NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409498 |
1zk6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1zk6
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 1417
_Distance_constraint_stats_list.Viol_count 842
_Distance_constraint_stats_list.Viol_total 256.387
_Distance_constraint_stats_list.Viol_max 0.113
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0203
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 LYS 0.118 0.025 5 0 "[ . 1 .]"
1 5 ILE 0.305 0.028 13 0 "[ . 1 .]"
1 6 ARG 0.688 0.042 5 0 "[ . 1 .]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 8 SER 0.216 0.031 13 0 "[ . 1 .]"
1 9 HIS 0.189 0.020 10 0 "[ . 1 .]"
1 10 ILE 0.286 0.043 4 0 "[ . 1 .]"
1 11 LEU 0.394 0.058 1 0 "[ . 1 .]"
1 12 VAL 0.520 0.058 1 0 "[ . 1 .]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 15 LYS 1.036 0.049 2 0 "[ . 1 .]"
1 16 LYS 0.289 0.042 13 0 "[ . 1 .]"
1 17 THR 0.925 0.065 6 0 "[ . 1 .]"
1 18 ALA 0.019 0.014 15 0 "[ . 1 .]"
1 19 GLU 0.070 0.021 12 0 "[ . 1 .]"
1 20 GLU 0.599 0.059 8 0 "[ . 1 .]"
1 21 VAL 1.132 0.059 8 0 "[ . 1 .]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 23 LYS 0.048 0.021 2 0 "[ . 1 .]"
1 24 LYS 0.899 0.052 2 0 "[ . 1 .]"
1 25 LEU 0.066 0.021 2 0 "[ . 1 .]"
1 26 LYS 0.235 0.048 11 0 "[ . 1 .]"
1 27 LYS 0.190 0.048 11 0 "[ . 1 .]"
1 28 GLY 0.035 0.035 9 0 "[ . 1 .]"
1 29 GLU 0.730 0.079 4 0 "[ . 1 .]"
1 30 LYS 0.283 0.047 2 0 "[ . 1 .]"
1 31 PHE 0.191 0.028 9 0 "[ . 1 .]"
1 32 GLU 0.100 0.026 13 0 "[ . 1 .]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 34 LEU 0.164 0.028 9 0 "[ . 1 .]"
1 35 ALA 0.183 0.024 11 0 "[ . 1 .]"
1 36 LYS 0.122 0.023 1 0 "[ . 1 .]"
1 37 GLU 0.413 0.029 13 0 "[ . 1 .]"
1 38 TYR 0.744 0.037 13 0 "[ . 1 .]"
1 39 SER 1.356 0.065 6 0 "[ . 1 .]"
1 40 THR 0.000 0.000 . 0 "[ . 1 .]"
1 41 ASP 0.462 0.062 11 0 "[ . 1 .]"
1 42 SER 0.000 0.000 . 0 "[ . 1 .]"
1 43 SER 0.025 0.014 6 0 "[ . 1 .]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 45 SER 0.090 0.023 1 0 "[ . 1 .]"
1 46 LYS 0.059 0.034 14 0 "[ . 1 .]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 49 ASP 0.053 0.034 14 0 "[ . 1 .]"
1 50 LEU 0.051 0.018 14 0 "[ . 1 .]"
1 51 GLY 0.608 0.042 5 0 "[ . 1 .]"
1 52 TRP 0.789 0.057 5 0 "[ . 1 .]"
1 53 PHE 0.201 0.022 5 0 "[ . 1 .]"
1 54 ALA 0.086 0.025 5 0 "[ . 1 .]"
1 55 LYS 0.342 0.036 6 0 "[ . 1 .]"
1 56 GLU 0.204 0.033 8 0 "[ . 1 .]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 59 MET 0.068 0.016 8 0 "[ . 1 .]"
1 60 ASP 0.029 0.019 6 0 "[ . 1 .]"
1 61 GLU 0.022 0.009 4 0 "[ . 1 .]"
1 62 THR 0.350 0.040 3 0 "[ . 1 .]"
1 63 PHE 0.171 0.040 3 0 "[ . 1 .]"
1 64 SER 0.006 0.006 3 0 "[ . 1 .]"
1 65 LYS 0.518 0.047 11 0 "[ . 1 .]"
1 66 ALA 0.779 0.053 10 0 "[ . 1 .]"
1 67 ALA 1.001 0.057 11 0 "[ . 1 .]"
1 68 PHE 1.221 0.053 10 0 "[ . 1 .]"
1 69 LYS 0.080 0.033 3 0 "[ . 1 .]"
1 70 LEU 1.206 0.081 8 0 "[ . 1 .]"
1 71 LYS 0.322 0.044 10 0 "[ . 1 .]"
1 72 THR 0.783 0.077 10 0 "[ . 1 .]"
1 73 GLY 0.104 0.077 10 0 "[ . 1 .]"
1 74 GLU 0.412 0.066 6 0 "[ . 1 .]"
1 75 VAL 0.111 0.066 6 0 "[ . 1 .]"
1 76 SER 0.967 0.079 2 0 "[ . 1 .]"
1 77 ASP 0.796 0.078 15 0 "[ . 1 .]"
1 78 PRO 0.729 0.078 15 0 "[ . 1 .]"
1 79 VAL 0.643 0.057 11 0 "[ . 1 .]"
1 80 LYS 0.164 0.029 10 0 "[ . 1 .]"
1 81 THR 0.050 0.019 6 0 "[ . 1 .]"
1 82 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 83 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 84 GLY 0.155 0.019 3 0 "[ . 1 .]"
1 85 TYR 0.380 0.035 4 0 "[ . 1 .]"
1 86 HIS 0.403 0.035 15 0 "[ . 1 .]"
1 87 ILE 0.954 0.049 2 0 "[ . 1 .]"
1 88 ILE 1.535 0.093 15 0 "[ . 1 .]"
1 89 LYS 1.549 0.093 15 0 "[ . 1 .]"
1 90 LYS 0.197 0.039 13 0 "[ . 1 .]"
1 91 THR 0.215 0.031 13 0 "[ . 1 .]"
1 92 GLU 0.349 0.113 5 0 "[ . 1 .]"
1 93 GLU 0.365 0.113 5 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS H 1 4 LYS HB2 . . 3.310 2.645 2.385 2.821 . 0 0 "[ . 1 .]" 1
2 1 4 LYS H 1 4 LYS HB3 . . 3.980 3.769 3.590 3.885 . 0 0 "[ . 1 .]" 1
3 1 4 LYS H 1 4 LYS QD . . 5.240 4.517 3.707 5.068 . 0 0 "[ . 1 .]" 1
4 1 4 LYS H 1 4 LYS QG . . 4.090 2.960 2.274 3.335 . 0 0 "[ . 1 .]" 1
5 1 4 LYS HA 1 4 LYS QD . . 4.230 3.998 3.864 4.235 0.005 2 0 "[ . 1 .]" 1
6 1 4 LYS HA 1 4 LYS HG2 . . 3.650 2.488 2.426 2.592 . 0 0 "[ . 1 .]" 1
7 1 4 LYS HA 1 4 LYS QG . . 3.170 2.393 2.356 2.432 . 0 0 "[ . 1 .]" 1
8 1 4 LYS HA 1 4 LYS HG3 . . 3.650 3.125 2.946 3.318 . 0 0 "[ . 1 .]" 1
9 1 4 LYS HA 1 5 ILE H . . 3.310 2.298 2.249 2.342 . 0 0 "[ . 1 .]" 1
10 1 4 LYS HA 1 5 ILE MD . . 5.260 5.245 5.190 5.270 0.010 8 0 "[ . 1 .]" 1
11 1 4 LYS HA 1 68 PHE QE . . 4.290 3.852 3.350 4.192 . 0 0 "[ . 1 .]" 1
12 1 4 LYS HA 1 68 PHE HZ . . 3.930 2.700 2.311 3.101 . 0 0 "[ . 1 .]" 1
13 1 4 LYS HB2 1 4 LYS QD . . 3.320 2.664 2.339 3.090 . 0 0 "[ . 1 .]" 1
14 1 4 LYS HB2 1 5 ILE H . . 4.140 3.678 3.592 3.786 . 0 0 "[ . 1 .]" 1
15 1 4 LYS HB2 1 52 TRP HE3 . . 3.810 2.880 2.760 3.028 . 0 0 "[ . 1 .]" 1
16 1 4 LYS HB3 1 5 ILE H . . 3.520 2.414 2.345 2.539 . 0 0 "[ . 1 .]" 1
17 1 4 LYS HB3 1 52 TRP QB . . 3.850 2.691 2.573 2.867 . 0 0 "[ . 1 .]" 1
18 1 4 LYS HB3 1 52 TRP HE3 . . 3.430 2.547 2.397 2.847 . 0 0 "[ . 1 .]" 1
19 1 4 LYS HB3 1 53 PHE H . . 4.100 3.072 2.880 3.236 . 0 0 "[ . 1 .]" 1
20 1 4 LYS QD 1 52 TRP QB . . 4.840 2.593 2.351 3.495 . 0 0 "[ . 1 .]" 1
21 1 4 LYS QD 1 52 TRP HE3 . . 5.500 4.076 3.790 4.649 . 0 0 "[ . 1 .]" 1
22 1 4 LYS QG 1 5 ILE H . . 4.360 3.704 3.579 3.865 . 0 0 "[ . 1 .]" 1
23 1 4 LYS QG 1 52 TRP QB . . 4.470 4.058 3.914 4.300 . 0 0 "[ . 1 .]" 1
24 1 4 LYS QG 1 52 TRP HE3 . . 5.340 4.530 4.431 4.727 . 0 0 "[ . 1 .]" 1
25 1 4 LYS QG 1 54 ALA HA . . 3.620 3.338 2.448 3.645 0.025 5 0 "[ . 1 .]" 1
26 1 4 LYS QG 1 68 PHE HZ . . 4.940 4.347 3.906 4.734 . 0 0 "[ . 1 .]" 1
27 1 5 ILE H 1 5 ILE MD . . 4.380 3.830 3.470 4.190 . 0 0 "[ . 1 .]" 1
28 1 5 ILE H 1 5 ILE HG12 . . 4.120 3.326 2.506 4.024 . 0 0 "[ . 1 .]" 1
29 1 5 ILE H 1 5 ILE QG . . 3.500 2.441 2.397 2.499 . 0 0 "[ . 1 .]" 1
30 1 5 ILE H 1 5 ILE HG13 . . 4.120 2.771 2.417 3.292 . 0 0 "[ . 1 .]" 1
31 1 5 ILE H 1 5 ILE MG . . 4.210 3.139 3.066 3.186 . 0 0 "[ . 1 .]" 1
32 1 5 ILE H 1 53 PHE H . . 3.940 2.841 2.766 2.978 . 0 0 "[ . 1 .]" 1
33 1 5 ILE H 1 68 PHE HZ . . 4.480 3.421 2.969 3.961 . 0 0 "[ . 1 .]" 1
34 1 5 ILE HA 1 5 ILE MD . . 4.620 3.977 3.747 4.234 . 0 0 "[ . 1 .]" 1
35 1 5 ILE HA 1 5 ILE MG . . 3.450 2.344 2.313 2.370 . 0 0 "[ . 1 .]" 1
36 1 5 ILE HA 1 6 ARG H . . 3.450 2.456 2.416 2.504 . 0 0 "[ . 1 .]" 1
37 1 5 ILE HA 1 52 TRP HE3 . . 3.580 2.908 2.792 2.986 . 0 0 "[ . 1 .]" 1
38 1 5 ILE HA 1 52 TRP HZ3 . . 3.680 2.345 2.296 2.392 . 0 0 "[ . 1 .]" 1
39 1 5 ILE HB 1 6 ARG H . . 3.420 2.337 2.282 2.386 . 0 0 "[ . 1 .]" 1
40 1 5 ILE HB 1 52 TRP HZ3 . . 4.600 4.611 4.590 4.628 0.028 13 0 "[ . 1 .]" 1
41 1 5 ILE HB 1 90 LYS QE . . 3.980 2.309 2.161 2.529 . 0 0 "[ . 1 .]" 1
42 1 5 ILE HB 1 93 GLU HA . . 3.880 3.742 3.462 3.897 0.017 8 0 "[ . 1 .]" 1
43 1 5 ILE MD 1 5 ILE MG . . 3.230 2.686 2.108 3.208 . 0 0 "[ . 1 .]" 1
44 1 5 ILE MD 1 6 ARG H . . 4.570 3.502 2.936 4.091 . 0 0 "[ . 1 .]" 1
45 1 5 ILE MD 1 6 ARG HA . . 5.230 3.954 3.068 4.961 . 0 0 "[ . 1 .]" 1
46 1 5 ILE MD 1 7 ALA MB . . 3.720 2.912 2.490 3.453 . 0 0 "[ . 1 .]" 1
47 1 5 ILE MD 1 53 PHE QD . . 4.710 3.963 3.673 4.484 . 0 0 "[ . 1 .]" 1
48 1 5 ILE MD 1 53 PHE QE . . 3.950 2.811 2.488 3.306 . 0 0 "[ . 1 .]" 1
49 1 5 ILE MD 1 53 PHE HZ . . 4.070 3.024 2.663 3.530 . 0 0 "[ . 1 .]" 1
50 1 5 ILE MD 1 67 ALA MB . . 3.480 2.346 2.133 2.717 . 0 0 "[ . 1 .]" 1
51 1 5 ILE MD 1 68 PHE H . . 4.760 3.911 3.323 4.602 . 0 0 "[ . 1 .]" 1
52 1 5 ILE MD 1 68 PHE HA . . 3.720 2.976 2.184 3.738 0.018 11 0 "[ . 1 .]" 1
53 1 5 ILE MD 1 68 PHE QD . . 4.700 3.032 2.577 3.435 . 0 0 "[ . 1 .]" 1
54 1 5 ILE MD 1 68 PHE QE . . 3.980 3.229 2.889 3.647 . 0 0 "[ . 1 .]" 1
55 1 5 ILE MD 1 68 PHE HZ . . 4.850 4.227 3.857 4.741 . 0 0 "[ . 1 .]" 1
56 1 5 ILE MD 1 90 LYS HA . . 5.500 4.217 3.810 4.801 . 0 0 "[ . 1 .]" 1
57 1 5 ILE MD 1 90 LYS QB . . 5.340 4.028 3.709 4.319 . 0 0 "[ . 1 .]" 1
58 1 5 ILE MD 1 90 LYS QE . . 4.150 2.488 2.007 3.258 . 0 0 "[ . 1 .]" 1
59 1 5 ILE MD 1 90 LYS HG2 . . 4.730 4.003 3.711 4.337 . 0 0 "[ . 1 .]" 1
60 1 5 ILE MD 1 90 LYS QG . . 3.980 2.580 2.337 2.940 . 0 0 "[ . 1 .]" 1
61 1 5 ILE MD 1 90 LYS HG3 . . 4.730 2.613 2.360 2.991 . 0 0 "[ . 1 .]" 1
62 1 5 ILE MD 1 93 GLU QB . . 5.340 4.629 4.348 4.901 . 0 0 "[ . 1 .]" 1
63 1 5 ILE QG 1 6 ARG H . . 4.940 3.751 3.290 4.096 . 0 0 "[ . 1 .]" 1
64 1 5 ILE QG 1 68 PHE QE . . 4.610 2.693 2.437 2.891 . 0 0 "[ . 1 .]" 1
65 1 5 ILE QG 1 68 PHE HZ . . 5.050 2.949 2.741 3.174 . 0 0 "[ . 1 .]" 1
66 1 5 ILE MG 1 6 ARG H . . 4.050 3.716 3.658 3.755 . 0 0 "[ . 1 .]" 1
67 1 5 ILE MG 1 52 TRP HE3 . . 4.590 4.546 4.430 4.599 0.009 8 0 "[ . 1 .]" 1
68 1 5 ILE MG 1 68 PHE HA . . 4.150 3.541 3.119 4.034 . 0 0 "[ . 1 .]" 1
69 1 5 ILE MG 1 68 PHE QD . . 4.750 3.493 3.075 3.705 . 0 0 "[ . 1 .]" 1
70 1 5 ILE MG 1 68 PHE QE . . 3.870 2.846 2.613 3.189 . 0 0 "[ . 1 .]" 1
71 1 5 ILE MG 1 68 PHE HZ . . 4.300 3.280 2.780 3.674 . 0 0 "[ . 1 .]" 1
72 1 5 ILE MG 1 90 LYS QE . . 3.580 2.261 2.131 2.443 . 0 0 "[ . 1 .]" 1
73 1 5 ILE MG 1 93 GLU HA . . 3.920 2.785 2.465 2.992 . 0 0 "[ . 1 .]" 1
74 1 5 ILE MG 1 93 GLU HB2 . . 4.030 2.781 2.582 3.060 . 0 0 "[ . 1 .]" 1
75 1 5 ILE MG 1 93 GLU HB3 . . 4.030 3.040 2.589 3.264 . 0 0 "[ . 1 .]" 1
76 1 5 ILE MG 1 93 GLU QG . . 5.140 4.444 4.203 4.687 . 0 0 "[ . 1 .]" 1
77 1 6 ARG H 1 6 ARG HB2 . . 4.160 3.044 2.978 3.232 . 0 0 "[ . 1 .]" 1
78 1 6 ARG H 1 6 ARG HB3 . . 4.160 2.693 2.615 2.808 . 0 0 "[ . 1 .]" 1
79 1 6 ARG H 1 52 TRP HZ3 . . 4.150 3.974 3.865 4.044 . 0 0 "[ . 1 .]" 1
80 1 6 ARG H 1 92 GLU H . . 4.170 3.054 2.933 3.147 . 0 0 "[ . 1 .]" 1
81 1 6 ARG H 1 93 GLU HA . . 4.220 3.741 3.589 3.819 . 0 0 "[ . 1 .]" 1
82 1 6 ARG HA 1 6 ARG HG2 . . 3.940 3.053 2.941 3.241 . 0 0 "[ . 1 .]" 1
83 1 6 ARG HA 1 6 ARG HG3 . . 3.790 2.566 2.459 2.642 . 0 0 "[ . 1 .]" 1
84 1 6 ARG HA 1 7 ALA H . . 3.290 2.190 2.162 2.227 . 0 0 "[ . 1 .]" 1
85 1 6 ARG HA 1 52 TRP HA . . 3.340 2.741 2.626 2.896 . 0 0 "[ . 1 .]" 1
86 1 6 ARG HA 1 53 PHE H . . 4.440 3.558 3.449 3.636 . 0 0 "[ . 1 .]" 1
87 1 6 ARG HA 1 53 PHE QE . . 4.650 3.671 3.376 3.868 . 0 0 "[ . 1 .]" 1
88 1 6 ARG QB 1 6 ARG QD . . 3.160 2.128 2.102 2.162 . 0 0 "[ . 1 .]" 1
89 1 6 ARG QB 1 92 GLU H . . 3.770 2.759 2.389 3.061 . 0 0 "[ . 1 .]" 1
90 1 6 ARG QB 1 92 GLU HB2 . . 3.630 2.317 2.052 2.688 . 0 0 "[ . 1 .]" 1
91 1 6 ARG QB 1 92 GLU HB3 . . 3.840 2.387 2.167 3.553 . 0 0 "[ . 1 .]" 1
92 1 6 ARG HB2 1 6 ARG HD2 . . 4.110 2.459 2.416 2.569 . 0 0 "[ . 1 .]" 1
93 1 6 ARG HB2 1 6 ARG HD3 . . 4.110 3.137 3.021 3.180 . 0 0 "[ . 1 .]" 1
94 1 6 ARG HB2 1 92 GLU HB3 . . 4.640 3.127 2.765 4.196 . 0 0 "[ . 1 .]" 1
95 1 6 ARG HB3 1 6 ARG HD2 . . 4.110 2.984 2.911 3.166 . 0 0 "[ . 1 .]" 1
96 1 6 ARG HB3 1 6 ARG HD3 . . 4.110 2.542 2.470 2.643 . 0 0 "[ . 1 .]" 1
97 1 6 ARG HB3 1 92 GLU HB3 . . 4.640 2.485 2.254 3.835 . 0 0 "[ . 1 .]" 1
98 1 6 ARG QD 1 51 GLY HA2 . . 4.710 3.424 3.007 3.623 . 0 0 "[ . 1 .]" 1
99 1 6 ARG QD 1 52 TRP HE1 . . 3.860 3.013 2.822 3.132 . 0 0 "[ . 1 .]" 1
100 1 6 ARG QD 1 92 GLU HB2 . . 3.870 2.495 2.139 3.104 . 0 0 "[ . 1 .]" 1
101 1 6 ARG HD2 1 52 TRP HE1 . . 4.660 3.068 2.879 3.183 . 0 0 "[ . 1 .]" 1
102 1 6 ARG HD2 1 92 GLU HB2 . . 4.440 3.573 3.148 4.188 . 0 0 "[ . 1 .]" 1
103 1 6 ARG HD3 1 52 TRP HE1 . . 4.660 4.436 3.642 4.668 0.008 5 0 "[ . 1 .]" 1
104 1 6 ARG HD3 1 92 GLU HB2 . . 4.440 2.560 2.171 3.199 . 0 0 "[ . 1 .]" 1
105 1 6 ARG HE 1 6 ARG HG2 . . 4.020 2.595 2.511 2.737 . 0 0 "[ . 1 .]" 1
106 1 6 ARG HE 1 6 ARG HG3 . . 4.000 2.545 2.484 2.622 . 0 0 "[ . 1 .]" 1
107 1 6 ARG HE 1 51 GLY H . . 4.380 2.927 2.738 3.158 . 0 0 "[ . 1 .]" 1
108 1 6 ARG HE 1 51 GLY HA2 . . 4.350 2.581 2.554 2.623 . 0 0 "[ . 1 .]" 1
109 1 6 ARG HE 1 51 GLY HA3 . . 4.240 4.269 4.256 4.282 0.042 5 0 "[ . 1 .]" 1
110 1 6 ARG HG2 1 7 ALA H . . 3.920 2.661 2.525 2.833 . 0 0 "[ . 1 .]" 1
111 1 6 ARG HG3 1 7 ALA H . . 4.150 2.992 2.700 3.154 . 0 0 "[ . 1 .]" 1
112 1 6 ARG HG3 1 51 GLY HA2 . . 4.220 2.551 2.426 2.738 . 0 0 "[ . 1 .]" 1
113 1 6 ARG HG3 1 51 GLY HA3 . . 4.320 3.945 3.852 4.082 . 0 0 "[ . 1 .]" 1
114 1 6 ARG HG3 1 52 TRP HD1 . . 4.530 4.546 4.532 4.565 0.035 9 0 "[ . 1 .]" 1
115 1 7 ALA H 1 8 SER H . . 5.200 4.389 4.376 4.407 . 0 0 "[ . 1 .]" 1
116 1 7 ALA H 1 50 LEU H . . 5.500 3.764 3.633 4.023 . 0 0 "[ . 1 .]" 1
117 1 7 ALA H 1 50 LEU QB . . 4.820 3.364 3.075 3.534 . 0 0 "[ . 1 .]" 1
118 1 7 ALA H 1 51 GLY H . . 4.790 4.011 3.855 4.244 . 0 0 "[ . 1 .]" 1
119 1 7 ALA H 1 52 TRP HA . . 5.000 4.613 4.449 4.791 . 0 0 "[ . 1 .]" 1
120 1 7 ALA HA 1 8 SER H . . 3.310 2.343 2.301 2.415 . 0 0 "[ . 1 .]" 1
121 1 7 ALA HA 1 53 PHE QE . . 5.420 4.715 4.603 4.929 . 0 0 "[ . 1 .]" 1
122 1 7 ALA HA 1 88 ILE MG . . 4.750 4.307 4.178 4.434 . 0 0 "[ . 1 .]" 1
123 1 7 ALA HA 1 90 LYS HA . . 3.480 2.416 2.325 2.547 . 0 0 "[ . 1 .]" 1
124 1 7 ALA HA 1 91 THR H . . 3.390 2.249 2.152 2.341 . 0 0 "[ . 1 .]" 1
125 1 7 ALA HA 1 91 THR MG . . 3.730 2.691 2.331 2.890 . 0 0 "[ . 1 .]" 1
126 1 7 ALA HA 1 92 GLU H . . 4.550 4.051 3.974 4.136 . 0 0 "[ . 1 .]" 1
127 1 7 ALA MB 1 8 SER H . . 3.510 2.352 2.219 2.416 . 0 0 "[ . 1 .]" 1
128 1 7 ALA MB 1 8 SER HA . . 4.850 4.059 3.992 4.095 . 0 0 "[ . 1 .]" 1
129 1 7 ALA MB 1 9 HIS HA . . 5.320 5.150 5.056 5.224 . 0 0 "[ . 1 .]" 1
130 1 7 ALA MB 1 9 HIS QB . . 4.760 4.193 4.070 4.275 . 0 0 "[ . 1 .]" 1
131 1 7 ALA MB 1 50 LEU QD . . 4.100 3.093 2.618 3.312 . 0 0 "[ . 1 .]" 1
132 1 7 ALA MB 1 53 PHE QE . . 3.290 2.393 2.320 2.552 . 0 0 "[ . 1 .]" 1
133 1 7 ALA MB 1 53 PHE HZ . . 3.460 2.476 2.323 2.707 . 0 0 "[ . 1 .]" 1
134 1 7 ALA MB 1 63 PHE HZ . . 4.190 3.716 3.396 4.035 . 0 0 "[ . 1 .]" 1
135 1 7 ALA MB 1 88 ILE MG . . 3.530 2.196 2.067 2.306 . 0 0 "[ . 1 .]" 1
136 1 7 ALA MB 1 89 LYS H . . 4.120 3.240 3.104 3.349 . 0 0 "[ . 1 .]" 1
137 1 7 ALA MB 1 90 LYS H . . 4.710 4.087 3.965 4.216 . 0 0 "[ . 1 .]" 1
138 1 7 ALA MB 1 90 LYS HA . . 3.680 2.264 2.152 2.339 . 0 0 "[ . 1 .]" 1
139 1 7 ALA MB 1 91 THR H . . 3.860 3.296 3.231 3.371 . 0 0 "[ . 1 .]" 1
140 1 8 SER H 1 8 SER HB2 . . 3.860 2.622 2.556 2.717 . 0 0 "[ . 1 .]" 1
141 1 8 SER H 1 9 HIS H . . 5.150 4.483 4.440 4.511 . 0 0 "[ . 1 .]" 1
142 1 8 SER H 1 88 ILE MG . . 4.170 3.369 3.176 3.499 . 0 0 "[ . 1 .]" 1
143 1 8 SER H 1 89 LYS H . . 3.770 3.002 2.929 3.114 . 0 0 "[ . 1 .]" 1
144 1 8 SER H 1 89 LYS QB . . 4.240 3.597 3.433 3.707 . 0 0 "[ . 1 .]" 1
145 1 8 SER H 1 90 LYS HA . . 4.500 3.595 3.460 3.747 . 0 0 "[ . 1 .]" 1
146 1 8 SER H 1 91 THR H . . 4.230 4.242 4.211 4.261 0.031 13 0 "[ . 1 .]" 1
147 1 8 SER H 1 91 THR MG . . 3.840 2.951 2.669 3.773 . 0 0 "[ . 1 .]" 1
148 1 8 SER HA 1 9 HIS HD2 . . 4.790 4.353 4.099 4.800 0.010 5 0 "[ . 1 .]" 1
149 1 8 SER HA 1 31 PHE QE . . 4.730 4.282 4.156 4.410 . 0 0 "[ . 1 .]" 1
150 1 8 SER HA 1 49 ASP H . . 5.500 4.104 3.897 4.434 . 0 0 "[ . 1 .]" 1
151 1 8 SER HA 1 49 ASP HA . . 3.810 2.328 2.242 2.614 . 0 0 "[ . 1 .]" 1
152 1 8 SER HA 1 50 LEU H . . 3.870 2.953 2.709 3.231 . 0 0 "[ . 1 .]" 1
153 1 8 SER HA 1 50 LEU QD . . 4.720 3.694 3.453 3.887 . 0 0 "[ . 1 .]" 1
154 1 8 SER HA 1 50 LEU HG . . 4.260 3.222 2.951 3.486 . 0 0 "[ . 1 .]" 1
155 1 8 SER HB2 1 9 HIS H . . 4.370 3.939 3.877 4.011 . 0 0 "[ . 1 .]" 1
156 1 8 SER HB2 1 9 HIS HA . . 5.010 4.737 4.603 4.812 . 0 0 "[ . 1 .]" 1
157 1 8 SER HB2 1 31 PHE QE . . 3.710 2.984 2.597 3.150 . 0 0 "[ . 1 .]" 1
158 1 8 SER HB2 1 89 LYS QB . . 4.580 2.925 2.799 3.122 . 0 0 "[ . 1 .]" 1
159 1 8 SER HB2 1 89 LYS HD3 . . 4.480 4.007 3.665 4.272 . 0 0 "[ . 1 .]" 1
160 1 8 SER HB3 1 9 HIS H . . 3.890 2.843 2.771 2.930 . 0 0 "[ . 1 .]" 1
161 1 8 SER HB3 1 9 HIS HA . . 4.820 4.531 4.467 4.577 . 0 0 "[ . 1 .]" 1
162 1 8 SER HB3 1 31 PHE QE . . 3.550 2.712 2.502 3.032 . 0 0 "[ . 1 .]" 1
163 1 9 HIS H 1 9 HIS HD2 . . 3.690 2.392 2.229 2.753 . 0 0 "[ . 1 .]" 1
164 1 9 HIS H 1 10 ILE H . . 5.330 4.491 4.472 4.524 . 0 0 "[ . 1 .]" 1
165 1 9 HIS H 1 48 GLY HA2 . . 4.500 3.334 3.110 3.814 . 0 0 "[ . 1 .]" 1
166 1 9 HIS H 1 48 GLY HA3 . . 4.500 2.691 2.541 2.930 . 0 0 "[ . 1 .]" 1
167 1 9 HIS H 1 50 LEU H . . 5.490 4.663 4.231 5.012 . 0 0 "[ . 1 .]" 1
168 1 9 HIS H 1 50 LEU QD . . 4.840 3.677 3.505 3.794 . 0 0 "[ . 1 .]" 1
169 1 9 HIS H 1 50 LEU HG . . 4.620 3.438 3.333 3.536 . 0 0 "[ . 1 .]" 1
170 1 9 HIS H 1 89 LYS H . . 5.500 5.061 5.001 5.114 . 0 0 "[ . 1 .]" 1
171 1 9 HIS HA 1 9 HIS HD2 . . 4.890 4.056 4.036 4.091 . 0 0 "[ . 1 .]" 1
172 1 9 HIS HA 1 10 ILE H . . 3.470 2.336 2.306 2.377 . 0 0 "[ . 1 .]" 1
173 1 9 HIS HA 1 31 PHE QE . . 4.430 2.927 2.643 3.188 . 0 0 "[ . 1 .]" 1
174 1 9 HIS HA 1 31 PHE HZ . . 3.750 2.362 2.200 2.523 . 0 0 "[ . 1 .]" 1
175 1 9 HIS HA 1 88 ILE HA . . 3.780 2.324 2.197 2.452 . 0 0 "[ . 1 .]" 1
176 1 9 HIS HA 1 89 LYS H . . 4.470 3.551 3.465 3.645 . 0 0 "[ . 1 .]" 1
177 1 9 HIS QB 1 10 ILE H . . 3.640 2.383 2.278 2.440 . 0 0 "[ . 1 .]" 1
178 1 9 HIS QB 1 50 LEU QD . . 3.900 2.490 2.290 2.930 . 0 0 "[ . 1 .]" 1
179 1 9 HIS QB 1 63 PHE QE . . 3.880 2.351 2.203 2.763 . 0 0 "[ . 1 .]" 1
180 1 9 HIS QB 1 63 PHE HZ . . 3.930 2.304 2.174 2.605 . 0 0 "[ . 1 .]" 1
181 1 9 HIS QB 1 87 ILE H . . 4.500 3.723 3.322 4.337 . 0 0 "[ . 1 .]" 1
182 1 9 HIS QB 1 88 ILE HG12 . . 4.170 3.653 3.134 4.182 0.012 8 0 "[ . 1 .]" 1
183 1 9 HIS QB 1 88 ILE MG . . 4.310 2.505 2.298 2.689 . 0 0 "[ . 1 .]" 1
184 1 9 HIS HD2 1 10 ILE H . . 5.120 4.374 4.110 4.548 . 0 0 "[ . 1 .]" 1
185 1 9 HIS HD2 1 10 ILE HA . . 4.320 4.145 3.797 4.331 0.011 9 0 "[ . 1 .]" 1
186 1 9 HIS HD2 1 11 LEU H . . 4.870 4.721 3.787 4.890 0.020 10 0 "[ . 1 .]" 1
187 1 9 HIS HD2 1 50 LEU MD1 . . 4.060 3.915 3.383 4.074 0.014 5 0 "[ . 1 .]" 1
188 1 9 HIS HD2 1 50 LEU QD . . 3.560 3.242 2.988 3.369 . 0 0 "[ . 1 .]" 1
189 1 9 HIS HD2 1 50 LEU MD2 . . 4.060 3.467 3.277 3.661 . 0 0 "[ . 1 .]" 1
190 1 9 HIS HD2 1 50 LEU HG . . 4.210 3.622 3.243 4.228 0.018 14 0 "[ . 1 .]" 1
191 1 10 ILE H 1 10 ILE HB . . 3.930 2.814 2.708 2.906 . 0 0 "[ . 1 .]" 1
192 1 10 ILE H 1 10 ILE MD . . 5.100 4.269 4.171 4.324 . 0 0 "[ . 1 .]" 1
193 1 10 ILE H 1 10 ILE HG12 . . 4.940 4.030 3.948 4.096 . 0 0 "[ . 1 .]" 1
194 1 10 ILE H 1 10 ILE HG13 . . 3.840 3.024 2.900 3.119 . 0 0 "[ . 1 .]" 1
195 1 10 ILE H 1 10 ILE MG . . 4.440 3.949 3.909 3.981 . 0 0 "[ . 1 .]" 1
196 1 10 ILE H 1 31 PHE HZ . . 5.270 3.383 3.212 3.579 . 0 0 "[ . 1 .]" 1
197 1 10 ILE H 1 86 HIS HA . . 4.350 4.255 4.009 4.356 0.006 15 0 "[ . 1 .]" 1
198 1 10 ILE H 1 87 ILE H . . 4.030 2.726 2.453 3.141 . 0 0 "[ . 1 .]" 1
199 1 10 ILE H 1 87 ILE HB . . 4.390 3.405 3.161 3.510 . 0 0 "[ . 1 .]" 1
200 1 10 ILE H 1 87 ILE MD . . 5.170 5.092 4.658 5.213 0.043 4 0 "[ . 1 .]" 1
201 1 10 ILE HA 1 10 ILE MD . . 4.160 3.922 3.902 3.940 . 0 0 "[ . 1 .]" 1
202 1 10 ILE HA 1 10 ILE HG12 . . 3.870 2.610 2.550 2.681 . 0 0 "[ . 1 .]" 1
203 1 10 ILE HA 1 10 ILE HG13 . . 3.480 3.184 3.128 3.265 . 0 0 "[ . 1 .]" 1
204 1 10 ILE HA 1 10 ILE MG . . 3.550 2.422 2.357 2.476 . 0 0 "[ . 1 .]" 1
205 1 10 ILE HA 1 11 LEU H . . 3.480 2.183 2.153 2.223 . 0 0 "[ . 1 .]" 1
206 1 10 ILE HA 1 35 ALA HA . . 4.410 3.624 3.403 3.786 . 0 0 "[ . 1 .]" 1
207 1 10 ILE HA 1 35 ALA MB . . 4.600 3.737 3.581 3.874 . 0 0 "[ . 1 .]" 1
208 1 10 ILE HA 1 39 SER HB2 . . 4.320 2.342 2.174 2.553 . 0 0 "[ . 1 .]" 1
209 1 10 ILE HA 1 39 SER QB . . 3.570 2.322 2.160 2.527 . 0 0 "[ . 1 .]" 1
210 1 10 ILE HA 1 39 SER HB3 . . 4.320 3.841 3.711 4.024 . 0 0 "[ . 1 .]" 1
211 1 10 ILE HB 1 10 ILE MD . . 3.440 2.482 2.459 2.503 . 0 0 "[ . 1 .]" 1
212 1 10 ILE HB 1 87 ILE H . . 4.330 3.489 3.301 3.696 . 0 0 "[ . 1 .]" 1
213 1 10 ILE HB 1 87 ILE HA . . 5.440 5.067 4.987 5.167 . 0 0 "[ . 1 .]" 1
214 1 10 ILE MD 1 10 ILE MG . . 2.990 2.099 2.092 2.105 . 0 0 "[ . 1 .]" 1
215 1 10 ILE MD 1 25 LEU MD1 . . 4.500 3.278 2.994 3.640 . 0 0 "[ . 1 .]" 1
216 1 10 ILE MD 1 25 LEU QD . . 3.360 3.005 2.749 3.290 . 0 0 "[ . 1 .]" 1
217 1 10 ILE MD 1 25 LEU MD2 . . 4.500 3.496 3.094 3.751 . 0 0 "[ . 1 .]" 1
218 1 10 ILE MD 1 31 PHE HA . . 4.090 3.012 2.835 3.149 . 0 0 "[ . 1 .]" 1
219 1 10 ILE MD 1 31 PHE QD . . 4.580 3.350 3.261 3.403 . 0 0 "[ . 1 .]" 1
220 1 10 ILE MD 1 31 PHE QE . . 4.050 3.237 3.125 3.330 . 0 0 "[ . 1 .]" 1
221 1 10 ILE MD 1 31 PHE HZ . . 4.400 3.673 3.547 3.772 . 0 0 "[ . 1 .]" 1
222 1 10 ILE MD 1 34 LEU H . . 5.190 4.204 4.062 4.286 . 0 0 "[ . 1 .]" 1
223 1 10 ILE MD 1 34 LEU HA . . 5.500 4.232 4.113 4.365 . 0 0 "[ . 1 .]" 1
224 1 10 ILE MD 1 34 LEU HB2 . . 3.460 2.499 2.379 2.691 . 0 0 "[ . 1 .]" 1
225 1 10 ILE MD 1 34 LEU HB3 . . 3.760 2.540 2.366 2.748 . 0 0 "[ . 1 .]" 1
226 1 10 ILE MD 1 35 ALA H . . 4.190 3.079 2.929 3.169 . 0 0 "[ . 1 .]" 1
227 1 10 ILE MD 1 35 ALA HA . . 3.920 3.105 2.901 3.237 . 0 0 "[ . 1 .]" 1
228 1 10 ILE MD 1 35 ALA MB . . 3.920 3.107 2.938 3.249 . 0 0 "[ . 1 .]" 1
229 1 10 ILE MD 1 38 TYR QB . . 5.130 3.326 3.150 3.539 . 0 0 "[ . 1 .]" 1
230 1 10 ILE MD 1 87 ILE HB . . 4.040 3.388 3.163 3.702 . 0 0 "[ . 1 .]" 1
231 1 10 ILE MD 1 87 ILE MG . . 4.070 3.075 2.554 3.533 . 0 0 "[ . 1 .]" 1
232 1 10 ILE HG12 1 31 PHE QE . . 4.710 3.949 3.791 4.103 . 0 0 "[ . 1 .]" 1
233 1 10 ILE HG12 1 31 PHE HZ . . 4.690 4.540 4.359 4.697 0.007 4 0 "[ . 1 .]" 1
234 1 10 ILE HG12 1 35 ALA H . . 4.880 3.636 3.506 3.830 . 0 0 "[ . 1 .]" 1
235 1 10 ILE HG12 1 35 ALA HA . . 3.430 2.260 2.200 2.349 . 0 0 "[ . 1 .]" 1
236 1 10 ILE HG12 1 35 ALA MB . . 3.640 2.395 2.296 2.556 . 0 0 "[ . 1 .]" 1
237 1 10 ILE HG12 1 39 SER QB . . 4.430 3.097 2.932 3.359 . 0 0 "[ . 1 .]" 1
238 1 10 ILE HG13 1 10 ILE MG . . 3.280 3.245 3.238 3.255 . 0 0 "[ . 1 .]" 1
239 1 10 ILE HG13 1 31 PHE QE . . 3.890 2.911 2.802 3.099 . 0 0 "[ . 1 .]" 1
240 1 10 ILE HG13 1 31 PHE HZ . . 4.720 2.829 2.720 2.966 . 0 0 "[ . 1 .]" 1
241 1 10 ILE HG13 1 35 ALA HA . . 4.690 4.005 3.918 4.109 . 0 0 "[ . 1 .]" 1
242 1 10 ILE HG13 1 87 ILE H . . 5.220 5.053 4.699 5.227 0.007 9 0 "[ . 1 .]" 1
243 1 10 ILE MG 1 11 LEU H . . 3.860 3.133 2.761 3.417 . 0 0 "[ . 1 .]" 1
244 1 10 ILE MG 1 21 VAL QG . . 4.010 2.222 2.078 2.437 . 0 0 "[ . 1 .]" 1
245 1 10 ILE MG 1 35 ALA H . . 5.240 4.570 4.371 4.801 . 0 0 "[ . 1 .]" 1
246 1 10 ILE MG 1 35 ALA HA . . 3.760 2.656 2.449 2.798 . 0 0 "[ . 1 .]" 1
247 1 10 ILE MG 1 35 ALA MB . . 4.100 3.778 3.675 3.904 . 0 0 "[ . 1 .]" 1
248 1 10 ILE MG 1 38 TYR H . . 5.180 3.751 3.605 3.893 . 0 0 "[ . 1 .]" 1
249 1 10 ILE MG 1 38 TYR HA . . 4.990 4.416 4.304 4.528 . 0 0 "[ . 1 .]" 1
250 1 10 ILE MG 1 38 TYR QB . . 3.580 2.411 2.290 2.541 . 0 0 "[ . 1 .]" 1
251 1 10 ILE MG 1 38 TYR QD . . 4.240 4.092 3.879 4.252 0.012 15 0 "[ . 1 .]" 1
252 1 10 ILE MG 1 39 SER H . . 4.350 2.657 2.574 2.805 . 0 0 "[ . 1 .]" 1
253 1 10 ILE MG 1 39 SER HB2 . . 4.120 2.325 2.215 2.448 . 0 0 "[ . 1 .]" 1
254 1 10 ILE MG 1 39 SER QB . . 3.510 2.305 2.199 2.424 . 0 0 "[ . 1 .]" 1
255 1 10 ILE MG 1 39 SER HB3 . . 4.120 3.801 3.717 3.896 . 0 0 "[ . 1 .]" 1
256 1 10 ILE MG 1 87 ILE H . . 4.720 4.422 4.315 4.563 . 0 0 "[ . 1 .]" 1
257 1 10 ILE MG 1 87 ILE HB . . 4.870 3.688 3.518 3.801 . 0 0 "[ . 1 .]" 1
258 1 11 LEU H 1 11 LEU HB2 . . 4.120 2.698 2.456 3.116 . 0 0 "[ . 1 .]" 1
259 1 11 LEU H 1 11 LEU QB . . 3.420 2.340 2.236 2.466 . 0 0 "[ . 1 .]" 1
260 1 11 LEU H 1 11 LEU HB3 . . 4.120 2.585 2.453 2.700 . 0 0 "[ . 1 .]" 1
261 1 11 LEU H 1 39 SER QB . . 3.670 3.032 2.936 3.225 . 0 0 "[ . 1 .]" 1
262 1 11 LEU H 1 40 THR H . . 4.440 3.149 2.866 3.591 . 0 0 "[ . 1 .]" 1
263 1 11 LEU H 1 41 ASP H . . 4.070 3.699 3.487 4.081 0.011 11 0 "[ . 1 .]" 1
264 1 11 LEU HA 1 11 LEU MD1 . . 4.050 3.727 3.474 3.821 . 0 0 "[ . 1 .]" 1
265 1 11 LEU HA 1 11 LEU QD . . 3.240 2.792 2.236 3.002 . 0 0 "[ . 1 .]" 1
266 1 11 LEU HA 1 11 LEU MD2 . . 4.050 2.893 2.263 3.161 . 0 0 "[ . 1 .]" 1
267 1 11 LEU HA 1 12 VAL H . . 3.290 2.158 2.093 2.202 . 0 0 "[ . 1 .]" 1
268 1 11 LEU HA 1 12 VAL MG1 . . 3.930 3.623 3.527 3.767 . 0 0 "[ . 1 .]" 1
269 1 11 LEU HA 1 12 VAL MG2 . . 4.250 3.745 3.587 3.945 . 0 0 "[ . 1 .]" 1
270 1 11 LEU HA 1 86 HIS HA . . 3.710 2.412 2.334 2.549 . 0 0 "[ . 1 .]" 1
271 1 11 LEU QB 1 41 ASP H . . 3.750 2.950 2.729 3.440 . 0 0 "[ . 1 .]" 1
272 1 11 LEU QB 1 41 ASP QB . . 3.350 2.397 2.119 2.552 . 0 0 "[ . 1 .]" 1
273 1 11 LEU QB 1 86 HIS HA . . 5.340 4.026 3.332 4.360 . 0 0 "[ . 1 .]" 1
274 1 11 LEU QD 1 12 VAL H . . 3.580 2.490 1.988 2.712 . 0 0 "[ . 1 .]" 1
275 1 11 LEU QD 1 12 VAL MG1 . . 4.310 4.184 3.862 4.271 . 0 0 "[ . 1 .]" 1
276 1 11 LEU QD 1 40 THR MG . . 4.480 3.608 2.124 3.951 . 0 0 "[ . 1 .]" 1
277 1 11 LEU QD 1 41 ASP H . . 4.110 3.682 3.404 4.028 . 0 0 "[ . 1 .]" 1
278 1 11 LEU QD 1 41 ASP QB . . 3.440 2.414 2.228 2.914 . 0 0 "[ . 1 .]" 1
279 1 11 LEU QD 1 83 TYR HA . . 4.880 4.377 4.158 4.581 . 0 0 "[ . 1 .]" 1
280 1 11 LEU QD 1 83 TYR QB . . 3.120 2.413 2.196 2.576 . 0 0 "[ . 1 .]" 1
281 1 11 LEU QD 1 83 TYR QD . . 4.350 3.455 3.078 4.033 . 0 0 "[ . 1 .]" 1
282 1 11 LEU QD 1 84 GLY H . . 4.910 4.053 3.233 4.384 . 0 0 "[ . 1 .]" 1
283 1 11 LEU QD 1 84 GLY QA . . 3.510 3.222 2.438 3.516 0.006 13 0 "[ . 1 .]" 1
284 1 11 LEU QD 1 85 TYR H . . 3.920 3.302 2.518 3.653 . 0 0 "[ . 1 .]" 1
285 1 11 LEU QD 1 86 HIS HA . . 4.640 4.016 2.579 4.509 . 0 0 "[ . 1 .]" 1
286 1 11 LEU QD 1 86 HIS HD2 . . 4.140 3.690 2.863 4.137 . 0 0 "[ . 1 .]" 1
287 1 11 LEU MD1 1 12 VAL H . . 4.780 4.528 3.110 4.783 0.003 14 0 "[ . 1 .]" 1
288 1 11 LEU MD1 1 83 TYR HB2 . . 4.050 3.136 2.829 3.757 . 0 0 "[ . 1 .]" 1
289 1 11 LEU MD1 1 83 TYR HB3 . . 4.050 3.209 2.831 3.441 . 0 0 "[ . 1 .]" 1
290 1 11 LEU MD1 1 83 TYR QD . . 4.950 3.681 3.174 4.770 . 0 0 "[ . 1 .]" 1
291 1 11 LEU MD2 1 12 VAL H . . 4.780 2.503 2.011 2.728 . 0 0 "[ . 1 .]" 1
292 1 11 LEU MD2 1 83 TYR HB2 . . 4.050 2.992 2.779 3.245 . 0 0 "[ . 1 .]" 1
293 1 11 LEU MD2 1 83 TYR HB3 . . 4.050 2.965 2.612 3.483 . 0 0 "[ . 1 .]" 1
294 1 11 LEU MD2 1 83 TYR QD . . 4.950 4.334 4.137 4.556 . 0 0 "[ . 1 .]" 1
295 1 11 LEU HG 1 12 VAL H . . 4.450 3.611 3.261 4.508 0.058 1 0 "[ . 1 .]" 1
296 1 11 LEU HG 1 84 GLY H . . 5.500 5.502 5.374 5.519 0.019 3 0 "[ . 1 .]" 1
297 1 12 VAL H 1 12 VAL MG1 . . 3.730 2.910 2.833 3.010 . 0 0 "[ . 1 .]" 1
298 1 12 VAL H 1 12 VAL MG2 . . 3.640 2.309 2.241 2.366 . 0 0 "[ . 1 .]" 1
299 1 12 VAL H 1 85 TYR H . . 4.100 3.184 3.006 3.368 . 0 0 "[ . 1 .]" 1
300 1 12 VAL H 1 86 HIS HA . . 4.640 3.437 3.297 3.667 . 0 0 "[ . 1 .]" 1
301 1 12 VAL HA 1 12 VAL MG1 . . 3.200 2.414 2.386 2.480 . 0 0 "[ . 1 .]" 1
302 1 12 VAL HA 1 13 ALA H . . 3.260 2.281 2.243 2.329 . 0 0 "[ . 1 .]" 1
303 1 12 VAL HA 1 13 ALA MB . . 4.410 3.975 3.944 4.018 . 0 0 "[ . 1 .]" 1
304 1 12 VAL HA 1 40 THR MG . . 3.590 2.776 2.407 3.342 . 0 0 "[ . 1 .]" 1
305 1 12 VAL HB 1 13 ALA H . . 3.440 2.663 2.544 2.740 . 0 0 "[ . 1 .]" 1
306 1 12 VAL HB 1 13 ALA MB . . 5.020 4.178 4.074 4.263 . 0 0 "[ . 1 .]" 1
307 1 12 VAL HB 1 14 ASP H . . 3.980 2.873 2.712 2.973 . 0 0 "[ . 1 .]" 1
308 1 12 VAL HB 1 17 THR HB . . 3.490 2.269 2.208 2.393 . 0 0 "[ . 1 .]" 1
309 1 12 VAL HB 1 17 THR MG . . 3.450 2.747 2.464 3.029 . 0 0 "[ . 1 .]" 1
310 1 12 VAL MG1 1 13 ALA H . . 4.000 3.834 3.784 3.883 . 0 0 "[ . 1 .]" 1
311 1 12 VAL MG1 1 15 LYS HA . . 5.500 5.493 5.327 5.533 0.033 10 0 "[ . 1 .]" 1
312 1 12 VAL MG1 1 17 THR HB . . 3.510 2.622 2.414 2.921 . 0 0 "[ . 1 .]" 1
313 1 12 VAL MG1 1 17 THR MG . . 2.930 2.091 2.059 2.137 . 0 0 "[ . 1 .]" 1
314 1 12 VAL MG1 1 18 ALA HA . . 3.590 3.456 3.110 3.592 0.002 5 0 "[ . 1 .]" 1
315 1 12 VAL MG1 1 21 VAL QG . . 3.800 3.147 2.951 3.268 . 0 0 "[ . 1 .]" 1
316 1 12 VAL MG1 1 38 TYR HA . . 4.420 4.123 4.055 4.181 . 0 0 "[ . 1 .]" 1
317 1 12 VAL MG1 1 38 TYR QB . . 2.970 2.875 2.750 2.973 0.003 1 0 "[ . 1 .]" 1
318 1 12 VAL MG1 1 38 TYR QD . . 3.860 3.874 3.857 3.892 0.032 13 0 "[ . 1 .]" 1
319 1 12 VAL MG1 1 40 THR MG . . 4.540 3.504 3.006 4.493 . 0 0 "[ . 1 .]" 1
320 1 12 VAL MG1 1 86 HIS HA . . 5.340 4.561 4.333 4.979 . 0 0 "[ . 1 .]" 1
321 1 12 VAL MG2 1 13 ALA H . . 3.950 3.641 3.493 3.728 . 0 0 "[ . 1 .]" 1
322 1 12 VAL MG2 1 13 ALA HA . . 4.680 4.499 4.341 4.585 . 0 0 "[ . 1 .]" 1
323 1 12 VAL MG2 1 14 ASP H . . 3.590 2.701 2.474 2.844 . 0 0 "[ . 1 .]" 1
324 1 12 VAL MG2 1 17 THR H . . 4.510 3.723 3.529 4.012 . 0 0 "[ . 1 .]" 1
325 1 12 VAL MG2 1 17 THR HB . . 3.850 2.378 2.276 2.549 . 0 0 "[ . 1 .]" 1
326 1 12 VAL MG2 1 17 THR MG . . 3.530 3.307 3.249 3.391 . 0 0 "[ . 1 .]" 1
327 1 12 VAL MG2 1 18 ALA H . . 3.660 2.467 2.368 2.617 . 0 0 "[ . 1 .]" 1
328 1 12 VAL MG2 1 18 ALA HA . . 3.640 3.193 3.003 3.472 . 0 0 "[ . 1 .]" 1
329 1 12 VAL MG2 1 18 ALA MB . . 3.360 2.190 2.085 2.267 . 0 0 "[ . 1 .]" 1
330 1 12 VAL MG2 1 85 TYR H . . 4.140 3.156 3.008 3.287 . 0 0 "[ . 1 .]" 1
331 1 12 VAL MG2 1 85 TYR HB2 . . 3.720 2.182 2.057 2.265 . 0 0 "[ . 1 .]" 1
332 1 12 VAL MG2 1 85 TYR HB3 . . 3.720 3.139 2.755 3.395 . 0 0 "[ . 1 .]" 1
333 1 12 VAL MG2 1 85 TYR QD . . 4.600 3.531 3.190 3.866 . 0 0 "[ . 1 .]" 1
334 1 13 ALA H 1 13 ALA MB . . 3.260 2.192 2.185 2.202 . 0 0 "[ . 1 .]" 1
335 1 13 ALA H 1 14 ASP H . . 3.570 2.729 2.676 2.806 . 0 0 "[ . 1 .]" 1
336 1 13 ALA H 1 40 THR MG . . 4.840 3.327 2.713 4.056 . 0 0 "[ . 1 .]" 1
337 1 13 ALA HA 1 84 GLY QA . . 5.050 3.058 2.907 3.191 . 0 0 "[ . 1 .]" 1
338 1 13 ALA HA 1 85 TYR H . . 5.290 3.994 3.916 4.096 . 0 0 "[ . 1 .]" 1
339 1 13 ALA MB 1 14 ASP H . . 3.740 2.922 2.805 3.037 . 0 0 "[ . 1 .]" 1
340 1 13 ALA MB 1 14 ASP QB . . 3.900 3.325 3.234 3.628 . 0 0 "[ . 1 .]" 1
341 1 13 ALA MB 1 84 GLY QA . . 5.340 4.388 4.261 4.495 . 0 0 "[ . 1 .]" 1
342 1 14 ASP H 1 14 ASP HB2 . . 4.160 3.367 3.231 3.949 . 0 0 "[ . 1 .]" 1
343 1 14 ASP H 1 14 ASP HB3 . . 4.160 2.983 2.890 3.451 . 0 0 "[ . 1 .]" 1
344 1 14 ASP H 1 15 LYS H . . 4.940 4.365 4.327 4.436 . 0 0 "[ . 1 .]" 1
345 1 14 ASP H 1 16 LYS H . . 5.500 5.056 4.900 5.196 . 0 0 "[ . 1 .]" 1
346 1 14 ASP H 1 17 THR H . . 4.890 4.130 3.891 4.263 . 0 0 "[ . 1 .]" 1
347 1 14 ASP H 1 17 THR HB . . 3.920 3.578 3.128 3.906 . 0 0 "[ . 1 .]" 1
348 1 14 ASP H 1 18 ALA H . . 5.300 4.874 4.565 5.088 . 0 0 "[ . 1 .]" 1
349 1 14 ASP HA 1 15 LYS HA . . 4.650 4.355 4.281 4.410 . 0 0 "[ . 1 .]" 1
350 1 14 ASP HA 1 15 LYS QB . . 4.820 4.068 3.998 4.185 . 0 0 "[ . 1 .]" 1
351 1 14 ASP HA 1 85 TYR QD . . 4.030 2.455 2.344 2.804 . 0 0 "[ . 1 .]" 1
352 1 14 ASP HA 1 85 TYR QE . . 4.300 3.037 2.597 3.753 . 0 0 "[ . 1 .]" 1
353 1 14 ASP QB 1 15 LYS H . . 3.700 3.443 2.590 3.633 . 0 0 "[ . 1 .]" 1
354 1 14 ASP QB 1 16 LYS H . . 3.870 3.258 2.737 3.461 . 0 0 "[ . 1 .]" 1
355 1 15 LYS H 1 15 LYS HB2 . . 3.690 2.482 2.324 3.541 . 0 0 "[ . 1 .]" 1
356 1 15 LYS H 1 15 LYS QB . . 3.220 2.192 2.154 2.267 . 0 0 "[ . 1 .]" 1
357 1 15 LYS H 1 15 LYS HB3 . . 3.690 2.504 2.294 2.588 . 0 0 "[ . 1 .]" 1
358 1 15 LYS H 1 15 LYS QG . . 4.530 3.864 2.461 3.985 . 0 0 "[ . 1 .]" 1
359 1 15 LYS H 1 85 TYR QE . . 4.360 2.945 2.688 3.437 . 0 0 "[ . 1 .]" 1
360 1 15 LYS HA 1 15 LYS HG2 . . 4.070 3.231 3.089 3.762 . 0 0 "[ . 1 .]" 1
361 1 15 LYS HA 1 15 LYS QG . . 3.440 2.486 2.383 3.361 . 0 0 "[ . 1 .]" 1
362 1 15 LYS HA 1 15 LYS HG3 . . 4.070 2.597 2.462 3.784 . 0 0 "[ . 1 .]" 1
363 1 15 LYS HA 1 17 THR H . . 4.750 3.932 3.778 4.134 . 0 0 "[ . 1 .]" 1
364 1 15 LYS HA 1 18 ALA H . . 4.190 2.886 2.812 3.074 . 0 0 "[ . 1 .]" 1
365 1 15 LYS HA 1 18 ALA MB . . 3.560 2.257 2.143 2.417 . 0 0 "[ . 1 .]" 1
366 1 15 LYS HA 1 85 TYR QB . . 4.140 3.105 2.912 3.399 . 0 0 "[ . 1 .]" 1
367 1 15 LYS HA 1 85 TYR QD . . 4.480 3.776 3.682 3.896 . 0 0 "[ . 1 .]" 1
368 1 15 LYS HA 1 85 TYR QE . . 4.740 4.624 4.370 4.742 0.002 5 0 "[ . 1 .]" 1
369 1 15 LYS HA 1 87 ILE MD . . 5.500 5.523 5.507 5.549 0.049 2 0 "[ . 1 .]" 1
370 1 15 LYS QB 1 16 LYS H . . 4.060 3.101 2.954 3.722 . 0 0 "[ . 1 .]" 1
371 1 15 LYS QB 1 85 TYR QD . . 4.480 3.269 3.086 3.500 . 0 0 "[ . 1 .]" 1
372 1 15 LYS QB 1 85 TYR QE . . 3.550 3.014 2.972 3.091 . 0 0 "[ . 1 .]" 1
373 1 15 LYS HB2 1 85 TYR QD . . 5.220 3.390 3.144 4.058 . 0 0 "[ . 1 .]" 1
374 1 15 LYS HB2 1 85 TYR QE . . 4.050 3.164 3.055 4.068 0.018 1 0 "[ . 1 .]" 1
375 1 15 LYS HB3 1 85 TYR QD . . 5.220 4.559 3.414 4.853 . 0 0 "[ . 1 .]" 1
376 1 15 LYS HB3 1 85 TYR QE . . 4.050 4.013 3.203 4.085 0.035 4 0 "[ . 1 .]" 1
377 1 15 LYS QG 1 17 THR H . . 5.130 5.085 4.792 5.172 0.042 8 0 "[ . 1 .]" 1
378 1 15 LYS QG 1 19 GLU QG . . 3.460 2.647 2.237 3.481 0.021 12 0 "[ . 1 .]" 1
379 1 15 LYS QG 1 85 TYR QB . . 5.180 4.150 3.682 5.186 0.006 1 0 "[ . 1 .]" 1
380 1 16 LYS H 1 16 LYS HB2 . . 3.810 2.449 2.322 2.582 . 0 0 "[ . 1 .]" 1
381 1 16 LYS H 1 16 LYS QB . . 3.160 2.376 2.176 2.530 . 0 0 "[ . 1 .]" 1
382 1 16 LYS H 1 16 LYS HB3 . . 3.810 3.367 2.550 3.663 . 0 0 "[ . 1 .]" 1
383 1 16 LYS H 1 16 LYS QD . . 4.600 3.878 3.120 4.620 0.020 12 0 "[ . 1 .]" 1
384 1 16 LYS H 1 16 LYS HG2 . . 5.030 3.283 2.205 4.613 . 0 0 "[ . 1 .]" 1
385 1 16 LYS H 1 16 LYS QG . . 4.330 2.823 2.189 4.090 . 0 0 "[ . 1 .]" 1
386 1 16 LYS H 1 16 LYS HG3 . . 5.030 3.597 2.394 4.570 . 0 0 "[ . 1 .]" 1
387 1 16 LYS H 1 18 ALA H . . 5.040 4.193 4.078 4.301 . 0 0 "[ . 1 .]" 1
388 1 16 LYS HA 1 16 LYS QE . . 3.700 3.313 2.408 3.742 0.042 13 0 "[ . 1 .]" 1
389 1 16 LYS HA 1 16 LYS QG . . 3.190 2.702 2.248 3.093 . 0 0 "[ . 1 .]" 1
390 1 16 LYS QB 1 17 THR H . . 3.420 2.871 2.739 3.008 . 0 0 "[ . 1 .]" 1
391 1 16 LYS HB2 1 17 THR H . . 3.970 3.271 2.835 3.978 0.008 14 0 "[ . 1 .]" 1
392 1 16 LYS HB3 1 17 THR H . . 3.970 3.559 2.791 3.954 . 0 0 "[ . 1 .]" 1
393 1 16 LYS QG 1 17 THR H . . 4.700 4.236 3.812 4.439 . 0 0 "[ . 1 .]" 1
394 1 16 LYS HG2 1 17 THR H . . 5.500 4.788 3.996 5.188 . 0 0 "[ . 1 .]" 1
395 1 16 LYS HG3 1 17 THR H . . 5.500 4.879 4.112 5.399 . 0 0 "[ . 1 .]" 1
396 1 17 THR H 1 17 THR HB . . 3.590 2.615 2.562 2.700 . 0 0 "[ . 1 .]" 1
397 1 17 THR H 1 17 THR MG . . 3.950 3.830 3.799 3.857 . 0 0 "[ . 1 .]" 1
398 1 17 THR H 1 18 ALA H . . 3.530 2.513 2.376 2.643 . 0 0 "[ . 1 .]" 1
399 1 17 THR HA 1 17 THR MG . . 3.270 2.377 2.336 2.402 . 0 0 "[ . 1 .]" 1
400 1 17 THR HA 1 20 GLU H . . 4.070 3.522 3.284 3.793 . 0 0 "[ . 1 .]" 1
401 1 17 THR HA 1 20 GLU HB3 . . 3.350 3.072 2.777 3.368 0.018 15 0 "[ . 1 .]" 1
402 1 17 THR HB 1 18 ALA H . . 3.840 2.678 2.539 2.757 . 0 0 "[ . 1 .]" 1
403 1 17 THR HB 1 18 ALA MB . . 4.480 3.984 3.849 4.099 . 0 0 "[ . 1 .]" 1
404 1 17 THR MG 1 18 ALA H . . 4.200 3.764 3.686 3.824 . 0 0 "[ . 1 .]" 1
405 1 17 THR MG 1 18 ALA HA . . 4.470 3.926 3.832 3.996 . 0 0 "[ . 1 .]" 1
406 1 17 THR MG 1 21 VAL QG . . 3.610 2.841 2.583 3.108 . 0 0 "[ . 1 .]" 1
407 1 17 THR MG 1 38 TYR HA . . 4.230 3.593 3.505 3.663 . 0 0 "[ . 1 .]" 1
408 1 17 THR MG 1 38 TYR QB . . 4.570 2.706 2.611 2.747 . 0 0 "[ . 1 .]" 1
409 1 17 THR MG 1 38 TYR QD . . 3.340 2.087 2.057 2.117 . 0 0 "[ . 1 .]" 1
410 1 17 THR MG 1 38 TYR QE . . 3.510 3.421 3.301 3.497 . 0 0 "[ . 1 .]" 1
411 1 17 THR MG 1 39 SER H . . 5.500 5.550 5.538 5.565 0.065 6 0 "[ . 1 .]" 1
412 1 18 ALA H 1 18 ALA MB . . 3.290 2.223 2.201 2.239 . 0 0 "[ . 1 .]" 1
413 1 18 ALA H 1 19 GLU H . . 3.570 2.795 2.735 2.916 . 0 0 "[ . 1 .]" 1
414 1 18 ALA H 1 85 TYR QB . . 5.180 4.408 4.291 4.557 . 0 0 "[ . 1 .]" 1
415 1 18 ALA H 1 87 ILE MD . . 5.060 4.472 4.265 4.577 . 0 0 "[ . 1 .]" 1
416 1 18 ALA HA 1 21 VAL H . . 4.100 3.386 3.223 3.548 . 0 0 "[ . 1 .]" 1
417 1 18 ALA HA 1 21 VAL HB . . 4.440 2.650 2.520 2.952 . 0 0 "[ . 1 .]" 1
418 1 18 ALA HA 1 21 VAL MG1 . . 4.740 4.012 3.896 4.248 . 0 0 "[ . 1 .]" 1
419 1 18 ALA HA 1 21 VAL QG . . 3.810 3.123 2.966 3.215 . 0 0 "[ . 1 .]" 1
420 1 18 ALA HA 1 21 VAL MG2 . . 4.740 3.261 3.053 3.389 . 0 0 "[ . 1 .]" 1
421 1 18 ALA HA 1 87 ILE MD . . 3.690 2.211 2.072 2.388 . 0 0 "[ . 1 .]" 1
422 1 18 ALA MB 1 19 GLU H . . 3.620 2.543 2.449 2.646 . 0 0 "[ . 1 .]" 1
423 1 18 ALA MB 1 19 GLU HA . . 4.760 3.989 3.858 4.036 . 0 0 "[ . 1 .]" 1
424 1 18 ALA MB 1 78 PRO QB . . 3.290 2.540 2.173 2.789 . 0 0 "[ . 1 .]" 1
425 1 18 ALA MB 1 85 TYR HB2 . . 3.580 3.320 2.993 3.582 0.002 15 0 "[ . 1 .]" 1
426 1 18 ALA MB 1 85 TYR HB3 . . 3.580 3.098 2.877 3.398 . 0 0 "[ . 1 .]" 1
427 1 18 ALA MB 1 85 TYR QD . . 4.360 4.074 3.768 4.374 0.014 15 0 "[ . 1 .]" 1
428 1 18 ALA MB 1 87 ILE MD . . 3.100 2.171 2.133 2.243 . 0 0 "[ . 1 .]" 1
429 1 19 GLU H 1 19 GLU HB2 . . 3.860 2.652 2.220 3.674 . 0 0 "[ . 1 .]" 1
430 1 19 GLU H 1 19 GLU QB . . 3.330 2.401 2.197 2.604 . 0 0 "[ . 1 .]" 1
431 1 19 GLU H 1 19 GLU HB3 . . 3.860 3.394 2.502 3.625 . 0 0 "[ . 1 .]" 1
432 1 19 GLU H 1 19 GLU HG2 . . 4.190 3.256 2.227 3.711 . 0 0 "[ . 1 .]" 1
433 1 19 GLU H 1 19 GLU QG . . 3.390 2.380 2.203 2.659 . 0 0 "[ . 1 .]" 1
434 1 19 GLU H 1 19 GLU HG3 . . 4.190 2.711 2.367 3.718 . 0 0 "[ . 1 .]" 1
435 1 19 GLU H 1 20 GLU H . . 3.600 2.852 2.782 2.907 . 0 0 "[ . 1 .]" 1
436 1 19 GLU HA 1 19 GLU QG . . 3.460 2.548 2.292 3.391 . 0 0 "[ . 1 .]" 1
437 1 19 GLU HA 1 22 GLU H . . 4.410 3.410 3.101 3.614 . 0 0 "[ . 1 .]" 1
438 1 19 GLU HB2 1 20 GLU H . . 4.280 3.164 2.807 4.278 . 0 0 "[ . 1 .]" 1
439 1 19 GLU HB3 1 20 GLU H . . 4.280 3.797 3.323 4.297 0.017 4 0 "[ . 1 .]" 1
440 1 19 GLU QG 1 20 GLU H . . 4.730 4.034 2.534 4.423 . 0 0 "[ . 1 .]" 1
441 1 20 GLU H 1 20 GLU HB3 . . 2.950 2.512 2.402 2.673 . 0 0 "[ . 1 .]" 1
442 1 20 GLU H 1 20 GLU HG2 . . 4.790 4.496 4.371 4.654 . 0 0 "[ . 1 .]" 1
443 1 20 GLU H 1 20 GLU QG . . 4.060 4.007 3.970 4.069 0.009 8 0 "[ . 1 .]" 1
444 1 20 GLU H 1 20 GLU HG3 . . 4.790 4.504 4.485 4.553 . 0 0 "[ . 1 .]" 1
445 1 20 GLU H 1 21 VAL H . . 3.320 2.630 2.374 2.737 . 0 0 "[ . 1 .]" 1
446 1 20 GLU H 1 21 VAL QG . . 4.690 4.211 4.048 4.330 . 0 0 "[ . 1 .]" 1
447 1 20 GLU H 1 22 GLU H . . 4.680 4.122 3.840 4.239 . 0 0 "[ . 1 .]" 1
448 1 20 GLU HA 1 20 GLU HB2 . . 2.530 2.448 2.408 2.556 0.026 14 0 "[ . 1 .]" 1
449 1 20 GLU HA 1 20 GLU QG . . 3.620 2.400 2.319 2.590 . 0 0 "[ . 1 .]" 1
450 1 20 GLU HA 1 22 GLU H . . 4.770 4.453 4.335 4.540 . 0 0 "[ . 1 .]" 1
451 1 20 GLU HA 1 23 LYS H . . 4.250 3.422 3.301 3.594 . 0 0 "[ . 1 .]" 1
452 1 20 GLU HB3 1 21 VAL H . . 3.330 2.684 2.448 2.839 . 0 0 "[ . 1 .]" 1
453 1 20 GLU HB3 1 21 VAL QG . . 4.160 3.422 3.131 3.603 . 0 0 "[ . 1 .]" 1
454 1 20 GLU QG 1 21 VAL HA . . 4.070 3.793 3.681 4.054 . 0 0 "[ . 1 .]" 1
455 1 20 GLU HG2 1 21 VAL HA . . 4.870 4.088 3.809 4.929 0.059 8 0 "[ . 1 .]" 1
456 1 20 GLU HG3 1 21 VAL HA . . 4.870 4.767 4.174 4.912 0.042 11 0 "[ . 1 .]" 1
457 1 21 VAL H 1 21 VAL HB . . 3.740 2.423 2.334 2.495 . 0 0 "[ . 1 .]" 1
458 1 21 VAL H 1 21 VAL MG1 . . 4.220 3.792 3.758 3.816 . 0 0 "[ . 1 .]" 1
459 1 21 VAL H 1 21 VAL QG . . 3.260 2.272 2.189 2.360 . 0 0 "[ . 1 .]" 1
460 1 21 VAL H 1 21 VAL MG2 . . 4.220 2.290 2.202 2.385 . 0 0 "[ . 1 .]" 1
461 1 21 VAL H 1 22 GLU H . . 3.580 2.822 2.745 2.890 . 0 0 "[ . 1 .]" 1
462 1 21 VAL H 1 22 GLU HA . . 5.500 5.453 5.395 5.499 . 0 0 "[ . 1 .]" 1
463 1 21 VAL H 1 87 ILE MD . . 4.690 4.065 3.921 4.263 . 0 0 "[ . 1 .]" 1
464 1 21 VAL HA 1 21 VAL MG1 . . 3.330 2.543 2.476 2.618 . 0 0 "[ . 1 .]" 1
465 1 21 VAL HA 1 21 VAL MG2 . . 3.330 2.317 2.274 2.346 . 0 0 "[ . 1 .]" 1
466 1 21 VAL HA 1 24 LYS H . . 4.140 3.155 3.059 3.214 . 0 0 "[ . 1 .]" 1
467 1 21 VAL HA 1 24 LYS HA . . 4.980 5.011 4.995 5.032 0.052 2 0 "[ . 1 .]" 1
468 1 21 VAL HA 1 24 LYS HB2 . . 4.380 2.297 2.124 2.560 . 0 0 "[ . 1 .]" 1
469 1 21 VAL HA 1 24 LYS QB . . 3.750 2.281 2.112 2.536 . 0 0 "[ . 1 .]" 1
470 1 21 VAL HA 1 24 LYS HB3 . . 4.380 3.901 3.702 4.112 . 0 0 "[ . 1 .]" 1
471 1 21 VAL HA 1 24 LYS HG2 . . 4.530 3.329 2.459 3.812 . 0 0 "[ . 1 .]" 1
472 1 21 VAL HA 1 24 LYS QG . . 3.660 2.666 2.390 2.917 . 0 0 "[ . 1 .]" 1
473 1 21 VAL HA 1 24 LYS HG3 . . 4.530 2.920 2.663 3.392 . 0 0 "[ . 1 .]" 1
474 1 21 VAL HA 1 25 LEU H . . 4.630 3.859 3.742 3.944 . 0 0 "[ . 1 .]" 1
475 1 21 VAL HA 1 34 LEU MD1 . . 4.270 3.230 3.083 3.539 . 0 0 "[ . 1 .]" 1
476 1 21 VAL HA 1 34 LEU MD2 . . 3.980 3.478 3.262 3.740 . 0 0 "[ . 1 .]" 1
477 1 21 VAL HA 1 38 TYR QE . . 4.790 4.634 4.489 4.801 0.011 9 0 "[ . 1 .]" 1
478 1 21 VAL HB 1 22 GLU H . . 3.560 2.844 2.754 2.916 . 0 0 "[ . 1 .]" 1
479 1 21 VAL HB 1 87 ILE MD . . 3.620 2.366 2.257 2.482 . 0 0 "[ . 1 .]" 1
480 1 21 VAL QG 1 22 GLU H . . 3.880 3.259 3.209 3.298 . 0 0 "[ . 1 .]" 1
481 1 21 VAL QG 1 24 LYS HA . . 5.440 5.450 5.408 5.468 0.028 4 0 "[ . 1 .]" 1
482 1 21 VAL QG 1 34 LEU MD2 . . 3.780 2.889 2.776 3.099 . 0 0 "[ . 1 .]" 1
483 1 21 VAL QG 1 38 TYR HA . . 5.160 4.307 4.236 4.355 . 0 0 "[ . 1 .]" 1
484 1 21 VAL QG 1 38 TYR QB . . 3.520 2.249 2.200 2.299 . 0 0 "[ . 1 .]" 1
485 1 21 VAL QG 1 38 TYR QD . . 3.820 2.659 2.559 2.703 . 0 0 "[ . 1 .]" 1
486 1 21 VAL QG 1 38 TYR QE . . 4.080 3.399 3.316 3.508 . 0 0 "[ . 1 .]" 1
487 1 21 VAL QG 1 87 ILE MD . . 4.220 2.161 2.076 2.283 . 0 0 "[ . 1 .]" 1
488 1 21 VAL MG1 1 22 GLU H . . 4.530 3.422 3.345 3.480 . 0 0 "[ . 1 .]" 1
489 1 21 VAL MG2 1 22 GLU H . . 4.530 4.100 4.022 4.154 . 0 0 "[ . 1 .]" 1
490 1 22 GLU H 1 22 GLU QB . . 3.180 2.405 2.280 2.505 . 0 0 "[ . 1 .]" 1
491 1 22 GLU H 1 22 GLU HG2 . . 4.040 3.526 2.666 3.652 . 0 0 "[ . 1 .]" 1
492 1 22 GLU H 1 22 GLU HG3 . . 4.040 2.590 2.359 3.645 . 0 0 "[ . 1 .]" 1
493 1 22 GLU H 1 23 LYS H . . 3.630 2.837 2.802 2.868 . 0 0 "[ . 1 .]" 1
494 1 22 GLU H 1 24 LYS H . . 4.730 4.308 4.234 4.383 . 0 0 "[ . 1 .]" 1
495 1 22 GLU H 1 87 ILE MD . . 4.250 3.422 3.092 3.785 . 0 0 "[ . 1 .]" 1
496 1 22 GLU HA 1 22 GLU QG . . 3.590 2.354 2.309 2.606 . 0 0 "[ . 1 .]" 1
497 1 22 GLU HA 1 25 LEU HB2 . . 4.080 2.890 2.633 3.213 . 0 0 "[ . 1 .]" 1
498 1 22 GLU HA 1 25 LEU QD . . 3.240 2.447 2.289 2.633 . 0 0 "[ . 1 .]" 1
499 1 22 GLU HA 1 25 LEU HG . . 5.500 4.086 3.896 4.239 . 0 0 "[ . 1 .]" 1
500 1 22 GLU QB 1 23 LYS H . . 3.330 2.735 2.564 2.996 . 0 0 "[ . 1 .]" 1
501 1 22 GLU QG 1 25 LEU QD . . 4.630 3.438 3.196 3.709 . 0 0 "[ . 1 .]" 1
502 1 22 GLU HG2 1 87 ILE MD . . 4.390 3.483 2.287 4.147 . 0 0 "[ . 1 .]" 1
503 1 22 GLU HG3 1 87 ILE MD . . 4.390 2.924 2.495 3.464 . 0 0 "[ . 1 .]" 1
504 1 23 LYS H 1 23 LYS HB2 . . 3.720 2.482 2.404 2.754 . 0 0 "[ . 1 .]" 1
505 1 23 LYS H 1 23 LYS QB . . 3.100 2.442 2.371 2.681 . 0 0 "[ . 1 .]" 1
506 1 23 LYS H 1 23 LYS HB3 . . 3.720 3.638 3.612 3.683 . 0 0 "[ . 1 .]" 1
507 1 23 LYS H 1 23 LYS HG2 . . 4.320 3.433 2.202 3.861 . 0 0 "[ . 1 .]" 1
508 1 23 LYS H 1 23 LYS QG . . 3.480 2.420 2.143 2.634 . 0 0 "[ . 1 .]" 1
509 1 23 LYS H 1 23 LYS HG3 . . 4.320 2.733 2.163 3.827 . 0 0 "[ . 1 .]" 1
510 1 23 LYS H 1 24 LYS H . . 3.510 2.612 2.325 2.770 . 0 0 "[ . 1 .]" 1
511 1 23 LYS H 1 25 LEU H . . 4.690 4.208 3.930 4.313 . 0 0 "[ . 1 .]" 1
512 1 23 LYS HA 1 23 LYS QG . . 3.570 2.540 2.319 3.231 . 0 0 "[ . 1 .]" 1
513 1 23 LYS HA 1 25 LEU H . . 4.530 4.484 4.346 4.551 0.021 2 0 "[ . 1 .]" 1
514 1 23 LYS HA 1 26 LYS H . . 4.250 3.406 3.173 3.697 . 0 0 "[ . 1 .]" 1
515 1 23 LYS QB 1 24 LYS H . . 3.780 2.593 2.455 2.749 . 0 0 "[ . 1 .]" 1
516 1 24 LYS H 1 24 LYS HB2 . . 3.900 2.507 2.343 2.677 . 0 0 "[ . 1 .]" 1
517 1 24 LYS H 1 24 LYS QB . . 3.100 2.463 2.313 2.615 . 0 0 "[ . 1 .]" 1
518 1 24 LYS H 1 24 LYS HB3 . . 3.900 3.616 3.567 3.670 . 0 0 "[ . 1 .]" 1
519 1 24 LYS H 1 24 LYS HD2 . . 5.010 4.771 4.460 4.991 . 0 0 "[ . 1 .]" 1
520 1 24 LYS H 1 24 LYS QD . . 4.280 4.103 3.827 4.315 0.035 14 0 "[ . 1 .]" 1
521 1 24 LYS H 1 24 LYS HD3 . . 5.010 4.514 4.010 4.925 . 0 0 "[ . 1 .]" 1
522 1 24 LYS H 1 24 LYS QE . . 4.840 3.750 2.546 4.628 . 0 0 "[ . 1 .]" 1
523 1 24 LYS H 1 24 LYS HG2 . . 4.000 2.370 2.212 2.549 . 0 0 "[ . 1 .]" 1
524 1 24 LYS H 1 24 LYS HG3 . . 4.000 3.490 3.229 3.923 . 0 0 "[ . 1 .]" 1
525 1 24 LYS H 1 25 LEU H . . 3.630 2.879 2.824 2.924 . 0 0 "[ . 1 .]" 1
526 1 24 LYS H 1 25 LEU HB2 . . 4.880 4.829 4.748 4.881 0.001 14 0 "[ . 1 .]" 1
527 1 24 LYS H 1 25 LEU QD . . 5.020 4.966 4.871 5.022 0.002 14 0 "[ . 1 .]" 1
528 1 24 LYS H 1 26 LYS H . . 4.780 4.272 4.202 4.353 . 0 0 "[ . 1 .]" 1
529 1 24 LYS H 1 34 LEU MD1 . . 4.670 4.391 4.283 4.483 . 0 0 "[ . 1 .]" 1
530 1 24 LYS H 1 34 LEU MD2 . . 5.120 4.785 4.672 4.924 . 0 0 "[ . 1 .]" 1
531 1 24 LYS HA 1 24 LYS HD2 . . 4.370 3.898 3.359 4.234 . 0 0 "[ . 1 .]" 1
532 1 24 LYS HA 1 24 LYS HD3 . . 4.370 2.974 2.242 3.807 . 0 0 "[ . 1 .]" 1
533 1 24 LYS HA 1 24 LYS QE . . 4.000 2.633 1.903 4.002 0.002 11 0 "[ . 1 .]" 1
534 1 24 LYS HA 1 24 LYS QG . . 3.160 2.815 2.587 3.184 0.024 7 0 "[ . 1 .]" 1
535 1 24 LYS HA 1 26 LYS H . . 4.660 4.297 3.849 4.658 . 0 0 "[ . 1 .]" 1
536 1 24 LYS HA 1 27 LYS H . . 3.910 3.415 3.213 3.606 . 0 0 "[ . 1 .]" 1
537 1 24 LYS HA 1 27 LYS QB . . 3.940 2.476 2.288 2.674 . 0 0 "[ . 1 .]" 1
538 1 24 LYS HA 1 27 LYS QG . . 4.190 3.649 2.742 4.207 0.017 9 0 "[ . 1 .]" 1
539 1 24 LYS HA 1 34 LEU MD1 . . 4.750 4.174 4.051 4.322 . 0 0 "[ . 1 .]" 1
540 1 24 LYS HA 1 34 LEU MD2 . . 4.820 4.245 4.179 4.387 . 0 0 "[ . 1 .]" 1
541 1 24 LYS QB 1 24 LYS QE . . 4.440 3.128 2.468 3.698 . 0 0 "[ . 1 .]" 1
542 1 24 LYS QB 1 25 LEU H . . 3.740 2.563 2.521 2.624 . 0 0 "[ . 1 .]" 1
543 1 24 LYS QD 1 34 LEU MD2 . . 4.010 2.714 2.218 3.469 . 0 0 "[ . 1 .]" 1
544 1 24 LYS QD 1 38 TYR QE . . 4.100 3.324 2.982 3.809 . 0 0 "[ . 1 .]" 1
545 1 24 LYS HD2 1 38 TYR QE . . 4.880 3.653 3.249 3.990 . 0 0 "[ . 1 .]" 1
546 1 24 LYS HD3 1 38 TYR QE . . 4.880 4.185 3.156 4.917 0.037 13 0 "[ . 1 .]" 1
547 1 24 LYS QE 1 24 LYS QG . . 3.360 2.266 2.111 2.420 . 0 0 "[ . 1 .]" 1
548 1 24 LYS QE 1 38 TYR QE . . 5.350 4.466 2.769 5.169 . 0 0 "[ . 1 .]" 1
549 1 24 LYS QG 1 34 LEU MD1 . . 4.520 3.611 3.463 3.763 . 0 0 "[ . 1 .]" 1
550 1 24 LYS QG 1 34 LEU MD2 . . 3.910 2.648 2.261 3.011 . 0 0 "[ . 1 .]" 1
551 1 25 LEU H 1 25 LEU HB2 . . 3.340 2.335 2.280 2.363 . 0 0 "[ . 1 .]" 1
552 1 25 LEU H 1 25 LEU HB3 . . 3.780 3.563 3.536 3.580 . 0 0 "[ . 1 .]" 1
553 1 25 LEU H 1 25 LEU MD1 . . 4.320 3.440 3.380 3.495 . 0 0 "[ . 1 .]" 1
554 1 25 LEU H 1 25 LEU QD . . 3.790 3.179 3.155 3.210 . 0 0 "[ . 1 .]" 1
555 1 25 LEU H 1 25 LEU MD2 . . 4.320 3.742 3.689 3.782 . 0 0 "[ . 1 .]" 1
556 1 25 LEU H 1 25 LEU HG . . 4.130 2.464 2.420 2.526 . 0 0 "[ . 1 .]" 1
557 1 25 LEU H 1 26 LYS H . . 3.580 2.824 2.751 2.946 . 0 0 "[ . 1 .]" 1
558 1 25 LEU H 1 27 LYS H . . 5.210 4.270 4.125 4.344 . 0 0 "[ . 1 .]" 1
559 1 25 LEU H 1 34 LEU MD1 . . 4.050 3.078 2.941 3.192 . 0 0 "[ . 1 .]" 1
560 1 25 LEU HA 1 25 LEU MD1 . . 4.360 3.883 3.866 3.896 . 0 0 "[ . 1 .]" 1
561 1 25 LEU HA 1 25 LEU QD . . 2.990 2.145 2.096 2.199 . 0 0 "[ . 1 .]" 1
562 1 25 LEU HA 1 25 LEU MD2 . . 4.360 2.155 2.105 2.211 . 0 0 "[ . 1 .]" 1
563 1 25 LEU HA 1 25 LEU HG . . 3.100 2.853 2.797 2.910 . 0 0 "[ . 1 .]" 1
564 1 25 LEU HA 1 28 GLY H . . 5.310 3.806 3.488 4.586 . 0 0 "[ . 1 .]" 1
565 1 25 LEU HA 1 34 LEU MD1 . . 3.670 2.933 2.625 3.080 . 0 0 "[ . 1 .]" 1
566 1 25 LEU HB2 1 26 LYS H . . 3.290 2.878 2.589 3.305 0.015 9 0 "[ . 1 .]" 1
567 1 25 LEU HB2 1 34 LEU MD1 . . 4.310 4.143 4.052 4.222 . 0 0 "[ . 1 .]" 1
568 1 25 LEU HB3 1 26 LYS H . . 3.980 3.658 3.387 3.910 . 0 0 "[ . 1 .]" 1
569 1 25 LEU HB3 1 34 LEU MD1 . . 4.510 4.317 4.215 4.388 . 0 0 "[ . 1 .]" 1
570 1 25 LEU QD 1 26 LYS H . . 4.880 4.259 4.099 4.454 . 0 0 "[ . 1 .]" 1
571 1 25 LEU QD 1 30 LYS HA . . 4.490 3.761 3.031 4.225 . 0 0 "[ . 1 .]" 1
572 1 25 LEU QD 1 31 PHE H . . 4.450 3.153 2.756 3.404 . 0 0 "[ . 1 .]" 1
573 1 25 LEU QD 1 31 PHE HA . . 3.140 2.357 2.190 2.539 . 0 0 "[ . 1 .]" 1
574 1 25 LEU QD 1 31 PHE QB . . 4.120 2.551 2.327 2.724 . 0 0 "[ . 1 .]" 1
575 1 25 LEU QD 1 31 PHE QD . . 3.150 2.130 2.028 2.253 . 0 0 "[ . 1 .]" 1
576 1 25 LEU MD1 1 31 PHE QD . . 3.950 2.677 2.426 2.916 . 0 0 "[ . 1 .]" 1
577 1 25 LEU MD2 1 31 PHE QD . . 3.950 2.251 2.091 2.579 . 0 0 "[ . 1 .]" 1
578 1 25 LEU HG 1 34 LEU MD1 . . 3.400 2.237 2.165 2.324 . 0 0 "[ . 1 .]" 1
579 1 26 LYS H 1 26 LYS QB . . 3.210 2.419 2.323 3.070 . 0 0 "[ . 1 .]" 1
580 1 26 LYS H 1 26 LYS QG . . 3.300 2.507 2.219 2.746 . 0 0 "[ . 1 .]" 1
581 1 26 LYS H 1 27 LYS H . . 3.480 2.508 1.944 2.781 . 0 0 "[ . 1 .]" 1
582 1 26 LYS H 1 27 LYS QD . . 5.500 5.294 4.211 5.548 0.048 11 0 "[ . 1 .]" 1
583 1 26 LYS H 1 28 GLY H . . 4.510 4.057 3.686 4.304 . 0 0 "[ . 1 .]" 1
584 1 26 LYS HA 1 26 LYS HG2 . . 3.960 2.679 2.399 3.768 . 0 0 "[ . 1 .]" 1
585 1 26 LYS HA 1 26 LYS QG . . 3.360 2.535 2.297 3.372 0.012 9 0 "[ . 1 .]" 1
586 1 26 LYS HA 1 26 LYS HG3 . . 3.960 3.163 2.805 3.815 . 0 0 "[ . 1 .]" 1
587 1 26 LYS HA 1 28 GLY H . . 4.600 4.148 3.731 4.464 . 0 0 "[ . 1 .]" 1
588 1 26 LYS QB 1 27 LYS H . . 3.680 2.794 2.652 3.683 0.003 9 0 "[ . 1 .]" 1
589 1 26 LYS QB 1 28 GLY H . . 4.890 4.769 4.642 4.925 0.035 9 0 "[ . 1 .]" 1
590 1 26 LYS QG 1 27 LYS H . . 4.660 4.159 2.663 4.341 . 0 0 "[ . 1 .]" 1
591 1 27 LYS H 1 27 LYS HB2 . . 3.660 2.381 2.183 2.629 . 0 0 "[ . 1 .]" 1
592 1 27 LYS H 1 27 LYS HB3 . . 3.660 3.375 2.237 3.649 . 0 0 "[ . 1 .]" 1
593 1 27 LYS H 1 27 LYS QD . . 4.560 3.519 2.542 4.204 . 0 0 "[ . 1 .]" 1
594 1 27 LYS H 1 27 LYS HG2 . . 4.920 3.533 2.338 4.558 . 0 0 "[ . 1 .]" 1
595 1 27 LYS H 1 27 LYS QG . . 4.180 2.921 2.315 4.052 . 0 0 "[ . 1 .]" 1
596 1 27 LYS H 1 27 LYS HG3 . . 4.920 3.547 2.435 4.559 . 0 0 "[ . 1 .]" 1
597 1 27 LYS H 1 28 GLY H . . 3.480 2.754 2.689 2.822 . 0 0 "[ . 1 .]" 1
598 1 27 LYS H 1 29 GLU H . . 5.150 4.370 4.227 4.562 . 0 0 "[ . 1 .]" 1
599 1 27 LYS HA 1 27 LYS QG . . 3.150 2.611 2.296 3.053 . 0 0 "[ . 1 .]" 1
600 1 27 LYS QB 1 28 GLY H . . 4.150 2.863 2.694 2.984 . 0 0 "[ . 1 .]" 1
601 1 28 GLY H 1 29 GLU HA . . 5.500 4.869 4.764 4.978 . 0 0 "[ . 1 .]" 1
602 1 28 GLY H 1 29 GLU HB2 . . 4.620 4.286 4.023 4.467 . 0 0 "[ . 1 .]" 1
603 1 29 GLU H 1 29 GLU HB2 . . 3.550 2.412 2.328 2.484 . 0 0 "[ . 1 .]" 1
604 1 29 GLU H 1 29 GLU HB3 . . 3.780 3.605 3.541 3.650 . 0 0 "[ . 1 .]" 1
605 1 29 GLU H 1 29 GLU HG2 . . 3.890 3.084 2.256 3.856 . 0 0 "[ . 1 .]" 1
606 1 29 GLU H 1 29 GLU QG . . 3.260 2.573 2.237 3.320 0.060 5 0 "[ . 1 .]" 1
607 1 29 GLU H 1 29 GLU HG3 . . 3.890 3.292 2.421 3.865 . 0 0 "[ . 1 .]" 1
608 1 29 GLU H 1 30 LYS H . . 4.830 4.642 4.604 4.675 . 0 0 "[ . 1 .]" 1
609 1 29 GLU H 1 34 LEU MD1 . . 4.930 4.053 3.871 4.246 . 0 0 "[ . 1 .]" 1
610 1 29 GLU H 1 34 LEU MD2 . . 4.690 4.675 4.553 4.715 0.025 14 0 "[ . 1 .]" 1
611 1 29 GLU HA 1 29 GLU QG . . 2.900 2.611 2.261 2.979 0.079 4 0 "[ . 1 .]" 1
612 1 29 GLU HA 1 30 LYS H . . 3.110 2.213 2.150 2.444 . 0 0 "[ . 1 .]" 1
613 1 29 GLU HB2 1 30 LYS H . . 4.370 4.051 3.577 4.273 . 0 0 "[ . 1 .]" 1
614 1 29 GLU HB3 1 30 LYS H . . 3.810 2.914 2.400 3.220 . 0 0 "[ . 1 .]" 1
615 1 29 GLU HB3 1 34 LEU MD1 . . 3.670 3.023 2.809 3.240 . 0 0 "[ . 1 .]" 1
616 1 29 GLU HB3 1 34 LEU MD2 . . 3.420 2.553 2.372 2.732 . 0 0 "[ . 1 .]" 1
617 1 29 GLU QG 1 30 LYS H . . 4.360 4.100 3.740 4.407 0.047 2 0 "[ . 1 .]" 1
618 1 29 GLU QG 1 34 LEU MD2 . . 4.040 3.055 2.423 3.893 . 0 0 "[ . 1 .]" 1
619 1 29 GLU HG2 1 30 LYS H . . 5.220 4.651 3.888 5.136 . 0 0 "[ . 1 .]" 1
620 1 29 GLU HG3 1 30 LYS H . . 5.220 4.743 3.957 5.088 . 0 0 "[ . 1 .]" 1
621 1 30 LYS H 1 30 LYS HB2 . . 3.570 2.462 2.321 2.594 . 0 0 "[ . 1 .]" 1
622 1 30 LYS H 1 30 LYS HB3 . . 3.670 3.615 3.571 3.685 0.015 4 0 "[ . 1 .]" 1
623 1 30 LYS H 1 30 LYS QD . . 4.480 3.637 2.321 4.162 . 0 0 "[ . 1 .]" 1
624 1 30 LYS H 1 30 LYS QG . . 3.540 2.452 2.103 3.546 0.006 14 0 "[ . 1 .]" 1
625 1 30 LYS H 1 31 PHE H . . 4.740 4.633 4.519 4.679 . 0 0 "[ . 1 .]" 1
626 1 30 LYS H 1 34 LEU MD1 . . 5.410 4.412 3.949 4.603 . 0 0 "[ . 1 .]" 1
627 1 30 LYS HA 1 30 LYS QD . . 4.150 3.488 2.234 4.170 0.020 11 0 "[ . 1 .]" 1
628 1 30 LYS HA 1 30 LYS QG . . 3.400 2.585 2.290 3.155 . 0 0 "[ . 1 .]" 1
629 1 30 LYS HA 1 31 PHE H . . 3.320 2.199 2.159 2.253 . 0 0 "[ . 1 .]" 1
630 1 30 LYS HA 1 31 PHE HA . . 4.560 4.382 4.242 4.428 . 0 0 "[ . 1 .]" 1
631 1 30 LYS HA 1 31 PHE QB . . 4.480 4.044 3.989 4.088 . 0 0 "[ . 1 .]" 1
632 1 30 LYS HB2 1 32 GLU H . . 5.400 3.952 3.652 4.403 . 0 0 "[ . 1 .]" 1
633 1 30 LYS HB2 1 33 ASP H . . 3.760 2.767 2.538 3.108 . 0 0 "[ . 1 .]" 1
634 1 30 LYS HB2 1 33 ASP QB . . 3.670 2.514 2.324 3.045 . 0 0 "[ . 1 .]" 1
635 1 30 LYS HB3 1 31 PHE H . . 4.250 3.007 2.638 3.369 . 0 0 "[ . 1 .]" 1
636 1 30 LYS HB3 1 32 GLU H . . 4.030 2.967 2.587 3.413 . 0 0 "[ . 1 .]" 1
637 1 30 LYS HB3 1 33 ASP H . . 4.110 3.199 2.713 4.045 . 0 0 "[ . 1 .]" 1
638 1 30 LYS QG 1 32 GLU H . . 5.130 4.866 4.503 5.138 0.008 4 0 "[ . 1 .]" 1
639 1 31 PHE H 1 31 PHE QB . . 3.310 2.155 2.112 2.183 . 0 0 "[ . 1 .]" 1
640 1 31 PHE H 1 31 PHE QD . . 4.970 4.138 4.048 4.177 . 0 0 "[ . 1 .]" 1
641 1 31 PHE H 1 32 GLU H . . 4.220 2.898 2.803 3.025 . 0 0 "[ . 1 .]" 1
642 1 31 PHE HA 1 31 PHE QD . . 3.890 3.112 3.062 3.170 . 0 0 "[ . 1 .]" 1
643 1 31 PHE HA 1 34 LEU H . . 4.630 3.535 3.395 3.675 . 0 0 "[ . 1 .]" 1
644 1 31 PHE HA 1 34 LEU HB2 . . 3.640 2.645 2.509 2.774 . 0 0 "[ . 1 .]" 1
645 1 31 PHE HA 1 34 LEU MD1 . . 3.710 2.648 2.529 2.836 . 0 0 "[ . 1 .]" 1
646 1 31 PHE QB 1 32 GLU H . . 3.440 2.566 2.500 2.627 . 0 0 "[ . 1 .]" 1
647 1 31 PHE QB 1 32 GLU HA . . 4.900 4.207 4.125 4.259 . 0 0 "[ . 1 .]" 1
648 1 31 PHE QB 1 89 LYS HD2 . . 4.440 2.691 2.418 3.001 . 0 0 "[ . 1 .]" 1
649 1 31 PHE QD 1 32 GLU H . . 4.390 3.613 3.476 3.739 . 0 0 "[ . 1 .]" 1
650 1 31 PHE QD 1 32 GLU HA . . 4.090 3.303 3.109 3.475 . 0 0 "[ . 1 .]" 1
651 1 31 PHE QD 1 32 GLU QG . . 4.680 3.806 3.259 4.706 0.026 13 0 "[ . 1 .]" 1
652 1 31 PHE QD 1 35 ALA MB . . 3.910 3.582 3.449 3.794 . 0 0 "[ . 1 .]" 1
653 1 31 PHE QD 1 89 LYS H . . 5.500 5.254 5.033 5.498 . 0 0 "[ . 1 .]" 1
654 1 31 PHE QD 1 89 LYS QB . . 4.050 3.111 2.964 3.294 . 0 0 "[ . 1 .]" 1
655 1 31 PHE QD 1 89 LYS HD2 . . 3.780 3.187 2.933 3.376 . 0 0 "[ . 1 .]" 1
656 1 31 PHE QD 1 89 LYS HD3 . . 4.900 3.620 3.191 3.958 . 0 0 "[ . 1 .]" 1
657 1 31 PHE QE 1 34 LEU MD1 . . 5.500 5.456 5.277 5.528 0.028 9 0 "[ . 1 .]" 1
658 1 31 PHE QE 1 87 ILE MD . . 4.780 4.589 4.155 4.800 0.020 5 0 "[ . 1 .]" 1
659 1 31 PHE QE 1 87 ILE MG . . 3.540 2.183 2.122 2.249 . 0 0 "[ . 1 .]" 1
660 1 31 PHE HZ 1 89 LYS H . . 5.500 3.318 3.120 3.491 . 0 0 "[ . 1 .]" 1
661 1 31 PHE HZ 1 89 LYS QB . . 4.400 3.329 3.142 3.488 . 0 0 "[ . 1 .]" 1
662 1 32 GLU H 1 32 GLU HB2 . . 3.980 2.423 2.265 2.530 . 0 0 "[ . 1 .]" 1
663 1 32 GLU H 1 32 GLU QB . . 3.460 2.358 2.147 2.483 . 0 0 "[ . 1 .]" 1
664 1 32 GLU H 1 32 GLU HB3 . . 3.980 3.346 2.618 3.615 . 0 0 "[ . 1 .]" 1
665 1 32 GLU H 1 32 GLU QG . . 3.920 2.683 2.206 3.924 0.004 2 0 "[ . 1 .]" 1
666 1 32 GLU H 1 33 ASP H . . 3.830 2.757 2.709 2.818 . 0 0 "[ . 1 .]" 1
667 1 32 GLU H 1 34 LEU HB2 . . 5.500 5.210 5.156 5.322 . 0 0 "[ . 1 .]" 1
668 1 32 GLU HA 1 32 GLU QG . . 3.420 2.411 2.351 2.450 . 0 0 "[ . 1 .]" 1
669 1 32 GLU HA 1 35 ALA H . . 4.450 3.547 3.366 3.877 . 0 0 "[ . 1 .]" 1
670 1 32 GLU HA 1 35 ALA MB . . 3.490 2.821 2.585 3.130 . 0 0 "[ . 1 .]" 1
671 1 32 GLU QB 1 33 ASP H . . 3.890 2.739 2.578 3.029 . 0 0 "[ . 1 .]" 1
672 1 32 GLU HB2 1 33 ASP H . . 4.570 3.107 2.682 4.084 . 0 0 "[ . 1 .]" 1
673 1 32 GLU HB3 1 33 ASP H . . 4.570 3.508 2.624 3.967 . 0 0 "[ . 1 .]" 1
674 1 32 GLU QG 1 33 ASP H . . 4.330 4.169 3.932 4.301 . 0 0 "[ . 1 .]" 1
675 1 32 GLU QG 1 47 GLY HA2 . . 4.370 3.618 2.473 4.361 . 0 0 "[ . 1 .]" 1
676 1 32 GLU QG 1 47 GLY QA . . 3.620 2.652 2.018 3.302 . 0 0 "[ . 1 .]" 1
677 1 32 GLU QG 1 47 GLY HA3 . . 4.370 2.733 2.139 3.419 . 0 0 "[ . 1 .]" 1
678 1 33 ASP H 1 33 ASP HB2 . . 3.750 2.542 2.396 2.669 . 0 0 "[ . 1 .]" 1
679 1 33 ASP H 1 33 ASP HB3 . . 3.750 2.676 2.476 3.681 . 0 0 "[ . 1 .]" 1
680 1 33 ASP H 1 34 LEU H . . 3.310 2.497 2.198 2.611 . 0 0 "[ . 1 .]" 1
681 1 33 ASP H 1 34 LEU HB2 . . 5.500 4.604 4.282 4.798 . 0 0 "[ . 1 .]" 1
682 1 33 ASP H 1 34 LEU HG . . 5.500 4.403 4.217 4.504 . 0 0 "[ . 1 .]" 1
683 1 33 ASP H 1 35 ALA H . . 4.840 4.008 3.750 4.127 . 0 0 "[ . 1 .]" 1
684 1 33 ASP HA 1 36 LYS H . . 4.430 3.456 3.165 3.567 . 0 0 "[ . 1 .]" 1
685 1 33 ASP HA 1 36 LYS QD . . 4.710 3.329 2.585 4.678 . 0 0 "[ . 1 .]" 1
686 1 33 ASP QB 1 34 LEU HG . . 3.940 3.470 3.338 3.844 . 0 0 "[ . 1 .]" 1
687 1 33 ASP HB2 1 34 LEU H . . 3.980 3.799 2.906 3.966 . 0 0 "[ . 1 .]" 1
688 1 33 ASP HB3 1 34 LEU H . . 3.980 2.852 2.615 3.860 . 0 0 "[ . 1 .]" 1
689 1 34 LEU H 1 34 LEU HB2 . . 3.250 2.425 2.384 2.515 . 0 0 "[ . 1 .]" 1
690 1 34 LEU H 1 34 LEU HB3 . . 3.990 3.607 3.592 3.638 . 0 0 "[ . 1 .]" 1
691 1 34 LEU H 1 34 LEU MD1 . . 4.060 3.535 3.455 3.682 . 0 0 "[ . 1 .]" 1
692 1 34 LEU H 1 34 LEU MD2 . . 4.390 3.595 3.396 3.697 . 0 0 "[ . 1 .]" 1
693 1 34 LEU H 1 34 LEU HG . . 3.580 2.392 2.313 2.485 . 0 0 "[ . 1 .]" 1
694 1 34 LEU H 1 35 ALA H . . 3.650 2.744 2.666 2.826 . 0 0 "[ . 1 .]" 1
695 1 34 LEU HA 1 34 LEU MD1 . . 3.920 3.871 3.859 3.879 . 0 0 "[ . 1 .]" 1
696 1 34 LEU HA 1 34 LEU MD2 . . 3.330 2.095 2.058 2.144 . 0 0 "[ . 1 .]" 1
697 1 34 LEU HA 1 34 LEU HG . . 3.890 2.980 2.889 3.157 . 0 0 "[ . 1 .]" 1
698 1 34 LEU HA 1 36 LYS H . . 5.500 4.173 4.017 4.343 . 0 0 "[ . 1 .]" 1
699 1 34 LEU HA 1 37 GLU H . . 4.110 3.226 2.966 3.408 . 0 0 "[ . 1 .]" 1
700 1 34 LEU HA 1 37 GLU HB2 . . 4.030 3.164 2.248 3.783 . 0 0 "[ . 1 .]" 1
701 1 34 LEU HA 1 37 GLU QB . . 3.490 2.424 2.235 2.663 . 0 0 "[ . 1 .]" 1
702 1 34 LEU HA 1 37 GLU HB3 . . 4.030 3.015 2.404 4.029 . 0 0 "[ . 1 .]" 1
703 1 34 LEU HA 1 38 TYR QD . . 3.720 2.596 2.410 2.786 . 0 0 "[ . 1 .]" 1
704 1 34 LEU HA 1 38 TYR QE . . 4.160 3.748 3.506 3.989 . 0 0 "[ . 1 .]" 1
705 1 34 LEU HB2 1 34 LEU MD1 . . 3.370 2.271 2.247 2.287 . 0 0 "[ . 1 .]" 1
706 1 34 LEU HB2 1 35 ALA H . . 3.670 2.890 2.778 3.046 . 0 0 "[ . 1 .]" 1
707 1 34 LEU HB3 1 34 LEU MD1 . . 3.350 2.455 2.397 2.508 . 0 0 "[ . 1 .]" 1
708 1 34 LEU HB3 1 35 ALA H . . 4.080 3.784 3.697 3.908 . 0 0 "[ . 1 .]" 1
709 1 34 LEU HB3 1 38 TYR QD . . 3.760 2.987 2.908 3.099 . 0 0 "[ . 1 .]" 1
710 1 34 LEU MD1 1 35 ALA H . . 5.500 4.709 4.628 4.817 . 0 0 "[ . 1 .]" 1
711 1 34 LEU MD1 1 38 TYR QE . . 4.810 4.544 4.475 4.650 . 0 0 "[ . 1 .]" 1
712 1 34 LEU MD2 1 37 GLU H . . 5.500 4.727 4.463 4.902 . 0 0 "[ . 1 .]" 1
713 1 34 LEU MD2 1 37 GLU QB . . 4.080 3.069 2.824 3.329 . 0 0 "[ . 1 .]" 1
714 1 34 LEU MD2 1 38 TYR QD . . 3.870 2.668 2.484 2.871 . 0 0 "[ . 1 .]" 1
715 1 34 LEU MD2 1 38 TYR QE . . 3.200 2.304 2.248 2.404 . 0 0 "[ . 1 .]" 1
716 1 35 ALA H 1 35 ALA MB . . 3.220 2.227 2.203 2.241 . 0 0 "[ . 1 .]" 1
717 1 35 ALA H 1 36 LYS H . . 3.780 2.819 2.770 2.863 . 0 0 "[ . 1 .]" 1
718 1 35 ALA H 1 36 LYS QB . . 4.970 4.784 4.604 4.957 . 0 0 "[ . 1 .]" 1
719 1 35 ALA HA 1 38 TYR H . . 3.850 3.625 3.575 3.692 . 0 0 "[ . 1 .]" 1
720 1 35 ALA HA 1 39 SER H . . 3.520 2.841 2.760 2.902 . 0 0 "[ . 1 .]" 1
721 1 35 ALA HA 1 39 SER QB . . 4.230 2.346 2.207 2.460 . 0 0 "[ . 1 .]" 1
722 1 35 ALA MB 1 36 LYS H . . 3.650 2.659 2.576 2.791 . 0 0 "[ . 1 .]" 1
723 1 35 ALA MB 1 36 LYS QB . . 4.430 4.336 4.156 4.453 0.023 1 0 "[ . 1 .]" 1
724 1 35 ALA MB 1 39 SER H . . 4.890 4.247 4.217 4.284 . 0 0 "[ . 1 .]" 1
725 1 35 ALA MB 1 39 SER HA . . 5.330 5.339 5.315 5.354 0.024 11 0 "[ . 1 .]" 1
726 1 35 ALA MB 1 39 SER HB2 . . 4.140 3.138 3.099 3.162 . 0 0 "[ . 1 .]" 1
727 1 35 ALA MB 1 39 SER QB . . 3.620 2.954 2.915 3.004 . 0 0 "[ . 1 .]" 1
728 1 35 ALA MB 1 39 SER HB3 . . 4.140 3.607 3.415 3.782 . 0 0 "[ . 1 .]" 1
729 1 35 ALA MB 1 47 GLY H . . 4.400 3.965 3.448 4.271 . 0 0 "[ . 1 .]" 1
730 1 35 ALA MB 1 47 GLY HA2 . . 4.530 2.707 2.318 3.090 . 0 0 "[ . 1 .]" 1
731 1 35 ALA MB 1 47 GLY QA . . 3.660 2.658 2.293 3.015 . 0 0 "[ . 1 .]" 1
732 1 35 ALA MB 1 47 GLY HA3 . . 4.530 3.899 3.638 4.202 . 0 0 "[ . 1 .]" 1
733 1 35 ALA MB 1 48 GLY H . . 4.230 3.176 2.920 3.445 . 0 0 "[ . 1 .]" 1
734 1 35 ALA MB 1 48 GLY HA2 . . 4.120 2.916 2.456 3.406 . 0 0 "[ . 1 .]" 1
735 1 35 ALA MB 1 48 GLY HA3 . . 4.120 2.621 2.347 2.853 . 0 0 "[ . 1 .]" 1
736 1 36 LYS H 1 36 LYS QB . . 3.050 2.366 2.243 2.540 . 0 0 "[ . 1 .]" 1
737 1 36 LYS H 1 36 LYS QD . . 4.540 3.869 2.243 4.489 . 0 0 "[ . 1 .]" 1
738 1 36 LYS H 1 36 LYS QG . . 3.450 2.492 2.202 3.456 0.006 11 0 "[ . 1 .]" 1
739 1 36 LYS H 1 37 GLU H . . 3.560 2.717 2.530 2.850 . 0 0 "[ . 1 .]" 1
740 1 36 LYS H 1 37 GLU QB . . 4.680 4.343 4.134 4.648 . 0 0 "[ . 1 .]" 1
741 1 36 LYS H 1 38 TYR H . . 4.900 4.399 4.236 4.506 . 0 0 "[ . 1 .]" 1
742 1 36 LYS H 1 39 SER QB . . 5.340 4.877 4.822 4.946 . 0 0 "[ . 1 .]" 1
743 1 36 LYS HA 1 36 LYS QB . . 2.700 2.407 2.326 2.461 . 0 0 "[ . 1 .]" 1
744 1 36 LYS HA 1 36 LYS QG . . 3.470 2.380 2.257 2.562 . 0 0 "[ . 1 .]" 1
745 1 36 LYS QB 1 37 GLU H . . 3.640 3.262 2.606 3.522 . 0 0 "[ . 1 .]" 1
746 1 36 LYS QD 1 45 SER HA . . 4.170 4.065 3.744 4.193 0.023 1 0 "[ . 1 .]" 1
747 1 36 LYS QG 1 45 SER HA . . 4.200 3.136 2.367 3.915 . 0 0 "[ . 1 .]" 1
748 1 37 GLU H 1 37 GLU HB2 . . 3.640 2.741 2.347 3.017 . 0 0 "[ . 1 .]" 1
749 1 37 GLU H 1 37 GLU QB . . 3.020 2.428 2.317 2.550 . 0 0 "[ . 1 .]" 1
750 1 37 GLU H 1 37 GLU HB3 . . 3.640 2.979 2.584 3.649 0.009 2 0 "[ . 1 .]" 1
751 1 37 GLU H 1 37 GLU QG . . 4.610 3.676 2.403 4.180 . 0 0 "[ . 1 .]" 1
752 1 37 GLU H 1 38 TYR H . . 3.590 2.187 2.002 2.731 . 0 0 "[ . 1 .]" 1
753 1 37 GLU H 1 39 SER H . . 4.630 3.657 3.421 4.347 . 0 0 "[ . 1 .]" 1
754 1 37 GLU HA 1 37 GLU HG2 . . 3.890 3.338 2.860 3.778 . 0 0 "[ . 1 .]" 1
755 1 37 GLU HA 1 37 GLU QG . . 3.360 2.728 2.289 2.936 . 0 0 "[ . 1 .]" 1
756 1 37 GLU HA 1 37 GLU HG3 . . 3.890 3.093 2.345 3.760 . 0 0 "[ . 1 .]" 1
757 1 37 GLU HA 1 38 TYR QD . . 4.590 4.602 4.576 4.619 0.029 13 0 "[ . 1 .]" 1
758 1 37 GLU HA 1 38 TYR QE . . 5.500 5.491 5.398 5.520 0.020 12 0 "[ . 1 .]" 1
759 1 37 GLU QB 1 38 TYR H . . 3.560 2.983 2.920 3.060 . 0 0 "[ . 1 .]" 1
760 1 37 GLU QB 1 38 TYR QD . . 3.490 2.286 2.240 2.369 . 0 0 "[ . 1 .]" 1
761 1 37 GLU HB2 1 38 TYR H . . 4.160 3.780 3.065 4.147 . 0 0 "[ . 1 .]" 1
762 1 37 GLU HB2 1 38 TYR QD . . 4.000 3.477 2.360 4.024 0.024 4 0 "[ . 1 .]" 1
763 1 37 GLU HB3 1 38 TYR H . . 4.160 3.328 2.992 3.909 . 0 0 "[ . 1 .]" 1
764 1 37 GLU HB3 1 38 TYR QD . . 4.000 2.560 2.252 3.195 . 0 0 "[ . 1 .]" 1
765 1 37 GLU QG 1 38 TYR QD . . 4.250 3.572 3.190 4.217 . 0 0 "[ . 1 .]" 1
766 1 37 GLU HG2 1 38 TYR QD . . 5.030 4.079 3.358 4.965 . 0 0 "[ . 1 .]" 1
767 1 37 GLU HG3 1 38 TYR QD . . 5.030 4.149 3.428 4.746 . 0 0 "[ . 1 .]" 1
768 1 38 TYR H 1 38 TYR QB . . 3.290 2.458 2.416 2.531 . 0 0 "[ . 1 .]" 1
769 1 38 TYR H 1 38 TYR QD . . 3.800 2.806 2.622 2.994 . 0 0 "[ . 1 .]" 1
770 1 38 TYR H 1 39 SER H . . 3.350 2.144 2.113 2.195 . 0 0 "[ . 1 .]" 1
771 1 38 TYR HA 1 38 TYR QD . . 3.390 2.950 2.841 3.029 . 0 0 "[ . 1 .]" 1
772 1 38 TYR QB 1 39 SER H . . 4.050 2.898 2.799 2.999 . 0 0 "[ . 1 .]" 1
773 1 39 SER H 1 39 SER HB2 . . 3.530 2.443 2.413 2.476 . 0 0 "[ . 1 .]" 1
774 1 39 SER H 1 39 SER HB3 . . 3.530 2.810 2.770 2.860 . 0 0 "[ . 1 .]" 1
775 1 39 SER H 1 44 ALA MB . . 4.560 4.084 3.929 4.340 . 0 0 "[ . 1 .]" 1
776 1 39 SER HA 1 41 ASP H . . 3.800 3.829 3.781 3.862 0.062 11 0 "[ . 1 .]" 1
777 1 39 SER QB 1 41 ASP H . . 4.880 3.382 3.213 3.528 . 0 0 "[ . 1 .]" 1
778 1 39 SER QB 1 44 ALA HA . . 4.010 3.229 2.582 3.873 . 0 0 "[ . 1 .]" 1
779 1 39 SER QB 1 44 ALA MB . . 3.230 2.204 2.135 2.337 . 0 0 "[ . 1 .]" 1
780 1 39 SER HB2 1 44 ALA MB . . 3.940 3.668 3.590 3.868 . 0 0 "[ . 1 .]" 1
781 1 39 SER HB3 1 44 ALA MB . . 3.940 2.223 2.149 2.366 . 0 0 "[ . 1 .]" 1
782 1 40 THR H 1 40 THR MG . . 3.430 2.738 2.308 3.037 . 0 0 "[ . 1 .]" 1
783 1 40 THR H 1 41 ASP H . . 3.600 2.182 2.067 2.389 . 0 0 "[ . 1 .]" 1
784 1 40 THR HA 1 40 THR MG . . 3.380 2.500 2.362 3.264 . 0 0 "[ . 1 .]" 1
785 1 40 THR MG 1 41 ASP H . . 5.080 4.139 3.056 4.364 . 0 0 "[ . 1 .]" 1
786 1 41 ASP H 1 41 ASP HB2 . . 3.770 2.688 2.471 3.587 . 0 0 "[ . 1 .]" 1
787 1 41 ASP H 1 41 ASP QB . . 3.290 2.305 2.241 2.560 . 0 0 "[ . 1 .]" 1
788 1 41 ASP H 1 41 ASP HB3 . . 3.770 2.542 2.412 2.750 . 0 0 "[ . 1 .]" 1
789 1 41 ASP H 1 44 ALA MB . . 4.290 3.696 2.509 4.166 . 0 0 "[ . 1 .]" 1
790 1 42 SER HA 1 44 ALA H . . 4.550 3.656 3.546 4.096 . 0 0 "[ . 1 .]" 1
791 1 43 SER H 1 44 ALA H . . 4.020 2.806 2.340 2.879 . 0 0 "[ . 1 .]" 1
792 1 43 SER HA 1 46 LYS H . . 4.290 3.473 3.326 3.614 . 0 0 "[ . 1 .]" 1
793 1 43 SER HA 1 46 LYS QB . . 3.850 3.144 2.279 3.581 . 0 0 "[ . 1 .]" 1
794 1 43 SER HA 1 46 LYS QD . . 4.850 3.568 2.391 4.852 0.002 4 0 "[ . 1 .]" 1
795 1 43 SER HA 1 46 LYS QE . . 4.210 3.277 2.090 4.224 0.014 6 0 "[ . 1 .]" 1
796 1 43 SER HA 1 46 LYS QG . . 3.850 3.164 2.499 3.625 . 0 0 "[ . 1 .]" 1
797 1 43 SER QB 1 44 ALA H . . 4.080 3.352 3.005 3.806 . 0 0 "[ . 1 .]" 1
798 1 43 SER QB 1 50 LEU QD . . 3.600 2.891 2.340 3.575 . 0 0 "[ . 1 .]" 1
799 1 44 ALA H 1 44 ALA MB . . 3.270 2.180 2.168 2.197 . 0 0 "[ . 1 .]" 1
800 1 44 ALA H 1 45 SER H . . 4.160 2.935 2.764 3.153 . 0 0 "[ . 1 .]" 1
801 1 44 ALA MB 1 45 SER H . . 3.930 2.575 2.307 3.191 . 0 0 "[ . 1 .]" 1
802 1 45 SER H 1 46 LYS H . . 3.710 2.770 2.319 2.840 . 0 0 "[ . 1 .]" 1
803 1 45 SER QB 1 46 LYS H . . 4.440 3.353 2.916 3.880 . 0 0 "[ . 1 .]" 1
804 1 46 LYS H 1 46 LYS HB2 . . 4.070 2.564 2.441 2.735 . 0 0 "[ . 1 .]" 1
805 1 46 LYS H 1 46 LYS QB . . 3.510 2.519 2.405 2.679 . 0 0 "[ . 1 .]" 1
806 1 46 LYS H 1 46 LYS HB3 . . 4.070 3.700 3.631 3.829 . 0 0 "[ . 1 .]" 1
807 1 46 LYS H 1 46 LYS QD . . 4.650 4.140 3.435 4.626 . 0 0 "[ . 1 .]" 1
808 1 46 LYS H 1 46 LYS HG2 . . 4.270 3.561 2.496 3.911 . 0 0 "[ . 1 .]" 1
809 1 46 LYS H 1 46 LYS QG . . 3.480 2.568 2.348 2.805 . 0 0 "[ . 1 .]" 1
810 1 46 LYS H 1 46 LYS HG3 . . 4.270 2.805 2.383 3.919 . 0 0 "[ . 1 .]" 1
811 1 46 LYS H 1 47 GLY H . . 3.610 2.492 2.198 2.670 . 0 0 "[ . 1 .]" 1
812 1 46 LYS H 1 48 GLY H . . 4.520 3.080 2.864 3.283 . 0 0 "[ . 1 .]" 1
813 1 46 LYS HA 1 46 LYS QD . . 4.450 3.811 2.309 4.087 . 0 0 "[ . 1 .]" 1
814 1 46 LYS HA 1 46 LYS QG . . 3.590 2.593 2.436 3.232 . 0 0 "[ . 1 .]" 1
815 1 46 LYS QB 1 48 GLY H . . 4.370 3.193 3.074 3.304 . 0 0 "[ . 1 .]" 1
816 1 46 LYS HB2 1 49 ASP H . . 4.560 3.300 3.102 3.859 . 0 0 "[ . 1 .]" 1
817 1 46 LYS HB3 1 49 ASP H . . 4.560 3.821 3.574 4.594 0.034 14 0 "[ . 1 .]" 1
818 1 47 GLY H 1 48 GLY H . . 3.510 2.519 2.295 2.713 . 0 0 "[ . 1 .]" 1
819 1 47 GLY H 1 49 ASP H . . 5.080 4.390 4.249 4.627 . 0 0 "[ . 1 .]" 1
820 1 48 GLY H 1 49 ASP H . . 3.660 2.715 2.574 2.933 . 0 0 "[ . 1 .]" 1
821 1 49 ASP H 1 49 ASP HB2 . . 3.640 2.551 2.503 2.620 . 0 0 "[ . 1 .]" 1
822 1 49 ASP H 1 49 ASP QB . . 3.110 2.201 2.190 2.215 . 0 0 "[ . 1 .]" 1
823 1 49 ASP H 1 49 ASP HB3 . . 3.640 2.408 2.365 2.454 . 0 0 "[ . 1 .]" 1
824 1 49 ASP H 1 50 LEU H . . 4.620 4.571 4.471 4.627 0.007 9 0 "[ . 1 .]" 1
825 1 50 LEU H 1 50 LEU HB2 . . 4.060 2.386 2.281 2.498 . 0 0 "[ . 1 .]" 1
826 1 50 LEU H 1 50 LEU QB . . 3.540 2.354 2.255 2.460 . 0 0 "[ . 1 .]" 1
827 1 50 LEU H 1 50 LEU HB3 . . 4.060 3.621 3.549 3.697 . 0 0 "[ . 1 .]" 1
828 1 50 LEU H 1 50 LEU MD1 . . 4.520 3.756 3.584 4.002 . 0 0 "[ . 1 .]" 1
829 1 50 LEU H 1 50 LEU QD . . 3.950 3.390 3.292 3.564 . 0 0 "[ . 1 .]" 1
830 1 50 LEU H 1 50 LEU MD2 . . 4.520 3.868 3.723 3.998 . 0 0 "[ . 1 .]" 1
831 1 50 LEU H 1 50 LEU HG . . 3.850 2.836 2.665 3.130 . 0 0 "[ . 1 .]" 1
832 1 50 LEU H 1 51 GLY H . . 3.410 2.340 2.128 2.525 . 0 0 "[ . 1 .]" 1
833 1 50 LEU HA 1 50 LEU MD1 . . 4.260 3.886 3.854 3.912 . 0 0 "[ . 1 .]" 1
834 1 50 LEU HA 1 50 LEU QD . . 3.100 2.140 2.112 2.173 . 0 0 "[ . 1 .]" 1
835 1 50 LEU HA 1 50 LEU MD2 . . 4.260 2.150 2.121 2.184 . 0 0 "[ . 1 .]" 1
836 1 50 LEU HA 1 50 LEU HG . . 3.830 3.042 2.927 3.153 . 0 0 "[ . 1 .]" 1
837 1 50 LEU QB 1 50 LEU QD . . 2.760 1.935 1.924 1.948 . 0 0 "[ . 1 .]" 1
838 1 50 LEU QB 1 51 GLY H . . 3.840 3.314 3.257 3.369 . 0 0 "[ . 1 .]" 1
839 1 50 LEU QB 1 53 PHE QD . . 3.900 2.848 2.629 3.138 . 0 0 "[ . 1 .]" 1
840 1 50 LEU QB 1 53 PHE QE . . 3.780 2.493 2.336 2.773 . 0 0 "[ . 1 .]" 1
841 1 50 LEU HB2 1 51 GLY H . . 4.610 3.472 3.408 3.545 . 0 0 "[ . 1 .]" 1
842 1 50 LEU HB2 1 53 PHE QE . . 4.550 2.554 2.383 2.879 . 0 0 "[ . 1 .]" 1
843 1 50 LEU HB3 1 51 GLY H . . 4.610 4.194 4.117 4.236 . 0 0 "[ . 1 .]" 1
844 1 50 LEU HB3 1 53 PHE QE . . 4.550 3.488 3.303 3.621 . 0 0 "[ . 1 .]" 1
845 1 50 LEU QD 1 53 PHE QD . . 4.570 3.690 3.495 3.964 . 0 0 "[ . 1 .]" 1
846 1 50 LEU QD 1 53 PHE QE . . 3.980 2.708 2.520 3.129 . 0 0 "[ . 1 .]" 1
847 1 50 LEU QD 1 53 PHE HZ . . 4.580 3.587 3.398 4.078 . 0 0 "[ . 1 .]" 1
848 1 50 LEU QD 1 59 MET ME . . 3.180 2.211 2.015 2.540 . 0 0 "[ . 1 .]" 1
849 1 50 LEU QD 1 63 PHE QE . . 4.080 2.482 2.323 2.802 . 0 0 "[ . 1 .]" 1
850 1 50 LEU QD 1 63 PHE HZ . . 3.400 2.162 2.101 2.224 . 0 0 "[ . 1 .]" 1
851 1 50 LEU MD1 1 59 MET ME . . 3.640 2.425 2.158 2.791 . 0 0 "[ . 1 .]" 1
852 1 50 LEU MD2 1 59 MET ME . . 3.640 2.590 2.247 3.041 . 0 0 "[ . 1 .]" 1
853 1 51 GLY HA2 1 52 TRP H . . 3.420 2.714 2.657 2.755 . 0 0 "[ . 1 .]" 1
854 1 51 GLY HA2 1 52 TRP HD1 . . 5.010 3.992 3.755 4.188 . 0 0 "[ . 1 .]" 1
855 1 51 GLY HA3 1 52 TRP H . . 3.340 2.491 2.446 2.538 . 0 0 "[ . 1 .]" 1
856 1 51 GLY HA3 1 52 TRP HD1 . . 4.980 4.463 4.281 4.666 . 0 0 "[ . 1 .]" 1
857 1 51 GLY HA3 1 53 PHE QD . . 4.940 4.952 4.942 4.959 0.019 8 0 "[ . 1 .]" 1
858 1 52 TRP H 1 52 TRP HB2 . . 3.810 2.410 2.391 2.432 . 0 0 "[ . 1 .]" 1
859 1 52 TRP H 1 52 TRP QB . . 3.230 2.375 2.359 2.396 . 0 0 "[ . 1 .]" 1
860 1 52 TRP H 1 52 TRP HB3 . . 3.810 3.600 3.588 3.614 . 0 0 "[ . 1 .]" 1
861 1 52 TRP H 1 52 TRP HD1 . . 4.040 2.481 2.384 2.588 . 0 0 "[ . 1 .]" 1
862 1 52 TRP HA 1 52 TRP HE3 . . 4.270 3.256 3.140 3.414 . 0 0 "[ . 1 .]" 1
863 1 52 TRP HA 1 53 PHE H . . 3.310 2.183 2.158 2.204 . 0 0 "[ . 1 .]" 1
864 1 52 TRP HA 1 53 PHE QD . . 4.200 3.908 3.742 4.081 . 0 0 "[ . 1 .]" 1
865 1 52 TRP QB 1 52 TRP HE3 . . 3.480 2.585 2.554 2.607 . 0 0 "[ . 1 .]" 1
866 1 52 TRP QB 1 53 PHE H . . 4.100 3.099 2.909 3.216 . 0 0 "[ . 1 .]" 1
867 1 52 TRP HB2 1 52 TRP HE3 . . 4.140 4.147 4.126 4.165 0.025 7 0 "[ . 1 .]" 1
868 1 52 TRP HB3 1 52 TRP HE3 . . 4.140 2.611 2.579 2.634 . 0 0 "[ . 1 .]" 1
869 1 52 TRP HE3 1 93 GLU HA . . 4.920 4.722 4.483 4.927 0.007 7 0 "[ . 1 .]" 1
870 1 52 TRP HH2 1 92 GLU HB2 . . 4.770 4.594 3.278 4.791 0.021 12 0 "[ . 1 .]" 1
871 1 52 TRP HH2 1 92 GLU HB3 . . 3.910 3.002 2.295 3.271 . 0 0 "[ . 1 .]" 1
872 1 52 TRP HH2 1 92 GLU QG . . 4.210 3.223 2.292 4.267 0.057 5 0 "[ . 1 .]" 1
873 1 52 TRP HH2 1 93 GLU H . . 4.630 3.200 3.024 3.427 . 0 0 "[ . 1 .]" 1
874 1 52 TRP HH2 1 93 GLU HA . . 4.010 3.234 3.002 3.637 . 0 0 "[ . 1 .]" 1
875 1 52 TRP HH2 1 93 GLU QB . . 5.340 4.781 4.582 5.132 . 0 0 "[ . 1 .]" 1
876 1 52 TRP HZ2 1 92 GLU HB2 . . 4.680 4.095 3.225 4.316 . 0 0 "[ . 1 .]" 1
877 1 52 TRP HZ2 1 92 GLU HB3 . . 4.250 3.010 2.809 3.319 . 0 0 "[ . 1 .]" 1
878 1 52 TRP HZ2 1 92 GLU QG . . 4.260 2.930 2.255 3.901 . 0 0 "[ . 1 .]" 1
879 1 52 TRP HZ3 1 92 GLU HB3 . . 4.910 4.153 3.944 4.319 . 0 0 "[ . 1 .]" 1
880 1 52 TRP HZ3 1 93 GLU HA . . 3.160 2.542 2.284 2.760 . 0 0 "[ . 1 .]" 1
881 1 52 TRP HZ3 1 93 GLU QB . . 5.320 4.283 4.009 4.531 . 0 0 "[ . 1 .]" 1
882 1 53 PHE H 1 53 PHE QD . . 4.060 3.268 3.136 3.349 . 0 0 "[ . 1 .]" 1
883 1 53 PHE HA 1 53 PHE QD . . 3.930 3.789 3.780 3.796 . 0 0 "[ . 1 .]" 1
884 1 53 PHE HA 1 54 ALA H . . 3.210 2.439 2.196 2.544 . 0 0 "[ . 1 .]" 1
885 1 53 PHE QB 1 54 ALA H . . 3.330 2.273 2.137 2.613 . 0 0 "[ . 1 .]" 1
886 1 53 PHE QB 1 58 GLN QB . . 3.650 2.413 2.156 2.931 . 0 0 "[ . 1 .]" 1
887 1 53 PHE QB 1 59 MET ME . . 4.000 2.449 2.161 2.746 . 0 0 "[ . 1 .]" 1
888 1 53 PHE QB 1 59 MET QG . . 4.550 3.023 2.229 3.951 . 0 0 "[ . 1 .]" 1
889 1 53 PHE HB2 1 54 ALA H . . 3.870 2.295 2.152 2.660 . 0 0 "[ . 1 .]" 1
890 1 53 PHE HB2 1 58 GLN QB . . 4.390 2.457 2.183 3.021 . 0 0 "[ . 1 .]" 1
891 1 53 PHE HB2 1 59 MET ME . . 4.630 3.045 2.743 3.412 . 0 0 "[ . 1 .]" 1
892 1 53 PHE HB3 1 54 ALA H . . 3.870 3.681 3.617 3.822 . 0 0 "[ . 1 .]" 1
893 1 53 PHE HB3 1 58 GLN QB . . 4.390 3.572 3.178 4.054 . 0 0 "[ . 1 .]" 1
894 1 53 PHE HB3 1 59 MET ME . . 4.630 2.595 2.232 3.052 . 0 0 "[ . 1 .]" 1
895 1 53 PHE QD 1 54 ALA H . . 4.820 3.105 2.825 3.725 . 0 0 "[ . 1 .]" 1
896 1 53 PHE QD 1 59 MET ME . . 4.210 2.632 2.452 2.846 . 0 0 "[ . 1 .]" 1
897 1 53 PHE QD 1 59 MET QG . . 4.360 3.157 2.663 3.722 . 0 0 "[ . 1 .]" 1
898 1 53 PHE QD 1 67 ALA MB . . 4.800 4.449 4.166 4.801 0.001 11 0 "[ . 1 .]" 1
899 1 53 PHE QE 1 59 MET ME . . 4.430 3.418 3.107 3.606 . 0 0 "[ . 1 .]" 1
900 1 53 PHE QE 1 59 MET QG . . 5.040 3.447 2.909 3.939 . 0 0 "[ . 1 .]" 1
901 1 53 PHE QE 1 64 SER HA . . 3.730 2.839 2.489 3.146 . 0 0 "[ . 1 .]" 1
902 1 53 PHE QE 1 67 ALA MB . . 3.490 2.528 2.261 2.886 . 0 0 "[ . 1 .]" 1
903 1 53 PHE QE 1 88 ILE MG . . 4.630 4.360 4.119 4.652 0.022 5 0 "[ . 1 .]" 1
904 1 53 PHE HZ 1 67 ALA MB . . 3.690 2.353 2.169 2.648 . 0 0 "[ . 1 .]" 1
905 1 53 PHE HZ 1 88 ILE MG . . 4.980 3.671 3.385 4.071 . 0 0 "[ . 1 .]" 1
906 1 54 ALA H 1 54 ALA MB . . 3.300 2.461 2.223 2.596 . 0 0 "[ . 1 .]" 1
907 1 54 ALA H 1 58 GLN QB . . 4.080 2.318 1.746 3.008 . 0 0 "[ . 1 .]" 1
908 1 54 ALA HA 1 55 LYS H . . 3.380 2.259 2.166 2.469 . 0 0 "[ . 1 .]" 1
909 1 54 ALA HA 1 68 PHE HZ . . 3.860 2.280 2.128 2.724 . 0 0 "[ . 1 .]" 1
910 1 54 ALA MB 1 55 LYS H . . 3.360 2.663 2.227 2.955 . 0 0 "[ . 1 .]" 1
911 1 54 ALA MB 1 56 GLU H . . 3.760 2.695 2.517 2.847 . 0 0 "[ . 1 .]" 1
912 1 54 ALA MB 1 56 GLU QG . . 5.220 3.460 2.179 5.044 . 0 0 "[ . 1 .]" 1
913 1 54 ALA MB 1 58 GLN QB . . 5.500 3.392 2.572 4.250 . 0 0 "[ . 1 .]" 1
914 1 54 ALA MB 1 68 PHE HZ . . 5.030 3.569 3.111 4.213 . 0 0 "[ . 1 .]" 1
915 1 55 LYS H 1 55 LYS HB2 . . 3.710 2.825 2.175 3.616 . 0 0 "[ . 1 .]" 1
916 1 55 LYS H 1 55 LYS HB3 . . 3.710 2.627 2.392 3.545 . 0 0 "[ . 1 .]" 1
917 1 55 LYS H 1 55 LYS QD . . 4.620 4.088 3.579 4.628 0.008 9 0 "[ . 1 .]" 1
918 1 55 LYS H 1 55 LYS HG2 . . 4.820 3.414 2.059 4.561 . 0 0 "[ . 1 .]" 1
919 1 55 LYS H 1 55 LYS QG . . 4.220 3.093 2.037 3.981 . 0 0 "[ . 1 .]" 1
920 1 55 LYS H 1 55 LYS HG3 . . 4.820 3.886 3.191 4.473 . 0 0 "[ . 1 .]" 1
921 1 55 LYS H 1 56 GLU H . . 3.710 2.771 2.682 2.891 . 0 0 "[ . 1 .]" 1
922 1 55 LYS H 1 68 PHE HZ . . 4.620 2.837 2.614 3.308 . 0 0 "[ . 1 .]" 1
923 1 55 LYS HA 1 55 LYS HG2 . . 4.230 3.409 2.938 3.867 . 0 0 "[ . 1 .]" 1
924 1 55 LYS HA 1 55 LYS HG3 . . 4.230 3.152 2.397 3.819 . 0 0 "[ . 1 .]" 1
925 1 55 LYS HA 1 68 PHE QD . . 4.910 3.990 3.055 4.532 . 0 0 "[ . 1 .]" 1
926 1 55 LYS HA 1 68 PHE QE . . 3.690 3.472 2.793 3.726 0.036 6 0 "[ . 1 .]" 1
927 1 55 LYS QB 1 56 GLU H . . 3.700 3.287 2.923 3.733 0.033 8 0 "[ . 1 .]" 1
928 1 55 LYS HB2 1 56 GLU H . . 4.530 4.033 3.271 4.190 . 0 0 "[ . 1 .]" 1
929 1 55 LYS HB3 1 56 GLU H . . 4.530 3.597 2.998 4.300 . 0 0 "[ . 1 .]" 1
930 1 55 LYS QD 1 68 PHE HB2 . . 4.500 3.083 2.430 4.341 . 0 0 "[ . 1 .]" 1
931 1 55 LYS QD 1 68 PHE HB3 . . 4.500 3.401 2.738 4.417 . 0 0 "[ . 1 .]" 1
932 1 55 LYS QD 1 68 PHE QD . . 4.680 3.227 2.877 3.885 . 0 0 "[ . 1 .]" 1
933 1 56 GLU H 1 56 GLU HB2 . . 3.800 2.671 2.268 3.594 . 0 0 "[ . 1 .]" 1
934 1 56 GLU H 1 56 GLU HB3 . . 3.800 3.102 2.431 3.814 0.014 10 0 "[ . 1 .]" 1
935 1 56 GLU H 1 56 GLU QG . . 3.920 2.762 2.035 3.940 0.020 8 0 "[ . 1 .]" 1
936 1 56 GLU H 1 57 GLY H . . 4.760 3.044 2.826 4.473 . 0 0 "[ . 1 .]" 1
937 1 56 GLU HA 1 56 GLU HG2 . . 4.200 3.194 2.449 3.802 . 0 0 "[ . 1 .]" 1
938 1 56 GLU HA 1 56 GLU HG3 . . 4.200 3.217 2.440 3.824 . 0 0 "[ . 1 .]" 1
939 1 56 GLU QB 1 57 GLY H . . 4.010 3.184 2.485 3.850 . 0 0 "[ . 1 .]" 1
940 1 56 GLU HB2 1 57 GLY H . . 4.640 3.729 3.184 4.281 . 0 0 "[ . 1 .]" 1
941 1 56 GLU HB3 1 57 GLY H . . 4.640 3.744 2.523 4.369 . 0 0 "[ . 1 .]" 1
942 1 58 GLN H 1 59 MET H . . 3.690 2.738 2.502 2.925 . 0 0 "[ . 1 .]" 1
943 1 58 GLN HA 1 58 GLN QG . . 3.320 2.550 2.293 3.079 . 0 0 "[ . 1 .]" 1
944 1 58 GLN QB 1 59 MET H . . 3.610 3.110 2.792 3.348 . 0 0 "[ . 1 .]" 1
945 1 59 MET H 1 59 MET HB2 . . 4.190 2.812 2.596 3.244 . 0 0 "[ . 1 .]" 1
946 1 59 MET H 1 59 MET QB . . 3.580 2.652 2.553 2.722 . 0 0 "[ . 1 .]" 1
947 1 59 MET H 1 59 MET HB3 . . 4.190 3.615 2.816 3.867 . 0 0 "[ . 1 .]" 1
948 1 59 MET QB 1 60 ASP H . . 3.820 2.551 2.143 3.503 . 0 0 "[ . 1 .]" 1
949 1 59 MET QB 1 63 PHE QD . . 4.210 2.704 2.156 4.035 . 0 0 "[ . 1 .]" 1
950 1 59 MET HB2 1 60 ASP H . . 4.490 3.268 2.166 4.056 . 0 0 "[ . 1 .]" 1
951 1 59 MET HB2 1 63 PHE QD . . 4.830 3.348 2.188 4.827 . 0 0 "[ . 1 .]" 1
952 1 59 MET HB3 1 60 ASP H . . 4.490 3.047 2.258 3.831 . 0 0 "[ . 1 .]" 1
953 1 59 MET HB3 1 63 PHE QD . . 4.830 3.243 2.337 4.380 . 0 0 "[ . 1 .]" 1
954 1 59 MET ME 1 63 PHE QD . . 4.960 4.709 3.742 4.976 0.016 8 0 "[ . 1 .]" 1
955 1 59 MET ME 1 63 PHE QE . . 4.250 3.718 3.018 4.010 . 0 0 "[ . 1 .]" 1
956 1 59 MET ME 1 63 PHE HZ . . 5.410 5.053 4.535 5.420 0.010 15 0 "[ . 1 .]" 1
957 1 59 MET QG 1 63 PHE QE . . 4.030 2.847 2.415 3.503 . 0 0 "[ . 1 .]" 1
958 1 60 ASP H 1 60 ASP HB2 . . 3.920 2.907 2.456 3.717 . 0 0 "[ . 1 .]" 1
959 1 60 ASP H 1 60 ASP QB . . 3.440 2.421 2.179 2.891 . 0 0 "[ . 1 .]" 1
960 1 60 ASP H 1 60 ASP HB3 . . 3.920 2.607 2.345 3.058 . 0 0 "[ . 1 .]" 1
961 1 60 ASP HA 1 61 GLU H . . 3.520 2.260 2.164 2.393 . 0 0 "[ . 1 .]" 1
962 1 60 ASP QB 1 63 PHE QB . . 3.590 2.215 2.036 3.163 . 0 0 "[ . 1 .]" 1
963 1 60 ASP QB 1 81 THR MG . . 4.070 3.346 2.416 4.089 0.019 6 0 "[ . 1 .]" 1
964 1 60 ASP QB 1 83 TYR QE . . 3.930 2.580 2.229 3.883 . 0 0 "[ . 1 .]" 1
965 1 61 GLU H 1 61 GLU QB . . 3.560 2.274 2.131 2.537 . 0 0 "[ . 1 .]" 1
966 1 61 GLU H 1 62 THR H . . 4.070 2.921 2.759 3.031 . 0 0 "[ . 1 .]" 1
967 1 61 GLU HA 1 61 GLU QG . . 3.530 2.474 2.323 3.399 . 0 0 "[ . 1 .]" 1
968 1 61 GLU HA 1 64 SER H . . 4.780 3.779 3.164 4.486 . 0 0 "[ . 1 .]" 1
969 1 61 GLU HA 1 65 LYS H . . 4.800 4.117 3.420 4.804 0.004 15 0 "[ . 1 .]" 1
970 1 61 GLU HB2 1 62 THR H . . 4.170 3.760 2.736 4.179 0.009 4 0 "[ . 1 .]" 1
971 1 61 GLU HB3 1 62 THR H . . 4.170 3.172 2.398 4.171 0.001 15 0 "[ . 1 .]" 1
972 1 62 THR H 1 62 THR HB . . 3.340 2.760 2.601 3.190 . 0 0 "[ . 1 .]" 1
973 1 62 THR H 1 62 THR MG . . 4.070 3.797 3.655 3.929 . 0 0 "[ . 1 .]" 1
974 1 62 THR HA 1 62 THR MG . . 3.360 2.310 2.183 2.382 . 0 0 "[ . 1 .]" 1
975 1 62 THR HA 1 65 LYS QB . . 4.110 3.320 2.494 4.134 0.024 10 0 "[ . 1 .]" 1
976 1 62 THR HA 1 65 LYS QE . . 4.120 3.055 2.026 4.141 0.021 13 0 "[ . 1 .]" 1
977 1 62 THR HA 1 65 LYS QG . . 3.670 3.308 2.260 3.707 0.037 7 0 "[ . 1 .]" 1
978 1 62 THR HB 1 63 PHE H . . 3.670 2.677 2.626 2.799 . 0 0 "[ . 1 .]" 1
979 1 62 THR HB 1 79 VAL MG1 . . 4.950 3.322 2.458 4.099 . 0 0 "[ . 1 .]" 1
980 1 62 THR HB 1 81 THR MG . . 3.730 2.637 2.293 2.988 . 0 0 "[ . 1 .]" 1
981 1 62 THR MG 1 63 PHE H . . 3.980 3.790 3.651 4.020 0.040 3 0 "[ . 1 .]" 1
982 1 62 THR MG 1 79 VAL MG1 . . 3.270 2.329 2.109 2.714 . 0 0 "[ . 1 .]" 1
983 1 63 PHE H 1 63 PHE HB2 . . 3.650 2.540 2.403 2.798 . 0 0 "[ . 1 .]" 1
984 1 63 PHE H 1 63 PHE QB . . 3.190 2.191 2.141 2.229 . 0 0 "[ . 1 .]" 1
985 1 63 PHE H 1 63 PHE HB3 . . 3.650 2.408 2.260 2.559 . 0 0 "[ . 1 .]" 1
986 1 63 PHE H 1 64 SER H . . 3.660 2.752 2.384 2.966 . 0 0 "[ . 1 .]" 1
987 1 63 PHE H 1 81 THR MG . . 4.050 3.161 2.787 4.041 . 0 0 "[ . 1 .]" 1
988 1 63 PHE HA 1 63 PHE QD . . 4.190 2.938 2.771 3.094 . 0 0 "[ . 1 .]" 1
989 1 63 PHE HA 1 66 ALA H . . 4.660 3.845 3.558 4.291 . 0 0 "[ . 1 .]" 1
990 1 63 PHE HA 1 66 ALA MB . . 4.220 3.031 2.563 3.614 . 0 0 "[ . 1 .]" 1
991 1 63 PHE HA 1 79 VAL MG1 . . 3.730 2.476 2.290 2.654 . 0 0 "[ . 1 .]" 1
992 1 63 PHE HA 1 79 VAL MG2 . . 5.190 3.629 3.350 4.029 . 0 0 "[ . 1 .]" 1
993 1 63 PHE HA 1 81 THR MG . . 4.760 3.672 3.383 4.122 . 0 0 "[ . 1 .]" 1
994 1 63 PHE HA 1 88 ILE MD . . 4.090 3.349 2.831 4.097 0.007 10 0 "[ . 1 .]" 1
995 1 63 PHE QB 1 64 SER H . . 3.480 2.457 2.382 2.547 . 0 0 "[ . 1 .]" 1
996 1 63 PHE QB 1 81 THR MG . . 3.520 2.461 2.157 3.012 . 0 0 "[ . 1 .]" 1
997 1 63 PHE HB2 1 64 SER H . . 4.200 3.863 3.816 3.931 . 0 0 "[ . 1 .]" 1
998 1 63 PHE HB3 1 64 SER H . . 4.200 2.485 2.406 2.580 . 0 0 "[ . 1 .]" 1
999 1 63 PHE QD 1 64 SER H . . 4.450 3.123 2.886 3.257 . 0 0 "[ . 1 .]" 1
1000 1 63 PHE QD 1 64 SER HA . . 3.970 3.056 2.793 3.287 . 0 0 "[ . 1 .]" 1
1001 1 63 PHE QD 1 67 ALA MB . . 4.220 3.676 3.195 3.951 . 0 0 "[ . 1 .]" 1
1002 1 63 PHE QD 1 81 THR MG . . 4.740 3.406 3.071 3.925 . 0 0 "[ . 1 .]" 1
1003 1 63 PHE QD 1 88 ILE MD . . 4.160 3.284 2.878 3.702 . 0 0 "[ . 1 .]" 1
1004 1 63 PHE QD 1 88 ILE HG12 . . 4.250 3.422 3.079 3.899 . 0 0 "[ . 1 .]" 1
1005 1 63 PHE QE 1 64 SER HA . . 4.450 4.292 4.009 4.456 0.006 3 0 "[ . 1 .]" 1
1006 1 63 PHE QE 1 67 ALA MB . . 3.920 3.337 2.862 3.638 . 0 0 "[ . 1 .]" 1
1007 1 63 PHE QE 1 86 HIS QB . . 4.390 2.590 2.328 2.836 . 0 0 "[ . 1 .]" 1
1008 1 63 PHE QE 1 88 ILE MD . . 4.350 3.363 3.035 3.789 . 0 0 "[ . 1 .]" 1
1009 1 63 PHE QE 1 88 ILE HG12 . . 3.930 2.506 2.212 3.047 . 0 0 "[ . 1 .]" 1
1010 1 63 PHE QE 1 88 ILE MG . . 4.370 2.825 2.537 3.176 . 0 0 "[ . 1 .]" 1
1011 1 63 PHE HZ 1 88 ILE MD . . 5.390 4.180 3.542 5.098 . 0 0 "[ . 1 .]" 1
1012 1 63 PHE HZ 1 88 ILE HG12 . . 4.760 3.659 3.213 4.105 . 0 0 "[ . 1 .]" 1
1013 1 63 PHE HZ 1 88 ILE MG . . 4.140 2.350 2.147 2.494 . 0 0 "[ . 1 .]" 1
1014 1 64 SER H 1 64 SER QB . . 3.650 2.559 2.434 2.652 . 0 0 "[ . 1 .]" 1
1015 1 64 SER H 1 64 SER HG . . 4.470 2.332 2.013 3.629 . 0 0 "[ . 1 .]" 1
1016 1 64 SER H 1 65 LYS H . . 3.800 2.861 2.757 3.004 . 0 0 "[ . 1 .]" 1
1017 1 64 SER HA 1 67 ALA H . . 4.030 3.384 3.104 3.748 . 0 0 "[ . 1 .]" 1
1018 1 64 SER HA 1 67 ALA MB . . 3.540 2.532 2.266 3.007 . 0 0 "[ . 1 .]" 1
1019 1 64 SER QB 1 65 LYS H . . 4.030 2.934 2.442 3.532 . 0 0 "[ . 1 .]" 1
1020 1 64 SER QB 1 67 ALA MB . . 4.570 3.953 3.516 4.443 . 0 0 "[ . 1 .]" 1
1021 1 64 SER QB 1 68 PHE QD . . 4.740 3.321 2.593 4.441 . 0 0 "[ . 1 .]" 1
1022 1 65 LYS H 1 65 LYS HB2 . . 3.720 2.845 2.394 3.638 . 0 0 "[ . 1 .]" 1
1023 1 65 LYS H 1 65 LYS QB . . 3.150 2.411 2.338 2.476 . 0 0 "[ . 1 .]" 1
1024 1 65 LYS H 1 65 LYS HB3 . . 3.720 3.220 2.369 3.640 . 0 0 "[ . 1 .]" 1
1025 1 65 LYS H 1 65 LYS QD . . 4.440 3.899 3.583 4.367 . 0 0 "[ . 1 .]" 1
1026 1 65 LYS H 1 65 LYS QG . . 3.410 2.334 2.126 2.474 . 0 0 "[ . 1 .]" 1
1027 1 65 LYS H 1 66 ALA H . . 3.480 2.811 2.633 2.913 . 0 0 "[ . 1 .]" 1
1028 1 65 LYS HA 1 65 LYS HG2 . . 3.880 2.927 2.378 3.836 . 0 0 "[ . 1 .]" 1
1029 1 65 LYS HA 1 65 LYS QG . . 3.390 2.706 2.278 3.390 0.000 11 0 "[ . 1 .]" 1
1030 1 65 LYS HA 1 65 LYS HG3 . . 3.880 3.253 2.776 3.817 . 0 0 "[ . 1 .]" 1
1031 1 65 LYS QB 1 68 PHE H . . 5.340 5.129 4.861 5.318 . 0 0 "[ . 1 .]" 1
1032 1 65 LYS HB2 1 66 ALA H . . 3.920 3.107 2.528 3.958 0.038 14 0 "[ . 1 .]" 1
1033 1 65 LYS HB3 1 66 ALA H . . 3.920 3.704 3.367 3.967 0.047 11 0 "[ . 1 .]" 1
1034 1 65 LYS QG 1 66 ALA H . . 4.520 3.579 2.266 4.383 . 0 0 "[ . 1 .]" 1
1035 1 66 ALA H 1 66 ALA MB . . 3.090 2.223 2.201 2.251 . 0 0 "[ . 1 .]" 1
1036 1 66 ALA H 1 67 ALA H . . 3.090 2.764 2.599 2.910 . 0 0 "[ . 1 .]" 1
1037 1 66 ALA H 1 79 VAL MG1 . . 5.290 4.175 4.000 4.387 . 0 0 "[ . 1 .]" 1
1038 1 66 ALA H 1 88 ILE MD . . 5.500 4.432 3.969 5.354 . 0 0 "[ . 1 .]" 1
1039 1 66 ALA HA 1 68 PHE H . . 4.300 4.326 4.194 4.353 0.053 10 0 "[ . 1 .]" 1
1040 1 66 ALA HA 1 69 LYS QB . . 3.840 2.908 2.433 3.801 . 0 0 "[ . 1 .]" 1
1041 1 66 ALA HA 1 69 LYS QD . . 3.810 3.247 2.167 3.791 . 0 0 "[ . 1 .]" 1
1042 1 66 ALA MB 1 67 ALA H . . 3.520 2.583 2.447 3.007 . 0 0 "[ . 1 .]" 1
1043 1 66 ALA MB 1 68 PHE H . . 5.290 4.587 4.524 4.709 . 0 0 "[ . 1 .]" 1
1044 1 66 ALA MB 1 79 VAL MG1 . . 3.930 2.721 2.354 3.096 . 0 0 "[ . 1 .]" 1
1045 1 66 ALA MB 1 79 VAL MG2 . . 3.140 2.195 1.929 2.386 . 0 0 "[ . 1 .]" 1
1046 1 66 ALA MB 1 88 ILE MD . . 3.450 2.313 2.072 2.789 . 0 0 "[ . 1 .]" 1
1047 1 67 ALA H 1 67 ALA MB . . 3.170 2.204 2.183 2.279 . 0 0 "[ . 1 .]" 1
1048 1 67 ALA H 1 70 LEU QD . . 4.240 4.192 4.074 4.275 0.035 1 0 "[ . 1 .]" 1
1049 1 67 ALA H 1 79 VAL MG1 . . 5.500 5.236 5.040 5.557 0.057 11 0 "[ . 1 .]" 1
1050 1 67 ALA H 1 88 ILE MD . . 4.250 3.289 2.682 4.240 . 0 0 "[ . 1 .]" 1
1051 1 67 ALA H 1 88 ILE MG . . 4.590 4.334 4.026 4.607 0.017 10 0 "[ . 1 .]" 1
1052 1 67 ALA HA 1 69 LYS H . . 5.330 4.310 3.832 4.617 . 0 0 "[ . 1 .]" 1
1053 1 67 ALA HA 1 70 LEU H . . 4.720 4.202 3.694 4.760 0.040 10 0 "[ . 1 .]" 1
1054 1 67 ALA HA 1 70 LEU QD . . 3.310 2.252 2.131 2.707 . 0 0 "[ . 1 .]" 1
1055 1 67 ALA HA 1 70 LEU HG . . 4.010 3.715 2.908 4.061 0.051 3 0 "[ . 1 .]" 1
1056 1 67 ALA HA 1 88 ILE MD . . 4.740 3.229 2.477 3.937 . 0 0 "[ . 1 .]" 1
1057 1 67 ALA HA 1 88 ILE MG . . 3.600 3.206 2.905 3.602 0.002 6 0 "[ . 1 .]" 1
1058 1 67 ALA MB 1 68 PHE H . . 3.640 2.691 2.621 2.803 . 0 0 "[ . 1 .]" 1
1059 1 67 ALA MB 1 68 PHE HA . . 3.930 3.961 3.943 3.971 0.041 9 0 "[ . 1 .]" 1
1060 1 67 ALA MB 1 68 PHE QD . . 4.010 2.900 2.661 3.186 . 0 0 "[ . 1 .]" 1
1061 1 67 ALA MB 1 68 PHE QE . . 4.480 4.168 3.867 4.488 0.008 6 0 "[ . 1 .]" 1
1062 1 67 ALA MB 1 88 ILE MD . . 4.070 2.986 2.283 4.071 0.001 14 0 "[ . 1 .]" 1
1063 1 67 ALA MB 1 88 ILE MG . . 3.360 2.507 2.148 2.989 . 0 0 "[ . 1 .]" 1
1064 1 68 PHE H 1 68 PHE HB2 . . 3.700 2.203 2.176 2.249 . 0 0 "[ . 1 .]" 1
1065 1 68 PHE H 1 68 PHE QB . . 3.140 2.181 2.155 2.225 . 0 0 "[ . 1 .]" 1
1066 1 68 PHE H 1 68 PHE HB3 . . 3.700 3.490 3.455 3.524 . 0 0 "[ . 1 .]" 1
1067 1 68 PHE H 1 68 PHE QD . . 3.700 2.711 2.467 2.890 . 0 0 "[ . 1 .]" 1
1068 1 68 PHE H 1 69 LYS H . . 3.640 2.610 2.498 2.789 . 0 0 "[ . 1 .]" 1
1069 1 68 PHE H 1 69 LYS QB . . 5.340 4.376 4.162 4.783 . 0 0 "[ . 1 .]" 1
1070 1 68 PHE HA 1 68 PHE QD . . 3.800 3.043 2.993 3.072 . 0 0 "[ . 1 .]" 1
1071 1 68 PHE HA 1 70 LEU H . . 4.630 4.024 3.584 4.644 0.014 6 0 "[ . 1 .]" 1
1072 1 68 PHE HA 1 90 LYS QE . . 4.540 3.564 3.211 4.491 . 0 0 "[ . 1 .]" 1
1073 1 68 PHE QB 1 69 LYS H . . 3.930 3.078 2.810 3.460 . 0 0 "[ . 1 .]" 1
1074 1 68 PHE HB2 1 69 LYS H . . 4.490 3.303 3.015 3.755 . 0 0 "[ . 1 .]" 1
1075 1 68 PHE HB3 1 69 LYS H . . 4.490 3.678 3.356 4.051 . 0 0 "[ . 1 .]" 1
1076 1 69 LYS H 1 69 LYS HB2 . . 3.640 2.577 2.285 3.597 . 0 0 "[ . 1 .]" 1
1077 1 69 LYS H 1 69 LYS QB . . 3.020 2.264 2.171 2.454 . 0 0 "[ . 1 .]" 1
1078 1 69 LYS H 1 69 LYS HB3 . . 3.640 2.740 2.410 3.656 0.016 8 0 "[ . 1 .]" 1
1079 1 69 LYS H 1 69 LYS QD . . 4.510 4.213 3.704 4.543 0.033 3 0 "[ . 1 .]" 1
1080 1 69 LYS H 1 69 LYS HG2 . . 4.680 4.067 2.154 4.577 . 0 0 "[ . 1 .]" 1
1081 1 69 LYS H 1 69 LYS QG . . 4.120 3.467 2.132 3.987 . 0 0 "[ . 1 .]" 1
1082 1 69 LYS H 1 69 LYS HG3 . . 4.680 3.937 2.327 4.477 . 0 0 "[ . 1 .]" 1
1083 1 69 LYS H 1 70 LEU H . . 3.410 2.726 2.549 3.004 . 0 0 "[ . 1 .]" 1
1084 1 70 LEU H 1 70 LEU HB2 . . 3.800 3.131 2.332 3.881 0.081 8 0 "[ . 1 .]" 1
1085 1 70 LEU H 1 70 LEU QB . . 3.180 2.688 2.303 3.158 . 0 0 "[ . 1 .]" 1
1086 1 70 LEU H 1 70 LEU HB3 . . 3.800 3.342 2.690 3.584 . 0 0 "[ . 1 .]" 1
1087 1 70 LEU H 1 70 LEU MD1 . . 4.260 3.717 3.394 4.208 . 0 0 "[ . 1 .]" 1
1088 1 70 LEU H 1 70 LEU MD2 . . 4.260 2.999 1.735 3.737 . 0 0 "[ . 1 .]" 1
1089 1 70 LEU H 1 70 LEU HG . . 3.240 2.456 2.164 2.850 . 0 0 "[ . 1 .]" 1
1090 1 70 LEU HA 1 70 LEU MD1 . . 4.210 3.948 3.707 4.067 . 0 0 "[ . 1 .]" 1
1091 1 70 LEU HA 1 70 LEU QD . . 3.390 2.854 2.156 3.434 0.044 7 0 "[ . 1 .]" 1
1092 1 70 LEU HA 1 70 LEU MD2 . . 4.210 3.051 2.167 4.057 . 0 0 "[ . 1 .]" 1
1093 1 70 LEU HA 1 70 LEU HG . . 3.720 3.376 2.907 3.746 0.026 3 0 "[ . 1 .]" 1
1094 1 70 LEU HA 1 71 LYS H . . 3.200 2.411 2.293 2.535 . 0 0 "[ . 1 .]" 1
1095 1 70 LEU QB 1 70 LEU QD . . 2.850 1.910 1.882 1.944 . 0 0 "[ . 1 .]" 1
1096 1 70 LEU QB 1 71 LYS H . . 3.780 2.269 2.024 2.572 . 0 0 "[ . 1 .]" 1
1097 1 70 LEU HB2 1 71 LYS H . . 4.380 2.879 2.037 3.712 . 0 0 "[ . 1 .]" 1
1098 1 70 LEU HB3 1 71 LYS H . . 4.380 3.035 2.242 3.886 . 0 0 "[ . 1 .]" 1
1099 1 70 LEU QD 1 71 LYS H . . 3.940 3.222 3.016 3.616 . 0 0 "[ . 1 .]" 1
1100 1 70 LEU QD 1 74 GLU QB . . 3.570 2.539 2.028 2.896 . 0 0 "[ . 1 .]" 1
1101 1 70 LEU QD 1 74 GLU QG . . 3.460 2.737 2.239 3.495 0.035 6 0 "[ . 1 .]" 1
1102 1 70 LEU QD 1 76 SER HA . . 3.440 2.806 2.481 3.433 . 0 0 "[ . 1 .]" 1
1103 1 70 LEU QD 1 76 SER QB . . 3.060 1.958 1.860 2.054 . 0 0 "[ . 1 .]" 1
1104 1 70 LEU QD 1 77 ASP H . . 5.440 4.270 3.955 4.800 . 0 0 "[ . 1 .]" 1
1105 1 70 LEU QD 1 88 ILE H . . 5.440 4.485 4.009 4.923 . 0 0 "[ . 1 .]" 1
1106 1 70 LEU QD 1 88 ILE HB . . 3.370 2.777 2.254 3.383 0.013 10 0 "[ . 1 .]" 1
1107 1 70 LEU QD 1 88 ILE MD . . 4.450 3.058 2.459 3.560 . 0 0 "[ . 1 .]" 1
1108 1 70 LEU QD 1 89 LYS H . . 5.440 4.183 3.834 4.790 . 0 0 "[ . 1 .]" 1
1109 1 70 LEU QD 1 90 LYS H . . 3.580 2.342 2.072 2.749 . 0 0 "[ . 1 .]" 1
1110 1 70 LEU MD1 1 71 LYS H . . 5.200 3.856 3.058 4.635 . 0 0 "[ . 1 .]" 1
1111 1 70 LEU MD1 1 76 SER H . . 4.460 3.571 2.812 4.447 . 0 0 "[ . 1 .]" 1
1112 1 70 LEU MD1 1 76 SER HA . . 4.170 3.776 3.263 4.211 0.041 6 0 "[ . 1 .]" 1
1113 1 70 LEU MD1 1 76 SER HB2 . . 5.330 2.588 2.064 3.566 . 0 0 "[ . 1 .]" 1
1114 1 70 LEU MD1 1 76 SER HB3 . . 5.330 3.329 2.061 4.895 . 0 0 "[ . 1 .]" 1
1115 1 70 LEU MD1 1 90 LYS H . . 4.240 2.364 2.077 2.814 . 0 0 "[ . 1 .]" 1
1116 1 70 LEU MD2 1 71 LYS H . . 5.200 3.983 3.138 4.803 . 0 0 "[ . 1 .]" 1
1117 1 70 LEU MD2 1 76 SER H . . 4.460 3.915 3.293 4.471 0.011 14 0 "[ . 1 .]" 1
1118 1 70 LEU MD2 1 76 SER HA . . 4.170 3.013 2.509 3.893 . 0 0 "[ . 1 .]" 1
1119 1 70 LEU MD2 1 76 SER HB2 . . 5.330 2.336 2.064 2.869 . 0 0 "[ . 1 .]" 1
1120 1 70 LEU MD2 1 76 SER HB3 . . 5.330 3.291 2.392 3.724 . 0 0 "[ . 1 .]" 1
1121 1 70 LEU MD2 1 90 LYS H . . 4.240 3.994 3.647 4.258 0.018 7 0 "[ . 1 .]" 1
1122 1 71 LYS H 1 71 LYS HB2 . . 3.960 3.722 2.716 3.861 . 0 0 "[ . 1 .]" 1
1123 1 71 LYS H 1 71 LYS QB . . 3.390 2.924 2.642 3.123 . 0 0 "[ . 1 .]" 1
1124 1 71 LYS H 1 71 LYS HB3 . . 3.960 3.108 2.752 3.618 . 0 0 "[ . 1 .]" 1
1125 1 71 LYS H 1 71 LYS QG . . 3.020 2.176 1.961 2.310 . 0 0 "[ . 1 .]" 1
1126 1 71 LYS H 1 74 GLU H . . 4.770 4.181 3.626 4.787 0.017 8 0 "[ . 1 .]" 1
1127 1 71 LYS H 1 74 GLU HB2 . . 4.180 3.443 2.990 4.183 0.003 11 0 "[ . 1 .]" 1
1128 1 71 LYS H 1 74 GLU QB . . 3.460 2.555 2.090 3.003 . 0 0 "[ . 1 .]" 1
1129 1 71 LYS H 1 74 GLU HB3 . . 4.180 2.703 2.134 4.194 0.014 6 0 "[ . 1 .]" 1
1130 1 71 LYS H 1 74 GLU HG2 . . 4.780 3.692 3.265 4.252 . 0 0 "[ . 1 .]" 1
1131 1 71 LYS H 1 74 GLU HG3 . . 4.780 4.375 3.081 4.793 0.013 15 0 "[ . 1 .]" 1
1132 1 71 LYS HA 1 71 LYS HG2 . . 4.110 3.731 2.697 3.849 . 0 0 "[ . 1 .]" 1
1133 1 71 LYS HA 1 71 LYS HG3 . . 4.110 3.763 3.377 3.831 . 0 0 "[ . 1 .]" 1
1134 1 71 LYS HA 1 72 THR H . . 3.440 2.261 2.195 2.428 . 0 0 "[ . 1 .]" 1
1135 1 71 LYS QB 1 72 THR H . . 3.250 2.696 2.539 2.835 . 0 0 "[ . 1 .]" 1
1136 1 71 LYS HB2 1 72 THR H . . 3.960 2.811 2.571 3.599 . 0 0 "[ . 1 .]" 1
1137 1 71 LYS HB3 1 72 THR H . . 3.960 3.861 2.634 3.999 0.039 12 0 "[ . 1 .]" 1
1138 1 71 LYS QG 1 74 GLU H . . 4.690 3.523 3.198 4.734 0.044 10 0 "[ . 1 .]" 1
1139 1 71 LYS QG 1 74 GLU QB . . 3.390 2.402 2.136 3.113 . 0 0 "[ . 1 .]" 1
1140 1 71 LYS QG 1 74 GLU QG . . 3.760 3.129 2.010 3.788 0.028 15 0 "[ . 1 .]" 1
1141 1 72 THR H 1 72 THR HB . . 3.640 2.512 2.308 3.120 . 0 0 "[ . 1 .]" 1
1142 1 72 THR H 1 72 THR MG . . 4.680 3.682 2.509 3.803 . 0 0 "[ . 1 .]" 1
1143 1 72 THR H 1 90 LYS QD . . 4.880 2.906 2.702 3.613 . 0 0 "[ . 1 .]" 1
1144 1 72 THR H 1 90 LYS QE . . 4.810 3.987 3.094 4.809 . 0 0 "[ . 1 .]" 1
1145 1 72 THR HA 1 72 THR MG . . 3.320 2.482 2.185 3.237 . 0 0 "[ . 1 .]" 1
1146 1 72 THR HA 1 73 GLY H . . 3.160 2.196 2.096 3.237 0.077 10 0 "[ . 1 .]" 1
1147 1 72 THR HA 1 73 GLY QA . . 4.550 3.967 3.935 4.196 . 0 0 "[ . 1 .]" 1
1148 1 72 THR HA 1 74 GLU H . . 4.200 3.638 3.480 4.149 . 0 0 "[ . 1 .]" 1
1149 1 72 THR HA 1 90 LYS HB2 . . 4.390 4.180 3.992 4.381 . 0 0 "[ . 1 .]" 1
1150 1 72 THR HA 1 90 LYS QB . . 3.760 2.517 2.286 2.782 . 0 0 "[ . 1 .]" 1
1151 1 72 THR HA 1 90 LYS HB3 . . 4.390 2.538 2.299 2.814 . 0 0 "[ . 1 .]" 1
1152 1 72 THR HA 1 90 LYS QD . . 4.230 2.989 2.208 3.476 . 0 0 "[ . 1 .]" 1
1153 1 72 THR HA 1 90 LYS QE . . 4.290 4.102 3.182 4.309 0.019 9 0 "[ . 1 .]" 1
1154 1 72 THR HA 1 90 LYS HG2 . . 4.480 2.734 2.374 3.012 . 0 0 "[ . 1 .]" 1
1155 1 72 THR HA 1 90 LYS QG . . 3.730 2.705 2.358 2.970 . 0 0 "[ . 1 .]" 1
1156 1 72 THR HA 1 90 LYS HG3 . . 4.480 4.314 3.978 4.519 0.039 13 0 "[ . 1 .]" 1
1157 1 72 THR MG 1 73 GLY H . . 3.510 2.867 2.662 3.197 . 0 0 "[ . 1 .]" 1
1158 1 72 THR MG 1 73 GLY HA2 . . 4.110 3.828 3.680 4.129 0.019 10 0 "[ . 1 .]" 1
1159 1 72 THR MG 1 73 GLY QA . . 3.600 3.398 3.266 3.609 0.009 13 0 "[ . 1 .]" 1
1160 1 72 THR MG 1 73 GLY HA3 . . 4.110 3.805 3.609 4.085 . 0 0 "[ . 1 .]" 1
1161 1 72 THR MG 1 74 GLU H . . 4.790 4.753 4.619 4.827 0.037 10 0 "[ . 1 .]" 1
1162 1 72 THR MG 1 90 LYS QE . . 5.000 4.668 3.600 5.013 0.013 10 0 "[ . 1 .]" 1
1163 1 72 THR MG 1 92 GLU H . . 5.150 3.593 3.202 5.053 . 0 0 "[ . 1 .]" 1
1164 1 72 THR MG 1 92 GLU HA . . 3.590 2.542 2.311 3.640 0.050 10 0 "[ . 1 .]" 1
1165 1 72 THR MG 1 93 GLU H . . 4.300 3.781 3.402 4.169 . 0 0 "[ . 1 .]" 1
1166 1 72 THR MG 1 93 GLU QB . . 4.450 4.418 3.800 4.474 0.024 1 0 "[ . 1 .]" 1
1167 1 72 THR MG 1 93 GLU QG . . 4.280 3.456 2.644 3.740 . 0 0 "[ . 1 .]" 1
1168 1 73 GLY H 1 74 GLU H . . 3.640 2.568 1.961 2.782 . 0 0 "[ . 1 .]" 1
1169 1 73 GLY H 1 90 LYS QB . . 4.220 3.175 2.609 3.776 . 0 0 "[ . 1 .]" 1
1170 1 73 GLY QA 1 89 LYS QE . . 3.920 3.037 2.615 3.920 . 0 0 "[ . 1 .]" 1
1171 1 74 GLU H 1 74 GLU HB2 . . 3.510 2.601 2.305 3.093 . 0 0 "[ . 1 .]" 1
1172 1 74 GLU H 1 74 GLU HB3 . . 3.510 2.601 2.339 3.563 0.053 6 0 "[ . 1 .]" 1
1173 1 74 GLU H 1 74 GLU QG . . 4.400 3.970 2.658 4.200 . 0 0 "[ . 1 .]" 1
1174 1 74 GLU H 1 75 VAL H . . 4.640 4.589 4.456 4.652 0.012 15 0 "[ . 1 .]" 1
1175 1 74 GLU H 1 90 LYS H . . 5.250 4.077 3.602 4.477 . 0 0 "[ . 1 .]" 1
1176 1 74 GLU H 1 90 LYS QB . . 4.870 3.482 2.968 3.714 . 0 0 "[ . 1 .]" 1
1177 1 74 GLU HA 1 74 GLU QG . . 3.560 2.901 2.318 3.114 . 0 0 "[ . 1 .]" 1
1178 1 74 GLU HA 1 75 VAL H . . 2.970 2.243 2.131 2.361 . 0 0 "[ . 1 .]" 1
1179 1 74 GLU HA 1 75 VAL QG . . 4.150 3.510 3.260 3.738 . 0 0 "[ . 1 .]" 1
1180 1 74 GLU QB 1 75 VAL H . . 3.930 3.464 2.384 3.724 . 0 0 "[ . 1 .]" 1
1181 1 74 GLU HB2 1 75 VAL H . . 4.470 4.058 3.744 4.277 . 0 0 "[ . 1 .]" 1
1182 1 74 GLU HB3 1 75 VAL H . . 4.470 3.790 2.412 4.136 . 0 0 "[ . 1 .]" 1
1183 1 74 GLU QG 1 75 VAL H . . 3.990 2.646 2.233 4.056 0.066 6 0 "[ . 1 .]" 1
1184 1 74 GLU HG2 1 75 VAL H . . 4.720 3.916 2.369 4.620 . 0 0 "[ . 1 .]" 1
1185 1 74 GLU HG3 1 75 VAL H . . 4.720 2.746 2.366 4.493 . 0 0 "[ . 1 .]" 1
1186 1 75 VAL H 1 75 VAL HB . . 3.680 2.909 2.408 3.700 0.020 11 0 "[ . 1 .]" 1
1187 1 75 VAL H 1 75 VAL MG1 . . 4.400 3.156 2.120 3.915 . 0 0 "[ . 1 .]" 1
1188 1 75 VAL H 1 75 VAL QG . . 3.510 2.350 1.936 2.772 . 0 0 "[ . 1 .]" 1
1189 1 75 VAL H 1 75 VAL MG2 . . 4.400 2.862 2.007 3.938 . 0 0 "[ . 1 .]" 1
1190 1 75 VAL HA 1 75 VAL MG1 . . 3.470 2.618 2.294 3.269 . 0 0 "[ . 1 .]" 1
1191 1 75 VAL HA 1 75 VAL QG . . 3.030 2.209 2.117 2.304 . 0 0 "[ . 1 .]" 1
1192 1 75 VAL HA 1 75 VAL MG2 . . 3.470 2.565 2.309 3.273 . 0 0 "[ . 1 .]" 1
1193 1 75 VAL HA 1 76 SER H . . 3.220 2.214 2.057 2.371 . 0 0 "[ . 1 .]" 1
1194 1 75 VAL HA 1 90 LYS H . . 4.860 3.976 3.687 4.282 . 0 0 "[ . 1 .]" 1
1195 1 75 VAL HB 1 76 SER H . . 4.420 3.712 2.365 4.232 . 0 0 "[ . 1 .]" 1
1196 1 75 VAL QG 1 76 SER H . . 3.810 2.549 2.171 3.251 . 0 0 "[ . 1 .]" 1
1197 1 75 VAL MG1 1 76 SER H . . 4.520 3.042 2.317 3.919 . 0 0 "[ . 1 .]" 1
1198 1 75 VAL MG2 1 76 SER H . . 4.520 3.425 2.187 4.085 . 0 0 "[ . 1 .]" 1
1199 1 76 SER H 1 76 SER HB2 . . 4.070 2.901 2.412 3.770 . 0 0 "[ . 1 .]" 1
1200 1 76 SER H 1 76 SER QB . . 3.440 2.316 2.181 2.615 . 0 0 "[ . 1 .]" 1
1201 1 76 SER H 1 76 SER HB3 . . 4.070 2.502 2.209 2.730 . 0 0 "[ . 1 .]" 1
1202 1 76 SER H 1 87 ILE MG . . 5.110 3.692 3.352 4.130 . 0 0 "[ . 1 .]" 1
1203 1 76 SER H 1 88 ILE HB . . 5.500 4.065 3.641 4.373 . 0 0 "[ . 1 .]" 1
1204 1 76 SER H 1 89 LYS HA . . 3.750 3.352 2.967 3.764 0.014 9 0 "[ . 1 .]" 1
1205 1 76 SER H 1 89 LYS QG . . 4.870 4.675 4.476 4.870 0.000 9 0 "[ . 1 .]" 1
1206 1 76 SER HA 1 77 ASP H . . 3.350 2.270 2.127 2.389 . 0 0 "[ . 1 .]" 1
1207 1 76 SER QB 1 77 ASP H . . 3.580 3.300 2.509 3.613 0.033 7 0 "[ . 1 .]" 1
1208 1 76 SER QB 1 79 VAL MG2 . . 4.880 3.843 3.445 4.261 . 0 0 "[ . 1 .]" 1
1209 1 76 SER QB 1 88 ILE HB . . 3.460 2.526 2.245 2.847 . 0 0 "[ . 1 .]" 1
1210 1 76 SER QB 1 88 ILE MD . . 4.660 2.781 2.277 3.346 . 0 0 "[ . 1 .]" 1
1211 1 76 SER QB 1 89 LYS HA . . 3.860 3.911 3.877 3.939 0.079 2 0 "[ . 1 .]" 1
1212 1 76 SER HB2 1 77 ASP H . . 4.270 3.746 2.540 4.227 . 0 0 "[ . 1 .]" 1
1213 1 76 SER HB2 1 88 ILE HB . . 4.040 3.184 2.488 4.000 . 0 0 "[ . 1 .]" 1
1214 1 76 SER HB3 1 77 ASP H . . 4.270 3.892 3.716 4.044 . 0 0 "[ . 1 .]" 1
1215 1 76 SER HB3 1 88 ILE HB . . 4.040 2.695 2.554 2.914 . 0 0 "[ . 1 .]" 1
1216 1 77 ASP H 1 77 ASP HB2 . . 4.200 3.474 2.584 3.648 . 0 0 "[ . 1 .]" 1
1217 1 77 ASP H 1 77 ASP QB . . 3.440 2.604 2.491 2.731 . 0 0 "[ . 1 .]" 1
1218 1 77 ASP H 1 77 ASP HB3 . . 4.200 2.808 2.542 3.634 . 0 0 "[ . 1 .]" 1
1219 1 77 ASP H 1 79 VAL MG2 . . 5.030 4.592 4.191 4.998 . 0 0 "[ . 1 .]" 1
1220 1 77 ASP HA 1 78 PRO HD2 . . 3.640 3.118 2.991 3.316 . 0 0 "[ . 1 .]" 1
1221 1 77 ASP HA 1 78 PRO QD . . 3.100 2.076 2.013 2.118 . 0 0 "[ . 1 .]" 1
1222 1 77 ASP HA 1 78 PRO HD3 . . 3.640 2.108 2.046 2.152 . 0 0 "[ . 1 .]" 1
1223 1 77 ASP HA 1 78 PRO HG2 . . 4.770 4.753 4.679 4.795 0.025 2 0 "[ . 1 .]" 1
1224 1 77 ASP HA 1 78 PRO QG . . 4.180 3.930 3.867 3.976 . 0 0 "[ . 1 .]" 1
1225 1 77 ASP HA 1 78 PRO HG3 . . 4.770 4.191 4.116 4.246 . 0 0 "[ . 1 .]" 1
1226 1 77 ASP QB 1 78 PRO QD . . 2.930 2.154 2.086 2.300 . 0 0 "[ . 1 .]" 1
1227 1 77 ASP HB2 1 78 PRO HD2 . . 3.820 2.422 2.180 3.519 . 0 0 "[ . 1 .]" 1
1228 1 77 ASP HB2 1 78 PRO HD3 . . 3.820 3.034 2.775 3.898 0.078 15 0 "[ . 1 .]" 1
1229 1 77 ASP HB3 1 78 PRO HD2 . . 3.820 3.624 2.267 3.844 0.024 9 0 "[ . 1 .]" 1
1230 1 77 ASP HB3 1 78 PRO HD3 . . 3.820 3.676 2.583 3.853 0.033 12 0 "[ . 1 .]" 1
1231 1 78 PRO HA 1 79 VAL H . . 3.190 2.197 2.153 2.238 . 0 0 "[ . 1 .]" 1
1232 1 78 PRO HA 1 79 VAL HB . . 5.090 4.538 4.365 4.747 . 0 0 "[ . 1 .]" 1
1233 1 78 PRO HA 1 87 ILE HA . . 4.040 3.071 2.790 3.470 . 0 0 "[ . 1 .]" 1
1234 1 78 PRO HA 1 87 ILE MD . . 4.400 4.034 3.821 4.328 . 0 0 "[ . 1 .]" 1
1235 1 78 PRO HA 1 87 ILE HG12 . . 4.130 2.695 2.467 3.027 . 0 0 "[ . 1 .]" 1
1236 1 78 PRO HA 1 87 ILE QG . . 3.550 2.513 2.287 2.741 . 0 0 "[ . 1 .]" 1
1237 1 78 PRO HA 1 87 ILE HG13 . . 4.130 3.322 2.560 4.131 0.001 15 0 "[ . 1 .]" 1
1238 1 78 PRO QB 1 87 ILE MD . . 4.330 3.870 3.338 4.254 . 0 0 "[ . 1 .]" 1
1239 1 78 PRO HB2 1 85 TYR QD . . 4.190 3.743 2.765 4.204 0.014 11 0 "[ . 1 .]" 1
1240 1 78 PRO HB3 1 85 TYR QD . . 4.190 3.517 2.658 3.960 . 0 0 "[ . 1 .]" 1
1241 1 79 VAL H 1 79 VAL HB . . 3.510 2.684 2.515 2.801 . 0 0 "[ . 1 .]" 1
1242 1 79 VAL H 1 79 VAL MG1 . . 4.190 3.909 3.816 3.973 . 0 0 "[ . 1 .]" 1
1243 1 79 VAL H 1 79 VAL MG2 . . 3.840 2.714 2.285 2.895 . 0 0 "[ . 1 .]" 1
1244 1 79 VAL H 1 85 TYR QD . . 5.310 4.015 3.176 4.772 . 0 0 "[ . 1 .]" 1
1245 1 79 VAL H 1 87 ILE MD . . 5.500 5.395 5.249 5.535 0.035 6 0 "[ . 1 .]" 1
1246 1 79 VAL HA 1 79 VAL MG1 . . 3.380 2.387 2.333 2.429 . 0 0 "[ . 1 .]" 1
1247 1 79 VAL HA 1 79 VAL MG2 . . 3.370 2.465 2.352 2.627 . 0 0 "[ . 1 .]" 1
1248 1 79 VAL HA 1 80 LYS H . . 3.090 2.207 2.147 2.352 . 0 0 "[ . 1 .]" 1
1249 1 79 VAL HA 1 80 LYS HB2 . . 4.730 4.527 4.253 4.706 . 0 0 "[ . 1 .]" 1
1250 1 79 VAL HA 1 80 LYS HB3 . . 4.730 4.647 4.412 4.745 0.015 5 0 "[ . 1 .]" 1
1251 1 79 VAL HB 1 80 LYS H . . 4.670 4.237 3.652 4.441 . 0 0 "[ . 1 .]" 1
1252 1 79 VAL HB 1 86 HIS QB . . 3.650 2.396 2.189 2.858 . 0 0 "[ . 1 .]" 1
1253 1 79 VAL HB 1 86 HIS HD2 . . 5.150 4.674 4.047 4.942 . 0 0 "[ . 1 .]" 1
1254 1 79 VAL HB 1 88 ILE MD . . 4.170 3.313 2.630 3.721 . 0 0 "[ . 1 .]" 1
1255 1 79 VAL MG1 1 80 LYS H . . 3.880 2.881 2.228 3.115 . 0 0 "[ . 1 .]" 1
1256 1 79 VAL MG1 1 81 THR MG . . 3.650 2.596 2.419 2.966 . 0 0 "[ . 1 .]" 1
1257 1 79 VAL MG1 1 86 HIS H . . 5.020 4.286 4.076 4.503 . 0 0 "[ . 1 .]" 1
1258 1 79 VAL MG1 1 86 HIS HD2 . . 4.780 4.693 4.225 4.794 0.014 3 0 "[ . 1 .]" 1
1259 1 79 VAL MG1 1 88 ILE MD . . 3.740 3.359 3.190 3.641 . 0 0 "[ . 1 .]" 1
1260 1 79 VAL MG2 1 80 LYS H . . 4.260 4.194 3.994 4.280 0.020 7 0 "[ . 1 .]" 1
1261 1 79 VAL MG2 1 86 HIS QB . . 4.530 3.637 3.187 4.080 . 0 0 "[ . 1 .]" 1
1262 1 79 VAL MG2 1 87 ILE HA . . 4.350 3.763 3.457 4.059 . 0 0 "[ . 1 .]" 1
1263 1 79 VAL MG2 1 88 ILE H . . 4.310 4.325 4.258 4.343 0.033 3 0 "[ . 1 .]" 1
1264 1 79 VAL MG2 1 88 ILE MD . . 3.490 2.207 1.975 2.529 . 0 0 "[ . 1 .]" 1
1265 1 80 LYS H 1 80 LYS HB2 . . 3.550 2.625 2.455 2.985 . 0 0 "[ . 1 .]" 1
1266 1 80 LYS H 1 80 LYS HB3 . . 3.550 2.538 2.315 2.697 . 0 0 "[ . 1 .]" 1
1267 1 80 LYS H 1 81 THR H . . 5.200 4.604 4.462 4.651 . 0 0 "[ . 1 .]" 1
1268 1 80 LYS H 1 81 THR MG . . 5.440 4.342 3.917 4.542 . 0 0 "[ . 1 .]" 1
1269 1 80 LYS H 1 85 TYR QE . . 5.500 4.417 3.568 5.304 . 0 0 "[ . 1 .]" 1
1270 1 80 LYS HA 1 80 LYS QD . . 4.400 3.527 2.255 4.006 . 0 0 "[ . 1 .]" 1
1271 1 80 LYS HA 1 80 LYS QG . . 3.450 2.556 2.324 3.164 . 0 0 "[ . 1 .]" 1
1272 1 80 LYS HA 1 81 THR H . . 3.320 2.205 2.161 2.235 . 0 0 "[ . 1 .]" 1
1273 1 80 LYS HA 1 85 TYR H . . 5.500 4.997 4.895 5.165 . 0 0 "[ . 1 .]" 1
1274 1 80 LYS HA 1 85 TYR HA . . 3.590 2.449 2.330 2.638 . 0 0 "[ . 1 .]" 1
1275 1 80 LYS HA 1 85 TYR QD . . 5.060 3.163 2.878 3.681 . 0 0 "[ . 1 .]" 1
1276 1 80 LYS HA 1 85 TYR QE . . 4.160 3.969 3.639 4.189 0.029 10 0 "[ . 1 .]" 1
1277 1 80 LYS HA 1 86 HIS HD2 . . 4.950 4.213 3.690 4.578 . 0 0 "[ . 1 .]" 1
1278 1 80 LYS QB 1 80 LYS QD . . 3.200 2.237 2.144 2.478 . 0 0 "[ . 1 .]" 1
1279 1 80 LYS QB 1 85 TYR QD . . 5.340 3.244 2.891 3.857 . 0 0 "[ . 1 .]" 1
1280 1 80 LYS HB2 1 85 TYR QE . . 4.380 2.605 2.459 2.899 . 0 0 "[ . 1 .]" 1
1281 1 80 LYS HB3 1 85 TYR QE . . 4.380 4.227 4.151 4.382 0.002 12 0 "[ . 1 .]" 1
1282 1 80 LYS QD 1 81 THR H . . 4.580 3.904 2.109 4.590 0.010 7 0 "[ . 1 .]" 1
1283 1 80 LYS HD2 1 85 TYR QE . . 5.040 3.212 2.535 4.214 . 0 0 "[ . 1 .]" 1
1284 1 80 LYS HD3 1 85 TYR QE . . 5.040 4.020 2.725 4.796 . 0 0 "[ . 1 .]" 1
1285 1 80 LYS QE 1 80 LYS QG . . 3.310 2.186 2.087 2.373 . 0 0 "[ . 1 .]" 1
1286 1 80 LYS QG 1 81 THR H . . 4.000 2.628 2.398 3.178 . 0 0 "[ . 1 .]" 1
1287 1 80 LYS HG2 1 81 THR H . . 4.580 3.116 2.543 4.497 . 0 0 "[ . 1 .]" 1
1288 1 80 LYS HG3 1 81 THR H . . 4.580 3.003 2.832 3.250 . 0 0 "[ . 1 .]" 1
1289 1 81 THR H 1 81 THR MG . . 3.990 2.992 2.875 3.054 . 0 0 "[ . 1 .]" 1
1290 1 81 THR H 1 83 TYR H . . 5.500 4.164 4.046 4.360 . 0 0 "[ . 1 .]" 1
1291 1 81 THR H 1 85 TYR HA . . 4.400 3.377 3.263 3.617 . 0 0 "[ . 1 .]" 1
1292 1 81 THR H 1 86 HIS HD2 . . 4.270 3.823 3.584 3.993 . 0 0 "[ . 1 .]" 1
1293 1 81 THR HB 1 82 GLN H . . 3.910 2.148 2.072 2.201 . 0 0 "[ . 1 .]" 1
1294 1 81 THR HB 1 82 GLN QB . . 4.720 4.357 4.261 4.531 . 0 0 "[ . 1 .]" 1
1295 1 81 THR HB 1 82 GLN QG . . 5.220 3.176 3.021 3.377 . 0 0 "[ . 1 .]" 1
1296 1 81 THR HB 1 83 TYR H . . 4.650 2.888 2.713 2.990 . 0 0 "[ . 1 .]" 1
1297 1 81 THR MG 1 83 TYR H . . 5.500 4.033 3.978 4.077 . 0 0 "[ . 1 .]" 1
1298 1 81 THR MG 1 83 TYR QD . . 4.530 3.570 3.058 3.964 . 0 0 "[ . 1 .]" 1
1299 1 81 THR MG 1 83 TYR QE . . 5.460 4.668 3.808 5.248 . 0 0 "[ . 1 .]" 1
1300 1 81 THR MG 1 86 HIS H . . 5.150 3.743 3.479 4.447 . 0 0 "[ . 1 .]" 1
1301 1 81 THR MG 1 86 HIS HD2 . . 3.750 2.432 2.129 2.608 . 0 0 "[ . 1 .]" 1
1302 1 82 GLN H 1 82 GLN QB . . 3.700 2.446 2.378 2.550 . 0 0 "[ . 1 .]" 1
1303 1 82 GLN H 1 82 GLN QG . . 4.540 2.187 2.110 2.268 . 0 0 "[ . 1 .]" 1
1304 1 82 GLN H 1 83 TYR H . . 4.340 2.767 2.699 2.841 . 0 0 "[ . 1 .]" 1
1305 1 82 GLN HA 1 82 GLN QG . . 3.640 3.383 3.363 3.401 . 0 0 "[ . 1 .]" 1
1306 1 82 GLN QB 1 83 TYR QD . . 5.340 4.670 4.605 4.811 . 0 0 "[ . 1 .]" 1
1307 1 82 GLN QB 1 83 TYR QE . . 5.340 4.747 4.637 4.982 . 0 0 "[ . 1 .]" 1
1308 1 82 GLN QG 1 83 TYR HA . . 4.330 3.729 3.635 3.902 . 0 0 "[ . 1 .]" 1
1309 1 82 GLN QG 1 83 TYR QD . . 4.510 3.010 2.862 3.202 . 0 0 "[ . 1 .]" 1
1310 1 82 GLN QG 1 84 GLY H . . 5.340 4.812 4.710 5.031 . 0 0 "[ . 1 .]" 1
1311 1 82 GLN HG2 1 83 TYR H . . 4.880 3.136 2.860 3.553 . 0 0 "[ . 1 .]" 1
1312 1 82 GLN HG2 1 83 TYR QE . . 5.500 3.337 3.066 3.641 . 0 0 "[ . 1 .]" 1
1313 1 82 GLN HG3 1 83 TYR H . . 4.880 3.292 3.043 3.507 . 0 0 "[ . 1 .]" 1
1314 1 82 GLN HG3 1 83 TYR QE . . 5.500 3.306 3.243 3.477 . 0 0 "[ . 1 .]" 1
1315 1 83 TYR H 1 83 TYR QB . . 3.640 2.511 2.462 2.569 . 0 0 "[ . 1 .]" 1
1316 1 83 TYR H 1 83 TYR QD . . 4.420 2.938 2.715 3.125 . 0 0 "[ . 1 .]" 1
1317 1 83 TYR H 1 84 GLY H . . 3.370 2.270 2.187 2.426 . 0 0 "[ . 1 .]" 1
1318 1 83 TYR HA 1 83 TYR QD . . 3.500 2.557 2.463 2.699 . 0 0 "[ . 1 .]" 1
1319 1 83 TYR QB 1 84 GLY H . . 4.000 2.847 2.742 2.988 . 0 0 "[ . 1 .]" 1
1320 1 83 TYR HB2 1 84 GLY H . . 4.810 2.917 2.798 3.075 . 0 0 "[ . 1 .]" 1
1321 1 83 TYR HB3 1 84 GLY H . . 4.810 3.983 3.894 4.061 . 0 0 "[ . 1 .]" 1
1322 1 84 GLY H 1 85 TYR H . . 4.440 4.064 3.940 4.260 . 0 0 "[ . 1 .]" 1
1323 1 84 GLY QA 1 85 TYR QB . . 5.180 4.100 3.956 4.147 . 0 0 "[ . 1 .]" 1
1324 1 85 TYR H 1 85 TYR HB2 . . 4.190 2.649 2.454 2.720 . 0 0 "[ . 1 .]" 1
1325 1 85 TYR H 1 85 TYR QB . . 3.550 2.599 2.415 2.666 . 0 0 "[ . 1 .]" 1
1326 1 85 TYR H 1 85 TYR HB3 . . 4.190 3.764 3.604 3.827 . 0 0 "[ . 1 .]" 1
1327 1 85 TYR H 1 85 TYR QD . . 4.080 3.082 2.913 3.523 . 0 0 "[ . 1 .]" 1
1328 1 85 TYR HA 1 85 TYR QD . . 3.940 3.015 2.931 3.073 . 0 0 "[ . 1 .]" 1
1329 1 85 TYR HA 1 86 HIS H . . 3.300 2.205 2.104 2.293 . 0 0 "[ . 1 .]" 1
1330 1 85 TYR HA 1 86 HIS HD2 . . 4.220 2.910 2.740 3.480 . 0 0 "[ . 1 .]" 1
1331 1 85 TYR QB 1 86 HIS H . . 4.070 2.866 2.566 3.471 . 0 0 "[ . 1 .]" 1
1332 1 85 TYR HB2 1 86 HIS H . . 4.810 4.057 3.839 4.499 . 0 0 "[ . 1 .]" 1
1333 1 85 TYR HB3 1 86 HIS H . . 4.810 2.933 2.606 3.610 . 0 0 "[ . 1 .]" 1
1334 1 86 HIS H 1 86 HIS QB . . 3.610 2.543 2.421 2.658 . 0 0 "[ . 1 .]" 1
1335 1 86 HIS H 1 86 HIS HD2 . . 3.920 2.856 2.482 3.114 . 0 0 "[ . 1 .]" 1
1336 1 86 HIS HA 1 87 ILE H . . 3.220 2.218 2.170 2.266 . 0 0 "[ . 1 .]" 1
1337 1 86 HIS HA 1 87 ILE HB . . 4.700 4.547 4.235 4.735 0.035 15 0 "[ . 1 .]" 1
1338 1 86 HIS HA 1 87 ILE MD . . 5.500 5.078 4.821 5.450 . 0 0 "[ . 1 .]" 1
1339 1 86 HIS QB 1 87 ILE H . . 3.920 2.768 2.471 3.642 . 0 0 "[ . 1 .]" 1
1340 1 86 HIS QB 1 88 ILE MD . . 3.880 3.537 3.231 3.893 0.013 15 0 "[ . 1 .]" 1
1341 1 86 HIS QB 1 88 ILE HG12 . . 5.120 3.515 2.878 4.357 . 0 0 "[ . 1 .]" 1
1342 1 86 HIS QB 1 88 ILE HG13 . . 3.820 3.547 2.982 3.835 0.015 15 0 "[ . 1 .]" 1
1343 1 86 HIS HB2 1 87 ILE H . . 4.660 3.922 3.695 4.510 . 0 0 "[ . 1 .]" 1
1344 1 86 HIS HB2 1 88 ILE MD . . 4.510 3.946 3.571 4.329 . 0 0 "[ . 1 .]" 1
1345 1 86 HIS HB2 1 88 ILE HG13 . . 4.440 4.346 3.761 4.472 0.032 15 0 "[ . 1 .]" 1
1346 1 86 HIS HB3 1 87 ILE H . . 4.660 2.837 2.510 3.844 . 0 0 "[ . 1 .]" 1
1347 1 86 HIS HB3 1 88 ILE MD . . 4.510 3.999 3.690 4.413 . 0 0 "[ . 1 .]" 1
1348 1 86 HIS HB3 1 88 ILE HG13 . . 4.440 3.792 3.127 4.192 . 0 0 "[ . 1 .]" 1
1349 1 87 ILE H 1 87 ILE HB . . 3.760 2.665 2.318 2.900 . 0 0 "[ . 1 .]" 1
1350 1 87 ILE H 1 87 ILE MD . . 4.200 4.124 3.771 4.207 0.007 10 0 "[ . 1 .]" 1
1351 1 87 ILE H 1 87 ILE QG . . 3.960 2.988 2.702 3.335 . 0 0 "[ . 1 .]" 1
1352 1 87 ILE HA 1 87 ILE HG12 . . 3.910 2.626 2.463 2.859 . 0 0 "[ . 1 .]" 1
1353 1 87 ILE HA 1 87 ILE HG13 . . 3.910 3.031 2.662 3.382 . 0 0 "[ . 1 .]" 1
1354 1 87 ILE HA 1 87 ILE MG . . 3.650 2.493 2.327 2.702 . 0 0 "[ . 1 .]" 1
1355 1 87 ILE HA 1 88 ILE H . . 3.270 2.260 2.194 2.312 . 0 0 "[ . 1 .]" 1
1356 1 87 ILE HA 1 88 ILE HB . . 5.500 4.976 4.902 5.039 . 0 0 "[ . 1 .]" 1
1357 1 87 ILE HA 1 88 ILE MD . . 4.580 3.867 2.682 4.620 0.040 9 0 "[ . 1 .]" 1
1358 1 87 ILE HA 1 88 ILE HG13 . . 4.670 3.394 3.123 3.832 . 0 0 "[ . 1 .]" 1
1359 1 87 ILE HB 1 87 ILE MD . . 3.540 2.387 2.329 2.433 . 0 0 "[ . 1 .]" 1
1360 1 87 ILE MG 1 88 ILE H . . 3.980 2.482 2.286 2.702 . 0 0 "[ . 1 .]" 1
1361 1 88 ILE H 1 88 ILE HB . . 3.620 3.059 2.961 3.175 . 0 0 "[ . 1 .]" 1
1362 1 88 ILE H 1 88 ILE MD . . 4.540 3.194 1.986 4.027 . 0 0 "[ . 1 .]" 1
1363 1 88 ILE H 1 88 ILE HG12 . . 4.420 3.787 3.414 4.286 . 0 0 "[ . 1 .]" 1
1364 1 88 ILE H 1 88 ILE HG13 . . 3.690 2.723 2.336 3.263 . 0 0 "[ . 1 .]" 1
1365 1 88 ILE HA 1 88 ILE MD . . 4.710 3.953 3.724 4.109 . 0 0 "[ . 1 .]" 1
1366 1 88 ILE HA 1 88 ILE MG . . 3.670 2.206 2.183 2.240 . 0 0 "[ . 1 .]" 1
1367 1 88 ILE HA 1 89 LYS H . . 3.480 2.238 2.196 2.278 . 0 0 "[ . 1 .]" 1
1368 1 88 ILE HB 1 88 ILE MD . . 3.350 2.282 2.250 2.302 . 0 0 "[ . 1 .]" 1
1369 1 88 ILE HB 1 89 LYS HA . . 4.700 4.045 3.917 4.216 . 0 0 "[ . 1 .]" 1
1370 1 88 ILE MD 1 88 ILE MG . . 3.200 2.497 2.047 3.163 . 0 0 "[ . 1 .]" 1
1371 1 88 ILE MD 1 89 LYS HA . . 5.500 5.551 5.518 5.593 0.093 15 0 "[ . 1 .]" 1
1372 1 88 ILE MG 1 89 LYS H . . 3.580 2.067 1.918 2.211 . 0 0 "[ . 1 .]" 1
1373 1 88 ILE MG 1 89 LYS HA . . 5.080 3.838 3.748 3.923 . 0 0 "[ . 1 .]" 1
1374 1 88 ILE MG 1 90 LYS H . . 5.180 4.230 4.072 4.435 . 0 0 "[ . 1 .]" 1
1375 1 89 LYS H 1 89 LYS HB2 . . 3.990 3.301 3.224 3.368 . 0 0 "[ . 1 .]" 1
1376 1 89 LYS H 1 89 LYS QB . . 3.430 2.650 2.595 2.725 . 0 0 "[ . 1 .]" 1
1377 1 89 LYS H 1 89 LYS HB3 . . 3.990 2.792 2.716 2.894 . 0 0 "[ . 1 .]" 1
1378 1 89 LYS H 1 89 LYS HD3 . . 5.500 5.306 5.117 5.442 . 0 0 "[ . 1 .]" 1
1379 1 89 LYS HA 1 89 LYS QG . . 3.710 2.529 2.459 2.609 . 0 0 "[ . 1 .]" 1
1380 1 89 LYS HA 1 90 LYS H . . 3.270 2.182 2.144 2.214 . 0 0 "[ . 1 .]" 1
1381 1 89 LYS QE 1 89 LYS QG . . 3.220 2.154 2.071 2.340 . 0 0 "[ . 1 .]" 1
1382 1 89 LYS QG 1 90 LYS H . . 3.870 3.047 2.942 3.160 . 0 0 "[ . 1 .]" 1
1383 1 89 LYS HG2 1 90 LYS H . . 4.430 3.356 3.217 3.491 . 0 0 "[ . 1 .]" 1
1384 1 89 LYS HG3 1 90 LYS H . . 4.430 3.499 3.407 3.610 . 0 0 "[ . 1 .]" 1
1385 1 90 LYS H 1 90 LYS HB2 . . 3.670 2.448 2.359 2.623 . 0 0 "[ . 1 .]" 1
1386 1 90 LYS H 1 90 LYS QB . . 3.210 2.231 2.183 2.269 . 0 0 "[ . 1 .]" 1
1387 1 90 LYS H 1 90 LYS HB3 . . 3.670 2.581 2.484 2.656 . 0 0 "[ . 1 .]" 1
1388 1 90 LYS H 1 90 LYS QG . . 4.990 4.003 3.970 4.031 . 0 0 "[ . 1 .]" 1
1389 1 90 LYS HA 1 90 LYS HG2 . . 3.930 3.010 2.917 3.211 . 0 0 "[ . 1 .]" 1
1390 1 90 LYS HA 1 90 LYS QG . . 3.240 2.367 2.331 2.428 . 0 0 "[ . 1 .]" 1
1391 1 90 LYS HA 1 90 LYS HG3 . . 3.930 2.477 2.437 2.549 . 0 0 "[ . 1 .]" 1
1392 1 90 LYS HA 1 91 THR H . . 3.300 2.235 2.195 2.286 . 0 0 "[ . 1 .]" 1
1393 1 90 LYS QB 1 90 LYS QD . . 3.150 2.090 2.056 2.113 . 0 0 "[ . 1 .]" 1
1394 1 90 LYS QE 1 93 GLU QB . . 3.590 2.043 1.878 2.177 . 0 0 "[ . 1 .]" 1
1395 1 90 LYS QG 1 91 THR H . . 3.940 2.643 2.447 2.732 . 0 0 "[ . 1 .]" 1
1396 1 90 LYS QG 1 92 GLU H . . 3.670 2.808 2.720 2.958 . 0 0 "[ . 1 .]" 1
1397 1 90 LYS HG2 1 92 GLU H . . 4.200 2.906 2.788 3.095 . 0 0 "[ . 1 .]" 1
1398 1 90 LYS HG3 1 92 GLU H . . 4.200 3.766 3.356 4.044 . 0 0 "[ . 1 .]" 1
1399 1 91 THR H 1 91 THR MG . . 3.950 2.892 2.377 3.053 . 0 0 "[ . 1 .]" 1
1400 1 91 THR H 1 92 GLU H . . 3.300 2.137 2.049 2.202 . 0 0 "[ . 1 .]" 1
1401 1 91 THR HA 1 91 THR MG . . 3.240 2.446 2.300 3.246 0.006 2 0 "[ . 1 .]" 1
1402 1 91 THR HB 1 92 GLU H . . 4.730 4.133 3.901 4.417 . 0 0 "[ . 1 .]" 1
1403 1 92 GLU H 1 92 GLU HB2 . . 3.920 3.085 2.978 3.270 . 0 0 "[ . 1 .]" 1
1404 1 92 GLU H 1 93 GLU H . . 4.610 4.359 4.324 4.399 . 0 0 "[ . 1 .]" 1
1405 1 92 GLU HA 1 92 GLU HG2 . . 4.040 2.813 2.473 3.686 . 0 0 "[ . 1 .]" 1
1406 1 92 GLU HA 1 92 GLU QG . . 3.450 2.370 2.200 2.724 . 0 0 "[ . 1 .]" 1
1407 1 92 GLU HA 1 92 GLU HG3 . . 4.040 2.746 2.346 3.619 . 0 0 "[ . 1 .]" 1
1408 1 92 GLU HA 1 93 GLU H . . 3.040 2.285 2.228 2.325 . 0 0 "[ . 1 .]" 1
1409 1 92 GLU HB2 1 93 GLU H . . 4.300 4.167 3.611 4.305 0.005 12 0 "[ . 1 .]" 1
1410 1 92 GLU HB3 1 93 GLU H . . 3.460 3.232 2.305 3.472 0.012 15 0 "[ . 1 .]" 1
1411 1 92 GLU QG 1 93 GLU H . . 3.730 2.749 2.120 3.652 . 0 0 "[ . 1 .]" 1
1412 1 92 GLU HG2 1 93 GLU H . . 4.530 3.179 2.460 3.915 . 0 0 "[ . 1 .]" 1
1413 1 92 GLU HG3 1 93 GLU H . . 4.530 3.537 2.130 4.643 0.113 5 0 "[ . 1 .]" 1
1414 1 93 GLU H 1 93 GLU QB . . 3.650 3.230 3.178 3.332 . 0 0 "[ . 1 .]" 1
1415 1 93 GLU H 1 93 GLU HG2 . . 4.260 2.753 2.658 2.845 . 0 0 "[ . 1 .]" 1
1416 1 93 GLU H 1 93 GLU QG . . 3.530 2.677 2.592 2.773 . 0 0 "[ . 1 .]" 1
1417 1 93 GLU H 1 93 GLU HG3 . . 4.260 3.670 3.508 3.832 . 0 0 "[ . 1 .]" 1
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