NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
451991 |
2rq1   |
11065 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rq1
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 1543
_Distance_constraint_stats_list.Viol_count 1378
_Distance_constraint_stats_list.Viol_total 460.629
_Distance_constraint_stats_list.Viol_max 0.097
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 0.001 0.001 2 0 "[ . 1 . 2]"
1 5 ASP 0.003 0.003 17 0 "[ . 1 . 2]"
1 6 PRO 0.004 0.002 14 0 "[ . 1 . 2]"
1 7 ALA 0.140 0.017 10 0 "[ . 1 . 2]"
1 8 GLN 0.032 0.008 8 0 "[ . 1 . 2]"
1 9 LEU 0.182 0.017 10 0 "[ . 1 . 2]"
1 10 THR 0.318 0.022 11 0 "[ . 1 . 2]"
1 11 GLU 0.793 0.051 17 0 "[ . 1 . 2]"
1 12 ASP 0.005 0.005 16 0 "[ . 1 . 2]"
1 13 ILE 0.964 0.044 18 0 "[ . 1 . 2]"
1 14 THR 3.740 0.097 18 0 "[ . 1 . 2]"
1 15 ARG 2.063 0.097 18 0 "[ . 1 . 2]"
1 16 TYR 0.192 0.021 5 0 "[ . 1 . 2]"
1 17 TYR 0.015 0.003 2 0 "[ . 1 . 2]"
1 18 LEU 0.649 0.026 1 0 "[ . 1 . 2]"
1 19 CYS 0.282 0.026 1 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.297 0.018 9 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLN 0.038 0.012 19 0 "[ . 1 . 2]"
1 25 ASP 0.032 0.006 1 0 "[ . 1 . 2]"
1 26 ILE 0.024 0.005 6 0 "[ . 1 . 2]"
1 27 VAL 0.024 0.008 15 0 "[ . 1 . 2]"
1 28 ALA 0.028 0.008 10 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.002 0.002 18 0 "[ . 1 . 2]"
1 31 LEU 0.062 0.009 20 0 "[ . 1 . 2]"
1 32 PRO 0.030 0.009 20 0 "[ . 1 . 2]"
1 33 CYS 0.179 0.014 7 0 "[ . 1 . 2]"
1 34 SER 0.093 0.010 8 0 "[ . 1 . 2]"
1 35 PHE 0.411 0.024 18 0 "[ . 1 . 2]"
1 36 ALA 0.728 0.043 19 0 "[ . 1 . 2]"
1 37 THR 0.765 0.040 1 0 "[ . 1 . 2]"
1 38 LEU 0.474 0.028 16 0 "[ . 1 . 2]"
1 39 ALA 0.981 0.040 1 0 "[ . 1 . 2]"
1 40 LEU 0.727 0.043 19 0 "[ . 1 . 2]"
1 41 LEU 0.109 0.012 20 0 "[ . 1 . 2]"
1 42 GLY 0.015 0.011 19 0 "[ . 1 . 2]"
1 43 SER 0.077 0.012 13 0 "[ . 1 . 2]"
1 44 TYR 0.116 0.012 13 0 "[ . 1 . 2]"
1 45 THR 0.401 0.028 14 0 "[ . 1 . 2]"
1 46 ILE 0.660 0.050 16 0 "[ . 1 . 2]"
1 47 GLN 0.597 0.044 10 0 "[ . 1 . 2]"
1 48 SER 0.420 0.028 14 0 "[ . 1 . 2]"
1 49 GLU 2.544 0.092 14 0 "[ . 1 . 2]"
1 50 LEU 3.978 0.092 14 0 "[ . 1 . 2]"
1 51 GLY 1.124 0.059 14 0 "[ . 1 . 2]"
1 52 ASP 0.457 0.059 14 0 "[ . 1 . 2]"
1 53 TYR 0.075 0.010 20 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PRO 0.014 0.007 13 0 "[ . 1 . 2]"
1 56 GLU 0.083 0.009 7 0 "[ . 1 . 2]"
1 57 LEU 0.090 0.009 7 0 "[ . 1 . 2]"
1 58 HIS 0.140 0.032 3 0 "[ . 1 . 2]"
1 59 GLY 0.392 0.078 5 0 "[ . 1 . 2]"
1 60 VAL 0.326 0.078 5 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TYR 0.851 0.027 1 0 "[ . 1 . 2]"
1 63 VAL 0.213 0.027 10 0 "[ . 1 . 2]"
1 64 SER 0.032 0.011 9 0 "[ . 1 . 2]"
1 65 ASP 0.005 0.005 8 0 "[ . 1 . 2]"
1 66 PHE 0.051 0.010 1 0 "[ . 1 . 2]"
1 67 LYS 0.039 0.010 1 0 "[ . 1 . 2]"
1 68 LEU 0.141 0.027 10 0 "[ . 1 . 2]"
1 69 ALA 0.114 0.014 7 0 "[ . 1 . 2]"
1 70 PRO 0.036 0.006 10 0 "[ . 1 . 2]"
1 71 ASN 0.097 0.012 8 0 "[ . 1 . 2]"
1 72 GLN 0.349 0.014 8 0 "[ . 1 . 2]"
1 73 THR 0.922 0.064 19 0 "[ . 1 . 2]"
1 74 LYS 0.131 0.031 4 0 "[ . 1 . 2]"
1 75 GLU 0.739 0.064 19 0 "[ . 1 . 2]"
1 76 LEU 0.962 0.037 15 0 "[ . 1 . 2]"
1 77 GLU 0.032 0.008 4 0 "[ . 1 . 2]"
1 78 GLU 0.329 0.023 15 0 "[ . 1 . 2]"
1 79 LYS 0.033 0.011 13 0 "[ . 1 . 2]"
1 80 VAL 0.027 0.006 14 0 "[ . 1 . 2]"
1 81 MET 0.142 0.013 19 0 "[ . 1 . 2]"
1 82 GLU 0.022 0.012 11 0 "[ . 1 . 2]"
1 83 LEU 0.086 0.013 1 0 "[ . 1 . 2]"
1 84 HIS 0.111 0.013 1 0 "[ . 1 . 2]"
1 85 LYS 0.029 0.012 11 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 TYR 0.230 0.034 4 0 "[ . 1 . 2]"
1 88 ARG 0.315 0.052 17 0 "[ . 1 . 2]"
1 89 SER 0.264 0.034 18 0 "[ . 1 . 2]"
1 90 MET 0.359 0.052 17 0 "[ . 1 . 2]"
1 91 THR 0.350 0.035 17 0 "[ . 1 . 2]"
1 92 PRO 0.204 0.036 10 0 "[ . 1 . 2]"
1 93 ALA 0.695 0.036 10 0 "[ . 1 . 2]"
1 94 GLN 0.140 0.016 12 0 "[ . 1 . 2]"
1 95 ALA 0.311 0.017 16 0 "[ . 1 . 2]"
1 96 ASP 1.408 0.097 16 0 "[ . 1 . 2]"
1 97 LEU 0.176 0.016 12 0 "[ . 1 . 2]"
1 98 GLU 0.111 0.028 20 0 "[ . 1 . 2]"
1 99 PHE 1.627 0.097 16 0 "[ . 1 . 2]"
1 100 LEU 0.255 0.018 12 0 "[ . 1 . 2]"
1 101 GLU 1.317 0.053 19 0 "[ . 1 . 2]"
1 102 ASN 0.919 0.053 19 0 "[ . 1 . 2]"
1 103 ALA 0.349 0.024 14 0 "[ . 1 . 2]"
1 104 LYS 0.070 0.019 2 0 "[ . 1 . 2]"
1 105 LYS 0.374 0.046 17 0 "[ . 1 . 2]"
1 106 LEU 2.185 0.084 15 0 "[ . 1 . 2]"
1 107 SER 0.020 0.010 18 0 "[ . 1 . 2]"
1 108 MET 0.083 0.012 20 0 "[ . 1 . 2]"
1 109 TYR 0.151 0.013 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 89 SER H 1 90 MET H 3.850 . 3.850 2.923 1.876 3.868 0.018 10 0 "[ . 1 . 2]" 1
2 1 89 SER HA 1 90 MET H 3.560 . 3.560 2.702 2.394 3.236 . 0 0 "[ . 1 . 2]" 1
3 1 90 MET H 1 90 MET HB2 3.640 . 3.640 2.761 2.385 3.090 . 0 0 "[ . 1 . 2]" 1
4 1 90 MET H 1 90 MET HB3 3.640 . 3.640 2.580 2.421 2.686 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET HA 1 5 ASP H 3.020 . 3.020 2.309 2.139 2.646 . 0 0 "[ . 1 . 2]" 1
6 1 5 ASP H 1 5 ASP HB2 3.890 . 3.890 2.407 2.082 2.739 . 0 0 "[ . 1 . 2]" 1
7 1 5 ASP H 1 5 ASP HB3 3.890 . 3.890 3.444 2.868 3.723 . 0 0 "[ . 1 . 2]" 1
8 1 44 TYR H 1 45 THR H 3.810 . 3.810 2.555 2.512 2.590 . 0 0 "[ . 1 . 2]" 1
9 1 44 TYR H 1 44 TYR QD 3.770 . 3.770 3.322 3.197 3.413 . 0 0 "[ . 1 . 2]" 1
10 1 98 GLU H 1 99 PHE H 3.710 . 3.710 2.880 2.753 2.927 . 0 0 "[ . 1 . 2]" 1
11 1 99 PHE H 1 99 PHE HB3 3.870 . 3.870 2.370 2.321 2.415 . 0 0 "[ . 1 . 2]" 1
12 1 99 PHE H 1 99 PHE HB2 3.870 . 3.870 2.764 2.706 2.866 . 0 0 "[ . 1 . 2]" 1
13 1 98 GLU QB 1 99 PHE H 3.830 . 3.830 2.517 2.361 3.353 . 0 0 "[ . 1 . 2]" 1
14 1 94 GLN H 1 95 ALA H 3.530 . 3.530 2.753 2.715 2.822 . 0 0 "[ . 1 . 2]" 1
15 1 71 ASN HA 1 72 GLN H 3.320 . 3.320 2.452 2.390 2.512 . 0 0 "[ . 1 . 2]" 1
16 1 90 MET HG2 1 95 ALA H 5.240 . 5.240 3.543 3.189 3.830 . 0 0 "[ . 1 . 2]" 1
17 1 94 GLN QG 1 95 ALA H 5.380 . 5.380 4.332 3.953 4.460 . 0 0 "[ . 1 . 2]" 1
18 1 72 GLN H 1 72 GLN HB3 3.710 . 3.710 2.699 2.559 2.889 . 0 0 "[ . 1 . 2]" 1
19 1 72 GLN H 1 72 GLN HB2 3.710 . 3.710 2.407 2.249 2.512 . 0 0 "[ . 1 . 2]" 1
20 1 95 ALA H 1 95 ALA MB 3.310 . 3.310 2.140 2.076 2.242 . 0 0 "[ . 1 . 2]" 1
21 1 67 LYS HA 1 68 LEU H 3.200 . 3.200 2.225 2.176 2.315 . 0 0 "[ . 1 . 2]" 1
22 1 68 LEU H 1 68 LEU HG 3.930 . 3.930 2.074 1.953 2.635 . 0 0 "[ . 1 . 2]" 1
23 1 87 TYR H 1 87 TYR QD 3.920 . 3.920 3.276 3.062 3.402 . 0 0 "[ . 1 . 2]" 1
24 1 17 TYR H 1 18 LEU H 3.580 . 3.580 2.640 2.580 2.732 . 0 0 "[ . 1 . 2]" 1
25 1 18 LEU H 1 19 CYS H 3.880 . 3.880 2.777 2.687 2.959 . 0 0 "[ . 1 . 2]" 1
26 1 18 LEU H 1 18 LEU HB2 3.930 . 3.930 2.123 2.069 2.181 . 0 0 "[ . 1 . 2]" 1
27 1 18 LEU H 1 18 LEU HB3 3.930 . 3.930 3.001 2.924 3.079 . 0 0 "[ . 1 . 2]" 1
28 1 38 LEU H 1 39 ALA H 3.770 . 3.770 2.757 2.694 2.844 . 0 0 "[ . 1 . 2]" 1
29 1 26 ILE H 1 27 VAL H 3.820 . 3.820 2.792 2.733 2.883 . 0 0 "[ . 1 . 2]" 1
30 1 37 THR HB 1 38 LEU H 3.890 . 3.890 2.627 2.506 2.697 . 0 0 "[ . 1 . 2]" 1
31 1 35 PHE HA 1 38 LEU H 4.100 . 4.100 3.504 3.387 3.664 . 0 0 "[ . 1 . 2]" 1
32 1 100 LEU HA 1 103 ALA H 4.410 . 4.410 3.590 3.538 3.647 . 0 0 "[ . 1 . 2]" 1
33 1 26 ILE H 1 26 ILE HB 3.360 . 3.360 2.591 2.535 2.621 . 0 0 "[ . 1 . 2]" 1
34 1 38 LEU H 1 38 LEU HB2 3.660 . 3.660 2.311 2.254 2.391 . 0 0 "[ . 1 . 2]" 1
35 1 26 ILE H 1 26 ILE MD 3.500 . 3.500 3.132 3.071 3.262 . 0 0 "[ . 1 . 2]" 1
36 1 38 LEU H 1 38 LEU MD2 3.770 . 3.770 3.529 3.327 3.735 . 0 0 "[ . 1 . 2]" 1
37 1 66 PHE HA 1 67 LYS H 2.970 . 2.970 2.148 2.131 2.238 . 0 0 "[ . 1 . 2]" 1
38 1 66 PHE HB3 1 67 LYS H 4.320 . 4.320 3.350 2.879 3.496 . 0 0 "[ . 1 . 2]" 1
39 1 90 MET HA 1 91 THR H 3.120 . 3.120 2.273 2.181 2.352 . 0 0 "[ . 1 . 2]" 1
40 1 90 MET HG2 1 91 THR H 4.720 . 4.720 2.903 1.986 3.975 . 0 0 "[ . 1 . 2]" 1
41 1 91 THR H 1 94 GLN QG 5.320 . 5.320 3.479 1.979 4.191 . 0 0 "[ . 1 . 2]" 1
42 1 91 THR H 1 91 THR MG 3.290 . 3.290 2.841 2.341 3.292 0.002 15 0 "[ . 1 . 2]" 1
43 1 13 ILE H 1 13 ILE HB 3.520 . 3.520 2.554 2.433 2.594 . 0 0 "[ . 1 . 2]" 1
44 1 103 ALA H 1 104 LYS H 3.660 . 3.660 2.660 2.627 2.682 . 0 0 "[ . 1 . 2]" 1
45 1 103 ALA H 1 103 ALA MB 3.150 . 3.150 2.196 2.085 2.241 . 0 0 "[ . 1 . 2]" 1
46 1 35 PHE H 1 35 PHE HB2 3.970 . 3.970 2.598 2.571 2.639 . 0 0 "[ . 1 . 2]" 1
47 1 25 ASP H 1 26 ILE H 3.630 . 3.630 2.590 2.537 2.648 . 0 0 "[ . 1 . 2]" 1
48 1 7 ALA H 1 8 GLN H 3.290 . 3.290 2.534 2.172 2.863 . 0 0 "[ . 1 . 2]" 1
49 1 24 GLN H 1 25 ASP H 3.540 . 3.540 2.545 2.503 2.598 . 0 0 "[ . 1 . 2]" 1
50 1 5 ASP HA 1 7 ALA H 4.120 . 4.120 3.661 3.356 4.123 0.003 17 0 "[ . 1 . 2]" 1
51 1 6 PRO HA 1 7 ALA H 3.510 . 3.510 3.439 3.355 3.512 0.002 14 0 "[ . 1 . 2]" 1
52 1 22 LEU HA 1 25 ASP H 3.880 . 3.880 3.569 3.476 3.704 . 0 0 "[ . 1 . 2]" 1
53 1 6 PRO QG 1 7 ALA H 3.590 . 3.590 2.779 2.374 3.128 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 7 ALA MB 2.870 . 2.870 2.238 2.042 2.396 . 0 0 "[ . 1 . 2]" 1
55 1 73 THR HB 1 74 LYS H 3.780 . 3.780 3.125 2.418 3.781 0.001 3 0 "[ . 1 . 2]" 1
56 1 73 THR HA 1 74 LYS H 3.140 . 3.140 2.402 2.284 2.479 . 0 0 "[ . 1 . 2]" 1
57 1 74 LYS H 1 74 LYS QG 3.890 . 3.890 2.667 2.003 3.919 0.029 9 0 "[ . 1 . 2]" 1
58 1 8 GLN HA 1 9 LEU H 3.460 . 3.460 2.965 2.468 3.454 . 0 0 "[ . 1 . 2]" 1
59 1 9 LEU H 1 9 LEU HG 4.220 . 4.220 2.638 1.992 4.110 . 0 0 "[ . 1 . 2]" 1
60 1 52 ASP HA 1 53 TYR H 3.490 . 3.490 2.411 2.206 2.640 . 0 0 "[ . 1 . 2]" 1
61 1 45 THR H 1 45 THR HB 3.560 . 3.560 2.563 2.158 2.679 . 0 0 "[ . 1 . 2]" 1
62 1 14 THR HB 1 15 ARG H 3.800 3.800 3.800 3.732 3.703 3.749 0.097 18 0 "[ . 1 . 2]" 1
63 1 15 ARG H 1 15 ARG HB2 3.730 . 3.730 2.278 2.029 3.519 . 0 0 "[ . 1 . 2]" 1
64 1 15 ARG H 1 15 ARG HB3 3.730 . 3.730 2.851 2.243 3.202 . 0 0 "[ . 1 . 2]" 1
65 1 88 ARG HA 1 89 SER H 3.300 . 3.300 2.765 2.148 3.334 0.034 18 0 "[ . 1 . 2]" 1
66 1 76 LEU H 1 77 GLU H 3.770 . 3.770 2.651 2.552 2.729 . 0 0 "[ . 1 . 2]" 1
67 1 76 LEU H 1 76 LEU HB3 3.620 . 3.620 2.400 2.365 2.429 . 0 0 "[ . 1 . 2]" 1
68 1 76 LEU H 1 76 LEU HB2 3.620 . 3.620 2.618 2.586 2.672 . 0 0 "[ . 1 . 2]" 1
69 1 26 ILE HB 1 27 VAL H 3.220 . 3.220 2.358 2.296 2.449 . 0 0 "[ . 1 . 2]" 1
70 1 26 ILE MG 1 27 VAL H 3.920 . 3.920 3.307 3.151 3.460 . 0 0 "[ . 1 . 2]" 1
71 1 27 VAL H 1 27 VAL MG1 3.420 . 3.420 2.185 2.066 2.401 . 0 0 "[ . 1 . 2]" 1
72 1 47 GLN H 1 48 SER H 3.850 . 3.850 2.710 2.687 2.749 . 0 0 "[ . 1 . 2]" 1
73 1 47 GLN H 1 47 GLN QG 4.100 . 4.100 3.895 3.626 4.009 . 0 0 "[ . 1 . 2]" 1
74 1 47 GLN H 1 47 GLN QB 3.790 . 3.790 2.190 2.065 2.245 . 0 0 "[ . 1 . 2]" 1
75 1 46 ILE HB 1 47 GLN H 3.810 . 3.810 2.442 2.402 2.503 . 0 0 "[ . 1 . 2]" 1
76 1 78 GLU H 1 79 LYS H 3.720 . 3.720 2.863 2.803 2.916 . 0 0 "[ . 1 . 2]" 1
77 1 79 LYS H 1 80 VAL H 3.540 . 3.540 2.746 2.712 2.777 . 0 0 "[ . 1 . 2]" 1
78 1 78 GLU HB2 1 79 LYS H 3.250 . 3.250 2.474 2.379 2.580 . 0 0 "[ . 1 . 2]" 1
79 1 79 LYS H 1 79 LYS QB 3.480 . 3.480 2.106 2.041 2.195 . 0 0 "[ . 1 . 2]" 1
80 1 108 MET H 1 109 TYR H 3.360 . 3.360 2.458 1.988 2.748 . 0 0 "[ . 1 . 2]" 1
81 1 109 TYR H 1 109 TYR QD 3.820 . 3.820 2.169 1.946 3.083 . 0 0 "[ . 1 . 2]" 1
82 1 107 SER HA 1 109 TYR H 3.780 . 3.780 3.360 3.052 3.705 . 0 0 "[ . 1 . 2]" 1
83 1 109 TYR H 1 109 TYR QB 3.780 . 3.780 2.797 2.175 3.183 . 0 0 "[ . 1 . 2]" 1
84 1 101 GLU H 1 101 GLU HB3 3.690 . 3.690 2.849 2.433 3.572 . 0 0 "[ . 1 . 2]" 1
85 1 101 GLU H 1 101 GLU HB2 3.690 . 3.690 2.496 2.305 2.594 . 0 0 "[ . 1 . 2]" 1
86 1 36 ALA HA 1 39 ALA H 4.080 . 4.080 3.670 3.636 3.698 . 0 0 "[ . 1 . 2]" 1
87 1 39 ALA H 1 39 ALA MB 3.100 . 3.100 2.030 2.002 2.055 . 0 0 "[ . 1 . 2]" 1
88 1 39 ALA H 1 76 LEU MD1 3.900 . 3.900 2.862 2.742 3.015 . 0 0 "[ . 1 . 2]" 1
89 1 96 ASP H 1 97 LEU H 3.660 . 3.660 2.677 2.577 2.721 . 0 0 "[ . 1 . 2]" 1
90 1 97 LEU H 1 98 GLU H 3.770 . 3.770 2.504 2.473 2.615 . 0 0 "[ . 1 . 2]" 1
91 1 97 LEU H 1 97 LEU HB2 3.490 . 3.490 2.318 2.071 2.418 . 0 0 "[ . 1 . 2]" 1
92 1 97 LEU H 1 97 LEU HB3 3.490 . 3.490 2.753 2.621 3.164 . 0 0 "[ . 1 . 2]" 1
93 1 97 LEU H 1 97 LEU MD1 4.330 . 4.330 3.778 3.062 3.969 . 0 0 "[ . 1 . 2]" 1
94 1 97 LEU H 1 97 LEU MD2 4.820 . 4.820 4.199 4.062 4.272 . 0 0 "[ . 1 . 2]" 1
95 1 60 VAL MG1 1 61 ASP H 4.240 . 4.240 3.357 1.900 4.084 . 0 0 "[ . 1 . 2]" 1
96 1 60 VAL MG2 1 61 ASP H 4.560 . 4.560 3.270 1.924 4.199 . 0 0 "[ . 1 . 2]" 1
97 1 83 LEU H 1 84 HIS H 3.780 . 3.780 2.686 2.612 2.761 . 0 0 "[ . 1 . 2]" 1
98 1 84 HIS H 1 84 HIS HB3 3.810 . 3.810 2.630 2.535 2.736 . 0 0 "[ . 1 . 2]" 1
99 1 84 HIS H 1 84 HIS HB2 3.810 . 3.810 2.428 2.338 2.520 . 0 0 "[ . 1 . 2]" 1
100 1 105 LYS H 1 105 LYS QB 3.470 . 3.470 2.124 2.040 2.270 . 0 0 "[ . 1 . 2]" 1
101 1 66 PHE H 1 66 PHE QD 3.860 . 3.860 2.513 2.195 2.805 . 0 0 "[ . 1 . 2]" 1
102 1 66 PHE H 1 66 PHE HB2 3.890 . 3.890 2.480 2.335 2.627 . 0 0 "[ . 1 . 2]" 1
103 1 66 PHE H 1 66 PHE HB3 3.890 . 3.890 3.657 3.588 3.746 . 0 0 "[ . 1 . 2]" 1
104 1 58 HIS H 1 58 HIS HB2 4.150 . 4.150 2.812 2.275 3.632 . 0 0 "[ . 1 . 2]" 1
105 1 12 ASP H 1 13 ILE H 3.840 . 3.840 2.564 2.480 2.795 . 0 0 "[ . 1 . 2]" 1
106 1 12 ASP H 1 12 ASP QB 3.550 . 3.550 2.205 2.094 2.560 . 0 0 "[ . 1 . 2]" 1
107 1 11 GLU QB 1 12 ASP H 3.860 . 3.860 2.842 2.713 3.214 . 0 0 "[ . 1 . 2]" 1
108 1 22 LEU H 1 22 LEU HG 4.060 . 4.060 3.172 2.888 4.026 . 0 0 "[ . 1 . 2]" 1
109 1 98 GLU H 1 98 GLU HG3 4.060 . 4.060 3.555 2.336 3.849 . 0 0 "[ . 1 . 2]" 1
110 1 98 GLU H 1 98 GLU QB 3.580 . 3.580 2.228 2.063 2.410 . 0 0 "[ . 1 . 2]" 1
111 1 39 ALA H 1 40 LEU H 3.670 . 3.670 2.572 2.514 2.620 . 0 0 "[ . 1 . 2]" 1
112 1 82 GLU H 1 82 GLU QB 3.050 . 3.050 2.137 2.040 2.240 . 0 0 "[ . 1 . 2]" 1
113 1 40 LEU H 1 40 LEU HB3 3.670 . 3.670 2.424 2.396 2.496 . 0 0 "[ . 1 . 2]" 1
114 1 40 LEU H 1 40 LEU HB2 3.670 . 3.670 2.614 2.539 2.641 . 0 0 "[ . 1 . 2]" 1
115 1 39 ALA MB 1 40 LEU H 3.540 . 3.540 2.792 2.769 2.818 . 0 0 "[ . 1 . 2]" 1
116 1 46 ILE H 1 46 ILE HB 3.660 . 3.660 2.518 2.474 2.576 . 0 0 "[ . 1 . 2]" 1
117 1 100 LEU H 1 101 GLU H 3.740 . 3.740 2.689 2.644 2.723 . 0 0 "[ . 1 . 2]" 1
118 1 99 PHE HB3 1 100 LEU H 4.320 . 4.320 2.643 2.556 2.759 . 0 0 "[ . 1 . 2]" 1
119 1 96 ASP H 1 96 ASP HB3 3.820 . 3.820 3.428 2.546 3.587 . 0 0 "[ . 1 . 2]" 1
120 1 96 ASP H 1 96 ASP HB2 3.820 . 3.820 2.249 2.059 2.659 . 0 0 "[ . 1 . 2]" 1
121 1 100 LEU H 1 100 LEU HG 3.620 . 3.620 2.499 2.368 2.626 . 0 0 "[ . 1 . 2]" 1
122 1 100 LEU H 1 100 LEU HB2 3.780 . 3.780 2.373 2.313 2.421 . 0 0 "[ . 1 . 2]" 1
123 1 100 LEU H 1 100 LEU HB3 3.780 . 3.780 3.571 3.554 3.581 . 0 0 "[ . 1 . 2]" 1
124 1 95 ALA MB 1 96 ASP H 3.620 . 3.620 2.584 2.446 2.685 . 0 0 "[ . 1 . 2]" 1
125 1 100 LEU H 1 100 LEU MD1 3.910 . 3.910 3.774 3.455 3.866 . 0 0 "[ . 1 . 2]" 1
126 1 88 ARG H 1 88 ARG QB 3.220 . 3.220 2.748 2.044 3.262 0.042 11 0 "[ . 1 . 2]" 1
127 1 80 VAL H 1 80 VAL HB 3.490 . 3.490 2.551 2.514 2.599 . 0 0 "[ . 1 . 2]" 1
128 1 80 VAL H 1 80 VAL MG2 3.460 . 3.460 2.236 2.165 2.295 . 0 0 "[ . 1 . 2]" 1
129 1 104 LYS H 1 104 LYS HB3 3.780 . 3.780 3.052 2.583 3.528 . 0 0 "[ . 1 . 2]" 1
130 1 103 ALA MB 1 104 LYS H 3.900 . 3.900 2.638 2.600 2.693 . 0 0 "[ . 1 . 2]" 1
131 1 35 PHE HB2 1 36 ALA H 3.910 . 3.910 3.862 3.808 3.912 0.002 15 0 "[ . 1 . 2]" 1
132 1 35 PHE HB3 1 36 ALA H 3.910 . 3.910 2.478 2.399 2.559 . 0 0 "[ . 1 . 2]" 1
133 1 36 ALA H 1 36 ALA MB 3.080 . 3.080 2.162 2.151 2.195 . 0 0 "[ . 1 . 2]" 1
134 1 21 GLN H 1 22 LEU H 3.650 . 3.650 2.671 2.551 2.722 . 0 0 "[ . 1 . 2]" 1
135 1 63 VAL H 1 63 VAL HB 3.590 . 3.590 2.693 2.615 2.781 . 0 0 "[ . 1 . 2]" 1
136 1 20 LEU QB 1 21 GLN H 3.550 . 3.550 2.510 2.377 2.779 . 0 0 "[ . 1 . 2]" 1
137 1 19 CYS H 1 20 LEU H 3.840 . 3.840 2.758 2.690 2.818 . 0 0 "[ . 1 . 2]" 1
138 1 20 LEU H 1 21 GLN H 3.750 . 3.750 2.739 2.630 2.825 . 0 0 "[ . 1 . 2]" 1
139 1 17 TYR HA 1 20 LEU H 3.860 . 3.860 3.576 3.444 3.684 . 0 0 "[ . 1 . 2]" 1
140 1 94 GLN H 1 94 GLN QG 3.850 . 3.850 3.241 2.239 3.790 . 0 0 "[ . 1 . 2]" 1
141 1 94 GLN H 1 94 GLN HB3 3.940 . 3.940 3.396 3.102 3.590 . 0 0 "[ . 1 . 2]" 1
142 1 20 LEU H 1 20 LEU QB 3.320 . 3.320 2.338 2.231 2.429 . 0 0 "[ . 1 . 2]" 1
143 1 20 LEU H 1 20 LEU HG 3.760 . 3.760 2.470 2.259 2.729 . 0 0 "[ . 1 . 2]" 1
144 1 52 ASP H 1 52 ASP QB 3.440 . 3.440 2.301 2.090 3.034 . 0 0 "[ . 1 . 2]" 1
145 1 30 ARG H 1 31 LEU H 3.570 . 3.570 2.515 2.363 2.576 . 0 0 "[ . 1 . 2]" 1
146 1 31 LEU H 1 31 LEU HB2 4.040 . 4.040 2.995 2.720 3.121 . 0 0 "[ . 1 . 2]" 1
147 1 41 LEU H 1 41 LEU HG 3.490 . 3.490 2.114 1.955 2.242 . 0 0 "[ . 1 . 2]" 1
148 1 106 LEU H 1 107 SER H 3.750 . 3.750 2.313 2.071 2.567 . 0 0 "[ . 1 . 2]" 1
149 1 105 LYS H 1 106 LEU H 3.670 . 3.670 2.505 2.412 2.615 . 0 0 "[ . 1 . 2]" 1
150 1 103 ALA HA 1 106 LEU H 4.130 . 4.130 3.464 3.317 3.652 . 0 0 "[ . 1 . 2]" 1
151 1 105 LYS QB 1 106 LEU H 3.840 . 3.840 3.060 2.968 3.115 . 0 0 "[ . 1 . 2]" 1
152 1 106 LEU H 1 106 LEU QB 3.050 . 3.050 2.352 2.095 2.439 . 0 0 "[ . 1 . 2]" 1
153 1 106 LEU H 1 106 LEU MD1 4.440 . 4.440 3.613 2.821 4.336 . 0 0 "[ . 1 . 2]" 1
154 1 106 LEU H 1 106 LEU MD2 4.660 . 4.660 3.504 2.541 4.430 . 0 0 "[ . 1 . 2]" 1
155 1 82 GLU QB 1 83 LEU H 3.700 . 3.700 2.374 2.227 2.590 . 0 0 "[ . 1 . 2]" 1
156 1 83 LEU H 1 83 LEU HG 3.420 . 3.420 2.522 2.312 2.754 . 0 0 "[ . 1 . 2]" 1
157 1 83 LEU H 1 83 LEU MD2 3.980 . 3.980 3.801 3.608 3.986 0.006 11 0 "[ . 1 . 2]" 1
158 1 74 LYS H 1 75 GLU H 3.700 . 3.700 2.876 2.776 2.946 . 0 0 "[ . 1 . 2]" 1
159 1 75 GLU H 1 76 LEU H 3.750 . 3.750 2.810 2.657 2.875 . 0 0 "[ . 1 . 2]" 1
160 1 33 CYS HA 1 34 SER H 3.280 . 3.280 2.429 2.189 2.462 . 0 0 "[ . 1 . 2]" 1
161 1 75 GLU H 1 75 GLU HB2 3.810 . 3.810 2.417 2.071 3.573 . 0 0 "[ . 1 . 2]" 1
162 1 75 GLU H 1 75 GLU HB3 3.810 . 3.810 3.404 2.782 3.591 . 0 0 "[ . 1 . 2]" 1
163 1 74 LYS HB2 1 75 GLU H 3.990 . 3.990 3.264 2.550 3.879 . 0 0 "[ . 1 . 2]" 1
164 1 30 ARG H 1 30 ARG HB2 3.910 . 3.910 2.352 2.136 2.561 . 0 0 "[ . 1 . 2]" 1
165 1 30 ARG H 1 30 ARG HB3 3.910 . 3.910 3.205 2.659 3.653 . 0 0 "[ . 1 . 2]" 1
166 1 28 ALA MB 1 30 ARG H 3.590 . 3.590 3.213 2.975 3.454 . 0 0 "[ . 1 . 2]" 1
167 1 65 ASP H 1 66 PHE H 3.440 . 3.440 2.253 2.154 2.343 . 0 0 "[ . 1 . 2]" 1
168 1 64 SER H 1 65 ASP H 3.440 . 3.440 2.681 2.625 2.716 . 0 0 "[ . 1 . 2]" 1
169 1 65 ASP H 1 65 ASP HB2 3.630 . 3.630 2.383 2.142 3.635 0.005 8 0 "[ . 1 . 2]" 1
170 1 65 ASP H 1 65 ASP HB3 3.630 . 3.630 3.211 2.578 3.628 . 0 0 "[ . 1 . 2]" 1
171 1 56 GLU HB2 1 57 LEU H 4.910 . 4.910 3.791 3.635 4.056 . 0 0 "[ . 1 . 2]" 1
172 1 56 GLU HB3 1 57 LEU H 4.910 . 4.910 4.087 3.913 4.178 . 0 0 "[ . 1 . 2]" 1
173 1 57 LEU H 1 57 LEU HG 4.110 . 4.110 2.677 2.161 4.118 0.008 2 0 "[ . 1 . 2]" 1
174 1 57 LEU H 1 57 LEU HB2 3.820 . 3.820 2.510 2.245 2.659 . 0 0 "[ . 1 . 2]" 1
175 1 57 LEU H 1 57 LEU HB3 4.020 . 4.020 3.632 3.524 3.707 . 0 0 "[ . 1 . 2]" 1
176 1 57 LEU H 1 57 LEU MD1 4.380 . 4.380 3.791 3.672 3.955 . 0 0 "[ . 1 . 2]" 1
177 1 61 ASP H 1 62 TYR H 3.810 . 3.810 2.737 2.347 3.109 . 0 0 "[ . 1 . 2]" 1
178 1 62 TYR H 1 62 TYR QD 3.740 . 3.740 2.499 2.049 2.859 . 0 0 "[ . 1 . 2]" 1
179 1 62 TYR H 1 62 TYR HB3 3.960 . 3.960 2.834 2.504 3.033 . 0 0 "[ . 1 . 2]" 1
180 1 77 GLU H 1 78 GLU H 3.910 . 3.910 2.821 2.781 2.853 . 0 0 "[ . 1 . 2]" 1
181 1 72 GLN HG2 1 77 GLU H 4.790 . 4.790 3.756 3.560 3.962 . 0 0 "[ . 1 . 2]" 1
182 1 77 GLU H 1 77 GLU HB2 3.930 . 3.930 2.257 2.077 2.580 . 0 0 "[ . 1 . 2]" 1
183 1 77 GLU H 1 77 GLU HG3 4.470 . 4.470 2.948 2.051 4.016 . 0 0 "[ . 1 . 2]" 1
184 1 77 GLU H 1 77 GLU HB3 3.930 . 3.930 3.474 3.005 3.597 . 0 0 "[ . 1 . 2]" 1
185 1 75 GLU HA 1 78 GLU H 3.780 . 3.780 3.793 3.785 3.803 0.023 15 0 "[ . 1 . 2]" 1
186 1 78 GLU H 1 78 GLU HG2 3.660 . 3.660 2.939 2.135 3.588 . 0 0 "[ . 1 . 2]" 1
187 1 78 GLU H 1 78 GLU HG3 3.660 . 3.660 2.855 2.184 3.480 . 0 0 "[ . 1 . 2]" 1
188 1 78 GLU H 1 81 MET ME 3.500 . 3.500 3.464 3.317 3.513 0.013 19 0 "[ . 1 . 2]" 1
189 1 80 VAL H 1 81 MET H 3.750 . 3.750 2.691 2.641 2.733 . 0 0 "[ . 1 . 2]" 1
190 1 81 MET H 1 82 GLU H 3.770 . 3.770 2.608 2.580 2.634 . 0 0 "[ . 1 . 2]" 1
191 1 80 VAL HB 1 81 MET H 3.450 . 3.450 2.398 2.341 2.477 . 0 0 "[ . 1 . 2]" 1
192 1 43 SER H 1 43 SER HB3 3.980 . 3.980 3.195 2.354 3.589 . 0 0 "[ . 1 . 2]" 1
193 1 8 GLN H 1 8 GLN QG 3.660 . 3.660 2.676 2.268 2.940 . 0 0 "[ . 1 . 2]" 1
194 1 8 GLN H 1 8 GLN HB2 4.130 . 4.130 2.968 2.237 3.650 . 0 0 "[ . 1 . 2]" 1
195 1 8 GLN H 1 8 GLN HB3 4.130 . 4.130 3.763 2.688 4.088 . 0 0 "[ . 1 . 2]" 1
196 1 7 ALA MB 1 8 GLN H 3.700 . 3.700 2.979 1.994 3.636 . 0 0 "[ . 1 . 2]" 1
197 1 23 ARG H 1 24 GLN H 3.750 . 3.750 2.584 2.522 2.627 . 0 0 "[ . 1 . 2]" 1
198 1 24 GLN H 1 24 GLN HG3 4.010 . 4.010 3.278 1.927 4.010 . 0 0 "[ . 1 . 2]" 1
199 1 24 GLN H 1 24 GLN HB2 3.720 . 3.720 2.594 2.077 3.617 . 0 0 "[ . 1 . 2]" 1
200 1 24 GLN H 1 24 GLN HB3 3.720 . 3.720 3.196 2.590 3.534 . 0 0 "[ . 1 . 2]" 1
201 1 37 THR H 1 38 LEU H 3.730 . 3.730 2.589 2.502 2.743 . 0 0 "[ . 1 . 2]" 1
202 1 36 ALA H 1 37 THR H 3.750 . 3.750 2.884 2.825 2.960 . 0 0 "[ . 1 . 2]" 1
203 1 37 THR H 1 37 THR HB 3.450 . 3.450 2.464 2.409 2.520 . 0 0 "[ . 1 . 2]" 1
204 1 68 LEU H 1 69 ALA H 3.270 . 3.270 2.296 2.164 2.373 . 0 0 "[ . 1 . 2]" 1
205 1 67 LYS HA 1 69 ALA H 3.860 . 3.860 3.351 3.300 3.430 . 0 0 "[ . 1 . 2]" 1
206 1 69 ALA H 1 69 ALA MB 3.510 . 3.510 2.835 2.762 2.890 . 0 0 "[ . 1 . 2]" 1
207 1 27 VAL MG1 1 69 ALA H 4.450 . 4.450 3.039 2.766 3.508 . 0 0 "[ . 1 . 2]" 1
208 1 107 SER HA 1 108 MET H 3.550 . 3.550 2.709 2.318 2.896 . 0 0 "[ . 1 . 2]" 1
209 1 108 MET H 1 108 MET HG2 3.980 . 3.980 2.611 1.979 3.642 . 0 0 "[ . 1 . 2]" 1
210 1 16 TYR H 1 17 TYR H 3.560 . 3.560 2.881 2.652 3.006 . 0 0 "[ . 1 . 2]" 1
211 1 19 CYS H 1 19 CYS HB2 4.030 . 4.030 2.330 2.067 2.628 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU HB3 1 19 CYS H 3.990 . 3.990 2.321 2.313 2.374 . 0 0 "[ . 1 . 2]" 1
213 1 50 LEU H 1 50 LEU HB2 3.810 . 3.810 2.541 2.506 2.582 . 0 0 "[ . 1 . 2]" 1
214 1 27 VAL HB 1 28 ALA H 4.070 . 4.070 3.830 3.799 3.873 . 0 0 "[ . 1 . 2]" 1
215 1 36 ALA MB 1 37 THR H 3.500 . 3.500 2.600 2.495 2.694 . 0 0 "[ . 1 . 2]" 1
216 1 27 VAL MG2 1 28 ALA H 3.520 . 3.520 2.098 1.893 2.231 . 0 0 "[ . 1 . 2]" 1
217 1 59 GLY HA2 1 60 VAL H 3.550 . 3.550 2.944 2.136 3.558 0.008 1 0 "[ . 1 . 2]" 1
218 1 59 GLY HA3 1 60 VAL H 3.550 . 3.550 2.623 2.137 3.563 0.013 16 0 "[ . 1 . 2]" 1
219 1 60 VAL H 1 60 VAL HB 4.010 . 4.010 3.660 2.902 3.937 . 0 0 "[ . 1 . 2]" 1
220 1 101 GLU H 1 102 ASN H 3.690 . 3.690 2.526 2.493 2.547 . 0 0 "[ . 1 . 2]" 1
221 1 102 ASN H 1 103 ALA H 3.990 . 3.990 2.581 2.561 2.600 . 0 0 "[ . 1 . 2]" 1
222 1 102 ASN H 1 102 ASN HB2 3.740 . 3.740 2.092 2.082 2.111 . 0 0 "[ . 1 . 2]" 1
223 1 101 GLU QG 1 102 ASN H 4.210 . 4.210 4.029 3.742 4.263 0.053 19 0 "[ . 1 . 2]" 1
224 1 14 THR H 1 14 THR HB 3.780 . 3.780 2.435 2.394 2.472 . 0 0 "[ . 1 . 2]" 1
225 1 85 LYS H 1 86 SER H 3.740 . 3.740 2.527 2.389 2.647 . 0 0 "[ . 1 . 2]" 1
226 1 56 GLU H 1 57 LEU H 3.250 . 3.250 2.559 2.307 2.647 . 0 0 "[ . 1 . 2]" 1
227 1 82 GLU HA 1 85 LYS H 3.920 . 3.920 3.815 3.706 3.920 . 0 0 "[ . 1 . 2]" 1
228 1 84 HIS HB3 1 85 LYS H 4.220 . 4.220 2.255 2.220 2.370 . 0 0 "[ . 1 . 2]" 1
229 1 56 GLU H 1 56 GLU HG3 3.860 . 3.860 3.089 2.186 3.729 . 0 0 "[ . 1 . 2]" 1
230 1 56 GLU H 1 56 GLU HG2 3.860 . 3.860 2.181 1.974 2.577 . 0 0 "[ . 1 . 2]" 1
231 1 85 LYS H 1 85 LYS HB2 4.070 . 4.070 2.480 2.080 2.673 . 0 0 "[ . 1 . 2]" 1
232 1 85 LYS H 1 85 LYS HB3 4.070 . 4.070 2.917 2.446 3.614 . 0 0 "[ . 1 . 2]" 1
233 1 85 LYS H 1 85 LYS HG2 4.770 . 4.770 4.233 3.549 4.515 . 0 0 "[ . 1 . 2]" 1
234 1 85 LYS H 1 85 LYS QD 5.160 . 5.160 3.924 2.671 4.592 . 0 0 "[ . 1 . 2]" 1
235 1 49 GLU H 1 50 LEU H 3.730 . 3.730 2.464 2.440 2.485 . 0 0 "[ . 1 . 2]" 1
236 1 49 GLU H 1 49 GLU HB3 3.900 . 3.900 3.345 3.251 3.446 . 0 0 "[ . 1 . 2]" 1
237 1 49 GLU H 1 49 GLU HB2 3.900 . 3.900 2.125 2.114 2.151 . 0 0 "[ . 1 . 2]" 1
238 1 92 PRO HG3 1 93 ALA H 4.380 . 4.380 3.964 3.728 4.416 0.036 10 0 "[ . 1 . 2]" 1
239 1 93 ALA H 1 93 ALA MB 3.030 . 3.030 2.150 2.044 2.237 . 0 0 "[ . 1 . 2]" 1
240 1 72 GLN HA 1 73 THR H 3.130 . 3.130 2.132 2.125 2.137 . 0 0 "[ . 1 . 2]" 1
241 1 73 THR H 1 73 THR MG 3.420 . 3.420 2.286 1.941 3.148 . 0 0 "[ . 1 . 2]" 1
242 1 73 THR H 1 76 LEU MD2 3.920 . 3.920 2.832 2.365 3.047 . 0 0 "[ . 1 . 2]" 1
243 1 86 SER H 1 86 SER HB2 4.120 . 4.120 2.735 2.075 3.580 . 0 0 "[ . 1 . 2]" 1
244 1 10 THR H 1 10 THR HB 3.830 . 3.830 3.269 2.574 3.591 . 0 0 "[ . 1 . 2]" 1
245 1 8 GLN HA 1 10 THR H 4.180 . 4.180 3.676 3.019 4.185 0.005 20 0 "[ . 1 . 2]" 1
246 1 10 THR H 1 10 THR MG 3.790 . 3.790 2.911 2.084 3.750 . 0 0 "[ . 1 . 2]" 1
247 1 64 SER H 1 64 SER HB3 3.560 . 3.560 2.933 2.290 3.571 0.011 9 0 "[ . 1 . 2]" 1
248 1 64 SER H 1 64 SER HB2 3.560 . 3.560 2.561 2.060 3.555 . 0 0 "[ . 1 . 2]" 1
249 1 8 GLN HE22 1 8 GLN QG 3.820 . 3.820 3.285 3.217 3.439 . 0 0 "[ . 1 . 2]" 1
250 1 94 GLN HE22 1 94 GLN QG 3.660 . 3.660 3.293 3.217 3.415 . 0 0 "[ . 1 . 2]" 1
251 1 48 SER H 1 49 GLU H 3.840 . 3.840 2.414 2.397 2.442 . 0 0 "[ . 1 . 2]" 1
252 1 50 LEU H 1 51 GLY H 3.400 . 3.400 2.233 2.178 2.298 . 0 0 "[ . 1 . 2]" 1
253 1 58 HIS HA 1 59 GLY H 3.510 . 3.510 2.685 2.211 3.542 0.032 3 0 "[ . 1 . 2]" 1
254 1 42 GLY H 1 43 SER H 3.920 . 3.920 2.658 2.629 2.678 . 0 0 "[ . 1 . 2]" 1
255 1 29 GLY H 1 30 ARG H 3.500 . 3.500 2.598 2.547 2.716 . 0 0 "[ . 1 . 2]" 1
256 1 28 ALA MB 1 29 GLY H 3.820 . 3.820 3.294 3.270 3.317 . 0 0 "[ . 1 . 2]" 1
257 1 32 PRO HA 1 33 CYS H 2.930 . 2.930 2.153 2.147 2.157 . 0 0 "[ . 1 . 2]" 1
258 1 32 PRO HB3 1 33 CYS H 4.170 . 4.170 3.906 3.484 4.145 . 0 0 "[ . 1 . 2]" 1
259 1 32 PRO HB2 1 33 CYS H 4.170 . 4.170 3.750 3.560 4.021 . 0 0 "[ . 1 . 2]" 1
260 1 43 SER H 1 44 TYR H 4.070 . 4.070 2.794 2.729 2.831 . 0 0 "[ . 1 . 2]" 1
261 1 44 TYR H 1 44 TYR HB3 4.070 . 4.070 3.548 3.514 3.568 . 0 0 "[ . 1 . 2]" 1
262 1 44 TYR H 1 44 TYR HB2 4.070 . 4.070 2.282 2.219 2.331 . 0 0 "[ . 1 . 2]" 1
263 1 72 GLN H 1 72 GLN HG2 5.000 . 5.000 4.559 4.469 4.636 . 0 0 "[ . 1 . 2]" 1
264 1 90 MET HG3 1 95 ALA H 5.240 . 5.240 4.255 3.624 4.718 . 0 0 "[ . 1 . 2]" 1
265 1 68 LEU H 1 68 LEU HB3 4.140 . 4.140 3.643 3.621 3.687 . 0 0 "[ . 1 . 2]" 1
266 1 15 ARG HA 1 18 LEU H 4.130 . 4.130 3.455 3.339 3.591 . 0 0 "[ . 1 . 2]" 1
267 1 18 LEU H 1 18 LEU HG 4.810 . 4.810 4.544 4.501 4.570 . 0 0 "[ . 1 . 2]" 1
268 1 67 LYS H 1 67 LYS HG2 4.240 . 4.240 3.041 2.068 3.943 . 0 0 "[ . 1 . 2]" 1
269 1 12 ASP QB 1 13 ILE H 4.080 . 4.080 2.463 2.357 2.584 . 0 0 "[ . 1 . 2]" 1
270 1 13 ILE H 1 13 ILE HG13 4.100 . 4.100 3.299 2.247 3.605 . 0 0 "[ . 1 . 2]" 1
271 1 13 ILE H 1 13 ILE MG 4.080 . 4.080 3.759 3.752 3.765 . 0 0 "[ . 1 . 2]" 1
272 1 102 ASN HB2 1 103 ALA H 4.050 . 4.050 2.840 2.739 2.888 . 0 0 "[ . 1 . 2]" 1
273 1 102 ASN HB3 1 103 ALA H 3.980 . 3.980 2.859 2.823 2.927 . 0 0 "[ . 1 . 2]" 1
274 1 41 LEU MD2 1 103 ALA H 4.070 . 4.070 3.415 3.173 3.900 . 0 0 "[ . 1 . 2]" 1
275 1 35 PHE H 1 35 PHE HB3 3.970 . 3.970 2.451 2.415 2.480 . 0 0 "[ . 1 . 2]" 1
276 1 7 ALA H 1 9 LEU H 4.830 . 4.830 4.654 3.938 4.847 0.017 10 0 "[ . 1 . 2]" 1
277 1 6 PRO HD3 1 7 ALA H 3.970 . 3.970 3.880 3.735 3.971 0.001 15 0 "[ . 1 . 2]" 1
278 1 73 THR MG 1 74 LYS H 3.960 . 3.960 3.755 3.527 3.950 . 0 0 "[ . 1 . 2]" 1
279 1 8 GLN HB2 1 9 LEU H 4.500 . 4.500 3.994 3.111 4.451 . 0 0 "[ . 1 . 2]" 1
280 1 8 GLN HB3 1 9 LEU H 4.500 . 4.500 4.308 3.737 4.482 . 0 0 "[ . 1 . 2]" 1
281 1 9 LEU H 1 9 LEU MD2 4.080 . 4.080 2.192 1.905 3.528 . 0 0 "[ . 1 . 2]" 1
282 1 45 THR H 1 46 ILE H 3.960 . 3.960 2.686 2.624 2.734 . 0 0 "[ . 1 . 2]" 1
283 1 53 TYR H 1 53 TYR HB2 4.070 . 4.070 2.483 2.327 2.586 . 0 0 "[ . 1 . 2]" 1
284 1 53 TYR H 1 53 TYR HB3 4.070 . 4.070 2.635 2.519 2.790 . 0 0 "[ . 1 . 2]" 1
285 1 88 ARG QB 1 89 SER H 4.040 . 4.040 2.747 1.873 3.884 . 0 0 "[ . 1 . 2]" 1
286 1 79 LYS H 1 80 VAL MG2 4.250 . 4.250 4.175 4.066 4.256 0.006 14 0 "[ . 1 . 2]" 1
287 1 108 MET HB3 1 109 TYR H 4.590 . 4.590 4.048 3.617 4.570 . 0 0 "[ . 1 . 2]" 1
288 1 98 GLU HA 1 101 GLU H 4.060 . 4.060 3.853 3.721 3.924 . 0 0 "[ . 1 . 2]" 1
289 1 38 LEU HB2 1 39 ALA H 4.670 . 4.670 2.565 2.463 2.641 . 0 0 "[ . 1 . 2]" 1
290 1 61 ASP H 1 61 ASP HB3 4.180 . 4.180 3.732 2.912 4.103 . 0 0 "[ . 1 . 2]" 1
291 1 105 LYS H 1 105 LYS HG2 4.770 . 4.770 4.453 3.912 4.660 . 0 0 "[ . 1 . 2]" 1
292 1 105 LYS H 1 105 LYS QD 5.210 . 5.210 3.845 3.159 4.723 . 0 0 "[ . 1 . 2]" 1
293 1 57 LEU HB3 1 58 HIS H 4.290 . 4.290 3.737 3.294 4.195 . 0 0 "[ . 1 . 2]" 1
294 1 98 GLU H 1 98 GLU HG2 4.060 . 4.060 2.928 2.353 4.088 0.028 20 0 "[ . 1 . 2]" 1
295 1 97 LEU HB2 1 98 GLU H 3.950 . 3.950 3.736 3.276 3.923 . 0 0 "[ . 1 . 2]" 1
296 1 97 LEU HB3 1 98 GLU H 3.950 . 3.950 2.797 2.523 2.953 . 0 0 "[ . 1 . 2]" 1
297 1 79 LYS HA 1 82 GLU H 3.960 . 3.960 3.574 3.488 3.700 . 0 0 "[ . 1 . 2]" 1
298 1 82 GLU H 1 82 GLU HG2 5.060 . 5.060 4.208 2.948 4.639 . 0 0 "[ . 1 . 2]" 1
299 1 36 ALA MB 1 40 LEU H 4.530 . 4.530 4.566 4.560 4.573 0.043 19 0 "[ . 1 . 2]" 1
300 1 46 ILE H 1 46 ILE HG12 4.180 . 4.180 2.118 2.027 2.206 . 0 0 "[ . 1 . 2]" 1
301 1 92 PRO HA 1 96 ASP H 4.360 . 4.360 4.233 4.047 4.370 0.010 4 0 "[ . 1 . 2]" 1
302 1 87 TYR QD 1 88 ARG H 4.260 . 4.260 3.775 3.219 4.129 . 0 0 "[ . 1 . 2]" 1
303 1 104 LYS H 1 105 LYS H 4.080 . 4.080 2.564 2.488 2.683 . 0 0 "[ . 1 . 2]" 1
304 1 35 PHE QD 1 36 ALA H 3.960 . 3.960 2.898 2.802 3.080 . 0 0 "[ . 1 . 2]" 1
305 1 63 VAL H 1 63 VAL MG1 4.050 . 4.050 3.762 3.746 3.794 . 0 0 "[ . 1 . 2]" 1
306 1 94 GLN H 1 94 GLN HB2 3.940 . 3.940 2.155 2.061 2.526 . 0 0 "[ . 1 . 2]" 1
307 1 29 GLY HA2 1 31 LEU H 4.480 . 4.480 3.062 3.010 3.188 . 0 0 "[ . 1 . 2]" 1
308 1 31 LEU H 1 32 PRO QD 5.250 . 5.250 4.030 3.678 4.209 . 0 0 "[ . 1 . 2]" 1
309 1 31 LEU H 1 31 LEU HB3 4.040 . 4.040 3.276 3.060 3.809 . 0 0 "[ . 1 . 2]" 1
310 1 40 LEU H 1 41 LEU H 3.980 . 3.980 2.700 2.683 2.718 . 0 0 "[ . 1 . 2]" 1
311 1 37 THR HA 1 41 LEU H 4.480 . 4.480 3.565 3.454 3.675 . 0 0 "[ . 1 . 2]" 1
312 1 38 LEU HA 1 41 LEU H 5.160 . 5.160 3.921 3.868 3.988 . 0 0 "[ . 1 . 2]" 1
313 1 40 LEU MD2 1 41 LEU H 3.990 . 3.990 2.720 2.452 2.901 . 0 0 "[ . 1 . 2]" 1
314 1 41 LEU H 1 41 LEU MD1 4.010 . 4.010 3.376 3.176 3.548 . 0 0 "[ . 1 . 2]" 1
315 1 41 LEU H 1 41 LEU MD2 4.080 . 4.080 3.407 3.205 3.498 . 0 0 "[ . 1 . 2]" 1
316 1 34 SER H 1 37 THR HB 4.000 . 4.000 2.639 2.480 2.957 . 0 0 "[ . 1 . 2]" 1
317 1 62 TYR H 1 62 TYR HB2 3.960 . 3.960 3.586 3.567 3.612 . 0 0 "[ . 1 . 2]" 1
318 1 74 LYS HA 1 77 GLU H 4.310 . 4.310 3.524 3.365 3.645 . 0 0 "[ . 1 . 2]" 1
319 1 43 SER H 1 80 VAL MG2 3.960 . 3.960 3.626 3.239 3.891 . 0 0 "[ . 1 . 2]" 1
320 1 22 LEU H 1 23 ARG H 3.950 . 3.950 2.698 2.551 2.847 . 0 0 "[ . 1 . 2]" 1
321 1 23 ARG H 1 23 ARG HG3 4.660 . 4.660 4.255 3.716 4.529 . 0 0 "[ . 1 . 2]" 1
322 1 24 GLN H 1 24 GLN HG2 4.010 . 4.010 3.196 2.136 3.956 . 0 0 "[ . 1 . 2]" 1
323 1 23 ARG HB2 1 24 GLN H 4.160 . 4.160 3.674 3.159 4.092 . 0 0 "[ . 1 . 2]" 1
324 1 23 ARG HB3 1 24 GLN H 4.160 . 4.160 3.019 2.853 3.296 . 0 0 "[ . 1 . 2]" 1
325 1 37 THR H 1 37 THR MG 3.980 . 3.980 3.737 3.732 3.743 . 0 0 "[ . 1 . 2]" 1
326 1 68 LEU HB3 1 69 ALA H 4.510 . 4.510 4.187 4.124 4.298 . 0 0 "[ . 1 . 2]" 1
327 1 71 ASN H 1 71 ASN HB3 4.110 . 4.110 3.307 2.886 3.745 . 0 0 "[ . 1 . 2]" 1
328 1 108 MET H 1 108 MET HG3 3.980 . 3.980 2.910 1.997 3.649 . 0 0 "[ . 1 . 2]" 1
329 1 70 PRO HG2 1 71 ASN H 4.010 . 4.010 2.154 1.974 3.169 . 0 0 "[ . 1 . 2]" 1
330 1 69 ALA MB 1 71 ASN H 3.960 . 3.960 2.846 2.530 3.643 . 0 0 "[ . 1 . 2]" 1
331 1 102 ASN H 1 102 ASN HD22 4.540 . 4.540 4.532 4.448 4.549 0.009 4 0 "[ . 1 . 2]" 1
332 1 102 ASN H 1 102 ASN HD21 4.540 . 4.540 2.959 2.809 3.217 . 0 0 "[ . 1 . 2]" 1
333 1 19 CYS H 1 19 CYS HB3 4.030 . 4.030 3.304 2.640 3.592 . 0 0 "[ . 1 . 2]" 1
334 1 14 THR H 1 14 THR MG 4.070 . 4.070 2.293 2.261 2.373 . 0 0 "[ . 1 . 2]" 1
335 1 84 HIS H 1 85 LYS H 4.040 . 4.040 2.868 2.805 2.937 . 0 0 "[ . 1 . 2]" 1
336 1 49 GLU H 1 49 GLU HG2 4.650 . 4.650 3.989 3.204 4.613 . 0 0 "[ . 1 . 2]" 1
337 1 91 THR HB 1 93 ALA H 3.940 . 3.940 3.108 2.729 3.506 . 0 0 "[ . 1 . 2]" 1
338 1 73 THR H 1 76 LEU HB3 4.260 . 4.260 2.197 2.028 2.270 . 0 0 "[ . 1 . 2]" 1
339 1 73 THR H 1 76 LEU HG 4.320 . 4.320 4.318 4.151 4.343 0.023 9 0 "[ . 1 . 2]" 1
340 1 9 LEU H 1 10 THR H 3.980 . 3.980 2.491 2.047 2.931 . 0 0 "[ . 1 . 2]" 1
341 1 9 LEU HB3 1 10 THR H 4.780 . 4.780 3.999 2.812 4.564 . 0 0 "[ . 1 . 2]" 1
342 1 9 LEU HG 1 10 THR H 5.020 . 5.020 2.970 1.985 4.990 . 0 0 "[ . 1 . 2]" 1
343 1 48 SER H 1 95 ALA MB 3.950 . 3.950 3.447 3.218 3.922 . 0 0 "[ . 1 . 2]" 1
344 1 58 HIS H 1 59 GLY H 4.550 . 4.550 3.986 2.678 4.552 0.002 1 0 "[ . 1 . 2]" 1
345 1 41 LEU H 1 42 GLY H 3.980 . 3.980 2.610 2.554 2.645 . 0 0 "[ . 1 . 2]" 1
346 1 41 LEU HG 1 42 GLY H 4.420 . 4.420 4.266 4.115 4.355 . 0 0 "[ . 1 . 2]" 1
347 1 29 GLY H 1 70 PRO HG3 3.960 . 3.960 3.517 3.260 3.794 . 0 0 "[ . 1 . 2]" 1
348 1 68 LEU H 1 68 LEU HB2 4.140 . 4.140 2.741 2.646 2.899 . 0 0 "[ . 1 . 2]" 1
349 1 27 VAL MG1 1 68 LEU H 4.650 . 4.650 3.825 3.371 4.205 . 0 0 "[ . 1 . 2]" 1
350 1 68 LEU H 1 68 LEU MD2 4.850 . 4.850 3.501 3.016 4.026 . 0 0 "[ . 1 . 2]" 1
351 1 17 TYR HB2 1 18 LEU H 4.250 . 4.250 2.921 2.610 3.089 . 0 0 "[ . 1 . 2]" 1
352 1 17 TYR HB3 1 18 LEU H 4.250 . 4.250 3.669 3.307 3.862 . 0 0 "[ . 1 . 2]" 1
353 1 18 LEU H 1 18 LEU MD1 4.200 . 4.200 3.429 3.220 3.606 . 0 0 "[ . 1 . 2]" 1
354 1 37 THR MG 1 38 LEU H 4.090 . 4.090 3.557 3.437 3.614 . 0 0 "[ . 1 . 2]" 1
355 1 66 PHE HB2 1 67 LYS H 4.320 . 4.320 4.241 4.022 4.315 . 0 0 "[ . 1 . 2]" 1
356 1 67 LYS H 1 67 LYS QE 4.890 . 4.890 4.162 3.443 4.814 . 0 0 "[ . 1 . 2]" 1
357 1 67 LYS H 1 67 LYS HG3 4.240 . 4.240 3.032 2.308 4.059 . 0 0 "[ . 1 . 2]" 1
358 1 90 MET HG3 1 91 THR H 4.720 . 4.720 2.360 1.983 3.443 . 0 0 "[ . 1 . 2]" 1
359 1 34 SER HB2 1 35 PHE H 4.310 . 4.310 3.454 2.422 4.076 . 0 0 "[ . 1 . 2]" 1
360 1 6 PRO HD2 1 7 ALA H 4.210 . 4.210 2.706 2.449 2.866 . 0 0 "[ . 1 . 2]" 1
361 1 44 TYR HB3 1 45 THR H 4.340 . 4.340 3.386 3.269 3.489 . 0 0 "[ . 1 . 2]" 1
362 1 52 ASP QB 1 53 TYR H 4.270 . 4.270 2.636 1.989 3.443 . 0 0 "[ . 1 . 2]" 1
363 1 45 THR H 1 45 THR MG 4.170 . 4.170 3.706 2.887 3.754 . 0 0 "[ . 1 . 2]" 1
364 1 14 THR MG 1 15 ARG H 4.210 . 4.210 1.858 1.829 1.912 . 0 0 "[ . 1 . 2]" 1
365 1 88 ARG QG 1 89 SER H 4.520 . 4.520 3.765 2.217 4.547 0.027 11 0 "[ . 1 . 2]" 1
366 1 35 PHE HZ 1 76 LEU H 4.210 . 4.210 3.446 3.272 3.675 . 0 0 "[ . 1 . 2]" 1
367 1 76 LEU H 1 76 LEU MD2 4.260 . 4.260 4.192 4.162 4.241 . 0 0 "[ . 1 . 2]" 1
368 1 46 ILE MG 1 47 GLN H 4.180 . 4.180 3.281 3.187 3.419 . 0 0 "[ . 1 . 2]" 1
369 1 79 LYS H 1 79 LYS HD2 4.840 . 4.840 3.956 3.524 4.704 . 0 0 "[ . 1 . 2]" 1
370 1 104 LYS HA 1 109 TYR H 4.650 . 4.650 4.301 3.489 4.660 0.010 5 0 "[ . 1 . 2]" 1
371 1 16 TYR H 1 16 TYR QD 4.360 . 4.360 4.158 4.128 4.188 . 0 0 "[ . 1 . 2]" 1
372 1 61 ASP H 1 61 ASP HB2 4.180 . 4.180 2.973 2.204 3.649 . 0 0 "[ . 1 . 2]" 1
373 1 83 LEU HB3 1 84 HIS H 4.310 . 4.310 3.551 3.361 3.720 . 0 0 "[ . 1 . 2]" 1
374 1 105 LYS H 1 106 LEU QB 4.790 . 4.790 4.469 4.138 4.551 . 0 0 "[ . 1 . 2]" 1
375 1 66 PHE H 1 66 PHE QE 4.750 . 4.750 4.509 4.341 4.726 . 0 0 "[ . 1 . 2]" 1
376 1 64 SER HA 1 66 PHE H 4.170 . 4.170 4.134 3.934 4.176 0.006 8 0 "[ . 1 . 2]" 1
377 1 58 HIS H 1 58 HIS HB3 4.150 . 4.150 3.810 3.534 4.102 . 0 0 "[ . 1 . 2]" 1
378 1 22 LEU H 1 22 LEU MD2 4.170 . 4.170 3.993 1.943 4.187 0.017 20 0 "[ . 1 . 2]" 1
379 1 22 LEU H 1 22 LEU MD1 4.170 . 4.170 3.531 2.335 3.836 . 0 0 "[ . 1 . 2]" 1
380 1 97 LEU MD1 1 98 GLU H 5.100 . 5.100 4.639 4.495 4.754 . 0 0 "[ . 1 . 2]" 1
381 1 97 LEU MD2 1 98 GLU H 5.390 . 5.390 4.694 4.439 4.837 . 0 0 "[ . 1 . 2]" 1
382 1 46 ILE H 1 46 ILE HG13 4.180 . 4.180 3.509 3.415 3.583 . 0 0 "[ . 1 . 2]" 1
383 1 46 ILE H 1 46 ILE MG 4.190 . 4.190 3.766 3.760 3.772 . 0 0 "[ . 1 . 2]" 1
384 1 99 PHE QD 1 100 LEU H 4.170 . 4.170 2.935 2.721 3.357 . 0 0 "[ . 1 . 2]" 1
385 1 79 LYS QB 1 80 VAL H 4.160 . 4.160 2.802 2.692 2.883 . 0 0 "[ . 1 . 2]" 1
386 1 80 VAL H 1 80 VAL MG1 4.240 . 4.240 3.776 3.773 3.778 . 0 0 "[ . 1 . 2]" 1
387 1 35 PHE H 1 36 ALA H 4.120 . 4.120 2.813 2.775 2.844 . 0 0 "[ . 1 . 2]" 1
388 1 18 LEU HA 1 21 GLN H 4.210 . 4.210 3.579 3.417 3.700 . 0 0 "[ . 1 . 2]" 1
389 1 20 LEU MD2 1 21 GLN H 5.110 . 5.110 4.668 4.592 4.738 . 0 0 "[ . 1 . 2]" 1
390 1 30 ARG HB2 1 31 LEU H 4.450 . 4.450 3.946 3.619 4.311 . 0 0 "[ . 1 . 2]" 1
391 1 31 LEU H 1 31 LEU MD2 4.590 . 4.590 4.476 4.273 4.573 . 0 0 "[ . 1 . 2]" 1
392 1 73 THR HA 1 75 GLU H 4.620 . 4.620 4.324 4.179 4.450 . 0 0 "[ . 1 . 2]" 1
393 1 33 CYS HB2 1 34 SER H 5.010 . 5.010 3.594 2.320 4.367 . 0 0 "[ . 1 . 2]" 1
394 1 33 CYS HB3 1 34 SER H 5.010 . 5.010 2.576 2.318 3.602 . 0 0 "[ . 1 . 2]" 1
395 1 75 GLU H 1 75 GLU HG3 4.270 . 4.270 3.475 2.492 4.167 . 0 0 "[ . 1 . 2]" 1
396 1 75 GLU H 1 75 GLU HG2 4.270 . 4.270 3.114 1.968 4.133 . 0 0 "[ . 1 . 2]" 1
397 1 73 THR MG 1 75 GLU H 4.180 . 4.180 3.491 2.494 4.244 0.064 19 0 "[ . 1 . 2]" 1
398 1 54 ASP QB 1 57 LEU H 4.410 . 4.410 2.771 2.365 3.398 . 0 0 "[ . 1 . 2]" 1
399 1 77 GLU H 1 78 GLU HB2 5.500 . 5.500 4.785 4.663 4.891 . 0 0 "[ . 1 . 2]" 1
400 1 77 GLU H 1 81 MET ME 5.500 . 5.500 4.734 4.595 4.954 . 0 0 "[ . 1 . 2]" 1
401 1 80 VAL MG1 1 81 MET H 4.160 . 4.160 3.335 3.222 3.435 . 0 0 "[ . 1 . 2]" 1
402 1 22 LEU HB2 1 23 ARG H 4.380 . 4.380 2.817 2.597 2.995 . 0 0 "[ . 1 . 2]" 1
403 1 25 ASP HA 1 28 ALA H 4.820 . 4.820 3.624 3.540 3.688 . 0 0 "[ . 1 . 2]" 1
404 1 71 ASN H 1 71 ASN HB2 4.110 . 4.110 2.530 2.312 3.694 . 0 0 "[ . 1 . 2]" 1
405 1 17 TYR H 1 17 TYR QD 4.090 . 4.090 2.826 1.993 3.324 . 0 0 "[ . 1 . 2]" 1
406 1 16 TYR QD 1 17 TYR H 4.120 . 4.120 3.787 3.729 3.890 . 0 0 "[ . 1 . 2]" 1
407 1 18 LEU MD2 1 19 CYS H 4.530 . 4.530 4.314 4.281 4.358 . 0 0 "[ . 1 . 2]" 1
408 1 17 TYR H 1 20 LEU MD1 4.910 . 4.910 4.185 3.658 4.712 . 0 0 "[ . 1 . 2]" 1
409 1 49 GLU HB2 1 50 LEU H 4.510 . 4.510 2.997 2.838 3.144 . 0 0 "[ . 1 . 2]" 1
410 1 50 LEU H 1 50 LEU MD2 4.270 . 4.270 4.149 4.099 4.201 . 0 0 "[ . 1 . 2]" 1
411 1 70 PRO HG3 1 71 ASN H 4.120 . 4.120 3.705 3.585 4.107 . 0 0 "[ . 1 . 2]" 1
412 1 24 GLN HA 1 28 ALA H 4.630 . 4.630 4.280 4.070 4.451 . 0 0 "[ . 1 . 2]" 1
413 1 13 ILE HB 1 14 THR H 4.160 . 4.160 2.488 2.400 2.730 . 0 0 "[ . 1 . 2]" 1
414 1 13 ILE MG 1 14 THR H 4.200 . 4.200 3.354 3.279 3.388 . 0 0 "[ . 1 . 2]" 1
415 1 83 LEU H 1 85 LYS H 5.100 . 5.100 4.566 4.493 4.622 . 0 0 "[ . 1 . 2]" 1
416 1 84 HIS HD2 1 85 LYS H 5.380 . 5.380 3.997 3.474 4.359 . 0 0 "[ . 1 . 2]" 1
417 1 84 HIS HB2 1 85 LYS H 4.220 . 4.220 3.647 3.599 3.746 . 0 0 "[ . 1 . 2]" 1
418 1 85 LYS H 1 85 LYS HG3 4.770 . 4.770 3.793 2.007 4.610 . 0 0 "[ . 1 . 2]" 1
419 1 47 GLN H 1 49 GLU H 4.140 . 4.140 3.961 3.934 3.997 . 0 0 "[ . 1 . 2]" 1
420 1 46 ILE HA 1 49 GLU H 4.270 . 4.270 3.278 3.197 3.341 . 0 0 "[ . 1 . 2]" 1
421 1 92 PRO QB 1 93 ALA H 4.120 . 4.120 2.543 2.141 2.846 . 0 0 "[ . 1 . 2]" 1
422 1 72 GLN HG2 1 73 THR H 4.200 . 4.200 3.436 3.245 3.668 . 0 0 "[ . 1 . 2]" 1
423 1 72 GLN HG3 1 73 THR H 4.250 . 4.250 3.344 3.121 3.474 . 0 0 "[ . 1 . 2]" 1
424 1 73 THR H 1 76 LEU HB2 4.260 . 4.260 3.236 3.073 3.397 . 0 0 "[ . 1 . 2]" 1
425 1 86 SER H 1 86 SER HB3 4.120 . 4.120 2.723 2.252 3.571 . 0 0 "[ . 1 . 2]" 1
426 1 85 LYS HB2 1 86 SER H 4.960 . 4.960 3.628 2.936 4.078 . 0 0 "[ . 1 . 2]" 1
427 1 85 LYS HB3 1 86 SER H 4.960 . 4.960 3.230 2.767 4.108 . 0 0 "[ . 1 . 2]" 1
428 1 9 LEU HB2 1 10 THR H 4.780 . 4.780 3.701 2.099 4.441 . 0 0 "[ . 1 . 2]" 1
429 1 9 LEU MD2 1 10 THR H 4.510 . 4.510 3.665 2.826 4.522 0.012 19 0 "[ . 1 . 2]" 1
430 1 63 VAL HB 1 64 SER H 4.120 . 4.120 3.203 2.859 3.604 . 0 0 "[ . 1 . 2]" 1
431 1 63 VAL MG2 1 64 SER H 4.110 . 4.110 3.867 3.720 4.068 . 0 0 "[ . 1 . 2]" 1
432 1 106 LEU QB 1 107 SER H 4.170 . 4.170 3.291 3.078 3.598 . 0 0 "[ . 1 . 2]" 1
433 1 51 GLY H 1 52 ASP H 4.550 . 4.550 4.445 4.211 4.609 0.059 14 0 "[ . 1 . 2]" 1
434 1 49 GLU H 1 51 GLY H 4.280 . 4.280 3.486 3.430 3.534 . 0 0 "[ . 1 . 2]" 1
435 1 50 LEU HB2 1 51 GLY H 4.210 . 4.210 3.542 3.513 3.572 . 0 0 "[ . 1 . 2]" 1
436 1 50 LEU HB3 1 51 GLY H 4.350 . 4.350 4.344 4.304 4.367 0.017 4 0 "[ . 1 . 2]" 1
437 1 59 GLY H 1 60 VAL H 4.240 . 4.240 3.539 2.244 4.254 0.014 3 0 "[ . 1 . 2]" 1
438 1 40 LEU MD2 1 42 GLY H 5.370 . 5.370 4.538 4.458 4.633 . 0 0 "[ . 1 . 2]" 1
439 1 42 GLY H 1 80 VAL MG2 5.040 . 5.040 4.498 4.131 4.814 . 0 0 "[ . 1 . 2]" 1
440 1 33 CYS H 1 38 LEU MD2 5.030 . 5.030 4.799 4.263 5.032 0.002 11 0 "[ . 1 . 2]" 1
441 1 28 ALA H 1 29 GLY H 3.600 . 3.600 2.544 2.477 2.593 . 0 0 "[ . 1 . 2]" 1
442 1 90 MET H 1 90 MET HG2 4.630 . 4.630 4.531 4.360 4.646 0.016 8 0 "[ . 1 . 2]" 1
443 1 41 LEU HA 1 44 TYR H 4.810 . 4.810 3.736 3.634 3.792 . 0 0 "[ . 1 . 2]" 1
444 1 99 PHE H 1 101 GLU H 4.400 . 4.400 4.054 3.944 4.118 . 0 0 "[ . 1 . 2]" 1
445 1 99 PHE H 1 99 PHE QD 4.320 . 4.320 4.120 4.058 4.165 . 0 0 "[ . 1 . 2]" 1
446 1 96 ASP HA 1 99 PHE H 4.310 . 4.310 4.027 3.955 4.172 . 0 0 "[ . 1 . 2]" 1
447 1 71 ASN H 1 72 GLN H 4.310 . 4.310 3.537 3.249 3.820 . 0 0 "[ . 1 . 2]" 1
448 1 72 GLN H 1 72 GLN HG3 4.980 . 4.980 4.354 4.213 4.448 . 0 0 "[ . 1 . 2]" 1
449 1 90 MET ME 1 95 ALA H 5.410 . 5.410 4.711 4.204 5.123 . 0 0 "[ . 1 . 2]" 1
450 1 93 ALA MB 1 95 ALA H 4.620 . 4.620 4.591 4.506 4.633 0.013 12 0 "[ . 1 . 2]" 1
451 1 18 LEU H 1 18 LEU MD2 4.340 . 4.340 4.131 4.061 4.199 . 0 0 "[ . 1 . 2]" 1
452 1 38 LEU H 1 38 LEU HG 4.390 . 4.390 2.618 2.464 2.748 . 0 0 "[ . 1 . 2]" 1
453 1 67 LYS H 1 68 LEU H 4.370 . 4.370 4.168 3.944 4.291 . 0 0 "[ . 1 . 2]" 1
454 1 66 PHE QD 1 67 LYS H 4.320 . 4.320 4.192 3.803 4.330 0.010 1 0 "[ . 1 . 2]" 1
455 1 67 LYS H 1 68 LEU HG 4.930 . 4.930 4.675 4.267 4.859 . 0 0 "[ . 1 . 2]" 1
456 1 90 MET H 1 91 THR H 4.630 . 4.630 4.556 4.468 4.623 . 0 0 "[ . 1 . 2]" 1
457 1 10 THR HB 1 11 GLU H 4.330 . 4.330 2.973 2.354 3.429 . 0 0 "[ . 1 . 2]" 1
458 1 7 ALA H 1 8 GLN QG 4.570 . 4.570 3.848 3.110 4.482 . 0 0 "[ . 1 . 2]" 1
459 1 7 ALA H 1 9 LEU MD2 4.810 . 4.810 4.313 3.835 4.812 0.002 19 0 "[ . 1 . 2]" 1
460 1 25 ASP H 1 27 VAL MG2 5.060 . 5.060 4.050 3.855 4.219 . 0 0 "[ . 1 . 2]" 1
461 1 74 LYS H 1 74 LYS QD 4.380 . 4.380 3.574 1.977 4.395 0.015 9 0 "[ . 1 . 2]" 1
462 1 7 ALA MB 1 9 LEU H 4.350 . 4.350 3.602 2.127 4.365 0.015 16 0 "[ . 1 . 2]" 1
463 1 53 TYR H 1 53 TYR QD 4.340 . 4.340 4.195 4.125 4.273 . 0 0 "[ . 1 . 2]" 1
464 1 44 TYR HB2 1 45 THR H 4.340 . 4.340 2.639 2.573 2.741 . 0 0 "[ . 1 . 2]" 1
465 1 15 ARG H 1 15 ARG QG 4.320 . 4.320 3.777 2.712 3.981 . 0 0 "[ . 1 . 2]" 1
466 1 73 THR MG 1 76 LEU H 4.330 . 4.330 3.064 1.954 4.367 0.037 15 0 "[ . 1 . 2]" 1
467 1 76 LEU H 1 76 LEU HG 4.640 . 4.640 4.408 4.382 4.428 . 0 0 "[ . 1 . 2]" 1
468 1 76 LEU H 1 76 LEU MD1 4.340 . 4.340 4.107 4.080 4.173 . 0 0 "[ . 1 . 2]" 1
469 1 79 LYS H 1 79 LYS HD3 4.840 . 4.840 4.128 3.340 4.812 . 0 0 "[ . 1 . 2]" 1
470 1 79 LYS H 1 79 LYS HG3 4.700 . 4.700 4.433 4.339 4.493 . 0 0 "[ . 1 . 2]" 1
471 1 15 ARG HB3 1 16 TYR H 4.570 . 4.570 2.560 2.364 3.832 . 0 0 "[ . 1 . 2]" 1
472 1 39 ALA H 1 76 LEU MD2 4.910 . 4.910 4.684 4.484 4.890 . 0 0 "[ . 1 . 2]" 1
473 1 60 VAL HB 1 61 ASP H 4.310 . 4.310 3.070 2.069 4.263 . 0 0 "[ . 1 . 2]" 1
474 1 83 LEU HB2 1 84 HIS H 4.310 . 4.310 2.728 2.631 2.853 . 0 0 "[ . 1 . 2]" 1
475 1 54 ASP QB 1 58 HIS H 4.410 . 4.410 3.657 2.538 4.292 . 0 0 "[ . 1 . 2]" 1
476 1 11 GLU H 1 12 ASP H 4.320 . 4.320 2.725 2.691 2.873 . 0 0 "[ . 1 . 2]" 1
477 1 96 ASP H 1 98 GLU H 4.670 . 4.670 3.988 3.916 4.094 . 0 0 "[ . 1 . 2]" 1
478 1 98 GLU H 1 100 LEU H 5.090 . 5.090 4.164 3.986 4.274 . 0 0 "[ . 1 . 2]" 1
479 1 99 PHE HB2 1 100 LEU H 4.320 . 4.320 3.981 3.922 4.057 . 0 0 "[ . 1 . 2]" 1
480 1 100 LEU HA 1 104 LYS H 4.310 . 4.310 3.908 3.720 3.994 . 0 0 "[ . 1 . 2]" 1
481 1 91 THR H 1 94 GLN H 4.640 . 4.640 3.861 3.750 4.013 . 0 0 "[ . 1 . 2]" 1
482 1 94 GLN H 1 95 ALA MB 4.410 . 4.410 4.370 4.324 4.413 0.003 11 0 "[ . 1 . 2]" 1
483 1 74 LYS QG 1 75 GLU H 4.350 . 4.350 3.439 1.913 4.355 0.005 12 0 "[ . 1 . 2]" 1
484 1 78 GLU H 1 79 LYS QB 4.560 . 4.560 4.531 4.469 4.571 0.011 13 0 "[ . 1 . 2]" 1
485 1 78 GLU HA 1 81 MET H 4.370 . 4.370 3.573 3.493 3.664 . 0 0 "[ . 1 . 2]" 1
486 1 80 VAL MG2 1 81 MET H 4.320 . 4.320 3.749 3.691 3.804 . 0 0 "[ . 1 . 2]" 1
487 1 63 VAL MG2 1 81 MET H 4.410 . 4.410 3.375 3.106 3.752 . 0 0 "[ . 1 . 2]" 1
488 1 43 SER H 1 83 LEU MD1 4.300 . 4.300 3.806 3.519 4.102 . 0 0 "[ . 1 . 2]" 1
489 1 23 ARG H 1 23 ARG HG2 4.660 . 4.660 4.151 3.454 4.590 . 0 0 "[ . 1 . 2]" 1
490 1 22 LEU HB3 1 23 ARG H 4.380 . 4.380 3.151 2.898 3.616 . 0 0 "[ . 1 . 2]" 1
491 1 104 LYS HA 1 108 MET H 4.330 . 4.330 3.810 3.268 4.279 . 0 0 "[ . 1 . 2]" 1
492 1 18 LEU HG 1 19 CYS H 4.320 . 4.320 4.334 4.319 4.346 0.026 1 0 "[ . 1 . 2]" 1
493 1 50 LEU H 1 50 LEU MD1 4.380 . 4.380 2.775 2.395 3.184 . 0 0 "[ . 1 . 2]" 1
494 1 70 PRO HD3 1 71 ASN H 4.540 . 4.540 3.878 3.794 3.974 . 0 0 "[ . 1 . 2]" 1
495 1 92 PRO HG2 1 93 ALA H 4.380 . 4.380 2.622 2.125 3.764 . 0 0 "[ . 1 . 2]" 1
496 1 72 GLN HB2 1 73 THR H 4.690 . 4.690 4.410 4.338 4.495 . 0 0 "[ . 1 . 2]" 1
497 1 105 LYS HA 1 107 SER H 4.320 . 4.320 3.882 3.533 4.234 . 0 0 "[ . 1 . 2]" 1
498 1 106 LEU MD1 1 107 SER H 5.400 . 5.400 4.963 4.313 5.410 0.010 18 0 "[ . 1 . 2]" 1
499 1 106 LEU MD2 1 107 SER H 5.500 . 5.500 4.726 4.210 5.404 . 0 0 "[ . 1 . 2]" 1
500 1 47 GLN QB 1 48 SER H 4.300 . 4.300 2.679 2.633 2.767 . 0 0 "[ . 1 . 2]" 1
501 1 39 ALA HA 1 42 GLY H 4.370 . 4.370 3.575 3.529 3.645 . 0 0 "[ . 1 . 2]" 1
502 1 26 ILE HA 1 29 GLY H 4.350 . 4.350 3.591 3.468 3.677 . 0 0 "[ . 1 . 2]" 1
503 1 47 GLN QB 1 47 GLN HE22 4.900 . 4.900 4.110 3.642 4.294 . 0 0 "[ . 1 . 2]" 1
504 1 104 LYS H 1 104 LYS HB2 3.780 . 3.780 2.235 2.075 2.487 . 0 0 "[ . 1 . 2]" 1
505 1 78 GLU H 1 78 GLU HB2 3.440 . 3.440 2.404 2.282 2.545 . 0 0 "[ . 1 . 2]" 1
506 1 101 GLU HB2 1 102 ASN H 4.230 . 4.230 3.597 2.850 4.010 . 0 0 "[ . 1 . 2]" 1
507 1 8 GLN H 1 9 LEU MD2 4.500 . 4.500 3.368 2.744 4.185 . 0 0 "[ . 1 . 2]" 1
508 1 88 ARG H 1 90 MET H 5.430 . 5.430 4.455 3.261 4.906 . 0 0 "[ . 1 . 2]" 1
509 1 88 ARG QB 1 90 MET H 5.500 . 5.500 4.776 4.217 5.552 0.052 17 0 "[ . 1 . 2]" 1
510 1 90 MET H 1 90 MET ME 5.500 . 5.500 4.430 3.997 4.773 . 0 0 "[ . 1 . 2]" 1
511 1 4 MET HG2 1 5 ASP H 5.500 . 5.500 3.669 1.995 5.136 . 0 0 "[ . 1 . 2]" 1
512 1 4 MET HG3 1 5 ASP H 5.500 . 5.500 4.063 2.027 5.489 . 0 0 "[ . 1 . 2]" 1
513 1 40 LEU MD2 1 44 TYR H 4.580 . 4.580 4.453 4.331 4.582 0.002 15 0 "[ . 1 . 2]" 1
514 1 70 PRO HA 1 72 GLN H 4.530 . 4.530 4.525 4.478 4.536 0.006 10 0 "[ . 1 . 2]" 1
515 1 71 ASN HB3 1 72 GLN H 4.730 . 4.730 4.315 4.227 4.636 . 0 0 "[ . 1 . 2]" 1
516 1 68 LEU H 1 68 LEU MD1 4.450 . 4.450 3.170 2.295 3.525 . 0 0 "[ . 1 . 2]" 1
517 1 11 GLU QB 1 13 ILE H 5.080 . 5.080 4.969 4.905 5.110 0.030 16 0 "[ . 1 . 2]" 1
518 1 99 PHE QD 1 103 ALA H 5.400 . 5.400 4.448 4.336 4.565 . 0 0 "[ . 1 . 2]" 1
519 1 103 ALA H 1 106 LEU H 5.500 . 5.500 4.850 4.546 5.104 . 0 0 "[ . 1 . 2]" 1
520 1 25 ASP H 1 26 ILE MD 5.500 . 5.500 4.527 4.387 4.810 . 0 0 "[ . 1 . 2]" 1
521 1 8 GLN QG 1 9 LEU H 4.550 . 4.550 4.410 3.112 4.558 0.008 8 0 "[ . 1 . 2]" 1
522 1 12 ASP HA 1 15 ARG H 4.480 . 4.480 3.820 3.680 3.989 . 0 0 "[ . 1 . 2]" 1
523 1 72 GLN HG3 1 76 LEU H 5.240 . 5.240 5.239 5.166 5.253 0.013 15 0 "[ . 1 . 2]" 1
524 1 79 LYS H 1 79 LYS HG2 4.700 . 4.700 4.564 4.378 4.637 . 0 0 "[ . 1 . 2]" 1
525 1 108 MET HB2 1 109 TYR H 4.590 . 4.590 3.102 2.617 4.483 . 0 0 "[ . 1 . 2]" 1
526 1 97 LEU MD1 1 101 GLU H 5.240 . 5.240 3.954 3.437 4.750 . 0 0 "[ . 1 . 2]" 1
527 1 100 LEU MD1 1 101 GLU H 5.500 . 5.500 4.619 4.444 4.749 . 0 0 "[ . 1 . 2]" 1
528 1 35 PHE HA 1 39 ALA H 4.580 . 4.580 4.031 3.991 4.108 . 0 0 "[ . 1 . 2]" 1
529 1 36 ALA MB 1 39 ALA H 4.860 . 4.860 4.747 4.697 4.794 . 0 0 "[ . 1 . 2]" 1
530 1 83 LEU MD1 1 84 HIS H 4.490 . 4.490 4.465 4.371 4.503 0.013 1 0 "[ . 1 . 2]" 1
531 1 102 ASN HA 1 105 LYS H 4.430 . 4.430 3.464 3.397 3.711 . 0 0 "[ . 1 . 2]" 1
532 1 105 LYS H 1 105 LYS HG3 4.770 . 4.770 3.789 2.802 4.482 . 0 0 "[ . 1 . 2]" 1
533 1 20 LEU H 1 22 LEU H 4.560 . 4.560 4.236 4.080 4.329 . 0 0 "[ . 1 . 2]" 1
534 1 11 GLU QG 1 12 ASP H 4.540 . 4.540 3.728 1.915 4.456 . 0 0 "[ . 1 . 2]" 1
535 1 10 THR MG 1 12 ASP H 5.500 . 5.500 5.173 4.757 5.505 0.005 16 0 "[ . 1 . 2]" 1
536 1 95 ALA HA 1 98 GLU H 4.450 . 4.450 3.287 3.204 3.531 . 0 0 "[ . 1 . 2]" 1
537 1 40 LEU H 1 83 LEU MD1 4.720 . 4.720 3.912 3.602 4.254 . 0 0 "[ . 1 . 2]" 1
538 1 100 LEU H 1 103 ALA MB 5.010 . 5.010 4.776 4.685 4.848 . 0 0 "[ . 1 . 2]" 1
539 1 96 ASP H 1 98 GLU QB 5.500 . 5.500 4.751 4.592 5.510 0.010 16 0 "[ . 1 . 2]" 1
540 1 98 GLU QB 1 100 LEU H 5.500 . 5.500 4.632 4.488 5.249 . 0 0 "[ . 1 . 2]" 1
541 1 88 ARG H 1 89 SER H 4.460 . 4.460 3.753 1.841 4.442 . 0 0 "[ . 1 . 2]" 1
542 1 88 ARG H 1 88 ARG QD 4.430 . 4.430 3.894 2.593 4.446 0.016 8 0 "[ . 1 . 2]" 1
543 1 17 TYR HA 1 21 GLN H 4.510 . 4.510 4.148 3.995 4.323 . 0 0 "[ . 1 . 2]" 1
544 1 29 GLY H 1 31 LEU H 4.570 . 4.570 4.220 4.073 4.389 . 0 0 "[ . 1 . 2]" 1
545 1 30 ARG HB3 1 31 LEU H 4.450 . 4.450 3.941 3.577 4.376 . 0 0 "[ . 1 . 2]" 1
546 1 37 THR MG 1 41 LEU H 4.540 . 4.540 3.463 3.369 3.607 . 0 0 "[ . 1 . 2]" 1
547 1 75 GLU H 1 77 GLU H 4.500 . 4.500 4.059 3.937 4.196 . 0 0 "[ . 1 . 2]" 1
548 1 74 LYS QD 1 75 GLU H 5.140 . 5.140 4.257 3.368 5.062 . 0 0 "[ . 1 . 2]" 1
549 1 62 TYR H 1 62 TYR QE 4.580 . 4.580 3.929 3.829 4.129 . 0 0 "[ . 1 . 2]" 1
550 1 76 LEU MD2 1 77 GLU H 4.510 . 4.510 4.284 4.080 4.432 . 0 0 "[ . 1 . 2]" 1
551 1 78 GLU H 1 81 MET H 5.100 . 5.100 4.990 4.939 5.027 . 0 0 "[ . 1 . 2]" 1
552 1 77 GLU HA 1 81 MET H 4.550 . 4.550 4.412 4.301 4.467 . 0 0 "[ . 1 . 2]" 1
553 1 39 ALA HA 1 43 SER H 4.510 . 4.510 3.696 3.508 3.855 . 0 0 "[ . 1 . 2]" 1
554 1 69 ALA H 1 72 GLN HG3 4.710 . 4.710 4.698 4.629 4.720 0.010 7 0 "[ . 1 . 2]" 1
555 1 68 LEU HG 1 69 ALA H 4.430 . 4.430 4.090 3.738 4.432 0.002 15 0 "[ . 1 . 2]" 1
556 1 68 LEU HB2 1 69 ALA H 4.510 . 4.510 3.087 3.017 3.254 . 0 0 "[ . 1 . 2]" 1
557 1 68 LEU MD1 1 69 ALA H 4.490 . 4.490 4.322 3.516 4.504 0.014 7 0 "[ . 1 . 2]" 1
558 1 70 PRO HD2 1 71 ASN H 4.540 . 4.540 2.720 2.418 2.925 . 0 0 "[ . 1 . 2]" 1
559 1 49 GLU HB3 1 50 LEU H 4.510 . 4.510 3.020 2.861 3.207 . 0 0 "[ . 1 . 2]" 1
560 1 46 ILE MG 1 50 LEU H 4.580 . 4.580 3.703 3.631 3.800 . 0 0 "[ . 1 . 2]" 1
561 1 56 GLU H 1 57 LEU HA 5.260 . 5.260 5.199 4.927 5.268 0.008 1 0 "[ . 1 . 2]" 1
562 1 56 GLU H 1 57 LEU HB2 5.060 . 5.060 4.862 4.242 5.061 0.001 6 0 "[ . 1 . 2]" 1
563 1 56 GLU H 1 57 LEU MD1 5.500 . 5.500 5.398 5.169 5.509 0.009 7 0 "[ . 1 . 2]" 1
564 1 49 GLU H 1 50 LEU HB2 4.770 . 4.770 4.847 4.832 4.862 0.092 14 0 "[ . 1 . 2]" 1
565 1 73 THR H 1 74 LYS H 4.530 . 4.530 4.508 4.488 4.545 0.015 20 0 "[ . 1 . 2]" 1
566 1 73 THR H 1 76 LEU H 4.440 . 4.440 3.299 3.175 3.465 . 0 0 "[ . 1 . 2]" 1
567 1 83 LEU H 1 86 SER H 4.840 . 4.840 4.591 4.511 4.713 . 0 0 "[ . 1 . 2]" 1
568 1 63 VAL MG1 1 64 SER H 4.550 . 4.550 4.015 3.835 4.198 . 0 0 "[ . 1 . 2]" 1
569 1 45 THR HA 1 48 SER H 4.550 . 4.550 3.499 3.456 3.555 . 0 0 "[ . 1 . 2]" 1
570 1 47 GLN H 1 51 GLY H 5.500 . 5.500 5.528 5.500 5.544 0.044 10 0 "[ . 1 . 2]" 1
571 1 58 HIS HD2 1 59 GLY H 4.970 . 4.970 4.147 3.352 4.981 0.011 7 0 "[ . 1 . 2]" 1
572 1 58 HIS HB3 1 59 GLY H 4.630 . 4.630 2.515 1.954 4.140 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU HA 1 42 GLY H 4.470 . 4.470 4.140 3.973 4.254 . 0 0 "[ . 1 . 2]" 1
574 1 41 LEU HB2 1 42 GLY H 4.440 . 4.440 2.746 2.714 2.761 . 0 0 "[ . 1 . 2]" 1
575 1 41 LEU MD1 1 42 GLY H 4.570 . 4.570 4.454 4.277 4.565 . 0 0 "[ . 1 . 2]" 1
576 1 33 CYS H 1 34 SER H 4.560 . 4.560 4.412 4.310 4.429 . 0 0 "[ . 1 . 2]" 1
577 1 33 CYS H 1 34 SER HA 4.770 . 4.770 4.771 4.744 4.780 0.010 8 0 "[ . 1 . 2]" 1
578 1 47 GLN HE21 1 52 ASP HA 4.630 . 4.630 2.760 1.997 4.400 . 0 0 "[ . 1 . 2]" 1
579 1 47 GLN HA 1 51 GLY H 4.030 . 4.030 3.659 3.577 3.699 . 0 0 "[ . 1 . 2]" 1
580 1 34 SER HB3 1 35 PHE H 4.310 . 4.310 3.153 2.437 3.846 . 0 0 "[ . 1 . 2]" 1
581 1 16 TYR H 1 16 TYR HB3 3.610 . 3.610 2.607 2.514 2.680 . 0 0 "[ . 1 . 2]" 1
582 1 16 TYR H 1 16 TYR HB2 3.610 . 3.610 2.454 2.387 2.557 . 0 0 "[ . 1 . 2]" 1
583 1 81 MET H 1 81 MET HB2 3.650 . 3.650 2.583 2.296 2.649 . 0 0 "[ . 1 . 2]" 1
584 1 57 LEU H 1 57 LEU MD2 4.330 . 4.330 3.092 1.951 3.578 . 0 0 "[ . 1 . 2]" 1
585 1 38 LEU H 1 38 LEU HB3 3.660 . 3.660 3.551 3.529 3.575 . 0 0 "[ . 1 . 2]" 1
586 1 100 LEU H 1 100 LEU MD2 4.340 . 4.340 3.369 3.185 3.655 . 0 0 "[ . 1 . 2]" 1
587 1 44 TYR H 1 44 TYR QE 5.380 . 5.380 4.928 4.827 5.047 . 0 0 "[ . 1 . 2]" 1
588 1 44 TYR H 1 87 TYR QE 5.500 . 5.500 4.608 4.144 5.141 . 0 0 "[ . 1 . 2]" 1
589 1 47 GLN HE22 1 52 ASP HA 4.630 . 4.630 3.083 2.173 4.274 . 0 0 "[ . 1 . 2]" 1
590 1 5 ASP H 1 6 PRO HD3 5.220 . 5.220 4.581 4.027 5.153 . 0 0 "[ . 1 . 2]" 1
591 1 10 THR H 1 11 GLU H 4.640 . 4.640 2.831 2.694 2.905 . 0 0 "[ . 1 . 2]" 1
592 1 10 THR H 1 13 ILE HB 5.500 . 5.500 5.355 4.965 5.517 0.017 2 0 "[ . 1 . 2]" 1
593 1 11 GLU H 1 11 GLU QG 4.620 . 4.620 2.831 1.917 4.017 . 0 0 "[ . 1 . 2]" 1
594 1 18 LEU HG 1 22 LEU H 4.990 . 4.990 4.786 4.623 4.994 0.004 9 0 "[ . 1 . 2]" 1
595 1 10 THR HA 1 13 ILE H 4.670 . 4.670 3.348 3.254 3.581 . 0 0 "[ . 1 . 2]" 1
596 1 27 VAL H 1 28 ALA MB 4.640 . 4.640 4.366 4.301 4.431 . 0 0 "[ . 1 . 2]" 1
597 1 19 CYS H 1 21 GLN H 4.690 . 4.690 4.328 4.105 4.475 . 0 0 "[ . 1 . 2]" 1
598 1 71 ASN H 1 72 GLN HA 5.190 . 5.190 4.653 4.404 4.960 . 0 0 "[ . 1 . 2]" 1
599 1 103 ALA MB 1 108 MET H 4.900 . 4.900 3.944 3.591 4.466 . 0 0 "[ . 1 . 2]" 1
600 1 38 LEU MD1 1 71 ASN H 4.600 . 4.600 4.597 4.529 4.612 0.012 8 0 "[ . 1 . 2]" 1
601 1 61 ASP HA 1 63 VAL H 4.650 . 4.650 3.288 3.051 3.595 . 0 0 "[ . 1 . 2]" 1
602 1 23 ARG H 1 25 ASP H 4.750 . 4.750 4.228 4.023 4.370 . 0 0 "[ . 1 . 2]" 1
603 1 37 THR H 1 39 ALA MB 4.930 . 4.930 4.962 4.953 4.970 0.040 1 0 "[ . 1 . 2]" 1
604 1 29 GLY H 1 70 PRO HG2 5.500 . 5.500 5.168 4.415 5.476 . 0 0 "[ . 1 . 2]" 1
605 1 26 ILE MG 1 29 GLY H 4.630 . 4.630 4.283 4.204 4.371 . 0 0 "[ . 1 . 2]" 1
606 1 27 VAL MG2 1 29 GLY H 4.640 . 4.640 4.127 4.050 4.189 . 0 0 "[ . 1 . 2]" 1
607 1 25 ASP HA 1 30 ARG H 4.710 . 4.710 3.887 3.608 4.125 . 0 0 "[ . 1 . 2]" 1
608 1 76 LEU MD1 1 80 VAL H 4.620 . 4.620 4.056 3.907 4.376 . 0 0 "[ . 1 . 2]" 1
609 1 34 SER H 1 37 THR MG 4.640 . 4.640 3.709 3.513 3.935 . 0 0 "[ . 1 . 2]" 1
610 1 76 LEU MD1 1 77 GLU H 4.690 . 4.690 4.342 4.217 4.469 . 0 0 "[ . 1 . 2]" 1
611 1 74 LYS QG 1 77 GLU H 5.500 . 5.500 5.255 5.023 5.506 0.006 10 0 "[ . 1 . 2]" 1
612 1 79 LYS H 1 81 MET H 4.670 . 4.670 4.529 4.415 4.595 . 0 0 "[ . 1 . 2]" 1
613 1 34 SER HA 1 36 ALA H 5.000 . 5.000 4.567 4.490 4.667 . 0 0 "[ . 1 . 2]" 1
614 1 37 THR MG 1 39 ALA H 5.500 . 5.500 5.154 5.063 5.210 . 0 0 "[ . 1 . 2]" 1
615 1 57 LEU HG 1 58 HIS H 5.500 . 5.500 4.344 3.907 5.296 . 0 0 "[ . 1 . 2]" 1
616 1 36 ALA H 1 39 ALA H 5.040 . 5.040 4.827 4.780 4.869 . 0 0 "[ . 1 . 2]" 1
617 1 93 ALA H 1 95 ALA MB 5.020 . 5.020 5.022 4.987 5.032 0.012 1 0 "[ . 1 . 2]" 1
618 1 48 SER HA 1 50 LEU H 5.210 . 5.210 4.601 4.486 4.745 . 0 0 "[ . 1 . 2]" 1
619 1 46 ILE HA 1 50 LEU H 4.650 . 4.650 3.765 3.694 3.851 . 0 0 "[ . 1 . 2]" 1
620 1 50 LEU MD1 1 51 GLY H 4.720 . 4.720 4.483 4.237 4.723 0.003 2 0 "[ . 1 . 2]" 1
621 1 66 PHE H 1 67 LYS H 4.600 . 4.600 4.439 4.309 4.598 . 0 0 "[ . 1 . 2]" 1
622 1 58 HIS HB2 1 59 GLY H 4.630 . 4.630 3.386 1.995 4.586 . 0 0 "[ . 1 . 2]" 1
623 1 61 ASP H 1 62 TYR HA 5.470 . 5.470 4.999 4.172 5.305 . 0 0 "[ . 1 . 2]" 1
624 1 62 TYR H 1 63 VAL MG2 4.670 . 4.670 3.465 3.264 3.619 . 0 0 "[ . 1 . 2]" 1
625 1 60 VAL HA 1 62 TYR H 4.740 . 4.740 3.536 3.026 4.740 0.000 16 0 "[ . 1 . 2]" 1
626 1 61 ASP HA 1 64 SER H 4.640 . 4.640 3.941 3.319 4.556 . 0 0 "[ . 1 . 2]" 1
627 1 72 GLN HB3 1 73 THR H 4.690 . 4.690 4.148 4.018 4.243 . 0 0 "[ . 1 . 2]" 1
628 1 34 SER H 1 38 LEU MD2 4.890 . 4.890 4.820 4.697 4.893 0.003 8 0 "[ . 1 . 2]" 1
629 1 73 THR HB 1 76 LEU H 4.940 . 4.940 4.480 3.247 4.793 . 0 0 "[ . 1 . 2]" 1
630 1 72 GLN HG2 1 76 LEU H 5.380 . 5.380 5.348 5.135 5.390 0.010 14 0 "[ . 1 . 2]" 1
631 1 71 ASN HB2 1 72 GLN H 4.730 . 4.730 4.571 4.288 4.665 . 0 0 "[ . 1 . 2]" 1
632 1 69 ALA MB 1 72 GLN H 4.650 . 4.650 3.940 3.656 4.172 . 0 0 "[ . 1 . 2]" 1
633 1 93 ALA MB 1 97 LEU H 4.770 . 4.770 4.421 4.311 4.677 . 0 0 "[ . 1 . 2]" 1
634 1 83 LEU H 1 83 LEU MD1 3.900 . 3.900 3.346 3.147 3.610 . 0 0 "[ . 1 . 2]" 1
635 1 57 LEU H 1 58 HIS H 3.310 . 3.310 2.347 2.086 2.700 . 0 0 "[ . 1 . 2]" 1
636 1 74 LYS HB3 1 75 GLU H 3.990 . 3.990 3.517 2.627 4.021 0.031 4 0 "[ . 1 . 2]" 1
637 1 43 SER H 1 43 SER HB2 3.980 . 3.980 2.699 2.350 3.583 . 0 0 "[ . 1 . 2]" 1
638 1 50 LEU H 1 50 LEU HG 3.820 . 3.820 2.825 2.717 2.959 . 0 0 "[ . 1 . 2]" 1
639 1 50 LEU H 1 50 LEU HB3 3.850 . 3.850 3.675 3.655 3.697 . 0 0 "[ . 1 . 2]" 1
640 1 20 LEU H 1 20 LEU MD1 4.120 . 4.120 3.590 3.348 3.811 . 0 0 "[ . 1 . 2]" 1
641 1 20 LEU H 1 20 LEU MD2 4.050 . 4.050 3.582 3.281 3.742 . 0 0 "[ . 1 . 2]" 1
642 1 49 GLU H 1 49 GLU HG3 4.650 . 4.650 3.988 3.282 4.444 . 0 0 "[ . 1 . 2]" 1
643 1 91 THR HA 1 93 ALA H 4.650 . 4.650 4.654 4.542 4.685 0.035 17 0 "[ . 1 . 2]" 1
644 1 4 MET ME 1 5 ASP H 4.170 . 4.170 3.482 1.874 4.171 0.001 2 0 "[ . 1 . 2]" 1
645 1 13 ILE H 1 13 ILE HG12 4.100 . 4.100 2.286 1.974 3.411 . 0 0 "[ . 1 . 2]" 1
646 1 19 CYS H 1 100 LEU MD1 5.480 . 5.480 5.170 4.699 5.472 . 0 0 "[ . 1 . 2]" 1
647 1 19 CYS H 1 100 LEU MD2 4.200 . 4.200 3.876 3.558 4.068 . 0 0 "[ . 1 . 2]" 1
648 1 17 TYR H 1 20 LEU HG 5.500 . 5.500 5.205 4.916 5.446 . 0 0 "[ . 1 . 2]" 1
649 1 19 CYS H 1 20 LEU HG 5.500 . 5.500 4.760 4.545 5.058 . 0 0 "[ . 1 . 2]" 1
650 1 101 GLU HB3 1 102 ASN H 4.230 . 4.230 3.108 2.752 3.695 . 0 0 "[ . 1 . 2]" 1
651 1 50 LEU HG 1 51 GLY H 5.070 . 5.070 4.625 4.586 4.670 . 0 0 "[ . 1 . 2]" 1
652 1 64 SER HB2 1 65 ASP H 4.730 . 4.730 3.883 3.287 4.329 . 0 0 "[ . 1 . 2]" 1
653 1 40 LEU HA 1 44 TYR H 4.730 . 4.730 4.266 4.209 4.310 . 0 0 "[ . 1 . 2]" 1
654 1 88 ARG H 1 88 ARG QG 3.680 . 3.680 2.691 1.924 3.683 0.003 9 0 "[ . 1 . 2]" 1
655 1 90 MET H 1 90 MET HG3 4.630 . 4.630 4.507 4.344 4.640 0.010 12 0 "[ . 1 . 2]" 1
656 1 14 THR HA 1 18 LEU H 4.580 . 4.580 4.044 3.880 4.130 . 0 0 "[ . 1 . 2]" 1
657 1 81 MET H 1 81 MET HB3 3.650 . 3.650 3.593 3.552 3.599 . 0 0 "[ . 1 . 2]" 1
658 1 23 ARG H 1 23 ARG HB3 4.050 . 4.050 2.927 2.443 3.364 . 0 0 "[ . 1 . 2]" 1
659 1 23 ARG H 1 23 ARG HB2 4.050 . 4.050 2.244 2.065 2.594 . 0 0 "[ . 1 . 2]" 1
660 1 41 LEU HB3 1 42 GLY H 4.440 . 4.440 3.820 3.762 3.895 . 0 0 "[ . 1 . 2]" 1
661 1 75 GLU HA 1 79 LYS H 4.740 . 4.740 4.027 3.853 4.124 . 0 0 "[ . 1 . 2]" 1
662 1 76 LEU HA 1 79 LYS H 4.910 . 4.910 3.719 3.672 3.761 . 0 0 "[ . 1 . 2]" 1
663 1 90 MET ME 1 90 MET HG3 3.820 . 3.820 3.035 2.189 3.400 . 0 0 "[ . 1 . 2]" 1
664 1 90 MET ME 1 90 MET HG2 3.820 . 3.820 2.789 2.309 3.380 . 0 0 "[ . 1 . 2]" 1
665 1 90 MET HB2 1 90 MET ME 4.050 . 4.050 2.297 1.967 2.618 . 0 0 "[ . 1 . 2]" 1
666 1 47 GLN QB 1 90 MET ME 4.810 . 4.810 4.206 2.713 4.812 0.002 12 0 "[ . 1 . 2]" 1
667 1 60 VAL MG1 1 81 MET ME 5.440 . 5.440 4.468 3.250 5.444 0.004 16 0 "[ . 1 . 2]" 1
668 1 60 VAL MG2 1 81 MET ME 5.500 . 5.500 5.087 4.415 5.503 0.003 18 0 "[ . 1 . 2]" 1
669 1 81 MET H 1 81 MET ME 4.380 . 4.380 3.378 2.796 3.623 . 0 0 "[ . 1 . 2]" 1
670 1 26 ILE MD 1 108 MET ME 3.080 . 3.080 2.569 1.947 3.000 . 0 0 "[ . 1 . 2]" 1
671 1 103 ALA MB 1 108 MET ME 3.910 . 3.910 3.501 2.912 3.911 0.001 1 0 "[ . 1 . 2]" 1
672 1 103 ALA HA 1 108 MET ME 5.500 . 5.500 3.829 2.910 4.262 . 0 0 "[ . 1 . 2]" 1
673 1 44 TYR QE 1 102 ASN HD22 4.510 . 4.510 3.751 3.354 4.205 . 0 0 "[ . 1 . 2]" 1
674 1 44 TYR QE 1 102 ASN HD21 4.510 . 4.510 4.077 3.602 4.512 0.002 20 0 "[ . 1 . 2]" 1
675 1 104 LYS H 1 109 TYR QE 4.090 . 4.090 3.204 2.430 3.769 . 0 0 "[ . 1 . 2]" 1
676 1 100 LEU HA 1 109 TYR QE 4.860 . 4.860 4.138 3.666 4.860 . 0 0 "[ . 1 . 2]" 1
677 1 53 TYR QE 1 55 PRO HB2 4.500 . 4.500 4.137 3.719 4.507 0.007 13 0 "[ . 1 . 2]" 1
678 1 17 TYR QE 1 20 LEU MD1 4.500 . 4.500 3.816 3.341 4.449 . 0 0 "[ . 1 . 2]" 1
679 1 83 LEU MD1 1 87 TYR QE 5.190 . 5.190 4.216 3.768 4.882 . 0 0 "[ . 1 . 2]" 1
680 1 44 TYR QD 1 90 MET ME 4.220 . 4.220 3.217 2.553 4.018 . 0 0 "[ . 1 . 2]" 1
681 1 22 LEU MD2 1 109 TYR QD 4.880 . 4.880 3.138 2.007 4.217 . 0 0 "[ . 1 . 2]" 1
682 1 18 LEU MD1 1 109 TYR QD 4.240 . 4.240 3.228 2.480 4.085 . 0 0 "[ . 1 . 2]" 1
683 1 22 LEU MD1 1 109 TYR QD 4.880 . 4.880 3.011 2.063 3.639 . 0 0 "[ . 1 . 2]" 1
684 1 18 LEU MD2 1 109 TYR QD 5.100 . 5.100 3.273 2.182 3.988 . 0 0 "[ . 1 . 2]" 1
685 1 103 ALA MB 1 109 TYR QD 3.820 . 3.820 3.279 2.669 3.826 0.006 9 0 "[ . 1 . 2]" 1
686 1 16 TYR QD 1 17 TYR QE 4.060 . 4.060 3.374 2.431 4.056 . 0 0 "[ . 1 . 2]" 1
687 1 35 PHE H 1 35 PHE QD 4.660 . 4.660 4.169 4.155 4.181 . 0 0 "[ . 1 . 2]" 1
688 1 17 TYR QD 1 18 LEU H 4.660 . 4.660 4.517 4.311 4.643 . 0 0 "[ . 1 . 2]" 1
689 1 35 PHE QD 1 76 LEU H 4.640 . 4.640 4.567 4.395 4.647 0.007 20 0 "[ . 1 . 2]" 1
690 1 17 TYR QD 1 20 LEU MD1 4.260 . 4.260 2.888 2.119 3.981 . 0 0 "[ . 1 . 2]" 1
691 1 44 TYR QD 1 99 PHE HA 4.510 . 4.510 3.628 3.203 4.518 0.008 16 0 "[ . 1 . 2]" 1
692 1 65 ASP H 1 66 PHE QD 3.910 . 3.910 3.535 3.196 3.905 . 0 0 "[ . 1 . 2]" 1
693 1 46 ILE MD 1 49 GLU HB2 5.050 . 5.050 3.671 3.566 3.869 . 0 0 "[ . 1 . 2]" 1
694 1 46 ILE MD 1 66 PHE HB2 4.360 . 4.360 2.247 1.924 2.805 . 0 0 "[ . 1 . 2]" 1
695 1 46 ILE H 1 46 ILE MD 4.150 . 4.150 3.428 3.337 3.529 . 0 0 "[ . 1 . 2]" 1
696 1 13 ILE H 1 13 ILE MD 4.370 . 4.370 3.217 2.963 3.815 . 0 0 "[ . 1 . 2]" 1
697 1 23 ARG H 1 26 ILE MD 4.640 . 4.640 3.688 3.477 4.082 . 0 0 "[ . 1 . 2]" 1
698 1 46 ILE MG 1 50 LEU MD2 4.050 . 4.050 3.790 3.545 4.024 . 0 0 "[ . 1 . 2]" 1
699 1 46 ILE MG 1 68 LEU MD2 4.560 . 4.560 4.230 3.884 4.518 . 0 0 "[ . 1 . 2]" 1
700 1 46 ILE MG 1 80 VAL MG1 4.100 . 4.100 3.122 2.899 3.322 . 0 0 "[ . 1 . 2]" 1
701 1 93 ALA MB 1 94 GLN H 3.590 . 3.590 2.629 2.416 2.738 . 0 0 "[ . 1 . 2]" 1
702 1 99 PHE QE 1 103 ALA MB 4.300 . 4.300 3.144 2.952 3.375 . 0 0 "[ . 1 . 2]" 1
703 1 35 PHE HA 1 36 ALA MB 5.110 . 5.110 5.029 5.021 5.034 . 0 0 "[ . 1 . 2]" 1
704 1 22 LEU MD2 1 103 ALA MB 3.740 . 3.740 2.441 1.952 3.482 . 0 0 "[ . 1 . 2]" 1
705 1 39 ALA MB 1 79 LYS HG2 4.040 . 4.040 2.377 1.915 2.681 . 0 0 "[ . 1 . 2]" 1
706 1 13 ILE HG12 1 13 ILE MG 3.680 . 3.680 3.063 2.508 3.203 . 0 0 "[ . 1 . 2]" 1
707 1 39 ALA MB 1 79 LYS HG3 4.040 . 4.040 2.993 2.728 3.490 . 0 0 "[ . 1 . 2]" 1
708 1 47 GLN QB 1 95 ALA MB 3.970 . 3.970 2.999 2.742 3.543 . 0 0 "[ . 1 . 2]" 1
709 1 22 LEU HG 1 103 ALA MB 4.260 . 4.260 4.169 2.362 4.278 0.018 9 0 "[ . 1 . 2]" 1
710 1 103 ALA MB 1 106 LEU QB 5.000 . 5.000 4.088 3.545 4.247 . 0 0 "[ . 1 . 2]" 1
711 1 28 ALA H 1 28 ALA MB 3.070 . 3.070 2.164 2.086 2.273 . 0 0 "[ . 1 . 2]" 1
712 1 60 VAL H 1 60 VAL MG1 4.240 . 4.240 3.498 2.953 4.094 . 0 0 "[ . 1 . 2]" 1
713 1 60 VAL H 1 60 VAL MG2 3.060 . 3.060 2.340 1.955 2.926 . 0 0 "[ . 1 . 2]" 1
714 1 27 VAL MG2 1 28 ALA MB 3.790 . 3.790 2.862 2.697 3.024 . 0 0 "[ . 1 . 2]" 1
715 1 63 VAL MG2 1 80 VAL HB 3.950 . 3.950 2.664 2.395 2.889 . 0 0 "[ . 1 . 2]" 1
716 1 63 VAL H 1 63 VAL MG2 3.490 . 3.490 2.001 1.945 2.126 . 0 0 "[ . 1 . 2]" 1
717 1 43 SER H 1 80 VAL MG1 4.100 . 4.100 3.376 2.679 3.775 . 0 0 "[ . 1 . 2]" 1
718 1 80 VAL MG1 1 81 MET HA 4.340 . 4.340 3.484 3.318 3.629 . 0 0 "[ . 1 . 2]" 1
719 1 41 LEU MD2 1 102 ASN HB2 4.010 . 4.010 2.705 2.209 3.104 . 0 0 "[ . 1 . 2]" 1
720 1 106 LEU QB 1 106 LEU MD2 3.040 . 3.040 2.353 2.064 2.597 . 0 0 "[ . 1 . 2]" 1
721 1 46 ILE HG12 1 80 VAL MG1 4.070 . 4.070 3.042 2.824 3.281 . 0 0 "[ . 1 . 2]" 1
722 1 38 LEU MD1 1 76 LEU MD1 3.620 . 3.620 3.420 3.164 3.603 . 0 0 "[ . 1 . 2]" 1
723 1 63 VAL MG2 1 68 LEU MD2 4.570 . 4.570 4.298 3.835 4.597 0.027 10 0 "[ . 1 . 2]" 1
724 1 46 ILE HG13 1 80 VAL MG1 4.070 . 4.070 2.049 1.948 2.218 . 0 0 "[ . 1 . 2]" 1
725 1 68 LEU MD1 1 80 VAL MG1 4.030 . 4.030 2.142 1.901 2.759 . 0 0 "[ . 1 . 2]" 1
726 1 69 ALA MB 1 76 LEU MD1 4.060 . 4.060 3.567 3.185 3.740 . 0 0 "[ . 1 . 2]" 1
727 1 63 VAL MG1 1 80 VAL MG2 4.090 . 4.090 2.728 2.401 3.286 . 0 0 "[ . 1 . 2]" 1
728 1 41 LEU MD2 1 102 ASN HB3 3.930 . 3.930 2.080 1.906 2.591 . 0 0 "[ . 1 . 2]" 1
729 1 97 LEU HB2 1 97 LEU MD2 3.380 . 3.380 2.334 2.213 2.433 . 0 0 "[ . 1 . 2]" 1
730 1 97 LEU HB3 1 97 LEU MD2 3.380 . 3.380 2.328 2.265 2.434 . 0 0 "[ . 1 . 2]" 1
731 1 69 ALA MB 1 70 PRO HG3 4.430 . 4.430 4.286 4.179 4.431 0.001 15 0 "[ . 1 . 2]" 1
732 1 100 LEU HA 1 100 LEU MD2 3.370 . 3.370 2.010 1.929 2.296 . 0 0 "[ . 1 . 2]" 1
733 1 24 GLN HA 1 27 VAL MG2 3.300 . 3.300 2.096 1.957 2.221 . 0 0 "[ . 1 . 2]" 1
734 1 27 VAL H 1 27 VAL MG2 3.500 . 3.500 2.082 1.960 2.303 . 0 0 "[ . 1 . 2]" 1
735 1 38 LEU H 1 76 LEU MD1 4.700 . 4.700 4.485 4.288 4.575 . 0 0 "[ . 1 . 2]" 1
736 1 38 LEU H 1 38 LEU MD1 4.110 . 4.110 3.790 3.645 3.866 . 0 0 "[ . 1 . 2]" 1
737 1 26 ILE H 1 27 VAL MG2 4.020 . 4.020 3.797 3.665 4.016 . 0 0 "[ . 1 . 2]" 1
738 1 18 LEU HA 1 18 LEU MD2 3.950 . 3.950 3.777 3.763 3.795 . 0 0 "[ . 1 . 2]" 1
739 1 105 LYS HA 1 105 LYS HG3 4.070 . 4.070 2.333 2.023 2.889 . 0 0 "[ . 1 . 2]" 1
740 1 37 THR MG 1 108 MET ME 3.940 . 3.940 3.828 3.357 3.944 0.004 20 0 "[ . 1 . 2]" 1
741 1 37 THR MG 1 41 LEU HG 3.940 . 3.940 2.097 1.984 2.234 . 0 0 "[ . 1 . 2]" 1
742 1 26 ILE MD 1 41 LEU MD1 3.460 . 3.460 2.458 2.075 2.879 . 0 0 "[ . 1 . 2]" 1
743 1 68 LEU MD1 1 80 VAL MG2 3.570 . 3.570 1.953 1.794 2.579 0.006 16 0 "[ . 1 . 2]" 1
744 1 38 LEU MD2 1 76 LEU MD2 3.870 . 3.870 3.712 3.488 3.874 0.004 15 0 "[ . 1 . 2]" 1
745 1 14 THR MG 1 18 LEU MD2 3.450 . 3.450 3.461 3.452 3.467 0.017 9 0 "[ . 1 . 2]" 1
746 1 40 LEU HA 1 83 LEU MD1 3.640 . 3.640 2.516 2.083 2.827 . 0 0 "[ . 1 . 2]" 1
747 1 106 LEU QB 1 106 LEU MD1 3.010 . 3.010 1.972 1.912 2.054 . 0 0 "[ . 1 . 2]" 1
748 1 100 LEU HB3 1 100 LEU MD1 3.590 . 3.590 2.335 2.143 2.554 . 0 0 "[ . 1 . 2]" 1
749 1 25 ASP HB3 1 31 LEU MD1 4.630 . 4.630 3.784 2.838 4.085 . 0 0 "[ . 1 . 2]" 1
750 1 31 LEU MD1 1 108 MET ME 3.490 . 3.490 2.682 2.161 3.368 . 0 0 "[ . 1 . 2]" 1
751 1 31 LEU MD1 1 32 PRO QD 4.120 . 4.120 3.921 3.557 4.129 0.009 20 0 "[ . 1 . 2]" 1
752 1 40 LEU H 1 40 LEU MD2 4.580 . 4.580 4.015 3.932 4.116 . 0 0 "[ . 1 . 2]" 1
753 1 46 ILE MD 1 68 LEU MD1 3.720 . 3.720 3.263 2.500 3.726 0.006 13 0 "[ . 1 . 2]" 1
754 1 97 LEU H 1 97 LEU HG 4.820 . 4.820 4.564 4.510 4.597 . 0 0 "[ . 1 . 2]" 1
755 1 74 LYS HA 1 74 LYS QD 4.400 . 4.400 4.011 3.198 4.377 . 0 0 "[ . 1 . 2]" 1
756 1 79 LYS H 1 82 GLU QB 4.950 . 4.950 4.422 4.323 4.478 . 0 0 "[ . 1 . 2]" 1
757 1 15 ARG HB2 1 16 TYR H 4.570 . 4.570 3.546 3.159 4.010 . 0 0 "[ . 1 . 2]" 1
758 1 88 ARG QB 1 88 ARG HE 4.410 . 4.410 3.501 2.297 4.412 0.002 5 0 "[ . 1 . 2]" 1
759 1 27 VAL H 1 27 VAL HB 4.040 . 4.040 3.611 3.603 3.619 . 0 0 "[ . 1 . 2]" 1
760 1 102 ASN HA 1 105 LYS QB 3.730 . 3.730 2.723 2.502 3.098 . 0 0 "[ . 1 . 2]" 1
761 1 21 GLN HA 1 21 GLN HG3 4.140 . 4.140 3.051 2.412 3.783 . 0 0 "[ . 1 . 2]" 1
762 1 21 GLN HA 1 21 GLN HG2 4.140 . 4.140 2.376 2.027 3.837 . 0 0 "[ . 1 . 2]" 1
763 1 21 GLN H 1 21 GLN HG3 4.490 . 4.490 3.423 2.569 4.349 . 0 0 "[ . 1 . 2]" 1
764 1 21 GLN H 1 21 GLN HG2 4.490 . 4.490 3.774 2.177 4.467 . 0 0 "[ . 1 . 2]" 1
765 1 7 ALA MB 1 8 GLN QG 4.600 . 4.600 4.118 3.118 4.603 0.003 11 0 "[ . 1 . 2]" 1
766 1 94 GLN QG 1 97 LEU MD2 4.870 . 4.870 4.352 4.061 4.865 . 0 0 "[ . 1 . 2]" 1
767 1 101 GLU H 1 101 GLU QG 3.960 . 3.960 3.491 2.476 4.009 0.049 15 0 "[ . 1 . 2]" 1
768 1 77 GLU H 1 77 GLU HG2 4.470 . 4.470 3.800 2.825 4.468 . 0 0 "[ . 1 . 2]" 1
769 1 82 GLU H 1 82 GLU HG3 5.060 . 5.060 3.970 3.082 4.427 . 0 0 "[ . 1 . 2]" 1
770 1 66 PHE HB3 1 68 LEU MD2 4.700 . 4.700 2.902 2.277 3.675 . 0 0 "[ . 1 . 2]" 1
771 1 18 LEU HB2 1 19 CYS H 3.990 . 3.990 3.244 3.215 3.354 . 0 0 "[ . 1 . 2]" 1
772 1 38 LEU HB3 1 39 ALA H 4.670 . 4.670 3.291 3.229 3.367 . 0 0 "[ . 1 . 2]" 1
773 1 102 ASN HA 1 105 LYS QE 4.310 . 4.310 3.564 2.021 4.111 . 0 0 "[ . 1 . 2]" 1
774 1 15 ARG HD2 1 100 LEU MD1 5.500 . 5.500 3.111 1.889 4.408 . 0 0 "[ . 1 . 2]" 1
775 1 57 LEU HB2 1 58 HIS H 4.630 . 4.630 2.709 2.479 3.228 . 0 0 "[ . 1 . 2]" 1
776 1 54 ASP HA 1 55 PRO HD3 4.090 . 4.090 2.410 2.030 2.688 . 0 0 "[ . 1 . 2]" 1
777 1 6 PRO HD2 1 7 ALA MB 4.550 . 4.550 3.855 3.600 4.110 . 0 0 "[ . 1 . 2]" 1
778 1 54 ASP HA 1 55 PRO HD2 4.090 . 4.090 2.243 1.951 2.550 . 0 0 "[ . 1 . 2]" 1
779 1 5 ASP HA 1 6 PRO HD2 3.560 . 3.560 2.161 1.983 2.480 . 0 0 "[ . 1 . 2]" 1
780 1 105 LYS QB 1 106 LEU HA 4.530 . 4.530 4.033 3.954 4.202 . 0 0 "[ . 1 . 2]" 1
781 1 93 ALA HA 1 96 ASP H 4.390 . 4.390 3.383 3.251 3.546 . 0 0 "[ . 1 . 2]" 1
782 1 103 ALA HA 1 106 LEU MD2 4.690 . 4.690 4.625 3.817 4.714 0.024 14 0 "[ . 1 . 2]" 1
783 1 4 MET HA 1 4 MET ME 4.480 . 4.480 3.557 2.170 4.399 . 0 0 "[ . 1 . 2]" 1
784 1 41 LEU MD2 1 103 ALA HA 4.590 . 4.590 3.914 3.521 4.379 . 0 0 "[ . 1 . 2]" 1
785 1 12 ASP HA 1 16 TYR H 4.980 . 4.980 4.069 3.826 4.299 . 0 0 "[ . 1 . 2]" 1
786 1 18 LEU HA 1 22 LEU H 4.390 . 4.390 4.078 3.844 4.338 . 0 0 "[ . 1 . 2]" 1
787 1 108 MET HA 1 108 MET HG2 4.110 . 4.110 2.834 2.366 3.676 . 0 0 "[ . 1 . 2]" 1
788 1 108 MET HA 1 108 MET HG3 4.110 . 4.110 3.616 3.111 3.881 . 0 0 "[ . 1 . 2]" 1
789 1 79 LYS HA 1 82 GLU QB 3.790 . 3.790 2.504 2.309 2.712 . 0 0 "[ . 1 . 2]" 1
790 1 38 LEU HA 1 38 LEU MD2 3.140 . 3.140 2.004 1.933 2.103 . 0 0 "[ . 1 . 2]" 1
791 1 94 GLN HA 1 97 LEU MD2 3.750 . 3.750 3.711 3.441 3.765 0.015 16 0 "[ . 1 . 2]" 1
792 1 74 LYS HA 1 74 LYS QG 3.970 . 3.970 2.678 2.051 3.394 . 0 0 "[ . 1 . 2]" 1
793 1 20 LEU QB 1 21 GLN HA 4.460 . 4.460 3.845 3.808 3.902 . 0 0 "[ . 1 . 2]" 1
794 1 24 GLN HA 1 24 GLN HG2 4.130 . 4.130 2.721 2.020 4.142 0.012 19 0 "[ . 1 . 2]" 1
795 1 49 GLU HA 1 49 GLU HG3 4.250 . 4.250 2.933 2.043 3.607 . 0 0 "[ . 1 . 2]" 1
796 1 94 GLN HA 1 97 LEU HB3 3.820 . 3.820 3.185 3.049 3.684 . 0 0 "[ . 1 . 2]" 1
797 1 24 GLN HA 1 26 ILE H 4.770 . 4.770 4.535 4.329 4.766 . 0 0 "[ . 1 . 2]" 1
798 1 97 LEU HA 1 99 PHE H 5.050 . 5.050 4.738 4.648 4.802 . 0 0 "[ . 1 . 2]" 1
799 1 97 LEU HA 1 100 LEU H 5.210 . 5.210 3.707 3.606 3.807 . 0 0 "[ . 1 . 2]" 1
800 1 47 GLN HA 1 49 GLU H 4.840 . 4.840 4.203 4.108 4.299 . 0 0 "[ . 1 . 2]" 1
801 1 24 GLN HA 1 27 VAL H 4.550 . 4.550 3.873 3.729 4.065 . 0 0 "[ . 1 . 2]" 1
802 1 21 GLN HA 1 24 GLN H 4.160 . 4.160 3.497 3.403 3.622 . 0 0 "[ . 1 . 2]" 1
803 1 94 GLN HA 1 97 LEU H 4.570 . 4.570 3.632 3.509 3.746 . 0 0 "[ . 1 . 2]" 1
804 1 84 HIS HA 1 84 HIS HD2 4.220 . 4.220 2.936 2.568 3.487 . 0 0 "[ . 1 . 2]" 1
805 1 17 TYR HA 1 20 LEU QB 3.890 . 3.890 2.562 2.410 2.729 . 0 0 "[ . 1 . 2]" 1
806 1 17 TYR HA 1 20 LEU MD1 4.040 . 4.040 2.355 1.966 2.755 . 0 0 "[ . 1 . 2]" 1
807 1 63 VAL HA 1 66 PHE QE 4.500 . 4.500 4.218 3.837 4.507 0.007 1 0 "[ . 1 . 2]" 1
808 1 10 THR HA 1 13 ILE HB 4.390 . 4.390 2.793 2.571 2.924 . 0 0 "[ . 1 . 2]" 1
809 1 35 PHE HA 1 76 LEU MD1 4.560 . 4.560 3.970 3.659 4.155 . 0 0 "[ . 1 . 2]" 1
810 1 27 VAL HA 1 70 PRO HD2 5.050 . 5.050 3.569 3.362 4.307 . 0 0 "[ . 1 . 2]" 1
811 1 26 ILE HA 1 31 LEU H 4.470 . 4.470 3.727 3.348 3.989 . 0 0 "[ . 1 . 2]" 1
812 1 45 THR HB 1 46 ILE H 4.430 . 4.430 2.675 2.560 3.536 . 0 0 "[ . 1 . 2]" 1
813 1 10 THR HB 1 12 ASP H 5.460 . 5.460 5.019 4.677 5.405 . 0 0 "[ . 1 . 2]" 1
814 1 13 ILE MD 1 17 TYR QD 5.320 . 5.320 4.746 4.376 5.199 . 0 0 "[ . 1 . 2]" 1
815 1 13 ILE MD 1 17 TYR QE 4.480 . 4.480 3.903 3.675 4.481 0.001 15 0 "[ . 1 . 2]" 1
816 1 46 ILE MD 1 63 VAL HB 4.880 . 4.880 4.742 4.331 4.886 0.006 14 0 "[ . 1 . 2]" 1
817 1 63 VAL MG1 1 68 LEU MD2 3.770 . 3.770 2.619 1.990 3.031 . 0 0 "[ . 1 . 2]" 1
818 1 95 ALA HA 1 99 PHE H 5.450 . 5.450 4.119 3.779 4.221 . 0 0 "[ . 1 . 2]" 1
819 1 47 GLN H 1 48 SER HA 5.360 . 5.360 5.321 5.299 5.352 . 0 0 "[ . 1 . 2]" 1
820 1 101 GLU HA 1 102 ASN HB2 5.500 . 5.500 5.534 5.530 5.540 0.040 20 0 "[ . 1 . 2]" 1
821 1 108 MET HA 1 108 MET ME 4.600 . 4.600 4.011 3.395 4.601 0.001 5 0 "[ . 1 . 2]" 1
822 1 31 LEU HA 1 32 PRO QD 3.410 . 3.410 1.994 1.923 2.035 . 0 0 "[ . 1 . 2]" 1
823 1 31 LEU HA 1 31 LEU MD2 3.720 . 3.720 2.963 1.985 3.334 . 0 0 "[ . 1 . 2]" 1
824 1 35 PHE QD 1 76 LEU MD2 4.920 . 4.920 4.442 4.069 4.722 . 0 0 "[ . 1 . 2]" 1
825 1 99 PHE QD 1 103 ALA MB 4.640 . 4.640 3.610 3.438 3.855 . 0 0 "[ . 1 . 2]" 1
826 1 103 ALA MB 1 106 LEU H 5.150 . 5.150 4.489 4.398 4.573 . 0 0 "[ . 1 . 2]" 1
827 1 39 ALA MB 1 83 LEU MD1 3.410 . 3.410 2.426 2.182 2.668 . 0 0 "[ . 1 . 2]" 1
828 1 108 MET H 1 109 TYR QD 4.820 . 4.820 3.221 2.340 3.869 . 0 0 "[ . 1 . 2]" 1
829 1 46 ILE MD 1 80 VAL MG1 3.720 . 3.720 3.031 2.836 3.141 . 0 0 "[ . 1 . 2]" 1
830 1 45 THR MG 1 46 ILE MD 4.000 . 4.000 3.708 2.652 3.957 . 0 0 "[ . 1 . 2]" 1
831 1 46 ILE MD 1 68 LEU MD2 3.610 . 3.610 2.045 1.917 2.267 . 0 0 "[ . 1 . 2]" 1
832 1 46 ILE MD 1 63 VAL MG1 3.570 . 3.570 2.336 1.985 2.759 . 0 0 "[ . 1 . 2]" 1
833 1 46 ILE MD 1 63 VAL HA 4.000 . 4.000 2.988 2.578 3.669 . 0 0 "[ . 1 . 2]" 1
834 1 46 ILE HA 1 46 ILE MD 3.410 . 3.410 2.086 1.981 2.168 . 0 0 "[ . 1 . 2]" 1
835 1 46 ILE MD 1 66 PHE HB3 4.360 . 4.360 2.598 2.271 3.003 . 0 0 "[ . 1 . 2]" 1
836 1 13 ILE HA 1 13 ILE MD 3.960 . 3.960 2.331 1.954 3.720 . 0 0 "[ . 1 . 2]" 1
837 1 26 ILE MD 1 41 LEU MD2 4.350 . 4.350 3.804 3.530 4.354 0.004 20 0 "[ . 1 . 2]" 1
838 1 26 ILE HB 1 26 ILE MD 3.160 . 3.160 2.119 2.084 2.227 . 0 0 "[ . 1 . 2]" 1
839 1 23 ARG HA 1 26 ILE MD 3.880 . 3.880 2.135 1.925 2.621 . 0 0 "[ . 1 . 2]" 1
840 1 26 ILE HA 1 26 ILE MD 4.040 . 4.040 3.901 3.874 3.917 . 0 0 "[ . 1 . 2]" 1
841 1 46 ILE MG 1 50 LEU HG 4.010 . 4.010 3.931 3.711 4.039 0.029 16 0 "[ . 1 . 2]" 1
842 1 45 THR MG 1 46 ILE MG 5.460 . 5.460 5.132 4.156 5.370 . 0 0 "[ . 1 . 2]" 1
843 1 46 ILE MG 1 80 VAL MG2 5.500 . 5.500 5.306 5.089 5.500 0.000 20 0 "[ . 1 . 2]" 1
844 1 46 ILE HA 1 46 ILE MG 3.670 . 3.670 2.455 2.389 2.485 . 0 0 "[ . 1 . 2]" 1
845 1 39 ALA MB 1 76 LEU MD1 3.370 . 3.370 2.036 1.882 2.206 . 0 0 "[ . 1 . 2]" 1
846 1 39 ALA MB 1 83 LEU HG 5.290 . 5.290 4.512 4.126 4.904 . 0 0 "[ . 1 . 2]" 1
847 1 13 ILE HA 1 13 ILE MG 3.630 . 3.630 2.382 2.331 2.476 . 0 0 "[ . 1 . 2]" 1
848 1 36 ALA HA 1 39 ALA MB 3.700 . 3.700 2.928 2.863 2.998 . 0 0 "[ . 1 . 2]" 1
849 1 35 PHE QD 1 39 ALA MB 4.310 . 4.310 3.653 3.478 4.004 . 0 0 "[ . 1 . 2]" 1
850 1 35 PHE HZ 1 39 ALA MB 4.400 . 4.400 3.887 3.690 4.056 . 0 0 "[ . 1 . 2]" 1
851 1 39 ALA MB 1 43 SER H 4.920 . 4.920 4.316 4.234 4.392 . 0 0 "[ . 1 . 2]" 1
852 1 22 LEU MD1 1 103 ALA MB 3.740 . 3.740 2.248 1.925 3.744 0.004 14 0 "[ . 1 . 2]" 1
853 1 41 LEU MD1 1 103 ALA MB 4.110 . 4.110 4.020 3.748 4.115 0.005 2 0 "[ . 1 . 2]" 1
854 1 31 LEU HB2 1 108 MET ME 4.320 . 4.320 3.837 3.252 4.318 . 0 0 "[ . 1 . 2]" 1
855 1 31 LEU HB3 1 108 MET ME 4.320 . 4.320 3.102 2.708 3.433 . 0 0 "[ . 1 . 2]" 1
856 1 41 LEU MD1 1 108 MET ME 3.200 . 3.200 3.024 2.748 3.212 0.012 20 0 "[ . 1 . 2]" 1
857 1 41 LEU MD2 1 108 MET ME 4.650 . 4.650 4.233 3.881 4.646 . 0 0 "[ . 1 . 2]" 1
858 1 47 GLN QG 1 95 ALA MB 4.500 . 4.500 3.438 2.202 4.503 0.003 9 0 "[ . 1 . 2]" 1
859 1 92 PRO QB 1 95 ALA MB 5.020 . 5.020 4.238 4.081 4.353 . 0 0 "[ . 1 . 2]" 1
860 1 100 LEU HA 1 103 ALA MB 3.590 . 3.590 2.821 2.674 3.032 . 0 0 "[ . 1 . 2]" 1
861 1 48 SER QB 1 95 ALA MB 3.820 . 3.820 2.413 1.904 3.407 . 0 0 "[ . 1 . 2]" 1
862 1 22 LEU HA 1 108 MET ME 4.960 . 4.960 4.651 4.100 4.964 0.004 20 0 "[ . 1 . 2]" 1
863 1 26 ILE HA 1 108 MET ME 4.350 . 4.350 4.204 4.013 4.355 0.005 6 0 "[ . 1 . 2]" 1
864 1 93 ALA MB 1 97 LEU MD2 4.340 . 4.340 4.310 4.111 4.348 0.008 16 0 "[ . 1 . 2]" 1
865 1 102 ASN HB3 1 103 ALA MB 4.880 . 4.880 4.068 3.995 4.153 . 0 0 "[ . 1 . 2]" 1
866 1 13 ILE MD 1 13 ILE MG 3.170 . 3.170 2.007 1.924 2.072 . 0 0 "[ . 1 . 2]" 1
867 1 25 ASP HA 1 28 ALA MB 3.600 . 3.600 2.793 2.588 2.966 . 0 0 "[ . 1 . 2]" 1
868 1 46 ILE MD 1 63 VAL MG2 3.750 . 3.750 3.202 2.703 3.493 . 0 0 "[ . 1 . 2]" 1
869 1 80 VAL HA 1 80 VAL MG1 3.730 . 3.730 2.375 2.306 2.432 . 0 0 "[ . 1 . 2]" 1
870 1 40 LEU HA 1 83 LEU MD2 4.630 . 4.630 4.025 3.546 4.423 . 0 0 "[ . 1 . 2]" 1
871 1 83 LEU HA 1 83 LEU MD2 3.100 . 3.100 2.245 1.985 2.468 . 0 0 "[ . 1 . 2]" 1
872 1 63 VAL MG2 1 81 MET HA 4.620 . 4.620 3.559 3.169 3.985 . 0 0 "[ . 1 . 2]" 1
873 1 91 THR HA 1 91 THR MG 3.650 . 3.650 2.297 2.061 2.544 . 0 0 "[ . 1 . 2]" 1
874 1 10 THR HA 1 10 THR MG 3.140 . 3.140 2.298 2.119 2.492 . 0 0 "[ . 1 . 2]" 1
875 1 14 THR HA 1 14 THR MG 3.270 . 3.270 3.224 3.219 3.227 . 0 0 "[ . 1 . 2]" 1
876 1 63 VAL MG2 1 80 VAL MG1 3.810 . 3.810 2.289 1.904 2.780 . 0 0 "[ . 1 . 2]" 1
877 1 14 THR MG 1 18 LEU MD1 4.250 . 4.250 4.253 4.182 4.262 0.012 10 0 "[ . 1 . 2]" 1
878 1 73 THR MG 1 76 LEU MD2 4.370 . 4.370 3.838 3.391 4.385 0.015 15 0 "[ . 1 . 2]" 1
879 1 41 LEU HA 1 41 LEU MD2 3.460 . 3.460 2.151 1.979 2.439 . 0 0 "[ . 1 . 2]" 1
880 1 41 LEU MD2 1 99 PHE HA 3.950 . 3.950 2.555 2.240 3.039 . 0 0 "[ . 1 . 2]" 1
881 1 69 ALA MB 1 72 GLN HA 3.790 . 3.790 3.362 2.851 3.554 . 0 0 "[ . 1 . 2]" 1
882 1 69 ALA MB 1 70 PRO HD2 3.880 . 3.880 1.973 1.910 2.297 . 0 0 "[ . 1 . 2]" 1
883 1 69 ALA MB 1 70 PRO HD3 3.880 . 3.880 3.071 2.347 3.282 . 0 0 "[ . 1 . 2]" 1
884 1 106 LEU HA 1 106 LEU MD2 3.060 . 3.060 2.470 1.897 3.133 0.073 5 0 "[ . 1 . 2]" 1
885 1 69 ALA MB 1 76 LEU MD2 3.260 . 3.260 2.070 1.847 2.265 . 0 0 "[ . 1 . 2]" 1
886 1 100 LEU MD2 1 103 ALA MB 4.880 . 4.880 3.469 3.343 3.660 . 0 0 "[ . 1 . 2]" 1
887 1 13 ILE MG 1 14 THR MG 4.760 . 4.760 4.789 4.773 4.804 0.044 18 0 "[ . 1 . 2]" 1
888 1 38 LEU MD2 1 69 ALA MB 3.330 . 3.330 2.434 2.064 2.771 . 0 0 "[ . 1 . 2]" 1
889 1 38 LEU MD1 1 69 ALA MB 3.290 . 3.290 2.314 2.090 2.688 . 0 0 "[ . 1 . 2]" 1
890 1 18 LEU MD2 1 100 LEU MD2 3.300 . 3.300 2.520 2.046 2.918 . 0 0 "[ . 1 . 2]" 1
891 1 105 LYS QB 1 106 LEU MD2 4.620 . 4.620 3.542 2.491 4.666 0.046 17 0 "[ . 1 . 2]" 1
892 1 50 LEU HA 1 50 LEU MD2 3.380 . 3.380 2.964 2.673 3.205 . 0 0 "[ . 1 . 2]" 1
893 1 68 LEU HA 1 68 LEU MD2 3.310 . 3.310 2.626 2.320 3.254 . 0 0 "[ . 1 . 2]" 1
894 1 9 LEU HA 1 9 LEU MD2 3.770 . 3.770 3.327 1.954 3.783 0.013 9 0 "[ . 1 . 2]" 1
895 1 56 GLU HA 1 57 LEU MD2 4.810 . 4.810 4.715 4.422 4.815 0.005 18 0 "[ . 1 . 2]" 1
896 1 76 LEU MD1 1 80 VAL MG2 3.100 . 3.100 2.361 2.206 2.665 . 0 0 "[ . 1 . 2]" 1
897 1 18 LEU MD1 1 22 LEU HG 5.500 . 5.500 4.693 4.182 5.404 . 0 0 "[ . 1 . 2]" 1
898 1 22 LEU HG 1 100 LEU MD2 5.500 . 5.500 5.369 4.145 5.508 0.008 15 0 "[ . 1 . 2]" 1
899 1 69 ALA MB 1 72 GLN HG3 4.550 . 4.550 3.897 3.520 4.202 . 0 0 "[ . 1 . 2]" 1
900 1 76 LEU HA 1 76 LEU MD1 3.310 . 3.310 2.176 1.974 2.338 . 0 0 "[ . 1 . 2]" 1
901 1 72 GLN HA 1 76 LEU MD1 4.760 . 4.760 4.729 4.672 4.764 0.004 7 0 "[ . 1 . 2]" 1
902 1 42 GLY HA3 1 68 LEU MD2 3.940 . 3.940 2.364 2.062 2.829 . 0 0 "[ . 1 . 2]" 1
903 1 37 THR MG 1 41 LEU MD1 3.580 . 3.580 1.832 1.796 1.957 0.004 3 0 "[ . 1 . 2]" 1
904 1 37 THR MG 1 41 LEU MD2 4.340 . 4.340 2.848 2.653 3.061 . 0 0 "[ . 1 . 2]" 1
905 1 37 THR HA 1 37 THR MG 3.570 . 3.570 2.402 2.336 2.462 . 0 0 "[ . 1 . 2]" 1
906 1 27 VAL HA 1 27 VAL MG2 3.270 . 3.270 3.197 3.190 3.205 . 0 0 "[ . 1 . 2]" 1
907 1 43 SER H 1 68 LEU MD2 5.010 . 5.010 4.234 3.790 4.789 . 0 0 "[ . 1 . 2]" 1
908 1 31 LEU MD2 1 108 MET ME 4.300 . 4.300 2.695 1.936 4.067 . 0 0 "[ . 1 . 2]" 1
909 1 50 LEU HB3 1 50 LEU MD1 3.660 . 3.660 2.876 2.767 2.982 . 0 0 "[ . 1 . 2]" 1
910 1 50 LEU HB2 1 50 LEU MD1 3.640 . 3.640 1.998 1.930 2.080 . 0 0 "[ . 1 . 2]" 1
911 1 100 LEU HB2 1 100 LEU MD1 3.590 . 3.590 2.334 2.119 2.508 . 0 0 "[ . 1 . 2]" 1
912 1 25 ASP HB2 1 31 LEU MD1 4.630 . 4.630 4.377 3.418 4.634 0.004 14 0 "[ . 1 . 2]" 1
913 1 63 VAL HB 1 68 LEU MD1 5.100 . 5.100 3.559 2.838 3.950 . 0 0 "[ . 1 . 2]" 1
914 1 68 LEU MD1 1 72 GLN HG3 5.270 . 5.270 3.341 2.512 4.145 . 0 0 "[ . 1 . 2]" 1
915 1 37 THR MG 1 106 LEU MD1 3.710 . 3.710 2.384 1.873 3.051 . 0 0 "[ . 1 . 2]" 1
916 1 38 LEU HB3 1 76 LEU MD2 4.240 . 4.240 2.645 2.459 2.875 . 0 0 "[ . 1 . 2]" 1
917 1 76 LEU HG 1 80 VAL MG2 4.560 . 4.560 2.654 2.559 2.767 . 0 0 "[ . 1 . 2]" 1
918 1 68 LEU MD1 1 76 LEU MD1 5.170 . 5.170 3.508 3.099 4.529 . 0 0 "[ . 1 . 2]" 1
919 1 37 THR HB 1 38 LEU HG 5.350 . 5.350 3.858 3.729 3.954 . 0 0 "[ . 1 . 2]" 1
920 1 22 LEU HA 1 22 LEU MD1 4.780 . 4.780 3.664 1.975 3.812 . 0 0 "[ . 1 . 2]" 1
921 1 38 LEU HB2 1 76 LEU MD2 4.240 . 4.240 3.647 3.454 3.868 . 0 0 "[ . 1 . 2]" 1
922 1 72 GLN HG3 1 76 LEU MD2 3.830 . 3.830 2.154 1.944 2.407 . 0 0 "[ . 1 . 2]" 1
923 1 76 LEU MD2 1 80 VAL MG2 3.920 . 3.920 3.722 3.631 3.820 . 0 0 "[ . 1 . 2]" 1
924 1 40 LEU MD2 1 41 LEU HG 3.090 . 3.090 2.596 2.366 2.878 . 0 0 "[ . 1 . 2]" 1
925 1 68 LEU MD1 1 76 LEU MD2 3.720 . 3.720 3.226 2.609 3.731 0.011 10 0 "[ . 1 . 2]" 1
926 1 104 LYS HA 1 104 LYS HD3 4.600 . 4.600 4.043 2.989 4.619 0.019 2 0 "[ . 1 . 2]" 1
927 1 104 LYS HA 1 104 LYS HD2 4.600 . 4.600 4.077 2.383 4.580 . 0 0 "[ . 1 . 2]" 1
928 1 27 VAL MG1 1 67 LYS QD 4.150 . 4.150 3.895 3.423 4.158 0.008 15 0 "[ . 1 . 2]" 1
929 1 48 SER HA 1 92 PRO QB 4.280 . 4.280 4.165 3.779 4.283 0.003 4 0 "[ . 1 . 2]" 1
930 1 94 GLN HA 1 94 GLN QG 3.790 . 3.790 2.181 2.010 2.600 . 0 0 "[ . 1 . 2]" 1
931 1 24 GLN HA 1 24 GLN HG3 4.130 . 4.130 3.394 2.782 3.706 . 0 0 "[ . 1 . 2]" 1
932 1 46 ILE HB 1 80 VAL MG1 4.560 . 4.560 3.261 3.081 3.505 . 0 0 "[ . 1 . 2]" 1
933 1 98 GLU HA 1 101 GLU QG 4.460 . 4.460 4.181 3.637 4.479 0.019 9 0 "[ . 1 . 2]" 1
934 1 101 GLU HA 1 101 GLU QG 3.510 . 3.510 2.519 2.219 2.837 . 0 0 "[ . 1 . 2]" 1
935 1 56 GLU HA 1 56 GLU HG2 4.200 . 4.200 3.715 3.553 3.985 . 0 0 "[ . 1 . 2]" 1
936 1 75 GLU HA 1 75 GLU HG3 4.110 . 4.110 3.278 2.276 3.806 . 0 0 "[ . 1 . 2]" 1
937 1 10 THR MG 1 13 ILE HB 4.700 . 4.700 4.067 3.392 4.466 . 0 0 "[ . 1 . 2]" 1
938 1 42 GLY HA2 1 46 ILE MD 4.970 . 4.970 4.638 4.516 4.761 . 0 0 "[ . 1 . 2]" 1
939 1 46 ILE MD 1 49 GLU HB3 5.050 . 5.050 4.172 3.997 4.394 . 0 0 "[ . 1 . 2]" 1
940 1 46 ILE MD 1 46 ILE MG 3.140 . 3.140 1.869 1.796 1.982 0.004 10 0 "[ . 1 . 2]" 1
941 1 90 MET ME 1 95 ALA HA 4.270 . 4.270 3.933 3.516 4.267 . 0 0 "[ . 1 . 2]" 1
942 1 78 GLU HA 1 81 MET ME 3.060 . 3.060 2.618 1.974 2.998 . 0 0 "[ . 1 . 2]" 1
943 1 90 MET HB3 1 90 MET ME 4.050 . 4.050 2.712 1.987 3.223 . 0 0 "[ . 1 . 2]" 1
944 1 90 MET ME 1 95 ALA MB 4.240 . 4.240 3.677 2.366 4.191 . 0 0 "[ . 1 . 2]" 1
945 1 63 VAL MG2 1 81 MET ME 3.480 . 3.480 2.353 1.887 3.255 . 0 0 "[ . 1 . 2]" 1
946 1 62 TYR QE 1 81 MET ME 4.830 . 4.830 4.622 3.777 4.832 0.002 19 0 "[ . 1 . 2]" 1
947 1 44 TYR QE 1 90 MET ME 3.250 . 3.250 2.281 1.873 3.064 . 0 0 "[ . 1 . 2]" 1
948 1 87 TYR HA 1 90 MET ME 4.710 . 4.710 4.054 3.673 4.678 . 0 0 "[ . 1 . 2]" 1
949 1 90 MET HA 1 90 MET ME 4.340 . 4.340 4.178 3.820 4.359 0.019 7 0 "[ . 1 . 2]" 1
950 1 99 PHE HZ 1 103 ALA MB 5.500 . 5.500 3.574 3.446 3.739 . 0 0 "[ . 1 . 2]" 1
951 1 93 ALA MB 1 94 GLN HA 4.890 . 4.890 3.778 3.696 3.823 . 0 0 "[ . 1 . 2]" 1
952 1 28 ALA MB 1 29 GLY HA2 5.050 . 5.050 4.769 4.731 4.797 . 0 0 "[ . 1 . 2]" 1
953 1 28 ALA MB 1 30 ARG HA 5.450 . 5.450 4.472 4.334 4.688 . 0 0 "[ . 1 . 2]" 1
954 1 54 ASP QB 1 57 LEU MD2 5.020 . 5.020 3.759 1.886 4.608 . 0 0 "[ . 1 . 2]" 1
955 1 76 LEU MD1 1 80 VAL HA 4.840 . 4.840 4.590 4.460 4.841 0.001 15 0 "[ . 1 . 2]" 1
956 1 72 GLN HG3 1 76 LEU MD1 4.710 . 4.710 4.216 3.962 4.365 . 0 0 "[ . 1 . 2]" 1
957 1 94 GLN HA 1 97 LEU HG 5.500 . 5.500 5.454 5.226 5.516 0.016 12 0 "[ . 1 . 2]" 1
958 1 97 LEU HG 1 98 GLU HA 5.500 . 5.500 4.480 4.151 5.411 . 0 0 "[ . 1 . 2]" 1
959 1 47 GLN QG 1 90 MET ME 5.160 . 5.160 3.703 1.907 4.574 . 0 0 "[ . 1 . 2]" 1
960 1 40 LEU MD2 1 102 ASN HB3 4.600 . 4.600 3.369 3.040 3.991 . 0 0 "[ . 1 . 2]" 1
961 1 105 LYS QB 1 105 LYS QE 3.700 . 3.700 2.481 1.964 3.277 . 0 0 "[ . 1 . 2]" 1
962 1 54 ASP QB 1 57 LEU HB2 4.910 . 4.910 2.616 1.819 3.727 . 0 0 "[ . 1 . 2]" 1
963 1 54 ASP QB 1 57 LEU HB3 5.500 . 5.500 3.988 2.698 5.136 . 0 0 "[ . 1 . 2]" 1
964 1 46 ILE MG 1 50 LEU HB2 4.920 . 4.920 3.173 3.076 3.329 . 0 0 "[ . 1 . 2]" 1
965 1 46 ILE MG 1 50 LEU HB3 5.020 . 5.020 4.458 4.388 4.574 . 0 0 "[ . 1 . 2]" 1
966 1 15 ARG HD3 1 100 LEU MD1 5.500 . 5.500 2.733 1.966 4.084 . 0 0 "[ . 1 . 2]" 1
967 1 29 GLY HA2 1 70 PRO HG3 4.720 . 4.720 3.342 3.066 3.824 . 0 0 "[ . 1 . 2]" 1
968 1 29 GLY HA3 1 70 PRO HG3 4.660 . 4.660 3.093 2.829 3.763 . 0 0 "[ . 1 . 2]" 1
969 1 59 GLY HA3 1 60 VAL MG1 5.500 . 5.500 4.542 3.766 5.578 0.078 5 0 "[ . 1 . 2]" 1
970 1 59 GLY HA3 1 60 VAL MG2 5.500 . 5.500 3.873 3.219 4.808 . 0 0 "[ . 1 . 2]" 1
971 1 59 GLY HA2 1 60 VAL MG1 5.500 . 5.500 4.404 3.429 5.523 0.023 1 0 "[ . 1 . 2]" 1
972 1 59 GLY HA2 1 60 VAL MG2 5.500 . 5.500 3.876 3.063 4.496 . 0 0 "[ . 1 . 2]" 1
973 1 42 GLY HA3 1 68 LEU HA 5.500 . 5.500 4.510 3.999 4.914 . 0 0 "[ . 1 . 2]" 1
974 1 42 GLY HA3 1 80 VAL MG2 4.940 . 4.940 3.130 2.786 3.442 . 0 0 "[ . 1 . 2]" 1
975 1 42 GLY HA2 1 45 THR MG 5.130 . 5.130 4.082 2.548 4.264 . 0 0 "[ . 1 . 2]" 1
976 1 42 GLY HA2 1 80 VAL MG2 5.490 . 5.490 4.550 4.266 4.826 . 0 0 "[ . 1 . 2]" 1
977 1 42 GLY HA2 1 68 LEU MD2 4.590 . 4.590 2.406 1.999 2.944 . 0 0 "[ . 1 . 2]" 1
978 1 42 GLY HA3 1 68 LEU MD1 5.190 . 5.190 3.540 2.300 4.420 . 0 0 "[ . 1 . 2]" 1
979 1 26 ILE MG 1 69 ALA HA 3.910 . 3.910 3.542 3.066 3.740 . 0 0 "[ . 1 . 2]" 1
980 1 27 VAL MG1 1 69 ALA HA 4.400 . 4.400 2.807 2.589 3.274 . 0 0 "[ . 1 . 2]" 1
981 1 54 ASP HA 1 55 PRO HG2 4.770 . 4.770 4.349 4.132 4.515 . 0 0 "[ . 1 . 2]" 1
982 1 5 ASP HA 1 6 PRO HD3 3.500 . 3.500 2.388 2.227 2.574 . 0 0 "[ . 1 . 2]" 1
983 1 27 VAL MG2 1 28 ALA HA 4.340 . 4.340 3.448 3.296 3.580 . 0 0 "[ . 1 . 2]" 1
984 1 39 ALA HA 1 76 LEU MD2 5.360 . 5.360 4.292 4.070 4.554 . 0 0 "[ . 1 . 2]" 1
985 1 39 ALA HA 1 83 LEU MD1 5.500 . 5.500 4.156 3.897 4.410 . 0 0 "[ . 1 . 2]" 1
986 1 61 ASP HA 1 81 MET ME 4.130 . 4.130 2.817 1.901 3.640 . 0 0 "[ . 1 . 2]" 1
987 1 87 TYR HA 1 88 ARG QB 4.780 . 4.780 4.333 4.004 4.561 . 0 0 "[ . 1 . 2]" 1
988 1 92 PRO QB 1 93 ALA HA 4.850 . 4.850 3.733 3.667 3.816 . 0 0 "[ . 1 . 2]" 1
989 1 106 LEU HA 1 106 LEU MD1 3.420 . 3.420 3.439 2.837 3.504 0.084 15 0 "[ . 1 . 2]" 1
990 1 103 ALA HA 1 106 LEU QB 4.170 . 4.170 2.740 2.018 3.060 . 0 0 "[ . 1 . 2]" 1
991 1 67 LYS HA 1 67 LYS QD 4.190 . 4.190 3.668 2.810 4.069 . 0 0 "[ . 1 . 2]" 1
992 1 57 LEU HA 1 57 LEU HG 4.220 . 4.220 3.305 3.132 3.665 . 0 0 "[ . 1 . 2]" 1
993 1 95 ALA HA 1 98 GLU QB 4.340 . 4.340 2.353 2.187 3.466 . 0 0 "[ . 1 . 2]" 1
994 1 27 VAL MG1 1 67 LYS HA 4.890 . 4.890 3.872 3.483 4.176 . 0 0 "[ . 1 . 2]" 1
995 1 67 LYS HA 1 68 LEU MD2 5.500 . 5.500 4.834 4.091 5.475 . 0 0 "[ . 1 . 2]" 1
996 1 3 HIS HA 1 3 HIS HD2 4.750 . 4.750 3.625 2.255 4.656 . 0 0 "[ . 1 . 2]" 1
997 1 8 GLN HA 1 8 GLN QG 3.640 . 3.640 2.470 2.200 3.341 . 0 0 "[ . 1 . 2]" 1
998 1 102 ASN HA 1 105 LYS QD 4.170 . 4.170 3.752 2.719 4.175 0.005 1 0 "[ . 1 . 2]" 1
999 1 31 LEU MD2 1 108 MET HA 4.530 . 4.530 3.584 2.815 4.512 . 0 0 "[ . 1 . 2]" 1
1000 1 56 GLU HA 1 56 GLU HG3 4.200 . 4.200 3.858 3.571 4.194 . 0 0 "[ . 1 . 2]" 1
1001 1 72 GLN HA 1 72 GLN HG3 3.990 . 3.990 2.350 2.189 2.549 . 0 0 "[ . 1 . 2]" 1
1002 1 88 ARG HA 1 88 ARG QG 3.820 . 3.820 2.719 2.050 3.426 . 0 0 "[ . 1 . 2]" 1
1003 1 72 GLN HA 1 76 LEU HG 4.700 . 4.700 4.123 3.898 4.243 . 0 0 "[ . 1 . 2]" 1
1004 1 72 GLN HA 1 76 LEU MD2 3.860 . 3.860 2.040 1.957 2.289 . 0 0 "[ . 1 . 2]" 1
1005 1 49 GLU HA 1 49 GLU HG2 4.250 . 4.250 2.730 2.217 3.580 . 0 0 "[ . 1 . 2]" 1
1006 1 11 GLU HA 1 11 GLU QG 3.750 . 3.750 2.609 2.224 3.333 . 0 0 "[ . 1 . 2]" 1
1007 1 94 GLN HA 1 97 LEU HB2 3.820 . 3.820 3.558 2.800 3.826 0.006 17 0 "[ . 1 . 2]" 1
1008 1 39 ALA MB 1 76 LEU HA 5.170 . 5.170 2.943 2.744 3.120 . 0 0 "[ . 1 . 2]" 1
1009 1 76 LEU HA 1 80 VAL MG2 5.500 . 5.500 3.751 3.668 3.812 . 0 0 "[ . 1 . 2]" 1
1010 1 38 LEU HA 1 38 LEU MD1 4.180 . 4.180 3.796 3.771 3.838 . 0 0 "[ . 1 . 2]" 1
1011 1 46 ILE MG 1 47 GLN HA 4.940 . 4.940 3.346 3.258 3.474 . 0 0 "[ . 1 . 2]" 1
1012 1 105 LYS HA 1 105 LYS HG2 4.070 . 4.070 2.952 2.329 3.471 . 0 0 "[ . 1 . 2]" 1
1013 1 97 LEU HA 1 97 LEU MD1 3.310 . 3.310 2.034 1.927 2.204 . 0 0 "[ . 1 . 2]" 1
1014 1 82 GLU HA 1 82 GLU HG2 4.110 . 4.110 2.745 2.066 3.684 . 0 0 "[ . 1 . 2]" 1
1015 1 82 GLU HA 1 82 GLU HG3 4.110 . 4.110 2.731 2.034 3.570 . 0 0 "[ . 1 . 2]" 1
1016 1 82 GLU HA 1 85 LYS QD 4.220 . 4.220 3.906 2.664 4.232 0.012 11 0 "[ . 1 . 2]" 1
1017 1 73 THR HA 1 73 THR MG 3.200 . 3.200 2.862 2.138 3.219 0.019 18 0 "[ . 1 . 2]" 1
1018 1 75 GLU HA 1 75 GLU HG2 4.110 . 4.110 2.858 2.043 3.730 . 0 0 "[ . 1 . 2]" 1
1019 1 48 SER HA 1 95 ALA MB 4.640 . 4.640 3.420 3.152 3.768 . 0 0 "[ . 1 . 2]" 1
1020 1 77 GLU HA 1 80 VAL MG2 4.390 . 4.390 2.383 2.053 2.665 . 0 0 "[ . 1 . 2]" 1
1021 1 15 ARG HA 1 100 LEU MD2 4.450 . 4.450 3.673 3.194 3.993 . 0 0 "[ . 1 . 2]" 1
1022 1 47 GLN QG 1 48 SER HA 5.370 . 5.370 4.217 3.226 5.283 . 0 0 "[ . 1 . 2]" 1
1023 1 16 TYR HA 1 20 LEU HG 4.790 . 4.790 4.247 4.094 4.574 . 0 0 "[ . 1 . 2]" 1
1024 1 17 TYR HA 1 20 LEU HG 5.140 . 5.140 3.640 3.252 3.829 . 0 0 "[ . 1 . 2]" 1
1025 1 44 TYR HA 1 44 TYR QE 4.610 . 4.610 4.236 4.182 4.278 . 0 0 "[ . 1 . 2]" 1
1026 1 44 TYR HA 1 95 ALA MB 4.580 . 4.580 3.440 3.059 3.894 . 0 0 "[ . 1 . 2]" 1
1027 1 46 ILE HA 1 49 GLU HB3 4.860 . 4.860 3.542 3.339 3.752 . 0 0 "[ . 1 . 2]" 1
1028 1 45 THR MG 1 46 ILE HA 4.650 . 4.650 3.698 3.014 3.959 . 0 0 "[ . 1 . 2]" 1
1029 1 35 PHE HA 1 38 LEU MD1 3.900 . 3.900 2.670 2.432 2.817 . 0 0 "[ . 1 . 2]" 1
1030 1 60 VAL HA 1 81 MET ME 4.890 . 4.890 4.610 3.847 4.902 0.012 19 0 "[ . 1 . 2]" 1
1031 1 60 VAL HA 1 60 VAL MG1 3.230 . 3.230 2.276 2.115 2.505 . 0 0 "[ . 1 . 2]" 1
1032 1 10 THR HA 1 13 ILE MG 4.780 . 4.780 4.173 4.002 4.308 . 0 0 "[ . 1 . 2]" 1
1033 1 35 PHE HA 1 39 ALA MB 4.570 . 4.570 4.587 4.579 4.594 0.024 18 0 "[ . 1 . 2]" 1
1034 1 10 THR HA 1 13 ILE MD 4.500 . 4.500 4.342 3.608 4.522 0.022 11 0 "[ . 1 . 2]" 1
1035 1 45 THR HA 1 48 SER QB 4.280 . 4.280 2.979 2.597 3.727 . 0 0 "[ . 1 . 2]" 1
1036 1 13 ILE HA 1 16 TYR HB2 4.490 . 4.490 3.830 3.409 4.184 . 0 0 "[ . 1 . 2]" 1
1037 1 13 ILE HA 1 16 TYR HB3 4.490 . 4.490 3.183 2.793 3.356 . 0 0 "[ . 1 . 2]" 1
1038 1 27 VAL HA 1 70 PRO HA 4.770 . 4.770 4.470 4.210 4.733 . 0 0 "[ . 1 . 2]" 1
1039 1 69 ALA MB 1 70 PRO HA 4.800 . 4.800 4.374 4.331 4.463 . 0 0 "[ . 1 . 2]" 1
1040 1 27 VAL MG1 1 70 PRO HA 5.420 . 5.420 5.094 4.877 5.345 . 0 0 "[ . 1 . 2]" 1
1041 1 19 CYS HA 1 100 LEU MD2 4.320 . 4.320 3.751 3.425 4.095 . 0 0 "[ . 1 . 2]" 1
1042 1 14 THR HA 1 17 TYR QD 5.150 . 5.150 3.681 3.001 4.636 . 0 0 "[ . 1 . 2]" 1
1043 1 36 ALA MB 1 37 THR HA 4.700 . 4.700 3.783 3.730 3.827 . 0 0 "[ . 1 . 2]" 1
1044 1 26 ILE HA 1 26 ILE MG 3.400 . 3.400 2.329 2.237 2.425 . 0 0 "[ . 1 . 2]" 1
1045 1 37 THR HA 1 40 LEU HB3 4.390 . 4.390 2.336 2.297 2.393 . 0 0 "[ . 1 . 2]" 1
1046 1 37 THR HA 1 40 LEU HB2 4.390 . 4.390 3.376 3.324 3.472 . 0 0 "[ . 1 . 2]" 1
1047 1 92 PRO HA 1 95 ALA MB 4.230 . 4.230 2.881 2.779 2.956 . 0 0 "[ . 1 . 2]" 1
1048 1 13 ILE MG 1 14 THR HA 4.810 . 4.810 3.365 3.234 3.414 . 0 0 "[ . 1 . 2]" 1
1049 1 37 THR HA 1 40 LEU MD2 4.080 . 4.080 3.330 3.155 3.526 . 0 0 "[ . 1 . 2]" 1
1050 1 27 VAL HA 1 69 ALA HA 4.460 . 4.460 2.131 1.974 2.443 . 0 0 "[ . 1 . 2]" 1
1051 1 48 SER HA 1 92 PRO HA 3.880 . 3.880 3.694 3.338 3.889 0.009 16 0 "[ . 1 . 2]" 1
1052 1 42 GLY HA2 1 45 THR HA 5.500 . 5.500 5.459 5.413 5.503 0.003 6 0 "[ . 1 . 2]" 1
1053 1 45 THR HA 1 48 SER HA 5.500 . 5.500 5.519 5.506 5.528 0.028 14 0 "[ . 1 . 2]" 1
1054 1 39 ALA HA 1 80 VAL HA 5.150 . 5.150 4.210 4.012 4.391 . 0 0 "[ . 1 . 2]" 1
1055 1 27 VAL HA 1 70 PRO HD3 5.050 . 5.050 2.202 1.996 2.620 . 0 0 "[ . 1 . 2]" 1
1056 1 27 VAL HA 1 70 PRO HG3 4.670 . 4.670 4.281 3.133 4.661 . 0 0 "[ . 1 . 2]" 1
1057 1 80 VAL HA 1 83 LEU HG 5.500 . 5.500 4.820 4.368 5.238 . 0 0 "[ . 1 . 2]" 1
1058 1 27 VAL HA 1 69 ALA MB 5.050 . 5.050 3.730 3.503 4.060 . 0 0 "[ . 1 . 2]" 1
1059 1 42 GLY HA2 1 45 THR HB 4.640 . 4.640 2.874 2.755 3.041 . 0 0 "[ . 1 . 2]" 1
1060 1 42 GLY HA3 1 45 THR HB 4.730 . 4.730 4.456 4.350 4.741 0.011 19 0 "[ . 1 . 2]" 1
1061 1 45 THR HB 1 68 LEU MD2 4.460 . 4.460 3.494 2.770 4.257 . 0 0 "[ . 1 . 2]" 1
1062 1 37 THR HB 1 38 LEU MD2 4.850 . 4.850 4.297 4.034 4.613 . 0 0 "[ . 1 . 2]" 1
1063 1 11 GLU QB 1 14 THR HB 5.500 . 5.500 5.538 5.514 5.551 0.051 17 0 "[ . 1 . 2]" 1
1064 1 13 ILE HG13 1 13 ILE MG 3.680 . 3.680 2.499 2.283 3.197 . 0 0 "[ . 1 . 2]" 1
1065 1 60 VAL HA 1 60 VAL MG2 3.550 . 3.550 2.920 2.209 3.195 . 0 0 "[ . 1 . 2]" 1
1066 1 24 GLN HA 1 28 ALA MB 4.470 . 4.470 4.354 4.034 4.478 0.008 10 0 "[ . 1 . 2]" 1
1067 1 68 LEU MD2 1 80 VAL MG1 3.680 . 3.680 2.502 1.864 3.356 . 0 0 "[ . 1 . 2]" 1
1068 1 68 LEU MD1 1 80 VAL HA 5.320 . 5.320 4.598 4.326 5.323 0.003 15 0 "[ . 1 . 2]" 1
1069 1 57 LEU HA 1 57 LEU MD1 4.040 . 4.040 3.564 1.941 3.912 . 0 0 "[ . 1 . 2]" 1
1070 1 44 TYR H 1 83 LEU MD1 5.290 . 5.290 4.982 4.683 5.293 0.003 13 0 "[ . 1 . 2]" 1
1071 1 50 LEU MD1 1 66 PHE QD 4.870 . 4.870 3.506 3.006 4.245 . 0 0 "[ . 1 . 2]" 1
1072 1 46 ILE MG 1 50 LEU MD1 3.420 . 3.420 1.779 1.750 1.799 0.050 16 0 "[ . 1 . 2]" 1
1073 1 53 TYR QE 1 62 TYR QE 3.820 . 3.820 3.134 2.532 3.824 0.004 20 0 "[ . 1 . 2]" 1
1074 1 41 LEU HA 1 44 TYR QD 3.880 . 3.880 2.689 2.509 2.821 . 0 0 "[ . 1 . 2]" 1
1075 1 35 PHE HZ 1 76 LEU HA 3.860 . 3.860 2.519 2.147 2.729 . 0 0 "[ . 1 . 2]" 1
1076 1 35 PHE QE 1 76 LEU HA 3.680 . 3.680 2.801 2.474 3.144 . 0 0 "[ . 1 . 2]" 1
1077 1 17 TYR HA 1 17 TYR QD 3.340 . 3.340 2.352 1.976 3.055 . 0 0 "[ . 1 . 2]" 1
1078 1 35 PHE HA 1 35 PHE QD 3.740 . 3.740 3.075 2.799 3.160 . 0 0 "[ . 1 . 2]" 1
1079 1 16 TYR HA 1 16 TYR QD 3.520 . 3.520 2.102 2.037 2.187 . 0 0 "[ . 1 . 2]" 1
1080 1 17 TYR HA 1 17 TYR QE 4.570 . 4.570 4.348 4.225 4.547 . 0 0 "[ . 1 . 2]" 1
1081 1 84 HIS HA 1 87 TYR QD 4.020 . 4.020 2.543 2.066 2.997 . 0 0 "[ . 1 . 2]" 1
1082 1 35 PHE QD 1 36 ALA HA 3.690 . 3.690 2.710 2.543 3.168 . 0 0 "[ . 1 . 2]" 1
1083 1 63 VAL HA 1 66 PHE QD 3.500 . 3.500 2.434 2.164 2.768 . 0 0 "[ . 1 . 2]" 1
1084 1 19 CYS HA 1 99 PHE HZ 4.560 . 4.560 4.062 3.681 4.484 . 0 0 "[ . 1 . 2]" 1
1085 1 104 LYS HA 1 109 TYR QE 4.770 . 4.770 2.982 2.152 3.512 . 0 0 "[ . 1 . 2]" 1
1086 1 53 TYR QE 1 55 PRO HG3 3.990 . 3.990 2.652 1.981 3.375 . 0 0 "[ . 1 . 2]" 1
1087 1 53 TYR QE 1 55 PRO HB3 4.500 . 4.500 2.641 2.015 3.279 . 0 0 "[ . 1 . 2]" 1
1088 1 35 PHE HZ 1 79 LYS QB 4.490 . 4.490 2.748 2.528 2.973 . 0 0 "[ . 1 . 2]" 1
1089 1 22 LEU HG 1 109 TYR QE 4.970 . 4.970 4.437 3.421 4.977 0.007 14 0 "[ . 1 . 2]" 1
1090 1 87 TYR QD 1 90 MET ME 3.720 . 3.720 2.832 2.290 3.235 . 0 0 "[ . 1 . 2]" 1
1091 1 22 LEU HB3 1 99 PHE HZ 4.200 . 4.200 2.057 1.937 2.379 . 0 0 "[ . 1 . 2]" 1
1092 1 103 ALA MB 1 109 TYR QE 3.390 . 3.390 2.111 1.876 2.446 . 0 0 "[ . 1 . 2]" 1
1093 1 13 ILE MG 1 17 TYR QE 3.530 . 3.530 2.468 1.892 3.337 . 0 0 "[ . 1 . 2]" 1
1094 1 13 ILE MG 1 17 TYR QD 3.600 . 3.600 2.667 2.093 3.433 . 0 0 "[ . 1 . 2]" 1
1095 1 40 LEU MD2 1 44 TYR QD 3.820 . 3.820 2.008 1.955 2.261 . 0 0 "[ . 1 . 2]" 1
1096 1 40 LEU MD1 1 44 TYR QE 3.370 . 3.370 2.471 2.329 2.646 . 0 0 "[ . 1 . 2]" 1
1097 1 40 LEU MD2 1 44 TYR QE 3.760 . 3.760 1.981 1.930 2.061 . 0 0 "[ . 1 . 2]" 1
1098 1 26 ILE MD 1 99 PHE QE 3.840 . 3.840 2.735 2.481 3.072 . 0 0 "[ . 1 . 2]" 1
1099 1 26 ILE MD 1 99 PHE HZ 3.900 . 3.900 2.554 2.158 2.911 . 0 0 "[ . 1 . 2]" 1
1100 1 22 LEU MD2 1 109 TYR QE 4.060 . 4.060 3.586 2.581 4.068 0.008 9 0 "[ . 1 . 2]" 1
1101 1 50 LEU MD2 1 66 PHE QE 3.770 . 3.770 2.682 1.901 3.557 . 0 0 "[ . 1 . 2]" 1
1102 1 99 PHE QD 1 100 LEU MD2 3.750 . 3.750 2.305 2.019 2.780 . 0 0 "[ . 1 . 2]" 1
1103 1 99 PHE HZ 1 100 LEU MD2 5.030 . 5.030 5.041 5.035 5.046 0.016 4 0 "[ . 1 . 2]" 1
1104 1 18 LEU MD1 1 109 TYR QE 3.940 . 3.940 3.328 2.350 3.816 . 0 0 "[ . 1 . 2]" 1
1105 1 50 LEU MD1 1 66 PHE QE 3.860 . 3.860 2.336 1.882 2.987 . 0 0 "[ . 1 . 2]" 1
1106 1 50 LEU MD1 1 62 TYR QE 3.800 3.800 3.800 3.781 3.775 3.789 0.025 20 0 "[ . 1 . 2]" 1
1107 1 22 LEU MD1 1 109 TYR QE 4.060 . 4.060 2.542 1.989 3.563 . 0 0 "[ . 1 . 2]" 1
1108 1 16 TYR QE 1 20 LEU MD2 3.810 . 3.810 3.372 2.957 3.779 . 0 0 "[ . 1 . 2]" 1
1109 1 16 TYR QE 1 20 LEU MD1 3.680 . 3.680 2.915 2.601 3.129 . 0 0 "[ . 1 . 2]" 1
1110 1 35 PHE QD 1 76 LEU MD1 4.260 . 4.260 3.826 3.404 4.215 . 0 0 "[ . 1 . 2]" 1
1111 1 35 PHE HZ 1 76 LEU MD1 4.190 . 4.190 3.917 3.583 4.131 . 0 0 "[ . 1 . 2]" 1
1112 1 46 ILE MD 1 66 PHE QD 3.790 . 3.790 2.569 2.181 2.944 . 0 0 "[ . 1 . 2]" 1
1113 1 46 ILE MG 1 62 TYR QE 3.620 . 3.620 2.822 2.383 3.414 . 0 0 "[ . 1 . 2]" 1
1114 1 99 PHE HA 1 99 PHE QD 4.020 . 4.020 3.090 2.632 3.163 . 0 0 "[ . 1 . 2]" 1
1115 1 66 PHE HA 1 66 PHE QD 3.860 . 3.860 2.889 2.645 3.101 . 0 0 "[ . 1 . 2]" 1
1116 1 87 TYR HA 1 87 TYR QD 3.810 . 3.810 2.140 1.978 2.270 . 0 0 "[ . 1 . 2]" 1
1117 1 109 TYR HA 1 109 TYR QD 3.820 . 3.820 3.404 2.965 3.702 . 0 0 "[ . 1 . 2]" 1
1118 1 58 HIS HA 1 58 HIS HD2 3.530 . 3.530 2.935 2.151 3.537 0.007 7 0 "[ . 1 . 2]" 1
1119 1 44 TYR HA 1 44 TYR QD 4.030 . 4.030 2.084 1.957 2.229 . 0 0 "[ . 1 . 2]" 1
1120 1 44 TYR QD 1 95 ALA HA 3.860 . 3.860 3.105 2.834 3.767 . 0 0 "[ . 1 . 2]" 1
1121 1 53 TYR QE 1 55 PRO HA 4.200 . 4.200 3.243 2.013 4.031 . 0 0 "[ . 1 . 2]" 1
1122 1 103 ALA HA 1 109 TYR QE 4.770 . 4.770 4.225 3.793 4.628 . 0 0 "[ . 1 . 2]" 1
1123 1 35 PHE QD 1 36 ALA MB 3.930 . 3.930 3.365 3.262 3.521 . 0 0 "[ . 1 . 2]" 1
1124 1 35 PHE QE 1 75 GLU HB3 4.320 . 4.320 2.597 1.993 4.324 0.004 15 0 "[ . 1 . 2]" 1
1125 1 46 ILE MD 1 50 LEU MD1 4.000 . 4.000 2.614 2.393 2.897 . 0 0 "[ . 1 . 2]" 1
1126 1 46 ILE MG 1 63 VAL MG1 4.040 . 4.040 3.728 3.444 4.045 0.005 20 0 "[ . 1 . 2]" 1
1127 1 38 LEU HA 1 76 LEU MD1 4.070 . 4.070 4.088 4.075 4.098 0.028 16 0 "[ . 1 . 2]" 1
1128 1 41 LEU MD2 1 103 ALA MB 3.820 . 3.820 3.248 2.814 3.586 . 0 0 "[ . 1 . 2]" 1
1129 1 40 LEU MD2 1 41 LEU MD2 3.330 . 3.330 2.387 2.111 2.577 . 0 0 "[ . 1 . 2]" 1
1130 1 63 VAL MG2 1 68 LEU MD1 4.500 . 4.500 3.507 3.199 3.809 . 0 0 "[ . 1 . 2]" 1
1131 1 63 VAL MG1 1 80 VAL HB 3.820 . 3.820 2.749 2.243 3.430 . 0 0 "[ . 1 . 2]" 1
1132 1 45 THR HA 1 45 THR MG 3.580 . 3.580 2.451 2.273 3.159 . 0 0 "[ . 1 . 2]" 1
1133 1 31 LEU MD2 1 32 PRO QD 3.370 . 3.370 2.296 1.828 3.372 0.002 20 0 "[ . 1 . 2]" 1
1134 1 39 ALA HA 1 76 LEU MD1 3.610 . 3.610 2.041 1.890 2.279 . 0 0 "[ . 1 . 2]" 1
1135 1 63 VAL HA 1 63 VAL MG2 3.720 . 3.720 2.465 2.398 2.521 . 0 0 "[ . 1 . 2]" 1
1136 1 41 LEU MD2 1 106 LEU MD1 4.000 . 4.000 3.954 3.701 4.008 0.008 16 0 "[ . 1 . 2]" 1
1137 1 63 VAL HA 1 63 VAL MG1 3.650 . 3.650 2.284 2.160 2.356 . 0 0 "[ . 1 . 2]" 1
1138 1 43 SER HA 1 80 VAL MG1 3.620 . 3.620 2.244 1.886 2.510 . 0 0 "[ . 1 . 2]" 1
1139 1 85 LYS HA 1 85 LYS HG3 4.030 . 4.030 2.838 2.339 3.371 . 0 0 "[ . 1 . 2]" 1
1140 1 26 ILE MG 1 27 VAL HA 3.970 . 3.970 3.437 3.256 3.639 . 0 0 "[ . 1 . 2]" 1
1141 1 27 VAL HA 1 27 VAL MG1 2.990 . 2.990 2.342 2.196 2.406 . 0 0 "[ . 1 . 2]" 1
1142 1 66 PHE HB2 1 68 LEU MD2 4.700 . 4.700 2.944 2.348 3.341 . 0 0 "[ . 1 . 2]" 1
1143 1 77 GLU HA 1 80 VAL HB 4.090 . 4.090 3.025 2.932 3.146 . 0 0 "[ . 1 . 2]" 1
1144 1 85 LYS HA 1 85 LYS HG2 4.030 . 4.030 2.765 2.443 3.208 . 0 0 "[ . 1 . 2]" 1
1145 1 80 VAL HA 1 80 VAL MG2 3.520 . 3.520 2.388 2.365 2.416 . 0 0 "[ . 1 . 2]" 1
1146 1 16 TYR QD 1 17 TYR QD 4.240 . 4.240 3.471 2.550 4.222 . 0 0 "[ . 1 . 2]" 1
1147 1 41 LEU HA 1 99 PHE QD 4.230 . 4.230 2.368 2.260 2.541 . 0 0 "[ . 1 . 2]" 1
1148 1 22 LEU HA 1 99 PHE HZ 5.500 . 5.500 4.669 4.374 5.125 . 0 0 "[ . 1 . 2]" 1
1149 1 30 ARG HA 1 30 ARG HE 5.500 . 5.500 4.254 2.637 5.251 . 0 0 "[ . 1 . 2]" 1
1150 1 64 SER HB3 1 65 ASP H 4.730 . 4.730 3.690 3.278 4.349 . 0 0 "[ . 1 . 2]" 1
1151 1 99 PHE QD 1 100 LEU HA 4.850 . 4.850 2.819 2.645 3.636 . 0 0 "[ . 1 . 2]" 1
1152 1 47 GLN QG 1 87 TYR QD 4.330 . 4.330 3.529 1.975 4.332 0.002 12 0 "[ . 1 . 2]" 1
1153 1 41 LEU HA 1 44 TYR QE 5.330 . 5.330 4.704 4.545 4.878 . 0 0 "[ . 1 . 2]" 1
1154 1 43 SER HB3 1 87 TYR QE 4.330 . 4.330 3.111 2.376 4.339 0.009 4 0 "[ . 1 . 2]" 1
1155 1 44 TYR QE 1 95 ALA HA 4.490 . 4.490 4.109 3.901 4.492 0.002 20 0 "[ . 1 . 2]" 1
1156 1 84 HIS HA 1 87 TYR QE 4.250 . 4.250 3.509 2.524 4.122 . 0 0 "[ . 1 . 2]" 1
1157 1 43 SER HA 1 87 TYR QE 5.070 . 5.070 4.846 4.391 5.082 0.012 13 0 "[ . 1 . 2]" 1
1158 1 40 LEU HA 1 44 TYR QE 4.810 . 4.810 4.391 4.210 4.596 . 0 0 "[ . 1 . 2]" 1
1159 1 43 SER HB2 1 87 TYR QE 4.330 . 4.330 3.490 2.687 4.340 0.010 8 0 "[ . 1 . 2]" 1
1160 1 44 TYR QE 1 98 GLU HG2 4.990 . 4.990 3.923 3.205 4.180 . 0 0 "[ . 1 . 2]" 1
1161 1 87 TYR QE 1 90 MET ME 4.820 . 4.820 3.377 2.633 4.084 . 0 0 "[ . 1 . 2]" 1
1162 1 35 PHE QE 1 75 GLU HB2 4.320 . 4.320 2.734 2.144 3.688 . 0 0 "[ . 1 . 2]" 1
1163 1 22 LEU HB2 1 99 PHE HZ 4.200 . 4.200 3.078 2.347 3.700 . 0 0 "[ . 1 . 2]" 1
1164 1 99 PHE QD 1 100 LEU HG 4.090 . 4.090 3.042 2.513 3.276 . 0 0 "[ . 1 . 2]" 1
1165 1 47 GLN QB 1 87 TYR QD 4.210 . 4.210 3.388 3.019 3.952 . 0 0 "[ . 1 . 2]" 1
1166 1 16 TYR QD 1 20 LEU MD1 4.150 . 4.150 3.299 3.011 3.576 . 0 0 "[ . 1 . 2]" 1
1167 1 18 LEU MD2 1 109 TYR QE 4.340 . 4.340 2.083 1.811 2.684 . 0 0 "[ . 1 . 2]" 1
1168 1 63 VAL MG1 1 66 PHE QD 4.320 . 4.320 3.557 2.863 4.102 . 0 0 "[ . 1 . 2]" 1
1169 1 41 LEU MD1 1 99 PHE HZ 4.840 . 4.840 4.166 3.838 4.499 . 0 0 "[ . 1 . 2]" 1
1170 1 41 LEU MD2 1 99 PHE QD 4.090 . 4.090 2.080 1.861 2.416 . 0 0 "[ . 1 . 2]" 1
1171 1 41 LEU MD2 1 99 PHE HZ 4.320 . 4.320 3.991 3.706 4.322 0.002 15 0 "[ . 1 . 2]" 1
1172 1 41 LEU MD2 1 44 TYR QD 4.110 . 4.110 3.485 3.147 3.807 . 0 0 "[ . 1 . 2]" 1
1173 1 41 LEU MD2 1 99 PHE QE 4.170 . 4.170 2.623 2.104 3.161 . 0 0 "[ . 1 . 2]" 1
1174 1 62 TYR QE 1 63 VAL MG2 4.200 . 4.200 2.346 1.979 2.607 . 0 0 "[ . 1 . 2]" 1
1175 1 83 LEU MD2 1 87 TYR QE 4.310 . 4.310 3.404 2.946 3.835 . 0 0 "[ . 1 . 2]" 1
1176 1 44 TYR QD 1 95 ALA MB 4.080 . 4.080 3.052 2.824 3.228 . 0 0 "[ . 1 . 2]" 1
1177 1 22 LEU HG 1 99 PHE HZ 5.410 . 5.410 4.723 3.469 5.113 . 0 0 "[ . 1 . 2]" 1
1178 1 46 ILE MD 1 66 PHE QE 4.190 . 4.190 3.454 3.194 3.820 . 0 0 "[ . 1 . 2]" 1
1179 1 20 LEU HA 1 20 LEU MD2 3.590 . 3.590 2.103 1.939 2.381 . 0 0 "[ . 1 . 2]" 1
1180 1 20 LEU HA 1 20 LEU MD1 3.890 . 3.890 3.843 3.789 3.884 . 0 0 "[ . 1 . 2]" 1
1181 1 18 LEU HA 1 18 LEU MD1 3.280 . 3.280 1.950 1.930 2.076 . 0 0 "[ . 1 . 2]" 1
1182 1 57 LEU HA 1 57 LEU MD2 3.140 . 3.140 2.184 1.958 2.847 . 0 0 "[ . 1 . 2]" 1
1183 1 31 LEU MD1 1 108 MET HA 3.650 . 3.650 2.689 2.122 3.354 . 0 0 "[ . 1 . 2]" 1
1184 1 22 LEU HA 1 26 ILE MD 3.770 . 3.770 3.589 3.266 3.775 0.005 1 0 "[ . 1 . 2]" 1
1185 1 103 ALA HA 1 106 LEU MD1 4.050 . 4.050 3.352 2.524 4.065 0.015 13 0 "[ . 1 . 2]" 1
1186 1 22 LEU HA 1 22 LEU MD2 4.780 . 4.780 2.359 1.950 3.431 . 0 0 "[ . 1 . 2]" 1
1187 1 46 ILE MG 1 63 VAL MG2 4.210 . 4.210 3.194 2.935 3.426 . 0 0 "[ . 1 . 2]" 1
1188 1 63 VAL MG2 1 77 GLU HA 4.270 . 4.270 3.966 3.560 4.278 0.008 4 0 "[ . 1 . 2]" 1
1189 1 72 GLN HG2 1 76 LEU MD2 4.110 . 4.110 3.562 3.370 3.753 . 0 0 "[ . 1 . 2]" 1
1190 1 80 VAL HA 1 83 LEU MD1 4.070 . 4.070 3.143 2.763 3.538 . 0 0 "[ . 1 . 2]" 1
1191 1 50 LEU HA 1 50 LEU MD1 4.050 . 4.050 3.808 3.705 3.882 . 0 0 "[ . 1 . 2]" 1
1192 1 68 LEU HA 1 68 LEU MD1 4.240 . 4.240 3.981 3.766 4.017 . 0 0 "[ . 1 . 2]" 1
1193 1 50 LEU MD1 1 62 TYR QD 4.710 . 4.710 3.677 3.296 4.203 . 0 0 "[ . 1 . 2]" 1
1194 1 16 TYR HA 1 16 TYR QE 4.360 . 4.360 4.355 4.310 4.381 0.021 5 0 "[ . 1 . 2]" 1
1195 1 46 ILE HA 1 49 GLU HB2 4.860 . 4.860 2.387 2.298 2.493 . 0 0 "[ . 1 . 2]" 1
1196 1 33 CYS HB2 1 37 THR MG 4.310 . 4.310 4.268 3.371 4.324 0.014 7 0 "[ . 1 . 2]" 1
1197 1 33 CYS HB3 1 37 THR MG 4.310 . 4.310 3.128 2.868 3.999 . 0 0 "[ . 1 . 2]" 1
1198 1 16 TYR QE 1 17 TYR QE 4.300 . 4.300 3.944 3.721 4.201 . 0 0 "[ . 1 . 2]" 1
1199 1 53 TYR QD 1 62 TYR QE 4.440 . 4.440 4.158 3.618 4.442 0.002 11 0 "[ . 1 . 2]" 1
1200 1 53 TYR HA 1 53 TYR QD 3.860 . 3.860 2.755 2.333 3.056 . 0 0 "[ . 1 . 2]" 1
1201 1 41 LEU HA 1 41 LEU MD1 4.010 . 4.010 3.920 3.879 3.963 . 0 0 "[ . 1 . 2]" 1
1202 1 53 TYR QD 1 84 HIS HD2 4.240 . 4.240 3.814 2.796 4.243 0.003 13 0 "[ . 1 . 2]" 1
1203 1 16 TYR QE 1 17 TYR QD 4.700 . 4.700 4.654 4.507 4.703 0.003 2 0 "[ . 1 . 2]" 1
1204 1 46 ILE MD 1 62 TYR QE 4.390 . 4.390 4.245 3.804 4.402 0.012 18 0 "[ . 1 . 2]" 1
1205 1 76 LEU MD1 1 77 GLU HA 5.020 . 5.020 4.458 4.289 4.646 . 0 0 "[ . 1 . 2]" 1
1206 1 62 TYR QE 1 63 VAL MG1 4.560 . 4.560 4.395 4.124 4.576 0.016 12 0 "[ . 1 . 2]" 1
1207 1 13 ILE MG 1 16 TYR QD 5.270 . 5.270 4.309 3.592 4.623 . 0 0 "[ . 1 . 2]" 1
1208 1 31 LEU H 1 31 LEU MD1 5.500 . 5.500 4.615 4.383 4.725 . 0 0 "[ . 1 . 2]" 1
1209 1 13 ILE MD 1 16 TYR QD 5.280 . 5.280 4.595 4.274 5.298 0.018 13 0 "[ . 1 . 2]" 1
1210 1 50 LEU MD2 1 62 TYR QE 4.690 . 4.690 4.709 4.697 4.717 0.027 1 0 "[ . 1 . 2]" 1
1211 1 53 TYR HA 1 53 TYR QE 4.600 . 4.600 4.551 4.455 4.610 0.010 20 0 "[ . 1 . 2]" 1
1212 1 44 TYR QD 1 99 PHE QD 4.410 . 4.410 4.169 3.651 4.416 0.006 20 0 "[ . 1 . 2]" 1
1213 1 84 HIS HD2 1 87 TYR QD 4.510 . 4.510 4.166 3.639 4.517 0.007 19 0 "[ . 1 . 2]" 1
1214 1 88 ARG HA 1 88 ARG QD 4.300 . 4.300 3.655 2.217 4.210 . 0 0 "[ . 1 . 2]" 1
1215 1 43 SER HA 1 80 VAL HA 4.540 . 4.540 3.295 3.086 3.629 . 0 0 "[ . 1 . 2]" 1
1216 1 63 VAL HB 1 80 VAL MG1 4.170 . 4.170 4.006 3.760 4.175 0.005 10 0 "[ . 1 . 2]" 1
1217 1 12 ASP QB 1 13 ILE MD 4.620 . 4.620 3.459 2.984 4.587 . 0 0 "[ . 1 . 2]" 1
1218 1 93 ALA MB 1 94 GLN QG 5.180 . 5.180 4.200 3.181 4.828 . 0 0 "[ . 1 . 2]" 1
1219 1 90 MET HG2 1 95 ALA MB 4.760 . 4.760 3.601 3.165 4.280 . 0 0 "[ . 1 . 2]" 1
1220 1 63 VAL MG1 1 77 GLU HA 4.000 . 4.000 3.250 2.479 4.000 0.000 18 0 "[ . 1 . 2]" 1
1221 1 20 LEU HA 1 20 LEU HG 4.140 . 4.140 2.912 2.780 3.087 . 0 0 "[ . 1 . 2]" 1
1222 1 90 MET HG3 1 95 ALA MB 4.760 . 4.760 4.674 4.051 4.769 0.009 7 0 "[ . 1 . 2]" 1
1223 1 41 LEU MD1 1 102 ASN HB3 4.770 . 4.770 3.881 3.255 4.233 . 0 0 "[ . 1 . 2]" 1
1224 1 69 ALA HA 1 70 PRO HG3 5.040 . 5.040 4.592 3.922 4.694 . 0 0 "[ . 1 . 2]" 1
1225 1 87 TYR HA 1 87 TYR QE 4.450 . 4.450 4.377 4.202 4.484 0.034 4 0 "[ . 1 . 2]" 1
1226 1 13 ILE HA 1 16 TYR QD 4.380 . 4.380 4.159 3.669 4.381 0.001 2 0 "[ . 1 . 2]" 1
1227 1 53 TYR QD 1 85 LYS HA 4.370 . 4.370 3.684 3.010 4.375 0.005 19 0 "[ . 1 . 2]" 1
1228 1 104 LYS HA 1 109 TYR QD 4.440 . 4.440 3.635 2.094 4.448 0.008 10 0 "[ . 1 . 2]" 1
1229 1 49 GLU HG2 1 66 PHE QE 5.070 . 5.070 3.444 2.170 4.343 . 0 0 "[ . 1 . 2]" 1
1230 1 49 GLU HG3 1 66 PHE QE 5.070 . 5.070 3.334 2.208 4.970 . 0 0 "[ . 1 . 2]" 1
1231 1 41 LEU MD1 1 99 PHE QE 4.710 . 4.710 2.721 2.299 3.106 . 0 0 "[ . 1 . 2]" 1
1232 1 41 LEU MD1 1 99 PHE QD 5.010 . 5.010 3.740 3.455 4.008 . 0 0 "[ . 1 . 2]" 1
1233 1 35 PHE QE 1 75 GLU HG3 4.670 . 4.670 4.129 1.989 4.674 0.004 11 0 "[ . 1 . 2]" 1
1234 1 35 PHE QE 1 75 GLU HG2 4.670 . 4.670 4.436 3.712 4.678 0.008 19 0 "[ . 1 . 2]" 1
1235 1 44 TYR QE 1 98 GLU HG3 4.990 . 4.990 2.842 2.126 4.881 . 0 0 "[ . 1 . 2]" 1
1236 1 44 TYR QE 1 95 ALA MB 4.550 . 4.550 4.530 4.305 4.562 0.012 13 0 "[ . 1 . 2]" 1
1237 1 41 LEU MD2 1 44 TYR QE 5.090 . 5.090 4.634 4.247 5.025 . 0 0 "[ . 1 . 2]" 1
1238 1 53 TYR HA 1 84 HIS HD2 4.270 . 4.270 4.204 3.834 4.275 0.005 19 0 "[ . 1 . 2]" 1
1239 1 63 VAL MG2 1 66 PHE QD 4.860 . 4.860 4.194 3.879 4.514 . 0 0 "[ . 1 . 2]" 1
1240 1 4 MET QB 1 5 ASP H 4.140 . 4.140 3.034 2.201 3.726 . 0 0 "[ . 1 . 2]" 1
1241 1 5 ASP H 1 5 ASP QB 3.190 . 3.190 2.353 2.055 2.664 . 0 0 "[ . 1 . 2]" 1
1242 1 5 ASP QB 1 7 ALA H 4.370 . 4.370 2.886 2.346 3.544 . 0 0 "[ . 1 . 2]" 1
1243 1 5 ASP QB 1 8 GLN H 4.330 . 4.330 2.906 1.984 3.866 . 0 0 "[ . 1 . 2]" 1
1244 1 6 PRO QB 1 7 ALA H 3.950 . 3.950 3.485 3.270 3.685 . 0 0 "[ . 1 . 2]" 1
1245 1 8 GLN H 1 8 GLN QB 3.400 . 3.400 2.806 2.214 3.390 . 0 0 "[ . 1 . 2]" 1
1246 1 9 LEU H 1 9 LEU QB 3.620 . 3.620 2.600 2.075 2.912 . 0 0 "[ . 1 . 2]" 1
1247 1 12 ASP H 1 13 ILE QG 5.340 . 5.340 4.054 3.927 4.363 . 0 0 "[ . 1 . 2]" 1
1248 1 12 ASP HA 1 15 ARG QB 4.420 . 4.420 3.025 2.808 3.545 . 0 0 "[ . 1 . 2]" 1
1249 1 12 ASP HA 1 15 ARG QD 4.780 . 4.780 4.145 3.683 4.768 . 0 0 "[ . 1 . 2]" 1
1250 1 13 ILE HA 1 13 ILE QG 3.740 . 3.740 2.834 2.269 3.020 . 0 0 "[ . 1 . 2]" 1
1251 1 13 ILE HA 1 16 TYR QB 3.900 . 3.900 3.034 2.677 3.226 . 0 0 "[ . 1 . 2]" 1
1252 1 14 THR HA 1 17 TYR QB 5.050 . 5.050 2.925 2.713 3.061 . 0 0 "[ . 1 . 2]" 1
1253 1 14 THR HB 1 15 ARG QB 5.340 . 5.340 5.375 5.358 5.414 0.074 18 0 "[ . 1 . 2]" 1
1254 1 15 ARG HA 1 18 LEU QB 4.270 . 4.270 2.395 2.222 2.512 . 0 0 "[ . 1 . 2]" 1
1255 1 15 ARG QB 1 16 TYR H 3.980 . 3.980 2.489 2.334 3.487 . 0 0 "[ . 1 . 2]" 1
1256 1 15 ARG QD 1 100 LEU MD1 4.820 . 4.820 2.355 1.843 3.423 . 0 0 "[ . 1 . 2]" 1
1257 1 16 TYR QB 1 17 TYR H 3.340 . 3.340 2.272 2.196 2.340 . 0 0 "[ . 1 . 2]" 1
1258 1 16 TYR QB 1 20 LEU MD1 4.640 . 4.640 4.046 3.606 4.450 . 0 0 "[ . 1 . 2]" 1
1259 1 17 TYR H 1 17 TYR QB 3.320 . 3.320 2.296 2.176 2.387 . 0 0 "[ . 1 . 2]" 1
1260 1 17 TYR QB 1 18 LEU H 3.730 . 3.730 2.810 2.541 2.918 . 0 0 "[ . 1 . 2]" 1
1261 1 18 LEU H 1 18 LEU QB 3.240 . 3.240 2.081 2.039 2.124 . 0 0 "[ . 1 . 2]" 1
1262 1 18 LEU HA 1 21 GLN QB 4.090 . 4.090 2.954 2.678 4.005 . 0 0 "[ . 1 . 2]" 1
1263 1 18 LEU QB 1 19 CYS H 3.400 . 3.400 2.273 2.264 2.328 . 0 0 "[ . 1 . 2]" 1
1264 1 18 LEU HG 1 22 LEU QD 4.410 . 4.410 2.771 2.101 3.201 . 0 0 "[ . 1 . 2]" 1
1265 1 18 LEU MD1 1 21 GLN QB 4.460 . 4.460 3.634 3.288 4.413 . 0 0 "[ . 1 . 2]" 1
1266 1 18 LEU MD2 1 22 LEU QD 3.520 . 3.520 3.383 2.988 3.527 0.007 9 0 "[ . 1 . 2]" 1
1267 1 19 CYS H 1 19 CYS QB 3.450 . 3.450 2.278 2.045 2.566 . 0 0 "[ . 1 . 2]" 1
1268 1 19 CYS HA 1 22 LEU QB 4.750 . 4.750 2.584 2.477 2.817 . 0 0 "[ . 1 . 2]" 1
1269 1 19 CYS HA 1 22 LEU QD 3.490 . 3.490 3.071 2.659 3.444 . 0 0 "[ . 1 . 2]" 1
1270 1 19 CYS QB 1 20 LEU H 3.990 . 3.990 2.603 2.482 2.713 . 0 0 "[ . 1 . 2]" 1
1271 1 21 GLN H 1 21 GLN QB 3.090 . 3.090 2.168 2.048 2.575 . 0 0 "[ . 1 . 2]" 1
1272 1 21 GLN H 1 21 GLN QG 3.910 . 3.910 3.122 2.121 3.838 . 0 0 "[ . 1 . 2]" 1
1273 1 21 GLN H 1 22 LEU QD 5.440 . 5.440 4.963 3.587 5.353 . 0 0 "[ . 1 . 2]" 1
1274 1 21 GLN HA 1 21 GLN QG 3.620 . 3.620 2.250 2.010 3.342 . 0 0 "[ . 1 . 2]" 1
1275 1 21 GLN HA 1 24 GLN QB 4.010 . 4.010 2.813 2.325 3.841 . 0 0 "[ . 1 . 2]" 1
1276 1 21 GLN HA 1 24 GLN QG 4.580 . 4.580 2.974 1.869 3.782 . 0 0 "[ . 1 . 2]" 1
1277 1 21 GLN QB 1 22 LEU H 3.560 . 3.560 2.594 2.411 3.433 . 0 0 "[ . 1 . 2]" 1
1278 1 21 GLN QB 1 22 LEU HA 4.490 . 4.490 3.812 3.711 4.302 . 0 0 "[ . 1 . 2]" 1
1279 1 22 LEU H 1 22 LEU QB 3.650 . 3.650 2.137 2.048 2.280 . 0 0 "[ . 1 . 2]" 1
1280 1 22 LEU HA 1 22 LEU QD 3.460 . 3.460 2.269 1.944 2.983 . 0 0 "[ . 1 . 2]" 1
1281 1 22 LEU HA 1 25 ASP QB 4.250 . 4.250 2.977 2.789 3.152 . 0 0 "[ . 1 . 2]" 1
1282 1 22 LEU QB 1 22 LEU QD 2.840 . 2.840 1.885 1.796 2.045 0.004 15 0 "[ . 1 . 2]" 1
1283 1 22 LEU QB 1 23 ARG H 3.840 . 3.840 2.619 2.459 2.755 . 0 0 "[ . 1 . 2]" 1
1284 1 22 LEU QB 1 26 ILE MD 4.410 . 4.410 2.439 2.190 2.666 . 0 0 "[ . 1 . 2]" 1
1285 1 22 LEU QB 1 99 PHE QE 5.020 . 5.020 2.689 2.398 3.078 . 0 0 "[ . 1 . 2]" 1
1286 1 22 LEU QB 1 99 PHE HZ 3.610 . 3.610 2.023 1.876 2.345 . 0 0 "[ . 1 . 2]" 1
1287 1 22 LEU QB 1 100 LEU MD2 5.340 . 5.340 4.463 4.243 4.789 . 0 0 "[ . 1 . 2]" 1
1288 1 22 LEU QD 1 23 ARG H 4.850 . 4.850 4.023 3.768 4.168 . 0 0 "[ . 1 . 2]" 1
1289 1 22 LEU QD 1 99 PHE QE 4.100 . 4.100 2.097 1.901 2.874 . 0 0 "[ . 1 . 2]" 1
1290 1 22 LEU QD 1 99 PHE HZ 4.130 . 4.130 2.816 2.211 3.622 . 0 0 "[ . 1 . 2]" 1
1291 1 22 LEU QD 1 100 LEU HA 4.730 . 4.730 3.880 3.676 4.710 . 0 0 "[ . 1 . 2]" 1
1292 1 22 LEU QD 1 100 LEU MD2 3.260 . 3.260 3.036 2.760 3.278 0.018 12 0 "[ . 1 . 2]" 1
1293 1 22 LEU QD 1 104 LYS H 5.440 . 5.440 4.637 4.409 5.390 . 0 0 "[ . 1 . 2]" 1
1294 1 22 LEU QD 1 108 MET QG 4.940 . 4.940 2.963 1.926 3.766 . 0 0 "[ . 1 . 2]" 1
1295 1 22 LEU QD 1 108 MET ME 3.230 . 3.230 2.558 2.016 2.992 . 0 0 "[ . 1 . 2]" 1
1296 1 22 LEU QD 1 109 TYR QB 4.350 . 4.350 3.501 2.734 4.363 0.013 20 0 "[ . 1 . 2]" 1
1297 1 22 LEU QD 1 109 TYR QD 3.920 . 3.920 2.643 1.960 3.298 . 0 0 "[ . 1 . 2]" 1
1298 1 23 ARG H 1 23 ARG QB 3.500 . 3.500 2.142 2.044 2.247 . 0 0 "[ . 1 . 2]" 1
1299 1 23 ARG H 1 23 ARG QG 4.100 . 4.100 3.729 3.260 4.003 . 0 0 "[ . 1 . 2]" 1
1300 1 23 ARG QB 1 23 ARG HE 4.470 . 4.470 3.337 1.980 4.376 . 0 0 "[ . 1 . 2]" 1
1301 1 23 ARG QD 1 27 VAL MG1 3.990 . 3.990 2.684 1.840 3.771 . 0 0 "[ . 1 . 2]" 1
1302 1 23 ARG QD 1 27 VAL MG2 5.340 . 5.340 3.859 3.083 5.162 . 0 0 "[ . 1 . 2]" 1
1303 1 24 GLN H 1 24 GLN QB 3.250 . 3.250 2.266 2.056 2.669 . 0 0 "[ . 1 . 2]" 1
1304 1 24 GLN H 1 24 GLN QG 3.500 . 3.500 2.753 1.907 3.441 . 0 0 "[ . 1 . 2]" 1
1305 1 24 GLN QB 1 25 ASP H 4.100 . 4.100 2.917 2.588 3.458 . 0 0 "[ . 1 . 2]" 1
1306 1 24 GLN QG 1 25 ASP H 4.830 . 4.830 3.692 2.040 4.498 . 0 0 "[ . 1 . 2]" 1
1307 1 24 GLN QG 1 27 VAL MG2 4.530 . 4.530 3.720 3.141 4.417 . 0 0 "[ . 1 . 2]" 1
1308 1 25 ASP H 1 25 ASP QB 3.290 . 3.290 2.277 2.128 2.456 . 0 0 "[ . 1 . 2]" 1
1309 1 25 ASP HA 1 30 ARG QB 4.310 . 4.310 2.758 2.525 3.073 . 0 0 "[ . 1 . 2]" 1
1310 1 25 ASP QB 1 26 ILE H 3.820 . 3.820 2.627 2.437 2.792 . 0 0 "[ . 1 . 2]" 1
1311 1 25 ASP QB 1 31 LEU H 4.920 . 4.920 4.687 4.368 4.903 . 0 0 "[ . 1 . 2]" 1
1312 1 25 ASP QB 1 31 LEU QB 4.960 . 4.960 3.405 3.126 3.671 . 0 0 "[ . 1 . 2]" 1
1313 1 25 ASP QB 1 31 LEU MD1 3.810 . 3.810 3.567 2.725 3.816 0.006 1 0 "[ . 1 . 2]" 1
1314 1 26 ILE HA 1 31 LEU QB 5.250 . 5.250 3.519 2.870 3.868 . 0 0 "[ . 1 . 2]" 1
1315 1 26 ILE MG 1 70 PRO QD 4.040 . 4.040 3.680 3.412 3.873 . 0 0 "[ . 1 . 2]" 1
1316 1 27 VAL HA 1 70 PRO QD 4.200 . 4.200 2.182 1.982 2.598 . 0 0 "[ . 1 . 2]" 1
1317 1 27 VAL MG1 1 67 LYS QB 3.690 . 3.690 2.394 1.966 2.734 . 0 0 "[ . 1 . 2]" 1
1318 1 28 ALA MB 1 30 ARG QD 4.240 . 4.240 3.311 2.142 4.242 0.002 18 0 "[ . 1 . 2]" 1
1319 1 29 GLY H 1 70 PRO QB 5.040 . 5.040 4.238 3.861 4.851 . 0 0 "[ . 1 . 2]" 1
1320 1 30 ARG H 1 30 ARG QB 3.410 . 3.410 2.276 2.109 2.512 . 0 0 "[ . 1 . 2]" 1
1321 1 30 ARG HA 1 30 ARG QG 3.680 . 3.680 2.333 2.052 2.862 . 0 0 "[ . 1 . 2]" 1
1322 1 30 ARG HA 1 30 ARG QD 4.910 . 4.910 3.179 1.969 4.085 . 0 0 "[ . 1 . 2]" 1
1323 1 30 ARG QB 1 31 LEU H 3.850 . 3.850 3.463 3.405 3.525 . 0 0 "[ . 1 . 2]" 1
1324 1 31 LEU H 1 31 LEU QB 3.490 . 3.490 2.758 2.624 2.808 . 0 0 "[ . 1 . 2]" 1
1325 1 31 LEU HA 1 32 PRO QG 4.590 . 4.590 3.897 3.831 3.948 . 0 0 "[ . 1 . 2]" 1
1326 1 31 LEU QB 1 31 LEU MD1 3.270 . 3.270 2.016 1.933 2.092 . 0 0 "[ . 1 . 2]" 1
1327 1 31 LEU QB 1 32 PRO QD 4.380 . 4.380 3.379 2.639 3.722 . 0 0 "[ . 1 . 2]" 1
1328 1 31 LEU QB 1 108 MET ME 3.570 . 3.570 2.968 2.638 3.294 . 0 0 "[ . 1 . 2]" 1
1329 1 31 LEU MD1 1 108 MET QB 4.200 . 4.200 2.675 1.815 3.718 . 0 0 "[ . 1 . 2]" 1
1330 1 31 LEU MD1 1 108 MET QG 4.450 . 4.450 3.463 2.678 4.077 . 0 0 "[ . 1 . 2]" 1
1331 1 31 LEU MD2 1 108 MET QG 4.290 . 4.290 3.610 2.540 4.242 . 0 0 "[ . 1 . 2]" 1
1332 1 32 PRO QB 1 33 CYS H 3.580 . 3.580 3.373 3.260 3.458 . 0 0 "[ . 1 . 2]" 1
1333 1 33 CYS QB 1 34 SER H 4.130 . 4.130 2.469 2.290 3.238 . 0 0 "[ . 1 . 2]" 1
1334 1 33 CYS QB 1 37 THR HB 4.150 . 4.150 3.016 2.746 3.523 . 0 0 "[ . 1 . 2]" 1
1335 1 33 CYS QB 1 37 THR MG 3.760 . 3.760 3.021 2.829 3.503 . 0 0 "[ . 1 . 2]" 1
1336 1 33 CYS QB 1 38 LEU H 4.200 . 4.200 3.916 3.546 4.104 . 0 0 "[ . 1 . 2]" 1
1337 1 33 CYS QB 1 38 LEU MD2 3.980 . 3.980 2.566 2.106 2.896 . 0 0 "[ . 1 . 2]" 1
1338 1 34 SER QB 1 35 PHE H 3.770 . 3.770 2.728 2.385 3.303 . 0 0 "[ . 1 . 2]" 1
1339 1 34 SER QB 1 36 ALA H 4.440 . 4.440 2.960 2.751 3.524 . 0 0 "[ . 1 . 2]" 1
1340 1 34 SER QB 1 37 THR H 4.860 . 4.860 2.869 2.534 3.607 . 0 0 "[ . 1 . 2]" 1
1341 1 35 PHE H 1 35 PHE QB 3.460 . 3.460 2.242 2.236 2.247 . 0 0 "[ . 1 . 2]" 1
1342 1 35 PHE HA 1 38 LEU QB 4.740 . 4.740 2.447 2.334 2.561 . 0 0 "[ . 1 . 2]" 1
1343 1 35 PHE QB 1 36 ALA H 3.350 . 3.350 2.450 2.375 2.527 . 0 0 "[ . 1 . 2]" 1
1344 1 35 PHE QD 1 38 LEU QB 5.340 . 5.340 4.301 4.110 4.452 . 0 0 "[ . 1 . 2]" 1
1345 1 35 PHE QD 1 75 GLU QB 5.310 . 5.310 3.953 3.685 4.633 . 0 0 "[ . 1 . 2]" 1
1346 1 35 PHE QD 1 76 LEU QB 4.700 . 4.700 3.383 3.076 3.627 . 0 0 "[ . 1 . 2]" 1
1347 1 35 PHE QE 1 75 GLU QB 3.680 . 3.680 2.203 1.956 3.025 . 0 0 "[ . 1 . 2]" 1
1348 1 35 PHE QE 1 75 GLU QG 4.050 . 4.050 3.742 1.982 4.055 0.005 18 0 "[ . 1 . 2]" 1
1349 1 35 PHE QE 1 76 LEU QB 4.990 . 4.990 2.444 2.044 2.824 . 0 0 "[ . 1 . 2]" 1
1350 1 35 PHE QE 1 79 LYS QD 5.260 . 5.260 2.743 2.179 3.302 . 0 0 "[ . 1 . 2]" 1
1351 1 35 PHE HZ 1 75 GLU QB 4.020 . 4.020 2.329 1.981 2.761 . 0 0 "[ . 1 . 2]" 1
1352 1 35 PHE HZ 1 75 GLU QG 5.340 . 5.340 3.981 3.463 4.510 . 0 0 "[ . 1 . 2]" 1
1353 1 35 PHE HZ 1 79 LYS QG 4.180 . 4.180 3.991 3.736 4.183 0.003 6 0 "[ . 1 . 2]" 1
1354 1 35 PHE HZ 1 79 LYS QD 4.020 . 4.020 3.518 2.960 3.828 . 0 0 "[ . 1 . 2]" 1
1355 1 37 THR HA 1 40 LEU QB 3.830 . 3.830 2.295 2.263 2.344 . 0 0 "[ . 1 . 2]" 1
1356 1 38 LEU HA 1 41 LEU QB 4.270 . 4.270 3.264 3.148 3.421 . 0 0 "[ . 1 . 2]" 1
1357 1 38 LEU QB 1 39 ALA H 3.790 . 3.790 2.479 2.400 2.540 . 0 0 "[ . 1 . 2]" 1
1358 1 38 LEU QB 1 76 LEU MD1 3.520 . 3.520 2.208 2.057 2.332 . 0 0 "[ . 1 . 2]" 1
1359 1 38 LEU QB 1 76 LEU MD2 3.690 . 3.690 2.585 2.414 2.801 . 0 0 "[ . 1 . 2]" 1
1360 1 38 LEU MD2 1 70 PRO QD 5.160 . 5.160 3.546 3.128 3.840 . 0 0 "[ . 1 . 2]" 1
1361 1 39 ALA MB 1 79 LYS QG 3.500 . 3.500 2.285 1.882 2.547 . 0 0 "[ . 1 . 2]" 1
1362 1 39 ALA MB 1 79 LYS QD 4.210 . 4.210 3.884 3.603 4.083 . 0 0 "[ . 1 . 2]" 1
1363 1 40 LEU H 1 40 LEU QB 3.220 . 3.220 2.232 2.224 2.242 . 0 0 "[ . 1 . 2]" 1
1364 1 40 LEU HA 1 43 SER QB 5.160 . 5.160 2.989 2.736 3.810 . 0 0 "[ . 1 . 2]" 1
1365 1 40 LEU QB 1 41 LEU H 3.780 . 3.780 2.358 2.326 2.375 . 0 0 "[ . 1 . 2]" 1
1366 1 40 LEU MD1 1 102 ASN QD 4.920 . 4.920 2.857 2.431 3.554 . 0 0 "[ . 1 . 2]" 1
1367 1 40 LEU MD2 1 102 ASN QD 4.620 . 4.620 2.479 2.256 2.832 . 0 0 "[ . 1 . 2]" 1
1368 1 41 LEU H 1 41 LEU QB 3.480 . 3.480 2.506 2.444 2.586 . 0 0 "[ . 1 . 2]" 1
1369 1 41 LEU HA 1 44 TYR QB 4.510 . 4.510 2.924 2.727 3.056 . 0 0 "[ . 1 . 2]" 1
1370 1 41 LEU QB 1 42 GLY H 3.830 . 3.830 2.688 2.659 2.701 . 0 0 "[ . 1 . 2]" 1
1371 1 41 LEU QB 1 99 PHE QE 4.290 . 4.290 2.025 1.957 2.225 . 0 0 "[ . 1 . 2]" 1
1372 1 41 LEU QB 1 99 PHE HZ 5.340 . 5.340 4.314 4.152 4.537 . 0 0 "[ . 1 . 2]" 1
1373 1 43 SER H 1 43 SER QB 3.480 . 3.480 2.425 2.222 2.639 . 0 0 "[ . 1 . 2]" 1
1374 1 43 SER QB 1 80 VAL HA 4.820 . 4.820 3.049 1.966 3.672 . 0 0 "[ . 1 . 2]" 1
1375 1 43 SER QB 1 80 VAL MG1 4.530 . 4.530 3.509 2.792 3.951 . 0 0 "[ . 1 . 2]" 1
1376 1 43 SER QB 1 83 LEU QB 3.870 . 3.870 2.099 1.789 2.363 0.011 4 0 "[ . 1 . 2]" 1
1377 1 43 SER QB 1 83 LEU MD1 4.570 . 4.570 2.428 2.068 2.812 . 0 0 "[ . 1 . 2]" 1
1378 1 43 SER QB 1 87 TYR QE 3.760 . 3.760 2.778 2.300 3.471 . 0 0 "[ . 1 . 2]" 1
1379 1 44 TYR QE 1 98 GLU QG 4.160 . 4.160 2.594 2.116 3.480 . 0 0 "[ . 1 . 2]" 1
1380 1 46 ILE H 1 46 ILE QG 3.620 . 3.620 2.101 2.013 2.187 . 0 0 "[ . 1 . 2]" 1
1381 1 46 ILE HA 1 49 GLU QB 4.070 . 4.070 2.351 2.267 2.454 . 0 0 "[ . 1 . 2]" 1
1382 1 46 ILE MG 1 84 HIS QB 4.950 . 4.950 3.364 2.907 3.623 . 0 0 "[ . 1 . 2]" 1
1383 1 46 ILE QG 1 63 VAL MG2 3.900 . 3.900 3.450 3.185 3.730 . 0 0 "[ . 1 . 2]" 1
1384 1 46 ILE QG 1 80 VAL MG1 3.420 . 3.420 2.018 1.926 2.185 . 0 0 "[ . 1 . 2]" 1
1385 1 46 ILE QG 1 80 VAL MG2 4.280 . 4.280 3.837 3.650 4.011 . 0 0 "[ . 1 . 2]" 1
1386 1 47 GLN QE 1 51 GLY QA 4.410 . 4.410 3.993 3.347 4.414 0.004 6 0 "[ . 1 . 2]" 1
1387 1 47 GLN QE 1 52 ASP H 4.730 . 4.730 4.245 3.633 4.732 0.002 7 0 "[ . 1 . 2]" 1
1388 1 47 GLN QE 1 52 ASP HA 4.030 . 4.030 2.403 1.941 2.835 . 0 0 "[ . 1 . 2]" 1
1389 1 47 GLN QE 1 90 MET H 4.090 . 4.090 3.870 2.946 4.097 0.007 14 0 "[ . 1 . 2]" 1
1390 1 47 GLN QE 1 90 MET QB 4.790 . 4.790 3.069 2.022 3.682 . 0 0 "[ . 1 . 2]" 1
1391 1 49 GLU H 1 49 GLU QB 3.390 . 3.390 2.103 2.091 2.131 . 0 0 "[ . 1 . 2]" 1
1392 1 49 GLU H 1 49 GLU QG 4.070 . 4.070 3.467 3.102 3.943 . 0 0 "[ . 1 . 2]" 1
1393 1 49 GLU QB 1 50 LEU H 3.900 . 3.900 2.676 2.598 2.738 . 0 0 "[ . 1 . 2]" 1
1394 1 49 GLU QB 1 50 LEU MD2 3.750 . 3.750 3.800 3.782 3.816 0.066 11 0 "[ . 1 . 2]" 1
1395 1 49 GLU QB 1 51 GLY H 4.820 . 4.820 4.376 4.322 4.426 . 0 0 "[ . 1 . 2]" 1
1396 1 49 GLU QB 1 66 PHE QE 4.630 . 4.630 2.854 2.113 3.550 . 0 0 "[ . 1 . 2]" 1
1397 1 49 GLU QG 1 66 PHE QE 4.270 . 4.270 2.725 2.155 3.914 . 0 0 "[ . 1 . 2]" 1
1398 1 51 GLY QA 1 52 ASP H 3.070 . 3.070 2.179 2.119 2.245 . 0 0 "[ . 1 . 2]" 1
1399 1 51 GLY QA 1 52 ASP HA 4.410 . 4.410 3.950 3.933 3.981 . 0 0 "[ . 1 . 2]" 1
1400 1 53 TYR H 1 53 TYR QB 3.560 . 3.560 2.269 2.213 2.367 . 0 0 "[ . 1 . 2]" 1
1401 1 53 TYR QB 1 85 LYS HA 4.240 . 4.240 2.529 1.985 3.079 . 0 0 "[ . 1 . 2]" 1
1402 1 53 TYR QD 1 85 LYS QG 4.740 . 4.740 2.746 2.174 3.768 . 0 0 "[ . 1 . 2]" 1
1403 1 53 TYR QE 1 55 PRO QD 4.430 . 4.430 3.209 2.469 3.737 . 0 0 "[ . 1 . 2]" 1
1404 1 54 ASP HA 1 55 PRO QD 3.570 . 3.570 1.999 1.905 2.070 . 0 0 "[ . 1 . 2]" 1
1405 1 55 PRO QB 1 57 LEU H 5.340 . 5.340 4.807 4.078 5.257 . 0 0 "[ . 1 . 2]" 1
1406 1 56 GLU H 1 56 GLU QB 3.070 . 3.070 2.623 2.479 2.781 . 0 0 "[ . 1 . 2]" 1
1407 1 56 GLU H 1 56 GLU QG 3.270 . 3.270 2.088 1.962 2.533 . 0 0 "[ . 1 . 2]" 1
1408 1 56 GLU HA 1 56 GLU QG 3.630 . 3.630 3.344 3.317 3.404 . 0 0 "[ . 1 . 2]" 1
1409 1 56 GLU QB 1 57 LEU H 4.250 . 4.250 3.490 3.347 3.637 . 0 0 "[ . 1 . 2]" 1
1410 1 56 GLU QG 1 57 LEU H 4.600 . 4.600 2.097 1.939 2.446 . 0 0 "[ . 1 . 2]" 1
1411 1 56 GLU QG 1 57 LEU HB3 5.340 . 5.340 4.585 4.338 4.993 . 0 0 "[ . 1 . 2]" 1
1412 1 56 GLU QG 1 57 LEU MD2 5.330 . 5.330 2.574 1.805 3.386 . 0 0 "[ . 1 . 2]" 1
1413 1 58 HIS H 1 58 HIS QB 3.560 . 3.560 2.729 2.249 3.390 . 0 0 "[ . 1 . 2]" 1
1414 1 58 HIS H 1 59 GLY QA 5.340 . 5.340 4.625 3.979 5.089 . 0 0 "[ . 1 . 2]" 1
1415 1 58 HIS QB 1 59 GLY H 4.050 . 4.050 2.359 1.942 3.822 . 0 0 "[ . 1 . 2]" 1
1416 1 59 GLY QA 1 60 VAL H 3.100 . 3.100 2.209 2.105 2.657 . 0 0 "[ . 1 . 2]" 1
1417 1 61 ASP H 1 61 ASP QB 3.650 . 3.650 2.828 2.182 3.402 . 0 0 "[ . 1 . 2]" 1
1418 1 62 TYR QE 1 81 MET QG 4.920 . 4.920 2.868 1.839 3.198 . 0 0 "[ . 1 . 2]" 1
1419 1 63 VAL MG1 1 66 PHE QB 4.330 . 4.330 2.813 1.994 3.546 . 0 0 "[ . 1 . 2]" 1
1420 1 63 VAL MG1 1 77 GLU QG 4.270 . 4.270 3.341 2.338 3.962 . 0 0 "[ . 1 . 2]" 1
1421 1 63 VAL MG1 1 81 MET QG 4.820 . 4.820 3.743 3.427 4.357 . 0 0 "[ . 1 . 2]" 1
1422 1 63 VAL MG2 1 81 MET QB 4.360 . 4.360 3.695 3.509 4.106 . 0 0 "[ . 1 . 2]" 1
1423 1 63 VAL MG2 1 81 MET QG 3.550 . 3.550 1.940 1.791 2.356 0.009 20 0 "[ . 1 . 2]" 1
1424 1 64 SER QB 1 65 ASP H 4.030 . 4.030 3.276 3.170 3.742 . 0 0 "[ . 1 . 2]" 1
1425 1 64 SER QB 1 66 PHE H 5.340 . 5.340 4.930 4.785 5.171 . 0 0 "[ . 1 . 2]" 1
1426 1 65 ASP H 1 65 ASP QB 3.110 . 3.110 2.275 2.117 2.825 . 0 0 "[ . 1 . 2]" 1
1427 1 65 ASP QB 1 66 PHE H 4.420 . 4.420 2.955 2.828 3.592 . 0 0 "[ . 1 . 2]" 1
1428 1 65 ASP QB 1 66 PHE QD 4.470 . 4.470 3.300 2.798 4.468 . 0 0 "[ . 1 . 2]" 1
1429 1 65 ASP QB 1 66 PHE QE 5.130 . 5.130 3.612 3.202 4.945 . 0 0 "[ . 1 . 2]" 1
1430 1 66 PHE H 1 66 PHE QB 3.370 . 3.370 2.441 2.307 2.577 . 0 0 "[ . 1 . 2]" 1
1431 1 66 PHE QB 1 67 LYS H 3.620 . 3.620 3.229 2.819 3.353 . 0 0 "[ . 1 . 2]" 1
1432 1 66 PHE QB 1 68 LEU MD1 5.070 . 5.070 3.582 2.699 4.001 . 0 0 "[ . 1 . 2]" 1
1433 1 66 PHE QB 1 68 LEU MD2 3.980 . 3.980 2.578 2.058 3.101 . 0 0 "[ . 1 . 2]" 1
1434 1 67 LYS H 1 67 LYS QB 3.270 . 3.270 2.454 2.135 2.778 . 0 0 "[ . 1 . 2]" 1
1435 1 67 LYS H 1 67 LYS QG 3.650 . 3.650 2.497 2.055 3.148 . 0 0 "[ . 1 . 2]" 1
1436 1 67 LYS QB 1 68 LEU H 4.450 . 4.450 3.708 3.614 3.810 . 0 0 "[ . 1 . 2]" 1
1437 1 67 LYS QE 1 67 LYS QG 3.470 . 3.470 2.158 1.991 2.409 . 0 0 "[ . 1 . 2]" 1
1438 1 68 LEU H 1 68 LEU QB 3.630 . 3.630 2.666 2.585 2.796 . 0 0 "[ . 1 . 2]" 1
1439 1 68 LEU QB 1 69 ALA H 3.760 . 3.760 3.011 2.946 3.162 . 0 0 "[ . 1 . 2]" 1
1440 1 68 LEU QB 1 76 LEU MD1 5.010 . 5.010 3.495 3.063 3.887 . 0 0 "[ . 1 . 2]" 1
1441 1 68 LEU MD1 1 72 GLN QE 3.860 . 3.860 2.041 1.838 2.405 . 0 0 "[ . 1 . 2]" 1
1442 1 69 ALA H 1 72 GLN QB 4.170 . 4.170 3.596 3.299 4.166 . 0 0 "[ . 1 . 2]" 1
1443 1 69 ALA MB 1 70 PRO QD 3.400 . 3.400 1.943 1.890 2.068 . 0 0 "[ . 1 . 2]" 1
1444 1 69 ALA MB 1 72 GLN QB 4.060 . 4.060 3.527 3.320 3.675 . 0 0 "[ . 1 . 2]" 1
1445 1 70 PRO QB 1 71 ASN H 4.060 . 4.060 2.914 1.961 3.286 . 0 0 "[ . 1 . 2]" 1
1446 1 70 PRO QD 1 71 ASN H 3.940 . 3.940 2.668 2.397 2.854 . 0 0 "[ . 1 . 2]" 1
1447 1 71 ASN HA 1 71 ASN QD 4.150 . 4.150 3.333 1.984 4.013 . 0 0 "[ . 1 . 2]" 1
1448 1 71 ASN QB 1 72 GLN H 4.080 . 4.080 3.943 3.869 4.006 . 0 0 "[ . 1 . 2]" 1
1449 1 72 GLN QB 1 73 THR H 4.030 . 4.030 3.798 3.737 3.843 . 0 0 "[ . 1 . 2]" 1
1450 1 72 GLN QB 1 76 LEU MD2 4.770 . 4.770 3.208 2.949 3.432 . 0 0 "[ . 1 . 2]" 1
1451 1 72 GLN QE 1 73 THR H 5.340 . 5.340 5.278 5.053 5.354 0.014 8 0 "[ . 1 . 2]" 1
1452 1 72 GLN QE 1 76 LEU HG 4.670 . 4.670 3.743 2.758 4.414 . 0 0 "[ . 1 . 2]" 1
1453 1 72 GLN QE 1 76 LEU MD2 3.930 . 3.930 3.095 2.503 3.892 . 0 0 "[ . 1 . 2]" 1
1454 1 73 THR H 1 76 LEU QB 3.640 . 3.640 2.163 2.002 2.227 . 0 0 "[ . 1 . 2]" 1
1455 1 74 LYS H 1 74 LYS QB 3.260 . 3.260 2.390 2.058 2.661 . 0 0 "[ . 1 . 2]" 1
1456 1 74 LYS HA 1 77 GLU QB 3.830 . 3.830 2.355 2.239 2.586 . 0 0 "[ . 1 . 2]" 1
1457 1 75 GLU H 1 75 GLU QB 3.160 . 3.160 2.301 2.051 2.709 . 0 0 "[ . 1 . 2]" 1
1458 1 75 GLU H 1 75 GLU QG 3.720 . 3.720 2.779 1.921 3.682 . 0 0 "[ . 1 . 2]" 1
1459 1 75 GLU HA 1 75 GLU QG 3.580 . 3.580 2.515 2.018 3.319 . 0 0 "[ . 1 . 2]" 1
1460 1 75 GLU QB 1 76 LEU H 3.930 . 3.930 2.485 2.207 3.308 . 0 0 "[ . 1 . 2]" 1
1461 1 75 GLU QB 1 77 GLU H 5.340 . 5.340 4.589 4.404 5.209 . 0 0 "[ . 1 . 2]" 1
1462 1 76 LEU H 1 76 LEU QB 3.160 . 3.160 2.220 2.207 2.235 . 0 0 "[ . 1 . 2]" 1
1463 1 76 LEU QB 1 77 GLU H 4.040 . 4.040 2.551 2.436 2.667 . 0 0 "[ . 1 . 2]" 1
1464 1 76 LEU MD1 1 79 LYS QG 5.340 . 5.340 4.331 4.127 4.493 . 0 0 "[ . 1 . 2]" 1
1465 1 77 GLU H 1 77 GLU QB 3.380 . 3.380 2.229 2.052 2.526 . 0 0 "[ . 1 . 2]" 1
1466 1 77 GLU H 1 77 GLU QG 3.920 . 3.920 2.815 2.031 3.736 . 0 0 "[ . 1 . 2]" 1
1467 1 77 GLU QB 1 78 GLU H 3.820 . 3.820 2.392 2.261 2.506 . 0 0 "[ . 1 . 2]" 1
1468 1 77 GLU QB 1 78 GLU QG 3.570 . 3.570 3.394 3.129 3.575 0.005 9 0 "[ . 1 . 2]" 1
1469 1 77 GLU QB 1 81 MET ME 3.710 . 3.710 2.117 1.915 2.652 . 0 0 "[ . 1 . 2]" 1
1470 1 77 GLU QG 1 78 GLU H 5.080 . 5.080 4.167 3.875 4.304 . 0 0 "[ . 1 . 2]" 1
1471 1 78 GLU H 1 78 GLU QG 3.140 . 3.140 2.427 2.115 2.668 . 0 0 "[ . 1 . 2]" 1
1472 1 78 GLU QG 1 81 MET ME 4.050 . 4.050 3.390 2.898 3.683 . 0 0 "[ . 1 . 2]" 1
1473 1 79 LYS H 1 79 LYS QD 3.980 . 3.980 3.530 3.101 3.959 . 0 0 "[ . 1 . 2]" 1
1474 1 79 LYS HA 1 79 LYS QD 3.510 . 3.510 2.284 2.077 2.684 . 0 0 "[ . 1 . 2]" 1
1475 1 79 LYS QE 1 83 LEU HG 4.730 . 4.730 3.853 2.711 4.458 . 0 0 "[ . 1 . 2]" 1
1476 1 79 LYS QE 1 83 LEU MD1 4.300 . 4.300 3.378 2.418 4.076 . 0 0 "[ . 1 . 2]" 1
1477 1 79 LYS QE 1 83 LEU MD2 4.030 . 4.030 3.716 2.827 4.031 0.001 8 0 "[ . 1 . 2]" 1
1478 1 80 VAL HA 1 83 LEU QB 5.070 . 5.070 3.201 3.003 3.451 . 0 0 "[ . 1 . 2]" 1
1479 1 81 MET H 1 81 MET QG 3.830 . 3.830 2.029 1.952 2.626 . 0 0 "[ . 1 . 2]" 1
1480 1 81 MET ME 1 81 MET QG 3.530 . 3.530 2.163 1.964 2.256 . 0 0 "[ . 1 . 2]" 1
1481 1 81 MET QG 1 82 GLU H 4.840 . 4.840 3.931 3.812 4.287 . 0 0 "[ . 1 . 2]" 1
1482 1 82 GLU H 1 82 GLU QG 4.240 . 4.240 3.610 2.767 4.021 . 0 0 "[ . 1 . 2]" 1
1483 1 82 GLU HA 1 82 GLU QG 3.560 . 3.560 2.208 2.014 2.478 . 0 0 "[ . 1 . 2]" 1
1484 1 82 GLU QG 1 83 LEU H 5.340 . 5.340 4.049 3.505 4.327 . 0 0 "[ . 1 . 2]" 1
1485 1 83 LEU QB 1 84 HIS H 3.750 . 3.750 2.644 2.560 2.765 . 0 0 "[ . 1 . 2]" 1
1486 1 83 LEU QB 1 87 TYR QE 4.340 . 4.340 2.752 2.397 3.219 . 0 0 "[ . 1 . 2]" 1
1487 1 84 HIS HA 1 87 TYR QB 5.020 . 5.020 3.774 3.073 4.523 . 0 0 "[ . 1 . 2]" 1
1488 1 84 HIS QB 1 85 LYS H 3.570 . 3.570 2.235 2.201 2.343 . 0 0 "[ . 1 . 2]" 1
1489 1 85 LYS H 1 85 LYS QB 3.520 . 3.520 2.287 2.052 2.607 . 0 0 "[ . 1 . 2]" 1
1490 1 85 LYS H 1 85 LYS QG 4.080 . 4.080 3.443 1.996 4.016 . 0 0 "[ . 1 . 2]" 1
1491 1 85 LYS HA 1 85 LYS QG 3.530 . 3.530 2.446 2.207 2.618 . 0 0 "[ . 1 . 2]" 1
1492 1 85 LYS QB 1 86 SER H 4.350 . 4.350 2.846 2.715 2.973 . 0 0 "[ . 1 . 2]" 1
1493 1 86 SER H 1 86 SER QB 3.530 . 3.530 2.239 2.050 2.352 . 0 0 "[ . 1 . 2]" 1
1494 1 87 TYR H 1 87 TYR QB 3.610 . 3.610 2.431 2.207 2.559 . 0 0 "[ . 1 . 2]" 1
1495 1 87 TYR QB 1 90 MET ME 3.910 . 3.910 2.421 1.963 2.829 . 0 0 "[ . 1 . 2]" 1
1496 1 90 MET QB 1 90 MET ME 3.340 . 3.340 2.131 1.924 2.447 . 0 0 "[ . 1 . 2]" 1
1497 1 90 MET QB 1 95 ALA MB 4.730 . 4.730 4.519 4.144 4.747 0.017 16 0 "[ . 1 . 2]" 1
1498 1 90 MET ME 1 90 MET QG 3.220 . 3.220 2.393 2.161 2.531 . 0 0 "[ . 1 . 2]" 1
1499 1 90 MET QG 1 91 THR H 3.970 . 3.970 2.068 1.933 2.359 . 0 0 "[ . 1 . 2]" 1
1500 1 90 MET QG 1 94 GLN H 5.230 . 5.230 3.932 3.807 4.141 . 0 0 "[ . 1 . 2]" 1
1501 1 90 MET QG 1 95 ALA H 4.580 . 4.580 3.363 3.110 3.620 . 0 0 "[ . 1 . 2]" 1
1502 1 90 MET QG 1 95 ALA MB 4.010 . 4.010 3.481 3.113 3.988 . 0 0 "[ . 1 . 2]" 1
1503 1 90 MET ME 1 94 GLN QB 4.420 . 4.420 3.480 2.962 3.932 . 0 0 "[ . 1 . 2]" 1
1504 1 91 THR H 1 94 GLN QB 4.000 . 4.000 2.464 2.205 2.746 . 0 0 "[ . 1 . 2]" 1
1505 1 92 PRO QG 1 93 ALA H 3.610 . 3.610 2.561 2.113 3.566 . 0 0 "[ . 1 . 2]" 1
1506 1 93 ALA HA 1 96 ASP QB 5.120 . 5.120 2.364 2.155 2.642 . 0 0 "[ . 1 . 2]" 1
1507 1 94 GLN H 1 94 GLN QB 3.390 . 3.390 2.131 2.040 2.478 . 0 0 "[ . 1 . 2]" 1
1508 1 94 GLN H 1 94 GLN QE 4.440 . 4.440 3.950 2.987 4.442 0.002 2 0 "[ . 1 . 2]" 1
1509 1 94 GLN H 1 97 LEU QB 4.970 . 4.970 4.819 4.720 4.873 . 0 0 "[ . 1 . 2]" 1
1510 1 94 GLN QB 1 95 ALA H 3.810 . 3.810 2.615 2.416 2.741 . 0 0 "[ . 1 . 2]" 1
1511 1 94 GLN QB 1 95 ALA MB 4.260 . 4.260 3.780 3.747 3.829 . 0 0 "[ . 1 . 2]" 1
1512 1 96 ASP H 1 96 ASP QB 3.320 . 3.320 2.211 2.037 2.591 . 0 0 "[ . 1 . 2]" 1
1513 1 96 ASP H 1 97 LEU QB 4.820 . 4.820 4.421 4.314 4.477 . 0 0 "[ . 1 . 2]" 1
1514 1 96 ASP HA 1 99 PHE QB 3.800 3.800 3.800 3.731 3.703 3.744 0.097 16 0 "[ . 1 . 2]" 1
1515 1 96 ASP QB 1 97 LEU H 4.060 . 4.060 2.616 2.504 2.693 . 0 0 "[ . 1 . 2]" 1
1516 1 97 LEU QB 1 97 LEU MD2 2.810 . 2.810 2.073 2.054 2.095 . 0 0 "[ . 1 . 2]" 1
1517 1 98 GLU H 1 98 GLU QG 3.430 . 3.430 2.653 2.300 3.221 . 0 0 "[ . 1 . 2]" 1
1518 1 98 GLU HA 1 101 GLU QB 4.160 . 4.160 2.917 2.697 3.040 . 0 0 "[ . 1 . 2]" 1
1519 1 99 PHE H 1 99 PHE QB 3.380 . 3.380 2.240 2.224 2.256 . 0 0 "[ . 1 . 2]" 1
1520 1 99 PHE QB 1 100 LEU H 3.510 . 3.510 2.607 2.525 2.716 . 0 0 "[ . 1 . 2]" 1
1521 1 99 PHE QB 1 100 LEU MD2 4.850 . 4.850 4.059 3.771 4.527 . 0 0 "[ . 1 . 2]" 1
1522 1 100 LEU H 1 100 LEU QB 3.320 . 3.320 2.340 2.285 2.385 . 0 0 "[ . 1 . 2]" 1
1523 1 100 LEU QB 1 100 LEU MD1 3.000 . 3.000 2.069 2.022 2.101 . 0 0 "[ . 1 . 2]" 1
1524 1 100 LEU QB 1 101 GLU H 4.100 . 4.100 2.596 2.538 2.668 . 0 0 "[ . 1 . 2]" 1
1525 1 100 LEU QB 1 103 ALA MB 4.890 . 4.890 4.449 4.343 4.590 . 0 0 "[ . 1 . 2]" 1
1526 1 101 GLU H 1 101 GLU QB 3.180 . 3.180 2.265 2.228 2.318 . 0 0 "[ . 1 . 2]" 1
1527 1 101 GLU QB 1 102 ASN H 3.620 . 3.620 2.757 2.704 2.772 . 0 0 "[ . 1 . 2]" 1
1528 1 101 GLU QB 1 102 ASN QD 4.420 . 4.420 3.480 3.273 4.046 . 0 0 "[ . 1 . 2]" 1
1529 1 102 ASN H 1 102 ASN QD 3.730 . 3.730 2.921 2.781 3.154 . 0 0 "[ . 1 . 2]" 1
1530 1 103 ALA MB 1 108 MET QB 5.120 . 5.120 2.779 1.954 4.470 . 0 0 "[ . 1 . 2]" 1
1531 1 103 ALA MB 1 108 MET QG 5.060 . 5.060 2.677 1.962 3.469 . 0 0 "[ . 1 . 2]" 1
1532 1 104 LYS QB 1 104 LYS QE 4.180 . 4.180 2.925 1.945 3.690 . 0 0 "[ . 1 . 2]" 1
1533 1 104 LYS QB 1 109 TYR QE 5.250 . 5.250 3.639 2.995 4.337 . 0 0 "[ . 1 . 2]" 1
1534 1 105 LYS H 1 105 LYS QG 4.080 . 4.080 3.568 2.750 3.979 . 0 0 "[ . 1 . 2]" 1
1535 1 105 LYS HA 1 105 LYS QG 3.470 . 3.470 2.175 2.004 2.417 . 0 0 "[ . 1 . 2]" 1
1536 1 105 LYS QE 1 105 LYS QG 3.470 . 3.470 2.186 1.966 2.645 . 0 0 "[ . 1 . 2]" 1
1537 1 108 MET H 1 108 MET QB 3.530 . 3.530 2.573 2.415 2.761 . 0 0 "[ . 1 . 2]" 1
1538 1 108 MET H 1 108 MET QG 3.480 . 3.480 2.171 1.961 2.614 . 0 0 "[ . 1 . 2]" 1
1539 1 108 MET HA 1 108 MET QG 3.540 . 3.540 2.723 2.320 3.339 . 0 0 "[ . 1 . 2]" 1
1540 1 108 MET QB 1 108 MET ME 3.370 . 3.370 2.485 1.984 3.031 . 0 0 "[ . 1 . 2]" 1
1541 1 108 MET QB 1 109 TYR H 4.040 . 4.040 2.986 2.559 4.032 . 0 0 "[ . 1 . 2]" 1
1542 1 108 MET QG 1 109 TYR QD 4.880 . 4.880 3.929 3.116 4.606 . 0 0 "[ . 1 . 2]" 1
1543 1 108 MET QG 1 109 TYR QE 4.370 . 4.370 4.311 3.898 4.379 0.009 20 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 88
_Distance_constraint_stats_list.Viol_count 449
_Distance_constraint_stats_list.Viol_total 121.512
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0135
_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 11 GLU 0.073 0.021 19 0 "[ . 1 . 2]"
1 12 ASP 0.080 0.039 10 0 "[ . 1 . 2]"
1 13 ILE 0.136 0.018 1 0 "[ . 1 . 2]"
1 14 THR 0.243 0.023 1 0 "[ . 1 . 2]"
1 15 ARG 0.082 0.021 19 0 "[ . 1 . 2]"
1 16 TYR 0.425 0.039 10 0 "[ . 1 . 2]"
1 17 TYR 0.239 0.018 1 0 "[ . 1 . 2]"
1 18 LEU 0.243 0.023 1 0 "[ . 1 . 2]"
1 19 CYS 0.035 0.010 10 0 "[ . 1 . 2]"
1 20 LEU 0.380 0.026 10 0 "[ . 1 . 2]"
1 21 GLN 0.224 0.029 14 0 "[ . 1 . 2]"
1 22 LEU 0.022 0.009 1 0 "[ . 1 . 2]"
1 23 ARG 0.115 0.018 19 0 "[ . 1 . 2]"
1 24 GLN 0.035 0.008 10 0 "[ . 1 . 2]"
1 25 ASP 0.122 0.029 14 0 "[ . 1 . 2]"
1 26 ILE 0.022 0.009 1 0 "[ . 1 . 2]"
1 27 VAL 0.090 0.018 19 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.382 0.028 6 0 "[ . 1 . 2]"
1 38 LEU 0.130 0.014 11 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.440 0.030 11 0 "[ . 1 . 2]"
1 41 LEU 0.597 0.028 14 0 "[ . 1 . 2]"
1 42 GLY 0.138 0.014 11 0 "[ . 1 . 2]"
1 43 SER 0.486 0.034 19 0 "[ . 1 . 2]"
1 44 TYR 0.440 0.030 11 0 "[ . 1 . 2]"
1 45 THR 0.233 0.028 14 0 "[ . 1 . 2]"
1 46 ILE 0.340 0.032 19 0 "[ . 1 . 2]"
1 47 GLN 0.486 0.034 19 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.019 0.006 14 0 "[ . 1 . 2]"
1 50 LEU 0.332 0.032 19 0 "[ . 1 . 2]"
1 74 LYS 0.224 0.019 9 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.120 0.012 1 0 "[ . 1 . 2]"
1 77 GLU 0.037 0.007 19 0 "[ . 1 . 2]"
1 78 GLU 0.477 0.029 5 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.249 0.019 15 0 "[ . 1 . 2]"
1 81 MET 0.040 0.007 19 0 "[ . 1 . 2]"
1 82 GLU 0.293 0.029 5 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 HIS 0.129 0.019 15 0 "[ . 1 . 2]"
1 85 LYS 0.003 0.003 17 0 "[ . 1 . 2]"
1 86 SER 0.040 0.007 3 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 0.009 0.006 16 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 0.235 0.037 16 0 "[ . 1 . 2]"
1 96 ASP 0.699 0.054 4 0 "[ . 1 . 2]"
1 97 LEU 0.172 0.013 19 0 "[ . 1 . 2]"
1 98 GLU 0.434 0.035 5 0 "[ . 1 . 2]"
1 99 PHE 0.380 0.037 16 0 "[ . 1 . 2]"
1 100 LEU 0.699 0.054 4 0 "[ . 1 . 2]"
1 101 GLU 0.453 0.026 20 0 "[ . 1 . 2]"
1 102 ASN 0.434 0.035 5 0 "[ . 1 . 2]"
1 103 ALA 0.144 0.016 13 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LYS 0.291 0.026 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 GLU O 1 15 ARG N 3.200 2.700 3.200 3.036 2.735 3.156 . 0 0 "[ . 1 . 2]" 2
2 1 11 GLU O 1 15 ARG H 2.200 . 2.200 2.100 1.779 2.215 0.021 19 0 "[ . 1 . 2]" 2
3 1 12 ASP O 1 16 TYR N 3.200 2.700 3.200 3.082 2.945 3.184 . 0 0 "[ . 1 . 2]" 2
4 1 12 ASP O 1 16 TYR H 2.200 . 2.200 2.125 1.978 2.239 0.039 10 0 "[ . 1 . 2]" 2
5 1 13 ILE O 1 17 TYR N 3.200 2.700 3.200 3.163 3.024 3.191 . 0 0 "[ . 1 . 2]" 2
6 1 13 ILE O 1 17 TYR H 2.200 . 2.200 2.190 2.045 2.218 0.018 1 0 "[ . 1 . 2]" 2
7 1 14 THR O 1 18 LEU N 3.200 2.700 3.200 2.699 2.678 2.746 0.022 11 0 "[ . 1 . 2]" 2
8 1 14 THR O 1 18 LEU H 2.200 . 2.200 1.855 1.777 1.901 0.023 1 0 "[ . 1 . 2]" 2
9 1 15 ARG O 1 19 CYS N 3.200 2.700 3.200 2.901 2.767 3.171 . 0 0 "[ . 1 . 2]" 2
10 1 15 ARG O 1 19 CYS H 2.200 . 2.200 1.925 1.790 2.198 0.010 10 0 "[ . 1 . 2]" 2
11 1 16 TYR O 1 20 LEU N 3.200 2.700 3.200 3.159 3.132 3.179 . 0 0 "[ . 1 . 2]" 2
12 1 16 TYR O 1 20 LEU H 2.200 . 2.200 2.217 2.204 2.226 0.026 10 0 "[ . 1 . 2]" 2
13 1 17 TYR O 1 21 GLN N 3.200 2.700 3.200 3.052 2.802 3.151 . 0 0 "[ . 1 . 2]" 2
14 1 17 TYR O 1 21 GLN H 2.200 . 2.200 2.139 1.849 2.211 0.011 10 0 "[ . 1 . 2]" 2
15 1 18 LEU O 1 22 LEU N 3.200 2.700 3.200 2.875 2.775 3.021 . 0 0 "[ . 1 . 2]" 2
16 1 18 LEU O 1 22 LEU H 2.200 . 2.200 1.910 1.803 2.069 . 0 0 "[ . 1 . 2]" 2
17 1 19 CYS O 1 23 ARG N 3.200 2.700 3.200 2.773 2.702 2.964 . 0 0 "[ . 1 . 2]" 2
18 1 19 CYS O 1 23 ARG H 2.200 . 2.200 1.839 1.794 2.003 0.006 10 0 "[ . 1 . 2]" 2
19 1 20 LEU O 1 24 GLN N 3.200 2.700 3.200 2.942 2.780 3.042 . 0 0 "[ . 1 . 2]" 2
20 1 20 LEU O 1 24 GLN H 2.200 . 2.200 2.158 1.890 2.208 0.008 10 0 "[ . 1 . 2]" 2
21 1 21 GLN O 1 25 ASP N 3.200 2.700 3.200 3.067 2.923 3.149 . 0 0 "[ . 1 . 2]" 2
22 1 21 GLN O 1 25 ASP H 2.200 . 2.200 2.164 2.033 2.229 0.029 14 0 "[ . 1 . 2]" 2
23 1 22 LEU O 1 26 ILE N 3.200 2.700 3.200 3.093 3.008 3.136 . 0 0 "[ . 1 . 2]" 2
24 1 22 LEU O 1 26 ILE H 2.200 . 2.200 2.156 2.043 2.209 0.009 1 0 "[ . 1 . 2]" 2
25 1 23 ARG O 1 27 VAL N 3.200 2.700 3.200 3.138 3.038 3.179 . 0 0 "[ . 1 . 2]" 2
26 1 23 ARG O 1 27 VAL H 2.200 . 2.200 2.180 2.081 2.218 0.018 19 0 "[ . 1 . 2]" 2
27 1 35 PHE O 1 39 ALA N 3.200 2.700 3.200 2.893 2.848 2.941 . 0 0 "[ . 1 . 2]" 2
28 1 35 PHE O 1 39 ALA H 2.200 . 2.200 1.934 1.897 2.000 . 0 0 "[ . 1 . 2]" 2
29 1 36 ALA O 1 40 LEU N 3.200 2.700 3.200 2.840 2.807 2.888 . 0 0 "[ . 1 . 2]" 2
30 1 36 ALA O 1 40 LEU H 2.200 . 2.200 1.972 1.922 2.030 . 0 0 "[ . 1 . 2]" 2
31 1 37 THR O 1 41 LEU N 3.200 2.700 3.200 2.753 2.745 2.760 . 0 0 "[ . 1 . 2]" 2
32 1 37 THR O 1 41 LEU H 2.200 . 2.200 1.781 1.772 1.788 0.028 6 0 "[ . 1 . 2]" 2
33 1 38 LEU O 1 42 GLY N 3.200 2.700 3.200 3.031 2.954 3.059 . 0 0 "[ . 1 . 2]" 2
34 1 38 LEU O 1 42 GLY H 2.200 . 2.200 2.204 2.156 2.214 0.014 11 0 "[ . 1 . 2]" 2
35 1 39 ALA O 1 43 SER N 3.200 2.700 3.200 2.803 2.733 2.866 . 0 0 "[ . 1 . 2]" 2
36 1 39 ALA O 1 43 SER H 2.200 . 2.200 1.852 1.801 1.907 . 0 0 "[ . 1 . 2]" 2
37 1 40 LEU O 1 44 TYR N 3.200 2.700 3.200 3.115 3.073 3.145 . 0 0 "[ . 1 . 2]" 2
38 1 40 LEU O 1 44 TYR H 2.200 . 2.200 2.222 2.214 2.230 0.030 11 0 "[ . 1 . 2]" 2
39 1 41 LEU O 1 45 THR N 3.200 2.700 3.200 3.139 3.114 3.161 . 0 0 "[ . 1 . 2]" 2
40 1 41 LEU O 1 45 THR H 2.200 . 2.200 2.211 2.202 2.228 0.028 14 0 "[ . 1 . 2]" 2
41 1 42 GLY O 1 46 ILE N 3.200 2.700 3.200 2.859 2.750 2.990 . 0 0 "[ . 1 . 2]" 2
42 1 42 GLY O 1 46 ILE H 2.200 . 2.200 1.909 1.792 2.043 0.008 13 0 "[ . 1 . 2]" 2
43 1 43 SER O 1 47 GLN N 3.200 2.700 3.200 3.167 3.159 3.178 . 0 0 "[ . 1 . 2]" 2
44 1 43 SER O 1 47 GLN H 2.200 . 2.200 2.224 2.213 2.234 0.034 19 0 "[ . 1 . 2]" 2
45 1 44 TYR O 1 48 SER N 3.200 2.700 3.200 2.960 2.900 3.036 . 0 0 "[ . 1 . 2]" 2
46 1 44 TYR O 1 48 SER H 2.200 . 2.200 2.065 1.995 2.131 . 0 0 "[ . 1 . 2]" 2
47 1 45 THR O 1 49 GLU N 3.200 2.700 3.200 2.737 2.694 2.835 0.006 14 0 "[ . 1 . 2]" 2
48 1 45 THR O 1 49 GLU H 2.200 . 2.200 1.998 1.911 2.155 . 0 0 "[ . 1 . 2]" 2
49 1 46 ILE O 1 50 LEU N 3.200 2.700 3.200 2.747 2.730 2.775 . 0 0 "[ . 1 . 2]" 2
50 1 46 ILE O 1 50 LEU H 2.200 . 2.200 1.784 1.768 1.812 0.032 19 0 "[ . 1 . 2]" 2
51 1 74 LYS O 1 78 GLU N 3.200 2.700 3.200 2.752 2.726 2.780 . 0 0 "[ . 1 . 2]" 2
52 1 74 LYS O 1 78 GLU H 2.200 . 2.200 1.789 1.781 1.800 0.019 9 0 "[ . 1 . 2]" 2
53 1 75 GLU O 1 79 LYS N 3.200 2.700 3.200 3.006 2.818 3.150 . 0 0 "[ . 1 . 2]" 2
54 1 75 GLU O 1 79 LYS H 2.200 . 2.200 2.040 1.856 2.193 . 0 0 "[ . 1 . 2]" 2
55 1 76 LEU O 1 80 VAL N 3.200 2.700 3.200 3.016 2.965 3.049 . 0 0 "[ . 1 . 2]" 2
56 1 76 LEU O 1 80 VAL H 2.200 . 2.200 2.201 2.122 2.212 0.012 1 0 "[ . 1 . 2]" 2
57 1 77 GLU O 1 81 MET N 3.200 2.700 3.200 3.135 3.082 3.161 . 0 0 "[ . 1 . 2]" 2
58 1 77 GLU O 1 81 MET H 2.200 . 2.200 2.183 2.116 2.207 0.007 19 0 "[ . 1 . 2]" 2
59 1 78 GLU O 1 82 GLU N 3.200 2.700 3.200 2.749 2.716 2.788 . 0 0 "[ . 1 . 2]" 2
60 1 78 GLU O 1 82 GLU H 2.200 . 2.200 1.790 1.771 1.825 0.029 5 0 "[ . 1 . 2]" 2
61 1 79 LYS O 1 83 LEU N 3.200 2.700 3.200 2.985 2.891 3.108 . 0 0 "[ . 1 . 2]" 2
62 1 79 LYS O 1 83 LEU H 2.200 . 2.200 2.040 1.953 2.146 . 0 0 "[ . 1 . 2]" 2
63 1 80 VAL O 1 84 HIS N 3.200 2.700 3.200 3.074 2.978 3.126 . 0 0 "[ . 1 . 2]" 2
64 1 80 VAL O 1 84 HIS H 2.200 . 2.200 2.191 2.121 2.219 0.019 15 0 "[ . 1 . 2]" 2
65 1 81 MET O 1 85 LYS N 3.200 2.700 3.200 3.034 2.824 3.172 . 0 0 "[ . 1 . 2]" 2
66 1 81 MET O 1 85 LYS H 2.200 . 2.200 2.060 1.848 2.203 0.003 17 0 "[ . 1 . 2]" 2
67 1 82 GLU O 1 86 SER N 3.200 2.700 3.200 2.739 2.693 2.968 0.007 3 0 "[ . 1 . 2]" 2
68 1 82 GLU O 1 86 SER H 2.200 . 2.200 1.906 1.805 2.135 . 0 0 "[ . 1 . 2]" 2
69 1 92 PRO O 1 96 ASP N 3.200 2.700 3.200 2.900 2.790 3.023 . 0 0 "[ . 1 . 2]" 2
70 1 92 PRO O 1 96 ASP H 2.200 . 2.200 1.945 1.834 2.062 . 0 0 "[ . 1 . 2]" 2
71 1 93 ALA O 1 97 LEU N 3.200 2.700 3.200 2.816 2.738 2.914 . 0 0 "[ . 1 . 2]" 2
72 1 93 ALA O 1 97 LEU H 2.200 . 2.200 1.896 1.794 2.059 0.006 16 0 "[ . 1 . 2]" 2
73 1 94 GLN O 1 98 GLU N 3.200 2.700 3.200 2.850 2.741 2.965 . 0 0 "[ . 1 . 2]" 2
74 1 94 GLN O 1 98 GLU H 2.200 . 2.200 2.025 1.882 2.193 . 0 0 "[ . 1 . 2]" 2
75 1 95 ALA O 1 99 PHE N 3.200 2.700 3.200 3.175 3.133 3.203 0.003 16 0 "[ . 1 . 2]" 2
76 1 95 ALA O 1 99 PHE H 2.200 . 2.200 2.208 2.153 2.237 0.037 16 0 "[ . 1 . 2]" 2
77 1 96 ASP O 1 100 LEU N 3.200 2.700 3.200 3.146 3.119 3.185 . 0 0 "[ . 1 . 2]" 2
78 1 96 ASP O 1 100 LEU H 2.200 . 2.200 2.235 2.222 2.254 0.054 4 0 "[ . 1 . 2]" 2
79 1 97 LEU O 1 101 GLU N 3.200 2.700 3.200 2.712 2.687 2.956 0.013 19 0 "[ . 1 . 2]" 2
80 1 97 LEU O 1 101 GLU H 2.200 . 2.200 1.848 1.794 2.111 0.006 19 0 "[ . 1 . 2]" 2
81 1 98 GLU O 1 102 ASN N 3.200 2.700 3.200 3.014 2.980 3.039 . 0 0 "[ . 1 . 2]" 2
82 1 98 GLU O 1 102 ASN H 2.200 . 2.200 2.222 2.209 2.235 0.035 5 0 "[ . 1 . 2]" 2
83 1 99 PHE O 1 103 ALA N 3.200 2.700 3.200 2.777 2.755 2.882 . 0 0 "[ . 1 . 2]" 2
84 1 99 PHE O 1 103 ALA H 2.200 . 2.200 1.801 1.784 1.906 0.016 13 0 "[ . 1 . 2]" 2
85 1 100 LEU O 1 104 LYS N 3.200 2.700 3.200 2.894 2.804 2.937 . 0 0 "[ . 1 . 2]" 2
86 1 100 LEU O 1 104 LYS H 2.200 . 2.200 2.011 1.924 2.050 . 0 0 "[ . 1 . 2]" 2
87 1 101 GLU O 1 105 LYS N 3.200 2.700 3.200 3.033 2.975 3.107 . 0 0 "[ . 1 . 2]" 2
88 1 101 GLU O 1 105 LYS H 2.200 . 2.200 2.215 2.204 2.226 0.026 20 0 "[ . 1 . 2]" 2
stop_
save_
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