NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
644779 |
6tob   |
34463 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6tob
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 1627
_Distance_constraint_stats_list.Viol_count 2191
_Distance_constraint_stats_list.Viol_total 3507.888
_Distance_constraint_stats_list.Viol_max 0.999
_Distance_constraint_stats_list.Viol_rms 0.0415
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0801
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.792 0.792 8 1 "[ . + 1 . 2]"
1 4 MET 0.830 0.792 8 1 "[ . + 1 . 2]"
1 5 VAL 0.038 0.019 14 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.783 0.089 16 0 "[ . 1 . 2]"
1 8 PRO 0.783 0.089 16 0 "[ . 1 . 2]"
1 9 GLN 1.307 0.343 19 0 "[ . 1 . 2]"
1 10 LEU 2.467 0.343 19 0 "[ . 1 . 2]"
1 11 THR 0.821 0.075 7 0 "[ . 1 . 2]"
1 12 ASP 4.896 0.302 15 0 "[ . 1 . 2]"
1 13 GLU 5.963 0.785 8 6 "[ * . *+-1 . * *2]"
1 14 GLN 8.270 0.785 8 6 "[ * . *+-1 . * *2]"
1 15 ARG 8.044 0.355 17 0 "[ . 1 . 2]"
1 16 ALA 5.406 0.194 16 0 "[ . 1 . 2]"
1 17 ALA 2.104 0.221 3 0 "[ . 1 . 2]"
1 18 ALA 3.545 0.306 16 0 "[ . 1 . 2]"
1 19 LEU 3.728 0.791 16 1 "[ . 1 .+ 2]"
1 20 GLU 3.748 0.791 16 2 "[ . 1 -.+ 2]"
1 21 LYS 5.444 0.754 14 1 "[ . 1 +. 2]"
1 22 ALA 1.415 0.516 14 1 "[ . 1 +. 2]"
1 23 ALA 1.240 0.156 10 0 "[ . 1 . 2]"
1 24 ALA 0.321 0.037 7 0 "[ . 1 . 2]"
1 25 ALA 1.298 0.680 18 1 "[ . 1 . + 2]"
1 26 ARG 2.122 0.680 18 1 "[ . 1 . + 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.019 0.019 3 0 "[ . 1 . 2]"
1 31 GLU 0.648 0.354 15 0 "[ . 1 . 2]"
1 32 LEU 2.039 0.192 9 0 "[ . 1 . 2]"
1 33 LYS 1.158 0.074 13 0 "[ . 1 . 2]"
1 34 ASP 0.059 0.034 5 0 "[ . 1 . 2]"
1 35 ARG 5.580 0.864 2 5 "[ + . * *1 . - *]"
1 36 LEU 2.330 0.112 17 0 "[ . 1 . 2]"
1 37 LYS 4.316 0.864 2 4 "[ + . - *1 . *]"
1 38 ARG 5.720 0.999 17 1 "[ . 1 . + 2]"
1 39 GLY 3.373 0.397 15 0 "[ . 1 . 2]"
1 40 GLY 0.001 0.001 15 0 "[ . 1 . 2]"
1 41 THR 5.923 0.999 17 1 "[ . 1 . + 2]"
1 42 ASN 1.739 0.304 9 0 "[ . 1 . 2]"
1 43 LEU 0.065 0.039 12 0 "[ . 1 . 2]"
1 44 THR 5.657 0.572 18 1 "[ . 1 . + 2]"
1 45 GLN 0.649 0.109 19 0 "[ . 1 . 2]"
1 46 VAL 4.054 0.377 17 0 "[ . 1 . 2]"
1 47 LEU 7.773 0.572 18 1 "[ . 1 . + 2]"
1 48 LYS 3.151 0.269 13 0 "[ . 1 . 2]"
1 49 ASP 1.384 0.166 20 0 "[ . 1 . 2]"
1 50 ALA 1.256 0.144 13 0 "[ . 1 . 2]"
1 51 GLU 0.515 0.089 20 0 "[ . 1 . 2]"
1 52 SER 0.515 0.089 20 0 "[ . 1 . 2]"
1 53 ASP 1.619 0.516 5 1 "[ + 1 . 2]"
1 54 GLU 4.495 0.516 5 1 "[ + 1 . 2]"
1 55 VAL 2.542 0.610 4 1 "[ +. 1 . 2]"
1 56 LEU 0.356 0.075 18 0 "[ . 1 . 2]"
1 57 GLY 4.387 0.935 17 3 "[ . 1-* . + 2]"
1 58 LYS 4.347 0.895 12 2 "[ -. 1 + . 2]"
1 59 MET 8.009 0.750 11 8 "[ ** * 1+ * * -*2]"
1 60 LYS 3.116 0.229 9 0 "[ . 1 . 2]"
1 61 VAL 3.183 0.561 15 2 "[ . 1 - + 2]"
1 62 SER 6.646 0.561 15 2 "[ . 1 - + 2]"
1 63 ALA 0.624 0.134 12 0 "[ . 1 . 2]"
1 64 LEU 1.590 0.192 9 0 "[ . 1 . 2]"
1 65 LEU 7.586 0.792 19 7 "[ *** -1* . *+2]"
1 66 GLU 1.738 0.275 12 0 "[ . 1 . 2]"
1 67 ALA 0.235 0.087 20 0 "[ . 1 . 2]"
1 68 LEU 2.998 0.398 12 0 "[ . 1 . 2]"
1 69 PRO 1.179 0.570 19 1 "[ . 1 . +2]"
1 70 LYS 1.147 0.570 19 1 "[ . 1 . +2]"
1 71 VAL 4.022 0.398 12 0 "[ . 1 . 2]"
1 72 GLY 8.528 0.509 5 2 "[ + - 1 . 2]"
1 73 LYS 11.955 0.733 18 3 "[ . - 1 .* + 2]"
1 74 VAL 4.107 0.300 19 0 "[ . 1 . 2]"
1 75 LYS 2.449 0.509 5 1 "[ + 1 . 2]"
1 76 ALA 2.340 0.401 12 0 "[ . 1 . 2]"
1 77 GLN 3.768 0.649 1 2 "[+ . 1 . -]"
1 78 GLU 5.120 0.649 1 2 "[+ . 1 . -]"
1 79 ILE 2.023 0.081 19 0 "[ . 1 . 2]"
1 80 MET 2.416 0.291 7 0 "[ . 1 . 2]"
1 81 THR 2.780 0.291 7 0 "[ . 1 . 2]"
1 82 GLU 1.745 0.111 10 0 "[ . 1 . 2]"
1 83 LEU 4.311 0.825 6 1 "[ .+ 1 . 2]"
1 84 GLU 2.464 0.487 18 0 "[ . 1 . 2]"
1 85 ILE 7.475 0.909 11 4 "[ . 1+ .* **2]"
1 86 ALA 0.436 0.083 20 0 "[ . 1 . 2]"
1 87 PRO 0.901 0.161 5 0 "[ . 1 . 2]"
1 88 THR 0.612 0.161 5 0 "[ . 1 . 2]"
1 89 ARG 1.664 0.097 20 0 "[ . 1 . 2]"
1 90 ARG 1.975 0.575 9 1 "[ . +1 . 2]"
1 91 LEU 7.758 0.750 11 8 "[ ** * 1+ * * -*2]"
1 92 ARG 4.358 0.935 17 2 "[ . 1- . + 2]"
1 93 GLY 0.172 0.050 8 0 "[ . 1 . 2]"
1 94 LEU 1.419 0.575 9 1 "[ . +1 . 2]"
1 95 GLY 0.029 0.029 8 0 "[ . 1 . 2]"
1 97 ARG 4.711 0.833 12 4 "[ . *- 1 + *. 2]"
1 98 GLN 22.730 0.991 14 12 "[ **.** 1-**+.* ***]"
1 99 ARG 10.133 0.875 12 8 "[ *-. ** 1 +**. *]"
1 100 LYS 0.298 0.104 5 0 "[ . 1 . 2]"
1 101 ALA 0.936 0.187 4 0 "[ . 1 . 2]"
1 102 LEU 1.635 0.991 14 1 "[ . 1 +. 2]"
1 103 LEU 0.841 0.098 2 0 "[ . 1 . 2]"
1 104 GLU 2.113 0.144 12 0 "[ . 1 . 2]"
1 105 LYS 3.793 0.840 12 1 "[ . 1 + . 2]"
1 106 PHE 2.855 0.840 12 1 "[ . 1 + . 2]"
1 107 GLY 0.998 0.081 8 0 "[ . 1 . 2]"
1 108 SER 2.112 0.527 4 1 "[ +. 1 . 2]"
1 109 ALA 1.782 0.527 4 1 "[ +. 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HB3 1 4 MET H . . 5.070 2.774 1.962 4.340 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS HB3 1 4 MET HA . . 5.070 4.609 4.132 5.862 0.792 8 1 "[ . + 1 . 2]" 1
3 1 4 MET HA 1 5 VAL H . . 3.070 2.273 2.147 2.540 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET HA 1 5 VAL HA . . 5.080 4.421 4.327 4.479 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET HA 1 5 VAL HB . . 4.550 4.504 4.396 4.569 0.019 14 0 "[ . 1 . 2]" 1
6 1 4 MET HA 1 5 VAL QG . . 4.480 3.634 3.295 3.978 . 0 0 "[ . 1 . 2]" 1
7 1 4 MET HB3 1 5 VAL H . . 5.160 3.090 2.255 3.912 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL H 1 5 VAL HB . . 3.540 3.094 2.568 3.386 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL H 1 5 VAL QG . . 4.030 2.230 1.929 2.925 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL HA 1 6 ALA H . . 3.090 2.221 2.156 2.268 . 0 0 "[ . 1 . 2]" 1
11 1 5 VAL HA 1 6 ALA MB . . 5.470 3.886 3.802 4.034 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL HB 1 6 ALA H . . 4.500 4.007 3.859 4.188 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL QG 1 6 ALA H . . 4.540 2.267 2.103 2.577 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL QG 1 6 ALA HA . . 4.860 3.386 3.093 3.877 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL QG 1 6 ALA MB . . 4.240 3.633 3.192 3.813 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL QG 1 7 LEU H . . 4.110 3.555 2.697 3.960 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL QG 1 7 LEU HA . . 4.490 4.228 3.666 4.452 . 0 0 "[ . 1 . 2]" 1
18 1 6 ALA H 1 6 ALA MB . . 3.670 2.434 2.066 2.659 . 0 0 "[ . 1 . 2]" 1
19 1 6 ALA HA 1 7 LEU H . . 2.610 2.205 2.142 2.332 . 0 0 "[ . 1 . 2]" 1
20 1 6 ALA MB 1 7 LEU H . . 3.990 3.321 2.978 3.648 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU H 1 7 LEU QD . . 4.410 3.573 1.824 3.895 . 0 0 "[ . 1 . 2]" 1
22 1 7 LEU H 1 8 PRO QD . . 4.300 3.899 3.431 4.250 . 0 0 "[ . 1 . 2]" 1
23 1 7 LEU HA 1 7 LEU QD . . 3.480 2.425 1.910 3.369 . 0 0 "[ . 1 . 2]" 1
24 1 7 LEU HA 1 8 PRO QD . . 2.850 1.903 1.851 1.997 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU HA 1 8 PRO HG2 . . 4.610 4.192 4.113 4.374 . 0 0 "[ . 1 . 2]" 1
26 1 7 LEU HA 1 8 PRO HG3 . . 4.360 4.399 4.355 4.449 0.089 16 0 "[ . 1 . 2]" 1
27 1 7 LEU QD 1 8 PRO HA . . 5.500 4.605 3.936 5.214 . 0 0 "[ . 1 . 2]" 1
28 1 7 LEU QD 1 8 PRO QD . . 4.110 2.710 1.926 3.969 . 0 0 "[ . 1 . 2]" 1
29 1 7 LEU HG 1 8 PRO QD . . 5.500 3.941 1.955 4.890 . 0 0 "[ . 1 . 2]" 1
30 1 8 PRO HA 1 9 GLN H . . 3.070 2.411 2.154 2.431 . 0 0 "[ . 1 . 2]" 1
31 1 8 PRO HB2 1 9 GLN H . . 4.490 2.603 2.538 3.559 . 0 0 "[ . 1 . 2]" 1
32 1 8 PRO HB3 1 9 GLN H . . 4.430 3.453 3.416 4.019 . 0 0 "[ . 1 . 2]" 1
33 1 8 PRO QD 1 9 GLN H . . 5.500 4.940 4.934 4.965 . 0 0 "[ . 1 . 2]" 1
34 1 8 PRO HG2 1 9 GLN H . . 5.500 4.406 4.365 4.969 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLN H 1 9 GLN HB2 . . 3.990 2.719 2.222 3.766 . 0 0 "[ . 1 . 2]" 1
36 1 9 GLN H 1 9 GLN HB3 . . 3.570 2.682 2.345 3.019 . 0 0 "[ . 1 . 2]" 1
37 1 9 GLN H 1 9 GLN QG . . 4.680 3.573 2.314 4.061 . 0 0 "[ . 1 . 2]" 1
38 1 9 GLN H 1 10 LEU H . . 5.330 4.610 4.499 4.647 . 0 0 "[ . 1 . 2]" 1
39 1 9 GLN HA 1 9 GLN QG . . 3.590 2.855 2.268 3.456 . 0 0 "[ . 1 . 2]" 1
40 1 9 GLN HA 1 10 LEU H . . 2.910 2.299 2.147 2.416 . 0 0 "[ . 1 . 2]" 1
41 1 9 GLN HA 1 10 LEU HA . . 5.120 4.344 4.290 4.432 . 0 0 "[ . 1 . 2]" 1
42 1 9 GLN HA 1 10 LEU QB . . 4.600 4.157 3.893 4.443 . 0 0 "[ . 1 . 2]" 1
43 1 9 GLN HA 1 10 LEU QD . . 4.560 3.726 3.310 4.202 . 0 0 "[ . 1 . 2]" 1
44 1 9 GLN HB2 1 9 GLN HE22 . . 5.500 4.225 3.296 5.167 . 0 0 "[ . 1 . 2]" 1
45 1 9 GLN HB2 1 10 LEU H . . 4.030 3.674 2.427 4.373 0.343 19 0 "[ . 1 . 2]" 1
46 1 9 GLN HB2 1 10 LEU QD . . 5.500 4.962 2.702 5.580 0.080 1 0 "[ . 1 . 2]" 1
47 1 9 GLN HB3 1 9 GLN HE22 . . 5.360 4.754 3.550 5.346 . 0 0 "[ . 1 . 2]" 1
48 1 9 GLN HB3 1 10 LEU H . . 4.340 3.763 3.370 4.247 . 0 0 "[ . 1 . 2]" 1
49 1 9 GLN QG 1 10 LEU H . . 4.570 2.689 1.892 4.281 . 0 0 "[ . 1 . 2]" 1
50 1 9 GLN QG 1 10 LEU HA . . 4.380 4.200 4.021 4.293 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU H 1 10 LEU QB . . 3.110 2.268 2.040 2.545 . 0 0 "[ . 1 . 2]" 1
52 1 10 LEU H 1 10 LEU QD . . 4.010 2.739 1.953 3.571 . 0 0 "[ . 1 . 2]" 1
53 1 10 LEU H 1 11 THR H . . 5.240 4.532 4.430 4.645 . 0 0 "[ . 1 . 2]" 1
54 1 10 LEU H 1 11 THR MG . . 5.500 5.308 4.535 5.575 0.075 7 0 "[ . 1 . 2]" 1
55 1 10 LEU HA 1 10 LEU QD . . 3.170 2.296 1.923 3.286 0.116 16 0 "[ . 1 . 2]" 1
56 1 10 LEU HA 1 11 THR H . . 3.170 2.332 2.140 2.509 . 0 0 "[ . 1 . 2]" 1
57 1 10 LEU HA 1 11 THR HA . . 4.350 4.355 4.296 4.413 0.063 2 0 "[ . 1 . 2]" 1
58 1 10 LEU HA 1 11 THR MG . . 4.100 3.643 3.381 4.168 0.068 19 0 "[ . 1 . 2]" 1
59 1 10 LEU QB 1 11 THR H . . 3.910 2.833 2.375 3.381 . 0 0 "[ . 1 . 2]" 1
60 1 10 LEU QB 1 11 THR HA . . 5.200 4.337 4.100 4.608 . 0 0 "[ . 1 . 2]" 1
61 1 10 LEU QD 1 11 THR H . . 4.180 2.942 1.894 3.973 . 0 0 "[ . 1 . 2]" 1
62 1 10 LEU HG 1 11 THR H . . 4.620 3.754 2.358 4.637 0.017 17 0 "[ . 1 . 2]" 1
63 1 11 THR H 1 11 THR MG . . 3.390 2.244 1.915 2.774 . 0 0 "[ . 1 . 2]" 1
64 1 11 THR HA 1 11 THR MG . . 3.320 2.755 2.348 3.206 . 0 0 "[ . 1 . 2]" 1
65 1 12 ASP H 1 13 GLU H . . 5.500 2.601 2.377 2.709 . 0 0 "[ . 1 . 2]" 1
66 1 12 ASP H 1 13 GLU HA . . 5.500 5.086 4.850 5.183 . 0 0 "[ . 1 . 2]" 1
67 1 12 ASP H 1 13 GLU HB2 . . 5.500 4.694 4.383 4.830 . 0 0 "[ . 1 . 2]" 1
68 1 12 ASP H 1 14 GLN H . . 5.500 4.396 4.249 4.498 . 0 0 "[ . 1 . 2]" 1
69 1 12 ASP H 1 15 ARG H . . 5.500 5.368 5.307 5.538 0.038 15 0 "[ . 1 . 2]" 1
70 1 12 ASP H 1 15 ARG QG . . 5.500 4.600 4.531 5.536 0.036 15 0 "[ . 1 . 2]" 1
71 1 12 ASP HA 1 14 GLN H . . 5.500 3.381 3.293 3.420 . 0 0 "[ . 1 . 2]" 1
72 1 12 ASP HA 1 15 ARG H . . 4.330 3.098 3.000 3.188 . 0 0 "[ . 1 . 2]" 1
73 1 12 ASP HA 1 15 ARG HB2 . . 3.700 3.803 3.747 4.002 0.302 15 0 "[ . 1 . 2]" 1
74 1 12 ASP HA 1 15 ARG QD . . 4.620 3.504 1.852 3.815 . 0 0 "[ . 1 . 2]" 1
75 1 12 ASP HA 1 15 ARG QG . . 4.910 1.992 1.913 2.978 . 0 0 "[ . 1 . 2]" 1
76 1 12 ASP HA 1 16 ALA H . . 5.180 5.319 5.227 5.374 0.194 16 0 "[ . 1 . 2]" 1
77 1 12 ASP QB 1 13 GLU H . . 4.260 3.211 3.076 3.702 . 0 0 "[ . 1 . 2]" 1
78 1 12 ASP QB 1 15 ARG H . . 5.500 4.144 3.881 4.264 . 0 0 "[ . 1 . 2]" 1
79 1 12 ASP QB 1 15 ARG HB2 . . 4.580 3.587 3.051 3.753 . 0 0 "[ . 1 . 2]" 1
80 1 12 ASP QB 1 15 ARG QG . . 5.250 3.191 2.693 3.852 . 0 0 "[ . 1 . 2]" 1
81 1 12 ASP QB 1 16 ALA H . . 5.500 5.223 4.885 5.320 . 0 0 "[ . 1 . 2]" 1
82 1 13 GLU H 1 13 GLU HB2 . . 3.830 2.381 2.300 2.570 . 0 0 "[ . 1 . 2]" 1
83 1 13 GLU H 1 13 GLU HB3 . . 3.940 2.678 2.485 2.771 . 0 0 "[ . 1 . 2]" 1
84 1 13 GLU H 1 14 GLN H . . 4.230 2.714 2.681 2.772 . 0 0 "[ . 1 . 2]" 1
85 1 13 GLU H 1 14 GLN HB3 . . 5.500 5.323 4.921 6.285 0.785 8 5 "[ - . *+ 1 . * *2]" 1
86 1 13 GLU H 1 14 GLN HG3 . . 5.500 4.457 3.717 6.111 0.611 9 1 "[ . +1 . 2]" 1
87 1 13 GLU H 1 15 ARG H . . 5.500 4.279 4.206 4.472 . 0 0 "[ . 1 . 2]" 1
88 1 13 GLU H 1 16 ALA H . . 5.500 5.465 5.337 5.506 0.006 16 0 "[ . 1 . 2]" 1
89 1 13 GLU H 1 16 ALA MB . . 5.500 5.520 5.316 5.563 0.063 5 0 "[ . 1 . 2]" 1
90 1 13 GLU HA 1 13 GLU QG . . 3.170 2.518 2.312 2.984 . 0 0 "[ . 1 . 2]" 1
91 1 13 GLU HA 1 15 ARG H . . 5.190 4.179 4.025 4.382 . 0 0 "[ . 1 . 2]" 1
92 1 13 GLU HA 1 16 ALA MB . . 3.290 3.316 3.079 3.380 0.090 19 0 "[ . 1 . 2]" 1
93 1 13 GLU HB2 1 14 GLN H . . 4.070 4.060 3.988 4.182 0.112 19 0 "[ . 1 . 2]" 1
94 1 13 GLU HB3 1 14 GLN H . . 4.450 3.103 3.030 3.147 . 0 0 "[ . 1 . 2]" 1
95 1 13 GLU QG 1 14 GLN H . . 4.500 4.149 3.819 4.278 . 0 0 "[ . 1 . 2]" 1
96 1 13 GLU QG 1 16 ALA H . . 5.500 4.742 4.575 4.953 . 0 0 "[ . 1 . 2]" 1
97 1 13 GLU QG 1 16 ALA MB . . 4.380 3.555 3.261 3.855 . 0 0 "[ . 1 . 2]" 1
98 1 14 GLN H 1 14 GLN HB2 . . 3.670 3.431 2.860 3.625 . 0 0 "[ . 1 . 2]" 1
99 1 14 GLN H 1 14 GLN HE21 . . 4.690 4.359 4.043 4.863 0.173 9 0 "[ . 1 . 2]" 1
100 1 14 GLN H 1 14 GLN HG2 . . 4.510 2.744 2.199 2.863 . 0 0 "[ . 1 . 2]" 1
101 1 14 GLN H 1 14 GLN HG3 . . 3.740 2.278 1.914 3.665 . 0 0 "[ . 1 . 2]" 1
102 1 14 GLN H 1 15 ARG H . . 3.550 2.385 2.359 2.479 . 0 0 "[ . 1 . 2]" 1
103 1 14 GLN H 1 15 ARG QD . . 4.270 4.181 4.134 4.241 . 0 0 "[ . 1 . 2]" 1
104 1 14 GLN H 1 15 ARG QG . . 3.580 3.583 3.554 3.833 0.253 15 0 "[ . 1 . 2]" 1
105 1 14 GLN H 1 16 ALA H . . 4.950 3.940 3.846 3.985 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLN HA 1 14 GLN HE21 . . 5.050 3.992 3.561 5.067 0.017 19 0 "[ . 1 . 2]" 1
107 1 14 GLN HA 1 14 GLN HG3 . . 3.730 3.579 3.524 3.855 0.125 9 0 "[ . 1 . 2]" 1
108 1 14 GLN HA 1 15 ARG QG . . 5.500 5.208 4.962 5.268 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLN HB2 1 14 GLN HE21 . . 3.900 2.161 1.998 2.587 . 0 0 "[ . 1 . 2]" 1
110 1 14 GLN HB2 1 15 ARG H . . 4.020 3.653 2.764 4.037 0.017 5 0 "[ . 1 . 2]" 1
111 1 14 GLN HB2 1 15 ARG QD . . 5.500 3.763 2.769 5.801 0.301 15 0 "[ . 1 . 2]" 1
112 1 14 GLN HB2 1 16 ALA H . . 5.500 4.998 4.669 5.194 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLN HB2 1 17 ALA H . . 5.350 5.342 5.131 5.571 0.221 3 0 "[ . 1 . 2]" 1
114 1 14 GLN HB3 1 15 ARG H . . 4.640 4.035 3.909 4.080 . 0 0 "[ . 1 . 2]" 1
115 1 14 GLN HE21 1 15 ARG QD . . 4.300 3.025 2.540 4.273 . 0 0 "[ . 1 . 2]" 1
116 1 14 GLN HG3 1 15 ARG H . . 4.630 2.466 1.915 3.615 . 0 0 "[ . 1 . 2]" 1
117 1 14 GLN HG3 1 15 ARG HA . . 5.470 4.191 3.457 5.825 0.355 17 0 "[ . 1 . 2]" 1
118 1 14 GLN HG3 1 15 ARG QD . . 5.090 2.767 1.925 4.376 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLN HG3 1 16 ALA H . . 5.500 4.716 4.323 5.596 0.096 7 0 "[ . 1 . 2]" 1
120 1 15 ARG H 1 15 ARG HB2 . . 3.140 2.681 2.642 2.717 . 0 0 "[ . 1 . 2]" 1
121 1 15 ARG H 1 15 ARG QD . . 4.570 2.651 2.507 2.936 . 0 0 "[ . 1 . 2]" 1
122 1 15 ARG H 1 15 ARG QG . . 4.110 1.995 1.931 2.059 . 0 0 "[ . 1 . 2]" 1
123 1 15 ARG H 1 16 ALA H . . 3.470 2.627 2.564 2.713 . 0 0 "[ . 1 . 2]" 1
124 1 15 ARG H 1 16 ALA MB . . 4.750 4.229 4.157 4.317 . 0 0 "[ . 1 . 2]" 1
125 1 15 ARG H 1 17 ALA H . . 4.640 4.536 4.404 4.778 0.138 8 0 "[ . 1 . 2]" 1
126 1 15 ARG H 1 18 ALA H . . 5.370 5.426 5.326 5.548 0.178 19 0 "[ . 1 . 2]" 1
127 1 15 ARG H 1 18 ALA MB . . 5.180 5.267 5.176 5.405 0.225 19 0 "[ . 1 . 2]" 1
128 1 15 ARG HA 1 15 ARG QD . . 4.030 2.353 2.153 4.124 0.094 15 0 "[ . 1 . 2]" 1
129 1 15 ARG HA 1 15 ARG QG . . 3.410 3.121 2.598 3.161 . 0 0 "[ . 1 . 2]" 1
130 1 15 ARG HA 1 18 ALA H . . 4.030 3.142 2.949 3.529 . 0 0 "[ . 1 . 2]" 1
131 1 15 ARG HA 1 18 ALA MB . . 3.260 2.974 2.847 3.196 . 0 0 "[ . 1 . 2]" 1
132 1 15 ARG HB2 1 16 ALA H . . 3.360 3.222 3.137 3.265 . 0 0 "[ . 1 . 2]" 1
133 1 15 ARG QD 1 16 ALA H . . 4.740 4.553 4.485 4.621 . 0 0 "[ . 1 . 2]" 1
134 1 15 ARG QG 1 16 ALA H . . 5.500 4.102 4.067 4.122 . 0 0 "[ . 1 . 2]" 1
135 1 16 ALA H 1 16 ALA MB . . 2.990 2.110 2.086 2.235 . 0 0 "[ . 1 . 2]" 1
136 1 16 ALA H 1 17 ALA H . . 3.370 2.776 2.692 2.899 . 0 0 "[ . 1 . 2]" 1
137 1 16 ALA H 1 19 LEU QD . . 5.490 4.031 3.786 4.444 . 0 0 "[ . 1 . 2]" 1
138 1 16 ALA HA 1 17 ALA H . . 3.420 3.464 3.422 3.551 0.131 8 0 "[ . 1 . 2]" 1
139 1 16 ALA HA 1 19 LEU QD . . 3.140 1.945 1.877 2.486 . 0 0 "[ . 1 . 2]" 1
140 1 16 ALA HA 1 19 LEU HG . . 4.650 3.547 3.366 4.702 0.052 16 0 "[ . 1 . 2]" 1
141 1 16 ALA MB 1 17 ALA H . . 3.270 2.848 2.479 3.017 . 0 0 "[ . 1 . 2]" 1
142 1 16 ALA MB 1 17 ALA HA . . 4.050 3.837 3.691 3.911 . 0 0 "[ . 1 . 2]" 1
143 1 17 ALA H 1 19 LEU QD . . 5.500 3.830 3.493 4.451 . 0 0 "[ . 1 . 2]" 1
144 1 17 ALA HA 1 18 ALA H . . 3.570 3.514 3.394 3.552 . 0 0 "[ . 1 . 2]" 1
145 1 17 ALA HA 1 18 ALA MB . . 5.150 4.992 4.907 5.019 . 0 0 "[ . 1 . 2]" 1
146 1 17 ALA HA 1 20 GLU HB2 . . 3.280 2.092 1.957 2.624 . 0 0 "[ . 1 . 2]" 1
147 1 17 ALA HA 1 20 GLU HB3 . . 3.460 2.613 1.945 3.055 . 0 0 "[ . 1 . 2]" 1
148 1 17 ALA MB 1 18 ALA H . . 4.840 2.666 2.467 3.058 . 0 0 "[ . 1 . 2]" 1
149 1 17 ALA MB 1 18 ALA MB . . 4.120 3.890 3.771 4.134 0.014 16 0 "[ . 1 . 2]" 1
150 1 18 ALA H 1 18 ALA MB . . 2.910 2.197 2.111 2.236 . 0 0 "[ . 1 . 2]" 1
151 1 18 ALA H 1 19 LEU H . . 5.500 3.029 2.847 3.098 . 0 0 "[ . 1 . 2]" 1
152 1 18 ALA H 1 19 LEU QD . . 5.500 3.592 2.947 3.866 . 0 0 "[ . 1 . 2]" 1
153 1 18 ALA H 1 20 GLU H . . 4.020 3.704 3.486 3.776 . 0 0 "[ . 1 . 2]" 1
154 1 18 ALA H 1 20 GLU HB3 . . 5.450 5.076 4.324 5.415 . 0 0 "[ . 1 . 2]" 1
155 1 18 ALA MB 1 19 LEU HB3 . . 4.130 3.998 3.557 4.071 . 0 0 "[ . 1 . 2]" 1
156 1 18 ALA MB 1 19 LEU QD . . 3.620 3.346 2.046 3.539 . 0 0 "[ . 1 . 2]" 1
157 1 18 ALA MB 1 19 LEU HG . . 4.310 3.168 2.577 4.616 0.306 16 0 "[ . 1 . 2]" 1
158 1 18 ALA MB 1 20 GLU H . . 4.360 3.962 3.936 3.989 . 0 0 "[ . 1 . 2]" 1
159 1 19 LEU H 1 20 GLU HA . . 5.070 4.998 4.799 5.125 0.055 18 0 "[ . 1 . 2]" 1
160 1 19 LEU H 1 21 LYS H . . 5.500 4.686 4.347 4.969 . 0 0 "[ . 1 . 2]" 1
161 1 19 LEU HA 1 19 LEU QD . . 3.590 3.307 2.953 3.412 . 0 0 "[ . 1 . 2]" 1
162 1 19 LEU HA 1 19 LEU HG . . 3.830 3.653 3.500 4.261 0.431 16 0 "[ . 1 . 2]" 1
163 1 19 LEU HA 1 20 GLU H . . 3.390 3.410 3.397 3.430 0.040 10 0 "[ . 1 . 2]" 1
164 1 19 LEU HA 1 22 ALA H . . 3.600 3.315 3.077 3.580 . 0 0 "[ . 1 . 2]" 1
165 1 19 LEU HA 1 22 ALA MB . . 5.020 2.803 2.371 3.604 . 0 0 "[ . 1 . 2]" 1
166 1 19 LEU HB2 1 19 LEU QD . . 3.270 2.081 2.025 2.368 . 0 0 "[ . 1 . 2]" 1
167 1 19 LEU HB2 1 20 GLU H . . 3.980 3.816 3.705 4.065 0.085 10 0 "[ . 1 . 2]" 1
168 1 19 LEU HB2 1 20 GLU HA . . 4.500 4.356 4.233 4.747 0.247 10 0 "[ . 1 . 2]" 1
169 1 19 LEU HB2 1 22 ALA H . . 4.700 4.570 4.352 4.729 0.029 14 0 "[ . 1 . 2]" 1
170 1 19 LEU HB3 1 22 ALA MB . . 5.500 4.016 3.721 4.430 . 0 0 "[ . 1 . 2]" 1
171 1 19 LEU QD 1 20 GLU H . . 3.790 2.052 1.777 2.940 . 0 0 "[ . 1 . 2]" 1
172 1 19 LEU QD 1 20 GLU HA . . 5.500 2.824 2.688 3.898 . 0 0 "[ . 1 . 2]" 1
173 1 19 LEU QD 1 21 LYS H . . 5.500 4.341 4.114 4.960 . 0 0 "[ . 1 . 2]" 1
174 1 19 LEU QD 1 22 ALA H . . 5.500 4.567 4.385 4.933 . 0 0 "[ . 1 . 2]" 1
175 1 19 LEU QD 1 23 ALA H . . 5.410 4.936 4.450 5.226 . 0 0 "[ . 1 . 2]" 1
176 1 19 LEU HG 1 20 GLU H . . 3.570 3.589 2.502 4.361 0.791 16 1 "[ . 1 .+ 2]" 1
177 1 20 GLU H 1 20 GLU HB2 . . 3.310 2.251 2.113 2.612 . 0 0 "[ . 1 . 2]" 1
178 1 20 GLU H 1 20 GLU HB3 . . 3.050 2.872 2.456 3.058 0.008 11 0 "[ . 1 . 2]" 1
179 1 20 GLU H 1 22 ALA H . . 4.290 4.097 3.930 4.293 0.003 7 0 "[ . 1 . 2]" 1
180 1 20 GLU HA 1 20 GLU QG . . 3.460 2.477 2.212 3.081 . 0 0 "[ . 1 . 2]" 1
181 1 20 GLU HA 1 22 ALA H . . 4.870 3.995 3.773 4.411 . 0 0 "[ . 1 . 2]" 1
182 1 20 GLU HA 1 22 ALA MB . . 5.500 4.598 4.146 5.143 . 0 0 "[ . 1 . 2]" 1
183 1 20 GLU HA 1 23 ALA MB . . 3.340 2.968 2.380 3.353 0.013 7 0 "[ . 1 . 2]" 1
184 1 20 GLU HA 1 24 ALA H . . 5.300 4.815 3.664 5.305 0.005 14 0 "[ . 1 . 2]" 1
185 1 20 GLU HB2 1 21 LYS H . . 3.880 3.550 3.269 3.871 . 0 0 "[ . 1 . 2]" 1
186 1 20 GLU HB3 1 21 LYS H . . 3.510 2.501 2.219 2.805 . 0 0 "[ . 1 . 2]" 1
187 1 20 GLU HB3 1 21 LYS HD2 . . 5.500 3.942 3.658 6.180 0.680 14 1 "[ . 1 +. 2]" 1
188 1 20 GLU HB3 1 22 ALA H . . 4.850 4.760 4.552 4.926 0.076 19 0 "[ . 1 . 2]" 1
189 1 20 GLU HB3 1 23 ALA H . . 5.220 5.153 4.986 5.274 0.054 16 0 "[ . 1 . 2]" 1
190 1 20 GLU QG 1 21 LYS H . . 4.430 3.904 3.009 4.202 . 0 0 "[ . 1 . 2]" 1
191 1 20 GLU QG 1 22 ALA H . . 5.500 5.187 4.993 5.273 . 0 0 "[ . 1 . 2]" 1
192 1 20 GLU QG 1 23 ALA H . . 5.500 4.528 4.191 4.771 . 0 0 "[ . 1 . 2]" 1
193 1 20 GLU QG 1 23 ALA MB . . 4.360 3.579 3.105 4.173 . 0 0 "[ . 1 . 2]" 1
194 1 20 GLU QG 1 24 ALA H . . 5.500 4.623 3.800 5.241 . 0 0 "[ . 1 . 2]" 1
195 1 20 GLU QG 1 24 ALA MB . . 5.400 4.405 3.011 5.226 . 0 0 "[ . 1 . 2]" 1
196 1 21 LYS H 1 21 LYS HB2 . . 2.930 2.108 2.079 2.176 . 0 0 "[ . 1 . 2]" 1
197 1 21 LYS H 1 21 LYS HB3 . . 3.440 3.410 3.364 3.487 0.047 14 0 "[ . 1 . 2]" 1
198 1 21 LYS H 1 21 LYS HD2 . . 4.550 2.948 2.571 5.250 0.700 14 1 "[ . 1 +. 2]" 1
199 1 21 LYS H 1 21 LYS HD3 . . 5.440 4.333 4.179 4.463 . 0 0 "[ . 1 . 2]" 1
200 1 21 LYS H 1 21 LYS HE2 . . 4.960 3.557 3.036 4.902 . 0 0 "[ . 1 . 2]" 1
201 1 21 LYS H 1 21 LYS HE3 . . 5.500 2.562 2.134 3.633 . 0 0 "[ . 1 . 2]" 1
202 1 21 LYS H 1 21 LYS HG3 . . 4.440 4.016 3.864 4.123 . 0 0 "[ . 1 . 2]" 1
203 1 21 LYS H 1 22 ALA H . . 3.350 2.723 2.580 2.788 . 0 0 "[ . 1 . 2]" 1
204 1 21 LYS HA 1 21 LYS HB2 . . 2.890 2.916 2.889 2.958 0.068 14 0 "[ . 1 . 2]" 1
205 1 21 LYS HA 1 21 LYS HB3 . . 2.760 2.771 2.707 2.807 0.047 12 0 "[ . 1 . 2]" 1
206 1 21 LYS HA 1 21 LYS HD2 . . 3.860 3.537 3.325 3.863 0.003 10 0 "[ . 1 . 2]" 1
207 1 21 LYS HA 1 21 LYS HE2 . . 4.950 2.065 1.996 2.547 . 0 0 "[ . 1 . 2]" 1
208 1 21 LYS HA 1 21 LYS HE3 . . 5.430 2.741 2.258 3.082 . 0 0 "[ . 1 . 2]" 1
209 1 21 LYS HA 1 23 ALA H . . 4.310 3.775 3.539 4.238 . 0 0 "[ . 1 . 2]" 1
210 1 21 LYS HA 1 24 ALA H . . 4.250 3.257 3.011 3.716 . 0 0 "[ . 1 . 2]" 1
211 1 21 LYS HA 1 24 ALA MB . . 5.500 2.737 2.419 3.079 . 0 0 "[ . 1 . 2]" 1
212 1 21 LYS HA 1 25 ALA MB . . 5.500 5.361 4.296 5.510 0.010 19 0 "[ . 1 . 2]" 1
213 1 21 LYS HB2 1 21 LYS HD2 . . 3.390 2.331 2.221 4.144 0.754 14 1 "[ . 1 +. 2]" 1
214 1 21 LYS HB2 1 22 ALA H . . 3.340 3.193 2.917 3.348 0.008 12 0 "[ . 1 . 2]" 1
215 1 21 LYS HB2 1 22 ALA HA . . 5.150 4.966 4.788 5.054 . 0 0 "[ . 1 . 2]" 1
216 1 21 LYS HB2 1 22 ALA MB . . 5.500 4.525 4.248 4.704 . 0 0 "[ . 1 . 2]" 1
217 1 21 LYS HB2 1 23 ALA H . . 5.300 5.139 4.925 5.252 . 0 0 "[ . 1 . 2]" 1
218 1 21 LYS HB3 1 22 ALA H . . 3.360 3.349 3.158 3.510 0.150 14 0 "[ . 1 . 2]" 1
219 1 21 LYS HD2 1 21 LYS HG3 . . 3.000 2.959 2.236 3.015 0.015 10 0 "[ . 1 . 2]" 1
220 1 21 LYS HE2 1 22 ALA H . . 5.500 5.253 4.876 6.016 0.516 14 1 "[ . 1 +. 2]" 1
221 1 21 LYS HE2 1 23 ALA H . . 5.500 5.527 5.502 5.647 0.147 10 0 "[ . 1 . 2]" 1
222 1 21 LYS HE2 1 24 ALA H . . 5.500 4.698 4.083 5.068 . 0 0 "[ . 1 . 2]" 1
223 1 21 LYS HE3 1 23 ALA H . . 5.500 5.527 5.502 5.656 0.156 10 0 "[ . 1 . 2]" 1
224 1 21 LYS HG2 1 22 ALA H . . 5.500 5.340 4.934 5.447 . 0 0 "[ . 1 . 2]" 1
225 1 22 ALA H 1 23 ALA H . . 3.230 2.557 2.283 2.687 . 0 0 "[ . 1 . 2]" 1
226 1 22 ALA H 1 24 ALA MB . . 5.500 4.971 4.774 5.388 . 0 0 "[ . 1 . 2]" 1
227 1 22 ALA HA 1 24 ALA H . . 5.500 4.445 4.123 4.883 . 0 0 "[ . 1 . 2]" 1
228 1 22 ALA MB 1 24 ALA H . . 5.500 4.724 4.553 4.984 . 0 0 "[ . 1 . 2]" 1
229 1 23 ALA H 1 23 ALA MB . . 2.880 2.181 2.104 2.296 . 0 0 "[ . 1 . 2]" 1
230 1 23 ALA H 1 24 ALA H . . 3.370 2.351 2.300 2.474 . 0 0 "[ . 1 . 2]" 1
231 1 23 ALA HA 1 24 ALA MB . . 5.320 5.000 4.975 5.037 . 0 0 "[ . 1 . 2]" 1
232 1 23 ALA HA 1 25 ALA MB . . 5.500 4.450 4.100 4.789 . 0 0 "[ . 1 . 2]" 1
233 1 23 ALA HA 1 26 ARG H . . 5.360 3.524 3.114 4.207 . 0 0 "[ . 1 . 2]" 1
234 1 23 ALA HA 1 26 ARG QD . . 4.020 2.782 2.154 3.669 . 0 0 "[ . 1 . 2]" 1
235 1 23 ALA HA 1 27 ARG H . . 5.500 4.401 3.644 5.358 . 0 0 "[ . 1 . 2]" 1
236 1 23 ALA MB 1 24 ALA H . . 2.870 2.713 2.356 2.869 . 0 0 "[ . 1 . 2]" 1
237 1 23 ALA MB 1 26 ARG QD . . 4.440 3.734 2.910 4.162 . 0 0 "[ . 1 . 2]" 1
238 1 23 ALA MB 1 27 ARG H . . 5.500 4.554 3.851 5.255 . 0 0 "[ . 1 . 2]" 1
239 1 24 ALA H 1 25 ALA H . . 3.320 2.627 2.404 2.716 . 0 0 "[ . 1 . 2]" 1
240 1 24 ALA H 1 27 ARG H . . 5.500 4.847 4.660 5.102 . 0 0 "[ . 1 . 2]" 1
241 1 24 ALA HA 1 25 ALA H . . 3.430 3.446 3.432 3.467 0.037 7 0 "[ . 1 . 2]" 1
242 1 24 ALA HA 1 27 ARG H . . 4.220 3.378 2.859 3.966 . 0 0 "[ . 1 . 2]" 1
243 1 24 ALA MB 1 25 ALA H . . 5.500 2.961 2.886 3.015 . 0 0 "[ . 1 . 2]" 1
244 1 25 ALA H 1 26 ARG HG3 . . 5.500 4.847 4.094 6.180 0.680 18 1 "[ . 1 . + 2]" 1
245 1 25 ALA H 1 55 VAL QG . . 5.500 4.585 4.072 4.897 . 0 0 "[ . 1 . 2]" 1
246 1 25 ALA HA 1 27 ARG H . . 5.500 4.454 4.061 5.205 . 0 0 "[ . 1 . 2]" 1
247 1 25 ALA HA 1 55 VAL QG . . 3.770 2.962 2.202 3.598 . 0 0 "[ . 1 . 2]" 1
248 1 25 ALA MB 1 26 ARG HG2 . . 5.500 4.314 3.664 4.761 . 0 0 "[ . 1 . 2]" 1
249 1 25 ALA MB 1 55 VAL QG . . 5.090 2.221 1.763 2.776 . 0 0 "[ . 1 . 2]" 1
250 1 26 ARG H 1 26 ARG HB2 . . 3.460 2.875 2.327 3.638 0.178 7 0 "[ . 1 . 2]" 1
251 1 26 ARG H 1 26 ARG QD . . 5.500 3.263 2.187 4.062 . 0 0 "[ . 1 . 2]" 1
252 1 26 ARG H 1 26 ARG HG3 . . 4.800 2.746 2.215 3.731 . 0 0 "[ . 1 . 2]" 1
253 1 26 ARG HA 1 26 ARG HG3 . . 3.870 3.035 2.359 3.919 0.049 18 0 "[ . 1 . 2]" 1
254 1 26 ARG HA 1 55 VAL QG . . 3.880 3.453 2.241 3.830 . 0 0 "[ . 1 . 2]" 1
255 1 26 ARG HB2 1 26 ARG QD . . 3.720 2.294 2.003 3.006 . 0 0 "[ . 1 . 2]" 1
256 1 26 ARG HG3 1 27 ARG H . . 5.160 3.809 2.246 4.731 . 0 0 "[ . 1 . 2]" 1
257 1 30 ALA HA 1 33 LYS H . . 4.350 3.274 3.051 3.647 . 0 0 "[ . 1 . 2]" 1
258 1 30 ALA HA 1 33 LYS HB3 . . 3.900 2.623 2.104 3.390 . 0 0 "[ . 1 . 2]" 1
259 1 30 ALA HA 1 33 LYS HG2 . . 5.500 4.736 4.209 5.519 0.019 3 0 "[ . 1 . 2]" 1
260 1 30 ALA HA 1 34 ASP H . . 4.680 4.067 3.741 4.490 . 0 0 "[ . 1 . 2]" 1
261 1 31 GLU H 1 31 GLU HB2 . . 3.270 2.131 2.067 2.423 . 0 0 "[ . 1 . 2]" 1
262 1 31 GLU H 1 31 GLU HG2 . . 4.070 3.818 2.963 4.098 0.028 14 0 "[ . 1 . 2]" 1
263 1 31 GLU H 1 31 GLU HG3 . . 3.800 3.570 2.422 4.154 0.354 15 0 "[ . 1 . 2]" 1
264 1 31 GLU H 1 32 LEU H . . 3.550 2.723 2.547 3.085 . 0 0 "[ . 1 . 2]" 1
265 1 31 GLU H 1 32 LEU QD . . 5.420 3.877 2.817 5.378 . 0 0 "[ . 1 . 2]" 1
266 1 31 GLU H 1 33 LYS H . . 4.460 4.045 3.795 4.461 0.001 2 0 "[ . 1 . 2]" 1
267 1 31 GLU H 1 34 ASP QB . . 5.500 4.625 4.409 4.926 . 0 0 "[ . 1 . 2]" 1
268 1 31 GLU HA 1 31 GLU HG2 . . 3.920 2.225 2.019 3.605 . 0 0 "[ . 1 . 2]" 1
269 1 31 GLU HA 1 33 LYS H . . 4.960 4.302 3.924 4.533 . 0 0 "[ . 1 . 2]" 1
270 1 31 GLU HA 1 34 ASP H . . 3.730 3.408 3.077 3.669 . 0 0 "[ . 1 . 2]" 1
271 1 31 GLU HA 1 34 ASP QB . . 3.460 2.554 1.992 2.935 . 0 0 "[ . 1 . 2]" 1
272 1 31 GLU HA 1 35 ARG H . . 4.420 4.029 3.563 4.477 0.057 7 0 "[ . 1 . 2]" 1
273 1 31 GLU HB2 1 32 LEU H . . 3.720 3.041 2.242 3.451 . 0 0 "[ . 1 . 2]" 1
274 1 31 GLU HB2 1 32 LEU QD . . 4.850 3.706 2.635 4.752 . 0 0 "[ . 1 . 2]" 1
275 1 31 GLU HB2 1 34 ASP QB . . 5.500 5.119 4.673 5.445 . 0 0 "[ . 1 . 2]" 1
276 1 31 GLU HB3 1 32 LEU H . . 4.410 3.037 2.218 3.321 . 0 0 "[ . 1 . 2]" 1
277 1 31 GLU HB3 1 32 LEU HA . . 4.180 3.965 3.777 4.186 0.006 16 0 "[ . 1 . 2]" 1
278 1 31 GLU HB3 1 32 LEU QD . . 4.300 3.436 1.997 4.264 . 0 0 "[ . 1 . 2]" 1
279 1 31 GLU HG2 1 32 LEU H . . 5.040 4.872 4.480 5.011 . 0 0 "[ . 1 . 2]" 1
280 1 31 GLU HG2 1 34 ASP QB . . 5.500 4.033 3.146 5.239 . 0 0 "[ . 1 . 2]" 1
281 1 31 GLU HG3 1 32 LEU H . . 5.310 5.039 4.254 5.331 0.021 17 0 "[ . 1 . 2]" 1
282 1 32 LEU H 1 32 LEU HB2 . . 3.540 2.632 2.048 3.557 0.017 16 0 "[ . 1 . 2]" 1
283 1 32 LEU H 1 32 LEU HB3 . . 3.440 3.294 2.777 3.632 0.192 9 0 "[ . 1 . 2]" 1
284 1 32 LEU H 1 32 LEU QD . . 3.910 2.415 1.620 3.315 . 0 0 "[ . 1 . 2]" 1
285 1 32 LEU H 1 32 LEU HG . . 4.790 3.481 2.054 4.508 . 0 0 "[ . 1 . 2]" 1
286 1 32 LEU H 1 33 LYS H . . 3.700 2.555 2.294 2.841 . 0 0 "[ . 1 . 2]" 1
287 1 32 LEU H 1 34 ASP QB . . 5.500 4.766 4.555 5.104 . 0 0 "[ . 1 . 2]" 1
288 1 32 LEU HA 1 32 LEU QD . . 3.380 2.553 1.930 3.309 . 0 0 "[ . 1 . 2]" 1
289 1 32 LEU HA 1 33 LYS HA . . 5.100 4.690 4.669 4.704 . 0 0 "[ . 1 . 2]" 1
290 1 32 LEU HA 1 35 ARG QB . . 5.170 4.290 3.947 4.841 . 0 0 "[ . 1 . 2]" 1
291 1 32 LEU HA 1 35 ARG HD2 . . 4.480 3.022 2.116 4.421 . 0 0 "[ . 1 . 2]" 1
292 1 32 LEU HA 1 35 ARG HD3 . . 5.500 4.402 3.606 5.378 . 0 0 "[ . 1 . 2]" 1
293 1 32 LEU HA 1 35 ARG QG . . 4.390 2.381 2.020 2.898 . 0 0 "[ . 1 . 2]" 1
294 1 32 LEU HA 1 36 LEU H . . 5.410 4.628 4.370 4.926 . 0 0 "[ . 1 . 2]" 1
295 1 32 LEU QD 1 33 LYS H . . 4.430 3.334 1.763 4.142 . 0 0 "[ . 1 . 2]" 1
296 1 32 LEU QD 1 33 LYS HA . . 4.740 4.381 2.904 4.814 0.074 13 0 "[ . 1 . 2]" 1
297 1 32 LEU QD 1 34 ASP H . . 5.390 4.770 3.654 5.424 0.034 5 0 "[ . 1 . 2]" 1
298 1 32 LEU HG 1 33 LYS H . . 5.100 4.508 2.192 5.148 0.048 20 0 "[ . 1 . 2]" 1
299 1 33 LYS H 1 33 LYS HB3 . . 3.300 2.334 2.303 2.370 . 0 0 "[ . 1 . 2]" 1
300 1 33 LYS H 1 33 LYS HG2 . . 4.250 4.276 4.236 4.308 0.058 19 0 "[ . 1 . 2]" 1
301 1 33 LYS H 1 33 LYS HG3 . . 4.600 4.580 4.569 4.600 . 0 0 "[ . 1 . 2]" 1
302 1 33 LYS H 1 34 ASP H . . 3.530 2.374 2.301 2.435 . 0 0 "[ . 1 . 2]" 1
303 1 33 LYS H 1 34 ASP HA . . 5.420 4.995 4.948 5.078 . 0 0 "[ . 1 . 2]" 1
304 1 33 LYS H 1 34 ASP QB . . 4.900 4.226 4.071 4.510 . 0 0 "[ . 1 . 2]" 1
305 1 33 LYS H 1 35 ARG QG . . 5.500 4.212 3.839 4.542 . 0 0 "[ . 1 . 2]" 1
306 1 33 LYS H 1 36 LEU H . . 5.500 5.018 4.801 5.203 . 0 0 "[ . 1 . 2]" 1
307 1 33 LYS H 1 67 ALA MB . . 5.070 4.467 4.032 5.057 . 0 0 "[ . 1 . 2]" 1
308 1 33 LYS HA 1 33 LYS HG2 . . 3.830 3.239 3.173 3.320 . 0 0 "[ . 1 . 2]" 1
309 1 33 LYS HA 1 33 LYS HG3 . . 3.990 2.723 2.708 2.758 . 0 0 "[ . 1 . 2]" 1
310 1 33 LYS HA 1 34 ASP HA . . 5.500 4.768 4.701 4.873 . 0 0 "[ . 1 . 2]" 1
311 1 33 LYS HA 1 36 LEU H . . 4.510 3.671 3.495 3.867 . 0 0 "[ . 1 . 2]" 1
312 1 33 LYS HA 1 36 LEU HB2 . . 4.490 2.862 2.560 3.269 . 0 0 "[ . 1 . 2]" 1
313 1 33 LYS HA 1 36 LEU HB3 . . 4.700 4.284 4.071 4.573 . 0 0 "[ . 1 . 2]" 1
314 1 33 LYS HA 1 36 LEU HG . . 5.500 4.607 3.297 5.285 . 0 0 "[ . 1 . 2]" 1
315 1 33 LYS HA 1 37 LYS HB2 . . 5.500 4.818 4.615 5.095 . 0 0 "[ . 1 . 2]" 1
316 1 33 LYS HA 1 67 ALA MB . . 4.040 2.491 1.944 2.943 . 0 0 "[ . 1 . 2]" 1
317 1 33 LYS HB3 1 33 LYS QD . . 3.600 2.454 2.315 2.891 . 0 0 "[ . 1 . 2]" 1
318 1 33 LYS HB3 1 34 ASP H . . 3.380 3.021 2.650 3.135 . 0 0 "[ . 1 . 2]" 1
319 1 33 LYS HB3 1 34 ASP HA . . 5.040 4.502 4.422 4.567 . 0 0 "[ . 1 . 2]" 1
320 1 33 LYS HB3 1 34 ASP QB . . 5.500 4.569 4.162 5.097 . 0 0 "[ . 1 . 2]" 1
321 1 33 LYS HB3 1 67 ALA MB . . 4.370 3.783 3.304 4.262 . 0 0 "[ . 1 . 2]" 1
322 1 33 LYS QD 1 37 LYS QE . . 3.880 2.890 2.254 3.592 . 0 0 "[ . 1 . 2]" 1
323 1 33 LYS HG2 1 34 ASP H . . 4.500 3.801 3.435 3.932 . 0 0 "[ . 1 . 2]" 1
324 1 33 LYS HG2 1 34 ASP HA . . 4.440 3.555 3.364 3.647 . 0 0 "[ . 1 . 2]" 1
325 1 33 LYS HG2 1 37 LYS H . . 4.610 4.469 3.963 4.652 0.042 5 0 "[ . 1 . 2]" 1
326 1 33 LYS HG2 1 37 LYS HA . . 5.500 5.152 4.588 5.505 0.005 5 0 "[ . 1 . 2]" 1
327 1 33 LYS HG2 1 37 LYS HB2 . . 3.870 3.364 2.679 3.722 . 0 0 "[ . 1 . 2]" 1
328 1 33 LYS HG2 1 67 ALA HA . . 4.640 4.006 3.310 4.464 . 0 0 "[ . 1 . 2]" 1
329 1 33 LYS HG2 1 67 ALA MB . . 4.100 3.535 3.310 3.968 . 0 0 "[ . 1 . 2]" 1
330 1 33 LYS HG3 1 34 ASP H . . 5.500 4.812 4.559 4.925 . 0 0 "[ . 1 . 2]" 1
331 1 33 LYS HG3 1 67 ALA HA . . 5.310 2.481 1.995 3.112 . 0 0 "[ . 1 . 2]" 1
332 1 34 ASP H 1 34 ASP QB . . 2.960 2.285 2.193 2.524 . 0 0 "[ . 1 . 2]" 1
333 1 34 ASP H 1 35 ARG H . . 3.420 2.722 2.543 2.965 . 0 0 "[ . 1 . 2]" 1
334 1 34 ASP H 1 36 LEU H . . 4.640 3.997 3.850 4.291 . 0 0 "[ . 1 . 2]" 1
335 1 34 ASP HA 1 36 LEU H . . 4.690 4.307 4.062 4.695 0.005 15 0 "[ . 1 . 2]" 1
336 1 34 ASP HA 1 37 LYS H . . 4.060 3.254 3.046 3.560 . 0 0 "[ . 1 . 2]" 1
337 1 34 ASP HA 1 37 LYS HB2 . . 3.620 2.497 1.977 3.075 . 0 0 "[ . 1 . 2]" 1
338 1 34 ASP HA 1 37 LYS HB3 . . 4.930 3.018 2.210 3.714 . 0 0 "[ . 1 . 2]" 1
339 1 34 ASP QB 1 35 ARG H . . 3.400 2.287 2.168 2.460 . 0 0 "[ . 1 . 2]" 1
340 1 34 ASP QB 1 35 ARG QB . . 4.420 4.097 3.957 4.297 . 0 0 "[ . 1 . 2]" 1
341 1 34 ASP QB 1 35 ARG QG . . 5.410 3.838 3.657 4.316 . 0 0 "[ . 1 . 2]" 1
342 1 34 ASP QB 1 36 LEU H . . 4.960 4.534 4.418 4.759 . 0 0 "[ . 1 . 2]" 1
343 1 34 ASP QB 1 37 LYS H . . 5.220 4.653 4.467 4.845 . 0 0 "[ . 1 . 2]" 1
344 1 34 ASP QB 1 37 LYS HB2 . . 5.430 4.540 4.016 5.103 . 0 0 "[ . 1 . 2]" 1
345 1 35 ARG H 1 35 ARG QB . . 3.510 2.607 2.376 2.666 . 0 0 "[ . 1 . 2]" 1
346 1 35 ARG H 1 35 ARG HD2 . . 4.720 4.474 4.234 4.780 0.060 10 0 "[ . 1 . 2]" 1
347 1 35 ARG H 1 35 ARG QG . . 4.040 2.080 1.933 2.430 . 0 0 "[ . 1 . 2]" 1
348 1 35 ARG H 1 36 LEU H . . 3.560 2.818 2.753 2.917 . 0 0 "[ . 1 . 2]" 1
349 1 35 ARG H 1 37 LYS HB2 . . 4.950 5.142 4.842 5.814 0.864 2 4 "[ + . - *1 . *]" 1
350 1 35 ARG H 1 38 ARG HD3 . . 5.500 5.434 5.092 5.647 0.147 17 0 "[ . 1 . 2]" 1
351 1 35 ARG H 1 38 ARG HG3 . . 5.320 5.223 5.047 5.301 . 0 0 "[ . 1 . 2]" 1
352 1 35 ARG HA 1 35 ARG QG . . 3.800 3.330 3.309 3.400 . 0 0 "[ . 1 . 2]" 1
353 1 35 ARG HA 1 37 LYS H . . 5.470 4.222 3.966 4.540 . 0 0 "[ . 1 . 2]" 1
354 1 35 ARG HA 1 38 ARG H . . 4.320 3.813 3.604 4.036 . 0 0 "[ . 1 . 2]" 1
355 1 35 ARG HA 1 38 ARG QD . . 4.950 3.607 3.249 4.575 . 0 0 "[ . 1 . 2]" 1
356 1 35 ARG HA 1 38 ARG HH22 . . 5.240 3.428 2.163 4.061 . 0 0 "[ . 1 . 2]" 1
357 1 35 ARG HA 1 41 THR H . . 5.500 4.790 4.141 5.548 0.048 7 0 "[ . 1 . 2]" 1
358 1 35 ARG QB 1 35 ARG HD2 . . 3.900 3.302 3.254 3.347 . 0 0 "[ . 1 . 2]" 1
359 1 35 ARG QB 1 35 ARG HD3 . . 3.340 2.378 2.029 2.514 . 0 0 "[ . 1 . 2]" 1
360 1 35 ARG QB 1 35 ARG HE . . 3.390 2.339 1.965 3.063 . 0 0 "[ . 1 . 2]" 1
361 1 35 ARG QB 1 35 ARG HH21 . . 5.500 4.036 3.731 4.735 . 0 0 "[ . 1 . 2]" 1
362 1 35 ARG QB 1 36 LEU H . . 4.110 3.326 3.115 3.497 . 0 0 "[ . 1 . 2]" 1
363 1 35 ARG QB 1 38 ARG HH21 . . 5.310 2.513 2.174 4.447 . 0 0 "[ . 1 . 2]" 1
364 1 35 ARG QB 1 41 THR H . . 5.500 3.918 3.213 5.108 . 0 0 "[ . 1 . 2]" 1
365 1 35 ARG QB 1 41 THR HB . . 5.500 2.742 1.963 3.887 . 0 0 "[ . 1 . 2]" 1
366 1 35 ARG QB 1 41 THR MG . . 4.150 2.399 1.796 2.682 . 0 0 "[ . 1 . 2]" 1
367 1 35 ARG HD2 1 36 LEU H . . 5.500 3.698 2.770 4.140 . 0 0 "[ . 1 . 2]" 1
368 1 35 ARG HD2 1 36 LEU HA . . 5.350 4.883 3.719 5.358 0.008 17 0 "[ . 1 . 2]" 1
369 1 35 ARG HD2 1 36 LEU MD1 . . 3.870 3.598 3.277 3.905 0.035 17 0 "[ . 1 . 2]" 1
370 1 35 ARG HD2 1 36 LEU HG . . 3.780 2.952 1.915 3.531 . 0 0 "[ . 1 . 2]" 1
371 1 35 ARG HD2 1 41 THR HB . . 4.370 4.143 3.675 4.378 0.008 1 0 "[ . 1 . 2]" 1
372 1 35 ARG HD2 1 41 THR MG . . 4.190 3.501 3.193 4.090 . 0 0 "[ . 1 . 2]" 1
373 1 35 ARG HD3 1 36 LEU H . . 5.500 3.077 2.475 3.423 . 0 0 "[ . 1 . 2]" 1
374 1 35 ARG HD3 1 36 LEU HB2 . . 4.630 4.049 3.572 4.702 0.072 10 0 "[ . 1 . 2]" 1
375 1 35 ARG HD3 1 36 LEU HG . . 3.340 2.466 2.195 3.081 . 0 0 "[ . 1 . 2]" 1
376 1 35 ARG HD3 1 41 THR MG . . 4.450 2.115 1.886 3.097 . 0 0 "[ . 1 . 2]" 1
377 1 35 ARG HE 1 41 THR HA . . 5.500 4.605 3.761 5.540 0.040 9 0 "[ . 1 . 2]" 1
378 1 35 ARG HE 1 41 THR HB . . 5.500 2.563 1.943 3.805 . 0 0 "[ . 1 . 2]" 1
379 1 35 ARG HE 1 41 THR MG . . 5.500 2.932 1.875 3.779 . 0 0 "[ . 1 . 2]" 1
380 1 35 ARG QG 1 35 ARG HH21 . . 5.500 4.491 4.180 4.632 . 0 0 "[ . 1 . 2]" 1
381 1 35 ARG QG 1 36 LEU H . . 5.210 1.941 1.877 2.131 . 0 0 "[ . 1 . 2]" 1
382 1 35 ARG QG 1 36 LEU HA . . 4.950 4.159 3.826 4.328 . 0 0 "[ . 1 . 2]" 1
383 1 35 ARG QG 1 38 ARG HH21 . . 5.500 4.493 4.280 6.223 0.723 17 1 "[ . 1 . + 2]" 1
384 1 35 ARG QG 1 41 THR HB . . 4.910 4.294 3.805 4.749 . 0 0 "[ . 1 . 2]" 1
385 1 35 ARG QG 1 41 THR MG . . 4.400 3.301 3.136 3.523 . 0 0 "[ . 1 . 2]" 1
386 1 35 ARG HH21 1 41 THR HB . . 5.500 3.795 2.927 4.625 . 0 0 "[ . 1 . 2]" 1
387 1 35 ARG HH21 1 41 THR MG . . 5.270 4.307 2.847 5.012 . 0 0 "[ . 1 . 2]" 1
388 1 35 ARG HH21 1 42 ASN H . . 5.500 5.219 3.968 5.513 0.013 20 0 "[ . 1 . 2]" 1
389 1 36 LEU H 1 36 LEU HB2 . . 3.830 2.227 2.119 2.484 . 0 0 "[ . 1 . 2]" 1
390 1 36 LEU H 1 36 LEU HB3 . . 4.010 3.491 3.395 3.590 . 0 0 "[ . 1 . 2]" 1
391 1 36 LEU H 1 36 LEU MD2 . . 4.040 3.843 3.009 4.101 0.061 13 0 "[ . 1 . 2]" 1
392 1 36 LEU H 1 36 LEU HG . . 3.980 2.988 2.310 3.385 . 0 0 "[ . 1 . 2]" 1
393 1 36 LEU H 1 37 LYS H . . 3.740 2.447 2.325 2.683 . 0 0 "[ . 1 . 2]" 1
394 1 36 LEU H 1 37 LYS HB2 . . 5.100 4.422 4.089 4.889 . 0 0 "[ . 1 . 2]" 1
395 1 36 LEU H 1 38 ARG H . . 5.220 4.190 4.119 4.279 . 0 0 "[ . 1 . 2]" 1
396 1 36 LEU H 1 41 THR MG . . 4.390 3.486 2.998 4.500 0.110 7 0 "[ . 1 . 2]" 1
397 1 36 LEU H 1 67 ALA MB . . 5.380 5.105 4.056 5.392 0.012 19 0 "[ . 1 . 2]" 1
398 1 36 LEU HA 1 36 LEU MD2 . . 3.310 2.034 1.910 2.325 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU HA 1 38 ARG H . . 4.510 4.078 3.721 4.359 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU HA 1 39 GLY H . . 3.570 3.194 3.031 3.383 . 0 0 "[ . 1 . 2]" 1
401 1 36 LEU HB2 1 37 LYS H . . 3.220 3.049 2.728 3.232 0.012 6 0 "[ . 1 . 2]" 1
402 1 36 LEU HB2 1 37 LYS HA . . 5.500 4.645 4.327 4.848 . 0 0 "[ . 1 . 2]" 1
403 1 36 LEU HB2 1 38 ARG H . . 5.400 5.278 5.014 5.417 0.017 20 0 "[ . 1 . 2]" 1
404 1 36 LEU HB2 1 67 ALA MB . . 3.780 3.573 2.738 3.812 0.032 14 0 "[ . 1 . 2]" 1
405 1 36 LEU HB3 1 36 LEU MD1 . . 3.540 2.377 2.169 2.631 . 0 0 "[ . 1 . 2]" 1
406 1 36 LEU HB3 1 37 LYS H . . 5.070 3.612 3.293 3.921 . 0 0 "[ . 1 . 2]" 1
407 1 36 LEU MD1 1 41 THR HB . . 5.500 5.501 5.121 5.554 0.054 20 0 "[ . 1 . 2]" 1
408 1 36 LEU MD2 1 37 LYS H . . 5.500 4.680 4.550 4.900 . 0 0 "[ . 1 . 2]" 1
409 1 36 LEU MD2 1 38 ARG H . . 5.500 5.482 5.201 5.612 0.112 17 0 "[ . 1 . 2]" 1
410 1 36 LEU MD2 1 39 GLY H . . 5.500 4.453 4.289 4.638 . 0 0 "[ . 1 . 2]" 1
411 1 36 LEU MD2 1 41 THR H . . 4.760 4.285 3.796 4.695 . 0 0 "[ . 1 . 2]" 1
412 1 36 LEU MD2 1 41 THR HA . . 5.500 5.014 4.546 5.214 . 0 0 "[ . 1 . 2]" 1
413 1 36 LEU MD2 1 41 THR HB . . 4.730 3.931 2.802 4.456 . 0 0 "[ . 1 . 2]" 1
414 1 36 LEU MD2 1 41 THR MG . . 3.610 2.390 1.837 3.690 0.080 18 0 "[ . 1 . 2]" 1
415 1 36 LEU MD2 1 42 ASN H . . 5.130 4.136 3.576 4.322 . 0 0 "[ . 1 . 2]" 1
416 1 36 LEU MD2 1 42 ASN QB . . 5.500 4.946 4.564 5.040 . 0 0 "[ . 1 . 2]" 1
417 1 36 LEU MD2 1 43 LEU H . . 4.870 4.462 3.914 4.818 . 0 0 "[ . 1 . 2]" 1
418 1 36 LEU MD2 1 43 LEU QD . . 5.300 3.774 2.833 4.818 . 0 0 "[ . 1 . 2]" 1
419 1 36 LEU MD2 1 46 VAL HB . . 4.890 3.753 2.554 4.893 0.003 4 0 "[ . 1 . 2]" 1
420 1 36 LEU MD2 1 46 VAL QG . . 4.080 2.459 1.816 3.265 . 0 0 "[ . 1 . 2]" 1
421 1 37 LYS H 1 37 LYS HB2 . . 3.190 2.252 2.068 2.622 . 0 0 "[ . 1 . 2]" 1
422 1 37 LYS H 1 37 LYS HB3 . . 3.250 2.883 2.423 3.331 0.081 17 0 "[ . 1 . 2]" 1
423 1 37 LYS H 1 37 LYS QE . . 5.500 3.582 3.281 4.142 . 0 0 "[ . 1 . 2]" 1
424 1 37 LYS H 1 38 ARG H . . 3.700 2.645 2.492 2.850 . 0 0 "[ . 1 . 2]" 1
425 1 37 LYS H 1 38 ARG HA . . 5.390 5.268 5.151 5.424 0.034 7 0 "[ . 1 . 2]" 1
426 1 37 LYS H 1 39 GLY H . . 5.170 4.073 3.940 4.206 . 0 0 "[ . 1 . 2]" 1
427 1 37 LYS HA 1 37 LYS QE . . 4.490 3.005 2.038 4.268 . 0 0 "[ . 1 . 2]" 1
428 1 37 LYS HB2 1 37 LYS QE . . 4.630 2.188 1.975 2.812 . 0 0 "[ . 1 . 2]" 1
429 1 37 LYS HB2 1 38 ARG H . . 4.080 3.645 3.043 3.951 . 0 0 "[ . 1 . 2]" 1
430 1 37 LYS HB3 1 38 ARG H . . 5.110 2.840 2.548 3.102 . 0 0 "[ . 1 . 2]" 1
431 1 37 LYS HB3 1 39 GLY H . . 5.500 5.091 4.827 5.270 . 0 0 "[ . 1 . 2]" 1
432 1 37 LYS QE 1 38 ARG H . . 5.500 5.231 4.896 5.328 . 0 0 "[ . 1 . 2]" 1
433 1 37 LYS QE 1 67 ALA HA . . 4.370 3.544 2.612 4.242 . 0 0 "[ . 1 . 2]" 1
434 1 37 LYS QE 1 67 ALA MB . . 4.330 3.780 2.860 4.170 . 0 0 "[ . 1 . 2]" 1
435 1 38 ARG H 1 38 ARG HB2 . . 3.690 2.626 2.586 2.665 . 0 0 "[ . 1 . 2]" 1
436 1 38 ARG H 1 38 ARG HB3 . . 3.660 3.620 3.591 3.657 . 0 0 "[ . 1 . 2]" 1
437 1 38 ARG H 1 38 ARG QD . . 4.370 3.943 3.830 4.035 . 0 0 "[ . 1 . 2]" 1
438 1 38 ARG H 1 38 ARG HD3 . . 4.680 4.272 4.117 4.390 . 0 0 "[ . 1 . 2]" 1
439 1 38 ARG H 1 38 ARG HG2 . . 3.550 3.463 3.356 3.559 0.009 3 0 "[ . 1 . 2]" 1
440 1 38 ARG H 1 38 ARG HG3 . . 3.740 2.052 1.914 2.163 . 0 0 "[ . 1 . 2]" 1
441 1 38 ARG H 1 38 ARG HH21 . . 5.500 4.997 4.889 5.552 0.052 17 0 "[ . 1 . 2]" 1
442 1 38 ARG H 1 39 GLY H . . 3.780 2.428 2.283 2.573 . 0 0 "[ . 1 . 2]" 1
443 1 38 ARG H 1 41 THR MG . . 5.500 4.988 4.466 5.570 0.070 15 0 "[ . 1 . 2]" 1
444 1 38 ARG HA 1 38 ARG HG2 . . 3.400 2.818 2.687 2.862 . 0 0 "[ . 1 . 2]" 1
445 1 38 ARG HB2 1 38 ARG QD . . 3.160 2.817 2.783 3.036 . 0 0 "[ . 1 . 2]" 1
446 1 38 ARG HB2 1 38 ARG HE . . 3.620 2.076 1.955 2.521 . 0 0 "[ . 1 . 2]" 1
447 1 38 ARG HB2 1 38 ARG HH21 . . 5.500 3.803 3.523 3.859 . 0 0 "[ . 1 . 2]" 1
448 1 38 ARG HB2 1 39 GLY H . . 5.000 2.690 2.573 2.849 . 0 0 "[ . 1 . 2]" 1
449 1 38 ARG HB3 1 38 ARG QD . . 3.690 2.665 2.647 2.763 . 0 0 "[ . 1 . 2]" 1
450 1 38 ARG HB3 1 38 ARG HE . . 4.510 3.444 2.795 3.582 . 0 0 "[ . 1 . 2]" 1
451 1 38 ARG HB3 1 38 ARG HH21 . . 5.500 5.269 4.548 5.368 . 0 0 "[ . 1 . 2]" 1
452 1 38 ARG HB3 1 39 GLY H . . 4.980 3.874 3.761 4.007 . 0 0 "[ . 1 . 2]" 1
453 1 38 ARG HB3 1 39 GLY QA . . 5.040 4.675 4.563 4.794 . 0 0 "[ . 1 . 2]" 1
454 1 38 ARG HB3 1 40 GLY QA . . 5.500 4.521 4.232 4.794 . 0 0 "[ . 1 . 2]" 1
455 1 38 ARG HG2 1 39 GLY H . . 4.960 5.010 4.920 5.084 0.124 9 0 "[ . 1 . 2]" 1
456 1 38 ARG HH21 1 39 GLY H . . 4.910 4.968 4.931 5.073 0.163 17 0 "[ . 1 . 2]" 1
457 1 38 ARG HH21 1 40 GLY QA . . 4.580 3.889 2.595 4.581 0.001 15 0 "[ . 1 . 2]" 1
458 1 38 ARG HH21 1 41 THR H . . 4.940 3.880 3.144 5.124 0.184 17 0 "[ . 1 . 2]" 1
459 1 38 ARG HH21 1 41 THR HB . . 5.030 4.244 2.985 6.029 0.999 17 1 "[ . 1 . + 2]" 1
460 1 38 ARG HH21 1 41 THR MG . . 5.500 3.602 1.830 6.106 0.606 17 1 "[ . 1 . + 2]" 1
461 1 39 GLY H 1 40 GLY QA . . 5.110 4.245 4.008 4.439 . 0 0 "[ . 1 . 2]" 1
462 1 39 GLY H 1 41 THR H . . 5.500 3.585 3.263 3.922 . 0 0 "[ . 1 . 2]" 1
463 1 39 GLY H 1 41 THR MG . . 5.500 4.071 3.524 5.021 . 0 0 "[ . 1 . 2]" 1
464 1 39 GLY QA 1 41 THR H . . 4.640 3.671 3.119 4.167 . 0 0 "[ . 1 . 2]" 1
465 1 39 GLY QA 1 41 THR MG . . 5.030 4.107 3.448 5.427 0.397 15 0 "[ . 1 . 2]" 1
466 1 41 THR H 1 41 THR MG . . 4.570 2.534 2.146 3.289 . 0 0 "[ . 1 . 2]" 1
467 1 41 THR H 1 42 ASN H . . 5.500 4.533 4.399 4.613 . 0 0 "[ . 1 . 2]" 1
468 1 41 THR H 1 42 ASN HA . . 5.500 5.324 5.005 5.512 0.012 8 0 "[ . 1 . 2]" 1
469 1 41 THR HA 1 42 ASN HA . . 5.080 4.407 4.343 4.479 . 0 0 "[ . 1 . 2]" 1
470 1 41 THR HA 1 42 ASN HD21 . . 5.420 4.022 3.104 5.371 . 0 0 "[ . 1 . 2]" 1
471 1 41 THR HA 1 42 ASN HD22 . . 5.400 5.029 3.717 5.450 0.050 15 0 "[ . 1 . 2]" 1
472 1 41 THR HB 1 42 ASN H . . 4.750 3.169 1.941 3.750 . 0 0 "[ . 1 . 2]" 1
473 1 41 THR MG 1 42 ASN H . . 4.130 3.110 2.651 3.462 . 0 0 "[ . 1 . 2]" 1
474 1 41 THR MG 1 42 ASN HA . . 5.140 4.273 3.615 5.444 0.304 9 0 "[ . 1 . 2]" 1
475 1 41 THR MG 1 42 ASN QB . . 5.500 4.693 4.273 5.297 . 0 0 "[ . 1 . 2]" 1
476 1 42 ASN H 1 42 ASN HD21 . . 5.500 3.341 1.988 4.405 . 0 0 "[ . 1 . 2]" 1
477 1 42 ASN H 1 42 ASN HD22 . . 5.500 4.605 3.009 5.146 . 0 0 "[ . 1 . 2]" 1
478 1 42 ASN H 1 43 LEU H . . 5.170 4.506 4.419 4.560 . 0 0 "[ . 1 . 2]" 1
479 1 42 ASN H 1 45 GLN H . . 5.500 4.306 3.900 4.760 . 0 0 "[ . 1 . 2]" 1
480 1 42 ASN H 1 46 VAL H . . 5.500 4.577 3.516 5.559 0.059 18 0 "[ . 1 . 2]" 1
481 1 42 ASN H 1 46 VAL QG . . 5.500 4.219 3.459 5.344 . 0 0 "[ . 1 . 2]" 1
482 1 42 ASN HA 1 42 ASN HD21 . . 4.650 2.990 1.944 4.068 . 0 0 "[ . 1 . 2]" 1
483 1 42 ASN HA 1 42 ASN HD22 . . 5.350 3.818 3.388 4.692 . 0 0 "[ . 1 . 2]" 1
484 1 42 ASN HA 1 43 LEU HA . . 4.840 4.328 4.311 4.348 . 0 0 "[ . 1 . 2]" 1
485 1 42 ASN HA 1 43 LEU QB . . 5.500 4.192 4.048 4.640 . 0 0 "[ . 1 . 2]" 1
486 1 42 ASN HA 1 44 THR H . . 5.450 4.336 3.832 4.752 . 0 0 "[ . 1 . 2]" 1
487 1 42 ASN QB 1 43 LEU H . . 4.310 2.569 2.115 3.017 . 0 0 "[ . 1 . 2]" 1
488 1 42 ASN QB 1 43 LEU HA . . 5.500 4.342 4.225 4.477 . 0 0 "[ . 1 . 2]" 1
489 1 42 ASN QB 1 43 LEU QB . . 5.500 4.310 3.830 4.900 . 0 0 "[ . 1 . 2]" 1
490 1 42 ASN QB 1 44 THR H . . 4.930 2.744 2.370 3.147 . 0 0 "[ . 1 . 2]" 1
491 1 42 ASN QB 1 45 GLN H . . 5.500 2.347 2.061 2.829 . 0 0 "[ . 1 . 2]" 1
492 1 42 ASN QB 1 45 GLN HA . . 5.180 4.162 3.764 4.677 . 0 0 "[ . 1 . 2]" 1
493 1 42 ASN QB 1 45 GLN QB . . 5.450 2.137 1.865 2.857 . 0 0 "[ . 1 . 2]" 1
494 1 42 ASN HD21 1 43 LEU H . . 5.500 4.741 3.244 5.495 . 0 0 "[ . 1 . 2]" 1
495 1 42 ASN HD21 1 45 GLN QG . . 5.500 3.927 1.904 5.174 . 0 0 "[ . 1 . 2]" 1
496 1 43 LEU H 1 43 LEU QD . . 4.530 3.326 1.869 3.768 . 0 0 "[ . 1 . 2]" 1
497 1 43 LEU H 1 44 THR H . . 4.170 2.419 2.265 2.685 . 0 0 "[ . 1 . 2]" 1
498 1 43 LEU H 1 44 THR HA . . 5.500 5.078 4.935 5.280 . 0 0 "[ . 1 . 2]" 1
499 1 43 LEU H 1 45 GLN H . . 5.370 3.689 3.516 3.900 . 0 0 "[ . 1 . 2]" 1
500 1 43 LEU H 1 45 GLN QB . . 5.500 4.710 4.193 5.507 0.007 8 0 "[ . 1 . 2]" 1
501 1 43 LEU HA 1 43 LEU QD . . 4.130 2.551 1.908 3.421 . 0 0 "[ . 1 . 2]" 1
502 1 43 LEU HA 1 45 GLN H . . 5.500 4.020 3.809 4.333 . 0 0 "[ . 1 . 2]" 1
503 1 43 LEU HA 1 46 VAL H . . 4.620 3.677 3.307 4.229 . 0 0 "[ . 1 . 2]" 1
504 1 43 LEU HA 1 46 VAL QG . . 5.370 2.400 1.931 2.997 . 0 0 "[ . 1 . 2]" 1
505 1 43 LEU QB 1 44 THR H . . 3.880 2.894 2.359 3.445 . 0 0 "[ . 1 . 2]" 1
506 1 43 LEU QB 1 44 THR HA . . 5.500 4.279 3.924 4.620 . 0 0 "[ . 1 . 2]" 1
507 1 43 LEU QB 1 44 THR HB . . 5.500 4.925 4.339 5.500 . 0 0 "[ . 1 . 2]" 1
508 1 43 LEU QB 1 45 GLN H . . 5.430 4.609 4.349 4.879 . 0 0 "[ . 1 . 2]" 1
509 1 43 LEU QB 1 106 PHE HB3 . . 5.400 4.191 3.313 5.420 0.020 12 0 "[ . 1 . 2]" 1
510 1 43 LEU QD 1 44 THR H . . 4.400 3.274 1.840 3.958 . 0 0 "[ . 1 . 2]" 1
511 1 43 LEU QD 1 44 THR HB . . 5.500 4.545 3.081 5.311 . 0 0 "[ . 1 . 2]" 1
512 1 43 LEU QD 1 45 GLN H . . 5.500 4.641 3.784 5.122 . 0 0 "[ . 1 . 2]" 1
513 1 43 LEU QD 1 47 LEU HB3 . . 5.500 4.297 2.930 5.315 . 0 0 "[ . 1 . 2]" 1
514 1 43 LEU QD 1 47 LEU HG . . 5.060 4.417 3.450 4.979 . 0 0 "[ . 1 . 2]" 1
515 1 43 LEU QD 1 106 PHE H . . 4.820 4.119 3.557 4.631 . 0 0 "[ . 1 . 2]" 1
516 1 43 LEU QD 1 106 PHE HB2 . . 4.280 2.501 1.931 3.522 . 0 0 "[ . 1 . 2]" 1
517 1 43 LEU QD 1 106 PHE HB3 . . 4.210 2.361 1.832 3.334 . 0 0 "[ . 1 . 2]" 1
518 1 43 LEU QD 1 107 GLY H . . 4.720 4.507 3.921 4.759 0.039 12 0 "[ . 1 . 2]" 1
519 1 44 THR H 1 44 THR HB . . 3.370 2.465 2.409 2.567 . 0 0 "[ . 1 . 2]" 1
520 1 44 THR H 1 44 THR MG . . 3.680 3.764 3.747 3.783 0.103 11 0 "[ . 1 . 2]" 1
521 1 44 THR H 1 45 GLN H . . 3.450 2.433 2.272 2.720 . 0 0 "[ . 1 . 2]" 1
522 1 44 THR H 1 45 GLN QB . . 5.360 4.344 4.042 4.783 . 0 0 "[ . 1 . 2]" 1
523 1 44 THR H 1 45 GLN QG . . 5.030 4.364 3.740 4.880 . 0 0 "[ . 1 . 2]" 1
524 1 44 THR H 1 46 VAL QG . . 5.500 4.260 3.740 5.095 . 0 0 "[ . 1 . 2]" 1
525 1 44 THR H 1 47 LEU QD . . 4.300 3.913 3.560 4.122 . 0 0 "[ . 1 . 2]" 1
526 1 44 THR H 1 103 LEU QD . . 5.500 4.063 3.090 4.924 . 0 0 "[ . 1 . 2]" 1
527 1 44 THR HA 1 44 THR MG . . 3.230 2.381 2.307 2.451 . 0 0 "[ . 1 . 2]" 1
528 1 44 THR HA 1 47 LEU H . . 4.490 3.692 3.354 3.987 . 0 0 "[ . 1 . 2]" 1
529 1 44 THR HA 1 47 LEU HB2 . . 5.390 5.027 4.654 5.666 0.276 16 0 "[ . 1 . 2]" 1
530 1 44 THR HA 1 47 LEU HB3 . . 4.650 4.265 3.467 5.222 0.572 18 1 "[ . 1 . + 2]" 1
531 1 44 THR HA 1 47 LEU QD . . 3.520 1.884 1.753 2.061 . 0 0 "[ . 1 . 2]" 1
532 1 44 THR HA 1 47 LEU HG . . 4.300 2.685 2.003 3.782 . 0 0 "[ . 1 . 2]" 1
533 1 44 THR HA 1 48 LYS H . . 4.910 4.218 3.867 4.445 . 0 0 "[ . 1 . 2]" 1
534 1 44 THR HA 1 48 LYS HB3 . . 5.420 5.156 4.822 5.424 0.004 4 0 "[ . 1 . 2]" 1
535 1 44 THR HB 1 45 GLN H . . 3.450 3.141 3.016 3.361 . 0 0 "[ . 1 . 2]" 1
536 1 44 THR HB 1 45 GLN HA . . 4.620 4.444 4.331 4.522 . 0 0 "[ . 1 . 2]" 1
537 1 44 THR HB 1 45 GLN QG . . 5.220 4.038 3.522 4.768 . 0 0 "[ . 1 . 2]" 1
538 1 44 THR HB 1 46 VAL H . . 5.450 5.312 5.103 5.609 0.159 14 0 "[ . 1 . 2]" 1
539 1 44 THR HB 1 47 LEU QD . . 5.240 4.003 3.761 4.234 . 0 0 "[ . 1 . 2]" 1
540 1 44 THR MG 1 45 GLN H . . 3.800 3.765 3.619 3.861 0.061 16 0 "[ . 1 . 2]" 1
541 1 44 THR MG 1 45 GLN HA . . 4.330 3.635 3.472 3.777 . 0 0 "[ . 1 . 2]" 1
542 1 44 THR MG 1 45 GLN QB . . 5.500 4.779 4.138 4.924 . 0 0 "[ . 1 . 2]" 1
543 1 44 THR MG 1 45 GLN QG . . 5.130 4.235 3.771 4.983 . 0 0 "[ . 1 . 2]" 1
544 1 44 THR MG 1 47 LEU HB3 . . 5.500 5.407 4.538 5.682 0.182 18 0 "[ . 1 . 2]" 1
545 1 44 THR MG 1 47 LEU QD . . 3.570 2.280 1.851 3.009 . 0 0 "[ . 1 . 2]" 1
546 1 44 THR MG 1 48 LYS H . . 5.400 4.155 3.671 4.497 . 0 0 "[ . 1 . 2]" 1
547 1 44 THR MG 1 48 LYS HB3 . . 4.080 3.729 3.299 4.047 . 0 0 "[ . 1 . 2]" 1
548 1 44 THR MG 1 48 LYS HG2 . . 4.900 4.885 4.421 5.027 0.127 17 0 "[ . 1 . 2]" 1
549 1 44 THR MG 1 103 LEU QD . . 4.080 2.725 1.909 3.495 . 0 0 "[ . 1 . 2]" 1
550 1 44 THR MG 1 103 LEU HG . . 5.440 4.266 3.110 5.321 . 0 0 "[ . 1 . 2]" 1
551 1 45 GLN H 1 45 GLN QB . . 3.740 2.283 2.073 2.618 . 0 0 "[ . 1 . 2]" 1
552 1 45 GLN H 1 45 GLN HE21 . . 5.500 4.205 2.536 5.232 . 0 0 "[ . 1 . 2]" 1
553 1 45 GLN H 1 45 GLN QG . . 4.230 2.783 2.026 3.314 . 0 0 "[ . 1 . 2]" 1
554 1 45 GLN H 1 46 VAL H . . 3.640 2.446 2.255 2.807 . 0 0 "[ . 1 . 2]" 1
555 1 45 GLN H 1 46 VAL QG . . 4.730 3.498 3.207 4.025 . 0 0 "[ . 1 . 2]" 1
556 1 45 GLN H 1 47 LEU H . . 5.500 4.233 3.828 4.811 . 0 0 "[ . 1 . 2]" 1
557 1 45 GLN H 1 47 LEU QD . . 5.260 4.083 3.534 4.585 . 0 0 "[ . 1 . 2]" 1
558 1 45 GLN HA 1 45 GLN QG . . 3.780 2.690 2.155 3.368 . 0 0 "[ . 1 . 2]" 1
559 1 45 GLN HA 1 48 LYS H . . 3.890 3.518 3.275 3.763 . 0 0 "[ . 1 . 2]" 1
560 1 45 GLN HA 1 48 LYS HA . . 5.500 5.351 5.116 5.524 0.024 1 0 "[ . 1 . 2]" 1
561 1 45 GLN HA 1 48 LYS HB3 . . 3.530 2.507 2.277 2.745 . 0 0 "[ . 1 . 2]" 1
562 1 45 GLN HA 1 48 LYS QD . . 4.790 3.916 3.137 4.444 . 0 0 "[ . 1 . 2]" 1
563 1 45 GLN HA 1 49 ASP H . . 4.590 4.059 3.771 4.427 . 0 0 "[ . 1 . 2]" 1
564 1 45 GLN QB 1 46 VAL H . . 3.330 2.861 2.451 3.439 0.109 19 0 "[ . 1 . 2]" 1
565 1 45 GLN QB 1 46 VAL QG . . 5.300 3.597 3.056 3.991 . 0 0 "[ . 1 . 2]" 1
566 1 45 GLN HE21 1 46 VAL H . . 5.430 4.895 4.326 5.395 . 0 0 "[ . 1 . 2]" 1
567 1 45 GLN HE21 1 46 VAL QG . . 5.500 5.177 4.448 5.536 0.036 17 0 "[ . 1 . 2]" 1
568 1 45 GLN QG 1 46 VAL H . . 4.910 4.116 1.831 4.620 . 0 0 "[ . 1 . 2]" 1
569 1 46 VAL H 1 46 VAL QG . . 3.530 1.975 1.707 2.467 . 0 0 "[ . 1 . 2]" 1
570 1 46 VAL H 1 47 LEU HG . . 5.500 4.684 3.686 5.877 0.377 17 0 "[ . 1 . 2]" 1
571 1 46 VAL H 1 48 LYS H . . 4.930 3.708 3.448 3.861 . 0 0 "[ . 1 . 2]" 1
572 1 46 VAL H 1 49 ASP H . . 5.240 4.559 4.367 4.754 . 0 0 "[ . 1 . 2]" 1
573 1 46 VAL HA 1 48 LYS H . . 4.900 4.054 3.826 4.398 . 0 0 "[ . 1 . 2]" 1
574 1 46 VAL HA 1 49 ASP H . . 4.250 3.462 3.341 3.556 . 0 0 "[ . 1 . 2]" 1
575 1 46 VAL HA 1 49 ASP HA . . 5.350 5.367 5.073 5.516 0.166 20 0 "[ . 1 . 2]" 1
576 1 46 VAL HA 1 49 ASP QB . . 3.980 2.667 2.301 3.053 . 0 0 "[ . 1 . 2]" 1
577 1 46 VAL HA 1 50 ALA H . . 5.410 5.138 4.518 5.554 0.144 13 0 "[ . 1 . 2]" 1
578 1 46 VAL QG 1 47 LEU H . . 4.810 2.197 1.768 3.161 . 0 0 "[ . 1 . 2]" 1
579 1 46 VAL QG 1 47 LEU HG . . 5.500 4.025 3.004 5.379 . 0 0 "[ . 1 . 2]" 1
580 1 46 VAL QG 1 49 ASP H . . 4.680 4.252 4.139 4.395 . 0 0 "[ . 1 . 2]" 1
581 1 46 VAL QG 1 49 ASP QB . . 4.630 3.677 3.414 3.955 . 0 0 "[ . 1 . 2]" 1
582 1 47 LEU H 1 47 LEU HB2 . . 3.840 3.572 3.517 3.613 . 0 0 "[ . 1 . 2]" 1
583 1 47 LEU H 1 47 LEU HB3 . . 4.150 2.489 2.224 2.787 . 0 0 "[ . 1 . 2]" 1
584 1 47 LEU H 1 47 LEU QD . . 3.500 2.565 1.665 3.166 . 0 0 "[ . 1 . 2]" 1
585 1 47 LEU H 1 47 LEU HG . . 3.560 2.732 1.932 3.814 0.254 10 0 "[ . 1 . 2]" 1
586 1 47 LEU H 1 48 LYS H . . 3.410 2.519 2.364 2.709 . 0 0 "[ . 1 . 2]" 1
587 1 47 LEU H 1 49 ASP H . . 4.920 4.038 3.688 4.424 . 0 0 "[ . 1 . 2]" 1
588 1 47 LEU H 1 49 ASP QB . . 5.500 4.845 4.427 5.137 . 0 0 "[ . 1 . 2]" 1
589 1 47 LEU HA 1 48 LYS HA . . 4.640 4.664 4.644 4.685 0.045 4 0 "[ . 1 . 2]" 1
590 1 47 LEU HA 1 49 ASP H . . 5.190 4.184 3.952 4.654 . 0 0 "[ . 1 . 2]" 1
591 1 47 LEU HA 1 49 ASP QB . . 5.500 4.886 4.642 5.250 . 0 0 "[ . 1 . 2]" 1
592 1 47 LEU HA 1 50 ALA H . . 4.190 3.947 3.741 4.219 0.029 15 0 "[ . 1 . 2]" 1
593 1 47 LEU HB2 1 48 LYS H . . 4.090 4.105 3.858 4.359 0.269 13 0 "[ . 1 . 2]" 1
594 1 47 LEU HB3 1 48 LYS H . . 4.580 4.045 3.764 4.362 . 0 0 "[ . 1 . 2]" 1
595 1 47 LEU QD 1 48 LYS H . . 3.590 2.347 1.780 3.169 . 0 0 "[ . 1 . 2]" 1
596 1 47 LEU QD 1 48 LYS HA . . 4.810 2.592 2.312 2.867 . 0 0 "[ . 1 . 2]" 1
597 1 47 LEU QD 1 48 LYS HB2 . . 4.770 2.291 2.030 3.068 . 0 0 "[ . 1 . 2]" 1
598 1 47 LEU QD 1 48 LYS HG2 . . 4.810 4.000 3.633 4.396 . 0 0 "[ . 1 . 2]" 1
599 1 47 LEU QD 1 51 GLU HG3 . . 5.500 4.622 3.716 5.385 . 0 0 "[ . 1 . 2]" 1
600 1 47 LEU HG 1 48 LYS H . . 4.780 3.223 2.173 4.490 . 0 0 "[ . 1 . 2]" 1
601 1 48 LYS H 1 48 LYS HB3 . . 2.990 2.485 2.333 2.543 . 0 0 "[ . 1 . 2]" 1
602 1 48 LYS H 1 48 LYS QD . . 4.730 4.170 3.809 4.385 . 0 0 "[ . 1 . 2]" 1
603 1 48 LYS H 1 48 LYS QE . . 5.500 4.743 4.255 5.291 . 0 0 "[ . 1 . 2]" 1
604 1 48 LYS H 1 49 ASP H . . 3.230 2.294 2.228 2.416 . 0 0 "[ . 1 . 2]" 1
605 1 48 LYS H 1 49 ASP QB . . 5.330 3.987 3.916 4.147 . 0 0 "[ . 1 . 2]" 1
606 1 48 LYS H 1 50 ALA H . . 4.410 3.993 3.780 4.206 . 0 0 "[ . 1 . 2]" 1
607 1 48 LYS HA 1 48 LYS QD . . 4.070 3.547 3.406 3.771 . 0 0 "[ . 1 . 2]" 1
608 1 48 LYS HA 1 48 LYS QE . . 5.500 4.440 3.321 4.847 . 0 0 "[ . 1 . 2]" 1
609 1 48 LYS HA 1 48 LYS HG2 . . 3.770 2.420 2.364 2.587 . 0 0 "[ . 1 . 2]" 1
610 1 48 LYS HA 1 50 ALA H . . 4.720 3.682 3.421 3.901 . 0 0 "[ . 1 . 2]" 1
611 1 48 LYS HA 1 51 GLU H . . 4.360 3.739 3.448 3.974 . 0 0 "[ . 1 . 2]" 1
612 1 48 LYS HA 1 51 GLU HG2 . . 3.930 3.384 2.456 3.884 . 0 0 "[ . 1 . 2]" 1
613 1 48 LYS HA 1 51 GLU HG3 . . 4.420 2.784 2.151 3.305 . 0 0 "[ . 1 . 2]" 1
614 1 48 LYS HB3 1 48 LYS QD . . 3.860 2.283 2.069 2.512 . 0 0 "[ . 1 . 2]" 1
615 1 48 LYS HB3 1 48 LYS QE . . 4.340 2.684 2.076 3.832 . 0 0 "[ . 1 . 2]" 1
616 1 48 LYS HB3 1 49 ASP H . . 3.450 2.950 2.535 3.153 . 0 0 "[ . 1 . 2]" 1
617 1 48 LYS HB3 1 51 GLU HG3 . . 5.050 4.805 4.508 5.050 . 0 0 "[ . 1 . 2]" 1
618 1 48 LYS QD 1 49 ASP H . . 5.300 3.416 2.976 3.801 . 0 0 "[ . 1 . 2]" 1
619 1 48 LYS QD 1 49 ASP HA . . 4.740 2.933 2.749 3.183 . 0 0 "[ . 1 . 2]" 1
620 1 48 LYS QD 1 50 ALA H . . 4.970 4.739 4.590 4.838 . 0 0 "[ . 1 . 2]" 1
621 1 48 LYS QD 1 51 GLU H . . 5.090 4.214 3.742 4.702 . 0 0 "[ . 1 . 2]" 1
622 1 48 LYS QD 1 51 GLU HG3 . . 4.420 3.536 2.682 4.170 . 0 0 "[ . 1 . 2]" 1
623 1 48 LYS QD 1 52 SER H . . 5.500 4.985 4.699 5.358 . 0 0 "[ . 1 . 2]" 1
624 1 48 LYS HG2 1 49 ASP H . . 4.660 4.616 4.354 4.694 0.034 19 0 "[ . 1 . 2]" 1
625 1 48 LYS HG2 1 49 ASP HA . . 4.980 4.884 4.419 5.011 0.031 13 0 "[ . 1 . 2]" 1
626 1 48 LYS HG2 1 50 ALA H . . 5.500 5.285 4.965 5.555 0.055 10 0 "[ . 1 . 2]" 1
627 1 48 LYS HG2 1 51 GLU HG2 . . 5.500 3.953 3.486 4.494 . 0 0 "[ . 1 . 2]" 1
628 1 49 ASP H 1 49 ASP QB . . 3.620 2.107 2.047 2.255 . 0 0 "[ . 1 . 2]" 1
629 1 49 ASP H 1 50 ALA H . . 3.540 2.634 2.508 2.754 . 0 0 "[ . 1 . 2]" 1
630 1 49 ASP H 1 50 ALA MB . . 5.410 4.295 4.182 4.404 . 0 0 "[ . 1 . 2]" 1
631 1 49 ASP H 1 51 GLU H . . 4.770 4.225 4.067 4.335 . 0 0 "[ . 1 . 2]" 1
632 1 49 ASP HA 1 50 ALA MB . . 4.970 4.961 4.932 5.002 0.032 17 0 "[ . 1 . 2]" 1
633 1 49 ASP HA 1 51 GLU H . . 4.290 3.554 3.353 3.830 . 0 0 "[ . 1 . 2]" 1
634 1 49 ASP HA 1 52 SER HB3 . . 5.330 4.340 3.343 5.246 . 0 0 "[ . 1 . 2]" 1
635 1 49 ASP HA 1 53 ASP H . . 5.010 4.266 3.667 5.041 0.031 17 0 "[ . 1 . 2]" 1
636 1 49 ASP QB 1 50 ALA H . . 4.090 3.052 2.875 3.479 . 0 0 "[ . 1 . 2]" 1
637 1 50 ALA H 1 50 ALA MB . . 3.320 2.223 2.146 2.254 . 0 0 "[ . 1 . 2]" 1
638 1 50 ALA H 1 51 GLU H . . 3.580 2.609 2.483 2.738 . 0 0 "[ . 1 . 2]" 1
639 1 50 ALA H 1 51 GLU HG2 . . 5.500 4.281 3.942 4.840 . 0 0 "[ . 1 . 2]" 1
640 1 50 ALA H 1 52 SER H . . 5.280 4.297 4.144 4.703 . 0 0 "[ . 1 . 2]" 1
641 1 50 ALA H 1 53 ASP H . . 5.140 4.708 4.553 4.956 . 0 0 "[ . 1 . 2]" 1
642 1 50 ALA HA 1 52 SER H . . 5.270 3.716 3.395 4.438 . 0 0 "[ . 1 . 2]" 1
643 1 50 ALA HA 1 53 ASP H . . 4.020 3.161 2.833 3.860 . 0 0 "[ . 1 . 2]" 1
644 1 50 ALA HA 1 53 ASP QB . . 4.590 3.660 3.362 4.098 . 0 0 "[ . 1 . 2]" 1
645 1 50 ALA HA 1 56 LEU HB3 . . 4.780 3.929 2.981 4.475 . 0 0 "[ . 1 . 2]" 1
646 1 50 ALA HA 1 57 GLY H . . 4.590 3.395 3.070 3.922 . 0 0 "[ . 1 . 2]" 1
647 1 50 ALA MB 1 51 GLU H . . 4.540 3.044 2.868 3.381 . 0 0 "[ . 1 . 2]" 1
648 1 50 ALA MB 1 51 GLU HA . . 5.500 3.953 3.890 4.068 . 0 0 "[ . 1 . 2]" 1
649 1 50 ALA MB 1 51 GLU HG2 . . 5.500 3.592 3.382 3.987 . 0 0 "[ . 1 . 2]" 1
650 1 50 ALA MB 1 52 SER H . . 5.500 4.454 4.255 5.009 . 0 0 "[ . 1 . 2]" 1
651 1 50 ALA MB 1 53 ASP H . . 5.330 4.546 4.243 5.072 . 0 0 "[ . 1 . 2]" 1
652 1 50 ALA MB 1 53 ASP QB . . 5.500 4.796 4.553 5.121 . 0 0 "[ . 1 . 2]" 1
653 1 50 ALA MB 1 56 LEU HB3 . . 4.420 4.265 3.213 4.495 0.075 18 0 "[ . 1 . 2]" 1
654 1 50 ALA MB 1 57 GLY H . . 4.890 3.576 3.181 3.802 . 0 0 "[ . 1 . 2]" 1
655 1 50 ALA MB 1 57 GLY HA3 . . 4.730 1.988 1.899 2.243 . 0 0 "[ . 1 . 2]" 1
656 1 50 ALA MB 1 91 LEU H . . 5.500 5.403 5.023 5.523 0.023 13 0 "[ . 1 . 2]" 1
657 1 50 ALA MB 1 91 LEU HG . . 5.500 4.123 2.143 5.509 0.009 10 0 "[ . 1 . 2]" 1
658 1 50 ALA MB 1 92 ARG H . . 5.500 4.460 3.726 4.999 . 0 0 "[ . 1 . 2]" 1
659 1 50 ALA MB 1 92 ARG HB3 . . 4.340 3.390 1.959 4.455 0.115 18 0 "[ . 1 . 2]" 1
660 1 50 ALA MB 1 92 ARG QD . . 4.010 3.200 2.796 3.667 . 0 0 "[ . 1 . 2]" 1
661 1 51 GLU H 1 51 GLU HB2 . . 3.120 2.523 2.315 2.663 . 0 0 "[ . 1 . 2]" 1
662 1 51 GLU H 1 51 GLU HG2 . . 3.440 2.495 2.233 2.882 . 0 0 "[ . 1 . 2]" 1
663 1 51 GLU H 1 51 GLU HG3 . . 3.680 2.958 2.526 3.418 . 0 0 "[ . 1 . 2]" 1
664 1 51 GLU H 1 52 SER HA . . 5.210 5.169 4.988 5.269 0.059 20 0 "[ . 1 . 2]" 1
665 1 51 GLU H 1 52 SER HB3 . . 5.290 5.167 4.482 5.379 0.089 20 0 "[ . 1 . 2]" 1
666 1 51 GLU H 1 53 ASP H . . 4.210 3.871 3.623 4.081 . 0 0 "[ . 1 . 2]" 1
667 1 51 GLU HA 1 51 GLU HG2 . . 3.840 2.553 2.377 2.747 . 0 0 "[ . 1 . 2]" 1
668 1 51 GLU HA 1 51 GLU HG3 . . 4.130 3.721 3.547 3.790 . 0 0 "[ . 1 . 2]" 1
669 1 51 GLU HA 1 53 ASP H . . 5.500 4.825 4.696 5.019 . 0 0 "[ . 1 . 2]" 1
670 1 51 GLU HB2 1 52 SER H . . 3.840 3.071 2.449 3.316 . 0 0 "[ . 1 . 2]" 1
671 1 51 GLU HB2 1 52 SER HB2 . . 4.470 3.854 3.643 4.255 . 0 0 "[ . 1 . 2]" 1
672 1 51 GLU HB2 1 53 ASP H . . 5.330 5.019 4.406 5.231 . 0 0 "[ . 1 . 2]" 1
673 1 52 SER H 1 52 SER HB2 . . 4.180 2.728 2.488 3.118 . 0 0 "[ . 1 . 2]" 1
674 1 52 SER H 1 52 SER HB3 . . 4.070 2.879 2.352 3.138 . 0 0 "[ . 1 . 2]" 1
675 1 52 SER H 1 53 ASP H . . 3.230 1.976 1.875 2.193 . 0 0 "[ . 1 . 2]" 1
676 1 52 SER H 1 53 ASP HA . . 5.000 4.706 4.591 4.905 . 0 0 "[ . 1 . 2]" 1
677 1 52 SER H 1 53 ASP QB . . 5.290 4.093 3.843 4.626 . 0 0 "[ . 1 . 2]" 1
678 1 52 SER HB2 1 53 ASP H . . 4.720 3.706 3.472 4.103 . 0 0 "[ . 1 . 2]" 1
679 1 52 SER HB2 1 53 ASP QB . . 5.350 5.126 4.742 5.317 . 0 0 "[ . 1 . 2]" 1
680 1 52 SER HB3 1 53 ASP H . . 4.420 2.826 2.744 2.947 . 0 0 "[ . 1 . 2]" 1
681 1 52 SER HB3 1 53 ASP QB . . 5.470 3.768 3.517 3.935 . 0 0 "[ . 1 . 2]" 1
682 1 53 ASP H 1 53 ASP QB . . 3.600 2.408 2.185 2.971 . 0 0 "[ . 1 . 2]" 1
683 1 53 ASP H 1 54 GLU H . . 5.100 4.294 3.843 4.445 . 0 0 "[ . 1 . 2]" 1
684 1 53 ASP H 1 54 GLU HA . . 5.050 4.951 4.714 5.075 0.025 19 0 "[ . 1 . 2]" 1
685 1 53 ASP H 1 57 GLY H . . 5.500 5.298 5.110 5.503 0.003 1 0 "[ . 1 . 2]" 1
686 1 53 ASP HA 1 54 GLU HB2 . . 4.980 4.643 4.231 4.936 . 0 0 "[ . 1 . 2]" 1
687 1 53 ASP HA 1 54 GLU HB3 . . 4.510 4.558 4.420 5.026 0.516 5 1 "[ + 1 . 2]" 1
688 1 53 ASP QB 1 54 GLU H . . 5.320 3.449 3.147 3.816 . 0 0 "[ . 1 . 2]" 1
689 1 53 ASP QB 1 54 GLU HA . . 5.370 4.581 4.457 4.724 . 0 0 "[ . 1 . 2]" 1
690 1 53 ASP QB 1 55 VAL H . . 5.500 3.734 3.406 3.935 . 0 0 "[ . 1 . 2]" 1
691 1 53 ASP QB 1 55 VAL HB . . 5.240 3.853 3.514 4.015 . 0 0 "[ . 1 . 2]" 1
692 1 53 ASP QB 1 55 VAL QG . . 5.070 4.200 3.901 4.329 . 0 0 "[ . 1 . 2]" 1
693 1 53 ASP QB 1 56 LEU H . . 5.430 2.476 2.293 2.749 . 0 0 "[ . 1 . 2]" 1
694 1 53 ASP QB 1 56 LEU HB2 . . 5.150 2.186 1.963 2.784 . 0 0 "[ . 1 . 2]" 1
695 1 53 ASP QB 1 56 LEU HB3 . . 5.330 3.252 2.055 3.936 . 0 0 "[ . 1 . 2]" 1
696 1 53 ASP QB 1 57 GLY H . . 5.500 3.704 3.470 4.077 . 0 0 "[ . 1 . 2]" 1
697 1 54 GLU H 1 54 GLU HB3 . . 4.090 2.448 2.298 2.948 . 0 0 "[ . 1 . 2]" 1
698 1 54 GLU H 1 54 GLU HG2 . . 4.560 4.408 4.230 4.636 0.076 4 0 "[ . 1 . 2]" 1
699 1 54 GLU H 1 55 VAL H . . 4.740 2.611 2.470 2.886 . 0 0 "[ . 1 . 2]" 1
700 1 54 GLU H 1 55 VAL HA . . 5.500 5.211 5.088 5.446 . 0 0 "[ . 1 . 2]" 1
701 1 54 GLU H 1 55 VAL QG . . 5.500 3.953 3.789 4.333 . 0 0 "[ . 1 . 2]" 1
702 1 54 GLU H 1 57 GLY H . . 5.500 4.643 4.405 4.867 . 0 0 "[ . 1 . 2]" 1
703 1 54 GLU HA 1 54 GLU HG2 . . 3.540 3.048 2.594 3.750 0.210 11 0 "[ . 1 . 2]" 1
704 1 54 GLU HA 1 55 VAL QG . . 5.500 4.806 4.724 4.854 . 0 0 "[ . 1 . 2]" 1
705 1 54 GLU HA 1 57 GLY H . . 4.340 3.378 3.174 3.609 . 0 0 "[ . 1 . 2]" 1
706 1 54 GLU HA 1 58 LYS H . . 4.670 4.569 4.345 4.737 0.067 20 0 "[ . 1 . 2]" 1
707 1 54 GLU HA 1 92 ARG QD . . 5.090 2.418 1.953 2.948 . 0 0 "[ . 1 . 2]" 1
708 1 54 GLU HB2 1 55 VAL HA . . 5.500 5.567 5.400 5.609 0.109 1 0 "[ . 1 . 2]" 1
709 1 54 GLU HB2 1 55 VAL QG . . 5.030 4.692 4.254 4.847 . 0 0 "[ . 1 . 2]" 1
710 1 54 GLU HB2 1 92 ARG QD . . 4.850 4.084 3.804 4.590 . 0 0 "[ . 1 . 2]" 1
711 1 54 GLU HB3 1 54 GLU HG2 . . 2.840 2.547 2.212 2.899 0.059 13 0 "[ . 1 . 2]" 1
712 1 54 GLU HB3 1 55 VAL H . . 3.690 2.492 2.369 2.588 . 0 0 "[ . 1 . 2]" 1
713 1 54 GLU HB3 1 55 VAL HA . . 5.500 4.276 3.836 4.440 . 0 0 "[ . 1 . 2]" 1
714 1 54 GLU HB3 1 55 VAL QG . . 4.280 3.304 2.932 3.476 . 0 0 "[ . 1 . 2]" 1
715 1 54 GLU HB3 1 92 ARG QD . . 5.360 4.565 3.802 4.758 . 0 0 "[ . 1 . 2]" 1
716 1 54 GLU HG2 1 55 VAL H . . 4.200 3.675 3.119 4.280 0.080 3 0 "[ . 1 . 2]" 1
717 1 54 GLU HG2 1 55 VAL QG . . 4.640 3.979 3.269 4.521 . 0 0 "[ . 1 . 2]" 1
718 1 54 GLU HG2 1 58 LYS QG . . 5.500 2.821 2.151 3.697 . 0 0 "[ . 1 . 2]" 1
719 1 54 GLU HG2 1 92 ARG QD . . 4.040 3.171 2.353 4.396 0.356 10 0 "[ . 1 . 2]" 1
720 1 55 VAL H 1 55 VAL HB . . 3.110 2.590 2.517 2.698 . 0 0 "[ . 1 . 2]" 1
721 1 55 VAL H 1 55 VAL QG . . 3.290 2.075 1.916 2.277 . 0 0 "[ . 1 . 2]" 1
722 1 55 VAL H 1 56 LEU H . . 3.390 2.912 2.687 3.020 . 0 0 "[ . 1 . 2]" 1
723 1 55 VAL H 1 56 LEU HB2 . . 5.230 4.830 4.692 5.218 . 0 0 "[ . 1 . 2]" 1
724 1 55 VAL H 1 57 GLY H . . 4.360 3.908 3.806 4.030 . 0 0 "[ . 1 . 2]" 1
725 1 55 VAL H 1 58 LYS HD2 . . 5.500 5.211 3.371 6.110 0.610 4 1 "[ +. 1 . 2]" 1
726 1 55 VAL HA 1 55 VAL QG . . 3.060 2.097 2.049 2.151 . 0 0 "[ . 1 . 2]" 1
727 1 55 VAL HA 1 57 GLY H . . 5.500 4.037 3.892 4.228 . 0 0 "[ . 1 . 2]" 1
728 1 55 VAL HA 1 58 LYS H . . 4.530 3.507 3.099 3.889 . 0 0 "[ . 1 . 2]" 1
729 1 55 VAL HA 1 58 LYS HB2 . . 4.630 2.806 2.224 4.657 0.027 12 0 "[ . 1 . 2]" 1
730 1 55 VAL HA 1 58 LYS QG . . 5.030 3.619 1.949 4.160 . 0 0 "[ . 1 . 2]" 1
731 1 55 VAL HA 1 92 ARG QD . . 5.500 4.780 4.325 5.180 . 0 0 "[ . 1 . 2]" 1
732 1 55 VAL HB 1 56 LEU H . . 3.800 2.372 2.201 2.995 . 0 0 "[ . 1 . 2]" 1
733 1 55 VAL HB 1 57 GLY H . . 5.350 4.613 4.455 4.973 . 0 0 "[ . 1 . 2]" 1
734 1 55 VAL QG 1 56 LEU H . . 3.880 3.045 2.873 3.384 . 0 0 "[ . 1 . 2]" 1
735 1 55 VAL QG 1 56 LEU HA . . 3.550 3.325 3.184 3.485 . 0 0 "[ . 1 . 2]" 1
736 1 55 VAL QG 1 57 GLY H . . 4.720 4.302 4.177 4.394 . 0 0 "[ . 1 . 2]" 1
737 1 55 VAL QG 1 58 LYS H . . 5.500 4.163 3.951 4.386 . 0 0 "[ . 1 . 2]" 1
738 1 55 VAL QG 1 58 LYS HB2 . . 5.320 3.699 3.233 4.926 . 0 0 "[ . 1 . 2]" 1
739 1 56 LEU H 1 56 LEU HB2 . . 3.830 2.177 2.050 2.608 . 0 0 "[ . 1 . 2]" 1
740 1 56 LEU H 1 57 GLY H . . 3.630 2.593 2.352 2.731 . 0 0 "[ . 1 . 2]" 1
741 1 56 LEU H 1 58 LYS H . . 5.140 4.037 3.982 4.120 . 0 0 "[ . 1 . 2]" 1
742 1 56 LEU HA 1 58 LYS H . . 4.710 3.838 3.561 4.333 . 0 0 "[ . 1 . 2]" 1
743 1 56 LEU HA 1 59 MET H . . 4.640 4.566 4.075 4.683 0.043 10 0 "[ . 1 . 2]" 1
744 1 56 LEU HB2 1 57 GLY H . . 4.510 3.389 2.920 4.142 . 0 0 "[ . 1 . 2]" 1
745 1 56 LEU HB3 1 57 GLY H . . 5.500 3.438 2.962 3.839 . 0 0 "[ . 1 . 2]" 1
746 1 57 GLY H 1 58 LYS H . . 3.680 2.380 2.246 2.569 . 0 0 "[ . 1 . 2]" 1
747 1 57 GLY H 1 58 LYS HA . . 5.490 4.938 4.844 5.098 . 0 0 "[ . 1 . 2]" 1
748 1 57 GLY H 1 58 LYS HB2 . . 4.870 4.338 4.148 5.765 0.895 12 1 "[ . 1 + . 2]" 1
749 1 57 GLY H 1 59 MET H . . 4.740 4.359 3.826 4.580 . 0 0 "[ . 1 . 2]" 1
750 1 57 GLY H 1 91 LEU QD . . 5.500 4.714 4.049 5.357 . 0 0 "[ . 1 . 2]" 1
751 1 57 GLY H 1 92 ARG QD . . 3.660 3.204 2.780 3.640 . 0 0 "[ . 1 . 2]" 1
752 1 57 GLY HA2 1 91 LEU QD . . 4.100 2.580 1.947 3.092 . 0 0 "[ . 1 . 2]" 1
753 1 57 GLY HA2 1 92 ARG QD . . 4.050 3.673 3.426 4.387 0.337 4 0 "[ . 1 . 2]" 1
754 1 57 GLY HA3 1 58 LYS QG . . 5.500 4.404 4.213 4.584 . 0 0 "[ . 1 . 2]" 1
755 1 57 GLY HA3 1 91 LEU QD . . 5.500 3.864 3.168 4.404 . 0 0 "[ . 1 . 2]" 1
756 1 57 GLY HA3 1 92 ARG HB2 . . 3.790 3.847 2.315 4.725 0.935 17 2 "[ . 1- . + 2]" 1
757 1 57 GLY HA3 1 92 ARG HB3 . . 5.460 3.559 2.154 4.804 . 0 0 "[ . 1 . 2]" 1
758 1 58 LYS H 1 58 LYS HB2 . . 3.780 2.325 2.198 3.565 . 0 0 "[ . 1 . 2]" 1
759 1 58 LYS H 1 58 LYS HB3 . . 3.460 3.497 2.834 3.592 0.132 20 0 "[ . 1 . 2]" 1
760 1 58 LYS H 1 58 LYS QG . . 3.690 2.987 1.822 3.151 . 0 0 "[ . 1 . 2]" 1
761 1 58 LYS H 1 59 MET H . . 3.260 2.688 2.555 2.780 . 0 0 "[ . 1 . 2]" 1
762 1 58 LYS H 1 59 MET HB2 . . 4.950 4.500 4.227 4.742 . 0 0 "[ . 1 . 2]" 1
763 1 58 LYS H 1 91 LEU H . . 5.500 5.469 5.113 5.588 0.088 6 0 "[ . 1 . 2]" 1
764 1 58 LYS H 1 91 LEU QB . . 5.280 4.362 4.104 4.749 . 0 0 "[ . 1 . 2]" 1
765 1 58 LYS HA 1 58 LYS HD2 . . 4.770 4.656 4.355 4.753 . 0 0 "[ . 1 . 2]" 1
766 1 58 LYS HA 1 58 LYS QG . . 3.990 2.343 2.149 3.319 . 0 0 "[ . 1 . 2]" 1
767 1 58 LYS HA 1 60 LYS H . . 5.500 5.530 5.464 5.720 0.220 12 0 "[ . 1 . 2]" 1
768 1 58 LYS HA 1 91 LEU H . . 4.360 3.829 3.299 4.279 . 0 0 "[ . 1 . 2]" 1
769 1 58 LYS HA 1 92 ARG QD . . 4.130 3.129 2.665 3.792 . 0 0 "[ . 1 . 2]" 1
770 1 58 LYS HB2 1 58 LYS HD2 . . 3.840 3.388 2.898 3.664 . 0 0 "[ . 1 . 2]" 1
771 1 58 LYS HB2 1 59 MET H . . 4.570 3.982 3.744 4.144 . 0 0 "[ . 1 . 2]" 1
772 1 58 LYS HB2 1 92 ARG QD . . 5.130 3.989 3.606 4.590 . 0 0 "[ . 1 . 2]" 1
773 1 58 LYS QG 1 59 MET H . . 4.960 4.515 3.009 4.615 . 0 0 "[ . 1 . 2]" 1
774 1 58 LYS QG 1 92 ARG H . . 5.500 4.910 4.336 5.447 . 0 0 "[ . 1 . 2]" 1
775 1 58 LYS QG 1 92 ARG QD . . 3.690 2.221 1.938 2.957 . 0 0 "[ . 1 . 2]" 1
776 1 59 MET H 1 59 MET HB2 . . 3.020 2.647 2.333 2.872 . 0 0 "[ . 1 . 2]" 1
777 1 59 MET H 1 59 MET HG2 . . 4.700 4.465 4.255 4.691 . 0 0 "[ . 1 . 2]" 1
778 1 59 MET H 1 59 MET HG3 . . 4.580 4.421 4.357 4.554 . 0 0 "[ . 1 . 2]" 1
779 1 59 MET H 1 60 LYS H . . 5.000 4.441 4.408 4.515 . 0 0 "[ . 1 . 2]" 1
780 1 59 MET H 1 60 LYS HA . . 5.500 5.388 5.294 5.594 0.094 12 0 "[ . 1 . 2]" 1
781 1 59 MET H 1 90 ARG HA . . 5.500 5.505 5.205 5.572 0.072 5 0 "[ . 1 . 2]" 1
782 1 59 MET H 1 91 LEU H . . 4.710 3.526 3.064 3.845 . 0 0 "[ . 1 . 2]" 1
783 1 59 MET HA 1 59 MET HG2 . . 4.160 3.496 3.042 3.788 . 0 0 "[ . 1 . 2]" 1
784 1 59 MET HA 1 59 MET HG3 . . 3.970 2.494 2.256 2.699 . 0 0 "[ . 1 . 2]" 1
785 1 59 MET HA 1 60 LYS H . . 3.400 2.141 2.139 2.143 . 0 0 "[ . 1 . 2]" 1
786 1 59 MET HA 1 60 LYS QG . . 5.500 4.818 4.547 5.426 . 0 0 "[ . 1 . 2]" 1
787 1 59 MET HA 1 63 ALA MB . . 5.500 4.407 4.010 4.915 . 0 0 "[ . 1 . 2]" 1
788 1 59 MET HB2 1 59 MET ME . . 4.920 3.166 2.187 3.991 . 0 0 "[ . 1 . 2]" 1
789 1 59 MET HB2 1 60 LYS H . . 4.410 4.326 4.219 4.470 0.060 6 0 "[ . 1 . 2]" 1
790 1 59 MET HB2 1 91 LEU H . . 5.060 5.382 4.809 5.810 0.750 11 8 "[ ** * 1+ * * -*2]" 1
791 1 59 MET HB3 1 59 MET ME . . 4.200 3.476 2.010 4.286 0.086 12 0 "[ . 1 . 2]" 1
792 1 59 MET HB3 1 64 LEU QD . . 5.500 3.778 2.038 4.475 . 0 0 "[ . 1 . 2]" 1
793 1 59 MET ME 1 64 LEU HA . . 4.310 3.206 2.041 4.267 . 0 0 "[ . 1 . 2]" 1
794 1 59 MET HG2 1 60 LYS H . . 4.350 3.991 3.398 4.368 0.018 12 0 "[ . 1 . 2]" 1
795 1 59 MET HG2 1 63 ALA MB . . 4.350 3.491 2.923 4.025 . 0 0 "[ . 1 . 2]" 1
796 1 59 MET HG2 1 64 LEU H . . 5.030 3.672 2.815 4.287 . 0 0 "[ . 1 . 2]" 1
797 1 59 MET HG2 1 64 LEU HA . . 5.500 3.087 2.606 3.718 . 0 0 "[ . 1 . 2]" 1
798 1 59 MET HG2 1 64 LEU HB2 . . 4.880 2.580 1.997 3.527 . 0 0 "[ . 1 . 2]" 1
799 1 59 MET HG2 1 64 LEU QD . . 4.630 3.140 1.872 3.552 . 0 0 "[ . 1 . 2]" 1
800 1 59 MET HG3 1 60 LYS H . . 4.330 3.022 2.698 3.471 . 0 0 "[ . 1 . 2]" 1
801 1 59 MET HG3 1 63 ALA H . . 5.500 4.689 4.100 5.583 0.083 20 0 "[ . 1 . 2]" 1
802 1 59 MET HG3 1 63 ALA MB . . 4.560 2.831 2.099 3.567 . 0 0 "[ . 1 . 2]" 1
803 1 59 MET HG3 1 64 LEU H . . 5.500 4.268 3.838 5.026 . 0 0 "[ . 1 . 2]" 1
804 1 59 MET HG3 1 64 LEU HA . . 5.500 4.200 3.796 4.694 . 0 0 "[ . 1 . 2]" 1
805 1 59 MET HG3 1 64 LEU HB2 . . 4.290 3.962 3.402 4.305 0.015 2 0 "[ . 1 . 2]" 1
806 1 59 MET HG3 1 64 LEU QD . . 5.000 4.369 3.036 4.741 . 0 0 "[ . 1 . 2]" 1
807 1 60 LYS H 1 60 LYS QG . . 4.000 3.126 2.875 3.635 . 0 0 "[ . 1 . 2]" 1
808 1 60 LYS H 1 61 VAL H . . 5.440 4.598 4.510 4.645 . 0 0 "[ . 1 . 2]" 1
809 1 60 LYS H 1 62 SER H . . 5.500 5.487 5.112 5.595 0.095 19 0 "[ . 1 . 2]" 1
810 1 60 LYS H 1 63 ALA H . . 4.650 4.545 4.359 4.784 0.134 12 0 "[ . 1 . 2]" 1
811 1 60 LYS H 1 63 ALA MB . . 4.300 3.606 3.266 4.042 . 0 0 "[ . 1 . 2]" 1
812 1 60 LYS H 1 64 LEU H . . 5.500 5.226 4.517 5.566 0.066 12 0 "[ . 1 . 2]" 1
813 1 60 LYS H 1 90 ARG HA . . 5.310 4.715 4.368 4.944 . 0 0 "[ . 1 . 2]" 1
814 1 60 LYS H 1 91 LEU H . . 5.500 4.941 4.669 5.427 . 0 0 "[ . 1 . 2]" 1
815 1 60 LYS HA 1 60 LYS QE . . 3.930 2.728 2.016 3.103 . 0 0 "[ . 1 . 2]" 1
816 1 60 LYS HA 1 61 VAL HA . . 5.110 4.331 4.311 4.372 . 0 0 "[ . 1 . 2]" 1
817 1 60 LYS HA 1 61 VAL QG . . 4.810 3.366 3.296 3.441 . 0 0 "[ . 1 . 2]" 1
818 1 60 LYS HA 1 62 SER H . . 5.060 4.026 3.763 4.128 . 0 0 "[ . 1 . 2]" 1
819 1 60 LYS HA 1 63 ALA H . . 4.770 4.628 4.448 4.771 0.001 16 0 "[ . 1 . 2]" 1
820 1 60 LYS HA 1 90 ARG HA . . 3.820 2.312 2.053 2.648 . 0 0 "[ . 1 . 2]" 1
821 1 60 LYS HA 1 90 ARG HB3 . . 4.450 3.392 2.524 3.678 . 0 0 "[ . 1 . 2]" 1
822 1 60 LYS HA 1 90 ARG HG2 . . 5.170 3.656 3.149 4.270 . 0 0 "[ . 1 . 2]" 1
823 1 60 LYS HA 1 91 LEU H . . 5.500 3.822 3.578 4.490 . 0 0 "[ . 1 . 2]" 1
824 1 60 LYS HB2 1 60 LYS QE . . 5.020 3.875 3.442 4.247 . 0 0 "[ . 1 . 2]" 1
825 1 60 LYS HB2 1 61 VAL H . . 5.110 4.320 4.080 4.489 . 0 0 "[ . 1 . 2]" 1
826 1 60 LYS HB2 1 62 SER H . . 4.300 4.280 3.661 4.529 0.229 9 0 "[ . 1 . 2]" 1
827 1 60 LYS HB2 1 63 ALA H . . 4.030 3.534 3.082 3.857 . 0 0 "[ . 1 . 2]" 1
828 1 60 LYS HB2 1 63 ALA MB . . 5.030 3.145 2.265 3.545 . 0 0 "[ . 1 . 2]" 1
829 1 60 LYS HB3 1 62 SER H . . 4.520 2.641 2.265 2.836 . 0 0 "[ . 1 . 2]" 1
830 1 60 LYS HB3 1 63 ALA H . . 3.840 2.803 2.322 3.054 . 0 0 "[ . 1 . 2]" 1
831 1 60 LYS QE 1 61 VAL H . . 5.500 2.803 2.142 3.432 . 0 0 "[ . 1 . 2]" 1
832 1 60 LYS QE 1 61 VAL QG . . 4.420 2.635 2.108 3.811 . 0 0 "[ . 1 . 2]" 1
833 1 60 LYS QE 1 62 SER H . . 4.960 3.371 1.937 4.845 . 0 0 "[ . 1 . 2]" 1
834 1 60 LYS QE 1 88 THR HA . . 3.530 2.140 1.942 3.450 . 0 0 "[ . 1 . 2]" 1
835 1 60 LYS QE 1 88 THR MG . . 5.500 3.987 3.373 5.035 . 0 0 "[ . 1 . 2]" 1
836 1 60 LYS QE 1 90 ARG HA . . 3.810 3.405 2.979 3.710 . 0 0 "[ . 1 . 2]" 1
837 1 60 LYS QE 1 90 ARG HG2 . . 4.890 3.825 2.246 4.619 . 0 0 "[ . 1 . 2]" 1
838 1 60 LYS QG 1 61 VAL H . . 5.190 3.589 3.407 3.751 . 0 0 "[ . 1 . 2]" 1
839 1 60 LYS QG 1 61 VAL QG . . 4.600 4.020 3.842 4.133 . 0 0 "[ . 1 . 2]" 1
840 1 60 LYS QG 1 62 SER H . . 5.350 4.396 3.773 4.581 . 0 0 "[ . 1 . 2]" 1
841 1 60 LYS QG 1 63 ALA H . . 5.500 4.833 4.454 4.938 . 0 0 "[ . 1 . 2]" 1
842 1 60 LYS QG 1 90 ARG H . . 5.500 5.343 5.073 5.406 . 0 0 "[ . 1 . 2]" 1
843 1 60 LYS QG 1 90 ARG HA . . 5.500 3.602 3.412 4.532 . 0 0 "[ . 1 . 2]" 1
844 1 61 VAL H 1 61 VAL HB . . 4.030 3.615 3.608 3.624 . 0 0 "[ . 1 . 2]" 1
845 1 61 VAL H 1 61 VAL QG . . 3.380 1.860 1.810 1.911 . 0 0 "[ . 1 . 2]" 1
846 1 61 VAL H 1 62 SER H . . 4.340 2.764 2.526 2.838 . 0 0 "[ . 1 . 2]" 1
847 1 61 VAL H 1 63 ALA H . . 5.320 4.341 3.938 4.533 . 0 0 "[ . 1 . 2]" 1
848 1 61 VAL H 1 64 LEU H . . 5.500 4.644 4.512 4.777 . 0 0 "[ . 1 . 2]" 1
849 1 61 VAL H 1 90 ARG HA . . 4.230 2.534 2.136 2.842 . 0 0 "[ . 1 . 2]" 1
850 1 61 VAL HA 1 63 ALA H . . 5.350 4.197 3.895 4.513 . 0 0 "[ . 1 . 2]" 1
851 1 61 VAL HA 1 64 LEU H . . 4.220 3.119 2.916 3.438 . 0 0 "[ . 1 . 2]" 1
852 1 61 VAL HA 1 64 LEU HB2 . . 4.430 2.862 1.987 3.831 . 0 0 "[ . 1 . 2]" 1
853 1 61 VAL HA 1 64 LEU HB3 . . 4.150 2.193 1.928 2.594 . 0 0 "[ . 1 . 2]" 1
854 1 61 VAL HA 1 65 LEU H . . 4.900 3.658 3.094 4.170 . 0 0 "[ . 1 . 2]" 1
855 1 61 VAL HA 1 65 LEU QD . . 3.850 3.186 2.767 3.779 . 0 0 "[ . 1 . 2]" 1
856 1 61 VAL HA 1 90 ARG HA . . 5.500 4.468 3.929 4.798 . 0 0 "[ . 1 . 2]" 1
857 1 61 VAL HA 1 91 LEU H . . 5.220 5.170 4.507 5.317 0.097 6 0 "[ . 1 . 2]" 1
858 1 61 VAL HB 1 62 SER H . . 3.850 3.734 3.607 3.923 0.073 16 0 "[ . 1 . 2]" 1
859 1 61 VAL HB 1 65 LEU H . . 4.610 4.396 4.022 4.670 0.060 19 0 "[ . 1 . 2]" 1
860 1 61 VAL QG 1 62 SER H . . 4.450 2.088 1.895 2.389 . 0 0 "[ . 1 . 2]" 1
861 1 61 VAL QG 1 62 SER HA . . 5.500 3.204 2.957 3.320 . 0 0 "[ . 1 . 2]" 1
862 1 61 VAL QG 1 62 SER HB2 . . 5.500 3.876 2.901 4.634 . 0 0 "[ . 1 . 2]" 1
863 1 61 VAL QG 1 62 SER HB3 . . 4.010 3.685 3.151 4.571 0.561 15 2 "[ . 1 - + 2]" 1
864 1 61 VAL QG 1 65 LEU QD . . 5.500 2.904 2.534 3.221 . 0 0 "[ . 1 . 2]" 1
865 1 61 VAL QG 1 80 MET ME . . 4.410 2.057 1.764 2.980 . 0 0 "[ . 1 . 2]" 1
866 1 61 VAL QG 1 80 MET QG . . 5.020 3.375 2.283 4.028 . 0 0 "[ . 1 . 2]" 1
867 1 61 VAL QG 1 87 PRO HA . . 5.090 3.511 3.181 3.723 . 0 0 "[ . 1 . 2]" 1
868 1 61 VAL QG 1 89 ARG H . . 4.350 2.675 2.292 3.351 . 0 0 "[ . 1 . 2]" 1
869 1 61 VAL QG 1 89 ARG HA . . 5.500 3.741 3.533 4.053 . 0 0 "[ . 1 . 2]" 1
870 1 61 VAL QG 1 89 ARG HB2 . . 4.670 3.148 2.834 3.813 . 0 0 "[ . 1 . 2]" 1
871 1 61 VAL QG 1 89 ARG HB3 . . 4.740 1.961 1.816 2.599 . 0 0 "[ . 1 . 2]" 1
872 1 61 VAL QG 1 90 ARG H . . 5.190 3.546 3.222 3.838 . 0 0 "[ . 1 . 2]" 1
873 1 61 VAL QG 1 90 ARG HA . . 4.240 2.678 1.926 3.057 . 0 0 "[ . 1 . 2]" 1
874 1 61 VAL QG 1 91 LEU H . . 4.680 3.835 3.163 4.179 . 0 0 "[ . 1 . 2]" 1
875 1 62 SER H 1 62 SER HB2 . . 3.730 2.995 2.087 3.587 . 0 0 "[ . 1 . 2]" 1
876 1 62 SER H 1 62 SER HB3 . . 4.150 2.627 2.082 3.585 . 0 0 "[ . 1 . 2]" 1
877 1 62 SER H 1 63 ALA H . . 3.940 2.733 2.417 2.838 . 0 0 "[ . 1 . 2]" 1
878 1 62 SER H 1 63 ALA HA . . 5.500 5.342 5.092 5.413 . 0 0 "[ . 1 . 2]" 1
879 1 62 SER H 1 63 ALA MB . . 5.320 4.448 4.103 4.562 . 0 0 "[ . 1 . 2]" 1
880 1 62 SER H 1 64 LEU H . . 5.140 3.843 3.565 4.113 . 0 0 "[ . 1 . 2]" 1
881 1 62 SER H 1 65 LEU H . . 5.500 5.141 4.760 5.514 0.014 4 0 "[ . 1 . 2]" 1
882 1 62 SER H 1 80 MET ME . . 5.500 3.763 3.175 4.600 . 0 0 "[ . 1 . 2]" 1
883 1 62 SER H 1 89 ARG H . . 5.500 5.390 4.873 5.597 0.097 20 0 "[ . 1 . 2]" 1
884 1 62 SER H 1 90 ARG HA . . 5.500 5.228 4.928 5.512 0.012 15 0 "[ . 1 . 2]" 1
885 1 62 SER HA 1 65 LEU HB2 . . 5.280 4.201 3.564 4.906 . 0 0 "[ . 1 . 2]" 1
886 1 62 SER HB2 1 63 ALA H . . 4.720 3.696 2.771 4.224 . 0 0 "[ . 1 . 2]" 1
887 1 62 SER HB2 1 63 ALA MB . . 5.500 4.739 3.824 5.212 . 0 0 "[ . 1 . 2]" 1
888 1 62 SER HB2 1 76 ALA MB . . 5.120 4.619 3.634 5.521 0.401 12 0 "[ . 1 . 2]" 1
889 1 62 SER HB2 1 80 MET ME . . 4.810 4.155 2.250 5.011 0.201 7 0 "[ . 1 . 2]" 1
890 1 62 SER HB3 1 63 ALA H . . 5.160 3.370 2.537 4.004 . 0 0 "[ . 1 . 2]" 1
891 1 62 SER HB3 1 76 ALA MB . . 5.500 4.906 4.156 5.527 0.027 2 0 "[ . 1 . 2]" 1
892 1 62 SER HB3 1 80 MET ME . . 4.980 4.196 3.149 4.983 0.003 2 0 "[ . 1 . 2]" 1
893 1 63 ALA H 1 63 ALA MB . . 3.390 2.216 2.085 2.310 . 0 0 "[ . 1 . 2]" 1
894 1 63 ALA H 1 64 LEU H . . 3.460 2.306 2.252 2.382 . 0 0 "[ . 1 . 2]" 1
895 1 63 ALA H 1 64 LEU HA . . 4.930 4.898 4.825 4.981 0.051 1 0 "[ . 1 . 2]" 1
896 1 63 ALA H 1 65 LEU H . . 4.800 4.594 4.240 4.807 0.007 4 0 "[ . 1 . 2]" 1
897 1 63 ALA H 1 66 GLU H . . 5.500 4.955 4.508 5.280 . 0 0 "[ . 1 . 2]" 1
898 1 63 ALA HA 1 65 LEU H . . 5.290 4.918 4.647 5.277 . 0 0 "[ . 1 . 2]" 1
899 1 63 ALA HA 1 66 GLU H . . 3.970 3.791 3.364 4.007 0.037 20 0 "[ . 1 . 2]" 1
900 1 63 ALA HA 1 66 GLU QB . . 4.230 2.575 2.080 3.576 . 0 0 "[ . 1 . 2]" 1
901 1 63 ALA HA 1 67 ALA H . . 4.820 4.245 3.853 4.844 0.024 20 0 "[ . 1 . 2]" 1
902 1 63 ALA MB 1 64 LEU H . . 3.910 3.009 2.661 3.135 . 0 0 "[ . 1 . 2]" 1
903 1 64 LEU H 1 64 LEU HB2 . . 3.330 2.652 2.169 2.968 . 0 0 "[ . 1 . 2]" 1
904 1 64 LEU H 1 64 LEU HB3 . . 3.530 2.419 2.273 2.905 . 0 0 "[ . 1 . 2]" 1
905 1 64 LEU H 1 64 LEU QD . . 4.330 3.631 3.335 3.806 . 0 0 "[ . 1 . 2]" 1
906 1 64 LEU H 1 64 LEU HG . . 4.950 4.514 4.235 4.657 . 0 0 "[ . 1 . 2]" 1
907 1 64 LEU H 1 65 LEU H . . 3.490 2.787 2.531 3.067 . 0 0 "[ . 1 . 2]" 1
908 1 64 LEU H 1 66 GLU H . . 4.940 3.972 3.455 4.334 . 0 0 "[ . 1 . 2]" 1
909 1 64 LEU H 1 66 GLU QB . . 5.500 4.615 4.295 5.109 . 0 0 "[ . 1 . 2]" 1
910 1 64 LEU HA 1 64 LEU QD . . 4.090 2.041 1.908 2.275 . 0 0 "[ . 1 . 2]" 1
911 1 64 LEU HA 1 64 LEU HG . . 3.870 3.589 3.385 3.747 . 0 0 "[ . 1 . 2]" 1
912 1 64 LEU HA 1 67 ALA H . . 4.400 3.731 3.492 3.992 . 0 0 "[ . 1 . 2]" 1
913 1 64 LEU HA 1 67 ALA MB . . 3.780 2.792 2.461 3.300 . 0 0 "[ . 1 . 2]" 1
914 1 64 LEU HB2 1 65 LEU H . . 4.120 3.675 3.281 3.858 . 0 0 "[ . 1 . 2]" 1
915 1 64 LEU HB3 1 65 LEU H . . 4.160 2.210 2.001 2.447 . 0 0 "[ . 1 . 2]" 1
916 1 64 LEU HB3 1 65 LEU QD . . 4.410 2.893 2.098 3.667 . 0 0 "[ . 1 . 2]" 1
917 1 64 LEU QD 1 65 LEU H . . 4.040 2.865 2.418 3.537 . 0 0 "[ . 1 . 2]" 1
918 1 64 LEU QD 1 65 LEU HA . . 3.920 2.851 2.301 3.759 . 0 0 "[ . 1 . 2]" 1
919 1 64 LEU QD 1 65 LEU QD . . 4.760 2.438 1.667 3.677 . 0 0 "[ . 1 . 2]" 1
920 1 64 LEU QD 1 67 ALA H . . 4.540 4.057 3.748 4.459 . 0 0 "[ . 1 . 2]" 1
921 1 64 LEU QD 1 67 ALA MB . . 3.770 3.078 2.620 3.480 . 0 0 "[ . 1 . 2]" 1
922 1 64 LEU HG 1 65 LEU H . . 4.440 3.866 2.725 4.517 0.077 7 0 "[ . 1 . 2]" 1
923 1 64 LEU HG 1 65 LEU HA . . 5.250 4.596 3.118 5.442 0.192 9 0 "[ . 1 . 2]" 1
924 1 64 LEU HG 1 65 LEU QD . . 4.560 3.625 1.949 4.411 . 0 0 "[ . 1 . 2]" 1
925 1 65 LEU H 1 65 LEU HB2 . . 3.370 2.597 2.322 2.785 . 0 0 "[ . 1 . 2]" 1
926 1 65 LEU H 1 65 LEU QD . . 3.740 2.301 1.718 2.925 . 0 0 "[ . 1 . 2]" 1
927 1 65 LEU H 1 65 LEU HG . . 3.050 2.796 1.844 3.842 0.792 19 7 "[ *** -1* . *+2]" 1
928 1 65 LEU H 1 66 GLU H . . 3.780 2.744 2.479 3.008 . 0 0 "[ . 1 . 2]" 1
929 1 65 LEU H 1 66 GLU HA . . 5.500 5.327 5.102 5.524 0.024 12 0 "[ . 1 . 2]" 1
930 1 65 LEU H 1 67 ALA H . . 4.650 3.948 3.765 4.237 . 0 0 "[ . 1 . 2]" 1
931 1 65 LEU H 1 67 ALA MB . . 4.810 4.644 4.443 4.897 0.087 20 0 "[ . 1 . 2]" 1
932 1 65 LEU H 1 68 LEU H . . 5.300 5.278 4.811 5.477 0.177 19 0 "[ . 1 . 2]" 1
933 1 65 LEU H 1 76 ALA MB . . 5.210 3.841 3.575 4.124 . 0 0 "[ . 1 . 2]" 1
934 1 65 LEU HA 1 65 LEU QD . . 4.180 2.445 1.902 3.086 . 0 0 "[ . 1 . 2]" 1
935 1 65 LEU HA 1 67 ALA H . . 4.620 3.813 3.628 4.115 . 0 0 "[ . 1 . 2]" 1
936 1 65 LEU HA 1 68 LEU H . . 4.510 3.614 3.285 3.826 . 0 0 "[ . 1 . 2]" 1
937 1 65 LEU HA 1 68 LEU HB2 . . 5.330 3.382 2.584 4.021 . 0 0 "[ . 1 . 2]" 1
938 1 65 LEU HA 1 68 LEU QD . . 4.270 2.474 1.854 2.993 . 0 0 "[ . 1 . 2]" 1
939 1 65 LEU HB2 1 65 LEU QD . . 3.130 2.044 1.886 2.356 . 0 0 "[ . 1 . 2]" 1
940 1 65 LEU HB2 1 66 GLU H . . 3.790 2.491 2.186 2.945 . 0 0 "[ . 1 . 2]" 1
941 1 65 LEU HB2 1 66 GLU HA . . 4.710 4.154 3.932 4.562 . 0 0 "[ . 1 . 2]" 1
942 1 65 LEU HB2 1 76 ALA HA . . 4.310 3.072 2.258 3.723 . 0 0 "[ . 1 . 2]" 1
943 1 65 LEU HB2 1 76 ALA MB . . 3.630 1.973 1.887 2.295 . 0 0 "[ . 1 . 2]" 1
944 1 65 LEU HB3 1 66 GLU H . . 4.860 3.628 3.371 3.888 . 0 0 "[ . 1 . 2]" 1
945 1 65 LEU HB3 1 76 ALA H . . 5.500 4.551 3.997 5.047 . 0 0 "[ . 1 . 2]" 1
946 1 65 LEU HB3 1 76 ALA HA . . 5.440 2.980 2.456 3.707 . 0 0 "[ . 1 . 2]" 1
947 1 65 LEU HB3 1 76 ALA MB . . 4.680 2.899 2.235 3.461 . 0 0 "[ . 1 . 2]" 1
948 1 65 LEU QD 1 66 GLU H . . 4.800 3.531 3.007 4.088 . 0 0 "[ . 1 . 2]" 1
949 1 65 LEU QD 1 76 ALA HA . . 5.440 2.682 1.940 3.584 . 0 0 "[ . 1 . 2]" 1
950 1 65 LEU QD 1 79 ILE H . . 5.500 4.373 3.527 5.036 . 0 0 "[ . 1 . 2]" 1
951 1 65 LEU QD 1 79 ILE HB . . 5.500 2.647 1.878 3.419 . 0 0 "[ . 1 . 2]" 1
952 1 65 LEU QD 1 80 MET H . . 5.500 4.214 3.415 5.008 . 0 0 "[ . 1 . 2]" 1
953 1 65 LEU QD 1 80 MET ME . . 5.500 2.864 1.733 4.995 . 0 0 "[ . 1 . 2]" 1
954 1 65 LEU QD 1 80 MET QG . . 4.970 2.868 2.357 3.602 . 0 0 "[ . 1 . 2]" 1
955 1 66 GLU H 1 66 GLU QB . . 3.150 2.304 2.225 2.614 . 0 0 "[ . 1 . 2]" 1
956 1 66 GLU H 1 67 ALA H . . 3.440 2.666 2.574 2.819 . 0 0 "[ . 1 . 2]" 1
957 1 66 GLU H 1 67 ALA MB . . 4.520 4.291 4.144 4.489 . 0 0 "[ . 1 . 2]" 1
958 1 66 GLU H 1 68 LEU H . . 4.850 4.213 4.031 4.379 . 0 0 "[ . 1 . 2]" 1
959 1 66 GLU H 1 68 LEU QD . . 5.320 4.668 4.017 5.175 . 0 0 "[ . 1 . 2]" 1
960 1 66 GLU H 1 72 GLY QA . . 5.500 4.628 4.387 5.066 . 0 0 "[ . 1 . 2]" 1
961 1 66 GLU H 1 73 LYS H . . 5.500 5.547 5.286 5.775 0.275 12 0 "[ . 1 . 2]" 1
962 1 66 GLU H 1 76 ALA H . . 5.500 5.346 4.909 5.530 0.030 1 0 "[ . 1 . 2]" 1
963 1 66 GLU H 1 76 ALA MB . . 4.420 3.052 2.583 3.369 . 0 0 "[ . 1 . 2]" 1
964 1 66 GLU HA 1 67 ALA HA . . 5.370 4.743 4.672 4.789 . 0 0 "[ . 1 . 2]" 1
965 1 66 GLU HA 1 67 ALA MB . . 5.110 4.962 4.929 5.015 . 0 0 "[ . 1 . 2]" 1
966 1 66 GLU HA 1 68 LEU H . . 4.870 3.698 3.440 4.365 . 0 0 "[ . 1 . 2]" 1
967 1 66 GLU HA 1 71 VAL H . . 5.500 5.180 4.760 5.522 0.022 1 0 "[ . 1 . 2]" 1
968 1 66 GLU HA 1 71 VAL QG . . 4.500 2.784 2.375 3.344 . 0 0 "[ . 1 . 2]" 1
969 1 66 GLU HA 1 72 GLY H . . 4.320 3.937 3.699 4.164 . 0 0 "[ . 1 . 2]" 1
970 1 66 GLU HA 1 72 GLY HA2 . . 4.530 2.152 1.960 2.535 . 0 0 "[ . 1 . 2]" 1
971 1 66 GLU HA 1 73 LYS H . . 5.500 3.933 3.676 4.104 . 0 0 "[ . 1 . 2]" 1
972 1 66 GLU HA 1 73 LYS HA . . 4.390 4.238 3.564 4.488 0.098 12 0 "[ . 1 . 2]" 1
973 1 66 GLU HA 1 76 ALA H . . 5.500 4.713 4.420 5.075 . 0 0 "[ . 1 . 2]" 1
974 1 66 GLU HA 1 76 ALA MB . . 4.200 3.659 3.227 4.163 . 0 0 "[ . 1 . 2]" 1
975 1 66 GLU QB 1 67 ALA H . . 3.570 3.046 2.687 3.543 . 0 0 "[ . 1 . 2]" 1
976 1 66 GLU QB 1 67 ALA HA . . 4.760 4.284 3.899 4.383 . 0 0 "[ . 1 . 2]" 1
977 1 66 GLU QB 1 72 GLY HA2 . . 4.900 3.038 2.565 3.575 . 0 0 "[ . 1 . 2]" 1
978 1 66 GLU QB 1 72 GLY HA3 . . 5.500 4.188 3.678 4.623 . 0 0 "[ . 1 . 2]" 1
979 1 66 GLU QB 1 73 LYS H . . 5.500 2.974 2.400 3.553 . 0 0 "[ . 1 . 2]" 1
980 1 66 GLU QB 1 73 LYS HA . . 5.140 2.588 1.963 3.912 . 0 0 "[ . 1 . 2]" 1
981 1 66 GLU QB 1 76 ALA MB . . 3.990 3.297 2.904 3.727 . 0 0 "[ . 1 . 2]" 1
982 1 67 ALA H 1 67 ALA MB . . 3.110 2.170 2.033 2.247 . 0 0 "[ . 1 . 2]" 1
983 1 67 ALA H 1 68 LEU H . . 3.170 2.516 2.339 2.599 . 0 0 "[ . 1 . 2]" 1
984 1 67 ALA H 1 68 LEU HA . . 5.220 5.079 4.888 5.191 . 0 0 "[ . 1 . 2]" 1
985 1 67 ALA H 1 68 LEU QD . . 4.540 3.530 3.031 4.289 . 0 0 "[ . 1 . 2]" 1
986 1 67 ALA MB 1 68 LEU H . . 4.080 3.061 2.607 3.412 . 0 0 "[ . 1 . 2]" 1
987 1 67 ALA MB 1 68 LEU HB2 . . 5.500 4.648 4.248 5.174 . 0 0 "[ . 1 . 2]" 1
988 1 68 LEU H 1 68 LEU HB2 . . 3.520 2.291 2.068 2.787 . 0 0 "[ . 1 . 2]" 1
989 1 68 LEU H 1 68 LEU HB3 . . 3.840 3.503 3.345 3.614 . 0 0 "[ . 1 . 2]" 1
990 1 68 LEU H 1 68 LEU QD . . 3.780 2.465 1.905 2.975 . 0 0 "[ . 1 . 2]" 1
991 1 68 LEU H 1 68 LEU HG . . 4.710 3.825 1.983 4.581 . 0 0 "[ . 1 . 2]" 1
992 1 68 LEU H 1 69 PRO HD2 . . 5.270 4.786 4.734 4.835 . 0 0 "[ . 1 . 2]" 1
993 1 68 LEU H 1 69 PRO HD3 . . 5.440 5.033 4.929 5.076 . 0 0 "[ . 1 . 2]" 1
994 1 68 LEU H 1 71 VAL H . . 5.500 5.167 4.400 5.501 0.001 12 0 "[ . 1 . 2]" 1
995 1 68 LEU H 1 71 VAL HB . . 5.500 4.528 3.323 5.771 0.271 20 0 "[ . 1 . 2]" 1
996 1 68 LEU H 1 71 VAL QG . . 4.610 3.255 2.580 3.961 . 0 0 "[ . 1 . 2]" 1
997 1 68 LEU HA 1 68 LEU QD . . 3.250 2.293 1.911 2.637 . 0 0 "[ . 1 . 2]" 1
998 1 68 LEU HA 1 69 PRO HD2 . . 3.690 2.384 2.194 2.469 . 0 0 "[ . 1 . 2]" 1
999 1 68 LEU HA 1 69 PRO HD3 . . 3.700 2.297 2.254 2.329 . 0 0 "[ . 1 . 2]" 1
1000 1 68 LEU HA 1 69 PRO HG2 . . 4.770 4.500 4.347 4.569 . 0 0 "[ . 1 . 2]" 1
1001 1 68 LEU HB2 1 69 PRO HD2 . . 5.150 3.726 3.287 4.116 . 0 0 "[ . 1 . 2]" 1
1002 1 68 LEU HB2 1 71 VAL HB . . 5.500 3.308 1.890 4.749 . 0 0 "[ . 1 . 2]" 1
1003 1 68 LEU HB2 1 71 VAL QG . . 4.900 2.383 1.913 3.394 . 0 0 "[ . 1 . 2]" 1
1004 1 68 LEU HB3 1 69 PRO HD2 . . 4.620 2.261 1.970 2.967 . 0 0 "[ . 1 . 2]" 1
1005 1 68 LEU HB3 1 69 PRO HD3 . . 5.500 3.650 3.375 4.197 . 0 0 "[ . 1 . 2]" 1
1006 1 68 LEU HB3 1 71 VAL H . . 5.010 4.488 2.832 5.408 0.398 12 0 "[ . 1 . 2]" 1
1007 1 68 LEU HB3 1 71 VAL HB . . 5.500 3.700 2.586 4.433 . 0 0 "[ . 1 . 2]" 1
1008 1 68 LEU HB3 1 71 VAL QG . . 4.550 2.628 2.027 3.688 . 0 0 "[ . 1 . 2]" 1
1009 1 68 LEU QD 1 69 PRO HD2 . . 4.010 2.798 1.899 3.273 . 0 0 "[ . 1 . 2]" 1
1010 1 68 LEU QD 1 69 PRO HD3 . . 4.390 3.551 2.605 4.041 . 0 0 "[ . 1 . 2]" 1
1011 1 68 LEU HG 1 69 PRO HD2 . . 5.500 3.183 2.005 4.808 . 0 0 "[ . 1 . 2]" 1
1012 1 69 PRO HA 1 70 LYS HA . . 5.140 4.428 4.376 4.531 . 0 0 "[ . 1 . 2]" 1
1013 1 69 PRO HA 1 70 LYS HB2 . . 4.720 4.490 4.250 5.290 0.570 19 1 "[ . 1 . +2]" 1
1014 1 69 PRO HA 1 71 VAL H . . 4.480 3.320 3.184 4.068 . 0 0 "[ . 1 . 2]" 1
1015 1 69 PRO HA 1 71 VAL QG . . 5.500 4.399 3.821 5.505 0.005 15 0 "[ . 1 . 2]" 1
1016 1 69 PRO HB2 1 70 LYS HB2 . . 4.280 3.323 3.179 4.462 0.182 19 0 "[ . 1 . 2]" 1
1017 1 69 PRO HB2 1 71 VAL H . . 5.500 4.881 4.778 5.484 . 0 0 "[ . 1 . 2]" 1
1018 1 69 PRO HD2 1 71 VAL H . . 5.500 5.299 4.592 5.516 0.016 8 0 "[ . 1 . 2]" 1
1019 1 69 PRO HG2 1 70 LYS HB2 . . 4.560 4.078 3.286 4.435 . 0 0 "[ . 1 . 2]" 1
1020 1 69 PRO HG2 1 71 VAL H . . 5.500 5.349 5.135 5.438 . 0 0 "[ . 1 . 2]" 1
1021 1 70 LYS H 1 71 VAL H . . 4.160 2.565 1.986 2.623 . 0 0 "[ . 1 . 2]" 1
1022 1 70 LYS H 1 71 VAL QG . . 5.500 4.171 2.859 4.497 . 0 0 "[ . 1 . 2]" 1
1023 1 70 LYS HB2 1 71 VAL H . . 4.780 4.172 4.029 4.288 . 0 0 "[ . 1 . 2]" 1
1024 1 70 LYS HB3 1 71 VAL H . . 4.430 3.902 3.831 4.003 . 0 0 "[ . 1 . 2]" 1
1025 1 70 LYS HB3 1 71 VAL QG . . 5.500 3.436 2.706 4.213 . 0 0 "[ . 1 . 2]" 1
1026 1 71 VAL H 1 71 VAL HB . . 3.510 3.024 2.621 3.559 0.049 19 0 "[ . 1 . 2]" 1
1027 1 71 VAL H 1 71 VAL QG . . 3.600 2.621 2.429 2.959 . 0 0 "[ . 1 . 2]" 1
1028 1 71 VAL HA 1 75 LYS H . . 5.310 4.422 4.123 4.601 . 0 0 "[ . 1 . 2]" 1
1029 1 71 VAL HA 1 75 LYS QB . . 3.870 2.566 2.309 2.887 . 0 0 "[ . 1 . 2]" 1
1030 1 71 VAL HA 1 75 LYS HG3 . . 4.500 2.982 2.365 3.611 . 0 0 "[ . 1 . 2]" 1
1031 1 71 VAL HA 1 76 ALA H . . 5.500 5.122 4.719 5.492 . 0 0 "[ . 1 . 2]" 1
1032 1 71 VAL HB 1 72 GLY H . . 4.160 4.107 3.931 4.184 0.024 1 0 "[ . 1 . 2]" 1
1033 1 71 VAL HB 1 72 GLY HA2 . . 5.500 5.162 4.505 5.772 0.272 19 0 "[ . 1 . 2]" 1
1034 1 71 VAL QG 1 72 GLY H . . 3.720 2.191 1.936 2.561 . 0 0 "[ . 1 . 2]" 1
1035 1 71 VAL QG 1 72 GLY HA2 . . 5.500 3.439 3.240 3.809 . 0 0 "[ . 1 . 2]" 1
1036 1 71 VAL QG 1 72 GLY HA3 . . 5.170 3.989 3.850 4.186 . 0 0 "[ . 1 . 2]" 1
1037 1 71 VAL QG 1 73 LYS H . . 5.500 4.940 4.792 5.200 . 0 0 "[ . 1 . 2]" 1
1038 1 71 VAL QG 1 75 LYS H . . 5.050 3.552 3.188 3.864 . 0 0 "[ . 1 . 2]" 1
1039 1 71 VAL QG 1 75 LYS QB . . 3.580 1.779 1.690 1.945 . 0 0 "[ . 1 . 2]" 1
1040 1 71 VAL QG 1 75 LYS QE . . 4.780 3.245 2.679 3.968 . 0 0 "[ . 1 . 2]" 1
1041 1 71 VAL QG 1 76 ALA H . . 4.010 2.949 2.574 3.124 . 0 0 "[ . 1 . 2]" 1
1042 1 71 VAL QG 1 76 ALA HA . . 3.970 3.263 2.705 3.652 . 0 0 "[ . 1 . 2]" 1
1043 1 71 VAL QG 1 76 ALA MB . . 3.820 3.121 2.516 3.409 . 0 0 "[ . 1 . 2]" 1
1044 1 71 VAL QG 1 77 GLN H . . 5.250 5.041 4.510 5.217 . 0 0 "[ . 1 . 2]" 1
1045 1 72 GLY H 1 73 LYS H . . 4.820 4.362 4.312 4.431 . 0 0 "[ . 1 . 2]" 1
1046 1 72 GLY H 1 74 VAL H . . 5.500 3.886 3.722 4.210 . 0 0 "[ . 1 . 2]" 1
1047 1 72 GLY H 1 75 LYS H . . 4.720 2.775 2.543 2.931 . 0 0 "[ . 1 . 2]" 1
1048 1 72 GLY H 1 75 LYS HA . . 5.500 4.732 4.492 4.953 . 0 0 "[ . 1 . 2]" 1
1049 1 72 GLY H 1 75 LYS QB . . 4.040 1.992 1.869 2.252 . 0 0 "[ . 1 . 2]" 1
1050 1 72 GLY H 1 75 LYS HD3 . . 5.500 5.007 4.312 6.009 0.509 5 1 "[ + 1 . 2]" 1
1051 1 72 GLY H 1 75 LYS HG3 . . 4.890 3.541 2.915 3.958 . 0 0 "[ . 1 . 2]" 1
1052 1 72 GLY H 1 76 ALA MB . . 5.500 4.592 4.166 5.155 . 0 0 "[ . 1 . 2]" 1
1053 1 72 GLY HA2 1 73 LYS HA . . 5.380 4.314 4.301 4.326 . 0 0 "[ . 1 . 2]" 1
1054 1 72 GLY HA2 1 73 LYS HB3 . . 5.500 4.852 4.731 4.966 . 0 0 "[ . 1 . 2]" 1
1055 1 72 GLY HA2 1 74 VAL MG2 . . 5.120 5.168 5.139 5.203 0.083 19 0 "[ . 1 . 2]" 1
1056 1 72 GLY HA2 1 76 ALA MB . . 5.500 4.610 3.990 5.084 . 0 0 "[ . 1 . 2]" 1
1057 1 72 GLY HA3 1 73 LYS HB3 . . 5.500 4.914 4.753 5.060 . 0 0 "[ . 1 . 2]" 1
1058 1 72 GLY HA3 1 73 LYS HG3 . . 5.500 4.580 3.758 6.005 0.505 8 1 "[ . + 1 . 2]" 1
1059 1 72 GLY HA3 1 74 VAL H . . 5.380 3.137 3.061 3.306 . 0 0 "[ . 1 . 2]" 1
1060 1 72 GLY HA3 1 74 VAL HB . . 5.500 4.602 4.482 4.689 . 0 0 "[ . 1 . 2]" 1
1061 1 72 GLY HA3 1 75 LYS H . . 5.230 3.923 3.752 4.074 . 0 0 "[ . 1 . 2]" 1
1062 1 72 GLY HA3 1 75 LYS QB . . 4.600 4.220 3.957 4.498 . 0 0 "[ . 1 . 2]" 1
1063 1 73 LYS H 1 73 LYS HB2 . . 3.600 3.578 3.555 3.599 . 0 0 "[ . 1 . 2]" 1
1064 1 73 LYS H 1 73 LYS QD . . 4.800 3.202 1.906 4.122 . 0 0 "[ . 1 . 2]" 1
1065 1 73 LYS H 1 73 LYS HE3 . . 5.500 4.128 1.949 5.941 0.441 18 0 "[ . 1 . 2]" 1
1066 1 73 LYS H 1 73 LYS HG2 . . 5.500 3.300 3.105 3.634 . 0 0 "[ . 1 . 2]" 1
1067 1 73 LYS H 1 73 LYS HG3 . . 4.780 2.781 2.008 3.980 . 0 0 "[ . 1 . 2]" 1
1068 1 73 LYS H 1 74 VAL H . . 4.870 2.713 2.642 2.872 . 0 0 "[ . 1 . 2]" 1
1069 1 73 LYS H 1 74 VAL HB . . 5.500 5.234 5.119 5.351 . 0 0 "[ . 1 . 2]" 1
1070 1 73 LYS H 1 74 VAL MG2 . . 5.500 3.735 3.602 3.974 . 0 0 "[ . 1 . 2]" 1
1071 1 73 LYS H 1 75 LYS H . . 5.500 4.722 4.518 4.902 . 0 0 "[ . 1 . 2]" 1
1072 1 73 LYS H 1 76 ALA H . . 5.500 4.897 4.728 5.004 . 0 0 "[ . 1 . 2]" 1
1073 1 73 LYS HA 1 73 LYS QD . . 4.190 3.803 3.696 3.893 . 0 0 "[ . 1 . 2]" 1
1074 1 73 LYS HA 1 73 LYS HE3 . . 5.500 4.838 3.992 6.233 0.733 18 1 "[ . 1 . + 2]" 1
1075 1 73 LYS HA 1 73 LYS HG3 . . 4.020 3.815 3.581 4.228 0.208 16 0 "[ . 1 . 2]" 1
1076 1 73 LYS HA 1 74 VAL MG2 . . 5.500 4.725 4.649 4.869 . 0 0 "[ . 1 . 2]" 1
1077 1 73 LYS HA 1 75 LYS H . . 5.040 4.940 4.633 5.071 0.031 19 0 "[ . 1 . 2]" 1
1078 1 73 LYS HA 1 76 ALA H . . 4.790 3.762 3.602 3.958 . 0 0 "[ . 1 . 2]" 1
1079 1 73 LYS HA 1 76 ALA MB . . 3.690 2.630 2.347 2.897 . 0 0 "[ . 1 . 2]" 1
1080 1 73 LYS HB2 1 73 LYS QD . . 3.790 2.785 2.210 3.516 . 0 0 "[ . 1 . 2]" 1
1081 1 73 LYS HB2 1 73 LYS HE3 . . 4.360 3.200 2.034 4.937 0.577 16 1 "[ . 1 .+ 2]" 1
1082 1 73 LYS HB2 1 74 VAL H . . 4.180 4.049 3.765 4.197 0.017 10 0 "[ . 1 . 2]" 1
1083 1 73 LYS HB2 1 74 VAL HA . . 4.900 4.673 4.475 4.864 . 0 0 "[ . 1 . 2]" 1
1084 1 73 LYS HB2 1 74 VAL MG2 . . 4.410 4.399 4.298 4.497 0.087 20 0 "[ . 1 . 2]" 1
1085 1 73 LYS HB3 1 73 LYS HE3 . . 4.560 3.158 1.995 4.980 0.420 18 0 "[ . 1 . 2]" 1
1086 1 73 LYS QD 1 73 LYS HG3 . . 2.730 2.242 2.153 2.390 . 0 0 "[ . 1 . 2]" 1
1087 1 73 LYS QD 1 74 VAL H . . 5.070 2.678 1.931 3.391 . 0 0 "[ . 1 . 2]" 1
1088 1 73 LYS QD 1 74 VAL HA . . 4.990 3.255 2.710 4.305 . 0 0 "[ . 1 . 2]" 1
1089 1 73 LYS QD 1 74 VAL MG2 . . 5.080 2.154 1.947 2.840 . 0 0 "[ . 1 . 2]" 1
1090 1 73 LYS QD 1 75 LYS H . . 5.410 4.838 4.360 5.269 . 0 0 "[ . 1 . 2]" 1
1091 1 73 LYS HE2 1 74 VAL MG2 . . 5.500 4.255 3.281 4.562 . 0 0 "[ . 1 . 2]" 1
1092 1 73 LYS HE3 1 73 LYS HG2 . . 4.100 2.997 2.122 4.235 0.135 16 0 "[ . 1 . 2]" 1
1093 1 73 LYS HE3 1 73 LYS HG3 . . 3.730 3.447 2.264 4.007 0.277 18 0 "[ . 1 . 2]" 1
1094 1 73 LYS HE3 1 74 VAL H . . 5.500 4.882 3.717 5.800 0.300 19 0 "[ . 1 . 2]" 1
1095 1 73 LYS HE3 1 74 VAL MG2 . . 4.620 4.254 1.887 4.615 . 0 0 "[ . 1 . 2]" 1
1096 1 73 LYS HG3 1 74 VAL MG1 . . 5.500 5.241 4.802 5.746 0.246 3 0 "[ . 1 . 2]" 1
1097 1 73 LYS HG3 1 74 VAL MG2 . . 4.650 2.886 2.310 3.578 . 0 0 "[ . 1 . 2]" 1
1098 1 74 VAL H 1 74 VAL HB . . 3.400 2.695 2.649 2.732 . 0 0 "[ . 1 . 2]" 1
1099 1 74 VAL H 1 74 VAL MG1 . . 4.280 3.778 3.754 3.792 . 0 0 "[ . 1 . 2]" 1
1100 1 74 VAL H 1 74 VAL MG2 . . 3.620 2.003 1.914 2.163 . 0 0 "[ . 1 . 2]" 1
1101 1 74 VAL H 1 75 LYS H . . 3.670 2.641 2.485 2.927 . 0 0 "[ . 1 . 2]" 1
1102 1 74 VAL H 1 75 LYS HA . . 5.500 5.226 5.123 5.445 . 0 0 "[ . 1 . 2]" 1
1103 1 74 VAL H 1 77 GLN H . . 5.500 4.971 4.797 5.203 . 0 0 "[ . 1 . 2]" 1
1104 1 74 VAL HA 1 74 VAL MG1 . . 3.210 2.248 2.188 2.304 . 0 0 "[ . 1 . 2]" 1
1105 1 74 VAL HA 1 74 VAL MG2 . . 3.060 2.486 2.410 2.540 . 0 0 "[ . 1 . 2]" 1
1106 1 74 VAL HA 1 76 ALA H . . 5.500 4.350 4.027 4.706 . 0 0 "[ . 1 . 2]" 1
1107 1 74 VAL HA 1 76 ALA MB . . 5.500 4.692 4.331 5.036 . 0 0 "[ . 1 . 2]" 1
1108 1 74 VAL HA 1 77 GLN H . . 4.690 3.779 3.630 3.932 . 0 0 "[ . 1 . 2]" 1
1109 1 74 VAL HA 1 77 GLN HB2 . . 4.010 3.467 3.203 3.912 . 0 0 "[ . 1 . 2]" 1
1110 1 74 VAL HA 1 78 GLU H . . 5.500 5.327 4.942 5.506 0.006 6 0 "[ . 1 . 2]" 1
1111 1 74 VAL HB 1 75 LYS H . . 3.440 2.216 2.071 2.462 . 0 0 "[ . 1 . 2]" 1
1112 1 74 VAL MG1 1 75 LYS H . . 3.780 3.470 3.274 3.632 . 0 0 "[ . 1 . 2]" 1
1113 1 74 VAL MG1 1 75 LYS HA . . 4.690 3.814 3.679 3.903 . 0 0 "[ . 1 . 2]" 1
1114 1 74 VAL MG1 1 77 GLN HB2 . . 5.500 4.230 3.833 4.659 . 0 0 "[ . 1 . 2]" 1
1115 1 74 VAL MG1 1 77 GLN HB3 . . 4.410 4.369 3.615 4.519 0.109 19 0 "[ . 1 . 2]" 1
1116 1 74 VAL MG1 1 78 GLU QG . . 4.290 3.922 3.329 4.102 . 0 0 "[ . 1 . 2]" 1
1117 1 74 VAL MG2 1 75 LYS H . . 4.300 3.462 3.388 3.574 . 0 0 "[ . 1 . 2]" 1
1118 1 74 VAL MG2 1 77 GLN HB2 . . 5.500 5.406 5.194 5.726 0.226 1 0 "[ . 1 . 2]" 1
1119 1 75 LYS H 1 75 LYS QB . . 3.040 2.131 2.045 2.361 . 0 0 "[ . 1 . 2]" 1
1120 1 75 LYS H 1 75 LYS QE . . 5.500 4.730 4.106 4.959 . 0 0 "[ . 1 . 2]" 1
1121 1 75 LYS H 1 75 LYS HG3 . . 5.150 3.690 3.159 4.101 . 0 0 "[ . 1 . 2]" 1
1122 1 75 LYS H 1 76 ALA MB . . 5.360 4.323 4.221 4.432 . 0 0 "[ . 1 . 2]" 1
1123 1 75 LYS H 1 77 GLN H . . 5.340 4.322 4.125 4.671 . 0 0 "[ . 1 . 2]" 1
1124 1 75 LYS H 1 78 GLU H . . 5.500 5.226 4.945 5.327 . 0 0 "[ . 1 . 2]" 1
1125 1 75 LYS H 1 78 GLU QG . . 5.500 4.565 4.054 4.868 . 0 0 "[ . 1 . 2]" 1
1126 1 75 LYS HA 1 75 LYS HD3 . . 4.430 3.857 3.459 4.366 . 0 0 "[ . 1 . 2]" 1
1127 1 75 LYS HA 1 75 LYS HG3 . . 4.120 3.481 3.159 3.716 . 0 0 "[ . 1 . 2]" 1
1128 1 75 LYS HA 1 77 GLN H . . 4.950 4.051 3.704 4.381 . 0 0 "[ . 1 . 2]" 1
1129 1 75 LYS HA 1 78 GLU H . . 3.840 3.335 3.046 3.488 . 0 0 "[ . 1 . 2]" 1
1130 1 75 LYS HA 1 78 GLU HB3 . . 4.900 4.783 4.266 4.964 0.064 20 0 "[ . 1 . 2]" 1
1131 1 75 LYS HA 1 78 GLU QG . . 5.260 2.248 1.953 2.518 . 0 0 "[ . 1 . 2]" 1
1132 1 75 LYS HA 1 79 ILE MD . . 5.500 5.119 4.438 5.551 0.051 19 0 "[ . 1 . 2]" 1
1133 1 75 LYS QB 1 75 LYS QE . . 4.410 2.303 1.974 3.086 . 0 0 "[ . 1 . 2]" 1
1134 1 75 LYS QB 1 76 ALA H . . 3.570 2.778 2.643 3.061 . 0 0 "[ . 1 . 2]" 1
1135 1 75 LYS QB 1 76 ALA HA . . 5.280 3.820 3.742 3.945 . 0 0 "[ . 1 . 2]" 1
1136 1 75 LYS QB 1 78 GLU QG . . 5.500 4.072 3.600 4.406 . 0 0 "[ . 1 . 2]" 1
1137 1 75 LYS QB 1 79 ILE H . . 5.500 4.666 4.107 5.224 . 0 0 "[ . 1 . 2]" 1
1138 1 75 LYS QE 1 76 ALA H . . 5.500 4.784 4.484 5.176 . 0 0 "[ . 1 . 2]" 1
1139 1 75 LYS QE 1 78 GLU H . . 4.950 4.391 3.779 4.831 . 0 0 "[ . 1 . 2]" 1
1140 1 75 LYS QE 1 78 GLU QG . . 5.150 3.188 2.199 4.285 . 0 0 "[ . 1 . 2]" 1
1141 1 75 LYS QE 1 79 ILE H . . 5.500 3.933 3.070 4.655 . 0 0 "[ . 1 . 2]" 1
1142 1 75 LYS QE 1 79 ILE MD . . 5.010 3.531 2.743 4.526 . 0 0 "[ . 1 . 2]" 1
1143 1 76 ALA H 1 76 ALA MB . . 3.300 2.203 2.073 2.236 . 0 0 "[ . 1 . 2]" 1
1144 1 76 ALA H 1 77 GLN H . . 3.860 2.784 2.495 2.897 . 0 0 "[ . 1 . 2]" 1
1145 1 76 ALA H 1 77 GLN HA . . 5.500 5.356 5.105 5.445 . 0 0 "[ . 1 . 2]" 1
1146 1 76 ALA H 1 77 GLN HB2 . . 4.950 4.728 4.361 5.249 0.299 1 0 "[ . 1 . 2]" 1
1147 1 76 ALA H 1 78 GLU H . . 5.110 4.315 4.166 4.488 . 0 0 "[ . 1 . 2]" 1
1148 1 76 ALA HA 1 78 GLU H . . 5.500 4.282 4.008 4.638 . 0 0 "[ . 1 . 2]" 1
1149 1 76 ALA HA 1 79 ILE H . . 4.510 3.490 3.223 3.904 . 0 0 "[ . 1 . 2]" 1
1150 1 76 ALA HA 1 79 ILE HB . . 4.020 3.077 2.576 3.598 . 0 0 "[ . 1 . 2]" 1
1151 1 76 ALA HA 1 79 ILE MD . . 3.620 2.523 1.992 2.884 . 0 0 "[ . 1 . 2]" 1
1152 1 76 ALA HA 1 79 ILE HG12 . . 4.880 4.550 4.268 4.907 0.027 4 0 "[ . 1 . 2]" 1
1153 1 76 ALA HA 1 79 ILE HG13 . . 4.770 3.036 2.709 3.636 . 0 0 "[ . 1 . 2]" 1
1154 1 76 ALA HA 1 80 MET H . . 5.500 4.524 4.209 4.872 . 0 0 "[ . 1 . 2]" 1
1155 1 76 ALA HA 1 80 MET QG . . 5.500 4.173 3.876 4.842 . 0 0 "[ . 1 . 2]" 1
1156 1 76 ALA MB 1 77 GLN H . . 3.650 2.640 2.383 2.869 . 0 0 "[ . 1 . 2]" 1
1157 1 76 ALA MB 1 77 GLN HA . . 4.810 3.818 3.702 3.904 . 0 0 "[ . 1 . 2]" 1
1158 1 76 ALA MB 1 77 GLN HB2 . . 4.760 4.076 3.860 4.211 . 0 0 "[ . 1 . 2]" 1
1159 1 76 ALA MB 1 79 ILE HB . . 5.500 4.184 3.912 4.546 . 0 0 "[ . 1 . 2]" 1
1160 1 76 ALA MB 1 79 ILE MD . . 3.880 3.648 3.218 3.895 0.015 9 0 "[ . 1 . 2]" 1
1161 1 76 ALA MB 1 80 MET H . . 5.500 4.859 4.472 5.357 . 0 0 "[ . 1 . 2]" 1
1162 1 76 ALA MB 1 80 MET QG . . 5.500 3.687 3.197 4.227 . 0 0 "[ . 1 . 2]" 1
1163 1 77 GLN H 1 77 GLN HB2 . . 3.380 2.174 2.071 2.601 . 0 0 "[ . 1 . 2]" 1
1164 1 77 GLN H 1 78 GLU H . . 3.640 2.684 2.416 2.839 . 0 0 "[ . 1 . 2]" 1
1165 1 77 GLN H 1 78 GLU QG . . 4.570 3.913 3.696 4.146 . 0 0 "[ . 1 . 2]" 1
1166 1 77 GLN H 1 79 ILE H . . 5.500 4.313 4.033 4.523 . 0 0 "[ . 1 . 2]" 1
1167 1 77 GLN H 1 79 ILE HG13 . . 5.500 5.164 4.838 5.439 . 0 0 "[ . 1 . 2]" 1
1168 1 77 GLN HA 1 79 ILE H . . 5.500 4.609 4.419 4.773 . 0 0 "[ . 1 . 2]" 1
1169 1 77 GLN HA 1 80 MET H . . 4.390 3.601 3.410 3.937 . 0 0 "[ . 1 . 2]" 1
1170 1 77 GLN HA 1 80 MET HB2 . . 5.070 3.105 2.702 3.775 . 0 0 "[ . 1 . 2]" 1
1171 1 77 GLN HA 1 80 MET HB3 . . 5.260 4.644 4.328 5.261 0.001 5 0 "[ . 1 . 2]" 1
1172 1 77 GLN HA 1 80 MET ME . . 5.500 3.338 2.204 4.978 . 0 0 "[ . 1 . 2]" 1
1173 1 77 GLN HA 1 80 MET QG . . 4.540 3.140 2.235 3.953 . 0 0 "[ . 1 . 2]" 1
1174 1 77 GLN HA 1 81 THR H . . 4.840 4.509 4.285 4.775 . 0 0 "[ . 1 . 2]" 1
1175 1 77 GLN HB2 1 78 GLU H . . 3.400 3.502 3.346 4.049 0.649 1 2 "[+ . 1 . -]" 1
1176 1 78 GLU H 1 78 GLU HB2 . . 3.580 2.718 2.698 2.734 . 0 0 "[ . 1 . 2]" 1
1177 1 78 GLU H 1 78 GLU HB3 . . 3.510 3.582 3.576 3.607 0.097 5 0 "[ . 1 . 2]" 1
1178 1 78 GLU H 1 78 GLU QG . . 3.620 1.967 1.915 2.115 . 0 0 "[ . 1 . 2]" 1
1179 1 78 GLU H 1 79 ILE H . . 3.920 2.689 2.492 2.774 . 0 0 "[ . 1 . 2]" 1
1180 1 78 GLU H 1 79 ILE HB . . 4.980 4.943 4.700 5.034 0.054 19 0 "[ . 1 . 2]" 1
1181 1 78 GLU H 1 79 ILE HG13 . . 5.500 4.100 3.921 4.206 . 0 0 "[ . 1 . 2]" 1
1182 1 78 GLU H 1 80 MET H . . 5.420 4.005 3.864 4.155 . 0 0 "[ . 1 . 2]" 1
1183 1 78 GLU H 1 81 THR H . . 4.710 4.702 4.545 4.782 0.072 18 0 "[ . 1 . 2]" 1
1184 1 78 GLU HA 1 80 MET H . . 4.560 4.060 3.892 4.232 . 0 0 "[ . 1 . 2]" 1
1185 1 78 GLU HA 1 81 THR H . . 4.230 3.211 3.046 3.352 . 0 0 "[ . 1 . 2]" 1
1186 1 78 GLU HA 1 81 THR HB . . 3.690 2.611 2.414 2.869 . 0 0 "[ . 1 . 2]" 1
1187 1 78 GLU HA 1 81 THR MG . . 5.340 4.048 3.851 4.289 . 0 0 "[ . 1 . 2]" 1
1188 1 78 GLU HB2 1 79 ILE H . . 4.030 2.455 2.317 2.584 . 0 0 "[ . 1 . 2]" 1
1189 1 78 GLU HB2 1 79 ILE HA . . 3.980 4.016 3.990 4.051 0.071 19 0 "[ . 1 . 2]" 1
1190 1 78 GLU HB3 1 79 ILE H . . 4.210 3.735 3.628 3.837 . 0 0 "[ . 1 . 2]" 1
1191 1 78 GLU HB3 1 80 MET H . . 5.500 5.433 5.274 5.539 0.039 12 0 "[ . 1 . 2]" 1
1192 1 78 GLU HB3 1 81 THR H . . 5.180 5.038 4.892 5.197 0.017 13 0 "[ . 1 . 2]" 1
1193 1 78 GLU QG 1 79 ILE H . . 5.500 3.683 3.635 3.737 . 0 0 "[ . 1 . 2]" 1
1194 1 79 ILE H 1 79 ILE HB . . 3.650 2.640 2.611 2.667 . 0 0 "[ . 1 . 2]" 1
1195 1 79 ILE H 1 79 ILE MD . . 4.280 3.533 3.415 3.582 . 0 0 "[ . 1 . 2]" 1
1196 1 79 ILE H 1 79 ILE HG12 . . 3.750 3.136 3.036 3.307 . 0 0 "[ . 1 . 2]" 1
1197 1 79 ILE H 1 79 ILE HG13 . . 4.210 1.935 1.915 1.965 . 0 0 "[ . 1 . 2]" 1
1198 1 79 ILE H 1 79 ILE MG . . 4.140 3.762 3.760 3.767 . 0 0 "[ . 1 . 2]" 1
1199 1 79 ILE H 1 80 MET H . . 3.760 2.718 2.603 2.798 . 0 0 "[ . 1 . 2]" 1
1200 1 79 ILE H 1 80 MET QG . . 5.500 4.200 4.004 4.383 . 0 0 "[ . 1 . 2]" 1
1201 1 79 ILE H 1 81 THR H . . 4.690 4.096 3.960 4.309 . 0 0 "[ . 1 . 2]" 1
1202 1 79 ILE HA 1 79 ILE HG12 . . 3.880 2.558 2.523 2.613 . 0 0 "[ . 1 . 2]" 1
1203 1 79 ILE HA 1 79 ILE HG13 . . 4.020 3.105 2.939 3.167 . 0 0 "[ . 1 . 2]" 1
1204 1 79 ILE HA 1 79 ILE MG . . 3.460 2.335 2.273 2.403 . 0 0 "[ . 1 . 2]" 1
1205 1 79 ILE HA 1 81 THR H . . 4.990 4.263 4.070 4.530 . 0 0 "[ . 1 . 2]" 1
1206 1 79 ILE HA 1 82 GLU H . . 3.950 3.533 3.435 3.654 . 0 0 "[ . 1 . 2]" 1
1207 1 79 ILE HA 1 82 GLU HB2 . . 4.750 4.703 4.614 4.791 0.041 1 0 "[ . 1 . 2]" 1
1208 1 79 ILE HA 1 82 GLU HG2 . . 5.200 1.998 1.979 2.033 . 0 0 "[ . 1 . 2]" 1
1209 1 79 ILE HA 1 83 LEU H . . 4.060 4.065 3.962 4.132 0.072 8 0 "[ . 1 . 2]" 1
1210 1 79 ILE HA 1 83 LEU HB2 . . 4.510 4.515 4.390 4.591 0.081 19 0 "[ . 1 . 2]" 1
1211 1 79 ILE HB 1 80 MET H . . 3.660 2.838 2.696 3.029 . 0 0 "[ . 1 . 2]" 1
1212 1 79 ILE HB 1 80 MET HA . . 5.210 4.285 4.243 4.360 . 0 0 "[ . 1 . 2]" 1
1213 1 79 ILE HB 1 80 MET QG . . 5.380 3.042 2.933 3.151 . 0 0 "[ . 1 . 2]" 1
1214 1 79 ILE HG12 1 79 ILE MG . . 3.680 2.357 2.317 2.416 . 0 0 "[ . 1 . 2]" 1
1215 1 79 ILE HG13 1 79 ILE MG . . 3.700 3.192 3.185 3.203 . 0 0 "[ . 1 . 2]" 1
1216 1 79 ILE HG13 1 80 MET H . . 5.250 4.172 4.100 4.273 . 0 0 "[ . 1 . 2]" 1
1217 1 79 ILE HG13 1 80 MET QG . . 5.180 4.996 4.823 5.087 . 0 0 "[ . 1 . 2]" 1
1218 1 79 ILE MG 1 80 MET H . . 3.900 3.726 3.616 3.872 . 0 0 "[ . 1 . 2]" 1
1219 1 79 ILE MG 1 80 MET QG . . 3.990 3.655 3.440 3.811 . 0 0 "[ . 1 . 2]" 1
1220 1 79 ILE MG 1 83 LEU H . . 5.040 4.062 3.964 4.182 . 0 0 "[ . 1 . 2]" 1
1221 1 79 ILE MG 1 83 LEU HA . . 5.500 5.460 5.362 5.577 0.077 4 0 "[ . 1 . 2]" 1
1222 1 80 MET H 1 80 MET HB2 . . 3.990 2.557 2.413 2.682 . 0 0 "[ . 1 . 2]" 1
1223 1 80 MET H 1 80 MET HB3 . . 3.750 3.616 3.600 3.627 . 0 0 "[ . 1 . 2]" 1
1224 1 80 MET H 1 80 MET QG . . 3.640 2.278 2.188 2.416 . 0 0 "[ . 1 . 2]" 1
1225 1 80 MET H 1 81 THR H . . 3.260 2.402 2.360 2.468 . 0 0 "[ . 1 . 2]" 1
1226 1 80 MET H 1 81 THR HB . . 5.500 4.638 4.604 4.706 . 0 0 "[ . 1 . 2]" 1
1227 1 80 MET H 1 83 LEU HB2 . . 5.500 5.184 5.026 5.354 . 0 0 "[ . 1 . 2]" 1
1228 1 80 MET H 1 85 ILE HB . . 5.500 4.779 4.510 5.086 . 0 0 "[ . 1 . 2]" 1
1229 1 80 MET H 1 85 ILE MD . . 4.440 4.376 4.213 4.488 0.048 19 0 "[ . 1 . 2]" 1
1230 1 80 MET HA 1 80 MET QG . . 3.940 2.556 2.421 2.664 . 0 0 "[ . 1 . 2]" 1
1231 1 80 MET HA 1 83 LEU H . . 4.320 3.491 3.357 3.612 . 0 0 "[ . 1 . 2]" 1
1232 1 80 MET HA 1 83 LEU HB3 . . 5.430 4.396 4.180 4.628 . 0 0 "[ . 1 . 2]" 1
1233 1 80 MET HA 1 85 ILE H . . 3.930 2.692 2.383 2.998 . 0 0 "[ . 1 . 2]" 1
1234 1 80 MET HA 1 85 ILE HB . . 3.680 2.203 1.975 2.609 . 0 0 "[ . 1 . 2]" 1
1235 1 80 MET HA 1 85 ILE MD . . 3.360 2.522 2.272 2.720 . 0 0 "[ . 1 . 2]" 1
1236 1 80 MET HA 1 85 ILE HG12 . . 4.910 4.191 4.030 4.336 . 0 0 "[ . 1 . 2]" 1
1237 1 80 MET HA 1 85 ILE HG13 . . 3.450 2.780 2.487 3.020 . 0 0 "[ . 1 . 2]" 1
1238 1 80 MET HA 1 85 ILE MG . . 4.950 3.815 3.640 4.198 . 0 0 "[ . 1 . 2]" 1
1239 1 80 MET HB2 1 80 MET ME . . 4.420 3.339 2.210 4.258 . 0 0 "[ . 1 . 2]" 1
1240 1 80 MET HB2 1 81 THR H . . 4.020 2.874 2.626 3.027 . 0 0 "[ . 1 . 2]" 1
1241 1 80 MET HB2 1 81 THR HA . . 5.500 4.281 4.129 4.481 . 0 0 "[ . 1 . 2]" 1
1242 1 80 MET HB2 1 85 ILE H . . 5.320 4.673 4.350 4.941 . 0 0 "[ . 1 . 2]" 1
1243 1 80 MET HB2 1 85 ILE HB . . 4.900 4.088 3.854 4.539 . 0 0 "[ . 1 . 2]" 1
1244 1 80 MET HB2 1 85 ILE MD . . 5.500 4.926 4.782 5.048 . 0 0 "[ . 1 . 2]" 1
1245 1 80 MET HB3 1 81 THR H . . 4.240 3.947 3.812 4.067 . 0 0 "[ . 1 . 2]" 1
1246 1 80 MET HB3 1 81 THR HA . . 5.350 4.630 4.499 4.780 . 0 0 "[ . 1 . 2]" 1
1247 1 80 MET HB3 1 85 ILE H . . 4.430 3.523 3.231 3.786 . 0 0 "[ . 1 . 2]" 1
1248 1 80 MET HB3 1 85 ILE HB . . 4.840 2.595 2.262 3.157 . 0 0 "[ . 1 . 2]" 1
1249 1 80 MET HB3 1 87 PRO HA . . 4.130 4.147 3.836 4.267 0.137 12 0 "[ . 1 . 2]" 1
1250 1 80 MET ME 1 81 THR H . . 5.500 5.463 4.720 5.791 0.291 7 0 "[ . 1 . 2]" 1
1251 1 80 MET ME 1 87 PRO HA . . 4.330 2.767 1.871 4.355 0.025 18 0 "[ . 1 . 2]" 1
1252 1 80 MET QG 1 81 THR H . . 4.650 4.015 3.799 4.211 . 0 0 "[ . 1 . 2]" 1
1253 1 80 MET QG 1 85 ILE H . . 5.500 4.652 4.098 5.037 . 0 0 "[ . 1 . 2]" 1
1254 1 80 MET QG 1 85 ILE HB . . 4.700 2.927 2.178 3.471 . 0 0 "[ . 1 . 2]" 1
1255 1 80 MET QG 1 85 ILE MD . . 3.610 3.205 2.924 3.542 . 0 0 "[ . 1 . 2]" 1
1256 1 80 MET QG 1 85 ILE MG . . 4.720 3.536 2.926 3.978 . 0 0 "[ . 1 . 2]" 1
1257 1 80 MET QG 1 87 PRO HA . . 4.310 4.157 3.811 4.233 . 0 0 "[ . 1 . 2]" 1
1258 1 81 THR H 1 81 THR HB . . 3.230 2.483 2.471 2.503 . 0 0 "[ . 1 . 2]" 1
1259 1 81 THR H 1 81 THR MG . . 3.710 3.772 3.766 3.777 0.067 12 0 "[ . 1 . 2]" 1
1260 1 81 THR H 1 82 GLU H . . 3.350 2.408 2.311 2.546 . 0 0 "[ . 1 . 2]" 1
1261 1 81 THR H 1 82 GLU HB3 . . 5.500 4.682 4.517 4.984 . 0 0 "[ . 1 . 2]" 1
1262 1 81 THR H 1 82 GLU HG2 . . 5.110 3.987 3.875 4.062 . 0 0 "[ . 1 . 2]" 1
1263 1 81 THR H 1 82 GLU HG3 . . 5.500 5.425 5.199 5.506 0.006 4 0 "[ . 1 . 2]" 1
1264 1 81 THR H 1 83 LEU HB2 . . 5.500 5.391 5.193 5.554 0.054 4 0 "[ . 1 . 2]" 1
1265 1 81 THR H 1 85 ILE H . . 5.500 4.809 4.705 4.973 . 0 0 "[ . 1 . 2]" 1
1266 1 81 THR H 1 85 ILE MD . . 5.500 5.387 5.234 5.498 . 0 0 "[ . 1 . 2]" 1
1267 1 81 THR HA 1 81 THR MG . . 3.050 2.398 2.328 2.415 . 0 0 "[ . 1 . 2]" 1
1268 1 81 THR HA 1 84 GLU H . . 4.200 3.589 3.463 3.719 . 0 0 "[ . 1 . 2]" 1
1269 1 81 THR HA 1 84 GLU HA . . 4.360 3.549 3.437 3.681 . 0 0 "[ . 1 . 2]" 1
1270 1 81 THR HA 1 85 ILE H . . 5.030 4.334 4.089 4.772 . 0 0 "[ . 1 . 2]" 1
1271 1 81 THR HB 1 82 GLU H . . 3.530 2.956 2.837 3.029 . 0 0 "[ . 1 . 2]" 1
1272 1 81 THR HB 1 82 GLU HG2 . . 5.500 4.863 4.457 5.056 . 0 0 "[ . 1 . 2]" 1
1273 1 81 THR MG 1 82 GLU H . . 3.810 3.670 3.582 3.747 . 0 0 "[ . 1 . 2]" 1
1274 1 81 THR MG 1 82 GLU HA . . 4.620 3.552 3.486 3.726 . 0 0 "[ . 1 . 2]" 1
1275 1 81 THR MG 1 84 GLU H . . 5.500 4.662 4.572 4.803 . 0 0 "[ . 1 . 2]" 1
1276 1 81 THR MG 1 84 GLU HA . . 5.500 4.812 4.667 4.936 . 0 0 "[ . 1 . 2]" 1
1277 1 82 GLU H 1 82 GLU HB2 . . 3.730 3.633 3.615 3.640 . 0 0 "[ . 1 . 2]" 1
1278 1 82 GLU H 1 82 GLU HG2 . . 3.310 2.218 2.030 2.297 . 0 0 "[ . 1 . 2]" 1
1279 1 82 GLU H 1 82 GLU HG3 . . 3.960 3.337 3.063 3.443 . 0 0 "[ . 1 . 2]" 1
1280 1 82 GLU H 1 83 LEU H . . 3.580 2.350 2.332 2.439 . 0 0 "[ . 1 . 2]" 1
1281 1 82 GLU H 1 83 LEU HB2 . . 5.500 4.343 4.304 4.388 . 0 0 "[ . 1 . 2]" 1
1282 1 82 GLU H 1 83 LEU QD . . 4.760 4.385 3.936 4.769 0.009 10 0 "[ . 1 . 2]" 1
1283 1 82 GLU H 1 84 GLU H . . 4.740 3.615 3.467 3.713 . 0 0 "[ . 1 . 2]" 1
1284 1 82 GLU H 1 85 ILE H . . 5.500 4.883 4.754 5.117 . 0 0 "[ . 1 . 2]" 1
1285 1 82 GLU H 1 85 ILE HG13 . . 5.500 5.457 5.135 5.601 0.101 6 0 "[ . 1 . 2]" 1
1286 1 82 GLU HA 1 82 GLU HG2 . . 4.100 3.797 3.767 3.812 . 0 0 "[ . 1 . 2]" 1
1287 1 82 GLU HA 1 82 GLU HG3 . . 3.620 3.685 3.664 3.731 0.111 10 0 "[ . 1 . 2]" 1
1288 1 82 GLU HB2 1 83 LEU H . . 4.290 3.926 3.797 3.991 . 0 0 "[ . 1 . 2]" 1
1289 1 82 GLU HB2 1 83 LEU QD . . 4.820 4.224 3.927 4.760 . 0 0 "[ . 1 . 2]" 1
1290 1 82 GLU HG2 1 83 LEU H . . 3.700 2.502 2.394 2.668 . 0 0 "[ . 1 . 2]" 1
1291 1 82 GLU HG2 1 83 LEU HA . . 5.060 4.718 4.585 5.014 . 0 0 "[ . 1 . 2]" 1
1292 1 82 GLU HG2 1 83 LEU QD . . 4.280 2.932 2.406 3.724 . 0 0 "[ . 1 . 2]" 1
1293 1 82 GLU HG2 1 83 LEU HG . . 4.780 4.461 3.949 4.782 0.002 19 0 "[ . 1 . 2]" 1
1294 1 82 GLU HG3 1 83 LEU H . . 5.500 2.470 2.264 2.581 . 0 0 "[ . 1 . 2]" 1
1295 1 82 GLU HG3 1 83 LEU HB3 . . 4.830 4.504 4.426 4.600 . 0 0 "[ . 1 . 2]" 1
1296 1 82 GLU HG3 1 83 LEU QD . . 4.690 2.234 1.903 2.900 . 0 0 "[ . 1 . 2]" 1
1297 1 82 GLU HG3 1 84 GLU H . . 5.500 4.570 4.506 4.611 . 0 0 "[ . 1 . 2]" 1
1298 1 83 LEU H 1 83 LEU HB3 . . 3.470 3.486 3.448 3.544 0.074 3 0 "[ . 1 . 2]" 1
1299 1 83 LEU H 1 83 LEU QD . . 3.870 3.089 2.651 3.459 . 0 0 "[ . 1 . 2]" 1
1300 1 83 LEU H 1 83 LEU HG . . 3.820 3.704 3.426 3.860 0.040 19 0 "[ . 1 . 2]" 1
1301 1 83 LEU H 1 84 GLU H . . 3.440 2.382 2.145 2.523 . 0 0 "[ . 1 . 2]" 1
1302 1 83 LEU H 1 84 GLU HA . . 4.670 4.518 4.399 4.581 . 0 0 "[ . 1 . 2]" 1
1303 1 83 LEU H 1 84 GLU HG2 . . 5.500 5.435 4.971 5.507 0.007 14 0 "[ . 1 . 2]" 1
1304 1 83 LEU H 1 85 ILE H . . 4.380 3.546 3.414 3.690 . 0 0 "[ . 1 . 2]" 1
1305 1 83 LEU H 1 85 ILE HB . . 5.500 5.083 4.817 5.501 0.001 6 0 "[ . 1 . 2]" 1
1306 1 83 LEU H 1 85 ILE MD . . 4.480 3.957 3.687 4.130 . 0 0 "[ . 1 . 2]" 1
1307 1 83 LEU H 1 85 ILE HG12 . . 5.300 5.216 4.879 5.323 0.023 5 0 "[ . 1 . 2]" 1
1308 1 83 LEU H 1 85 ILE HG13 . . 4.100 3.565 3.279 3.724 . 0 0 "[ . 1 . 2]" 1
1309 1 83 LEU HA 1 83 LEU QD . . 3.110 2.844 2.455 2.991 . 0 0 "[ . 1 . 2]" 1
1310 1 83 LEU HA 1 83 LEU HG . . 4.080 2.256 2.187 2.460 . 0 0 "[ . 1 . 2]" 1
1311 1 83 LEU HA 1 84 GLU HA . . 5.220 5.098 5.043 5.191 . 0 0 "[ . 1 . 2]" 1
1312 1 83 LEU HA 1 85 ILE H . . 5.210 4.649 4.506 4.763 . 0 0 "[ . 1 . 2]" 1
1313 1 83 LEU HB2 1 85 ILE HG13 . . 4.600 2.284 2.141 2.412 . 0 0 "[ . 1 . 2]" 1
1314 1 83 LEU HB3 1 83 LEU QD . . 2.940 2.030 1.922 2.090 . 0 0 "[ . 1 . 2]" 1
1315 1 83 LEU HB3 1 84 GLU H . . 4.270 4.062 3.818 4.187 . 0 0 "[ . 1 . 2]" 1
1316 1 83 LEU HB3 1 85 ILE HG13 . . 3.970 2.108 1.992 2.257 . 0 0 "[ . 1 . 2]" 1
1317 1 83 LEU HB3 1 98 GLN HE21 . . 5.450 2.694 1.967 3.461 . 0 0 "[ . 1 . 2]" 1
1318 1 83 LEU HB3 1 98 GLN HE22 . . 4.650 3.565 2.275 4.348 . 0 0 "[ . 1 . 2]" 1
1319 1 83 LEU HB3 1 98 GLN HG3 . . 4.640 4.096 2.918 5.465 0.825 6 1 "[ .+ 1 . 2]" 1
1320 1 83 LEU QD 1 84 GLU H . . 5.500 4.498 4.253 4.611 . 0 0 "[ . 1 . 2]" 1
1321 1 83 LEU QD 1 85 ILE MD . . 4.140 2.132 1.969 2.241 . 0 0 "[ . 1 . 2]" 1
1322 1 83 LEU QD 1 98 GLN HA . . 4.320 2.361 1.940 3.131 . 0 0 "[ . 1 . 2]" 1
1323 1 83 LEU QD 1 98 GLN HE21 . . 4.370 2.335 1.859 3.479 . 0 0 "[ . 1 . 2]" 1
1324 1 83 LEU QD 1 98 GLN HE22 . . 4.250 3.086 2.511 4.115 . 0 0 "[ . 1 . 2]" 1
1325 1 83 LEU QD 1 99 ARG H . . 5.250 4.356 4.209 4.667 . 0 0 "[ . 1 . 2]" 1
1326 1 83 LEU QD 1 99 ARG HA . . 4.050 4.072 3.957 4.169 0.119 6 0 "[ . 1 . 2]" 1
1327 1 83 LEU QD 1 100 LYS H . . 5.500 5.078 4.517 5.510 0.010 19 0 "[ . 1 . 2]" 1
1328 1 83 LEU QD 1 101 ALA H . . 4.430 3.788 3.103 4.110 . 0 0 "[ . 1 . 2]" 1
1329 1 83 LEU QD 1 101 ALA HA . . 4.800 4.518 3.955 4.852 0.052 12 0 "[ . 1 . 2]" 1
1330 1 83 LEU QD 1 101 ALA MB . . 3.110 2.221 1.821 2.682 . 0 0 "[ . 1 . 2]" 1
1331 1 83 LEU QD 1 102 LEU H . . 3.580 2.643 1.893 3.221 . 0 0 "[ . 1 . 2]" 1
1332 1 83 LEU QD 1 102 LEU HA . . 4.380 2.872 2.147 3.465 . 0 0 "[ . 1 . 2]" 1
1333 1 83 LEU QD 1 102 LEU QB . . 4.180 2.775 1.666 3.700 . 0 0 "[ . 1 . 2]" 1
1334 1 83 LEU QD 1 102 LEU HG . . 3.850 2.617 1.785 3.682 . 0 0 "[ . 1 . 2]" 1
1335 1 83 LEU QD 1 105 LYS HB2 . . 4.970 4.324 3.717 4.906 . 0 0 "[ . 1 . 2]" 1
1336 1 83 LEU QD 1 105 LYS QE . . 5.000 2.416 1.877 3.210 . 0 0 "[ . 1 . 2]" 1
1337 1 83 LEU HG 1 84 GLU H . . 5.260 5.043 4.996 5.112 . 0 0 "[ . 1 . 2]" 1
1338 1 83 LEU HG 1 85 ILE MD . . 4.100 4.090 4.002 4.139 0.039 1 0 "[ . 1 . 2]" 1
1339 1 83 LEU HG 1 85 ILE HG13 . . 5.400 4.690 4.655 4.738 . 0 0 "[ . 1 . 2]" 1
1340 1 83 LEU HG 1 98 GLN HE22 . . 5.500 4.559 3.291 5.893 0.393 9 0 "[ . 1 . 2]" 1
1341 1 83 LEU HG 1 101 ALA MB . . 5.030 3.757 2.878 4.603 . 0 0 "[ . 1 . 2]" 1
1342 1 83 LEU HG 1 105 LYS QE . . 5.500 3.670 2.396 4.736 . 0 0 "[ . 1 . 2]" 1
1343 1 84 GLU H 1 84 GLU HG2 . . 3.730 3.229 3.076 3.377 . 0 0 "[ . 1 . 2]" 1
1344 1 84 GLU H 1 84 GLU HG3 . . 3.480 2.807 2.677 3.032 . 0 0 "[ . 1 . 2]" 1
1345 1 84 GLU H 1 85 ILE H . . 3.290 2.731 2.563 2.826 . 0 0 "[ . 1 . 2]" 1
1346 1 84 GLU H 1 85 ILE HB . . 5.390 5.208 5.060 5.357 . 0 0 "[ . 1 . 2]" 1
1347 1 84 GLU H 1 85 ILE HG13 . . 4.170 3.774 3.532 3.941 . 0 0 "[ . 1 . 2]" 1
1348 1 84 GLU HA 1 84 GLU HG2 . . 3.570 2.686 2.644 2.728 . 0 0 "[ . 1 . 2]" 1
1349 1 84 GLU HA 1 84 GLU HG3 . . 3.710 3.252 3.175 3.346 . 0 0 "[ . 1 . 2]" 1
1350 1 84 GLU HA 1 85 ILE H . . 3.280 2.859 2.795 2.953 . 0 0 "[ . 1 . 2]" 1
1351 1 84 GLU HA 1 85 ILE HG13 . . 4.610 4.633 4.549 4.694 0.084 5 0 "[ . 1 . 2]" 1
1352 1 84 GLU HB2 1 85 ILE H . . 4.590 4.146 4.045 4.207 . 0 0 "[ . 1 . 2]" 1
1353 1 84 GLU HB2 1 98 GLN HE21 . . 5.500 4.387 3.426 5.364 . 0 0 "[ . 1 . 2]" 1
1354 1 84 GLU HB3 1 85 ILE H . . 4.490 4.512 4.500 4.531 0.041 6 0 "[ . 1 . 2]" 1
1355 1 84 GLU HB3 1 85 ILE HA . . 5.500 5.084 5.036 5.172 . 0 0 "[ . 1 . 2]" 1
1356 1 84 GLU HG2 1 85 ILE H . . 5.260 5.150 5.084 5.202 . 0 0 "[ . 1 . 2]" 1
1357 1 84 GLU HG3 1 85 ILE H . . 4.830 4.823 4.763 4.841 0.011 10 0 "[ . 1 . 2]" 1
1358 1 84 GLU HG3 1 98 GLN HE21 . . 5.500 5.124 4.413 5.987 0.487 18 0 "[ . 1 . 2]" 1
1359 1 85 ILE H 1 85 ILE HB . . 3.360 2.651 2.569 2.752 . 0 0 "[ . 1 . 2]" 1
1360 1 85 ILE H 1 85 ILE MD . . 3.990 3.546 3.408 3.645 . 0 0 "[ . 1 . 2]" 1
1361 1 85 ILE H 1 85 ILE HG12 . . 4.480 3.345 3.062 3.496 . 0 0 "[ . 1 . 2]" 1
1362 1 85 ILE H 1 85 ILE HG13 . . 3.490 2.060 1.890 2.196 . 0 0 "[ . 1 . 2]" 1
1363 1 85 ILE H 1 85 ILE MG . . 4.250 3.794 3.780 3.813 . 0 0 "[ . 1 . 2]" 1
1364 1 85 ILE H 1 98 GLN HE21 . . 5.500 5.250 4.279 6.409 0.909 11 4 "[ . 1+ .* -*2]" 1
1365 1 85 ILE HA 1 85 ILE HG13 . . 3.930 3.123 3.007 3.291 . 0 0 "[ . 1 . 2]" 1
1366 1 85 ILE HB 1 85 ILE MD . . 3.320 2.377 2.262 2.461 . 0 0 "[ . 1 . 2]" 1
1367 1 85 ILE MD 1 85 ILE MG . . 2.990 2.036 1.914 2.167 . 0 0 "[ . 1 . 2]" 1
1368 1 85 ILE MD 1 86 ALA H . . 5.500 4.925 4.841 5.157 . 0 0 "[ . 1 . 2]" 1
1369 1 85 ILE HG12 1 98 GLN HB2 . . 5.450 3.806 2.885 5.106 . 0 0 "[ . 1 . 2]" 1
1370 1 85 ILE HG12 1 98 GLN HE21 . . 5.500 3.717 2.556 4.629 . 0 0 "[ . 1 . 2]" 1
1371 1 85 ILE HG13 1 98 GLN HG3 . . 5.430 4.382 3.118 5.608 0.178 6 0 "[ . 1 . 2]" 1
1372 1 85 ILE MG 1 86 ALA H . . 3.890 2.062 1.920 2.583 . 0 0 "[ . 1 . 2]" 1
1373 1 85 ILE MG 1 87 PRO HA . . 5.500 4.881 4.579 5.269 . 0 0 "[ . 1 . 2]" 1
1374 1 85 ILE MG 1 89 ARG H . . 4.610 4.326 3.853 4.540 . 0 0 "[ . 1 . 2]" 1
1375 1 85 ILE MG 1 89 ARG HB2 . . 5.390 2.955 2.339 3.446 . 0 0 "[ . 1 . 2]" 1
1376 1 85 ILE MG 1 89 ARG HB3 . . 4.370 2.843 2.578 3.093 . 0 0 "[ . 1 . 2]" 1
1377 1 85 ILE MG 1 89 ARG QD . . 5.500 3.691 2.816 4.368 . 0 0 "[ . 1 . 2]" 1
1378 1 85 ILE MG 1 98 GLN HE21 . . 5.500 5.326 4.092 6.089 0.589 16 3 "[ . 1- .+ *2]" 1
1379 1 85 ILE MG 1 98 GLN HG3 . . 4.550 4.024 2.947 4.614 0.064 2 0 "[ . 1 . 2]" 1
1380 1 86 ALA H 1 89 ARG H . . 5.080 5.064 4.795 5.163 0.083 20 0 "[ . 1 . 2]" 1
1381 1 86 ALA H 1 89 ARG HB3 . . 5.500 4.258 3.751 4.699 . 0 0 "[ . 1 . 2]" 1
1382 1 86 ALA H 1 89 ARG QD . . 5.500 3.860 2.679 5.245 . 0 0 "[ . 1 . 2]" 1
1383 1 86 ALA HA 1 87 PRO HA . . 4.790 4.399 4.394 4.405 . 0 0 "[ . 1 . 2]" 1
1384 1 86 ALA HA 1 87 PRO HB3 . . 5.090 4.834 4.830 4.841 . 0 0 "[ . 1 . 2]" 1
1385 1 86 ALA HA 1 89 ARG H . . 5.180 5.006 4.550 5.182 0.002 18 0 "[ . 1 . 2]" 1
1386 1 86 ALA MB 1 87 PRO HA . . 5.500 4.443 4.417 4.483 . 0 0 "[ . 1 . 2]" 1
1387 1 86 ALA MB 1 87 PRO HB3 . . 5.500 5.179 5.109 5.249 . 0 0 "[ . 1 . 2]" 1
1388 1 86 ALA MB 1 88 THR H . . 5.500 2.810 2.464 3.046 . 0 0 "[ . 1 . 2]" 1
1389 1 86 ALA MB 1 89 ARG H . . 4.390 3.106 2.629 3.475 . 0 0 "[ . 1 . 2]" 1
1390 1 86 ALA MB 1 89 ARG QD . . 5.460 2.569 1.877 4.421 . 0 0 "[ . 1 . 2]" 1
1391 1 87 PRO HA 1 89 ARG H . . 5.100 3.802 3.607 3.997 . 0 0 "[ . 1 . 2]" 1
1392 1 87 PRO HB2 1 88 THR HA . . 4.870 4.195 4.086 4.439 . 0 0 "[ . 1 . 2]" 1
1393 1 87 PRO HB2 1 88 THR MG . . 4.190 3.082 2.705 4.104 . 0 0 "[ . 1 . 2]" 1
1394 1 87 PRO HB3 1 88 THR MG . . 4.920 4.407 4.134 5.081 0.161 5 0 "[ . 1 . 2]" 1
1395 1 88 THR H 1 88 THR MG . . 4.380 2.327 1.906 3.002 . 0 0 "[ . 1 . 2]" 1
1396 1 88 THR H 1 89 ARG H . . 4.860 2.837 2.547 2.948 . 0 0 "[ . 1 . 2]" 1
1397 1 88 THR HA 1 88 THR MG . . 3.170 2.474 2.108 3.205 0.035 5 0 "[ . 1 . 2]" 1
1398 1 88 THR HB 1 89 ARG H . . 5.350 4.502 4.351 4.633 . 0 0 "[ . 1 . 2]" 1
1399 1 88 THR MG 1 89 ARG H . . 5.060 4.241 3.669 4.410 . 0 0 "[ . 1 . 2]" 1
1400 1 88 THR MG 1 89 ARG HA . . 5.500 5.433 3.792 5.545 0.045 20 0 "[ . 1 . 2]" 1
1401 1 89 ARG H 1 89 ARG HB2 . . 3.480 2.394 2.243 2.555 . 0 0 "[ . 1 . 2]" 1
1402 1 89 ARG H 1 89 ARG HB3 . . 3.460 2.828 2.648 2.985 . 0 0 "[ . 1 . 2]" 1
1403 1 89 ARG H 1 89 ARG QD . . 5.120 4.008 3.571 4.469 . 0 0 "[ . 1 . 2]" 1
1404 1 89 ARG H 1 90 ARG H . . 5.500 4.584 4.532 4.609 . 0 0 "[ . 1 . 2]" 1
1405 1 89 ARG H 1 90 ARG HA . . 5.470 5.262 5.128 5.358 . 0 0 "[ . 1 . 2]" 1
1406 1 89 ARG H 1 90 ARG HG3 . . 5.200 5.007 4.727 5.220 0.020 12 0 "[ . 1 . 2]" 1
1407 1 89 ARG HA 1 89 ARG QD . . 3.600 2.566 1.964 3.315 . 0 0 "[ . 1 . 2]" 1
1408 1 89 ARG HA 1 89 ARG QG . . 3.670 2.454 2.135 2.699 . 0 0 "[ . 1 . 2]" 1
1409 1 89 ARG HA 1 90 ARG HA . . 5.500 4.394 4.377 4.402 . 0 0 "[ . 1 . 2]" 1
1410 1 89 ARG HA 1 90 ARG HE . . 5.500 3.125 2.009 3.715 . 0 0 "[ . 1 . 2]" 1
1411 1 89 ARG HA 1 90 ARG HG2 . . 5.500 5.223 4.903 5.369 . 0 0 "[ . 1 . 2]" 1
1412 1 89 ARG HA 1 90 ARG HG3 . . 5.500 3.502 3.154 3.663 . 0 0 "[ . 1 . 2]" 1
1413 1 89 ARG HA 1 90 ARG HH21 . . 3.870 3.467 1.971 3.899 0.029 11 0 "[ . 1 . 2]" 1
1414 1 89 ARG HB2 1 89 ARG QD . . 3.780 2.396 1.977 3.297 . 0 0 "[ . 1 . 2]" 1
1415 1 89 ARG HB2 1 90 ARG H . . 5.290 4.154 4.015 4.271 . 0 0 "[ . 1 . 2]" 1
1416 1 89 ARG QD 1 90 ARG H . . 4.380 3.157 1.897 3.914 . 0 0 "[ . 1 . 2]" 1
1417 1 89 ARG QD 1 90 ARG HH21 . . 5.500 2.898 1.968 3.565 . 0 0 "[ . 1 . 2]" 1
1418 1 89 ARG QD 1 94 LEU H . . 5.260 3.643 2.584 4.625 . 0 0 "[ . 1 . 2]" 1
1419 1 89 ARG QD 1 94 LEU HA . . 5.420 4.778 2.297 5.303 . 0 0 "[ . 1 . 2]" 1
1420 1 89 ARG QD 1 94 LEU QB . . 4.350 3.177 2.065 4.106 . 0 0 "[ . 1 . 2]" 1
1421 1 89 ARG QD 1 94 LEU QD . . 5.500 3.271 1.859 4.785 . 0 0 "[ . 1 . 2]" 1
1422 1 89 ARG HE 1 90 ARG H . . 5.500 4.908 2.634 5.518 0.018 9 0 "[ . 1 . 2]" 1
1423 1 89 ARG HE 1 90 ARG HH21 . . 5.500 4.732 2.014 5.525 0.025 5 0 "[ . 1 . 2]" 1
1424 1 89 ARG HE 1 94 LEU H . . 5.330 4.092 2.652 5.123 . 0 0 "[ . 1 . 2]" 1
1425 1 89 ARG HE 1 94 LEU HA . . 4.940 4.530 2.218 4.987 0.047 6 0 "[ . 1 . 2]" 1
1426 1 89 ARG HE 1 94 LEU QB . . 5.500 2.733 1.941 5.344 . 0 0 "[ . 1 . 2]" 1
1427 1 89 ARG HE 1 94 LEU QD . . 5.360 3.360 1.744 4.791 . 0 0 "[ . 1 . 2]" 1
1428 1 89 ARG QG 1 90 ARG H . . 5.500 2.275 1.941 3.136 . 0 0 "[ . 1 . 2]" 1
1429 1 89 ARG QG 1 90 ARG HE . . 3.650 3.494 2.901 3.663 0.013 20 0 "[ . 1 . 2]" 1
1430 1 89 ARG QG 1 94 LEU H . . 3.780 3.365 2.503 3.754 . 0 0 "[ . 1 . 2]" 1
1431 1 89 ARG QG 1 94 LEU QB . . 3.930 2.959 2.068 3.514 . 0 0 "[ . 1 . 2]" 1
1432 1 90 ARG H 1 90 ARG HD2 . . 5.170 4.045 2.962 4.299 . 0 0 "[ . 1 . 2]" 1
1433 1 90 ARG H 1 90 ARG HE . . 5.270 1.902 1.837 2.216 . 0 0 "[ . 1 . 2]" 1
1434 1 90 ARG H 1 90 ARG HG2 . . 5.500 4.103 3.527 4.224 . 0 0 "[ . 1 . 2]" 1
1435 1 90 ARG H 1 90 ARG HG3 . . 5.470 2.746 2.045 2.905 . 0 0 "[ . 1 . 2]" 1
1436 1 90 ARG H 1 90 ARG HH21 . . 5.500 3.124 2.858 3.290 . 0 0 "[ . 1 . 2]" 1
1437 1 90 ARG H 1 91 LEU H . . 5.500 4.449 4.303 4.504 . 0 0 "[ . 1 . 2]" 1
1438 1 90 ARG HB2 1 90 ARG HE . . 3.700 2.407 1.950 3.834 0.134 12 0 "[ . 1 . 2]" 1
1439 1 90 ARG HB3 1 91 LEU H . . 5.120 2.265 2.009 3.035 . 0 0 "[ . 1 . 2]" 1
1440 1 90 ARG HE 1 94 LEU H . . 5.500 4.439 3.040 5.261 . 0 0 "[ . 1 . 2]" 1
1441 1 90 ARG HG3 1 90 ARG HH21 . . 5.240 4.738 4.299 4.861 . 0 0 "[ . 1 . 2]" 1
1442 1 90 ARG HG3 1 91 LEU H . . 5.450 4.549 4.452 4.791 . 0 0 "[ . 1 . 2]" 1
1443 1 90 ARG HH21 1 93 GLY HA3 . . 4.960 2.717 1.928 4.798 . 0 0 "[ . 1 . 2]" 1
1444 1 90 ARG HH21 1 94 LEU H . . 3.640 3.651 3.283 4.215 0.575 9 1 "[ . +1 . 2]" 1
1445 1 90 ARG HH21 1 94 LEU QD . . 5.500 3.870 2.605 5.112 . 0 0 "[ . 1 . 2]" 1
1446 1 91 LEU H 1 91 LEU HB2 . . 4.150 2.264 2.047 2.756 . 0 0 "[ . 1 . 2]" 1
1447 1 92 ARG H 1 92 ARG QD . . 5.500 4.096 3.577 4.769 . 0 0 "[ . 1 . 2]" 1
1448 1 92 ARG HA 1 92 ARG QD . . 5.050 4.209 3.914 4.592 . 0 0 "[ . 1 . 2]" 1
1449 1 92 ARG HB2 1 92 ARG QD . . 3.400 2.568 2.173 3.147 . 0 0 "[ . 1 . 2]" 1
1450 1 92 ARG HB3 1 93 GLY H . . 5.500 4.070 2.863 4.638 . 0 0 "[ . 1 . 2]" 1
1451 1 93 GLY H 1 94 LEU H . . 5.500 3.051 1.989 4.211 . 0 0 "[ . 1 . 2]" 1
1452 1 93 GLY H 1 94 LEU QD . . 4.550 4.156 2.328 4.600 0.050 8 0 "[ . 1 . 2]" 1
1453 1 94 LEU H 1 94 LEU QB . . 3.210 2.450 2.039 2.715 . 0 0 "[ . 1 . 2]" 1
1454 1 94 LEU H 1 94 LEU QD . . 3.840 2.658 1.856 3.254 . 0 0 "[ . 1 . 2]" 1
1455 1 94 LEU HA 1 94 LEU QD . . 3.700 2.420 1.878 3.375 . 0 0 "[ . 1 . 2]" 1
1456 1 94 LEU HA 1 95 GLY H . . 3.150 2.449 2.163 2.727 . 0 0 "[ . 1 . 2]" 1
1457 1 94 LEU QB 1 95 GLY H . . 4.330 2.542 1.937 3.920 . 0 0 "[ . 1 . 2]" 1
1458 1 94 LEU QB 1 95 GLY HA2 . . 5.500 4.081 3.613 4.700 . 0 0 "[ . 1 . 2]" 1
1459 1 94 LEU QD 1 95 GLY HA2 . . 5.460 4.482 3.122 5.226 . 0 0 "[ . 1 . 2]" 1
1460 1 94 LEU HG 1 95 GLY H . . 5.330 4.058 2.029 5.359 0.029 8 0 "[ . 1 . 2]" 1
1461 1 97 ARG H 1 97 ARG HB3 . . 3.650 2.948 2.354 3.585 . 0 0 "[ . 1 . 2]" 1
1462 1 97 ARG H 1 97 ARG QD . . 5.490 4.232 3.270 4.821 . 0 0 "[ . 1 . 2]" 1
1463 1 97 ARG H 1 97 ARG HG3 . . 5.500 4.313 3.054 4.622 . 0 0 "[ . 1 . 2]" 1
1464 1 97 ARG H 1 98 GLN HG3 . . 5.500 5.531 4.708 6.333 0.833 12 3 "[ . - 1 + *. 2]" 1
1465 1 97 ARG H 1 99 ARG H . . 5.500 4.313 3.478 4.870 . 0 0 "[ . 1 . 2]" 1
1466 1 97 ARG HA 1 99 ARG H . . 5.500 4.444 3.773 5.027 . 0 0 "[ . 1 . 2]" 1
1467 1 97 ARG HA 1 100 LYS H . . 4.270 3.489 2.994 4.036 . 0 0 "[ . 1 . 2]" 1
1468 1 97 ARG HA 1 100 LYS QB . . 3.850 2.813 2.196 3.535 . 0 0 "[ . 1 . 2]" 1
1469 1 97 ARG HB3 1 99 ARG H . . 5.200 5.141 4.472 5.775 0.575 8 1 "[ . + 1 . 2]" 1
1470 1 97 ARG QD 1 100 LYS QB . . 3.880 3.293 2.071 3.724 . 0 0 "[ . 1 . 2]" 1
1471 1 98 GLN H 1 99 ARG H . . 5.440 2.849 2.499 3.030 . 0 0 "[ . 1 . 2]" 1
1472 1 98 GLN H 1 99 ARG HA . . 5.500 5.404 5.115 5.540 0.040 14 0 "[ . 1 . 2]" 1
1473 1 98 GLN HA 1 98 GLN HE21 . . 4.940 2.656 1.944 3.559 . 0 0 "[ . 1 . 2]" 1
1474 1 98 GLN HA 1 98 GLN HE22 . . 3.540 3.397 2.946 4.145 0.605 6 1 "[ .+ 1 . 2]" 1
1475 1 98 GLN HA 1 99 ARG HE . . 5.300 5.077 4.438 5.321 0.021 14 0 "[ . 1 . 2]" 1
1476 1 98 GLN HA 1 101 ALA H . . 3.890 3.585 3.128 3.885 . 0 0 "[ . 1 . 2]" 1
1477 1 98 GLN HA 1 101 ALA MB . . 3.730 2.960 2.305 3.730 . 0 0 "[ . 1 . 2]" 1
1478 1 98 GLN HA 1 102 LEU H . . 4.620 4.113 3.423 4.715 0.095 10 0 "[ . 1 . 2]" 1
1479 1 98 GLN HB2 1 98 GLN HE22 . . 5.050 4.940 4.863 5.052 0.002 1 0 "[ . 1 . 2]" 1
1480 1 98 GLN HB2 1 99 ARG H . . 4.090 2.454 2.135 2.853 . 0 0 "[ . 1 . 2]" 1
1481 1 98 GLN HB2 1 99 ARG HE . . 3.920 2.872 2.044 3.724 . 0 0 "[ . 1 . 2]" 1
1482 1 98 GLN HB2 1 99 ARG HG3 . . 5.500 5.180 4.575 5.796 0.296 5 0 "[ . 1 . 2]" 1
1483 1 98 GLN HB2 1 100 LYS H . . 5.500 4.928 4.469 5.364 . 0 0 "[ . 1 . 2]" 1
1484 1 98 GLN HB2 1 102 LEU HG . . 5.310 5.306 4.713 6.301 0.991 14 1 "[ . 1 +. 2]" 1
1485 1 98 GLN HB3 1 99 ARG H . . 5.180 3.656 3.082 3.975 . 0 0 "[ . 1 . 2]" 1
1486 1 98 GLN HB3 1 99 ARG HE . . 3.870 3.685 3.093 3.992 0.122 5 0 "[ . 1 . 2]" 1
1487 1 98 GLN HE21 1 101 ALA MB . . 5.500 4.412 3.518 5.480 . 0 0 "[ . 1 . 2]" 1
1488 1 98 GLN HG3 1 99 ARG H . . 4.370 4.701 4.352 5.245 0.875 12 7 "[ *-. * 1 +**. *]" 1
1489 1 99 ARG H 1 99 ARG HB2 . . 3.150 2.382 2.066 2.719 . 0 0 "[ . 1 . 2]" 1
1490 1 99 ARG H 1 99 ARG HB3 . . 3.730 3.523 3.312 3.600 . 0 0 "[ . 1 . 2]" 1
1491 1 99 ARG H 1 99 ARG HE . . 3.540 3.012 1.868 3.541 0.001 12 0 "[ . 1 . 2]" 1
1492 1 99 ARG H 1 99 ARG HG3 . . 4.450 3.738 3.328 4.377 . 0 0 "[ . 1 . 2]" 1
1493 1 99 ARG H 1 100 LYS H . . 3.500 2.741 2.524 2.960 . 0 0 "[ . 1 . 2]" 1
1494 1 99 ARG H 1 100 LYS HA . . 5.500 5.318 5.131 5.492 . 0 0 "[ . 1 . 2]" 1
1495 1 99 ARG H 1 101 ALA H . . 4.740 4.190 3.730 4.725 . 0 0 "[ . 1 . 2]" 1
1496 1 99 ARG H 1 102 LEU H . . 5.160 4.831 4.637 5.024 . 0 0 "[ . 1 . 2]" 1
1497 1 99 ARG H 1 102 LEU QB . . 5.500 5.067 4.490 5.400 . 0 0 "[ . 1 . 2]" 1
1498 1 99 ARG H 1 102 LEU QD . . 4.220 3.778 3.298 4.160 . 0 0 "[ . 1 . 2]" 1
1499 1 99 ARG H 1 102 LEU HG . . 5.500 5.040 4.398 5.508 0.008 12 0 "[ . 1 . 2]" 1
1500 1 99 ARG HA 1 99 ARG HD3 . . 4.940 2.713 1.934 4.229 . 0 0 "[ . 1 . 2]" 1
1501 1 99 ARG HA 1 99 ARG HE . . 5.500 2.725 2.275 3.373 . 0 0 "[ . 1 . 2]" 1
1502 1 99 ARG HA 1 99 ARG HG3 . . 3.990 3.266 2.102 3.826 . 0 0 "[ . 1 . 2]" 1
1503 1 99 ARG HA 1 101 ALA H . . 5.500 4.193 3.862 4.985 . 0 0 "[ . 1 . 2]" 1
1504 1 99 ARG HA 1 102 LEU H . . 4.400 3.531 3.015 4.044 . 0 0 "[ . 1 . 2]" 1
1505 1 99 ARG HA 1 102 LEU QB . . 4.430 3.015 1.988 3.981 . 0 0 "[ . 1 . 2]" 1
1506 1 99 ARG HA 1 102 LEU QD . . 3.540 2.084 1.899 2.618 . 0 0 "[ . 1 . 2]" 1
1507 1 99 ARG HA 1 102 LEU HG . . 4.760 3.050 2.020 3.968 . 0 0 "[ . 1 . 2]" 1
1508 1 99 ARG HA 1 103 LEU H . . 4.930 4.247 3.752 4.863 . 0 0 "[ . 1 . 2]" 1
1509 1 99 ARG HB2 1 100 LYS H . . 3.780 2.767 2.227 3.381 . 0 0 "[ . 1 . 2]" 1
1510 1 99 ARG HB2 1 100 LYS HA . . 4.950 4.504 4.091 5.054 0.104 5 0 "[ . 1 . 2]" 1
1511 1 99 ARG HB3 1 100 LYS H . . 3.840 3.458 2.473 3.865 0.025 15 0 "[ . 1 . 2]" 1
1512 1 99 ARG HE 1 102 LEU QB . . 5.500 4.504 3.635 5.245 . 0 0 "[ . 1 . 2]" 1
1513 1 99 ARG HE 1 102 LEU QD . . 4.680 2.437 1.841 3.650 . 0 0 "[ . 1 . 2]" 1
1514 1 100 LYS H 1 100 LYS QB . . 2.880 2.199 2.128 2.265 . 0 0 "[ . 1 . 2]" 1
1515 1 100 LYS H 1 100 LYS QG . . 4.370 3.972 3.875 4.025 . 0 0 "[ . 1 . 2]" 1
1516 1 100 LYS H 1 101 ALA H . . 3.360 2.699 2.414 2.959 . 0 0 "[ . 1 . 2]" 1
1517 1 100 LYS H 1 102 LEU QD . . 5.500 4.750 4.304 5.299 . 0 0 "[ . 1 . 2]" 1
1518 1 100 LYS HA 1 100 LYS QG . . 3.780 2.431 2.252 3.098 . 0 0 "[ . 1 . 2]" 1
1519 1 100 LYS HA 1 104 GLU QG . . 4.880 4.473 4.102 4.747 . 0 0 "[ . 1 . 2]" 1
1520 1 100 LYS QB 1 101 ALA H . . 3.270 2.710 2.184 2.995 . 0 0 "[ . 1 . 2]" 1
1521 1 100 LYS QB 1 101 ALA MB . . 4.470 3.789 3.565 4.018 . 0 0 "[ . 1 . 2]" 1
1522 1 100 LYS QG 1 101 ALA H . . 4.610 3.855 2.818 4.249 . 0 0 "[ . 1 . 2]" 1
1523 1 100 LYS QG 1 101 ALA HA . . 4.910 3.991 3.124 4.511 . 0 0 "[ . 1 . 2]" 1
1524 1 100 LYS QG 1 104 GLU QG . . 5.090 3.567 3.024 3.998 . 0 0 "[ . 1 . 2]" 1
1525 1 101 ALA H 1 101 ALA MB . . 2.970 2.182 2.075 2.290 . 0 0 "[ . 1 . 2]" 1
1526 1 101 ALA H 1 102 LEU H . . 3.370 2.593 2.383 2.858 . 0 0 "[ . 1 . 2]" 1
1527 1 101 ALA H 1 102 LEU QB . . 5.500 4.479 4.111 4.737 . 0 0 "[ . 1 . 2]" 1
1528 1 101 ALA H 1 102 LEU QD . . 5.500 4.501 3.348 5.139 . 0 0 "[ . 1 . 2]" 1
1529 1 101 ALA H 1 104 GLU QG . . 5.500 4.561 4.115 4.857 . 0 0 "[ . 1 . 2]" 1
1530 1 101 ALA H 1 105 LYS QE . . 5.500 4.873 4.347 5.269 . 0 0 "[ . 1 . 2]" 1
1531 1 101 ALA HA 1 104 GLU H . . 4.030 3.409 3.127 3.719 . 0 0 "[ . 1 . 2]" 1
1532 1 101 ALA HA 1 104 GLU HB2 . . 3.670 3.318 2.755 3.710 0.040 6 0 "[ . 1 . 2]" 1
1533 1 101 ALA HA 1 104 GLU QG . . 4.200 2.459 1.992 2.892 . 0 0 "[ . 1 . 2]" 1
1534 1 101 ALA HA 1 105 LYS H . . 4.580 4.409 4.048 4.767 0.187 4 0 "[ . 1 . 2]" 1
1535 1 101 ALA HA 1 105 LYS HD3 . . 4.210 3.983 3.576 4.274 0.064 4 0 "[ . 1 . 2]" 1
1536 1 101 ALA MB 1 102 LEU H . . 3.550 2.437 2.114 2.709 . 0 0 "[ . 1 . 2]" 1
1537 1 101 ALA MB 1 102 LEU HA . . 4.610 3.710 3.576 3.814 . 0 0 "[ . 1 . 2]" 1
1538 1 101 ALA MB 1 102 LEU QD . . 4.980 3.998 2.687 4.336 . 0 0 "[ . 1 . 2]" 1
1539 1 101 ALA MB 1 104 GLU H . . 4.900 4.558 4.312 4.807 . 0 0 "[ . 1 . 2]" 1
1540 1 101 ALA MB 1 104 GLU HB2 . . 4.710 4.263 3.678 4.724 0.014 6 0 "[ . 1 . 2]" 1
1541 1 101 ALA MB 1 104 GLU QG . . 5.250 3.975 3.607 4.290 . 0 0 "[ . 1 . 2]" 1
1542 1 101 ALA MB 1 105 LYS HD2 . . 4.270 3.727 3.102 4.306 0.036 6 0 "[ . 1 . 2]" 1
1543 1 101 ALA MB 1 105 LYS QE . . 4.830 2.335 1.902 2.832 . 0 0 "[ . 1 . 2]" 1
1544 1 102 LEU H 1 102 LEU QB . . 3.350 2.302 2.118 2.475 . 0 0 "[ . 1 . 2]" 1
1545 1 102 LEU H 1 102 LEU QD . . 4.250 3.108 1.996 3.403 . 0 0 "[ . 1 . 2]" 1
1546 1 102 LEU H 1 102 LEU HG . . 3.540 2.649 2.254 3.771 0.231 10 0 "[ . 1 . 2]" 1
1547 1 102 LEU H 1 104 GLU QG . . 5.500 5.068 4.515 5.373 . 0 0 "[ . 1 . 2]" 1
1548 1 102 LEU H 1 105 LYS H . . 5.500 5.030 4.739 5.354 . 0 0 "[ . 1 . 2]" 1
1549 1 102 LEU H 1 105 LYS HB2 . . 5.500 5.148 4.758 5.508 0.008 19 0 "[ . 1 . 2]" 1
1550 1 102 LEU HA 1 105 LYS HB2 . . 3.960 2.769 2.292 3.081 . 0 0 "[ . 1 . 2]" 1
1551 1 102 LEU HA 1 105 LYS QE . . 4.470 2.141 1.899 2.450 . 0 0 "[ . 1 . 2]" 1
1552 1 102 LEU QB 1 103 LEU H . . 4.710 3.058 2.409 3.616 . 0 0 "[ . 1 . 2]" 1
1553 1 102 LEU QB 1 105 LYS QE . . 5.210 3.749 3.242 4.340 . 0 0 "[ . 1 . 2]" 1
1554 1 102 LEU QD 1 103 LEU H . . 5.500 3.541 2.520 4.279 . 0 0 "[ . 1 . 2]" 1
1555 1 102 LEU HG 1 103 LEU H . . 4.950 3.772 2.052 4.952 0.002 17 0 "[ . 1 . 2]" 1
1556 1 103 LEU H 1 103 LEU HB2 . . 3.390 2.326 2.104 2.757 . 0 0 "[ . 1 . 2]" 1
1557 1 103 LEU H 1 103 LEU HB3 . . 3.590 2.742 2.320 3.018 . 0 0 "[ . 1 . 2]" 1
1558 1 103 LEU H 1 104 GLU HB2 . . 5.090 4.968 4.768 5.125 0.035 12 0 "[ . 1 . 2]" 1
1559 1 103 LEU H 1 104 GLU QG . . 5.500 4.069 3.743 4.459 . 0 0 "[ . 1 . 2]" 1
1560 1 103 LEU H 1 105 LYS H . . 5.010 4.146 3.924 4.486 . 0 0 "[ . 1 . 2]" 1
1561 1 103 LEU H 1 105 LYS HB2 . . 5.500 4.994 4.690 5.296 . 0 0 "[ . 1 . 2]" 1
1562 1 103 LEU H 1 105 LYS QE . . 5.500 4.636 4.346 4.921 . 0 0 "[ . 1 . 2]" 1
1563 1 103 LEU HA 1 103 LEU QD . . 3.020 2.361 1.896 2.901 . 0 0 "[ . 1 . 2]" 1
1564 1 103 LEU HA 1 103 LEU HG . . 4.240 3.029 2.373 3.704 . 0 0 "[ . 1 . 2]" 1
1565 1 103 LEU HB2 1 104 GLU H . . 3.710 3.594 3.324 3.808 0.098 2 0 "[ . 1 . 2]" 1
1566 1 103 LEU HB2 1 104 GLU QG . . 5.500 4.615 4.313 5.195 . 0 0 "[ . 1 . 2]" 1
1567 1 103 LEU HB3 1 103 LEU QD . . 3.180 2.172 2.015 2.448 . 0 0 "[ . 1 . 2]" 1
1568 1 103 LEU HB3 1 104 GLU H . . 4.120 2.476 2.272 3.185 . 0 0 "[ . 1 . 2]" 1
1569 1 103 LEU HB3 1 104 GLU HA . . 4.310 4.013 3.789 4.366 0.056 15 0 "[ . 1 . 2]" 1
1570 1 103 LEU HB3 1 104 GLU QG . . 5.500 3.242 2.925 3.600 . 0 0 "[ . 1 . 2]" 1
1571 1 103 LEU HB3 1 105 LYS H . . 5.070 4.967 4.755 5.105 0.035 9 0 "[ . 1 . 2]" 1
1572 1 103 LEU QD 1 104 GLU H . . 4.570 3.438 3.028 3.956 . 0 0 "[ . 1 . 2]" 1
1573 1 103 LEU QD 1 104 GLU HA . . 5.500 3.278 2.863 3.687 . 0 0 "[ . 1 . 2]" 1
1574 1 103 LEU QD 1 104 GLU QG . . 5.210 3.664 2.946 4.296 . 0 0 "[ . 1 . 2]" 1
1575 1 103 LEU QD 1 107 GLY HA2 . . 5.400 4.075 2.612 5.128 . 0 0 "[ . 1 . 2]" 1
1576 1 103 LEU QD 1 107 GLY HA3 . . 4.860 4.764 3.912 4.921 0.061 4 0 "[ . 1 . 2]" 1
1577 1 104 GLU H 1 104 GLU HB2 . . 3.190 2.677 2.603 2.749 . 0 0 "[ . 1 . 2]" 1
1578 1 104 GLU H 1 104 GLU HB3 . . 3.550 3.589 3.575 3.646 0.096 12 0 "[ . 1 . 2]" 1
1579 1 104 GLU H 1 104 GLU QG . . 3.680 2.142 1.907 2.400 . 0 0 "[ . 1 . 2]" 1
1580 1 104 GLU H 1 105 LYS H . . 3.370 2.750 2.287 2.992 . 0 0 "[ . 1 . 2]" 1
1581 1 104 GLU H 1 105 LYS QE . . 5.500 4.773 4.477 4.955 . 0 0 "[ . 1 . 2]" 1
1582 1 104 GLU H 1 106 PHE H . . 5.210 4.045 3.849 4.201 . 0 0 "[ . 1 . 2]" 1
1583 1 104 GLU HA 1 104 GLU QG . . 3.480 2.663 2.468 3.160 . 0 0 "[ . 1 . 2]" 1
1584 1 104 GLU HA 1 107 GLY H . . 4.030 3.231 2.862 3.522 . 0 0 "[ . 1 . 2]" 1
1585 1 104 GLU HA 1 108 SER H . . 5.270 4.307 2.087 5.395 0.125 12 0 "[ . 1 . 2]" 1
1586 1 104 GLU HB2 1 105 LYS H . . 3.720 2.552 2.208 3.129 . 0 0 "[ . 1 . 2]" 1
1587 1 104 GLU HB2 1 105 LYS HD3 . . 3.360 3.031 2.548 3.483 0.123 12 0 "[ . 1 . 2]" 1
1588 1 104 GLU HB2 1 106 PHE H . . 5.030 4.809 4.481 5.174 0.144 12 0 "[ . 1 . 2]" 1
1589 1 104 GLU HB3 1 105 LYS H . . 4.040 3.733 3.335 4.148 0.108 12 0 "[ . 1 . 2]" 1
1590 1 104 GLU QG 1 105 LYS H . . 4.640 3.823 3.717 4.031 . 0 0 "[ . 1 . 2]" 1
1591 1 104 GLU QG 1 105 LYS HD3 . . 5.000 4.427 4.120 4.790 . 0 0 "[ . 1 . 2]" 1
1592 1 105 LYS H 1 105 LYS HB2 . . 3.450 2.222 2.106 2.370 . 0 0 "[ . 1 . 2]" 1
1593 1 105 LYS H 1 105 LYS HB3 . . 3.600 3.505 3.395 3.571 . 0 0 "[ . 1 . 2]" 1
1594 1 105 LYS H 1 105 LYS QE . . 4.750 3.407 3.159 3.753 . 0 0 "[ . 1 . 2]" 1
1595 1 105 LYS H 1 105 LYS HG2 . . 4.310 4.180 3.888 4.392 0.082 12 0 "[ . 1 . 2]" 1
1596 1 105 LYS H 1 105 LYS HG3 . . 3.620 3.554 3.259 3.949 0.329 12 0 "[ . 1 . 2]" 1
1597 1 105 LYS H 1 106 PHE H . . 3.320 2.651 2.469 2.770 . 0 0 "[ . 1 . 2]" 1
1598 1 105 LYS H 1 106 PHE HA . . 5.310 5.267 5.126 5.372 0.062 14 0 "[ . 1 . 2]" 1
1599 1 105 LYS H 1 106 PHE HB2 . . 5.050 4.746 4.410 5.890 0.840 12 1 "[ . 1 + . 2]" 1
1600 1 105 LYS H 1 107 GLY H . . 4.380 4.024 3.739 4.203 . 0 0 "[ . 1 . 2]" 1
1601 1 105 LYS HA 1 105 LYS HG3 . . 3.570 2.178 2.091 2.366 . 0 0 "[ . 1 . 2]" 1
1602 1 105 LYS HA 1 106 PHE H . . 3.560 3.475 3.410 3.524 . 0 0 "[ . 1 . 2]" 1
1603 1 105 LYS HA 1 106 PHE HA . . 5.350 4.658 4.526 4.708 . 0 0 "[ . 1 . 2]" 1
1604 1 105 LYS HB2 1 106 PHE H . . 3.940 3.064 2.863 3.222 . 0 0 "[ . 1 . 2]" 1
1605 1 105 LYS HB2 1 106 PHE HA . . 5.220 4.818 4.626 5.211 . 0 0 "[ . 1 . 2]" 1
1606 1 105 LYS HB2 1 106 PHE HB2 . . 5.500 4.637 4.184 5.991 0.491 12 0 "[ . 1 . 2]" 1
1607 1 105 LYS HB2 1 107 GLY H . . 5.500 5.111 4.790 5.247 . 0 0 "[ . 1 . 2]" 1
1608 1 105 LYS HB3 1 106 PHE H . . 3.860 3.572 3.275 3.918 0.058 4 0 "[ . 1 . 2]" 1
1609 1 105 LYS HB3 1 106 PHE HB2 . . 5.500 4.978 4.094 5.577 0.077 12 0 "[ . 1 . 2]" 1
1610 1 105 LYS QE 1 105 LYS HG2 . . 3.680 2.526 2.348 2.717 . 0 0 "[ . 1 . 2]" 1
1611 1 105 LYS QE 1 105 LYS HG3 . . 3.830 3.419 3.336 3.497 . 0 0 "[ . 1 . 2]" 1
1612 1 105 LYS HG3 1 106 PHE H . . 5.070 5.007 4.949 5.091 0.021 4 0 "[ . 1 . 2]" 1
1613 1 106 PHE H 1 106 PHE HB2 . . 3.480 2.366 2.122 3.470 . 0 0 "[ . 1 . 2]" 1
1614 1 106 PHE H 1 106 PHE HB3 . . 3.570 3.178 2.479 3.580 0.010 12 0 "[ . 1 . 2]" 1
1615 1 106 PHE H 1 107 GLY H . . 3.150 2.291 1.892 2.431 . 0 0 "[ . 1 . 2]" 1
1616 1 106 PHE H 1 107 GLY HA2 . . 4.730 4.597 4.106 4.811 0.081 8 0 "[ . 1 . 2]" 1
1617 1 106 PHE H 1 108 SER H . . 5.500 3.897 3.431 4.189 . 0 0 "[ . 1 . 2]" 1
1618 1 106 PHE HA 1 107 GLY HA3 . . 4.500 4.535 4.516 4.575 0.075 20 0 "[ . 1 . 2]" 1
1619 1 106 PHE HB2 1 107 GLY H . . 4.170 3.430 2.895 4.173 0.003 4 0 "[ . 1 . 2]" 1
1620 1 106 PHE HB3 1 107 GLY H . . 4.380 3.326 2.776 4.224 . 0 0 "[ . 1 . 2]" 1
1621 1 107 GLY H 1 108 SER H . . 4.800 2.367 1.934 2.655 . 0 0 "[ . 1 . 2]" 1
1622 1 107 GLY H 1 108 SER HA . . 5.500 4.946 4.425 5.262 . 0 0 "[ . 1 . 2]" 1
1623 1 108 SER HA 1 108 SER HB3 . . 2.920 2.683 2.243 3.003 0.083 8 0 "[ . 1 . 2]" 1
1624 1 108 SER HA 1 109 ALA H . . 3.050 2.271 2.147 2.320 . 0 0 "[ . 1 . 2]" 1
1625 1 108 SER HA 1 109 ALA MB . . 5.330 4.010 3.746 4.237 . 0 0 "[ . 1 . 2]" 1
1626 1 108 SER HB3 1 109 ALA H . . 3.720 3.407 2.659 4.247 0.527 4 1 "[ +. 1 . 2]" 1
1627 1 109 ALA H 1 109 ALA MB . . 3.260 2.511 2.037 2.892 . 0 0 "[ . 1 . 2]" 1
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