 . 2]" 1
2835 2 26 LEU HA 2 26 LEU QD . . 3.030 2.047 1.947 2.169 . 0 0 "[ . 1 . 2]" 1
2836 2 26 LEU QD 2 27 ASP H . . 4.880 4.019 3.731 4.269 . 0 0 "[ . 1 . 2]" 1
2837 2 26 LEU QD 2 28 SER H . . 5.290 5.202 4.924 5.319 0.029 3 0 "[ . 1 . 2]" 1
2838 2 26 LEU QD 2 29 CYS H . . 4.380 4.407 3.908 4.741 0.361 8 0 "[ . 1 . 2]" 1
2839 2 26 LEU QD 2 29 CYS HB2 . . 4.180 3.019 2.314 3.462 . 0 0 "[ . 1 . 2]" 1
2840 2 26 LEU QD 2 29 CYS HB3 . . 3.880 3.894 3.127 4.406 0.526 5 1 "[ + 1 . 2]" 1
2841 2 26 LEU QD 2 30 LEU H . . 4.340 4.494 3.384 4.923 0.583 12 3 "[ * 1 + .- 2]" 1
2842 2 27 ASP H 2 27 ASP QB . . 2.860 2.353 2.180 2.550 . 0 0 "[ . 1 . 2]" 1
2843 2 27 ASP QB 2 28 SER H . . 3.270 2.792 2.593 2.940 . 0 0 "[ . 1 . 2]" 1
2844 2 27 ASP QB 2 29 CYS H . . 5.160 4.768 4.627 4.869 . 0 0 "[ . 1 . 2]" 1
2845 2 28 SER H 2 28 SER QB . . 2.800 2.298 2.244 2.330 . 0 0 "[ . 1 . 2]" 1
2846 2 30 LEU QD 2 31 SER QB . . 4.540 3.650 2.711 4.601 0.061 12 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 6
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 241.337
_Distance_constraint_stats_list.Viol_max 0.317
_Distance_constraint_stats_list.Viol_rms 0.1169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1006
_Distance_constraint_stats_list.Viol_average_violations_only 0.2011
_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
2 10 CYS 7.231 0.317 7 0 "[ . 1 . 2]"
2 13 CYS 6.620 0.278 13 0 "[ . 1 . 2]"
2 25 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 CYS 10.283 0.317 7 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 2 10 CYS SG 2 13 CYS SG . . 3.700 3.789 3.755 3.819 0.119 4 0 "[ . 1 . 2]" 2
2 2 10 CYS SG 2 25 HIS ND1 . . 3.670 3.629 3.589 3.663 . 0 0 "[ . 1 . 2]" 2
3 2 10 CYS SG 2 29 CYS SG . . 3.700 3.972 3.931 4.017 0.317 7 0 "[ . 1 . 2]" 2
4 2 13 CYS SG 2 25 HIS ND1 . . 3.670 3.576 3.549 3.622 . 0 0 "[ . 1 . 2]" 2
5 2 13 CYS SG 2 29 CYS SG . . 3.700 3.942 3.896 3.978 0.278 13 0 "[ . 1 . 2]" 2
6 2 25 HIS ND1 2 29 CYS SG . . 3.670 3.624 3.578 3.653 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 104
_Distance_constraint_stats_list.Viol_count 2080
_Distance_constraint_stats_list.Viol_total 19903.805
_Distance_constraint_stats_list.Viol_max 1.121
_Distance_constraint_stats_list.Viol_rms 0.1811
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4785
_Distance_constraint_stats_list.Viol_average_violations_only 0.4785
_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 4 MET 31.557 0.613 14 9 "[ *** - *+*** 2]"
1 5 GLN 9.463 0.348 15 0 "[ . 1 . 2]"
1 6 ILE 49.751 0.853 5 20 [****+**-************]
1 7 PHE 40.627 0.722 18 19 "[ ********-*******+**]"
1 8 VAL 24.693 0.490 8 0 "[ . 1 . 2]"
1 9 LYS 25.028 0.444 3 0 "[ . 1 . 2]"
1 10 THR 36.709 0.649 8 19 "[* **-**+************]"
1 13 GLY 22.035 0.649 8 19 "[* *****+**********-*]"
1 14 LYS 14.674 0.596 19 4 "[ * - 1 * . +2]"
1 16 ILE 24.693 0.490 8 0 "[ . 1 . 2]"
1 18 LEU 49.751 0.853 5 20 [****+**-************]
1 20 VAL 31.557 0.613 14 9 "[ *** - *+*** 2]"
1 21 GLU 26.182 0.793 11 20 [**********+****-****]
1 24 ASP 26.182 0.793 11 20 [**********+****-****]
1 25 THR 23.627 0.809 3 20 [**+***********-*****]
1 26 ILE 28.518 0.583 4 5 "[ *+*- * . 2]"
1 27 GLU 53.669 0.845 18 20 [***********-*****+**]
1 28 ASN 17.550 0.655 19 6 "[- . 1 ** .* *+2]"
1 29 VAL 44.574 0.809 3 20 [**+******-**********]
1 30 LYS 43.390 0.857 6 20 [*****+**************]
1 31 ALA 52.325 0.845 18 20 [*-***************+**]
1 32 LYS 35.697 0.676 11 15 "[- * ** ***+** ** ***]"
1 33 ILE 36.461 0.670 14 16 "[** . ***-***+******]"
1 34 GLN 27.672 0.857 6 20 [*****+*******-******]
1 35 ASP 22.989 0.706 3 19 "[*-+** **************]"
1 36 LYS 18.147 0.676 11 13 "[* * ** ***+ *- ***]"
1 37 GLU 15.515 0.457 14 0 "[ . 1 . 2]"
1 40 PRO 14.099 0.518 6 1 "[ .+ 1 . 2]"
1 43 GLN 27.299 0.605 3 5 "[ + .- 1 .* * *]"
1 45 ARG 39.739 1.121 16 15 "[ *-*.*** *****.+ ***]"
1 46 LEU 11.951 0.424 11 0 "[ . 1 . 2]"
1 47 ILE 36.539 0.764 19 19 [*************-****+2]
1 48 PHE 42.157 0.798 13 19 "[ ***********+*******]"
1 51 LYS 42.157 0.798 13 19 "[ ***********+*******]"
1 53 LEU 11.951 0.424 11 0 "[ . 1 . 2]"
1 54 GLU 51.834 0.982 15 20 [**********-***+*****]
1 55 ASP 24.332 0.801 5 19 "[****+** ***-********]"
1 57 ARG 37.601 0.678 8 20 [*******+****-*******]
1 58 THR 30.542 0.825 1 20 [+****************-**]
1 59 LEU 19.794 0.593 4 18 "[***+*** *-******** *]"
1 60 SER 25.831 0.799 1 20 [+****************-**]
1 61 ASP 30.542 0.825 1 20 [+****************-**]
1 62 TYR 46.827 0.982 15 20 [*********-****+*****]
1 63 ASN 25.831 0.799 1 20 [+****************-**]
1 65 GLN 13.481 0.703 14 20 [*************+**-***]
1 67 GLU 9.463 0.348 15 0 "[ . 1 . 2]"
1 68 SER 35.429 0.722 18 20 [*********-*******+**]
1 70 LEU 30.270 0.668 20 12 "[ ***.* *-** * . **+]"
1 71 HIS 36.539 0.764 19 19 [*************-****+2]
1 72 LEU 13.436 0.444 3 0 "[ . 1 . 2]"
1 73 VAL 30.866 0.646 10 11 "[ - .* * +** *.* ***]"
1 75 ARG 13.200 0.605 3 4 "[ + . 1 .- * *]"
2 8 VAL 28.415 0.591 14 7 "[ *- ** * +. *]"
2 10 CYS 12.070 0.420 6 0 "[ . 1 . 2]"
2 15 VAL 12.070 0.420 6 0 "[ . 1 . 2]"
2 17 ILE 28.415 0.591 14 7 "[ *- ** * +. *]"
2 18 PRO 12.816 0.459 3 0 "[ . 1 . 2]"
2 19 GLU 30.327 0.971 14 20 [**********-**+******]
2 20 SER 30.339 0.897 17 20 [****************+*-*]
2 21 HIS 15.183 0.502 11 1 "[ . 1+ . 2]"
2 22 ILE 30.794 0.599 9 8 "[** . * +1 * . *- *]"
2 23 ASN 54.501 0.971 14 20 [*************+*-****]
2 24 LYS 62.333 0.924 17 20 [****************+*-*]
2 25 HIS 26.405 0.502 11 1 "[ . 1+ . 2]"
2 26 LEU 26.838 0.599 9 8 "[** . * +1 * . *- *]"
2 27 ASP 33.048 1.121 16 19 "[***** *********+****]"
2 28 SER 31.994 0.924 17 20 [*-**************+***]
2 29 CYS 11.222 0.387 8 0 "[ . 1 . 2]"
2 30 LEU 8.860 0.337 19 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 2 18 PRO O 2 22 ILE H . . 1.730 2.107 2.000 2.189 0.459 3 0 "[ . 1 . 2]" 3
2 2 19 GLU O 2 23 ASN H . . 1.730 2.406 2.166 2.513 0.783 14 19 "[ *********-**+******]" 3
3 2 20 SER O 2 24 LYS H . . 1.730 2.407 2.358 2.456 0.726 4 20 [***+**************-*] 3
4 2 21 HIS O 2 25 HIS H . . 1.730 2.062 1.995 2.155 0.425 12 0 "[ . 1 . 2]" 3
5 2 22 ILE O 2 26 LEU H . . 1.730 2.133 1.951 2.243 0.513 9 2 "[ . +1 . - 2]" 3
6 2 23 ASN O 2 27 ASP H . . 1.730 2.283 2.066 2.413 0.683 1 15 "[+**** ***1 ****-** 2]" 3
7 2 24 LYS O 2 28 SER H . . 1.730 2.487 2.392 2.565 0.835 13 20 [*-**********+*******] 3
8 2 20 SER O 2 24 LYS N . . 2.520 3.360 3.295 3.417 0.897 17 20 [****************+*-*] 3
9 2 22 ILE O 2 26 LEU N . . 2.520 3.016 2.850 3.119 0.599 9 8 "[** . * +1 * . ** -]" 3
10 2 21 HIS O 2 25 HIS N . . 2.520 2.947 2.857 3.022 0.502 11 1 "[ . 1+ . 2]" 3
11 2 24 LYS O 2 28 SER N . . 2.520 3.363 3.243 3.444 0.924 17 20 [******-*********+***] 3
12 2 19 GLU O 2 23 ASN N . . 2.520 3.361 3.124 3.491 0.971 14 20 [-************+******] 3
13 2 23 ASN O 2 27 ASP N . . 2.520 3.176 2.939 3.358 0.838 1 17 "[+**** **** ******* -]" 3
14 2 18 PRO O 2 22 ILE N . . 2.520 2.784 2.710 2.899 0.379 2 0 "[ . 1 . 2]" 3
15 2 10 CYS H 2 15 VAL O . . 1.730 1.971 1.882 2.042 0.312 12 0 "[ . 1 . 2]" 3
16 2 10 CYS N 2 15 VAL O . . 2.520 2.882 2.787 2.940 0.420 6 0 "[ . 1 . 2]" 3
17 2 8 VAL O 2 17 ILE H . . 1.730 1.984 1.932 2.074 0.344 10 0 "[ . 1 . 2]" 3
18 2 8 VAL O 2 17 ILE N . . 2.520 2.912 2.827 3.044 0.524 10 2 "[ . - + . 2]" 3
19 2 8 VAL H 2 17 ILE O . . 1.730 2.039 1.943 2.150 0.420 14 0 "[ . 1 . 2]" 3
20 2 8 VAL N 2 17 ILE O . . 2.520 2.986 2.889 3.111 0.591 14 5 "[ *- * 1 +. *]" 3
21 2 25 HIS O 2 29 CYS H . . 1.730 2.007 1.952 2.099 0.369 10 0 "[ . 1 . 2]" 3
22 2 25 HIS O 2 29 CYS N . . 2.520 2.804 2.670 2.907 0.387 8 0 "[ . 1 . 2]" 3
23 2 26 LEU O 2 30 LEU H . . 1.730 1.935 1.870 2.001 0.271 3 0 "[ . 1 . 2]" 3
24 2 26 LEU O 2 30 LEU N . . 2.520 2.758 2.712 2.857 0.337 19 0 "[ . 1 . 2]" 3
25 1 45 ARG CZ 2 27 ASP CG . . 3.900 4.344 3.907 5.021 1.121 16 10 "[ ***. ** ** * .+ -2]" 3
26 1 4 MET O 1 20 VAL H . . 1.730 2.144 2.033 2.343 0.613 14 5 "[ **. - *+. 2]" 3
27 1 4 MET O 1 20 VAL N . . 2.520 2.873 2.806 2.945 0.425 18 0 "[ . 1 . 2]" 3
28 1 6 ILE H 1 18 LEU O . . 1.730 2.380 2.251 2.504 0.774 5 20 [****+**-************] 3
29 1 6 ILE N 1 18 LEU O . . 2.520 3.274 3.162 3.373 0.853 5 20 [****+**-************] 3
30 1 6 ILE O 1 18 LEU H . . 1.730 2.193 2.091 2.341 0.611 5 5 "[ + - 1* *. *2]" 3
31 1 6 ILE O 1 18 LEU N . . 2.520 3.140 3.044 3.254 0.734 5 20 [****+************-**] 3
32 1 8 VAL H 1 16 ILE O . . 1.730 1.974 1.932 2.047 0.317 8 0 "[ . 1 . 2]" 3
33 1 8 VAL O 1 16 ILE H . . 1.730 1.989 1.897 2.137 0.407 7 0 "[ . 1 . 2]" 3
34 1 8 VAL N 1 16 ILE O . . 2.520 2.934 2.884 3.010 0.490 8 0 "[ . 1 . 2]" 3
35 1 8 VAL O 1 16 ILE N . . 2.520 2.838 2.739 2.992 0.472 12 0 "[ . 1 . 2]" 3
36 1 10 THR H 1 14 LYS O . . 1.730 2.047 1.923 2.206 0.476 19 0 "[ . 1 . 2]" 3
37 1 10 THR N 1 14 LYS O . . 2.520 2.937 2.753 3.116 0.596 19 4 "[ * - 1 * . +2]" 3
38 1 10 THR O 1 13 GLY H . . 1.730 2.262 2.107 2.351 0.621 14 13 "[ **-* **** *+.* **2]" 3
39 1 10 THR O 1 13 GLY N . . 2.520 3.089 3.019 3.169 0.649 8 19 "[* *****+**********-*]" 3
40 1 47 ILE O 1 71 HIS H . . 1.730 2.059 1.958 2.270 0.540 6 2 "[ .+ 1 -. 2]" 3
41 1 47 ILE H 1 71 HIS O . . 1.730 2.233 2.132 2.341 0.611 19 9 "[ * . * *** *-* +2]" 3
42 1 47 ILE O 1 71 HIS N . . 2.520 2.880 2.788 3.053 0.533 6 1 "[ .+ 1 . 2]" 3
43 1 47 ILE N 1 71 HIS O . . 2.520 3.154 2.991 3.284 0.764 19 19 [*-****************+2] 3
44 1 45 ARG H 1 73 VAL O . . 1.730 2.148 1.962 2.376 0.646 10 5 "[ .- + * . * *]" 3
45 1 45 ARG N 1 73 VAL O . . 2.520 2.866 2.802 2.915 0.395 2 0 "[ . 1 . 2]" 3
46 1 45 ARG O 1 73 VAL H . . 1.730 2.041 1.937 2.172 0.442 8 0 "[ . 1 . 2]" 3
47 1 45 ARG O 1 73 VAL N . . 2.520 2.988 2.904 3.073 0.553 8 7 "[ - . + ** *.* *2]" 3
48 1 43 GLN O 1 75 ARG H . . 1.730 2.125 1.841 2.335 0.605 3 4 "[ + . 1 .- * *]" 3
49 1 43 GLN O 1 75 ARG N . . 2.520 2.785 2.697 2.930 0.410 3 0 "[ . 1 . 2]" 3
50 1 33 ILE O 1 37 GLU H . . 1.730 2.099 2.042 2.187 0.457 14 0 "[ . 1 . 2]" 3
51 1 32 LYS O 1 36 LYS H . . 1.730 2.246 2.077 2.406 0.676 11 13 "[* * ** ***+ *- ***]" 3
52 1 31 ALA O 1 35 ASP H . . 1.730 2.323 2.226 2.379 0.649 3 19 "[**+** ********-*****]" 3
53 1 30 LYS O 1 34 GLN H . . 1.730 2.344 2.257 2.429 0.699 6 20 [*****+*******-******] 3
54 1 29 VAL O 1 33 ILE H . . 1.730 2.218 2.098 2.328 0.598 15 9 "[** . - *1 **+* * 2]" 3
55 1 28 ASN O 1 32 LYS H . . 1.730 2.163 2.040 2.330 0.600 19 6 "[- . 1 ** .* *+2]" 3
56 1 27 GLU O 1 31 ALA H . . 1.730 2.409 2.338 2.442 0.712 1 20 [+*******-***********] 3
57 1 26 ILE O 1 30 LYS H . . 1.730 2.049 1.974 2.151 0.421 4 0 "[ . 1 . 2]" 3
58 1 25 THR O 1 29 VAL H . . 1.730 2.252 2.096 2.405 0.675 3 11 "[* +*.** * * *-** 2]" 3
59 1 29 VAL O 1 33 ILE N . . 2.520 3.079 2.952 3.190 0.670 14 16 "[** . ***-***+******]" 3
60 1 32 LYS O 1 36 LYS N . . 2.520 2.911 2.804 3.028 0.508 11 1 "[ . 1+ . 2]" 3
61 1 25 THR O 1 29 VAL N . . 2.520 3.179 3.035 3.329 0.809 3 20 [*-+*****************] 3
62 1 27 GLU O 1 31 ALA N . . 2.520 3.307 3.189 3.365 0.845 18 20 [********-********+**] 3
63 1 26 ILE O 1 30 LYS N . . 2.520 2.986 2.900 3.103 0.583 4 5 "[ *+*- * . 2]" 3
64 1 30 LYS O 1 34 GLN N . . 2.520 3.289 3.206 3.377 0.857 6 20 [*****+*******-******] 3
65 1 31 ALA O 1 35 ASP N . . 2.520 3.076 2.973 3.226 0.706 3 14 "[*-+** ****** .* **2]" 3
66 1 28 ASN O 1 32 LYS N . . 2.520 2.964 2.795 3.175 0.655 19 6 "[- . 1 ** .* *+2]" 3
67 1 33 ILE O 1 37 GLU N . . 2.520 2.926 2.859 2.972 0.452 14 0 "[ . 1 . 2]" 3
68 1 7 PHE H 1 68 SER O . . 1.730 2.207 2.062 2.317 0.587 18 10 "[ * ***1*-* . +**]" 3
69 1 7 PHE N 1 68 SER O . . 2.520 3.141 2.979 3.242 0.722 18 19 "[ ********-*******+**]" 3
70 1 7 PHE O 1 70 LEU H . . 1.730 2.132 1.968 2.338 0.608 19 4 "[ . -1 * . +*]" 3
71 1 7 PHE O 1 70 LEU N . . 2.520 3.052 2.922 3.188 0.668 20 12 "[ -**.* **** * . **+]" 3
72 1 9 LYS H 1 70 LEU O . . 1.730 1.944 1.906 2.000 0.270 19 0 "[ . 1 . 2]" 3
73 1 9 LYS N 1 70 LEU O . . 2.520 2.886 2.804 2.956 0.436 14 0 "[ . 1 . 2]" 3
74 1 9 LYS O 1 72 LEU H . . 1.730 2.082 1.949 2.174 0.444 3 0 "[ . 1 . 2]" 3
75 1 9 LYS O 1 72 LEU N . . 2.520 2.840 2.771 2.941 0.421 2 0 "[ . 1 . 2]" 3
76 1 48 PHE O 1 51 LYS H . . 1.730 2.243 2.082 2.360 0.630 13 12 "[ -**** **1 *+ .*** 2]" 3
77 1 48 PHE H 1 51 LYS O . . 1.730 2.156 2.049 2.261 0.531 4 2 "[ +. 1 - . 2]" 3
78 1 48 PHE O 1 51 LYS N . . 2.520 3.173 3.006 3.318 0.798 13 19 "[ ***********+*-*****]" 3
79 1 48 PHE N 1 51 LYS O . . 2.520 3.036 2.919 3.142 0.622 13 11 "[ -**.* * * *+ .* * *]" 3
80 1 54 GLU O 1 57 ARG H . . 1.730 2.347 2.270 2.408 0.678 8 20 [*******+****-*******] 3
81 1 54 GLU O 1 57 ARG N . . 2.520 3.143 3.109 3.186 0.666 14 20 [*************+*-****] 3
82 1 65 GLN O 1 68 SER H . . 1.730 2.404 2.377 2.433 0.703 14 20 [*************+**-***] 3
83 1 46 LEU O 1 53 LEU H . . 1.730 1.945 1.860 2.004 0.274 19 0 "[ . 1 . 2]" 3
84 1 5 GLN O 1 67 GLU H . . 1.730 1.943 1.881 2.027 0.297 2 0 "[ . 1 . 2]" 3
85 1 5 GLN O 1 67 GLU N . . 2.520 2.780 2.680 2.868 0.348 15 0 "[ . 1 . 2]" 3
86 1 46 LEU O 1 53 LEU N . . 2.520 2.903 2.835 2.944 0.424 11 0 "[ . 1 . 2]" 3
87 1 4 MET H 1 20 VAL O . . 1.730 2.165 2.002 2.333 0.603 5 5 "[ * + 1 **- 2]" 3
88 1 4 MET N 1 20 VAL O . . 2.520 2.895 2.798 2.968 0.448 8 0 "[ . 1 . 2]" 3
89 1 21 GLU O 1 24 ASP H . . 1.730 2.329 2.214 2.401 0.671 11 19 "[**********+ ***-****]" 3
90 1 21 GLU O 1 24 ASP N . . 2.520 3.231 3.113 3.313 0.793 11 20 [**********+******-**] 3
91 1 58 THR O 1 61 ASP H . . 1.730 2.518 2.481 2.555 0.825 1 20 [+************-******] 3
92 1 58 THR O 1 61 ASP N . . 2.520 3.259 3.216 3.304 0.784 19 20 [*****************-+*] 3
93 1 59 LEU O 1 62 TYR H . . 1.730 2.270 2.174 2.323 0.593 4 18 "[***+*** *-******** *]" 3
94 1 59 LEU O 1 62 TYR N . . 2.520 2.970 2.918 3.008 0.488 1 0 "[ . 1 . 2]" 3
95 1 60 SER O 1 63 ASN H . . 1.730 2.332 2.249 2.408 0.678 1 20 [+****************-**] 3
96 1 60 SER O 1 63 ASN N . . 2.520 3.210 3.086 3.319 0.799 1 20 [+****************-**] 3
97 1 26 ILE H 1 57 ARG O . . 1.730 1.963 1.926 2.021 0.291 5 0 "[ . 1 . 2]" 3
98 1 26 ILE N 1 57 ARG O . . 2.520 2.927 2.887 2.993 0.473 5 0 "[ . 1 . 2]" 3
99 1 27 GLU H 1 55 ASP O . . 1.730 2.307 2.183 2.417 0.687 13 17 "[** **** ***-+ ******]" 3
100 1 27 GLU N 1 55 ASP O . . 2.520 3.159 2.967 3.321 0.801 5 19 "[****+** ***-********]" 3
101 1 54 GLU N 1 62 TYR HH . . 1.730 2.454 2.330 2.712 0.982 15 20 [************-*+*****] 3
102 1 54 GLU N 1 62 TYR OH . . 2.520 3.147 2.950 3.498 0.978 19 17 "[***** * **-** ****+*]" 3
103 1 40 PRO O 1 43 GLN H . . 1.730 2.080 1.973 2.248 0.518 6 1 "[ .+ 1 . 2]" 3
104 1 40 PRO O 1 43 GLN N . . 2.520 2.875 2.830 2.944 0.424 6 0 "[ . 1 . 2]" 3
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