NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
634517 |
6gvu   |
34291 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6gvu
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 1595
_Distance_constraint_stats_list.Viol_count 2904
_Distance_constraint_stats_list.Viol_total 3594.237
_Distance_constraint_stats_list.Viol_max 0.820
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0619
_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 1 DC 4.273 0.217 19 0 "[ . 1 . 2]"
1 2 DT 4.102 0.217 19 0 "[ . 1 . 2]"
1 3 DG 7.378 0.225 12 0 "[ . 1 . 2]"
1 4 DT 19.996 0.820 6 2 "[- .+ 1 . 2]"
1 5 DG 10.844 0.148 14 0 "[ . 1 . 2]"
1 6 DC 11.403 0.205 9 0 "[ . 1 . 2]"
1 7 DT 23.196 0.667 9 20 [********+*-*********]
1 8 DC 10.878 0.251 15 0 "[ . 1 . 2]"
1 9 DA 5.155 0.251 15 0 "[ . 1 . 2]"
2 2 VAL 1.122 0.122 5 0 "[ . 1 . 2]"
2 3 VAL 0.242 0.186 15 0 "[ . 1 . 2]"
2 4 GLU 0.347 0.186 15 0 "[ . 1 . 2]"
2 5 PHE 0.834 0.095 4 0 "[ . 1 . 2]"
2 6 GLU 2.927 0.122 5 0 "[ . 1 . 2]"
2 7 GLU 1.743 0.113 10 0 "[ . 1 . 2]"
2 8 LEU 2.190 0.195 6 0 "[ . 1 . 2]"
2 9 ARG 1.530 0.195 6 0 "[ . 1 . 2]"
2 10 LYS 2.432 0.103 7 0 "[ . 1 . 2]"
2 11 GLU 5.326 0.166 7 0 "[ . 1 . 2]"
2 12 LEU 0.132 0.042 4 0 "[ . 1 . 2]"
2 13 VAL 1.333 0.103 7 0 "[ . 1 . 2]"
2 14 LYS 0.797 0.271 7 0 "[ . 1 . 2]"
2 15 ARG 5.889 0.160 1 0 "[ . 1 . 2]"
2 16 ASP 1.522 0.111 6 0 "[ . 1 . 2]"
2 17 SER 0.258 0.065 13 0 "[ . 1 . 2]"
2 18 GLY 1.557 0.158 7 0 "[ . 1 . 2]"
2 19 LYS 1.990 0.162 11 0 "[ . 1 . 2]"
2 21 VAL 5.328 0.239 7 0 "[ . 1 . 2]"
2 22 GLU 0.986 0.175 4 0 "[ . 1 . 2]"
2 23 LYS 1.099 0.159 18 0 "[ . 1 . 2]"
2 24 ILE 2.157 0.182 6 0 "[ . 1 . 2]"
2 25 LYS 5.194 0.171 14 0 "[ . 1 . 2]"
2 26 GLU 1.174 0.171 14 0 "[ . 1 . 2]"
2 27 GLU 1.637 0.067 5 0 "[ . 1 . 2]"
2 28 ILE 1.906 0.130 15 0 "[ . 1 . 2]"
2 29 CYS 1.155 0.078 3 0 "[ . 1 . 2]"
2 30 THR 0.997 0.078 3 0 "[ . 1 . 2]"
2 31 LYS 0.390 0.054 1 0 "[ . 1 . 2]"
2 37 ILE 2.176 0.203 18 0 "[ . 1 . 2]"
2 39 GLU 0.401 0.110 18 0 "[ . 1 . 2]"
2 40 ILE 5.612 0.152 3 0 "[ . 1 . 2]"
2 41 ILE 3.916 0.232 7 0 "[ . 1 . 2]"
2 42 CYS 1.359 0.232 7 0 "[ . 1 . 2]"
2 43 GLU 2.897 0.148 6 0 "[ . 1 . 2]"
2 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 LYS 1.310 0.111 17 0 "[ . 1 . 2]"
2 46 THR 6.414 0.215 6 0 "[ . 1 . 2]"
2 47 TYR 6.842 0.215 6 0 "[ . 1 . 2]"
2 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 ASP 1.643 0.104 2 0 "[ . 1 . 2]"
2 50 VAL 3.958 0.104 2 0 "[ . 1 . 2]"
2 51 ASN 1.891 0.128 17 0 "[ . 1 . 2]"
2 52 ILE 1.045 0.077 17 0 "[ . 1 . 2]"
2 53 ASP 1.579 0.166 6 0 "[ . 1 . 2]"
2 54 ARG 0.859 0.250 17 0 "[ . 1 . 2]"
2 55 SER 3.566 0.820 6 2 "[- .+ 1 . 2]"
2 56 ARG 4.002 0.171 1 0 "[ . 1 . 2]"
2 57 GLY 0.062 0.030 4 0 "[ . 1 . 2]"
2 58 ASP 2.551 0.094 16 0 "[ . 1 . 2]"
2 59 TRP 7.580 0.166 12 0 "[ . 1 . 2]"
2 60 HIS 4.522 0.171 1 0 "[ . 1 . 2]"
2 61 VAL 1.610 0.094 16 0 "[ . 1 . 2]"
2 62 ILE 1.677 0.074 19 0 "[ . 1 . 2]"
2 63 LEU 1.167 0.081 8 0 "[ . 1 . 2]"
2 64 TYR 1.145 0.127 11 0 "[ . 1 . 2]"
2 65 LEU 3.780 0.145 10 0 "[ . 1 . 2]"
2 67 LYS 1.526 0.262 5 0 "[ . 1 . 2]"
2 68 HIS 1.608 0.382 19 0 "[ . 1 . 2]"
2 69 GLY 0.212 0.088 2 0 "[ . 1 . 2]"
2 70 VAL 3.272 0.160 1 0 "[ . 1 . 2]"
2 71 THR 2.093 0.120 10 0 "[ . 1 . 2]"
2 72 ASP 0.691 0.105 5 0 "[ . 1 . 2]"
2 74 ASP 0.378 0.123 7 0 "[ . 1 . 2]"
2 75 LYS 4.455 0.273 2 0 "[ . 1 . 2]"
2 76 ILE 3.135 0.167 1 0 "[ . 1 . 2]"
2 77 LEU 3.627 0.165 11 0 "[ . 1 . 2]"
2 78 GLU 1.751 0.218 7 0 "[ . 1 . 2]"
2 79 LEU 0.403 0.067 7 0 "[ . 1 . 2]"
2 80 LEU 0.367 0.073 6 0 "[ . 1 . 2]"
2 82 ARG 2.070 0.160 6 0 "[ . 1 . 2]"
2 83 ASP 1.338 0.145 5 0 "[ . 1 . 2]"
2 84 SER 0.105 0.105 2 0 "[ . 1 . 2]"
2 85 LYS 3.644 0.243 12 0 "[ . 1 . 2]"
2 86 ALA 8.220 0.230 3 0 "[ . 1 . 2]"
2 87 LYS 2.113 0.165 11 0 "[ . 1 . 2]"
2 88 GLU 0.865 0.178 11 0 "[ . 1 . 2]"
2 89 ASN 0.857 0.178 11 0 "[ . 1 . 2]"
2 91 LYS 1.188 0.171 6 0 "[ . 1 . 2]"
2 92 TRP 1.180 0.171 6 0 "[ . 1 . 2]"
2 94 THR 1.697 0.159 12 0 "[ . 1 . 2]"
2 95 GLN 0.049 0.032 19 0 "[ . 1 . 2]"
2 96 LYS 0.672 0.141 1 0 "[ . 1 . 2]"
2 97 TYR 3.190 0.197 9 0 "[ . 1 . 2]"
2 98 PHE 3.401 0.163 14 0 "[ . 1 . 2]"
2 99 VAL 0.708 0.095 4 0 "[ . 1 . 2]"
2 100 ILE 3.582 0.118 13 0 "[ . 1 . 2]"
2 101 THR 1.192 0.121 9 0 "[ . 1 . 2]"
2 102 LEU 1.202 0.121 9 0 "[ . 1 . 2]"
2 103 SER 1.441 0.111 17 0 "[ . 1 . 2]"
2 104 LYS 3.317 0.128 4 0 "[ . 1 . 2]"
2 105 ALA 2.668 0.120 10 0 "[ . 1 . 2]"
2 106 TRP 9.645 0.149 2 0 "[ . 1 . 2]"
2 107 SER 0.690 0.079 20 0 "[ . 1 . 2]"
2 108 VAL 1.321 0.106 19 0 "[ . 1 . 2]"
2 109 VAL 1.005 0.120 15 0 "[ . 1 . 2]"
2 110 LYS 4.011 0.149 2 0 "[ . 1 . 2]"
2 111 LYS 3.055 0.126 14 0 "[ . 1 . 2]"
2 112 TYR 3.966 0.118 1 0 "[ . 1 . 2]"
2 113 LEU 0.616 0.206 5 0 "[ . 1 . 2]"
2 114 GLU 1.606 0.119 20 0 "[ . 1 . 2]"
2 115 ALA 1.531 0.119 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 114 GLU H 2 115 ALA H . . 3.960 4.032 3.961 4.079 0.119 20 0 "[ . 1 . 2]" 1
2 2 115 ALA H 2 115 ALA MB . . 3.640 2.654 2.222 2.715 . 0 0 "[ . 1 . 2]" 1
3 2 106 TRP QB 2 106 TRP HE1 . . 4.740 4.388 4.378 4.397 . 0 0 "[ . 1 . 2]" 1
4 2 11 GLU HB3 2 106 TRP HE1 . . 4.680 3.395 3.177 3.525 . 0 0 "[ . 1 . 2]" 1
5 2 106 TRP HE1 2 110 LYS QD . . 3.630 2.359 2.200 2.540 . 0 0 "[ . 1 . 2]" 1
6 2 106 TRP HE1 2 110 LYS HB2 . . 4.420 3.601 3.459 3.766 . 0 0 "[ . 1 . 2]" 1
7 2 12 LEU QD 2 106 TRP HE1 . . 4.850 4.090 3.382 4.632 . 0 0 "[ . 1 . 2]" 1
8 2 53 ASP H 2 53 ASP HB2 . . 3.620 2.554 2.394 2.674 . 0 0 "[ . 1 . 2]" 1
9 2 53 ASP H 2 53 ASP HB3 . . 3.620 3.220 2.276 3.599 . 0 0 "[ . 1 . 2]" 1
10 2 52 ILE HG12 2 53 ASP H . . 3.600 2.392 2.216 2.524 . 0 0 "[ . 1 . 2]" 1
11 2 52 ILE HG13 2 53 ASP H . . 3.600 2.438 2.302 2.565 . 0 0 "[ . 1 . 2]" 1
12 2 52 ILE MD 2 53 ASP H . . 4.000 3.860 3.782 3.969 . 0 0 "[ . 1 . 2]" 1
13 2 56 ARG H 2 58 ASP H . . 5.080 4.230 4.132 4.334 . 0 0 "[ . 1 . 2]" 1
14 2 55 SER HB2 2 56 ARG H . . 4.650 3.449 2.462 3.969 . 0 0 "[ . 1 . 2]" 1
15 2 56 ARG H 2 56 ARG QB . . 3.020 2.179 2.046 2.366 . 0 0 "[ . 1 . 2]" 1
16 2 54 ARG H 2 57 GLY H . . 5.090 4.598 4.509 4.722 . 0 0 "[ . 1 . 2]" 1
17 2 53 ASP HA 2 54 ARG H . . 3.040 2.240 2.178 2.293 . 0 0 "[ . 1 . 2]" 1
18 2 67 LYS HA 2 70 VAL H . . 5.040 4.961 4.800 5.095 0.055 15 0 "[ . 1 . 2]" 1
19 2 70 VAL H 2 70 VAL HB . . 3.550 3.400 2.797 3.561 0.011 20 0 "[ . 1 . 2]" 1
20 2 105 ALA H 2 107 SER H . . 5.060 3.962 3.914 4.002 . 0 0 "[ . 1 . 2]" 1
21 2 59 TRP HZ3 2 105 ALA H . . 3.990 2.572 2.455 2.710 . 0 0 "[ . 1 . 2]" 1
22 2 59 TRP HH2 2 105 ALA H . . 4.490 3.429 3.273 3.547 . 0 0 "[ . 1 . 2]" 1
23 2 102 LEU HA 2 105 ALA H . . 4.500 3.810 3.444 3.984 . 0 0 "[ . 1 . 2]" 1
24 2 104 LYS HB3 2 105 ALA H . . 3.730 3.753 3.562 3.842 0.112 9 0 "[ . 1 . 2]" 1
25 2 104 LYS QD 2 105 ALA H . . 4.930 4.695 4.330 4.874 . 0 0 "[ . 1 . 2]" 1
26 2 97 TYR QD 2 98 PHE H . . 4.220 3.680 3.443 3.830 . 0 0 "[ . 1 . 2]" 1
27 2 95 GLN HA 2 98 PHE H . . 4.140 3.254 3.044 3.443 . 0 0 "[ . 1 . 2]" 1
28 2 104 LYS H 2 105 ALA H . . 3.420 2.530 2.497 2.550 . 0 0 "[ . 1 . 2]" 1
29 2 59 TRP HH2 2 104 LYS H . . 4.950 4.623 4.491 4.747 . 0 0 "[ . 1 . 2]" 1
30 2 97 TYR HB3 2 98 PHE H . . 3.450 2.978 2.836 3.130 . 0 0 "[ . 1 . 2]" 1
31 2 98 PHE H 2 98 PHE HB2 . . 4.000 2.555 2.376 2.648 . 0 0 "[ . 1 . 2]" 1
32 2 86 ALA MB 2 98 PHE H . . 4.660 4.248 3.946 4.662 0.002 14 0 "[ . 1 . 2]" 1
33 2 98 PHE H 2 99 VAL QG . . 4.930 4.106 3.988 4.214 . 0 0 "[ . 1 . 2]" 1
34 2 103 SER H 2 104 LYS H . . 3.530 2.605 2.574 2.654 . 0 0 "[ . 1 . 2]" 1
35 2 100 ILE HA 2 104 LYS H . . 4.810 3.868 3.714 3.960 . 0 0 "[ . 1 . 2]" 1
36 2 102 LEU HA 2 104 LYS H . . 5.480 4.689 4.587 4.791 . 0 0 "[ . 1 . 2]" 1
37 2 104 LYS H 2 104 LYS HB2 . . 3.210 2.350 2.178 2.427 . 0 0 "[ . 1 . 2]" 1
38 2 104 LYS H 2 104 LYS QD . . 3.710 3.146 2.346 3.564 . 0 0 "[ . 1 . 2]" 1
39 2 104 LYS H 2 104 LYS QG . . 4.110 2.705 2.275 3.607 . 0 0 "[ . 1 . 2]" 1
40 2 104 LYS H 2 105 ALA MB . . 4.300 4.239 4.206 4.276 . 0 0 "[ . 1 . 2]" 1
41 2 47 TYR H 2 47 TYR HD1 . . 4.490 4.032 3.921 4.218 . 0 0 "[ . 1 . 2]" 1
42 2 47 TYR H 2 47 TYR HE2 . . 4.770 3.986 3.734 4.180 . 0 0 "[ . 1 . 2]" 1
43 2 46 THR HB 2 47 TYR H . . 3.300 2.362 1.961 2.610 . 0 0 "[ . 1 . 2]" 1
44 2 46 THR HA 2 47 TYR H . . 3.550 2.673 2.611 2.715 . 0 0 "[ . 1 . 2]" 1
45 2 47 TYR H 2 47 TYR HB3 . . 4.010 3.527 3.467 3.548 . 0 0 "[ . 1 . 2]" 1
46 2 29 CYS H 2 31 LYS H . . 4.580 4.149 4.078 4.222 . 0 0 "[ . 1 . 2]" 1
47 2 30 THR HB 2 31 LYS H . . 4.260 4.264 4.203 4.314 0.054 1 0 "[ . 1 . 2]" 1
48 2 29 CYS HA 2 31 LYS H . . 4.690 3.750 3.614 4.146 . 0 0 "[ . 1 . 2]" 1
49 2 28 ILE HA 2 31 LYS H . . 3.960 3.679 3.268 3.935 . 0 0 "[ . 1 . 2]" 1
50 2 31 LYS H 2 31 LYS HB3 . . 3.700 3.638 3.604 3.705 0.005 1 0 "[ . 1 . 2]" 1
51 2 31 LYS H 2 31 LYS HG2 . . 3.940 3.073 2.153 3.853 . 0 0 "[ . 1 . 2]" 1
52 2 31 LYS H 2 31 LYS HG3 . . 3.940 3.064 2.148 3.988 0.048 1 0 "[ . 1 . 2]" 1
53 2 47 TYR H 2 48 ALA H . . 3.490 2.678 2.600 2.729 . 0 0 "[ . 1 . 2]" 1
54 2 46 THR HB 2 48 ALA H . . 3.590 2.540 2.318 2.780 . 0 0 "[ . 1 . 2]" 1
55 2 47 TYR HB3 2 48 ALA H . . 4.380 4.133 3.928 4.206 . 0 0 "[ . 1 . 2]" 1
56 2 46 THR MG 2 48 ALA H . . 4.430 3.793 3.378 4.325 . 0 0 "[ . 1 . 2]" 1
57 2 46 THR HA 2 48 ALA H . . 4.680 4.343 4.220 4.633 . 0 0 "[ . 1 . 2]" 1
58 2 48 ALA H 2 48 ALA MB . . 2.960 2.206 2.195 2.227 . 0 0 "[ . 1 . 2]" 1
59 2 31 LYS H 2 31 LYS HB2 . . 3.700 2.466 2.350 2.537 . 0 0 "[ . 1 . 2]" 1
60 2 28 ILE MG 2 31 LYS H . . 5.100 4.350 3.987 4.605 . 0 0 "[ . 1 . 2]" 1
61 2 21 VAL H 2 75 LYS HA . . 4.830 4.532 3.324 5.069 0.239 7 0 "[ . 1 . 2]" 1
62 2 21 VAL H 2 21 VAL MG2 . . 3.770 2.682 1.713 3.727 . 0 0 "[ . 1 . 2]" 1
63 2 3 VAL H 2 4 GLU H . . 4.630 2.606 2.526 2.673 . 0 0 "[ . 1 . 2]" 1
64 2 4 GLU H 2 4 GLU QG . . 3.930 3.034 1.875 3.988 0.058 15 0 "[ . 1 . 2]" 1
65 2 4 GLU H 2 4 GLU QB . . 3.450 2.381 2.214 2.678 . 0 0 "[ . 1 . 2]" 1
66 2 3 VAL QG 2 4 GLU H . . 4.130 2.785 2.260 3.402 . 0 0 "[ . 1 . 2]" 1
67 2 5 PHE HA 2 8 LEU H . . 4.290 3.322 3.160 3.513 . 0 0 "[ . 1 . 2]" 1
68 2 7 GLU QB 2 8 LEU H . . 3.430 2.704 2.594 2.862 . 0 0 "[ . 1 . 2]" 1
69 2 8 LEU H 2 8 LEU HB2 . . 3.580 2.331 2.119 3.607 0.027 6 0 "[ . 1 . 2]" 1
70 2 8 LEU H 2 8 LEU HB3 . . 3.580 3.447 2.447 3.588 0.008 8 0 "[ . 1 . 2]" 1
71 2 8 LEU H 2 8 LEU HG . . 5.070 2.995 2.342 4.159 . 0 0 "[ . 1 . 2]" 1
72 2 8 LEU H 2 8 LEU QD . . 4.350 2.978 2.404 3.722 . 0 0 "[ . 1 . 2]" 1
73 2 5 PHE H 2 5 PHE QB . . 3.880 2.213 2.154 2.295 . 0 0 "[ . 1 . 2]" 1
74 2 4 GLU QB 2 5 PHE H . . 4.420 2.866 2.707 3.689 . 0 0 "[ . 1 . 2]" 1
75 2 24 ILE H 2 25 LYS H . . 3.540 2.564 2.487 2.640 . 0 0 "[ . 1 . 2]" 1
76 2 24 ILE H 2 26 GLU H . . 4.940 4.147 3.935 4.347 . 0 0 "[ . 1 . 2]" 1
77 2 21 VAL HA 2 24 ILE H . . 3.590 3.005 2.797 3.170 . 0 0 "[ . 1 . 2]" 1
78 2 24 ILE H 2 24 ILE HB . . 3.540 2.359 2.203 2.433 . 0 0 "[ . 1 . 2]" 1
79 2 24 ILE H 2 24 ILE HG12 . . 4.100 3.528 3.317 3.928 . 0 0 "[ . 1 . 2]" 1
80 2 24 ILE H 2 24 ILE HG13 . . 4.100 2.369 2.078 3.933 . 0 0 "[ . 1 . 2]" 1
81 2 2 VAL H 2 3 VAL H . . 4.390 2.654 2.554 2.768 . 0 0 "[ . 1 . 2]" 1
82 2 3 VAL H 2 3 VAL HB . . 3.690 2.699 2.405 3.627 . 0 0 "[ . 1 . 2]" 1
83 2 2 VAL QG 2 3 VAL H . . 3.720 3.111 2.349 3.458 . 0 0 "[ . 1 . 2]" 1
84 2 3 VAL H 2 3 VAL QG . . 3.830 2.041 1.773 2.205 . 0 0 "[ . 1 . 2]" 1
85 2 6 GLU H 2 8 LEU H . . 5.250 4.049 3.798 4.220 . 0 0 "[ . 1 . 2]" 1
86 2 22 GLU HA 2 24 ILE H . . 4.920 4.364 4.092 4.541 . 0 0 "[ . 1 . 2]" 1
87 2 94 THR H 2 95 GLN H . . 4.330 2.543 2.447 2.711 . 0 0 "[ . 1 . 2]" 1
88 2 16 ASP H 2 17 SER H . . 4.750 4.634 4.580 4.657 . 0 0 "[ . 1 . 2]" 1
89 2 16 ASP H 2 71 THR H . . 5.010 4.472 4.362 4.628 . 0 0 "[ . 1 . 2]" 1
90 2 15 ARG H 2 16 ASP H . . 3.190 2.601 2.562 2.647 . 0 0 "[ . 1 . 2]" 1
91 2 14 LYS HA 2 16 ASP H . . 5.140 3.571 3.380 3.841 . 0 0 "[ . 1 . 2]" 1
92 2 13 VAL HA 2 16 ASP H . . 3.950 3.719 3.382 3.968 0.018 5 0 "[ . 1 . 2]" 1
93 2 16 ASP H 2 16 ASP HB2 . . 2.930 2.654 2.587 2.705 . 0 0 "[ . 1 . 2]" 1
94 2 15 ARG HB2 2 16 ASP H . . 4.420 3.638 3.545 3.759 . 0 0 "[ . 1 . 2]" 1
95 2 14 LYS QB 2 16 ASP H . . 4.780 4.552 4.475 4.643 . 0 0 "[ . 1 . 2]" 1
96 2 15 ARG QG 2 16 ASP H . . 4.750 4.574 4.405 4.742 . 0 0 "[ . 1 . 2]" 1
97 2 15 ARG HB3 2 16 ASP H . . 4.420 4.156 3.854 4.323 . 0 0 "[ . 1 . 2]" 1
98 2 2 VAL H 2 2 VAL HB . . 4.140 2.499 2.360 2.585 . 0 0 "[ . 1 . 2]" 1
99 2 2 VAL H 2 2 VAL QG . . 3.850 2.019 1.862 2.236 . 0 0 "[ . 1 . 2]" 1
100 2 98 PHE H 2 100 ILE H . . 4.360 3.987 3.896 4.071 . 0 0 "[ . 1 . 2]" 1
101 2 100 ILE H 2 102 LEU H . . 4.800 4.110 4.012 4.200 . 0 0 "[ . 1 . 2]" 1
102 2 98 PHE HA 2 100 ILE H . . 4.600 4.233 4.198 4.299 . 0 0 "[ . 1 . 2]" 1
103 2 100 ILE H 2 103 SER QB . . 5.180 4.739 4.634 4.848 . 0 0 "[ . 1 . 2]" 1
104 2 100 ILE H 2 100 ILE HB . . 3.040 2.274 2.227 2.326 . 0 0 "[ . 1 . 2]" 1
105 2 99 VAL QG 2 100 ILE H . . 3.670 3.096 2.453 3.405 . 0 0 "[ . 1 . 2]" 1
106 2 19 LYS H 2 19 LYS QE . . 4.680 3.918 3.258 4.702 0.022 19 0 "[ . 1 . 2]" 1
107 2 19 LYS H 2 19 LYS QB . . 3.010 2.508 2.360 3.089 0.079 13 0 "[ . 1 . 2]" 1
108 2 19 LYS H 2 24 ILE MD . . 4.630 3.988 3.455 4.606 . 0 0 "[ . 1 . 2]" 1
109 2 71 THR H 2 72 ASP H . . 4.460 4.381 4.216 4.421 . 0 0 "[ . 1 . 2]" 1
110 2 16 ASP HA 2 72 ASP H . . 5.500 5.242 5.116 5.431 . 0 0 "[ . 1 . 2]" 1
111 2 63 LEU H 2 65 LEU H . . 5.010 4.200 4.100 4.279 . 0 0 "[ . 1 . 2]" 1
112 2 65 LEU H 2 67 LYS H . . 5.250 3.933 3.828 3.998 . 0 0 "[ . 1 . 2]" 1
113 2 64 TYR H 2 65 LEU H . . 3.640 2.551 2.451 2.672 . 0 0 "[ . 1 . 2]" 1
114 2 64 TYR QD 2 65 LEU H . . 4.300 3.717 3.224 4.126 . 0 0 "[ . 1 . 2]" 1
115 2 61 VAL HA 2 65 LEU H . . 5.340 3.888 3.652 4.163 . 0 0 "[ . 1 . 2]" 1
116 2 63 LEU HA 2 65 LEU H . . 5.500 4.614 4.474 4.759 . 0 0 "[ . 1 . 2]" 1
117 2 62 ILE HA 2 65 LEU H . . 4.360 3.546 3.327 3.782 . 0 0 "[ . 1 . 2]" 1
118 2 65 LEU H 2 65 LEU HB2 . . 3.130 2.309 2.262 2.351 . 0 0 "[ . 1 . 2]" 1
119 2 65 LEU H 2 65 LEU HB3 . . 3.770 3.556 3.526 3.570 . 0 0 "[ . 1 . 2]" 1
120 2 65 LEU H 2 65 LEU MD2 . . 3.720 3.730 3.617 3.788 0.068 7 0 "[ . 1 . 2]" 1
121 2 37 ILE MD 2 65 LEU H . . 5.140 4.504 3.773 5.033 . 0 0 "[ . 1 . 2]" 1
122 2 37 ILE H 2 37 ILE HB . . 3.410 2.386 2.166 2.490 . 0 0 "[ . 1 . 2]" 1
123 2 37 ILE H 2 37 ILE HG12 . . 4.910 2.334 2.091 3.981 . 0 0 "[ . 1 . 2]" 1
124 2 37 ILE H 2 37 ILE HG13 . . 4.910 3.660 3.550 4.083 . 0 0 "[ . 1 . 2]" 1
125 2 75 LYS H 2 76 ILE H . . 3.340 2.525 2.409 2.683 . 0 0 "[ . 1 . 2]" 1
126 2 74 ASP QB 2 75 LYS H . . 3.760 2.942 2.603 3.121 . 0 0 "[ . 1 . 2]" 1
127 2 75 LYS H 2 75 LYS HG2 . . 4.000 2.686 1.795 3.921 . 0 0 "[ . 1 . 2]" 1
128 2 75 LYS H 2 75 LYS HG3 . . 4.000 3.008 2.245 3.601 . 0 0 "[ . 1 . 2]" 1
129 2 106 TRP HA 2 108 VAL H . . 5.090 4.093 3.999 4.178 . 0 0 "[ . 1 . 2]" 1
130 2 107 SER HB3 2 108 VAL H . . 4.160 2.824 2.643 3.786 . 0 0 "[ . 1 . 2]" 1
131 2 105 ALA HA 2 108 VAL H . . 4.070 3.512 3.429 3.600 . 0 0 "[ . 1 . 2]" 1
132 2 108 VAL H 2 108 VAL HB . . 3.150 2.383 2.336 2.433 . 0 0 "[ . 1 . 2]" 1
133 2 108 VAL H 2 109 VAL HB . . 4.870 4.553 4.492 4.599 . 0 0 "[ . 1 . 2]" 1
134 2 108 VAL H 2 108 VAL MG1 . . 3.810 3.738 3.720 3.753 . 0 0 "[ . 1 . 2]" 1
135 2 108 VAL H 2 108 VAL MG2 . . 3.810 2.249 2.165 2.310 . 0 0 "[ . 1 . 2]" 1
136 2 96 LYS H 2 97 TYR HB3 . . 4.920 4.632 4.540 4.741 . 0 0 "[ . 1 . 2]" 1
137 2 106 TRP H 2 108 VAL H . . 5.060 4.197 4.134 4.256 . 0 0 "[ . 1 . 2]" 1
138 2 60 HIS H 2 61 VAL H . . 3.680 2.674 2.623 2.730 . 0 0 "[ . 1 . 2]" 1
139 2 58 ASP HA 2 61 VAL H . . 4.440 3.738 3.650 3.819 . 0 0 "[ . 1 . 2]" 1
140 2 60 HIS QB 2 61 VAL H . . 3.690 2.709 2.641 2.785 . 0 0 "[ . 1 . 2]" 1
141 2 61 VAL H 2 61 VAL HB . . 3.660 3.655 3.641 3.665 0.005 6 0 "[ . 1 . 2]" 1
142 2 61 VAL H 2 62 ILE HB . . 5.070 4.548 4.495 4.594 . 0 0 "[ . 1 . 2]" 1
143 2 61 VAL H 2 61 VAL MG2 . . 3.160 2.115 2.055 2.170 . 0 0 "[ . 1 . 2]" 1
144 2 61 VAL H 2 61 VAL MG1 . . 3.540 2.122 2.072 2.174 . 0 0 "[ . 1 . 2]" 1
145 2 37 ILE MD 2 61 VAL H . . 5.040 3.947 3.555 4.421 . 0 0 "[ . 1 . 2]" 1
146 2 95 GLN H 2 96 LYS H . . 4.490 2.461 2.397 2.534 . 0 0 "[ . 1 . 2]" 1
147 2 96 LYS H 2 97 TYR H . . 4.900 2.609 2.515 2.708 . 0 0 "[ . 1 . 2]" 1
148 2 96 LYS H 2 96 LYS QG . . 4.690 2.997 2.138 4.025 . 0 0 "[ . 1 . 2]" 1
149 2 110 LYS H 2 112 TYR H . . 4.780 4.018 3.949 4.114 . 0 0 "[ . 1 . 2]" 1
150 2 110 LYS H 2 113 LEU H . . 5.500 4.706 4.605 4.782 . 0 0 "[ . 1 . 2]" 1
151 2 106 TRP HA 2 110 LYS H . . 4.610 3.477 3.398 3.685 . 0 0 "[ . 1 . 2]" 1
152 2 107 SER HA 2 110 LYS H . . 4.670 3.767 3.556 3.880 . 0 0 "[ . 1 . 2]" 1
153 2 108 VAL HB 2 110 LYS H . . 5.440 5.069 4.992 5.153 . 0 0 "[ . 1 . 2]" 1
154 2 109 VAL HB 2 110 LYS H . . 3.750 2.770 2.685 2.881 . 0 0 "[ . 1 . 2]" 1
155 2 110 LYS H 2 110 LYS QD . . 4.960 4.383 4.311 4.612 . 0 0 "[ . 1 . 2]" 1
156 2 110 LYS H 2 110 LYS HB2 . . 3.200 2.486 2.434 2.542 . 0 0 "[ . 1 . 2]" 1
157 2 88 GLU H 2 88 GLU HB3 . . 3.860 3.569 3.502 3.605 . 0 0 "[ . 1 . 2]" 1
158 2 88 GLU H 2 89 ASN H . . 5.210 2.640 2.457 2.761 . 0 0 "[ . 1 . 2]" 1
159 2 85 LYS HA 2 88 GLU H . . 4.670 3.445 2.912 4.185 . 0 0 "[ . 1 . 2]" 1
160 2 52 ILE MD 2 58 ASP H . . 5.500 5.461 5.101 5.554 0.054 2 0 "[ . 1 . 2]" 1
161 2 57 GLY H 2 58 ASP H . . 3.670 2.717 2.652 2.797 . 0 0 "[ . 1 . 2]" 1
162 2 58 ASP H 2 58 ASP HB2 . . 3.770 2.423 2.298 2.482 . 0 0 "[ . 1 . 2]" 1
163 2 58 ASP H 2 58 ASP HB3 . . 3.770 3.535 2.586 3.601 . 0 0 "[ . 1 . 2]" 1
164 2 56 ARG QB 2 58 ASP H . . 4.880 4.920 4.855 4.969 0.089 2 0 "[ . 1 . 2]" 1
165 2 58 ASP H 2 61 VAL MG1 . . 5.050 5.079 5.022 5.108 0.058 20 0 "[ . 1 . 2]" 1
166 2 112 TYR HA 2 114 GLU H . . 4.780 3.964 3.622 4.425 . 0 0 "[ . 1 . 2]" 1
167 2 111 LYS HA 2 114 GLU H . . 4.830 3.655 3.304 3.970 . 0 0 "[ . 1 . 2]" 1
168 2 110 LYS HA 2 114 GLU H . . 4.810 4.189 3.674 4.510 . 0 0 "[ . 1 . 2]" 1
169 2 110 LYS HG2 2 114 GLU H . . 4.740 4.629 4.148 4.803 0.063 20 0 "[ . 1 . 2]" 1
170 2 113 LEU H 2 114 GLU H . . 3.560 2.344 2.186 2.458 . 0 0 "[ . 1 . 2]" 1
171 2 114 GLU H 2 114 GLU HB2 . . 4.020 2.616 2.342 3.653 . 0 0 "[ . 1 . 2]" 1
172 2 114 GLU H 2 114 GLU HB3 . . 4.020 3.068 2.417 3.692 . 0 0 "[ . 1 . 2]" 1
173 2 58 ASP H 2 61 VAL MG2 . . 5.030 4.419 4.346 4.514 . 0 0 "[ . 1 . 2]" 1
174 2 62 ILE H 2 65 LEU MD1 . . 4.190 4.187 3.817 4.264 0.074 19 0 "[ . 1 . 2]" 1
175 2 62 ILE H 2 62 ILE HB . . 3.250 2.272 2.233 2.296 . 0 0 "[ . 1 . 2]" 1
176 2 61 VAL MG2 2 62 ILE H . . 4.330 2.330 2.298 2.380 . 0 0 "[ . 1 . 2]" 1
177 2 23 LYS HA 2 27 GLU H . . 5.120 4.453 4.177 4.818 . 0 0 "[ . 1 . 2]" 1
178 2 27 GLU H 2 28 ILE HA . . 5.280 5.170 5.100 5.230 . 0 0 "[ . 1 . 2]" 1
179 2 24 ILE HA 2 27 GLU H . . 3.920 3.312 3.019 3.581 . 0 0 "[ . 1 . 2]" 1
180 2 27 GLU H 2 27 GLU HG2 . . 4.130 2.919 2.268 3.791 . 0 0 "[ . 1 . 2]" 1
181 2 26 GLU HG2 2 27 GLU H . . 5.370 4.454 2.807 5.100 . 0 0 "[ . 1 . 2]" 1
182 2 27 GLU H 2 28 ILE MD . . 5.110 5.037 4.755 5.154 0.044 11 0 "[ . 1 . 2]" 1
183 2 56 ARG HA 2 58 ASP H . . 5.240 4.464 4.304 4.592 . 0 0 "[ . 1 . 2]" 1
184 2 14 LYS H 2 16 ASP H . . 4.960 4.070 3.995 4.166 . 0 0 "[ . 1 . 2]" 1
185 2 8 LEU HA 2 11 GLU H . . 3.760 3.007 2.885 3.270 . 0 0 "[ . 1 . 2]" 1
186 2 14 LYS H 2 14 LYS QB . . 2.960 2.294 2.142 2.370 . 0 0 "[ . 1 . 2]" 1
187 2 13 VAL MG1 2 14 LYS H . . 4.060 2.488 2.412 2.546 . 0 0 "[ . 1 . 2]" 1
188 2 8 LEU H 2 11 GLU H . . 5.120 4.672 4.636 4.762 . 0 0 "[ . 1 . 2]" 1
189 2 12 LEU HA 2 14 LYS H . . 4.500 4.212 4.128 4.299 . 0 0 "[ . 1 . 2]" 1
190 2 11 GLU H 2 11 GLU HB2 . . 3.010 2.512 2.378 2.645 . 0 0 "[ . 1 . 2]" 1
191 2 10 LYS H 2 11 GLU H . . 3.320 2.489 2.450 2.534 . 0 0 "[ . 1 . 2]" 1
192 2 10 LYS HA 2 14 LYS H . . 4.790 4.248 4.089 4.351 . 0 0 "[ . 1 . 2]" 1
193 2 62 ILE H 2 65 LEU H . . 5.070 4.791 4.698 4.877 . 0 0 "[ . 1 . 2]" 1
194 2 62 ILE H 2 63 LEU H . . 3.430 2.639 2.598 2.673 . 0 0 "[ . 1 . 2]" 1
195 2 58 ASP HA 2 62 ILE H . . 4.750 4.110 4.011 4.257 . 0 0 "[ . 1 . 2]" 1
196 2 61 VAL HB 2 62 ILE H . . 4.030 4.026 3.985 4.074 0.044 6 0 "[ . 1 . 2]" 1
197 2 62 ILE H 2 62 ILE MD . . 3.680 3.528 3.429 3.575 . 0 0 "[ . 1 . 2]" 1
198 2 102 LEU H 2 103 SER H . . 3.550 2.592 2.509 2.623 . 0 0 "[ . 1 . 2]" 1
199 2 101 THR H 2 102 LEU H . . 3.720 2.613 2.583 2.654 . 0 0 "[ . 1 . 2]" 1
200 2 101 THR HB 2 102 LEU H . . 3.650 3.698 3.643 3.771 0.121 9 0 "[ . 1 . 2]" 1
201 2 102 LEU H 2 103 SER QB . . 4.340 4.338 4.277 4.361 0.021 8 0 "[ . 1 . 2]" 1
202 2 102 LEU H 2 102 LEU HG . . 3.330 2.372 2.262 2.505 . 0 0 "[ . 1 . 2]" 1
203 2 99 VAL QG 2 102 LEU H . . 4.840 4.346 4.234 4.469 . 0 0 "[ . 1 . 2]" 1
204 2 111 LYS HA 2 113 LEU H . . 5.040 4.235 3.914 4.478 . 0 0 "[ . 1 . 2]" 1
205 2 62 ILE H 2 64 TYR H . . 4.440 4.194 4.118 4.387 . 0 0 "[ . 1 . 2]" 1
206 2 60 HIS QB 2 62 ILE H . . 4.690 4.688 4.619 4.743 0.053 8 0 "[ . 1 . 2]" 1
207 2 110 LYS HA 2 113 LEU H . . 3.990 3.138 3.045 3.285 . 0 0 "[ . 1 . 2]" 1
208 2 112 TYR HB3 2 113 LEU H . . 4.210 3.916 3.708 4.068 . 0 0 "[ . 1 . 2]" 1
209 2 111 LYS H 2 113 LEU H . . 4.610 4.012 3.849 4.131 . 0 0 "[ . 1 . 2]" 1
210 2 78 GLU HA 2 80 LEU H . . 4.910 3.229 3.019 3.793 . 0 0 "[ . 1 . 2]" 1
211 2 63 LEU H 2 64 TYR H . . 3.710 2.700 2.663 2.746 . 0 0 "[ . 1 . 2]" 1
212 2 59 TRP HA 2 63 LEU H . . 3.970 4.007 3.971 4.051 0.081 8 0 "[ . 1 . 2]" 1
213 2 62 ILE HB 2 63 LEU H . . 3.640 2.881 2.836 2.945 . 0 0 "[ . 1 . 2]" 1
214 2 63 LEU H 2 63 LEU HB2 . . 3.930 2.245 2.205 2.274 . 0 0 "[ . 1 . 2]" 1
215 2 63 LEU H 2 63 LEU HB3 . . 3.930 3.537 3.517 3.558 . 0 0 "[ . 1 . 2]" 1
216 2 79 LEU HG 2 80 LEU H . . 5.500 4.357 3.775 5.531 0.031 4 0 "[ . 1 . 2]" 1
217 2 12 LEU HG 2 13 VAL H . . 5.350 4.694 4.498 5.243 . 0 0 "[ . 1 . 2]" 1
218 2 77 LEU MD1 2 86 ALA H . . 5.500 5.411 5.109 5.575 0.075 14 0 "[ . 1 . 2]" 1
219 2 10 LYS HA 2 13 VAL H . . 4.310 3.309 3.123 3.565 . 0 0 "[ . 1 . 2]" 1
220 2 13 VAL H 2 13 VAL MG1 . . 3.090 2.438 2.342 2.537 . 0 0 "[ . 1 . 2]" 1
221 2 109 VAL H 2 110 LYS H . . 3.360 2.597 2.529 2.637 . 0 0 "[ . 1 . 2]" 1
222 2 108 VAL H 2 109 VAL H . . 3.420 2.512 2.476 2.531 . 0 0 "[ . 1 . 2]" 1
223 2 109 VAL H 2 110 LYS HA . . 5.500 5.229 5.152 5.264 . 0 0 "[ . 1 . 2]" 1
224 2 108 VAL HB 2 109 VAL H . . 3.470 2.688 2.606 2.769 . 0 0 "[ . 1 . 2]" 1
225 2 109 VAL H 2 109 VAL HB . . 3.410 2.296 2.263 2.327 . 0 0 "[ . 1 . 2]" 1
226 2 109 VAL H 2 109 VAL MG2 . . 3.160 2.349 2.311 2.406 . 0 0 "[ . 1 . 2]" 1
227 2 21 VAL H 2 23 LYS H . . 4.980 4.419 4.153 4.671 . 0 0 "[ . 1 . 2]" 1
228 2 23 LYS H 2 26 GLU H . . 5.500 4.998 4.841 5.222 . 0 0 "[ . 1 . 2]" 1
229 2 21 VAL HA 2 23 LYS H . . 4.550 3.852 3.616 4.114 . 0 0 "[ . 1 . 2]" 1
230 2 23 LYS H 2 23 LYS HG3 . . 4.490 3.540 2.199 4.211 . 0 0 "[ . 1 . 2]" 1
231 2 23 LYS H 2 24 ILE H . . 3.100 2.317 2.265 2.406 . 0 0 "[ . 1 . 2]" 1
232 2 23 LYS H 2 23 LYS HB2 . . 3.690 2.461 2.153 2.548 . 0 0 "[ . 1 . 2]" 1
233 2 23 LYS H 2 24 ILE MD . . 4.900 4.676 3.184 4.930 0.030 3 0 "[ . 1 . 2]" 1
234 2 6 GLU H 2 9 ARG H . . 4.980 4.588 4.534 4.688 . 0 0 "[ . 1 . 2]" 1
235 2 8 LEU H 2 9 ARG H . . 3.390 2.469 2.429 2.516 . 0 0 "[ . 1 . 2]" 1
236 2 9 ARG H 2 10 LYS H . . 3.580 2.673 2.615 2.729 . 0 0 "[ . 1 . 2]" 1
237 2 9 ARG H 2 11 GLU H . . 4.460 3.933 3.835 3.993 . 0 0 "[ . 1 . 2]" 1
238 2 6 GLU HA 2 9 ARG H . . 4.170 3.148 2.976 3.316 . 0 0 "[ . 1 . 2]" 1
239 2 9 ARG H 2 9 ARG QD . . 4.970 4.391 4.194 4.776 . 0 0 "[ . 1 . 2]" 1
240 2 9 ARG H 2 9 ARG QB . . 3.250 2.189 2.146 2.243 . 0 0 "[ . 1 . 2]" 1
241 2 9 ARG H 2 10 LYS QG . . 4.630 4.246 4.139 4.334 . 0 0 "[ . 1 . 2]" 1
242 2 85 LYS H 2 86 ALA H . . 3.670 2.580 2.485 2.686 . 0 0 "[ . 1 . 2]" 1
243 2 86 ALA H 2 87 LYS H . . 3.510 2.549 2.379 2.686 . 0 0 "[ . 1 . 2]" 1
244 2 86 ALA H 2 88 GLU H . . 4.810 4.196 3.933 4.405 . 0 0 "[ . 1 . 2]" 1
245 2 84 SER QB 2 86 ALA H . . 4.470 3.235 2.531 3.723 . 0 0 "[ . 1 . 2]" 1
246 2 86 ALA H 2 86 ALA MB . . 3.070 2.229 2.213 2.248 . 0 0 "[ . 1 . 2]" 1
247 2 12 LEU H 2 13 VAL H . . 3.540 2.584 2.544 2.651 . 0 0 "[ . 1 . 2]" 1
248 2 13 VAL H 2 14 LYS H . . 3.330 2.546 2.462 2.639 . 0 0 "[ . 1 . 2]" 1
249 2 13 VAL H 2 13 VAL HB . . 3.140 2.407 2.338 2.464 . 0 0 "[ . 1 . 2]" 1
250 2 12 LEU HB2 2 13 VAL H . . 4.070 2.944 2.766 3.166 . 0 0 "[ . 1 . 2]" 1
251 2 12 LEU HB3 2 13 VAL H . . 4.070 3.762 3.540 3.938 . 0 0 "[ . 1 . 2]" 1
252 2 12 LEU QD 2 13 VAL H . . 5.120 4.209 4.059 4.299 . 0 0 "[ . 1 . 2]" 1
253 2 17 SER H 2 71 THR H . . 5.180 4.451 4.185 4.634 . 0 0 "[ . 1 . 2]" 1
254 2 16 ASP HA 2 17 SER H . . 3.150 2.205 2.178 2.236 . 0 0 "[ . 1 . 2]" 1
255 2 16 ASP HB2 2 17 SER H . . 4.540 4.153 4.082 4.264 . 0 0 "[ . 1 . 2]" 1
256 2 6 GLU H 2 7 GLU H . . 3.780 2.466 2.387 2.535 . 0 0 "[ . 1 . 2]" 1
257 2 5 PHE QB 2 6 GLU H . . 4.040 2.994 2.869 3.107 . 0 0 "[ . 1 . 2]" 1
258 2 6 GLU H 2 6 GLU QG . . 3.700 2.335 2.296 2.376 . 0 0 "[ . 1 . 2]" 1
259 2 6 GLU H 2 6 GLU HB2 . . 3.800 2.358 2.340 2.397 . 0 0 "[ . 1 . 2]" 1
260 2 6 GLU H 2 6 GLU HB3 . . 3.800 3.582 3.569 3.598 . 0 0 "[ . 1 . 2]" 1
261 2 12 LEU H 2 13 VAL MG1 . . 4.570 4.338 4.267 4.466 . 0 0 "[ . 1 . 2]" 1
262 2 104 LYS HA 2 106 TRP H . . 4.530 4.360 4.286 4.456 . 0 0 "[ . 1 . 2]" 1
263 2 12 LEU QD 2 106 TRP H . . 4.720 4.126 4.007 4.385 . 0 0 "[ . 1 . 2]" 1
264 2 10 LYS HA 2 12 LEU H . . 4.990 4.328 4.126 4.593 . 0 0 "[ . 1 . 2]" 1
265 2 10 LYS H 2 12 LEU H . . 4.820 4.128 4.045 4.218 . 0 0 "[ . 1 . 2]" 1
266 2 11 GLU H 2 12 LEU H . . 3.250 2.494 2.464 2.545 . 0 0 "[ . 1 . 2]" 1
267 2 8 LEU HA 2 12 LEU H . . 4.880 3.895 3.605 4.275 . 0 0 "[ . 1 . 2]" 1
268 2 11 GLU HB3 2 12 LEU H . . 3.330 2.739 2.659 2.850 . 0 0 "[ . 1 . 2]" 1
269 2 12 LEU H 2 12 LEU HB2 . . 3.700 2.303 2.152 2.397 . 0 0 "[ . 1 . 2]" 1
270 2 12 LEU H 2 12 LEU HB3 . . 3.700 3.546 3.462 3.586 . 0 0 "[ . 1 . 2]" 1
271 2 12 LEU H 2 12 LEU QD . . 3.890 3.010 2.387 3.197 . 0 0 "[ . 1 . 2]" 1
272 2 59 TRP H 2 60 HIS H . . 4.110 2.650 2.602 2.716 . 0 0 "[ . 1 . 2]" 1
273 2 58 ASP H 2 59 TRP H . . 4.020 2.637 2.514 2.761 . 0 0 "[ . 1 . 2]" 1
274 2 59 TRP H 2 59 TRP HD1 . . 5.000 4.644 4.568 4.698 . 0 0 "[ . 1 . 2]" 1
275 2 56 ARG HA 2 59 TRP H . . 4.240 3.259 3.008 3.518 . 0 0 "[ . 1 . 2]" 1
276 2 59 TRP H 2 59 TRP HB2 . . 3.500 2.666 2.626 2.751 . 0 0 "[ . 1 . 2]" 1
277 2 59 TRP H 2 59 TRP HB3 . . 3.500 2.275 2.246 2.313 . 0 0 "[ . 1 . 2]" 1
278 2 56 ARG QB 2 59 TRP H . . 5.290 4.805 4.612 4.972 . 0 0 "[ . 1 . 2]" 1
279 2 59 TRP H 2 61 VAL MG2 . . 5.040 4.413 4.303 4.526 . 0 0 "[ . 1 . 2]" 1
280 2 59 TRP H 2 62 ILE MD . . 5.110 4.265 3.936 4.483 . 0 0 "[ . 1 . 2]" 1
281 2 106 TRP H 2 109 VAL H . . 5.500 4.712 4.637 4.805 . 0 0 "[ . 1 . 2]" 1
282 2 106 TRP H 2 107 SER H . . 3.500 2.559 2.528 2.613 . 0 0 "[ . 1 . 2]" 1
283 2 106 TRP H 2 106 TRP QB . . 3.100 2.231 2.214 2.253 . 0 0 "[ . 1 . 2]" 1
284 2 105 ALA MB 2 106 TRP H . . 3.350 2.630 2.551 2.681 . 0 0 "[ . 1 . 2]" 1
285 2 24 ILE MG 2 26 GLU H . . 5.410 4.962 4.682 5.163 . 0 0 "[ . 1 . 2]" 1
286 2 51 ASN H 2 52 ILE H . . 3.250 2.842 2.787 2.892 . 0 0 "[ . 1 . 2]" 1
287 2 50 VAL H 2 51 ASN H . . 3.060 2.204 2.067 2.493 . 0 0 "[ . 1 . 2]" 1
288 2 47 TYR HA 2 51 ASN H . . 4.490 4.495 4.381 4.618 0.128 17 0 "[ . 1 . 2]" 1
289 2 51 ASN H 2 51 ASN HA . . 2.750 2.253 2.243 2.261 . 0 0 "[ . 1 . 2]" 1
290 2 48 ALA HA 2 51 ASN H . . 3.950 3.431 3.147 3.683 . 0 0 "[ . 1 . 2]" 1
291 2 51 ASN H 2 51 ASN HB2 . . 4.150 3.360 2.963 3.591 . 0 0 "[ . 1 . 2]" 1
292 2 51 ASN H 2 51 ASN HB3 . . 4.150 3.888 3.617 4.041 . 0 0 "[ . 1 . 2]" 1
293 2 50 VAL HB 2 51 ASN H . . 4.370 4.305 4.250 4.339 . 0 0 "[ . 1 . 2]" 1
294 2 50 VAL MG1 2 51 ASN H . . 3.800 3.070 2.924 3.184 . 0 0 "[ . 1 . 2]" 1
295 2 51 ASN H 2 52 ILE MG . . 4.510 4.029 3.960 4.112 . 0 0 "[ . 1 . 2]" 1
296 2 49 ASP H 2 52 ILE H . . 5.500 5.408 5.157 5.535 0.035 18 0 "[ . 1 . 2]" 1
297 2 47 TYR HD1 2 52 ILE H . . 5.500 5.081 4.800 5.453 . 0 0 "[ . 1 . 2]" 1
298 2 51 ASN HA 2 52 ILE H . . 3.160 2.892 2.799 3.002 . 0 0 "[ . 1 . 2]" 1
299 2 47 TYR HB3 2 52 ILE H . . 4.540 3.758 3.588 4.132 . 0 0 "[ . 1 . 2]" 1
300 2 52 ILE H 2 52 ILE HB . . 3.570 2.758 2.704 2.799 . 0 0 "[ . 1 . 2]" 1
301 2 50 VAL MG1 2 52 ILE H . . 3.680 2.301 2.166 2.359 . 0 0 "[ . 1 . 2]" 1
302 2 50 VAL MG2 2 52 ILE H . . 4.700 4.128 3.996 4.189 . 0 0 "[ . 1 . 2]" 1
303 2 52 ILE H 2 52 ILE MG . . 3.100 1.903 1.823 1.966 . 0 0 "[ . 1 . 2]" 1
304 2 78 GLU H 2 79 LEU H . . 3.140 2.558 2.425 2.687 . 0 0 "[ . 1 . 2]" 1
305 2 79 LEU H 2 80 LEU H . . 3.460 2.562 2.492 2.629 . 0 0 "[ . 1 . 2]" 1
306 2 79 LEU H 2 79 LEU HB2 . . 3.670 2.471 2.092 2.622 . 0 0 "[ . 1 . 2]" 1
307 2 79 LEU H 2 79 LEU HB3 . . 3.670 2.677 2.324 3.571 . 0 0 "[ . 1 . 2]" 1
308 2 79 LEU H 2 79 LEU MD1 . . 4.800 3.996 3.530 4.163 . 0 0 "[ . 1 . 2]" 1
309 2 23 LYS HA 2 26 GLU H . . 3.700 3.478 3.123 3.688 . 0 0 "[ . 1 . 2]" 1
310 2 26 GLU H 2 27 GLU H . . 3.270 2.458 2.361 2.536 . 0 0 "[ . 1 . 2]" 1
311 2 25 LYS H 2 26 GLU H . . 3.380 2.671 2.533 2.818 . 0 0 "[ . 1 . 2]" 1
312 2 26 GLU H 2 26 GLU HG2 . . 4.280 2.537 1.951 3.584 . 0 0 "[ . 1 . 2]" 1
313 2 26 GLU H 2 26 GLU QB . . 2.730 2.385 2.319 2.577 . 0 0 "[ . 1 . 2]" 1
314 2 25 LYS HB3 2 26 GLU H . . 4.190 3.160 2.548 4.264 0.074 15 0 "[ . 1 . 2]" 1
315 2 50 VAL MG2 2 51 ASN H . . 4.200 4.272 4.226 4.298 0.098 17 0 "[ . 1 . 2]" 1
316 2 97 TYR H 2 98 PHE H . . 3.940 2.620 2.550 2.706 . 0 0 "[ . 1 . 2]" 1
317 2 97 TYR H 2 97 TYR QD . . 4.370 4.107 4.031 4.165 . 0 0 "[ . 1 . 2]" 1
318 2 97 TYR H 2 97 TYR HB3 . . 3.450 2.278 2.222 2.324 . 0 0 "[ . 1 . 2]" 1
319 2 97 TYR H 2 97 TYR HB2 . . 3.840 2.794 2.712 2.923 . 0 0 "[ . 1 . 2]" 1
320 2 96 LYS QG 2 97 TYR H . . 4.730 3.987 3.406 4.560 . 0 0 "[ . 1 . 2]" 1
321 2 22 GLU H 2 24 ILE H . . 4.480 4.035 3.923 4.139 . 0 0 "[ . 1 . 2]" 1
322 2 22 GLU H 2 23 LYS H . . 3.390 2.650 2.549 2.781 . 0 0 "[ . 1 . 2]" 1
323 2 44 ASN HB2 2 45 LYS H . . 5.250 3.819 3.444 4.384 . 0 0 "[ . 1 . 2]" 1
324 2 67 LYS H 2 68 HIS H . . 3.600 2.575 2.491 2.638 . 0 0 "[ . 1 . 2]" 1
325 2 47 TYR H 2 49 ASP H . . 4.660 4.219 3.972 4.325 . 0 0 "[ . 1 . 2]" 1
326 2 48 ALA H 2 49 ASP H . . 3.520 2.530 2.485 2.573 . 0 0 "[ . 1 . 2]" 1
327 2 49 ASP H 2 51 ASN H . . 4.670 3.709 3.475 3.832 . 0 0 "[ . 1 . 2]" 1
328 2 49 ASP H 2 50 VAL H . . 3.410 2.362 2.318 2.417 . 0 0 "[ . 1 . 2]" 1
329 2 49 ASP H 2 49 ASP HB2 . . 3.800 2.407 2.346 2.707 . 0 0 "[ . 1 . 2]" 1
330 2 49 ASP H 2 49 ASP HB3 . . 3.800 3.544 2.399 3.620 . 0 0 "[ . 1 . 2]" 1
331 2 48 ALA MB 2 49 ASP H . . 3.220 2.949 2.910 3.009 . 0 0 "[ . 1 . 2]" 1
332 2 112 TYR H 2 112 TYR HB3 . . 3.530 3.564 3.485 3.604 0.074 3 0 "[ . 1 . 2]" 1
333 2 112 TYR H 2 112 TYR HB2 . . 3.300 2.283 2.166 2.343 . 0 0 "[ . 1 . 2]" 1
334 2 111 LYS HB3 2 112 TYR H . . 4.070 3.054 2.708 4.162 0.092 14 0 "[ . 1 . 2]" 1
335 2 111 LYS QG 2 112 TYR H . . 4.250 3.460 2.452 3.731 . 0 0 "[ . 1 . 2]" 1
336 2 109 VAL HA 2 112 TYR H . . 4.390 3.310 3.188 3.502 . 0 0 "[ . 1 . 2]" 1
337 2 21 VAL H 2 22 GLU H . . 3.880 2.690 2.543 2.775 . 0 0 "[ . 1 . 2]" 1
338 2 22 GLU H 2 25 LYS H . . 5.420 4.927 4.770 5.247 . 0 0 "[ . 1 . 2]" 1
339 2 22 GLU H 2 22 GLU QG . . 3.980 2.990 1.945 3.981 0.001 9 0 "[ . 1 . 2]" 1
340 2 22 GLU H 2 22 GLU QB . . 2.730 2.326 2.162 2.525 . 0 0 "[ . 1 . 2]" 1
341 2 21 VAL MG1 2 22 GLU H . . 4.260 3.389 2.429 4.187 . 0 0 "[ . 1 . 2]" 1
342 2 43 GLU HB3 2 45 LYS H . . 4.790 2.688 2.397 2.937 . 0 0 "[ . 1 . 2]" 1
343 2 46 THR HB 2 49 ASP H . . 4.660 3.908 3.248 4.377 . 0 0 "[ . 1 . 2]" 1
344 2 7 GLU H 2 9 ARG H . . 4.960 3.853 3.768 3.927 . 0 0 "[ . 1 . 2]" 1
345 2 7 GLU H 2 7 GLU QG . . 4.200 2.987 2.286 3.990 . 0 0 "[ . 1 . 2]" 1
346 2 7 GLU H 2 7 GLU QB . . 3.040 2.293 2.203 2.368 . 0 0 "[ . 1 . 2]" 1
347 2 108 VAL HA 2 112 TYR H . . 5.500 4.457 4.277 4.577 . 0 0 "[ . 1 . 2]" 1
348 2 47 TYR HA 2 49 ASP H . . 4.240 3.883 3.784 4.036 . 0 0 "[ . 1 . 2]" 1
349 2 98 PHE H 2 99 VAL H . . 3.880 2.653 2.542 2.723 . 0 0 "[ . 1 . 2]" 1
350 2 99 VAL H 2 99 VAL QG . . 3.130 2.295 2.094 2.433 . 0 0 "[ . 1 . 2]" 1
351 2 46 THR H 2 49 ASP H . . 3.940 3.133 3.001 3.363 . 0 0 "[ . 1 . 2]" 1
352 2 101 THR H 2 101 THR MG . . 3.810 2.239 2.117 2.316 . 0 0 "[ . 1 . 2]" 1
353 2 64 TYR H 2 64 TYR QD . . 4.200 4.150 4.103 4.192 . 0 0 "[ . 1 . 2]" 1
354 2 64 TYR H 2 65 LEU HB2 . . 5.110 4.590 4.441 4.745 . 0 0 "[ . 1 . 2]" 1
355 2 61 VAL HA 2 64 TYR H . . 5.390 3.253 3.102 3.414 . 0 0 "[ . 1 . 2]" 1
356 2 63 LEU HB2 2 64 TYR H . . 4.240 2.733 2.616 2.804 . 0 0 "[ . 1 . 2]" 1
357 2 63 LEU HB3 2 64 TYR H . . 4.240 3.405 3.246 3.498 . 0 0 "[ . 1 . 2]" 1
358 2 64 TYR H 2 65 LEU HG . . 4.510 4.478 4.388 4.564 0.054 15 0 "[ . 1 . 2]" 1
359 2 37 ILE MD 2 64 TYR H . . 4.870 3.832 3.547 4.430 . 0 0 "[ . 1 . 2]" 1
360 2 28 ILE H 2 29 CYS QB . . 5.020 4.121 3.907 4.366 . 0 0 "[ . 1 . 2]" 1
361 2 100 ILE H 2 101 THR H . . 3.580 2.664 2.620 2.705 . 0 0 "[ . 1 . 2]" 1
362 2 101 THR H 2 101 THR HB . . 3.690 3.585 3.574 3.602 . 0 0 "[ . 1 . 2]" 1
363 2 100 ILE HB 2 101 THR H . . 3.490 2.768 2.716 2.817 . 0 0 "[ . 1 . 2]" 1
364 2 25 LYS H 2 28 ILE H . . 4.970 4.869 4.734 4.958 . 0 0 "[ . 1 . 2]" 1
365 2 27 GLU HB2 2 28 ILE H . . 3.850 3.128 3.050 3.303 . 0 0 "[ . 1 . 2]" 1
366 2 25 LYS HA 2 28 ILE H . . 4.000 3.524 3.011 3.819 . 0 0 "[ . 1 . 2]" 1
367 2 27 GLU HB3 2 28 ILE H . . 4.050 3.942 3.834 4.021 . 0 0 "[ . 1 . 2]" 1
368 2 28 ILE H 2 28 ILE HG13 . . 2.980 2.746 2.564 2.861 . 0 0 "[ . 1 . 2]" 1
369 2 28 ILE H 2 28 ILE MG . . 3.910 3.687 3.624 3.725 . 0 0 "[ . 1 . 2]" 1
370 2 88 GLU QG 2 89 ASN H . . 5.400 4.290 3.999 4.603 . 0 0 "[ . 1 . 2]" 1
371 2 89 ASN H 2 94 THR MG . . 4.880 2.016 1.796 2.312 . 0 0 "[ . 1 . 2]" 1
372 2 76 ILE H 2 77 LEU H . . 4.050 2.589 2.484 2.720 . 0 0 "[ . 1 . 2]" 1
373 2 76 ILE H 2 76 ILE HB . . 3.220 2.316 2.210 2.487 . 0 0 "[ . 1 . 2]" 1
374 2 76 ILE H 2 76 ILE HG13 . . 3.260 2.602 2.050 3.427 0.167 1 0 "[ . 1 . 2]" 1
375 2 76 ILE H 2 78 GLU H . . 4.740 4.004 3.911 4.092 . 0 0 "[ . 1 . 2]" 1
376 2 25 LYS H 2 27 GLU H . . 4.020 4.053 3.943 4.087 0.067 5 0 "[ . 1 . 2]" 1
377 2 22 GLU HA 2 25 LYS H . . 4.550 3.729 3.270 4.155 . 0 0 "[ . 1 . 2]" 1
378 2 25 LYS H 2 26 GLU QB . . 5.500 4.725 4.524 4.933 . 0 0 "[ . 1 . 2]" 1
379 2 24 ILE HB 2 25 LYS H . . 3.210 2.832 2.610 3.009 . 0 0 "[ . 1 . 2]" 1
380 2 25 LYS H 2 25 LYS HB3 . . 3.740 2.439 2.250 2.761 . 0 0 "[ . 1 . 2]" 1
381 2 25 LYS H 2 25 LYS HG2 . . 4.330 3.867 1.852 4.382 0.052 11 0 "[ . 1 . 2]" 1
382 2 25 LYS H 2 25 LYS HG3 . . 4.430 3.793 1.803 4.486 0.056 8 0 "[ . 1 . 2]" 1
383 2 24 ILE MG 2 25 LYS H . . 3.640 3.496 3.110 3.652 0.012 1 0 "[ . 1 . 2]" 1
384 2 25 LYS H 2 65 LEU MD2 . . 5.080 5.027 4.511 5.225 0.145 10 0 "[ . 1 . 2]" 1
385 2 23 LYS H 2 25 LYS H . . 4.520 3.973 3.759 4.292 . 0 0 "[ . 1 . 2]" 1
386 2 109 VAL HA 2 111 LYS H . . 4.910 4.301 4.230 4.529 . 0 0 "[ . 1 . 2]" 1
387 2 110 LYS H 2 111 LYS H . . 3.580 2.589 2.526 2.672 . 0 0 "[ . 1 . 2]" 1
388 2 111 LYS H 2 112 TYR H . . 3.310 2.607 2.530 2.651 . 0 0 "[ . 1 . 2]" 1
389 2 108 VAL HA 2 111 LYS H . . 4.600 3.527 3.433 3.729 . 0 0 "[ . 1 . 2]" 1
390 2 111 LYS H 2 111 LYS HB3 . . 3.060 2.390 2.336 2.600 . 0 0 "[ . 1 . 2]" 1
391 2 110 LYS HB2 2 111 LYS H . . 3.890 3.971 3.919 4.016 0.126 14 0 "[ . 1 . 2]" 1
392 2 39 GLU H 2 40 ILE HB . . 5.500 4.885 4.708 5.064 . 0 0 "[ . 1 . 2]" 1
393 2 94 THR H 2 94 THR MG . . 4.230 2.432 1.870 3.740 . 0 0 "[ . 1 . 2]" 1
394 2 39 GLU HA 2 42 CYS H . . 5.410 4.539 4.033 5.000 . 0 0 "[ . 1 . 2]" 1
395 2 77 LEU H 2 77 LEU HB2 . . 3.180 2.613 2.442 2.717 . 0 0 "[ . 1 . 2]" 1
396 2 77 LEU H 2 77 LEU MD1 . . 4.400 4.133 4.009 4.200 . 0 0 "[ . 1 . 2]" 1
397 2 40 ILE H 2 41 ILE H . . 3.570 2.309 2.186 2.567 . 0 0 "[ . 1 . 2]" 1
398 2 37 ILE HA 2 41 ILE H . . 4.170 3.712 3.254 3.975 . 0 0 "[ . 1 . 2]" 1
399 2 41 ILE H 2 41 ILE HB . . 3.190 2.472 2.377 2.633 . 0 0 "[ . 1 . 2]" 1
400 2 40 ILE HB 2 41 ILE H . . 3.380 2.950 2.769 3.183 . 0 0 "[ . 1 . 2]" 1
401 2 41 ILE H 2 41 ILE HG13 . . 4.030 2.877 2.460 3.911 . 0 0 "[ . 1 . 2]" 1
402 2 37 ILE MG 2 41 ILE H . . 4.370 3.891 3.644 4.035 . 0 0 "[ . 1 . 2]" 1
403 2 37 ILE MD 2 41 ILE H . . 5.020 4.981 4.565 5.127 0.107 7 0 "[ . 1 . 2]" 1
404 2 40 ILE MD 2 41 ILE H . . 5.350 4.800 4.675 5.089 . 0 0 "[ . 1 . 2]" 1
405 2 43 GLU H 2 45 LYS H . . 5.470 4.308 3.946 4.573 . 0 0 "[ . 1 . 2]" 1
406 2 39 GLU HA 2 43 GLU H . . 4.270 3.996 3.059 4.380 0.110 18 0 "[ . 1 . 2]" 1
407 2 43 GLU H 2 43 GLU HB3 . . 3.750 3.765 3.605 3.841 0.091 1 0 "[ . 1 . 2]" 1
408 2 43 GLU H 2 43 GLU HG2 . . 4.160 2.935 2.238 4.186 0.026 1 0 "[ . 1 . 2]" 1
409 2 77 LEU H 2 78 GLU H . . 3.530 2.416 2.346 2.513 . 0 0 "[ . 1 . 2]" 1
410 2 74 ASP HA 2 78 GLU H . . 4.920 4.011 3.709 4.321 . 0 0 "[ . 1 . 2]" 1
411 2 75 LYS HA 2 78 GLU H . . 3.540 3.373 2.952 3.645 0.105 10 0 "[ . 1 . 2]" 1
412 2 78 GLU H 2 78 GLU HG3 . . 4.280 3.650 2.628 3.826 . 0 0 "[ . 1 . 2]" 1
413 2 75 LYS HB2 2 78 GLU H . . 5.500 5.484 5.026 5.631 0.131 18 0 "[ . 1 . 2]" 1
414 2 75 LYS HB3 2 78 GLU H . . 5.500 5.389 5.042 5.718 0.218 7 0 "[ . 1 . 2]" 1
415 2 77 LEU HB3 2 78 GLU H . . 3.550 2.890 2.749 3.027 . 0 0 "[ . 1 . 2]" 1
416 2 77 LEU MD1 2 78 GLU H . . 5.430 4.653 4.539 4.783 . 0 0 "[ . 1 . 2]" 1
417 2 40 ILE H 2 40 ILE HB . . 3.340 2.513 2.419 2.647 . 0 0 "[ . 1 . 2]" 1
418 2 40 ILE H 2 40 ILE HG12 . . 3.820 2.557 2.213 3.667 . 0 0 "[ . 1 . 2]" 1
419 2 74 ASP H 2 75 LYS H . . 3.150 2.657 2.597 2.789 . 0 0 "[ . 1 . 2]" 1
420 2 74 ASP H 2 74 ASP QB . . 3.140 2.360 2.338 2.389 . 0 0 "[ . 1 . 2]" 1
421 2 39 GLU H 2 40 ILE H . . 4.470 2.576 2.485 2.674 . 0 0 "[ . 1 . 2]" 1
422 2 39 GLU HG2 2 40 ILE H . . 5.500 4.721 3.905 5.356 . 0 0 "[ . 1 . 2]" 1
423 2 40 ILE H 2 40 ILE HG13 . . 3.820 3.661 2.422 3.900 0.080 19 0 "[ . 1 . 2]" 1
424 2 40 ILE H 2 40 ILE MG . . 3.900 3.805 3.757 3.860 . 0 0 "[ . 1 . 2]" 1
425 2 68 HIS H 2 70 VAL H . . 5.280 3.682 3.418 3.866 . 0 0 "[ . 1 . 2]" 1
426 2 68 HIS H 2 68 HIS HD2 . . 5.070 4.800 4.745 5.077 0.007 19 0 "[ . 1 . 2]" 1
427 2 68 HIS H 2 68 HIS HB2 . . 3.660 2.416 2.335 2.509 . 0 0 "[ . 1 . 2]" 1
428 2 68 HIS H 2 68 HIS HB3 . . 3.310 2.530 2.438 2.632 . 0 0 "[ . 1 . 2]" 1
429 2 55 SER H 2 57 GLY H . . 5.150 3.874 3.720 3.962 . 0 0 "[ . 1 . 2]" 1
430 2 54 ARG H 2 55 SER H . . 4.510 2.621 2.529 2.775 . 0 0 "[ . 1 . 2]" 1
431 2 55 SER H 2 56 ARG H . . 3.370 2.565 2.490 2.646 . 0 0 "[ . 1 . 2]" 1
432 2 53 ASP HA 2 55 SER H . . 4.760 3.996 3.801 4.145 . 0 0 "[ . 1 . 2]" 1
433 2 55 SER H 2 55 SER HB2 . . 4.180 3.006 2.428 3.592 . 0 0 "[ . 1 . 2]" 1
434 2 53 ASP HB2 2 55 SER H . . 5.500 4.052 3.651 4.909 . 0 0 "[ . 1 . 2]" 1
435 2 53 ASP HB3 2 55 SER H . . 5.500 3.279 2.735 4.460 . 0 0 "[ . 1 . 2]" 1
436 2 7 GLU H 2 10 LYS H . . 5.150 4.927 4.803 5.047 . 0 0 "[ . 1 . 2]" 1
437 2 7 GLU HA 2 10 LYS H . . 4.170 3.573 3.488 3.708 . 0 0 "[ . 1 . 2]" 1
438 2 6 GLU HA 2 10 LYS H . . 4.790 4.299 3.941 4.463 . 0 0 "[ . 1 . 2]" 1
439 2 10 LYS H 2 10 LYS QE . . 4.920 4.252 4.188 4.381 . 0 0 "[ . 1 . 2]" 1
440 2 7 GLU QB 2 10 LYS H . . 5.500 5.034 4.902 5.191 . 0 0 "[ . 1 . 2]" 1
441 2 10 LYS H 2 11 GLU HB2 . . 5.500 4.727 4.560 4.883 . 0 0 "[ . 1 . 2]" 1
442 2 10 LYS H 2 10 LYS QB . . 3.200 2.375 2.309 2.429 . 0 0 "[ . 1 . 2]" 1
443 2 10 LYS H 2 10 LYS QG . . 4.000 2.270 2.211 2.336 . 0 0 "[ . 1 . 2]" 1
444 2 82 ARG H 2 84 SER H . . 5.220 4.067 3.824 4.318 . 0 0 "[ . 1 . 2]" 1
445 2 40 ILE MG 2 82 ARG H . . 5.500 5.325 4.841 5.536 0.036 20 0 "[ . 1 . 2]" 1
446 2 82 ARG H 2 83 ASP HA . . 5.410 5.198 5.098 5.405 . 0 0 "[ . 1 . 2]" 1
447 2 82 ARG H 2 82 ARG HB2 . . 3.680 2.456 2.298 2.637 . 0 0 "[ . 1 . 2]" 1
448 2 82 ARG H 2 82 ARG HB3 . . 3.680 2.987 2.386 3.618 . 0 0 "[ . 1 . 2]" 1
449 2 13 VAL H 2 15 ARG H . . 4.930 3.952 3.859 4.053 . 0 0 "[ . 1 . 2]" 1
450 2 13 VAL HA 2 15 ARG H . . 4.860 3.980 3.895 4.071 . 0 0 "[ . 1 . 2]" 1
451 2 12 LEU HA 2 15 ARG H . . 4.100 3.366 3.191 3.552 . 0 0 "[ . 1 . 2]" 1
452 2 15 ARG H 2 16 ASP HB2 . . 5.110 4.686 4.565 4.789 . 0 0 "[ . 1 . 2]" 1
453 2 15 ARG H 2 15 ARG HB2 . . 3.650 2.242 2.071 2.406 . 0 0 "[ . 1 . 2]" 1
454 2 14 LYS QB 2 15 ARG H . . 3.600 3.003 2.759 3.150 . 0 0 "[ . 1 . 2]" 1
455 2 15 ARG H 2 15 ARG QG . . 3.400 2.722 2.278 3.219 . 0 0 "[ . 1 . 2]" 1
456 2 15 ARG H 2 15 ARG HB3 . . 3.650 3.517 3.369 3.602 . 0 0 "[ . 1 . 2]" 1
457 2 27 GLU HA 2 29 CYS H . . 4.710 4.582 4.035 4.758 0.048 3 0 "[ . 1 . 2]" 1
458 2 25 LYS HA 2 29 CYS H . . 4.340 4.153 3.750 4.404 0.064 18 0 "[ . 1 . 2]" 1
459 2 29 CYS H 2 29 CYS QB . . 3.160 2.225 2.132 2.282 . 0 0 "[ . 1 . 2]" 1
460 2 26 GLU QB 2 29 CYS H . . 5.190 4.871 4.661 5.106 . 0 0 "[ . 1 . 2]" 1
461 2 28 ILE HB 2 29 CYS H . . 3.330 2.906 2.747 3.196 . 0 0 "[ . 1 . 2]" 1
462 2 29 CYS H 2 30 THR MG . . 5.010 4.026 3.839 4.310 . 0 0 "[ . 1 . 2]" 1
463 2 28 ILE HG12 2 29 CYS H . . 5.340 5.189 5.118 5.309 . 0 0 "[ . 1 . 2]" 1
464 2 28 ILE MG 2 29 CYS H . . 3.870 3.347 3.195 3.661 . 0 0 "[ . 1 . 2]" 1
465 2 47 TYR H 2 83 ASP H . . 5.400 4.939 4.430 5.299 . 0 0 "[ . 1 . 2]" 1
466 2 83 ASP H 2 84 SER H . . 3.420 2.422 2.145 2.738 . 0 0 "[ . 1 . 2]" 1
467 2 82 ARG HB2 2 83 ASP H . . 3.910 3.508 2.900 4.010 0.100 18 0 "[ . 1 . 2]" 1
468 2 82 ARG HB3 2 83 ASP H . . 3.910 3.247 2.495 3.993 0.083 17 0 "[ . 1 . 2]" 1
469 2 82 ARG H 2 83 ASP H . . 3.800 2.525 2.373 2.785 . 0 0 "[ . 1 . 2]" 1
470 2 83 ASP H 2 84 SER QB . . 5.200 4.014 3.820 4.320 . 0 0 "[ . 1 . 2]" 1
471 2 46 THR MG 2 83 ASP H . . 4.130 3.382 2.386 4.204 0.074 18 0 "[ . 1 . 2]" 1
472 2 60 HIS H 2 62 ILE MD . . 5.500 5.392 5.092 5.517 0.017 15 0 "[ . 1 . 2]" 1
473 2 56 ARG HA 2 60 HIS H . . 4.940 3.935 3.719 4.184 . 0 0 "[ . 1 . 2]" 1
474 2 59 TRP HB2 2 60 HIS H . . 4.100 4.150 4.134 4.177 0.077 14 0 "[ . 1 . 2]" 1
475 2 59 TRP HB3 2 60 HIS H . . 4.100 2.895 2.869 2.947 . 0 0 "[ . 1 . 2]" 1
476 2 60 HIS H 2 60 HIS QB . . 3.320 2.217 2.185 2.259 . 0 0 "[ . 1 . 2]" 1
477 2 60 HIS H 2 61 VAL MG1 . . 4.360 4.038 3.968 4.088 . 0 0 "[ . 1 . 2]" 1
478 2 77 LEU MD1 2 87 LYS H . . 5.070 5.005 4.385 5.235 0.165 11 0 "[ . 1 . 2]" 1
479 2 84 SER H 2 87 LYS H . . 5.500 4.963 4.459 5.605 0.105 2 0 "[ . 1 . 2]" 1
480 2 87 LYS H 2 88 GLU H . . 3.270 2.115 1.789 2.568 . 0 0 "[ . 1 . 2]" 1
481 2 85 LYS HA 2 87 LYS H . . 4.700 3.544 3.290 4.174 . 0 0 "[ . 1 . 2]" 1
482 2 84 SER QB 2 87 LYS H . . 4.860 3.588 2.962 4.085 . 0 0 "[ . 1 . 2]" 1
483 2 87 LYS H 2 87 LYS HB2 . . 3.810 2.940 2.367 3.950 0.140 8 0 "[ . 1 . 2]" 1
484 2 87 LYS H 2 87 LYS HB3 . . 3.810 3.126 2.394 3.898 0.088 6 0 "[ . 1 . 2]" 1
485 2 86 ALA MB 2 87 LYS H . . 3.400 3.257 2.902 3.437 0.037 7 0 "[ . 1 . 2]" 1
486 2 44 ASN H 2 45 LYS H . . 3.530 2.665 2.562 2.771 . 0 0 "[ . 1 . 2]" 1
487 2 43 GLU HA 2 44 ASN H . . 2.860 2.454 2.357 2.550 . 0 0 "[ . 1 . 2]" 1
488 2 44 ASN H 2 44 ASN HB2 . . 4.010 2.775 2.406 3.612 . 0 0 "[ . 1 . 2]" 1
489 2 44 ASN H 2 44 ASN HB3 . . 4.010 3.330 2.686 3.606 . 0 0 "[ . 1 . 2]" 1
490 2 85 LYS H 2 87 LYS H . . 4.830 4.266 3.992 4.575 . 0 0 "[ . 1 . 2]" 1
491 2 102 LEU HG 2 103 SER H . . 4.860 4.499 4.447 4.607 . 0 0 "[ . 1 . 2]" 1
492 2 100 ILE HA 2 103 SER H . . 4.080 3.437 3.372 3.517 . 0 0 "[ . 1 . 2]" 1
493 2 102 LEU HB2 2 103 SER H . . 4.330 2.808 2.691 2.950 . 0 0 "[ . 1 . 2]" 1
494 2 102 LEU HB3 2 103 SER H . . 4.330 3.734 3.608 3.912 . 0 0 "[ . 1 . 2]" 1
495 2 99 VAL QG 2 103 SER H . . 4.660 3.844 3.746 3.928 . 0 0 "[ . 1 . 2]" 1
496 2 107 SER H 2 108 VAL H . . 3.600 2.626 2.589 2.650 . 0 0 "[ . 1 . 2]" 1
497 2 107 SER H 2 107 SER HB3 . . 3.500 2.551 2.407 3.579 0.079 20 0 "[ . 1 . 2]" 1
498 2 106 TRP QB 2 107 SER H . . 3.590 3.023 2.985 3.074 . 0 0 "[ . 1 . 2]" 1
499 2 107 SER H 2 108 VAL HB . . 5.160 4.773 4.710 4.839 . 0 0 "[ . 1 . 2]" 1
500 2 107 SER H 2 109 VAL HB . . 5.250 5.151 5.031 5.238 . 0 0 "[ . 1 . 2]" 1
501 2 84 SER H 2 85 LYS H . . 5.060 4.649 4.579 4.687 . 0 0 "[ . 1 . 2]" 1
502 2 84 SER H 2 84 SER QB . . 3.240 2.264 2.201 2.492 . 0 0 "[ . 1 . 2]" 1
503 2 48 ALA H 2 50 VAL H . . 5.140 4.111 4.049 4.254 . 0 0 "[ . 1 . 2]" 1
504 2 46 THR H 2 50 VAL H . . 5.100 4.669 3.701 4.928 . 0 0 "[ . 1 . 2]" 1
505 2 47 TYR HA 2 50 VAL H . . 3.800 3.379 3.274 3.531 . 0 0 "[ . 1 . 2]" 1
506 2 49 ASP HB2 2 50 VAL H . . 3.960 3.181 2.747 3.945 . 0 0 "[ . 1 . 2]" 1
507 2 49 ASP HB3 2 50 VAL H . . 3.960 3.941 2.655 4.064 0.104 2 0 "[ . 1 . 2]" 1
508 2 50 VAL H 2 50 VAL HB . . 3.830 2.755 2.522 2.848 . 0 0 "[ . 1 . 2]" 1
509 2 50 VAL H 2 50 VAL MG1 . . 3.140 2.209 2.156 2.250 . 0 0 "[ . 1 . 2]" 1
510 2 50 VAL H 2 50 VAL MG2 . . 3.850 3.872 3.795 3.895 0.045 18 0 "[ . 1 . 2]" 1
511 2 17 SER H 2 18 GLY H . . 4.040 2.426 2.287 2.564 . 0 0 "[ . 1 . 2]" 1
512 2 18 GLY H 2 19 LYS H . . 3.450 2.608 2.427 2.738 . 0 0 "[ . 1 . 2]" 1
513 2 16 ASP HA 2 18 GLY H . . 4.640 3.655 3.575 3.725 . 0 0 "[ . 1 . 2]" 1
514 2 16 ASP HB2 2 18 GLY H . . 4.790 4.327 4.239 4.518 . 0 0 "[ . 1 . 2]" 1
515 2 18 GLY H 2 19 LYS QB . . 5.280 4.759 4.680 5.155 . 0 0 "[ . 1 . 2]" 1
516 2 18 GLY H 2 24 ILE MD . . 5.500 5.055 4.426 5.493 . 0 0 "[ . 1 . 2]" 1
517 2 70 VAL HA 2 71 THR H . . 3.210 2.241 2.200 2.271 . 0 0 "[ . 1 . 2]" 1
518 2 15 ARG HA 2 71 THR H . . 5.120 4.221 4.066 4.491 . 0 0 "[ . 1 . 2]" 1
519 2 16 ASP HB2 2 71 THR H . . 4.910 4.932 4.767 5.021 0.111 6 0 "[ . 1 . 2]" 1
520 2 29 CYS H 2 30 THR H . . 3.490 2.614 2.555 2.764 . 0 0 "[ . 1 . 2]" 1
521 2 30 THR H 2 31 LYS H . . 3.190 2.568 2.446 2.670 . 0 0 "[ . 1 . 2]" 1
522 2 30 THR H 2 30 THR HB . . 3.110 2.512 2.442 2.599 . 0 0 "[ . 1 . 2]" 1
523 2 28 ILE HA 2 30 THR H . . 4.950 4.118 3.817 4.264 . 0 0 "[ . 1 . 2]" 1
524 2 29 CYS QB 2 30 THR H . . 4.030 2.949 2.811 3.075 . 0 0 "[ . 1 . 2]" 1
525 2 30 THR H 2 30 THR MG . . 3.390 2.125 1.997 2.226 . 0 0 "[ . 1 . 2]" 1
526 2 28 ILE MG 2 30 THR H . . 4.960 4.762 4.722 4.894 . 0 0 "[ . 1 . 2]" 1
527 2 46 THR H 2 49 ASP HB2 . . 3.930 2.431 1.770 3.006 . 0 0 "[ . 1 . 2]" 1
528 2 46 THR H 2 49 ASP HB3 . . 3.930 3.827 2.795 3.988 0.058 10 0 "[ . 1 . 2]" 1
529 2 45 LYS HB2 2 46 THR H . . 3.870 3.422 3.208 3.786 . 0 0 "[ . 1 . 2]" 1
530 2 45 LYS HB3 2 46 THR H . . 3.870 2.331 2.202 2.573 . 0 0 "[ . 1 . 2]" 1
531 2 46 THR H 2 46 THR MG . . 4.080 3.854 3.289 4.022 . 0 0 "[ . 1 . 2]" 1
532 2 40 ILE MG 2 46 THR H . . 4.810 4.847 4.441 4.962 0.152 3 0 "[ . 1 . 2]" 1
533 2 40 ILE MD 2 46 THR H . . 5.500 3.735 3.328 5.013 . 0 0 "[ . 1 . 2]" 1
534 2 46 THR H 2 47 TYR H . . 5.010 4.396 4.308 4.448 . 0 0 "[ . 1 . 2]" 1
535 2 56 ARG H 2 57 GLY H . . 3.420 2.413 2.357 2.490 . 0 0 "[ . 1 . 2]" 1
536 2 54 ARG HA 2 57 GLY H . . 5.190 3.234 2.823 3.520 . 0 0 "[ . 1 . 2]" 1
537 2 56 ARG QB 2 57 GLY H . . 3.470 2.839 2.751 2.972 . 0 0 "[ . 1 . 2]" 1
538 2 52 ILE MD 2 57 GLY H . . 3.940 3.825 3.484 3.970 0.030 4 0 "[ . 1 . 2]" 1
539 2 47 TYR HD1 2 57 GLY H . . 5.500 4.669 4.436 4.924 . 0 0 "[ . 1 . 2]" 1
540 2 69 GLY H 2 70 VAL H . . 3.450 2.296 2.149 2.367 . 0 0 "[ . 1 . 2]" 1
541 2 67 LYS HA 2 69 GLY H . . 3.610 3.116 3.039 3.295 . 0 0 "[ . 1 . 2]" 1
542 2 68 HIS HB2 2 69 GLY H . . 5.420 4.331 4.271 4.370 . 0 0 "[ . 1 . 2]" 1
543 2 68 HIS HB3 2 69 GLY H . . 4.510 3.531 3.394 3.620 . 0 0 "[ . 1 . 2]" 1
544 2 69 GLY H 2 70 VAL HB . . 5.500 5.363 4.834 5.540 0.040 20 0 "[ . 1 . 2]" 1
545 2 16 ASP H 2 16 ASP HB3 . . 3.790 2.359 2.298 2.437 . 0 0 "[ . 1 . 2]" 1
546 2 13 VAL MG1 2 16 ASP HB3 . . 5.170 5.127 4.867 5.215 0.045 5 0 "[ . 1 . 2]" 1
547 2 16 ASP HB2 2 72 ASP H . . 5.500 5.498 5.367 5.575 0.075 4 0 "[ . 1 . 2]" 1
548 2 13 VAL HA 2 16 ASP HB2 . . 4.310 3.310 2.897 3.662 . 0 0 "[ . 1 . 2]" 1
549 2 13 VAL HA 2 16 ASP HB3 . . 4.470 3.790 3.394 4.196 . 0 0 "[ . 1 . 2]" 1
550 2 54 ARG HA 2 54 ARG HD2 . . 4.350 2.791 2.302 4.523 0.173 17 0 "[ . 1 . 2]" 1
551 2 54 ARG HA 2 54 ARG HD3 . . 4.350 2.793 2.093 4.170 . 0 0 "[ . 1 . 2]" 1
552 2 52 ILE MD 2 56 ARG QD . . 5.380 4.333 2.784 5.428 0.048 5 0 "[ . 1 . 2]" 1
553 2 15 ARG HD2 2 70 VAL HA . . 4.480 4.497 4.370 4.640 0.160 1 0 "[ . 1 . 2]" 1
554 2 15 ARG HD3 2 70 VAL HA . . 4.770 4.319 3.281 4.907 0.137 17 0 "[ . 1 . 2]" 1
555 2 9 ARG QD 2 10 LYS QG . . 4.270 3.553 2.915 3.964 . 0 0 "[ . 1 . 2]" 1
556 2 15 ARG H 2 15 ARG HD2 . . 5.500 5.164 4.813 5.585 0.085 19 0 "[ . 1 . 2]" 1
557 2 15 ARG HD2 2 106 TRP HZ2 . . 5.500 4.786 4.669 4.958 . 0 0 "[ . 1 . 2]" 1
558 2 15 ARG HA 2 15 ARG HD2 . . 4.240 3.436 3.244 3.771 . 0 0 "[ . 1 . 2]" 1
559 2 15 ARG HD2 2 106 TRP HZ3 . . 4.720 3.180 2.876 3.295 . 0 0 "[ . 1 . 2]" 1
560 2 15 ARG H 2 15 ARG HD3 . . 5.500 4.538 3.900 5.292 . 0 0 "[ . 1 . 2]" 1
561 2 15 ARG HD3 2 106 TRP HZ2 . . 5.500 5.576 5.538 5.638 0.138 18 0 "[ . 1 . 2]" 1
562 2 15 ARG HD3 2 106 TRP HZ3 . . 4.920 4.119 2.458 5.006 0.086 6 0 "[ . 1 . 2]" 1
563 2 15 ARG HA 2 15 ARG HD3 . . 4.240 2.607 1.976 3.753 . 0 0 "[ . 1 . 2]" 1
564 2 79 LEU HB2 2 79 LEU MD1 . . 3.580 2.394 2.278 3.242 . 0 0 "[ . 1 . 2]" 1
565 2 79 LEU HB3 2 79 LEU MD1 . . 3.580 3.030 2.392 3.231 . 0 0 "[ . 1 . 2]" 1
566 2 10 LYS QE 2 10 LYS QG . . 3.350 2.157 2.088 2.346 . 0 0 "[ . 1 . 2]" 1
567 2 25 LYS QE 2 41 ILE HA . . 5.430 3.839 3.101 4.584 . 0 0 "[ . 1 . 2]" 1
568 2 9 ARG QD 2 10 LYS QE . . 3.120 3.115 2.767 3.219 0.099 19 0 "[ . 1 . 2]" 1
569 2 77 LEU HB2 2 98 PHE HZ . . 5.090 3.045 2.459 3.433 . 0 0 "[ . 1 . 2]" 1
570 2 77 LEU HB2 2 78 GLU H . . 4.250 4.054 4.009 4.124 . 0 0 "[ . 1 . 2]" 1
571 2 74 ASP HA 2 77 LEU HB2 . . 4.230 4.102 3.820 4.274 0.044 15 0 "[ . 1 . 2]" 1
572 2 77 LEU HB2 2 77 LEU MD1 . . 3.420 2.338 2.307 2.376 . 0 0 "[ . 1 . 2]" 1
573 2 76 ILE HB 2 77 LEU HB2 . . 4.770 4.213 3.698 4.470 . 0 0 "[ . 1 . 2]" 1
574 2 74 ASP HA 2 77 LEU HB3 . . 4.280 3.078 2.863 3.223 . 0 0 "[ . 1 . 2]" 1
575 2 77 LEU H 2 77 LEU HB3 . . 3.600 2.462 2.381 2.579 . 0 0 "[ . 1 . 2]" 1
576 2 77 LEU HB3 2 98 PHE HZ . . 4.780 4.035 3.516 4.496 . 0 0 "[ . 1 . 2]" 1
577 2 76 ILE HB 2 77 LEU HB3 . . 5.500 4.953 4.715 5.123 . 0 0 "[ . 1 . 2]" 1
578 2 52 ILE HB 2 53 ASP H . . 4.310 4.038 3.978 4.097 . 0 0 "[ . 1 . 2]" 1
579 2 62 ILE HA 2 65 LEU HB3 . . 4.790 4.363 3.925 4.578 . 0 0 "[ . 1 . 2]" 1
580 2 65 LEU HB3 2 65 LEU MD2 . . 3.290 2.281 2.260 2.301 . 0 0 "[ . 1 . 2]" 1
581 2 98 PHE H 2 98 PHE HB3 . . 4.000 2.343 2.257 2.496 . 0 0 "[ . 1 . 2]" 1
582 2 42 CYS H 2 42 CYS HB2 . . 4.200 2.549 2.309 2.898 . 0 0 "[ . 1 . 2]" 1
583 2 41 ILE HB 2 42 CYS HB2 . . 5.400 4.170 3.608 4.752 . 0 0 "[ . 1 . 2]" 1
584 2 41 ILE HB 2 42 CYS HB3 . . 5.400 5.130 4.509 5.632 0.232 7 0 "[ . 1 . 2]" 1
585 2 42 CYS H 2 42 CYS HB3 . . 4.200 3.071 2.419 3.807 . 0 0 "[ . 1 . 2]" 1
586 2 5 PHE QB 2 99 VAL QG . . 5.400 4.068 3.428 4.977 . 0 0 "[ . 1 . 2]" 1
587 2 5 PHE QB 2 6 GLU HA . . 4.580 4.388 4.069 4.607 0.027 6 0 "[ . 1 . 2]" 1
588 2 28 ILE H 2 28 ILE HB . . 3.340 2.280 2.205 2.371 . 0 0 "[ . 1 . 2]" 1
589 2 25 LYS HA 2 28 ILE HB . . 4.110 2.866 2.213 3.267 . 0 0 "[ . 1 . 2]" 1
590 2 23 LYS H 2 24 ILE HB . . 5.070 4.419 4.212 4.598 . 0 0 "[ . 1 . 2]" 1
591 2 76 ILE HB 2 77 LEU H . . 3.900 2.845 2.728 2.958 . 0 0 "[ . 1 . 2]" 1
592 2 44 ASN HB3 2 45 LYS H . . 5.250 4.378 4.250 4.538 . 0 0 "[ . 1 . 2]" 1
593 2 37 ILE HA 2 40 ILE HB . . 5.000 3.348 3.077 3.669 . 0 0 "[ . 1 . 2]" 1
594 2 100 ILE HB 2 101 THR MG . . 5.500 3.409 3.329 3.536 . 0 0 "[ . 1 . 2]" 1
595 2 100 ILE HB 2 100 ILE MD . . 3.690 2.321 2.291 2.352 . 0 0 "[ . 1 . 2]" 1
596 2 62 ILE HB 2 105 ALA MB . . 4.700 3.895 3.746 4.101 . 0 0 "[ . 1 . 2]" 1
597 2 62 ILE HB 2 62 ILE MD . . 3.420 2.316 2.286 2.336 . 0 0 "[ . 1 . 2]" 1
598 2 27 GLU HA 2 27 GLU HG2 . . 4.250 2.696 2.400 2.989 . 0 0 "[ . 1 . 2]" 1
599 2 3 VAL QG 2 4 GLU QG . . 4.200 3.423 2.311 4.386 0.186 15 0 "[ . 1 . 2]" 1
600 2 27 GLU H 2 27 GLU HG3 . . 4.130 3.257 2.322 3.851 . 0 0 "[ . 1 . 2]" 1
601 2 39 GLU HG3 2 40 ILE H . . 5.500 4.873 3.945 5.430 . 0 0 "[ . 1 . 2]" 1
602 2 27 GLU HA 2 27 GLU HG3 . . 4.250 3.407 2.754 3.752 . 0 0 "[ . 1 . 2]" 1
603 2 40 ILE H 2 41 ILE HB . . 5.500 4.570 4.394 4.781 . 0 0 "[ . 1 . 2]" 1
604 2 78 GLU H 2 78 GLU HG2 . . 4.280 2.677 2.478 3.831 . 0 0 "[ . 1 . 2]" 1
605 2 22 GLU QG 2 23 LYS H . . 3.860 3.085 2.373 3.884 0.024 5 0 "[ . 1 . 2]" 1
606 2 5 PHE QB 2 6 GLU QG . . 4.560 3.513 3.425 3.590 . 0 0 "[ . 1 . 2]" 1
607 2 22 GLU QG 2 23 LYS QE . . 3.890 3.336 2.451 4.020 0.130 15 0 "[ . 1 . 2]" 1
608 2 22 GLU QG 2 23 LYS HG2 . . 5.500 3.202 2.236 4.405 . 0 0 "[ . 1 . 2]" 1
609 2 22 GLU QG 2 23 LYS HG3 . . 5.500 4.242 2.162 5.426 . 0 0 "[ . 1 . 2]" 1
610 2 4 GLU HA 2 7 GLU QG . . 4.410 3.514 2.900 4.442 0.032 15 0 "[ . 1 . 2]" 1
611 2 86 ALA H 2 88 GLU QG . . 5.110 4.537 4.239 4.987 . 0 0 "[ . 1 . 2]" 1
612 2 88 GLU QG 2 94 THR MG . . 4.890 4.063 3.333 4.896 0.006 13 0 "[ . 1 . 2]" 1
613 2 88 GLU H 2 88 GLU QG . . 4.440 2.366 2.075 2.830 . 0 0 "[ . 1 . 2]" 1
614 2 25 LYS QE 2 41 ILE HB . . 5.500 4.767 4.108 5.342 . 0 0 "[ . 1 . 2]" 1
615 2 41 ILE HB 2 42 CYS H . . 3.700 2.781 2.548 3.139 . 0 0 "[ . 1 . 2]" 1
616 2 26 GLU H 2 26 GLU HG3 . . 4.280 3.365 2.243 3.717 . 0 0 "[ . 1 . 2]" 1
617 2 6 GLU QG 2 7 GLU H . . 4.120 4.203 4.182 4.233 0.113 10 0 "[ . 1 . 2]" 1
618 2 7 GLU QG 2 8 LEU H . . 4.780 3.948 3.511 4.221 . 0 0 "[ . 1 . 2]" 1
619 2 39 GLU HA 2 43 GLU HG2 . . 4.570 3.225 2.499 4.199 . 0 0 "[ . 1 . 2]" 1
620 2 43 GLU HA 2 43 GLU HG2 . . 3.890 2.998 2.423 3.188 . 0 0 "[ . 1 . 2]" 1
621 2 26 GLU HG3 2 27 GLU H . . 5.370 4.884 2.672 5.261 . 0 0 "[ . 1 . 2]" 1
622 2 43 GLU H 2 43 GLU HG3 . . 4.160 4.070 3.254 4.308 0.148 6 0 "[ . 1 . 2]" 1
623 2 43 GLU HA 2 43 GLU HG3 . . 3.890 3.729 3.017 3.808 . 0 0 "[ . 1 . 2]" 1
624 2 39 GLU HA 2 43 GLU HG3 . . 4.570 2.890 2.234 3.823 . 0 0 "[ . 1 . 2]" 1
625 2 11 GLU HG3 2 106 TRP HZ2 . . 4.420 3.092 2.349 3.621 . 0 0 "[ . 1 . 2]" 1
626 2 47 TYR HB3 2 47 TYR HD1 . . 3.710 2.557 2.468 2.661 . 0 0 "[ . 1 . 2]" 1
627 2 19 LYS QB 2 24 ILE H . . 5.350 4.552 3.936 5.437 0.087 13 0 "[ . 1 . 2]" 1
628 2 19 LYS QB 2 19 LYS QE . . 4.420 2.647 1.907 3.636 . 0 0 "[ . 1 . 2]" 1
629 2 19 LYS QB 2 24 ILE MD . . 3.710 3.090 2.310 3.872 0.162 11 0 "[ . 1 . 2]" 1
630 2 10 LYS QB 2 10 LYS QE . . 4.290 3.665 3.544 3.891 . 0 0 "[ . 1 . 2]" 1
631 2 10 LYS QB 2 13 VAL H . . 5.350 4.856 4.721 4.999 . 0 0 "[ . 1 . 2]" 1
632 2 2 VAL HB 2 3 VAL H . . 4.560 3.258 2.818 4.100 . 0 0 "[ . 1 . 2]" 1
633 2 3 VAL HB 2 4 GLU H . . 4.360 3.482 2.644 4.195 . 0 0 "[ . 1 . 2]" 1
634 2 59 TRP HH2 2 104 LYS HB2 . . 4.540 2.849 2.565 3.297 . 0 0 "[ . 1 . 2]" 1
635 2 104 LYS HB2 2 104 LYS QE . . 4.360 4.167 3.940 4.255 . 0 0 "[ . 1 . 2]" 1
636 2 104 LYS HB2 2 104 LYS QD . . 3.710 3.073 2.435 3.347 . 0 0 "[ . 1 . 2]" 1
637 2 104 LYS HB2 2 105 ALA H . . 4.280 2.890 2.783 3.085 . 0 0 "[ . 1 . 2]" 1
638 2 14 LYS QB 2 14 LYS QE . . 4.470 2.871 1.853 3.880 . 0 0 "[ . 1 . 2]" 1
639 2 13 VAL MG1 2 14 LYS QB . . 5.330 3.628 3.094 3.857 . 0 0 "[ . 1 . 2]" 1
640 2 25 LYS H 2 25 LYS HB2 . . 3.740 2.877 2.525 3.621 . 0 0 "[ . 1 . 2]" 1
641 2 25 LYS HB2 2 26 GLU H . . 4.190 4.020 3.887 4.100 . 0 0 "[ . 1 . 2]" 1
642 2 105 ALA HA 2 108 VAL HB . . 4.010 3.164 3.028 3.255 . 0 0 "[ . 1 . 2]" 1
643 2 23 LYS H 2 23 LYS HB3 . . 3.690 3.618 3.460 3.644 . 0 0 "[ . 1 . 2]" 1
644 2 50 VAL HB 2 52 ILE MG . . 4.600 4.390 4.319 4.477 . 0 0 "[ . 1 . 2]" 1
645 2 21 VAL HB 2 22 GLU H . . 4.040 3.701 2.971 4.215 0.175 4 0 "[ . 1 . 2]" 1
646 2 21 VAL H 2 21 VAL HB . . 3.620 2.671 2.261 3.597 . 0 0 "[ . 1 . 2]" 1
647 2 47 TYR HA 2 50 VAL HB . . 5.130 4.288 4.022 4.560 . 0 0 "[ . 1 . 2]" 1
648 2 58 ASP HA 2 61 VAL HB . . 5.210 5.253 5.209 5.304 0.094 16 0 "[ . 1 . 2]" 1
649 2 13 VAL HB 2 14 LYS H . . 4.710 4.014 3.981 4.051 . 0 0 "[ . 1 . 2]" 1
650 2 10 LYS H 2 13 VAL HB . . 5.500 5.553 5.472 5.603 0.103 7 0 "[ . 1 . 2]" 1
651 2 98 PHE H 2 99 VAL HB . . 5.500 4.837 4.682 5.101 . 0 0 "[ . 1 . 2]" 1
652 2 99 VAL H 2 99 VAL HB . . 3.660 2.403 2.280 2.592 . 0 0 "[ . 1 . 2]" 1
653 2 46 THR HB 2 83 ASP H . . 5.500 4.956 4.230 5.564 0.064 3 0 "[ . 1 . 2]" 1
654 2 46 THR HB 2 47 TYR HE2 . . 5.500 5.267 4.028 5.715 0.215 6 0 "[ . 1 . 2]" 1
655 2 46 THR HB 2 47 TYR HA . . 4.650 4.693 4.539 4.785 0.135 14 0 "[ . 1 . 2]" 1
656 2 60 HIS QB 2 61 VAL MG1 . . 3.840 3.015 2.953 3.092 . 0 0 "[ . 1 . 2]" 1
657 2 107 SER HA 2 110 LYS HB2 . . 4.950 4.022 3.635 4.237 . 0 0 "[ . 1 . 2]" 1
658 2 106 TRP QB 2 109 VAL HB . . 4.830 4.214 4.064 4.339 . 0 0 "[ . 1 . 2]" 1
659 2 104 LYS HA 2 106 TRP QB . . 5.390 5.261 5.138 5.401 0.011 18 0 "[ . 1 . 2]" 1
660 2 71 THR MG 2 106 TRP QB . . 5.270 3.961 3.450 4.243 . 0 0 "[ . 1 . 2]" 1
661 2 12 LEU QD 2 106 TRP QB . . 4.510 2.148 2.049 2.372 . 0 0 "[ . 1 . 2]" 1
662 2 88 GLU H 2 88 GLU HB2 . . 3.860 2.345 2.171 2.472 . 0 0 "[ . 1 . 2]" 1
663 2 55 SER H 2 56 ARG QB . . 5.500 4.374 4.263 4.604 . 0 0 "[ . 1 . 2]" 1
664 2 94 THR HB 2 95 GLN H . . 4.540 3.855 2.774 4.279 . 0 0 "[ . 1 . 2]" 1
665 2 26 GLU QB 2 27 GLU H . . 4.510 2.871 2.757 3.656 . 0 0 "[ . 1 . 2]" 1
666 2 24 ILE HA 2 27 GLU HB2 . . 4.700 2.577 2.272 2.951 . 0 0 "[ . 1 . 2]" 1
667 2 24 ILE HA 2 27 GLU HB3 . . 4.700 4.195 3.907 4.583 . 0 0 "[ . 1 . 2]" 1
668 2 39 GLU HA 2 43 GLU HB3 . . 4.930 4.168 3.612 5.005 0.075 20 0 "[ . 1 . 2]" 1
669 2 39 GLU HA 2 43 GLU HB2 . . 4.010 2.752 2.079 3.452 . 0 0 "[ . 1 . 2]" 1
670 2 43 GLU HB2 2 45 LYS H . . 5.500 2.806 2.554 3.084 . 0 0 "[ . 1 . 2]" 1
671 2 7 GLU QB 2 8 LEU HG . . 5.270 3.977 3.149 5.323 0.053 15 0 "[ . 1 . 2]" 1
672 2 4 GLU HA 2 7 GLU QB . . 3.660 2.656 2.238 2.942 . 0 0 "[ . 1 . 2]" 1
673 2 11 GLU H 2 11 GLU HB3 . . 3.380 2.579 2.476 2.681 . 0 0 "[ . 1 . 2]" 1
674 2 10 LYS H 2 11 GLU HB3 . . 5.400 4.893 4.738 5.016 . 0 0 "[ . 1 . 2]" 1
675 2 14 LYS H 2 14 LYS QD . . 4.350 3.971 3.653 4.621 0.271 7 0 "[ . 1 . 2]" 1
676 2 9 ARG QB 2 10 LYS H . . 4.280 2.604 2.471 2.704 . 0 0 "[ . 1 . 2]" 1
677 2 9 ARG QB 2 10 LYS QE . . 3.860 3.805 3.666 3.874 0.014 14 0 "[ . 1 . 2]" 1
678 2 7 GLU QB 2 9 ARG H . . 5.190 4.631 4.537 4.722 . 0 0 "[ . 1 . 2]" 1
679 2 45 LYS QD 2 46 THR H . . 4.750 4.351 3.666 4.861 0.111 17 0 "[ . 1 . 2]" 1
680 2 22 GLU QB 2 23 LYS H . . 3.990 3.251 2.716 3.724 . 0 0 "[ . 1 . 2]" 1
681 2 22 GLU QB 2 23 LYS HA . . 4.650 4.494 4.364 4.595 . 0 0 "[ . 1 . 2]" 1
682 2 56 ARG H 2 56 ARG QG . . 4.110 3.363 2.345 3.943 . 0 0 "[ . 1 . 2]" 1
683 2 28 ILE HG13 2 64 TYR QE . . 5.500 4.831 3.874 5.627 0.127 11 0 "[ . 1 . 2]" 1
684 2 31 LYS H 2 31 LYS QD . . 5.290 3.730 3.252 4.615 . 0 0 "[ . 1 . 2]" 1
685 2 31 LYS HA 2 31 LYS QD . . 4.450 3.139 2.017 4.273 . 0 0 "[ . 1 . 2]" 1
686 2 28 ILE HA 2 28 ILE HG13 . . 3.880 2.727 2.622 2.826 . 0 0 "[ . 1 . 2]" 1
687 2 41 ILE HG13 2 42 CYS H . . 5.230 4.555 4.152 5.283 0.053 19 0 "[ . 1 . 2]" 1
688 2 41 ILE HA 2 41 ILE HG13 . . 3.980 3.222 2.809 3.805 . 0 0 "[ . 1 . 2]" 1
689 2 37 ILE MG 2 41 ILE HG13 . . 4.700 2.851 1.978 3.935 . 0 0 "[ . 1 . 2]" 1
690 2 41 ILE H 2 41 ILE HG12 . . 4.030 3.405 2.204 4.035 0.005 6 0 "[ . 1 . 2]" 1
691 2 41 ILE HG12 2 42 CYS H . . 5.230 4.866 4.160 5.165 . 0 0 "[ . 1 . 2]" 1
692 2 37 ILE MG 2 41 ILE HG12 . . 4.700 3.891 2.288 4.718 0.018 6 0 "[ . 1 . 2]" 1
693 2 28 ILE HG12 2 68 HIS HB2 . . 5.170 3.630 3.064 4.382 . 0 0 "[ . 1 . 2]" 1
694 2 28 ILE HG12 2 64 TYR QE . . 5.300 3.331 2.255 4.542 . 0 0 "[ . 1 . 2]" 1
695 2 28 ILE HA 2 28 ILE HG12 . . 3.800 2.427 2.352 2.500 . 0 0 "[ . 1 . 2]" 1
696 2 28 ILE H 2 28 ILE HG12 . . 4.090 3.963 3.872 4.049 . 0 0 "[ . 1 . 2]" 1
697 2 28 ILE HG12 2 28 ILE MG . . 3.750 2.355 2.315 2.382 . 0 0 "[ . 1 . 2]" 1
698 2 21 VAL HA 2 24 ILE HB . . 3.190 2.396 2.134 2.938 . 0 0 "[ . 1 . 2]" 1
699 2 21 VAL HA 2 24 ILE HG12 . . 4.400 4.350 3.357 4.582 0.182 6 0 "[ . 1 . 2]" 1
700 2 21 VAL HA 2 21 VAL MG1 . . 3.350 2.693 2.118 3.218 . 0 0 "[ . 1 . 2]" 1
701 2 21 VAL HA 2 24 ILE MD . . 2.800 2.333 2.179 2.547 . 0 0 "[ . 1 . 2]" 1
702 2 61 VAL HA 2 61 VAL MG1 . . 3.150 2.407 2.378 2.419 . 0 0 "[ . 1 . 2]" 1
703 2 21 VAL HA 2 24 ILE HG13 . . 4.400 3.264 2.915 4.572 0.172 5 0 "[ . 1 . 2]" 1
704 2 59 TRP HA 2 62 ILE HA . . 5.500 5.447 5.291 5.525 0.025 15 0 "[ . 1 . 2]" 1
705 2 61 VAL HA 2 62 ILE HA . . 4.950 4.774 4.761 4.789 . 0 0 "[ . 1 . 2]" 1
706 2 40 ILE HG12 2 47 TYR HD1 . . 5.100 4.979 4.457 5.241 0.141 3 0 "[ . 1 . 2]" 1
707 2 40 ILE HG13 2 47 TYR HD1 . . 5.100 3.586 2.905 5.243 0.143 9 0 "[ . 1 . 2]" 1
708 2 23 LYS H 2 23 LYS HD2 . . 4.630 4.298 3.097 4.684 0.054 8 0 "[ . 1 . 2]" 1
709 2 23 LYS H 2 23 LYS HD3 . . 4.630 3.800 2.705 4.789 0.159 18 0 "[ . 1 . 2]" 1
710 2 62 ILE H 2 65 LEU HG . . 5.500 5.467 5.296 5.539 0.039 10 0 "[ . 1 . 2]" 1
711 2 65 LEU H 2 65 LEU HG . . 4.050 2.448 2.349 2.503 . 0 0 "[ . 1 . 2]" 1
712 2 37 ILE MD 2 65 LEU HG . . 4.650 4.198 2.757 4.726 0.076 20 0 "[ . 1 . 2]" 1
713 2 11 GLU HA 2 15 ARG QG . . 5.450 4.292 3.819 4.872 . 0 0 "[ . 1 . 2]" 1
714 2 12 LEU QD 2 15 ARG QG . . 5.130 3.682 3.466 4.055 . 0 0 "[ . 1 . 2]" 1
715 2 79 LEU H 2 79 LEU HG . . 4.500 4.046 2.581 4.452 . 0 0 "[ . 1 . 2]" 1
716 2 9 ARG QG 2 10 LYS QG . . 3.750 3.429 2.932 3.846 0.096 9 0 "[ . 1 . 2]" 1
717 2 76 ILE HA 2 79 LEU H . . 4.250 3.806 3.539 4.282 0.032 7 0 "[ . 1 . 2]" 1
718 2 76 ILE HA 2 78 GLU H . . 4.980 4.508 4.318 4.626 . 0 0 "[ . 1 . 2]" 1
719 2 76 ILE HA 2 76 ILE HG13 . . 3.660 2.663 2.208 3.130 . 0 0 "[ . 1 . 2]" 1
720 2 15 ARG QG 2 70 VAL HA . . 5.190 5.074 4.721 5.267 0.077 18 0 "[ . 1 . 2]" 1
721 2 15 ARG QG 2 106 TRP HZ3 . . 5.220 3.157 2.945 3.369 . 0 0 "[ . 1 . 2]" 1
722 2 8 LEU HG 2 11 GLU H . . 5.500 5.474 5.008 5.666 0.166 7 0 "[ . 1 . 2]" 1
723 2 9 ARG QG 2 11 GLU H . . 5.500 5.124 5.025 5.291 . 0 0 "[ . 1 . 2]" 1
724 2 63 LEU H 2 63 LEU HG . . 4.640 2.717 2.639 2.831 . 0 0 "[ . 1 . 2]" 1
725 2 113 LEU H 2 113 LEU HG . . 4.070 2.816 2.596 4.276 0.206 5 0 "[ . 1 . 2]" 1
726 2 113 LEU HA 2 113 LEU HG . . 4.240 2.897 2.789 3.224 . 0 0 "[ . 1 . 2]" 1
727 2 110 LYS HA 2 113 LEU HG . . 4.370 3.790 3.504 4.434 0.064 3 0 "[ . 1 . 2]" 1
728 2 74 ASP HA 2 77 LEU HG . . 5.500 5.441 5.287 5.623 0.123 7 0 "[ . 1 . 2]" 1
729 2 108 VAL HA 2 110 LYS H . . 5.230 4.507 4.395 4.569 . 0 0 "[ . 1 . 2]" 1
730 2 108 VAL HA 2 112 TYR HD2 . . 5.500 4.084 3.859 4.254 . 0 0 "[ . 1 . 2]" 1
731 2 108 VAL HA 2 111 LYS QG . . 4.480 3.982 2.235 4.493 0.013 7 0 "[ . 1 . 2]" 1
732 2 108 VAL HA 2 111 LYS HB3 . . 4.820 2.880 2.556 4.318 . 0 0 "[ . 1 . 2]" 1
733 2 109 VAL HA 2 113 LEU H . . 5.140 4.384 4.269 4.551 . 0 0 "[ . 1 . 2]" 1
734 2 109 VAL HA 2 110 LYS HA . . 4.840 4.783 4.762 4.812 . 0 0 "[ . 1 . 2]" 1
735 2 109 VAL HA 2 112 TYR HB2 . . 4.670 2.739 2.426 2.899 . 0 0 "[ . 1 . 2]" 1
736 2 25 LYS HA 2 25 LYS HG2 . . 4.220 3.469 3.166 4.218 . 0 0 "[ . 1 . 2]" 1
737 2 108 VAL HA 2 112 TYR HB2 . . 5.410 5.474 5.402 5.516 0.106 19 0 "[ . 1 . 2]" 1
738 2 100 ILE HA 2 102 LEU H . . 5.490 4.467 4.358 4.572 . 0 0 "[ . 1 . 2]" 1
739 2 100 ILE HA 2 103 SER HA . . 5.420 5.485 5.437 5.531 0.111 17 0 "[ . 1 . 2]" 1
740 2 100 ILE HA 2 104 LYS HB2 . . 5.430 4.979 4.643 5.196 . 0 0 "[ . 1 . 2]" 1
741 2 67 LYS HA 2 109 VAL HA . . 4.470 4.206 3.727 4.590 0.120 15 0 "[ . 1 . 2]" 1
742 2 101 THR HB 2 102 LEU HG . . 5.270 4.371 4.115 4.539 . 0 0 "[ . 1 . 2]" 1
743 2 12 LEU H 2 12 LEU HG . . 4.320 2.725 2.310 4.024 . 0 0 "[ . 1 . 2]" 1
744 2 94 THR HA 2 97 TYR QD . . 4.900 3.605 3.286 4.327 . 0 0 "[ . 1 . 2]" 1
745 2 94 THR HA 2 97 TYR H . . 5.170 3.364 3.120 3.686 . 0 0 "[ . 1 . 2]" 1
746 2 94 THR HA 2 97 TYR HB3 . . 4.090 2.716 2.319 3.381 . 0 0 "[ . 1 . 2]" 1
747 2 94 THR HA 2 94 THR MG . . 3.340 2.399 2.150 2.501 . 0 0 "[ . 1 . 2]" 1
748 2 59 TRP HZ3 2 104 LYS QG . . 4.990 4.152 3.974 4.555 . 0 0 "[ . 1 . 2]" 1
749 2 7 GLU HA 2 10 LYS QG . . 4.590 3.766 3.416 4.420 . 0 0 "[ . 1 . 2]" 1
750 2 12 LEU HA 2 12 LEU HG . . 3.680 2.778 2.294 2.978 . 0 0 "[ . 1 . 2]" 1
751 2 17 SER HB2 2 24 ILE MD . . 5.500 4.412 3.165 5.505 0.005 7 0 "[ . 1 . 2]" 1
752 2 17 SER HB2 2 19 LYS QE . . 4.770 3.557 2.040 4.755 . 0 0 "[ . 1 . 2]" 1
753 2 17 SER HB3 2 19 LYS QE . . 4.770 3.425 2.167 4.729 . 0 0 "[ . 1 . 2]" 1
754 2 17 SER HB3 2 24 ILE MD . . 5.500 4.014 2.802 5.386 . 0 0 "[ . 1 . 2]" 1
755 2 2 VAL HA 2 6 GLU QG . . 4.200 4.252 4.132 4.322 0.122 5 0 "[ . 1 . 2]" 1
756 2 2 VAL HA 2 2 VAL QG . . 2.970 2.143 2.100 2.223 . 0 0 "[ . 1 . 2]" 1
757 2 3 VAL HA 2 4 GLU HA . . 4.900 4.748 4.666 4.783 . 0 0 "[ . 1 . 2]" 1
758 2 23 LYS H 2 23 LYS HG2 . . 4.490 2.590 2.227 4.101 . 0 0 "[ . 1 . 2]" 1
759 2 111 LYS H 2 111 LYS QG . . 4.150 3.670 2.054 3.991 . 0 0 "[ . 1 . 2]" 1
760 2 111 LYS QG 2 112 TYR HD2 . . 4.560 4.121 2.786 4.576 0.016 1 0 "[ . 1 . 2]" 1
761 2 111 LYS QG 2 112 TYR HB2 . . 4.870 4.751 3.753 4.988 0.118 1 0 "[ . 1 . 2]" 1
762 2 77 LEU MD1 2 98 PHE HZ . . 4.640 4.437 4.004 4.661 0.021 13 0 "[ . 1 . 2]" 1
763 2 77 LEU HA 2 77 LEU MD1 . . 3.180 2.023 1.978 2.075 . 0 0 "[ . 1 . 2]" 1
764 2 77 LEU MD1 2 86 ALA MB . . 3.110 3.024 2.663 3.201 0.091 7 0 "[ . 1 . 2]" 1
765 2 107 SER H 2 107 SER HB2 . . 3.500 2.560 2.406 2.591 . 0 0 "[ . 1 . 2]" 1
766 2 107 SER HB2 2 108 VAL H . . 4.160 3.879 2.764 4.052 . 0 0 "[ . 1 . 2]" 1
767 2 64 TYR HA 2 64 TYR QD . . 3.840 3.003 2.742 3.104 . 0 0 "[ . 1 . 2]" 1
768 2 64 TYR HA 2 67 LYS H . . 4.570 3.224 3.060 3.336 . 0 0 "[ . 1 . 2]" 1
769 2 110 LYS H 2 110 LYS HG2 . . 4.620 4.460 4.429 4.486 . 0 0 "[ . 1 . 2]" 1
770 2 110 LYS HG2 2 111 LYS H . . 5.110 4.026 3.835 4.162 . 0 0 "[ . 1 . 2]" 1
771 2 41 ILE HA 2 41 ILE HG12 . . 3.980 2.512 2.270 3.266 . 0 0 "[ . 1 . 2]" 1
772 2 41 ILE HA 2 41 ILE MG . . 2.970 2.407 2.291 2.543 . 0 0 "[ . 1 . 2]" 1
773 2 64 TYR HA 2 65 LEU HG . . 5.500 5.496 5.346 5.566 0.066 18 0 "[ . 1 . 2]" 1
774 2 55 SER HB3 2 56 ARG H . . 4.650 3.539 2.523 3.996 . 0 0 "[ . 1 . 2]" 1
775 2 55 SER H 2 55 SER HB3 . . 4.180 2.817 2.345 3.579 . 0 0 "[ . 1 . 2]" 1
776 2 107 SER HA 2 110 LYS QD . . 4.150 3.985 3.733 4.212 0.062 7 0 "[ . 1 . 2]" 1
777 2 86 ALA H 2 94 THR MG . . 4.950 4.854 4.216 5.109 0.159 12 0 "[ . 1 . 2]" 1
778 2 94 THR MG 2 95 GLN H . . 4.650 3.899 3.814 4.083 . 0 0 "[ . 1 . 2]" 1
779 2 88 GLU H 2 94 THR MG . . 3.680 2.974 2.406 3.670 . 0 0 "[ . 1 . 2]" 1
780 2 94 THR MG 2 97 TYR HB3 . . 4.600 4.371 3.679 4.651 0.051 1 0 "[ . 1 . 2]" 1
781 2 40 ILE HA 2 46 THR MG . . 5.140 4.373 3.994 5.010 . 0 0 "[ . 1 . 2]" 1
782 2 40 ILE MG 2 46 THR MG . . 2.970 2.904 2.502 3.092 0.122 10 0 "[ . 1 . 2]" 1
783 2 21 VAL H 2 21 VAL MG1 . . 3.660 2.857 1.860 3.729 0.069 14 0 "[ . 1 . 2]" 1
784 2 21 VAL MG1 2 75 LYS HA . . 4.220 3.429 2.088 4.208 . 0 0 "[ . 1 . 2]" 1
785 2 97 TYR HA 2 97 TYR QD . . 3.950 2.653 2.474 2.853 . 0 0 "[ . 1 . 2]" 1
786 2 97 TYR HA 2 100 ILE HB . . 4.220 2.411 2.267 2.652 . 0 0 "[ . 1 . 2]" 1
787 2 97 TYR HA 2 101 THR MG . . 4.780 4.126 3.937 4.263 . 0 0 "[ . 1 . 2]" 1
788 2 46 THR MG 2 47 TYR H . . 3.970 2.137 1.649 3.286 . 0 0 "[ . 1 . 2]" 1
789 2 46 THR MG 2 82 ARG H . . 3.320 2.662 1.777 3.119 . 0 0 "[ . 1 . 2]" 1
790 2 46 THR HA 2 46 THR MG . . 3.230 2.142 2.103 2.221 . 0 0 "[ . 1 . 2]" 1
791 2 40 ILE MD 2 46 THR MG . . 5.100 3.547 3.189 4.123 . 0 0 "[ . 1 . 2]" 1
792 2 25 LYS HA 2 27 GLU H . . 4.590 4.325 4.028 4.516 . 0 0 "[ . 1 . 2]" 1
793 2 25 LYS HA 2 25 LYS HG3 . . 4.220 2.936 2.510 3.758 . 0 0 "[ . 1 . 2]" 1
794 2 24 ILE MG 2 25 LYS HA . . 3.720 3.488 3.085 3.737 0.017 1 0 "[ . 1 . 2]" 1
795 2 25 LYS HA 2 65 LEU MD2 . . 3.880 3.836 3.561 3.987 0.107 15 0 "[ . 1 . 2]" 1
796 2 70 VAL H 2 71 THR MG . . 4.280 3.391 3.150 4.294 0.014 11 0 "[ . 1 . 2]" 1
797 2 71 THR H 2 71 THR MG . . 3.690 2.718 2.544 2.780 . 0 0 "[ . 1 . 2]" 1
798 2 71 THR MG 2 72 ASP H . . 4.490 4.131 3.932 4.257 . 0 0 "[ . 1 . 2]" 1
799 2 71 THR MG 2 109 VAL HB . . 4.010 3.868 3.564 4.078 0.068 5 0 "[ . 1 . 2]" 1
800 2 50 VAL HA 2 52 ILE H . . 5.500 4.785 4.643 4.904 . 0 0 "[ . 1 . 2]" 1
801 2 28 ILE H 2 30 THR MG . . 5.060 4.190 3.911 4.888 . 0 0 "[ . 1 . 2]" 1
802 2 30 THR MG 2 31 LYS H . . 4.530 2.808 2.598 2.984 . 0 0 "[ . 1 . 2]" 1
803 2 27 GLU HA 2 30 THR MG . . 4.060 2.640 2.376 3.351 . 0 0 "[ . 1 . 2]" 1
804 2 29 CYS QB 2 30 THR MG . . 4.450 4.463 4.223 4.528 0.078 3 0 "[ . 1 . 2]" 1
805 2 59 TRP HA 2 101 THR MG . . 4.790 3.752 3.506 4.022 . 0 0 "[ . 1 . 2]" 1
806 2 59 TRP HA 2 62 ILE H . . 3.770 3.467 3.337 3.517 . 0 0 "[ . 1 . 2]" 1
807 2 59 TRP HA 2 60 HIS H . . 3.550 3.570 3.557 3.578 0.028 2 0 "[ . 1 . 2]" 1
808 2 58 ASP HA 2 59 TRP HA . . 4.960 4.748 4.723 4.783 . 0 0 "[ . 1 . 2]" 1
809 2 22 GLU HA 2 23 LYS HA . . 4.780 4.696 4.666 4.741 . 0 0 "[ . 1 . 2]" 1
810 2 101 THR MG 2 102 LEU H . . 4.320 3.966 3.909 4.013 . 0 0 "[ . 1 . 2]" 1
811 2 100 ILE HA 2 101 THR MG . . 5.500 5.019 4.972 5.077 . 0 0 "[ . 1 . 2]" 1
812 2 101 THR MG 2 102 LEU HA . . 5.500 5.453 5.418 5.472 . 0 0 "[ . 1 . 2]" 1
813 2 97 TYR HB3 2 101 THR MG . . 4.950 4.940 4.872 4.992 0.042 3 0 "[ . 1 . 2]" 1
814 2 62 ILE MD 2 101 THR MG . . 3.220 2.668 2.418 3.004 . 0 0 "[ . 1 . 2]" 1
815 2 21 VAL MG2 2 22 GLU H . . 4.260 3.767 2.541 4.188 . 0 0 "[ . 1 . 2]" 1
816 2 21 VAL MG2 2 75 LYS HA . . 4.220 2.914 1.928 4.359 0.139 2 0 "[ . 1 . 2]" 1
817 2 21 VAL HA 2 21 VAL MG2 . . 3.350 2.491 2.184 3.238 . 0 0 "[ . 1 . 2]" 1
818 2 22 GLU HA 2 22 GLU QG . . 3.490 3.008 2.435 3.338 . 0 0 "[ . 1 . 2]" 1
819 2 59 TRP HA 2 62 ILE HB . . 3.660 2.546 2.381 2.643 . 0 0 "[ . 1 . 2]" 1
820 2 46 THR HA 2 47 TYR HA . . 4.430 4.249 4.173 4.301 . 0 0 "[ . 1 . 2]" 1
821 2 40 ILE MD 2 46 THR HA . . 4.480 2.508 2.254 3.749 . 0 0 "[ . 1 . 2]" 1
822 2 56 ARG HA 2 56 ARG QD . . 4.740 3.570 2.377 4.135 . 0 0 "[ . 1 . 2]" 1
823 2 56 ARG HA 2 56 ARG QG . . 3.700 2.239 2.062 2.343 . 0 0 "[ . 1 . 2]" 1
824 2 104 LYS HA 2 107 SER H . . 4.490 3.273 3.186 3.337 . 0 0 "[ . 1 . 2]" 1
825 2 59 TRP HH2 2 104 LYS HA . . 4.640 3.939 3.844 4.010 . 0 0 "[ . 1 . 2]" 1
826 2 104 LYS HA 2 104 LYS QD . . 3.760 2.175 1.989 2.594 . 0 0 "[ . 1 . 2]" 1
827 2 104 LYS HA 2 104 LYS QG . . 3.680 2.770 2.316 2.984 . 0 0 "[ . 1 . 2]" 1
828 2 102 LEU H 2 103 SER HA . . 5.310 5.220 5.148 5.252 . 0 0 "[ . 1 . 2]" 1
829 2 26 GLU HA 2 28 ILE H . . 4.710 3.922 3.751 4.016 . 0 0 "[ . 1 . 2]" 1
830 2 26 GLU HA 2 29 CYS QB . . 4.290 2.736 2.157 3.129 . 0 0 "[ . 1 . 2]" 1
831 2 6 GLU HA 2 6 GLU QG . . 3.210 2.752 2.322 2.829 . 0 0 "[ . 1 . 2]" 1
832 2 10 LYS HA 2 11 GLU HA . . 4.820 4.713 4.662 4.762 . 0 0 "[ . 1 . 2]" 1
833 2 10 LYS HA 2 13 VAL HB . . 3.890 3.476 3.239 3.815 . 0 0 "[ . 1 . 2]" 1
834 2 10 LYS HA 2 10 LYS QG . . 3.440 2.719 2.328 2.977 . 0 0 "[ . 1 . 2]" 1
835 2 75 LYS HA 2 75 LYS HG2 . . 3.830 2.874 2.139 3.749 . 0 0 "[ . 1 . 2]" 1
836 2 75 LYS HA 2 75 LYS HG3 . . 3.830 3.458 2.799 3.846 0.016 10 0 "[ . 1 . 2]" 1
837 2 74 ASP HA 2 75 LYS HA . . 4.910 4.752 4.705 4.808 . 0 0 "[ . 1 . 2]" 1
838 2 25 LYS HA 2 26 GLU HA . . 4.870 4.722 4.673 4.752 . 0 0 "[ . 1 . 2]" 1
839 2 25 LYS QE 2 26 GLU HA . . 5.500 4.946 4.242 5.587 0.087 12 0 "[ . 1 . 2]" 1
840 2 75 LYS HA 2 75 LYS HE3 . . 5.500 4.705 4.094 5.773 0.273 2 0 "[ . 1 . 2]" 1
841 2 27 GLU HA 2 30 THR HB . . 5.030 4.286 4.059 4.767 . 0 0 "[ . 1 . 2]" 1
842 2 27 GLU HA 2 28 ILE HA . . 4.700 4.662 4.584 4.711 0.011 15 0 "[ . 1 . 2]" 1
843 2 6 GLU HA 2 9 ARG QB . . 3.430 2.283 2.142 2.481 . 0 0 "[ . 1 . 2]" 1
844 2 2 VAL QG 2 6 GLU HA . . 5.470 5.161 4.951 5.311 . 0 0 "[ . 1 . 2]" 1
845 2 96 LYS HA 2 96 LYS QG . . 3.700 2.562 2.300 3.062 . 0 0 "[ . 1 . 2]" 1
846 2 96 LYS HA 2 99 VAL QG . . 3.590 3.050 2.265 3.612 0.022 4 0 "[ . 1 . 2]" 1
847 2 110 LYS HA 2 112 TYR H . . 4.700 4.116 3.962 4.353 . 0 0 "[ . 1 . 2]" 1
848 2 109 VAL MG1 2 110 LYS HA . . 3.450 3.318 3.237 3.412 . 0 0 "[ . 1 . 2]" 1
849 2 75 LYS HA 2 77 LEU H . . 5.500 4.289 4.031 4.499 . 0 0 "[ . 1 . 2]" 1
850 2 106 TRP HA 2 107 SER HA . . 5.180 4.795 4.783 4.807 . 0 0 "[ . 1 . 2]" 1
851 2 13 VAL MG1 2 14 LYS HA . . 3.970 3.336 3.268 3.400 . 0 0 "[ . 1 . 2]" 1
852 2 14 LYS HA 2 14 LYS QE . . 4.510 4.026 2.615 4.611 0.101 18 0 "[ . 1 . 2]" 1
853 2 7 GLU HA 2 7 GLU QG . . 3.630 2.743 2.321 3.005 . 0 0 "[ . 1 . 2]" 1
854 2 67 LYS HA 2 109 VAL MG1 . . 3.650 2.690 2.213 3.150 . 0 0 "[ . 1 . 2]" 1
855 2 62 ILE H 2 63 LEU HA . . 5.420 5.271 5.245 5.288 . 0 0 "[ . 1 . 2]" 1
856 2 63 LEU HA 2 63 LEU HG . . 3.870 2.810 2.758 2.861 . 0 0 "[ . 1 . 2]" 1
857 2 62 ILE MG 2 63 LEU HA . . 4.180 3.284 3.135 3.350 . 0 0 "[ . 1 . 2]" 1
858 2 106 TRP HA 2 109 VAL H . . 4.280 3.029 2.951 3.107 . 0 0 "[ . 1 . 2]" 1
859 2 106 TRP HA 2 109 VAL HB . . 3.680 2.261 2.116 2.365 . 0 0 "[ . 1 . 2]" 1
860 2 106 TRP HA 2 109 VAL MG2 . . 3.770 3.312 3.108 3.413 . 0 0 "[ . 1 . 2]" 1
861 2 71 THR MG 2 106 TRP HA . . 4.090 4.024 3.778 4.142 0.052 10 0 "[ . 1 . 2]" 1
862 2 12 LEU QD 2 106 TRP HA . . 4.740 4.027 3.867 4.222 . 0 0 "[ . 1 . 2]" 1
863 2 84 SER QB 2 86 ALA MB . . 5.410 3.533 2.956 4.170 . 0 0 "[ . 1 . 2]" 1
864 2 28 ILE HA 2 29 CYS HA . . 4.930 4.763 4.703 4.876 . 0 0 "[ . 1 . 2]" 1
865 2 95 GLN HA 2 97 TYR HB3 . . 5.500 5.374 5.260 5.532 0.032 19 0 "[ . 1 . 2]" 1
866 2 28 ILE MG 2 29 CYS HA . . 3.920 3.220 3.075 3.535 . 0 0 "[ . 1 . 2]" 1
867 2 77 LEU HA 2 78 GLU HA . . 4.850 4.699 4.669 4.763 . 0 0 "[ . 1 . 2]" 1
868 2 111 LYS HA 2 111 LYS QG . . 3.490 2.780 2.473 3.351 . 0 0 "[ . 1 . 2]" 1
869 2 110 LYS HG2 2 111 LYS HA . . 5.340 3.977 3.682 4.197 . 0 0 "[ . 1 . 2]" 1
870 2 82 ARG HA 2 84 SER H . . 4.920 4.411 4.132 4.884 . 0 0 "[ . 1 . 2]" 1
871 2 77 LEU HA 2 79 LEU H . . 4.710 3.813 3.572 4.092 . 0 0 "[ . 1 . 2]" 1
872 2 77 LEU HA 2 80 LEU H . . 4.320 4.194 3.761 4.393 0.073 6 0 "[ . 1 . 2]" 1
873 2 102 LEU HA 2 102 LEU HG . . 3.910 2.887 2.773 2.990 . 0 0 "[ . 1 . 2]" 1
874 2 102 LEU HA 2 105 ALA MB . . 3.220 2.916 2.456 3.161 . 0 0 "[ . 1 . 2]" 1
875 2 62 ILE MG 2 102 LEU HA . . 5.040 3.695 3.129 4.147 . 0 0 "[ . 1 . 2]" 1
876 2 85 LYS H 2 86 ALA MB . . 4.780 4.184 4.085 4.256 . 0 0 "[ . 1 . 2]" 1
877 2 86 ALA MB 2 97 TYR QE . . 3.680 2.791 2.297 3.169 . 0 0 "[ . 1 . 2]" 1
878 2 86 ALA MB 2 98 PHE HA . . 4.730 3.328 2.930 3.791 . 0 0 "[ . 1 . 2]" 1
879 2 86 ALA MB 2 97 TYR HB3 . . 4.520 4.568 4.414 4.630 0.110 14 0 "[ . 1 . 2]" 1
880 2 77 LEU HB2 2 86 ALA MB . . 4.730 4.756 4.546 4.810 0.080 3 0 "[ . 1 . 2]" 1
881 2 76 ILE MG 2 86 ALA MB . . 4.800 3.816 3.187 4.329 . 0 0 "[ . 1 . 2]" 1
882 2 4 GLU HA 2 7 GLU H . . 5.030 3.306 3.085 3.419 . 0 0 "[ . 1 . 2]" 1
883 2 4 GLU HA 2 4 GLU QG . . 3.340 2.446 2.256 3.334 . 0 0 "[ . 1 . 2]" 1
884 2 3 VAL QG 2 4 GLU HA . . 4.390 3.366 3.096 3.658 . 0 0 "[ . 1 . 2]" 1
885 2 88 GLU HA 2 88 GLU QG . . 3.680 2.775 2.552 2.947 . 0 0 "[ . 1 . 2]" 1
886 2 8 LEU HA 2 11 GLU HB3 . . 3.800 2.518 2.351 2.853 . 0 0 "[ . 1 . 2]" 1
887 2 8 LEU HA 2 8 LEU HG . . 4.020 2.693 2.291 3.692 . 0 0 "[ . 1 . 2]" 1
888 2 8 LEU HA 2 8 LEU QD . . 3.240 2.211 2.004 3.350 0.110 6 0 "[ . 1 . 2]" 1
889 2 12 LEU HA 2 15 ARG HB2 . . 4.540 2.615 2.229 2.966 . 0 0 "[ . 1 . 2]" 1
890 2 11 GLU HA 2 12 LEU HA . . 4.920 4.770 4.736 4.794 . 0 0 "[ . 1 . 2]" 1
891 2 12 LEU HA 2 15 ARG HB3 . . 4.540 4.162 3.635 4.582 0.042 4 0 "[ . 1 . 2]" 1
892 2 12 LEU HA 2 12 LEU QD . . 3.230 2.100 1.996 2.498 . 0 0 "[ . 1 . 2]" 1
893 2 46 THR H 2 49 ASP HA . . 5.030 4.927 4.612 5.038 0.008 14 0 "[ . 1 . 2]" 1
894 2 47 TYR H 2 48 ALA MB . . 4.460 4.313 4.242 4.398 . 0 0 "[ . 1 . 2]" 1
895 2 48 ALA MB 2 50 VAL H . . 4.860 4.571 4.506 4.780 . 0 0 "[ . 1 . 2]" 1
896 2 46 THR HB 2 48 ALA MB . . 4.270 3.410 3.034 3.804 . 0 0 "[ . 1 . 2]" 1
897 2 47 TYR HA 2 48 ALA MB . . 5.120 5.002 4.982 5.043 . 0 0 "[ . 1 . 2]" 1
898 2 48 ALA MB 2 49 ASP HA . . 4.100 3.973 3.936 4.005 . 0 0 "[ . 1 . 2]" 1
899 2 24 ILE MG 2 27 GLU H . . 4.800 4.519 4.243 4.734 . 0 0 "[ . 1 . 2]" 1
900 2 24 ILE MG 2 28 ILE H . . 5.040 4.281 4.006 4.482 . 0 0 "[ . 1 . 2]" 1
901 2 24 ILE H 2 24 ILE MG . . 3.930 3.726 3.649 3.751 . 0 0 "[ . 1 . 2]" 1
902 2 24 ILE HA 2 24 ILE MG . . 3.150 2.470 2.412 2.613 . 0 0 "[ . 1 . 2]" 1
903 2 105 ALA H 2 105 ALA MB . . 2.970 2.233 2.220 2.249 . 0 0 "[ . 1 . 2]" 1
904 2 102 LEU H 2 105 ALA MB . . 4.890 4.659 4.536 4.751 . 0 0 "[ . 1 . 2]" 1
905 2 63 LEU H 2 105 ALA MB . . 5.360 4.225 3.988 4.511 . 0 0 "[ . 1 . 2]" 1
906 2 105 ALA MB 2 109 VAL H . . 5.500 4.602 4.460 4.734 . 0 0 "[ . 1 . 2]" 1
907 2 105 ALA MB 2 106 TRP HE3 . . 5.500 5.239 5.117 5.363 . 0 0 "[ . 1 . 2]" 1
908 2 105 ALA MB 2 107 SER H . . 5.500 4.435 4.368 4.478 . 0 0 "[ . 1 . 2]" 1
909 2 59 TRP HZ3 2 105 ALA MB . . 3.720 2.609 2.485 2.720 . 0 0 "[ . 1 . 2]" 1
910 2 71 THR MG 2 105 ALA MB . . 4.990 5.036 4.999 5.110 0.120 10 0 "[ . 1 . 2]" 1
911 2 76 ILE MG 2 77 LEU H . . 4.130 3.426 3.308 3.621 . 0 0 "[ . 1 . 2]" 1
912 2 76 ILE H 2 76 ILE MG . . 4.530 3.713 3.676 3.753 . 0 0 "[ . 1 . 2]" 1
913 2 76 ILE MG 2 98 PHE HZ . . 5.130 4.317 3.823 4.848 . 0 0 "[ . 1 . 2]" 1
914 2 76 ILE MG 2 98 PHE HD2 . . 3.610 3.453 3.047 3.672 0.062 17 0 "[ . 1 . 2]" 1
915 2 76 ILE MG 2 98 PHE HA . . 5.080 4.898 4.130 5.213 0.133 19 0 "[ . 1 . 2]" 1
916 2 76 ILE MG 2 77 LEU HA . . 4.290 3.370 3.267 3.485 . 0 0 "[ . 1 . 2]" 1
917 2 40 ILE MG 2 41 ILE H . . 3.980 3.723 3.544 4.024 0.044 18 0 "[ . 1 . 2]" 1
918 2 40 ILE MG 2 47 TYR HD1 . . 4.210 3.497 3.118 3.693 . 0 0 "[ . 1 . 2]" 1
919 2 40 ILE MG 2 46 THR HA . . 3.950 2.384 2.211 2.533 . 0 0 "[ . 1 . 2]" 1
920 2 40 ILE HA 2 40 ILE MG . . 3.330 2.336 2.262 2.438 . 0 0 "[ . 1 . 2]" 1
921 2 40 ILE MG 2 47 TYR HB3 . . 5.030 5.044 4.702 5.141 0.111 18 0 "[ . 1 . 2]" 1
922 2 40 ILE MD 2 40 ILE MG . . 3.180 1.986 1.957 2.020 . 0 0 "[ . 1 . 2]" 1
923 2 40 ILE MG 2 47 TYR HA . . 4.320 4.120 3.768 4.334 0.014 18 0 "[ . 1 . 2]" 1
924 2 41 ILE MG 2 42 CYS HA . . 4.780 3.361 3.030 3.973 . 0 0 "[ . 1 . 2]" 1
925 2 62 ILE MG 2 101 THR HB . . 4.880 2.529 2.311 2.974 . 0 0 "[ . 1 . 2]" 1
926 2 62 ILE HA 2 62 ILE MG . . 3.440 2.560 2.544 2.605 . 0 0 "[ . 1 . 2]" 1
927 2 62 ILE H 2 62 ILE MG . . 3.770 3.704 3.682 3.717 . 0 0 "[ . 1 . 2]" 1
928 2 62 ILE MG 2 105 ALA H . . 4.920 4.304 4.183 4.416 . 0 0 "[ . 1 . 2]" 1
929 2 62 ILE MG 2 63 LEU H . . 4.080 3.286 3.170 3.337 . 0 0 "[ . 1 . 2]" 1
930 2 62 ILE MG 2 105 ALA MB . . 2.910 2.131 2.007 2.247 . 0 0 "[ . 1 . 2]" 1
931 2 41 ILE H 2 41 ILE MG . . 3.930 3.783 3.715 3.847 . 0 0 "[ . 1 . 2]" 1
932 2 29 CYS H 2 41 ILE MG . . 5.500 4.703 3.494 5.278 . 0 0 "[ . 1 . 2]" 1
933 2 41 ILE MG 2 42 CYS H . . 3.970 3.471 3.149 3.924 . 0 0 "[ . 1 . 2]" 1
934 2 29 CYS HA 2 41 ILE MG . . 5.480 4.903 3.697 5.533 0.053 8 0 "[ . 1 . 2]" 1
935 2 25 LYS QE 2 41 ILE MG . . 4.060 2.609 1.909 3.673 . 0 0 "[ . 1 . 2]" 1
936 2 37 ILE MG 2 41 ILE MG . . 3.510 3.450 3.182 3.598 0.088 20 0 "[ . 1 . 2]" 1
937 2 37 ILE H 2 37 ILE MG . . 3.990 3.730 3.606 3.762 . 0 0 "[ . 1 . 2]" 1
938 2 37 ILE MG 2 42 CYS H . . 4.960 4.490 3.775 4.986 0.026 3 0 "[ . 1 . 2]" 1
939 2 37 ILE MG 2 64 TYR QD . . 4.440 2.988 2.293 3.389 . 0 0 "[ . 1 . 2]" 1
940 2 37 ILE MG 2 64 TYR QE . . 4.100 3.148 2.295 3.845 . 0 0 "[ . 1 . 2]" 1
941 2 37 ILE HA 2 37 ILE MG . . 3.500 2.421 2.338 2.641 . 0 0 "[ . 1 . 2]" 1
942 2 37 ILE MG 2 41 ILE HB . . 3.840 2.825 2.307 3.065 . 0 0 "[ . 1 . 2]" 1
943 2 16 ASP HA 2 71 THR H . . 3.870 3.213 3.041 3.363 . 0 0 "[ . 1 . 2]" 1
944 2 28 ILE MG 2 64 TYR QD . . 4.450 3.042 2.491 3.715 . 0 0 "[ . 1 . 2]" 1
945 2 28 ILE MG 2 64 TYR QE . . 3.610 2.012 1.921 2.175 . 0 0 "[ . 1 . 2]" 1
946 2 28 ILE HA 2 28 ILE MG . . 3.240 2.532 2.476 2.609 . 0 0 "[ . 1 . 2]" 1
947 2 28 ILE MG 2 68 HIS HB2 . . 4.770 4.596 3.963 4.900 0.130 15 0 "[ . 1 . 2]" 1
948 2 40 ILE MD 2 52 ILE MG . . 3.370 3.379 3.090 3.447 0.077 17 0 "[ . 1 . 2]" 1
949 2 78 GLU HA 2 79 LEU HA . . 5.000 4.779 4.697 4.841 . 0 0 "[ . 1 . 2]" 1
950 2 52 ILE MG 2 57 GLY H . . 4.380 3.570 3.020 3.835 . 0 0 "[ . 1 . 2]" 1
951 2 52 ILE MG 2 53 ASP H . . 4.530 3.608 3.480 3.700 . 0 0 "[ . 1 . 2]" 1
952 2 47 TYR HD1 2 52 ILE MG . . 3.390 2.290 2.066 2.783 . 0 0 "[ . 1 . 2]" 1
953 2 47 TYR HA 2 52 ILE MG . . 3.400 2.435 2.202 2.881 . 0 0 "[ . 1 . 2]" 1
954 2 47 TYR HB3 2 52 ILE MG . . 3.780 2.151 2.003 2.380 . 0 0 "[ . 1 . 2]" 1
955 2 87 LYS HA 2 87 LYS QG . . 3.310 2.695 2.226 3.338 0.028 13 0 "[ . 1 . 2]" 1
956 2 79 LEU HA 2 79 LEU HG . . 3.740 3.120 2.689 3.624 . 0 0 "[ . 1 . 2]" 1
957 2 59 TRP HH2 2 105 ALA HA . . 3.710 2.721 2.609 2.853 . 0 0 "[ . 1 . 2]" 1
958 2 105 ALA HA 2 109 VAL HB . . 5.480 5.482 5.293 5.556 0.076 15 0 "[ . 1 . 2]" 1
959 2 31 LYS HA 2 31 LYS HG2 . . 4.060 2.768 2.317 3.265 . 0 0 "[ . 1 . 2]" 1
960 2 31 LYS HA 2 31 LYS HG3 . . 4.060 3.357 2.858 3.808 . 0 0 "[ . 1 . 2]" 1
961 2 53 ASP HA 2 56 ARG QB . . 4.680 4.742 4.580 4.846 0.166 6 0 "[ . 1 . 2]" 1
962 2 15 ARG HA 2 15 ARG QG . . 3.540 2.549 2.214 2.845 . 0 0 "[ . 1 . 2]" 1
963 2 48 ALA HA 2 49 ASP HA . . 4.790 4.707 4.690 4.734 . 0 0 "[ . 1 . 2]" 1
964 2 48 ALA HA 2 52 ILE H . . 4.970 4.518 4.031 4.743 . 0 0 "[ . 1 . 2]" 1
965 2 24 ILE H 2 24 ILE MD . . 3.720 3.398 2.165 3.574 . 0 0 "[ . 1 . 2]" 1
966 2 19 LYS QE 2 24 ILE MD . . 5.300 4.578 3.228 5.355 0.055 6 0 "[ . 1 . 2]" 1
967 2 24 ILE HB 2 24 ILE MD . . 3.580 2.379 2.343 2.438 . 0 0 "[ . 1 . 2]" 1
968 2 21 VAL H 2 24 ILE MD . . 4.710 4.238 3.977 4.623 . 0 0 "[ . 1 . 2]" 1
969 2 86 ALA HA 2 97 TYR HB3 . . 4.580 4.169 3.791 4.506 . 0 0 "[ . 1 . 2]" 1
970 2 77 LEU MD1 2 86 ALA HA . . 5.500 4.958 4.700 5.256 . 0 0 "[ . 1 . 2]" 1
971 2 86 ALA HA 2 97 TYR QD . . 3.760 2.786 2.332 3.215 . 0 0 "[ . 1 . 2]" 1
972 2 86 ALA HA 2 97 TYR QE . . 4.440 4.020 3.520 4.427 . 0 0 "[ . 1 . 2]" 1
973 2 62 ILE MD 2 63 LEU H . . 4.740 4.759 4.695 4.788 0.048 18 0 "[ . 1 . 2]" 1
974 2 58 ASP HA 2 62 ILE MD . . 4.180 3.868 3.674 4.173 . 0 0 "[ . 1 . 2]" 1
975 2 59 TRP HA 2 62 ILE MD . . 4.600 2.872 2.634 2.999 . 0 0 "[ . 1 . 2]" 1
976 2 62 ILE MD 2 101 THR HB . . 4.890 2.233 2.112 2.398 . 0 0 "[ . 1 . 2]" 1
977 2 62 ILE HA 2 62 ILE MD . . 3.900 3.778 3.763 3.802 . 0 0 "[ . 1 . 2]" 1
978 2 62 ILE MD 2 65 LEU MD1 . . 5.500 4.869 4.437 5.138 . 0 0 "[ . 1 . 2]" 1
979 2 28 ILE H 2 28 ILE MD . . 3.890 3.691 3.480 3.893 0.003 16 0 "[ . 1 . 2]" 1
980 2 28 ILE MD 2 64 TYR QD . . 4.180 3.044 2.352 4.011 . 0 0 "[ . 1 . 2]" 1
981 2 28 ILE MD 2 64 TYR QE . . 3.620 3.186 2.289 3.658 0.038 9 0 "[ . 1 . 2]" 1
982 2 28 ILE HA 2 28 ILE MD . . 3.950 3.772 3.737 3.806 . 0 0 "[ . 1 . 2]" 1
983 2 25 LYS HA 2 28 ILE MD . . 3.810 3.150 2.155 3.754 . 0 0 "[ . 1 . 2]" 1
984 2 47 TYR HD1 2 52 ILE MD . . 4.560 3.639 3.258 4.400 . 0 0 "[ . 1 . 2]" 1
985 2 52 ILE MD 2 56 ARG QB . . 4.040 2.934 2.266 3.470 . 0 0 "[ . 1 . 2]" 1
986 2 52 ILE HB 2 52 ILE MD . . 3.380 2.310 2.282 2.346 . 0 0 "[ . 1 . 2]" 1
987 2 97 TYR QD 2 100 ILE MD . . 5.080 3.297 2.909 3.740 . 0 0 "[ . 1 . 2]" 1
988 2 100 ILE H 2 100 ILE MD . . 4.190 3.544 3.500 3.601 . 0 0 "[ . 1 . 2]" 1
989 2 97 TYR HA 2 100 ILE MD . . 3.860 2.250 2.113 2.538 . 0 0 "[ . 1 . 2]" 1
990 2 100 ILE HA 2 100 ILE MD . . 4.030 3.797 3.780 3.815 . 0 0 "[ . 1 . 2]" 1
991 2 100 ILE MD 2 101 THR H . . 5.320 4.670 4.626 4.711 . 0 0 "[ . 1 . 2]" 1
992 2 76 ILE MD 2 77 LEU H . . 4.680 4.516 3.901 4.749 0.069 14 0 "[ . 1 . 2]" 1
993 2 76 ILE H 2 76 ILE MD . . 4.080 3.060 1.832 3.672 . 0 0 "[ . 1 . 2]" 1
994 2 76 ILE MD 2 98 PHE HZ . . 5.170 4.594 3.717 4.971 . 0 0 "[ . 1 . 2]" 1
995 2 76 ILE HA 2 76 ILE MD . . 4.290 3.612 3.003 3.831 . 0 0 "[ . 1 . 2]" 1
996 2 41 ILE H 2 41 ILE MD . . 4.190 3.860 3.295 4.020 . 0 0 "[ . 1 . 2]" 1
997 2 41 ILE MD 2 64 TYR QD . . 5.250 4.210 2.999 5.310 0.060 19 0 "[ . 1 . 2]" 1
998 2 41 ILE MD 2 61 VAL HA . . 4.690 3.612 2.411 4.528 . 0 0 "[ . 1 . 2]" 1
999 2 37 ILE HA 2 41 ILE MD . . 4.920 3.707 3.259 4.175 . 0 0 "[ . 1 . 2]" 1
1000 2 41 ILE HB 2 41 ILE MD . . 3.490 2.634 2.404 3.262 . 0 0 "[ . 1 . 2]" 1
1001 2 37 ILE MD 2 41 ILE MD . . 3.650 3.042 2.576 3.489 . 0 0 "[ . 1 . 2]" 1
1002 2 37 ILE MG 2 41 ILE MD . . 3.490 2.353 1.907 3.569 0.079 4 0 "[ . 1 . 2]" 1
1003 2 40 ILE MD 2 47 TYR HA . . 3.740 2.434 2.156 2.658 . 0 0 "[ . 1 . 2]" 1
1004 2 40 ILE MD 2 50 VAL HA . . 5.200 5.175 5.011 5.278 0.078 20 0 "[ . 1 . 2]" 1
1005 2 40 ILE MD 2 47 TYR HB3 . . 5.030 4.128 3.550 4.406 . 0 0 "[ . 1 . 2]" 1
1006 2 40 ILE MD 2 47 TYR H . . 4.700 2.994 2.796 3.432 . 0 0 "[ . 1 . 2]" 1
1007 2 40 ILE H 2 40 ILE MD . . 4.100 3.563 3.318 3.830 . 0 0 "[ . 1 . 2]" 1
1008 2 40 ILE MD 2 47 TYR HD1 . . 3.780 3.135 2.233 3.467 . 0 0 "[ . 1 . 2]" 1
1009 2 40 ILE HA 2 40 ILE MD . . 3.860 2.231 1.994 3.779 . 0 0 "[ . 1 . 2]" 1
1010 2 37 ILE H 2 37 ILE MD . . 4.710 3.306 2.343 3.795 . 0 0 "[ . 1 . 2]" 1
1011 2 37 ILE MD 2 64 TYR QD . . 3.990 3.241 2.334 3.674 . 0 0 "[ . 1 . 2]" 1
1012 2 37 ILE MD 2 64 TYR QE . . 4.990 4.541 3.493 5.025 0.035 20 0 "[ . 1 . 2]" 1
1013 2 37 ILE MD 2 61 VAL HA . . 3.300 2.227 2.059 2.540 . 0 0 "[ . 1 . 2]" 1
1014 2 37 ILE HA 2 37 ILE MD . . 3.820 2.013 1.938 2.269 . 0 0 "[ . 1 . 2]" 1
1015 2 40 ILE MG 2 47 TYR HD2 . . 4.740 4.303 4.124 4.448 . 0 0 "[ . 1 . 2]" 1
1016 2 46 THR MG 2 47 TYR HD2 . . 3.690 2.795 2.233 3.763 0.073 18 0 "[ . 1 . 2]" 1
1017 2 5 PHE HA 2 5 PHE HD2 . . 3.400 2.741 2.399 3.101 . 0 0 "[ . 1 . 2]" 1
1018 2 5 PHE QB 2 5 PHE HD2 . . 2.990 2.537 2.425 2.714 . 0 0 "[ . 1 . 2]" 1
1019 2 5 PHE HE2 2 99 VAL HB . . 4.750 4.706 3.958 4.845 0.095 4 0 "[ . 1 . 2]" 1
1020 2 5 PHE HE2 2 99 VAL QG . . 3.500 2.196 2.074 2.303 . 0 0 "[ . 1 . 2]" 1
1021 2 86 ALA HA 2 98 PHE HD2 . . 4.570 4.643 4.427 4.733 0.163 14 0 "[ . 1 . 2]" 1
1022 2 98 PHE HA 2 98 PHE HD2 . . 3.260 2.824 2.567 3.045 . 0 0 "[ . 1 . 2]" 1
1023 2 86 ALA MB 2 98 PHE HD2 . . 3.620 2.367 2.199 2.571 . 0 0 "[ . 1 . 2]" 1
1024 2 77 LEU MD1 2 98 PHE HD2 . . 5.420 3.652 3.199 4.266 . 0 0 "[ . 1 . 2]" 1
1025 2 98 PHE HD2 2 102 LEU MD1 . . 5.500 4.319 3.738 4.790 . 0 0 "[ . 1 . 2]" 1
1026 2 98 PHE HD2 2 102 LEU MD2 . . 5.500 5.156 4.813 5.564 0.064 14 0 "[ . 1 . 2]" 1
1027 2 86 ALA MB 2 98 PHE HE2 . . 3.970 3.960 3.655 4.071 0.101 19 0 "[ . 1 . 2]" 1
1028 2 77 LEU HA 2 98 PHE HE2 . . 5.110 3.592 2.902 4.331 . 0 0 "[ . 1 . 2]" 1
1029 2 91 LYS QB 2 92 TRP HD1 . . 5.350 5.196 3.924 5.521 0.171 6 0 "[ . 1 . 2]" 1
1030 2 106 TRP QB 2 106 TRP HD1 . . 2.990 2.486 2.475 2.497 . 0 0 "[ . 1 . 2]" 1
1031 2 11 GLU HB3 2 106 TRP HD1 . . 4.570 4.644 4.552 4.714 0.144 4 0 "[ . 1 . 2]" 1
1032 2 106 TRP HD1 2 110 LYS QD . . 4.740 3.925 3.739 4.182 . 0 0 "[ . 1 . 2]" 1
1033 2 12 LEU QD 2 106 TRP HD1 . . 3.930 3.444 2.851 3.897 . 0 0 "[ . 1 . 2]" 1
1034 2 106 TRP HA 2 106 TRP HD1 . . 4.910 4.598 4.568 4.642 . 0 0 "[ . 1 . 2]" 1
1035 2 8 LEU HA 2 106 TRP HD1 . . 4.720 4.619 4.154 4.763 0.043 8 0 "[ . 1 . 2]" 1
1036 2 59 TRP HD1 2 63 LEU HG . . 5.400 4.919 4.761 5.084 . 0 0 "[ . 1 . 2]" 1
1037 2 59 TRP HD1 2 60 HIS HD2 . . 4.710 4.718 4.426 4.828 0.118 19 0 "[ . 1 . 2]" 1
1038 2 15 ARG HB3 2 106 TRP HH2 . . 5.500 4.580 4.224 4.989 . 0 0 "[ . 1 . 2]" 1
1039 2 106 TRP HH2 2 110 LYS HG3 . . 4.630 4.167 3.761 4.360 . 0 0 "[ . 1 . 2]" 1
1040 2 12 LEU QD 2 106 TRP HH2 . . 5.350 5.035 4.746 5.364 0.014 7 0 "[ . 1 . 2]" 1
1041 2 15 ARG HA 2 106 TRP HH2 . . 5.500 5.514 5.383 5.582 0.082 7 0 "[ . 1 . 2]" 1
1042 2 15 ARG HB2 2 106 TRP HH2 . . 5.500 4.898 4.711 5.094 . 0 0 "[ . 1 . 2]" 1
1043 2 15 ARG QG 2 106 TRP HH2 . . 3.880 2.568 2.346 2.771 . 0 0 "[ . 1 . 2]" 1
1044 2 59 TRP HH2 2 104 LYS QG . . 4.960 4.077 3.930 4.223 . 0 0 "[ . 1 . 2]" 1
1045 2 59 TRP HH2 2 104 LYS HB3 . . 3.750 2.226 2.075 2.305 . 0 0 "[ . 1 . 2]" 1
1046 2 59 TRP HH2 2 105 ALA MB . . 4.470 3.600 3.418 3.713 . 0 0 "[ . 1 . 2]" 1
1047 2 59 TRP HH2 2 108 VAL HB . . 5.140 4.543 4.260 4.810 . 0 0 "[ . 1 . 2]" 1
1048 2 106 TRP HE3 2 109 VAL HB . . 3.390 2.752 2.510 2.980 . 0 0 "[ . 1 . 2]" 1
1049 2 12 LEU QD 2 106 TRP HE3 . . 4.220 3.373 3.080 3.790 . 0 0 "[ . 1 . 2]" 1
1050 2 106 TRP HA 2 106 TRP HE3 . . 3.160 2.457 2.398 2.507 . 0 0 "[ . 1 . 2]" 1
1051 2 106 TRP QB 2 106 TRP HE3 . . 3.600 2.916 2.892 2.950 . 0 0 "[ . 1 . 2]" 1
1052 2 106 TRP HE3 2 109 VAL MG2 . . 3.940 3.757 3.506 3.955 0.015 12 0 "[ . 1 . 2]" 1
1053 2 91 LYS QB 2 92 TRP HE3 . . 5.500 4.075 2.822 5.614 0.114 5 0 "[ . 1 . 2]" 1
1054 2 68 HIS HA 2 68 HIS HD2 . . 3.800 2.450 2.174 4.182 0.382 19 0 "[ . 1 . 2]" 1
1055 2 68 HIS HB2 2 68 HIS HD2 . . 3.510 3.193 2.717 3.737 0.227 19 0 "[ . 1 . 2]" 1
1056 2 12 LEU QD 2 106 TRP HZ3 . . 4.860 4.461 4.092 4.883 0.023 2 0 "[ . 1 . 2]" 1
1057 2 106 TRP HA 2 106 TRP HZ3 . . 4.690 4.708 4.667 4.752 0.062 7 0 "[ . 1 . 2]" 1
1058 2 15 ARG HB2 2 106 TRP HZ3 . . 4.760 4.741 4.567 4.836 0.076 11 0 "[ . 1 . 2]" 1
1059 2 106 TRP HZ3 2 109 VAL HB . . 4.820 3.945 3.724 4.181 . 0 0 "[ . 1 . 2]" 1
1060 2 71 THR MG 2 106 TRP HZ3 . . 4.000 2.422 2.272 2.623 . 0 0 "[ . 1 . 2]" 1
1061 2 59 TRP HA 2 59 TRP HZ3 . . 5.400 5.023 4.967 5.100 . 0 0 "[ . 1 . 2]" 1
1062 2 59 TRP HZ3 2 101 THR HB . . 5.500 4.008 3.829 4.251 . 0 0 "[ . 1 . 2]" 1
1063 2 59 TRP HZ3 2 104 LYS QD . . 5.480 5.068 4.592 5.323 . 0 0 "[ . 1 . 2]" 1
1064 2 59 TRP HZ3 2 105 ALA HA . . 4.440 3.436 3.244 3.678 . 0 0 "[ . 1 . 2]" 1
1065 2 59 TRP HZ3 2 101 THR MG . . 4.400 3.925 3.655 4.322 . 0 0 "[ . 1 . 2]" 1
1066 2 15 ARG HB3 2 106 TRP HZ3 . . 4.660 4.070 3.833 4.346 . 0 0 "[ . 1 . 2]" 1
1067 2 59 TRP HZ3 2 104 LYS HB2 . . 3.610 2.350 2.159 2.732 . 0 0 "[ . 1 . 2]" 1
1068 2 56 ARG HA 2 60 HIS HD2 . . 4.260 4.059 3.665 4.379 0.119 11 0 "[ . 1 . 2]" 1
1069 2 60 HIS HA 2 60 HIS HD2 . . 4.520 4.448 4.354 4.496 . 0 0 "[ . 1 . 2]" 1
1070 2 60 HIS QB 2 60 HIS HD2 . . 3.740 2.547 2.529 2.571 . 0 0 "[ . 1 . 2]" 1
1071 2 56 ARG QB 2 60 HIS HD2 . . 3.470 2.756 2.338 3.569 0.099 14 0 "[ . 1 . 2]" 1
1072 2 56 ARG QG 2 60 HIS HD2 . . 4.320 3.644 2.323 4.491 0.171 1 0 "[ . 1 . 2]" 1
1073 2 60 HIS HD2 2 61 VAL MG1 . . 5.500 5.284 5.132 5.422 . 0 0 "[ . 1 . 2]" 1
1074 2 52 ILE MD 2 60 HIS HD2 . . 4.290 2.457 2.166 2.942 . 0 0 "[ . 1 . 2]" 1
1075 2 59 TRP HE3 2 104 LYS HB2 . . 5.150 4.424 4.230 4.750 . 0 0 "[ . 1 . 2]" 1
1076 2 59 TRP HA 2 59 TRP HE3 . . 3.470 2.781 2.709 2.873 . 0 0 "[ . 1 . 2]" 1
1077 2 59 TRP HE3 2 101 THR MG . . 3.870 2.697 2.429 2.989 . 0 0 "[ . 1 . 2]" 1
1078 2 47 TYR HB2 2 47 TYR HE2 . . 4.720 4.662 4.622 4.707 . 0 0 "[ . 1 . 2]" 1
1079 2 46 THR MG 2 47 TYR HE2 . . 3.620 3.232 2.940 3.694 0.074 11 0 "[ . 1 . 2]" 1
1080 2 40 ILE MG 2 47 TYR HE2 . . 3.730 3.741 3.556 3.847 0.117 7 0 "[ . 1 . 2]" 1
1081 2 111 LYS QG 2 112 TYR HE2 . . 4.820 4.569 3.503 4.884 0.064 15 0 "[ . 1 . 2]" 1
1082 2 11 GLU HA 2 106 TRP HZ2 . . 5.310 5.350 5.089 5.412 0.102 14 0 "[ . 1 . 2]" 1
1083 2 59 TRP HZ2 2 104 LYS HB3 . . 4.930 4.086 3.939 4.214 . 0 0 "[ . 1 . 2]" 1
1084 2 11 GLU HG2 2 106 TRP HZ2 . . 4.420 2.438 2.273 2.578 . 0 0 "[ . 1 . 2]" 1
1085 2 11 GLU HB3 2 106 TRP HZ2 . . 4.410 4.442 4.286 4.534 0.124 7 0 "[ . 1 . 2]" 1
1086 2 15 ARG QG 2 106 TRP HZ2 . . 3.800 3.522 3.265 3.731 . 0 0 "[ . 1 . 2]" 1
1087 2 106 TRP HZ2 2 110 LYS QD . . 4.010 2.925 2.497 3.319 . 0 0 "[ . 1 . 2]" 1
1088 2 106 TRP HZ2 2 110 LYS HG2 . . 4.790 4.892 4.765 4.939 0.149 2 0 "[ . 1 . 2]" 1
1089 2 106 TRP HZ2 2 110 LYS HG3 . . 4.090 3.279 3.181 3.432 . 0 0 "[ . 1 . 2]" 1
1090 2 12 LEU QD 2 106 TRP HZ2 . . 5.120 4.698 4.305 5.123 0.003 20 0 "[ . 1 . 2]" 1
1091 2 59 TRP HZ2 2 105 ALA HA . . 4.870 4.279 4.097 4.368 . 0 0 "[ . 1 . 2]" 1
1092 2 59 TRP HZ2 2 108 VAL HB . . 5.210 4.935 4.694 5.153 . 0 0 "[ . 1 . 2]" 1
1093 2 59 TRP HZ2 2 63 LEU HG . . 4.750 4.185 3.954 4.392 . 0 0 "[ . 1 . 2]" 1
1094 2 5 PHE HA 2 8 LEU QB . . 4.610 2.793 2.405 4.014 . 0 0 "[ . 1 . 2]" 1
1095 2 5 PHE QB 2 6 GLU QB . . 4.890 4.710 4.594 4.801 . 0 0 "[ . 1 . 2]" 1
1096 2 6 GLU H 2 6 GLU QB . . 3.150 2.328 2.311 2.364 . 0 0 "[ . 1 . 2]" 1
1097 2 6 GLU QB 2 7 GLU H . . 4.160 2.845 2.783 2.945 . 0 0 "[ . 1 . 2]" 1
1098 2 6 GLU QB 2 9 ARG H . . 5.340 4.674 4.535 4.790 . 0 0 "[ . 1 . 2]" 1
1099 2 7 GLU H 2 8 LEU QB . . 5.330 4.457 4.166 4.729 . 0 0 "[ . 1 . 2]" 1
1100 2 8 LEU H 2 8 LEU QB . . 3.100 2.245 2.072 2.409 . 0 0 "[ . 1 . 2]" 1
1101 2 8 LEU QB 2 9 ARG H . . 3.440 2.900 2.718 3.635 0.195 6 0 "[ . 1 . 2]" 1
1102 2 11 GLU H 2 11 GLU QG . . 4.620 3.995 3.932 4.058 . 0 0 "[ . 1 . 2]" 1
1103 2 11 GLU HA 2 11 GLU QG . . 3.650 2.546 2.184 2.942 . 0 0 "[ . 1 . 2]" 1
1104 2 11 GLU QG 2 12 LEU H . . 4.710 3.876 3.686 4.089 . 0 0 "[ . 1 . 2]" 1
1105 2 11 GLU QG 2 12 LEU HA . . 5.340 3.893 3.626 4.224 . 0 0 "[ . 1 . 2]" 1
1106 2 11 GLU QG 2 15 ARG QG . . 5.010 3.007 2.591 3.495 . 0 0 "[ . 1 . 2]" 1
1107 2 11 GLU QG 2 106 TRP HE1 . . 4.140 2.725 1.925 3.328 . 0 0 "[ . 1 . 2]" 1
1108 2 11 GLU QG 2 106 TRP HZ2 . . 3.800 2.320 2.157 2.481 . 0 0 "[ . 1 . 2]" 1
1109 2 12 LEU H 2 12 LEU QB . . 3.190 2.275 2.132 2.363 . 0 0 "[ . 1 . 2]" 1
1110 2 12 LEU QB 2 13 VAL H . . 3.510 2.840 2.688 2.987 . 0 0 "[ . 1 . 2]" 1
1111 2 13 VAL MG1 2 14 LYS QG . . 4.950 2.822 2.266 4.699 . 0 0 "[ . 1 . 2]" 1
1112 2 14 LYS H 2 14 LYS QG . . 4.570 2.763 2.416 3.943 . 0 0 "[ . 1 . 2]" 1
1113 2 14 LYS HA 2 14 LYS QG . . 3.530 2.541 2.272 2.905 . 0 0 "[ . 1 . 2]" 1
1114 2 14 LYS QG 2 15 ARG H . . 5.170 4.214 3.733 4.369 . 0 0 "[ . 1 . 2]" 1
1115 2 15 ARG H 2 15 ARG QB . . 3.200 2.218 2.053 2.372 . 0 0 "[ . 1 . 2]" 1
1116 2 15 ARG HA 2 15 ARG QD . . 3.710 2.452 1.962 3.323 . 0 0 "[ . 1 . 2]" 1
1117 2 15 ARG QB 2 15 ARG QD . . 3.170 2.308 2.273 2.348 . 0 0 "[ . 1 . 2]" 1
1118 2 15 ARG QB 2 16 ASP H . . 3.860 3.413 3.294 3.513 . 0 0 "[ . 1 . 2]" 1
1119 2 15 ARG QB 2 70 VAL HA . . 4.690 3.274 2.975 3.592 . 0 0 "[ . 1 . 2]" 1
1120 2 15 ARG QB 2 71 THR H . . 5.340 2.381 2.085 2.599 . 0 0 "[ . 1 . 2]" 1
1121 2 15 ARG QB 2 106 TRP HZ3 . . 4.070 3.846 3.646 4.035 . 0 0 "[ . 1 . 2]" 1
1122 2 15 ARG QB 2 106 TRP HH2 . . 4.630 4.192 3.945 4.422 . 0 0 "[ . 1 . 2]" 1
1123 2 15 ARG QD 2 70 VAL HA . . 4.290 3.816 3.212 4.165 . 0 0 "[ . 1 . 2]" 1
1124 2 15 ARG QD 2 106 TRP HZ3 . . 4.140 2.939 2.327 3.251 . 0 0 "[ . 1 . 2]" 1
1125 2 15 ARG QD 2 113 LEU QD . . 4.850 3.002 2.289 3.490 . 0 0 "[ . 1 . 2]" 1
1126 2 17 SER H 2 17 SER QB . . 3.190 2.369 2.228 2.625 . 0 0 "[ . 1 . 2]" 1
1127 2 17 SER H 2 70 VAL QG . . 4.550 2.087 1.914 2.254 . 0 0 "[ . 1 . 2]" 1
1128 2 17 SER QB 2 18 GLY H . . 3.720 3.403 3.114 3.785 0.065 13 0 "[ . 1 . 2]" 1
1129 2 17 SER QB 2 19 LYS H . . 3.930 2.984 2.622 3.612 . 0 0 "[ . 1 . 2]" 1
1130 2 17 SER QB 2 19 LYS QG . . 4.760 3.233 2.165 4.345 . 0 0 "[ . 1 . 2]" 1
1131 2 17 SER QB 2 19 LYS QE . . 4.140 2.892 2.019 3.692 . 0 0 "[ . 1 . 2]" 1
1132 2 17 SER QB 2 24 ILE QG . . 5.180 4.356 3.617 5.011 . 0 0 "[ . 1 . 2]" 1
1133 2 17 SER QB 2 24 ILE MD . . 4.780 3.590 2.739 4.486 . 0 0 "[ . 1 . 2]" 1
1134 2 17 SER QB 2 70 VAL QG . . 4.000 2.101 1.916 2.432 . 0 0 "[ . 1 . 2]" 1
1135 2 18 GLY H 2 19 LYS QG . . 4.840 4.432 3.760 4.716 . 0 0 "[ . 1 . 2]" 1
1136 2 18 GLY H 2 70 VAL QG . . 5.440 3.983 3.733 4.230 . 0 0 "[ . 1 . 2]" 1
1137 2 18 GLY QA 2 19 LYS QE . . 5.170 5.197 4.690 5.328 0.158 7 0 "[ . 1 . 2]" 1
1138 2 19 LYS H 2 19 LYS QG . . 3.160 2.422 2.131 3.191 0.031 20 0 "[ . 1 . 2]" 1
1139 2 19 LYS QB 2 23 LYS QB . . 4.940 2.885 2.168 3.507 . 0 0 "[ . 1 . 2]" 1
1140 2 21 VAL H 2 75 LYS QB . . 5.340 4.670 3.010 5.412 0.072 10 0 "[ . 1 . 2]" 1
1141 2 21 VAL HA 2 24 ILE QG . . 3.740 3.085 2.873 3.278 . 0 0 "[ . 1 . 2]" 1
1142 2 21 VAL HA 2 75 LYS QE . . 4.700 3.874 2.889 4.779 0.079 16 0 "[ . 1 . 2]" 1
1143 2 21 VAL QG 2 22 GLU H . . 3.500 2.926 2.409 3.525 0.025 18 0 "[ . 1 . 2]" 1
1144 2 21 VAL QG 2 22 GLU QB . . 5.440 3.801 3.148 4.540 . 0 0 "[ . 1 . 2]" 1
1145 2 21 VAL QG 2 22 GLU QG . . 5.440 4.595 3.615 5.421 . 0 0 "[ . 1 . 2]" 1
1146 2 21 VAL QG 2 24 ILE H . . 5.420 3.970 3.637 4.353 . 0 0 "[ . 1 . 2]" 1
1147 2 21 VAL QG 2 75 LYS HA . . 3.310 2.571 1.779 3.356 0.046 19 0 "[ . 1 . 2]" 1
1148 2 21 VAL QG 2 75 LYS QE . . 3.600 3.345 2.147 3.772 0.172 17 0 "[ . 1 . 2]" 1
1149 2 21 VAL QG 2 76 ILE H . . 4.480 4.478 4.102 4.568 0.088 3 0 "[ . 1 . 2]" 1
1150 2 21 VAL QG 2 79 LEU H . . 4.530 3.462 2.816 4.124 . 0 0 "[ . 1 . 2]" 1
1151 2 21 VAL QG 2 79 LEU HA . . 4.960 2.748 2.130 3.782 . 0 0 "[ . 1 . 2]" 1
1152 2 21 VAL QG 2 79 LEU HG . . 4.910 3.991 2.059 4.819 . 0 0 "[ . 1 . 2]" 1
1153 2 21 VAL QG 2 79 LEU MD1 . . 2.560 2.463 2.082 2.627 0.067 7 0 "[ . 1 . 2]" 1
1154 2 22 GLU QG 2 23 LYS QG . . 4.650 3.019 2.121 3.952 . 0 0 "[ . 1 . 2]" 1
1155 2 23 LYS H 2 23 LYS QB . . 2.860 2.422 2.132 2.501 . 0 0 "[ . 1 . 2]" 1
1156 2 23 LYS H 2 23 LYS QG . . 3.900 2.367 2.173 3.700 . 0 0 "[ . 1 . 2]" 1
1157 2 23 LYS H 2 23 LYS QD . . 3.900 3.447 2.545 3.804 . 0 0 "[ . 1 . 2]" 1
1158 2 23 LYS H 2 24 ILE QG . . 5.110 3.899 3.619 5.170 0.060 13 0 "[ . 1 . 2]" 1
1159 2 23 LYS HA 2 26 GLU QG . . 4.980 3.346 2.366 3.889 . 0 0 "[ . 1 . 2]" 1
1160 2 23 LYS QB 2 24 ILE H . . 3.290 2.809 2.652 3.047 . 0 0 "[ . 1 . 2]" 1
1161 2 23 LYS QB 2 24 ILE HA . . 4.720 3.939 3.865 3.998 . 0 0 "[ . 1 . 2]" 1
1162 2 24 ILE H 2 27 GLU QG . . 5.340 4.996 4.614 5.217 . 0 0 "[ . 1 . 2]" 1
1163 2 24 ILE HA 2 27 GLU QB . . 4.030 2.554 2.258 2.917 . 0 0 "[ . 1 . 2]" 1
1164 2 24 ILE HA 2 27 GLU QG . . 4.910 3.386 2.885 3.902 . 0 0 "[ . 1 . 2]" 1
1165 2 24 ILE MD 2 75 LYS QE . . 5.340 2.500 1.887 3.991 . 0 0 "[ . 1 . 2]" 1
1166 2 25 LYS H 2 25 LYS QB . . 2.910 2.299 2.126 2.676 . 0 0 "[ . 1 . 2]" 1
1167 2 25 LYS H 2 25 LYS QG . . 4.060 3.302 1.794 3.937 . 0 0 "[ . 1 . 2]" 1
1168 2 25 LYS HA 2 25 LYS QG . . 3.650 2.777 2.419 3.464 . 0 0 "[ . 1 . 2]" 1
1169 2 25 LYS QB 2 25 LYS QE . . 4.020 3.064 1.895 3.670 . 0 0 "[ . 1 . 2]" 1
1170 2 25 LYS QB 2 26 GLU H . . 3.540 2.963 2.519 3.711 0.171 14 0 "[ . 1 . 2]" 1
1171 2 25 LYS QB 2 26 GLU HA . . 4.610 4.378 4.267 4.565 . 0 0 "[ . 1 . 2]" 1
1172 2 25 LYS QB 2 26 GLU QG . . 4.590 3.496 2.913 4.467 . 0 0 "[ . 1 . 2]" 1
1173 2 25 LYS QB 2 27 GLU H . . 5.340 4.802 4.575 5.123 . 0 0 "[ . 1 . 2]" 1
1174 2 25 LYS QB 2 65 LEU MD2 . . 4.550 4.231 3.459 4.595 0.045 16 0 "[ . 1 . 2]" 1
1175 2 25 LYS QG 2 26 GLU H . . 4.750 3.204 2.346 3.665 . 0 0 "[ . 1 . 2]" 1
1176 2 25 LYS QG 2 26 GLU HA . . 4.610 3.669 3.211 4.676 0.066 15 0 "[ . 1 . 2]" 1
1177 2 25 LYS QG 2 26 GLU QB . . 5.130 4.468 3.821 4.848 . 0 0 "[ . 1 . 2]" 1
1178 2 25 LYS QG 2 26 GLU QG . . 5.180 3.272 2.266 4.906 . 0 0 "[ . 1 . 2]" 1
1179 2 25 LYS QG 2 41 ILE MG . . 4.890 2.610 2.073 3.709 . 0 0 "[ . 1 . 2]" 1
1180 2 25 LYS QG 2 41 ILE MD . . 5.340 4.646 3.790 5.499 0.159 14 0 "[ . 1 . 2]" 1
1181 2 25 LYS QG 2 65 LEU MD2 . . 5.000 4.824 4.184 5.085 0.085 4 0 "[ . 1 . 2]" 1
1182 2 26 GLU H 2 26 GLU QG . . 3.670 2.273 1.934 2.381 . 0 0 "[ . 1 . 2]" 1
1183 2 26 GLU HA 2 26 GLU QG . . 3.600 2.808 2.333 3.343 . 0 0 "[ . 1 . 2]" 1
1184 2 26 GLU QG 2 27 GLU H . . 4.580 4.076 2.435 4.294 . 0 0 "[ . 1 . 2]" 1
1185 2 27 GLU H 2 27 GLU QB . . 3.260 2.289 2.218 2.369 . 0 0 "[ . 1 . 2]" 1
1186 2 27 GLU H 2 27 GLU QG . . 3.250 2.447 2.245 2.735 . 0 0 "[ . 1 . 2]" 1
1187 2 27 GLU HA 2 27 GLU QB . . 2.570 2.430 2.392 2.473 . 0 0 "[ . 1 . 2]" 1
1188 2 27 GLU HA 2 27 GLU QG . . 3.620 2.595 2.281 2.878 . 0 0 "[ . 1 . 2]" 1
1189 2 27 GLU QB 2 28 ILE HA . . 5.340 4.083 4.026 4.129 . 0 0 "[ . 1 . 2]" 1
1190 2 27 GLU QB 2 28 ILE HG12 . . 5.030 4.509 4.265 4.677 . 0 0 "[ . 1 . 2]" 1
1191 2 27 GLU QB 2 28 ILE MD . . 4.260 4.287 4.213 4.322 0.062 18 0 "[ . 1 . 2]" 1
1192 2 27 GLU QB 2 29 CYS H . . 5.240 4.933 4.723 5.027 . 0 0 "[ . 1 . 2]" 1
1193 2 28 ILE HA 2 31 LYS QB . . 5.170 3.314 2.917 3.699 . 0 0 "[ . 1 . 2]" 1
1194 2 28 ILE MG 2 31 LYS QB . . 5.340 3.729 3.056 4.228 . 0 0 "[ . 1 . 2]" 1
1195 2 30 THR HB 2 31 LYS QG . . 5.090 4.854 4.649 5.063 . 0 0 "[ . 1 . 2]" 1
1196 2 30 THR MG 2 31 LYS QB . . 4.560 3.904 3.751 4.142 . 0 0 "[ . 1 . 2]" 1
1197 2 31 LYS H 2 31 LYS QB . . 3.080 2.428 2.321 2.494 . 0 0 "[ . 1 . 2]" 1
1198 2 31 LYS HA 2 31 LYS QG . . 3.480 2.643 2.263 3.088 . 0 0 "[ . 1 . 2]" 1
1199 2 37 ILE H 2 37 ILE QG . . 4.240 2.295 2.077 3.590 . 0 0 "[ . 1 . 2]" 1
1200 2 37 ILE QG 2 37 ILE MG . . 3.140 2.279 2.066 2.319 . 0 0 "[ . 1 . 2]" 1
1201 2 37 ILE QG 2 41 ILE MD . . 4.910 4.421 2.243 5.113 0.203 18 0 "[ . 1 . 2]" 1
1202 2 37 ILE QG 2 64 TYR QE . . 5.150 3.630 3.139 4.289 . 0 0 "[ . 1 . 2]" 1
1203 2 37 ILE MD 2 64 TYR QB . . 3.780 2.387 2.115 2.844 . 0 0 "[ . 1 . 2]" 1
1204 2 39 GLU H 2 39 GLU QB . . 3.670 2.293 2.173 2.379 . 0 0 "[ . 1 . 2]" 1
1205 2 39 GLU H 2 39 GLU QG . . 4.020 2.927 2.246 4.043 0.023 2 0 "[ . 1 . 2]" 1
1206 2 39 GLU HA 2 43 GLU QG . . 3.940 2.681 2.168 3.478 . 0 0 "[ . 1 . 2]" 1
1207 2 39 GLU QB 2 40 ILE H . . 3.500 2.953 2.701 3.155 . 0 0 "[ . 1 . 2]" 1
1208 2 39 GLU QB 2 40 ILE HB . . 5.340 4.716 4.539 4.859 . 0 0 "[ . 1 . 2]" 1
1209 2 39 GLU QG 2 40 ILE H . . 4.720 4.185 3.744 4.369 . 0 0 "[ . 1 . 2]" 1
1210 2 40 ILE HB 2 41 ILE QG . . 3.530 2.920 2.671 3.425 . 0 0 "[ . 1 . 2]" 1
1211 2 40 ILE MG 2 45 LYS QB . . 4.760 4.684 3.973 4.828 0.068 6 0 "[ . 1 . 2]" 1
1212 2 40 ILE QG 2 47 TYR HA . . 4.890 3.946 3.392 4.200 . 0 0 "[ . 1 . 2]" 1
1213 2 40 ILE QG 2 47 TYR HD1 . . 4.480 3.461 2.869 4.519 0.039 20 0 "[ . 1 . 2]" 1
1214 2 40 ILE MD 2 45 LYS QB . . 5.340 3.329 2.792 4.829 . 0 0 "[ . 1 . 2]" 1
1215 2 41 ILE H 2 41 ILE QG . . 3.180 2.543 2.186 2.871 . 0 0 "[ . 1 . 2]" 1
1216 2 41 ILE HA 2 41 ILE QG . . 3.290 2.425 2.215 3.083 . 0 0 "[ . 1 . 2]" 1
1217 2 41 ILE HB 2 42 CYS QB . . 4.680 3.992 3.471 4.500 . 0 0 "[ . 1 . 2]" 1
1218 2 41 ILE QG 2 42 CYS H . . 4.500 4.131 3.936 4.321 . 0 0 "[ . 1 . 2]" 1
1219 2 42 CYS H 2 42 CYS QB . . 3.580 2.350 2.231 2.639 . 0 0 "[ . 1 . 2]" 1
1220 2 42 CYS QB 2 43 GLU H . . 3.920 3.243 2.497 3.764 . 0 0 "[ . 1 . 2]" 1
1221 2 42 CYS QB 2 43 GLU QG . . 4.610 3.003 2.625 3.488 . 0 0 "[ . 1 . 2]" 1
1222 2 43 GLU H 2 43 GLU QG . . 3.640 2.832 2.220 3.148 . 0 0 "[ . 1 . 2]" 1
1223 2 43 GLU HA 2 43 GLU QG . . 3.380 2.881 2.329 3.035 . 0 0 "[ . 1 . 2]" 1
1224 2 43 GLU HB2 2 45 LYS QE . . 4.750 3.984 2.527 4.780 0.030 6 0 "[ . 1 . 2]" 1
1225 2 43 GLU HB3 2 44 ASN QB . . 4.940 4.433 4.103 4.888 . 0 0 "[ . 1 . 2]" 1
1226 2 43 GLU HB3 2 45 LYS QG . . 4.890 2.817 2.260 4.446 . 0 0 "[ . 1 . 2]" 1
1227 2 43 GLU HB3 2 45 LYS QE . . 4.970 3.195 2.292 3.977 . 0 0 "[ . 1 . 2]" 1
1228 2 43 GLU QG 2 44 ASN H . . 4.770 4.281 3.790 4.436 . 0 0 "[ . 1 . 2]" 1
1229 2 43 GLU QG 2 45 LYS QE . . 4.550 3.784 2.300 4.595 0.045 11 0 "[ . 1 . 2]" 1
1230 2 44 ASN H 2 45 LYS QE . . 5.300 4.479 3.622 5.184 . 0 0 "[ . 1 . 2]" 1
1231 2 44 ASN QB 2 45 LYS H . . 4.480 3.579 3.304 3.959 . 0 0 "[ . 1 . 2]" 1
1232 2 45 LYS H 2 45 LYS QB . . 3.050 2.468 2.300 2.635 . 0 0 "[ . 1 . 2]" 1
1233 2 45 LYS H 2 45 LYS QE . . 5.220 3.933 3.240 4.454 . 0 0 "[ . 1 . 2]" 1
1234 2 45 LYS QB 2 46 THR H . . 3.350 2.293 2.171 2.500 . 0 0 "[ . 1 . 2]" 1
1235 2 45 LYS QB 2 46 THR MG . . 5.320 4.865 4.446 5.121 . 0 0 "[ . 1 . 2]" 1
1236 2 45 LYS QB 2 49 ASP H . . 5.040 4.340 4.141 4.717 . 0 0 "[ . 1 . 2]" 1
1237 2 45 LYS QB 2 49 ASP QB . . 4.320 2.347 2.151 2.688 . 0 0 "[ . 1 . 2]" 1
1238 2 45 LYS QB 2 50 VAL H . . 4.980 4.932 4.210 5.047 0.067 8 0 "[ . 1 . 2]" 1
1239 2 45 LYS QE 2 45 LYS QG . . 3.330 2.220 2.103 2.411 . 0 0 "[ . 1 . 2]" 1
1240 2 45 LYS QG 2 46 THR H . . 4.980 3.980 3.638 4.452 . 0 0 "[ . 1 . 2]" 1
1241 2 46 THR H 2 49 ASP QB . . 3.310 2.388 1.762 2.650 . 0 0 "[ . 1 . 2]" 1
1242 2 46 THR MG 2 82 ARG QB . . 3.390 2.154 1.952 2.498 . 0 0 "[ . 1 . 2]" 1
1243 2 46 THR MG 2 82 ARG QD . . 3.830 3.192 2.078 3.914 0.084 18 0 "[ . 1 . 2]" 1
1244 2 47 TYR H 2 82 ARG QB . . 4.760 4.712 3.922 4.920 0.160 6 0 "[ . 1 . 2]" 1
1245 2 47 TYR HD1 2 57 GLY QA . . 4.380 2.487 2.258 2.702 . 0 0 "[ . 1 . 2]" 1
1246 2 49 ASP H 2 49 ASP QB . . 3.080 2.353 2.246 2.478 . 0 0 "[ . 1 . 2]" 1
1247 2 49 ASP QB 2 50 VAL H . . 3.410 3.011 2.616 3.163 . 0 0 "[ . 1 . 2]" 1
1248 2 49 ASP QB 2 51 ASN H . . 5.280 4.622 4.377 4.736 . 0 0 "[ . 1 . 2]" 1
1249 2 50 VAL H 2 51 ASN QB . . 5.340 4.913 4.505 5.274 . 0 0 "[ . 1 . 2]" 1
1250 2 51 ASN H 2 51 ASN QB . . 3.430 3.168 2.835 3.359 . 0 0 "[ . 1 . 2]" 1
1251 2 52 ILE H 2 52 ILE QG . . 4.540 4.010 3.997 4.031 . 0 0 "[ . 1 . 2]" 1
1252 2 52 ILE QG 2 53 ASP H . . 3.040 2.146 2.059 2.256 . 0 0 "[ . 1 . 2]" 1
1253 2 52 ILE QG 2 57 GLY H . . 4.390 3.313 2.934 3.561 . 0 0 "[ . 1 . 2]" 1
1254 2 52 ILE MD 2 57 GLY QA . . 3.820 2.514 2.180 2.681 . 0 0 "[ . 1 . 2]" 1
1255 2 53 ASP H 2 53 ASP QB . . 3.000 2.393 2.157 2.587 . 0 0 "[ . 1 . 2]" 1
1256 2 53 ASP HA 2 54 ARG QD . . 4.320 3.775 3.171 4.400 0.080 17 0 "[ . 1 . 2]" 1
1257 2 53 ASP QB 2 54 ARG H . . 4.370 3.216 2.789 3.812 . 0 0 "[ . 1 . 2]" 1
1258 2 53 ASP QB 2 56 ARG QB . . 3.980 2.248 2.054 2.561 . 0 0 "[ . 1 . 2]" 1
1259 2 53 ASP QB 2 57 GLY H . . 4.970 3.829 3.289 4.321 . 0 0 "[ . 1 . 2]" 1
1260 2 54 ARG H 2 54 ARG QB . . 3.100 2.358 2.119 2.548 . 0 0 "[ . 1 . 2]" 1
1261 2 54 ARG H 2 54 ARG QD . . 3.630 2.729 1.869 3.185 . 0 0 "[ . 1 . 2]" 1
1262 2 54 ARG HA 2 54 ARG QD . . 3.600 2.355 2.002 3.850 0.250 17 0 "[ . 1 . 2]" 1
1263 2 54 ARG HA 2 85 LYS QG . . 5.160 4.597 4.051 5.009 . 0 0 "[ . 1 . 2]" 1
1264 2 54 ARG HA 2 85 LYS QD . . 5.130 4.982 4.379 5.186 0.056 20 0 "[ . 1 . 2]" 1
1265 2 54 ARG QB 2 55 SER H . . 3.660 2.890 2.753 3.105 . 0 0 "[ . 1 . 2]" 1
1266 2 54 ARG QD 2 55 SER H . . 4.790 4.561 4.189 4.811 0.021 17 0 "[ . 1 . 2]" 1
1267 2 55 SER H 2 55 SER QB . . 3.550 2.411 2.198 2.539 . 0 0 "[ . 1 . 2]" 1
1268 2 55 SER QB 2 56 ARG H . . 3.920 2.938 2.426 3.501 . 0 0 "[ . 1 . 2]" 1
1269 2 55 SER QB 2 56 ARG HA . . 4.450 4.225 3.873 4.468 0.018 15 0 "[ . 1 . 2]" 1
1270 2 56 ARG HA 2 59 TRP QB . . 4.480 2.346 2.118 2.672 . 0 0 "[ . 1 . 2]" 1
1271 2 56 ARG QB 2 57 GLY QA . . 5.060 3.691 3.515 3.807 . 0 0 "[ . 1 . 2]" 1
1272 2 57 GLY QA 2 61 VAL MG1 . . 4.330 3.636 3.511 3.770 . 0 0 "[ . 1 . 2]" 1
1273 2 58 ASP QB 2 59 TRP H . . 3.780 2.624 2.520 2.712 . 0 0 "[ . 1 . 2]" 1
1274 2 58 ASP QB 2 62 ILE MD . . 3.990 2.646 2.401 3.569 . 0 0 "[ . 1 . 2]" 1
1275 2 58 ASP QB 2 101 THR MG . . 4.620 3.576 3.278 4.399 . 0 0 "[ . 1 . 2]" 1
1276 2 59 TRP HA 2 63 LEU QB . . 5.540 5.185 5.075 5.313 . 0 0 "[ . 1 . 2]" 1
1277 2 59 TRP HA 2 63 LEU QD . . 5.060 4.461 4.343 4.619 . 0 0 "[ . 1 . 2]" 1
1278 2 59 TRP QB 2 60 HIS H . . 3.460 2.843 2.819 2.891 . 0 0 "[ . 1 . 2]" 1
1279 2 59 TRP HD1 2 63 LEU QD . . 5.030 3.382 3.280 3.455 . 0 0 "[ . 1 . 2]" 1
1280 2 59 TRP HE1 2 63 LEU QD . . 4.340 2.423 2.326 2.570 . 0 0 "[ . 1 . 2]" 1
1281 2 59 TRP HZ2 2 63 LEU QD . . 3.980 2.433 2.308 2.544 . 0 0 "[ . 1 . 2]" 1
1282 2 59 TRP HZ2 2 108 VAL QG . . 3.250 3.037 2.682 3.232 . 0 0 "[ . 1 . 2]" 1
1283 2 59 TRP HH2 2 63 LEU QD . . 4.500 3.038 2.897 3.182 . 0 0 "[ . 1 . 2]" 1
1284 2 59 TRP HH2 2 108 VAL QG . . 3.530 3.199 2.945 3.467 . 0 0 "[ . 1 . 2]" 1
1285 2 63 LEU H 2 63 LEU QB . . 3.150 2.221 2.184 2.249 . 0 0 "[ . 1 . 2]" 1
1286 2 63 LEU H 2 63 LEU QD . . 4.080 3.313 3.276 3.361 . 0 0 "[ . 1 . 2]" 1
1287 2 63 LEU H 2 64 TYR QB . . 5.340 4.451 4.408 4.518 . 0 0 "[ . 1 . 2]" 1
1288 2 63 LEU HA 2 63 LEU QD . . 4.130 1.958 1.943 1.980 . 0 0 "[ . 1 . 2]" 1
1289 2 63 LEU QB 2 64 TYR H . . 3.620 2.627 2.513 2.696 . 0 0 "[ . 1 . 2]" 1
1290 2 63 LEU QD 2 105 ALA HA . . 4.440 2.188 2.096 2.358 . 0 0 "[ . 1 . 2]" 1
1291 2 63 LEU QD 2 105 ALA MB . . 3.820 2.381 2.195 2.718 . 0 0 "[ . 1 . 2]" 1
1292 2 63 LEU QD 2 108 VAL HB . . 4.860 2.591 2.279 2.828 . 0 0 "[ . 1 . 2]" 1
1293 2 64 TYR H 2 64 TYR QB . . 3.120 2.206 2.163 2.253 . 0 0 "[ . 1 . 2]" 1
1294 2 64 TYR HA 2 67 LYS QB . . 4.060 2.289 2.140 2.439 . 0 0 "[ . 1 . 2]" 1
1295 2 64 TYR HA 2 67 LYS QD . . 4.350 3.210 2.346 4.420 0.070 16 0 "[ . 1 . 2]" 1
1296 2 64 TYR QB 2 65 LEU H . . 3.460 2.717 2.625 2.853 . 0 0 "[ . 1 . 2]" 1
1297 2 67 LYS H 2 67 LYS QB . . 3.320 2.227 2.203 2.295 . 0 0 "[ . 1 . 2]" 1
1298 2 67 LYS H 2 67 LYS QG . . 4.040 3.423 2.420 3.973 . 0 0 "[ . 1 . 2]" 1
1299 2 67 LYS HA 2 67 LYS QG . . 3.450 2.359 2.185 2.434 . 0 0 "[ . 1 . 2]" 1
1300 2 67 LYS QB 2 67 LYS QD . . 3.060 2.240 2.098 2.376 . 0 0 "[ . 1 . 2]" 1
1301 2 67 LYS QB 2 68 HIS H . . 4.150 3.270 3.188 3.368 . 0 0 "[ . 1 . 2]" 1
1302 2 67 LYS QG 2 109 VAL HA . . 5.260 3.785 2.636 4.662 . 0 0 "[ . 1 . 2]" 1
1303 2 68 HIS H 2 70 VAL QG . . 4.560 4.130 3.919 4.713 0.153 2 0 "[ . 1 . 2]" 1
1304 2 69 GLY H 2 70 VAL QG . . 3.890 3.756 3.615 3.978 0.088 2 0 "[ . 1 . 2]" 1
1305 2 70 VAL H 2 70 VAL QG . . 3.020 2.330 2.252 2.725 . 0 0 "[ . 1 . 2]" 1
1306 2 70 VAL QG 2 71 THR H . . 3.510 2.430 2.358 2.549 . 0 0 "[ . 1 . 2]" 1
1307 2 70 VAL QG 2 72 ASP H . . 4.300 4.266 4.102 4.405 0.105 5 0 "[ . 1 . 2]" 1
1308 2 74 ASP H 2 75 LYS QG . . 5.260 4.024 3.720 4.797 . 0 0 "[ . 1 . 2]" 1
1309 2 74 ASP HA 2 78 GLU QG . . 4.390 3.585 2.970 3.870 . 0 0 "[ . 1 . 2]" 1
1310 2 75 LYS H 2 75 LYS QB . . 3.170 2.414 2.176 2.704 . 0 0 "[ . 1 . 2]" 1
1311 2 75 LYS H 2 75 LYS QG . . 3.120 2.198 1.776 2.890 . 0 0 "[ . 1 . 2]" 1
1312 2 75 LYS HA 2 75 LYS QG . . 3.100 2.727 2.075 3.330 0.230 7 0 "[ . 1 . 2]" 1
1313 2 75 LYS QB 2 76 ILE HA . . 4.230 3.972 3.754 4.343 0.113 7 0 "[ . 1 . 2]" 1
1314 2 75 LYS QG 2 76 ILE H . . 4.960 3.817 2.218 4.429 . 0 0 "[ . 1 . 2]" 1
1315 2 76 ILE HA 2 79 LEU QB . . 4.370 3.094 2.634 3.850 . 0 0 "[ . 1 . 2]" 1
1316 2 77 LEU HA 2 87 LYS QE . . 5.040 3.941 2.791 5.025 . 0 0 "[ . 1 . 2]" 1
1317 2 77 LEU HG 2 87 LYS QE . . 4.170 3.723 2.978 4.217 0.047 8 0 "[ . 1 . 2]" 1
1318 2 77 LEU MD1 2 87 LYS QE . . 3.910 2.435 1.943 3.238 . 0 0 "[ . 1 . 2]" 1
1319 2 78 GLU H 2 78 GLU QB . . 2.950 2.335 2.263 2.405 . 0 0 "[ . 1 . 2]" 1
1320 2 78 GLU H 2 78 GLU QG . . 3.500 2.520 2.445 2.638 . 0 0 "[ . 1 . 2]" 1
1321 2 78 GLU HA 2 78 GLU QG . . 3.680 2.737 2.253 2.853 . 0 0 "[ . 1 . 2]" 1
1322 2 78 GLU HA 2 87 LYS QE . . 5.300 5.022 4.429 5.411 0.111 10 0 "[ . 1 . 2]" 1
1323 2 78 GLU QB 2 79 LEU H . . 4.370 3.379 3.210 3.518 . 0 0 "[ . 1 . 2]" 1
1324 2 79 LEU H 2 79 LEU QB . . 3.200 2.198 2.073 2.257 . 0 0 "[ . 1 . 2]" 1
1325 2 79 LEU QB 2 79 LEU MD1 . . 2.940 2.270 2.095 2.333 . 0 0 "[ . 1 . 2]" 1
1326 2 79 LEU QB 2 80 LEU H . . 4.410 3.075 2.717 3.406 . 0 0 "[ . 1 . 2]" 1
1327 2 80 LEU H 2 87 LYS QE . . 5.340 3.996 2.894 5.143 . 0 0 "[ . 1 . 2]" 1
1328 2 82 ARG H 2 82 ARG QB . . 2.990 2.287 2.180 2.468 . 0 0 "[ . 1 . 2]" 1
1329 2 82 ARG H 2 82 ARG QD . . 4.950 4.102 1.934 4.741 . 0 0 "[ . 1 . 2]" 1
1330 2 82 ARG H 2 83 ASP QB . . 5.040 4.703 4.387 5.185 0.145 5 0 "[ . 1 . 2]" 1
1331 2 82 ARG HA 2 82 ARG QD . . 4.270 3.781 1.987 4.215 . 0 0 "[ . 1 . 2]" 1
1332 2 82 ARG QB 2 83 ASP H . . 3.300 2.765 2.463 3.046 . 0 0 "[ . 1 . 2]" 1
1333 2 83 ASP H 2 83 ASP QB . . 3.610 2.631 2.429 3.268 . 0 0 "[ . 1 . 2]" 1
1334 2 84 SER QB 2 87 LYS QB . . 4.440 3.177 2.078 4.382 . 0 0 "[ . 1 . 2]" 1
1335 2 85 LYS H 2 85 LYS QG . . 3.540 2.171 1.980 2.437 . 0 0 "[ . 1 . 2]" 1
1336 2 85 LYS HA 2 85 LYS QG . . 3.620 2.847 2.298 3.092 . 0 0 "[ . 1 . 2]" 1
1337 2 85 LYS HA 2 85 LYS QD . . 4.990 2.517 2.006 4.101 . 0 0 "[ . 1 . 2]" 1
1338 2 85 LYS QE 2 85 LYS QG . . 3.330 2.544 2.271 2.836 . 0 0 "[ . 1 . 2]" 1
1339 2 86 ALA MB 2 98 PHE QB . . 4.270 2.596 2.229 3.173 . 0 0 "[ . 1 . 2]" 1
1340 2 87 LYS H 2 87 LYS QB . . 3.270 2.579 2.204 3.214 . 0 0 "[ . 1 . 2]" 1
1341 2 87 LYS H 2 87 LYS QE . . 5.340 4.817 4.078 5.443 0.103 1 0 "[ . 1 . 2]" 1
1342 2 87 LYS HA 2 87 LYS QE . . 5.040 3.664 1.677 4.993 . 0 0 "[ . 1 . 2]" 1
1343 2 87 LYS QB 2 87 LYS QD . . 3.320 2.356 2.107 2.853 . 0 0 "[ . 1 . 2]" 1
1344 2 87 LYS QB 2 87 LYS QE . . 4.370 2.562 1.890 3.655 . 0 0 "[ . 1 . 2]" 1
1345 2 87 LYS QB 2 88 GLU H . . 4.290 3.528 3.097 4.092 . 0 0 "[ . 1 . 2]" 1
1346 2 87 LYS QE 2 87 LYS QG . . 3.390 2.507 2.115 2.876 . 0 0 "[ . 1 . 2]" 1
1347 2 88 GLU H 2 88 GLU QB . . 3.110 2.315 2.151 2.431 . 0 0 "[ . 1 . 2]" 1
1348 2 88 GLU HA 2 89 ASN QB . . 5.070 4.792 4.256 5.248 0.178 11 0 "[ . 1 . 2]" 1
1349 2 88 GLU QB 2 89 ASN QB . . 5.160 4.034 3.296 4.952 . 0 0 "[ . 1 . 2]" 1
1350 2 89 ASN QB 2 94 THR MG . . 4.730 3.145 2.115 4.548 . 0 0 "[ . 1 . 2]" 1
1351 2 91 LYS H 2 91 LYS QG . . 4.400 2.679 2.062 4.409 0.009 5 0 "[ . 1 . 2]" 1
1352 2 95 GLN H 2 95 GLN QB . . 3.280 2.304 2.206 2.472 . 0 0 "[ . 1 . 2]" 1
1353 2 95 GLN H 2 95 GLN QG . . 4.420 3.255 2.091 4.048 . 0 0 "[ . 1 . 2]" 1
1354 2 95 GLN HA 2 95 GLN QG . . 3.440 2.702 2.373 3.029 . 0 0 "[ . 1 . 2]" 1
1355 2 95 GLN HA 2 98 PHE QB . . 4.280 2.399 2.122 2.736 . 0 0 "[ . 1 . 2]" 1
1356 2 95 GLN QB 2 96 LYS H . . 4.220 2.750 2.590 2.940 . 0 0 "[ . 1 . 2]" 1
1357 2 95 GLN QB 2 98 PHE H . . 5.340 4.836 4.646 5.010 . 0 0 "[ . 1 . 2]" 1
1358 2 96 LYS H 2 96 LYS QB . . 3.590 2.306 2.069 2.525 . 0 0 "[ . 1 . 2]" 1
1359 2 96 LYS HA 2 96 LYS QD . . 4.040 3.065 2.041 4.181 0.141 1 0 "[ . 1 . 2]" 1
1360 2 96 LYS QB 2 97 TYR H . . 3.940 2.621 2.460 2.825 . 0 0 "[ . 1 . 2]" 1
1361 2 96 LYS QB 2 97 TYR HA . . 4.390 4.084 3.864 4.374 . 0 0 "[ . 1 . 2]" 1
1362 2 98 PHE H 2 98 PHE QB . . 3.450 2.163 2.138 2.184 . 0 0 "[ . 1 . 2]" 1
1363 2 98 PHE QB 2 99 VAL H . . 3.750 2.851 2.760 2.956 . 0 0 "[ . 1 . 2]" 1
1364 2 98 PHE QB 2 99 VAL QG . . 5.340 3.545 3.098 4.236 . 0 0 "[ . 1 . 2]" 1
1365 2 98 PHE HZ 2 102 LEU QD . . 5.110 2.799 2.560 3.277 . 0 0 "[ . 1 . 2]" 1
1366 2 98 PHE HD2 2 102 LEU QD . . 4.830 4.107 3.633 4.512 . 0 0 "[ . 1 . 2]" 1
1367 2 102 LEU H 2 102 LEU QB . . 3.450 2.323 2.265 2.373 . 0 0 "[ . 1 . 2]" 1
1368 2 102 LEU H 2 102 LEU QD . . 4.100 3.148 3.104 3.216 . 0 0 "[ . 1 . 2]" 1
1369 2 102 LEU HA 2 102 LEU QD . . 3.690 2.004 1.963 2.037 . 0 0 "[ . 1 . 2]" 1
1370 2 102 LEU QB 2 103 SER H . . 3.750 2.731 2.621 2.864 . 0 0 "[ . 1 . 2]" 1
1371 2 102 LEU QB 2 103 SER HA . . 4.690 3.897 3.844 3.987 . 0 0 "[ . 1 . 2]" 1
1372 2 102 LEU QB 2 103 SER QB . . 5.340 3.880 3.757 4.054 . 0 0 "[ . 1 . 2]" 1
1373 2 102 LEU QD 2 103 SER H . . 4.790 4.184 4.127 4.248 . 0 0 "[ . 1 . 2]" 1
1374 2 105 ALA H 2 108 VAL QG . . 5.440 4.921 4.826 4.961 . 0 0 "[ . 1 . 2]" 1
1375 2 106 TRP H 2 108 VAL QG . . 5.440 5.125 5.087 5.186 . 0 0 "[ . 1 . 2]" 1
1376 2 106 TRP HZ3 2 113 LEU QD . . 4.290 2.714 2.426 3.506 . 0 0 "[ . 1 . 2]" 1
1377 2 106 TRP HH2 2 113 LEU QB . . 5.340 4.344 4.087 4.586 . 0 0 "[ . 1 . 2]" 1
1378 2 107 SER H 2 107 SER QB . . 2.860 2.242 2.216 2.380 . 0 0 "[ . 1 . 2]" 1
1379 2 107 SER H 2 108 VAL QG . . 4.870 4.038 3.995 4.094 . 0 0 "[ . 1 . 2]" 1
1380 2 107 SER QB 2 108 VAL H . . 3.590 2.681 2.605 2.759 . 0 0 "[ . 1 . 2]" 1
1381 2 107 SER QB 2 108 VAL HB . . 5.340 4.677 4.627 4.774 . 0 0 "[ . 1 . 2]" 1
1382 2 108 VAL H 2 108 VAL QG . . 3.070 2.232 2.152 2.289 . 0 0 "[ . 1 . 2]" 1
1383 2 108 VAL QG 2 112 TYR H . . 4.460 4.250 4.069 4.389 . 0 0 "[ . 1 . 2]" 1
1384 2 112 TYR HB2 2 113 LEU QD . . 5.280 4.595 4.170 5.377 0.097 5 0 "[ . 1 . 2]" 1
1385 2 113 LEU H 2 113 LEU QB . . 3.010 2.274 2.164 2.385 . 0 0 "[ . 1 . 2]" 1
1386 2 113 LEU H 2 113 LEU QD . . 3.910 3.331 3.243 3.747 . 0 0 "[ . 1 . 2]" 1
1387 2 113 LEU HA 2 113 LEU QD . . 3.210 2.004 1.970 2.103 . 0 0 "[ . 1 . 2]" 1
1388 2 113 LEU QB 2 114 GLU H . . 3.910 2.947 2.782 3.181 . 0 0 "[ . 1 . 2]" 1
1389 2 113 LEU QD 2 114 GLU H . . 5.150 4.275 3.980 4.398 . 0 0 "[ . 1 . 2]" 1
1390 2 114 GLU H 2 114 GLU QB . . 3.290 2.355 2.235 2.730 . 0 0 "[ . 1 . 2]" 1
1391 1 1 DC H1' 1 1 DC H6 . . 3.700 3.714 3.585 3.733 0.033 11 0 "[ . 1 . 2]" 1
1392 1 1 DC H3' 1 1 DC H6 . . 3.800 3.804 2.357 3.921 0.121 19 0 "[ . 1 . 2]" 1
1393 1 1 DC H4' 1 1 DC H6 . . 4.400 4.465 4.412 4.588 0.188 15 0 "[ . 1 . 2]" 1
1394 1 1 DC Q2' 1 1 DC H6 . . 3.000 2.086 1.923 2.188 . 0 0 "[ . 1 . 2]" 1
1395 1 1 DC H1' 1 1 DC H3' . . 4.000 3.879 3.830 4.039 0.039 12 0 "[ . 1 . 2]" 1
1396 1 1 DC H1' 1 1 DC Q5' . . 4.200 4.031 3.750 4.269 0.069 7 0 "[ . 1 . 2]" 1
1397 1 1 DC H1' 1 1 DC Q2' . . 3.000 2.252 2.186 2.280 . 0 0 "[ . 1 . 2]" 1
1398 1 1 DC H3' 1 2 DT H6 . . 3.100 2.746 2.560 3.022 . 0 0 "[ . 1 . 2]" 1
1399 1 1 DC Q2' 1 2 DT H6 . . 4.200 3.837 3.055 4.270 0.070 9 0 "[ . 1 . 2]" 1
1400 1 1 DC H6 1 2 DT M7 . . 4.700 3.712 2.226 4.720 0.020 3 0 "[ . 1 . 2]" 1
1401 1 1 DC H4' 1 2 DT H6 . . 5.300 5.147 4.737 5.517 0.217 19 0 "[ . 1 . 2]" 1
1402 1 1 DC H3' 1 2 DT M7 . . 3.900 2.928 2.326 3.472 . 0 0 "[ . 1 . 2]" 1
1403 1 1 DC Q2' 1 2 DT M7 . . 3.900 3.047 1.994 3.871 . 0 0 "[ . 1 . 2]" 1
1404 1 2 DT H1' 1 2 DT H6 . . 3.800 3.731 3.721 3.742 . 0 0 "[ . 1 . 2]" 1
1405 1 2 DT Q2' 1 2 DT H6 . . 3.500 2.099 1.920 2.307 . 0 0 "[ . 1 . 2]" 1
1406 1 2 DT H3' 1 2 DT H6 . . 4.000 4.031 3.935 4.091 0.091 2 0 "[ . 1 . 2]" 1
1407 1 2 DT Q5' 1 2 DT H6 . . 4.000 3.425 2.055 4.016 0.016 17 0 "[ . 1 . 2]" 1
1408 1 2 DT H1' 1 2 DT H3' . . 4.000 3.811 3.766 3.863 . 0 0 "[ . 1 . 2]" 1
1409 1 2 DT H1' 1 2 DT H4' . . 4.000 3.179 2.932 3.500 . 0 0 "[ . 1 . 2]" 1
1410 1 2 DT H1' 1 2 DT Q2' . . 3.500 2.278 2.257 2.289 . 0 0 "[ . 1 . 2]" 1
1411 1 2 DT Q2' 1 2 DT H3' . . 3.200 2.215 2.202 2.229 . 0 0 "[ . 1 . 2]" 1
1412 1 2 DT H1' 1 3 DG H8 . . 3.200 3.199 2.701 3.329 0.129 1 0 "[ . 1 . 2]" 1
1413 1 2 DT H3' 1 3 DG H8 . . 4.900 4.793 4.149 5.022 0.122 16 0 "[ . 1 . 2]" 1
1414 1 2 DT H4' 1 3 DG H8 . . 4.800 4.304 3.780 4.780 . 0 0 "[ . 1 . 2]" 1
1415 1 2 DT Q2' 1 3 DG H8 . . 4.200 3.595 2.699 4.105 . 0 0 "[ . 1 . 2]" 1
1416 1 2 DT H3' 1 4 DT M7 . . 5.100 4.728 3.704 5.103 0.003 3 0 "[ . 1 . 2]" 1
1417 1 2 DT H1' 1 4 DT M7 . . 5.400 5.114 4.782 5.388 . 0 0 "[ . 1 . 2]" 1
1418 1 2 DT Q2' 1 4 DT M7 . . 4.400 4.159 3.106 4.472 0.072 20 0 "[ . 1 . 2]" 1
1419 1 3 DG H1' 1 3 DG H8 . . 3.900 3.820 3.745 3.865 . 0 0 "[ . 1 . 2]" 1
1420 1 3 DG Q2' 1 3 DG H8 . . 3.300 3.204 2.961 3.372 0.072 10 0 "[ . 1 . 2]" 1
1421 1 3 DG H3' 1 3 DG H8 . . 4.700 4.749 4.649 4.844 0.144 10 0 "[ . 1 . 2]" 1
1422 1 3 DG Q5' 1 3 DG H8 . . 4.000 3.002 2.267 3.305 . 0 0 "[ . 1 . 2]" 1
1423 1 3 DG H1' 1 3 DG H3' . . 3.900 3.890 3.828 3.935 0.035 13 0 "[ . 1 . 2]" 1
1424 1 3 DG H3' 1 3 DG Q5' . . 3.000 2.464 2.231 2.550 . 0 0 "[ . 1 . 2]" 1
1425 1 3 DG Q2' 1 3 DG H3' . . 3.000 2.222 2.213 2.230 . 0 0 "[ . 1 . 2]" 1
1426 1 3 DG H1' 1 3 DG H4' . . 3.900 3.485 3.323 3.675 . 0 0 "[ . 1 . 2]" 1
1427 1 3 DG H1' 1 3 DG Q2' . . 3.000 2.244 2.220 2.275 . 0 0 "[ . 1 . 2]" 1
1428 1 3 DG H1' 1 4 DT H6 . . 4.200 4.213 4.008 4.425 0.225 12 0 "[ . 1 . 2]" 1
1429 1 3 DG Q2' 1 4 DT H6 . . 3.000 2.110 2.056 2.171 . 0 0 "[ . 1 . 2]" 1
1430 1 3 DG H3' 1 4 DT H6 . . 4.100 4.162 3.928 4.270 0.170 6 0 "[ . 1 . 2]" 1
1431 1 3 DG H8 1 4 DT M7 . . 4.000 2.999 2.635 3.388 . 0 0 "[ . 1 . 2]" 1
1432 1 3 DG H3' 1 4 DT M7 . . 5.000 4.066 3.810 4.382 . 0 0 "[ . 1 . 2]" 1
1433 1 3 DG H1' 1 4 DT Q5' . . 4.500 4.537 4.244 4.633 0.133 4 0 "[ . 1 . 2]" 1
1434 1 3 DG Q5' 1 4 DT M7 . . 5.600 4.124 3.075 4.361 . 0 0 "[ . 1 . 2]" 1
1435 1 3 DG Q2' 1 4 DT Q5' . . 4.300 2.444 1.994 2.747 . 0 0 "[ . 1 . 2]" 1
1436 1 4 DT H1' 1 4 DT H6 . . 3.700 3.645 3.614 3.673 . 0 0 "[ . 1 . 2]" 1
1437 1 4 DT H3' 1 4 DT H6 . . 4.600 4.660 4.577 4.715 0.115 4 0 "[ . 1 . 2]" 1
1438 1 4 DT Q5' 1 4 DT H6 . . 4.000 2.945 2.479 3.139 . 0 0 "[ . 1 . 2]" 1
1439 1 4 DT Q2' 1 4 DT H6 . . 3.100 2.958 2.858 3.054 . 0 0 "[ . 1 . 2]" 1
1440 1 4 DT H6 1 4 DT M7 . . 3.000 2.226 2.212 2.237 . 0 0 "[ . 1 . 2]" 1
1441 1 4 DT H1' 1 4 DT H4' . . 3.200 3.092 2.999 3.285 0.085 10 0 "[ . 1 . 2]" 1
1442 1 4 DT H1' 1 4 DT Q5' . . 4.500 4.036 3.938 4.076 . 0 0 "[ . 1 . 2]" 1
1443 1 4 DT H1' 1 4 DT H3' . . 4.000 3.764 3.730 3.792 . 0 0 "[ . 1 . 2]" 1
1444 1 4 DT H3' 1 4 DT Q5' . . 3.000 2.173 2.051 2.235 . 0 0 "[ . 1 . 2]" 1
1445 1 4 DT Q2' 1 4 DT M7 . . 5.500 4.261 4.184 4.343 . 0 0 "[ . 1 . 2]" 1
1446 1 4 DT H3' 1 5 DG H8 . . 5.000 3.872 3.566 4.090 . 0 0 "[ . 1 . 2]" 1
1447 1 4 DT Q5' 1 5 DG H8 . . 5.600 4.467 4.205 5.174 . 0 0 "[ . 1 . 2]" 1
1448 1 4 DT H4' 1 5 DG H8 . . 5.300 5.345 5.115 5.413 0.113 3 0 "[ . 1 . 2]" 1
1449 1 5 DG H1' 1 5 DG H8 . . 3.900 3.915 3.908 3.922 0.022 1 0 "[ . 1 . 2]" 1
1450 1 5 DG Q2' 1 5 DG H8 . . 3.500 2.435 2.337 2.550 . 0 0 "[ . 1 . 2]" 1
1451 1 5 DG H3' 1 5 DG H8 . . 4.400 4.385 4.314 4.455 0.055 14 0 "[ . 1 . 2]" 1
1452 1 5 DG Q5' 1 5 DG H8 . . 3.800 3.836 3.779 3.888 0.088 4 0 "[ . 1 . 2]" 1
1453 1 5 DG H1' 1 5 DG H3' . . 4.000 3.833 3.821 3.854 . 0 0 "[ . 1 . 2]" 1
1454 1 5 DG H1' 1 5 DG H4' . . 3.900 3.281 3.214 3.340 . 0 0 "[ . 1 . 2]" 1
1455 1 5 DG Q2' 1 5 DG Q5' . . 3.300 3.323 3.292 3.366 0.066 4 0 "[ . 1 . 2]" 1
1456 1 5 DG H3' 1 6 DC H6 . . 4.300 4.364 4.272 4.399 0.099 7 0 "[ . 1 . 2]" 1
1457 1 5 DG H1' 1 6 DC H6 . . 3.100 2.954 2.856 3.116 0.016 10 0 "[ . 1 . 2]" 1
1458 1 5 DG Q2' 1 6 DC H6 . . 3.400 2.454 2.209 2.630 . 0 0 "[ . 1 . 2]" 1
1459 1 5 DG H3' 1 6 DC H5 . . 4.700 4.803 4.761 4.848 0.148 14 0 "[ . 1 . 2]" 1
1460 1 5 DG H4' 1 6 DC H5 . . 5.900 5.928 5.826 5.999 0.099 7 0 "[ . 1 . 2]" 1
1461 1 6 DC H1' 1 6 DC H6 . . 3.800 3.708 3.686 3.723 . 0 0 "[ . 1 . 2]" 1
1462 1 6 DC Q2' 1 6 DC H6 . . 3.000 2.596 2.506 2.747 . 0 0 "[ . 1 . 2]" 1
1463 1 6 DC H3' 1 6 DC H6 . . 4.500 4.380 4.296 4.497 . 0 0 "[ . 1 . 2]" 1
1464 1 6 DC Q5' 1 6 DC H6 . . 3.600 3.458 3.333 3.517 . 0 0 "[ . 1 . 2]" 1
1465 1 6 DC H1' 1 6 DC H3' . . 3.900 3.781 3.762 3.798 . 0 0 "[ . 1 . 2]" 1
1466 1 6 DC Q2' 1 6 DC H5 . . 5.000 4.353 4.300 4.431 . 0 0 "[ . 1 . 2]" 1
1467 1 6 DC H5 1 6 DC H6 . . 3.000 2.422 2.414 2.430 . 0 0 "[ . 1 . 2]" 1
1468 1 6 DC Q2' 1 7 DT H6 . . 3.000 2.945 2.870 3.025 0.025 2 0 "[ . 1 . 2]" 1
1469 1 6 DC H1' 1 7 DT H6 . . 4.500 4.595 4.513 4.705 0.205 9 0 "[ . 1 . 2]" 1
1470 1 6 DC H3' 1 7 DT H6 . . 3.500 3.291 2.901 3.472 . 0 0 "[ . 1 . 2]" 1
1471 1 6 DC H4' 1 7 DT H6 . . 5.000 5.062 4.948 5.103 0.103 2 0 "[ . 1 . 2]" 1
1472 1 6 DC H3' 1 7 DT Q5' . . 5.000 3.878 3.703 3.929 . 0 0 "[ . 1 . 2]" 1
1473 1 6 DC H3' 1 7 DT H4' . . 5.500 5.531 5.168 5.621 0.121 11 0 "[ . 1 . 2]" 1
1474 1 6 DC H3' 1 7 DT Q2' . . 4.500 2.696 2.214 2.904 . 0 0 "[ . 1 . 2]" 1
1475 1 6 DC H3' 1 7 DT M7 . . 5.000 3.850 3.668 3.999 . 0 0 "[ . 1 . 2]" 1
1476 1 6 DC Q2' 1 7 DT M7 . . 4.000 2.241 2.126 2.460 . 0 0 "[ . 1 . 2]" 1
1477 1 7 DT H1' 1 7 DT H6 . . 3.700 3.741 3.730 3.746 0.046 14 0 "[ . 1 . 2]" 1
1478 1 7 DT Q2' 1 7 DT H6 . . 2.800 2.081 2.023 2.179 . 0 0 "[ . 1 . 2]" 1
1479 1 7 DT Q5' 1 7 DT H6 . . 4.000 3.508 3.450 3.597 . 0 0 "[ . 1 . 2]" 1
1480 1 7 DT H4' 1 7 DT H6 . . 4.000 4.611 4.561 4.667 0.667 9 20 [********+*-*********] 1
1481 1 7 DT H6 1 7 DT M7 . . 3.000 2.206 2.200 2.212 . 0 0 "[ . 1 . 2]" 1
1482 1 7 DT H1' 1 7 DT H4' . . 4.000 3.363 3.290 3.397 . 0 0 "[ . 1 . 2]" 1
1483 1 7 DT H1' 1 7 DT M7 . . 5.800 5.171 5.164 5.178 . 0 0 "[ . 1 . 2]" 1
1484 1 7 DT H1' 1 8 DC H6 . . 2.500 2.301 2.167 2.554 0.054 5 0 "[ . 1 . 2]" 1
1485 1 7 DT Q2' 1 8 DC H6 . . 3.500 3.333 3.035 3.698 0.198 18 0 "[ . 1 . 2]" 1
1486 1 7 DT H3' 1 8 DC H6 . . 4.500 4.537 4.236 4.619 0.119 10 0 "[ . 1 . 2]" 1
1487 1 7 DT H4' 1 8 DC H6 . . 4.100 3.740 2.887 4.153 0.053 15 0 "[ . 1 . 2]" 1
1488 1 7 DT H1' 1 8 DC Q5' . . 5.000 4.109 2.290 5.102 0.102 19 0 "[ . 1 . 2]" 1
1489 1 7 DT H1' 1 8 DC Q2' . . 4.000 2.241 1.977 2.650 . 0 0 "[ . 1 . 2]" 1
1490 1 7 DT H1' 1 8 DC H3' . . 3.900 3.992 3.924 4.054 0.154 12 0 "[ . 1 . 2]" 1
1491 1 8 DC H1' 1 8 DC H6 . . 3.700 3.726 3.688 3.739 0.039 4 0 "[ . 1 . 2]" 1
1492 1 8 DC Q5' 1 8 DC H6 . . 3.500 3.123 1.995 3.737 0.237 19 0 "[ . 1 . 2]" 1
1493 1 8 DC Q2' 1 8 DC H6 . . 3.300 2.207 1.891 2.501 . 0 0 "[ . 1 . 2]" 1
1494 1 8 DC H1' 1 8 DC H3' . . 3.800 3.879 3.842 4.039 0.239 9 0 "[ . 1 . 2]" 1
1495 1 8 DC H1' 1 8 DC H4' . . 3.700 3.354 3.225 3.809 0.109 9 0 "[ . 1 . 2]" 1
1496 1 8 DC H1' 1 8 DC Q2' . . 3.000 2.247 2.162 2.268 . 0 0 "[ . 1 . 2]" 1
1497 1 8 DC H3' 1 9 DA H8 . . 4.300 4.348 4.078 4.535 0.235 14 0 "[ . 1 . 2]" 1
1498 1 8 DC Q5' 1 9 DA H8 . . 4.300 4.363 4.062 4.551 0.251 15 0 "[ . 1 . 2]" 1
1499 1 8 DC Q2' 1 9 DA H8 . . 4.200 4.040 2.998 4.282 0.082 4 0 "[ . 1 . 2]" 1
1500 1 8 DC H1' 1 9 DA H8 . . 4.000 3.110 2.030 3.551 . 0 0 "[ . 1 . 2]" 1
1501 1 9 DA H1' 1 9 DA H8 . . 3.800 3.886 3.768 3.925 0.125 4 0 "[ . 1 . 2]" 1
1502 1 9 DA Q5' 1 9 DA H8 . . 4.000 3.284 2.000 4.057 0.057 15 0 "[ . 1 . 2]" 1
1503 1 9 DA Q2' 1 9 DA H8 . . 3.200 2.273 1.948 3.194 . 0 0 "[ . 1 . 2]" 1
1504 2 113 LEU HA 2 113 LEU MD2 . . 4.000 2.188 1.977 3.868 . 0 0 "[ . 1 . 2]" 1
1505 2 59 TRP HZ3 2 104 LYS QB . . 3.500 2.287 2.129 2.579 . 0 0 "[ . 1 . 2]" 1
1506 2 77 LEU MD2 2 98 PHE HZ . . 5.000 3.834 3.459 4.272 . 0 0 "[ . 1 . 2]" 1
1507 2 63 LEU QD 2 109 VAL QG . . 5.000 2.924 2.606 3.272 . 0 0 "[ . 1 . 2]" 1
1508 2 67 LYS QG 2 109 VAL QG . . 5.000 2.679 1.955 3.375 . 0 0 "[ . 1 . 2]" 1
1509 2 25 LYS QG 2 79 LEU MD1 . . 5.800 4.404 3.401 5.077 . 0 0 "[ . 1 . 2]" 1
1510 2 21 VAL QG 2 75 LYS QG . . 4.700 3.113 2.081 3.662 . 0 0 "[ . 1 . 2]" 1
1511 2 25 LYS QE 2 79 LEU MD1 . . 5.600 4.783 3.610 5.639 0.039 9 0 "[ . 1 . 2]" 1
1512 2 62 ILE QG 2 76 ILE MG . . 4.500 2.332 2.144 2.854 . 0 0 "[ . 1 . 2]" 1
1513 2 37 ILE MD 2 61 VAL QG . . 4.000 2.160 2.026 2.325 . 0 0 "[ . 1 . 2]" 1
1514 2 25 LYS QB 2 26 GLU QB . . 5.400 4.669 3.967 5.347 . 0 0 "[ . 1 . 2]" 1
1515 2 16 ASP QB 2 18 GLY QA . . 5.000 4.245 4.037 4.485 . 0 0 "[ . 1 . 2]" 1
1516 2 16 ASP HA 2 18 GLY QA . . 5.500 5.298 5.186 5.388 . 0 0 "[ . 1 . 2]" 1
1517 2 17 SER HA 2 18 GLY QA . . 4.500 4.244 4.180 4.282 . 0 0 "[ . 1 . 2]" 1
1518 2 112 TYR QB 2 115 ALA MB . . 5.400 5.055 4.732 5.455 0.055 10 0 "[ . 1 . 2]" 1
1519 2 113 LEU HA 2 115 ALA MB . . 5.500 4.265 3.845 4.654 . 0 0 "[ . 1 . 2]" 1
1520 2 104 LYS HA 2 107 SER HA . . 5.200 5.212 5.123 5.272 0.072 17 0 "[ . 1 . 2]" 1
1521 2 108 VAL HA 2 111 LYS QB . . 4.300 2.792 2.496 4.098 . 0 0 "[ . 1 . 2]" 1
1522 2 8 LEU QB 2 11 GLU QB . . 5.300 3.930 3.482 4.423 . 0 0 "[ . 1 . 2]" 1
1523 2 14 LYS QG 2 15 ARG QB . . 6.000 5.689 4.775 6.029 0.029 5 0 "[ . 1 . 2]" 1
1524 2 15 ARG QB 2 71 THR MG . . 5.800 2.590 2.231 3.042 . 0 0 "[ . 1 . 2]" 1
1525 2 30 THR HA 2 31 LYS QB . . 5.500 5.411 5.333 5.451 . 0 0 "[ . 1 . 2]" 1
1526 2 71 THR MG 2 106 TRP HE3 . . 5.100 2.161 2.049 2.269 . 0 0 "[ . 1 . 2]" 1
1527 2 47 TYR QB 2 83 ASP QB . . 5.600 3.278 2.311 5.050 . 0 0 "[ . 1 . 2]" 1
1528 1 5 DG Q5' 2 56 ARG QB . . 5.900 4.713 3.918 5.645 . 0 0 "[ . 1 . 2]" 1
1529 1 5 DG H4' 2 56 ARG QG . . 5.300 3.708 3.048 4.669 . 0 0 "[ . 1 . 2]" 1
1530 1 5 DG Q5' 2 56 ARG QD . . 4.900 4.089 2.254 4.952 0.052 10 0 "[ . 1 . 2]" 1
1531 1 6 DC Q5' 2 56 ARG QD . . 5.500 4.566 3.630 5.522 0.022 12 0 "[ . 1 . 2]" 1
1532 1 6 DC Q5' 2 56 ARG QG . . 4.800 3.741 2.992 4.522 . 0 0 "[ . 1 . 2]" 1
1533 1 5 DG H3' 2 56 ARG QD . . 5.200 4.223 2.391 4.799 . 0 0 "[ . 1 . 2]" 1
1534 1 6 DC H1' 2 59 TRP HZ2 . . 4.100 3.751 3.465 3.908 . 0 0 "[ . 1 . 2]" 1
1535 1 5 DG H1' 2 59 TRP HZ2 . . 3.400 2.955 2.691 3.212 . 0 0 "[ . 1 . 2]" 1
1536 1 5 DG Q5' 2 59 TRP HD1 . . 5.000 4.409 4.331 4.477 . 0 0 "[ . 1 . 2]" 1
1537 1 6 DC Q5' 2 59 TRP HD1 . . 3.100 2.039 1.982 2.142 . 0 0 "[ . 1 . 2]" 1
1538 1 5 DG H3' 2 59 TRP HD1 . . 4.600 4.668 4.619 4.702 0.102 12 0 "[ . 1 . 2]" 1
1539 1 6 DC Q5' 2 59 TRP HE1 . . 3.300 2.224 2.090 2.357 . 0 0 "[ . 1 . 2]" 1
1540 1 5 DG Q5' 2 59 TRP HE1 . . 5.600 5.208 4.938 5.415 . 0 0 "[ . 1 . 2]" 1
1541 1 5 DG H1' 2 59 TRP HE1 . . 3.000 2.988 2.763 3.102 0.102 12 0 "[ . 1 . 2]" 1
1542 1 6 DC H1' 2 59 TRP HE1 . . 3.500 3.621 3.555 3.666 0.166 12 0 "[ . 1 . 2]" 1
1543 1 5 DG Q2' 2 59 TRP HE1 . . 4.500 4.138 4.047 4.207 . 0 0 "[ . 1 . 2]" 1
1544 1 6 DC Q5' 2 60 HIS HD2 . . 5.400 4.734 4.421 4.952 . 0 0 "[ . 1 . 2]" 1
1545 1 6 DC H4' 2 60 HIS HE1 . . 3.600 3.576 3.379 3.645 0.045 18 0 "[ . 1 . 2]" 1
1546 1 6 DC H3' 2 60 HIS HE1 . . 3.300 3.297 3.150 3.364 0.064 19 0 "[ . 1 . 2]" 1
1547 1 6 DC Q2' 2 60 HIS HE1 . . 5.100 4.962 4.840 5.026 . 0 0 "[ . 1 . 2]" 1
1548 1 7 DT M7 2 63 LEU QD . . 5.000 3.899 3.512 4.290 . 0 0 "[ . 1 . 2]" 1
1549 1 6 DC Q2' 2 63 LEU QD . . 5.500 4.001 3.823 4.228 . 0 0 "[ . 1 . 2]" 1
1550 1 6 DC H4' 2 63 LEU QD . . 4.900 2.238 2.079 2.536 . 0 0 "[ . 1 . 2]" 1
1551 1 6 DC H3' 2 63 LEU QD . . 5.700 4.267 4.022 4.589 . 0 0 "[ . 1 . 2]" 1
1552 1 6 DC H1' 2 63 LEU QD . . 4.400 2.832 2.620 3.146 . 0 0 "[ . 1 . 2]" 1
1553 1 5 DG H1' 2 63 LEU QD . . 5.800 4.287 4.182 4.421 . 0 0 "[ . 1 . 2]" 1
1554 1 7 DT M7 2 67 LYS QE . . 5.000 4.878 3.867 5.042 0.042 2 0 "[ . 1 . 2]" 1
1555 1 7 DT M7 2 67 LYS QD . . 5.900 5.444 4.439 6.162 0.262 5 0 "[ . 1 . 2]" 1
1556 1 4 DT M7 2 97 TYR QD . . 5.300 3.800 3.595 3.885 . 0 0 "[ . 1 . 2]" 1
1557 1 4 DT M7 2 97 TYR QB . . 4.000 2.094 1.987 2.186 . 0 0 "[ . 1 . 2]" 1
1558 1 4 DT Q2' 2 97 TYR HD2 . . 3.000 2.198 2.118 2.311 . 0 0 "[ . 1 . 2]" 1
1559 1 4 DT H3' 2 97 TYR HD2 . . 4.300 4.386 4.314 4.497 0.197 9 0 "[ . 1 . 2]" 1
1560 1 4 DT M7 2 100 ILE MD . . 5.500 3.751 3.423 4.019 . 0 0 "[ . 1 . 2]" 1
1561 1 3 DG Q2' 2 100 ILE MD . . 5.400 3.942 3.678 4.301 . 0 0 "[ . 1 . 2]" 1
1562 1 4 DT Q2' 2 100 ILE MD . . 4.800 3.563 3.328 3.745 . 0 0 "[ . 1 . 2]" 1
1563 1 4 DT Q5' 2 100 ILE MD . . 4.900 3.087 2.791 3.269 . 0 0 "[ . 1 . 2]" 1
1564 1 4 DT H3' 2 100 ILE MD . . 4.200 4.229 4.155 4.272 0.072 10 0 "[ . 1 . 2]" 1
1565 1 3 DG H3' 2 100 ILE MD . . 4.100 3.890 3.413 4.126 0.026 15 0 "[ . 1 . 2]" 1
1566 1 4 DT Q2' 2 100 ILE MG . . 4.400 3.265 3.084 3.423 . 0 0 "[ . 1 . 2]" 1
1567 1 4 DT Q2' 2 100 ILE QG . . 5.400 5.320 5.106 5.443 0.043 6 0 "[ . 1 . 2]" 1
1568 1 4 DT Q5' 2 100 ILE QG . . 5.000 4.997 4.683 5.118 0.118 13 0 "[ . 1 . 2]" 1
1569 1 4 DT Q5' 2 100 ILE MG . . 4.600 3.487 2.997 3.723 . 0 0 "[ . 1 . 2]" 1
1570 1 4 DT H4' 2 100 ILE MG . . 5.600 5.621 5.407 5.693 0.093 17 0 "[ . 1 . 2]" 1
1571 1 4 DT H6 2 100 ILE MD . . 4.700 4.051 3.801 4.366 . 0 0 "[ . 1 . 2]" 1
1572 1 4 DT M7 2 94 THR MG . . 5.400 4.674 4.269 5.438 0.038 7 0 "[ . 1 . 2]" 1
1573 1 2 DT H4' 2 96 LYS QE . . 5.400 4.890 3.912 5.501 0.101 7 0 "[ . 1 . 2]" 1
1574 1 2 DT H3' 2 96 LYS QE . . 4.900 3.833 2.321 4.916 0.016 5 0 "[ . 1 . 2]" 1
1575 1 2 DT H3' 2 96 LYS QD . . 5.700 3.625 2.373 5.462 . 0 0 "[ . 1 . 2]" 1
1576 1 5 DG H8 2 104 LYS QE . . 5.200 5.280 5.224 5.328 0.128 4 0 "[ . 1 . 2]" 1
1577 1 5 DG H8 2 104 LYS QG . . 5.200 4.738 4.291 5.018 . 0 0 "[ . 1 . 2]" 1
1578 1 6 DC H1' 2 108 VAL QG . . 5.000 3.352 2.809 3.614 . 0 0 "[ . 1 . 2]" 1
1579 1 7 DT M7 2 108 VAL MG1 . . 4.500 3.550 2.725 4.090 . 0 0 "[ . 1 . 2]" 1
1580 1 7 DT M7 2 108 VAL MG2 . . 5.900 4.513 3.845 5.031 . 0 0 "[ . 1 . 2]" 1
1581 1 7 DT M7 2 112 TYR HE2 . . 3.600 3.366 2.522 3.643 0.043 9 0 "[ . 1 . 2]" 1
1582 1 7 DT M7 2 112 TYR HE1 . . 5.700 5.527 4.805 5.742 0.042 13 0 "[ . 1 . 2]" 1
1583 1 5 DG H1 2 108 VAL QG . . 4.500 4.166 4.036 4.293 . 0 0 "[ . 1 . 2]" 1
1584 1 4 DT H3 2 85 LYS QG . . 3.100 2.558 2.022 3.343 0.243 12 0 "[ . 1 . 2]" 1
1585 1 4 DT H3 2 85 LYS QE . . 3.600 3.007 1.810 3.766 0.166 8 0 "[ . 1 . 2]" 1
1586 1 4 DT H3 2 85 LYS QD . . 3.900 3.415 1.608 4.077 0.177 1 0 "[ . 1 . 2]" 1
1587 1 4 DT H3 2 85 LYS QB . . 3.300 1.907 1.692 2.043 . 0 0 "[ . 1 . 2]" 1
1588 1 4 DT H3 2 97 TYR QB . . 4.600 3.917 3.621 4.342 . 0 0 "[ . 1 . 2]" 1
1589 1 4 DT H3 2 85 LYS HA . . 4.500 4.393 4.068 4.691 0.191 6 0 "[ . 1 . 2]" 1
1590 1 4 DT H3 2 55 SER QB . . 4.400 4.460 3.975 5.220 0.820 6 2 "[- .+ 1 . 2]" 1
1591 1 4 DT H3 2 97 TYR QE . . 4.200 3.998 3.620 4.214 0.014 11 0 "[ . 1 . 2]" 1
1592 1 4 DT H3 2 97 TYR QD . . 4.200 3.838 3.569 4.078 . 0 0 "[ . 1 . 2]" 1
1593 1 5 DG H1 2 104 LYS QZ . . 4.600 3.245 3.141 3.328 . 0 0 "[ . 1 . 2]" 1
1594 1 4 DT H3 2 86 ALA HA . . 5.800 5.899 5.774 6.030 0.230 3 0 "[ . 1 . 2]" 1
1595 1 4 DT H3 2 85 LYS H . . 4.900 4.824 4.465 5.135 0.235 11 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 106
_Distance_constraint_stats_list.Viol_count 2120
_Distance_constraint_stats_list.Viol_total 26570.439
_Distance_constraint_stats_list.Viol_max 1.972
_Distance_constraint_stats_list.Viol_rms 0.2501
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6267
_Distance_constraint_stats_list.Viol_average_violations_only 0.6267
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
2 1 THR 29.910 1.016 17 20 [*-**************+***]
2 2 VAL 25.666 0.864 20 20 [*****************-*+]
2 3 VAL 31.479 1.009 9 20 [**-*****+***********]
2 4 GLU 26.809 0.979 16 20 [****-**********+****]
2 5 PHE 51.544 1.016 17 20 [***********-****+***]
2 6 GLU 56.983 1.023 5 20 [****+************-**]
2 7 GLU 59.839 1.009 9 20 [******-*+***********]
2 8 LEU 41.130 0.979 16 20 [***********-***+****]
2 9 ARG 51.126 0.939 12 20 [***********+********]
2 10 LYS 65.342 1.024 11 20 [******-***+*********]
2 11 GLU 59.515 0.925 1 20 [+*****-*************]
2 12 LEU 14.321 0.660 14 11 "[ ** .* ****-*+. * 2]"
2 13 VAL 29.493 0.939 12 20 [***********+*-******]
2 14 LYS 34.024 1.024 11 20 [-*********+*********]
2 15 ARG 31.155 0.925 1 20 [+**-****************]
2 21 VAL 18.860 0.985 4 19 [-**+***************2]
2 23 LYS 26.071 1.004 19 20 [-*****************+*]
2 24 ILE 26.041 0.845 5 20 [****+***-***********]
2 25 LYS 38.949 0.985 4 20 [***+****************]
2 26 GLU 38.914 1.972 14 20 [-************+******]
2 27 GLU 26.071 1.004 19 20 [-*****************+*]
2 28 ILE 26.041 0.845 5 20 [****+***-***********]
2 29 CYS 20.089 0.910 18 18 "[***-.********** *+**]"
2 30 THR 38.914 1.972 14 20 [-************+******]
2 35 LYS 22.712 0.962 11 19 "[****-*****+ ********]"
2 36 LEU 33.856 1.063 7 20 [******+********-****]
2 37 ILE 14.342 0.691 6 11 "[* * *+***1 ** . * -2]"
2 38 LYS 26.748 1.012 17 20 [*-**************+***]
2 39 GLU 22.712 0.962 11 19 "[****-*****+ ********]"
2 40 ILE 33.856 1.063 7 20 [******+********-****]
2 41 ILE 14.342 0.691 6 11 "[* * *+***1 ** . * -2]"
2 42 CYS 26.748 1.012 17 20 [*-**************+***]
2 54 ARG 25.530 1.024 16 19 "[-****** *******+****]"
2 55 SER 34.504 1.067 1 20 [+**************-****]
2 56 ARG 12.323 0.594 8 6 "[ .- + * **. *2]"
2 57 GLY 31.480 1.051 20 20 [****************-**+]
2 58 ASP 42.557 1.024 16 20 [-**************+****]
2 59 TRP 57.881 1.067 1 20 [+******-************]
2 60 HIS 44.329 1.069 7 20 [*****-+*************]
2 61 VAL 45.854 1.051 20 20 [****************-**+]
2 62 ILE 41.957 0.959 11 20 [***-******+*********]
2 63 LEU 38.223 0.836 14 20 [*******-*****+******]
2 64 TYR 66.997 1.069 7 20 [******+-************]
2 65 LEU 14.374 0.771 9 15 "[*-* ** +******* * *]"
2 66 MET 24.930 0.959 11 20 [***-******+*********]
2 67 LYS 14.846 0.615 4 7 "[* +. * 1* * - * 2]"
2 68 HIS 34.991 1.037 11 20 [**********+***-*****]
2 73 PRO 33.741 1.123 20 20 [*****-*************+]
2 74 ASP 16.974 0.867 6 12 "[ ***.+ *** - .****2]"
2 75 LYS 28.179 0.963 7 20 [*-****+*************]
2 77 LEU 33.741 1.123 20 20 [*****-*************+]
2 78 GLU 16.974 0.867 6 12 "[ ***.+ *** - .****2]"
2 79 LEU 28.179 0.963 7 20 [*-****+*************]
2 92 TRP 23.684 1.026 7 19 "[* ****+*-***********]"
2 93 ASN 27.161 1.057 19 20 [******************+-]
2 94 THR 21.582 0.993 9 17 "[** ** **+- *********]"
2 95 GLN 29.437 1.002 1 20 [+*********-*********]
2 96 LYS 54.334 1.026 7 20 [******+*-***********]
2 97 TYR 47.894 1.057 19 20 [******************+-]
2 98 PHE 57.068 1.095 1 20 [+********-**********]
2 99 VAL 45.791 1.002 1 20 [+-******************]
2 100 ILE 45.032 0.986 4 20 [***+**********-*****]
2 101 THR 36.781 0.771 6 20 [*****+**-***********]
2 102 LEU 64.827 1.095 1 20 [+****************-**]
2 103 SER 46.542 0.905 8 20 [*-*****+************]
2 104 LYS 45.866 0.997 8 20 [*******+******-*****]
2 105 ALA 34.226 0.799 15 20 [*******-******+*****]
2 106 TRP 39.139 0.975 7 20 [******+**********-**]
2 107 SER 60.159 0.948 14 20 [**-**********+******]
2 108 VAL 56.952 0.997 8 20 [*******+*******-****]
2 109 VAL 36.086 0.799 15 20 [*******-******+*****]
2 110 LYS 34.384 0.947 2 18 "[ +***-********** ***]"
2 111 LYS 29.971 0.948 14 20 [**-**********+******]
2 112 TYR 25.467 0.936 9 20 [********+******-****]
2 113 LEU 17.907 0.608 1 18 "[+***.****-* ********]"
2 114 GLU 24.586 0.947 2 18 "[ +***-********** ***]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 6 GLU O 2 10 LYS N . . 2.400 3.334 3.105 3.423 1.023 5 20 [****+**************-] 2
2 2 6 GLU O 2 10 LYS H . . 1.800 2.432 2.168 2.504 0.704 2 19 [*+****-************2] 2
3 2 5 PHE O 2 9 ARG N . . 2.400 3.053 2.902 3.234 0.834 10 20 [*********+*-********] 2
4 2 5 PHE O 2 9 ARG H . . 1.800 2.229 2.025 2.429 0.629 10 7 "[ * *.* *-+ * 2]" 2
5 2 4 GLU O 2 8 LEU N . . 2.400 3.222 3.092 3.379 0.979 16 20 [**************-+****] 2
6 2 4 GLU O 2 8 LEU H . . 1.800 2.319 2.161 2.441 0.641 16 12 "[ * *- * ** **.+** *]" 2
7 2 3 VAL O 2 7 GLU N . . 2.400 3.312 3.145 3.409 1.009 9 20 [**-*****+***********] 2
8 2 3 VAL O 2 7 GLU H . . 1.800 2.462 2.364 2.529 0.729 9 20 [**-*****+***********] 2
9 2 2 VAL O 2 6 GLU N . . 2.400 3.172 3.075 3.264 0.864 20 20 [******************-+] 2
10 2 2 VAL O 2 6 GLU H . . 1.800 2.312 2.164 2.423 0.623 9 13 "[* **** +1 ***.**- *]" 2
11 2 1 THR O 2 5 PHE N . . 2.400 3.285 3.083 3.416 1.016 17 20 [***********-****+***] 2
12 2 1 THR O 2 5 PHE H . . 1.800 2.410 2.237 2.510 0.710 17 17 "[ -********* ****+**2]" 2
13 2 11 GLU O 2 15 ARG N . . 2.400 3.262 3.031 3.325 0.925 1 20 [+*****-*************] 2
14 2 11 GLU O 2 15 ARG H . . 1.800 2.496 2.201 2.598 0.798 11 19 "[***-** ***+*********]" 2
15 2 10 LYS O 2 14 LYS N . . 2.400 3.373 3.226 3.424 1.024 11 20 [-*********+*********] 2
16 2 10 LYS O 2 14 LYS H . . 1.800 2.529 2.434 2.564 0.764 5 20 [-***+***************] 2
17 2 9 ARG O 2 13 VAL N . . 2.400 3.269 3.144 3.339 0.939 12 20 [-**********+********] 2
18 2 9 ARG O 2 13 VAL H . . 1.800 2.405 2.221 2.490 0.690 5 18 "[ ***+***** **-******]" 2
19 2 8 LEU O 2 12 LEU N . . 2.400 2.932 2.858 3.060 0.660 14 11 "[ ** .* ****-*+. * 2]" 2
20 2 8 LEU O 2 12 LEU H . . 1.800 1.984 1.884 2.160 0.360 14 0 "[ . 1 . 2]" 2
21 2 7 GLU O 2 11 GLU N . . 2.400 3.208 3.024 3.271 0.871 17 20 [**-*************+***] 2
22 2 7 GLU O 2 11 GLU H . . 1.800 2.410 2.184 2.478 0.678 18 18 "[** ***-*** ******+**]" 2
23 2 26 GLU O 2 30 THR N . . 2.400 3.503 3.164 4.372 1.972 14 20 [******-******+******] 2
24 2 26 GLU O 2 30 THR H . . 1.800 2.642 2.247 3.556 1.756 14 19 "[-***** ******+******]" 2
25 2 25 LYS O 2 29 CYS N . . 2.400 3.052 2.824 3.310 0.910 18 18 "[***-.********** *+**]" 2
26 2 25 LYS O 2 29 CYS H . . 1.800 2.152 1.896 2.453 0.653 15 5 "[ . * -1 *+ * 2]" 2
27 2 24 ILE O 2 28 ILE N . . 2.400 3.122 2.961 3.245 0.845 5 20 [****+*****-*********] 2
28 2 24 ILE O 2 28 ILE H . . 1.800 2.381 2.231 2.478 0.678 5 17 "[****+***-* * **** **]" 2
29 2 23 LYS O 2 27 GLU N . . 2.400 3.190 2.972 3.404 1.004 19 20 [*******-**********+*] 2
30 2 23 LYS O 2 27 GLU H . . 1.800 2.314 2.076 2.540 0.740 19 12 "[-* * 1* ******+*]" 2
31 2 21 VAL O 2 25 LYS N . . 2.400 3.036 2.792 3.385 0.985 4 19 [-**+***************2] 2
32 2 21 VAL O 2 25 LYS H . . 1.800 2.107 1.872 2.447 0.647 4 3 "[ +* 1 - 2]" 2
33 2 38 LYS O 2 42 CYS N . . 2.400 3.158 2.905 3.412 1.012 17 20 [*-**************+***] 2
34 2 38 LYS O 2 42 CYS H . . 1.800 2.379 2.079 2.528 0.728 16 16 "[* **-* * ** ***+****]" 2
35 2 37 ILE O 2 41 ILE N . . 2.400 2.926 2.772 3.091 0.691 6 11 "[* * *+***1 ** . * -2]" 2
36 2 37 ILE O 2 41 ILE H . . 1.800 1.991 1.855 2.169 0.369 6 0 "[ . 1 . 2]" 2
37 2 36 LEU O 2 40 ILE N . . 2.400 3.366 3.201 3.463 1.063 7 20 [******+********-****] 2
38 2 36 LEU O 2 40 ILE H . . 1.800 2.527 2.435 2.608 0.808 12 20 [***********+***-****] 2
39 2 35 LYS O 2 39 GLU N . . 2.400 3.129 2.885 3.362 0.962 11 19 "[**********+ ****-***]" 2
40 2 35 LYS O 2 39 GLU H . . 1.800 2.207 1.905 2.454 0.654 11 8 "[ - * *+ **. * *]" 2
41 2 64 TYR O 2 68 HIS N . . 2.400 3.257 3.070 3.397 0.997 11 20 [**********+***-*****] 2
42 2 64 TYR O 2 68 HIS H . . 1.800 2.692 2.494 2.837 1.037 11 20 [**********+***-*****] 2
43 2 63 LEU O 2 67 LYS N . . 2.400 2.888 2.772 3.015 0.615 4 7 "[* +. * 1* * - * 2]" 2
44 2 63 LEU O 2 67 LYS H . . 1.800 2.054 1.921 2.202 0.402 4 0 "[ . 1 . 2]" 2
45 2 62 ILE O 2 66 MET N . . 2.400 3.180 3.045 3.359 0.959 11 20 [**********+*******-*] 2
46 2 62 ILE O 2 66 MET H . . 1.800 2.266 2.162 2.441 0.641 11 5 "[ -. * 1+ * * 2]" 2
47 2 61 VAL O 2 65 LEU N . . 2.400 2.941 2.882 3.171 0.771 9 15 "[*-* ** +******* * *]" 2
48 2 61 VAL O 2 65 LEU H . . 1.800 1.978 1.906 2.228 0.428 9 0 "[ . 1 . 2]" 2
49 2 60 HIS O 2 64 TYR N . . 2.400 3.364 3.180 3.469 1.069 7 20 [******+*******-*****] 2
50 2 60 HIS O 2 64 TYR H . . 1.800 2.436 2.229 2.544 0.744 7 19 [******+-******.*****] 2
51 2 59 TRP O 2 63 LEU N . . 2.400 3.146 3.075 3.236 0.836 14 20 [*************+***-**] 2
52 2 59 TRP O 2 63 LEU H . . 1.800 2.223 2.142 2.321 0.521 14 2 "[ . - 1 +. 2]" 2
53 2 58 ASP O 2 62 ILE N . . 2.400 2.990 2.833 3.134 0.734 15 17 "[***** *******+***-2]" 2
54 2 58 ASP O 2 62 ILE H . . 1.800 2.061 1.889 2.208 0.408 15 0 "[ . 1 . 2]" 2
55 2 57 GLY O 2 61 VAL N . . 2.400 3.371 3.246 3.451 1.051 20 20 [*************-*****+] 2
56 2 57 GLY O 2 61 VAL H . . 1.800 2.403 2.275 2.483 0.683 19 18 "[************ **-*+*]" 2
57 2 56 ARG O 2 60 HIS N . . 2.400 2.868 2.746 2.994 0.594 8 6 "[ .- + * **. *2]" 2
58 2 56 ARG O 2 60 HIS H . . 1.800 1.948 1.808 2.103 0.303 14 0 "[ . 1 . 2]" 2
59 2 55 SER O 2 59 TRP N . . 2.400 3.410 3.325 3.467 1.067 1 20 [+**************-****] 2
60 2 55 SER O 2 59 TRP H . . 1.800 2.515 2.447 2.559 0.759 5 20 [****+**********-****] 2
61 2 54 ARG O 2 58 ASP N . . 2.400 3.229 2.860 3.424 1.024 16 19 "[******* ******-+****]" 2
62 2 54 ARG O 2 58 ASP H . . 1.800 2.248 1.881 2.442 0.642 18 8 "[- *. * * .* +**]" 2
63 2 75 LYS O 2 79 LEU N . . 2.400 3.096 2.951 3.363 0.963 7 20 [****-*+*************] 2
64 2 75 LYS O 2 79 LEU H . . 1.800 2.513 2.337 2.585 0.785 14 20 [*-***********+******] 2
65 2 74 ASP O 2 78 GLU N . . 2.400 2.970 2.738 3.267 0.867 6 12 "[ ***.+ *** - .****2]" 2
66 2 74 ASP O 2 78 GLU H . . 1.800 2.079 1.818 2.431 0.631 10 4 "[ * -.* + . 2]" 2
67 2 73 PRO O 2 77 LEU N . . 2.400 3.398 3.086 3.523 1.123 20 20 [*-*****************+] 2
68 2 73 PRO O 2 77 LEU H . . 1.800 2.489 2.191 2.593 0.793 7 19 "[* ***-+*************]" 2
69 2 110 LYS O 2 114 GLU N . . 2.400 3.128 2.839 3.347 0.947 2 18 "[ +*********-**** ***]" 2
70 2 110 LYS O 2 114 GLU H . . 1.800 2.301 1.909 2.500 0.700 20 14 "[ * *.-***** * ** **+]" 2
71 2 109 VAL O 2 113 LEU N . . 2.400 2.926 2.877 3.008 0.608 1 17 "[+* *.****-* ********]" 2
72 2 109 VAL O 2 113 LEU H . . 1.800 2.169 2.054 2.323 0.523 1 2 "[+ - . 1 . 2]" 2
73 2 108 VAL O 2 112 TYR N . . 2.400 3.155 3.063 3.336 0.936 9 20 [*******-+***********] 2
74 2 108 VAL O 2 112 TYR H . . 1.800 2.318 2.129 2.486 0.686 9 11 "[ ** .* +1** **-* *2]" 2
75 2 107 SER O 2 111 LYS N . . 2.400 3.284 3.232 3.348 0.948 14 20 [******-******+******] 2
76 2 107 SER O 2 111 LYS H . . 1.800 2.414 2.355 2.444 0.644 4 20 [**-+****************] 2
77 2 106 TRP O 2 110 LYS N . . 2.400 2.819 2.756 2.850 0.450 10 0 "[ . 1 . 2]" 2
78 2 106 TRP O 2 110 LYS H . . 1.800 1.871 1.805 1.922 0.122 14 0 "[ . 1 . 2]" 2
79 2 105 ALA O 2 109 VAL N . . 2.400 3.030 2.881 3.199 0.799 15 19 "[*******-******+* ***]" 2
80 2 105 ALA O 2 109 VAL H . . 1.800 2.078 1.934 2.235 0.435 15 0 "[ . 1 . 2]" 2
81 2 104 LYS O 2 108 VAL N . . 2.400 3.337 3.186 3.397 0.997 8 20 [*******+-***********] 2
82 2 104 LYS O 2 108 VAL H . . 1.800 2.438 2.280 2.482 0.682 8 19 "[******-+ ***********]" 2
83 2 103 SER O 2 107 SER N . . 2.400 3.262 3.231 3.305 0.905 8 20 [****-**+************] 2
84 2 103 SER O 2 107 SER H . . 1.800 2.447 2.422 2.487 0.687 17 20 [**-*************+***] 2
85 2 102 LEU O 2 106 TRP N . . 2.400 3.294 3.154 3.375 0.975 7 20 [*-****+*************] 2
86 2 102 LEU O 2 106 TRP H . . 1.800 2.373 2.230 2.464 0.664 7 16 "[* *** +* 1*******-**]" 2
87 2 101 THR O 2 105 ALA N . . 2.400 2.961 2.895 3.081 0.681 10 19 "[********-+ *********]" 2
88 2 101 THR O 2 105 ALA H . . 1.800 2.042 1.963 2.219 0.419 6 0 "[ . 1 . 2]" 2
89 2 100 ILE O 2 104 LYS N . . 2.400 2.954 2.880 3.004 0.604 2 16 "[*+**.****** * -*** *]" 2
90 2 100 ILE O 2 104 LYS H . . 1.800 1.965 1.890 2.015 0.215 2 0 "[ . 1 . 2]" 2
91 2 99 VAL O 2 103 SER N . . 2.400 2.948 2.871 3.035 0.635 19 18 "[*-*******1******* +*]" 2
92 2 99 VAL O 2 103 SER H . . 1.800 2.070 1.978 2.140 0.340 19 0 "[ . 1 . 2]" 2
93 2 98 PHE O 2 102 LEU N . . 2.400 3.458 3.414 3.495 1.095 1 20 [+***************-***] 2
94 2 98 PHE O 2 102 LEU H . . 1.800 2.517 2.475 2.548 0.748 5 20 [****+*******-*******] 2
95 2 97 TYR O 2 101 THR N . . 2.400 3.095 3.041 3.171 0.771 6 20 [*****+****-*********] 2
96 2 97 TYR O 2 101 THR H . . 1.800 2.142 2.099 2.202 0.402 6 0 "[ . 1 . 2]" 2
97 2 96 LYS O 2 100 ILE N . . 2.400 3.288 3.103 3.386 0.986 4 20 [***+********-*******] 2
98 2 96 LYS O 2 100 ILE H . . 1.800 2.444 2.261 2.540 0.740 18 19 "[************ ****+*-]" 2
99 2 95 GLN O 2 99 VAL N . . 2.400 3.269 3.084 3.402 1.002 1 20 [+****************-**] 2
100 2 95 GLN O 2 99 VAL H . . 1.800 2.403 2.286 2.521 0.721 1 17 "[+***.*****-***.** **]" 2
101 2 94 THR O 2 98 PHE N . . 2.400 3.067 2.823 3.393 0.993 9 17 "[** ** **+- *********]" 2
102 2 94 THR O 2 98 PHE H . . 1.800 2.212 1.906 2.491 0.691 9 7 "[* . * +1 **. *- 2]" 2
103 2 93 ASN O 2 97 TYR N . . 2.400 3.252 2.924 3.457 1.057 19 20 [******************+-] 2
104 2 93 ASN O 2 97 TYR H . . 1.800 2.306 1.954 2.512 0.712 19 12 "[ -**** **** * *+2]" 2
105 2 92 TRP O 2 96 LYS N . . 2.400 3.149 2.849 3.426 1.026 7 19 "[* *-**+*************]" 2
106 2 92 TRP O 2 96 LYS H . . 1.800 2.235 1.939 2.474 0.674 7 10 "[* **+ -1 * *. ** *]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 8:32:29 AM GMT (wattos1)