NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600361 |
2n12   |
25544 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n12
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 1812
_Distance_constraint_stats_list.Viol_count 2133
_Distance_constraint_stats_list.Viol_total 781.163
_Distance_constraint_stats_list.Viol_max 0.239
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0183
_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 ARG 1.121 0.062 4 0 "[ . 1 . 2]"
1 2 PRO 1.203 0.062 4 0 "[ . 1 . 2]"
1 3 LYS 0.376 0.142 3 0 "[ . 1 . 2]"
1 4 MET 0.747 0.040 18 0 "[ . 1 . 2]"
1 5 THR 0.626 0.040 3 0 "[ . 1 . 2]"
1 6 PRO 1.591 0.059 14 0 "[ . 1 . 2]"
1 7 GLU 0.065 0.033 10 0 "[ . 1 . 2]"
1 8 GLN 0.133 0.039 10 0 "[ . 1 . 2]"
1 9 MET 1.984 0.059 14 0 "[ . 1 . 2]"
1 10 ALA 0.867 0.058 14 0 "[ . 1 . 2]"
1 11 LYS 0.475 0.034 14 0 "[ . 1 . 2]"
1 12 GLU 0.447 0.117 14 0 "[ . 1 . 2]"
1 13 MET 0.327 0.022 11 0 "[ . 1 . 2]"
1 14 SER 0.665 0.031 4 0 "[ . 1 . 2]"
1 15 GLU 0.894 0.239 14 0 "[ . 1 . 2]"
1 16 PHE 0.848 0.065 9 0 "[ . 1 . 2]"
1 17 LEU 0.310 0.022 19 0 "[ . 1 . 2]"
1 18 SER 0.193 0.052 8 0 "[ . 1 . 2]"
1 19 ARG 0.866 0.170 2 0 "[ . 1 . 2]"
1 20 GLY 0.138 0.061 16 0 "[ . 1 . 2]"
1 21 PRO 0.131 0.017 4 0 "[ . 1 . 2]"
1 22 ALA 0.228 0.039 13 0 "[ . 1 . 2]"
1 23 VAL 1.513 0.143 10 0 "[ . 1 . 2]"
1 24 LEU 0.896 0.094 18 0 "[ . 1 . 2]"
1 25 ALA 0.209 0.028 15 0 "[ . 1 . 2]"
1 26 THR 0.439 0.080 8 0 "[ . 1 . 2]"
1 27 LYS 0.519 0.220 14 0 "[ . 1 . 2]"
1 28 ALA 0.087 0.021 9 0 "[ . 1 . 2]"
1 30 ALA 0.011 0.006 14 0 "[ . 1 . 2]"
1 31 GLY 0.057 0.024 18 0 "[ . 1 . 2]"
1 32 THR 0.209 0.040 20 0 "[ . 1 . 2]"
1 33 LYS 0.142 0.040 20 0 "[ . 1 . 2]"
1 34 LYS 0.211 0.027 15 0 "[ . 1 . 2]"
1 35 TYR 0.881 0.037 2 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 1.706 0.048 13 0 "[ . 1 . 2]"
1 38 SER 0.045 0.012 4 0 "[ . 1 . 2]"
1 39 LYS 0.089 0.020 5 0 "[ . 1 . 2]"
1 40 TRP 1.179 0.046 12 0 "[ . 1 . 2]"
1 41 LYS 0.020 0.020 12 0 "[ . 1 . 2]"
1 42 TYR 0.171 0.014 14 0 "[ . 1 . 2]"
1 43 ALA 0.978 0.186 19 0 "[ . 1 . 2]"
1 44 GLU 0.990 0.039 19 0 "[ . 1 . 2]"
1 45 LEU 0.250 0.029 10 0 "[ . 1 . 2]"
1 46 ARG 2.544 0.186 19 0 "[ . 1 . 2]"
1 47 ASP 1.375 0.080 3 0 "[ . 1 . 2]"
1 48 THR 0.198 0.038 19 0 "[ . 1 . 2]"
1 49 ILE 3.587 0.085 3 0 "[ . 1 . 2]"
1 50 ASN 3.240 0.080 3 0 "[ . 1 . 2]"
1 51 THR 0.152 0.025 13 0 "[ . 1 . 2]"
1 52 SER 1.693 0.060 3 0 "[ . 1 . 2]"
1 53 CYS 0.034 0.011 15 0 "[ . 1 . 2]"
1 54 ASP 2.420 0.062 3 0 "[ . 1 . 2]"
1 55 ILE 1.728 0.087 19 0 "[ . 1 . 2]"
1 56 GLU 1.195 0.128 19 0 "[ . 1 . 2]"
1 57 LEU 2.118 0.206 19 0 "[ . 1 . 2]"
1 58 LEU 2.396 0.206 19 0 "[ . 1 . 2]"
1 59 ALA 1.017 0.061 19 0 "[ . 1 . 2]"
1 60 ALA 0.699 0.153 19 0 "[ . 1 . 2]"
1 61 CYS 1.827 0.066 19 0 "[ . 1 . 2]"
1 62 ARG 1.057 0.042 18 0 "[ . 1 . 2]"
1 63 GLU 0.649 0.039 20 0 "[ . 1 . 2]"
1 64 GLU 1.257 0.086 12 0 "[ . 1 . 2]"
1 65 PHE 2.135 0.076 18 0 "[ . 1 . 2]"
1 66 HIS 1.484 0.062 1 0 "[ . 1 . 2]"
1 67 ARG 1.277 0.126 1 0 "[ . 1 . 2]"
1 68 ARG 1.088 0.076 18 0 "[ . 1 . 2]"
1 69 LEU 1.073 0.186 14 0 "[ . 1 . 2]"
1 70 LYS 0.822 0.034 12 0 "[ . 1 . 2]"
1 71 VAL 1.009 0.082 15 0 "[ . 1 . 2]"
1 72 TYR 1.396 0.186 14 0 "[ . 1 . 2]"
1 73 HIS 0.843 0.082 15 0 "[ . 1 . 2]"
1 74 ALA 0.741 0.045 10 0 "[ . 1 . 2]"
1 75 TRP 1.040 0.045 10 0 "[ . 1 . 2]"
1 76 LYS 1.846 0.107 17 0 "[ . 1 . 2]"
1 77 SER 1.004 0.052 6 0 "[ . 1 . 2]"
1 78 LYS 0.822 0.052 6 0 "[ . 1 . 2]"
1 79 ASN 0.381 0.037 2 0 "[ . 1 . 2]"
1 80 LYS 0.166 0.027 1 0 "[ . 1 . 2]"
1 81 LYS 0.090 0.020 19 0 "[ . 1 . 2]"
1 82 ARG 0.062 0.020 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 75 TRP HE1 1 79 ASN HD22 . . 4.080 3.325 2.446 3.802 . 0 0 "[ . 1 . 2]" 1
2 1 75 TRP HE1 1 79 ASN HD21 . . 4.220 3.850 3.281 4.226 0.006 1 0 "[ . 1 . 2]" 1
3 1 75 TRP HA 1 75 TRP HE1 . . 5.410 5.258 5.222 5.298 . 0 0 "[ . 1 . 2]" 1
4 1 75 TRP HB2 1 75 TRP HE1 . . 4.880 4.770 4.759 4.785 . 0 0 "[ . 1 . 2]" 1
5 1 39 LYS H 1 40 TRP HE1 . . 5.270 4.505 4.258 4.766 . 0 0 "[ . 1 . 2]" 1
6 1 37 LEU HA 1 40 TRP HE1 . . 3.580 3.027 2.871 3.125 . 0 0 "[ . 1 . 2]" 1
7 1 40 TRP QB 1 40 TRP HE1 . . 4.640 4.510 4.503 4.516 . 0 0 "[ . 1 . 2]" 1
8 1 37 LEU HB3 1 40 TRP HE1 . . 4.300 4.027 3.963 4.093 . 0 0 "[ . 1 . 2]" 1
9 1 37 LEU MD2 1 40 TRP HE1 . . 3.250 2.750 2.650 2.883 . 0 0 "[ . 1 . 2]" 1
10 1 81 LYS HA 1 82 ARG H . . 2.500 2.254 2.142 2.394 . 0 0 "[ . 1 . 2]" 1
11 1 81 LYS HB2 1 82 ARG H . . 4.680 4.137 3.838 4.530 . 0 0 "[ . 1 . 2]" 1
12 1 81 LYS QD 1 82 ARG H . . 4.240 3.748 2.260 4.249 0.009 9 0 "[ . 1 . 2]" 1
13 1 82 ARG H 1 82 ARG QG . . 3.390 2.224 1.751 3.327 . 0 0 "[ . 1 . 2]" 1
14 1 81 LYS QG 1 82 ARG H . . 4.020 2.241 1.808 3.644 . 0 0 "[ . 1 . 2]" 1
15 1 23 VAL HB 1 24 LEU H . . 4.440 3.997 1.654 4.469 0.029 15 0 "[ . 1 . 2]" 1
16 1 24 LEU H 1 24 LEU HB3 . . 3.910 3.655 3.572 4.004 0.094 18 0 "[ . 1 . 2]" 1
17 1 23 VAL MG1 1 24 LEU H . . 4.370 3.572 3.130 4.383 0.013 16 0 "[ . 1 . 2]" 1
18 1 36 ASP HA 1 37 LEU H . . 2.940 2.232 2.229 2.234 . 0 0 "[ . 1 . 2]" 1
19 1 36 ASP HB2 1 37 LEU H . . 5.060 4.367 3.955 4.592 . 0 0 "[ . 1 . 2]" 1
20 1 35 TYR QB 1 37 LEU H . . 4.740 4.104 4.081 4.121 . 0 0 "[ . 1 . 2]" 1
21 1 36 ASP HB3 1 37 LEU H . . 5.060 4.121 3.955 4.528 . 0 0 "[ . 1 . 2]" 1
22 1 37 LEU H 1 37 LEU HB2 . . 3.810 2.710 2.660 2.776 . 0 0 "[ . 1 . 2]" 1
23 1 37 LEU H 1 37 LEU HG . . 3.350 2.116 2.052 2.250 . 0 0 "[ . 1 . 2]" 1
24 1 37 LEU H 1 37 LEU MD1 . . 4.040 3.667 3.602 3.792 . 0 0 "[ . 1 . 2]" 1
25 1 37 LEU H 1 37 LEU MD2 . . 3.810 3.063 2.923 3.124 . 0 0 "[ . 1 . 2]" 1
26 1 27 LYS HA 1 28 ALA H . . 3.190 2.594 2.150 3.211 0.021 9 0 "[ . 1 . 2]" 1
27 1 28 ALA H 1 28 ALA MB . . 2.720 2.459 2.214 2.732 0.012 2 0 "[ . 1 . 2]" 1
28 1 55 ILE H 1 58 LEU H . . 4.830 4.720 4.652 4.770 . 0 0 "[ . 1 . 2]" 1
29 1 54 ASP HA 1 55 ILE H . . 2.840 2.160 2.140 2.191 . 0 0 "[ . 1 . 2]" 1
30 1 54 ASP HB3 1 55 ILE H . . 4.150 3.484 3.229 3.780 . 0 0 "[ . 1 . 2]" 1
31 1 55 ILE H 1 56 GLU HG2 . . 3.930 3.693 3.524 3.823 . 0 0 "[ . 1 . 2]" 1
32 1 55 ILE H 1 56 GLU HG3 . . 5.050 4.654 4.339 4.799 . 0 0 "[ . 1 . 2]" 1
33 1 55 ILE H 1 55 ILE HB . . 3.250 2.586 2.538 2.848 . 0 0 "[ . 1 . 2]" 1
34 1 55 ILE H 1 55 ILE HG13 . . 3.440 3.153 2.238 3.257 . 0 0 "[ . 1 . 2]" 1
35 1 55 ILE H 1 55 ILE HG12 . . 3.440 2.012 1.864 3.345 . 0 0 "[ . 1 . 2]" 1
36 1 55 ILE H 1 55 ILE MG . . 3.980 3.742 3.666 3.754 . 0 0 "[ . 1 . 2]" 1
37 1 24 LEU HA 1 25 ALA H . . 2.640 2.394 2.143 2.667 0.027 18 0 "[ . 1 . 2]" 1
38 1 25 ALA H 1 25 ALA MB . . 2.900 2.609 2.229 2.864 . 0 0 "[ . 1 . 2]" 1
39 1 35 TYR QE 1 57 LEU H . . 4.470 4.355 3.451 4.482 0.012 2 0 "[ . 1 . 2]" 1
40 1 55 ILE H 1 57 LEU H . . 4.270 4.164 3.964 4.273 0.003 15 0 "[ . 1 . 2]" 1
41 1 55 ILE HA 1 57 LEU H . . 4.820 4.581 4.502 4.643 . 0 0 "[ . 1 . 2]" 1
42 1 54 ASP HB3 1 57 LEU H . . 4.230 2.375 2.299 2.505 . 0 0 "[ . 1 . 2]" 1
43 1 56 GLU HG2 1 57 LEU H . . 4.040 2.786 2.638 3.136 . 0 0 "[ . 1 . 2]" 1
44 1 56 GLU HG3 1 57 LEU H . . 3.630 1.799 1.770 1.868 . 0 0 "[ . 1 . 2]" 1
45 1 56 GLU HB3 1 57 LEU H . . 4.140 3.958 3.935 3.984 . 0 0 "[ . 1 . 2]" 1
46 1 57 LEU H 1 57 LEU HB2 . . 3.590 2.441 2.414 2.602 . 0 0 "[ . 1 . 2]" 1
47 1 57 LEU H 1 60 ALA MB . . 4.920 4.674 4.460 4.905 . 0 0 "[ . 1 . 2]" 1
48 1 57 LEU H 1 57 LEU HB3 . . 3.400 2.576 2.423 2.604 . 0 0 "[ . 1 . 2]" 1
49 1 57 LEU H 1 57 LEU MD1 . . 4.180 4.113 4.092 4.152 . 0 0 "[ . 1 . 2]" 1
50 1 57 LEU H 1 57 LEU MD2 . . 4.180 3.940 3.908 4.191 0.011 19 0 "[ . 1 . 2]" 1
51 1 42 TYR H 1 42 TYR QD . . 4.250 4.183 4.174 4.192 . 0 0 "[ . 1 . 2]" 1
52 1 41 LYS HA 1 42 TYR H . . 3.400 2.328 2.254 2.394 . 0 0 "[ . 1 . 2]" 1
53 1 42 TYR H 1 42 TYR HB2 . . 3.850 2.630 2.579 2.666 . 0 0 "[ . 1 . 2]" 1
54 1 42 TYR H 1 42 TYR HB3 . . 3.850 2.449 2.408 2.499 . 0 0 "[ . 1 . 2]" 1
55 1 41 LYS HB3 1 42 TYR H . . 4.370 2.704 2.501 2.904 . 0 0 "[ . 1 . 2]" 1
56 1 33 LYS H 1 33 LYS QB . . 2.640 2.478 2.244 2.653 0.013 16 0 "[ . 1 . 2]" 1
57 1 32 THR MG 1 33 LYS H . . 3.080 2.393 1.821 2.883 . 0 0 "[ . 1 . 2]" 1
58 1 53 CYS H 1 54 ASP H . . 3.110 1.986 1.906 2.066 . 0 0 "[ . 1 . 2]" 1
59 1 52 SER HG 1 54 ASP H . . 3.910 2.173 1.582 2.820 . 0 0 "[ . 1 . 2]" 1
60 1 52 SER HA 1 54 ASP H . . 4.200 4.227 4.216 4.260 0.060 3 0 "[ . 1 . 2]" 1
61 1 52 SER HB2 1 54 ASP H . . 4.610 4.254 4.156 4.333 . 0 0 "[ . 1 . 2]" 1
62 1 52 SER HB3 1 54 ASP H . . 4.010 3.821 3.678 3.885 . 0 0 "[ . 1 . 2]" 1
63 1 54 ASP H 1 54 ASP HB3 . . 3.650 3.501 3.476 3.550 . 0 0 "[ . 1 . 2]" 1
64 1 54 ASP H 1 54 ASP HB2 . . 3.300 2.278 2.263 2.308 . 0 0 "[ . 1 . 2]" 1
65 1 54 ASP H 1 57 LEU HB2 . . 5.310 4.926 4.833 5.184 . 0 0 "[ . 1 . 2]" 1
66 1 54 ASP H 1 58 LEU HG . . 4.300 4.193 4.042 4.362 0.062 3 0 "[ . 1 . 2]" 1
67 1 54 ASP H 1 57 LEU HB3 . . 4.100 3.622 3.538 3.827 . 0 0 "[ . 1 . 2]" 1
68 1 22 ALA H 1 23 VAL H . . 3.430 2.562 1.971 3.294 . 0 0 "[ . 1 . 2]" 1
69 1 21 PRO HA 1 22 ALA H . . 2.600 2.527 2.381 2.617 0.017 4 0 "[ . 1 . 2]" 1
70 1 21 PRO HB3 1 22 ALA H . . 3.500 3.136 2.550 3.508 0.008 14 0 "[ . 1 . 2]" 1
71 1 21 PRO HB2 1 22 ALA H . . 3.330 2.619 2.189 3.332 0.002 17 0 "[ . 1 . 2]" 1
72 1 22 ALA H 1 22 ALA MB . . 2.710 2.558 2.300 2.727 0.017 15 0 "[ . 1 . 2]" 1
73 1 1 ARG H1 1 2 PRO HD2 . . 5.050 4.791 4.762 4.887 . 0 0 "[ . 1 . 2]" 1
74 1 1 ARG H1 1 1 ARG HB2 . . 3.620 2.312 2.151 2.722 . 0 0 "[ . 1 . 2]" 1
75 1 1 ARG H1 1 1 ARG HB3 . . 3.700 3.553 3.455 3.713 0.013 6 0 "[ . 1 . 2]" 1
76 1 40 TRP H 1 41 LYS H . . 4.630 4.569 4.525 4.616 . 0 0 "[ . 1 . 2]" 1
77 1 40 TRP HE3 1 41 LYS H . . 4.760 3.974 3.665 4.534 . 0 0 "[ . 1 . 2]" 1
78 1 40 TRP HA 1 41 LYS H . . 2.960 2.415 2.219 2.558 . 0 0 "[ . 1 . 2]" 1
79 1 40 TRP QB 1 41 LYS H . . 3.780 2.380 2.079 2.899 . 0 0 "[ . 1 . 2]" 1
80 1 41 LYS H 1 44 GLU HG2 . . 4.380 3.456 3.170 4.161 . 0 0 "[ . 1 . 2]" 1
81 1 41 LYS H 1 44 GLU HG3 . . 4.380 2.444 2.228 2.754 . 0 0 "[ . 1 . 2]" 1
82 1 79 ASN H 1 81 LYS H . . 5.220 4.843 4.441 5.222 0.002 16 0 "[ . 1 . 2]" 1
83 1 80 LYS H 1 81 LYS H . . 3.250 2.458 1.659 3.260 0.010 20 0 "[ . 1 . 2]" 1
84 1 81 LYS H 1 81 LYS HB2 . . 3.060 2.437 2.235 2.888 . 0 0 "[ . 1 . 2]" 1
85 1 81 LYS H 1 81 LYS HB3 . . 3.060 2.700 2.450 2.946 . 0 0 "[ . 1 . 2]" 1
86 1 80 LYS QD 1 81 LYS H . . 4.760 4.200 3.208 4.771 0.011 7 0 "[ . 1 . 2]" 1
87 1 27 LYS H 1 27 LYS QG . . 3.300 2.439 1.921 3.029 . 0 0 "[ . 1 . 2]" 1
88 1 33 LYS HA 1 34 LYS H . . 3.210 2.627 2.141 3.237 0.027 15 0 "[ . 1 . 2]" 1
89 1 34 LYS H 1 34 LYS HB3 . . 3.080 2.819 2.538 3.106 0.026 20 0 "[ . 1 . 2]" 1
90 1 34 LYS H 1 34 LYS HG3 . . 3.750 3.044 2.448 3.594 . 0 0 "[ . 1 . 2]" 1
91 1 34 LYS H 1 34 LYS HG2 . . 3.750 1.878 1.748 2.316 . 0 0 "[ . 1 . 2]" 1
92 1 68 ARG H 1 69 LEU H . . 4.290 2.689 2.580 2.822 . 0 0 "[ . 1 . 2]" 1
93 1 69 LEU H 1 69 LEU HB2 . . 3.910 2.165 2.135 2.198 . 0 0 "[ . 1 . 2]" 1
94 1 69 LEU H 1 69 LEU HG . . 4.330 3.985 3.043 4.297 . 0 0 "[ . 1 . 2]" 1
95 1 15 GLU H 1 16 PHE H . . 3.380 2.725 2.667 2.857 . 0 0 "[ . 1 . 2]" 1
96 1 14 SER HB3 1 15 GLU H . . 3.080 2.483 2.374 2.542 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLU HA 1 15 GLU H . . 4.640 4.013 3.658 4.076 . 0 0 "[ . 1 . 2]" 1
98 1 15 GLU H 1 15 GLU HB3 . . 3.170 2.514 2.449 3.409 0.239 14 0 "[ . 1 . 2]" 1
99 1 15 GLU H 1 15 GLU HB2 . . 3.730 3.571 3.018 3.609 . 0 0 "[ . 1 . 2]" 1
100 1 40 TRP HE3 1 45 LEU H . . 3.940 3.754 3.627 3.949 0.009 18 0 "[ . 1 . 2]" 1
101 1 40 TRP QB 1 45 LEU H . . 4.470 3.446 3.271 3.685 . 0 0 "[ . 1 . 2]" 1
102 1 44 GLU HB3 1 45 LEU H . . 3.900 3.584 3.518 3.704 . 0 0 "[ . 1 . 2]" 1
103 1 45 LEU H 1 45 LEU HB3 . . 3.670 3.583 3.578 3.587 . 0 0 "[ . 1 . 2]" 1
104 1 45 LEU H 1 45 LEU HG . . 4.070 2.092 1.976 2.205 . 0 0 "[ . 1 . 2]" 1
105 1 44 GLU HB2 1 45 LEU H . . 3.900 2.475 2.410 2.649 . 0 0 "[ . 1 . 2]" 1
106 1 45 LEU H 1 46 ARG HG2 . . 4.460 4.085 3.914 4.147 . 0 0 "[ . 1 . 2]" 1
107 1 43 ALA MB 1 45 LEU H . . 5.010 4.640 4.534 4.699 . 0 0 "[ . 1 . 2]" 1
108 1 45 LEU H 1 45 LEU HB2 . . 3.800 2.479 2.425 2.546 . 0 0 "[ . 1 . 2]" 1
109 1 45 LEU H 1 45 LEU MD1 . . 3.870 3.427 3.291 3.516 . 0 0 "[ . 1 . 2]" 1
110 1 3 LYS HA 1 4 MET H . . 2.500 2.189 2.147 2.319 . 0 0 "[ . 1 . 2]" 1
111 1 4 MET H 1 4 MET HB3 . . 3.190 2.708 2.267 3.035 . 0 0 "[ . 1 . 2]" 1
112 1 3 LYS QG 1 4 MET H . . 3.860 2.915 2.021 3.710 . 0 0 "[ . 1 . 2]" 1
113 1 73 HIS H 1 74 ALA H . . 3.280 2.474 2.379 2.533 . 0 0 "[ . 1 . 2]" 1
114 1 74 ALA H 1 75 TRP H . . 3.010 2.627 2.500 2.715 . 0 0 "[ . 1 . 2]" 1
115 1 72 TYR HA 1 74 ALA H . . 4.710 4.258 4.090 4.488 . 0 0 "[ . 1 . 2]" 1
116 1 71 VAL HA 1 74 ALA H . . 3.680 3.289 3.106 3.409 . 0 0 "[ . 1 . 2]" 1
117 1 74 ALA H 1 75 TRP HB3 . . 4.610 4.488 4.421 4.564 . 0 0 "[ . 1 . 2]" 1
118 1 73 HIS HB2 1 74 ALA H . . 3.250 2.890 2.716 3.021 . 0 0 "[ . 1 . 2]" 1
119 1 74 ALA H 1 74 ALA MB . . 2.630 2.232 2.194 2.256 . 0 0 "[ . 1 . 2]" 1
120 1 71 VAL MG1 1 74 ALA H . . 5.380 4.505 4.379 4.724 . 0 0 "[ . 1 . 2]" 1
121 1 71 VAL MG2 1 74 ALA H . . 5.380 4.948 4.318 5.141 . 0 0 "[ . 1 . 2]" 1
122 1 58 LEU HA 1 60 ALA H . . 4.640 4.570 4.280 4.648 0.008 13 0 "[ . 1 . 2]" 1
123 1 60 ALA H 1 61 CYS HG . . 4.950 4.945 4.851 4.958 0.008 17 0 "[ . 1 . 2]" 1
124 1 58 LEU H 1 60 ALA H . . 4.480 4.357 4.074 4.417 . 0 0 "[ . 1 . 2]" 1
125 1 60 ALA H 1 61 CYS H . . 3.330 2.951 2.656 3.040 . 0 0 "[ . 1 . 2]" 1
126 1 57 LEU HA 1 60 ALA H . . 3.830 3.369 2.885 3.658 . 0 0 "[ . 1 . 2]" 1
127 1 60 ALA H 1 62 ARG HB2 . . 5.500 5.083 4.971 5.144 . 0 0 "[ . 1 . 2]" 1
128 1 59 ALA MB 1 60 ALA H . . 3.170 2.391 2.306 2.625 . 0 0 "[ . 1 . 2]" 1
129 1 57 LEU MD1 1 60 ALA H . . 5.120 4.297 4.056 4.467 . 0 0 "[ . 1 . 2]" 1
130 1 57 LEU MD2 1 60 ALA H . . 5.120 4.272 4.033 5.273 0.153 19 0 "[ . 1 . 2]" 1
131 1 37 LEU MD1 1 60 ALA H . . 4.390 4.379 4.193 4.413 0.023 20 0 "[ . 1 . 2]" 1
132 1 2 PRO HD3 1 3 LYS H . . 5.500 5.452 5.370 5.532 0.032 9 0 "[ . 1 . 2]" 1
133 1 2 PRO HA 1 3 LYS H . . 2.770 2.623 2.552 2.753 . 0 0 "[ . 1 . 2]" 1
134 1 2 PRO HB3 1 3 LYS H . . 3.700 3.218 2.353 3.337 . 0 0 "[ . 1 . 2]" 1
135 1 2 PRO QG 1 3 LYS H . . 3.980 3.897 3.669 4.013 0.033 9 0 "[ . 1 . 2]" 1
136 1 3 LYS H 1 3 LYS QG . . 4.000 3.885 2.479 4.036 0.036 8 0 "[ . 1 . 2]" 1
137 1 39 LYS H 1 40 TRP H . . 3.260 2.219 2.082 2.407 . 0 0 "[ . 1 . 2]" 1
138 1 40 TRP H 1 40 TRP HD1 . . 3.250 2.122 1.812 2.246 . 0 0 "[ . 1 . 2]" 1
139 1 40 TRP H 1 40 TRP QB . . 3.300 2.360 2.306 2.395 . 0 0 "[ . 1 . 2]" 1
140 1 40 TRP H 1 45 LEU HG . . 5.500 5.199 4.979 5.479 . 0 0 "[ . 1 . 2]" 1
141 1 37 LEU HB2 1 40 TRP H . . 5.030 4.372 4.233 4.516 . 0 0 "[ . 1 . 2]" 1
142 1 39 LYS HB3 1 40 TRP H . . 4.460 4.375 4.172 4.460 . 0 0 "[ . 1 . 2]" 1
143 1 69 LEU HA 1 72 TYR H . . 3.710 3.432 3.113 3.576 . 0 0 "[ . 1 . 2]" 1
144 1 72 TYR H 1 72 TYR HB2 . . 3.320 2.791 2.687 3.044 . 0 0 "[ . 1 . 2]" 1
145 1 72 TYR H 1 72 TYR HB3 . . 3.320 2.286 2.120 2.368 . 0 0 "[ . 1 . 2]" 1
146 1 71 VAL HB 1 72 TYR H . . 4.050 2.805 2.513 3.757 . 0 0 "[ . 1 . 2]" 1
147 1 72 TYR H 1 74 ALA MB . . 5.080 4.721 4.589 4.811 . 0 0 "[ . 1 . 2]" 1
148 1 71 VAL MG2 1 72 TYR H . . 3.880 3.808 3.693 3.911 0.031 20 0 "[ . 1 . 2]" 1
149 1 71 VAL H 1 72 TYR H . . 3.410 2.598 2.450 2.713 . 0 0 "[ . 1 . 2]" 1
150 1 72 TYR H 1 72 TYR QD . . 4.150 4.117 3.890 4.159 0.009 1 0 "[ . 1 . 2]" 1
151 1 63 GLU QB 1 64 GLU H . . 3.380 2.485 2.408 2.563 . 0 0 "[ . 1 . 2]" 1
152 1 64 GLU H 1 64 GLU HB2 . . 3.420 2.198 2.112 2.368 . 0 0 "[ . 1 . 2]" 1
153 1 64 GLU H 1 64 GLU HB3 . . 3.480 3.491 3.406 3.566 0.086 12 0 "[ . 1 . 2]" 1
154 1 37 LEU MD1 1 64 GLU H . . 4.660 4.388 4.152 4.599 . 0 0 "[ . 1 . 2]" 1
155 1 61 CYS HA 1 64 GLU H . . 3.970 3.434 3.342 3.532 . 0 0 "[ . 1 . 2]" 1
156 1 60 ALA MB 1 64 GLU H . . 4.900 4.667 4.521 4.749 . 0 0 "[ . 1 . 2]" 1
157 1 53 CYS H 1 54 ASP HB2 . . 4.190 3.469 3.396 3.543 . 0 0 "[ . 1 . 2]" 1
158 1 52 SER HG 1 53 CYS H . . 3.960 2.222 1.279 2.959 . 0 0 "[ . 1 . 2]" 1
159 1 53 CYS H 1 54 ASP HA . . 4.510 4.314 4.267 4.337 . 0 0 "[ . 1 . 2]" 1
160 1 52 SER HA 1 53 CYS H . . 2.760 2.522 2.485 2.566 . 0 0 "[ . 1 . 2]" 1
161 1 52 SER HB2 1 53 CYS H . . 3.700 3.498 3.393 3.576 . 0 0 "[ . 1 . 2]" 1
162 1 52 SER HB3 1 53 CYS H . . 3.920 3.519 3.449 3.581 . 0 0 "[ . 1 . 2]" 1
163 1 53 CYS H 1 53 CYS HB3 . . 3.470 2.983 2.914 3.059 . 0 0 "[ . 1 . 2]" 1
164 1 48 THR MG 1 53 CYS H . . 5.500 5.055 4.898 5.134 . 0 0 "[ . 1 . 2]" 1
165 1 53 CYS H 1 57 LEU HB3 . . 5.500 5.113 4.960 5.390 . 0 0 "[ . 1 . 2]" 1
166 1 48 THR HB 1 49 ILE H . . 3.550 2.169 2.112 2.221 . 0 0 "[ . 1 . 2]" 1
167 1 49 ILE H 1 50 ASN H . . 3.530 2.687 2.647 2.711 . 0 0 "[ . 1 . 2]" 1
168 1 49 ILE H 1 65 PHE QE . . 5.500 5.521 5.360 5.555 0.055 20 0 "[ . 1 . 2]" 1
169 1 48 THR HG1 1 49 ILE H . . 4.330 3.885 3.506 4.188 . 0 0 "[ . 1 . 2]" 1
170 1 45 LEU HA 1 49 ILE H . . 4.680 4.089 3.929 4.191 . 0 0 "[ . 1 . 2]" 1
171 1 49 ILE H 1 52 SER HB2 . . 5.280 4.705 4.652 4.745 . 0 0 "[ . 1 . 2]" 1
172 1 46 ARG HA 1 49 ILE H . . 4.100 3.948 3.828 4.092 . 0 0 "[ . 1 . 2]" 1
173 1 49 ILE H 1 49 ILE HG13 . . 3.620 3.314 3.223 3.473 . 0 0 "[ . 1 . 2]" 1
174 1 49 ILE H 1 49 ILE HG12 . . 3.610 2.081 2.003 2.287 . 0 0 "[ . 1 . 2]" 1
175 1 73 HIS H 1 75 TRP H . . 4.390 4.342 4.063 4.397 0.007 8 0 "[ . 1 . 2]" 1
176 1 75 TRP H 1 76 LYS H . . 3.260 2.667 2.561 2.811 . 0 0 "[ . 1 . 2]" 1
177 1 75 TRP H 1 75 TRP HE3 . . 4.230 4.097 3.951 4.192 . 0 0 "[ . 1 . 2]" 1
178 1 72 TYR HA 1 75 TRP H . . 3.860 3.773 3.670 3.864 0.004 15 0 "[ . 1 . 2]" 1
179 1 71 VAL HA 1 75 TRP H . . 4.380 3.701 3.579 3.845 . 0 0 "[ . 1 . 2]" 1
180 1 75 TRP H 1 75 TRP HB3 . . 3.130 2.259 2.198 2.295 . 0 0 "[ . 1 . 2]" 1
181 1 75 TRP H 1 75 TRP HB2 . . 3.100 2.827 2.782 2.922 . 0 0 "[ . 1 . 2]" 1
182 1 79 ASN HB3 1 80 LYS H . . 4.440 4.316 3.609 4.452 0.012 13 0 "[ . 1 . 2]" 1
183 1 80 LYS H 1 80 LYS QD . . 4.470 3.951 3.528 4.480 0.010 17 0 "[ . 1 . 2]" 1
184 1 80 LYS H 1 80 LYS QG . . 3.470 2.236 1.775 3.241 . 0 0 "[ . 1 . 2]" 1
185 1 5 THR HA 1 8 GLN H . . 4.920 4.562 4.508 4.618 . 0 0 "[ . 1 . 2]" 1
186 1 7 GLU QG 1 8 GLN H . . 3.710 3.665 3.530 3.743 0.033 10 0 "[ . 1 . 2]" 1
187 1 8 GLN H 1 8 GLN HB2 . . 3.420 2.566 2.445 2.617 . 0 0 "[ . 1 . 2]" 1
188 1 7 GLU HB3 1 8 GLN H . . 3.730 2.630 2.550 2.742 . 0 0 "[ . 1 . 2]" 1
189 1 8 GLN H 1 8 GLN HB3 . . 3.420 2.504 2.454 2.622 . 0 0 "[ . 1 . 2]" 1
190 1 56 GLU H 1 58 LEU H . . 4.750 4.665 4.612 4.733 . 0 0 "[ . 1 . 2]" 1
191 1 55 ILE H 1 56 GLU H . . 3.450 2.945 2.816 3.029 . 0 0 "[ . 1 . 2]" 1
192 1 56 GLU H 1 57 LEU H . . 3.100 2.910 2.845 2.954 . 0 0 "[ . 1 . 2]" 1
193 1 54 ASP HA 1 56 GLU H . . 4.650 4.512 4.328 4.630 . 0 0 "[ . 1 . 2]" 1
194 1 56 GLU H 1 57 LEU HA . . 5.500 5.471 5.422 5.504 0.004 12 0 "[ . 1 . 2]" 1
195 1 56 GLU H 1 56 GLU HG2 . . 3.290 1.762 1.701 1.778 . 0 0 "[ . 1 . 2]" 1
196 1 56 GLU H 1 56 GLU HG3 . . 3.110 2.911 2.594 3.020 . 0 0 "[ . 1 . 2]" 1
197 1 56 GLU H 1 56 GLU HB3 . . 3.310 2.736 2.697 2.858 . 0 0 "[ . 1 . 2]" 1
198 1 55 ILE HB 1 56 GLU H . . 3.520 2.067 1.958 2.138 . 0 0 "[ . 1 . 2]" 1
199 1 56 GLU H 1 57 LEU HB2 . . 5.320 5.228 5.134 5.448 0.128 19 0 "[ . 1 . 2]" 1
200 1 55 ILE HG13 1 56 GLU H . . 4.420 4.325 4.303 4.373 . 0 0 "[ . 1 . 2]" 1
201 1 55 ILE MD 1 56 GLU H . . 4.750 4.483 2.626 4.618 . 0 0 "[ . 1 . 2]" 1
202 1 54 ASP HB3 1 56 GLU H . . 4.570 3.944 3.863 4.130 . 0 0 "[ . 1 . 2]" 1
203 1 9 MET H 1 10 ALA H . . 3.460 2.675 2.597 2.761 . 0 0 "[ . 1 . 2]" 1
204 1 10 ALA H 1 11 LYS H . . 3.460 2.640 2.598 2.788 . 0 0 "[ . 1 . 2]" 1
205 1 6 PRO HA 1 10 ALA H . . 4.270 4.035 3.876 4.092 . 0 0 "[ . 1 . 2]" 1
206 1 7 GLU HA 1 10 ALA H . . 3.750 3.535 3.426 3.720 . 0 0 "[ . 1 . 2]" 1
207 1 10 ALA H 1 11 LYS HB2 . . 4.630 4.644 4.596 4.663 0.033 1 0 "[ . 1 . 2]" 1
208 1 10 ALA H 1 13 MET ME . . 3.520 3.471 3.412 3.523 0.003 14 0 "[ . 1 . 2]" 1
209 1 9 MET HB2 1 10 ALA H . . 4.060 3.747 3.676 3.786 . 0 0 "[ . 1 . 2]" 1
210 1 10 ALA H 1 10 ALA MB . . 3.040 2.211 2.171 2.236 . 0 0 "[ . 1 . 2]" 1
211 1 7 GLU QG 1 10 ALA H . . 5.120 4.844 4.737 5.031 . 0 0 "[ . 1 . 2]" 1
212 1 10 ALA H 1 13 MET HB2 . . 5.020 4.832 4.674 4.936 . 0 0 "[ . 1 . 2]" 1
213 1 9 MET HG3 1 10 ALA H . . 4.690 2.161 2.074 2.206 . 0 0 "[ . 1 . 2]" 1
214 1 9 MET HG2 1 10 ALA H . . 5.100 2.486 2.351 2.538 . 0 0 "[ . 1 . 2]" 1
215 1 77 SER HB3 1 78 LYS H . . 3.380 2.784 2.681 2.924 . 0 0 "[ . 1 . 2]" 1
216 1 76 LYS HB3 1 78 LYS H . . 5.440 4.871 4.711 5.040 . 0 0 "[ . 1 . 2]" 1
217 1 58 LEU H 1 59 ALA H . . 3.580 2.923 2.770 2.959 . 0 0 "[ . 1 . 2]" 1
218 1 56 GLU HA 1 59 ALA H . . 3.960 3.741 3.698 3.792 . 0 0 "[ . 1 . 2]" 1
219 1 58 LEU HB2 1 59 ALA H . . 3.660 2.754 2.696 2.905 . 0 0 "[ . 1 . 2]" 1
220 1 58 LEU HB3 1 59 ALA H . . 3.660 3.122 3.039 3.338 . 0 0 "[ . 1 . 2]" 1
221 1 58 LEU MD1 1 59 ALA H . . 4.750 4.552 4.300 4.687 . 0 0 "[ . 1 . 2]" 1
222 1 57 LEU H 1 58 LEU H . . 3.490 2.900 2.877 2.930 . 0 0 "[ . 1 . 2]" 1
223 1 56 GLU HA 1 58 LEU H . . 5.080 4.995 4.912 5.104 0.024 19 0 "[ . 1 . 2]" 1
224 1 54 ASP HB3 1 58 LEU H . . 4.320 3.580 3.497 3.744 . 0 0 "[ . 1 . 2]" 1
225 1 56 GLU HG3 1 58 LEU H . . 5.010 4.691 4.647 4.755 . 0 0 "[ . 1 . 2]" 1
226 1 58 LEU H 1 58 LEU HB2 . . 3.550 2.230 2.200 2.283 . 0 0 "[ . 1 . 2]" 1
227 1 58 LEU H 1 58 LEU HG . . 3.840 3.704 3.297 3.781 . 0 0 "[ . 1 . 2]" 1
228 1 58 LEU H 1 59 ALA MB . . 4.590 4.545 4.393 4.586 . 0 0 "[ . 1 . 2]" 1
229 1 58 LEU H 1 58 LEU HB3 . . 3.550 3.525 3.503 3.556 0.006 19 0 "[ . 1 . 2]" 1
230 1 57 LEU HB3 1 58 LEU H . . 3.670 2.136 2.073 2.171 . 0 0 "[ . 1 . 2]" 1
231 1 57 LEU MD1 1 58 LEU H . . 4.360 2.637 2.482 4.300 . 0 0 "[ . 1 . 2]" 1
232 1 57 LEU MD2 1 58 LEU H . . 4.360 4.133 3.000 4.224 . 0 0 "[ . 1 . 2]" 1
233 1 74 ALA H 1 76 LYS H . . 4.310 3.792 3.660 4.038 . 0 0 "[ . 1 . 2]" 1
234 1 75 TRP HE3 1 76 LYS H . . 3.710 2.411 2.236 2.572 . 0 0 "[ . 1 . 2]" 1
235 1 72 TYR HA 1 76 LYS H . . 4.540 3.811 3.750 3.874 . 0 0 "[ . 1 . 2]" 1
236 1 73 HIS HA 1 76 LYS H . . 3.990 3.679 3.513 3.779 . 0 0 "[ . 1 . 2]" 1
237 1 75 TRP HB2 1 76 LYS H . . 4.260 4.098 4.039 4.173 . 0 0 "[ . 1 . 2]" 1
238 1 76 LYS H 1 76 LYS HB3 . . 3.390 2.526 2.388 2.586 . 0 0 "[ . 1 . 2]" 1
239 1 76 LYS H 1 76 LYS HB2 . . 3.280 2.551 2.476 2.708 . 0 0 "[ . 1 . 2]" 1
240 1 36 ASP H 1 37 LEU H . . 4.330 4.096 4.076 4.118 . 0 0 "[ . 1 . 2]" 1
241 1 35 TYR H 1 36 ASP H . . 4.440 4.270 4.158 4.389 . 0 0 "[ . 1 . 2]" 1
242 1 35 TYR QD 1 36 ASP H . . 4.260 3.825 3.621 4.250 . 0 0 "[ . 1 . 2]" 1
243 1 35 TYR HA 1 36 ASP H . . 2.880 2.156 2.149 2.160 . 0 0 "[ . 1 . 2]" 1
244 1 35 TYR QB 1 36 ASP H . . 4.000 3.558 3.460 3.597 . 0 0 "[ . 1 . 2]" 1
245 1 36 ASP H 1 37 LEU MD2 . . 4.240 3.575 3.371 3.721 . 0 0 "[ . 1 . 2]" 1
246 1 67 ARG H 1 68 ARG H . . 3.750 2.844 2.619 3.042 . 0 0 "[ . 1 . 2]" 1
247 1 66 HIS H 1 67 ARG H . . 3.650 2.969 2.850 3.032 . 0 0 "[ . 1 . 2]" 1
248 1 66 HIS HD2 1 67 ARG H . . 4.530 3.970 2.557 4.327 . 0 0 "[ . 1 . 2]" 1
249 1 64 GLU HA 1 67 ARG H . . 3.860 3.743 3.659 3.848 . 0 0 "[ . 1 . 2]" 1
250 1 63 GLU HA 1 67 ARG H . . 4.220 4.151 3.942 4.250 0.030 18 0 "[ . 1 . 2]" 1
251 1 66 HIS QB 1 67 ARG H . . 3.350 2.478 2.265 2.590 . 0 0 "[ . 1 . 2]" 1
252 1 69 LEU H 1 70 LYS H . . 3.660 2.671 2.540 2.881 . 0 0 "[ . 1 . 2]" 1
253 1 70 LYS H 1 72 TYR H . . 4.650 4.132 3.968 4.382 . 0 0 "[ . 1 . 2]" 1
254 1 67 ARG HA 1 70 LYS H . . 3.930 3.735 3.514 3.939 0.009 3 0 "[ . 1 . 2]" 1
255 1 70 LYS H 1 71 VAL HA . . 5.500 5.384 5.271 5.463 . 0 0 "[ . 1 . 2]" 1
256 1 70 LYS H 1 70 LYS QB . . 2.930 2.334 2.203 2.440 . 0 0 "[ . 1 . 2]" 1
257 1 69 LEU HB3 1 70 LYS H . . 3.510 2.881 2.502 3.345 . 0 0 "[ . 1 . 2]" 1
258 1 70 LYS H 1 70 LYS HG2 . . 3.970 2.692 2.105 3.438 . 0 0 "[ . 1 . 2]" 1
259 1 69 LEU MD1 1 70 LYS H . . 4.860 4.379 4.186 4.617 . 0 0 "[ . 1 . 2]" 1
260 1 67 ARG HA 1 71 VAL H . . 4.450 4.149 3.852 4.300 . 0 0 "[ . 1 . 2]" 1
261 1 71 VAL H 1 73 HIS HB2 . . 5.110 5.086 4.966 5.131 0.021 2 0 "[ . 1 . 2]" 1
262 1 71 VAL H 1 71 VAL HB . . 3.200 2.483 2.312 2.623 . 0 0 "[ . 1 . 2]" 1
263 1 70 LYS QB 1 71 VAL H . . 3.520 2.755 2.358 3.536 0.016 3 0 "[ . 1 . 2]" 1
264 1 70 LYS QD 1 71 VAL H . . 4.960 4.351 2.672 4.969 0.009 1 0 "[ . 1 . 2]" 1
265 1 71 VAL H 1 71 VAL MG2 . . 3.900 2.389 1.857 3.750 . 0 0 "[ . 1 . 2]" 1
266 1 16 PHE HB3 1 19 ARG H . . 5.500 5.343 5.057 5.528 0.028 2 0 "[ . 1 . 2]" 1
267 1 19 ARG H 1 19 ARG HD3 . . 5.500 4.702 2.647 5.235 . 0 0 "[ . 1 . 2]" 1
268 1 19 ARG H 1 19 ARG HB2 . . 3.640 2.506 2.166 3.654 0.014 2 0 "[ . 1 . 2]" 1
269 1 19 ARG H 1 19 ARG HB3 . . 3.640 3.506 2.815 3.613 . 0 0 "[ . 1 . 2]" 1
270 1 19 ARG H 1 19 ARG HG2 . . 4.010 3.000 2.339 4.017 0.007 16 0 "[ . 1 . 2]" 1
271 1 65 PHE H 1 67 ARG H . . 4.660 4.237 4.118 4.481 . 0 0 "[ . 1 . 2]" 1
272 1 65 PHE H 1 66 HIS QB . . 4.660 4.466 4.350 4.526 . 0 0 "[ . 1 . 2]" 1
273 1 64 GLU H 1 65 PHE H . . 3.540 2.841 2.676 2.912 . 0 0 "[ . 1 . 2]" 1
274 1 65 PHE H 1 65 PHE QD . . 3.740 3.122 2.773 3.239 . 0 0 "[ . 1 . 2]" 1
275 1 63 GLU HA 1 65 PHE H . . 4.510 4.438 4.198 4.517 0.007 1 0 "[ . 1 . 2]" 1
276 1 62 ARG HA 1 65 PHE H . . 3.960 3.617 3.425 3.665 . 0 0 "[ . 1 . 2]" 1
277 1 65 PHE H 1 65 PHE HB3 . . 3.720 3.602 3.587 3.610 . 0 0 "[ . 1 . 2]" 1
278 1 61 CYS HA 1 65 PHE H . . 4.510 4.344 4.309 4.408 . 0 0 "[ . 1 . 2]" 1
279 1 65 PHE H 1 65 PHE HB2 . . 3.770 2.513 2.476 2.571 . 0 0 "[ . 1 . 2]" 1
280 1 64 GLU HB2 1 65 PHE H . . 3.900 2.783 2.590 3.003 . 0 0 "[ . 1 . 2]" 1
281 1 64 GLU HB3 1 65 PHE H . . 3.870 3.109 2.832 3.400 . 0 0 "[ . 1 . 2]" 1
282 1 21 PRO HB2 1 23 VAL H . . 3.010 2.770 2.391 3.018 0.008 2 0 "[ . 1 . 2]" 1
283 1 23 VAL H 1 23 VAL HB . . 3.410 3.151 2.409 3.553 0.143 10 0 "[ . 1 . 2]" 1
284 1 22 ALA MB 1 23 VAL H . . 3.820 3.667 3.597 3.726 . 0 0 "[ . 1 . 2]" 1
285 1 23 VAL H 1 23 VAL MG2 . . 4.050 2.569 1.713 4.024 . 0 0 "[ . 1 . 2]" 1
286 1 61 CYS H 1 63 GLU H . . 4.490 4.238 4.041 4.299 . 0 0 "[ . 1 . 2]" 1
287 1 61 CYS H 1 62 ARG H . . 3.790 2.961 2.891 3.019 . 0 0 "[ . 1 . 2]" 1
288 1 58 LEU HA 1 61 CYS H . . 3.890 3.791 3.537 3.878 . 0 0 "[ . 1 . 2]" 1
289 1 61 CYS H 1 61 CYS HB2 . . 3.700 2.551 2.383 2.611 . 0 0 "[ . 1 . 2]" 1
290 1 61 CYS H 1 61 CYS HG . . 3.470 2.527 2.448 2.725 . 0 0 "[ . 1 . 2]" 1
291 1 61 CYS H 1 64 GLU HB2 . . 5.210 5.008 4.832 5.232 0.022 12 0 "[ . 1 . 2]" 1
292 1 61 CYS H 1 61 CYS HB3 . . 3.690 3.592 3.577 3.596 . 0 0 "[ . 1 . 2]" 1
293 1 57 LEU MD1 1 61 CYS H . . 4.360 3.148 2.983 3.660 . 0 0 "[ . 1 . 2]" 1
294 1 57 LEU MD2 1 61 CYS H . . 4.360 3.610 3.464 4.426 0.066 19 0 "[ . 1 . 2]" 1
295 1 37 LEU MD1 1 61 CYS H . . 4.040 2.816 2.696 2.961 . 0 0 "[ . 1 . 2]" 1
296 1 16 PHE H 1 18 SER H . . 4.330 4.253 4.015 4.342 0.012 8 0 "[ . 1 . 2]" 1
297 1 12 GLU HA 1 16 PHE H . . 4.290 4.005 3.949 4.148 . 0 0 "[ . 1 . 2]" 1
298 1 13 MET HA 1 16 PHE H . . 4.220 3.509 3.433 3.561 . 0 0 "[ . 1 . 2]" 1
299 1 16 PHE H 1 16 PHE HB2 . . 3.450 2.125 2.095 2.143 . 0 0 "[ . 1 . 2]" 1
300 1 16 PHE H 1 16 PHE HB3 . . 3.470 3.425 3.390 3.445 . 0 0 "[ . 1 . 2]" 1
301 1 15 GLU HB3 1 16 PHE H . . 4.000 3.860 3.825 3.908 . 0 0 "[ . 1 . 2]" 1
302 1 15 GLU HB2 1 16 PHE H . . 4.100 3.735 2.451 3.855 . 0 0 "[ . 1 . 2]" 1
303 1 16 PHE H 1 16 PHE QD . . 3.710 2.856 2.587 3.490 . 0 0 "[ . 1 . 2]" 1
304 1 11 LYS H 1 12 GLU H . . 3.280 2.651 2.539 3.072 . 0 0 "[ . 1 . 2]" 1
305 1 9 MET HA 1 11 LYS H . . 4.780 4.263 4.112 4.791 0.011 14 0 "[ . 1 . 2]" 1
306 1 7 GLU QG 1 11 LYS H . . 4.410 4.187 4.001 4.298 . 0 0 "[ . 1 . 2]" 1
307 1 11 LYS H 1 13 MET HB2 . . 5.180 4.901 4.774 5.064 . 0 0 "[ . 1 . 2]" 1
308 1 11 LYS H 1 11 LYS HB2 . . 2.870 2.288 2.249 2.352 . 0 0 "[ . 1 . 2]" 1
309 1 11 LYS H 1 11 LYS HD2 . . 5.220 4.258 3.737 4.847 . 0 0 "[ . 1 . 2]" 1
310 1 11 LYS H 1 11 LYS HD3 . . 5.220 4.340 3.630 4.849 . 0 0 "[ . 1 . 2]" 1
311 1 11 LYS H 1 11 LYS HG2 . . 4.210 3.791 3.690 3.945 . 0 0 "[ . 1 . 2]" 1
312 1 11 LYS H 1 11 LYS HG3 . . 4.210 2.560 2.399 2.668 . 0 0 "[ . 1 . 2]" 1
313 1 10 ALA MB 1 11 LYS H . . 3.410 2.597 2.317 2.712 . 0 0 "[ . 1 . 2]" 1
314 1 34 LYS HG3 1 35 TYR H . . 4.210 2.924 1.892 4.147 . 0 0 "[ . 1 . 2]" 1
315 1 35 TYR H 1 35 TYR QD . . 3.380 3.233 2.864 3.396 0.016 6 0 "[ . 1 . 2]" 1
316 1 35 TYR H 1 35 TYR QB . . 3.080 2.285 2.220 2.418 . 0 0 "[ . 1 . 2]" 1
317 1 35 TYR H 1 60 ALA MB . . 4.050 3.831 3.709 3.960 . 0 0 "[ . 1 . 2]" 1
318 1 34 LYS HG2 1 35 TYR H . . 4.210 2.846 1.904 3.593 . 0 0 "[ . 1 . 2]" 1
319 1 7 GLU HB3 1 9 MET H . . 5.350 5.294 5.175 5.358 0.008 14 0 "[ . 1 . 2]" 1
320 1 8 GLN H 1 9 MET H . . 3.420 2.799 2.706 2.867 . 0 0 "[ . 1 . 2]" 1
321 1 9 MET H 1 11 LYS H . . 4.530 4.189 4.081 4.532 0.002 14 0 "[ . 1 . 2]" 1
322 1 6 PRO HA 1 9 MET H . . 4.180 3.793 3.720 3.897 . 0 0 "[ . 1 . 2]" 1
323 1 8 GLN HB2 1 9 MET H . . 4.050 3.734 3.662 3.796 . 0 0 "[ . 1 . 2]" 1
324 1 8 GLN HB3 1 9 MET H . . 4.050 2.301 2.187 2.394 . 0 0 "[ . 1 . 2]" 1
325 1 9 MET H 1 9 MET HB3 . . 3.520 2.572 2.503 2.613 . 0 0 "[ . 1 . 2]" 1
326 1 9 MET H 1 9 MET HG3 . . 4.010 3.209 3.143 3.366 . 0 0 "[ . 1 . 2]" 1
327 1 9 MET H 1 9 MET HB2 . . 3.710 3.594 3.591 3.600 . 0 0 "[ . 1 . 2]" 1
328 1 9 MET H 1 10 ALA MB . . 4.450 4.327 4.258 4.385 . 0 0 "[ . 1 . 2]" 1
329 1 12 GLU H 1 13 MET H . . 3.790 2.660 2.591 3.046 . 0 0 "[ . 1 . 2]" 1
330 1 12 GLU H 1 14 SER H . . 4.520 4.516 4.360 4.537 0.017 5 0 "[ . 1 . 2]" 1
331 1 9 MET HA 1 12 GLU H . . 4.440 3.452 3.312 4.026 . 0 0 "[ . 1 . 2]" 1
332 1 12 GLU H 1 12 GLU HG3 . . 4.200 3.137 1.907 3.537 . 0 0 "[ . 1 . 2]" 1
333 1 12 GLU H 1 12 GLU HB3 . . 3.890 3.586 3.574 3.606 . 0 0 "[ . 1 . 2]" 1
334 1 11 LYS HB2 1 12 GLU H . . 3.480 2.534 2.232 2.629 . 0 0 "[ . 1 . 2]" 1
335 1 11 LYS HB3 1 12 GLU H . . 3.940 3.299 2.876 3.413 . 0 0 "[ . 1 . 2]" 1
336 1 12 GLU H 1 13 MET ME . . 5.500 4.966 4.840 5.367 . 0 0 "[ . 1 . 2]" 1
337 1 11 LYS HG3 1 12 GLU H . . 5.300 4.485 4.419 4.547 . 0 0 "[ . 1 . 2]" 1
338 1 11 LYS HG2 1 12 GLU H . . 5.300 4.974 4.779 5.052 . 0 0 "[ . 1 . 2]" 1
339 1 46 ARG H 1 47 ASP H . . 3.750 2.815 2.701 2.885 . 0 0 "[ . 1 . 2]" 1
340 1 45 LEU H 1 46 ARG H . . 3.620 2.947 2.878 2.975 . 0 0 "[ . 1 . 2]" 1
341 1 46 ARG H 1 65 PHE QE . . 4.150 3.643 3.512 3.730 . 0 0 "[ . 1 . 2]" 1
342 1 44 GLU H 1 46 ARG H . . 4.560 4.577 4.565 4.585 0.025 14 0 "[ . 1 . 2]" 1
343 1 46 ARG H 1 65 PHE HZ . . 4.210 2.477 2.399 2.712 . 0 0 "[ . 1 . 2]" 1
344 1 46 ARG H 1 46 ARG QD . . 4.290 3.616 3.553 4.099 . 0 0 "[ . 1 . 2]" 1
345 1 46 ARG H 1 47 ASP HB3 . . 5.080 4.950 4.858 5.027 . 0 0 "[ . 1 . 2]" 1
346 1 45 LEU HB3 1 46 ARG H . . 3.810 3.158 3.091 3.289 . 0 0 "[ . 1 . 2]" 1
347 1 45 LEU HG 1 46 ARG H . . 4.910 4.178 4.065 4.253 . 0 0 "[ . 1 . 2]" 1
348 1 46 ARG H 1 46 ARG HB3 . . 3.580 2.390 2.358 2.533 . 0 0 "[ . 1 . 2]" 1
349 1 46 ARG H 1 46 ARG HG2 . . 3.810 2.341 2.158 2.398 . 0 0 "[ . 1 . 2]" 1
350 1 46 ARG H 1 46 ARG HG3 . . 3.690 3.652 3.251 3.710 0.020 12 0 "[ . 1 . 2]" 1
351 1 45 LEU HB2 1 46 ARG H . . 3.390 2.136 2.071 2.203 . 0 0 "[ . 1 . 2]" 1
352 1 46 ARG H 1 49 ILE HG12 . . 5.030 4.409 4.292 4.507 . 0 0 "[ . 1 . 2]" 1
353 1 45 LEU MD1 1 46 ARG H . . 4.830 4.074 3.990 4.193 . 0 0 "[ . 1 . 2]" 1
354 1 65 PHE HB3 1 66 HIS H . . 4.200 3.246 3.116 3.614 . 0 0 "[ . 1 . 2]" 1
355 1 66 HIS H 1 69 LEU HB2 . . 4.910 4.514 4.294 4.734 . 0 0 "[ . 1 . 2]" 1
356 1 62 ARG H 1 63 GLU H . . 3.590 2.903 2.814 2.952 . 0 0 "[ . 1 . 2]" 1
357 1 59 ALA HA 1 63 GLU H . . 4.200 3.985 3.862 4.201 0.001 3 0 "[ . 1 . 2]" 1
358 1 62 ARG QD 1 63 GLU H . . 5.240 4.782 4.294 5.261 0.021 16 0 "[ . 1 . 2]" 1
359 1 63 GLU H 1 63 GLU HG3 . . 3.780 3.517 3.452 3.594 . 0 0 "[ . 1 . 2]" 1
360 1 63 GLU H 1 63 GLU QB . . 3.030 2.363 2.278 2.402 . 0 0 "[ . 1 . 2]" 1
361 1 62 ARG HB2 1 63 GLU H . . 3.550 2.690 2.583 2.859 . 0 0 "[ . 1 . 2]" 1
362 1 62 ARG HB3 1 63 GLU H . . 4.040 3.304 3.156 3.468 . 0 0 "[ . 1 . 2]" 1
363 1 62 ARG H 1 62 ARG QD . . 4.540 3.680 1.831 4.394 . 0 0 "[ . 1 . 2]" 1
364 1 61 CYS HB2 1 62 ARG H . . 4.330 2.213 2.164 2.337 . 0 0 "[ . 1 . 2]" 1
365 1 62 ARG H 1 62 ARG HB2 . . 3.530 2.314 2.207 2.356 . 0 0 "[ . 1 . 2]" 1
366 1 62 ARG H 1 62 ARG HG3 . . 4.850 2.623 2.419 3.859 . 0 0 "[ . 1 . 2]" 1
367 1 68 ARG H 1 68 ARG HG2 . . 4.180 3.251 1.761 4.190 0.010 15 0 "[ . 1 . 2]" 1
368 1 67 ARG HB2 1 68 ARG H . . 4.380 2.642 2.178 3.812 . 0 0 "[ . 1 . 2]" 1
369 1 67 ARG HB3 1 68 ARG H . . 4.380 2.934 2.166 3.371 . 0 0 "[ . 1 . 2]" 1
370 1 68 ARG H 1 68 ARG HG3 . . 4.180 3.180 2.312 3.871 . 0 0 "[ . 1 . 2]" 1
371 1 13 MET H 1 14 SER HB3 . . 4.860 4.557 4.506 4.862 0.002 14 0 "[ . 1 . 2]" 1
372 1 13 MET H 1 13 MET HG3 . . 4.030 2.686 2.547 2.801 . 0 0 "[ . 1 . 2]" 1
373 1 13 MET H 1 13 MET HB2 . . 3.530 2.272 2.224 2.328 . 0 0 "[ . 1 . 2]" 1
374 1 13 MET H 1 13 MET HB3 . . 4.130 3.546 3.522 3.571 . 0 0 "[ . 1 . 2]" 1
375 1 13 MET H 1 13 MET HG2 . . 3.990 3.645 3.539 3.737 . 0 0 "[ . 1 . 2]" 1
376 1 39 LYS H 1 40 TRP HD1 . . 3.890 2.437 2.251 2.657 . 0 0 "[ . 1 . 2]" 1
377 1 38 SER HB3 1 39 LYS H . . 4.520 3.424 3.142 3.608 . 0 0 "[ . 1 . 2]" 1
378 1 38 SER HB2 1 39 LYS H . . 4.520 4.366 4.181 4.467 . 0 0 "[ . 1 . 2]" 1
379 1 37 LEU HA 1 39 LYS H . . 4.290 2.955 2.867 3.155 . 0 0 "[ . 1 . 2]" 1
380 1 39 LYS H 1 39 LYS HB2 . . 3.770 2.661 2.489 2.752 . 0 0 "[ . 1 . 2]" 1
381 1 39 LYS H 1 39 LYS HB3 . . 3.770 3.708 3.632 3.767 . 0 0 "[ . 1 . 2]" 1
382 1 39 LYS H 1 39 LYS QD . . 4.270 4.001 3.120 4.215 . 0 0 "[ . 1 . 2]" 1
383 1 39 LYS H 1 39 LYS HG2 . . 3.730 3.090 2.189 3.590 . 0 0 "[ . 1 . 2]" 1
384 1 39 LYS H 1 39 LYS HG3 . . 3.730 2.634 1.987 3.721 . 0 0 "[ . 1 . 2]" 1
385 1 48 THR H 1 49 ILE H . . 3.360 3.049 2.999 3.101 . 0 0 "[ . 1 . 2]" 1
386 1 48 THR H 1 50 ASN H . . 4.190 3.988 3.940 4.062 . 0 0 "[ . 1 . 2]" 1
387 1 40 TRP HZ3 1 48 THR H . . 4.730 4.436 4.253 4.572 . 0 0 "[ . 1 . 2]" 1
388 1 48 THR H 1 48 THR HG1 . . 3.300 2.083 1.504 2.569 . 0 0 "[ . 1 . 2]" 1
389 1 48 THR H 1 48 THR HB . . 3.140 2.840 2.745 2.898 . 0 0 "[ . 1 . 2]" 1
390 1 44 GLU HA 1 48 THR H . . 4.220 3.814 3.725 3.871 . 0 0 "[ . 1 . 2]" 1
391 1 45 LEU HA 1 48 THR H . . 4.480 3.606 3.531 3.711 . 0 0 "[ . 1 . 2]" 1
392 1 47 ASP HB3 1 48 THR H . . 3.360 2.337 2.252 2.422 . 0 0 "[ . 1 . 2]" 1
393 1 46 ARG HG2 1 48 THR H . . 5.270 4.785 4.711 5.270 . 0 0 "[ . 1 . 2]" 1
394 1 46 ARG HG3 1 48 THR H . . 5.220 4.988 4.825 5.062 . 0 0 "[ . 1 . 2]" 1
395 1 48 THR H 1 48 THR MG . . 3.770 3.682 3.648 3.718 . 0 0 "[ . 1 . 2]" 1
396 1 72 TYR H 1 73 HIS H . . 3.550 2.628 2.552 2.661 . 0 0 "[ . 1 . 2]" 1
397 1 71 VAL H 1 73 HIS H . . 4.480 4.020 3.862 4.125 . 0 0 "[ . 1 . 2]" 1
398 1 73 HIS H 1 73 HIS HD2 . . 4.250 3.468 2.525 3.931 . 0 0 "[ . 1 . 2]" 1
399 1 72 TYR QD 1 73 HIS H . . 3.630 3.619 3.370 3.680 0.050 15 0 "[ . 1 . 2]" 1
400 1 73 HIS H 1 73 HIS HB2 . . 3.080 2.315 2.269 2.355 . 0 0 "[ . 1 . 2]" 1
401 1 73 HIS H 1 74 ALA MB . . 4.330 4.175 4.092 4.243 . 0 0 "[ . 1 . 2]" 1
402 1 51 THR H 1 52 SER H . . 2.880 2.673 2.415 2.757 . 0 0 "[ . 1 . 2]" 1
403 1 52 SER H 1 52 SER HG . . 4.670 4.427 4.051 4.667 . 0 0 "[ . 1 . 2]" 1
404 1 52 SER H 1 52 SER HB2 . . 3.340 3.312 3.245 3.340 . 0 0 "[ . 1 . 2]" 1
405 1 52 SER H 1 52 SER HB3 . . 3.180 2.570 2.504 2.661 . 0 0 "[ . 1 . 2]" 1
406 1 50 ASN HB3 1 52 SER H . . 5.500 5.526 5.518 5.543 0.043 1 0 "[ . 1 . 2]" 1
407 1 50 ASN HB2 1 52 SER H . . 5.500 5.502 5.338 5.534 0.034 14 0 "[ . 1 . 2]" 1
408 1 15 GLU H 1 17 LEU H . . 5.000 4.449 4.185 4.651 . 0 0 "[ . 1 . 2]" 1
409 1 16 PHE QD 1 17 LEU H . . 4.970 4.506 4.404 4.613 . 0 0 "[ . 1 . 2]" 1
410 1 17 LEU H 1 65 PHE QD . . 5.490 5.025 4.653 5.498 0.008 2 0 "[ . 1 . 2]" 1
411 1 14 SER HA 1 17 LEU H . . 4.050 3.819 3.674 3.896 . 0 0 "[ . 1 . 2]" 1
412 1 16 PHE HB2 1 17 LEU H . . 3.930 2.906 2.739 3.077 . 0 0 "[ . 1 . 2]" 1
413 1 16 PHE HB3 1 17 LEU H . . 3.890 2.838 2.624 3.134 . 0 0 "[ . 1 . 2]" 1
414 1 17 LEU H 1 17 LEU HG . . 4.030 1.902 1.850 2.026 . 0 0 "[ . 1 . 2]" 1
415 1 17 LEU H 1 17 LEU HB3 . . 3.700 3.592 3.583 3.622 . 0 0 "[ . 1 . 2]" 1
416 1 17 LEU H 1 17 LEU HB2 . . 3.700 2.686 2.633 2.724 . 0 0 "[ . 1 . 2]" 1
417 1 17 LEU H 1 17 LEU MD1 . . 4.030 3.585 3.557 3.672 . 0 0 "[ . 1 . 2]" 1
418 1 42 TYR H 1 43 ALA H . . 3.710 2.887 2.789 3.029 . 0 0 "[ . 1 . 2]" 1
419 1 42 TYR QD 1 43 ALA H . . 3.660 3.612 3.452 3.671 0.011 3 0 "[ . 1 . 2]" 1
420 1 43 ALA H 1 44 GLU H . . 3.500 2.606 2.553 2.669 . 0 0 "[ . 1 . 2]" 1
421 1 41 LYS HA 1 43 ALA H . . 4.570 4.343 4.211 4.482 . 0 0 "[ . 1 . 2]" 1
422 1 42 TYR HB2 1 43 ALA H . . 4.020 3.962 3.895 4.010 . 0 0 "[ . 1 . 2]" 1
423 1 42 TYR HB3 1 43 ALA H . . 3.450 2.615 2.541 2.686 . 0 0 "[ . 1 . 2]" 1
424 1 41 LYS HB3 1 43 ALA H . . 3.670 3.253 3.136 3.604 . 0 0 "[ . 1 . 2]" 1
425 1 43 ALA H 1 44 GLU HG2 . . 5.330 4.346 4.090 5.348 0.018 3 0 "[ . 1 . 2]" 1
426 1 43 ALA H 1 44 GLU HG3 . . 5.330 5.180 4.151 5.353 0.023 18 0 "[ . 1 . 2]" 1
427 1 41 LYS HB2 1 43 ALA H . . 3.670 3.092 2.763 3.295 . 0 0 "[ . 1 . 2]" 1
428 1 43 ALA H 1 46 ARG HG2 . . 4.470 4.473 4.406 4.511 0.041 19 0 "[ . 1 . 2]" 1
429 1 47 ASP H 1 48 THR H . . 3.540 2.765 2.697 2.814 . 0 0 "[ . 1 . 2]" 1
430 1 44 GLU HA 1 47 ASP H . . 3.910 3.781 3.597 3.875 . 0 0 "[ . 1 . 2]" 1
431 1 47 ASP H 1 47 ASP HB2 . . 3.470 2.629 2.596 2.659 . 0 0 "[ . 1 . 2]" 1
432 1 47 ASP H 1 47 ASP HB3 . . 3.610 2.428 2.408 2.452 . 0 0 "[ . 1 . 2]" 1
433 1 46 ARG HG2 1 47 ASP H . . 3.530 2.082 1.974 2.667 . 0 0 "[ . 1 . 2]" 1
434 1 46 ARG HG3 1 47 ASP H . . 3.960 2.387 2.224 2.486 . 0 0 "[ . 1 . 2]" 1
435 1 46 ARG HB2 1 47 ASP H . . 3.890 3.826 3.751 3.874 . 0 0 "[ . 1 . 2]" 1
436 1 79 ASN H 1 80 LYS H . . 3.350 2.778 2.312 3.361 0.011 12 0 "[ . 1 . 2]" 1
437 1 78 LYS H 1 79 ASN H . . 3.100 2.334 2.251 2.406 . 0 0 "[ . 1 . 2]" 1
438 1 75 TRP HA 1 79 ASN H . . 4.360 4.037 3.887 4.290 . 0 0 "[ . 1 . 2]" 1
439 1 78 LYS HA 1 79 ASN H . . 3.520 3.489 3.396 3.525 0.005 13 0 "[ . 1 . 2]" 1
440 1 77 SER HB3 1 79 ASN H . . 5.220 4.938 4.784 5.078 . 0 0 "[ . 1 . 2]" 1
441 1 76 LYS HA 1 79 ASN H . . 4.140 3.252 3.143 3.303 . 0 0 "[ . 1 . 2]" 1
442 1 79 ASN H 1 79 ASN HB3 . . 3.760 3.651 3.558 3.773 0.013 18 0 "[ . 1 . 2]" 1
443 1 79 ASN H 1 79 ASN HB2 . . 3.160 2.429 2.281 2.625 . 0 0 "[ . 1 . 2]" 1
444 1 78 LYS HB2 1 79 ASN H . . 4.160 2.987 2.816 3.497 . 0 0 "[ . 1 . 2]" 1
445 1 76 LYS HB3 1 79 ASN H . . 5.500 5.302 5.191 5.406 . 0 0 "[ . 1 . 2]" 1
446 1 79 ASN H 1 80 LYS QG . . 4.490 4.194 4.001 4.504 0.014 9 0 "[ . 1 . 2]" 1
447 1 7 GLU H 1 9 MET H . . 4.550 4.365 4.241 4.471 . 0 0 "[ . 1 . 2]" 1
448 1 7 GLU H 1 8 GLN H . . 3.520 2.551 2.503 2.616 . 0 0 "[ . 1 . 2]" 1
449 1 5 THR HB 1 7 GLU H . . 3.590 3.278 3.056 3.372 . 0 0 "[ . 1 . 2]" 1
450 1 6 PRO QD 1 7 GLU H . . 3.230 2.842 2.772 3.030 . 0 0 "[ . 1 . 2]" 1
451 1 7 GLU H 1 7 GLU HB3 . . 3.770 2.516 2.278 2.593 . 0 0 "[ . 1 . 2]" 1
452 1 7 GLU H 1 7 GLU HB2 . . 3.110 2.576 2.489 2.826 . 0 0 "[ . 1 . 2]" 1
453 1 37 LEU H 1 38 SER H . . 3.220 2.700 2.527 2.853 . 0 0 "[ . 1 . 2]" 1
454 1 38 SER H 1 39 LYS H . . 3.460 2.678 2.586 2.767 . 0 0 "[ . 1 . 2]" 1
455 1 38 SER H 1 40 TRP H . . 4.350 4.211 4.049 4.360 0.010 12 0 "[ . 1 . 2]" 1
456 1 36 ASP HA 1 38 SER H . . 3.440 3.333 3.223 3.437 . 0 0 "[ . 1 . 2]" 1
457 1 38 SER H 1 38 SER HB3 . . 3.290 2.391 2.281 2.570 . 0 0 "[ . 1 . 2]" 1
458 1 38 SER H 1 38 SER HB2 . . 3.290 2.689 2.497 2.820 . 0 0 "[ . 1 . 2]" 1
459 1 37 LEU HB2 1 38 SER H . . 4.320 3.991 3.884 4.085 . 0 0 "[ . 1 . 2]" 1
460 1 37 LEU HB3 1 38 SER H . . 4.940 4.545 4.523 4.557 . 0 0 "[ . 1 . 2]" 1
461 1 37 LEU HG 1 38 SER H . . 5.340 4.559 4.393 4.676 . 0 0 "[ . 1 . 2]" 1
462 1 37 LEU MD2 1 38 SER H . . 4.680 4.338 4.256 4.397 . 0 0 "[ . 1 . 2]" 1
463 1 50 ASN H 1 52 SER H . . 4.780 4.382 4.175 4.442 . 0 0 "[ . 1 . 2]" 1
464 1 50 ASN H 1 50 ASN HB2 . . 3.120 2.118 2.093 2.215 . 0 0 "[ . 1 . 2]" 1
465 1 49 ILE HB 1 50 ASN H . . 4.030 3.919 3.828 4.012 . 0 0 "[ . 1 . 2]" 1
466 1 49 ILE HG13 1 50 ASN H . . 4.340 2.420 2.272 2.591 . 0 0 "[ . 1 . 2]" 1
467 1 50 ASN H 1 51 THR MG . . 4.080 3.794 3.737 3.884 . 0 0 "[ . 1 . 2]" 1
468 1 49 ILE HG12 1 50 ASN H . . 4.230 2.585 2.412 2.732 . 0 0 "[ . 1 . 2]" 1
469 1 49 ILE MG 1 50 ASN H . . 3.930 3.883 3.774 3.914 . 0 0 "[ . 1 . 2]" 1
470 1 5 THR H 1 9 MET H . . 4.440 3.806 3.528 4.048 . 0 0 "[ . 1 . 2]" 1
471 1 5 THR H 1 8 GLN H . . 4.470 3.988 3.709 4.103 . 0 0 "[ . 1 . 2]" 1
472 1 5 THR H 1 5 THR HB . . 4.030 3.810 3.728 3.855 . 0 0 "[ . 1 . 2]" 1
473 1 4 MET HA 1 5 THR H . . 2.720 2.206 2.130 2.284 . 0 0 "[ . 1 . 2]" 1
474 1 5 THR H 1 6 PRO QD . . 4.480 4.363 4.341 4.399 . 0 0 "[ . 1 . 2]" 1
475 1 4 MET ME 1 5 THR H . . 3.200 2.617 1.991 3.240 0.040 3 0 "[ . 1 . 2]" 1
476 1 5 THR H 1 5 THR MG . . 2.980 2.363 2.151 2.506 . 0 0 "[ . 1 . 2]" 1
477 1 17 LEU H 1 18 SER H . . 3.380 2.689 2.422 2.794 . 0 0 "[ . 1 . 2]" 1
478 1 18 SER H 1 19 ARG H . . 3.250 2.761 2.521 2.914 . 0 0 "[ . 1 . 2]" 1
479 1 18 SER H 1 18 SER HB2 . . 3.300 2.561 2.322 3.336 0.036 2 0 "[ . 1 . 2]" 1
480 1 18 SER H 1 18 SER HB3 . . 3.300 2.643 2.063 3.352 0.052 8 0 "[ . 1 . 2]" 1
481 1 17 LEU HG 1 18 SER H . . 4.040 3.875 3.800 4.032 . 0 0 "[ . 1 . 2]" 1
482 1 17 LEU HB3 1 18 SER H . . 3.930 3.717 3.616 3.935 0.005 13 0 "[ . 1 . 2]" 1
483 1 17 LEU HB2 1 18 SER H . . 3.930 2.459 2.350 2.748 . 0 0 "[ . 1 . 2]" 1
484 1 44 GLU H 1 45 LEU H . . 3.380 2.655 2.543 2.686 . 0 0 "[ . 1 . 2]" 1
485 1 40 TRP HE3 1 44 GLU H . . 5.120 5.100 5.054 5.141 0.021 5 0 "[ . 1 . 2]" 1
486 1 41 LYS HA 1 44 GLU H . . 4.700 4.447 4.353 4.558 . 0 0 "[ . 1 . 2]" 1
487 1 44 GLU H 1 44 GLU HG2 . . 3.830 2.237 2.012 3.044 . 0 0 "[ . 1 . 2]" 1
488 1 44 GLU H 1 44 GLU HB2 . . 3.980 2.507 2.437 2.543 . 0 0 "[ . 1 . 2]" 1
489 1 44 GLU H 1 46 ARG HG2 . . 4.550 4.335 4.311 4.454 . 0 0 "[ . 1 . 2]" 1
490 1 44 GLU H 1 45 LEU HB2 . . 5.140 4.774 4.723 4.835 . 0 0 "[ . 1 . 2]" 1
491 1 41 LYS H 1 44 GLU H . . 4.250 3.407 3.267 3.581 . 0 0 "[ . 1 . 2]" 1
492 1 79 ASN H 1 79 ASN HD22 . . 4.260 3.950 3.647 4.260 . 0 0 "[ . 1 . 2]" 1
493 1 79 ASN HA 1 79 ASN HD22 . . 4.380 4.085 3.790 4.350 . 0 0 "[ . 1 . 2]" 1
494 1 75 TRP HA 1 79 ASN HD22 . . 4.300 3.605 3.332 4.012 . 0 0 "[ . 1 . 2]" 1
495 1 79 ASN HB2 1 79 ASN HD22 . . 3.650 3.600 3.528 3.687 0.037 2 0 "[ . 1 . 2]" 1
496 1 79 ASN H 1 79 ASN HD21 . . 4.290 2.461 2.017 2.964 . 0 0 "[ . 1 . 2]" 1
497 1 78 LYS H 1 79 ASN HD21 . . 4.580 3.686 3.323 4.201 . 0 0 "[ . 1 . 2]" 1
498 1 75 TRP HD1 1 79 ASN HD21 . . 3.930 3.262 2.787 3.738 . 0 0 "[ . 1 . 2]" 1
499 1 75 TRP HA 1 79 ASN HD21 . . 4.390 2.872 2.673 3.102 . 0 0 "[ . 1 . 2]" 1
500 1 13 MET H 1 14 SER H . . 3.550 2.741 2.688 2.922 . 0 0 "[ . 1 . 2]" 1
501 1 14 SER H 1 15 GLU H . . 3.420 3.023 2.923 3.064 . 0 0 "[ . 1 . 2]" 1
502 1 14 SER H 1 14 SER HB3 . . 2.940 2.373 2.342 2.444 . 0 0 "[ . 1 . 2]" 1
503 1 13 MET HG3 1 14 SER H . . 4.810 4.456 4.398 4.592 . 0 0 "[ . 1 . 2]" 1
504 1 13 MET HB2 1 14 SER H . . 3.480 2.371 2.303 2.561 . 0 0 "[ . 1 . 2]" 1
505 1 13 MET ME 1 14 SER H . . 5.180 4.222 3.896 4.379 . 0 0 "[ . 1 . 2]" 1
506 1 14 SER H 1 69 LEU HG . . 5.460 3.748 3.455 4.962 . 0 0 "[ . 1 . 2]" 1
507 1 13 MET HB3 1 14 SER H . . 3.960 3.041 2.944 3.217 . 0 0 "[ . 1 . 2]" 1
508 1 14 SER H 1 69 LEU MD2 . . 3.800 3.602 3.346 3.789 . 0 0 "[ . 1 . 2]" 1
509 1 10 ALA MB 1 14 SER H . . 4.770 4.344 4.100 4.558 . 0 0 "[ . 1 . 2]" 1
510 1 32 THR H 1 33 LYS H . . 2.860 2.131 1.515 2.750 . 0 0 "[ . 1 . 2]" 1
511 1 32 THR H 1 32 THR HB . . 3.300 2.949 2.398 3.318 0.018 11 0 "[ . 1 . 2]" 1
512 1 31 GLY QA 1 32 THR H . . 2.760 2.589 2.132 2.784 0.024 18 0 "[ . 1 . 2]" 1
513 1 32 THR H 1 33 LYS QB . . 5.230 4.284 3.545 4.887 . 0 0 "[ . 1 . 2]" 1
514 1 32 THR H 1 33 LYS QD . . 5.500 4.839 4.164 5.498 . 0 0 "[ . 1 . 2]" 1
515 1 32 THR H 1 32 THR MG . . 2.980 2.026 1.744 2.480 . 0 0 "[ . 1 . 2]" 1
516 1 25 ALA H 1 26 THR H . . 3.170 2.406 1.647 3.181 0.011 16 0 "[ . 1 . 2]" 1
517 1 26 THR H 1 27 LYS H . . 3.510 2.766 1.896 3.502 . 0 0 "[ . 1 . 2]" 1
518 1 26 THR H 1 26 THR HB . . 3.940 3.161 2.478 3.947 0.007 6 0 "[ . 1 . 2]" 1
519 1 25 ALA MB 1 26 THR H . . 3.790 3.605 3.508 3.726 . 0 0 "[ . 1 . 2]" 1
520 1 26 THR H 1 26 THR MG . . 3.840 3.335 2.075 3.870 0.030 1 0 "[ . 1 . 2]" 1
521 1 24 LEU MD1 1 26 THR H . . 5.500 4.785 4.109 5.503 0.003 13 0 "[ . 1 . 2]" 1
522 1 24 LEU MD2 1 26 THR H . . 5.500 4.246 2.509 4.983 . 0 0 "[ . 1 . 2]" 1
523 1 74 ALA H 1 77 SER H . . 4.780 4.447 4.357 4.578 . 0 0 "[ . 1 . 2]" 1
524 1 76 LYS H 1 77 SER H . . 3.270 2.583 2.457 2.710 . 0 0 "[ . 1 . 2]" 1
525 1 77 SER H 1 78 LYS H . . 3.170 2.571 2.525 2.613 . 0 0 "[ . 1 . 2]" 1
526 1 75 TRP HE3 1 77 SER H . . 4.900 4.770 4.666 4.920 0.020 19 0 "[ . 1 . 2]" 1
527 1 77 SER H 1 77 SER HA . . 2.850 2.837 2.823 2.853 0.003 3 0 "[ . 1 . 2]" 1
528 1 77 SER H 1 77 SER HB3 . . 3.000 2.546 2.427 2.688 . 0 0 "[ . 1 . 2]" 1
529 1 77 SER H 1 77 SER HB2 . . 3.220 2.526 2.395 2.642 . 0 0 "[ . 1 . 2]" 1
530 1 75 TRP HB3 1 77 SER H . . 5.180 5.154 5.100 5.199 0.019 17 0 "[ . 1 . 2]" 1
531 1 76 LYS HB3 1 77 SER H . . 3.340 2.594 2.466 2.764 . 0 0 "[ . 1 . 2]" 1
532 1 76 LYS HB2 1 77 SER H . . 4.030 3.864 3.801 4.023 . 0 0 "[ . 1 . 2]" 1
533 1 4 MET ME 1 8 GLN HE21 . . 4.500 2.716 1.766 4.375 . 0 0 "[ . 1 . 2]" 1
534 1 4 MET ME 1 8 GLN HE22 . . 4.500 3.316 2.834 4.218 . 0 0 "[ . 1 . 2]" 1
535 1 47 ASP HA 1 50 ASN HD22 . . 4.660 4.484 4.349 4.669 0.009 1 0 "[ . 1 . 2]" 1
536 1 46 ARG HG3 1 50 ASN HD21 . . 4.640 3.104 2.804 4.070 . 0 0 "[ . 1 . 2]" 1
537 1 46 ARG HB3 1 46 ARG HE . . 4.550 4.320 2.597 4.506 . 0 0 "[ . 1 . 2]" 1
538 1 43 ALA MB 1 46 ARG HE . . 4.970 3.252 2.889 5.156 0.186 19 0 "[ . 1 . 2]" 1
539 1 19 ARG HE 1 19 ARG HG3 . . 4.150 3.133 2.431 3.626 . 0 0 "[ . 1 . 2]" 1
540 1 19 ARG HE 1 19 ARG HG2 . . 4.150 2.969 2.193 3.927 . 0 0 "[ . 1 . 2]" 1
541 1 62 ARG HB2 1 62 ARG HE . . 4.760 3.850 2.503 4.764 0.004 20 0 "[ . 1 . 2]" 1
542 1 67 ARG HB2 1 67 ARG HE . . 5.070 2.841 2.259 3.665 . 0 0 "[ . 1 . 2]" 1
543 1 67 ARG HB3 1 67 ARG HE . . 5.070 2.753 1.807 4.330 . 0 0 "[ . 1 . 2]" 1
544 1 19 ARG H 1 20 GLY H . . 3.510 2.464 2.209 2.696 . 0 0 "[ . 1 . 2]" 1
545 1 19 ARG HB2 1 20 GLY H . . 3.970 2.776 2.484 3.841 . 0 0 "[ . 1 . 2]" 1
546 1 19 ARG HG2 1 20 GLY H . . 5.080 4.560 3.540 5.029 . 0 0 "[ . 1 . 2]" 1
547 1 31 GLY H 1 32 THR H . . 3.610 2.666 1.750 3.615 0.005 3 0 "[ . 1 . 2]" 1
548 1 30 ALA HA 1 31 GLY H . . 2.710 2.357 2.147 2.716 0.006 14 0 "[ . 1 . 2]" 1
549 1 31 GLY H 1 31 GLY QA . . 2.690 2.331 2.196 2.497 . 0 0 "[ . 1 . 2]" 1
550 1 30 ALA MB 1 31 GLY H . . 3.200 2.613 1.857 3.204 0.004 18 0 "[ . 1 . 2]" 1
551 1 47 ASP HA 1 51 THR H . . 4.540 4.372 4.257 4.420 . 0 0 "[ . 1 . 2]" 1
552 1 51 THR H 1 52 SER HA . . 4.840 4.668 4.625 4.718 . 0 0 "[ . 1 . 2]" 1
553 1 51 THR H 1 51 THR HB . . 3.530 3.317 3.142 3.372 . 0 0 "[ . 1 . 2]" 1
554 1 48 THR HA 1 51 THR H . . 3.930 3.508 3.407 3.566 . 0 0 "[ . 1 . 2]" 1
555 1 51 THR H 1 52 SER HB3 . . 4.310 3.978 3.913 4.017 . 0 0 "[ . 1 . 2]" 1
556 1 50 ASN HB2 1 51 THR H . . 4.370 3.166 3.085 3.267 . 0 0 "[ . 1 . 2]" 1
557 1 34 LYS H 1 35 TYR QB . . 4.620 4.207 3.648 4.631 0.011 11 0 "[ . 1 . 2]" 1
558 1 35 TYR H 1 37 LEU HG . . 5.500 5.512 5.456 5.537 0.037 2 0 "[ . 1 . 2]" 1
559 1 34 LYS QE 1 35 TYR H . . 4.690 4.334 3.785 4.645 . 0 0 "[ . 1 . 2]" 1
560 1 37 LEU H 1 64 GLU HG3 . . 5.350 4.429 3.418 4.946 . 0 0 "[ . 1 . 2]" 1
561 1 37 LEU H 1 38 SER HB2 . . 5.150 4.661 4.437 4.850 . 0 0 "[ . 1 . 2]" 1
562 1 37 LEU H 1 38 SER HB3 . . 5.150 4.949 4.721 5.150 . 0 0 "[ . 1 . 2]" 1
563 1 37 LEU H 1 38 SER HA . . 4.650 4.616 4.565 4.662 0.012 4 0 "[ . 1 . 2]" 1
564 1 35 TYR HA 1 37 LEU H . . 5.500 5.211 5.185 5.259 . 0 0 "[ . 1 . 2]" 1
565 1 37 LEU MD1 1 38 SER H . . 5.500 5.426 5.316 5.501 0.001 18 0 "[ . 1 . 2]" 1
566 1 38 SER H 1 39 LYS HG3 . . 5.250 4.041 3.516 5.255 0.005 9 0 "[ . 1 . 2]" 1
567 1 38 SER H 1 39 LYS HG2 . . 5.250 4.640 3.518 5.139 . 0 0 "[ . 1 . 2]" 1
568 1 36 ASP HB3 1 38 SER H . . 4.780 3.568 3.097 4.662 . 0 0 "[ . 1 . 2]" 1
569 1 36 ASP HB2 1 38 SER H . . 4.780 4.044 3.063 4.754 . 0 0 "[ . 1 . 2]" 1
570 1 38 SER H 1 40 TRP HD1 . . 4.610 4.261 4.080 4.448 . 0 0 "[ . 1 . 2]" 1
571 1 37 LEU MD2 1 39 LYS H . . 5.190 4.656 4.555 4.775 . 0 0 "[ . 1 . 2]" 1
572 1 39 LYS H 1 40 TRP QB . . 4.700 4.133 3.998 4.371 . 0 0 "[ . 1 . 2]" 1
573 1 41 LYS H 1 45 LEU MD2 . . 5.350 4.372 4.021 4.790 . 0 0 "[ . 1 . 2]" 1
574 1 41 LYS H 1 41 LYS HG2 . . 4.040 2.330 1.981 2.609 . 0 0 "[ . 1 . 2]" 1
575 1 41 LYS H 1 44 GLU HA . . 5.030 4.790 4.660 4.920 . 0 0 "[ . 1 . 2]" 1
576 1 42 TYR QE 1 43 ALA H . . 5.500 5.388 5.174 5.501 0.001 1 0 "[ . 1 . 2]" 1
577 1 43 ALA H 1 46 ARG H . . 5.070 5.044 5.003 5.077 0.007 1 0 "[ . 1 . 2]" 1
578 1 44 GLU H 1 45 LEU MD1 . . 5.500 5.087 4.905 5.248 . 0 0 "[ . 1 . 2]" 1
579 1 44 GLU H 1 45 LEU MD2 . . 5.500 5.380 5.165 5.508 0.008 2 0 "[ . 1 . 2]" 1
580 1 44 GLU H 1 47 ASP HB2 . . 5.500 5.289 5.215 5.502 0.002 19 0 "[ . 1 . 2]" 1
581 1 44 GLU H 1 47 ASP HB3 . . 5.500 4.801 4.738 4.954 . 0 0 "[ . 1 . 2]" 1
582 1 40 TRP QB 1 44 GLU H . . 5.250 4.644 4.566 4.751 . 0 0 "[ . 1 . 2]" 1
583 1 44 GLU H 1 46 ARG QD . . 5.500 5.206 4.921 5.472 . 0 0 "[ . 1 . 2]" 1
584 1 43 ALA HA 1 45 LEU H . . 4.790 4.617 4.298 4.698 . 0 0 "[ . 1 . 2]" 1
585 1 45 LEU H 1 47 ASP HB3 . . 5.140 4.815 4.738 4.905 . 0 0 "[ . 1 . 2]" 1
586 1 45 LEU H 1 65 PHE HZ . . 5.120 4.569 4.493 4.894 . 0 0 "[ . 1 . 2]" 1
587 1 43 ALA H 1 45 LEU H . . 4.620 4.236 4.118 4.307 . 0 0 "[ . 1 . 2]" 1
588 1 45 LEU H 1 47 ASP H . . 4.920 3.985 3.887 4.079 . 0 0 "[ . 1 . 2]" 1
589 1 46 ARG H 1 49 ILE MG . . 5.190 4.875 4.694 4.992 . 0 0 "[ . 1 . 2]" 1
590 1 47 ASP H 1 48 THR HG1 . . 4.790 4.406 3.902 4.687 . 0 0 "[ . 1 . 2]" 1
591 1 48 THR H 1 49 ILE MG . . 4.840 4.434 4.244 4.537 . 0 0 "[ . 1 . 2]" 1
592 1 48 THR H 1 49 ILE MD . . 5.500 5.424 5.284 5.538 0.038 19 0 "[ . 1 . 2]" 1
593 1 48 THR H 1 49 ILE HG12 . . 4.650 4.183 4.099 4.302 . 0 0 "[ . 1 . 2]" 1
594 1 46 ARG H 1 48 THR H . . 4.700 4.541 4.439 4.636 . 0 0 "[ . 1 . 2]" 1
595 1 49 ILE H 1 50 ASN HB2 . . 4.960 4.563 4.515 4.700 . 0 0 "[ . 1 . 2]" 1
596 1 47 ASP HB3 1 49 ILE H . . 5.490 5.205 5.143 5.263 . 0 0 "[ . 1 . 2]" 1
597 1 49 ILE H 1 61 CYS HB3 . . 5.080 4.689 4.540 4.845 . 0 0 "[ . 1 . 2]" 1
598 1 50 ASN H 1 51 THR HB . . 5.500 5.417 5.196 5.507 0.007 20 0 "[ . 1 . 2]" 1
599 1 50 ASN H 1 52 SER HB2 . . 5.500 5.427 5.370 5.504 0.004 14 0 "[ . 1 . 2]" 1
600 1 47 ASP HB2 1 50 ASN H . . 5.500 5.568 5.552 5.580 0.080 3 0 "[ . 1 . 2]" 1
601 1 49 ILE MG 1 51 THR H . . 5.250 5.196 5.071 5.245 . 0 0 "[ . 1 . 2]" 1
602 1 49 ILE HB 1 51 THR H . . 5.500 5.465 5.357 5.523 0.023 19 0 "[ . 1 . 2]" 1
603 1 49 ILE HG13 1 51 THR H . . 5.100 4.726 4.629 4.882 . 0 0 "[ . 1 . 2]" 1
604 1 49 ILE H 1 51 THR H . . 4.650 4.145 4.040 4.189 . 0 0 "[ . 1 . 2]" 1
605 1 35 TYR QE 1 56 GLU H . . 5.490 5.374 5.267 5.509 0.019 3 0 "[ . 1 . 2]" 1
606 1 54 ASP HA 1 57 LEU H . . 4.770 4.522 4.370 4.660 . 0 0 "[ . 1 . 2]" 1
607 1 35 TYR QD 1 57 LEU H . . 5.300 5.008 4.567 5.147 . 0 0 "[ . 1 . 2]" 1
608 1 35 TYR QD 1 60 ALA H . . 5.100 4.847 4.515 5.081 . 0 0 "[ . 1 . 2]" 1
609 1 37 LEU MD2 1 61 CYS H . . 5.000 5.033 5.024 5.048 0.048 13 0 "[ . 1 . 2]" 1
610 1 5 THR MG 1 8 GLN HE21 . . 4.890 2.733 1.976 4.887 . 0 0 "[ . 1 . 2]" 1
611 1 16 PHE HB2 1 18 SER H . . 5.330 5.242 4.916 5.336 0.006 8 0 "[ . 1 . 2]" 1
612 1 16 PHE HB3 1 18 SER H . . 5.370 5.219 4.863 5.332 . 0 0 "[ . 1 . 2]" 1
613 1 13 MET HA 1 17 LEU H . . 4.730 4.259 4.187 4.343 . 0 0 "[ . 1 . 2]" 1
614 1 71 VAL HA 1 73 HIS H . . 4.850 4.295 4.060 4.395 . 0 0 "[ . 1 . 2]" 1
615 1 71 VAL MG1 1 73 HIS H . . 5.500 4.795 4.025 5.076 . 0 0 "[ . 1 . 2]" 1
616 1 71 VAL HB 1 73 HIS H . . 5.500 5.082 4.903 5.582 0.082 15 0 "[ . 1 . 2]" 1
617 1 70 LYS QB 1 73 HIS H . . 5.410 4.889 4.760 5.069 . 0 0 "[ . 1 . 2]" 1
618 1 5 THR H 1 7 GLU H . . 5.500 5.235 5.031 5.327 . 0 0 "[ . 1 . 2]" 1
619 1 11 LYS H 1 11 LYS QE . . 5.150 4.768 4.459 4.971 . 0 0 "[ . 1 . 2]" 1
620 1 11 LYS H 1 13 MET H . . 4.710 3.956 3.844 4.374 . 0 0 "[ . 1 . 2]" 1
621 1 17 LEU H 1 19 ARG H . . 4.710 4.077 3.884 4.324 . 0 0 "[ . 1 . 2]" 1
622 1 19 ARG HB3 1 20 GLY H . . 3.970 3.618 3.128 4.009 0.039 5 0 "[ . 1 . 2]" 1
623 1 46 ARG QD 1 47 ASP H . . 4.820 4.021 3.766 4.096 . 0 0 "[ . 1 . 2]" 1
624 1 46 ARG HG3 1 50 ASN HD22 . . 4.640 4.162 3.785 4.495 . 0 0 "[ . 1 . 2]" 1
625 1 46 ARG HB2 1 50 ASN HD22 . . 5.380 3.319 2.804 3.895 . 0 0 "[ . 1 . 2]" 1
626 1 47 ASP HA 1 50 ASN HD21 . . 4.660 2.855 2.653 3.446 . 0 0 "[ . 1 . 2]" 1
627 1 54 ASP HB2 1 58 LEU H . . 4.470 3.791 3.739 3.832 . 0 0 "[ . 1 . 2]" 1
628 1 58 LEU H 1 61 CYS HG . . 4.890 4.917 4.886 4.928 0.038 20 0 "[ . 1 . 2]" 1
629 1 54 ASP HA 1 58 LEU H . . 5.330 4.903 4.844 4.958 . 0 0 "[ . 1 . 2]" 1
630 1 56 GLU HB2 1 59 ALA H . . 5.500 5.510 5.375 5.541 0.041 3 0 "[ . 1 . 2]" 1
631 1 59 ALA H 1 61 CYS H . . 4.610 4.502 4.223 4.596 . 0 0 "[ . 1 . 2]" 1
632 1 60 ALA H 1 61 CYS HB2 . . 5.240 5.033 4.588 5.180 . 0 0 "[ . 1 . 2]" 1
633 1 12 GLU H 1 13 MET HG3 . . 5.300 4.822 4.682 5.303 0.003 14 0 "[ . 1 . 2]" 1
634 1 10 ALA MB 1 12 GLU H . . 4.920 4.681 4.598 4.772 . 0 0 "[ . 1 . 2]" 1
635 1 64 GLU H 1 65 PHE QD . . 5.260 5.210 4.795 5.275 0.015 9 0 "[ . 1 . 2]" 1
636 1 64 GLU H 1 65 PHE HB2 . . 5.170 4.983 4.838 5.054 . 0 0 "[ . 1 . 2]" 1
637 1 61 CYS HB2 1 63 GLU H . . 5.350 4.834 4.705 4.920 . 0 0 "[ . 1 . 2]" 1
638 1 59 ALA MB 1 63 GLU H . . 4.630 4.485 4.375 4.647 0.017 3 0 "[ . 1 . 2]" 1
639 1 63 GLU H 1 65 PHE QD . . 5.500 5.495 5.421 5.539 0.039 20 0 "[ . 1 . 2]" 1
640 1 72 TYR QD 1 74 ALA H . . 5.500 5.422 5.343 5.498 . 0 0 "[ . 1 . 2]" 1
641 1 73 HIS HD2 1 74 ALA H . . 5.500 5.299 4.833 5.493 . 0 0 "[ . 1 . 2]" 1
642 1 74 ALA H 1 75 TRP HE3 . . 5.500 5.536 5.523 5.545 0.045 10 0 "[ . 1 . 2]" 1
643 1 72 TYR QD 1 75 TRP H . . 5.500 5.443 5.291 5.510 0.010 1 0 "[ . 1 . 2]" 1
644 1 75 TRP HZ3 1 76 LYS H . . 4.710 4.445 4.296 4.596 . 0 0 "[ . 1 . 2]" 1
645 1 76 LYS QE 1 77 SER H . . 5.500 5.029 4.269 5.526 0.026 14 0 "[ . 1 . 2]" 1
646 1 77 SER H 1 78 LYS QE . . 5.500 5.088 4.510 5.514 0.014 20 0 "[ . 1 . 2]" 1
647 1 78 LYS H 1 79 ASN HB2 . . 4.580 4.494 4.318 4.592 0.012 11 0 "[ . 1 . 2]" 1
648 1 78 LYS H 1 78 LYS QE . . 4.930 3.803 3.108 4.462 . 0 0 "[ . 1 . 2]" 1
649 1 76 LYS H 1 78 LYS H . . 4.580 3.935 3.811 4.039 . 0 0 "[ . 1 . 2]" 1
650 1 78 LYS H 1 79 ASN HD22 . . 5.500 5.092 4.839 5.399 . 0 0 "[ . 1 . 2]" 1
651 1 8 GLN H 1 10 ALA MB . . 5.020 4.493 4.419 4.556 . 0 0 "[ . 1 . 2]" 1
652 1 75 TRP HA 1 78 LYS H . . 3.940 3.477 3.385 3.589 . 0 0 "[ . 1 . 2]" 1
653 1 72 TYR QE 1 76 LYS H . . 5.500 5.174 4.984 5.386 . 0 0 "[ . 1 . 2]" 1
654 1 76 LYS H 1 79 ASN HD21 . . 5.500 4.752 4.458 4.914 . 0 0 "[ . 1 . 2]" 1
655 1 72 TYR QD 1 76 LYS H . . 5.060 4.394 4.116 4.682 . 0 0 "[ . 1 . 2]" 1
656 1 76 LYS H 1 76 LYS QE . . 5.500 5.026 4.213 5.566 0.066 11 0 "[ . 1 . 2]" 1
657 1 72 TYR QE 1 73 HIS H . . 5.500 5.341 4.916 5.470 . 0 0 "[ . 1 . 2]" 1
658 1 70 LYS QD 1 73 HIS H . . 5.390 5.364 5.146 5.423 0.033 12 0 "[ . 1 . 2]" 1
659 1 70 LYS QE 1 71 VAL H . . 5.180 4.951 3.008 5.211 0.031 6 0 "[ . 1 . 2]" 1
660 1 70 LYS H 1 73 HIS HB2 . . 5.050 5.010 4.916 5.061 0.011 14 0 "[ . 1 . 2]" 1
661 1 70 LYS H 1 70 LYS QE . . 5.060 4.583 3.249 5.047 . 0 0 "[ . 1 . 2]" 1
662 1 59 ALA MB 1 62 ARG H . . 5.030 4.890 4.829 5.003 . 0 0 "[ . 1 . 2]" 1
663 1 62 ARG H 1 63 GLU QB . . 5.120 4.810 4.654 4.886 . 0 0 "[ . 1 . 2]" 1
664 1 62 ARG H 1 65 PHE QD . . 5.160 4.597 4.466 4.848 . 0 0 "[ . 1 . 2]" 1
665 1 3 LYS H 1 3 LYS QE . . 5.060 4.587 4.162 4.908 . 0 0 "[ . 1 . 2]" 1
666 1 5 THR MG 1 8 GLN HE22 . . 4.890 3.245 2.767 4.409 . 0 0 "[ . 1 . 2]" 1
667 1 9 MET H 1 42 TYR QE . . 5.360 5.230 4.761 5.374 0.014 14 0 "[ . 1 . 2]" 1
668 1 5 THR HA 1 9 MET H . . 5.460 5.256 5.162 5.298 . 0 0 "[ . 1 . 2]" 1
669 1 1 ARG H1 1 1 ARG QD . . 4.630 3.750 2.016 4.630 . 0 0 "[ . 1 . 2]" 1
670 1 2 PRO HD2 1 3 LYS H . . 5.500 5.441 5.197 5.511 0.011 18 0 "[ . 1 . 2]" 1
671 1 13 MET H 1 42 TYR QE . . 4.620 4.441 4.337 4.575 . 0 0 "[ . 1 . 2]" 1
672 1 13 MET H 1 16 PHE QD . . 5.500 5.099 4.276 5.437 . 0 0 "[ . 1 . 2]" 1
673 1 12 GLU HG3 1 13 MET H . . 4.990 4.773 4.062 4.992 0.002 15 0 "[ . 1 . 2]" 1
674 1 10 ALA MB 1 13 MET H . . 5.080 4.697 4.623 4.782 . 0 0 "[ . 1 . 2]" 1
675 1 9 MET HA 1 13 MET H . . 4.990 3.856 3.721 4.004 . 0 0 "[ . 1 . 2]" 1
676 1 67 ARG HA 1 67 ARG HE . . 5.470 4.497 3.972 5.147 . 0 0 "[ . 1 . 2]" 1
677 1 64 GLU HA 1 67 ARG HE . . 5.040 4.051 2.867 5.040 . 0 0 "[ . 1 . 2]" 1
678 1 7 GLU H 1 10 ALA MB . . 4.910 4.426 4.381 4.510 . 0 0 "[ . 1 . 2]" 1
679 1 6 PRO HB2 1 7 GLU H . . 3.800 3.176 3.072 3.236 . 0 0 "[ . 1 . 2]" 1
680 1 5 THR HA 1 7 GLU H . . 4.340 4.210 4.173 4.260 . 0 0 "[ . 1 . 2]" 1
681 1 7 GLU H 1 72 TYR QE . . 5.320 4.754 4.439 4.981 . 0 0 "[ . 1 . 2]" 1
682 1 10 ALA H 1 72 TYR QE . . 4.960 4.601 4.401 4.800 . 0 0 "[ . 1 . 2]" 1
683 1 10 ALA H 1 72 TYR QD . . 5.500 5.405 5.102 5.526 0.026 14 0 "[ . 1 . 2]" 1
684 1 14 SER H 1 15 GLU HG2 . . 4.970 4.300 3.784 4.401 . 0 0 "[ . 1 . 2]" 1
685 1 13 MET H 1 15 GLU H . . 4.650 4.273 4.146 4.471 . 0 0 "[ . 1 . 2]" 1
686 1 15 GLU H 1 16 PHE HB2 . . 4.550 4.512 4.448 4.585 0.035 14 0 "[ . 1 . 2]" 1
687 1 16 PHE H 1 16 PHE QE . . 5.260 5.091 4.933 5.325 0.065 9 0 "[ . 1 . 2]" 1
688 1 19 ARG H 1 19 ARG HD2 . . 5.500 4.463 2.378 5.177 . 0 0 "[ . 1 . 2]" 1
689 1 59 ALA HA 1 61 CYS H . . 4.800 4.751 4.637 4.810 0.010 3 0 "[ . 1 . 2]" 1
690 1 65 PHE QD 1 66 HIS H . . 4.570 4.174 4.104 4.395 . 0 0 "[ . 1 . 2]" 1
691 1 64 GLU H 1 66 HIS H . . 4.630 4.566 4.165 4.643 0.013 16 0 "[ . 1 . 2]" 1
692 1 66 HIS H 1 66 HIS QB . . 3.240 2.263 2.209 2.283 . 0 0 "[ . 1 . 2]" 1
693 1 65 PHE HB2 1 66 HIS H . . 4.220 2.206 2.107 2.594 . 0 0 "[ . 1 . 2]" 1
694 1 17 LEU HG 1 66 HIS H . . 5.320 4.945 4.798 5.274 . 0 0 "[ . 1 . 2]" 1
695 1 64 GLU H 1 67 ARG H . . 5.300 4.924 4.847 5.031 . 0 0 "[ . 1 . 2]" 1
696 1 67 ARG H 1 67 ARG HE . . 5.500 4.528 2.898 5.507 0.007 1 0 "[ . 1 . 2]" 1
697 1 65 PHE QD 1 68 ARG H . . 5.500 5.157 4.873 5.502 0.002 4 0 "[ . 1 . 2]" 1
698 1 68 ARG H 1 70 LYS H . . 5.190 4.669 4.176 5.177 . 0 0 "[ . 1 . 2]" 1
699 1 67 ARG HE 1 68 ARG H . . 5.500 4.863 3.968 5.510 0.010 12 0 "[ . 1 . 2]" 1
700 1 64 GLU HA 1 68 ARG H . . 5.190 4.140 3.829 4.415 . 0 0 "[ . 1 . 2]" 1
701 1 68 ARG H 1 68 ARG HD2 . . 5.200 4.442 3.910 4.753 . 0 0 "[ . 1 . 2]" 1
702 1 66 HIS QB 1 68 ARG H . . 5.090 4.982 4.549 5.144 0.054 6 0 "[ . 1 . 2]" 1
703 1 68 ARG H 1 68 ARG HD3 . . 5.200 4.778 4.021 5.063 . 0 0 "[ . 1 . 2]" 1
704 1 62 ARG HB3 1 62 ARG HE . . 5.410 3.951 1.957 5.150 . 0 0 "[ . 1 . 2]" 1
705 1 69 LEU MD2 1 70 LYS H . . 4.860 4.218 4.101 4.432 . 0 0 "[ . 1 . 2]" 1
706 1 67 ARG H 1 70 LYS H . . 5.170 4.898 4.743 5.084 . 0 0 "[ . 1 . 2]" 1
707 1 70 LYS H 1 73 HIS HD2 . . 5.130 4.157 3.777 4.633 . 0 0 "[ . 1 . 2]" 1
708 1 66 HIS QB 1 70 LYS H . . 5.300 5.301 5.194 5.334 0.034 12 0 "[ . 1 . 2]" 1
709 1 64 GLU HB3 1 68 ARG HE . . 5.030 2.565 2.089 2.982 . 0 0 "[ . 1 . 2]" 1
710 1 62 ARG HB3 1 65 PHE H . . 5.500 5.436 5.211 5.504 0.004 6 0 "[ . 1 . 2]" 1
711 1 65 PHE H 1 65 PHE QE . . 4.750 4.478 4.333 4.596 . 0 0 "[ . 1 . 2]" 1
712 1 64 GLU H 1 66 HIS QB . . 5.170 4.967 4.841 5.107 . 0 0 "[ . 1 . 2]" 1
713 1 62 ARG HA 1 64 GLU H . . 4.650 4.575 4.467 4.647 . 0 0 "[ . 1 . 2]" 1
714 1 63 GLU HG3 1 64 GLU H . . 4.910 4.853 4.760 4.916 0.006 14 0 "[ . 1 . 2]" 1
715 1 61 CYS HA 1 63 GLU H . . 4.710 4.418 4.253 4.533 . 0 0 "[ . 1 . 2]" 1
716 1 46 ARG HA 1 50 ASN H . . 4.790 4.210 4.142 4.243 . 0 0 "[ . 1 . 2]" 1
717 1 48 THR HA 1 50 ASN H . . 4.670 4.226 4.180 4.295 . 0 0 "[ . 1 . 2]" 1
718 1 3 LYS H 1 3 LYS HB2 . . 3.370 2.617 2.147 3.512 0.142 3 0 "[ . 1 . 2]" 1
719 1 37 LEU MD1 1 40 TRP HE1 . . 5.240 4.909 4.813 5.039 . 0 0 "[ . 1 . 2]" 1
720 1 37 LEU H 1 60 ALA MB . . 5.100 4.210 4.069 4.380 . 0 0 "[ . 1 . 2]" 1
721 1 10 ALA HA 1 12 GLU H . . 5.000 4.720 4.598 5.058 0.058 14 0 "[ . 1 . 2]" 1
722 1 37 LEU H 1 64 GLU HG2 . . 5.350 3.908 3.437 4.421 . 0 0 "[ . 1 . 2]" 1
723 1 75 TRP H 1 79 ASN HD21 . . 5.500 5.371 5.060 5.505 0.005 20 0 "[ . 1 . 2]" 1
724 1 73 HIS HB3 1 77 SER H . . 5.080 4.939 4.718 5.075 . 0 0 "[ . 1 . 2]" 1
725 1 75 TRP HB3 1 76 LYS H . . 3.680 2.813 2.717 2.944 . 0 0 "[ . 1 . 2]" 1
726 1 75 TRP H 1 77 SER H . . 4.370 4.155 4.041 4.320 . 0 0 "[ . 1 . 2]" 1
727 1 37 LEU HB2 1 40 TRP HE1 . . 5.500 5.502 5.443 5.520 0.020 19 0 "[ . 1 . 2]" 1
728 1 70 LYS QB 1 74 ALA H . . 4.980 4.908 4.849 4.968 . 0 0 "[ . 1 . 2]" 1
729 1 71 VAL HB 1 74 ALA H . . 5.500 5.365 5.231 5.504 0.004 20 0 "[ . 1 . 2]" 1
730 1 71 VAL H 1 74 ALA H . . 4.940 4.597 4.438 4.716 . 0 0 "[ . 1 . 2]" 1
731 1 67 ARG H 1 69 LEU H . . 4.990 3.856 3.727 4.059 . 0 0 "[ . 1 . 2]" 1
732 1 66 HIS HA 1 68 ARG H . . 5.500 4.971 4.559 5.353 . 0 0 "[ . 1 . 2]" 1
733 1 68 ARG HA 1 68 ARG HE . . 5.500 4.736 4.240 5.228 . 0 0 "[ . 1 . 2]" 1
734 1 65 PHE H 1 66 HIS H . . 3.060 2.887 2.619 2.960 . 0 0 "[ . 1 . 2]" 1
735 1 37 LEU MD1 1 62 ARG H . . 5.500 4.888 4.826 4.950 . 0 0 "[ . 1 . 2]" 1
736 1 57 LEU HB3 1 60 ALA H . . 5.500 5.375 4.921 5.524 0.024 3 0 "[ . 1 . 2]" 1
737 1 59 ALA H 1 60 ALA H . . 3.030 2.732 2.440 2.802 . 0 0 "[ . 1 . 2]" 1
738 1 57 LEU HA 1 59 ALA H . . 4.620 4.392 3.993 4.509 . 0 0 "[ . 1 . 2]" 1
739 1 55 ILE H 1 56 GLU HA . . 5.500 5.462 5.355 5.531 0.031 19 0 "[ . 1 . 2]" 1
740 1 54 ASP H 1 57 LEU H . . 5.360 5.204 5.098 5.322 . 0 0 "[ . 1 . 2]" 1
741 1 53 CYS H 1 53 CYS HB2 . . 3.470 3.263 3.209 3.324 . 0 0 "[ . 1 . 2]" 1
742 1 53 CYS H 1 58 LEU HG . . 5.500 5.464 5.348 5.511 0.011 15 0 "[ . 1 . 2]" 1
743 1 52 SER H 1 54 ASP H . . 5.460 5.466 5.422 5.481 0.021 6 0 "[ . 1 . 2]" 1
744 1 50 ASN HB3 1 51 THR H . . 3.830 3.530 3.452 3.788 . 0 0 "[ . 1 . 2]" 1
745 1 49 ILE H 1 50 ASN HA . . 5.450 5.288 5.250 5.317 . 0 0 "[ . 1 . 2]" 1
746 1 47 ASP HA 1 49 ILE H . . 5.330 4.848 4.779 4.950 . 0 0 "[ . 1 . 2]" 1
747 1 46 ARG HA 1 48 THR H . . 5.000 4.801 4.668 4.933 . 0 0 "[ . 1 . 2]" 1
748 1 44 GLU H 1 47 ASP H . . 5.180 4.640 4.615 4.729 . 0 0 "[ . 1 . 2]" 1
749 1 46 ARG H 1 46 ARG HE . . 5.450 5.061 4.332 5.330 . 0 0 "[ . 1 . 2]" 1
750 1 43 ALA HA 1 46 ARG H . . 4.160 4.048 3.804 4.114 . 0 0 "[ . 1 . 2]" 1
751 1 41 LYS H 1 45 LEU H . . 5.030 3.666 3.426 3.932 . 0 0 "[ . 1 . 2]" 1
752 1 42 TYR HB3 1 44 GLU H . . 5.140 4.995 4.910 5.082 . 0 0 "[ . 1 . 2]" 1
753 1 41 LYS HB2 1 42 TYR H . . 4.370 3.555 3.183 3.739 . 0 0 "[ . 1 . 2]" 1
754 1 10 ALA HA 1 13 MET H . . 4.350 3.630 3.501 3.777 . 0 0 "[ . 1 . 2]" 1
755 1 41 LYS H 1 43 ALA MB . . 5.500 5.189 4.970 5.490 . 0 0 "[ . 1 . 2]" 1
756 1 37 LEU MD1 1 40 TRP H . . 5.500 5.466 5.350 5.517 0.017 3 0 "[ . 1 . 2]" 1
757 1 39 LYS QD 1 40 TRP H . . 5.500 5.340 4.456 5.514 0.014 17 0 "[ . 1 . 2]" 1
758 1 40 TRP H 1 40 TRP HE1 . . 4.810 4.691 4.378 4.817 0.007 12 0 "[ . 1 . 2]" 1
759 1 36 ASP H 1 37 LEU HG . . 4.750 4.473 4.412 4.544 . 0 0 "[ . 1 . 2]" 1
760 1 23 VAL H 1 24 LEU H . . 4.010 3.499 1.866 4.060 0.050 10 0 "[ . 1 . 2]" 1
761 1 13 MET HB3 1 17 LEU H . . 5.160 5.096 4.976 5.179 0.019 5 0 "[ . 1 . 2]" 1
762 1 15 GLU H 1 15 GLU HG3 . . 3.530 3.509 3.132 3.560 0.030 4 0 "[ . 1 . 2]" 1
763 1 13 MET HA 1 15 GLU H . . 5.220 4.716 4.615 4.887 . 0 0 "[ . 1 . 2]" 1
764 1 10 ALA HA 1 14 SER H . . 4.130 3.624 3.314 4.124 . 0 0 "[ . 1 . 2]" 1
765 1 14 SER H 1 14 SER HB2 . . 3.230 2.722 2.647 2.755 . 0 0 "[ . 1 . 2]" 1
766 1 11 LYS HB2 1 13 MET H . . 5.500 4.909 4.838 5.005 . 0 0 "[ . 1 . 2]" 1
767 1 11 LYS HB3 1 13 MET H . . 5.500 5.368 5.299 5.481 . 0 0 "[ . 1 . 2]" 1
768 1 9 MET HG3 1 13 MET H . . 5.500 5.339 5.249 5.469 . 0 0 "[ . 1 . 2]" 1
769 1 11 LYS H 1 72 TYR QE . . 5.500 5.429 4.835 5.517 0.017 2 0 "[ . 1 . 2]" 1
770 1 4 MET ME 1 10 ALA H . . 4.910 4.918 4.847 4.950 0.040 18 0 "[ . 1 . 2]" 1
771 1 5 THR HB 1 9 MET H . . 5.500 5.503 5.434 5.520 0.020 5 0 "[ . 1 . 2]" 1
772 1 5 THR HB 1 8 GLN H . . 4.350 3.605 3.493 3.676 . 0 0 "[ . 1 . 2]" 1
773 1 4 MET H 1 4 MET HB2 . . 3.190 2.709 2.378 3.077 . 0 0 "[ . 1 . 2]" 1
774 1 49 ILE HA 1 54 ASP H . . 5.500 5.471 5.211 5.528 0.028 18 0 "[ . 1 . 2]" 1
775 1 54 ASP H 1 55 ILE HA . . 5.500 5.123 5.086 5.163 . 0 0 "[ . 1 . 2]" 1
776 1 37 LEU HA 1 40 TRP H . . 4.110 3.559 3.311 3.691 . 0 0 "[ . 1 . 2]" 1
777 1 63 GLU H 1 64 GLU HB2 . . 4.760 4.581 4.444 4.686 . 0 0 "[ . 1 . 2]" 1
778 1 76 LYS HB2 1 79 ASN H . . 5.500 5.494 5.418 5.520 0.020 5 0 "[ . 1 . 2]" 1
779 1 46 ARG HB2 1 50 ASN HD21 . . 5.380 3.078 2.711 4.411 . 0 0 "[ . 1 . 2]" 1
780 1 63 GLU HA 1 66 HIS HD2 . . 4.590 4.480 4.385 4.595 0.005 1 0 "[ . 1 . 2]" 1
781 1 70 LYS HA 1 73 HIS HD2 . . 4.020 3.109 2.785 4.025 0.005 3 0 "[ . 1 . 2]" 1
782 1 35 TYR QE 1 56 GLU HB2 . . 4.170 2.403 2.324 3.428 . 0 0 "[ . 1 . 2]" 1
783 1 35 TYR QE 1 56 GLU HB3 . . 4.630 3.679 3.517 4.586 . 0 0 "[ . 1 . 2]" 1
784 1 34 LYS HB2 1 35 TYR QE . . 5.500 4.945 4.005 5.355 . 0 0 "[ . 1 . 2]" 1
785 1 34 LYS QD 1 35 TYR QE . . 5.500 3.791 2.494 4.911 . 0 0 "[ . 1 . 2]" 1
786 1 49 ILE H 1 49 ILE MD . . 3.760 3.553 3.438 3.682 . 0 0 "[ . 1 . 2]" 1
787 1 49 ILE MD 1 62 ARG H . . 4.770 4.393 4.311 4.481 . 0 0 "[ . 1 . 2]" 1
788 1 49 ILE MD 1 50 ASN H . . 4.190 3.937 3.866 3.983 . 0 0 "[ . 1 . 2]" 1
789 1 16 PHE QD 1 49 ILE MD . . 3.520 2.437 2.136 3.488 . 0 0 "[ . 1 . 2]" 1
790 1 46 ARG HA 1 49 ILE MD . . 3.650 2.152 2.088 2.185 . 0 0 "[ . 1 . 2]" 1
791 1 49 ILE MD 1 62 ARG QD . . 5.160 4.467 2.700 4.928 . 0 0 "[ . 1 . 2]" 1
792 1 49 ILE MD 1 61 CYS HB2 . . 3.890 3.523 3.428 3.790 . 0 0 "[ . 1 . 2]" 1
793 1 49 ILE MD 1 61 CYS HB3 . . 3.580 3.233 3.095 3.438 . 0 0 "[ . 1 . 2]" 1
794 1 49 ILE HB 1 49 ILE MD . . 3.200 2.338 2.297 2.403 . 0 0 "[ . 1 . 2]" 1
795 1 49 ILE MD 1 49 ILE MG . . 2.920 1.939 1.760 1.991 . 0 0 "[ . 1 . 2]" 1
796 1 55 ILE H 1 55 ILE MD . . 3.550 3.410 1.588 3.561 0.011 7 0 "[ . 1 . 2]" 1
797 1 55 ILE HA 1 55 ILE MD . . 3.370 2.294 2.226 3.457 0.087 19 0 "[ . 1 . 2]" 1
798 1 55 ILE HB 1 55 ILE MD . . 3.380 3.121 2.157 3.174 . 0 0 "[ . 1 . 2]" 1
799 1 20 GLY HA3 1 21 PRO HD3 . . 3.730 3.028 2.614 3.357 . 0 0 "[ . 1 . 2]" 1
800 1 20 GLY HA3 1 21 PRO QG . . 4.490 4.223 4.119 4.368 . 0 0 "[ . 1 . 2]" 1
801 1 20 GLY HA2 1 21 PRO HD3 . . 3.730 2.384 2.270 2.534 . 0 0 "[ . 1 . 2]" 1
802 1 19 ARG HA 1 19 ARG HD2 . . 4.590 3.918 2.310 4.603 0.013 12 0 "[ . 1 . 2]" 1
803 1 45 LEU HB2 1 65 PHE QE . . 4.250 2.546 2.273 2.828 . 0 0 "[ . 1 . 2]" 1
804 1 50 ASN H 1 50 ASN HB3 . . 3.750 3.441 3.417 3.521 . 0 0 "[ . 1 . 2]" 1
805 1 50 ASN HB3 1 51 THR MG . . 4.250 3.709 3.470 4.259 0.009 15 0 "[ . 1 . 2]" 1
806 1 26 THR HB 1 27 LYS H . . 4.220 3.314 1.754 4.233 0.013 12 0 "[ . 1 . 2]" 1
807 1 32 THR HB 1 33 LYS H . . 4.230 4.160 4.017 4.270 0.040 20 0 "[ . 1 . 2]" 1
808 1 56 GLU HA 1 56 GLU HG2 . . 3.690 3.597 3.536 3.607 . 0 0 "[ . 1 . 2]" 1
809 1 12 GLU HA 1 12 GLU HG3 . . 3.970 3.540 3.010 3.741 . 0 0 "[ . 1 . 2]" 1
810 1 56 GLU HA 1 56 GLU HG3 . . 3.880 3.764 3.720 3.789 . 0 0 "[ . 1 . 2]" 1
811 1 12 GLU H 1 12 GLU HG2 . . 4.200 2.437 1.991 3.358 . 0 0 "[ . 1 . 2]" 1
812 1 12 GLU HA 1 12 GLU HG2 . . 3.970 2.735 2.357 2.965 . 0 0 "[ . 1 . 2]" 1
813 1 49 ILE H 1 49 ILE HB . . 3.620 3.594 3.578 3.600 . 0 0 "[ . 1 . 2]" 1
814 1 44 GLU HA 1 44 GLU HG2 . . 4.040 2.699 2.329 2.821 . 0 0 "[ . 1 . 2]" 1
815 1 44 GLU H 1 44 GLU HG3 . . 3.830 3.129 2.140 3.349 . 0 0 "[ . 1 . 2]" 1
816 1 7 GLU H 1 7 GLU QG . . 4.090 3.968 3.949 4.046 . 0 0 "[ . 1 . 2]" 1
817 1 12 GLU HA 1 15 GLU HG2 . . 3.330 2.374 2.127 2.419 . 0 0 "[ . 1 . 2]" 1
818 1 15 GLU H 1 15 GLU HG2 . . 3.310 2.165 1.702 2.216 . 0 0 "[ . 1 . 2]" 1
819 1 60 ALA MB 1 63 GLU HG3 . . 5.500 4.949 4.788 4.986 . 0 0 "[ . 1 . 2]" 1
820 1 15 GLU HA 1 15 GLU HG3 . . 3.790 3.731 3.714 3.860 0.070 14 0 "[ . 1 . 2]" 1
821 1 60 ALA HA 1 63 GLU HG3 . . 3.510 3.471 3.298 3.512 0.002 4 0 "[ . 1 . 2]" 1
822 1 63 GLU H 1 63 GLU HG2 . . 3.560 2.311 2.206 2.554 . 0 0 "[ . 1 . 2]" 1
823 1 63 GLU HA 1 63 GLU HG2 . . 3.450 2.705 2.569 2.758 . 0 0 "[ . 1 . 2]" 1
824 1 62 ARG HB2 1 63 GLU HG2 . . 4.170 3.648 3.540 3.836 . 0 0 "[ . 1 . 2]" 1
825 1 6 PRO HA 1 9 MET HB3 . . 4.230 4.247 4.237 4.253 0.023 14 0 "[ . 1 . 2]" 1
826 1 81 LYS HB3 1 82 ARG H . . 4.680 3.820 3.525 4.216 . 0 0 "[ . 1 . 2]" 1
827 1 33 LYS QB 1 33 LYS QE . . 4.210 3.216 2.150 3.686 . 0 0 "[ . 1 . 2]" 1
828 1 33 LYS QB 1 34 LYS H . . 4.250 3.693 2.843 4.049 . 0 0 "[ . 1 . 2]" 1
829 1 55 ILE HA 1 59 ALA H . . 4.200 4.047 3.786 4.209 0.009 19 0 "[ . 1 . 2]" 1
830 1 55 ILE HA 1 58 LEU HB2 . . 4.330 2.718 2.594 2.975 . 0 0 "[ . 1 . 2]" 1
831 1 55 ILE HA 1 55 ILE HG13 . . 3.920 3.724 2.585 3.795 . 0 0 "[ . 1 . 2]" 1
832 1 55 ILE HA 1 55 ILE HG12 . . 3.920 2.846 2.787 3.660 . 0 0 "[ . 1 . 2]" 1
833 1 52 SER HB3 1 58 LEU MD2 . . 4.390 2.371 2.169 3.614 . 0 0 "[ . 1 . 2]" 1
834 1 78 LYS HB3 1 79 ASN H . . 4.160 3.675 3.038 4.002 . 0 0 "[ . 1 . 2]" 1
835 1 6 PRO HB3 1 9 MET HG2 . . 4.430 4.429 4.416 4.437 0.007 13 0 "[ . 1 . 2]" 1
836 1 2 PRO HB2 1 3 LYS H . . 3.700 2.236 1.980 2.453 . 0 0 "[ . 1 . 2]" 1
837 1 49 ILE HA 1 49 ILE MD . . 4.250 4.113 4.107 4.121 . 0 0 "[ . 1 . 2]" 1
838 1 49 ILE HA 1 49 ILE HG13 . . 3.930 3.707 3.667 3.740 . 0 0 "[ . 1 . 2]" 1
839 1 6 PRO HB2 1 7 GLU HA . . 4.670 4.053 4.008 4.077 . 0 0 "[ . 1 . 2]" 1
840 1 70 LYS QB 1 70 LYS QE . . 4.140 2.540 2.133 3.630 . 0 0 "[ . 1 . 2]" 1
841 1 67 ARG HA 1 70 LYS QB . . 4.200 3.397 2.708 4.216 0.016 18 0 "[ . 1 . 2]" 1
842 1 61 CYS HA 1 61 CYS HG . . 4.320 3.509 3.325 3.578 . 0 0 "[ . 1 . 2]" 1
843 1 37 LEU MD1 1 61 CYS HA . . 3.560 2.470 2.295 2.605 . 0 0 "[ . 1 . 2]" 1
844 1 61 CYS HA 1 64 GLU HB2 . . 4.200 2.585 2.467 2.689 . 0 0 "[ . 1 . 2]" 1
845 1 60 ALA MB 1 61 CYS HA . . 4.260 3.725 3.687 3.764 . 0 0 "[ . 1 . 2]" 1
846 1 73 HIS HA 1 76 LYS HB2 . . 4.140 3.674 3.573 3.796 . 0 0 "[ . 1 . 2]" 1
847 1 82 ARG H 1 82 ARG HB2 . . 4.010 2.921 2.374 3.668 . 0 0 "[ . 1 . 2]" 1
848 1 82 ARG H 1 82 ARG HB3 . . 4.010 3.500 2.699 4.000 . 0 0 "[ . 1 . 2]" 1
849 1 42 TYR HA 1 42 TYR QD . . 3.740 2.315 2.281 2.365 . 0 0 "[ . 1 . 2]" 1
850 1 76 LYS HB3 1 77 SER HB2 . . 4.440 4.234 4.068 4.435 . 0 0 "[ . 1 . 2]" 1
851 1 1 ARG HB3 1 2 PRO HA . . 4.920 4.818 4.750 4.902 . 0 0 "[ . 1 . 2]" 1
852 1 23 VAL HA 1 24 LEU H . . 3.010 2.593 2.140 3.068 0.058 7 0 "[ . 1 . 2]" 1
853 1 1 ARG HB2 1 2 PRO HD3 . . 5.460 4.775 4.522 4.811 . 0 0 "[ . 1 . 2]" 1
854 1 1 ARG HB2 1 1 ARG QD . . 3.770 2.528 2.261 3.104 . 0 0 "[ . 1 . 2]" 1
855 1 26 THR HA 1 26 THR MG . . 2.690 2.304 2.207 2.438 . 0 0 "[ . 1 . 2]" 1
856 1 26 THR HA 1 27 LYS H . . 3.460 3.252 2.376 3.540 0.080 8 0 "[ . 1 . 2]" 1
857 1 56 GLU HB2 1 57 LEU H . . 4.060 3.327 3.169 3.415 . 0 0 "[ . 1 . 2]" 1
858 1 56 GLU H 1 56 GLU HB2 . . 3.640 3.582 3.556 3.586 . 0 0 "[ . 1 . 2]" 1
859 1 16 PHE HA 1 16 PHE QD . . 3.680 2.471 2.282 2.621 . 0 0 "[ . 1 . 2]" 1
860 1 12 GLU H 1 12 GLU HB2 . . 3.890 2.469 2.383 2.600 . 0 0 "[ . 1 . 2]" 1
861 1 72 TYR HA 1 72 TYR QE . . 5.090 4.619 4.549 4.899 . 0 0 "[ . 1 . 2]" 1
862 1 72 TYR HA 1 72 TYR QD . . 3.640 2.438 2.369 2.752 . 0 0 "[ . 1 . 2]" 1
863 1 49 ILE HA 1 49 ILE HG12 . . 4.010 3.707 3.664 3.765 . 0 0 "[ . 1 . 2]" 1
864 1 27 LYS H 1 27 LYS QD . . 5.050 3.978 3.392 4.620 . 0 0 "[ . 1 . 2]" 1
865 1 34 LYS H 1 34 LYS QD . . 4.010 3.400 1.774 3.959 . 0 0 "[ . 1 . 2]" 1
866 1 66 HIS HA 1 69 LEU HB2 . . 4.000 2.521 2.405 2.671 . 0 0 "[ . 1 . 2]" 1
867 1 66 HIS HA 1 69 LEU HB3 . . 4.140 3.843 3.555 4.141 0.001 14 0 "[ . 1 . 2]" 1
868 1 62 ARG HA 1 65 PHE QD . . 4.170 2.325 2.254 2.549 . 0 0 "[ . 1 . 2]" 1
869 1 41 LYS HA 1 41 LYS HD2 . . 4.170 2.572 2.262 2.676 . 0 0 "[ . 1 . 2]" 1
870 1 72 TYR QE 1 76 LYS QD . . 3.880 2.551 2.298 3.138 . 0 0 "[ . 1 . 2]" 1
871 1 34 LYS HA 1 34 LYS QD . . 4.660 4.238 3.612 4.480 . 0 0 "[ . 1 . 2]" 1
872 1 73 HIS HA 1 76 LYS QD . . 5.170 4.674 3.614 5.184 0.014 2 0 "[ . 1 . 2]" 1
873 1 75 TRP HZ3 1 76 LYS QD . . 4.050 2.681 2.220 3.253 . 0 0 "[ . 1 . 2]" 1
874 1 12 GLU HA 1 15 GLU HB2 . . 5.110 4.887 3.363 4.994 . 0 0 "[ . 1 . 2]" 1
875 1 75 TRP HA 1 75 TRP HD1 . . 4.010 3.317 3.218 3.413 . 0 0 "[ . 1 . 2]" 1
876 1 68 ARG HA 1 71 VAL H . . 3.890 3.690 3.547 3.919 0.029 15 0 "[ . 1 . 2]" 1
877 1 67 ARG HA 1 67 ARG HG2 . . 3.960 2.668 2.280 3.531 . 0 0 "[ . 1 . 2]" 1
878 1 68 ARG HA 1 68 ARG HG2 . . 4.150 3.040 2.368 3.684 . 0 0 "[ . 1 . 2]" 1
879 1 68 ARG HA 1 68 ARG HG3 . . 4.150 3.093 2.316 4.039 . 0 0 "[ . 1 . 2]" 1
880 1 14 SER HA 1 17 LEU MD2 . . 4.810 4.810 4.642 4.832 0.022 19 0 "[ . 1 . 2]" 1
881 1 73 HIS HA 1 76 LYS HB3 . . 3.420 2.610 2.429 2.771 . 0 0 "[ . 1 . 2]" 1
882 1 67 ARG HA 1 67 ARG HG3 . . 3.960 2.681 2.250 3.456 . 0 0 "[ . 1 . 2]" 1
883 1 67 ARG HA 1 70 LYS HG3 . . 4.750 3.669 2.478 4.423 . 0 0 "[ . 1 . 2]" 1
884 1 55 ILE HG12 1 56 GLU H . . 4.420 4.123 4.077 4.441 0.021 19 0 "[ . 1 . 2]" 1
885 1 62 ARG HB3 1 63 GLU HA . . 4.120 4.110 3.990 4.157 0.037 20 0 "[ . 1 . 2]" 1
886 1 63 GLU HA 1 66 HIS QB . . 3.520 2.635 2.514 2.786 . 0 0 "[ . 1 . 2]" 1
887 1 63 GLU HA 1 66 HIS H . . 3.940 3.580 3.349 3.761 . 0 0 "[ . 1 . 2]" 1
888 1 73 HIS HA 1 73 HIS HD2 . . 5.280 4.488 3.673 4.699 . 0 0 "[ . 1 . 2]" 1
889 1 11 LYS HA 1 14 SER H . . 4.170 3.836 3.625 3.947 . 0 0 "[ . 1 . 2]" 1
890 1 9 MET HA 1 12 GLU HB3 . . 4.750 4.400 4.162 4.671 . 0 0 "[ . 1 . 2]" 1
891 1 15 GLU HA 1 15 GLU HG2 . . 4.010 3.672 3.547 3.687 . 0 0 "[ . 1 . 2]" 1
892 1 15 GLU HA 1 18 SER H . . 4.040 3.240 2.929 3.480 . 0 0 "[ . 1 . 2]" 1
893 1 21 PRO QG 1 22 ALA H . . 4.530 4.102 3.832 4.427 . 0 0 "[ . 1 . 2]" 1
894 1 40 TRP HE3 1 45 LEU HG . . 4.740 3.589 3.371 4.012 . 0 0 "[ . 1 . 2]" 1
895 1 45 LEU HG 1 65 PHE QE . . 5.050 4.327 4.065 4.608 . 0 0 "[ . 1 . 2]" 1
896 1 19 ARG H 1 19 ARG HG3 . . 4.010 2.915 2.001 3.920 . 0 0 "[ . 1 . 2]" 1
897 1 24 LEU H 1 24 LEU HG . . 3.570 2.466 1.789 3.595 0.025 7 0 "[ . 1 . 2]" 1
898 1 46 ARG HA 1 65 PHE HZ . . 4.250 2.883 2.593 3.009 . 0 0 "[ . 1 . 2]" 1
899 1 46 ARG HA 1 46 ARG HG3 . . 3.830 3.717 3.683 3.730 . 0 0 "[ . 1 . 2]" 1
900 1 46 ARG HA 1 49 ILE HG12 . . 4.170 2.279 2.253 2.304 . 0 0 "[ . 1 . 2]" 1
901 1 57 LEU MD1 1 58 LEU HA . . 4.580 2.601 2.433 4.786 0.206 19 0 "[ . 1 . 2]" 1
902 1 1 ARG H1 1 1 ARG HG2 . . 5.310 4.011 3.529 4.653 . 0 0 "[ . 1 . 2]" 1
903 1 1 ARG H1 1 1 ARG HG3 . . 5.310 3.111 2.345 4.112 . 0 0 "[ . 1 . 2]" 1
904 1 44 GLU HA 1 47 ASP HB3 . . 3.590 2.579 2.406 2.744 . 0 0 "[ . 1 . 2]" 1
905 1 44 GLU HA 1 44 GLU HG3 . . 4.040 3.684 3.267 3.768 . 0 0 "[ . 1 . 2]" 1
906 1 45 LEU HA 1 45 LEU HG . . 4.240 2.908 2.823 3.015 . 0 0 "[ . 1 . 2]" 1
907 1 40 TRP HE3 1 45 LEU HA . . 3.840 3.251 3.155 3.392 . 0 0 "[ . 1 . 2]" 1
908 1 45 LEU HA 1 48 THR HB . . 4.200 3.211 3.029 3.387 . 0 0 "[ . 1 . 2]" 1
909 1 8 GLN HA 1 11 LYS H . . 4.070 3.526 3.442 3.681 . 0 0 "[ . 1 . 2]" 1
910 1 8 GLN HA 1 11 LYS HB2 . . 3.290 2.876 2.676 3.058 . 0 0 "[ . 1 . 2]" 1
911 1 37 LEU HA 1 37 LEU MD1 . . 4.070 3.851 3.800 3.880 . 0 0 "[ . 1 . 2]" 1
912 1 35 TYR QB 1 37 LEU MD1 . . 4.060 3.090 2.975 3.181 . 0 0 "[ . 1 . 2]" 1
913 1 37 LEU MD1 1 61 CYS HG . . 3.940 2.959 2.691 3.190 . 0 0 "[ . 1 . 2]" 1
914 1 37 LEU HB2 1 37 LEU MD1 . . 3.490 2.421 2.393 2.472 . 0 0 "[ . 1 . 2]" 1
915 1 37 LEU HB3 1 37 LEU MD1 . . 3.320 2.287 2.234 2.323 . 0 0 "[ . 1 . 2]" 1
916 1 57 LEU MD1 1 61 CYS HG . . 4.090 1.742 1.678 2.286 . 0 0 "[ . 1 . 2]" 1
917 1 57 LEU HB2 1 57 LEU MD1 . . 3.590 3.148 2.227 3.200 . 0 0 "[ . 1 . 2]" 1
918 1 75 TRP HE3 1 76 LYS HA . . 4.040 2.879 2.645 3.342 . 0 0 "[ . 1 . 2]" 1
919 1 76 LYS HA 1 76 LYS QD . . 3.640 3.192 2.235 3.747 0.107 17 0 "[ . 1 . 2]" 1
920 1 76 LYS HA 1 76 LYS HG2 . . 4.020 3.462 3.233 3.766 . 0 0 "[ . 1 . 2]" 1
921 1 76 LYS HA 1 76 LYS HG3 . . 4.020 2.472 2.273 2.791 . 0 0 "[ . 1 . 2]" 1
922 1 45 LEU MD2 1 61 CYS HA . . 4.900 2.619 2.284 2.916 . 0 0 "[ . 1 . 2]" 1
923 1 45 LEU MD2 1 64 GLU HG2 . . 5.340 3.507 2.973 4.914 . 0 0 "[ . 1 . 2]" 1
924 1 45 LEU MD2 1 46 ARG H . . 4.830 4.519 4.482 4.559 . 0 0 "[ . 1 . 2]" 1
925 1 45 LEU H 1 45 LEU MD2 . . 3.870 3.361 3.164 3.474 . 0 0 "[ . 1 . 2]" 1
926 1 45 LEU HB2 1 45 LEU MD2 . . 3.470 3.195 3.182 3.201 . 0 0 "[ . 1 . 2]" 1
927 1 37 LEU MD1 1 45 LEU MD2 . . 4.400 2.181 2.070 2.372 . 0 0 "[ . 1 . 2]" 1
928 1 40 TRP QB 1 45 LEU MD1 . . 3.980 2.763 2.547 3.095 . 0 0 "[ . 1 . 2]" 1
929 1 45 LEU HB2 1 45 LEU MD1 . . 3.470 2.293 2.239 2.378 . 0 0 "[ . 1 . 2]" 1
930 1 37 LEU MD1 1 45 LEU MD1 . . 4.400 3.842 3.664 4.141 . 0 0 "[ . 1 . 2]" 1
931 1 41 LYS H 1 41 LYS HG3 . . 4.040 3.811 3.567 3.939 . 0 0 "[ . 1 . 2]" 1
932 1 35 TYR HA 1 35 TYR QD . . 3.410 2.658 2.295 2.771 . 0 0 "[ . 1 . 2]" 1
933 1 35 TYR HA 1 37 LEU MD2 . . 4.120 3.899 3.699 4.022 . 0 0 "[ . 1 . 2]" 1
934 1 47 ASP HA 1 50 ASN H . . 3.790 3.425 3.392 3.467 . 0 0 "[ . 1 . 2]" 1
935 1 47 ASP HA 1 50 ASN HB2 . . 3.650 2.225 2.202 2.246 . 0 0 "[ . 1 . 2]" 1
936 1 41 LYS HA 1 41 LYS HG3 . . 4.000 3.807 3.780 3.957 . 0 0 "[ . 1 . 2]" 1
937 1 14 SER H 1 69 LEU MD1 . . 3.800 2.975 2.392 3.264 . 0 0 "[ . 1 . 2]" 1
938 1 10 ALA HA 1 69 LEU MD1 . . 4.110 2.430 2.100 3.314 . 0 0 "[ . 1 . 2]" 1
939 1 17 LEU MD1 1 66 HIS H . . 3.980 2.469 2.310 2.831 . 0 0 "[ . 1 . 2]" 1
940 1 17 LEU MD1 1 18 SER H . . 4.920 4.433 4.331 4.672 . 0 0 "[ . 1 . 2]" 1
941 1 17 LEU MD1 1 65 PHE QD . . 4.030 3.742 3.584 3.943 . 0 0 "[ . 1 . 2]" 1
942 1 17 LEU MD1 1 66 HIS HA . . 4.800 2.586 2.429 2.708 . 0 0 "[ . 1 . 2]" 1
943 1 14 SER HA 1 17 LEU MD1 . . 4.810 3.139 2.946 3.408 . 0 0 "[ . 1 . 2]" 1
944 1 17 LEU MD1 1 65 PHE HB3 . . 3.960 2.933 2.641 3.103 . 0 0 "[ . 1 . 2]" 1
945 1 17 LEU MD1 1 66 HIS QB . . 4.970 2.226 2.162 2.293 . 0 0 "[ . 1 . 2]" 1
946 1 17 LEU MD1 1 65 PHE HB2 . . 3.880 2.458 2.287 2.636 . 0 0 "[ . 1 . 2]" 1
947 1 17 LEU HB3 1 17 LEU MD1 . . 3.360 2.287 2.244 2.366 . 0 0 "[ . 1 . 2]" 1
948 1 17 LEU MD1 1 62 ARG HB3 . . 4.680 3.889 3.579 4.383 . 0 0 "[ . 1 . 2]" 1
949 1 17 LEU HB2 1 17 LEU MD1 . . 3.360 2.437 2.353 2.471 . 0 0 "[ . 1 . 2]" 1
950 1 17 LEU HA 1 17 LEU MD1 . . 4.190 3.770 3.750 3.790 . 0 0 "[ . 1 . 2]" 1
951 1 57 LEU HA 1 57 LEU MD1 . . 3.920 2.982 2.353 3.051 . 0 0 "[ . 1 . 2]" 1
952 1 70 LYS H 1 70 LYS HG3 . . 3.970 3.198 2.318 3.620 . 0 0 "[ . 1 . 2]" 1
953 1 58 LEU H 1 58 LEU MD1 . . 4.150 3.863 2.391 4.041 . 0 0 "[ . 1 . 2]" 1
954 1 54 ASP H 1 58 LEU MD1 . . 5.150 4.627 1.967 5.061 . 0 0 "[ . 1 . 2]" 1
955 1 49 ILE HA 1 58 LEU MD1 . . 2.950 2.485 2.266 2.993 0.043 15 0 "[ . 1 . 2]" 1
956 1 58 LEU HA 1 58 LEU MD1 . . 3.190 2.306 2.179 3.260 0.070 3 0 "[ . 1 . 2]" 1
957 1 11 LYS HA 1 11 LYS HG2 . . 3.680 2.434 2.359 2.549 . 0 0 "[ . 1 . 2]" 1
958 1 33 LYS HA 1 33 LYS HG3 . . 4.250 3.330 2.623 3.872 . 0 0 "[ . 1 . 2]" 1
959 1 34 LYS QE 1 34 LYS HG3 . . 3.800 2.434 2.220 3.246 . 0 0 "[ . 1 . 2]" 1
960 1 34 LYS QE 1 34 LYS HG2 . . 3.800 2.735 2.253 3.375 . 0 0 "[ . 1 . 2]" 1
961 1 27 LYS HA 1 27 LYS QG . . 3.040 2.475 2.272 3.260 0.220 14 0 "[ . 1 . 2]" 1
962 1 80 LYS HA 1 80 LYS QG . . 3.520 3.103 2.285 3.384 . 0 0 "[ . 1 . 2]" 1
963 1 69 LEU HA 1 69 LEU MD2 . . 3.860 2.207 2.062 2.244 . 0 0 "[ . 1 . 2]" 1
964 1 69 LEU MD2 1 72 TYR QD . . 4.380 3.932 2.014 4.383 0.003 20 0 "[ . 1 . 2]" 1
965 1 58 LEU H 1 58 LEU MD2 . . 4.150 2.121 1.809 4.210 0.060 15 0 "[ . 1 . 2]" 1
966 1 54 ASP H 1 58 LEU MD2 . . 5.150 2.713 2.434 4.449 . 0 0 "[ . 1 . 2]" 1
967 1 58 LEU MD2 1 59 ALA H . . 4.750 4.217 4.113 4.807 0.057 3 0 "[ . 1 . 2]" 1
968 1 49 ILE HA 1 58 LEU MD2 . . 2.950 2.260 2.216 2.530 . 0 0 "[ . 1 . 2]" 1
969 1 58 LEU HA 1 58 LEU MD2 . . 3.190 2.198 2.076 3.219 0.029 15 0 "[ . 1 . 2]" 1
970 1 19 ARG HA 1 19 ARG HG3 . . 3.910 3.361 2.294 3.733 . 0 0 "[ . 1 . 2]" 1
971 1 19 ARG HA 1 19 ARG HG2 . . 3.910 2.681 2.284 4.080 0.170 2 0 "[ . 1 . 2]" 1
972 1 32 THR MG 1 33 LYS HA . . 4.160 3.385 3.208 3.951 . 0 0 "[ . 1 . 2]" 1
973 1 76 LYS H 1 76 LYS HG2 . . 5.210 4.530 4.360 4.642 . 0 0 "[ . 1 . 2]" 1
974 1 76 LYS H 1 76 LYS HG3 . . 5.210 4.413 4.397 4.443 . 0 0 "[ . 1 . 2]" 1
975 1 42 TYR QD 1 43 ALA HA . . 4.290 3.971 3.836 4.039 . 0 0 "[ . 1 . 2]" 1
976 1 43 ALA HA 1 46 ARG HG2 . . 3.870 2.278 2.128 2.304 . 0 0 "[ . 1 . 2]" 1
977 1 43 ALA HA 1 46 ARG HB2 . . 4.900 4.907 4.718 4.975 0.075 18 0 "[ . 1 . 2]" 1
978 1 59 ALA HA 1 62 ARG HB2 . . 4.000 2.624 2.538 2.780 . 0 0 "[ . 1 . 2]" 1
979 1 59 ALA HA 1 62 ARG HB3 . . 4.610 4.119 3.966 4.321 . 0 0 "[ . 1 . 2]" 1
980 1 24 LEU HA 1 25 ALA MB . . 4.210 3.918 3.780 4.210 . 0 0 "[ . 1 . 2]" 1
981 1 74 ALA HA 1 77 SER H . . 4.050 3.492 3.283 3.660 . 0 0 "[ . 1 . 2]" 1
982 1 60 ALA HA 1 63 GLU H . . 3.900 3.738 3.530 3.833 . 0 0 "[ . 1 . 2]" 1
983 1 60 ALA HA 1 63 GLU QB . . 3.480 2.791 2.543 2.948 . 0 0 "[ . 1 . 2]" 1
984 1 59 ALA MB 1 60 ALA HA . . 3.880 3.741 3.698 3.806 . 0 0 "[ . 1 . 2]" 1
985 1 24 LEU HA 1 24 LEU HG . . 3.560 2.729 2.261 3.296 . 0 0 "[ . 1 . 2]" 1
986 1 17 LEU MD2 1 66 HIS H . . 3.980 3.453 3.222 3.713 . 0 0 "[ . 1 . 2]" 1
987 1 17 LEU H 1 17 LEU MD2 . . 4.030 2.643 2.507 2.870 . 0 0 "[ . 1 . 2]" 1
988 1 17 LEU MD2 1 18 SER H . . 4.920 4.375 4.312 4.415 . 0 0 "[ . 1 . 2]" 1
989 1 17 LEU MD2 1 65 PHE QD . . 4.030 2.349 2.213 2.537 . 0 0 "[ . 1 . 2]" 1
990 1 17 LEU HA 1 17 LEU MD2 . . 4.190 2.085 2.061 2.099 . 0 0 "[ . 1 . 2]" 1
991 1 17 LEU HB3 1 17 LEU MD2 . . 3.360 2.372 2.341 2.408 . 0 0 "[ . 1 . 2]" 1
992 1 17 LEU HB2 1 17 LEU MD2 . . 3.360 3.196 3.193 3.198 . 0 0 "[ . 1 . 2]" 1
993 1 17 LEU MD2 1 62 ARG HB3 . . 4.680 2.423 2.239 2.892 . 0 0 "[ . 1 . 2]" 1
994 1 17 LEU MD2 1 65 PHE HB2 . . 3.880 2.442 2.299 2.692 . 0 0 "[ . 1 . 2]" 1
995 1 71 VAL MG1 1 72 TYR H . . 3.880 3.136 1.749 3.652 . 0 0 "[ . 1 . 2]" 1
996 1 71 VAL H 1 71 VAL MG1 . . 3.900 3.479 2.307 3.751 . 0 0 "[ . 1 . 2]" 1
997 1 68 ARG HA 1 71 VAL MG1 . . 4.490 3.645 2.016 4.333 . 0 0 "[ . 1 . 2]" 1
998 1 71 VAL HA 1 71 VAL MG1 . . 3.310 2.491 2.263 3.176 . 0 0 "[ . 1 . 2]" 1
999 1 40 TRP HZ3 1 48 THR MG . . 3.420 2.810 2.624 2.984 . 0 0 "[ . 1 . 2]" 1
1000 1 48 THR MG 1 52 SER HB3 . . 3.560 3.187 3.029 3.461 . 0 0 "[ . 1 . 2]" 1
1001 1 48 THR MG 1 57 LEU MD2 . . 3.390 3.054 1.986 3.279 . 0 0 "[ . 1 . 2]" 1
1002 1 48 THR MG 1 52 SER HB2 . . 3.450 2.280 2.249 2.380 . 0 0 "[ . 1 . 2]" 1
1003 1 5 THR MG 1 8 GLN H . . 4.530 3.904 3.830 4.059 . 0 0 "[ . 1 . 2]" 1
1004 1 5 THR HA 1 5 THR MG . . 2.820 2.541 2.376 2.596 . 0 0 "[ . 1 . 2]" 1
1005 1 5 THR MG 1 6 PRO QD . . 3.610 3.532 3.312 3.594 . 0 0 "[ . 1 . 2]" 1
1006 1 40 TRP HH2 1 57 LEU MD2 . . 5.250 4.181 3.779 4.807 . 0 0 "[ . 1 . 2]" 1
1007 1 57 LEU HA 1 57 LEU MD2 . . 3.920 2.095 1.988 3.880 . 0 0 "[ . 1 . 2]" 1
1008 1 57 LEU MD2 1 61 CYS HG . . 4.090 2.965 2.738 3.072 . 0 0 "[ . 1 . 2]" 1
1009 1 57 LEU HB2 1 57 LEU MD2 . . 3.590 2.422 2.403 2.648 . 0 0 "[ . 1 . 2]" 1
1010 1 68 ARG HA 1 71 VAL MG2 . . 4.490 3.524 3.188 4.476 . 0 0 "[ . 1 . 2]" 1
1011 1 71 VAL HA 1 71 VAL MG2 . . 3.310 2.342 2.195 2.437 . 0 0 "[ . 1 . 2]" 1
1012 1 23 VAL H 1 23 VAL MG1 . . 4.050 3.178 2.229 4.015 . 0 0 "[ . 1 . 2]" 1
1013 1 23 VAL HA 1 23 VAL MG1 . . 3.210 2.473 2.235 3.196 . 0 0 "[ . 1 . 2]" 1
1014 1 22 ALA HA 1 23 VAL H . . 2.920 2.824 2.626 2.959 0.039 13 0 "[ . 1 . 2]" 1
1015 1 25 ALA HA 1 26 THR H . . 3.050 2.902 2.404 3.078 0.028 15 0 "[ . 1 . 2]" 1
1016 1 37 LEU MD2 1 40 TRP HZ2 . . 3.750 3.466 3.264 3.624 . 0 0 "[ . 1 . 2]" 1
1017 1 37 LEU MD2 1 40 TRP HD1 . . 4.020 3.468 3.381 3.598 . 0 0 "[ . 1 . 2]" 1
1018 1 35 TYR QD 1 37 LEU MD2 . . 3.570 2.712 2.425 2.910 . 0 0 "[ . 1 . 2]" 1
1019 1 35 TYR QB 1 37 LEU MD2 . . 3.340 2.550 2.381 2.648 . 0 0 "[ . 1 . 2]" 1
1020 1 37 LEU MD2 1 60 ALA MB . . 3.630 3.157 3.032 3.311 . 0 0 "[ . 1 . 2]" 1
1021 1 37 LEU HB2 1 37 LEU MD2 . . 3.490 3.195 3.193 3.197 . 0 0 "[ . 1 . 2]" 1
1022 1 37 LEU HB3 1 37 LEU MD2 . . 3.220 2.297 2.266 2.348 . 0 0 "[ . 1 . 2]" 1
1023 1 1 ARG HA 1 2 PRO HD3 . . 2.650 2.316 2.176 2.344 . 0 0 "[ . 1 . 2]" 1
1024 1 1 ARG HB2 1 2 PRO HD2 . . 3.700 3.754 3.741 3.762 0.062 4 0 "[ . 1 . 2]" 1
1025 1 1 ARG HB3 1 2 PRO HD2 . . 3.640 2.214 2.193 2.248 . 0 0 "[ . 1 . 2]" 1
1026 1 1 ARG HA 1 2 PRO HD2 . . 2.710 2.428 2.362 2.725 0.015 9 0 "[ . 1 . 2]" 1
1027 1 43 ALA MB 1 44 GLU H . . 3.210 2.584 2.532 2.822 . 0 0 "[ . 1 . 2]" 1
1028 1 5 THR HB 1 6 PRO QD . . 3.500 2.239 2.185 2.269 . 0 0 "[ . 1 . 2]" 1
1029 1 60 ALA H 1 60 ALA MB . . 2.880 2.201 2.160 2.233 . 0 0 "[ . 1 . 2]" 1
1030 1 35 TYR QD 1 60 ALA MB . . 3.370 3.129 2.734 3.212 . 0 0 "[ . 1 . 2]" 1
1031 1 35 TYR QE 1 60 ALA MB . . 4.620 4.603 4.395 4.653 0.033 15 0 "[ . 1 . 2]" 1
1032 1 57 LEU HA 1 60 ALA MB . . 3.350 2.637 2.278 3.031 . 0 0 "[ . 1 . 2]" 1
1033 1 35 TYR QB 1 60 ALA MB . . 3.380 1.978 1.915 2.050 . 0 0 "[ . 1 . 2]" 1
1034 1 37 LEU MD1 1 60 ALA MB . . 3.040 1.990 1.898 2.119 . 0 0 "[ . 1 . 2]" 1
1035 1 60 ALA MB 1 61 CYS H . . 3.420 2.166 2.098 2.248 . 0 0 "[ . 1 . 2]" 1
1036 1 74 ALA MB 1 76 LYS H . . 4.690 4.297 4.145 4.462 . 0 0 "[ . 1 . 2]" 1
1037 1 74 ALA MB 1 75 TRP H . . 3.000 2.263 2.170 2.471 . 0 0 "[ . 1 . 2]" 1
1038 1 71 VAL HA 1 74 ALA MB . . 3.120 2.441 2.291 2.617 . 0 0 "[ . 1 . 2]" 1
1039 1 74 ALA MB 1 75 TRP HB2 . . 4.390 4.115 4.009 4.239 . 0 0 "[ . 1 . 2]" 1
1040 1 60 ALA MB 1 62 ARG H . . 4.850 4.612 4.563 4.659 . 0 0 "[ . 1 . 2]" 1
1041 1 59 ALA MB 1 61 CYS H . . 4.690 4.708 4.675 4.751 0.061 19 0 "[ . 1 . 2]" 1
1042 1 59 ALA H 1 59 ALA MB . . 2.640 2.208 2.179 2.233 . 0 0 "[ . 1 . 2]" 1
1043 1 56 GLU HA 1 59 ALA MB . . 2.940 2.782 2.477 2.900 . 0 0 "[ . 1 . 2]" 1
1044 1 59 ALA MB 1 63 GLU HG3 . . 4.000 3.756 3.539 4.001 0.001 10 0 "[ . 1 . 2]" 1
1045 1 59 ALA MB 1 63 GLU HG2 . . 4.220 3.625 3.479 3.919 . 0 0 "[ . 1 . 2]" 1
1046 1 55 ILE MG 1 58 LEU H . . 5.040 5.054 5.039 5.103 0.063 3 0 "[ . 1 . 2]" 1
1047 1 55 ILE MG 1 56 GLU H . . 3.400 3.059 3.011 3.348 . 0 0 "[ . 1 . 2]" 1
1048 1 55 ILE MG 1 56 GLU HA . . 3.700 3.359 3.285 3.743 0.043 19 0 "[ . 1 . 2]" 1
1049 1 55 ILE HA 1 55 ILE MG . . 2.900 2.263 2.246 2.275 . 0 0 "[ . 1 . 2]" 1
1050 1 55 ILE MG 1 59 ALA H . . 4.260 4.148 4.027 4.294 0.034 19 0 "[ . 1 . 2]" 1
1051 1 49 ILE H 1 49 ILE MG . . 3.490 2.030 1.853 2.106 . 0 0 "[ . 1 . 2]" 1
1052 1 49 ILE HA 1 49 ILE MG . . 3.510 2.305 2.270 2.382 . 0 0 "[ . 1 . 2]" 1
1053 1 49 ILE MG 1 58 LEU HA . . 3.790 2.318 2.252 2.653 . 0 0 "[ . 1 . 2]" 1
1054 1 46 ARG HA 1 49 ILE MG . . 3.790 3.666 3.534 3.793 0.003 1 0 "[ . 1 . 2]" 1
1055 1 49 ILE MG 1 61 CYS HB3 . . 4.030 2.538 2.212 2.666 . 0 0 "[ . 1 . 2]" 1
1056 1 49 ILE HG13 1 49 ILE MG . . 3.550 3.188 3.187 3.190 . 0 0 "[ . 1 . 2]" 1
1057 1 49 ILE HG12 1 49 ILE MG . . 3.330 2.294 2.238 2.359 . 0 0 "[ . 1 . 2]" 1
1058 1 49 ILE MG 1 65 PHE QE . . 4.060 3.488 3.258 3.618 . 0 0 "[ . 1 . 2]" 1
1059 1 4 MET ME 1 9 MET H . . 3.030 2.892 2.820 3.029 . 0 0 "[ . 1 . 2]" 1
1060 1 4 MET ME 1 42 TYR QE . . 2.700 2.396 2.255 2.703 0.003 6 0 "[ . 1 . 2]" 1
1061 1 13 MET H 1 13 MET ME . . 3.720 3.462 3.332 3.560 . 0 0 "[ . 1 . 2]" 1
1062 1 13 MET ME 1 65 PHE QD . . 4.140 3.835 3.707 4.115 . 0 0 "[ . 1 . 2]" 1
1063 1 13 MET ME 1 42 TYR QD . . 3.950 3.609 3.198 3.950 . 0 0 "[ . 1 . 2]" 1
1064 1 13 MET ME 1 72 TYR QD . . 4.670 4.599 4.271 4.682 0.012 6 0 "[ . 1 . 2]" 1
1065 1 13 MET ME 1 42 TYR QE . . 3.900 3.608 3.329 3.904 0.004 5 0 "[ . 1 . 2]" 1
1066 1 10 ALA HA 1 13 MET ME . . 2.580 2.244 2.034 2.311 . 0 0 "[ . 1 . 2]" 1
1067 1 33 LYS HA 1 33 LYS HG2 . . 4.250 3.043 2.422 3.755 . 0 0 "[ . 1 . 2]" 1
1068 1 33 LYS H 1 33 LYS QD . . 4.460 3.611 3.270 4.078 . 0 0 "[ . 1 . 2]" 1
1069 1 34 LYS HB2 1 35 TYR QD . . 4.740 4.306 3.025 4.726 . 0 0 "[ . 1 . 2]" 1
1070 1 34 LYS HB2 1 34 LYS QE . . 4.560 3.524 2.132 4.383 . 0 0 "[ . 1 . 2]" 1
1071 1 35 TYR QB 1 37 LEU HG . . 4.440 2.820 2.744 2.894 . 0 0 "[ . 1 . 2]" 1
1072 1 37 LEU HA 1 40 TRP HD1 . . 4.280 2.292 2.251 2.327 . 0 0 "[ . 1 . 2]" 1
1073 1 37 LEU MD2 1 61 CYS HG . . 5.440 4.804 4.435 4.945 . 0 0 "[ . 1 . 2]" 1
1074 1 37 LEU MD2 1 40 TRP H . . 4.900 4.830 4.601 4.909 0.009 15 0 "[ . 1 . 2]" 1
1075 1 35 TYR H 1 37 LEU MD2 . . 5.500 5.438 5.285 5.509 0.009 18 0 "[ . 1 . 2]" 1
1076 1 39 LYS HA 1 39 LYS HG2 . . 3.840 2.664 2.516 3.282 . 0 0 "[ . 1 . 2]" 1
1077 1 39 LYS HA 1 39 LYS HG3 . . 3.840 3.421 3.175 3.812 . 0 0 "[ . 1 . 2]" 1
1078 1 42 TYR HA 1 45 LEU HB3 . . 4.860 4.567 4.487 4.649 . 0 0 "[ . 1 . 2]" 1
1079 1 42 TYR HA 1 42 TYR QE . . 5.140 4.508 4.443 4.555 . 0 0 "[ . 1 . 2]" 1
1080 1 42 TYR HA 1 65 PHE HZ . . 5.460 4.268 4.003 4.790 . 0 0 "[ . 1 . 2]" 1
1081 1 9 MET ME 1 42 TYR HB3 . . 4.820 4.109 3.415 4.590 . 0 0 "[ . 1 . 2]" 1
1082 1 43 ALA HA 1 47 ASP H . . 4.620 3.843 3.752 4.073 . 0 0 "[ . 1 . 2]" 1
1083 1 45 LEU HA 1 47 ASP H . . 5.110 4.357 4.241 4.476 . 0 0 "[ . 1 . 2]" 1
1084 1 45 LEU HA 1 45 LEU MD2 . . 4.110 2.135 2.102 2.190 . 0 0 "[ . 1 . 2]" 1
1085 1 40 TRP HE3 1 44 GLU HB2 . . 4.450 2.842 2.745 2.933 . 0 0 "[ . 1 . 2]" 1
1086 1 40 TRP QB 1 44 GLU HB3 . . 4.750 3.397 3.257 3.552 . 0 0 "[ . 1 . 2]" 1
1087 1 40 TRP HE3 1 44 GLU HB3 . . 4.450 2.323 2.289 2.352 . 0 0 "[ . 1 . 2]" 1
1088 1 44 GLU H 1 44 GLU HB3 . . 3.980 3.591 3.586 3.595 . 0 0 "[ . 1 . 2]" 1
1089 1 44 GLU HG3 1 45 LEU H . . 4.790 4.571 4.091 4.794 0.004 19 0 "[ . 1 . 2]" 1
1090 1 43 ALA MB 1 44 GLU HG3 . . 4.770 4.343 3.290 4.767 . 0 0 "[ . 1 . 2]" 1
1091 1 43 ALA MB 1 44 GLU HG2 . . 4.770 3.144 2.937 3.768 . 0 0 "[ . 1 . 2]" 1
1092 1 45 LEU HB3 1 65 PHE QE . . 4.550 3.062 2.444 3.221 . 0 0 "[ . 1 . 2]" 1
1093 1 42 TYR HA 1 45 LEU HB2 . . 4.590 2.944 2.888 3.021 . 0 0 "[ . 1 . 2]" 1
1094 1 45 LEU H 1 46 ARG HA . . 5.500 5.464 5.399 5.483 . 0 0 "[ . 1 . 2]" 1
1095 1 47 ASP HB2 1 51 THR MG . . 5.190 4.624 4.448 4.952 . 0 0 "[ . 1 . 2]" 1
1096 1 47 ASP HB3 1 51 THR MG . . 5.500 4.355 4.092 4.569 . 0 0 "[ . 1 . 2]" 1
1097 1 49 ILE MG 1 65 PHE HZ . . 4.480 4.265 3.855 4.495 0.015 16 0 "[ . 1 . 2]" 1
1098 1 49 ILE MG 1 50 ASN HB2 . . 5.500 5.544 5.518 5.564 0.064 18 0 "[ . 1 . 2]" 1
1099 1 46 ARG H 1 49 ILE MD . . 4.230 4.272 4.235 4.315 0.085 3 0 "[ . 1 . 2]" 1
1100 1 51 THR H 1 51 THR MG . . 3.190 2.121 2.030 2.183 . 0 0 "[ . 1 . 2]" 1
1101 1 54 ASP HB2 1 57 LEU HB2 . . 4.680 2.927 2.852 3.115 . 0 0 "[ . 1 . 2]" 1
1102 1 54 ASP HB2 1 57 LEU HB3 . . 4.550 2.283 2.266 2.299 . 0 0 "[ . 1 . 2]" 1
1103 1 54 ASP HA 1 55 ILE HA . . 4.470 4.380 4.349 4.438 . 0 0 "[ . 1 . 2]" 1
1104 1 35 TYR QE 1 56 GLU HG2 . . 4.660 4.205 4.042 4.593 . 0 0 "[ . 1 . 2]" 1
1105 1 35 TYR QE 1 56 GLU HG3 . . 4.380 3.130 2.882 3.316 . 0 0 "[ . 1 . 2]" 1
1106 1 55 ILE HG13 1 56 GLU HG2 . . 5.500 5.499 5.458 5.512 0.012 15 0 "[ . 1 . 2]" 1
1107 1 55 ILE HG12 1 56 GLU HG2 . . 5.500 5.238 5.180 5.540 0.040 19 0 "[ . 1 . 2]" 1
1108 1 55 ILE MG 1 56 GLU HG2 . . 4.810 4.523 4.481 4.688 . 0 0 "[ . 1 . 2]" 1
1109 1 56 GLU HB2 1 57 LEU HA . . 5.280 4.160 4.048 4.211 . 0 0 "[ . 1 . 2]" 1
1110 1 56 GLU HG3 1 57 LEU HA . . 5.500 3.728 3.608 4.078 . 0 0 "[ . 1 . 2]" 1
1111 1 35 TYR QD 1 57 LEU HA . . 4.530 3.887 2.286 4.101 . 0 0 "[ . 1 . 2]" 1
1112 1 57 LEU HB2 1 58 LEU H . . 4.680 3.594 3.567 3.609 . 0 0 "[ . 1 . 2]" 1
1113 1 54 ASP HB3 1 57 LEU HB3 . . 4.760 2.378 2.328 2.476 . 0 0 "[ . 1 . 2]" 1
1114 1 57 LEU HG 1 61 CYS HG . . 4.780 4.409 2.041 4.646 . 0 0 "[ . 1 . 2]" 1
1115 1 57 LEU H 1 57 LEU HG . . 4.900 4.589 4.339 4.611 . 0 0 "[ . 1 . 2]" 1
1116 1 58 LEU HA 1 61 CYS HB2 . . 4.410 3.211 2.690 3.388 . 0 0 "[ . 1 . 2]" 1
1117 1 57 LEU MD2 1 58 LEU HA . . 4.580 4.527 3.337 4.608 0.028 20 0 "[ . 1 . 2]" 1
1118 1 37 LEU MD2 1 61 CYS HA . . 5.230 5.126 4.986 5.237 0.007 3 0 "[ . 1 . 2]" 1
1119 1 58 LEU MD1 1 61 CYS HB2 . . 5.500 4.028 3.732 5.486 . 0 0 "[ . 1 . 2]" 1
1120 1 58 LEU MD2 1 61 CYS HB2 . . 5.500 4.462 3.864 4.617 . 0 0 "[ . 1 . 2]" 1
1121 1 60 ALA MB 1 61 CYS HB2 . . 4.960 4.400 4.301 4.452 . 0 0 "[ . 1 . 2]" 1
1122 1 58 LEU HA 1 61 CYS HB3 . . 4.990 4.820 4.274 4.989 . 0 0 "[ . 1 . 2]" 1
1123 1 61 CYS HB3 1 62 ARG HA . . 5.270 4.306 4.158 4.383 . 0 0 "[ . 1 . 2]" 1
1124 1 61 CYS HB3 1 62 ARG H . . 4.800 3.296 3.166 3.364 . 0 0 "[ . 1 . 2]" 1
1125 1 40 TRP HH2 1 48 THR MG . . 4.770 3.350 3.078 3.457 . 0 0 "[ . 1 . 2]" 1
1126 1 40 TRP HH2 1 57 LEU MD1 . . 5.250 5.101 4.321 5.237 . 0 0 "[ . 1 . 2]" 1
1127 1 72 TYR QD 1 73 HIS HD2 . . 4.790 4.073 2.458 4.665 . 0 0 "[ . 1 . 2]" 1
1128 1 75 TRP H 1 75 TRP HD1 . . 5.340 5.202 5.174 5.235 . 0 0 "[ . 1 . 2]" 1
1129 1 66 HIS HD2 1 70 LYS QB . . 5.500 5.295 4.214 5.505 0.005 10 0 "[ . 1 . 2]" 1
1130 1 35 TYR QE 1 37 LEU MD2 . . 4.880 4.359 4.136 4.563 . 0 0 "[ . 1 . 2]" 1
1131 1 35 TYR QE 1 57 LEU HA . . 4.620 4.277 2.619 4.474 . 0 0 "[ . 1 . 2]" 1
1132 1 35 TYR QE 1 56 GLU HA . . 5.280 4.915 4.816 5.301 0.021 3 0 "[ . 1 . 2]" 1
1133 1 34 LYS QE 1 35 TYR QE . . 4.550 2.931 2.271 4.318 . 0 0 "[ . 1 . 2]" 1
1134 1 49 ILE HG12 1 65 PHE HZ . . 5.500 4.438 4.094 4.644 . 0 0 "[ . 1 . 2]" 1
1135 1 16 PHE HB2 1 65 PHE QE . . 5.360 5.070 4.666 5.311 . 0 0 "[ . 1 . 2]" 1
1136 1 72 TYR QE 1 75 TRP HZ3 . . 4.530 2.339 2.303 2.652 . 0 0 "[ . 1 . 2]" 1
1137 1 42 TYR QE 1 46 ARG QD . . 4.740 2.956 2.800 3.669 . 0 0 "[ . 1 . 2]" 1
1138 1 42 TYR QE 1 43 ALA HA . . 5.140 4.642 4.499 4.763 . 0 0 "[ . 1 . 2]" 1
1139 1 61 CYS HB3 1 65 PHE QD . . 5.500 4.509 4.356 4.681 . 0 0 "[ . 1 . 2]" 1
1140 1 64 GLU HB3 1 65 PHE QD . . 5.500 3.884 3.185 4.298 . 0 0 "[ . 1 . 2]" 1
1141 1 17 LEU HG 1 65 PHE QD . . 4.650 4.073 3.826 4.357 . 0 0 "[ . 1 . 2]" 1
1142 1 45 LEU HA 1 49 ILE MD . . 5.080 5.013 4.888 5.109 0.029 10 0 "[ . 1 . 2]" 1
1143 1 20 GLY HA2 1 21 PRO QG . . 4.490 4.210 4.096 4.334 . 0 0 "[ . 1 . 2]" 1
1144 1 19 ARG H 1 20 GLY HA2 . . 5.330 5.059 4.732 5.314 . 0 0 "[ . 1 . 2]" 1
1145 1 65 PHE QD 1 68 ARG HD2 . . 4.970 3.046 2.207 4.023 . 0 0 "[ . 1 . 2]" 1
1146 1 65 PHE QD 1 68 ARG HD3 . . 4.970 4.447 3.817 4.984 0.014 14 0 "[ . 1 . 2]" 1
1147 1 69 LEU HB2 1 70 LYS H . . 4.390 2.659 2.466 2.832 . 0 0 "[ . 1 . 2]" 1
1148 1 35 TYR QD 1 56 GLU HG3 . . 4.730 4.517 4.367 4.735 0.005 19 0 "[ . 1 . 2]" 1
1149 1 7 GLU QG 1 10 ALA MB . . 4.620 3.499 3.299 3.893 . 0 0 "[ . 1 . 2]" 1
1150 1 15 GLU HG3 1 16 PHE H . . 4.400 2.423 2.199 4.407 0.007 14 0 "[ . 1 . 2]" 1
1151 1 6 PRO HA 1 9 MET HB2 . . 4.750 4.803 4.798 4.809 0.059 14 0 "[ . 1 . 2]" 1
1152 1 6 PRO HA 1 72 TYR QE . . 4.860 4.829 4.596 4.888 0.028 14 0 "[ . 1 . 2]" 1
1153 1 13 MET HG3 1 42 TYR QE . . 4.570 2.338 2.321 2.365 . 0 0 "[ . 1 . 2]" 1
1154 1 13 MET HG3 1 65 PHE QD . . 5.090 4.492 4.405 4.603 . 0 0 "[ . 1 . 2]" 1
1155 1 17 LEU HG 1 66 HIS QB . . 5.030 4.974 4.837 5.040 0.010 15 0 "[ . 1 . 2]" 1
1156 1 17 LEU MD2 1 66 HIS QB . . 4.970 3.774 3.543 3.927 . 0 0 "[ . 1 . 2]" 1
1157 1 42 TYR QE 1 46 ARG HB2 . . 5.440 4.299 3.972 4.717 . 0 0 "[ . 1 . 2]" 1
1158 1 46 ARG HB2 1 65 PHE HZ . . 5.500 4.315 4.228 4.457 . 0 0 "[ . 1 . 2]" 1
1159 1 7 GLU HB3 1 10 ALA MB . . 5.480 4.842 4.736 4.970 . 0 0 "[ . 1 . 2]" 1
1160 1 49 ILE MD 1 62 ARG HA . . 4.440 4.284 4.113 4.401 . 0 0 "[ . 1 . 2]" 1
1161 1 62 ARG HA 1 62 ARG QD . . 4.410 3.824 2.487 4.090 . 0 0 "[ . 1 . 2]" 1
1162 1 72 TYR HA 1 75 TRP HB2 . . 4.680 4.576 4.371 4.688 0.008 1 0 "[ . 1 . 2]" 1
1163 1 5 THR HA 1 6 PRO HG2 . . 4.700 4.460 4.434 4.476 . 0 0 "[ . 1 . 2]" 1
1164 1 8 GLN H 1 9 MET HA . . 5.390 5.376 5.309 5.429 0.039 10 0 "[ . 1 . 2]" 1
1165 1 5 THR MG 1 8 GLN HA . . 5.500 5.187 5.041 5.471 . 0 0 "[ . 1 . 2]" 1
1166 1 76 LYS HA 1 79 ASN HB2 . . 4.310 2.782 2.379 3.135 . 0 0 "[ . 1 . 2]" 1
1167 1 76 LYS HA 1 76 LYS QE . . 4.840 4.141 3.125 4.842 0.002 10 0 "[ . 1 . 2]" 1
1168 1 76 LYS HA 1 77 SER HA . . 4.860 4.790 4.775 4.809 . 0 0 "[ . 1 . 2]" 1
1169 1 75 TRP HZ3 1 76 LYS HA . . 4.500 3.306 3.037 3.832 . 0 0 "[ . 1 . 2]" 1
1170 1 76 LYS HA 1 78 LYS H . . 4.570 4.178 4.031 4.302 . 0 0 "[ . 1 . 2]" 1
1171 1 10 ALA HA 1 69 LEU MD2 . . 4.110 2.763 2.157 3.113 . 0 0 "[ . 1 . 2]" 1
1172 1 10 ALA HA 1 13 MET HB3 . . 4.490 4.153 3.943 4.368 . 0 0 "[ . 1 . 2]" 1
1173 1 10 ALA HA 1 72 TYR QE . . 4.820 4.617 4.364 4.832 0.012 15 0 "[ . 1 . 2]" 1
1174 1 10 ALA HA 1 72 TYR QD . . 5.100 4.331 4.126 4.529 . 0 0 "[ . 1 . 2]" 1
1175 1 9 MET ME 1 42 TYR HB2 . . 4.690 4.215 3.696 4.693 0.003 14 0 "[ . 1 . 2]" 1
1176 1 42 TYR HB3 1 43 ALA MB . . 5.060 4.006 3.923 4.094 . 0 0 "[ . 1 . 2]" 1
1177 1 24 LEU H 1 24 LEU HB2 . . 3.910 2.562 2.316 3.281 . 0 0 "[ . 1 . 2]" 1
1178 1 48 THR MG 1 57 LEU MD1 . . 3.390 2.088 2.026 3.141 . 0 0 "[ . 1 . 2]" 1
1179 1 4 MET ME 1 9 MET HA . . 3.010 2.813 2.502 3.027 0.017 20 0 "[ . 1 . 2]" 1
1180 1 5 THR MG 1 7 GLU H . . 4.670 4.591 4.513 4.657 . 0 0 "[ . 1 . 2]" 1
1181 1 7 GLU HB2 1 10 ALA MB . . 4.800 4.520 4.346 4.665 . 0 0 "[ . 1 . 2]" 1
1182 1 10 ALA MB 1 13 MET HB2 . . 4.380 4.209 4.058 4.362 . 0 0 "[ . 1 . 2]" 1
1183 1 7 GLU HA 1 10 ALA MB . . 3.610 2.361 2.275 2.452 . 0 0 "[ . 1 . 2]" 1
1184 1 10 ALA MB 1 72 TYR QE . . 3.940 2.169 2.004 2.306 . 0 0 "[ . 1 . 2]" 1
1185 1 10 ALA MB 1 72 TYR QD . . 4.070 2.643 2.357 2.802 . 0 0 "[ . 1 . 2]" 1
1186 1 19 ARG H 1 20 GLY HA3 . . 5.330 4.760 4.487 4.959 . 0 0 "[ . 1 . 2]" 1
1187 1 58 LEU HG 1 59 ALA H . . 5.210 4.983 4.859 5.145 . 0 0 "[ . 1 . 2]" 1
1188 1 3 LYS H 1 3 LYS HB3 . . 3.370 2.605 2.258 3.424 0.054 4 0 "[ . 1 . 2]" 1
1189 1 78 LYS H 1 80 LYS QG . . 5.500 4.861 4.266 5.393 . 0 0 "[ . 1 . 2]" 1
1190 1 11 LYS HA 1 11 LYS HG3 . . 3.680 2.752 2.584 2.858 . 0 0 "[ . 1 . 2]" 1
1191 1 43 ALA H 1 43 ALA MB . . 2.720 2.218 2.136 2.237 . 0 0 "[ . 1 . 2]" 1
1192 1 42 TYR H 1 43 ALA MB . . 4.630 4.537 4.440 4.633 0.003 18 0 "[ . 1 . 2]" 1
1193 1 43 ALA H 1 44 GLU HA . . 5.410 5.237 5.184 5.288 . 0 0 "[ . 1 . 2]" 1
1194 1 40 TRP QB 1 45 LEU MD2 . . 3.980 2.126 2.017 2.278 . 0 0 "[ . 1 . 2]" 1
1195 1 16 PHE QD 1 46 ARG HA . . 5.070 4.653 4.170 5.092 0.022 1 0 "[ . 1 . 2]" 1
1196 1 47 ASP HA 1 51 THR MG . . 4.420 3.640 3.496 4.076 . 0 0 "[ . 1 . 2]" 1
1197 1 46 ARG HG3 1 47 ASP HA . . 4.320 3.148 3.085 3.254 . 0 0 "[ . 1 . 2]" 1
1198 1 46 ARG HG2 1 47 ASP HB2 . . 5.040 3.747 3.638 4.280 . 0 0 "[ . 1 . 2]" 1
1199 1 46 ARG HG2 1 47 ASP HB3 . . 5.420 4.141 4.066 4.728 . 0 0 "[ . 1 . 2]" 1
1200 1 46 ARG HG3 1 47 ASP HB2 . . 5.410 3.333 3.194 3.393 . 0 0 "[ . 1 . 2]" 1
1201 1 49 ILE MG 1 61 CYS HB2 . . 4.520 2.155 2.110 2.195 . 0 0 "[ . 1 . 2]" 1
1202 1 49 ILE MG 1 61 CYS H . . 4.880 3.970 3.893 4.022 . 0 0 "[ . 1 . 2]" 1
1203 1 50 ASN HB3 1 51 THR HB . . 4.460 3.953 3.771 4.133 . 0 0 "[ . 1 . 2]" 1
1204 1 51 THR HB 1 52 SER H . . 4.760 4.664 4.619 4.676 . 0 0 "[ . 1 . 2]" 1
1205 1 51 THR HA 1 51 THR MG . . 3.260 3.188 3.185 3.194 . 0 0 "[ . 1 . 2]" 1
1206 1 50 ASN HB2 1 51 THR MG . . 3.880 3.555 3.401 3.905 0.025 13 0 "[ . 1 . 2]" 1
1207 1 53 CYS HB2 1 54 ASP H . . 4.570 4.514 4.464 4.552 . 0 0 "[ . 1 . 2]" 1
1208 1 53 CYS HB3 1 54 ASP H . . 4.570 3.994 3.955 4.062 . 0 0 "[ . 1 . 2]" 1
1209 1 52 SER HA 1 53 CYS HB3 . . 4.830 4.605 4.519 4.680 . 0 0 "[ . 1 . 2]" 1
1210 1 54 ASP HB3 1 57 LEU HB2 . . 4.510 2.493 2.385 2.674 . 0 0 "[ . 1 . 2]" 1
1211 1 54 ASP HA 1 55 ILE HB . . 4.800 4.684 4.637 4.820 0.020 19 0 "[ . 1 . 2]" 1
1212 1 55 ILE HB 1 57 LEU H . . 4.990 4.746 4.680 4.791 . 0 0 "[ . 1 . 2]" 1
1213 1 34 LYS QD 1 56 GLU HB3 . . 5.100 4.433 3.640 5.107 0.007 3 0 "[ . 1 . 2]" 1
1214 1 56 GLU HB3 1 59 ALA MB . . 5.500 4.732 4.532 4.815 . 0 0 "[ . 1 . 2]" 1
1215 1 37 LEU HG 1 60 ALA MB . . 3.780 2.739 2.578 2.981 . 0 0 "[ . 1 . 2]" 1
1216 1 37 LEU HB2 1 61 CYS HA . . 4.670 4.161 3.842 4.462 . 0 0 "[ . 1 . 2]" 1
1217 1 75 TRP HE3 1 76 LYS HB3 . . 4.720 3.705 3.516 3.858 . 0 0 "[ . 1 . 2]" 1
1218 1 76 LYS HB3 1 76 LYS QE . . 4.570 3.260 2.305 4.436 . 0 0 "[ . 1 . 2]" 1
1219 1 76 LYS HB2 1 76 LYS QE . . 4.650 3.350 2.442 3.969 . 0 0 "[ . 1 . 2]" 1
1220 1 75 TRP HE3 1 76 LYS HB2 . . 4.400 2.364 2.298 2.464 . 0 0 "[ . 1 . 2]" 1
1221 1 75 TRP H 1 76 LYS HB2 . . 5.390 5.049 4.900 5.217 . 0 0 "[ . 1 . 2]" 1
1222 1 75 TRP HZ3 1 76 LYS HB2 . . 5.060 2.755 2.578 2.909 . 0 0 "[ . 1 . 2]" 1
1223 1 74 ALA MB 1 77 SER HB3 . . 4.400 4.289 4.104 4.405 0.005 18 0 "[ . 1 . 2]" 1
1224 1 79 ASN HB2 1 80 LYS HA . . 5.080 4.822 4.469 5.095 0.015 2 0 "[ . 1 . 2]" 1
1225 1 55 ILE HG12 1 55 ILE MG . . 3.190 3.123 2.245 3.171 . 0 0 "[ . 1 . 2]" 1
1226 1 55 ILE HG13 1 55 ILE MG . . 3.190 2.574 2.565 2.587 . 0 0 "[ . 1 . 2]" 1
1227 1 48 THR MG 1 52 SER HA . . 4.290 4.273 4.193 4.313 0.023 3 0 "[ . 1 . 2]" 1
1228 1 52 SER HA 1 53 CYS HB2 . . 4.830 4.162 4.097 4.235 . 0 0 "[ . 1 . 2]" 1
1229 1 52 SER HB3 1 58 LEU HG . . 4.670 4.443 3.287 4.657 . 0 0 "[ . 1 . 2]" 1
1230 1 51 THR MG 1 52 SER H . . 3.860 3.696 3.453 3.761 . 0 0 "[ . 1 . 2]" 1
1231 1 46 ARG HA 1 49 ILE HB . . 5.180 4.960 4.930 5.040 . 0 0 "[ . 1 . 2]" 1
1232 1 46 ARG HA 1 49 ILE HG13 . . 4.670 3.264 3.216 3.396 . 0 0 "[ . 1 . 2]" 1
1233 1 1 ARG HA 1 2 PRO QG . . 4.180 4.038 4.019 4.062 . 0 0 "[ . 1 . 2]" 1
1234 1 3 LYS HA 1 3 LYS QG . . 3.840 2.363 2.257 3.282 . 0 0 "[ . 1 . 2]" 1
1235 1 4 MET HG2 1 9 MET HB2 . . 5.500 5.059 4.647 5.502 0.002 5 0 "[ . 1 . 2]" 1
1236 1 4 MET HG3 1 9 MET HB2 . . 5.500 5.143 4.772 5.343 . 0 0 "[ . 1 . 2]" 1
1237 1 6 PRO QD 1 8 GLN H . . 4.870 4.288 4.195 4.517 . 0 0 "[ . 1 . 2]" 1
1238 1 7 GLU HA 1 72 TYR QE . . 4.270 3.164 2.594 3.577 . 0 0 "[ . 1 . 2]" 1
1239 1 7 GLU QG 1 11 LYS HG2 . . 4.850 4.107 3.919 4.442 . 0 0 "[ . 1 . 2]" 1
1240 1 7 GLU QG 1 11 LYS HG3 . . 4.850 2.908 2.785 3.142 . 0 0 "[ . 1 . 2]" 1
1241 1 5 THR HA 1 6 PRO HG3 . . 4.700 4.517 4.487 4.574 . 0 0 "[ . 1 . 2]" 1
1242 1 6 PRO HB3 1 72 TYR QE . . 4.400 3.608 3.280 3.808 . 0 0 "[ . 1 . 2]" 1
1243 1 6 PRO HB3 1 7 GLU H . . 4.250 4.130 4.111 4.159 . 0 0 "[ . 1 . 2]" 1
1244 1 10 ALA H 1 11 LYS HA . . 5.350 5.269 5.226 5.358 0.008 14 0 "[ . 1 . 2]" 1
1245 1 11 LYS HA 1 15 GLU H . . 4.160 3.867 3.797 4.194 0.034 14 0 "[ . 1 . 2]" 1
1246 1 11 LYS HA 1 13 MET H . . 4.850 4.395 4.284 4.641 . 0 0 "[ . 1 . 2]" 1
1247 1 12 GLU HG2 1 13 MET H . . 4.990 4.475 4.165 4.990 . 0 0 "[ . 1 . 2]" 1
1248 1 55 ILE MG 1 56 GLU HG3 . . 5.500 5.439 5.349 5.509 0.009 2 0 "[ . 1 . 2]" 1
1249 1 56 GLU HG3 1 60 ALA MB . . 5.500 5.271 5.112 5.509 0.009 3 0 "[ . 1 . 2]" 1
1250 1 13 MET HB2 1 13 MET ME . . 4.770 2.277 2.174 2.346 . 0 0 "[ . 1 . 2]" 1
1251 1 12 GLU HA 1 15 GLU HB3 . . 4.290 4.295 4.244 4.407 0.117 14 0 "[ . 1 . 2]" 1
1252 1 15 GLU HG2 1 16 PHE H . . 4.470 2.168 2.027 3.208 . 0 0 "[ . 1 . 2]" 1
1253 1 16 PHE HA 1 19 ARG HB2 . . 5.020 3.208 2.613 5.053 0.033 5 0 "[ . 1 . 2]" 1
1254 1 16 PHE HA 1 19 ARG HB3 . . 5.020 4.604 4.251 5.023 0.003 10 0 "[ . 1 . 2]" 1
1255 1 16 PHE HA 1 19 ARG H . . 4.320 3.672 3.298 3.835 . 0 0 "[ . 1 . 2]" 1
1256 1 15 GLU HA 1 16 PHE HA . . 5.060 4.886 4.866 4.900 . 0 0 "[ . 1 . 2]" 1
1257 1 16 PHE HB2 1 49 ILE MD . . 4.750 4.718 4.521 4.784 0.034 6 0 "[ . 1 . 2]" 1
1258 1 16 PHE HB2 1 17 LEU HG . . 5.390 3.784 3.735 3.876 . 0 0 "[ . 1 . 2]" 1
1259 1 19 ARG HG3 1 20 GLY H . . 5.080 4.333 1.811 5.009 . 0 0 "[ . 1 . 2]" 1
1260 1 43 ALA HA 1 46 ARG QD . . 4.770 2.296 1.962 2.349 . 0 0 "[ . 1 . 2]" 1
1261 1 43 ALA MB 1 46 ARG QD . . 4.340 3.669 2.917 3.755 . 0 0 "[ . 1 . 2]" 1
1262 1 43 ALA MB 1 44 GLU HA . . 3.910 3.820 3.788 3.870 . 0 0 "[ . 1 . 2]" 1
1263 1 43 ALA MB 1 46 ARG H . . 5.250 5.153 5.007 5.201 . 0 0 "[ . 1 . 2]" 1
1264 1 40 TRP HE3 1 44 GLU HG3 . . 5.100 4.537 4.408 5.035 . 0 0 "[ . 1 . 2]" 1
1265 1 40 TRP HE3 1 44 GLU HG2 . . 5.100 5.085 4.884 5.139 0.039 19 0 "[ . 1 . 2]" 1
1266 1 46 ARG HA 1 46 ARG HG2 . . 4.230 3.680 3.657 3.759 . 0 0 "[ . 1 . 2]" 1
1267 1 42 TYR QE 1 46 ARG HG3 . . 5.500 5.315 5.155 5.510 0.010 18 0 "[ . 1 . 2]" 1
1268 1 46 ARG HG3 1 65 PHE HZ . . 5.500 5.524 5.391 5.553 0.053 20 0 "[ . 1 . 2]" 1
1269 1 48 THR MG 1 49 ILE HA . . 4.430 3.756 3.587 3.941 . 0 0 "[ . 1 . 2]" 1
1270 1 49 ILE MD 1 65 PHE HZ . . 3.840 3.295 2.776 3.512 . 0 0 "[ . 1 . 2]" 1
1271 1 16 PHE QE 1 49 ILE MD . . 4.060 2.520 2.149 3.604 . 0 0 "[ . 1 . 2]" 1
1272 1 56 GLU H 1 57 LEU HB3 . . 5.470 5.122 4.994 5.163 . 0 0 "[ . 1 . 2]" 1
1273 1 58 LEU HA 1 61 CYS HG . . 4.290 3.433 3.231 3.882 . 0 0 "[ . 1 . 2]" 1
1274 1 56 GLU H 1 59 ALA MB . . 4.680 4.659 4.362 4.703 0.023 19 0 "[ . 1 . 2]" 1
1275 1 49 ILE HG12 1 61 CYS HB3 . . 4.620 4.568 4.498 4.634 0.014 15 0 "[ . 1 . 2]" 1
1276 1 56 GLU HB2 1 60 ALA MB . . 4.890 4.503 4.368 4.702 . 0 0 "[ . 1 . 2]" 1
1277 1 34 LYS QD 1 56 GLU HB2 . . 5.010 4.084 3.012 5.015 0.005 3 0 "[ . 1 . 2]" 1
1278 1 56 GLU HB2 1 59 ALA MB . . 5.500 4.493 4.380 4.565 . 0 0 "[ . 1 . 2]" 1
1279 1 74 ALA HA 1 76 LYS H . . 4.750 4.391 4.125 4.604 . 0 0 "[ . 1 . 2]" 1
1280 1 69 LEU HA 1 72 TYR HB2 . . 4.420 3.696 3.517 4.047 . 0 0 "[ . 1 . 2]" 1
1281 1 69 LEU HA 1 72 TYR HB3 . . 4.420 2.368 2.116 2.699 . 0 0 "[ . 1 . 2]" 1
1282 1 13 MET ME 1 69 LEU HA . . 4.020 4.003 3.800 4.036 0.016 19 0 "[ . 1 . 2]" 1
1283 1 69 LEU HA 1 69 LEU MD1 . . 3.860 2.319 2.054 3.714 . 0 0 "[ . 1 . 2]" 1
1284 1 69 LEU HA 1 71 VAL H . . 4.680 4.502 4.012 4.699 0.019 19 0 "[ . 1 . 2]" 1
1285 1 69 LEU HA 1 72 TYR QD . . 4.480 3.112 2.630 3.438 . 0 0 "[ . 1 . 2]" 1
1286 1 69 LEU H 1 69 LEU MD1 . . 4.280 3.977 3.849 4.099 . 0 0 "[ . 1 . 2]" 1
1287 1 70 LYS QB 1 71 VAL HA . . 4.580 4.044 3.823 4.581 0.001 4 0 "[ . 1 . 2]" 1
1288 1 40 TRP HE3 1 44 GLU HA . . 4.490 4.262 4.180 4.339 . 0 0 "[ . 1 . 2]" 1
1289 1 75 TRP HA 1 77 SER H . . 4.660 4.463 4.272 4.573 . 0 0 "[ . 1 . 2]" 1
1290 1 72 TYR QD 1 73 HIS HA . . 4.490 3.998 3.853 4.090 . 0 0 "[ . 1 . 2]" 1
1291 1 72 TYR HA 1 75 TRP HB3 . . 4.300 2.997 2.843 3.109 . 0 0 "[ . 1 . 2]" 1
1292 1 6 PRO HB2 1 72 TYR QE . . 4.380 2.593 2.371 2.926 . 0 0 "[ . 1 . 2]" 1
1293 1 70 LYS HA 1 73 HIS HB2 . . 4.090 2.737 2.643 2.809 . 0 0 "[ . 1 . 2]" 1
1294 1 70 LYS HA 1 70 LYS QE . . 4.830 3.778 2.263 4.852 0.022 20 0 "[ . 1 . 2]" 1
1295 1 70 LYS HA 1 72 TYR H . . 4.950 4.513 4.343 4.623 . 0 0 "[ . 1 . 2]" 1
1296 1 70 LYS QB 1 72 TYR H . . 5.500 4.772 4.494 5.356 . 0 0 "[ . 1 . 2]" 1
1297 1 62 ARG H 1 62 ARG HG2 . . 4.850 3.741 3.559 4.074 . 0 0 "[ . 1 . 2]" 1
1298 1 70 LYS H 1 70 LYS QD . . 4.870 4.083 3.931 4.305 . 0 0 "[ . 1 . 2]" 1
1299 1 69 LEU HB3 1 73 HIS HD2 . . 4.950 2.765 2.460 3.499 . 0 0 "[ . 1 . 2]" 1
1300 1 66 HIS HA 1 69 LEU HG . . 4.700 3.912 3.665 4.501 . 0 0 "[ . 1 . 2]" 1
1301 1 68 ARG HA 1 72 TYR H . . 4.450 3.729 3.606 3.981 . 0 0 "[ . 1 . 2]" 1
1302 1 49 ILE MD 1 62 ARG HB2 . . 5.500 5.512 5.318 5.542 0.042 18 0 "[ . 1 . 2]" 1
1303 1 68 ARG HA 1 71 VAL HB . . 4.030 2.897 2.343 3.976 . 0 0 "[ . 1 . 2]" 1
1304 1 62 ARG HB2 1 62 ARG QD . . 3.350 2.492 2.257 3.068 . 0 0 "[ . 1 . 2]" 1
1305 1 66 HIS HA 1 69 LEU H . . 4.510 3.677 3.481 3.864 . 0 0 "[ . 1 . 2]" 1
1306 1 63 GLU HG2 1 66 HIS QB . . 5.100 4.944 4.721 5.031 . 0 0 "[ . 1 . 2]" 1
1307 1 15 GLU HG2 1 16 PHE HB2 . . 4.910 3.897 3.791 4.929 0.019 14 0 "[ . 1 . 2]" 1
1308 1 62 ARG HB3 1 63 GLU HG2 . . 4.660 4.037 3.786 4.195 . 0 0 "[ . 1 . 2]" 1
1309 1 62 ARG HB2 1 65 PHE QD . . 5.230 5.219 5.177 5.271 0.041 20 0 "[ . 1 . 2]" 1
1310 1 43 ALA HA 1 46 ARG HB3 . . 4.500 4.225 3.959 4.353 . 0 0 "[ . 1 . 2]" 1
1311 1 46 ARG HB3 1 47 ASP H . . 4.650 3.834 3.784 3.988 . 0 0 "[ . 1 . 2]" 1
1312 1 45 LEU H 1 46 ARG HB3 . . 5.390 5.210 5.128 5.356 . 0 0 "[ . 1 . 2]" 1
1313 1 37 LEU MD1 1 61 CYS HB2 . . 5.040 4.128 3.982 4.262 . 0 0 "[ . 1 . 2]" 1
1314 1 60 ALA MB 1 63 GLU QB . . 4.250 4.097 3.940 4.182 . 0 0 "[ . 1 . 2]" 1
1315 1 55 ILE HA 1 59 ALA MB . . 4.630 4.549 4.167 4.635 0.005 4 0 "[ . 1 . 2]" 1
1316 1 58 LEU HA 1 58 LEU HG . . 3.770 3.446 2.039 3.609 . 0 0 "[ . 1 . 2]" 1
1317 1 54 ASP HB2 1 57 LEU H . . 5.000 3.763 3.700 3.817 . 0 0 "[ . 1 . 2]" 1
1318 1 52 SER HB3 1 58 LEU MD1 . . 4.390 3.468 2.474 3.785 . 0 0 "[ . 1 . 2]" 1
1319 1 45 LEU HA 1 45 LEU MD1 . . 4.110 3.819 3.798 3.847 . 0 0 "[ . 1 . 2]" 1
1320 1 45 LEU MD1 1 61 CYS HA . . 4.900 3.503 3.286 3.747 . 0 0 "[ . 1 . 2]" 1
1321 1 34 LYS QE 1 35 TYR QB . . 4.760 4.311 3.647 4.771 0.011 5 0 "[ . 1 . 2]" 1
1322 1 13 MET ME 1 13 MET HG3 . . 2.990 2.232 2.211 2.303 . 0 0 "[ . 1 . 2]" 1
1323 1 11 LYS HA 1 11 LYS QE . . 4.670 4.337 3.899 4.676 0.006 2 0 "[ . 1 . 2]" 1
1324 1 9 MET H 1 9 MET HG2 . . 4.840 1.969 1.898 2.101 . 0 0 "[ . 1 . 2]" 1
1325 1 82 ARG HA 1 82 ARG QG . . 3.570 2.612 2.250 3.299 . 0 0 "[ . 1 . 2]" 1
1326 1 76 LYS HA 1 79 ASN HB3 . . 4.790 4.315 3.966 4.561 . 0 0 "[ . 1 . 2]" 1
1327 1 79 ASN HB3 1 80 LYS HA . . 5.020 4.773 4.301 5.020 . 0 0 "[ . 1 . 2]" 1
1328 1 79 ASN HB2 1 80 LYS H . . 4.710 3.994 2.803 4.476 . 0 0 "[ . 1 . 2]" 1
1329 1 26 THR H 1 27 LYS QG . . 5.160 3.977 3.315 4.740 . 0 0 "[ . 1 . 2]" 1
1330 1 70 LYS HA 1 70 LYS QD . . 3.730 2.682 2.224 3.741 0.011 15 0 "[ . 1 . 2]" 1
1331 1 74 ALA H 1 77 SER HB2 . . 5.390 5.322 5.172 5.395 0.005 19 0 "[ . 1 . 2]" 1
1332 1 76 LYS H 1 77 SER HB2 . . 5.110 4.950 4.732 5.057 . 0 0 "[ . 1 . 2]" 1
1333 1 77 SER HA 1 77 SER HB2 . . 2.690 2.482 2.417 2.555 . 0 0 "[ . 1 . 2]" 1
1334 1 75 TRP HZ3 1 76 LYS HB3 . . 4.990 4.473 4.320 4.652 . 0 0 "[ . 1 . 2]" 1
1335 1 76 LYS H 1 76 LYS QD . . 4.620 4.418 4.062 4.646 0.026 9 0 "[ . 1 . 2]" 1
1336 1 75 TRP HE3 1 76 LYS QD . . 4.450 3.812 3.350 4.171 . 0 0 "[ . 1 . 2]" 1
1337 1 74 ALA HA 1 77 SER HB3 . . 3.880 2.831 2.612 3.081 . 0 0 "[ . 1 . 2]" 1
1338 1 73 HIS HB3 1 74 ALA H . . 4.370 3.706 3.555 3.805 . 0 0 "[ . 1 . 2]" 1
1339 1 71 VAL MG2 1 73 HIS H . . 5.500 5.254 5.036 5.369 . 0 0 "[ . 1 . 2]" 1
1340 1 70 LYS HA 1 73 HIS H . . 4.290 3.547 3.449 3.661 . 0 0 "[ . 1 . 2]" 1
1341 1 69 LEU H 1 70 LYS QB . . 5.050 4.538 4.299 4.857 . 0 0 "[ . 1 . 2]" 1
1342 1 69 LEU HB2 1 69 LEU MD1 . . 3.260 3.072 2.291 3.206 . 0 0 "[ . 1 . 2]" 1
1343 1 66 HIS H 1 67 ARG HA . . 5.500 5.515 5.423 5.551 0.051 12 0 "[ . 1 . 2]" 1
1344 1 5 THR HA 1 6 PRO QD . . 3.240 2.081 2.067 2.099 . 0 0 "[ . 1 . 2]" 1
1345 1 1 ARG HB3 1 2 PRO HD3 . . 4.420 3.625 3.415 3.657 . 0 0 "[ . 1 . 2]" 1
1346 1 21 PRO HA 1 22 ALA MB . . 4.130 3.904 3.827 4.085 . 0 0 "[ . 1 . 2]" 1
1347 1 4 MET HA 1 5 THR MG . . 3.760 3.182 3.046 3.488 . 0 0 "[ . 1 . 2]" 1
1348 1 9 MET ME 1 42 TYR QD . . 3.930 3.390 2.487 3.762 . 0 0 "[ . 1 . 2]" 1
1349 1 9 MET H 1 9 MET ME . . 3.620 3.032 2.969 3.140 . 0 0 "[ . 1 . 2]" 1
1350 1 6 PRO HA 1 9 MET ME . . 2.880 2.573 2.396 2.662 . 0 0 "[ . 1 . 2]" 1
1351 1 5 THR HA 1 9 MET ME . . 3.880 3.849 3.674 3.908 0.028 19 0 "[ . 1 . 2]" 1
1352 1 6 PRO HB2 1 72 TYR QD . . 4.520 4.108 3.598 4.425 . 0 0 "[ . 1 . 2]" 1
1353 1 39 LYS HB2 1 40 TRP H . . 4.460 3.531 3.220 3.699 . 0 0 "[ . 1 . 2]" 1
1354 1 9 MET HA 1 12 GLU HG3 . . 5.010 3.686 3.405 4.091 . 0 0 "[ . 1 . 2]" 1
1355 1 13 MET HG2 1 65 PHE QD . . 5.170 3.442 3.245 3.596 . 0 0 "[ . 1 . 2]" 1
1356 1 9 MET HA 1 12 GLU HB2 . . 4.750 2.731 2.486 3.000 . 0 0 "[ . 1 . 2]" 1
1357 1 9 MET HA 1 12 GLU HG2 . . 5.010 4.178 3.537 5.017 0.007 13 0 "[ . 1 . 2]" 1
1358 1 20 GLY H 1 21 PRO HD2 . . 5.220 4.686 4.540 4.864 . 0 0 "[ . 1 . 2]" 1
1359 1 20 GLY H 1 21 PRO HD3 . . 5.220 4.903 4.550 5.049 . 0 0 "[ . 1 . 2]" 1
1360 1 4 MET ME 1 42 TYR QD . . 3.730 3.650 3.158 3.741 0.011 1 0 "[ . 1 . 2]" 1
1361 1 23 VAL HA 1 23 VAL MG2 . . 3.210 2.588 2.188 3.192 . 0 0 "[ . 1 . 2]" 1
1362 1 23 VAL MG2 1 24 LEU H . . 4.370 3.734 2.118 4.326 . 0 0 "[ . 1 . 2]" 1
1363 1 13 MET HB3 1 65 PHE HB2 . . 5.300 3.933 3.831 4.075 . 0 0 "[ . 1 . 2]" 1
1364 1 17 LEU HG 1 65 PHE HB2 . . 5.310 3.971 3.772 4.123 . 0 0 "[ . 1 . 2]" 1
1365 1 69 LEU MD1 1 72 TYR QD . . 4.380 2.899 2.420 4.566 0.186 14 0 "[ . 1 . 2]" 1
1366 1 9 MET ME 1 42 TYR QE . . 4.570 4.048 3.369 4.335 . 0 0 "[ . 1 . 2]" 1
1367 1 13 MET HG2 1 42 TYR QE . . 4.750 2.408 2.329 2.717 . 0 0 "[ . 1 . 2]" 1
1368 1 42 TYR QE 1 45 LEU HB2 . . 5.500 5.195 4.998 5.390 . 0 0 "[ . 1 . 2]" 1
1369 1 13 MET HB2 1 42 TYR QE . . 5.500 4.628 4.590 4.682 . 0 0 "[ . 1 . 2]" 1
1370 1 13 MET HB3 1 42 TYR QE . . 5.500 4.795 4.729 4.993 . 0 0 "[ . 1 . 2]" 1
1371 1 42 TYR QE 1 43 ALA MB . . 5.500 4.918 4.628 5.097 . 0 0 "[ . 1 . 2]" 1
1372 1 7 GLU QG 1 72 TYR QE . . 5.450 4.371 3.811 5.224 . 0 0 "[ . 1 . 2]" 1
1373 1 37 LEU HB3 1 64 GLU HB2 . . 5.500 5.445 5.166 5.522 0.022 12 0 "[ . 1 . 2]" 1
1374 1 76 LYS H 1 77 SER HB3 . . 5.210 4.826 4.619 5.083 . 0 0 "[ . 1 . 2]" 1
1375 1 77 SER HB3 1 78 LYS QE . . 4.830 4.164 3.840 4.803 . 0 0 "[ . 1 . 2]" 1
1376 1 72 TYR QD 1 76 LYS QD . . 4.700 4.041 3.805 4.453 . 0 0 "[ . 1 . 2]" 1
1377 1 75 TRP HH2 1 76 LYS QD . . 5.450 4.215 3.027 4.990 . 0 0 "[ . 1 . 2]" 1
1378 1 73 HIS HB3 1 74 ALA MB . . 4.830 4.713 4.605 4.804 . 0 0 "[ . 1 . 2]" 1
1379 1 73 HIS HB2 1 74 ALA MB . . 5.090 4.145 4.079 4.211 . 0 0 "[ . 1 . 2]" 1
1380 1 74 ALA MB 1 75 TRP HB3 . . 4.280 4.129 4.066 4.189 . 0 0 "[ . 1 . 2]" 1
1381 1 67 ARG HA 1 70 LYS HG2 . . 4.750 3.978 2.311 4.757 0.007 10 0 "[ . 1 . 2]" 1
1382 1 70 LYS QB 1 70 LYS QD . . 3.040 2.293 2.158 2.503 . 0 0 "[ . 1 . 2]" 1
1383 1 13 MET HB3 1 69 LEU HG . . 3.920 3.342 3.135 3.927 0.007 9 0 "[ . 1 . 2]" 1
1384 1 65 PHE HB3 1 69 LEU HG . . 4.510 4.035 3.682 4.317 . 0 0 "[ . 1 . 2]" 1
1385 1 65 PHE HB2 1 69 LEU HG . . 5.500 5.302 5.123 5.505 0.005 1 0 "[ . 1 . 2]" 1
1386 1 69 LEU HG 1 70 LYS H . . 5.220 4.875 4.625 5.150 . 0 0 "[ . 1 . 2]" 1
1387 1 69 LEU HG 1 73 HIS HD2 . . 5.200 4.774 4.492 5.196 . 0 0 "[ . 1 . 2]" 1
1388 1 13 MET ME 1 69 LEU MD1 . . 3.140 2.950 2.791 3.132 . 0 0 "[ . 1 . 2]" 1
1389 1 13 MET HB2 1 69 LEU MD1 . . 3.530 3.066 2.304 3.368 . 0 0 "[ . 1 . 2]" 1
1390 1 69 LEU HB2 1 69 LEU MD2 . . 3.260 2.536 2.401 3.201 . 0 0 "[ . 1 . 2]" 1
1391 1 69 LEU H 1 69 LEU MD2 . . 4.280 2.686 2.216 4.044 . 0 0 "[ . 1 . 2]" 1
1392 1 66 HIS QB 1 67 ARG HA . . 4.400 4.194 4.123 4.399 . 0 0 "[ . 1 . 2]" 1
1393 1 62 ARG HA 1 65 PHE HB3 . . 4.650 4.643 4.277 4.678 0.028 9 0 "[ . 1 . 2]" 1
1394 1 62 ARG HA 1 65 PHE HB2 . . 4.640 3.092 2.829 3.140 . 0 0 "[ . 1 . 2]" 1
1395 1 42 TYR QE 1 65 PHE QD . . 5.500 4.520 4.262 4.774 . 0 0 "[ . 1 . 2]" 1
1396 1 16 PHE HB3 1 65 PHE QD . . 5.370 3.930 3.566 4.197 . 0 0 "[ . 1 . 2]" 1
1397 1 66 HIS HA 1 70 LYS H . . 4.830 4.036 3.802 4.144 . 0 0 "[ . 1 . 2]" 1
1398 1 17 LEU MD2 1 66 HIS HA . . 4.800 4.679 4.467 4.811 0.011 5 0 "[ . 1 . 2]" 1
1399 1 63 GLU QB 1 66 HIS HD2 . . 5.130 5.133 5.078 5.156 0.026 20 0 "[ . 1 . 2]" 1
1400 1 13 MET HB3 1 65 PHE QE . . 5.500 5.281 4.965 5.379 . 0 0 "[ . 1 . 2]" 1
1401 1 61 CYS HA 1 64 GLU HB3 . . 5.180 4.115 3.906 4.279 . 0 0 "[ . 1 . 2]" 1
1402 1 45 LEU MD2 1 64 GLU HG3 . . 5.340 4.577 3.053 5.240 . 0 0 "[ . 1 . 2]" 1
1403 1 55 ILE HB 1 56 GLU HA . . 4.130 4.116 3.811 4.143 0.013 3 0 "[ . 1 . 2]" 1
1404 1 59 ALA HA 1 62 ARG QD . . 4.370 3.368 2.770 4.271 . 0 0 "[ . 1 . 2]" 1
1405 1 60 ALA HA 1 62 ARG H . . 4.980 4.946 4.715 4.993 0.013 6 0 "[ . 1 . 2]" 1
1406 1 60 ALA HA 1 63 GLU HG2 . . 4.510 4.010 3.775 4.180 . 0 0 "[ . 1 . 2]" 1
1407 1 59 ALA HA 1 62 ARG H . . 4.110 3.767 3.694 3.907 . 0 0 "[ . 1 . 2]" 1
1408 1 55 ILE HA 1 58 LEU H . . 4.040 3.824 3.776 3.893 . 0 0 "[ . 1 . 2]" 1
1409 1 55 ILE HA 1 58 LEU HB3 . . 4.330 4.108 3.982 4.335 0.005 3 0 "[ . 1 . 2]" 1
1410 1 55 ILE HB 1 56 GLU HG3 . . 5.220 4.903 4.504 5.003 . 0 0 "[ . 1 . 2]" 1
1411 1 16 PHE HB3 1 49 ILE MD . . 4.030 3.860 3.601 3.994 . 0 0 "[ . 1 . 2]" 1
1412 1 49 ILE MD 1 65 PHE QE . . 3.350 2.068 1.985 2.116 . 0 0 "[ . 1 . 2]" 1
1413 1 48 THR HB 1 52 SER HB2 . . 4.770 4.377 4.263 4.464 . 0 0 "[ . 1 . 2]" 1
1414 1 48 THR MG 1 49 ILE H . . 3.800 3.454 3.358 3.593 . 0 0 "[ . 1 . 2]" 1
1415 1 47 ASP HB3 1 50 ASN H . . 5.500 5.281 5.255 5.315 . 0 0 "[ . 1 . 2]" 1
1416 1 44 GLU HA 1 46 ARG H . . 5.180 5.144 4.976 5.192 0.012 19 0 "[ . 1 . 2]" 1
1417 1 45 LEU HA 1 48 THR MG . . 4.560 4.319 4.260 4.424 . 0 0 "[ . 1 . 2]" 1
1418 1 40 TRP QB 1 45 LEU HG . . 4.500 2.324 2.205 2.649 . 0 0 "[ . 1 . 2]" 1
1419 1 41 LYS H 1 45 LEU MD1 . . 5.350 4.393 4.100 4.693 . 0 0 "[ . 1 . 2]" 1
1420 1 45 LEU MD1 1 64 GLU HG2 . . 5.340 3.334 2.724 4.710 . 0 0 "[ . 1 . 2]" 1
1421 1 40 TRP QB 1 44 GLU HB2 . . 4.750 2.556 2.452 2.726 . 0 0 "[ . 1 . 2]" 1
1422 1 44 GLU HG2 1 45 LEU H . . 4.790 4.286 4.137 4.748 . 0 0 "[ . 1 . 2]" 1
1423 1 10 ALA MB 1 13 MET ME . . 3.390 3.367 3.169 3.412 0.022 11 0 "[ . 1 . 2]" 1
1424 1 13 MET ME 1 69 LEU MD2 . . 3.140 2.128 1.987 2.536 . 0 0 "[ . 1 . 2]" 1
1425 1 11 LYS H 1 13 MET ME . . 4.790 4.716 4.645 4.790 . 0 0 "[ . 1 . 2]" 1
1426 1 9 MET HB2 1 42 TYR QD . . 4.860 3.848 3.551 4.045 . 0 0 "[ . 1 . 2]" 1
1427 1 41 LYS HA 1 41 LYS HG2 . . 4.000 3.226 2.926 3.396 . 0 0 "[ . 1 . 2]" 1
1428 1 41 LYS HA 1 41 LYS HD3 . . 4.170 2.475 2.322 3.876 . 0 0 "[ . 1 . 2]" 1
1429 1 40 TRP HA 1 40 TRP HD1 . . 3.810 3.310 3.174 3.389 . 0 0 "[ . 1 . 2]" 1
1430 1 37 LEU HB3 1 40 TRP HZ2 . . 5.500 5.482 5.342 5.516 0.016 7 0 "[ . 1 . 2]" 1
1431 1 37 LEU MD1 1 61 CYS HB3 . . 4.200 3.974 3.827 4.129 . 0 0 "[ . 1 . 2]" 1
1432 1 37 LEU MD1 1 64 GLU HB2 . . 4.140 3.743 3.348 4.036 . 0 0 "[ . 1 . 2]" 1
1433 1 37 LEU MD1 1 60 ALA HA . . 4.590 3.896 3.747 4.086 . 0 0 "[ . 1 . 2]" 1
1434 1 35 TYR QD 1 37 LEU MD1 . . 4.700 4.147 3.102 4.380 . 0 0 "[ . 1 . 2]" 1
1435 1 37 LEU MD1 1 40 TRP HE3 . . 5.480 4.560 4.323 4.820 . 0 0 "[ . 1 . 2]" 1
1436 1 37 LEU MD1 1 40 TRP HZ3 . . 5.500 5.268 5.015 5.505 0.005 19 0 "[ . 1 . 2]" 1
1437 1 37 LEU HA 1 37 LEU MD2 . . 2.960 2.190 2.128 2.255 . 0 0 "[ . 1 . 2]" 1
1438 1 32 THR HA 1 32 THR MG . . 3.310 3.186 3.141 3.195 . 0 0 "[ . 1 . 2]" 1
1439 1 20 GLY HA2 1 21 PRO HD2 . . 3.730 2.905 2.587 3.321 . 0 0 "[ . 1 . 2]" 1
1440 1 20 GLY HA3 1 21 PRO HD2 . . 3.730 2.409 2.287 2.601 . 0 0 "[ . 1 . 2]" 1
1441 1 19 ARG HA 1 19 ARG HD3 . . 4.590 3.897 2.300 4.625 0.035 9 0 "[ . 1 . 2]" 1
1442 1 17 LEU HA 1 17 LEU HG . . 4.060 3.294 3.253 3.354 . 0 0 "[ . 1 . 2]" 1
1443 1 14 SER HA 1 17 LEU HB2 . . 5.500 3.630 3.291 3.717 . 0 0 "[ . 1 . 2]" 1
1444 1 14 SER HA 1 17 LEU HB3 . . 5.500 5.157 4.834 5.226 . 0 0 "[ . 1 . 2]" 1
1445 1 17 LEU MD2 1 65 PHE HB3 . . 3.960 3.483 3.313 3.700 . 0 0 "[ . 1 . 2]" 1
1446 1 16 PHE HB3 1 65 PHE QE . . 4.670 4.422 4.106 4.680 0.010 8 0 "[ . 1 . 2]" 1
1447 1 16 PHE HA 1 16 PHE QE . . 5.100 4.196 4.129 4.252 . 0 0 "[ . 1 . 2]" 1
1448 1 12 GLU HA 1 15 GLU HG3 . . 4.310 3.378 2.629 3.469 . 0 0 "[ . 1 . 2]" 1
1449 1 14 SER HB2 1 15 GLU H . . 4.050 3.887 3.804 3.931 . 0 0 "[ . 1 . 2]" 1
1450 1 14 SER HB2 1 69 LEU HB2 . . 5.500 5.517 5.504 5.531 0.031 4 0 "[ . 1 . 2]" 1
1451 1 13 MET HA 1 16 PHE QD . . 4.460 3.803 2.696 4.107 . 0 0 "[ . 1 . 2]" 1
1452 1 13 MET HA 1 65 PHE QD . . 4.890 4.170 3.650 4.424 . 0 0 "[ . 1 . 2]" 1
1453 1 13 MET HA 1 16 PHE HB3 . . 4.550 3.650 3.570 3.877 . 0 0 "[ . 1 . 2]" 1
1454 1 13 MET HA 1 16 PHE HB2 . . 4.550 2.336 2.270 2.510 . 0 0 "[ . 1 . 2]" 1
1455 1 13 MET HB3 1 65 PHE HB3 . . 4.940 2.355 2.264 2.503 . 0 0 "[ . 1 . 2]" 1
1456 1 10 ALA HA 1 13 MET HB2 . . 4.970 2.628 2.436 2.817 . 0 0 "[ . 1 . 2]" 1
1457 1 10 ALA MB 1 11 LYS HA . . 4.230 3.839 3.733 3.871 . 0 0 "[ . 1 . 2]" 1
1458 1 9 MET HB2 1 9 MET ME . . 3.930 3.063 3.018 3.127 . 0 0 "[ . 1 . 2]" 1
1459 1 4 MET HA 1 4 MET ME . . 3.040 2.825 2.304 3.054 0.014 1 0 "[ . 1 . 2]" 1
1460 1 4 MET HB2 1 5 THR H . . 4.310 4.190 4.065 4.330 0.020 12 0 "[ . 1 . 2]" 1
1461 1 4 MET HB3 1 5 THR H . . 4.310 3.881 3.615 4.347 0.037 18 0 "[ . 1 . 2]" 1
1462 1 34 LYS HA 1 35 TYR QD . . 5.450 5.338 4.272 5.472 0.022 7 0 "[ . 1 . 2]" 1
1463 1 13 MET HB2 1 69 LEU MD2 . . 3.530 2.434 2.264 3.370 . 0 0 "[ . 1 . 2]" 1
1464 1 9 MET HG3 1 13 MET ME . . 4.090 2.529 2.372 2.703 . 0 0 "[ . 1 . 2]" 1
1465 1 1 ARG H1 1 1 ARG QG . . 4.620 2.969 2.313 3.643 . 0 0 "[ . 1 . 2]" 1
1466 1 1 ARG HA 1 1 ARG QG . . 3.030 2.264 2.195 2.397 . 0 0 "[ . 1 . 2]" 1
1467 1 1 ARG QG 1 2 PRO HD2 . . 4.060 2.630 2.317 3.022 . 0 0 "[ . 1 . 2]" 1
1468 1 1 ARG QG 1 2 PRO HD3 . . 3.790 3.492 2.892 3.790 0.000 16 0 "[ . 1 . 2]" 1
1469 1 2 PRO HA 1 3 LYS QB . . 5.330 4.298 4.164 4.458 . 0 0 "[ . 1 . 2]" 1
1470 1 2 PRO QB 1 3 LYS H . . 3.190 2.185 1.962 2.311 . 0 0 "[ . 1 . 2]" 1
1471 1 3 LYS H 1 3 LYS QB . . 2.800 2.278 2.126 2.398 . 0 0 "[ . 1 . 2]" 1
1472 1 3 LYS QB 1 4 MET H . . 4.030 3.749 3.081 4.003 . 0 0 "[ . 1 . 2]" 1
1473 1 4 MET H 1 4 MET QB . . 2.730 2.375 2.196 2.675 . 0 0 "[ . 1 . 2]" 1
1474 1 4 MET H 1 4 MET QG . . 4.430 4.093 3.889 4.276 . 0 0 "[ . 1 . 2]" 1
1475 1 4 MET HA 1 4 MET QG . . 3.180 2.666 2.464 3.210 0.030 18 0 "[ . 1 . 2]" 1
1476 1 4 MET HA 1 8 GLN QB . . 4.720 3.964 3.482 4.188 . 0 0 "[ . 1 . 2]" 1
1477 1 4 MET HA 1 8 GLN QG . . 5.230 4.853 4.449 5.036 . 0 0 "[ . 1 . 2]" 1
1478 1 4 MET QG 1 5 THR H . . 3.640 2.462 1.933 3.473 . 0 0 "[ . 1 . 2]" 1
1479 1 4 MET QG 1 5 THR MG . . 5.000 4.229 3.928 4.755 . 0 0 "[ . 1 . 2]" 1
1480 1 4 MET QG 1 9 MET HB3 . . 4.190 3.120 2.871 3.306 . 0 0 "[ . 1 . 2]" 1
1481 1 4 MET QG 1 42 TYR QD . . 4.460 3.383 2.884 3.821 . 0 0 "[ . 1 . 2]" 1
1482 1 5 THR H 1 8 GLN QB . . 3.410 2.468 2.191 2.586 . 0 0 "[ . 1 . 2]" 1
1483 1 5 THR H 1 8 GLN QG . . 4.180 4.127 3.998 4.180 . 0 0 "[ . 1 . 2]" 1
1484 1 5 THR HA 1 8 GLN QB . . 5.340 4.401 4.321 4.450 . 0 0 "[ . 1 . 2]" 1
1485 1 5 THR MG 1 6 PRO QG . . 5.240 5.033 4.792 5.103 . 0 0 "[ . 1 . 2]" 1
1486 1 5 THR MG 1 8 GLN QB . . 3.550 2.922 2.767 3.229 . 0 0 "[ . 1 . 2]" 1
1487 1 5 THR MG 1 8 GLN QG . . 4.850 4.511 4.331 4.860 0.010 2 0 "[ . 1 . 2]" 1
1488 1 5 THR MG 1 8 GLN QE . . 4.260 2.561 1.936 4.103 . 0 0 "[ . 1 . 2]" 1
1489 1 6 PRO QG 1 7 GLU H . . 3.330 2.482 2.409 2.638 . 0 0 "[ . 1 . 2]" 1
1490 1 7 GLU QG 1 11 LYS QG . . 4.170 2.851 2.735 3.081 . 0 0 "[ . 1 . 2]" 1
1491 1 8 GLN H 1 8 GLN QB . . 2.910 2.255 2.248 2.262 . 0 0 "[ . 1 . 2]" 1
1492 1 8 GLN HA 1 8 GLN QG . . 3.270 2.349 2.283 2.378 . 0 0 "[ . 1 . 2]" 1
1493 1 8 GLN HA 1 8 GLN QE . . 5.190 4.256 3.850 4.971 . 0 0 "[ . 1 . 2]" 1
1494 1 8 GLN HA 1 11 LYS QG . . 5.340 3.850 3.635 4.160 . 0 0 "[ . 1 . 2]" 1
1495 1 8 GLN HA 1 11 LYS QD . . 4.100 2.814 2.382 3.146 . 0 0 "[ . 1 . 2]" 1
1496 1 8 GLN QB 1 9 MET H . . 3.500 2.280 2.171 2.370 . 0 0 "[ . 1 . 2]" 1
1497 1 8 GLN QB 1 10 ALA H . . 4.730 4.489 4.411 4.584 . 0 0 "[ . 1 . 2]" 1
1498 1 8 GLN QE 1 8 GLN QG . . 3.020 2.694 2.180 2.825 . 0 0 "[ . 1 . 2]" 1
1499 1 8 GLN QG 1 9 MET H . . 3.800 3.238 3.124 3.438 . 0 0 "[ . 1 . 2]" 1
1500 1 9 MET HA 1 12 GLU QB . . 3.880 2.706 2.468 2.966 . 0 0 "[ . 1 . 2]" 1
1501 1 9 MET HA 1 12 GLU QG . . 4.310 3.416 3.144 3.745 . 0 0 "[ . 1 . 2]" 1
1502 1 10 ALA H 1 69 LEU QD . . 4.700 4.189 4.044 4.454 . 0 0 "[ . 1 . 2]" 1
1503 1 10 ALA HA 1 69 LEU QD . . 3.500 2.192 2.047 2.451 . 0 0 "[ . 1 . 2]" 1
1504 1 10 ALA MB 1 69 LEU QD . . 3.410 2.265 1.996 2.442 . 0 0 "[ . 1 . 2]" 1
1505 1 11 LYS H 1 11 LYS QG . . 3.590 2.521 2.372 2.622 . 0 0 "[ . 1 . 2]" 1
1506 1 11 LYS H 1 11 LYS QD . . 4.550 3.725 3.501 3.876 . 0 0 "[ . 1 . 2]" 1
1507 1 11 LYS H 1 12 GLU QG . . 4.730 4.236 4.041 4.631 . 0 0 "[ . 1 . 2]" 1
1508 1 11 LYS H 1 69 LEU QD . . 4.660 4.491 4.087 4.659 . 0 0 "[ . 1 . 2]" 1
1509 1 11 LYS HA 1 11 LYS QD . . 4.400 4.016 3.934 4.093 . 0 0 "[ . 1 . 2]" 1
1510 1 11 LYS HB2 1 11 LYS QD . . 3.250 2.371 2.257 2.444 . 0 0 "[ . 1 . 2]" 1
1511 1 11 LYS QD 1 11 LYS QG . . 2.310 2.074 2.015 2.107 . 0 0 "[ . 1 . 2]" 1
1512 1 11 LYS QG 1 12 GLU H . . 4.660 4.174 4.075 4.225 . 0 0 "[ . 1 . 2]" 1
1513 1 11 LYS QD 1 12 GLU H . . 5.340 4.637 4.471 4.786 . 0 0 "[ . 1 . 2]" 1
1514 1 12 GLU H 1 12 GLU QB . . 3.170 2.427 2.349 2.542 . 0 0 "[ . 1 . 2]" 1
1515 1 12 GLU H 1 12 GLU QG . . 3.480 2.121 1.892 2.287 . 0 0 "[ . 1 . 2]" 1
1516 1 12 GLU H 1 69 LEU QD . . 5.440 5.314 5.209 5.409 . 0 0 "[ . 1 . 2]" 1
1517 1 12 GLU HA 1 12 GLU QG . . 3.470 2.647 2.279 2.855 . 0 0 "[ . 1 . 2]" 1
1518 1 12 GLU QB 1 13 MET H . . 3.760 2.635 2.341 2.690 . 0 0 "[ . 1 . 2]" 1
1519 1 12 GLU QB 1 42 TYR QE . . 5.180 3.736 3.531 4.139 . 0 0 "[ . 1 . 2]" 1
1520 1 12 GLU QG 1 13 MET H . . 4.370 4.050 3.875 4.165 . 0 0 "[ . 1 . 2]" 1
1521 1 12 GLU QG 1 42 TYR QE . . 5.340 4.709 4.283 5.287 . 0 0 "[ . 1 . 2]" 1
1522 1 13 MET H 1 69 LEU QD . . 4.640 3.941 3.829 4.050 . 0 0 "[ . 1 . 2]" 1
1523 1 13 MET HB2 1 69 LEU QD . . 3.090 2.260 2.211 2.567 . 0 0 "[ . 1 . 2]" 1
1524 1 13 MET HB3 1 17 LEU QD . . 4.480 3.660 3.508 3.741 . 0 0 "[ . 1 . 2]" 1
1525 1 13 MET HB3 1 69 LEU QD . . 3.630 2.196 2.092 2.266 . 0 0 "[ . 1 . 2]" 1
1526 1 14 SER H 1 69 LEU QD . . 3.320 2.833 2.351 3.061 . 0 0 "[ . 1 . 2]" 1
1527 1 14 SER HA 1 17 LEU QB . . 4.730 3.561 3.239 3.643 . 0 0 "[ . 1 . 2]" 1
1528 1 14 SER HA 1 17 LEU QD . . 4.050 3.099 2.921 3.342 . 0 0 "[ . 1 . 2]" 1
1529 1 14 SER HB2 1 69 LEU QD . . 4.300 2.686 2.227 3.020 . 0 0 "[ . 1 . 2]" 1
1530 1 14 SER HB3 1 69 LEU QD . . 4.280 3.599 3.354 3.821 . 0 0 "[ . 1 . 2]" 1
1531 1 15 GLU H 1 69 LEU QD . . 5.400 5.018 4.473 5.236 . 0 0 "[ . 1 . 2]" 1
1532 1 16 PHE HA 1 19 ARG QG . . 4.720 3.360 2.279 4.376 . 0 0 "[ . 1 . 2]" 1
1533 1 16 PHE HB2 1 17 LEU QD . . 3.670 3.617 3.431 3.676 0.006 11 0 "[ . 1 . 2]" 1
1534 1 16 PHE QD 1 17 LEU QD . . 5.020 4.048 3.806 4.381 . 0 0 "[ . 1 . 2]" 1
1535 1 17 LEU H 1 17 LEU QD . . 3.350 2.577 2.463 2.770 . 0 0 "[ . 1 . 2]" 1
1536 1 17 LEU HA 1 17 LEU QD . . 2.880 2.075 2.052 2.089 . 0 0 "[ . 1 . 2]" 1
1537 1 17 LEU QB 1 17 LEU QD . . 2.590 1.947 1.934 1.963 . 0 0 "[ . 1 . 2]" 1
1538 1 17 LEU QB 1 18 SER H . . 3.340 2.425 2.323 2.696 . 0 0 "[ . 1 . 2]" 1
1539 1 17 LEU QB 1 18 SER HA . . 4.200 3.803 3.768 3.898 . 0 0 "[ . 1 . 2]" 1
1540 1 17 LEU QB 1 18 SER QB . . 5.180 3.895 3.787 4.452 . 0 0 "[ . 1 . 2]" 1
1541 1 17 LEU HG 1 62 ARG QG . . 4.740 4.548 4.439 4.742 0.002 19 0 "[ . 1 . 2]" 1
1542 1 17 LEU QD 1 18 SER H . . 4.180 3.921 3.872 4.032 . 0 0 "[ . 1 . 2]" 1
1543 1 17 LEU QD 1 62 ARG H . . 4.900 4.348 4.246 4.536 . 0 0 "[ . 1 . 2]" 1
1544 1 17 LEU QD 1 62 ARG HA . . 3.420 2.287 2.199 2.451 . 0 0 "[ . 1 . 2]" 1
1545 1 17 LEU QD 1 62 ARG HB2 . . 4.260 3.659 3.547 3.935 . 0 0 "[ . 1 . 2]" 1
1546 1 17 LEU QD 1 62 ARG HB3 . . 3.540 2.400 2.227 2.854 . 0 0 "[ . 1 . 2]" 1
1547 1 17 LEU QD 1 62 ARG QG . . 3.650 2.055 1.984 2.193 . 0 0 "[ . 1 . 2]" 1
1548 1 17 LEU QD 1 62 ARG QD . . 4.030 3.056 2.494 3.629 . 0 0 "[ . 1 . 2]" 1
1549 1 17 LEU QD 1 63 GLU H . . 5.010 4.402 4.272 4.583 . 0 0 "[ . 1 . 2]" 1
1550 1 17 LEU QD 1 63 GLU QB . . 5.440 5.222 5.115 5.350 . 0 0 "[ . 1 . 2]" 1
1551 1 17 LEU QD 1 65 PHE H . . 4.140 3.853 3.698 3.994 . 0 0 "[ . 1 . 2]" 1
1552 1 17 LEU QD 1 65 PHE HB3 . . 3.430 2.785 2.566 2.940 . 0 0 "[ . 1 . 2]" 1
1553 1 17 LEU QD 1 65 PHE QD . . 3.130 2.326 2.196 2.508 . 0 0 "[ . 1 . 2]" 1
1554 1 17 LEU QD 1 66 HIS HA . . 3.460 2.574 2.419 2.694 . 0 0 "[ . 1 . 2]" 1
1555 1 17 LEU QD 1 66 HIS QB . . 3.660 2.210 2.149 2.276 . 0 0 "[ . 1 . 2]" 1
1556 1 17 LEU QD 1 69 LEU HG . . 4.900 3.749 3.395 4.527 . 0 0 "[ . 1 . 2]" 1
1557 1 18 SER H 1 18 SER QB . . 2.870 2.239 2.044 2.891 0.021 8 0 "[ . 1 . 2]" 1
1558 1 18 SER QB 1 19 ARG H . . 3.850 2.766 2.431 3.283 . 0 0 "[ . 1 . 2]" 1
1559 1 18 SER QB 1 20 GLY H . . 5.340 4.823 4.415 5.121 . 0 0 "[ . 1 . 2]" 1
1560 1 19 ARG H 1 19 ARG QG . . 3.510 2.455 1.958 3.534 0.024 16 0 "[ . 1 . 2]" 1
1561 1 19 ARG H 1 19 ARG QD . . 4.720 4.041 2.216 4.638 . 0 0 "[ . 1 . 2]" 1
1562 1 19 ARG H 1 20 GLY QA . . 4.620 4.356 4.141 4.557 . 0 0 "[ . 1 . 2]" 1
1563 1 19 ARG HA 1 19 ARG QG . . 3.360 2.490 2.243 3.318 . 0 0 "[ . 1 . 2]" 1
1564 1 19 ARG HA 1 19 ARG QD . . 3.910 3.385 2.266 3.963 0.053 1 0 "[ . 1 . 2]" 1
1565 1 19 ARG QB 1 19 ARG QD . . 2.920 2.270 2.097 2.543 . 0 0 "[ . 1 . 2]" 1
1566 1 19 ARG QB 1 19 ARG HE . . 4.540 3.316 1.848 4.412 . 0 0 "[ . 1 . 2]" 1
1567 1 19 ARG HE 1 19 ARG QG . . 3.600 2.626 2.171 3.254 . 0 0 "[ . 1 . 2]" 1
1568 1 19 ARG QG 1 20 GLY H . . 4.380 3.876 1.805 4.441 0.061 16 0 "[ . 1 . 2]" 1
1569 1 20 GLY H 1 21 PRO QD . . 4.380 4.258 4.138 4.376 . 0 0 "[ . 1 . 2]" 1
1570 1 20 GLY QA 1 21 PRO QG . . 3.910 3.752 3.736 3.764 . 0 0 "[ . 1 . 2]" 1
1571 1 20 GLY QA 1 21 PRO QD . . 2.890 2.035 2.030 2.041 . 0 0 "[ . 1 . 2]" 1
1572 1 21 PRO HB2 1 23 VAL QG . . 4.470 3.188 2.178 4.323 . 0 0 "[ . 1 . 2]" 1
1573 1 23 VAL H 1 23 VAL QG . . 2.870 2.229 1.696 2.806 . 0 0 "[ . 1 . 2]" 1
1574 1 23 VAL HA 1 23 VAL QG . . 2.710 2.152 2.046 2.297 . 0 0 "[ . 1 . 2]" 1
1575 1 23 VAL QG 1 24 LEU H . . 3.370 3.066 2.099 3.386 0.016 18 0 "[ . 1 . 2]" 1
1576 1 24 LEU H 1 24 LEU QB . . 3.200 2.511 2.288 3.139 . 0 0 "[ . 1 . 2]" 1
1577 1 24 LEU HA 1 24 LEU QD . . 3.020 2.221 2.096 2.568 . 0 0 "[ . 1 . 2]" 1
1578 1 24 LEU QB 1 25 ALA H . . 3.680 2.584 1.861 3.699 0.019 7 0 "[ . 1 . 2]" 1
1579 1 24 LEU QB 1 26 THR H . . 4.800 2.935 2.367 3.660 . 0 0 "[ . 1 . 2]" 1
1580 1 24 LEU QD 1 25 ALA H . . 3.520 3.262 2.567 3.538 0.018 18 0 "[ . 1 . 2]" 1
1581 1 24 LEU QD 1 26 THR H . . 4.820 3.910 2.493 4.499 . 0 0 "[ . 1 . 2]" 1
1582 1 27 LYS QB 1 28 ALA H . . 3.970 3.080 1.785 3.920 . 0 0 "[ . 1 . 2]" 1
1583 1 33 LYS H 1 33 LYS QG . . 3.300 2.121 1.798 2.767 . 0 0 "[ . 1 . 2]" 1
1584 1 33 LYS HA 1 33 LYS QG . . 3.590 2.803 2.288 3.308 . 0 0 "[ . 1 . 2]" 1
1585 1 33 LYS QG 1 34 LYS H . . 4.630 4.123 3.105 4.480 . 0 0 "[ . 1 . 2]" 1
1586 1 34 LYS H 1 34 LYS QG . . 3.120 1.858 1.712 2.290 . 0 0 "[ . 1 . 2]" 1
1587 1 34 LYS QE 1 34 LYS QG . . 3.330 2.197 2.112 2.483 . 0 0 "[ . 1 . 2]" 1
1588 1 34 LYS QG 1 35 TYR H . . 3.660 2.414 1.727 2.730 . 0 0 "[ . 1 . 2]" 1
1589 1 34 LYS QG 1 35 TYR QD . . 4.750 2.266 2.146 2.323 . 0 0 "[ . 1 . 2]" 1
1590 1 34 LYS QG 1 35 TYR QE . . 4.210 3.439 2.977 4.218 0.008 2 0 "[ . 1 . 2]" 1
1591 1 35 TYR QB 1 57 LEU QD . . 4.180 3.455 3.300 3.733 . 0 0 "[ . 1 . 2]" 1
1592 1 35 TYR QE 1 57 LEU QD . . 3.630 3.529 2.287 3.647 0.017 20 0 "[ . 1 . 2]" 1
1593 1 36 ASP H 1 36 ASP QB . . 3.300 2.528 2.327 2.869 . 0 0 "[ . 1 . 2]" 1
1594 1 36 ASP QB 1 37 LEU H . . 4.210 3.739 3.695 4.012 . 0 0 "[ . 1 . 2]" 1
1595 1 36 ASP QB 1 38 SER H . . 4.180 3.174 3.016 3.895 . 0 0 "[ . 1 . 2]" 1
1596 1 37 LEU H 1 38 SER QB . . 4.400 4.262 4.129 4.365 . 0 0 "[ . 1 . 2]" 1
1597 1 37 LEU H 1 45 LEU QD . . 4.970 4.709 4.483 4.933 . 0 0 "[ . 1 . 2]" 1
1598 1 37 LEU H 1 64 GLU QG . . 4.710 3.643 3.200 4.007 . 0 0 "[ . 1 . 2]" 1
1599 1 37 LEU HA 1 45 LEU QD . . 4.200 4.164 4.061 4.218 0.018 12 0 "[ . 1 . 2]" 1
1600 1 37 LEU MD1 1 45 LEU QD . . 3.060 2.169 2.059 2.351 . 0 0 "[ . 1 . 2]" 1
1601 1 37 LEU MD1 1 57 LEU QD . . 3.100 2.258 2.151 2.438 . 0 0 "[ . 1 . 2]" 1
1602 1 37 LEU MD2 1 45 LEU QD . . 3.790 3.490 3.396 3.637 . 0 0 "[ . 1 . 2]" 1
1603 1 37 LEU MD2 1 57 LEU QD . . 3.090 2.714 2.581 2.805 . 0 0 "[ . 1 . 2]" 1
1604 1 37 LEU MD2 1 64 GLU QG . . 5.340 4.782 4.515 4.883 . 0 0 "[ . 1 . 2]" 1
1605 1 38 SER H 1 39 LYS QB . . 5.070 4.827 4.692 4.911 . 0 0 "[ . 1 . 2]" 1
1606 1 39 LYS H 1 39 LYS QB . . 3.190 2.605 2.448 2.688 . 0 0 "[ . 1 . 2]" 1
1607 1 39 LYS H 1 39 LYS QG . . 3.260 2.290 1.960 2.437 . 0 0 "[ . 1 . 2]" 1
1608 1 39 LYS HA 1 39 LYS QG . . 3.330 2.574 2.438 3.096 . 0 0 "[ . 1 . 2]" 1
1609 1 39 LYS QB 1 40 TRP H . . 3.710 3.389 3.131 3.529 . 0 0 "[ . 1 . 2]" 1
1610 1 39 LYS QB 1 40 TRP HD1 . . 5.020 2.796 2.685 2.859 . 0 0 "[ . 1 . 2]" 1
1611 1 39 LYS QB 1 40 TRP HE1 . . 4.470 3.830 3.634 4.087 . 0 0 "[ . 1 . 2]" 1
1612 1 39 LYS QG 1 40 TRP H . . 4.140 4.088 3.806 4.160 0.020 5 0 "[ . 1 . 2]" 1
1613 1 40 TRP H 1 41 LYS QD . . 5.340 4.725 4.380 5.360 0.020 12 0 "[ . 1 . 2]" 1
1614 1 40 TRP H 1 45 LEU QD . . 5.280 3.829 3.672 3.972 . 0 0 "[ . 1 . 2]" 1
1615 1 40 TRP H 1 64 GLU QG . . 5.340 5.224 4.811 5.386 0.046 12 0 "[ . 1 . 2]" 1
1616 1 40 TRP HA 1 41 LYS QG . . 3.760 3.201 3.091 3.312 . 0 0 "[ . 1 . 2]" 1
1617 1 40 TRP QB 1 44 GLU QB . . 4.050 2.486 2.386 2.643 . 0 0 "[ . 1 . 2]" 1
1618 1 40 TRP QB 1 44 GLU QG . . 5.150 3.937 3.790 4.299 . 0 0 "[ . 1 . 2]" 1
1619 1 40 TRP QB 1 45 LEU QD . . 3.420 2.055 1.977 2.156 . 0 0 "[ . 1 . 2]" 1
1620 1 40 TRP HE3 1 44 GLU QB . . 3.830 2.223 2.211 2.246 . 0 0 "[ . 1 . 2]" 1
1621 1 40 TRP HE3 1 45 LEU QD . . 3.130 2.607 2.355 2.897 . 0 0 "[ . 1 . 2]" 1
1622 1 40 TRP HE1 1 57 LEU QD . . 5.440 5.420 5.205 5.463 0.023 7 0 "[ . 1 . 2]" 1
1623 1 40 TRP HZ3 1 45 LEU QD . . 5.020 4.186 3.953 4.457 . 0 0 "[ . 1 . 2]" 1
1624 1 40 TRP HZ3 1 57 LEU QD . . 5.220 4.335 4.086 4.460 . 0 0 "[ . 1 . 2]" 1
1625 1 40 TRP HZ2 1 57 LEU QD . . 4.410 4.313 4.008 4.410 0.000 5 0 "[ . 1 . 2]" 1
1626 1 40 TRP HH2 1 57 LEU QD . . 4.020 3.985 3.659 4.033 0.013 16 0 "[ . 1 . 2]" 1
1627 1 41 LYS H 1 41 LYS QB . . 3.430 2.669 2.590 2.860 . 0 0 "[ . 1 . 2]" 1
1628 1 41 LYS H 1 41 LYS QG . . 3.250 2.309 1.971 2.567 . 0 0 "[ . 1 . 2]" 1
1629 1 41 LYS H 1 41 LYS QD . . 4.610 3.331 2.822 4.026 . 0 0 "[ . 1 . 2]" 1
1630 1 41 LYS H 1 44 GLU QB . . 3.200 1.906 1.799 2.128 . 0 0 "[ . 1 . 2]" 1
1631 1 41 LYS H 1 45 LEU QD . . 4.550 3.897 3.704 4.223 . 0 0 "[ . 1 . 2]" 1
1632 1 41 LYS HA 1 41 LYS QG . . 3.360 3.060 2.839 3.211 . 0 0 "[ . 1 . 2]" 1
1633 1 41 LYS HA 1 41 LYS QD . . 3.520 2.187 2.165 2.247 . 0 0 "[ . 1 . 2]" 1
1634 1 41 LYS QB 1 41 LYS QD . . 3.240 2.296 2.246 2.594 . 0 0 "[ . 1 . 2]" 1
1635 1 41 LYS QB 1 42 TYR H . . 3.780 2.624 2.449 2.805 . 0 0 "[ . 1 . 2]" 1
1636 1 41 LYS QB 1 43 ALA MB . . 3.600 3.058 2.865 3.226 . 0 0 "[ . 1 . 2]" 1
1637 1 41 LYS QB 1 44 GLU H . . 3.250 2.397 2.264 2.522 . 0 0 "[ . 1 . 2]" 1
1638 1 41 LYS QB 1 44 GLU QG . . 3.250 2.188 2.108 2.304 . 0 0 "[ . 1 . 2]" 1
1639 1 41 LYS QG 1 42 TYR H . . 5.340 4.490 4.368 4.600 . 0 0 "[ . 1 . 2]" 1
1640 1 41 LYS QD 1 42 TYR H . . 5.340 3.781 3.608 4.298 . 0 0 "[ . 1 . 2]" 1
1641 1 42 TYR H 1 45 LEU QD . . 5.050 4.020 3.770 4.361 . 0 0 "[ . 1 . 2]" 1
1642 1 42 TYR HA 1 45 LEU QD . . 3.370 2.614 2.302 2.891 . 0 0 "[ . 1 . 2]" 1
1643 1 43 ALA H 1 44 GLU QG . . 4.540 4.039 3.968 4.157 . 0 0 "[ . 1 . 2]" 1
1644 1 43 ALA MB 1 44 GLU QG . . 4.130 3.019 2.899 3.337 . 0 0 "[ . 1 . 2]" 1
1645 1 44 GLU H 1 44 GLU QB . . 3.130 2.461 2.399 2.493 . 0 0 "[ . 1 . 2]" 1
1646 1 44 GLU H 1 44 GLU QG . . 3.240 2.088 1.995 2.263 . 0 0 "[ . 1 . 2]" 1
1647 1 44 GLU H 1 45 LEU QD . . 4.750 4.646 4.535 4.759 0.009 8 0 "[ . 1 . 2]" 1
1648 1 44 GLU HA 1 44 GLU QG . . 3.430 2.635 2.284 2.746 . 0 0 "[ . 1 . 2]" 1
1649 1 45 LEU H 1 45 LEU QD . . 3.390 3.018 2.932 3.091 . 0 0 "[ . 1 . 2]" 1
1650 1 45 LEU HA 1 45 LEU QD . . 3.090 2.124 2.092 2.178 . 0 0 "[ . 1 . 2]" 1
1651 1 45 LEU QD 1 46 ARG H . . 3.980 3.792 3.744 3.868 . 0 0 "[ . 1 . 2]" 1
1652 1 45 LEU QD 1 48 THR H . . 5.440 4.929 4.839 4.999 . 0 0 "[ . 1 . 2]" 1
1653 1 45 LEU QD 1 61 CYS H . . 4.620 4.245 4.095 4.587 . 0 0 "[ . 1 . 2]" 1
1654 1 45 LEU QD 1 61 CYS HA . . 3.540 2.542 2.260 2.811 . 0 0 "[ . 1 . 2]" 1
1655 1 45 LEU QD 1 61 CYS HB2 . . 5.260 3.986 3.811 4.177 . 0 0 "[ . 1 . 2]" 1
1656 1 45 LEU QD 1 64 GLU H . . 5.210 4.478 4.321 4.644 . 0 0 "[ . 1 . 2]" 1
1657 1 45 LEU QD 1 64 GLU HB3 . . 5.210 2.684 2.348 2.955 . 0 0 "[ . 1 . 2]" 1
1658 1 45 LEU QD 1 64 GLU QG . . 3.210 2.797 2.523 3.082 . 0 0 "[ . 1 . 2]" 1
1659 1 45 LEU MD1 1 64 GLU HG3 . . 5.340 4.007 3.054 4.492 . 0 0 "[ . 1 . 2]" 1
1660 1 45 LEU QD 1 65 PHE H . . 5.440 4.080 3.899 4.375 . 0 0 "[ . 1 . 2]" 1
1661 1 45 LEU QD 1 65 PHE QD . . 3.580 3.384 3.156 3.603 0.023 14 0 "[ . 1 . 2]" 1
1662 1 45 LEU QD 1 65 PHE QE . . 3.220 2.317 2.095 2.478 . 0 0 "[ . 1 . 2]" 1
1663 1 45 LEU QD 1 65 PHE HZ . . 4.260 3.339 3.278 3.577 . 0 0 "[ . 1 . 2]" 1
1664 1 45 LEU QD 1 68 ARG QD . . 4.150 3.857 3.178 4.096 . 0 0 "[ . 1 . 2]" 1
1665 1 45 LEU QD 1 68 ARG HE . . 4.460 3.803 3.364 4.467 0.007 18 0 "[ . 1 . 2]" 1
1666 1 46 ARG HB2 1 50 ASN QD . . 4.640 2.822 2.497 3.651 . 0 0 "[ . 1 . 2]" 1
1667 1 46 ARG HB3 1 50 ASN QD . . 5.200 4.310 3.979 5.202 0.002 1 0 "[ . 1 . 2]" 1
1668 1 47 ASP H 1 50 ASN QD . . 5.340 4.055 3.830 5.031 . 0 0 "[ . 1 . 2]" 1
1669 1 47 ASP HA 1 50 ASN QD . . 4.100 2.824 2.631 3.361 . 0 0 "[ . 1 . 2]" 1
1670 1 48 THR MG 1 57 LEU QD . . 2.660 2.005 1.965 2.019 . 0 0 "[ . 1 . 2]" 1
1671 1 49 ILE H 1 58 LEU QD . . 4.340 3.872 3.746 4.367 0.027 3 0 "[ . 1 . 2]" 1
1672 1 49 ILE HA 1 58 LEU QD . . 2.520 2.094 2.002 2.400 . 0 0 "[ . 1 . 2]" 1
1673 1 49 ILE HB 1 58 LEU QD . . 3.940 2.032 2.010 2.150 . 0 0 "[ . 1 . 2]" 1
1674 1 49 ILE MG 1 58 LEU QD . . 3.410 2.039 1.931 2.870 . 0 0 "[ . 1 . 2]" 1
1675 1 49 ILE HG13 1 58 LEU QD . . 3.910 3.898 3.878 3.925 0.015 10 0 "[ . 1 . 2]" 1
1676 1 49 ILE MD 1 58 LEU QD . . 3.550 3.273 3.220 3.498 . 0 0 "[ . 1 . 2]" 1
1677 1 50 ASN H 1 50 ASN QD . . 4.440 3.400 3.144 4.253 . 0 0 "[ . 1 . 2]" 1
1678 1 50 ASN H 1 58 LEU QD . . 4.840 4.499 4.441 4.641 . 0 0 "[ . 1 . 2]" 1
1679 1 51 THR H 1 58 LEU QD . . 5.420 4.803 4.720 4.924 . 0 0 "[ . 1 . 2]" 1
1680 1 52 SER H 1 58 LEU QD . . 4.470 3.695 3.560 3.807 . 0 0 "[ . 1 . 2]" 1
1681 1 52 SER HA 1 53 CYS QB . . 4.090 3.869 3.847 3.893 . 0 0 "[ . 1 . 2]" 1
1682 1 52 SER HB2 1 57 LEU QD . . 3.810 3.520 3.186 3.666 . 0 0 "[ . 1 . 2]" 1
1683 1 52 SER HB3 1 57 LEU QD . . 3.800 3.513 3.242 3.605 . 0 0 "[ . 1 . 2]" 1
1684 1 52 SER HB3 1 58 LEU QD . . 3.840 2.239 2.146 2.496 . 0 0 "[ . 1 . 2]" 1
1685 1 53 CYS H 1 57 LEU QD . . 4.960 4.829 4.146 4.947 . 0 0 "[ . 1 . 2]" 1
1686 1 53 CYS H 1 58 LEU QD . . 4.450 3.378 3.066 3.558 . 0 0 "[ . 1 . 2]" 1
1687 1 53 CYS HA 1 58 LEU QD . . 3.730 3.428 2.609 3.688 . 0 0 "[ . 1 . 2]" 1
1688 1 53 CYS QB 1 54 ASP H . . 3.920 3.741 3.703 3.786 . 0 0 "[ . 1 . 2]" 1
1689 1 54 ASP H 1 55 ILE QG . . 5.340 5.377 5.364 5.389 0.049 2 0 "[ . 1 . 2]" 1
1690 1 54 ASP H 1 57 LEU QD . . 4.020 4.025 3.458 4.067 0.047 7 0 "[ . 1 . 2]" 1
1691 1 54 ASP H 1 58 LEU QD . . 3.660 2.461 1.964 2.673 . 0 0 "[ . 1 . 2]" 1
1692 1 54 ASP HA 1 55 ILE QG . . 4.090 3.539 3.424 3.983 . 0 0 "[ . 1 . 2]" 1
1693 1 54 ASP HB2 1 57 LEU QD . . 4.130 3.488 2.453 3.576 . 0 0 "[ . 1 . 2]" 1
1694 1 54 ASP HB3 1 57 LEU QD . . 4.520 3.878 3.347 3.965 . 0 0 "[ . 1 . 2]" 1
1695 1 54 ASP HB3 1 58 LEU QD . . 3.990 3.905 3.739 3.997 0.007 4 0 "[ . 1 . 2]" 1
1696 1 55 ILE H 1 58 LEU QD . . 4.980 4.659 3.964 4.790 . 0 0 "[ . 1 . 2]" 1
1697 1 55 ILE HA 1 55 ILE QG . . 3.370 2.723 2.535 2.755 . 0 0 "[ . 1 . 2]" 1
1698 1 55 ILE HA 1 58 LEU QB . . 3.480 2.681 2.564 2.926 . 0 0 "[ . 1 . 2]" 1
1699 1 55 ILE QG 1 55 ILE MG . . 2.690 2.450 2.115 2.477 . 0 0 "[ . 1 . 2]" 1
1700 1 55 ILE QG 1 56 GLU H . . 3.820 3.754 3.727 3.894 0.074 19 0 "[ . 1 . 2]" 1
1701 1 57 LEU H 1 57 LEU QD . . 3.660 3.581 3.568 3.716 0.056 19 0 "[ . 1 . 2]" 1
1702 1 57 LEU H 1 58 LEU QD . . 4.580 4.205 4.137 4.340 . 0 0 "[ . 1 . 2]" 1
1703 1 57 LEU HA 1 57 LEU QD . . 2.870 1.992 1.962 2.334 . 0 0 "[ . 1 . 2]" 1
1704 1 57 LEU HB2 1 57 LEU QD . . 3.100 2.332 2.117 2.355 . 0 0 "[ . 1 . 2]" 1
1705 1 57 LEU HB3 1 57 LEU QD . . 3.060 2.165 2.157 2.170 . 0 0 "[ . 1 . 2]" 1
1706 1 57 LEU QD 1 58 LEU H . . 3.290 2.549 2.464 2.946 . 0 0 "[ . 1 . 2]" 1
1707 1 57 LEU QD 1 58 LEU HA . . 3.450 2.516 2.423 3.277 . 0 0 "[ . 1 . 2]" 1
1708 1 57 LEU QD 1 59 ALA H . . 5.040 4.224 4.108 4.741 . 0 0 "[ . 1 . 2]" 1
1709 1 57 LEU QD 1 60 ALA H . . 4.180 3.811 3.603 4.214 0.034 19 0 "[ . 1 . 2]" 1
1710 1 57 LEU QD 1 60 ALA MB . . 3.220 2.449 2.245 2.907 . 0 0 "[ . 1 . 2]" 1
1711 1 57 LEU QD 1 61 CYS H . . 3.730 2.962 2.821 3.495 . 0 0 "[ . 1 . 2]" 1
1712 1 57 LEU QD 1 61 CYS HA . . 5.010 4.325 4.233 4.410 . 0 0 "[ . 1 . 2]" 1
1713 1 57 LEU QD 1 61 CYS HB2 . . 4.800 3.492 3.373 3.776 . 0 0 "[ . 1 . 2]" 1
1714 1 57 LEU QD 1 61 CYS HG . . 3.280 1.727 1.669 2.178 . 0 0 "[ . 1 . 2]" 1
1715 1 58 LEU H 1 58 LEU QB . . 3.100 2.207 2.178 2.258 . 0 0 "[ . 1 . 2]" 1
1716 1 58 LEU H 1 58 LEU QD . . 3.160 1.936 1.807 2.405 . 0 0 "[ . 1 . 2]" 1
1717 1 58 LEU HA 1 58 LEU QD . . 2.780 2.002 1.897 2.884 0.104 3 0 "[ . 1 . 2]" 1
1718 1 58 LEU QB 1 58 LEU QD . . 2.720 2.040 1.853 2.066 . 0 0 "[ . 1 . 2]" 1
1719 1 58 LEU QB 1 60 ALA H . . 5.340 4.712 4.598 4.775 . 0 0 "[ . 1 . 2]" 1
1720 1 58 LEU QD 1 59 ALA H . . 4.040 3.873 3.846 4.024 . 0 0 "[ . 1 . 2]" 1
1721 1 58 LEU QD 1 61 CYS HB2 . . 4.350 3.715 3.380 4.383 0.033 15 0 "[ . 1 . 2]" 1
1722 1 58 LEU QD 1 62 ARG H . . 5.440 4.360 4.094 4.995 . 0 0 "[ . 1 . 2]" 1
1723 1 59 ALA HA 1 62 ARG QG . . 4.940 4.101 3.869 4.226 . 0 0 "[ . 1 . 2]" 1
1724 1 61 CYS HA 1 64 GLU QG . . 4.640 3.750 3.036 4.071 . 0 0 "[ . 1 . 2]" 1
1725 1 61 CYS HB2 1 62 ARG QG . . 5.070 3.660 3.420 4.868 . 0 0 "[ . 1 . 2]" 1
1726 1 62 ARG H 1 62 ARG QG . . 4.160 2.558 2.392 3.519 . 0 0 "[ . 1 . 2]" 1
1727 1 62 ARG QG 1 65 PHE QD . . 5.340 3.366 3.133 3.457 . 0 0 "[ . 1 . 2]" 1
1728 1 62 ARG QD 1 62 ARG QH2 . . 3.970 3.614 3.575 3.657 . 0 0 "[ . 1 . 2]" 1
1729 1 64 GLU H 1 64 GLU QG . . 4.340 3.413 2.335 3.728 . 0 0 "[ . 1 . 2]" 1
1730 1 64 GLU HA 1 67 ARG QB . . 3.680 2.877 2.745 3.053 . 0 0 "[ . 1 . 2]" 1
1731 1 64 GLU HB3 1 68 ARG QD . . 4.190 4.129 3.118 4.237 0.047 19 0 "[ . 1 . 2]" 1
1732 1 64 GLU QG 1 65 PHE H . . 5.170 4.429 4.169 4.565 . 0 0 "[ . 1 . 2]" 1
1733 1 64 GLU QG 1 68 ARG HE . . 5.340 3.843 3.450 4.574 . 0 0 "[ . 1 . 2]" 1
1734 1 65 PHE H 1 67 ARG QB . . 5.260 4.954 4.818 5.263 0.003 14 0 "[ . 1 . 2]" 1
1735 1 65 PHE H 1 69 LEU QD . . 5.440 4.878 4.634 5.486 0.046 14 0 "[ . 1 . 2]" 1
1736 1 65 PHE HB2 1 69 LEU QD . . 4.100 3.690 3.551 3.980 . 0 0 "[ . 1 . 2]" 1
1737 1 65 PHE HB3 1 69 LEU QD . . 4.280 2.442 2.233 3.003 . 0 0 "[ . 1 . 2]" 1
1738 1 65 PHE QD 1 68 ARG QB . . 4.800 4.118 3.430 4.876 0.076 18 0 "[ . 1 . 2]" 1
1739 1 65 PHE QD 1 69 LEU QD . . 5.020 3.772 3.476 4.516 . 0 0 "[ . 1 . 2]" 1
1740 1 66 HIS H 1 67 ARG QB . . 5.340 4.769 4.542 4.898 . 0 0 "[ . 1 . 2]" 1
1741 1 66 HIS HA 1 69 LEU QD . . 3.550 3.369 2.753 3.564 0.014 6 0 "[ . 1 . 2]" 1
1742 1 66 HIS QB 1 67 ARG QB . . 5.210 4.206 3.854 4.401 . 0 0 "[ . 1 . 2]" 1
1743 1 66 HIS HD2 1 67 ARG QG . . 4.850 3.671 3.071 4.824 . 0 0 "[ . 1 . 2]" 1
1744 1 66 HIS HD2 1 67 ARG QD . . 5.150 4.547 2.652 5.212 0.062 1 0 "[ . 1 . 2]" 1
1745 1 67 ARG H 1 67 ARG QB . . 3.080 2.228 2.033 2.355 . 0 0 "[ . 1 . 2]" 1
1746 1 67 ARG H 1 67 ARG QG . . 3.840 2.897 2.291 3.966 0.126 1 0 "[ . 1 . 2]" 1
1747 1 67 ARG H 1 67 ARG QD . . 4.170 3.576 2.272 4.243 0.073 19 0 "[ . 1 . 2]" 1
1748 1 67 ARG HA 1 67 ARG QG . . 3.390 2.267 2.165 2.350 . 0 0 "[ . 1 . 2]" 1
1749 1 67 ARG HA 1 70 LYS QG . . 3.980 3.363 2.124 3.945 . 0 0 "[ . 1 . 2]" 1
1750 1 67 ARG QB 1 67 ARG HE . . 4.410 2.287 1.744 3.143 . 0 0 "[ . 1 . 2]" 1
1751 1 67 ARG QB 1 68 ARG H . . 3.770 2.345 2.118 2.712 . 0 0 "[ . 1 . 2]" 1
1752 1 67 ARG QG 1 71 VAL QG . . 4.400 4.228 2.895 4.420 0.020 15 0 "[ . 1 . 2]" 1
1753 1 67 ARG QD 1 68 ARG H . . 5.340 4.457 2.508 5.224 . 0 0 "[ . 1 . 2]" 1
1754 1 68 ARG HA 1 68 ARG QG . . 3.350 2.714 2.177 3.307 . 0 0 "[ . 1 . 2]" 1
1755 1 68 ARG HA 1 68 ARG QD . . 4.730 4.236 3.950 4.546 . 0 0 "[ . 1 . 2]" 1
1756 1 68 ARG HA 1 71 VAL QG . . 3.200 2.934 2.012 3.220 0.020 2 0 "[ . 1 . 2]" 1
1757 1 68 ARG QB 1 72 TYR H . . 5.280 4.567 4.371 4.781 . 0 0 "[ . 1 . 2]" 1
1758 1 69 LEU H 1 69 LEU QD . . 3.640 2.592 2.203 3.545 . 0 0 "[ . 1 . 2]" 1
1759 1 69 LEU HA 1 69 LEU QD . . 2.900 1.931 1.894 2.074 . 0 0 "[ . 1 . 2]" 1
1760 1 69 LEU HA 1 72 TYR QB . . 3.750 2.342 2.101 2.661 . 0 0 "[ . 1 . 2]" 1
1761 1 69 LEU HB2 1 69 LEU QD . . 2.820 2.339 2.244 2.367 . 0 0 "[ . 1 . 2]" 1
1762 1 69 LEU QD 1 70 LYS H . . 4.130 3.819 3.736 3.975 . 0 0 "[ . 1 . 2]" 1
1763 1 69 LEU QD 1 72 TYR QD . . 3.730 2.503 2.011 2.824 . 0 0 "[ . 1 . 2]" 1
1764 1 69 LEU QD 1 72 TYR QE . . 4.770 3.736 3.092 4.107 . 0 0 "[ . 1 . 2]" 1
1765 1 69 LEU QD 1 73 HIS H . . 4.850 4.217 4.092 4.356 . 0 0 "[ . 1 . 2]" 1
1766 1 69 LEU QD 1 73 HIS HD2 . . 3.890 2.745 2.280 3.122 . 0 0 "[ . 1 . 2]" 1
1767 1 70 LYS H 1 71 VAL QG . . 4.450 4.135 4.002 4.370 . 0 0 "[ . 1 . 2]" 1
1768 1 70 LYS HA 1 70 LYS QG . . 3.460 2.786 2.374 3.402 . 0 0 "[ . 1 . 2]" 1
1769 1 70 LYS QB 1 71 VAL QG . . 4.760 3.413 2.880 4.773 0.013 20 0 "[ . 1 . 2]" 1
1770 1 70 LYS QG 1 71 VAL H . . 4.540 3.439 1.790 4.253 . 0 0 "[ . 1 . 2]" 1
1771 1 71 VAL H 1 71 VAL QG . . 2.620 2.114 1.852 2.525 . 0 0 "[ . 1 . 2]" 1
1772 1 71 VAL H 1 72 TYR QB . . 5.320 4.297 4.116 4.418 . 0 0 "[ . 1 . 2]" 1
1773 1 71 VAL HA 1 71 VAL QG . . 2.700 2.105 2.051 2.206 . 0 0 "[ . 1 . 2]" 1
1774 1 71 VAL QG 1 72 TYR H . . 3.300 2.924 1.747 3.288 . 0 0 "[ . 1 . 2]" 1
1775 1 71 VAL QG 1 72 TYR HA . . 3.860 3.366 2.863 3.673 . 0 0 "[ . 1 . 2]" 1
1776 1 71 VAL QG 1 73 HIS H . . 4.740 4.427 3.874 4.618 . 0 0 "[ . 1 . 2]" 1
1777 1 71 VAL QG 1 74 ALA H . . 4.470 4.164 3.939 4.295 . 0 0 "[ . 1 . 2]" 1
1778 1 71 VAL QG 1 74 ALA MB . . 3.980 3.202 3.068 3.330 . 0 0 "[ . 1 . 2]" 1
1779 1 71 VAL QG 1 75 TRP H . . 4.190 3.553 3.443 3.712 . 0 0 "[ . 1 . 2]" 1
1780 1 71 VAL QG 1 75 TRP HB2 . . 4.230 3.464 3.254 3.610 . 0 0 "[ . 1 . 2]" 1
1781 1 71 VAL QG 1 75 TRP HB3 . . 4.420 3.470 3.345 3.643 . 0 0 "[ . 1 . 2]" 1
1782 1 72 TYR QB 1 73 HIS H . . 3.540 2.723 2.657 2.946 . 0 0 "[ . 1 . 2]" 1
1783 1 72 TYR QE 1 76 LYS QG . . 4.080 4.014 3.345 4.105 0.025 17 0 "[ . 1 . 2]" 1
1784 1 75 TRP HA 1 78 LYS QB . . 4.050 2.659 2.517 2.912 . 0 0 "[ . 1 . 2]" 1
1785 1 75 TRP HA 1 78 LYS QD . . 4.220 3.677 2.774 4.224 0.004 16 0 "[ . 1 . 2]" 1
1786 1 75 TRP HD1 1 78 LYS QB . . 5.340 4.729 4.530 5.035 . 0 0 "[ . 1 . 2]" 1
1787 1 75 TRP HE3 1 76 LYS QG . . 4.700 4.190 3.901 4.549 . 0 0 "[ . 1 . 2]" 1
1788 1 75 TRP HZ3 1 76 LYS QG . . 4.190 3.615 3.139 4.200 0.010 2 0 "[ . 1 . 2]" 1
1789 1 76 LYS H 1 76 LYS QG . . 4.460 3.980 3.919 4.031 . 0 0 "[ . 1 . 2]" 1
1790 1 76 LYS HA 1 76 LYS QG . . 3.410 2.421 2.233 2.721 . 0 0 "[ . 1 . 2]" 1
1791 1 76 LYS HA 1 80 LYS QB . . 4.890 4.722 4.305 4.909 0.019 19 0 "[ . 1 . 2]" 1
1792 1 76 LYS QE 1 76 LYS QG . . 3.450 2.313 2.105 2.830 . 0 0 "[ . 1 . 2]" 1
1793 1 76 LYS QG 1 77 SER H . . 4.020 3.635 3.480 3.734 . 0 0 "[ . 1 . 2]" 1
1794 1 76 LYS QG 1 77 SER HA . . 4.040 3.674 3.479 3.816 . 0 0 "[ . 1 . 2]" 1
1795 1 77 SER H 1 78 LYS QB . . 4.460 4.464 4.277 4.487 0.027 4 0 "[ . 1 . 2]" 1
1796 1 77 SER HB3 1 78 LYS QB . . 4.370 4.369 3.990 4.422 0.052 6 0 "[ . 1 . 2]" 1
1797 1 78 LYS H 1 78 LYS QB . . 2.810 2.244 2.145 2.296 . 0 0 "[ . 1 . 2]" 1
1798 1 78 LYS H 1 78 LYS QG . . 3.720 2.749 2.510 3.737 0.017 5 0 "[ . 1 . 2]" 1
1799 1 78 LYS H 1 78 LYS QD . . 5.340 4.137 3.586 4.829 . 0 0 "[ . 1 . 2]" 1
1800 1 78 LYS HA 1 78 LYS QG . . 3.260 2.271 2.173 2.334 . 0 0 "[ . 1 . 2]" 1
1801 1 78 LYS QB 1 79 ASN H . . 3.380 2.849 2.722 3.134 . 0 0 "[ . 1 . 2]" 1
1802 1 78 LYS QB 1 79 ASN HD21 . . 3.980 2.669 2.371 3.187 . 0 0 "[ . 1 . 2]" 1
1803 1 78 LYS QB 1 79 ASN HD22 . . 4.650 3.271 2.954 3.596 . 0 0 "[ . 1 . 2]" 1
1804 1 78 LYS QE 1 78 LYS QG . . 3.440 2.239 2.127 2.460 . 0 0 "[ . 1 . 2]" 1
1805 1 78 LYS QG 1 79 ASN H . . 5.340 4.304 4.241 4.426 . 0 0 "[ . 1 . 2]" 1
1806 1 78 LYS QD 1 79 ASN H . . 5.340 5.128 4.792 5.355 0.015 19 0 "[ . 1 . 2]" 1
1807 1 78 LYS QD 1 79 ASN HD21 . . 4.790 4.541 4.152 4.790 . 16 0 "[ . 1 . 2]" 1
1808 1 78 LYS QD 1 79 ASN HD22 . . 5.030 4.616 4.252 5.032 0.002 17 0 "[ . 1 . 2]" 1
1809 1 80 LYS H 1 80 LYS QB . . 3.020 2.615 2.075 3.047 0.027 1 0 "[ . 1 . 2]" 1
1810 1 81 LYS H 1 81 LYS QB . . 2.670 2.251 2.171 2.495 . 0 0 "[ . 1 . 2]" 1
1811 1 81 LYS QB 1 82 ARG H . . 3.830 3.521 3.270 3.850 0.020 19 0 "[ . 1 . 2]" 1
1812 1 82 ARG H 1 82 ARG QB . . 3.440 2.668 2.341 3.239 . 0 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 84
_Distance_constraint_stats_list.Viol_count 840
_Distance_constraint_stats_list.Viol_total 1377.456
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0480
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0410
_Distance_constraint_stats_list.Viol_average_violations_only 0.0820
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 THR 2.881 0.114 12 0 "[ . 1 . 2]"
1 6 PRO 2.087 0.121 10 0 "[ . 1 . 2]"
1 7 GLU 1.802 0.106 1 0 "[ . 1 . 2]"
1 8 GLN 1.362 0.110 14 0 "[ . 1 . 2]"
1 9 MET 2.941 0.114 12 0 "[ . 1 . 2]"
1 10 ALA 2.464 0.121 10 0 "[ . 1 . 2]"
1 11 LYS 5.009 0.109 5 0 "[ . 1 . 2]"
1 12 GLU 3.863 0.148 2 0 "[ . 1 . 2]"
1 13 MET 3.465 0.130 19 0 "[ . 1 . 2]"
1 14 SER 3.588 0.113 16 0 "[ . 1 . 2]"
1 15 GLU 3.543 0.109 5 0 "[ . 1 . 2]"
1 16 PHE 3.767 0.148 2 0 "[ . 1 . 2]"
1 17 LEU 3.405 0.130 19 0 "[ . 1 . 2]"
1 18 SER 3.211 0.113 16 0 "[ . 1 . 2]"
1 19 ARG 0.336 0.095 10 0 "[ . 1 . 2]"
1 20 GLY 1.265 0.105 6 0 "[ . 1 . 2]"
1 37 LEU 0.199 0.060 17 0 "[ . 1 . 2]"
1 40 TRP 0.199 0.060 17 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TYR 3.139 0.134 18 0 "[ . 1 . 2]"
1 43 ALA 2.272 0.139 19 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 3.693 0.159 18 0 "[ . 1 . 2]"
1 46 ARG 5.979 0.156 14 0 "[ . 1 . 2]"
1 47 ASP 3.904 0.139 19 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 3.693 0.159 18 0 "[ . 1 . 2]"
1 50 ASN 2.840 0.156 14 0 "[ . 1 . 2]"
1 51 THR 1.632 0.106 19 0 "[ . 1 . 2]"
1 54 ASP 0.850 0.103 11 0 "[ . 1 . 2]"
1 55 ILE 0.007 0.007 19 0 "[ . 1 . 2]"
1 56 GLU 0.669 0.137 19 0 "[ . 1 . 2]"
1 57 LEU 3.519 0.137 12 0 "[ . 1 . 2]"
1 58 LEU 3.774 0.119 5 0 "[ . 1 . 2]"
1 59 ALA 0.212 0.117 19 0 "[ . 1 . 2]"
1 60 ALA 1.229 0.137 19 0 "[ . 1 . 2]"
1 61 CYS 7.147 0.139 12 0 "[ . 1 . 2]"
1 62 ARG 5.930 0.122 14 0 "[ . 1 . 2]"
1 63 GLU 2.168 0.117 19 0 "[ . 1 . 2]"
1 64 GLU 1.867 0.113 4 0 "[ . 1 . 2]"
1 65 PHE 3.772 0.139 12 0 "[ . 1 . 2]"
1 66 HIS 4.908 0.122 14 0 "[ . 1 . 2]"
1 67 ARG 5.067 0.145 19 0 "[ . 1 . 2]"
1 68 ARG 2.573 0.160 14 0 "[ . 1 . 2]"
1 69 LEU 0.144 0.093 4 0 "[ . 1 . 2]"
1 70 LYS 3.809 0.119 15 0 "[ . 1 . 2]"
1 71 VAL 3.103 0.145 19 0 "[ . 1 . 2]"
1 72 TYR 3.285 0.160 14 0 "[ . 1 . 2]"
1 73 HIS 1.913 0.118 10 0 "[ . 1 . 2]"
1 74 ALA 3.291 0.119 15 0 "[ . 1 . 2]"
1 75 TRP 0.326 0.105 12 0 "[ . 1 . 2]"
1 76 LYS 2.018 0.133 19 0 "[ . 1 . 2]"
1 77 SER 1.913 0.118 10 0 "[ . 1 . 2]"
1 78 LYS 1.385 0.101 14 0 "[ . 1 . 2]"
1 79 ASN 0.326 0.105 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 THR O 1 9 MET H . . 2.000 2.083 2.014 2.114 0.114 12 0 "[ . 1 . 2]" 2
2 1 5 THR O 1 9 MET N . . 3.000 3.060 2.982 3.094 0.094 12 0 "[ . 1 . 2]" 2
3 1 6 PRO O 1 10 ALA H . . 2.000 2.104 2.092 2.121 0.121 10 0 "[ . 1 . 2]" 2
4 1 6 PRO O 1 10 ALA N . . 3.000 2.961 2.933 2.997 . 0 0 "[ . 1 . 2]" 2
5 1 7 GLU O 1 11 LYS H . . 2.000 2.087 1.944 2.106 0.106 1 0 "[ . 1 . 2]" 2
6 1 7 GLU O 1 11 LYS N . . 3.000 2.940 2.875 2.982 . 0 0 "[ . 1 . 2]" 2
7 1 8 GLN O 1 12 GLU H . . 2.000 2.034 1.922 2.110 0.110 14 0 "[ . 1 . 2]" 2
8 1 8 GLN O 1 12 GLU N . . 3.000 2.999 2.882 3.068 0.068 4 0 "[ . 1 . 2]" 2
9 1 9 MET O 1 13 MET H . . 2.000 1.889 1.804 2.056 0.056 14 0 "[ . 1 . 2]" 2
10 1 9 MET O 1 13 MET N . . 3.000 2.793 2.722 3.004 0.004 14 0 "[ . 1 . 2]" 2
11 1 10 ALA O 1 14 SER H . . 2.000 1.939 1.799 2.091 0.091 1 0 "[ . 1 . 2]" 2
12 1 10 ALA O 1 14 SER N . . 3.000 2.875 2.710 3.039 0.039 1 0 "[ . 1 . 2]" 2
13 1 11 LYS O 1 15 GLU H . . 2.000 2.100 2.043 2.109 0.109 5 0 "[ . 1 . 2]" 2
14 1 11 LYS O 1 15 GLU N . . 3.000 3.060 2.995 3.080 0.080 12 0 "[ . 1 . 2]" 2
15 1 12 GLU O 1 16 PHE H . . 2.000 2.121 1.953 2.148 0.148 2 0 "[ . 1 . 2]" 2
16 1 12 GLU O 1 16 PHE N . . 3.000 2.991 2.919 3.009 0.009 16 0 "[ . 1 . 2]" 2
17 1 13 MET O 1 17 LEU H . . 2.000 2.113 2.087 2.130 0.130 19 0 "[ . 1 . 2]" 2
18 1 13 MET O 1 17 LEU N . . 3.000 3.057 3.008 3.077 0.077 19 0 "[ . 1 . 2]" 2
19 1 14 SER O 1 18 SER H . . 2.000 2.100 2.019 2.113 0.113 16 0 "[ . 1 . 2]" 2
20 1 14 SER O 1 18 SER N . . 3.000 3.057 2.943 3.091 0.091 16 0 "[ . 1 . 2]" 2
21 1 15 GLU O 1 19 ARG H . . 2.000 1.927 1.789 2.095 0.095 10 0 "[ . 1 . 2]" 2
22 1 15 GLU O 1 19 ARG N . . 3.000 2.796 2.701 3.012 0.012 10 0 "[ . 1 . 2]" 2
23 1 16 PHE O 1 20 GLY H . . 2.000 2.034 1.872 2.105 0.105 6 0 "[ . 1 . 2]" 2
24 1 16 PHE O 1 20 GLY N . . 3.000 2.928 2.693 3.059 0.059 6 0 "[ . 1 . 2]" 2
25 1 37 LEU O 1 40 TRP H . . 2.000 1.904 1.803 2.060 0.060 17 0 "[ . 1 . 2]" 2
26 1 37 LEU O 1 40 TRP N . . 3.000 2.844 2.754 2.984 . 0 0 "[ . 1 . 2]" 2
27 1 41 LYS O 1 45 LEU H . . 2.000 1.810 1.786 1.857 . 0 0 "[ . 1 . 2]" 2
28 1 41 LYS O 1 45 LEU N . . 3.000 2.776 2.752 2.823 . 0 0 "[ . 1 . 2]" 2
29 1 42 TYR O 1 46 ARG H . . 2.000 2.115 2.091 2.134 0.134 18 0 "[ . 1 . 2]" 2
30 1 42 TYR O 1 46 ARG N . . 3.000 3.042 3.012 3.109 0.109 18 0 "[ . 1 . 2]" 2
31 1 43 ALA O 1 47 ASP H . . 2.000 2.112 2.100 2.139 0.139 19 0 "[ . 1 . 2]" 2
32 1 43 ALA O 1 47 ASP N . . 3.000 2.953 2.930 3.023 0.023 19 0 "[ . 1 . 2]" 2
33 1 44 GLU O 1 48 THR H . . 2.000 1.805 1.791 1.928 . 0 0 "[ . 1 . 2]" 2
34 1 44 GLU O 1 48 THR N . . 3.000 2.767 2.743 2.877 . 0 0 "[ . 1 . 2]" 2
35 1 45 LEU O 1 49 ILE H . . 2.000 2.112 2.028 2.159 0.159 18 0 "[ . 1 . 2]" 2
36 1 45 LEU O 1 49 ILE N . . 3.000 3.072 2.985 3.129 0.129 18 0 "[ . 1 . 2]" 2
37 1 46 ARG O 1 50 ASN H . . 2.000 2.142 2.132 2.156 0.156 14 0 "[ . 1 . 2]" 2
38 1 46 ARG O 1 50 ASN N . . 3.000 2.929 2.894 2.977 . 0 0 "[ . 1 . 2]" 2
39 1 47 ASP O 1 51 THR H . . 2.000 2.080 1.964 2.106 0.106 19 0 "[ . 1 . 2]" 2
40 1 47 ASP O 1 51 THR N . . 3.000 2.834 2.707 2.894 . 0 0 "[ . 1 . 2]" 2
41 1 54 ASP O 1 58 LEU H . . 2.000 1.893 1.760 2.103 0.103 11 0 "[ . 1 . 2]" 2
42 1 54 ASP O 1 58 LEU N . . 3.000 2.837 2.712 3.028 0.028 11 0 "[ . 1 . 2]" 2
43 1 55 ILE O 1 59 ALA H . . 2.000 1.917 1.759 2.007 0.007 19 0 "[ . 1 . 2]" 2
44 1 55 ILE O 1 59 ALA N . . 3.000 2.879 2.696 2.927 . 0 0 "[ . 1 . 2]" 2
45 1 56 GLU O 1 60 ALA H . . 2.000 2.003 1.876 2.137 0.137 19 0 "[ . 1 . 2]" 2
46 1 56 GLU O 1 60 ALA N . . 3.000 2.929 2.831 3.013 0.013 15 0 "[ . 1 . 2]" 2
47 1 57 LEU O 1 61 CYS H . . 2.000 2.105 1.802 2.137 0.137 12 0 "[ . 1 . 2]" 2
48 1 57 LEU O 1 61 CYS N . . 3.000 3.047 2.703 3.083 0.083 11 0 "[ . 1 . 2]" 2
49 1 58 LEU O 1 62 ARG H . . 2.000 2.084 1.952 2.119 0.119 5 0 "[ . 1 . 2]" 2
50 1 58 LEU O 1 62 ARG N . . 3.000 3.053 2.930 3.093 0.093 5 0 "[ . 1 . 2]" 2
51 1 59 ALA O 1 63 GLU H . . 2.000 1.905 1.796 2.117 0.117 19 0 "[ . 1 . 2]" 2
52 1 59 ALA O 1 63 GLU N . . 3.000 2.847 2.754 3.011 0.011 19 0 "[ . 1 . 2]" 2
53 1 60 ALA O 1 64 GLU H . . 2.000 1.998 1.876 2.099 0.099 10 0 "[ . 1 . 2]" 2
54 1 60 ALA O 1 64 GLU N . . 3.000 2.940 2.815 3.030 0.030 10 0 "[ . 1 . 2]" 2
55 1 61 CYS O 1 65 PHE H . . 2.000 2.118 2.099 2.139 0.139 12 0 "[ . 1 . 2]" 2
56 1 61 CYS O 1 65 PHE N . . 3.000 3.063 3.014 3.084 0.084 12 0 "[ . 1 . 2]" 2
57 1 62 ARG O 1 66 HIS H . . 2.000 2.091 2.029 2.122 0.122 14 0 "[ . 1 . 2]" 2
58 1 62 ARG O 1 66 HIS N . . 3.000 3.059 2.995 3.083 0.083 18 0 "[ . 1 . 2]" 2
59 1 63 GLU O 1 67 ARG H . . 2.000 2.046 1.879 2.114 0.114 12 0 "[ . 1 . 2]" 2
60 1 63 GLU O 1 67 ARG N . . 3.000 2.999 2.852 3.079 0.079 12 0 "[ . 1 . 2]" 2
61 1 64 GLU O 1 68 ARG H . . 2.000 2.039 1.923 2.113 0.113 4 0 "[ . 1 . 2]" 2
62 1 64 GLU O 1 68 ARG N . . 3.000 2.991 2.864 3.069 0.069 12 0 "[ . 1 . 2]" 2
63 1 65 PHE O 1 69 LEU H . . 2.000 1.879 1.761 2.093 0.093 4 0 "[ . 1 . 2]" 2
64 1 65 PHE O 1 69 LEU N . . 3.000 2.706 2.672 2.847 . 0 0 "[ . 1 . 2]" 2
65 1 66 HIS O 1 70 LYS H . . 2.000 2.055 1.932 2.103 0.103 7 0 "[ . 1 . 2]" 2
66 1 66 HIS O 1 70 LYS N . . 3.000 3.017 2.888 3.083 0.083 7 0 "[ . 1 . 2]" 2
67 1 67 ARG O 1 71 VAL H . . 2.000 2.097 1.989 2.145 0.145 19 0 "[ . 1 . 2]" 2
68 1 67 ARG O 1 71 VAL N . . 3.000 3.054 2.962 3.127 0.127 19 0 "[ . 1 . 2]" 2
69 1 68 ARG O 1 72 TYR H . . 2.000 2.012 1.807 2.160 0.160 14 0 "[ . 1 . 2]" 2
70 1 68 ARG O 1 72 TYR N . . 3.000 2.842 2.697 2.996 . 0 0 "[ . 1 . 2]" 2
71 1 69 LEU O 1 73 HIS H . . 2.000 1.825 1.790 1.944 . 0 0 "[ . 1 . 2]" 2
72 1 69 LEU O 1 73 HIS N . . 3.000 2.731 2.701 2.864 . 0 0 "[ . 1 . 2]" 2
73 1 70 LYS O 1 74 ALA H . . 2.000 2.095 2.045 2.119 0.119 15 0 "[ . 1 . 2]" 2
74 1 70 LYS O 1 74 ALA N . . 3.000 2.900 2.827 2.982 . 0 0 "[ . 1 . 2]" 2
75 1 71 VAL O 1 75 TRP H . . 2.000 1.816 1.783 1.914 . 0 0 "[ . 1 . 2]" 2
76 1 71 VAL O 1 75 TRP N . . 3.000 2.787 2.754 2.883 . 0 0 "[ . 1 . 2]" 2
77 1 72 TYR O 1 76 LYS H . . 2.000 2.101 2.053 2.133 0.133 19 0 "[ . 1 . 2]" 2
78 1 72 TYR O 1 76 LYS N . . 3.000 2.952 2.879 3.002 0.002 19 0 "[ . 1 . 2]" 2
79 1 73 HIS O 1 77 SER H . . 2.000 2.078 1.821 2.118 0.118 10 0 "[ . 1 . 2]" 2
80 1 73 HIS O 1 77 SER N . . 3.000 2.923 2.713 3.011 0.011 5 0 "[ . 1 . 2]" 2
81 1 74 ALA O 1 78 LYS H . . 2.000 2.063 1.935 2.101 0.101 14 0 "[ . 1 . 2]" 2
82 1 74 ALA O 1 78 LYS N . . 3.000 2.916 2.768 2.996 . 0 0 "[ . 1 . 2]" 2
83 1 75 TRP O 1 79 ASN H . . 2.000 1.941 1.838 2.105 0.105 12 0 "[ . 1 . 2]" 2
84 1 75 TRP O 1 79 ASN N . . 3.000 2.723 2.689 2.919 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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