NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628279 |
5xr1   |
36097 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xr1
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 1219
_Distance_constraint_stats_list.Viol_count 2505
_Distance_constraint_stats_list.Viol_total 7355.779
_Distance_constraint_stats_list.Viol_max 0.969
_Distance_constraint_stats_list.Viol_rms 0.0666
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0151
_Distance_constraint_stats_list.Viol_average_violations_only 0.1468
_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 21 LEU 2.193 0.311 4 0 "[ . 1 . 2]"
1 23 LYS 6.839 0.356 20 0 "[ . 1 . 2]"
1 24 SER 4.832 0.311 8 0 "[ . 1 . 2]"
1 25 ALA 1.304 0.218 14 0 "[ . 1 . 2]"
1 26 THR 18.542 0.581 1 2 "[+ . 1 - . 2]"
1 27 THR 6.568 0.581 1 2 "[+ . 1 - . 2]"
1 28 THR 1.870 0.219 12 0 "[ . 1 . 2]"
1 29 VAL 0.727 0.338 13 0 "[ . 1 . 2]"
1 30 MET 3.336 0.409 19 0 "[ . 1 . 2]"
1 42 GLY 2.350 0.197 6 0 "[ . 1 . 2]"
1 43 GLY 2.628 0.208 3 0 "[ . 1 . 2]"
1 44 ALA 4.966 0.208 3 0 "[ . 1 . 2]"
1 45 HIS 5.424 0.192 17 0 "[ . 1 . 2]"
1 46 LYS 7.517 0.722 5 1 "[ + 1 . 2]"
1 47 VAL 1.835 0.270 19 0 "[ . 1 . 2]"
1 48 ARG 1.873 0.272 18 0 "[ . 1 . 2]"
1 49 ALA 0.314 0.091 9 0 "[ . 1 . 2]"
1 50 GLY 0.309 0.199 10 0 "[ . 1 . 2]"
1 51 GLY 0.050 0.026 10 0 "[ . 1 . 2]"
1 52 PRO 0.072 0.042 6 0 "[ . 1 . 2]"
1 53 GLY 0.064 0.040 10 0 "[ . 1 . 2]"
1 54 LEU 5.674 0.340 5 0 "[ . 1 . 2]"
1 55 GLU 0.699 0.122 16 0 "[ . 1 . 2]"
1 56 ARG 4.748 0.274 8 0 "[ . 1 . 2]"
1 57 ALA 2.056 0.274 8 0 "[ . 1 . 2]"
1 58 GLU 4.928 0.275 19 0 "[ . 1 . 2]"
1 59 ALA 2.918 0.189 15 0 "[ . 1 . 2]"
1 60 GLY 4.663 0.417 14 0 "[ . 1 . 2]"
1 61 VAL 13.672 0.578 19 4 "[ . *- *. +2]"
1 62 PRO 0.711 0.068 1 0 "[ . 1 . 2]"
1 63 ALA 0.758 0.133 12 0 "[ . 1 . 2]"
1 64 GLU 1.278 0.209 7 0 "[ . 1 . 2]"
1 65 PHE 0.802 0.271 13 0 "[ . 1 . 2]"
1 66 SER 0.451 0.270 9 0 "[ . 1 . 2]"
1 67 ILE 0.733 0.270 9 0 "[ . 1 . 2]"
1 69 THR 0.997 0.174 6 0 "[ . 1 . 2]"
1 71 GLU 0.075 0.055 3 0 "[ . 1 . 2]"
1 72 ALA 1.822 0.185 19 0 "[ . 1 . 2]"
1 73 GLY 0.063 0.026 2 0 "[ . 1 . 2]"
1 74 ALA 2.829 0.276 11 0 "[ . 1 . 2]"
1 75 GLY 6.382 0.409 19 0 "[ . 1 . 2]"
1 76 GLY 0.430 0.352 2 0 "[ . 1 . 2]"
1 77 LEU 1.944 0.338 13 0 "[ . 1 . 2]"
1 78 ALA 1.998 0.219 12 0 "[ . 1 . 2]"
1 79 ILE 12.830 0.368 4 0 "[ . 1 . 2]"
1 80 ALA 10.512 0.349 4 0 "[ . 1 . 2]"
1 81 VAL 10.449 0.380 13 0 "[ . 1 . 2]"
1 82 GLU 2.977 0.185 13 0 "[ . 1 . 2]"
1 83 GLY 15.714 0.356 20 0 "[ . 1 . 2]"
1 84 PRO 2.638 0.171 6 0 "[ . 1 . 2]"
1 85 SER 8.150 0.351 15 0 "[ . 1 . 2]"
1 86 LYS 0.296 0.144 4 0 "[ . 1 . 2]"
1 87 ALA 1.148 0.258 8 0 "[ . 1 . 2]"
1 88 GLU 21.525 0.439 16 0 "[ . 1 . 2]"
1 89 ILE 6.556 0.172 17 0 "[ . 1 . 2]"
1 90 SER 0.810 0.269 8 0 "[ . 1 . 2]"
1 91 PHE 0.812 0.123 19 0 "[ . 1 . 2]"
1 92 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASP 0.531 0.199 5 0 "[ . 1 . 2]"
1 94 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LYS 0.934 0.138 5 0 "[ . 1 . 2]"
1 96 ASP 0.048 0.048 9 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.207 0.076 18 0 "[ . 1 . 2]"
1 102 ALA 0.114 0.062 8 0 "[ . 1 . 2]"
1 103 TYR 22.163 0.766 17 20 [************-***+***]
1 104 VAL 68.034 0.766 17 20 [**********-*****+***]
1 105 VAL 6.843 0.329 10 0 "[ . 1 . 2]"
1 106 GLN 14.702 0.761 19 16 "[* **-******* * **+*]"
1 107 GLU 6.716 0.322 2 0 "[ . 1 . 2]"
1 108 PRO 4.693 0.209 19 0 "[ . 1 . 2]"
1 109 GLY 0.354 0.115 19 0 "[ . 1 . 2]"
1 110 ASP 10.589 0.387 20 0 "[ . 1 . 2]"
1 111 TYR 11.441 0.454 19 0 "[ . 1 . 2]"
1 112 GLU 2.597 0.188 19 0 "[ . 1 . 2]"
1 113 VAL 1.394 0.139 13 0 "[ . 1 . 2]"
1 114 SER 8.286 0.279 17 0 "[ . 1 . 2]"
1 115 VAL 54.223 0.969 16 20 [*-*************+****]
1 116 LYS 12.231 0.454 17 0 "[ . 1 . 2]"
1 117 PHE 7.705 0.378 16 0 "[ . 1 . 2]"
1 118 ASN 1.764 0.352 2 0 "[ . 1 . 2]"
1 119 GLU 0.219 0.094 16 0 "[ . 1 . 2]"
1 120 GLU 6.840 0.544 17 1 "[ . 1 . + 2]"
1 121 HIS 10.730 0.544 17 1 "[ . 1 . + 2]"
1 122 ILE 56.221 0.969 16 20 [***************+***-]
1 123 PRO 16.462 0.724 10 12 "[*** .** + *- .* ***]"
1 124 ASP 14.315 0.611 19 8 "[*** .* 1 - .* +*]"
1 125 SER 43.198 0.839 13 12 "[*** .** * *+*. ** -]"
1 126 PRO 27.988 0.433 1 0 "[ . 1 . 2]"
1 127 PHE 29.991 0.479 13 0 "[ . 1 . 2]"
1 128 VAL 24.097 0.454 19 0 "[ . 1 . 2]"
1 129 VAL 0.226 0.054 19 0 "[ . 1 . 2]"
1 130 PRO 3.505 0.239 16 0 "[ . 1 . 2]"
1 131 VAL 0.449 0.110 19 0 "[ . 1 . 2]"
1 132 ALA 1.442 0.146 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 LEU HA 1 83 GLY H . . 3.000 3.051 2.304 3.311 0.311 4 0 "[ . 1 . 2]" 1
2 1 23 LYS H 1 83 GLY H . . 3.000 3.180 3.052 3.356 0.356 20 0 "[ . 1 . 2]" 1
3 1 23 LYS HB2 1 83 GLY H . . 3.000 2.934 1.857 3.334 0.334 8 0 "[ . 1 . 2]" 1
4 1 23 LYS HG2 1 83 GLY H . . 3.000 2.726 1.800 3.285 0.285 10 0 "[ . 1 . 2]" 1
5 1 24 SER H 1 81 VAL HB . . 3.000 3.176 3.002 3.311 0.311 8 0 "[ . 1 . 2]" 1
6 1 24 SER HB2 1 25 ALA H . . 3.500 3.457 2.635 3.718 0.218 14 0 "[ . 1 . 2]" 1
7 1 25 ALA HA 1 81 VAL H . . 3.000 2.749 2.606 2.913 . 0 0 "[ . 1 . 2]" 1
8 1 25 ALA MB 1 26 THR H . . 3.500 2.531 2.348 2.681 . 0 0 "[ . 1 . 2]" 1
9 1 25 ALA MB 1 80 ALA MB . . 3.000 2.335 2.134 2.508 . 0 0 "[ . 1 . 2]" 1
10 1 26 THR H 1 26 THR MG . . 3.500 2.484 2.213 3.320 . 0 0 "[ . 1 . 2]" 1
11 1 26 THR H 1 27 THR H . . 3.500 3.828 3.698 4.081 0.581 1 2 "[+ . 1 - . 2]" 1
12 1 26 THR H 1 79 ILE H . . 3.000 3.032 2.920 3.133 0.133 20 0 "[ . 1 . 2]" 1
13 1 26 THR H 1 79 ILE HB . . 3.000 3.284 3.201 3.356 0.356 1 0 "[ . 1 . 2]" 1
14 1 26 THR H 1 80 ALA HA . . 3.000 3.273 3.210 3.349 0.349 4 0 "[ . 1 . 2]" 1
15 1 27 THR H 1 27 THR MG . . 3.500 2.136 1.865 2.832 . 0 0 "[ . 1 . 2]" 1
16 1 27 THR HA 1 78 ALA HA . . 3.000 1.881 1.761 2.014 . 0 0 "[ . 1 . 2]" 1
17 1 28 THR H 1 78 ALA HA . . 3.000 3.091 2.954 3.219 0.219 12 0 "[ . 1 . 2]" 1
18 1 29 VAL HA 1 77 LEU H . . 3.000 2.696 2.344 3.338 0.338 13 0 "[ . 1 . 2]" 1
19 1 30 MET H 1 75 GLY H . . 3.000 3.166 2.993 3.409 0.409 19 0 "[ . 1 . 2]" 1
20 1 42 GLY QA 1 43 GLY H . . 2.920 2.859 2.746 2.913 . 0 0 "[ . 1 . 2]" 1
21 1 42 GLY QA 1 46 LYS H . . 4.820 4.937 4.878 5.017 0.197 6 0 "[ . 1 . 2]" 1
22 1 42 GLY QA 1 46 LYS QB . . 4.750 3.402 2.720 4.456 . 0 0 "[ . 1 . 2]" 1
23 1 42 GLY QA 1 46 LYS QD . . 4.180 3.368 2.408 4.154 . 0 0 "[ . 1 . 2]" 1
24 1 42 GLY QA 1 46 LYS QG . . 3.740 2.315 1.929 3.034 . 0 0 "[ . 1 . 2]" 1
25 1 43 GLY H 1 44 ALA H . . 4.150 4.257 4.053 4.358 0.208 3 0 "[ . 1 . 2]" 1
26 1 43 GLY H 1 46 LYS QB . . 4.790 3.508 2.690 4.226 . 0 0 "[ . 1 . 2]" 1
27 1 43 GLY H 1 72 ALA HA . . 4.520 3.547 2.495 4.645 0.125 12 0 "[ . 1 . 2]" 1
28 1 43 GLY H 1 72 ALA MB . . 4.300 3.503 2.345 4.485 0.185 19 0 "[ . 1 . 2]" 1
29 1 43 GLY QA 1 44 ALA H . . 2.970 2.222 2.167 2.271 . 0 0 "[ . 1 . 2]" 1
30 1 43 GLY QA 1 45 HIS HE1 . . 4.260 3.413 2.886 4.001 . 0 0 "[ . 1 . 2]" 1
31 1 43 GLY QA 1 117 PHE QE . . 4.260 3.274 2.513 3.879 . 0 0 "[ . 1 . 2]" 1
32 1 44 ALA H 1 44 ALA MB . . 3.000 2.206 2.187 2.228 . 0 0 "[ . 1 . 2]" 1
33 1 44 ALA H 1 45 HIS H . . 3.630 2.695 2.599 2.811 . 0 0 "[ . 1 . 2]" 1
34 1 44 ALA H 1 120 GLU HB3 . . 4.380 4.475 4.199 4.565 0.185 3 0 "[ . 1 . 2]" 1
35 1 44 ALA HA 1 47 VAL H . . 4.520 3.401 3.225 3.765 . 0 0 "[ . 1 . 2]" 1
36 1 44 ALA HA 1 47 VAL HB . . 4.630 2.923 2.519 3.505 . 0 0 "[ . 1 . 2]" 1
37 1 44 ALA HA 1 47 VAL MG2 . . 3.580 2.619 2.296 3.106 . 0 0 "[ . 1 . 2]" 1
38 1 44 ALA HA 1 117 PHE HB2 . . 4.040 3.995 3.641 4.167 0.127 14 0 "[ . 1 . 2]" 1
39 1 44 ALA HA 1 117 PHE QB . . 3.440 2.675 2.217 2.880 . 0 0 "[ . 1 . 2]" 1
40 1 44 ALA HA 1 117 PHE HB3 . . 4.040 2.718 2.236 2.936 . 0 0 "[ . 1 . 2]" 1
41 1 44 ALA HA 1 117 PHE QD . . 3.940 2.161 1.881 2.749 . 0 0 "[ . 1 . 2]" 1
42 1 44 ALA HA 1 122 ILE MG . . 3.630 2.716 2.342 3.000 . 0 0 "[ . 1 . 2]" 1
43 1 44 ALA MB 1 45 HIS H . . 3.440 2.778 2.590 2.906 . 0 0 "[ . 1 . 2]" 1
44 1 44 ALA MB 1 45 HIS HA . . 4.860 3.848 3.782 3.916 . 0 0 "[ . 1 . 2]" 1
45 1 44 ALA MB 1 47 VAL MG2 . . 4.400 3.860 3.577 4.334 . 0 0 "[ . 1 . 2]" 1
46 1 44 ALA MB 1 117 PHE H . . 3.870 3.327 3.036 3.770 . 0 0 "[ . 1 . 2]" 1
47 1 44 ALA MB 1 117 PHE HB2 . . 4.130 3.827 3.437 4.205 0.075 17 0 "[ . 1 . 2]" 1
48 1 44 ALA MB 1 117 PHE QB . . 3.340 2.397 2.027 2.811 . 0 0 "[ . 1 . 2]" 1
49 1 44 ALA MB 1 117 PHE HB3 . . 4.130 2.423 2.042 2.857 . 0 0 "[ . 1 . 2]" 1
50 1 44 ALA MB 1 117 PHE QD . . 3.800 2.472 2.143 3.201 . 0 0 "[ . 1 . 2]" 1
51 1 44 ALA MB 1 120 GLU H . . 4.640 3.745 3.304 4.147 . 0 0 "[ . 1 . 2]" 1
52 1 44 ALA MB 1 120 GLU HB2 . . 3.460 1.922 1.732 2.199 . 0 0 "[ . 1 . 2]" 1
53 1 44 ALA MB 1 120 GLU HB3 . . 3.530 2.314 2.196 2.512 . 0 0 "[ . 1 . 2]" 1
54 1 44 ALA MB 1 120 GLU HG2 . . 4.510 3.926 3.686 4.263 . 0 0 "[ . 1 . 2]" 1
55 1 44 ALA MB 1 120 GLU HG3 . . 4.490 3.608 3.292 4.210 . 0 0 "[ . 1 . 2]" 1
56 1 44 ALA MB 1 122 ILE HA . . 3.470 2.412 2.007 2.967 . 0 0 "[ . 1 . 2]" 1
57 1 44 ALA MB 1 122 ILE MG . . 3.290 1.872 1.728 2.290 . 0 0 "[ . 1 . 2]" 1
58 1 45 HIS H 1 45 HIS HB2 . . 3.670 3.639 3.610 3.661 . 0 0 "[ . 1 . 2]" 1
59 1 45 HIS H 1 45 HIS QB . . 3.100 2.528 2.370 2.712 . 0 0 "[ . 1 . 2]" 1
60 1 45 HIS H 1 45 HIS HB3 . . 3.670 2.579 2.402 2.795 . 0 0 "[ . 1 . 2]" 1
61 1 45 HIS H 1 45 HIS HD2 . . 5.140 4.643 4.150 4.998 . 0 0 "[ . 1 . 2]" 1
62 1 45 HIS H 1 46 LYS H . . 3.340 2.649 2.564 2.738 . 0 0 "[ . 1 . 2]" 1
63 1 45 HIS HA 1 122 ILE HB . . 4.730 4.110 3.458 4.459 . 0 0 "[ . 1 . 2]" 1
64 1 45 HIS HA 1 122 ILE MG . . 3.870 3.889 3.680 4.045 0.175 13 0 "[ . 1 . 2]" 1
65 1 45 HIS HA 1 123 PRO HB2 . . 5.190 5.067 4.728 5.228 0.038 11 0 "[ . 1 . 2]" 1
66 1 45 HIS HA 1 123 PRO HB3 . . 4.540 4.281 3.892 4.732 0.192 17 0 "[ . 1 . 2]" 1
67 1 45 HIS HA 1 123 PRO HD2 . . 3.750 2.790 2.337 3.370 . 0 0 "[ . 1 . 2]" 1
68 1 45 HIS HA 1 123 PRO HD3 . . 3.840 2.152 1.736 3.183 . 0 0 "[ . 1 . 2]" 1
69 1 45 HIS HA 1 123 PRO HG2 . . 3.830 3.651 2.691 3.997 0.167 6 0 "[ . 1 . 2]" 1
70 1 45 HIS HA 1 123 PRO HG3 . . 4.040 2.574 2.281 2.880 . 0 0 "[ . 1 . 2]" 1
71 1 45 HIS QB 1 123 PRO HD2 . . 4.540 4.359 3.962 4.620 0.080 15 0 "[ . 1 . 2]" 1
72 1 45 HIS QB 1 123 PRO HG3 . . 4.840 3.090 2.528 3.451 . 0 0 "[ . 1 . 2]" 1
73 1 45 HIS HB2 1 46 LYS H . . 4.650 4.204 4.091 4.296 . 0 0 "[ . 1 . 2]" 1
74 1 45 HIS HB2 1 123 PRO HB3 . . 5.500 4.619 3.941 5.496 . 0 0 "[ . 1 . 2]" 1
75 1 45 HIS HB2 1 123 PRO HD2 . . 5.150 4.895 4.436 5.224 0.074 5 0 "[ . 1 . 2]" 1
76 1 45 HIS HB2 1 123 PRO HG2 . . 5.500 4.837 3.632 5.417 . 0 0 "[ . 1 . 2]" 1
77 1 45 HIS HB3 1 46 LYS H . . 4.650 4.237 4.053 4.456 . 0 0 "[ . 1 . 2]" 1
78 1 45 HIS HB3 1 123 PRO HB3 . . 5.500 4.740 3.609 5.389 . 0 0 "[ . 1 . 2]" 1
79 1 45 HIS HB3 1 123 PRO HD2 . . 5.150 4.898 4.458 5.297 0.147 8 0 "[ . 1 . 2]" 1
80 1 45 HIS HB3 1 123 PRO HG2 . . 5.500 5.437 4.439 5.665 0.165 19 0 "[ . 1 . 2]" 1
81 1 45 HIS HD2 1 46 LYS HE2 . . 4.890 3.540 2.471 4.375 . 0 0 "[ . 1 . 2]" 1
82 1 45 HIS HD2 1 46 LYS HE3 . . 4.920 2.527 1.954 4.409 . 0 0 "[ . 1 . 2]" 1
83 1 45 HIS HD2 1 46 LYS HG2 . . 4.830 2.944 2.302 4.906 0.076 5 0 "[ . 1 . 2]" 1
84 1 45 HIS HD2 1 46 LYS QG . . 4.240 2.870 2.288 3.959 . 0 0 "[ . 1 . 2]" 1
85 1 45 HIS HD2 1 46 LYS HG3 . . 4.830 4.508 4.011 4.894 0.064 8 0 "[ . 1 . 2]" 1
86 1 45 HIS HE1 1 46 LYS HE3 . . 5.320 5.332 4.377 5.459 0.139 6 0 "[ . 1 . 2]" 1
87 1 46 LYS H 1 46 LYS HB2 . . 3.660 2.396 2.210 2.485 . 0 0 "[ . 1 . 2]" 1
88 1 46 LYS H 1 46 LYS QB . . 3.170 2.363 2.187 2.443 . 0 0 "[ . 1 . 2]" 1
89 1 46 LYS H 1 46 LYS HB3 . . 3.660 3.599 3.477 3.648 . 0 0 "[ . 1 . 2]" 1
90 1 46 LYS H 1 46 LYS QD . . 5.020 4.321 2.316 4.657 . 0 0 "[ . 1 . 2]" 1
91 1 46 LYS H 1 46 LYS HG2 . . 3.770 2.725 2.404 4.005 0.235 5 0 "[ . 1 . 2]" 1
92 1 46 LYS H 1 46 LYS HG3 . . 3.770 3.612 3.297 3.953 0.183 5 0 "[ . 1 . 2]" 1
93 1 46 LYS H 1 47 VAL HB . . 5.120 4.490 4.336 4.683 . 0 0 "[ . 1 . 2]" 1
94 1 46 LYS H 1 47 VAL MG2 . . 4.170 3.312 2.958 3.586 . 0 0 "[ . 1 . 2]" 1
95 1 46 LYS HA 1 46 LYS HD2 . . 4.090 3.909 2.528 4.170 0.080 6 0 "[ . 1 . 2]" 1
96 1 46 LYS HA 1 46 LYS QD . . 3.470 3.117 1.970 3.471 0.001 11 0 "[ . 1 . 2]" 1
97 1 46 LYS HA 1 46 LYS HD3 . . 4.090 3.346 1.989 3.757 . 0 0 "[ . 1 . 2]" 1
98 1 46 LYS HA 1 46 LYS HE2 . . 4.610 2.182 1.772 4.058 . 0 0 "[ . 1 . 2]" 1
99 1 46 LYS HA 1 46 LYS HE3 . . 4.650 3.068 2.515 4.737 0.087 13 0 "[ . 1 . 2]" 1
100 1 46 LYS HA 1 46 LYS HG2 . . 3.890 2.815 2.553 3.630 . 0 0 "[ . 1 . 2]" 1
101 1 46 LYS HA 1 46 LYS QG . . 3.370 2.691 2.376 2.784 . 0 0 "[ . 1 . 2]" 1
102 1 46 LYS HA 1 46 LYS HG3 . . 3.890 3.726 2.409 3.838 . 0 0 "[ . 1 . 2]" 1
103 1 46 LYS QB 1 46 LYS HE2 . . 3.920 2.927 2.448 4.089 0.169 13 0 "[ . 1 . 2]" 1
104 1 46 LYS QB 1 47 VAL H . . 4.180 3.227 2.905 3.461 . 0 0 "[ . 1 . 2]" 1
105 1 46 LYS QB 1 47 VAL HA . . 4.880 4.075 3.863 4.232 . 0 0 "[ . 1 . 2]" 1
106 1 46 LYS QB 1 47 VAL MG2 . . 4.780 2.912 2.750 3.123 . 0 0 "[ . 1 . 2]" 1
107 1 46 LYS QB 1 72 ALA HA . . 3.670 3.429 2.814 3.806 0.136 5 0 "[ . 1 . 2]" 1
108 1 46 LYS QB 1 72 ALA MB . . 4.290 2.931 1.982 3.824 . 0 0 "[ . 1 . 2]" 1
109 1 46 LYS HB2 1 46 LYS HE2 . . 4.570 4.016 3.768 4.684 0.114 13 0 "[ . 1 . 2]" 1
110 1 46 LYS HB2 1 46 LYS HE3 . . 4.590 4.509 4.354 4.649 0.059 5 0 "[ . 1 . 2]" 1
111 1 46 LYS HB2 1 47 VAL H . . 4.890 3.371 3.014 3.646 . 0 0 "[ . 1 . 2]" 1
112 1 46 LYS HB2 1 72 ALA HA . . 4.370 3.664 2.893 4.266 . 0 0 "[ . 1 . 2]" 1
113 1 46 LYS HB3 1 46 LYS HE2 . . 4.570 3.049 2.480 4.551 . 0 0 "[ . 1 . 2]" 1
114 1 46 LYS HB3 1 46 LYS HE3 . . 4.590 3.984 3.720 5.312 0.722 5 1 "[ + 1 . 2]" 1
115 1 46 LYS HB3 1 47 VAL H . . 4.890 4.128 3.759 4.313 . 0 0 "[ . 1 . 2]" 1
116 1 46 LYS HB3 1 72 ALA HA . . 4.370 4.197 3.675 4.533 0.163 20 0 "[ . 1 . 2]" 1
117 1 46 LYS QD 1 71 GLU QB . . 4.280 2.833 1.960 4.301 0.021 15 0 "[ . 1 . 2]" 1
118 1 46 LYS HE2 1 46 LYS HG2 . . 4.050 2.910 2.406 3.093 . 0 0 "[ . 1 . 2]" 1
119 1 46 LYS HE2 1 46 LYS HG3 . . 4.050 3.631 2.321 3.840 . 0 0 "[ . 1 . 2]" 1
120 1 46 LYS HE3 1 46 LYS HG2 . . 4.050 2.553 2.327 3.635 . 0 0 "[ . 1 . 2]" 1
121 1 46 LYS HE3 1 46 LYS HG3 . . 4.050 3.523 2.435 3.711 . 0 0 "[ . 1 . 2]" 1
122 1 46 LYS QG 1 72 ALA HA . . 4.410 3.930 2.974 4.512 0.102 10 0 "[ . 1 . 2]" 1
123 1 47 VAL H 1 47 VAL HB . . 3.520 2.589 2.495 2.687 . 0 0 "[ . 1 . 2]" 1
124 1 47 VAL H 1 47 VAL MG1 . . 4.260 3.824 3.782 3.860 . 0 0 "[ . 1 . 2]" 1
125 1 47 VAL H 1 47 VAL MG2 . . 3.660 2.441 2.255 2.591 . 0 0 "[ . 1 . 2]" 1
126 1 47 VAL H 1 122 ILE MG . . 4.130 3.436 3.255 3.626 . 0 0 "[ . 1 . 2]" 1
127 1 47 VAL HA 1 47 VAL MG1 . . 3.620 2.371 2.311 2.422 . 0 0 "[ . 1 . 2]" 1
128 1 47 VAL HA 1 47 VAL MG2 . . 3.710 2.425 2.360 2.507 . 0 0 "[ . 1 . 2]" 1
129 1 47 VAL HA 1 72 ALA MB . . 4.780 4.296 3.557 4.796 0.016 20 0 "[ . 1 . 2]" 1
130 1 47 VAL HB 1 122 ILE HB . . 4.650 4.069 3.274 4.570 . 0 0 "[ . 1 . 2]" 1
131 1 47 VAL HB 1 122 ILE MD . . 4.050 3.738 3.148 4.320 0.270 19 0 "[ . 1 . 2]" 1
132 1 47 VAL HB 1 122 ILE MG . . 3.230 2.225 1.971 2.455 . 0 0 "[ . 1 . 2]" 1
133 1 47 VAL MG1 1 48 ARG H . . 4.020 2.697 2.295 3.217 . 0 0 "[ . 1 . 2]" 1
134 1 47 VAL MG1 1 69 THR HA . . 4.240 2.858 2.074 4.136 . 0 0 "[ . 1 . 2]" 1
135 1 47 VAL MG1 1 69 THR MG . . 3.350 2.584 1.871 3.502 0.152 17 0 "[ . 1 . 2]" 1
136 1 47 VAL MG1 1 122 ILE MG . . 3.030 2.716 2.235 3.061 0.031 12 0 "[ . 1 . 2]" 1
137 1 47 VAL MG2 1 48 ARG H . . 4.950 4.066 3.917 4.230 . 0 0 "[ . 1 . 2]" 1
138 1 47 VAL MG2 1 69 THR HA . . 4.150 2.949 2.087 4.139 . 0 0 "[ . 1 . 2]" 1
139 1 47 VAL MG2 1 69 THR MG . . 3.880 2.709 1.981 3.935 0.055 17 0 "[ . 1 . 2]" 1
140 1 47 VAL MG2 1 72 ALA MB . . 3.380 2.195 1.843 2.929 . 0 0 "[ . 1 . 2]" 1
141 1 47 VAL MG2 1 117 PHE HB2 . . 4.260 3.294 2.803 3.617 . 0 0 "[ . 1 . 2]" 1
142 1 47 VAL MG2 1 117 PHE QB . . 3.710 2.985 2.520 3.289 . 0 0 "[ . 1 . 2]" 1
143 1 47 VAL MG2 1 117 PHE HB3 . . 4.260 3.428 2.856 3.778 . 0 0 "[ . 1 . 2]" 1
144 1 47 VAL MG2 1 117 PHE QD . . 4.180 2.832 2.582 3.054 . 0 0 "[ . 1 . 2]" 1
145 1 47 VAL MG2 1 122 ILE MG . . 3.450 3.395 2.892 3.592 0.142 20 0 "[ . 1 . 2]" 1
146 1 48 ARG HA 1 48 ARG HD2 . . 4.800 4.236 2.014 5.072 0.272 18 0 "[ . 1 . 2]" 1
147 1 48 ARG HA 1 48 ARG QD . . 4.070 3.707 2.003 4.186 0.116 8 0 "[ . 1 . 2]" 1
148 1 48 ARG HA 1 48 ARG HD3 . . 4.800 4.292 2.702 4.770 . 0 0 "[ . 1 . 2]" 1
149 1 48 ARG HA 1 49 ALA MB . . 4.710 3.865 3.788 3.903 . 0 0 "[ . 1 . 2]" 1
150 1 48 ARG HA 1 122 ILE QG . . 4.470 4.450 3.996 4.679 0.209 7 0 "[ . 1 . 2]" 1
151 1 48 ARG QB 1 49 ALA H . . 4.580 2.859 2.029 3.635 . 0 0 "[ . 1 . 2]" 1
152 1 49 ALA H 1 122 ILE MD . . 4.610 3.048 2.605 3.615 . 0 0 "[ . 1 . 2]" 1
153 1 49 ALA H 1 127 PHE QE . . 4.780 3.677 2.789 4.252 . 0 0 "[ . 1 . 2]" 1
154 1 49 ALA HA 1 67 ILE HA . . 4.020 2.599 1.940 3.708 . 0 0 "[ . 1 . 2]" 1
155 1 49 ALA HA 1 67 ILE MG . . 4.720 3.125 2.166 3.889 . 0 0 "[ . 1 . 2]" 1
156 1 49 ALA MB 1 50 GLY H . . 3.870 2.809 2.405 3.263 . 0 0 "[ . 1 . 2]" 1
157 1 49 ALA MB 1 54 LEU MD1 . . 3.130 1.984 1.792 2.170 . 0 0 "[ . 1 . 2]" 1
158 1 49 ALA MB 1 54 LEU MD2 . . 4.320 3.591 3.304 3.826 . 0 0 "[ . 1 . 2]" 1
159 1 49 ALA MB 1 65 PHE QD . . 4.270 2.910 2.048 4.274 0.004 13 0 "[ . 1 . 2]" 1
160 1 49 ALA MB 1 65 PHE QE . . 4.650 3.493 2.685 4.369 . 0 0 "[ . 1 . 2]" 1
161 1 49 ALA MB 1 67 ILE HA . . 4.180 3.046 1.985 4.271 0.091 9 0 "[ . 1 . 2]" 1
162 1 49 ALA MB 1 122 ILE MD . . 3.430 2.995 2.370 3.487 0.057 15 0 "[ . 1 . 2]" 1
163 1 49 ALA MB 1 127 PHE QD . . 4.890 3.857 3.285 4.397 . 0 0 "[ . 1 . 2]" 1
164 1 49 ALA MB 1 127 PHE QE . . 4.140 2.708 1.971 3.675 . 0 0 "[ . 1 . 2]" 1
165 1 50 GLY H 1 54 LEU MD1 . . 4.640 3.047 2.467 3.617 . 0 0 "[ . 1 . 2]" 1
166 1 50 GLY QA 1 54 LEU MD1 . . 3.680 2.538 2.150 3.879 0.199 10 0 "[ . 1 . 2]" 1
167 1 51 GLY H 1 54 LEU MD1 . . 4.530 3.930 2.073 4.556 0.026 10 0 "[ . 1 . 2]" 1
168 1 52 PRO HA 1 55 GLU QB . . 4.920 3.645 2.125 4.962 0.042 6 0 "[ . 1 . 2]" 1
169 1 52 PRO HA 1 55 GLU HG2 . . 4.770 2.989 1.897 4.800 0.030 10 0 "[ . 1 . 2]" 1
170 1 52 PRO HA 1 55 GLU QG . . 4.190 2.520 1.885 3.486 . 0 0 "[ . 1 . 2]" 1
171 1 52 PRO HA 1 55 GLU HG3 . . 4.770 3.158 2.605 3.846 . 0 0 "[ . 1 . 2]" 1
172 1 53 GLY H 1 54 LEU H . . 4.270 2.694 1.959 3.613 . 0 0 "[ . 1 . 2]" 1
173 1 53 GLY QA 1 63 ALA MB . . 3.510 1.971 1.738 2.687 . 0 0 "[ . 1 . 2]" 1
174 1 53 GLY QA 1 103 TYR QE . . 4.320 3.433 2.160 4.360 0.040 10 0 "[ . 1 . 2]" 1
175 1 54 LEU H 1 54 LEU HB2 . . 4.080 2.472 2.357 2.531 . 0 0 "[ . 1 . 2]" 1
176 1 54 LEU H 1 54 LEU QB . . 3.430 2.436 2.327 2.491 . 0 0 "[ . 1 . 2]" 1
177 1 54 LEU H 1 54 LEU HB3 . . 4.080 3.672 3.591 3.712 . 0 0 "[ . 1 . 2]" 1
178 1 54 LEU H 1 54 LEU MD1 . . 4.340 3.935 3.621 4.134 . 0 0 "[ . 1 . 2]" 1
179 1 54 LEU H 1 54 LEU MD2 . . 4.280 3.885 3.798 3.993 . 0 0 "[ . 1 . 2]" 1
180 1 54 LEU H 1 54 LEU HG . . 3.890 3.011 2.694 3.177 . 0 0 "[ . 1 . 2]" 1
181 1 54 LEU H 1 55 GLU H . . 3.390 2.173 2.007 2.643 . 0 0 "[ . 1 . 2]" 1
182 1 54 LEU H 1 55 GLU QB . . 5.340 4.350 4.000 4.872 . 0 0 "[ . 1 . 2]" 1
183 1 54 LEU H 1 55 GLU QG . . 4.370 3.335 3.000 3.969 . 0 0 "[ . 1 . 2]" 1
184 1 54 LEU H 1 56 ARG H . . 4.530 4.127 3.712 4.575 0.045 10 0 "[ . 1 . 2]" 1
185 1 54 LEU H 1 65 PHE QB . . 4.600 2.911 2.274 3.727 . 0 0 "[ . 1 . 2]" 1
186 1 54 LEU HA 1 54 LEU MD1 . . 3.950 3.848 3.790 3.907 . 0 0 "[ . 1 . 2]" 1
187 1 54 LEU HA 1 54 LEU MD2 . . 3.220 2.078 1.982 2.233 . 0 0 "[ . 1 . 2]" 1
188 1 54 LEU HA 1 103 TYR QE . . 5.500 4.156 3.906 4.494 . 0 0 "[ . 1 . 2]" 1
189 1 54 LEU HA 1 129 VAL MG1 . . 3.990 2.971 2.710 3.353 . 0 0 "[ . 1 . 2]" 1
190 1 54 LEU HA 1 129 VAL MG2 . . 3.410 1.900 1.782 2.001 . 0 0 "[ . 1 . 2]" 1
191 1 54 LEU QB 1 54 LEU MD1 . . 3.040 2.090 2.076 2.099 . 0 0 "[ . 1 . 2]" 1
192 1 54 LEU QB 1 127 PHE QB . . 4.910 2.909 2.460 3.421 . 0 0 "[ . 1 . 2]" 1
193 1 54 LEU QB 1 127 PHE QD . . 4.290 3.614 2.975 4.353 0.063 3 0 "[ . 1 . 2]" 1
194 1 54 LEU HB2 1 54 LEU MD1 . . 3.570 2.310 2.260 2.349 . 0 0 "[ . 1 . 2]" 1
195 1 54 LEU HB3 1 54 LEU MD1 . . 3.570 2.389 2.314 2.470 . 0 0 "[ . 1 . 2]" 1
196 1 54 LEU MD1 1 65 PHE QB . . 4.150 2.824 2.422 4.189 0.039 13 0 "[ . 1 . 2]" 1
197 1 54 LEU MD1 1 65 PHE QD . . 4.210 2.728 2.476 3.480 . 0 0 "[ . 1 . 2]" 1
198 1 54 LEU MD1 1 115 VAL MG1 . . 3.720 3.745 3.523 3.879 0.159 10 0 "[ . 1 . 2]" 1
199 1 54 LEU MD1 1 127 PHE QB . . 4.720 3.428 2.921 3.918 . 0 0 "[ . 1 . 2]" 1
200 1 54 LEU MD1 1 127 PHE QD . . 4.660 3.206 2.907 3.763 . 0 0 "[ . 1 . 2]" 1
201 1 54 LEU MD1 1 127 PHE QE . . 4.130 3.363 2.906 4.106 . 0 0 "[ . 1 . 2]" 1
202 1 54 LEU MD2 1 65 PHE QD . . 4.380 3.364 3.163 3.939 . 0 0 "[ . 1 . 2]" 1
203 1 54 LEU MD2 1 65 PHE QE . . 4.350 3.294 2.240 3.653 . 0 0 "[ . 1 . 2]" 1
204 1 54 LEU MD2 1 65 PHE HZ . . 4.900 3.788 3.321 4.347 . 0 0 "[ . 1 . 2]" 1
205 1 54 LEU MD2 1 103 TYR QE . . 4.920 3.415 3.046 3.976 . 0 0 "[ . 1 . 2]" 1
206 1 54 LEU MD2 1 113 VAL HB . . 4.090 2.590 2.414 2.747 . 0 0 "[ . 1 . 2]" 1
207 1 54 LEU MD2 1 113 VAL MG1 . . 3.940 2.598 2.404 2.929 . 0 0 "[ . 1 . 2]" 1
208 1 54 LEU MD2 1 113 VAL MG2 . . 3.790 2.494 2.321 2.835 . 0 0 "[ . 1 . 2]" 1
209 1 54 LEU MD2 1 115 VAL MG1 . . 3.390 3.596 3.458 3.730 0.340 5 0 "[ . 1 . 2]" 1
210 1 54 LEU MD2 1 127 PHE QB . . 3.800 2.136 1.895 2.527 . 0 0 "[ . 1 . 2]" 1
211 1 54 LEU MD2 1 127 PHE QD . . 4.050 2.930 2.440 3.329 . 0 0 "[ . 1 . 2]" 1
212 1 54 LEU MD2 1 127 PHE QE . . 4.490 4.220 3.776 4.523 0.033 3 0 "[ . 1 . 2]" 1
213 1 54 LEU MD2 1 129 VAL MG1 . . 4.610 4.027 3.845 4.367 . 0 0 "[ . 1 . 2]" 1
214 1 54 LEU MD2 1 129 VAL MG2 . . 3.830 2.398 2.216 2.696 . 0 0 "[ . 1 . 2]" 1
215 1 54 LEU HG 1 65 PHE QB . . 4.380 2.333 1.860 3.846 . 0 0 "[ . 1 . 2]" 1
216 1 54 LEU HG 1 65 PHE QD . . 4.940 3.046 2.392 3.499 . 0 0 "[ . 1 . 2]" 1
217 1 55 GLU H 1 55 GLU QB . . 3.670 2.719 2.386 3.086 . 0 0 "[ . 1 . 2]" 1
218 1 55 GLU H 1 55 GLU HG2 . . 4.280 2.630 1.917 3.682 . 0 0 "[ . 1 . 2]" 1
219 1 55 GLU H 1 55 GLU HG3 . . 4.280 2.970 2.136 4.031 . 0 0 "[ . 1 . 2]" 1
220 1 55 GLU H 1 56 ARG H . . 3.380 2.340 2.092 2.706 . 0 0 "[ . 1 . 2]" 1
221 1 55 GLU H 1 129 VAL MG1 . . 4.560 3.325 2.974 3.833 . 0 0 "[ . 1 . 2]" 1
222 1 55 GLU HA 1 55 GLU HG2 . . 4.150 3.416 2.524 4.179 0.029 15 0 "[ . 1 . 2]" 1
223 1 55 GLU HA 1 55 GLU QG . . 3.600 3.079 2.436 3.362 . 0 0 "[ . 1 . 2]" 1
224 1 55 GLU HA 1 55 GLU HG3 . . 4.150 3.620 3.161 3.866 . 0 0 "[ . 1 . 2]" 1
225 1 55 GLU QB 1 56 ARG H . . 3.540 2.872 2.060 3.489 . 0 0 "[ . 1 . 2]" 1
226 1 55 GLU HB2 1 56 ARG H . . 4.050 3.036 2.079 3.841 . 0 0 "[ . 1 . 2]" 1
227 1 55 GLU HB3 1 56 ARG H . . 4.050 3.734 3.178 4.159 0.109 15 0 "[ . 1 . 2]" 1
228 1 55 GLU QG 1 56 ARG H . . 4.020 2.884 1.805 3.960 . 0 0 "[ . 1 . 2]" 1
229 1 55 GLU HG2 1 56 ARG H . . 4.640 3.566 2.583 4.762 0.122 16 0 "[ . 1 . 2]" 1
230 1 55 GLU HG3 1 56 ARG H . . 4.640 3.126 1.833 4.672 0.032 2 0 "[ . 1 . 2]" 1
231 1 56 ARG H 1 56 ARG HG2 . . 5.040 4.651 4.533 4.795 . 0 0 "[ . 1 . 2]" 1
232 1 56 ARG H 1 56 ARG QG . . 4.400 4.201 3.786 4.369 . 0 0 "[ . 1 . 2]" 1
233 1 56 ARG H 1 56 ARG HG3 . . 5.040 4.863 3.976 5.169 0.129 7 0 "[ . 1 . 2]" 1
234 1 56 ARG H 1 129 VAL MG1 . . 4.370 2.887 2.692 3.238 . 0 0 "[ . 1 . 2]" 1
235 1 56 ARG HA 1 56 ARG HG2 . . 4.190 2.484 2.225 2.921 . 0 0 "[ . 1 . 2]" 1
236 1 56 ARG HA 1 56 ARG QG . . 3.680 2.333 2.141 2.438 . 0 0 "[ . 1 . 2]" 1
237 1 56 ARG HA 1 56 ARG HG3 . . 4.190 3.119 2.497 3.601 . 0 0 "[ . 1 . 2]" 1
238 1 56 ARG HA 1 57 ALA H . . 3.180 2.222 2.107 2.317 . 0 0 "[ . 1 . 2]" 1
239 1 56 ARG HA 1 129 VAL MG1 . . 3.390 2.280 2.132 2.404 . 0 0 "[ . 1 . 2]" 1
240 1 56 ARG HA 1 130 PRO QD . . 4.040 2.550 2.077 2.929 . 0 0 "[ . 1 . 2]" 1
241 1 56 ARG HA 1 130 PRO HG2 . . 4.630 2.701 2.192 3.674 . 0 0 "[ . 1 . 2]" 1
242 1 56 ARG HA 1 130 PRO QG . . 3.910 2.670 2.175 3.567 . 0 0 "[ . 1 . 2]" 1
243 1 56 ARG HA 1 130 PRO HG3 . . 4.630 4.241 3.661 4.825 0.195 11 0 "[ . 1 . 2]" 1
244 1 56 ARG QB 1 57 ALA H . . 3.570 3.426 2.620 3.654 0.084 7 0 "[ . 1 . 2]" 1
245 1 56 ARG QD 1 132 ALA MB . . 3.960 3.253 2.460 3.866 . 0 0 "[ . 1 . 2]" 1
246 1 56 ARG QG 1 130 PRO QG . . 3.520 2.345 1.891 2.938 . 0 0 "[ . 1 . 2]" 1
247 1 56 ARG HG2 1 57 ALA H . . 4.110 2.608 2.151 3.516 . 0 0 "[ . 1 . 2]" 1
248 1 56 ARG HG2 1 130 PRO HG2 . . 4.910 2.839 2.020 3.457 . 0 0 "[ . 1 . 2]" 1
249 1 56 ARG HG2 1 130 PRO HG3 . . 4.910 4.523 3.692 5.098 0.188 5 0 "[ . 1 . 2]" 1
250 1 56 ARG HG3 1 57 ALA H . . 4.110 3.958 2.991 4.384 0.274 8 0 "[ . 1 . 2]" 1
251 1 56 ARG HG3 1 130 PRO HG2 . . 4.910 2.811 1.912 3.559 . 0 0 "[ . 1 . 2]" 1
252 1 56 ARG HG3 1 130 PRO HG3 . . 4.910 4.259 3.413 4.954 0.044 15 0 "[ . 1 . 2]" 1
253 1 57 ALA H 1 129 VAL MG1 . . 3.440 2.449 2.262 2.827 . 0 0 "[ . 1 . 2]" 1
254 1 57 ALA H 1 131 VAL HA . . 3.430 2.502 2.351 2.781 . 0 0 "[ . 1 . 2]" 1
255 1 57 ALA H 1 131 VAL MG2 . . 4.080 3.183 2.723 3.696 . 0 0 "[ . 1 . 2]" 1
256 1 57 ALA H 1 132 ALA H . . 4.450 3.871 3.627 4.104 . 0 0 "[ . 1 . 2]" 1
257 1 57 ALA HA 1 58 GLU H . . 3.480 2.376 2.238 2.497 . 0 0 "[ . 1 . 2]" 1
258 1 57 ALA HA 1 129 VAL MG1 . . 4.580 3.699 3.498 3.804 . 0 0 "[ . 1 . 2]" 1
259 1 57 ALA HA 1 131 VAL HA . . 4.830 4.228 4.085 4.276 . 0 0 "[ . 1 . 2]" 1
260 1 57 ALA HA 1 131 VAL MG1 . . 4.540 4.119 3.988 4.192 . 0 0 "[ . 1 . 2]" 1
261 1 57 ALA HA 1 131 VAL MG2 . . 3.970 3.881 3.751 3.995 0.025 13 0 "[ . 1 . 2]" 1
262 1 58 GLU H 1 58 GLU HB2 . . 3.730 2.508 2.435 2.629 . 0 0 "[ . 1 . 2]" 1
263 1 58 GLU H 1 58 GLU HB3 . . 3.900 3.686 3.629 3.747 . 0 0 "[ . 1 . 2]" 1
264 1 58 GLU H 1 58 GLU QG . . 4.100 3.239 2.952 3.771 . 0 0 "[ . 1 . 2]" 1
265 1 58 GLU H 1 59 ALA H . . 4.580 4.383 4.334 4.439 . 0 0 "[ . 1 . 2]" 1
266 1 58 GLU H 1 61 VAL HB . . 4.170 3.154 2.879 3.844 . 0 0 "[ . 1 . 2]" 1
267 1 58 GLU H 1 61 VAL MG2 . . 4.730 4.386 4.089 4.871 0.141 13 0 "[ . 1 . 2]" 1
268 1 58 GLU H 1 131 VAL MG1 . . 4.250 3.123 2.874 3.382 . 0 0 "[ . 1 . 2]" 1
269 1 58 GLU HA 1 58 GLU QG . . 3.600 2.326 2.273 2.408 . 0 0 "[ . 1 . 2]" 1
270 1 58 GLU HA 1 59 ALA H . . 2.890 2.149 2.109 2.210 . 0 0 "[ . 1 . 2]" 1
271 1 58 GLU HA 1 59 ALA HA . . 4.860 4.285 4.259 4.312 . 0 0 "[ . 1 . 2]" 1
272 1 58 GLU HA 1 61 VAL HB . . 4.900 4.346 4.097 4.605 . 0 0 "[ . 1 . 2]" 1
273 1 58 GLU HA 1 131 VAL HA . . 4.560 3.679 3.220 3.896 . 0 0 "[ . 1 . 2]" 1
274 1 58 GLU HA 1 131 VAL MG1 . . 3.740 2.574 2.358 2.750 . 0 0 "[ . 1 . 2]" 1
275 1 58 GLU HA 1 132 ALA H . . 3.470 2.454 2.163 2.588 . 0 0 "[ . 1 . 2]" 1
276 1 58 GLU HB2 1 59 ALA H . . 4.510 4.124 4.014 4.227 . 0 0 "[ . 1 . 2]" 1
277 1 58 GLU HB2 1 61 VAL H . . 4.410 4.302 4.087 4.499 0.089 19 0 "[ . 1 . 2]" 1
278 1 58 GLU HB2 1 61 VAL HB . . 3.520 1.983 1.758 2.393 . 0 0 "[ . 1 . 2]" 1
279 1 58 GLU HB2 1 61 VAL MG1 . . 3.750 2.754 2.542 3.065 . 0 0 "[ . 1 . 2]" 1
280 1 58 GLU HB2 1 61 VAL MG2 . . 3.430 2.560 2.307 3.075 . 0 0 "[ . 1 . 2]" 1
281 1 58 GLU HB2 1 132 ALA H . . 5.410 5.320 4.902 5.497 0.087 20 0 "[ . 1 . 2]" 1
282 1 58 GLU HB3 1 59 ALA H . . 4.000 3.025 2.807 3.215 . 0 0 "[ . 1 . 2]" 1
283 1 58 GLU HB3 1 61 VAL H . . 4.410 4.565 4.386 4.685 0.275 19 0 "[ . 1 . 2]" 1
284 1 58 GLU HB3 1 61 VAL HB . . 3.490 2.950 2.359 3.445 . 0 0 "[ . 1 . 2]" 1
285 1 58 GLU HB3 1 61 VAL MG1 . . 4.290 3.785 3.281 4.239 . 0 0 "[ . 1 . 2]" 1
286 1 58 GLU HB3 1 61 VAL MG2 . . 3.420 2.438 2.296 2.626 . 0 0 "[ . 1 . 2]" 1
287 1 58 GLU QG 1 59 ALA H . . 3.890 3.784 3.608 3.946 0.056 20 0 "[ . 1 . 2]" 1
288 1 58 GLU QG 1 59 ALA MB . . 5.500 5.095 4.946 5.275 . 0 0 "[ . 1 . 2]" 1
289 1 58 GLU QG 1 61 VAL MG2 . . 3.880 3.708 3.204 3.945 0.065 14 0 "[ . 1 . 2]" 1
290 1 58 GLU QG 1 131 VAL MG1 . . 4.520 4.183 3.957 4.378 . 0 0 "[ . 1 . 2]" 1
291 1 58 GLU QG 1 132 ALA H . . 3.680 3.621 3.021 3.807 0.127 20 0 "[ . 1 . 2]" 1
292 1 58 GLU QG 1 132 ALA MB . . 4.060 3.584 3.078 3.877 . 0 0 "[ . 1 . 2]" 1
293 1 59 ALA H 1 59 ALA HA . . 2.970 2.817 2.797 2.850 . 0 0 "[ . 1 . 2]" 1
294 1 59 ALA H 1 131 VAL MG1 . . 3.370 2.564 2.443 2.834 . 0 0 "[ . 1 . 2]" 1
295 1 59 ALA H 1 132 ALA H . . 3.980 3.492 3.282 3.633 . 0 0 "[ . 1 . 2]" 1
296 1 59 ALA HA 1 60 GLY H . . 2.950 2.137 2.116 2.183 . 0 0 "[ . 1 . 2]" 1
297 1 59 ALA HA 1 60 GLY QA . . 4.030 3.903 3.889 3.939 . 0 0 "[ . 1 . 2]" 1
298 1 59 ALA HA 1 61 VAL H . . 3.820 3.605 3.463 3.733 . 0 0 "[ . 1 . 2]" 1
299 1 59 ALA HA 1 105 VAL H . . 4.690 3.584 2.785 4.093 . 0 0 "[ . 1 . 2]" 1
300 1 59 ALA HA 1 106 GLN HA . . 4.870 4.615 4.065 4.903 0.033 13 0 "[ . 1 . 2]" 1
301 1 59 ALA HA 1 108 PRO HA . . 4.440 4.246 4.008 4.519 0.079 20 0 "[ . 1 . 2]" 1
302 1 59 ALA HA 1 131 VAL MG1 . . 3.380 2.523 2.348 2.745 . 0 0 "[ . 1 . 2]" 1
303 1 59 ALA MB 1 60 GLY H . . 3.520 3.254 3.170 3.311 . 0 0 "[ . 1 . 2]" 1
304 1 59 ALA MB 1 106 GLN HA . . 4.400 4.187 3.746 4.460 0.060 20 0 "[ . 1 . 2]" 1
305 1 59 ALA MB 1 107 GLU H . . 4.500 3.964 3.824 4.129 . 0 0 "[ . 1 . 2]" 1
306 1 59 ALA MB 1 107 GLU HA . . 3.810 3.057 2.629 3.576 . 0 0 "[ . 1 . 2]" 1
307 1 59 ALA MB 1 108 PRO HA . . 4.000 2.790 2.571 3.267 . 0 0 "[ . 1 . 2]" 1
308 1 59 ALA MB 1 108 PRO HB2 . . 3.870 3.972 3.904 4.059 0.189 15 0 "[ . 1 . 2]" 1
309 1 59 ALA MB 1 108 PRO HB3 . . 3.780 2.501 2.394 2.598 . 0 0 "[ . 1 . 2]" 1
310 1 59 ALA MB 1 108 PRO HD2 . . 3.980 3.657 3.375 3.958 . 0 0 "[ . 1 . 2]" 1
311 1 59 ALA MB 1 108 PRO HD3 . . 3.290 2.294 2.043 2.584 . 0 0 "[ . 1 . 2]" 1
312 1 59 ALA MB 1 108 PRO HG2 . . 4.330 4.289 4.143 4.433 0.103 2 0 "[ . 1 . 2]" 1
313 1 59 ALA MB 1 108 PRO HG3 . . 3.790 3.415 3.226 3.587 . 0 0 "[ . 1 . 2]" 1
314 1 59 ALA MB 1 131 VAL HB . . 5.220 4.448 4.147 4.779 . 0 0 "[ . 1 . 2]" 1
315 1 59 ALA MB 1 131 VAL MG1 . . 3.240 2.564 2.342 2.860 . 0 0 "[ . 1 . 2]" 1
316 1 60 GLY H 1 61 VAL H . . 3.350 2.379 2.234 2.654 . 0 0 "[ . 1 . 2]" 1
317 1 60 GLY H 1 104 VAL MG2 . . 3.650 3.832 3.698 4.067 0.417 14 0 "[ . 1 . 2]" 1
318 1 60 GLY H 1 105 VAL H . . 4.320 2.568 2.310 3.310 . 0 0 "[ . 1 . 2]" 1
319 1 60 GLY H 1 106 GLN HA . . 3.690 3.509 3.185 3.808 0.118 13 0 "[ . 1 . 2]" 1
320 1 60 GLY QA 1 104 VAL MG2 . . 3.240 3.262 3.106 3.390 0.150 19 0 "[ . 1 . 2]" 1
321 1 60 GLY QA 1 106 GLN HA . . 4.170 3.408 3.041 3.820 . 0 0 "[ . 1 . 2]" 1
322 1 61 VAL H 1 61 VAL HB . . 3.000 2.755 2.677 2.897 . 0 0 "[ . 1 . 2]" 1
323 1 61 VAL H 1 61 VAL MG1 . . 3.970 3.895 3.853 3.958 . 0 0 "[ . 1 . 2]" 1
324 1 61 VAL H 1 61 VAL MG2 . . 3.090 2.920 2.848 3.026 . 0 0 "[ . 1 . 2]" 1
325 1 61 VAL H 1 62 PRO QD . . 4.780 4.095 3.739 4.222 . 0 0 "[ . 1 . 2]" 1
326 1 61 VAL H 1 104 VAL MG2 . . 3.770 4.232 4.142 4.348 0.578 19 4 "[ . *- *. +2]" 1
327 1 61 VAL H 1 105 VAL H . . 4.450 3.063 2.781 3.727 . 0 0 "[ . 1 . 2]" 1
328 1 61 VAL HA 1 61 VAL MG1 . . 3.300 2.431 2.338 2.462 . 0 0 "[ . 1 . 2]" 1
329 1 61 VAL HA 1 61 VAL MG2 . . 3.250 2.404 2.351 2.498 . 0 0 "[ . 1 . 2]" 1
330 1 61 VAL HA 1 62 PRO HD2 . . 3.400 2.416 2.137 2.728 . 0 0 "[ . 1 . 2]" 1
331 1 61 VAL HA 1 62 PRO QD . . 2.870 1.897 1.789 1.993 . 0 0 "[ . 1 . 2]" 1
332 1 61 VAL HA 1 62 PRO HD3 . . 3.400 2.050 1.814 2.298 . 0 0 "[ . 1 . 2]" 1
333 1 61 VAL HA 1 62 PRO HG2 . . 4.340 4.362 4.299 4.408 0.068 1 0 "[ . 1 . 2]" 1
334 1 61 VAL HA 1 62 PRO HG3 . . 4.380 4.187 3.948 4.387 0.007 20 0 "[ . 1 . 2]" 1
335 1 61 VAL HA 1 104 VAL MG1 . . 4.400 3.496 2.955 4.069 . 0 0 "[ . 1 . 2]" 1
336 1 61 VAL HB 1 62 PRO HD2 . . 5.280 4.454 4.176 4.698 . 0 0 "[ . 1 . 2]" 1
337 1 61 VAL HB 1 62 PRO QD . . 4.490 4.083 3.970 4.212 . 0 0 "[ . 1 . 2]" 1
338 1 61 VAL HB 1 62 PRO HD3 . . 5.280 4.798 4.563 5.014 . 0 0 "[ . 1 . 2]" 1
339 1 61 VAL MG1 1 62 PRO HD2 . . 3.620 2.316 2.046 2.819 . 0 0 "[ . 1 . 2]" 1
340 1 61 VAL MG1 1 62 PRO HD3 . . 3.620 3.338 2.983 3.645 0.025 14 0 "[ . 1 . 2]" 1
341 1 61 VAL MG1 1 62 PRO HG2 . . 4.710 4.002 3.367 4.717 0.007 13 0 "[ . 1 . 2]" 1
342 1 61 VAL MG1 1 62 PRO HG3 . . 5.040 4.595 4.277 5.088 0.048 13 0 "[ . 1 . 2]" 1
343 1 61 VAL MG2 1 62 PRO HD2 . . 4.270 3.834 3.539 4.254 . 0 0 "[ . 1 . 2]" 1
344 1 61 VAL MG2 1 62 PRO QD . . 3.720 3.464 3.366 3.745 0.025 13 0 "[ . 1 . 2]" 1
345 1 61 VAL MG2 1 62 PRO HD3 . . 4.270 4.023 3.769 4.284 0.014 19 0 "[ . 1 . 2]" 1
346 1 62 PRO HA 1 63 ALA H . . 3.260 2.165 2.032 2.227 . 0 0 "[ . 1 . 2]" 1
347 1 62 PRO HA 1 103 TYR H . . 4.330 3.629 3.094 4.126 . 0 0 "[ . 1 . 2]" 1
348 1 62 PRO HA 1 104 VAL MG1 . . 3.940 2.041 1.740 2.281 . 0 0 "[ . 1 . 2]" 1
349 1 62 PRO QB 1 63 ALA H . . 3.800 3.640 3.304 3.738 . 0 0 "[ . 1 . 2]" 1
350 1 62 PRO QB 1 102 ALA MB . . 3.870 2.490 2.062 3.037 . 0 0 "[ . 1 . 2]" 1
351 1 62 PRO QB 1 103 TYR H . . 5.340 4.217 3.647 4.904 . 0 0 "[ . 1 . 2]" 1
352 1 62 PRO QB 1 104 VAL MG1 . . 4.110 2.598 2.127 3.323 . 0 0 "[ . 1 . 2]" 1
353 1 62 PRO HB2 1 63 ALA H . . 4.520 4.062 3.582 4.257 . 0 0 "[ . 1 . 2]" 1
354 1 62 PRO HB2 1 104 VAL MG1 . . 4.440 3.757 3.458 4.175 . 0 0 "[ . 1 . 2]" 1
355 1 62 PRO HB3 1 63 ALA H . . 4.520 4.133 3.875 4.356 . 0 0 "[ . 1 . 2]" 1
356 1 62 PRO HB3 1 104 VAL MG1 . . 4.440 2.657 2.146 3.490 . 0 0 "[ . 1 . 2]" 1
357 1 62 PRO QD 1 104 VAL MG1 . . 3.810 2.680 2.300 3.049 . 0 0 "[ . 1 . 2]" 1
358 1 62 PRO HG2 1 104 VAL MG1 . . 4.360 3.962 3.673 4.315 . 0 0 "[ . 1 . 2]" 1
359 1 62 PRO HG3 1 104 VAL MG1 . . 4.430 2.891 2.279 3.584 . 0 0 "[ . 1 . 2]" 1
360 1 63 ALA H 1 63 ALA MB . . 3.590 2.294 2.241 2.438 . 0 0 "[ . 1 . 2]" 1
361 1 63 ALA H 1 103 TYR H . . 3.540 2.797 2.587 3.061 . 0 0 "[ . 1 . 2]" 1
362 1 63 ALA H 1 104 VAL HA . . 4.840 3.274 2.922 4.067 . 0 0 "[ . 1 . 2]" 1
363 1 63 ALA H 1 104 VAL MG1 . . 4.570 3.606 2.906 3.985 . 0 0 "[ . 1 . 2]" 1
364 1 63 ALA HA 1 64 GLU H . . 3.170 2.159 2.125 2.216 . 0 0 "[ . 1 . 2]" 1
365 1 63 ALA MB 1 64 GLU H . . 4.000 3.239 2.918 3.488 . 0 0 "[ . 1 . 2]" 1
366 1 63 ALA MB 1 103 TYR H . . 4.070 3.258 2.958 3.659 . 0 0 "[ . 1 . 2]" 1
367 1 63 ALA MB 1 103 TYR QD . . 4.050 3.524 3.028 3.752 . 0 0 "[ . 1 . 2]" 1
368 1 63 ALA MB 1 103 TYR QE . . 3.220 3.197 2.791 3.353 0.133 12 0 "[ . 1 . 2]" 1
369 1 64 GLU H 1 64 GLU QB . . 3.900 2.507 2.271 3.135 . 0 0 "[ . 1 . 2]" 1
370 1 64 GLU H 1 64 GLU QG . . 3.850 3.178 2.248 4.059 0.209 7 0 "[ . 1 . 2]" 1
371 1 64 GLU HA 1 65 PHE H . . 3.510 2.118 2.073 2.142 . 0 0 "[ . 1 . 2]" 1
372 1 64 GLU HA 1 102 ALA HA . . 3.780 2.088 1.873 2.408 . 0 0 "[ . 1 . 2]" 1
373 1 64 GLU HA 1 102 ALA MB . . 4.070 2.976 2.566 3.470 . 0 0 "[ . 1 . 2]" 1
374 1 64 GLU HA 1 103 TYR H . . 4.310 3.734 3.278 3.927 . 0 0 "[ . 1 . 2]" 1
375 1 64 GLU QB 1 65 PHE H . . 4.300 3.446 3.115 3.847 . 0 0 "[ . 1 . 2]" 1
376 1 64 GLU QB 1 102 ALA HA . . 4.510 3.536 2.381 4.111 . 0 0 "[ . 1 . 2]" 1
377 1 64 GLU QB 1 102 ALA MB . . 3.910 2.774 1.832 3.880 . 0 0 "[ . 1 . 2]" 1
378 1 64 GLU QB 1 103 TYR H . . 5.500 5.100 4.301 5.545 0.045 18 0 "[ . 1 . 2]" 1
379 1 64 GLU QG 1 102 ALA HA . . 4.370 3.161 2.463 3.769 . 0 0 "[ . 1 . 2]" 1
380 1 64 GLU QG 1 102 ALA MB . . 3.550 2.216 1.812 2.719 . 0 0 "[ . 1 . 2]" 1
381 1 65 PHE H 1 65 PHE QD . . 4.970 2.621 1.733 2.899 . 0 0 "[ . 1 . 2]" 1
382 1 65 PHE H 1 101 VAL H . . 4.450 3.112 2.755 3.482 . 0 0 "[ . 1 . 2]" 1
383 1 65 PHE H 1 101 VAL HB . . 5.010 3.613 3.040 4.025 . 0 0 "[ . 1 . 2]" 1
384 1 65 PHE H 1 102 ALA HA . . 4.320 3.548 3.363 3.924 . 0 0 "[ . 1 . 2]" 1
385 1 65 PHE QD 1 67 ILE MD . . 4.700 3.558 2.414 4.352 . 0 0 "[ . 1 . 2]" 1
386 1 65 PHE QD 1 67 ILE HG12 . . 4.940 2.937 2.195 4.473 . 0 0 "[ . 1 . 2]" 1
387 1 65 PHE QD 1 67 ILE HG13 . . 4.960 3.066 2.688 3.839 . 0 0 "[ . 1 . 2]" 1
388 1 65 PHE QD 1 101 VAL MG1 . . 4.840 4.182 3.843 4.437 . 0 0 "[ . 1 . 2]" 1
389 1 65 PHE QD 1 103 TYR QE . . 3.860 2.897 2.229 3.939 0.079 13 0 "[ . 1 . 2]" 1
390 1 65 PHE QE 1 67 ILE MD . . 3.520 2.261 1.937 2.835 . 0 0 "[ . 1 . 2]" 1
391 1 65 PHE QE 1 67 ILE HG12 . . 4.640 2.896 2.178 3.548 . 0 0 "[ . 1 . 2]" 1
392 1 65 PHE QE 1 67 ILE HG13 . . 4.320 3.179 2.547 4.340 0.020 13 0 "[ . 1 . 2]" 1
393 1 65 PHE QE 1 79 ILE MG . . 4.030 3.322 2.954 4.105 0.075 13 0 "[ . 1 . 2]" 1
394 1 65 PHE QE 1 81 VAL MG2 . . 5.230 4.023 3.641 4.986 . 0 0 "[ . 1 . 2]" 1
395 1 65 PHE QE 1 101 VAL MG1 . . 3.850 2.932 2.664 3.154 . 0 0 "[ . 1 . 2]" 1
396 1 65 PHE QE 1 103 TYR QD . . 3.520 2.102 1.882 2.458 . 0 0 "[ . 1 . 2]" 1
397 1 65 PHE QE 1 103 TYR QE . . 3.510 2.907 2.255 3.516 0.006 12 0 "[ . 1 . 2]" 1
398 1 65 PHE QE 1 113 VAL MG1 . . 3.940 3.134 2.778 3.674 . 0 0 "[ . 1 . 2]" 1
399 1 65 PHE QE 1 113 VAL MG2 . . 4.480 3.718 3.303 4.082 . 0 0 "[ . 1 . 2]" 1
400 1 65 PHE QE 1 115 VAL MG1 . . 3.580 3.160 2.733 3.851 0.271 13 0 "[ . 1 . 2]" 1
401 1 65 PHE HZ 1 79 ILE MD . . 4.210 3.408 1.970 4.249 0.039 15 0 "[ . 1 . 2]" 1
402 1 65 PHE HZ 1 79 ILE MG . . 3.640 2.228 1.896 3.284 . 0 0 "[ . 1 . 2]" 1
403 1 65 PHE HZ 1 101 VAL MG1 . . 3.730 2.776 2.426 3.783 0.053 13 0 "[ . 1 . 2]" 1
404 1 65 PHE HZ 1 113 VAL MG1 . . 3.770 2.725 2.320 3.293 . 0 0 "[ . 1 . 2]" 1
405 1 65 PHE HZ 1 115 VAL MG1 . . 4.370 3.729 3.129 4.415 0.045 9 0 "[ . 1 . 2]" 1
406 1 66 SER HA 1 67 ILE HA . . 5.030 4.462 4.349 5.300 0.270 9 0 "[ . 1 . 2]" 1
407 1 66 SER HA 1 100 GLY QA . . 5.290 2.529 1.967 4.764 . 0 0 "[ . 1 . 2]" 1
408 1 66 SER HA 1 101 VAL H . . 4.640 3.531 3.199 4.073 . 0 0 "[ . 1 . 2]" 1
409 1 67 ILE H 1 67 ILE MG . . 3.940 3.738 2.415 3.880 . 0 0 "[ . 1 . 2]" 1
410 1 67 ILE HA 1 67 ILE MG . . 3.420 2.370 2.191 2.452 . 0 0 "[ . 1 . 2]" 1
411 1 67 ILE HB 1 67 ILE MD . . 3.550 2.426 2.319 2.462 . 0 0 "[ . 1 . 2]" 1
412 1 67 ILE HB 1 101 VAL MG2 . . 5.170 4.399 3.768 5.206 0.036 9 0 "[ . 1 . 2]" 1
413 1 67 ILE MD 1 79 ILE MD . . 2.870 2.209 1.932 2.950 0.080 15 0 "[ . 1 . 2]" 1
414 1 67 ILE MD 1 79 ILE QG . . 4.030 2.799 2.258 3.616 . 0 0 "[ . 1 . 2]" 1
415 1 67 ILE MD 1 101 VAL MG2 . . 3.340 2.457 1.983 3.216 . 0 0 "[ . 1 . 2]" 1
416 1 67 ILE HG12 1 67 ILE MG . . 2.640 2.373 2.188 2.421 . 0 0 "[ . 1 . 2]" 1
417 1 67 ILE HG13 1 67 ILE MG . . 3.400 3.175 2.594 3.211 . 0 0 "[ . 1 . 2]" 1
418 1 67 ILE HG13 1 101 VAL MG2 . . 4.390 3.156 2.464 4.187 . 0 0 "[ . 1 . 2]" 1
419 1 69 THR H 1 69 THR MG . . 4.410 2.993 1.965 3.967 . 0 0 "[ . 1 . 2]" 1
420 1 69 THR HA 1 69 THR MG . . 3.520 2.370 2.197 3.227 . 0 0 "[ . 1 . 2]" 1
421 1 69 THR HB 1 72 ALA MB . . 4.300 3.614 1.773 4.474 0.174 6 0 "[ . 1 . 2]" 1
422 1 69 THR MG 1 77 LEU HG . . 4.290 3.873 3.122 4.437 0.147 14 0 "[ . 1 . 2]" 1
423 1 69 THR MG 1 117 PHE QD . . 4.510 3.272 2.498 4.395 . 0 0 "[ . 1 . 2]" 1
424 1 69 THR MG 1 117 PHE QE . . 4.380 2.646 2.013 3.650 . 0 0 "[ . 1 . 2]" 1
425 1 71 GLU H 1 71 GLU QG . . 4.630 3.031 2.190 4.146 . 0 0 "[ . 1 . 2]" 1
426 1 71 GLU HA 1 71 GLU QG . . 3.450 2.603 2.326 3.505 0.055 3 0 "[ . 1 . 2]" 1
427 1 72 ALA MB 1 73 GLY H . . 4.020 2.421 1.917 2.856 . 0 0 "[ . 1 . 2]" 1
428 1 72 ALA MB 1 117 PHE QE . . 4.420 2.594 1.976 2.926 . 0 0 "[ . 1 . 2]" 1
429 1 73 GLY H 1 74 ALA H . . 4.360 2.399 2.079 2.886 . 0 0 "[ . 1 . 2]" 1
430 1 73 GLY QA 1 74 ALA H . . 2.890 2.804 2.658 2.916 0.026 2 0 "[ . 1 . 2]" 1
431 1 74 ALA H 1 74 ALA MB . . 2.880 2.883 2.718 2.950 0.070 9 0 "[ . 1 . 2]" 1
432 1 74 ALA H 1 75 GLY H . . 4.330 4.434 4.217 4.606 0.276 11 0 "[ . 1 . 2]" 1
433 1 74 ALA HA 1 75 GLY H . . 2.880 2.499 2.241 2.761 . 0 0 "[ . 1 . 2]" 1
434 1 74 ALA MB 1 75 GLY H . . 3.620 2.242 1.891 2.800 . 0 0 "[ . 1 . 2]" 1
435 1 74 ALA MB 1 75 GLY QA . . 4.730 3.518 3.422 3.595 . 0 0 "[ . 1 . 2]" 1
436 1 75 GLY H 1 76 GLY H . . 4.560 4.149 3.024 4.395 . 0 0 "[ . 1 . 2]" 1
437 1 75 GLY QA 1 76 GLY H . . 3.070 2.213 2.071 2.298 . 0 0 "[ . 1 . 2]" 1
438 1 75 GLY QA 1 117 PHE QE . . 4.490 2.930 2.061 4.340 . 0 0 "[ . 1 . 2]" 1
439 1 75 GLY QA 1 118 ASN QD . . 3.200 2.881 2.055 3.365 0.165 15 0 "[ . 1 . 2]" 1
440 1 76 GLY H 1 77 LEU H . . 4.810 4.156 2.733 4.459 . 0 0 "[ . 1 . 2]" 1
441 1 76 GLY H 1 118 ASN H . . 4.260 3.150 2.533 4.612 0.352 2 0 "[ . 1 . 2]" 1
442 1 76 GLY H 1 118 ASN QD . . 4.640 3.736 3.195 4.446 . 0 0 "[ . 1 . 2]" 1
443 1 76 GLY QA 1 77 LEU H . . 2.950 2.154 2.081 2.445 . 0 0 "[ . 1 . 2]" 1
444 1 76 GLY QA 1 77 LEU HB2 . . 4.630 4.332 4.176 4.637 0.007 16 0 "[ . 1 . 2]" 1
445 1 76 GLY QA 1 77 LEU HG . . 4.440 4.081 3.814 4.493 0.053 2 0 "[ . 1 . 2]" 1
446 1 77 LEU H 1 77 LEU HB2 . . 3.320 2.399 2.281 2.457 . 0 0 "[ . 1 . 2]" 1
447 1 77 LEU H 1 77 LEU HB3 . . 3.920 3.613 3.528 3.647 . 0 0 "[ . 1 . 2]" 1
448 1 77 LEU H 1 77 LEU MD1 . . 4.650 3.780 3.384 3.946 . 0 0 "[ . 1 . 2]" 1
449 1 77 LEU H 1 77 LEU MD2 . . 5.320 3.908 3.605 4.375 . 0 0 "[ . 1 . 2]" 1
450 1 77 LEU H 1 77 LEU HG . . 4.320 2.953 2.522 3.347 . 0 0 "[ . 1 . 2]" 1
451 1 77 LEU H 1 78 ALA H . . 4.750 4.237 4.186 4.314 . 0 0 "[ . 1 . 2]" 1
452 1 77 LEU HA 1 77 LEU MD1 . . 3.870 3.855 3.750 3.882 0.012 1 0 "[ . 1 . 2]" 1
453 1 77 LEU HA 1 77 LEU MD2 . . 3.450 2.077 1.991 2.559 . 0 0 "[ . 1 . 2]" 1
454 1 77 LEU HA 1 78 ALA H . . 2.990 2.127 2.100 2.154 . 0 0 "[ . 1 . 2]" 1
455 1 77 LEU HA 1 117 PHE HA . . 3.750 2.687 2.493 2.823 . 0 0 "[ . 1 . 2]" 1
456 1 77 LEU HA 1 117 PHE QD . . 4.570 3.754 3.430 4.184 . 0 0 "[ . 1 . 2]" 1
457 1 77 LEU HB2 1 77 LEU MD1 . . 3.290 2.271 2.134 2.306 . 0 0 "[ . 1 . 2]" 1
458 1 77 LEU HB2 1 78 ALA H . . 4.780 4.418 4.340 4.515 . 0 0 "[ . 1 . 2]" 1
459 1 77 LEU HB2 1 79 ILE MD . . 4.960 3.670 2.943 4.658 . 0 0 "[ . 1 . 2]" 1
460 1 77 LEU HB2 1 91 PHE HZ . . 4.980 4.395 3.079 5.033 0.053 16 0 "[ . 1 . 2]" 1
461 1 77 LEU HB3 1 77 LEU MD1 . . 3.530 2.440 2.377 2.723 . 0 0 "[ . 1 . 2]" 1
462 1 77 LEU HB3 1 77 LEU MD2 . . 3.510 2.297 2.119 2.345 . 0 0 "[ . 1 . 2]" 1
463 1 77 LEU HB3 1 78 ALA H . . 4.040 3.659 3.459 3.742 . 0 0 "[ . 1 . 2]" 1
464 1 77 LEU HB3 1 79 ILE MD . . 4.300 2.590 1.892 3.617 . 0 0 "[ . 1 . 2]" 1
465 1 77 LEU MD1 1 91 PHE QE . . 4.290 3.057 2.069 4.394 0.104 13 0 "[ . 1 . 2]" 1
466 1 77 LEU MD1 1 91 PHE HZ . . 4.330 3.137 2.047 4.439 0.109 13 0 "[ . 1 . 2]" 1
467 1 77 LEU MD1 1 117 PHE QD . . 3.900 3.665 2.295 3.960 0.060 8 0 "[ . 1 . 2]" 1
468 1 77 LEU MD2 1 78 ALA H . . 3.700 3.613 3.379 3.734 0.034 16 0 "[ . 1 . 2]" 1
469 1 77 LEU MD2 1 117 PHE HA . . 3.950 2.475 2.119 2.778 . 0 0 "[ . 1 . 2]" 1
470 1 77 LEU MD2 1 117 PHE HB2 . . 4.470 2.595 1.894 2.980 . 0 0 "[ . 1 . 2]" 1
471 1 77 LEU MD2 1 117 PHE QB . . 3.660 2.563 1.883 2.927 . 0 0 "[ . 1 . 2]" 1
472 1 77 LEU MD2 1 117 PHE HB3 . . 4.470 3.985 3.338 4.282 . 0 0 "[ . 1 . 2]" 1
473 1 77 LEU MD2 1 117 PHE QD . . 3.630 1.902 1.814 2.143 . 0 0 "[ . 1 . 2]" 1
474 1 77 LEU MD2 1 118 ASN H . . 4.890 4.026 3.783 4.314 . 0 0 "[ . 1 . 2]" 1
475 1 77 LEU HG 1 78 ALA H . . 5.310 5.006 4.494 5.106 . 0 0 "[ . 1 . 2]" 1
476 1 77 LEU HG 1 117 PHE QD . . 4.160 2.907 1.998 3.659 . 0 0 "[ . 1 . 2]" 1
477 1 78 ALA H 1 78 ALA MB . . 3.620 2.392 2.319 2.458 . 0 0 "[ . 1 . 2]" 1
478 1 78 ALA H 1 116 LYS H . . 3.860 3.036 2.925 3.208 . 0 0 "[ . 1 . 2]" 1
479 1 78 ALA H 1 117 PHE HA . . 4.110 3.585 3.364 3.771 . 0 0 "[ . 1 . 2]" 1
480 1 78 ALA HA 1 79 ILE H . . 3.090 2.131 2.108 2.175 . 0 0 "[ . 1 . 2]" 1
481 1 78 ALA HA 1 79 ILE HB . . 4.790 4.503 4.318 4.620 . 0 0 "[ . 1 . 2]" 1
482 1 78 ALA HA 1 79 ILE QG . . 4.680 4.238 3.486 4.699 0.019 16 0 "[ . 1 . 2]" 1
483 1 78 ALA MB 1 79 ILE H . . 3.680 3.317 2.894 3.423 . 0 0 "[ . 1 . 2]" 1
484 1 78 ALA MB 1 116 LYS H . . 4.200 3.542 3.159 3.925 . 0 0 "[ . 1 . 2]" 1
485 1 78 ALA MB 1 116 LYS HB2 . . 3.680 1.945 1.814 2.113 . 0 0 "[ . 1 . 2]" 1
486 1 78 ALA MB 1 116 LYS HB3 . . 3.890 3.156 3.002 3.359 . 0 0 "[ . 1 . 2]" 1
487 1 79 ILE H 1 79 ILE HB . . 3.510 2.492 2.403 2.704 . 0 0 "[ . 1 . 2]" 1
488 1 79 ILE H 1 79 ILE MD . . 4.210 2.983 2.120 4.060 . 0 0 "[ . 1 . 2]" 1
489 1 79 ILE H 1 79 ILE HG12 . . 4.530 4.151 3.826 4.330 . 0 0 "[ . 1 . 2]" 1
490 1 79 ILE H 1 79 ILE QG . . 3.970 3.120 2.613 3.517 . 0 0 "[ . 1 . 2]" 1
491 1 79 ILE H 1 79 ILE HG13 . . 4.530 3.241 2.655 3.722 . 0 0 "[ . 1 . 2]" 1
492 1 79 ILE H 1 79 ILE MG . . 4.160 3.785 3.750 3.866 . 0 0 "[ . 1 . 2]" 1
493 1 79 ILE HA 1 79 ILE MD . . 3.960 3.522 3.183 3.869 . 0 0 "[ . 1 . 2]" 1
494 1 79 ILE HA 1 79 ILE MG . . 3.350 2.461 2.426 2.502 . 0 0 "[ . 1 . 2]" 1
495 1 79 ILE HA 1 80 ALA H . . 2.940 2.191 2.161 2.235 . 0 0 "[ . 1 . 2]" 1
496 1 79 ILE HA 1 80 ALA MB . . 4.140 4.009 3.951 4.051 . 0 0 "[ . 1 . 2]" 1
497 1 79 ILE HA 1 115 VAL HA . . 3.960 2.230 2.098 2.395 . 0 0 "[ . 1 . 2]" 1
498 1 79 ILE HB 1 79 ILE MD . . 3.320 2.344 2.266 2.482 . 0 0 "[ . 1 . 2]" 1
499 1 79 ILE HB 1 80 ALA H . . 4.510 4.210 4.021 4.334 . 0 0 "[ . 1 . 2]" 1
500 1 79 ILE HB 1 89 ILE MG . . 4.070 3.902 3.589 4.153 0.083 19 0 "[ . 1 . 2]" 1
501 1 79 ILE HB 1 101 VAL MG1 . . 4.820 3.622 3.029 4.130 . 0 0 "[ . 1 . 2]" 1
502 1 79 ILE MD 1 80 ALA H . . 5.230 5.073 4.924 5.283 0.053 14 0 "[ . 1 . 2]" 1
503 1 79 ILE MD 1 91 PHE QD . . 4.060 3.494 2.703 4.160 0.100 10 0 "[ . 1 . 2]" 1
504 1 79 ILE MD 1 91 PHE QE . . 4.180 3.467 2.102 4.214 0.034 7 0 "[ . 1 . 2]" 1
505 1 79 ILE MD 1 101 VAL MG1 . . 3.650 2.928 2.007 3.640 . 0 0 "[ . 1 . 2]" 1
506 1 79 ILE MD 1 101 VAL MG2 . . 3.410 2.299 1.834 3.486 0.076 18 0 "[ . 1 . 2]" 1
507 1 79 ILE QG 1 79 ILE MG . . 3.070 2.191 2.082 2.359 . 0 0 "[ . 1 . 2]" 1
508 1 79 ILE QG 1 101 VAL MG2 . . 5.220 3.249 2.054 4.083 . 0 0 "[ . 1 . 2]" 1
509 1 79 ILE QG 1 113 VAL MG1 . . 4.270 3.608 3.300 3.783 . 0 0 "[ . 1 . 2]" 1
510 1 79 ILE QG 1 115 VAL HA . . 4.400 3.009 2.381 3.440 . 0 0 "[ . 1 . 2]" 1
511 1 79 ILE QG 1 115 VAL MG2 . . 3.820 4.090 3.965 4.188 0.368 4 0 "[ . 1 . 2]" 1
512 1 79 ILE QG 1 116 LYS H . . 4.920 3.531 3.040 3.952 . 0 0 "[ . 1 . 2]" 1
513 1 79 ILE HG12 1 79 ILE MG . . 3.540 2.272 2.176 2.428 . 0 0 "[ . 1 . 2]" 1
514 1 79 ILE HG12 1 115 VAL MG1 . . 3.920 2.239 1.772 2.891 . 0 0 "[ . 1 . 2]" 1
515 1 79 ILE HG13 1 79 ILE MG . . 3.540 2.904 2.617 3.214 . 0 0 "[ . 1 . 2]" 1
516 1 79 ILE HG13 1 115 VAL MG1 . . 3.920 2.491 1.811 3.331 . 0 0 "[ . 1 . 2]" 1
517 1 79 ILE MG 1 80 ALA H . . 3.410 2.714 2.372 2.995 . 0 0 "[ . 1 . 2]" 1
518 1 79 ILE MG 1 80 ALA MB . . 4.550 4.077 3.899 4.235 . 0 0 "[ . 1 . 2]" 1
519 1 79 ILE MG 1 81 VAL MG2 . . 3.470 2.648 2.504 2.822 . 0 0 "[ . 1 . 2]" 1
520 1 79 ILE MG 1 101 VAL MG1 . . 3.460 2.773 2.150 3.329 . 0 0 "[ . 1 . 2]" 1
521 1 79 ILE MG 1 103 TYR QB . . 5.290 4.770 4.597 5.117 . 0 0 "[ . 1 . 2]" 1
522 1 79 ILE MG 1 113 VAL MG1 . . 3.260 1.969 1.892 2.015 . 0 0 "[ . 1 . 2]" 1
523 1 79 ILE MG 1 114 SER H . . 4.660 4.187 3.785 4.647 . 0 0 "[ . 1 . 2]" 1
524 1 80 ALA H 1 80 ALA MB . . 3.420 2.477 2.395 2.552 . 0 0 "[ . 1 . 2]" 1
525 1 80 ALA H 1 113 VAL MG1 . . 4.540 3.493 3.332 3.826 . 0 0 "[ . 1 . 2]" 1
526 1 80 ALA H 1 114 SER H . . 3.840 3.271 3.016 3.519 . 0 0 "[ . 1 . 2]" 1
527 1 80 ALA H 1 114 SER QB . . 4.020 3.945 3.429 4.299 0.279 17 0 "[ . 1 . 2]" 1
528 1 80 ALA HA 1 81 VAL H . . 3.020 2.172 2.149 2.220 . 0 0 "[ . 1 . 2]" 1
529 1 80 ALA HA 1 89 ILE MD . . 3.600 3.586 3.436 3.683 0.083 15 0 "[ . 1 . 2]" 1
530 1 80 ALA MB 1 81 VAL H . . 3.450 3.133 3.010 3.244 . 0 0 "[ . 1 . 2]" 1
531 1 80 ALA MB 1 82 GLU HG2 . . 4.330 3.665 3.169 4.332 0.002 8 0 "[ . 1 . 2]" 1
532 1 80 ALA MB 1 82 GLU QG . . 3.520 2.927 2.505 3.245 . 0 0 "[ . 1 . 2]" 1
533 1 80 ALA MB 1 82 GLU HG3 . . 4.330 3.088 2.625 3.393 . 0 0 "[ . 1 . 2]" 1
534 1 80 ALA MB 1 89 ILE MD . . 4.550 4.617 4.496 4.688 0.138 11 0 "[ . 1 . 2]" 1
535 1 80 ALA MB 1 114 SER H . . 4.180 3.250 3.104 3.437 . 0 0 "[ . 1 . 2]" 1
536 1 80 ALA MB 1 114 SER HB2 . . 3.990 3.329 2.515 3.781 . 0 0 "[ . 1 . 2]" 1
537 1 80 ALA MB 1 114 SER QB . . 3.360 3.110 2.490 3.480 0.120 14 0 "[ . 1 . 2]" 1
538 1 80 ALA MB 1 114 SER HB3 . . 3.990 3.985 2.683 4.113 0.123 19 0 "[ . 1 . 2]" 1
539 1 81 VAL H 1 81 VAL HB . . 3.370 2.557 2.497 2.621 . 0 0 "[ . 1 . 2]" 1
540 1 81 VAL H 1 81 VAL MG1 . . 4.400 3.818 3.792 3.856 . 0 0 "[ . 1 . 2]" 1
541 1 81 VAL H 1 81 VAL MG2 . . 3.400 2.497 2.324 2.625 . 0 0 "[ . 1 . 2]" 1
542 1 81 VAL H 1 82 GLU H . . 4.760 4.262 4.093 4.515 . 0 0 "[ . 1 . 2]" 1
543 1 81 VAL H 1 87 ALA MB . . 5.110 4.780 4.325 5.264 0.154 8 0 "[ . 1 . 2]" 1
544 1 81 VAL H 1 89 ILE MD . . 3.460 2.739 2.491 2.902 . 0 0 "[ . 1 . 2]" 1
545 1 81 VAL H 1 89 ILE HG12 . . 5.500 5.091 4.819 5.296 . 0 0 "[ . 1 . 2]" 1
546 1 81 VAL H 1 89 ILE MG . . 5.390 5.208 4.867 5.475 0.085 12 0 "[ . 1 . 2]" 1
547 1 81 VAL HA 1 82 GLU QG . . 5.230 3.699 3.427 3.970 . 0 0 "[ . 1 . 2]" 1
548 1 81 VAL HA 1 113 VAL MG2 . . 4.200 2.966 2.768 3.127 . 0 0 "[ . 1 . 2]" 1
549 1 81 VAL HB 1 82 GLU H . . 4.900 4.311 4.082 4.417 . 0 0 "[ . 1 . 2]" 1
550 1 81 VAL HB 1 87 ALA MB . . 3.310 2.662 2.304 3.063 . 0 0 "[ . 1 . 2]" 1
551 1 81 VAL HB 1 89 ILE MD . . 3.210 2.385 2.017 2.804 . 0 0 "[ . 1 . 2]" 1
552 1 81 VAL HB 1 89 ILE HG12 . . 4.430 3.943 3.448 4.279 . 0 0 "[ . 1 . 2]" 1
553 1 81 VAL HB 1 113 VAL MG2 . . 4.560 4.552 4.290 4.654 0.094 13 0 "[ . 1 . 2]" 1
554 1 81 VAL MG1 1 82 GLU H . . 3.540 3.010 2.492 3.377 . 0 0 "[ . 1 . 2]" 1
555 1 81 VAL MG1 1 83 GLY H . . 4.730 4.111 3.915 4.684 . 0 0 "[ . 1 . 2]" 1
556 1 81 VAL MG1 1 87 ALA H . . 4.460 4.309 3.902 4.718 0.258 8 0 "[ . 1 . 2]" 1
557 1 81 VAL MG1 1 87 ALA MB . . 3.040 2.098 1.983 2.373 . 0 0 "[ . 1 . 2]" 1
558 1 81 VAL MG1 1 103 TYR QD . . 3.970 3.156 2.788 3.470 . 0 0 "[ . 1 . 2]" 1
559 1 81 VAL MG1 1 103 TYR QE . . 4.490 3.383 2.726 3.847 . 0 0 "[ . 1 . 2]" 1
560 1 81 VAL MG1 1 111 TYR HB2 . . 4.110 3.846 3.326 4.226 0.116 15 0 "[ . 1 . 2]" 1
561 1 81 VAL MG1 1 111 TYR HB3 . . 3.770 2.548 2.130 2.886 . 0 0 "[ . 1 . 2]" 1
562 1 81 VAL MG1 1 111 TYR QD . . 3.470 2.321 1.854 3.525 0.055 19 0 "[ . 1 . 2]" 1
563 1 81 VAL MG1 1 111 TYR QE . . 4.370 3.652 3.221 4.508 0.138 8 0 "[ . 1 . 2]" 1
564 1 81 VAL MG1 1 112 GLU H . . 4.350 4.147 3.824 4.363 0.013 17 0 "[ . 1 . 2]" 1
565 1 81 VAL MG1 1 113 VAL MG2 . . 3.270 2.488 2.261 2.698 . 0 0 "[ . 1 . 2]" 1
566 1 81 VAL MG2 1 82 GLU H . . 4.360 4.158 3.998 4.292 . 0 0 "[ . 1 . 2]" 1
567 1 81 VAL MG2 1 87 ALA MB . . 3.740 2.893 2.492 3.255 . 0 0 "[ . 1 . 2]" 1
568 1 81 VAL MG2 1 89 ILE MD . . 3.220 1.989 1.898 2.220 . 0 0 "[ . 1 . 2]" 1
569 1 81 VAL MG2 1 89 ILE HG12 . . 3.680 2.485 2.292 2.640 . 0 0 "[ . 1 . 2]" 1
570 1 81 VAL MG2 1 89 ILE HG13 . . 4.550 3.427 3.221 3.635 . 0 0 "[ . 1 . 2]" 1
571 1 81 VAL MG2 1 103 TYR HA . . 4.820 5.026 4.925 5.200 0.380 13 0 "[ . 1 . 2]" 1
572 1 81 VAL MG2 1 103 TYR QB . . 3.940 2.799 2.668 3.026 . 0 0 "[ . 1 . 2]" 1
573 1 81 VAL MG2 1 103 TYR QD . . 4.110 3.336 3.128 3.514 . 0 0 "[ . 1 . 2]" 1
574 1 81 VAL MG2 1 103 TYR QE . . 5.040 3.980 3.661 4.251 . 0 0 "[ . 1 . 2]" 1
575 1 81 VAL MG2 1 111 TYR QD . . 5.500 4.784 4.408 5.602 0.102 8 0 "[ . 1 . 2]" 1
576 1 81 VAL MG2 1 113 VAL HA . . 3.330 3.268 3.085 3.403 0.073 19 0 "[ . 1 . 2]" 1
577 1 81 VAL MG2 1 113 VAL MG1 . . 3.110 2.309 2.090 2.622 . 0 0 "[ . 1 . 2]" 1
578 1 81 VAL MG2 1 113 VAL MG2 . . 3.100 2.233 2.023 2.398 . 0 0 "[ . 1 . 2]" 1
579 1 81 VAL MG2 1 114 SER H . . 4.590 4.621 4.460 4.745 0.155 8 0 "[ . 1 . 2]" 1
580 1 82 GLU H 1 82 GLU HB2 . . 3.970 2.548 2.398 2.672 . 0 0 "[ . 1 . 2]" 1
581 1 82 GLU H 1 82 GLU QB . . 3.300 2.504 2.366 2.621 . 0 0 "[ . 1 . 2]" 1
582 1 82 GLU H 1 82 GLU HB3 . . 3.970 3.687 3.613 3.796 . 0 0 "[ . 1 . 2]" 1
583 1 82 GLU H 1 82 GLU HG2 . . 4.310 3.779 3.456 4.180 . 0 0 "[ . 1 . 2]" 1
584 1 82 GLU H 1 82 GLU HG3 . . 4.310 2.598 2.352 3.095 . 0 0 "[ . 1 . 2]" 1
585 1 82 GLU H 1 83 GLY H . . 4.600 4.373 4.277 4.568 . 0 0 "[ . 1 . 2]" 1
586 1 82 GLU H 1 112 GLU H . . 3.830 3.292 2.895 3.569 . 0 0 "[ . 1 . 2]" 1
587 1 82 GLU H 1 112 GLU HB2 . . 5.210 5.050 4.591 5.253 0.043 17 0 "[ . 1 . 2]" 1
588 1 82 GLU H 1 112 GLU HB3 . . 4.450 3.769 3.351 4.153 . 0 0 "[ . 1 . 2]" 1
589 1 82 GLU H 1 113 VAL HA . . 3.490 3.199 2.944 3.496 0.006 8 0 "[ . 1 . 2]" 1
590 1 82 GLU H 1 114 SER H . . 5.080 3.870 3.460 4.524 . 0 0 "[ . 1 . 2]" 1
591 1 82 GLU HA 1 82 GLU HG2 . . 3.940 2.598 2.439 2.738 . 0 0 "[ . 1 . 2]" 1
592 1 82 GLU HA 1 82 GLU HG3 . . 3.940 3.048 2.896 3.218 . 0 0 "[ . 1 . 2]" 1
593 1 82 GLU HA 1 83 GLY H . . 2.690 2.162 2.111 2.216 . 0 0 "[ . 1 . 2]" 1
594 1 82 GLU QB 1 82 GLU QG . . 2.330 2.079 2.072 2.086 . 0 0 "[ . 1 . 2]" 1
595 1 82 GLU QB 1 83 GLY H . . 3.320 3.272 3.144 3.353 0.033 11 0 "[ . 1 . 2]" 1
596 1 82 GLU QG 1 83 GLY H . . 4.220 4.229 4.108 4.317 0.097 1 0 "[ . 1 . 2]" 1
597 1 82 GLU HG2 1 83 GLY H . . 4.990 4.520 4.340 4.680 . 0 0 "[ . 1 . 2]" 1
598 1 82 GLU HG3 1 83 GLY H . . 4.990 5.097 5.019 5.175 0.185 13 0 "[ . 1 . 2]" 1
599 1 83 GLY H 1 84 PRO QD . . 5.000 4.328 4.299 4.368 . 0 0 "[ . 1 . 2]" 1
600 1 83 GLY H 1 85 SER H . . 4.270 4.462 4.313 4.621 0.351 15 0 "[ . 1 . 2]" 1
601 1 83 GLY H 1 111 TYR QD . . 4.410 4.018 3.537 4.381 . 0 0 "[ . 1 . 2]" 1
602 1 84 PRO QB 1 85 SER H . . 3.590 3.253 2.685 3.592 0.002 2 0 "[ . 1 . 2]" 1
603 1 84 PRO HB2 1 85 SER H . . 4.430 3.381 2.725 3.792 . 0 0 "[ . 1 . 2]" 1
604 1 84 PRO HB3 1 85 SER H . . 4.430 4.296 4.046 4.448 0.018 2 0 "[ . 1 . 2]" 1
605 1 84 PRO QD 1 85 SER H . . 3.600 2.709 2.307 3.117 . 0 0 "[ . 1 . 2]" 1
606 1 84 PRO QD 1 111 TYR HA . . 4.270 3.549 3.244 3.912 . 0 0 "[ . 1 . 2]" 1
607 1 84 PRO QD 1 111 TYR QE . . 4.100 2.678 2.015 3.008 . 0 0 "[ . 1 . 2]" 1
608 1 84 PRO HD2 1 85 SER H . . 4.250 2.763 2.333 3.203 . 0 0 "[ . 1 . 2]" 1
609 1 84 PRO HD2 1 110 ASP H . . 4.480 4.469 4.274 4.617 0.137 20 0 "[ . 1 . 2]" 1
610 1 84 PRO HD2 1 111 TYR HA . . 4.870 4.068 3.432 4.721 . 0 0 "[ . 1 . 2]" 1
611 1 84 PRO HD2 1 111 TYR QE . . 4.950 2.722 2.022 3.070 . 0 0 "[ . 1 . 2]" 1
612 1 84 PRO HD3 1 85 SER H . . 4.250 3.941 3.630 4.275 0.025 17 0 "[ . 1 . 2]" 1
613 1 84 PRO HD3 1 110 ASP H . . 4.480 4.038 3.570 4.636 0.156 20 0 "[ . 1 . 2]" 1
614 1 84 PRO HD3 1 111 TYR HA . . 4.870 4.042 3.420 4.908 0.038 8 0 "[ . 1 . 2]" 1
615 1 84 PRO HD3 1 111 TYR QE . . 4.950 4.027 3.612 4.322 . 0 0 "[ . 1 . 2]" 1
616 1 84 PRO HG2 1 85 SER H . . 3.810 3.306 2.588 3.981 0.171 6 0 "[ . 1 . 2]" 1
617 1 84 PRO HG2 1 110 ASP H . . 4.790 4.393 3.453 4.879 0.089 9 0 "[ . 1 . 2]" 1
618 1 84 PRO HG2 1 111 TYR QE . . 4.330 3.345 2.751 4.156 . 0 0 "[ . 1 . 2]" 1
619 1 84 PRO HG2 1 111 TYR HH . . 4.480 3.625 2.668 4.402 . 0 0 "[ . 1 . 2]" 1
620 1 84 PRO HG3 1 85 SER H . . 5.010 4.403 4.086 4.700 . 0 0 "[ . 1 . 2]" 1
621 1 84 PRO HG3 1 110 ASP H . . 4.050 3.753 3.282 4.084 0.034 8 0 "[ . 1 . 2]" 1
622 1 84 PRO HG3 1 111 TYR QE . . 4.960 4.401 3.510 4.990 0.030 12 0 "[ . 1 . 2]" 1
623 1 85 SER H 1 85 SER HB2 . . 3.970 3.425 2.841 3.939 . 0 0 "[ . 1 . 2]" 1
624 1 85 SER H 1 85 SER QB . . 3.410 2.850 2.600 3.118 . 0 0 "[ . 1 . 2]" 1
625 1 85 SER H 1 85 SER HB3 . . 3.970 3.124 2.745 3.903 . 0 0 "[ . 1 . 2]" 1
626 1 85 SER H 1 86 LYS H . . 5.140 4.400 4.309 4.460 . 0 0 "[ . 1 . 2]" 1
627 1 85 SER H 1 111 TYR QE . . 3.580 2.640 1.860 3.250 . 0 0 "[ . 1 . 2]" 1
628 1 85 SER H 1 111 TYR HH . . 4.000 3.600 3.098 4.138 0.138 19 0 "[ . 1 . 2]" 1
629 1 85 SER HA 1 86 LYS H . . 3.260 2.528 2.325 2.797 . 0 0 "[ . 1 . 2]" 1
630 1 85 SER QB 1 86 LYS H . . 3.290 2.674 1.925 3.312 0.022 2 0 "[ . 1 . 2]" 1
631 1 85 SER QB 1 86 LYS QB . . 5.010 4.298 3.687 4.952 . 0 0 "[ . 1 . 2]" 1
632 1 85 SER QB 1 106 GLN HB2 . . 4.470 3.359 2.035 4.385 . 0 0 "[ . 1 . 2]" 1
633 1 85 SER QB 1 107 GLU H . . 3.760 3.074 2.495 3.629 . 0 0 "[ . 1 . 2]" 1
634 1 85 SER QB 1 107 GLU HB2 . . 3.540 2.095 1.884 2.635 . 0 0 "[ . 1 . 2]" 1
635 1 85 SER QB 1 107 GLU HB3 . . 4.000 3.507 3.260 4.039 0.039 8 0 "[ . 1 . 2]" 1
636 1 85 SER QB 1 107 GLU QG . . 3.320 2.735 2.224 3.028 . 0 0 "[ . 1 . 2]" 1
637 1 85 SER HB2 1 86 LYS H . . 3.920 3.132 1.934 3.818 . 0 0 "[ . 1 . 2]" 1
638 1 85 SER HB2 1 107 GLU H . . 4.280 3.937 3.356 4.310 0.030 2 0 "[ . 1 . 2]" 1
639 1 85 SER HB2 1 107 GLU HB2 . . 4.200 2.613 1.964 3.726 . 0 0 "[ . 1 . 2]" 1
640 1 85 SER HB2 1 107 GLU HG2 . . 4.510 4.330 3.004 4.797 0.287 13 0 "[ . 1 . 2]" 1
641 1 85 SER HB2 1 107 GLU HG3 . . 4.510 3.249 2.818 4.215 . 0 0 "[ . 1 . 2]" 1
642 1 85 SER HB3 1 86 LYS H . . 3.920 3.313 2.104 3.779 . 0 0 "[ . 1 . 2]" 1
643 1 85 SER HB3 1 107 GLU H . . 4.280 3.340 2.530 4.338 0.058 19 0 "[ . 1 . 2]" 1
644 1 85 SER HB3 1 107 GLU HB2 . . 4.200 2.363 2.145 3.186 . 0 0 "[ . 1 . 2]" 1
645 1 85 SER HB3 1 107 GLU HG2 . . 4.510 4.388 2.971 4.832 0.322 2 0 "[ . 1 . 2]" 1
646 1 85 SER HB3 1 107 GLU HG3 . . 4.510 3.207 2.356 4.394 . 0 0 "[ . 1 . 2]" 1
647 1 86 LYS H 1 86 LYS QB . . 3.130 2.292 2.189 2.614 . 0 0 "[ . 1 . 2]" 1
648 1 86 LYS H 1 86 LYS QG . . 4.940 3.818 2.151 4.051 . 0 0 "[ . 1 . 2]" 1
649 1 86 LYS H 1 87 ALA H . . 4.690 4.560 4.497 4.651 . 0 0 "[ . 1 . 2]" 1
650 1 86 LYS HA 1 86 LYS QD . . 4.420 4.082 3.186 4.259 . 0 0 "[ . 1 . 2]" 1
651 1 86 LYS HA 1 86 LYS HG2 . . 4.200 3.022 2.392 3.803 . 0 0 "[ . 1 . 2]" 1
652 1 86 LYS HA 1 86 LYS QG . . 3.660 2.497 2.345 3.343 . 0 0 "[ . 1 . 2]" 1
653 1 86 LYS HA 1 86 LYS HG3 . . 4.200 2.737 2.455 3.705 . 0 0 "[ . 1 . 2]" 1
654 1 86 LYS HA 1 87 ALA H . . 2.760 2.206 2.098 2.397 . 0 0 "[ . 1 . 2]" 1
655 1 86 LYS HA 1 87 ALA MB . . 4.250 3.897 3.765 3.998 . 0 0 "[ . 1 . 2]" 1
656 1 86 LYS QB 1 87 ALA H . . 3.980 3.446 2.460 3.731 . 0 0 "[ . 1 . 2]" 1
657 1 86 LYS QD 1 87 ALA H . . 4.950 4.285 2.685 4.825 . 0 0 "[ . 1 . 2]" 1
658 1 86 LYS QG 1 87 ALA H . . 3.980 2.502 2.069 3.643 . 0 0 "[ . 1 . 2]" 1
659 1 86 LYS HG2 1 87 ALA H . . 4.560 2.732 2.133 4.681 0.121 20 0 "[ . 1 . 2]" 1
660 1 86 LYS HG3 1 87 ALA H . . 4.560 3.082 2.566 4.704 0.144 4 0 "[ . 1 . 2]" 1
661 1 87 ALA H 1 87 ALA MB . . 3.130 2.397 2.303 2.579 . 0 0 "[ . 1 . 2]" 1
662 1 87 ALA H 1 88 GLU H . . 4.670 4.412 4.225 4.508 . 0 0 "[ . 1 . 2]" 1
663 1 87 ALA HA 1 88 GLU H . . 2.850 2.227 2.154 2.355 . 0 0 "[ . 1 . 2]" 1
664 1 87 ALA HA 1 88 GLU HB2 . . 5.130 4.288 4.198 4.388 . 0 0 "[ . 1 . 2]" 1
665 1 87 ALA HA 1 88 GLU QB . . 4.420 4.039 3.981 4.096 . 0 0 "[ . 1 . 2]" 1
666 1 87 ALA HA 1 88 GLU HB3 . . 5.130 4.938 4.840 5.032 . 0 0 "[ . 1 . 2]" 1
667 1 87 ALA HA 1 104 VAL H . . 4.710 4.222 3.920 4.556 . 0 0 "[ . 1 . 2]" 1
668 1 87 ALA HA 1 106 GLN H . . 4.150 3.570 2.901 3.907 . 0 0 "[ . 1 . 2]" 1
669 1 87 ALA MB 1 88 GLU H . . 3.360 2.901 2.605 3.136 . 0 0 "[ . 1 . 2]" 1
670 1 87 ALA MB 1 89 ILE MD . . 3.870 3.239 2.789 3.680 . 0 0 "[ . 1 . 2]" 1
671 1 87 ALA MB 1 103 TYR HA . . 5.050 4.189 3.885 4.684 . 0 0 "[ . 1 . 2]" 1
672 1 87 ALA MB 1 103 TYR QB . . 3.590 2.460 2.087 3.124 . 0 0 "[ . 1 . 2]" 1
673 1 87 ALA MB 1 103 TYR QD . . 3.660 2.253 1.952 2.655 . 0 0 "[ . 1 . 2]" 1
674 1 87 ALA MB 1 103 TYR QE . . 4.860 3.743 3.225 4.225 . 0 0 "[ . 1 . 2]" 1
675 1 87 ALA MB 1 104 VAL H . . 4.120 3.655 3.382 3.925 . 0 0 "[ . 1 . 2]" 1
676 1 87 ALA MB 1 105 VAL HA . . 3.650 3.160 2.457 3.402 . 0 0 "[ . 1 . 2]" 1
677 1 87 ALA MB 1 106 GLN H . . 5.500 4.500 3.802 4.856 . 0 0 "[ . 1 . 2]" 1
678 1 87 ALA MB 1 111 TYR QD . . 4.460 3.589 2.797 4.453 . 0 0 "[ . 1 . 2]" 1
679 1 87 ALA MB 1 111 TYR QE . . 4.260 3.406 2.505 4.393 0.133 8 0 "[ . 1 . 2]" 1
680 1 88 GLU H 1 88 GLU HB2 . . 3.500 2.505 2.299 2.695 . 0 0 "[ . 1 . 2]" 1
681 1 88 GLU H 1 88 GLU QB . . 3.020 2.318 2.185 2.414 . 0 0 "[ . 1 . 2]" 1
682 1 88 GLU H 1 88 GLU HB3 . . 3.500 2.750 2.601 2.846 . 0 0 "[ . 1 . 2]" 1
683 1 88 GLU H 1 88 GLU HG2 . . 4.670 4.588 4.529 4.674 0.004 12 0 "[ . 1 . 2]" 1
684 1 88 GLU H 1 88 GLU QG . . 4.110 4.011 3.935 4.078 . 0 0 "[ . 1 . 2]" 1
685 1 88 GLU H 1 88 GLU HG3 . . 4.670 4.429 4.298 4.533 . 0 0 "[ . 1 . 2]" 1
686 1 88 GLU H 1 89 ILE H . . 4.900 4.135 4.012 4.229 . 0 0 "[ . 1 . 2]" 1
687 1 88 GLU H 1 103 TYR HA . . 4.830 4.023 3.649 4.378 . 0 0 "[ . 1 . 2]" 1
688 1 88 GLU H 1 104 VAL HB . . 3.960 4.202 4.117 4.302 0.342 12 0 "[ . 1 . 2]" 1
689 1 88 GLU H 1 104 VAL MG2 . . 4.520 1.820 1.570 2.459 . 0 0 "[ . 1 . 2]" 1
690 1 88 GLU HA 1 88 GLU HG2 . . 3.990 2.966 2.825 3.209 . 0 0 "[ . 1 . 2]" 1
691 1 88 GLU HA 1 88 GLU QG . . 3.420 2.281 2.184 2.384 . 0 0 "[ . 1 . 2]" 1
692 1 88 GLU HA 1 88 GLU HG3 . . 3.990 2.377 2.240 2.528 . 0 0 "[ . 1 . 2]" 1
693 1 88 GLU HA 1 89 ILE H . . 2.930 2.135 2.104 2.175 . 0 0 "[ . 1 . 2]" 1
694 1 88 GLU HA 1 89 ILE HB . . 4.570 4.672 4.620 4.742 0.172 17 0 "[ . 1 . 2]" 1
695 1 88 GLU HA 1 89 ILE HG13 . . 4.690 3.853 3.607 4.089 . 0 0 "[ . 1 . 2]" 1
696 1 88 GLU QB 1 89 ILE H . . 3.850 3.889 3.820 3.939 0.089 8 0 "[ . 1 . 2]" 1
697 1 88 GLU QB 1 104 VAL HB . . 3.610 3.821 3.716 3.922 0.312 16 0 "[ . 1 . 2]" 1
698 1 88 GLU QB 1 104 VAL MG1 . . 3.680 2.450 1.931 3.784 0.104 13 0 "[ . 1 . 2]" 1
699 1 88 GLU QB 1 104 VAL MG2 . . 3.880 1.710 1.628 1.824 . 0 0 "[ . 1 . 2]" 1
700 1 88 GLU HB2 1 89 ILE H . . 4.480 4.550 4.517 4.579 0.099 19 0 "[ . 1 . 2]" 1
701 1 88 GLU HB2 1 104 VAL H . . 4.420 3.664 3.426 4.072 . 0 0 "[ . 1 . 2]" 1
702 1 88 GLU HB2 1 104 VAL HB . . 4.120 4.473 4.415 4.559 0.439 16 0 "[ . 1 . 2]" 1
703 1 88 GLU HB2 1 104 VAL MG2 . . 4.670 1.895 1.773 2.222 . 0 0 "[ . 1 . 2]" 1
704 1 88 GLU HB3 1 89 ILE H . . 4.480 4.223 4.121 4.311 . 0 0 "[ . 1 . 2]" 1
705 1 88 GLU HB3 1 104 VAL H . . 4.420 2.559 2.146 2.944 . 0 0 "[ . 1 . 2]" 1
706 1 88 GLU HB3 1 104 VAL HB . . 4.120 4.150 3.974 4.277 0.157 12 0 "[ . 1 . 2]" 1
707 1 88 GLU HB3 1 104 VAL MG2 . . 4.670 2.049 1.710 2.348 . 0 0 "[ . 1 . 2]" 1
708 1 88 GLU QG 1 89 ILE H . . 4.020 3.441 3.232 3.586 . 0 0 "[ . 1 . 2]" 1
709 1 88 GLU QG 1 89 ILE HA . . 5.340 4.621 4.409 4.775 . 0 0 "[ . 1 . 2]" 1
710 1 88 GLU HG2 1 89 ILE H . . 4.620 3.833 3.610 4.146 . 0 0 "[ . 1 . 2]" 1
711 1 88 GLU HG3 1 89 ILE H . . 4.620 3.922 3.639 4.168 . 0 0 "[ . 1 . 2]" 1
712 1 89 ILE H 1 89 ILE HB . . 3.320 2.554 2.480 2.628 . 0 0 "[ . 1 . 2]" 1
713 1 89 ILE H 1 89 ILE MD . . 4.100 3.733 3.600 3.828 . 0 0 "[ . 1 . 2]" 1
714 1 89 ILE H 1 89 ILE HG12 . . 4.730 3.556 3.414 3.658 . 0 0 "[ . 1 . 2]" 1
715 1 89 ILE H 1 89 ILE HG13 . . 3.600 2.348 2.146 2.480 . 0 0 "[ . 1 . 2]" 1
716 1 89 ILE H 1 89 ILE MG . . 4.150 3.799 3.779 3.823 . 0 0 "[ . 1 . 2]" 1
717 1 89 ILE HA 1 89 ILE HG13 . . 4.210 3.101 3.044 3.164 . 0 0 "[ . 1 . 2]" 1
718 1 89 ILE HA 1 89 ILE MG . . 3.510 2.342 2.282 2.417 . 0 0 "[ . 1 . 2]" 1
719 1 89 ILE HA 1 90 SER H . . 3.350 2.136 2.105 2.190 . 0 0 "[ . 1 . 2]" 1
720 1 89 ILE HA 1 102 ALA H . . 4.890 4.712 4.530 4.900 0.010 2 0 "[ . 1 . 2]" 1
721 1 89 ILE HA 1 103 TYR HA . . 3.690 2.463 2.262 2.856 . 0 0 "[ . 1 . 2]" 1
722 1 89 ILE HA 1 103 TYR QB . . 4.440 2.566 2.314 2.693 . 0 0 "[ . 1 . 2]" 1
723 1 89 ILE HA 1 104 VAL H . . 4.340 3.915 3.749 4.301 . 0 0 "[ . 1 . 2]" 1
724 1 89 ILE HB 1 89 ILE MD . . 3.400 2.421 2.389 2.455 . 0 0 "[ . 1 . 2]" 1
725 1 89 ILE HB 1 90 SER H . . 4.680 4.102 3.841 4.317 . 0 0 "[ . 1 . 2]" 1
726 1 89 ILE MD 1 89 ILE MG . . 2.960 1.909 1.866 1.958 . 0 0 "[ . 1 . 2]" 1
727 1 89 ILE MD 1 103 TYR QB . . 4.090 3.585 3.220 4.015 . 0 0 "[ . 1 . 2]" 1
728 1 89 ILE HG12 1 103 TYR HA . . 5.150 3.922 3.515 4.381 . 0 0 "[ . 1 . 2]" 1
729 1 89 ILE HG12 1 103 TYR QB . . 4.170 2.262 1.935 2.738 . 0 0 "[ . 1 . 2]" 1
730 1 89 ILE HG13 1 103 TYR QB . . 4.410 3.260 3.018 3.602 . 0 0 "[ . 1 . 2]" 1
731 1 89 ILE MG 1 90 SER H . . 3.560 2.634 2.315 3.115 . 0 0 "[ . 1 . 2]" 1
732 1 89 ILE MG 1 91 PHE H . . 4.530 4.167 3.698 4.542 0.012 17 0 "[ . 1 . 2]" 1
733 1 89 ILE MG 1 91 PHE QB . . 4.420 3.578 2.843 4.216 . 0 0 "[ . 1 . 2]" 1
734 1 89 ILE MG 1 101 VAL MG1 . . 3.240 2.316 2.093 2.827 . 0 0 "[ . 1 . 2]" 1
735 1 89 ILE MG 1 102 ALA H . . 4.210 3.995 3.624 4.272 0.062 8 0 "[ . 1 . 2]" 1
736 1 89 ILE MG 1 103 TYR HA . . 4.590 4.111 3.784 4.623 0.033 8 0 "[ . 1 . 2]" 1
737 1 89 ILE MG 1 103 TYR QB . . 4.090 2.886 2.354 3.381 . 0 0 "[ . 1 . 2]" 1
738 1 90 SER H 1 102 ALA H . . 3.810 3.130 2.911 3.552 . 0 0 "[ . 1 . 2]" 1
739 1 90 SER H 1 103 TYR HA . . 4.240 3.449 3.048 3.740 . 0 0 "[ . 1 . 2]" 1
740 1 90 SER H 1 103 TYR QB . . 4.720 3.820 3.557 4.026 . 0 0 "[ . 1 . 2]" 1
741 1 90 SER HA 1 90 SER HG . . 3.300 3.058 2.420 3.569 0.269 8 0 "[ . 1 . 2]" 1
742 1 90 SER HA 1 91 PHE H . . 2.750 2.162 2.053 2.294 . 0 0 "[ . 1 . 2]" 1
743 1 90 SER HA 1 91 PHE QB . . 4.690 3.977 3.880 4.068 . 0 0 "[ . 1 . 2]" 1
744 1 91 PHE H 1 91 PHE HB2 . . 3.910 2.983 2.725 3.366 . 0 0 "[ . 1 . 2]" 1
745 1 91 PHE H 1 91 PHE QB . . 3.430 2.513 2.367 2.767 . 0 0 "[ . 1 . 2]" 1
746 1 91 PHE H 1 91 PHE HB3 . . 3.910 2.710 2.522 2.942 . 0 0 "[ . 1 . 2]" 1
747 1 91 PHE HA 1 92 GLU H . . 3.290 2.154 2.113 2.188 . 0 0 "[ . 1 . 2]" 1
748 1 91 PHE HA 1 101 VAL HA . . 4.790 2.828 2.404 3.759 . 0 0 "[ . 1 . 2]" 1
749 1 91 PHE HA 1 101 VAL MG2 . . 4.610 3.424 2.367 4.511 . 0 0 "[ . 1 . 2]" 1
750 1 91 PHE HA 1 102 ALA H . . 4.490 3.628 3.292 4.001 . 0 0 "[ . 1 . 2]" 1
751 1 91 PHE QB 1 92 GLU H . . 4.150 3.852 3.662 3.951 . 0 0 "[ . 1 . 2]" 1
752 1 91 PHE HB2 1 92 GLU H . . 4.710 4.404 4.186 4.511 . 0 0 "[ . 1 . 2]" 1
753 1 91 PHE HB3 1 92 GLU H . . 4.710 4.255 3.982 4.395 . 0 0 "[ . 1 . 2]" 1
754 1 91 PHE QD 1 101 VAL MG2 . . 3.940 2.166 1.870 2.681 . 0 0 "[ . 1 . 2]" 1
755 1 91 PHE QE 1 93 ASP HB2 . . 5.010 4.100 2.148 5.133 0.123 19 0 "[ . 1 . 2]" 1
756 1 91 PHE QE 1 93 ASP QB . . 4.350 3.160 2.033 4.435 0.085 16 0 "[ . 1 . 2]" 1
757 1 91 PHE QE 1 93 ASP HB3 . . 5.010 3.459 2.051 5.032 0.022 1 0 "[ . 1 . 2]" 1
758 1 92 GLU H 1 92 GLU QB . . 3.550 2.589 2.317 3.101 . 0 0 "[ . 1 . 2]" 1
759 1 92 GLU H 1 93 ASP H . . 4.580 4.204 3.809 4.413 . 0 0 "[ . 1 . 2]" 1
760 1 92 GLU HA 1 93 ASP H . . 3.110 2.143 2.055 2.243 . 0 0 "[ . 1 . 2]" 1
761 1 93 ASP H 1 93 ASP HB2 . . 3.700 3.424 2.357 3.899 0.199 5 0 "[ . 1 . 2]" 1
762 1 93 ASP H 1 93 ASP QB . . 3.230 2.644 2.259 3.120 . 0 0 "[ . 1 . 2]" 1
763 1 93 ASP H 1 93 ASP HB3 . . 3.700 2.833 2.343 3.588 . 0 0 "[ . 1 . 2]" 1
764 1 94 ARG HA 1 94 ARG HD2 . . 4.940 4.326 3.172 4.891 . 0 0 "[ . 1 . 2]" 1
765 1 95 LYS HA 1 95 LYS HD2 . . 4.760 3.775 1.976 4.859 0.099 9 0 "[ . 1 . 2]" 1
766 1 95 LYS HA 1 95 LYS QD . . 4.040 3.205 1.952 4.178 0.138 5 0 "[ . 1 . 2]" 1
767 1 95 LYS HA 1 95 LYS HD3 . . 4.760 3.685 1.987 4.860 0.100 11 0 "[ . 1 . 2]" 1
768 1 95 LYS HA 1 95 LYS HG2 . . 4.210 2.994 2.479 3.761 . 0 0 "[ . 1 . 2]" 1
769 1 95 LYS HA 1 95 LYS QG . . 3.580 2.616 2.308 2.966 . 0 0 "[ . 1 . 2]" 1
770 1 95 LYS HA 1 95 LYS HG3 . . 4.210 3.114 2.417 3.854 . 0 0 "[ . 1 . 2]" 1
771 1 95 LYS HA 1 96 ASP HA . . 4.840 4.525 4.276 4.888 0.048 9 0 "[ . 1 . 2]" 1
772 1 97 GLY H 1 98 SER H . . 4.210 2.244 1.823 2.738 . 0 0 "[ . 1 . 2]" 1
773 1 100 GLY H 1 101 VAL H . . 5.340 4.236 3.897 4.472 . 0 0 "[ . 1 . 2]" 1
774 1 101 VAL H 1 101 VAL MG2 . . 3.960 2.474 2.115 2.784 . 0 0 "[ . 1 . 2]" 1
775 1 101 VAL HA 1 101 VAL MG1 . . 3.560 2.359 2.309 2.412 . 0 0 "[ . 1 . 2]" 1
776 1 101 VAL HA 1 101 VAL MG2 . . 3.720 2.456 2.382 2.548 . 0 0 "[ . 1 . 2]" 1
777 1 101 VAL HA 1 102 ALA H . . 2.940 2.149 2.114 2.198 . 0 0 "[ . 1 . 2]" 1
778 1 101 VAL HB 1 102 ALA H . . 4.770 4.125 3.970 4.279 . 0 0 "[ . 1 . 2]" 1
779 1 101 VAL MG1 1 102 ALA H . . 3.250 2.711 2.404 3.135 . 0 0 "[ . 1 . 2]" 1
780 1 101 VAL MG1 1 102 ALA HA . . 4.490 3.800 3.601 4.078 . 0 0 "[ . 1 . 2]" 1
781 1 101 VAL MG1 1 103 TYR QD . . 4.150 3.524 2.863 4.174 0.024 12 0 "[ . 1 . 2]" 1
782 1 102 ALA H 1 102 ALA MB . . 3.550 2.432 2.378 2.490 . 0 0 "[ . 1 . 2]" 1
783 1 102 ALA H 1 103 TYR H . . 4.520 4.387 4.205 4.501 . 0 0 "[ . 1 . 2]" 1
784 1 102 ALA HA 1 103 TYR H . . 3.010 2.178 2.110 2.229 . 0 0 "[ . 1 . 2]" 1
785 1 102 ALA MB 1 103 TYR H . . 3.590 3.004 2.818 3.277 . 0 0 "[ . 1 . 2]" 1
786 1 103 TYR H 1 103 TYR QD . . 3.730 2.902 2.595 3.200 . 0 0 "[ . 1 . 2]" 1
787 1 103 TYR H 1 104 VAL H . . 4.630 4.260 4.104 4.336 . 0 0 "[ . 1 . 2]" 1
788 1 103 TYR HA 1 103 TYR QD . . 4.260 3.722 3.665 3.768 . 0 0 "[ . 1 . 2]" 1
789 1 103 TYR HA 1 104 VAL H . . 3.020 2.015 1.985 2.051 . 0 0 "[ . 1 . 2]" 1
790 1 103 TYR HA 1 104 VAL HB . . 4.660 5.397 5.356 5.426 0.766 17 20 [************-***+***] 1
791 1 103 TYR QB 1 104 VAL H . . 3.340 2.894 2.735 3.066 . 0 0 "[ . 1 . 2]" 1
792 1 103 TYR QD 1 104 VAL H . . 4.140 3.622 3.343 3.931 . 0 0 "[ . 1 . 2]" 1
793 1 103 TYR QD 1 104 VAL HA . . 4.520 3.753 3.551 3.869 . 0 0 "[ . 1 . 2]" 1
794 1 103 TYR QD 1 105 VAL H . . 4.370 4.420 3.164 4.538 0.168 1 0 "[ . 1 . 2]" 1
795 1 103 TYR QD 1 113 VAL MG2 . . 4.920 3.997 3.727 4.317 . 0 0 "[ . 1 . 2]" 1
796 1 103 TYR QE 1 104 VAL HA . . 5.500 4.885 4.598 5.156 . 0 0 "[ . 1 . 2]" 1
797 1 103 TYR QE 1 113 VAL MG2 . . 4.100 3.006 2.664 3.716 . 0 0 "[ . 1 . 2]" 1
798 1 103 TYR QE 1 129 VAL MG1 . . 4.430 3.667 3.192 3.983 . 0 0 "[ . 1 . 2]" 1
799 1 103 TYR QE 1 131 VAL MG2 . . 3.900 2.872 2.401 3.323 . 0 0 "[ . 1 . 2]" 1
800 1 103 TYR HH 1 113 VAL MG2 . . 4.640 3.299 2.843 3.688 . 0 0 "[ . 1 . 2]" 1
801 1 103 TYR HH 1 129 VAL MG1 . . 3.600 2.620 2.006 3.273 . 0 0 "[ . 1 . 2]" 1
802 1 103 TYR HH 1 129 VAL MG2 . . 4.300 2.575 1.905 3.179 . 0 0 "[ . 1 . 2]" 1
803 1 104 VAL H 1 104 VAL HB . . 3.430 3.632 3.594 3.666 0.236 8 0 "[ . 1 . 2]" 1
804 1 104 VAL H 1 104 VAL MG1 . . 3.800 2.378 2.116 3.167 . 0 0 "[ . 1 . 2]" 1
805 1 104 VAL H 1 104 VAL MG2 . . 3.980 2.435 2.020 2.685 . 0 0 "[ . 1 . 2]" 1
806 1 104 VAL H 1 105 VAL H . . 4.580 4.289 4.092 4.347 . 0 0 "[ . 1 . 2]" 1
807 1 104 VAL HA 1 104 VAL MG2 . . 3.090 3.137 3.117 3.154 0.064 8 0 "[ . 1 . 2]" 1
808 1 104 VAL HA 1 105 VAL H . . 2.940 2.176 1.779 2.293 . 0 0 "[ . 1 . 2]" 1
809 1 104 VAL HA 1 105 VAL HA . . 4.870 4.241 4.013 4.359 . 0 0 "[ . 1 . 2]" 1
810 1 104 VAL HB 1 105 VAL H . . 5.030 2.281 2.058 2.982 . 0 0 "[ . 1 . 2]" 1
811 1 104 VAL HB 1 105 VAL HA . . 4.160 4.345 3.893 4.489 0.329 10 0 "[ . 1 . 2]" 1
812 1 104 VAL HB 1 106 GLN HA . . 4.320 4.924 4.615 5.081 0.761 19 16 "[* **-******* * **+*]" 1
813 1 104 VAL MG1 1 105 VAL H . . 4.450 3.686 3.327 3.965 . 0 0 "[ . 1 . 2]" 1
814 1 104 VAL MG2 1 105 VAL H . . 3.580 2.847 2.475 3.796 0.216 16 0 "[ . 1 . 2]" 1
815 1 104 VAL MG2 1 106 GLN HE21 . . 4.190 2.473 1.884 2.969 . 0 0 "[ . 1 . 2]" 1
816 1 104 VAL MG2 1 106 GLN HE22 . . 4.190 2.848 2.369 3.620 . 0 0 "[ . 1 . 2]" 1
817 1 104 VAL MG2 1 106 GLN HG2 . . 4.920 3.333 2.692 4.671 . 0 0 "[ . 1 . 2]" 1
818 1 104 VAL MG2 1 106 GLN QG . . 4.180 3.201 2.657 4.008 . 0 0 "[ . 1 . 2]" 1
819 1 104 VAL MG2 1 106 GLN HG3 . . 4.920 4.455 3.646 5.199 0.279 2 0 "[ . 1 . 2]" 1
820 1 105 VAL HA 1 106 GLN H . . 2.920 2.252 2.200 2.424 . 0 0 "[ . 1 . 2]" 1
821 1 105 VAL HA 1 106 GLN HA . . 4.480 4.205 4.168 4.239 . 0 0 "[ . 1 . 2]" 1
822 1 105 VAL HA 1 106 GLN QG . . 4.600 3.830 3.398 4.684 0.084 8 0 "[ . 1 . 2]" 1
823 1 105 VAL HA 1 107 GLU H . . 4.130 3.801 3.577 4.038 . 0 0 "[ . 1 . 2]" 1
824 1 106 GLN H 1 106 GLN HB2 . . 3.260 2.435 2.305 2.569 . 0 0 "[ . 1 . 2]" 1
825 1 106 GLN H 1 106 GLN HB3 . . 3.610 3.629 3.555 3.662 0.052 2 0 "[ . 1 . 2]" 1
826 1 106 GLN H 1 106 GLN HG2 . . 4.010 2.805 2.422 4.125 0.115 8 0 "[ . 1 . 2]" 1
827 1 106 GLN H 1 106 GLN QG . . 3.480 2.730 2.398 3.509 0.029 8 0 "[ . 1 . 2]" 1
828 1 106 GLN H 1 106 GLN HG3 . . 4.010 3.982 3.799 4.143 0.133 7 0 "[ . 1 . 2]" 1
829 1 106 GLN H 1 107 GLU H . . 3.280 2.214 2.045 2.407 . 0 0 "[ . 1 . 2]" 1
830 1 106 GLN HA 1 106 GLN HG2 . . 4.070 3.009 2.704 3.673 . 0 0 "[ . 1 . 2]" 1
831 1 106 GLN HA 1 106 GLN QG . . 3.570 2.834 2.404 3.055 . 0 0 "[ . 1 . 2]" 1
832 1 106 GLN HA 1 106 GLN HG3 . . 4.070 3.635 2.437 3.785 . 0 0 "[ . 1 . 2]" 1
833 1 106 GLN HB2 1 107 GLU H . . 3.330 3.218 2.905 3.401 0.071 14 0 "[ . 1 . 2]" 1
834 1 106 GLN HB2 1 107 GLU QG . . 3.820 2.979 2.619 3.321 . 0 0 "[ . 1 . 2]" 1
835 1 106 GLN HB3 1 107 GLU H . . 4.450 4.016 3.738 4.248 . 0 0 "[ . 1 . 2]" 1
836 1 107 GLU H 1 107 GLU HB2 . . 3.370 2.857 2.623 2.938 . 0 0 "[ . 1 . 2]" 1
837 1 107 GLU H 1 107 GLU HB3 . . 4.120 3.902 3.758 3.944 . 0 0 "[ . 1 . 2]" 1
838 1 107 GLU H 1 107 GLU HG2 . . 4.130 3.934 3.060 4.188 0.058 20 0 "[ . 1 . 2]" 1
839 1 107 GLU H 1 107 GLU QG . . 3.390 3.062 2.899 3.236 . 0 0 "[ . 1 . 2]" 1
840 1 107 GLU H 1 107 GLU HG3 . . 4.130 3.335 2.963 4.381 0.251 15 0 "[ . 1 . 2]" 1
841 1 107 GLU H 1 111 TYR QE . . 4.630 4.359 3.860 4.716 0.086 8 0 "[ . 1 . 2]" 1
842 1 107 GLU H 1 111 TYR HH . . 3.350 2.764 2.195 3.521 0.171 19 0 "[ . 1 . 2]" 1
843 1 107 GLU HA 1 107 GLU HG2 . . 4.130 2.640 2.466 3.058 . 0 0 "[ . 1 . 2]" 1
844 1 107 GLU HA 1 107 GLU HG3 . . 4.130 3.277 3.049 3.793 . 0 0 "[ . 1 . 2]" 1
845 1 107 GLU HA 1 108 PRO HD2 . . 3.280 2.211 2.020 2.536 . 0 0 "[ . 1 . 2]" 1
846 1 107 GLU HA 1 108 PRO HD3 . . 3.310 2.299 2.182 2.373 . 0 0 "[ . 1 . 2]" 1
847 1 107 GLU HA 1 108 PRO HG2 . . 4.600 4.365 4.221 4.577 . 0 0 "[ . 1 . 2]" 1
848 1 107 GLU HA 1 108 PRO HG3 . . 4.590 4.403 4.315 4.478 . 0 0 "[ . 1 . 2]" 1
849 1 107 GLU HB2 1 108 PRO HD2 . . 3.900 3.936 3.821 4.109 0.209 19 0 "[ . 1 . 2]" 1
850 1 107 GLU HB2 1 108 PRO HD3 . . 4.840 4.883 4.659 4.947 0.107 19 0 "[ . 1 . 2]" 1
851 1 107 GLU HB2 1 111 TYR HH . . 4.220 3.121 2.297 3.712 . 0 0 "[ . 1 . 2]" 1
852 1 107 GLU HB3 1 108 PRO HD2 . . 3.590 2.532 2.242 2.866 . 0 0 "[ . 1 . 2]" 1
853 1 107 GLU HB3 1 108 PRO HD3 . . 4.430 3.900 3.486 4.175 . 0 0 "[ . 1 . 2]" 1
854 1 107 GLU HB3 1 111 TYR HH . . 4.620 4.332 3.402 4.687 0.067 19 0 "[ . 1 . 2]" 1
855 1 107 GLU QG 1 108 PRO HD2 . . 4.260 3.688 3.336 4.132 . 0 0 "[ . 1 . 2]" 1
856 1 108 PRO HA 1 109 GLY H . . 2.990 2.294 2.126 2.462 . 0 0 "[ . 1 . 2]" 1
857 1 108 PRO HA 1 111 TYR QE . . 4.390 3.404 2.907 4.476 0.086 19 0 "[ . 1 . 2]" 1
858 1 108 PRO HA 1 131 VAL MG1 . . 3.340 2.411 2.042 2.732 . 0 0 "[ . 1 . 2]" 1
859 1 108 PRO HB2 1 109 GLY H . . 3.680 2.923 2.488 3.530 . 0 0 "[ . 1 . 2]" 1
860 1 108 PRO HB2 1 131 VAL MG1 . . 4.640 4.165 3.757 4.606 . 0 0 "[ . 1 . 2]" 1
861 1 108 PRO HB2 1 132 ALA HA . . 4.020 2.988 2.454 3.536 . 0 0 "[ . 1 . 2]" 1
862 1 108 PRO HB2 1 132 ALA MB . . 5.160 4.431 3.896 4.969 . 0 0 "[ . 1 . 2]" 1
863 1 108 PRO HB3 1 109 GLY H . . 4.090 3.591 3.439 3.917 . 0 0 "[ . 1 . 2]" 1
864 1 108 PRO HB3 1 131 VAL MG1 . . 4.600 3.205 2.701 3.728 . 0 0 "[ . 1 . 2]" 1
865 1 108 PRO HB3 1 132 ALA HA . . 3.990 2.763 2.305 3.231 . 0 0 "[ . 1 . 2]" 1
866 1 108 PRO HG2 1 109 GLY H . . 5.020 4.652 4.188 5.025 0.005 19 0 "[ . 1 . 2]" 1
867 1 109 GLY H 1 110 ASP H . . 4.460 4.252 1.752 4.425 . 0 0 "[ . 1 . 2]" 1
868 1 109 GLY H 1 110 ASP HA . . 5.000 4.648 3.907 4.819 . 0 0 "[ . 1 . 2]" 1
869 1 109 GLY H 1 111 TYR QE . . 3.860 3.306 2.953 3.975 0.115 19 0 "[ . 1 . 2]" 1
870 1 109 GLY H 1 130 PRO HA . . 5.200 4.818 4.490 5.139 . 0 0 "[ . 1 . 2]" 1
871 1 109 GLY H 1 131 VAL H . . 3.680 3.166 2.818 3.611 . 0 0 "[ . 1 . 2]" 1
872 1 109 GLY H 1 131 VAL HB . . 3.330 2.407 1.892 2.792 . 0 0 "[ . 1 . 2]" 1
873 1 109 GLY H 1 131 VAL MG1 . . 3.810 3.401 3.203 3.833 0.023 20 0 "[ . 1 . 2]" 1
874 1 109 GLY H 1 131 VAL MG2 . . 4.180 3.969 3.494 4.253 0.073 8 0 "[ . 1 . 2]" 1
875 1 109 GLY H 1 132 ALA HA . . 4.810 3.864 3.458 4.512 . 0 0 "[ . 1 . 2]" 1
876 1 110 ASP H 1 110 ASP HB2 . . 3.730 2.738 2.588 3.713 . 0 0 "[ . 1 . 2]" 1
877 1 110 ASP H 1 110 ASP QB . . 3.030 2.665 2.540 3.417 0.387 20 0 "[ . 1 . 2]" 1
878 1 110 ASP H 1 110 ASP HB3 . . 3.730 3.714 3.662 3.994 0.264 20 0 "[ . 1 . 2]" 1
879 1 110 ASP H 1 111 TYR H . . 4.490 4.516 4.222 4.562 0.072 19 0 "[ . 1 . 2]" 1
880 1 110 ASP H 1 130 PRO HA . . 4.820 4.836 3.845 5.059 0.239 16 0 "[ . 1 . 2]" 1
881 1 110 ASP HA 1 111 TYR H . . 2.930 2.233 2.179 2.278 . 0 0 "[ . 1 . 2]" 1
882 1 110 ASP HA 1 111 TYR HB2 . . 4.630 4.247 4.124 4.354 . 0 0 "[ . 1 . 2]" 1
883 1 110 ASP HA 1 111 TYR QD . . 4.470 3.369 2.973 4.345 . 0 0 "[ . 1 . 2]" 1
884 1 110 ASP HA 1 128 VAL MG1 . . 4.040 3.087 2.855 3.321 . 0 0 "[ . 1 . 2]" 1
885 1 110 ASP HA 1 129 VAL HB . . 5.500 5.317 4.920 5.549 0.049 3 0 "[ . 1 . 2]" 1
886 1 110 ASP HA 1 130 PRO HA . . 3.520 2.518 2.179 2.752 . 0 0 "[ . 1 . 2]" 1
887 1 110 ASP HA 1 130 PRO HB2 . . 5.500 5.209 4.914 5.466 . 0 0 "[ . 1 . 2]" 1
888 1 110 ASP HA 1 130 PRO HB3 . . 5.020 4.419 4.109 4.726 . 0 0 "[ . 1 . 2]" 1
889 1 110 ASP HA 1 131 VAL H . . 3.730 2.956 2.081 3.327 . 0 0 "[ . 1 . 2]" 1
890 1 110 ASP HA 1 131 VAL HB . . 5.440 4.727 3.735 5.133 . 0 0 "[ . 1 . 2]" 1
891 1 110 ASP QB 1 111 TYR H . . 3.810 2.789 2.566 2.982 . 0 0 "[ . 1 . 2]" 1
892 1 110 ASP QB 1 128 VAL MG1 . . 3.230 1.835 1.747 1.904 . 0 0 "[ . 1 . 2]" 1
893 1 110 ASP QB 1 128 VAL MG2 . . 3.790 3.757 3.631 3.891 0.101 20 0 "[ . 1 . 2]" 1
894 1 110 ASP HB2 1 111 TYR H . . 4.590 3.813 3.651 3.989 . 0 0 "[ . 1 . 2]" 1
895 1 110 ASP HB2 1 128 VAL MG1 . . 3.800 2.956 2.805 3.090 . 0 0 "[ . 1 . 2]" 1
896 1 110 ASP HB2 1 128 VAL MG2 . . 4.430 4.704 4.627 4.782 0.352 19 0 "[ . 1 . 2]" 1
897 1 110 ASP HB3 1 128 VAL MG1 . . 3.800 1.854 1.760 1.928 . 0 0 "[ . 1 . 2]" 1
898 1 110 ASP HB3 1 128 VAL MG2 . . 4.430 3.953 3.773 4.159 . 0 0 "[ . 1 . 2]" 1
899 1 111 TYR H 1 111 TYR HB3 . . 4.190 3.794 3.732 3.880 . 0 0 "[ . 1 . 2]" 1
900 1 111 TYR H 1 111 TYR QD . . 3.630 3.268 3.018 3.734 0.104 19 0 "[ . 1 . 2]" 1
901 1 111 TYR H 1 128 VAL HB . . 4.460 4.870 4.833 4.914 0.454 19 0 "[ . 1 . 2]" 1
902 1 111 TYR H 1 129 VAL H . . 3.970 2.846 2.594 3.009 . 0 0 "[ . 1 . 2]" 1
903 1 111 TYR H 1 129 VAL HB . . 4.220 3.920 3.677 4.131 . 0 0 "[ . 1 . 2]" 1
904 1 111 TYR H 1 130 PRO HA . . 3.840 3.825 3.696 3.933 0.093 16 0 "[ . 1 . 2]" 1
905 1 111 TYR H 1 131 VAL MG2 . . 4.170 3.899 3.529 4.102 . 0 0 "[ . 1 . 2]" 1
906 1 111 TYR HA 1 112 GLU H . . 3.110 2.116 2.089 2.133 . 0 0 "[ . 1 . 2]" 1
907 1 111 TYR HB2 1 112 GLU H . . 4.630 4.293 4.171 4.381 . 0 0 "[ . 1 . 2]" 1
908 1 111 TYR HB2 1 129 VAL H . . 4.570 3.404 2.945 3.744 . 0 0 "[ . 1 . 2]" 1
909 1 111 TYR HB2 1 129 VAL HB . . 3.970 2.942 2.570 3.488 . 0 0 "[ . 1 . 2]" 1
910 1 111 TYR HB2 1 131 VAL MG2 . . 3.970 2.811 2.607 3.358 . 0 0 "[ . 1 . 2]" 1
911 1 111 TYR HB3 1 112 GLU H . . 3.790 3.307 3.113 3.457 . 0 0 "[ . 1 . 2]" 1
912 1 111 TYR HB3 1 113 VAL MG2 . . 4.400 3.371 3.196 3.607 . 0 0 "[ . 1 . 2]" 1
913 1 111 TYR HB3 1 129 VAL HB . . 4.780 4.158 3.782 4.789 0.009 13 0 "[ . 1 . 2]" 1
914 1 111 TYR HB3 1 131 VAL MG2 . . 5.010 4.039 3.869 4.531 . 0 0 "[ . 1 . 2]" 1
915 1 111 TYR QD 1 112 GLU H . . 4.470 4.025 3.675 4.302 . 0 0 "[ . 1 . 2]" 1
916 1 111 TYR QD 1 131 VAL H . . 4.200 3.230 2.861 4.310 0.110 19 0 "[ . 1 . 2]" 1
917 1 111 TYR QD 1 131 VAL HB . . 4.000 2.910 2.430 3.824 . 0 0 "[ . 1 . 2]" 1
918 1 111 TYR QD 1 131 VAL MG2 . . 3.540 2.245 1.862 2.546 . 0 0 "[ . 1 . 2]" 1
919 1 111 TYR QE 1 131 VAL H . . 4.810 4.390 3.988 4.889 0.079 20 0 "[ . 1 . 2]" 1
920 1 111 TYR QE 1 131 VAL HB . . 3.570 2.771 2.275 3.052 . 0 0 "[ . 1 . 2]" 1
921 1 111 TYR QE 1 131 VAL MG1 . . 3.990 3.559 2.880 3.879 . 0 0 "[ . 1 . 2]" 1
922 1 111 TYR QE 1 131 VAL MG2 . . 3.810 3.140 2.120 3.546 . 0 0 "[ . 1 . 2]" 1
923 1 112 GLU H 1 112 GLU HB2 . . 3.310 2.677 2.604 2.717 . 0 0 "[ . 1 . 2]" 1
924 1 112 GLU H 1 112 GLU HB3 . . 3.390 2.674 2.618 2.705 . 0 0 "[ . 1 . 2]" 1
925 1 112 GLU H 1 112 GLU HG2 . . 4.780 4.534 4.483 4.568 . 0 0 "[ . 1 . 2]" 1
926 1 112 GLU H 1 112 GLU HG3 . . 4.570 4.525 4.478 4.563 . 0 0 "[ . 1 . 2]" 1
927 1 112 GLU H 1 113 VAL H . . 4.680 4.148 4.119 4.221 . 0 0 "[ . 1 . 2]" 1
928 1 112 GLU HA 1 112 GLU HG2 . . 3.970 2.921 2.857 2.990 . 0 0 "[ . 1 . 2]" 1
929 1 112 GLU HA 1 112 GLU HG3 . . 4.060 2.468 2.409 2.580 . 0 0 "[ . 1 . 2]" 1
930 1 112 GLU HA 1 113 VAL H . . 2.990 2.082 2.061 2.103 . 0 0 "[ . 1 . 2]" 1
931 1 112 GLU HA 1 113 VAL HB . . 4.840 4.671 4.630 4.738 . 0 0 "[ . 1 . 2]" 1
932 1 112 GLU HA 1 113 VAL MG2 . . 4.410 3.582 3.520 3.622 . 0 0 "[ . 1 . 2]" 1
933 1 112 GLU HA 1 128 VAL HA . . 3.720 1.943 1.894 2.036 . 0 0 "[ . 1 . 2]" 1
934 1 112 GLU HA 1 128 VAL MG1 . . 3.930 3.287 3.188 3.377 . 0 0 "[ . 1 . 2]" 1
935 1 112 GLU HA 1 128 VAL MG2 . . 5.270 2.583 2.336 2.742 . 0 0 "[ . 1 . 2]" 1
936 1 112 GLU HA 1 129 VAL H . . 3.950 3.333 3.233 3.540 . 0 0 "[ . 1 . 2]" 1
937 1 112 GLU HB2 1 113 VAL H . . 4.670 4.451 4.397 4.488 . 0 0 "[ . 1 . 2]" 1
938 1 112 GLU HB2 1 128 VAL MG1 . . 3.820 3.232 3.178 3.326 . 0 0 "[ . 1 . 2]" 1
939 1 112 GLU HB3 1 113 VAL H . . 4.680 4.254 4.192 4.298 . 0 0 "[ . 1 . 2]" 1
940 1 112 GLU HB3 1 128 VAL MG1 . . 4.520 4.643 4.607 4.708 0.188 19 0 "[ . 1 . 2]" 1
941 1 112 GLU HG2 1 113 VAL H . . 4.730 3.564 3.335 3.712 . 0 0 "[ . 1 . 2]" 1
942 1 112 GLU HG2 1 126 PRO HB2 . . 4.020 3.103 2.687 3.609 . 0 0 "[ . 1 . 2]" 1
943 1 112 GLU HG2 1 126 PRO HB3 . . 4.110 3.471 3.168 3.894 . 0 0 "[ . 1 . 2]" 1
944 1 112 GLU HG3 1 113 VAL H . . 4.730 3.827 3.684 3.981 . 0 0 "[ . 1 . 2]" 1
945 1 112 GLU HG3 1 126 PRO HB2 . . 3.960 3.230 2.967 3.514 . 0 0 "[ . 1 . 2]" 1
946 1 112 GLU HG3 1 128 VAL MG2 . . 4.200 1.911 1.832 1.962 . 0 0 "[ . 1 . 2]" 1
947 1 113 VAL H 1 113 VAL HB . . 3.550 2.604 2.570 2.667 . 0 0 "[ . 1 . 2]" 1
948 1 113 VAL H 1 113 VAL MG1 . . 4.460 3.787 3.776 3.822 . 0 0 "[ . 1 . 2]" 1
949 1 113 VAL H 1 113 VAL MG2 . . 3.620 2.159 2.074 2.249 . 0 0 "[ . 1 . 2]" 1
950 1 113 VAL H 1 127 PHE H . . 4.060 3.628 3.497 3.820 . 0 0 "[ . 1 . 2]" 1
951 1 113 VAL H 1 127 PHE QB . . 4.020 3.374 3.192 3.523 . 0 0 "[ . 1 . 2]" 1
952 1 113 VAL H 1 127 PHE QD . . 5.030 4.891 4.686 5.033 0.003 16 0 "[ . 1 . 2]" 1
953 1 113 VAL H 1 128 VAL HA . . 4.230 3.180 3.055 3.296 . 0 0 "[ . 1 . 2]" 1
954 1 113 VAL HA 1 113 VAL MG1 . . 3.440 2.332 2.301 2.353 . 0 0 "[ . 1 . 2]" 1
955 1 113 VAL HA 1 113 VAL MG2 . . 3.440 2.492 2.463 2.535 . 0 0 "[ . 1 . 2]" 1
956 1 113 VAL HA 1 114 SER H . . 3.000 2.155 2.129 2.174 . 0 0 "[ . 1 . 2]" 1
957 1 113 VAL HA 1 114 SER HA . . 4.530 4.388 4.371 4.402 . 0 0 "[ . 1 . 2]" 1
958 1 113 VAL HB 1 114 SER H . . 4.820 4.309 4.229 4.353 . 0 0 "[ . 1 . 2]" 1
959 1 113 VAL HB 1 115 VAL MG1 . . 3.900 3.836 3.769 3.890 . 0 0 "[ . 1 . 2]" 1
960 1 113 VAL HB 1 127 PHE H . . 4.110 3.677 3.393 3.900 . 0 0 "[ . 1 . 2]" 1
961 1 113 VAL HB 1 127 PHE QB . . 3.500 2.707 2.354 2.871 . 0 0 "[ . 1 . 2]" 1
962 1 113 VAL HB 1 127 PHE QD . . 3.950 3.511 3.221 3.689 . 0 0 "[ . 1 . 2]" 1
963 1 113 VAL HB 1 129 VAL MG2 . . 4.390 3.580 3.346 3.848 . 0 0 "[ . 1 . 2]" 1
964 1 113 VAL MG1 1 114 SER H . . 3.620 3.228 3.011 3.357 . 0 0 "[ . 1 . 2]" 1
965 1 113 VAL MG1 1 115 VAL MG1 . . 3.620 2.389 2.316 2.519 . 0 0 "[ . 1 . 2]" 1
966 1 113 VAL MG1 1 127 PHE QB . . 4.040 4.037 3.723 4.179 0.139 13 0 "[ . 1 . 2]" 1
967 1 113 VAL MG1 1 127 PHE QD . . 4.170 4.005 3.792 4.114 . 0 0 "[ . 1 . 2]" 1
968 1 113 VAL MG2 1 114 SER H . . 4.470 4.278 4.230 4.328 . 0 0 "[ . 1 . 2]" 1
969 1 113 VAL MG2 1 127 PHE QB . . 3.850 3.525 3.256 3.724 . 0 0 "[ . 1 . 2]" 1
970 1 114 SER H 1 114 SER HB2 . . 3.990 3.172 2.377 3.598 . 0 0 "[ . 1 . 2]" 1
971 1 114 SER H 1 114 SER QB . . 3.390 2.695 2.269 2.915 . 0 0 "[ . 1 . 2]" 1
972 1 114 SER H 1 114 SER HB3 . . 3.990 3.180 2.868 3.644 . 0 0 "[ . 1 . 2]" 1
973 1 114 SER HA 1 115 VAL H . . 3.160 2.157 2.116 2.190 . 0 0 "[ . 1 . 2]" 1
974 1 114 SER HA 1 125 SER QB . . 4.850 3.087 2.880 3.415 . 0 0 "[ . 1 . 2]" 1
975 1 114 SER HA 1 126 PRO HA . . 3.980 2.404 2.178 2.627 . 0 0 "[ . 1 . 2]" 1
976 1 114 SER HA 1 126 PRO HB2 . . 4.660 4.793 4.599 4.931 0.271 14 0 "[ . 1 . 2]" 1
977 1 114 SER HA 1 126 PRO HB3 . . 4.540 3.639 3.415 3.813 . 0 0 "[ . 1 . 2]" 1
978 1 114 SER HA 1 127 PHE H . . 4.470 3.612 3.173 4.068 . 0 0 "[ . 1 . 2]" 1
979 1 114 SER QB 1 121 HIS HE1 . . 3.700 2.392 1.860 3.851 0.151 17 0 "[ . 1 . 2]" 1
980 1 114 SER QB 1 126 PRO HB2 . . 4.980 4.781 4.506 5.060 0.080 2 0 "[ . 1 . 2]" 1
981 1 114 SER QB 1 126 PRO HB3 . . 4.050 3.486 3.252 3.733 . 0 0 "[ . 1 . 2]" 1
982 1 114 SER HB2 1 115 VAL H . . 4.630 3.812 3.281 4.377 . 0 0 "[ . 1 . 2]" 1
983 1 114 SER HB2 1 121 HIS HE1 . . 4.550 2.982 2.342 4.313 . 0 0 "[ . 1 . 2]" 1
984 1 114 SER HB2 1 126 PRO HB3 . . 4.650 4.595 3.598 4.857 0.207 12 0 "[ . 1 . 2]" 1
985 1 114 SER HB3 1 115 VAL H . . 4.630 3.979 3.325 4.299 . 0 0 "[ . 1 . 2]" 1
986 1 114 SER HB3 1 121 HIS HE1 . . 4.550 2.780 1.869 4.333 . 0 0 "[ . 1 . 2]" 1
987 1 114 SER HB3 1 126 PRO HB3 . . 4.650 3.659 3.349 4.710 0.060 20 0 "[ . 1 . 2]" 1
988 1 115 VAL H 1 115 VAL HB . . 3.990 3.737 3.653 3.784 . 0 0 "[ . 1 . 2]" 1
989 1 115 VAL H 1 115 VAL MG1 . . 4.150 2.873 2.796 2.943 . 0 0 "[ . 1 . 2]" 1
990 1 115 VAL H 1 115 VAL MG2 . . 4.220 2.100 1.824 2.240 . 0 0 "[ . 1 . 2]" 1
991 1 115 VAL H 1 121 HIS HE1 . . 4.700 4.792 4.712 5.078 0.378 17 0 "[ . 1 . 2]" 1
992 1 115 VAL H 1 122 ILE QG . . 4.660 4.226 3.917 4.400 . 0 0 "[ . 1 . 2]" 1
993 1 115 VAL H 1 125 SER QB . . 4.010 1.608 1.449 2.182 . 0 0 "[ . 1 . 2]" 1
994 1 115 VAL H 1 125 SER HG . . 3.500 3.740 3.401 3.910 0.410 5 0 "[ . 1 . 2]" 1
995 1 115 VAL H 1 126 PRO HA . . 4.370 3.810 3.656 4.071 . 0 0 "[ . 1 . 2]" 1
996 1 115 VAL H 1 126 PRO HB3 . . 5.010 5.113 5.032 5.214 0.204 17 0 "[ . 1 . 2]" 1
997 1 115 VAL HA 1 115 VAL MG2 . . 3.260 3.154 3.134 3.168 . 0 0 "[ . 1 . 2]" 1
998 1 115 VAL HA 1 116 LYS H . . 3.030 2.246 2.192 2.361 . 0 0 "[ . 1 . 2]" 1
999 1 115 VAL HB 1 116 LYS H . . 4.750 2.378 2.278 2.585 . 0 0 "[ . 1 . 2]" 1
1000 1 115 VAL HB 1 122 ILE H . . 5.110 5.885 5.793 6.079 0.969 16 20 [*-*************+****] 1
1001 1 115 VAL HB 1 122 ILE QG . . 3.430 3.746 3.236 3.894 0.464 12 0 "[ . 1 . 2]" 1
1002 1 115 VAL HB 1 125 SER QB . . 4.630 3.786 3.656 3.964 . 0 0 "[ . 1 . 2]" 1
1003 1 115 VAL MG1 1 115 VAL MG2 . . 2.960 2.009 1.964 2.039 . 0 0 "[ . 1 . 2]" 1
1004 1 115 VAL MG1 1 116 LYS H . . 5.250 3.526 3.415 3.707 . 0 0 "[ . 1 . 2]" 1
1005 1 115 VAL MG1 1 127 PHE QD . . 3.940 3.355 3.176 3.507 . 0 0 "[ . 1 . 2]" 1
1006 1 115 VAL MG1 1 127 PHE QE . . 3.490 3.674 3.521 3.813 0.323 2 0 "[ . 1 . 2]" 1
1007 1 115 VAL MG2 1 116 LYS H . . 3.360 3.517 3.472 3.574 0.214 10 0 "[ . 1 . 2]" 1
1008 1 115 VAL MG2 1 116 LYS HA . . 3.650 3.669 3.569 3.721 0.071 9 0 "[ . 1 . 2]" 1
1009 1 115 VAL MG2 1 117 PHE H . . 4.070 4.320 4.219 4.448 0.378 16 0 "[ . 1 . 2]" 1
1010 1 115 VAL MG2 1 122 ILE QG . . 3.370 1.888 1.813 2.044 . 0 0 "[ . 1 . 2]" 1
1011 1 115 VAL MG2 1 125 SER QB . . 4.830 1.669 1.630 1.764 . 0 0 "[ . 1 . 2]" 1
1012 1 116 LYS H 1 116 LYS HB2 . . 3.710 2.774 2.725 2.919 . 0 0 "[ . 1 . 2]" 1
1013 1 116 LYS H 1 116 LYS HB3 . . 3.750 3.815 3.776 3.878 0.128 19 0 "[ . 1 . 2]" 1
1014 1 116 LYS H 1 116 LYS HG2 . . 4.520 4.206 4.036 4.434 . 0 0 "[ . 1 . 2]" 1
1015 1 116 LYS HA 1 116 LYS HD2 . . 3.960 4.145 4.068 4.414 0.454 17 0 "[ . 1 . 2]" 1
1016 1 116 LYS HA 1 116 LYS HD3 . . 5.040 4.635 3.895 4.733 . 0 0 "[ . 1 . 2]" 1
1017 1 116 LYS HA 1 116 LYS HG2 . . 4.130 2.387 2.339 2.423 . 0 0 "[ . 1 . 2]" 1
1018 1 116 LYS HA 1 117 PHE H . . 3.060 2.078 2.013 2.115 . 0 0 "[ . 1 . 2]" 1
1019 1 116 LYS HA 1 120 GLU H . . 4.180 3.863 3.643 4.144 . 0 0 "[ . 1 . 2]" 1
1020 1 116 LYS HA 1 121 HIS H . . 4.960 3.972 3.611 4.142 . 0 0 "[ . 1 . 2]" 1
1021 1 116 LYS HA 1 121 HIS HA . . 3.970 2.409 1.661 2.686 . 0 0 "[ . 1 . 2]" 1
1022 1 116 LYS HA 1 122 ILE H . . 3.910 3.463 3.215 4.264 0.354 18 0 "[ . 1 . 2]" 1
1023 1 116 LYS HA 1 122 ILE MG . . 4.610 3.705 3.372 3.904 . 0 0 "[ . 1 . 2]" 1
1024 1 116 LYS HB2 1 116 LYS HD2 . . 4.140 3.097 2.591 3.261 . 0 0 "[ . 1 . 2]" 1
1025 1 116 LYS HB2 1 116 LYS HD3 . . 3.960 3.755 3.380 3.827 . 0 0 "[ . 1 . 2]" 1
1026 1 116 LYS HB2 1 119 GLU H . . 4.750 4.113 3.887 4.376 . 0 0 "[ . 1 . 2]" 1
1027 1 116 LYS HB2 1 119 GLU HA . . 4.540 3.699 3.307 4.346 . 0 0 "[ . 1 . 2]" 1
1028 1 116 LYS HB2 1 120 GLU H . . 4.860 4.816 4.550 5.015 0.155 19 0 "[ . 1 . 2]" 1
1029 1 116 LYS HB3 1 117 PHE H . . 3.950 3.481 3.394 3.531 . 0 0 "[ . 1 . 2]" 1
1030 1 116 LYS HB3 1 118 ASN H . . 5.400 4.729 4.223 5.121 . 0 0 "[ . 1 . 2]" 1
1031 1 116 LYS HB3 1 119 GLU H . . 4.160 3.004 2.808 3.169 . 0 0 "[ . 1 . 2]" 1
1032 1 116 LYS HB3 1 119 GLU HA . . 3.930 2.475 2.017 3.081 . 0 0 "[ . 1 . 2]" 1
1033 1 116 LYS HB3 1 120 GLU H . . 3.620 3.161 2.914 3.296 . 0 0 "[ . 1 . 2]" 1
1034 1 116 LYS HD2 1 119 GLU H . . 5.060 4.495 4.037 4.831 . 0 0 "[ . 1 . 2]" 1
1035 1 116 LYS HD2 1 119 GLU HA . . 3.860 2.673 2.285 3.039 . 0 0 "[ . 1 . 2]" 1
1036 1 116 LYS HD2 1 119 GLU QB . . 5.210 4.191 3.338 4.690 . 0 0 "[ . 1 . 2]" 1
1037 1 116 LYS HD2 1 121 HIS H . . 4.780 4.420 3.939 4.917 0.137 17 0 "[ . 1 . 2]" 1
1038 1 116 LYS HD3 1 119 GLU HA . . 4.690 4.304 2.469 4.624 . 0 0 "[ . 1 . 2]" 1
1039 1 116 LYS HD3 1 121 HIS H . . 4.970 4.600 3.304 4.991 0.021 6 0 "[ . 1 . 2]" 1
1040 1 116 LYS QE 1 116 LYS HG2 . . 3.700 3.280 2.560 3.485 . 0 0 "[ . 1 . 2]" 1
1041 1 116 LYS HG2 1 117 PHE H . . 4.380 4.237 4.065 4.387 0.007 12 0 "[ . 1 . 2]" 1
1042 1 116 LYS HG2 1 121 HIS H . . 4.530 3.256 2.584 3.545 . 0 0 "[ . 1 . 2]" 1
1043 1 116 LYS HG2 1 121 HIS HA . . 4.210 2.141 1.798 2.409 . 0 0 "[ . 1 . 2]" 1
1044 1 116 LYS HG2 1 122 ILE H . . 4.480 4.560 4.483 4.766 0.286 19 0 "[ . 1 . 2]" 1
1045 1 116 LYS HG3 1 121 HIS HA . . 4.570 3.283 2.598 3.567 . 0 0 "[ . 1 . 2]" 1
1046 1 117 PHE H 1 117 PHE HB2 . . 3.960 2.936 2.884 2.989 . 0 0 "[ . 1 . 2]" 1
1047 1 117 PHE H 1 117 PHE QB . . 3.410 2.363 2.321 2.419 . 0 0 "[ . 1 . 2]" 1
1048 1 117 PHE H 1 117 PHE HB3 . . 3.960 2.492 2.443 2.567 . 0 0 "[ . 1 . 2]" 1
1049 1 117 PHE H 1 117 PHE QD . . 4.550 4.207 4.166 4.241 . 0 0 "[ . 1 . 2]" 1
1050 1 117 PHE H 1 119 GLU H . . 4.590 4.313 4.012 4.684 0.094 16 0 "[ . 1 . 2]" 1
1051 1 117 PHE H 1 120 GLU H . . 3.390 3.132 2.943 3.485 0.095 19 0 "[ . 1 . 2]" 1
1052 1 117 PHE H 1 121 HIS HA . . 4.070 3.987 3.340 4.194 0.124 6 0 "[ . 1 . 2]" 1
1053 1 117 PHE H 1 122 ILE H . . 4.750 3.309 2.979 4.688 . 0 0 "[ . 1 . 2]" 1
1054 1 117 PHE H 1 122 ILE MG . . 4.190 2.654 2.352 2.948 . 0 0 "[ . 1 . 2]" 1
1055 1 117 PHE HA 1 117 PHE QD . . 4.050 2.799 2.482 3.056 . 0 0 "[ . 1 . 2]" 1
1056 1 117 PHE HA 1 118 ASN H . . 3.180 2.128 2.089 2.198 . 0 0 "[ . 1 . 2]" 1
1057 1 117 PHE HA 1 118 ASN HA . . 4.480 4.345 4.298 4.418 . 0 0 "[ . 1 . 2]" 1
1058 1 117 PHE QB 1 122 ILE MG . . 3.460 2.307 2.131 2.522 . 0 0 "[ . 1 . 2]" 1
1059 1 117 PHE HB2 1 122 ILE MG . . 3.960 2.838 2.542 3.049 . 0 0 "[ . 1 . 2]" 1
1060 1 117 PHE HB3 1 122 ILE MG . . 3.960 2.444 2.285 2.715 . 0 0 "[ . 1 . 2]" 1
1061 1 117 PHE QD 1 118 ASN H . . 4.630 3.810 3.389 4.130 . 0 0 "[ . 1 . 2]" 1
1062 1 117 PHE QE 1 118 ASN HD21 . . 4.350 3.344 2.614 4.328 . 0 0 "[ . 1 . 2]" 1
1063 1 117 PHE QE 1 118 ASN QD . . 3.820 3.014 2.524 3.646 . 0 0 "[ . 1 . 2]" 1
1064 1 117 PHE QE 1 118 ASN HD22 . . 4.350 3.581 2.965 4.549 0.199 14 0 "[ . 1 . 2]" 1
1065 1 118 ASN H 1 119 GLU H . . 3.770 2.592 2.453 2.763 . 0 0 "[ . 1 . 2]" 1
1066 1 118 ASN HA 1 119 GLU H . . 3.450 2.722 2.533 2.864 . 0 0 "[ . 1 . 2]" 1
1067 1 118 ASN HA 1 119 GLU HA . . 4.850 4.678 4.548 4.788 . 0 0 "[ . 1 . 2]" 1
1068 1 118 ASN QB 1 118 ASN QD . . 2.910 2.170 2.108 2.674 . 0 0 "[ . 1 . 2]" 1
1069 1 118 ASN QB 1 119 GLU H . . 4.340 3.866 3.797 4.057 . 0 0 "[ . 1 . 2]" 1
1070 1 118 ASN HB2 1 118 ASN HD22 . . 3.950 3.614 3.445 3.987 0.037 15 0 "[ . 1 . 2]" 1
1071 1 118 ASN HB2 1 119 GLU H . . 4.990 4.315 4.141 4.516 . 0 0 "[ . 1 . 2]" 1
1072 1 118 ASN HB3 1 118 ASN HD22 . . 3.950 3.691 3.455 4.039 0.089 2 0 "[ . 1 . 2]" 1
1073 1 118 ASN HB3 1 119 GLU H . . 4.990 4.377 4.161 4.595 . 0 0 "[ . 1 . 2]" 1
1074 1 119 GLU H 1 119 GLU HB2 . . 4.110 3.353 3.173 3.643 . 0 0 "[ . 1 . 2]" 1
1075 1 119 GLU H 1 119 GLU HB3 . . 4.110 3.852 3.659 4.127 0.017 8 0 "[ . 1 . 2]" 1
1076 1 119 GLU H 1 120 GLU H . . 3.380 2.607 2.504 2.730 . 0 0 "[ . 1 . 2]" 1
1077 1 119 GLU QB 1 120 GLU H . . 4.160 3.556 3.388 3.716 . 0 0 "[ . 1 . 2]" 1
1078 1 119 GLU HB2 1 120 GLU H . . 4.780 4.207 3.733 4.495 . 0 0 "[ . 1 . 2]" 1
1079 1 119 GLU HB3 1 120 GLU H . . 4.780 3.936 3.544 4.421 . 0 0 "[ . 1 . 2]" 1
1080 1 120 GLU H 1 120 GLU HB2 . . 3.300 2.462 2.374 2.586 . 0 0 "[ . 1 . 2]" 1
1081 1 120 GLU H 1 120 GLU HB3 . . 3.710 3.671 3.621 3.718 0.008 12 0 "[ . 1 . 2]" 1
1082 1 120 GLU H 1 120 GLU HG2 . . 4.660 3.931 3.634 4.177 . 0 0 "[ . 1 . 2]" 1
1083 1 120 GLU H 1 120 GLU HG3 . . 3.860 2.956 2.626 3.279 . 0 0 "[ . 1 . 2]" 1
1084 1 120 GLU H 1 121 HIS H . . 4.390 4.301 3.998 4.378 . 0 0 "[ . 1 . 2]" 1
1085 1 120 GLU HA 1 120 GLU HG2 . . 3.770 2.461 2.344 2.578 . 0 0 "[ . 1 . 2]" 1
1086 1 120 GLU HA 1 120 GLU HG3 . . 4.130 3.076 2.910 3.252 . 0 0 "[ . 1 . 2]" 1
1087 1 120 GLU HA 1 121 HIS HD2 . . 4.390 4.474 3.683 4.934 0.544 17 1 "[ . 1 . + 2]" 1
1088 1 120 GLU HB2 1 121 HIS H . . 4.300 4.209 3.997 4.357 0.057 18 0 "[ . 1 . 2]" 1
1089 1 120 GLU HB3 1 121 HIS H . . 3.760 3.294 3.082 3.707 . 0 0 "[ . 1 . 2]" 1
1090 1 120 GLU HG2 1 121 HIS H . . 4.260 4.122 3.894 4.334 0.074 18 0 "[ . 1 . 2]" 1
1091 1 120 GLU HG3 1 121 HIS H . . 5.010 4.969 4.805 5.058 0.048 2 0 "[ . 1 . 2]" 1
1092 1 121 HIS H 1 121 HIS HB2 . . 3.510 2.165 2.016 3.173 . 0 0 "[ . 1 . 2]" 1
1093 1 121 HIS H 1 121 HIS QB . . 2.970 2.085 1.951 2.330 . 0 0 "[ . 1 . 2]" 1
1094 1 121 HIS H 1 121 HIS HB3 . . 3.510 3.319 1.969 3.567 0.057 18 0 "[ . 1 . 2]" 1
1095 1 121 HIS H 1 121 HIS HD2 . . 3.530 3.212 2.373 3.624 0.094 17 0 "[ . 1 . 2]" 1
1096 1 121 HIS H 1 122 ILE H . . 4.680 3.243 3.077 3.333 . 0 0 "[ . 1 . 2]" 1
1097 1 121 HIS HA 1 122 ILE H . . 3.120 3.048 2.936 3.274 0.154 16 0 "[ . 1 . 2]" 1
1098 1 121 HIS HA 1 122 ILE QG . . 4.770 3.773 3.626 4.041 . 0 0 "[ . 1 . 2]" 1
1099 1 121 HIS HA 1 122 ILE MG . . 4.450 4.340 4.095 4.545 0.095 12 0 "[ . 1 . 2]" 1
1100 1 121 HIS QB 1 121 HIS HD2 . . 3.490 2.805 2.709 3.044 . 0 0 "[ . 1 . 2]" 1
1101 1 121 HIS QB 1 122 ILE H . . 3.960 3.431 1.654 4.002 0.042 17 0 "[ . 1 . 2]" 1
1102 1 121 HIS HB2 1 122 ILE H . . 4.840 3.888 1.755 4.663 . 0 0 "[ . 1 . 2]" 1
1103 1 121 HIS HB3 1 122 ILE H . . 4.840 3.833 2.022 4.358 . 0 0 "[ . 1 . 2]" 1
1104 1 121 HIS HE1 1 125 SER HG . . 4.250 4.117 2.895 4.378 0.128 13 0 "[ . 1 . 2]" 1
1105 1 121 HIS HE1 1 126 PRO HB2 . . 5.500 5.337 4.531 5.630 0.130 20 0 "[ . 1 . 2]" 1
1106 1 121 HIS HE1 1 126 PRO HB3 . . 4.410 3.608 2.941 3.897 . 0 0 "[ . 1 . 2]" 1
1107 1 121 HIS HE1 1 126 PRO QD . . 4.490 4.428 2.619 4.635 0.145 18 0 "[ . 1 . 2]" 1
1108 1 121 HIS HE1 1 126 PRO QG . . 4.490 4.383 2.887 4.580 0.090 18 0 "[ . 1 . 2]" 1
1109 1 122 ILE H 1 122 ILE MD . . 3.550 4.214 4.002 4.504 0.954 18 18 "[*************** -+ *]" 1
1110 1 122 ILE H 1 122 ILE QG . . 3.470 2.957 2.839 3.265 . 0 0 "[ . 1 . 2]" 1
1111 1 122 ILE H 1 122 ILE MG . . 3.260 2.402 2.049 3.544 0.284 18 0 "[ . 1 . 2]" 1
1112 1 122 ILE H 1 125 SER H . . 4.700 5.146 4.393 5.539 0.839 13 11 "[*** .** * *+*. * -]" 1
1113 1 122 ILE H 1 125 SER QB . . 4.090 3.876 3.006 4.164 0.074 17 0 "[ . 1 . 2]" 1
1114 1 122 ILE H 1 125 SER HG . . 4.530 4.603 4.035 4.763 0.233 20 0 "[ . 1 . 2]" 1
1115 1 122 ILE HA 1 122 ILE MG . . 3.340 2.304 2.234 2.413 . 0 0 "[ . 1 . 2]" 1
1116 1 122 ILE HA 1 123 PRO HA . . 4.580 4.382 4.245 4.502 . 0 0 "[ . 1 . 2]" 1
1117 1 122 ILE HA 1 123 PRO HD2 . . 3.710 2.809 2.158 3.641 . 0 0 "[ . 1 . 2]" 1
1118 1 122 ILE HA 1 123 PRO HD3 . . 3.620 2.579 2.240 2.886 . 0 0 "[ . 1 . 2]" 1
1119 1 122 ILE HB 1 122 ILE MD . . 3.450 2.277 2.143 2.380 . 0 0 "[ . 1 . 2]" 1
1120 1 122 ILE HB 1 123 PRO HA . . 5.040 4.806 4.667 5.032 . 0 0 "[ . 1 . 2]" 1
1121 1 122 ILE HB 1 123 PRO HD2 . . 3.790 1.804 1.682 2.006 . 0 0 "[ . 1 . 2]" 1
1122 1 122 ILE HB 1 123 PRO HD3 . . 3.530 3.066 2.061 3.577 0.047 17 0 "[ . 1 . 2]" 1
1123 1 122 ILE HB 1 123 PRO HG2 . . 4.300 3.641 3.186 4.080 . 0 0 "[ . 1 . 2]" 1
1124 1 122 ILE MD 1 123 PRO HD2 . . 4.470 3.453 2.390 4.061 . 0 0 "[ . 1 . 2]" 1
1125 1 122 ILE MD 1 124 ASP H . . 5.090 4.115 3.336 5.236 0.146 6 0 "[ . 1 . 2]" 1
1126 1 122 ILE MD 1 125 SER H . . 4.280 3.828 2.833 4.356 0.076 13 0 "[ . 1 . 2]" 1
1127 1 122 ILE MD 1 125 SER HA . . 4.920 2.645 2.194 2.969 . 0 0 "[ . 1 . 2]" 1
1128 1 122 ILE MD 1 125 SER QB . . 3.910 2.822 2.574 2.994 . 0 0 "[ . 1 . 2]" 1
1129 1 122 ILE MD 1 127 PHE QE . . 3.620 2.463 1.969 3.025 . 0 0 "[ . 1 . 2]" 1
1130 1 122 ILE QG 1 124 ASP H . . 4.850 3.279 2.172 5.203 0.353 16 0 "[ . 1 . 2]" 1
1131 1 122 ILE QG 1 125 SER H . . 3.720 2.690 2.168 3.879 0.159 19 0 "[ . 1 . 2]" 1
1132 1 122 ILE QG 1 125 SER QB . . 4.080 1.871 1.720 1.975 . 0 0 "[ . 1 . 2]" 1
1133 1 122 ILE QG 1 127 PHE QE . . 4.270 3.744 3.422 4.166 . 0 0 "[ . 1 . 2]" 1
1134 1 122 ILE MG 1 123 PRO HD2 . . 4.190 3.013 2.799 3.559 . 0 0 "[ . 1 . 2]" 1
1135 1 122 ILE MG 1 123 PRO HD3 . . 3.930 3.574 3.037 3.974 0.044 16 0 "[ . 1 . 2]" 1
1136 1 122 ILE MG 1 125 SER QB . . 4.760 3.947 3.780 4.095 . 0 0 "[ . 1 . 2]" 1
1137 1 123 PRO HA 1 124 ASP H . . 3.480 2.714 2.014 3.530 0.050 18 0 "[ . 1 . 2]" 1
1138 1 123 PRO HA 1 124 ASP HA . . 4.920 4.313 4.140 4.490 . 0 0 "[ . 1 . 2]" 1
1139 1 123 PRO HA 1 125 SER H . . 4.040 4.306 3.715 4.764 0.724 10 5 "[ . * + *- . * 2]" 1
1140 1 123 PRO HB2 1 124 ASP H . . 4.150 3.858 2.361 4.258 0.108 11 0 "[ . 1 . 2]" 1
1141 1 123 PRO HB2 1 124 ASP HA . . 5.030 4.934 4.134 5.296 0.266 13 0 "[ . 1 . 2]" 1
1142 1 123 PRO HB3 1 124 ASP H . . 4.600 4.377 3.749 4.679 0.079 4 0 "[ . 1 . 2]" 1
1143 1 123 PRO HG2 1 124 ASP H . . 4.090 4.156 2.501 4.701 0.611 19 8 "[*** .* 1 - .* +*]" 1
1144 1 124 ASP H 1 124 ASP HB2 . . 4.140 3.279 2.471 3.624 . 0 0 "[ . 1 . 2]" 1
1145 1 124 ASP H 1 124 ASP QB . . 3.760 3.014 2.435 3.418 . 0 0 "[ . 1 . 2]" 1
1146 1 124 ASP H 1 124 ASP HB3 . . 4.140 3.634 3.141 4.196 0.056 19 0 "[ . 1 . 2]" 1
1147 1 124 ASP H 1 125 SER H . . 3.580 2.345 1.661 3.730 0.150 18 0 "[ . 1 . 2]" 1
1148 1 124 ASP HA 1 125 SER H . . 3.360 2.929 2.249 3.323 . 0 0 "[ . 1 . 2]" 1
1149 1 124 ASP QB 1 125 SER H . . 3.950 3.822 3.536 4.070 0.120 13 0 "[ . 1 . 2]" 1
1150 1 124 ASP QB 1 127 PHE QE . . 3.700 3.368 2.922 3.773 0.073 13 0 "[ . 1 . 2]" 1
1151 1 124 ASP HB2 1 125 SER H . . 4.510 4.455 3.973 4.668 0.158 3 0 "[ . 1 . 2]" 1
1152 1 124 ASP HB2 1 127 PHE QE . . 4.220 4.417 3.889 4.699 0.479 13 0 "[ . 1 . 2]" 1
1153 1 124 ASP HB3 1 125 SER H . . 4.510 4.193 3.743 4.505 . 0 0 "[ . 1 . 2]" 1
1154 1 124 ASP HB3 1 127 PHE QE . . 4.220 3.539 2.968 4.180 . 0 0 "[ . 1 . 2]" 1
1155 1 125 SER H 1 125 SER QB . . 3.350 2.510 2.380 2.955 . 0 0 "[ . 1 . 2]" 1
1156 1 125 SER H 1 125 SER HG . . 4.120 2.577 2.206 3.038 . 0 0 "[ . 1 . 2]" 1
1157 1 125 SER H 1 126 PRO HA . . 4.890 5.206 4.990 5.308 0.418 16 0 "[ . 1 . 2]" 1
1158 1 125 SER H 1 127 PHE QE . . 4.410 4.580 4.448 4.793 0.383 13 0 "[ . 1 . 2]" 1
1159 1 125 SER HA 1 127 PHE H . . 3.950 4.076 3.969 4.188 0.238 13 0 "[ . 1 . 2]" 1
1160 1 125 SER HA 1 127 PHE QD . . 4.440 3.108 2.960 3.375 . 0 0 "[ . 1 . 2]" 1
1161 1 125 SER QB 1 126 PRO HA . . 4.050 3.720 3.580 3.813 . 0 0 "[ . 1 . 2]" 1
1162 1 125 SER QB 1 127 PHE H . . 4.370 4.273 4.180 4.351 . 0 0 "[ . 1 . 2]" 1
1163 1 125 SER QB 1 127 PHE QD . . 4.710 3.914 3.789 4.138 . 0 0 "[ . 1 . 2]" 1
1164 1 125 SER QB 1 127 PHE QE . . 4.010 3.591 3.472 3.775 . 0 0 "[ . 1 . 2]" 1
1165 1 125 SER HG 1 126 PRO HA . . 4.190 4.435 3.595 4.623 0.433 1 0 "[ . 1 . 2]" 1
1166 1 126 PRO HA 1 127 PHE H . . 3.240 2.225 2.196 2.263 . 0 0 "[ . 1 . 2]" 1
1167 1 126 PRO HA 1 127 PHE QD . . 4.210 4.222 3.906 4.338 0.128 13 0 "[ . 1 . 2]" 1
1168 1 126 PRO HB2 1 127 PHE H . . 3.960 4.114 4.089 4.146 0.186 6 0 "[ . 1 . 2]" 1
1169 1 126 PRO HB3 1 127 PHE H . . 4.140 4.311 4.282 4.338 0.198 6 0 "[ . 1 . 2]" 1
1170 1 127 PHE H 1 127 PHE QB . . 3.420 2.455 2.410 2.503 . 0 0 "[ . 1 . 2]" 1
1171 1 127 PHE H 1 127 PHE QD . . 3.310 2.576 2.245 2.720 . 0 0 "[ . 1 . 2]" 1
1172 1 127 PHE H 1 127 PHE QE . . 4.720 4.421 4.278 4.496 . 0 0 "[ . 1 . 2]" 1
1173 1 127 PHE H 1 128 VAL H . . 4.760 4.381 4.297 4.452 . 0 0 "[ . 1 . 2]" 1
1174 1 127 PHE HA 1 127 PHE QD . . 3.920 2.809 2.658 2.987 . 0 0 "[ . 1 . 2]" 1
1175 1 127 PHE HA 1 128 VAL H . . 3.010 2.119 2.108 2.139 . 0 0 "[ . 1 . 2]" 1
1176 1 127 PHE HA 1 128 VAL HB . . 4.530 4.711 4.686 4.740 0.210 14 0 "[ . 1 . 2]" 1
1177 1 127 PHE QB 1 128 VAL H . . 3.970 3.373 3.266 3.458 . 0 0 "[ . 1 . 2]" 1
1178 1 127 PHE QB 1 129 VAL MG2 . . 3.500 2.865 2.573 3.040 . 0 0 "[ . 1 . 2]" 1
1179 1 127 PHE QD 1 128 VAL H . . 4.140 4.342 4.265 4.438 0.298 14 0 "[ . 1 . 2]" 1
1180 1 128 VAL H 1 128 VAL HB . . 3.240 2.601 2.583 2.622 . 0 0 "[ . 1 . 2]" 1
1181 1 128 VAL H 1 128 VAL MG2 . . 4.590 2.465 2.348 2.607 . 0 0 "[ . 1 . 2]" 1
1182 1 128 VAL H 1 129 VAL H . . 4.500 4.243 4.162 4.322 . 0 0 "[ . 1 . 2]" 1
1183 1 128 VAL HA 1 128 VAL MG1 . . 3.320 2.364 2.327 2.404 . 0 0 "[ . 1 . 2]" 1
1184 1 128 VAL HA 1 129 VAL H . . 2.880 2.059 2.041 2.087 . 0 0 "[ . 1 . 2]" 1
1185 1 128 VAL HA 1 129 VAL MG2 . . 4.340 3.369 3.243 3.448 . 0 0 "[ . 1 . 2]" 1
1186 1 128 VAL HB 1 129 VAL H . . 4.350 4.224 4.132 4.306 . 0 0 "[ . 1 . 2]" 1
1187 1 128 VAL MG2 1 129 VAL H . . 5.140 4.099 4.014 4.185 . 0 0 "[ . 1 . 2]" 1
1188 1 129 VAL H 1 129 VAL HB . . 3.390 2.593 2.540 2.646 . 0 0 "[ . 1 . 2]" 1
1189 1 129 VAL H 1 130 PRO QD . . 4.630 4.144 3.981 4.270 . 0 0 "[ . 1 . 2]" 1
1190 1 129 VAL HA 1 129 VAL MG1 . . 3.310 2.309 2.267 2.339 . 0 0 "[ . 1 . 2]" 1
1191 1 129 VAL HA 1 129 VAL MG2 . . 3.440 2.494 2.443 2.528 . 0 0 "[ . 1 . 2]" 1
1192 1 129 VAL HA 1 130 PRO HD2 . . 3.230 2.048 1.970 2.469 . 0 0 "[ . 1 . 2]" 1
1193 1 129 VAL HA 1 130 PRO QD . . 2.820 1.925 1.874 1.963 . 0 0 "[ . 1 . 2]" 1
1194 1 129 VAL HA 1 130 PRO HD3 . . 3.230 2.402 1.941 2.535 . 0 0 "[ . 1 . 2]" 1
1195 1 129 VAL HA 1 130 PRO HG2 . . 4.690 4.225 4.163 4.380 . 0 0 "[ . 1 . 2]" 1
1196 1 129 VAL HA 1 130 PRO QG . . 4.020 3.832 3.782 3.864 . 0 0 "[ . 1 . 2]" 1
1197 1 129 VAL HA 1 130 PRO HG3 . . 4.690 4.394 4.134 4.444 . 0 0 "[ . 1 . 2]" 1
1198 1 129 VAL HB 1 131 VAL MG2 . . 4.170 3.171 2.808 3.558 . 0 0 "[ . 1 . 2]" 1
1199 1 129 VAL MG1 1 130 PRO HD2 . . 3.920 2.560 2.249 2.844 . 0 0 "[ . 1 . 2]" 1
1200 1 129 VAL MG1 1 130 PRO QD . . 3.370 2.519 2.224 2.785 . 0 0 "[ . 1 . 2]" 1
1201 1 129 VAL MG1 1 130 PRO HD3 . . 3.920 3.770 3.455 3.974 0.054 19 0 "[ . 1 . 2]" 1
1202 1 129 VAL MG1 1 130 PRO HG2 . . 5.080 3.838 3.462 4.586 . 0 0 "[ . 1 . 2]" 1
1203 1 129 VAL MG1 1 130 PRO QG . . 4.330 3.680 3.343 4.234 . 0 0 "[ . 1 . 2]" 1
1204 1 129 VAL MG1 1 130 PRO HG3 . . 5.080 4.746 4.412 5.069 . 0 0 "[ . 1 . 2]" 1
1205 1 130 PRO HA 1 131 VAL H . . 2.880 2.182 2.142 2.243 . 0 0 "[ . 1 . 2]" 1
1206 1 130 PRO HB2 1 131 VAL H . . 4.220 3.913 3.760 4.049 . 0 0 "[ . 1 . 2]" 1
1207 1 130 PRO HB2 1 132 ALA MB . . 4.020 3.972 3.786 4.166 0.146 11 0 "[ . 1 . 2]" 1
1208 1 130 PRO HB3 1 132 ALA MB . . 5.500 5.311 5.230 5.386 . 0 0 "[ . 1 . 2]" 1
1209 1 130 PRO QD 1 131 VAL H . . 4.960 4.768 4.654 4.873 . 0 0 "[ . 1 . 2]" 1
1210 1 131 VAL H 1 131 VAL HB . . 3.200 2.537 2.486 2.616 . 0 0 "[ . 1 . 2]" 1
1211 1 131 VAL H 1 132 ALA H . . 4.680 4.427 4.325 4.503 . 0 0 "[ . 1 . 2]" 1
1212 1 131 VAL HA 1 131 VAL MG1 . . 3.390 2.340 2.273 2.390 . 0 0 "[ . 1 . 2]" 1
1213 1 131 VAL HA 1 131 VAL MG2 . . 3.400 2.379 2.301 2.483 . 0 0 "[ . 1 . 2]" 1
1214 1 131 VAL HA 1 132 ALA H . . 2.930 2.127 2.088 2.162 . 0 0 "[ . 1 . 2]" 1
1215 1 131 VAL HB 1 132 ALA H . . 4.660 4.057 3.974 4.156 . 0 0 "[ . 1 . 2]" 1
1216 1 131 VAL HB 1 132 ALA MB . . 5.500 5.174 5.109 5.226 . 0 0 "[ . 1 . 2]" 1
1217 1 131 VAL MG1 1 132 ALA HA . . 4.820 3.544 3.336 3.770 . 0 0 "[ . 1 . 2]" 1
1218 1 131 VAL MG2 1 132 ALA H . . 4.200 3.939 3.837 4.095 . 0 0 "[ . 1 . 2]" 1
1219 1 132 ALA H 1 132 ALA MB . . 3.590 2.469 2.394 2.557 . 0 0 "[ . 1 . 2]" 1
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