NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461324 |
2dav   |
11212 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dav
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 2614
_Distance_constraint_stats_list.Viol_count 1746
_Distance_constraint_stats_list.Viol_total 707.500
_Distance_constraint_stats_list.Viol_max 0.289
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0203
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.109 0.109 11 0 "[ . 1 . 2]"
1 10 PHE 0.005 0.005 5 0 "[ . 1 . 2]"
1 11 ILE 0.375 0.067 20 0 "[ . 1 . 2]"
1 12 GLU 0.452 0.102 17 0 "[ . 1 . 2]"
1 13 LYS 0.255 0.059 17 0 "[ . 1 . 2]"
1 14 PRO 0.033 0.017 20 0 "[ . 1 . 2]"
1 15 GLN 0.014 0.007 10 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.095 0.017 7 0 "[ . 1 . 2]"
1 18 THR 0.350 0.045 13 0 "[ . 1 . 2]"
1 19 VAL 0.321 0.036 17 0 "[ . 1 . 2]"
1 20 LYS 1.177 0.045 14 0 "[ . 1 . 2]"
1 21 VAL 0.398 0.058 7 0 "[ . 1 . 2]"
1 22 GLY 0.787 0.058 7 0 "[ . 1 . 2]"
1 23 GLU 2.640 0.136 6 0 "[ . 1 . 2]"
1 24 ASP 0.745 0.136 6 0 "[ . 1 . 2]"
1 25 ILE 0.529 0.073 17 0 "[ . 1 . 2]"
1 26 THR 0.507 0.038 8 0 "[ . 1 . 2]"
1 27 PHE 0.739 0.064 12 0 "[ . 1 . 2]"
1 28 ILE 1.716 0.080 17 0 "[ . 1 . 2]"
1 29 ALA 0.162 0.035 17 0 "[ . 1 . 2]"
1 30 LYS 1.182 0.102 17 0 "[ . 1 . 2]"
1 31 VAL 0.157 0.033 20 0 "[ . 1 . 2]"
1 32 LYS 0.522 0.071 20 0 "[ . 1 . 2]"
1 33 ALA 0.113 0.038 20 0 "[ . 1 . 2]"
1 34 GLU 0.277 0.071 20 0 "[ . 1 . 2]"
1 35 ASP 0.114 0.020 5 0 "[ . 1 . 2]"
1 36 LEU 0.117 0.046 14 0 "[ . 1 . 2]"
1 37 LEU 0.234 0.067 14 0 "[ . 1 . 2]"
1 38 ARG 0.676 0.174 5 0 "[ . 1 . 2]"
1 39 LYS 1.387 0.224 20 0 "[ . 1 . 2]"
1 40 PRO 0.167 0.037 17 0 "[ . 1 . 2]"
1 41 THR 0.277 0.031 7 0 "[ . 1 . 2]"
1 42 ILE 0.209 0.031 7 0 "[ . 1 . 2]"
1 43 LYS 0.383 0.065 4 0 "[ . 1 . 2]"
1 44 TRP 0.157 0.024 4 0 "[ . 1 . 2]"
1 45 PHE 0.668 0.085 18 0 "[ . 1 . 2]"
1 46 LYS 1.256 0.088 1 0 "[ . 1 . 2]"
1 47 GLY 0.136 0.049 17 0 "[ . 1 . 2]"
1 48 LYS 0.545 0.247 15 0 "[ . 1 . 2]"
1 49 TRP 0.164 0.056 7 0 "[ . 1 . 2]"
1 50 MET 0.793 0.098 8 0 "[ . 1 . 2]"
1 51 ASP 0.105 0.039 15 0 "[ . 1 . 2]"
1 52 LEU 0.435 0.098 8 0 "[ . 1 . 2]"
1 53 ALA 0.814 0.086 4 0 "[ . 1 . 2]"
1 54 SER 0.773 0.086 4 0 "[ . 1 . 2]"
1 55 LYS 0.316 0.031 14 0 "[ . 1 . 2]"
1 56 ALA 0.220 0.025 10 0 "[ . 1 . 2]"
1 57 GLY 0.005 0.005 9 0 "[ . 1 . 2]"
1 58 LYS 1.599 0.250 6 0 "[ . 1 . 2]"
1 59 HIS 0.561 0.080 12 0 "[ . 1 . 2]"
1 60 LEU 2.466 0.140 8 0 "[ . 1 . 2]"
1 61 GLN 0.870 0.041 6 0 "[ . 1 . 2]"
1 62 LEU 3.104 0.235 19 0 "[ . 1 . 2]"
1 63 LYS 2.933 0.235 19 0 "[ . 1 . 2]"
1 64 GLU 0.455 0.063 14 0 "[ . 1 . 2]"
1 65 THR 0.218 0.033 1 0 "[ . 1 . 2]"
1 66 PHE 0.287 0.033 1 0 "[ . 1 . 2]"
1 67 GLU 0.604 0.035 3 0 "[ . 1 . 2]"
1 68 ARG 0.768 0.034 20 0 "[ . 1 . 2]"
1 69 HIS 0.202 0.028 6 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 0.280 0.029 13 0 "[ . 1 . 2]"
1 72 VAL 0.309 0.061 4 0 "[ . 1 . 2]"
1 73 TYR 0.465 0.097 17 0 "[ . 1 . 2]"
1 74 THR 0.587 0.097 17 0 "[ . 1 . 2]"
1 75 PHE 0.235 0.038 11 0 "[ . 1 . 2]"
1 76 GLU 1.304 0.063 14 0 "[ . 1 . 2]"
1 77 MET 3.176 0.118 20 0 "[ . 1 . 2]"
1 78 GLN 4.234 0.118 20 0 "[ . 1 . 2]"
1 79 ILE 1.380 0.073 9 0 "[ . 1 . 2]"
1 80 ILE 1.119 0.073 9 0 "[ . 1 . 2]"
1 81 LYS 0.191 0.029 19 0 "[ . 1 . 2]"
1 82 ALA 1.721 0.055 17 0 "[ . 1 . 2]"
1 83 LYS 0.308 0.084 7 0 "[ . 1 . 2]"
1 84 ASP 0.385 0.061 19 0 "[ . 1 . 2]"
1 85 ASN 0.018 0.011 9 0 "[ . 1 . 2]"
1 86 PHE 1.404 0.084 7 0 "[ . 1 . 2]"
1 87 ALA 0.100 0.026 20 0 "[ . 1 . 2]"
1 88 GLY 0.095 0.022 3 0 "[ . 1 . 2]"
1 89 ASN 0.132 0.022 3 0 "[ . 1 . 2]"
1 90 TYR 0.240 0.026 15 0 "[ . 1 . 2]"
1 91 ARG 0.013 0.007 2 0 "[ . 1 . 2]"
1 92 CYS 0.007 0.007 2 0 "[ . 1 . 2]"
1 93 GLU 0.069 0.024 4 0 "[ . 1 . 2]"
1 94 VAL 0.047 0.027 14 0 "[ . 1 . 2]"
1 95 THR 0.221 0.078 13 0 "[ . 1 . 2]"
1 96 TYR 0.512 0.097 19 0 "[ . 1 . 2]"
1 97 LYS 1.520 0.174 5 0 "[ . 1 . 2]"
1 98 ASP 0.478 0.138 13 0 "[ . 1 . 2]"
1 99 LYS 0.307 0.138 13 0 "[ . 1 . 2]"
1 100 PHE 0.403 0.078 13 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 SER 0.066 0.035 14 0 "[ . 1 . 2]"
1 103 CYS 0.016 0.011 4 0 "[ . 1 . 2]"
1 104 SER 0.048 0.023 13 0 "[ . 1 . 2]"
1 105 PHE 0.005 0.005 16 0 "[ . 1 . 2]"
1 106 ASP 0.007 0.007 10 0 "[ . 1 . 2]"
1 107 LEU 0.399 0.056 19 0 "[ . 1 . 2]"
1 108 GLU 0.542 0.056 19 0 "[ . 1 . 2]"
1 109 VAL 0.828 0.061 19 0 "[ . 1 . 2]"
1 110 HIS 0.860 0.034 4 0 "[ . 1 . 2]"
1 111 GLU 0.043 0.017 15 0 "[ . 1 . 2]"
1 112 SER 0.171 0.028 7 0 "[ . 1 . 2]"
1 113 THR 0.583 0.289 9 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 ILE 0.058 0.047 9 0 "[ . 1 . 2]"
1 120 ASP 0.058 0.047 9 0 "[ . 1 . 2]"
1 121 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 SER 0.053 0.053 12 0 "[ . 1 . 2]"
1 126 GLY 0.053 0.053 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 90 TYR H 1 106 ASP HA . . 4.340 2.935 2.478 3.424 . 0 0 "[ . 1 . 2]" 1
2 1 27 PHE H 1 77 MET H . . 3.760 2.353 2.207 2.473 . 0 0 "[ . 1 . 2]" 1
3 1 44 TRP HZ2 1 77 MET H . . 4.300 4.253 4.143 4.309 0.009 7 0 "[ . 1 . 2]" 1
4 1 76 GLU HA 1 77 MET H . . 2.950 2.439 2.407 2.467 . 0 0 "[ . 1 . 2]" 1
5 1 28 ILE HA 1 77 MET H . . 4.800 4.599 4.459 4.693 . 0 0 "[ . 1 . 2]" 1
6 1 27 PHE QB 1 77 MET H . . 4.090 3.216 3.004 3.391 . 0 0 "[ . 1 . 2]" 1
7 1 76 GLU QG 1 77 MET H . . 4.080 4.007 3.890 4.058 . 0 0 "[ . 1 . 2]" 1
8 1 76 GLU HB3 1 77 MET H . . 3.790 2.412 2.343 2.482 . 0 0 "[ . 1 . 2]" 1
9 1 76 GLU HB2 1 77 MET H . . 3.930 3.380 3.293 3.537 . 0 0 "[ . 1 . 2]" 1
10 1 63 LYS HB2 1 77 MET H . . 5.500 5.051 4.920 5.347 . 0 0 "[ . 1 . 2]" 1
11 1 77 MET H 1 77 MET HG2 . . 4.640 4.497 4.377 4.618 . 0 0 "[ . 1 . 2]" 1
12 1 77 MET H 1 77 MET HB3 . . 3.780 2.746 2.681 2.850 . 0 0 "[ . 1 . 2]" 1
13 1 77 MET H 1 77 MET HB2 . . 4.020 3.239 3.159 3.317 . 0 0 "[ . 1 . 2]" 1
14 1 12 GLU HA 1 13 LYS H . . 2.610 2.288 2.181 2.368 . 0 0 "[ . 1 . 2]" 1
15 1 13 LYS H 1 13 LYS QE . . 5.260 4.338 2.874 5.319 0.059 17 0 "[ . 1 . 2]" 1
16 1 12 GLU HB2 1 13 LYS H . . 4.530 4.139 4.029 4.322 . 0 0 "[ . 1 . 2]" 1
17 1 12 GLU HB3 1 13 LYS H . . 3.790 3.506 3.291 3.801 0.011 19 0 "[ . 1 . 2]" 1
18 1 13 LYS H 1 13 LYS HB2 . . 3.960 2.750 2.456 3.634 . 0 0 "[ . 1 . 2]" 1
19 1 13 LYS H 1 13 LYS HB3 . . 3.960 3.787 3.522 3.895 . 0 0 "[ . 1 . 2]" 1
20 1 95 THR HA 1 101 ASP H . . 4.320 3.712 3.182 4.309 . 0 0 "[ . 1 . 2]" 1
21 1 68 ARG H 1 69 HIS H . . 4.270 2.657 2.580 2.807 . 0 0 "[ . 1 . 2]" 1
22 1 68 ARG H 1 68 ARG QD . . 3.490 1.853 1.819 1.904 . 0 0 "[ . 1 . 2]" 1
23 1 67 GLU HB3 1 68 ARG H . . 4.070 3.972 3.756 4.052 . 0 0 "[ . 1 . 2]" 1
24 1 68 ARG H 1 68 ARG HB3 . . 3.290 2.930 2.802 2.971 . 0 0 "[ . 1 . 2]" 1
25 1 68 ARG H 1 68 ARG HG2 . . 3.880 2.016 1.890 2.239 . 0 0 "[ . 1 . 2]" 1
26 1 68 ARG H 1 71 ARG H . . 5.240 4.487 4.294 4.712 . 0 0 "[ . 1 . 2]" 1
27 1 60 LEU H 1 61 GLN H . . 4.570 4.420 4.354 4.471 . 0 0 "[ . 1 . 2]" 1
28 1 61 GLN H 1 79 ILE HA . . 4.220 3.120 2.987 3.263 . 0 0 "[ . 1 . 2]" 1
29 1 61 GLN H 1 61 GLN HG2 . . 3.960 3.296 3.157 3.407 . 0 0 "[ . 1 . 2]" 1
30 1 61 GLN H 1 61 GLN HB3 . . 3.910 3.892 3.862 3.905 . 0 0 "[ . 1 . 2]" 1
31 1 61 GLN H 1 61 GLN HB2 . . 3.460 2.847 2.788 2.867 . 0 0 "[ . 1 . 2]" 1
32 1 60 LEU HB3 1 61 GLN H . . 4.250 4.049 3.959 4.083 . 0 0 "[ . 1 . 2]" 1
33 1 60 LEU HB2 1 61 GLN H . . 4.190 3.897 3.831 3.970 . 0 0 "[ . 1 . 2]" 1
34 1 60 LEU MD2 1 61 GLN H . . 4.000 3.954 3.031 4.033 0.033 13 0 "[ . 1 . 2]" 1
35 1 119 ILE HA 1 120 ASP H . . 2.930 2.170 2.139 2.242 . 0 0 "[ . 1 . 2]" 1
36 1 96 TYR H 1 96 TYR QB . . 3.600 2.533 2.280 2.915 . 0 0 "[ . 1 . 2]" 1
37 1 120 ASP H 1 120 ASP HB3 . . 4.030 3.192 2.264 3.958 . 0 0 "[ . 1 . 2]" 1
38 1 119 ILE HB 1 120 ASP H . . 4.440 4.156 3.904 4.376 . 0 0 "[ . 1 . 2]" 1
39 1 119 ILE MG 1 120 ASP H . . 4.040 2.433 1.978 2.841 . 0 0 "[ . 1 . 2]" 1
40 1 65 THR HB 1 66 PHE H . . 4.140 3.892 3.757 4.098 . 0 0 "[ . 1 . 2]" 1
41 1 66 PHE H 1 66 PHE QB . . 3.460 2.499 2.398 2.587 . 0 0 "[ . 1 . 2]" 1
42 1 19 VAL H 1 19 VAL MG1 . . 3.010 2.048 1.912 2.245 . 0 0 "[ . 1 . 2]" 1
43 1 61 GLN HB3 1 62 LEU H . . 3.560 3.367 3.309 3.516 . 0 0 "[ . 1 . 2]" 1
44 1 62 LEU H 1 62 LEU HB2 . . 3.260 2.646 2.624 2.695 . 0 0 "[ . 1 . 2]" 1
45 1 62 LEU H 1 62 LEU HB3 . . 4.000 3.659 3.623 3.681 . 0 0 "[ . 1 . 2]" 1
46 1 60 LEU HG 1 62 LEU H . . 4.610 4.068 3.998 4.555 . 0 0 "[ . 1 . 2]" 1
47 1 66 PHE H 1 66 PHE QD . . 4.520 4.233 4.171 4.290 . 0 0 "[ . 1 . 2]" 1
48 1 61 GLN H 1 62 LEU H . . 4.560 4.130 4.102 4.153 . 0 0 "[ . 1 . 2]" 1
49 1 61 GLN HA 1 62 LEU H . . 2.780 2.145 2.139 2.150 . 0 0 "[ . 1 . 2]" 1
50 1 87 ALA H 1 88 GLY H . . 4.700 4.467 4.329 4.618 . 0 0 "[ . 1 . 2]" 1
51 1 86 PHE HB3 1 87 ALA H . . 4.240 4.072 3.907 4.243 0.003 6 0 "[ . 1 . 2]" 1
52 1 87 ALA H 1 109 VAL HB . . 4.360 3.958 3.678 4.349 . 0 0 "[ . 1 . 2]" 1
53 1 87 ALA H 1 109 VAL MG2 . . 3.360 2.254 2.069 2.553 . 0 0 "[ . 1 . 2]" 1
54 1 86 PHE HB2 1 87 ALA H . . 4.260 3.363 3.202 3.608 . 0 0 "[ . 1 . 2]" 1
55 1 64 GLU H 1 65 THR H . . 4.300 4.186 4.126 4.247 . 0 0 "[ . 1 . 2]" 1
56 1 64 GLU H 1 64 GLU QG . . 4.310 4.072 3.881 4.290 . 0 0 "[ . 1 . 2]" 1
57 1 63 LYS HB3 1 64 GLU H . . 3.620 3.481 3.361 3.569 . 0 0 "[ . 1 . 2]" 1
58 1 39 LYS H 1 39 LYS HB2 . . 3.860 3.235 2.624 3.429 . 0 0 "[ . 1 . 2]" 1
59 1 39 LYS H 1 39 LYS HB3 . . 3.860 2.774 2.552 3.700 . 0 0 "[ . 1 . 2]" 1
60 1 57 GLY H 1 60 LEU H . . 3.450 2.692 2.410 2.848 . 0 0 "[ . 1 . 2]" 1
61 1 59 HIS H 1 60 LEU H . . 3.120 2.486 2.200 2.645 . 0 0 "[ . 1 . 2]" 1
62 1 56 ALA HA 1 60 LEU H . . 3.790 3.644 3.386 3.802 0.012 1 0 "[ . 1 . 2]" 1
63 1 60 LEU H 1 60 LEU HB2 . . 3.580 3.279 3.148 3.378 . 0 0 "[ . 1 . 2]" 1
64 1 55 LYS HB3 1 56 ALA H . . 4.720 3.932 3.825 4.123 . 0 0 "[ . 1 . 2]" 1
65 1 63 LYS H 1 76 GLU H . . 3.560 3.214 3.025 3.478 . 0 0 "[ . 1 . 2]" 1
66 1 63 LYS H 1 78 GLN H . . 4.280 3.931 3.751 4.196 . 0 0 "[ . 1 . 2]" 1
67 1 63 LYS H 1 64 GLU H . . 4.420 4.405 4.364 4.452 0.032 14 0 "[ . 1 . 2]" 1
68 1 63 LYS H 1 75 PHE HA . . 5.060 4.941 4.796 5.080 0.020 14 0 "[ . 1 . 2]" 1
69 1 62 LEU HA 1 63 LYS H . . 2.810 2.380 2.283 2.424 . 0 0 "[ . 1 . 2]" 1
70 1 63 LYS H 1 77 MET HA . . 3.890 3.074 2.884 3.334 . 0 0 "[ . 1 . 2]" 1
71 1 63 LYS H 1 63 LYS HB3 . . 3.260 3.092 2.990 3.170 . 0 0 "[ . 1 . 2]" 1
72 1 62 LEU HB3 1 63 LYS H . . 3.420 2.532 2.431 2.764 . 0 0 "[ . 1 . 2]" 1
73 1 63 LYS H 1 63 LYS QG . . 4.340 4.212 4.124 4.298 . 0 0 "[ . 1 . 2]" 1
74 1 109 VAL H 1 110 HIS H . . 4.250 4.209 4.133 4.263 0.013 1 0 "[ . 1 . 2]" 1
75 1 109 VAL H 1 110 HIS HD2 . . 4.830 3.314 3.150 3.488 . 0 0 "[ . 1 . 2]" 1
76 1 87 ALA HA 1 109 VAL H . . 4.580 4.198 3.886 4.410 . 0 0 "[ . 1 . 2]" 1
77 1 108 GLU HB3 1 109 VAL H . . 3.550 2.828 2.614 2.989 . 0 0 "[ . 1 . 2]" 1
78 1 109 VAL H 1 109 VAL HB . . 3.330 2.789 2.745 2.855 . 0 0 "[ . 1 . 2]" 1
79 1 109 VAL H 1 109 VAL MG2 . . 3.360 2.703 2.555 2.904 . 0 0 "[ . 1 . 2]" 1
80 1 109 VAL H 1 109 VAL MG1 . . 4.060 3.913 3.893 3.940 . 0 0 "[ . 1 . 2]" 1
81 1 26 THR H 1 27 PHE H . . 4.430 4.326 4.201 4.404 . 0 0 "[ . 1 . 2]" 1
82 1 25 ILE H 1 26 THR H . . 4.620 4.472 4.443 4.503 . 0 0 "[ . 1 . 2]" 1
83 1 25 ILE HA 1 26 THR H . . 2.810 2.305 2.285 2.340 . 0 0 "[ . 1 . 2]" 1
84 1 25 ILE HB 1 26 THR H . . 4.100 3.843 3.759 3.917 . 0 0 "[ . 1 . 2]" 1
85 1 25 ILE HG13 1 26 THR H . . 3.270 1.969 1.904 2.051 . 0 0 "[ . 1 . 2]" 1
86 1 25 ILE MG 1 26 THR H . . 3.850 3.680 3.478 3.798 . 0 0 "[ . 1 . 2]" 1
87 1 25 ILE MD 1 26 THR H . . 3.670 3.633 3.547 3.676 0.006 7 0 "[ . 1 . 2]" 1
88 1 25 ILE HG12 1 26 THR H . . 3.460 2.553 2.381 2.685 . 0 0 "[ . 1 . 2]" 1
89 1 60 LEU H 1 60 LEU HB3 . . 3.340 2.585 2.464 2.784 . 0 0 "[ . 1 . 2]" 1
90 1 60 LEU H 1 60 LEU MD1 . . 4.800 4.569 4.500 4.669 . 0 0 "[ . 1 . 2]" 1
91 1 52 LEU H 1 53 ALA H . . 3.540 2.654 2.309 2.889 . 0 0 "[ . 1 . 2]" 1
92 1 53 ALA H 1 54 SER H . . 3.500 2.951 2.821 3.058 . 0 0 "[ . 1 . 2]" 1
93 1 51 ASP HA 1 53 ALA H . . 4.050 3.741 3.478 4.048 . 0 0 "[ . 1 . 2]" 1
94 1 53 ALA H 1 53 ALA MB . . 2.650 2.102 2.050 2.233 . 0 0 "[ . 1 . 2]" 1
95 1 53 ALA H 1 55 LYS QG . . 5.090 4.675 4.289 4.895 . 0 0 "[ . 1 . 2]" 1
96 1 53 ALA H 1 62 LEU MD1 . . 4.290 4.098 3.869 4.296 0.006 14 0 "[ . 1 . 2]" 1
97 1 52 LEU MD2 1 53 ALA H . . 4.720 4.621 4.424 4.700 . 0 0 "[ . 1 . 2]" 1
98 1 22 GLY H 1 23 GLU H . . 3.360 2.548 2.413 2.692 . 0 0 "[ . 1 . 2]" 1
99 1 23 GLU H 1 82 ALA H . . 3.990 3.837 3.675 3.995 0.005 4 0 "[ . 1 . 2]" 1
100 1 21 VAL H 1 23 GLU H . . 4.730 4.420 4.332 4.502 . 0 0 "[ . 1 . 2]" 1
101 1 22 GLY HA3 1 23 GLU H . . 3.540 3.148 3.095 3.244 . 0 0 "[ . 1 . 2]" 1
102 1 23 GLU H 1 23 GLU HB2 . . 3.060 2.181 2.144 2.249 . 0 0 "[ . 1 . 2]" 1
103 1 20 LYS HB3 1 23 GLU H . . 4.220 3.606 3.459 3.811 . 0 0 "[ . 1 . 2]" 1
104 1 20 LYS QG 1 23 GLU H . . 4.720 4.403 4.239 4.586 . 0 0 "[ . 1 . 2]" 1
105 1 21 VAL MG1 1 23 GLU H . . 4.430 4.400 4.296 4.454 0.024 15 0 "[ . 1 . 2]" 1
106 1 19 VAL MG2 1 23 GLU H . . 3.570 3.401 3.239 3.554 . 0 0 "[ . 1 . 2]" 1
107 1 110 HIS HA 1 111 GLU H . . 2.810 2.233 2.212 2.304 . 0 0 "[ . 1 . 2]" 1
108 1 110 HIS HB3 1 111 GLU H . . 3.590 2.915 2.690 2.993 . 0 0 "[ . 1 . 2]" 1
109 1 110 HIS HB2 1 111 GLU H . . 4.120 4.042 3.902 4.126 0.006 3 0 "[ . 1 . 2]" 1
110 1 111 GLU H 1 111 GLU HG2 . . 3.690 3.177 2.950 3.330 . 0 0 "[ . 1 . 2]" 1
111 1 111 GLU H 1 111 GLU HB2 . . 3.240 2.445 2.378 2.513 . 0 0 "[ . 1 . 2]" 1
112 1 21 VAL MG2 1 111 GLU H . . 4.490 3.771 3.689 3.989 . 0 0 "[ . 1 . 2]" 1
113 1 27 PHE QD 1 28 ILE H . . 4.350 4.093 3.895 4.305 . 0 0 "[ . 1 . 2]" 1
114 1 27 PHE QB 1 28 ILE H . . 3.970 2.761 2.545 3.064 . 0 0 "[ . 1 . 2]" 1
115 1 84 ASP H 1 84 ASP HB2 . . 3.610 3.320 2.290 3.563 . 0 0 "[ . 1 . 2]" 1
116 1 83 LYS HB2 1 84 ASP H . . 3.760 3.287 3.008 3.487 . 0 0 "[ . 1 . 2]" 1
117 1 84 ASP H 1 109 VAL MG2 . . 4.820 4.755 4.625 4.822 0.002 15 0 "[ . 1 . 2]" 1
118 1 119 ILE H 1 120 ASP H . . 4.520 4.403 4.073 4.567 0.047 9 0 "[ . 1 . 2]" 1
119 1 118 ASN HA 1 119 ILE H . . 2.610 2.446 2.259 2.581 . 0 0 "[ . 1 . 2]" 1
120 1 118 ASN HB2 1 119 ILE H . . 3.930 3.363 2.339 3.768 . 0 0 "[ . 1 . 2]" 1
121 1 118 ASN HB3 1 119 ILE H . . 3.930 2.868 2.130 3.930 . 0 0 "[ . 1 . 2]" 1
122 1 119 ILE H 1 119 ILE HB . . 3.010 2.622 2.427 2.858 . 0 0 "[ . 1 . 2]" 1
123 1 119 ILE H 1 119 ILE MG . . 4.210 3.825 3.754 3.917 . 0 0 "[ . 1 . 2]" 1
124 1 119 ILE H 1 119 ILE MD . . 4.390 3.494 1.845 4.099 . 0 0 "[ . 1 . 2]" 1
125 1 90 TYR QD 1 107 LEU H . . 3.920 3.036 2.734 3.465 . 0 0 "[ . 1 . 2]" 1
126 1 90 TYR QE 1 107 LEU H . . 4.240 3.800 3.527 4.183 . 0 0 "[ . 1 . 2]" 1
127 1 89 ASN HA 1 107 LEU H . . 3.950 3.535 3.241 3.806 . 0 0 "[ . 1 . 2]" 1
128 1 106 ASP QB 1 107 LEU H . . 3.450 3.106 2.779 3.317 . 0 0 "[ . 1 . 2]" 1
129 1 107 LEU H 1 107 LEU HB3 . . 3.660 2.685 2.431 2.895 . 0 0 "[ . 1 . 2]" 1
130 1 107 LEU H 1 107 LEU HG . . 4.970 4.808 4.292 4.977 0.007 5 0 "[ . 1 . 2]" 1
131 1 107 LEU H 1 107 LEU HB2 . . 3.850 2.879 2.599 3.095 . 0 0 "[ . 1 . 2]" 1
132 1 75 PHE HB3 1 76 GLU H . . 4.300 3.148 2.847 3.392 . 0 0 "[ . 1 . 2]" 1
133 1 63 LYS HB3 1 76 GLU H . . 4.070 2.684 2.514 2.853 . 0 0 "[ . 1 . 2]" 1
134 1 90 TYR H 1 105 PHE H . . 3.840 3.342 3.168 3.535 . 0 0 "[ . 1 . 2]" 1
135 1 89 ASN HD22 1 105 PHE H . . 4.170 3.814 3.379 4.139 . 0 0 "[ . 1 . 2]" 1
136 1 105 PHE H 1 105 PHE QD . . 4.350 2.563 2.226 2.996 . 0 0 "[ . 1 . 2]" 1
137 1 104 SER HA 1 105 PHE H . . 2.980 2.262 2.154 2.409 . 0 0 "[ . 1 . 2]" 1
138 1 91 ARG HA 1 105 PHE H . . 3.690 3.501 3.316 3.689 . 0 0 "[ . 1 . 2]" 1
139 1 89 ASN HA 1 105 PHE H . . 5.300 5.067 4.623 5.297 . 0 0 "[ . 1 . 2]" 1
140 1 55 LYS H 1 56 ALA H . . 3.230 2.500 2.325 2.601 . 0 0 "[ . 1 . 2]" 1
141 1 55 LYS H 1 55 LYS HB3 . . 3.730 3.602 3.592 3.635 . 0 0 "[ . 1 . 2]" 1
142 1 55 LYS H 1 55 LYS HD2 . . 4.900 4.519 3.932 4.688 . 0 0 "[ . 1 . 2]" 1
143 1 55 LYS H 1 56 ALA MB . . 4.290 4.063 3.892 4.155 . 0 0 "[ . 1 . 2]" 1
144 1 55 LYS H 1 55 LYS QG . . 3.560 2.128 1.985 2.368 . 0 0 "[ . 1 . 2]" 1
145 1 55 LYS H 1 55 LYS HB2 . . 3.730 2.537 2.434 2.594 . 0 0 "[ . 1 . 2]" 1
146 1 21 VAL H 1 110 HIS H . . 3.900 3.760 3.672 3.830 . 0 0 "[ . 1 . 2]" 1
147 1 20 LYS HA 1 21 VAL H . . 2.900 2.308 2.273 2.334 . 0 0 "[ . 1 . 2]" 1
148 1 21 VAL H 1 21 VAL HB . . 2.980 2.458 2.415 2.529 . 0 0 "[ . 1 . 2]" 1
149 1 20 LYS QD 1 21 VAL H . . 3.570 2.752 2.631 2.833 . 0 0 "[ . 1 . 2]" 1
150 1 20 LYS QG 1 21 VAL H . . 3.380 2.066 1.957 2.188 . 0 0 "[ . 1 . 2]" 1
151 1 21 VAL H 1 82 ALA MB . . 5.410 5.154 5.054 5.218 . 0 0 "[ . 1 . 2]" 1
152 1 49 TRP H 1 50 MET H . . 3.730 2.123 1.808 2.622 . 0 0 "[ . 1 . 2]" 1
153 1 50 MET H 1 50 MET HB3 . . 3.670 2.950 2.708 3.035 . 0 0 "[ . 1 . 2]" 1
154 1 50 MET H 1 50 MET HG2 . . 4.630 4.436 4.000 4.608 . 0 0 "[ . 1 . 2]" 1
155 1 50 MET H 1 50 MET HB2 . . 3.590 2.254 2.159 2.494 . 0 0 "[ . 1 . 2]" 1
156 1 15 GLN H 1 15 GLN HB2 . . 3.780 2.388 2.191 2.485 . 0 0 "[ . 1 . 2]" 1
157 1 14 PRO HB2 1 15 GLN H . . 4.350 3.990 3.701 4.228 . 0 0 "[ . 1 . 2]" 1
158 1 14 PRO HB3 1 15 GLN H . . 4.610 4.335 4.117 4.527 . 0 0 "[ . 1 . 2]" 1
159 1 98 ASP HB3 1 99 LYS H . . 4.800 3.323 1.899 4.537 . 0 0 "[ . 1 . 2]" 1
160 1 98 ASP H 1 99 LYS H . . 3.300 2.760 2.055 3.347 0.047 14 0 "[ . 1 . 2]" 1
161 1 99 LYS H 1 99 LYS HB2 . . 4.070 2.827 2.673 3.707 . 0 0 "[ . 1 . 2]" 1
162 1 99 LYS H 1 99 LYS HB3 . . 4.070 3.833 3.563 3.897 . 0 0 "[ . 1 . 2]" 1
163 1 99 LYS H 1 99 LYS QD . . 4.350 4.067 2.239 4.346 . 0 0 "[ . 1 . 2]" 1
164 1 99 LYS H 1 99 LYS HG2 . . 4.390 3.609 2.048 4.389 . 0 0 "[ . 1 . 2]" 1
165 1 99 LYS H 1 99 LYS HG3 . . 4.390 3.542 2.450 4.390 . 5 0 "[ . 1 . 2]" 1
166 1 22 GLY HA2 1 82 ALA H . . 4.250 3.919 3.817 4.049 . 0 0 "[ . 1 . 2]" 1
167 1 25 ILE H 1 79 ILE H . . 3.580 3.099 2.773 3.342 . 0 0 "[ . 1 . 2]" 1
168 1 25 ILE H 1 80 ILE HA . . 4.340 4.286 4.118 4.354 0.014 4 0 "[ . 1 . 2]" 1
169 1 25 ILE H 1 79 ILE HB . . 3.730 2.816 2.733 2.920 . 0 0 "[ . 1 . 2]" 1
170 1 25 ILE H 1 25 ILE HB . . 4.000 3.180 3.039 3.305 . 0 0 "[ . 1 . 2]" 1
171 1 19 VAL MG2 1 25 ILE H . . 4.010 3.264 3.038 3.460 . 0 0 "[ . 1 . 2]" 1
172 1 25 ILE H 1 79 ILE MG . . 3.980 3.858 3.725 4.002 0.022 8 0 "[ . 1 . 2]" 1
173 1 45 PHE HB2 1 46 LYS H . . 4.230 3.811 3.487 4.086 . 0 0 "[ . 1 . 2]" 1
174 1 46 LYS H 1 50 MET HB3 . . 4.220 3.233 2.408 3.566 . 0 0 "[ . 1 . 2]" 1
175 1 45 PHE HB3 1 46 LYS H . . 4.230 2.506 2.115 2.881 . 0 0 "[ . 1 . 2]" 1
176 1 46 LYS H 1 46 LYS HB2 . . 4.070 3.223 2.935 3.696 . 0 0 "[ . 1 . 2]" 1
177 1 46 LYS H 1 52 LEU MD2 . . 4.340 3.783 3.116 4.276 . 0 0 "[ . 1 . 2]" 1
178 1 46 LYS H 1 46 LYS HB3 . . 4.070 2.891 2.591 3.145 . 0 0 "[ . 1 . 2]" 1
179 1 22 GLY H 1 82 ALA H . . 3.870 3.360 3.219 3.487 . 0 0 "[ . 1 . 2]" 1
180 1 82 ALA H 1 83 LYS H . . 4.570 4.427 4.308 4.536 . 0 0 "[ . 1 . 2]" 1
181 1 24 ASP HA 1 82 ALA H . . 4.220 3.815 3.656 3.980 . 0 0 "[ . 1 . 2]" 1
182 1 23 GLU HA 1 82 ALA H . . 4.990 5.016 4.982 5.038 0.048 4 0 "[ . 1 . 2]" 1
183 1 80 ILE HA 1 82 ALA H . . 4.110 3.868 3.777 4.039 . 0 0 "[ . 1 . 2]" 1
184 1 23 GLU HB2 1 82 ALA H . . 5.040 4.951 4.876 5.058 0.018 9 0 "[ . 1 . 2]" 1
185 1 81 LYS HB2 1 82 ALA H . . 4.520 4.303 4.275 4.335 . 0 0 "[ . 1 . 2]" 1
186 1 81 LYS HB3 1 82 ALA H . . 4.670 4.443 4.425 4.462 . 0 0 "[ . 1 . 2]" 1
187 1 19 VAL MG2 1 82 ALA H . . 4.000 3.763 3.463 3.949 . 0 0 "[ . 1 . 2]" 1
188 1 79 ILE MG 1 82 ALA H . . 3.680 3.244 3.055 3.423 . 0 0 "[ . 1 . 2]" 1
189 1 25 ILE H 1 82 ALA H . . 5.170 4.927 4.727 5.084 . 0 0 "[ . 1 . 2]" 1
190 1 35 ASP HA 1 37 LEU H . . 4.380 4.188 3.806 4.396 0.016 5 0 "[ . 1 . 2]" 1
191 1 37 LEU H 1 37 LEU HB2 . . 3.630 2.496 2.308 2.690 . 0 0 "[ . 1 . 2]" 1
192 1 36 LEU MD1 1 37 LEU H . . 5.150 4.509 4.261 5.196 0.046 14 0 "[ . 1 . 2]" 1
193 1 115 THR HA 1 116 THR H . . 3.110 2.272 2.142 2.452 . 0 0 "[ . 1 . 2]" 1
194 1 116 THR H 1 116 THR HB . . 3.900 3.679 3.583 3.884 . 0 0 "[ . 1 . 2]" 1
195 1 65 THR H 1 74 THR H . . 3.680 3.236 2.990 3.487 . 0 0 "[ . 1 . 2]" 1
196 1 73 TYR QD 1 74 THR H . . 4.490 3.954 3.604 4.498 0.008 11 0 "[ . 1 . 2]" 1
197 1 73 TYR HB2 1 74 THR H . . 4.210 4.059 3.856 4.307 0.097 17 0 "[ . 1 . 2]" 1
198 1 73 TYR HB3 1 74 THR H . . 4.070 2.942 2.633 3.434 . 0 0 "[ . 1 . 2]" 1
199 1 74 THR H 1 74 THR MG . . 4.010 3.891 3.823 3.957 . 0 0 "[ . 1 . 2]" 1
200 1 34 GLU H 1 96 TYR QE . . 4.050 2.875 2.104 3.424 . 0 0 "[ . 1 . 2]" 1
201 1 105 PHE HB3 1 106 ASP H . . 4.310 3.419 3.210 3.840 . 0 0 "[ . 1 . 2]" 1
202 1 45 PHE H 1 91 ARG H . . 4.040 2.959 2.625 3.267 . 0 0 "[ . 1 . 2]" 1
203 1 45 PHE H 1 45 PHE QD . . 3.930 3.304 3.025 3.592 . 0 0 "[ . 1 . 2]" 1
204 1 44 TRP HB3 1 45 PHE H . . 4.190 3.173 2.853 3.464 . 0 0 "[ . 1 . 2]" 1
205 1 45 PHE H 1 52 LEU HB2 . . 5.500 4.623 4.104 5.223 . 0 0 "[ . 1 . 2]" 1
206 1 89 ASN H 1 90 TYR H . . 4.940 4.388 4.246 4.538 . 0 0 "[ . 1 . 2]" 1
207 1 88 GLY HA2 1 89 ASN H . . 3.360 3.054 2.818 3.253 . 0 0 "[ . 1 . 2]" 1
208 1 88 GLY HA3 1 89 ASN H . . 3.360 2.199 2.137 2.336 . 0 0 "[ . 1 . 2]" 1
209 1 89 ASN H 1 89 ASN HB2 . . 3.370 2.999 2.655 3.257 . 0 0 "[ . 1 . 2]" 1
210 1 89 ASN H 1 89 ASN HB3 . . 3.290 2.534 2.467 2.684 . 0 0 "[ . 1 . 2]" 1
211 1 37 LEU H 1 38 ARG H . . 3.160 2.771 2.261 2.975 . 0 0 "[ . 1 . 2]" 1
212 1 65 THR H 1 74 THR MG . . 4.580 4.540 4.356 4.606 0.026 19 0 "[ . 1 . 2]" 1
213 1 68 ARG HB2 1 69 HIS H . . 4.400 3.578 3.318 3.698 . 0 0 "[ . 1 . 2]" 1
214 1 65 THR H 1 76 GLU H . . 5.330 4.841 4.543 5.086 . 0 0 "[ . 1 . 2]" 1
215 1 64 GLU HA 1 65 THR H . . 2.880 2.162 2.146 2.186 . 0 0 "[ . 1 . 2]" 1
216 1 65 THR H 1 74 THR HB . . 4.000 3.878 3.763 4.012 0.012 14 0 "[ . 1 . 2]" 1
217 1 23 GLU H 1 24 ASP H . . 4.650 4.513 4.482 4.541 . 0 0 "[ . 1 . 2]" 1
218 1 83 LYS H 1 109 VAL MG2 . . 4.750 4.660 4.342 4.765 0.015 17 0 "[ . 1 . 2]" 1
219 1 70 SER H 1 71 ARG H . . 3.700 2.016 1.855 2.223 . 0 0 "[ . 1 . 2]" 1
220 1 66 PHE HZ 1 71 ARG H . . 4.840 4.480 4.136 4.821 . 0 0 "[ . 1 . 2]" 1
221 1 66 PHE QE 1 71 ARG H . . 5.000 4.454 4.006 4.768 . 0 0 "[ . 1 . 2]" 1
222 1 67 GLU HB3 1 71 ARG H . . 4.260 4.138 3.931 4.275 0.015 12 0 "[ . 1 . 2]" 1
223 1 71 ARG H 1 72 VAL HB . . 5.060 4.888 4.808 4.960 . 0 0 "[ . 1 . 2]" 1
224 1 71 ARG H 1 71 ARG QG . . 3.410 2.885 2.659 3.042 . 0 0 "[ . 1 . 2]" 1
225 1 72 VAL H 1 73 TYR H . . 4.550 4.341 4.228 4.420 . 0 0 "[ . 1 . 2]" 1
226 1 71 ARG H 1 72 VAL H . . 3.020 2.730 2.632 2.884 . 0 0 "[ . 1 . 2]" 1
227 1 66 PHE QE 1 72 VAL H . . 4.200 3.646 2.945 4.160 . 0 0 "[ . 1 . 2]" 1
228 1 71 ARG HA 1 72 VAL H . . 3.250 2.753 2.640 2.883 . 0 0 "[ . 1 . 2]" 1
229 1 67 GLU HB3 1 72 VAL H . . 4.050 3.790 3.481 4.047 . 0 0 "[ . 1 . 2]" 1
230 1 72 VAL H 1 72 VAL HB . . 2.980 2.703 2.546 2.830 . 0 0 "[ . 1 . 2]" 1
231 1 67 GLU HB2 1 72 VAL H . . 3.530 3.201 2.807 3.519 . 0 0 "[ . 1 . 2]" 1
232 1 72 VAL H 1 72 VAL MG1 . . 3.900 3.854 3.791 3.902 0.002 5 0 "[ . 1 . 2]" 1
233 1 72 VAL H 1 72 VAL MG2 . . 3.900 2.938 2.780 3.118 . 0 0 "[ . 1 . 2]" 1
234 1 121 SER H 1 121 SER HB3 . . 4.040 3.242 2.334 3.889 . 0 0 "[ . 1 . 2]" 1
235 1 120 ASP HA 1 121 SER H . . 3.190 2.320 2.140 2.788 . 0 0 "[ . 1 . 2]" 1
236 1 121 SER H 1 121 SER HB2 . . 4.040 2.860 2.334 3.906 . 0 0 "[ . 1 . 2]" 1
237 1 125 SER HA 1 126 GLY H . . 3.380 2.314 2.143 2.916 . 0 0 "[ . 1 . 2]" 1
238 1 125 SER QB 1 126 GLY H . . 3.970 3.257 2.695 4.023 0.053 12 0 "[ . 1 . 2]" 1
239 1 18 THR H 1 19 VAL H . . 4.220 4.100 3.996 4.190 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLY HA2 1 18 THR H . . 3.040 2.894 2.777 3.039 . 0 0 "[ . 1 . 2]" 1
241 1 111 GLU HB3 1 112 SER H . . 4.010 3.327 3.229 3.447 . 0 0 "[ . 1 . 2]" 1
242 1 111 GLU HB2 1 112 SER H . . 4.390 4.256 4.173 4.344 . 0 0 "[ . 1 . 2]" 1
243 1 21 VAL HB 1 112 SER H . . 4.170 1.946 1.892 2.088 . 0 0 "[ . 1 . 2]" 1
244 1 21 VAL MG2 1 112 SER H . . 4.230 2.931 2.789 3.042 . 0 0 "[ . 1 . 2]" 1
245 1 86 PHE H 1 87 ALA H . . 3.060 2.490 2.340 2.648 . 0 0 "[ . 1 . 2]" 1
246 1 86 PHE H 1 86 PHE QE . . 4.500 4.285 4.233 4.441 . 0 0 "[ . 1 . 2]" 1
247 1 86 PHE H 1 86 PHE QD . . 3.540 1.928 1.884 2.124 . 0 0 "[ . 1 . 2]" 1
248 1 86 PHE H 1 86 PHE HB3 . . 3.670 3.581 3.555 3.601 . 0 0 "[ . 1 . 2]" 1
249 1 86 PHE H 1 86 PHE HB2 . . 3.300 2.349 2.290 2.385 . 0 0 "[ . 1 . 2]" 1
250 1 85 ASN HB3 1 86 PHE H . . 4.690 3.744 3.117 4.320 . 0 0 "[ . 1 . 2]" 1
251 1 86 PHE H 1 87 ALA MB . . 4.220 3.991 3.856 4.122 . 0 0 "[ . 1 . 2]" 1
252 1 86 PHE H 1 109 VAL MG2 . . 3.610 3.153 2.890 3.394 . 0 0 "[ . 1 . 2]" 1
253 1 34 GLU H 1 35 ASP H . . 3.650 2.114 1.947 2.787 . 0 0 "[ . 1 . 2]" 1
254 1 35 ASP H 1 96 TYR QE . . 4.490 3.734 3.304 4.401 . 0 0 "[ . 1 . 2]" 1
255 1 35 ASP H 1 35 ASP HB3 . . 3.890 3.210 2.451 3.890 . 16 0 "[ . 1 . 2]" 1
256 1 34 GLU HB3 1 35 ASP H . . 4.480 3.720 3.509 4.479 . 0 0 "[ . 1 . 2]" 1
257 1 34 GLU HB2 1 35 ASP H . . 4.270 2.681 2.357 4.245 . 0 0 "[ . 1 . 2]" 1
258 1 46 LYS QD 1 47 GLY H . . 4.140 2.425 1.876 4.007 . 0 0 "[ . 1 . 2]" 1
259 1 46 LYS HG2 1 47 GLY H . . 4.120 3.184 1.879 4.071 . 0 0 "[ . 1 . 2]" 1
260 1 46 LYS HG3 1 47 GLY H . . 4.120 3.058 1.888 4.100 . 0 0 "[ . 1 . 2]" 1
261 1 84 ASP H 1 85 ASN H . . 4.220 2.690 2.648 2.746 . 0 0 "[ . 1 . 2]" 1
262 1 85 ASN H 1 86 PHE H . . 4.020 2.415 2.266 2.546 . 0 0 "[ . 1 . 2]" 1
263 1 84 ASP HB3 1 85 ASN H . . 4.500 3.900 3.281 4.182 . 0 0 "[ . 1 . 2]" 1
264 1 83 LYS HB2 1 85 ASN H . . 4.500 2.432 2.224 2.616 . 0 0 "[ . 1 . 2]" 1
265 1 21 VAL MG2 1 22 GLY H . . 4.010 3.985 3.906 4.068 0.058 7 0 "[ . 1 . 2]" 1
266 1 22 GLY H 1 109 VAL MG1 . . 4.290 4.297 4.272 4.314 0.024 4 0 "[ . 1 . 2]" 1
267 1 15 GLN HE22 1 15 GLN QG . . 3.510 3.235 3.217 3.282 . 0 0 "[ . 1 . 2]" 1
268 1 57 GLY H 1 61 GLN HE21 . . 4.000 2.754 2.423 3.080 . 0 0 "[ . 1 . 2]" 1
269 1 61 GLN HE21 1 61 GLN HG2 . . 3.330 2.195 2.117 2.372 . 0 0 "[ . 1 . 2]" 1
270 1 56 ALA MB 1 61 GLN HE21 . . 4.340 3.731 3.345 4.104 . 0 0 "[ . 1 . 2]" 1
271 1 61 GLN HE22 1 61 GLN HG2 . . 3.560 3.467 3.437 3.538 . 0 0 "[ . 1 . 2]" 1
272 1 57 GLY H 1 61 GLN HE22 . . 4.180 3.872 3.545 4.151 . 0 0 "[ . 1 . 2]" 1
273 1 48 LYS HB2 1 49 TRP H . . 4.380 3.402 2.569 3.794 . 0 0 "[ . 1 . 2]" 1
274 1 58 LYS H 1 59 HIS H . . 4.060 2.240 1.956 2.665 . 0 0 "[ . 1 . 2]" 1
275 1 59 HIS H 1 59 HIS HB2 . . 4.010 2.368 2.196 2.468 . 0 0 "[ . 1 . 2]" 1
276 1 59 HIS H 1 59 HIS HB3 . . 4.010 3.579 3.498 3.676 . 0 0 "[ . 1 . 2]" 1
277 1 58 LYS HB3 1 59 HIS H . . 4.410 2.633 1.903 3.835 . 0 0 "[ . 1 . 2]" 1
278 1 89 ASN HA 1 89 ASN HD22 . . 4.090 3.618 3.482 3.758 . 0 0 "[ . 1 . 2]" 1
279 1 89 ASN HB2 1 89 ASN HD22 . . 3.850 3.631 3.558 3.681 . 0 0 "[ . 1 . 2]" 1
280 1 121 SER HA 1 122 GLY H . . 3.430 2.363 2.142 3.428 . 0 0 "[ . 1 . 2]" 1
281 1 57 GLY H 1 60 LEU HB3 . . 3.840 3.089 2.855 3.479 . 0 0 "[ . 1 . 2]" 1
282 1 54 SER H 1 55 LYS QG . . 4.400 3.728 3.494 3.886 . 0 0 "[ . 1 . 2]" 1
283 1 54 SER H 1 54 SER HB3 . . 3.810 2.707 2.238 3.575 . 0 0 "[ . 1 . 2]" 1
284 1 63 LYS QE 1 78 GLN HE21 . . 5.330 4.362 2.191 5.103 . 0 0 "[ . 1 . 2]" 1
285 1 78 GLN HB2 1 78 GLN HE21 . . 4.390 2.029 1.910 2.190 . 0 0 "[ . 1 . 2]" 1
286 1 78 GLN HE22 1 78 GLN QG . . 3.430 3.418 3.393 3.439 0.009 5 0 "[ . 1 . 2]" 1
287 1 67 GLU H 1 68 ARG H . . 4.370 3.844 3.734 4.057 . 0 0 "[ . 1 . 2]" 1
288 1 67 GLU H 1 72 VAL H . . 4.130 3.349 2.971 3.698 . 0 0 "[ . 1 . 2]" 1
289 1 66 PHE QE 1 67 GLU H . . 4.370 3.720 3.429 3.946 . 0 0 "[ . 1 . 2]" 1
290 1 66 PHE QD 1 67 GLU H . . 3.500 2.642 2.322 3.006 . 0 0 "[ . 1 . 2]" 1
291 1 66 PHE HA 1 67 GLU H . . 3.140 2.244 2.204 2.300 . 0 0 "[ . 1 . 2]" 1
292 1 66 PHE QB 1 67 GLU H . . 3.900 3.533 3.440 3.600 . 0 0 "[ . 1 . 2]" 1
293 1 67 GLU H 1 67 GLU HB2 . . 3.500 2.542 2.466 2.617 . 0 0 "[ . 1 . 2]" 1
294 1 88 GLY H 1 89 ASN H . . 4.330 4.215 3.962 4.352 0.022 3 0 "[ . 1 . 2]" 1
295 1 88 GLY H 1 107 LEU HB3 . . 3.930 2.866 2.370 3.644 . 0 0 "[ . 1 . 2]" 1
296 1 46 LYS QD 1 88 GLY H . . 5.500 5.033 4.262 5.505 0.005 6 0 "[ . 1 . 2]" 1
297 1 31 VAL H 1 73 TYR H . . 4.400 3.149 2.924 3.610 . 0 0 "[ . 1 . 2]" 1
298 1 73 TYR H 1 73 TYR QD . . 4.010 2.332 2.055 2.698 . 0 0 "[ . 1 . 2]" 1
299 1 73 TYR H 1 73 TYR HB2 . . 3.930 2.384 2.327 2.478 . 0 0 "[ . 1 . 2]" 1
300 1 72 VAL MG1 1 73 TYR H . . 3.960 2.363 1.997 2.617 . 0 0 "[ . 1 . 2]" 1
301 1 80 ILE H 1 80 ILE HB . . 3.490 2.758 2.721 2.808 . 0 0 "[ . 1 . 2]" 1
302 1 79 ILE MG 1 80 ILE H . . 3.390 3.011 2.872 3.210 . 0 0 "[ . 1 . 2]" 1
303 1 16 GLY H 1 105 PHE HB2 . . 4.610 2.611 1.892 3.404 . 0 0 "[ . 1 . 2]" 1
304 1 29 ALA H 1 75 PHE H . . 4.160 3.574 3.297 3.692 . 0 0 "[ . 1 . 2]" 1
305 1 75 PHE H 1 75 PHE QD . . 3.780 2.903 2.062 3.406 . 0 0 "[ . 1 . 2]" 1
306 1 75 PHE H 1 75 PHE HB3 . . 3.970 3.732 3.698 3.805 . 0 0 "[ . 1 . 2]" 1
307 1 29 ALA MB 1 75 PHE H . . 4.210 3.447 2.926 3.873 . 0 0 "[ . 1 . 2]" 1
308 1 48 LYS QD 1 49 TRP HE1 . . 4.080 2.499 1.888 3.938 . 0 0 "[ . 1 . 2]" 1
309 1 107 LEU HB3 1 108 GLU H . . 4.740 4.021 3.650 4.220 . 0 0 "[ . 1 . 2]" 1
310 1 108 GLU H 1 108 GLU HG2 . . 4.900 4.194 3.400 4.542 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLY H 1 108 GLU H . . 4.120 3.878 3.515 4.129 0.009 15 0 "[ . 1 . 2]" 1
312 1 108 GLU H 1 108 GLU HG3 . . 4.900 3.657 3.115 4.575 . 0 0 "[ . 1 . 2]" 1
313 1 107 LEU HG 1 108 GLU H . . 4.730 4.283 2.208 4.671 . 0 0 "[ . 1 . 2]" 1
314 1 18 THR MG 1 108 GLU H . . 4.490 3.453 3.252 3.709 . 0 0 "[ . 1 . 2]" 1
315 1 107 LEU HB2 1 108 GLU H . . 4.390 4.239 3.728 4.355 . 0 0 "[ . 1 . 2]" 1
316 1 17 GLY H 1 27 PHE QE . . 3.580 2.679 2.164 3.032 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLY H 1 107 LEU HA . . 3.300 2.693 2.376 3.122 . 0 0 "[ . 1 . 2]" 1
318 1 16 GLY HA2 1 17 GLY H . . 2.950 2.570 2.314 2.900 . 0 0 "[ . 1 . 2]" 1
319 1 17 GLY H 1 25 ILE MD . . 4.070 3.844 3.364 4.087 0.017 7 0 "[ . 1 . 2]" 1
320 1 78 GLN H 1 78 GLN QG . . 3.940 3.877 3.847 3.926 . 0 0 "[ . 1 . 2]" 1
321 1 78 GLN H 1 78 GLN HB3 . . 3.590 2.954 2.943 2.965 . 0 0 "[ . 1 . 2]" 1
322 1 77 MET H 1 78 GLN H . . 4.200 3.890 3.843 3.941 . 0 0 "[ . 1 . 2]" 1
323 1 62 LEU HA 1 78 GLN H . . 3.910 2.607 2.339 2.841 . 0 0 "[ . 1 . 2]" 1
324 1 78 GLN H 1 78 GLN HB2 . . 3.510 2.291 2.253 2.359 . 0 0 "[ . 1 . 2]" 1
325 1 63 LYS HB2 1 78 GLN H . . 4.830 3.934 3.788 4.213 . 0 0 "[ . 1 . 2]" 1
326 1 77 MET HG3 1 78 GLN H . . 5.180 3.926 3.425 5.045 . 0 0 "[ . 1 . 2]" 1
327 1 77 MET HG2 1 78 GLN H . . 4.170 3.916 3.286 4.180 0.010 4 0 "[ . 1 . 2]" 1
328 1 26 THR MG 1 78 GLN H . . 4.470 3.492 3.277 3.691 . 0 0 "[ . 1 . 2]" 1
329 1 27 PHE H 1 27 PHE QD . . 3.630 2.382 2.112 2.753 . 0 0 "[ . 1 . 2]" 1
330 1 27 PHE H 1 27 PHE QB . . 3.670 2.552 2.496 2.597 . 0 0 "[ . 1 . 2]" 1
331 1 27 PHE H 1 77 MET ME . . 4.640 4.258 3.827 4.645 0.005 14 0 "[ . 1 . 2]" 1
332 1 20 LYS QD 1 110 HIS H . . 4.360 3.163 3.058 3.267 . 0 0 "[ . 1 . 2]" 1
333 1 20 LYS HB2 1 110 HIS H . . 5.300 4.797 4.731 4.909 . 0 0 "[ . 1 . 2]" 1
334 1 19 VAL H 1 110 HIS H . . 4.400 4.315 4.045 4.417 0.017 4 0 "[ . 1 . 2]" 1
335 1 20 LYS HA 1 110 HIS H . . 3.620 2.511 2.434 2.570 . 0 0 "[ . 1 . 2]" 1
336 1 110 HIS H 1 110 HIS HB3 . . 3.790 3.656 3.631 3.669 . 0 0 "[ . 1 . 2]" 1
337 1 110 HIS H 1 110 HIS HB2 . . 3.620 2.439 2.394 2.466 . 0 0 "[ . 1 . 2]" 1
338 1 21 VAL MG2 1 110 HIS H . . 4.130 3.789 3.620 3.902 . 0 0 "[ . 1 . 2]" 1
339 1 96 TYR QD 1 97 LYS H . . 4.190 2.496 1.996 3.340 . 0 0 "[ . 1 . 2]" 1
340 1 25 ILE MG 1 79 ILE H . . 3.570 3.237 3.007 3.385 . 0 0 "[ . 1 . 2]" 1
341 1 26 THR MG 1 79 ILE H . . 4.610 4.348 4.119 4.542 . 0 0 "[ . 1 . 2]" 1
342 1 78 GLN HB2 1 79 ILE H . . 4.690 4.497 4.314 4.588 . 0 0 "[ . 1 . 2]" 1
343 1 78 GLN HB3 1 79 ILE H . . 4.050 3.937 3.610 4.100 0.050 12 0 "[ . 1 . 2]" 1
344 1 15 GLN HB3 1 16 GLY H . . 4.760 4.023 3.541 4.461 . 0 0 "[ . 1 . 2]" 1
345 1 21 VAL H 1 22 GLY H . . 4.590 4.486 4.449 4.525 . 0 0 "[ . 1 . 2]" 1
346 1 24 ASP H 1 82 ALA H . . 5.500 5.365 5.292 5.476 . 0 0 "[ . 1 . 2]" 1
347 1 27 PHE H 1 28 ILE H . . 4.720 4.519 4.451 4.562 . 0 0 "[ . 1 . 2]" 1
348 1 27 PHE H 1 27 PHE QE . . 4.620 4.401 4.168 4.623 0.003 15 0 "[ . 1 . 2]" 1
349 1 38 ARG H 1 96 TYR QE . . 5.290 4.858 4.105 5.248 . 0 0 "[ . 1 . 2]" 1
350 1 48 LYS HB3 1 49 TRP H . . 4.380 2.434 2.170 3.069 . 0 0 "[ . 1 . 2]" 1
351 1 50 MET H 1 50 MET HG3 . . 4.630 4.206 4.017 4.641 0.011 15 0 "[ . 1 . 2]" 1
352 1 49 TRP HB3 1 50 MET H . . 4.730 4.160 3.876 4.571 . 0 0 "[ . 1 . 2]" 1
353 1 50 MET HB2 1 51 ASP H . . 4.670 4.441 4.339 4.526 . 0 0 "[ . 1 . 2]" 1
354 1 52 LEU MD1 1 53 ALA H . . 4.720 4.500 4.336 4.686 . 0 0 "[ . 1 . 2]" 1
355 1 56 ALA H 1 57 GLY H . . 4.510 4.431 4.379 4.515 0.005 9 0 "[ . 1 . 2]" 1
356 1 58 LYS HB2 1 59 HIS H . . 4.410 3.301 2.255 4.034 . 0 0 "[ . 1 . 2]" 1
357 1 59 HIS HB2 1 60 LEU H . . 4.250 3.126 2.808 3.725 . 0 0 "[ . 1 . 2]" 1
358 1 59 HIS HB3 1 60 LEU H . . 4.250 3.901 3.647 4.271 0.021 10 0 "[ . 1 . 2]" 1
359 1 60 LEU H 1 61 GLN HG2 . . 4.180 3.763 3.542 3.887 . 0 0 "[ . 1 . 2]" 1
360 1 61 GLN H 1 80 ILE H . . 4.670 3.757 3.648 3.870 . 0 0 "[ . 1 . 2]" 1
361 1 73 TYR H 1 74 THR H . . 4.610 4.544 4.442 4.586 . 0 0 "[ . 1 . 2]" 1
362 1 75 PHE H 1 75 PHE HB2 . . 4.200 2.722 2.618 2.812 . 0 0 "[ . 1 . 2]" 1
363 1 75 PHE HB2 1 76 GLU H . . 4.830 3.928 3.664 4.158 . 0 0 "[ . 1 . 2]" 1
364 1 44 TRP HZ2 1 76 GLU H . . 4.770 3.986 3.499 4.247 . 0 0 "[ . 1 . 2]" 1
365 1 75 PHE QD 1 76 GLU H . . 4.500 4.280 4.101 4.506 0.006 9 0 "[ . 1 . 2]" 1
366 1 64 GLU H 1 76 GLU H . . 5.060 4.457 4.354 4.594 . 0 0 "[ . 1 . 2]" 1
367 1 76 GLU H 1 77 MET H . . 5.360 4.467 4.423 4.508 . 0 0 "[ . 1 . 2]" 1
368 1 77 MET HB2 1 78 GLN H . . 4.700 4.471 4.413 4.512 . 0 0 "[ . 1 . 2]" 1
369 1 80 ILE H 1 81 LYS H . . 4.570 4.531 4.458 4.582 0.012 10 0 "[ . 1 . 2]" 1
370 1 82 ALA H 1 109 VAL MG1 . . 5.500 5.492 5.403 5.525 0.025 20 0 "[ . 1 . 2]" 1
371 1 83 LYS HG2 1 84 ASP H . . 4.560 4.447 4.247 4.529 . 0 0 "[ . 1 . 2]" 1
372 1 83 LYS H 1 86 PHE H . . 4.440 3.694 3.495 4.010 . 0 0 "[ . 1 . 2]" 1
373 1 84 ASP H 1 86 PHE H . . 4.560 4.211 4.141 4.283 . 0 0 "[ . 1 . 2]" 1
374 1 47 GLY H 1 89 ASN H . . 5.070 3.308 2.862 3.703 . 0 0 "[ . 1 . 2]" 1
375 1 91 ARG H 1 105 PHE HZ . . 5.500 4.549 3.774 5.342 . 0 0 "[ . 1 . 2]" 1
376 1 90 TYR HB2 1 105 PHE H . . 4.540 3.230 2.951 3.832 . 0 0 "[ . 1 . 2]" 1
377 1 90 TYR HB3 1 105 PHE H . . 4.580 3.929 3.633 4.491 . 0 0 "[ . 1 . 2]" 1
378 1 90 TYR QD 1 105 PHE H . . 5.500 5.085 4.894 5.494 . 0 0 "[ . 1 . 2]" 1
379 1 105 PHE H 1 105 PHE HZ . . 5.500 5.233 5.005 5.492 . 0 0 "[ . 1 . 2]" 1
380 1 89 ASN HD21 1 105 PHE H . . 4.620 4.279 3.663 4.600 . 0 0 "[ . 1 . 2]" 1
381 1 110 HIS HD2 1 111 GLU H . . 5.110 4.918 4.858 4.975 . 0 0 "[ . 1 . 2]" 1
382 1 111 GLU HG2 1 112 SER H . . 4.510 4.292 4.220 4.421 . 0 0 "[ . 1 . 2]" 1
383 1 115 THR H 1 115 THR MG . . 4.470 2.699 1.911 3.912 . 0 0 "[ . 1 . 2]" 1
384 1 115 THR MG 1 116 THR H . . 4.430 3.468 2.071 4.093 . 0 0 "[ . 1 . 2]" 1
385 1 13 LYS HB2 1 15 GLN HE22 . . 5.080 3.045 2.192 4.223 . 0 0 "[ . 1 . 2]" 1
386 1 13 LYS QD 1 15 GLN HE22 . . 5.500 4.182 3.174 5.500 0.000 11 0 "[ . 1 . 2]" 1
387 1 13 LYS HB3 1 15 GLN HE22 . . 5.080 3.820 2.665 5.087 0.007 10 0 "[ . 1 . 2]" 1
388 1 13 LYS HB3 1 15 GLN HE21 . . 5.080 3.658 3.006 4.730 . 0 0 "[ . 1 . 2]" 1
389 1 13 LYS HB2 1 15 GLN HE21 . . 5.080 2.657 2.185 3.224 . 0 0 "[ . 1 . 2]" 1
390 1 13 LYS QD 1 15 GLN HE21 . . 5.500 4.326 3.607 5.198 . 0 0 "[ . 1 . 2]" 1
391 1 23 GLU H 1 81 LYS HA . . 4.320 4.038 3.908 4.183 . 0 0 "[ . 1 . 2]" 1
392 1 68 ARG HA 1 72 VAL H . . 4.460 4.223 3.920 4.425 . 0 0 "[ . 1 . 2]" 1
393 1 66 PHE QD 1 72 VAL H . . 4.880 4.329 3.750 4.868 . 0 0 "[ . 1 . 2]" 1
394 1 33 ALA H 1 73 TYR H . . 4.410 4.090 3.912 4.293 . 0 0 "[ . 1 . 2]" 1
395 1 96 TYR QB 1 97 LYS H . . 4.600 3.061 1.886 3.664 . 0 0 "[ . 1 . 2]" 1
396 1 27 PHE H 1 78 GLN QG . . 5.500 5.421 5.201 5.532 0.032 17 0 "[ . 1 . 2]" 1
397 1 16 GLY HA3 1 17 GLY H . . 2.970 2.586 2.284 2.859 . 0 0 "[ . 1 . 2]" 1
398 1 17 GLY H 1 107 LEU HB3 . . 5.420 5.202 5.020 5.401 . 0 0 "[ . 1 . 2]" 1
399 1 48 LYS HG2 1 49 TRP HE1 . . 4.880 3.775 2.503 4.877 . 0 0 "[ . 1 . 2]" 1
400 1 48 LYS HG3 1 49 TRP HE1 . . 4.880 3.947 2.683 4.851 . 0 0 "[ . 1 . 2]" 1
401 1 44 TRP HB2 1 45 PHE H . . 4.580 4.062 3.808 4.240 . 0 0 "[ . 1 . 2]" 1
402 1 44 TRP HE3 1 45 PHE H . . 4.650 4.323 3.922 4.651 0.001 11 0 "[ . 1 . 2]" 1
403 1 45 PHE H 1 46 LYS H . . 4.800 4.458 4.416 4.516 . 0 0 "[ . 1 . 2]" 1
404 1 45 PHE H 1 93 GLU H . . 5.360 4.975 4.527 5.317 . 0 0 "[ . 1 . 2]" 1
405 1 53 ALA H 1 55 LYS H . . 4.790 4.013 3.796 4.203 . 0 0 "[ . 1 . 2]" 1
406 1 55 LYS HB2 1 56 ALA H . . 4.720 2.889 2.740 3.125 . 0 0 "[ . 1 . 2]" 1
407 1 61 GLN HE22 1 80 ILE MD . . 5.160 5.072 4.917 5.162 0.002 6 0 "[ . 1 . 2]" 1
408 1 56 ALA HA 1 61 GLN HE22 . . 5.500 5.039 4.736 5.238 . 0 0 "[ . 1 . 2]" 1
409 1 61 GLN HA 1 61 GLN HE22 . . 4.750 3.587 3.263 3.753 . 0 0 "[ . 1 . 2]" 1
410 1 61 GLN HE21 1 80 ILE MD . . 4.360 3.969 3.706 4.134 . 0 0 "[ . 1 . 2]" 1
411 1 61 GLN HB2 1 61 GLN HE21 . . 4.820 4.257 3.993 4.413 . 0 0 "[ . 1 . 2]" 1
412 1 61 GLN HB3 1 61 GLN HE21 . . 4.800 3.815 3.396 4.164 . 0 0 "[ . 1 . 2]" 1
413 1 56 ALA HA 1 61 GLN HE21 . . 4.780 3.860 3.421 4.234 . 0 0 "[ . 1 . 2]" 1
414 1 61 GLN HA 1 61 GLN HE21 . . 4.350 2.644 1.929 3.188 . 0 0 "[ . 1 . 2]" 1
415 1 69 HIS H 1 70 SER H . . 4.920 2.902 2.751 3.245 . 0 0 "[ . 1 . 2]" 1
416 1 69 HIS H 1 71 ARG H . . 4.920 3.688 3.609 3.787 . 0 0 "[ . 1 . 2]" 1
417 1 78 GLN HE21 1 80 ILE MD . . 5.500 5.362 5.192 5.492 . 0 0 "[ . 1 . 2]" 1
418 1 63 LYS QE 1 78 GLN HE22 . . 5.180 4.431 2.270 5.183 0.003 3 0 "[ . 1 . 2]" 1
419 1 78 GLN HE22 1 80 ILE MD . . 5.500 5.417 5.275 5.523 0.023 9 0 "[ . 1 . 2]" 1
420 1 26 THR MG 1 78 GLN HE22 . . 5.330 5.051 4.771 5.257 . 0 0 "[ . 1 . 2]" 1
421 1 89 ASN HD21 1 90 TYR H . . 4.590 2.862 2.558 3.145 . 0 0 "[ . 1 . 2]" 1
422 1 89 ASN HD22 1 90 TYR H . . 4.640 3.563 3.054 3.948 . 0 0 "[ . 1 . 2]" 1
423 1 30 LYS HG2 1 31 VAL H . . 5.270 3.795 3.511 4.406 . 0 0 "[ . 1 . 2]" 1
424 1 30 LYS HG3 1 31 VAL H . . 5.270 4.127 3.167 4.486 . 0 0 "[ . 1 . 2]" 1
425 1 49 TRP HB2 1 50 MET H . . 4.730 3.210 2.697 4.198 . 0 0 "[ . 1 . 2]" 1
426 1 24 ASP H 1 25 ILE H . . 4.360 4.274 4.185 4.396 0.036 17 0 "[ . 1 . 2]" 1
427 1 33 ALA H 1 72 VAL H . . 4.970 4.897 4.746 5.008 0.038 20 0 "[ . 1 . 2]" 1
428 1 20 LYS H 1 25 ILE MD . . 5.500 5.379 5.067 5.492 . 0 0 "[ . 1 . 2]" 1
429 1 20 LYS H 1 109 VAL MG1 . . 5.500 5.042 4.928 5.211 . 0 0 "[ . 1 . 2]" 1
430 1 20 LYS H 1 20 LYS HB2 . . 3.010 2.387 2.337 2.422 . 0 0 "[ . 1 . 2]" 1
431 1 20 LYS H 1 20 LYS HB3 . . 3.380 2.715 2.675 2.768 . 0 0 "[ . 1 . 2]" 1
432 1 19 VAL HB 1 20 LYS H . . 4.150 4.065 4.011 4.117 . 0 0 "[ . 1 . 2]" 1
433 1 20 LYS H 1 23 GLU HB2 . . 3.820 2.755 2.643 2.852 . 0 0 "[ . 1 . 2]" 1
434 1 20 LYS H 1 21 VAL H . . 4.720 4.622 4.613 4.625 . 0 0 "[ . 1 . 2]" 1
435 1 81 LYS HA 1 82 ALA H . . 2.990 2.696 2.644 2.733 . 0 0 "[ . 1 . 2]" 1
436 1 79 ILE H 1 79 ILE MG . . 3.900 3.829 3.808 3.872 . 0 0 "[ . 1 . 2]" 1
437 1 27 PHE QE 1 79 ILE MG . . 4.610 4.315 4.085 4.547 . 0 0 "[ . 1 . 2]" 1
438 1 79 ILE MG 1 86 PHE HZ . . 4.730 3.894 3.704 4.041 . 0 0 "[ . 1 . 2]" 1
439 1 79 ILE MG 1 83 LYS H . . 4.350 4.071 3.893 4.207 . 0 0 "[ . 1 . 2]" 1
440 1 24 ASP HA 1 79 ILE MG . . 4.230 4.175 4.009 4.245 0.015 1 0 "[ . 1 . 2]" 1
441 1 79 ILE HA 1 79 ILE MG . . 3.190 2.425 2.358 2.460 . 0 0 "[ . 1 . 2]" 1
442 1 79 ILE MG 1 82 ALA HA . . 3.330 2.547 2.437 2.648 . 0 0 "[ . 1 . 2]" 1
443 1 79 ILE MG 1 86 PHE HB3 . . 4.340 3.364 3.105 3.554 . 0 0 "[ . 1 . 2]" 1
444 1 79 ILE HG13 1 79 ILE MG . . 3.250 3.138 3.127 3.146 . 0 0 "[ . 1 . 2]" 1
445 1 79 ILE MG 1 82 ALA MB . . 2.930 2.207 1.874 2.474 . 0 0 "[ . 1 . 2]" 1
446 1 79 ILE HG12 1 79 ILE MG . . 3.080 2.643 2.609 2.678 . 0 0 "[ . 1 . 2]" 1
447 1 46 LYS H 1 50 MET ME . . 4.090 4.080 4.007 4.126 0.036 8 0 "[ . 1 . 2]" 1
448 1 50 MET ME 1 51 ASP H . . 4.340 4.267 4.053 4.379 0.039 15 0 "[ . 1 . 2]" 1
449 1 50 MET ME 1 52 LEU HA . . 3.760 3.176 2.196 3.669 . 0 0 "[ . 1 . 2]" 1
450 1 79 ILE MG 1 80 ILE HA . . 4.660 3.878 3.823 3.987 . 0 0 "[ . 1 . 2]" 1
451 1 79 ILE MG 1 86 PHE HB2 . . 4.600 3.986 3.778 4.126 . 0 0 "[ . 1 . 2]" 1
452 1 27 PHE HZ 1 107 LEU HB3 . . 4.650 4.530 4.274 4.667 0.017 15 0 "[ . 1 . 2]" 1
453 1 27 PHE QE 1 107 LEU HB2 . . 5.130 3.867 3.543 4.406 . 0 0 "[ . 1 . 2]" 1
454 1 27 PHE HZ 1 107 LEU HB2 . . 5.300 3.429 2.904 3.915 . 0 0 "[ . 1 . 2]" 1
455 1 87 ALA HA 1 107 LEU HB2 . . 5.170 4.683 3.858 5.001 . 0 0 "[ . 1 . 2]" 1
456 1 90 TYR QE 1 107 LEU HB2 . . 4.160 3.137 2.713 3.567 . 0 0 "[ . 1 . 2]" 1
457 1 42 ILE MD 1 44 TRP HE1 . . 3.800 3.281 2.762 3.669 . 0 0 "[ . 1 . 2]" 1
458 1 42 ILE MD 1 75 PHE H . . 4.550 4.275 4.031 4.522 . 0 0 "[ . 1 . 2]" 1
459 1 29 ALA H 1 42 ILE MD . . 5.500 5.169 4.775 5.501 0.001 16 0 "[ . 1 . 2]" 1
460 1 42 ILE MD 1 44 TRP H . . 5.500 5.378 5.104 5.504 0.004 9 0 "[ . 1 . 2]" 1
461 1 42 ILE MD 1 93 GLU H . . 4.690 4.365 3.789 4.639 . 0 0 "[ . 1 . 2]" 1
462 1 42 ILE MD 1 43 LYS H . . 4.390 4.076 3.628 4.406 0.016 14 0 "[ . 1 . 2]" 1
463 1 42 ILE MD 1 75 PHE QD . . 3.130 2.339 1.974 3.059 . 0 0 "[ . 1 . 2]" 1
464 1 42 ILE MD 1 44 TRP HZ2 . . 3.220 2.768 2.303 3.085 . 0 0 "[ . 1 . 2]" 1
465 1 42 ILE MD 1 44 TRP HH2 . . 4.320 3.780 3.476 4.152 . 0 0 "[ . 1 . 2]" 1
466 1 42 ILE MD 1 75 PHE HA . . 5.040 4.745 4.388 5.041 0.001 13 0 "[ . 1 . 2]" 1
467 1 42 ILE HA 1 42 ILE MD . . 3.730 3.603 3.521 3.739 0.009 14 0 "[ . 1 . 2]" 1
468 1 42 ILE MD 1 75 PHE HB3 . . 3.330 3.038 2.587 3.345 0.015 17 0 "[ . 1 . 2]" 1
469 1 42 ILE MD 1 75 PHE HB2 . . 3.400 2.253 1.956 2.594 . 0 0 "[ . 1 . 2]" 1
470 1 42 ILE MD 1 92 CYS HB2 . . 5.020 3.786 2.304 4.708 . 0 0 "[ . 1 . 2]" 1
471 1 29 ALA MB 1 42 ILE MD . . 2.910 2.522 2.113 2.763 . 0 0 "[ . 1 . 2]" 1
472 1 42 ILE MD 1 42 ILE MG . . 2.750 2.361 2.083 2.526 . 0 0 "[ . 1 . 2]" 1
473 1 25 ILE H 1 25 ILE MG . . 3.170 2.001 1.876 2.192 . 0 0 "[ . 1 . 2]" 1
474 1 25 ILE MG 1 27 PHE QE . . 3.260 2.687 2.221 2.980 . 0 0 "[ . 1 . 2]" 1
475 1 25 ILE MG 1 27 PHE HZ . . 3.570 3.134 2.869 3.504 . 0 0 "[ . 1 . 2]" 1
476 1 24 ASP HA 1 25 ILE MG . . 3.780 3.561 3.444 3.717 . 0 0 "[ . 1 . 2]" 1
477 1 19 VAL HA 1 25 ILE MG . . 5.090 4.502 4.169 4.977 . 0 0 "[ . 1 . 2]" 1
478 1 25 ILE MG 1 79 ILE HA . . 5.420 4.507 4.351 4.641 . 0 0 "[ . 1 . 2]" 1
479 1 25 ILE MG 1 79 ILE HB . . 2.940 2.016 1.879 2.200 . 0 0 "[ . 1 . 2]" 1
480 1 19 VAL HB 1 25 ILE MG . . 3.190 2.366 1.978 2.909 . 0 0 "[ . 1 . 2]" 1
481 1 25 ILE MG 1 79 ILE HG13 . . 3.560 2.823 2.550 3.053 . 0 0 "[ . 1 . 2]" 1
482 1 25 ILE HG13 1 25 ILE MG . . 3.280 3.174 3.151 3.190 . 0 0 "[ . 1 . 2]" 1
483 1 25 ILE HG12 1 25 ILE MG . . 3.230 2.224 2.130 2.292 . 0 0 "[ . 1 . 2]" 1
484 1 16 GLY HA2 1 107 LEU HA . . 5.060 4.449 4.048 4.838 . 0 0 "[ . 1 . 2]" 1
485 1 17 GLY HA2 1 107 LEU HA . . 5.500 4.714 4.559 4.870 . 0 0 "[ . 1 . 2]" 1
486 1 17 GLY HA3 1 18 THR H . . 2.780 2.282 2.194 2.368 . 0 0 "[ . 1 . 2]" 1
487 1 17 GLY HA3 1 27 PHE QE . . 4.320 4.040 3.305 4.306 . 0 0 "[ . 1 . 2]" 1
488 1 17 GLY HA3 1 18 THR HA . . 4.590 4.360 4.353 4.376 . 0 0 "[ . 1 . 2]" 1
489 1 25 ILE MG 1 27 PHE QD . . 4.390 4.003 3.467 4.199 . 0 0 "[ . 1 . 2]" 1
490 1 16 GLY HA3 1 106 ASP H . . 4.010 2.908 2.440 3.654 . 0 0 "[ . 1 . 2]" 1
491 1 16 GLY HA3 1 27 PHE QE . . 3.940 3.478 3.144 3.814 . 0 0 "[ . 1 . 2]" 1
492 1 16 GLY HA3 1 105 PHE HB3 . . 4.510 3.911 3.436 4.253 . 0 0 "[ . 1 . 2]" 1
493 1 16 GLY HA3 1 105 PHE HB2 . . 4.510 2.436 2.074 2.763 . 0 0 "[ . 1 . 2]" 1
494 1 16 GLY HA2 1 27 PHE QE . . 4.000 2.039 1.994 2.295 . 0 0 "[ . 1 . 2]" 1
495 1 25 ILE H 1 25 ILE MD . . 4.710 4.691 4.633 4.742 0.032 3 0 "[ . 1 . 2]" 1
496 1 19 VAL H 1 25 ILE MD . . 4.060 3.676 3.504 3.928 . 0 0 "[ . 1 . 2]" 1
497 1 18 THR H 1 25 ILE MD . . 3.600 3.355 3.195 3.550 . 0 0 "[ . 1 . 2]" 1
498 1 25 ILE MD 1 27 PHE QE . . 3.540 3.011 2.732 3.363 . 0 0 "[ . 1 . 2]" 1
499 1 25 ILE MD 1 27 PHE HZ . . 3.860 2.885 2.063 3.221 . 0 0 "[ . 1 . 2]" 1
500 1 18 THR HA 1 25 ILE MD . . 4.230 4.171 4.014 4.242 0.012 17 0 "[ . 1 . 2]" 1
501 1 19 VAL HA 1 25 ILE MD . . 3.860 3.614 3.281 3.746 . 0 0 "[ . 1 . 2]" 1
502 1 17 GLY HA3 1 25 ILE MD . . 3.310 3.083 2.766 3.279 . 0 0 "[ . 1 . 2]" 1
503 1 19 VAL HB 1 25 ILE MD . . 3.100 2.102 1.996 2.252 . 0 0 "[ . 1 . 2]" 1
504 1 25 ILE HB 1 25 ILE MD . . 2.940 2.206 2.149 2.288 . 0 0 "[ . 1 . 2]" 1
505 1 19 VAL MG2 1 25 ILE MD . . 3.400 3.353 3.135 3.413 0.013 8 0 "[ . 1 . 2]" 1
506 1 114 GLY QA 1 115 THR H . . 3.340 2.290 2.109 2.777 . 0 0 "[ . 1 . 2]" 1
507 1 113 THR MG 1 114 GLY QA . . 5.500 4.555 3.340 5.134 . 0 0 "[ . 1 . 2]" 1
508 1 114 GLY QA 1 115 THR MG . . 5.500 3.933 3.189 5.068 . 0 0 "[ . 1 . 2]" 1
509 1 56 ALA HA 1 60 LEU HB2 . . 4.260 3.877 3.670 4.186 . 0 0 "[ . 1 . 2]" 1
510 1 22 GLY HA2 1 81 LYS H . . 4.810 4.142 4.011 4.240 . 0 0 "[ . 1 . 2]" 1
511 1 22 GLY HA2 1 81 LYS HB3 . . 4.450 3.171 3.017 3.374 . 0 0 "[ . 1 . 2]" 1
512 1 22 GLY HA3 1 82 ALA H . . 5.300 5.224 5.134 5.320 0.020 17 0 "[ . 1 . 2]" 1
513 1 22 GLY HA3 1 81 LYS HG2 . . 5.320 4.809 4.553 5.041 . 0 0 "[ . 1 . 2]" 1
514 1 21 VAL MG1 1 22 GLY HA3 . . 4.180 3.372 3.191 3.449 . 0 0 "[ . 1 . 2]" 1
515 1 21 VAL HB 1 22 GLY HA3 . . 5.180 4.834 4.771 4.878 . 0 0 "[ . 1 . 2]" 1
516 1 22 GLY HA3 1 81 LYS HB3 . . 5.500 4.803 4.652 5.042 . 0 0 "[ . 1 . 2]" 1
517 1 61 GLN H 1 80 ILE MD . . 3.530 2.681 2.425 2.791 . 0 0 "[ . 1 . 2]" 1
518 1 80 ILE H 1 80 ILE MD . . 3.480 1.853 1.834 1.889 . 0 0 "[ . 1 . 2]" 1
519 1 60 LEU H 1 80 ILE MD . . 3.970 3.315 2.875 3.595 . 0 0 "[ . 1 . 2]" 1
520 1 60 LEU HA 1 80 ILE MD . . 3.760 2.222 1.956 2.313 . 0 0 "[ . 1 . 2]" 1
521 1 59 HIS HA 1 80 ILE MD . . 3.610 3.234 3.004 3.430 . 0 0 "[ . 1 . 2]" 1
522 1 61 GLN HA 1 80 ILE MD . . 4.210 4.031 3.879 4.142 . 0 0 "[ . 1 . 2]" 1
523 1 79 ILE HA 1 80 ILE MD . . 4.030 3.111 2.929 3.245 . 0 0 "[ . 1 . 2]" 1
524 1 61 GLN HG3 1 80 ILE MD . . 2.980 2.392 2.091 2.655 . 0 0 "[ . 1 . 2]" 1
525 1 61 GLN HG2 1 80 ILE MD . . 3.290 2.268 2.101 2.395 . 0 0 "[ . 1 . 2]" 1
526 1 61 GLN HB3 1 80 ILE MD . . 3.920 3.752 3.636 3.900 . 0 0 "[ . 1 . 2]" 1
527 1 61 GLN HB2 1 80 ILE MD . . 2.960 2.406 2.241 2.618 . 0 0 "[ . 1 . 2]" 1
528 1 122 GLY QA 1 123 PRO QG . . 3.920 3.698 3.641 3.848 . 0 0 "[ . 1 . 2]" 1
529 1 87 ALA MB 1 88 GLY HA2 . . 4.610 3.937 3.801 4.025 . 0 0 "[ . 1 . 2]" 1
530 1 88 GLY HA2 1 89 ASN HB2 . . 4.860 4.663 4.575 4.768 . 0 0 "[ . 1 . 2]" 1
531 1 89 ASN HA 1 106 ASP QB . . 4.480 3.681 3.182 3.965 . 0 0 "[ . 1 . 2]" 1
532 1 106 ASP H 1 106 ASP QB . . 3.380 2.949 2.636 3.169 . 0 0 "[ . 1 . 2]" 1
533 1 28 ILE MD 1 29 ALA H . . 3.970 3.400 3.292 3.485 . 0 0 "[ . 1 . 2]" 1
534 1 27 PHE H 1 28 ILE MD . . 5.040 4.783 4.468 5.049 0.009 11 0 "[ . 1 . 2]" 1
535 1 28 ILE MD 1 77 MET H . . 4.680 4.527 4.133 4.710 0.030 17 0 "[ . 1 . 2]" 1
536 1 28 ILE H 1 28 ILE MD . . 3.730 3.722 3.541 3.755 0.025 11 0 "[ . 1 . 2]" 1
537 1 28 ILE HA 1 28 ILE MD . . 3.300 2.039 1.951 2.198 . 0 0 "[ . 1 . 2]" 1
538 1 27 PHE HA 1 28 ILE MD . . 4.860 4.455 4.113 4.726 . 0 0 "[ . 1 . 2]" 1
539 1 28 ILE MD 1 30 LYS QE . . 4.220 3.834 3.418 4.286 0.066 17 0 "[ . 1 . 2]" 1
540 1 28 ILE MD 1 76 GLU QG . . 3.090 1.942 1.850 2.080 . 0 0 "[ . 1 . 2]" 1
541 1 28 ILE MD 1 76 GLU HB3 . . 3.650 3.110 2.899 3.320 . 0 0 "[ . 1 . 2]" 1
542 1 71 ARG H 1 71 ARG HD2 . . 5.500 5.399 5.300 5.440 . 0 0 "[ . 1 . 2]" 1
543 1 71 ARG HB2 1 71 ARG HD2 . . 4.050 2.806 2.627 3.211 . 0 0 "[ . 1 . 2]" 1
544 1 71 ARG HB3 1 71 ARG HD2 . . 4.050 2.262 2.080 2.375 . 0 0 "[ . 1 . 2]" 1
545 1 35 ASP HA 1 71 ARG HD2 . . 4.830 4.625 4.192 4.844 0.014 4 0 "[ . 1 . 2]" 1
546 1 33 ALA MB 1 71 ARG HD2 . . 5.300 4.536 3.781 4.931 . 0 0 "[ . 1 . 2]" 1
547 1 35 ASP HA 1 71 ARG HD3 . . 4.830 4.149 3.546 4.480 . 0 0 "[ . 1 . 2]" 1
548 1 34 GLU HA 1 71 ARG HD3 . . 4.110 3.802 3.295 4.088 . 0 0 "[ . 1 . 2]" 1
549 1 71 ARG HA 1 71 ARG HD3 . . 4.350 4.044 3.876 4.376 0.026 14 0 "[ . 1 . 2]" 1
550 1 71 ARG HB2 1 71 ARG HD3 . . 4.050 3.743 3.632 3.954 . 0 0 "[ . 1 . 2]" 1
551 1 71 ARG HB3 1 71 ARG HD3 . . 4.050 2.893 2.693 3.475 . 0 0 "[ . 1 . 2]" 1
552 1 33 ALA MB 1 71 ARG HD3 . . 5.300 4.911 4.382 5.303 0.003 14 0 "[ . 1 . 2]" 1
553 1 45 PHE HB3 1 91 ARG HB3 . . 4.880 3.158 2.885 3.488 . 0 0 "[ . 1 . 2]" 1
554 1 45 PHE HB2 1 91 ARG HB2 . . 4.880 3.788 3.433 4.196 . 0 0 "[ . 1 . 2]" 1
555 1 79 ILE MD 1 90 TYR HH . . 4.000 3.422 2.888 3.718 . 0 0 "[ . 1 . 2]" 1
556 1 79 ILE H 1 79 ILE MD . . 4.590 4.249 4.135 4.437 . 0 0 "[ . 1 . 2]" 1
557 1 79 ILE MD 1 86 PHE QD . . 3.480 2.048 1.933 2.179 . 0 0 "[ . 1 . 2]" 1
558 1 27 PHE QE 1 79 ILE MD . . 3.040 2.390 2.063 2.619 . 0 0 "[ . 1 . 2]" 1
559 1 27 PHE QD 1 79 ILE MD . . 4.240 3.916 3.637 4.125 . 0 0 "[ . 1 . 2]" 1
560 1 79 ILE MD 1 90 TYR QD . . 4.310 4.269 4.076 4.336 0.026 15 0 "[ . 1 . 2]" 1
561 1 79 ILE MD 1 90 TYR QE . . 3.560 2.537 2.222 2.779 . 0 0 "[ . 1 . 2]" 1
562 1 60 LEU HA 1 79 ILE MD . . 4.810 4.823 4.811 4.847 0.037 8 0 "[ . 1 . 2]" 1
563 1 79 ILE MD 1 82 ALA HA . . 4.610 4.439 4.308 4.585 . 0 0 "[ . 1 . 2]" 1
564 1 79 ILE MD 1 86 PHE HB3 . . 3.800 3.218 2.987 3.378 . 0 0 "[ . 1 . 2]" 1
565 1 79 ILE MD 1 86 PHE HB2 . . 4.860 4.444 4.260 4.616 . 0 0 "[ . 1 . 2]" 1
566 1 79 ILE MD 1 107 LEU HB3 . . 5.380 5.174 4.990 5.352 . 0 0 "[ . 1 . 2]" 1
567 1 79 ILE HB 1 79 ILE MD . . 3.010 2.665 2.628 2.695 . 0 0 "[ . 1 . 2]" 1
568 1 25 ILE H 1 79 ILE MD . . 5.170 4.957 4.842 5.097 . 0 0 "[ . 1 . 2]" 1
569 1 100 PHE HB3 1 101 ASP H . . 4.560 4.306 3.822 4.505 . 0 0 "[ . 1 . 2]" 1
570 1 100 PHE H 1 100 PHE HB3 . . 3.740 2.512 2.377 2.891 . 0 0 "[ . 1 . 2]" 1
571 1 95 THR HA 1 100 PHE HB3 . . 4.480 3.936 1.970 4.427 . 0 0 "[ . 1 . 2]" 1
572 1 95 THR HA 1 100 PHE HB2 . . 4.480 2.343 1.982 2.719 . 0 0 "[ . 1 . 2]" 1
573 1 100 PHE HB2 1 101 ASP H . . 4.560 3.833 2.392 4.077 . 0 0 "[ . 1 . 2]" 1
574 1 100 PHE H 1 100 PHE HB2 . . 3.740 3.444 3.245 3.809 0.069 13 0 "[ . 1 . 2]" 1
575 1 90 TYR HB3 1 91 ARG H . . 4.370 2.725 2.285 3.391 . 0 0 "[ . 1 . 2]" 1
576 1 90 TYR HB2 1 91 ARG H . . 4.590 3.970 3.656 4.362 . 0 0 "[ . 1 . 2]" 1
577 1 46 LYS HE2 1 89 ASN H . . 4.560 2.754 2.038 3.877 . 0 0 "[ . 1 . 2]" 1
578 1 46 LYS HE2 1 90 TYR QE . . 4.060 3.275 2.384 4.032 . 0 0 "[ . 1 . 2]" 1
579 1 46 LYS HE2 1 46 LYS HG2 . . 3.800 3.218 2.087 3.824 0.024 12 0 "[ . 1 . 2]" 1
580 1 42 ILE HB 1 75 PHE QD . . 4.930 3.155 2.345 3.728 . 0 0 "[ . 1 . 2]" 1
581 1 42 ILE H 1 42 ILE HB . . 3.940 3.007 2.876 3.182 . 0 0 "[ . 1 . 2]" 1
582 1 42 ILE HB 1 75 PHE QE . . 4.740 3.593 3.068 4.131 . 0 0 "[ . 1 . 2]" 1
583 1 41 THR HA 1 42 ILE HB . . 4.670 4.477 4.420 4.522 . 0 0 "[ . 1 . 2]" 1
584 1 66 PHE QE 1 68 ARG QD . . 3.930 2.210 2.042 2.439 . 0 0 "[ . 1 . 2]" 1
585 1 68 ARG HB3 1 68 ARG QD . . 3.150 2.148 2.000 2.308 . 0 0 "[ . 1 . 2]" 1
586 1 68 ARG HB2 1 68 ARG QD . . 3.420 3.252 3.170 3.385 . 0 0 "[ . 1 . 2]" 1
587 1 68 ARG QD 1 68 ARG HG2 . . 2.740 2.252 2.149 2.481 . 0 0 "[ . 1 . 2]" 1
588 1 68 ARG QD 1 68 ARG HG3 . . 2.780 2.415 2.209 2.493 . 0 0 "[ . 1 . 2]" 1
589 1 36 LEU MD1 1 68 ARG QD . . 4.950 4.509 4.062 4.840 . 0 0 "[ . 1 . 2]" 1
590 1 36 LEU MD2 1 68 ARG QD . . 4.950 4.310 4.023 4.841 . 0 0 "[ . 1 . 2]" 1
591 1 46 LYS HE3 1 89 ASN H . . 4.560 3.874 2.660 4.569 0.009 17 0 "[ . 1 . 2]" 1
592 1 46 LYS HE3 1 90 TYR QE . . 4.060 2.785 1.997 3.805 . 0 0 "[ . 1 . 2]" 1
593 1 46 LYS HE3 1 46 LYS HG2 . . 3.800 3.030 2.459 3.855 0.055 17 0 "[ . 1 . 2]" 1
594 1 46 LYS HE3 1 46 LYS HG3 . . 3.800 2.999 2.257 3.710 . 0 0 "[ . 1 . 2]" 1
595 1 46 LYS HE2 1 46 LYS HG3 . . 3.800 3.188 2.344 3.712 . 0 0 "[ . 1 . 2]" 1
596 1 62 LEU HB2 1 63 LYS H . . 4.420 3.455 3.340 3.665 . 0 0 "[ . 1 . 2]" 1
597 1 61 GLN HA 1 62 LEU HB2 . . 4.940 4.774 4.742 4.821 . 0 0 "[ . 1 . 2]" 1
598 1 62 LEU HB2 1 62 LEU MD1 . . 3.500 2.276 2.160 2.383 . 0 0 "[ . 1 . 2]" 1
599 1 62 LEU HB3 1 62 LEU MD1 . . 3.610 2.384 2.290 2.458 . 0 0 "[ . 1 . 2]" 1
600 1 38 ARG QD 1 97 LYS H . . 5.500 5.139 4.292 5.506 0.006 17 0 "[ . 1 . 2]" 1
601 1 38 ARG QD 1 39 LYS H . . 4.560 3.869 3.518 4.723 0.163 14 0 "[ . 1 . 2]" 1
602 1 38 ARG H 1 38 ARG QD . . 4.300 3.721 1.849 4.278 . 0 0 "[ . 1 . 2]" 1
603 1 38 ARG QD 1 96 TYR QE . . 5.180 4.779 3.942 5.127 . 0 0 "[ . 1 . 2]" 1
604 1 38 ARG HA 1 38 ARG QD . . 3.330 2.484 2.004 3.427 0.097 14 0 "[ . 1 . 2]" 1
605 1 38 ARG QD 1 97 LYS HE2 . . 4.760 3.378 1.787 4.792 0.032 14 0 "[ . 1 . 2]" 1
606 1 38 ARG QD 1 97 LYS HE3 . . 4.760 2.920 1.972 4.225 . 0 0 "[ . 1 . 2]" 1
607 1 38 ARG QD 1 97 LYS HG2 . . 4.290 3.365 1.994 4.068 . 0 0 "[ . 1 . 2]" 1
608 1 38 ARG QD 1 97 LYS HG3 . . 4.290 2.708 1.998 4.281 . 0 0 "[ . 1 . 2]" 1
609 1 24 ASP HB2 1 81 LYS H . . 4.920 4.594 3.529 4.933 0.013 8 0 "[ . 1 . 2]" 1
610 1 24 ASP H 1 24 ASP HB2 . . 3.990 3.760 2.598 3.862 . 0 0 "[ . 1 . 2]" 1
611 1 24 ASP HB3 1 81 LYS H . . 4.920 3.838 3.491 4.942 0.022 8 0 "[ . 1 . 2]" 1
612 1 24 ASP H 1 24 ASP HB3 . . 3.990 3.041 2.532 3.731 . 0 0 "[ . 1 . 2]" 1
613 1 24 ASP HB3 1 80 ILE HA . . 4.420 3.248 2.943 4.265 . 0 0 "[ . 1 . 2]" 1
614 1 80 ILE MG 1 81 LYS QE . . 3.340 3.076 2.817 3.210 . 0 0 "[ . 1 . 2]" 1
615 1 81 LYS H 1 81 LYS QE . . 5.210 4.888 4.654 5.176 . 0 0 "[ . 1 . 2]" 1
616 1 81 LYS HB2 1 81 LYS QE . . 4.020 3.851 3.682 4.049 0.029 19 0 "[ . 1 . 2]" 1
617 1 81 LYS HB3 1 81 LYS QE . . 4.020 3.962 3.917 4.037 0.017 3 0 "[ . 1 . 2]" 1
618 1 43 LYS HE2 1 45 PHE HZ . . 4.700 4.510 3.841 4.765 0.065 4 0 "[ . 1 . 2]" 1
619 1 30 LYS HA 1 30 LYS QE . . 4.340 4.094 3.932 4.396 0.056 10 0 "[ . 1 . 2]" 1
620 1 20 LYS QE 1 110 HIS HD2 . . 5.500 5.512 5.319 5.534 0.034 4 0 "[ . 1 . 2]" 1
621 1 43 LYS HE3 1 45 PHE HZ . . 4.700 3.909 3.522 4.708 0.008 11 0 "[ . 1 . 2]" 1
622 1 12 GLU HG3 1 30 LYS QE . . 4.510 3.522 1.976 4.527 0.017 10 0 "[ . 1 . 2]" 1
623 1 12 GLU HB2 1 30 LYS QE . . 3.770 2.494 2.006 3.184 . 0 0 "[ . 1 . 2]" 1
624 1 30 LYS QE 1 30 LYS HG3 . . 3.480 2.420 2.070 3.547 0.067 19 0 "[ . 1 . 2]" 1
625 1 30 LYS QE 1 30 LYS HG2 . . 3.480 3.070 2.386 3.380 . 0 0 "[ . 1 . 2]" 1
626 1 30 LYS QE 1 74 THR MG . . 3.000 2.704 2.059 3.011 0.011 19 0 "[ . 1 . 2]" 1
627 1 28 ILE MG 1 30 LYS QE . . 2.710 2.097 1.820 2.744 0.034 17 0 "[ . 1 . 2]" 1
628 1 37 LEU H 1 37 LEU HB3 . . 3.630 3.578 3.552 3.645 0.015 14 0 "[ . 1 . 2]" 1
629 1 20 LYS H 1 20 LYS QE . . 4.110 3.957 3.664 4.083 . 0 0 "[ . 1 . 2]" 1
630 1 20 LYS QE 1 21 VAL H . . 4.760 4.486 4.286 4.576 . 0 0 "[ . 1 . 2]" 1
631 1 20 LYS QE 1 110 HIS HE1 . . 5.500 5.508 5.440 5.534 0.034 17 0 "[ . 1 . 2]" 1
632 1 20 LYS QE 1 112 SER HA . . 4.150 3.917 3.746 4.153 0.003 10 0 "[ . 1 . 2]" 1
633 1 20 LYS QD 1 20 LYS QE . . 2.480 2.024 1.995 2.066 . 0 0 "[ . 1 . 2]" 1
634 1 20 LYS HB2 1 20 LYS QE . . 2.630 1.968 1.947 2.056 . 0 0 "[ . 1 . 2]" 1
635 1 32 LYS QE 1 33 ALA H . . 4.310 3.423 3.139 3.689 . 0 0 "[ . 1 . 2]" 1
636 1 32 LYS H 1 32 LYS QE . . 5.500 5.487 5.324 5.518 0.018 17 0 "[ . 1 . 2]" 1
637 1 32 LYS QE 1 34 GLU HA . . 5.170 5.142 4.777 5.241 0.071 20 0 "[ . 1 . 2]" 1
638 1 11 ILE MD 1 32 LYS QE . . 4.140 3.807 2.908 4.150 0.010 11 0 "[ . 1 . 2]" 1
639 1 58 LYS HA 1 58 LYS QE . . 4.780 4.496 3.799 4.799 0.019 6 0 "[ . 1 . 2]" 1
640 1 50 MET HG3 1 55 LYS HE2 . . 4.500 3.274 2.637 4.505 0.005 14 0 "[ . 1 . 2]" 1
641 1 58 LYS QE 1 58 LYS HG3 . . 3.510 2.856 2.172 3.503 . 0 0 "[ . 1 . 2]" 1
642 1 58 LYS H 1 58 LYS QE . . 4.950 4.605 3.716 4.927 . 0 0 "[ . 1 . 2]" 1
643 1 58 LYS QE 1 59 HIS HD2 . . 5.500 4.238 2.542 5.464 . 0 0 "[ . 1 . 2]" 1
644 1 63 LYS QE 1 63 LYS QG . . 3.100 2.208 2.022 2.624 . 0 0 "[ . 1 . 2]" 1
645 1 59 HIS HD2 1 83 LYS HE3 . . 5.360 4.034 2.893 5.051 . 0 0 "[ . 1 . 2]" 1
646 1 83 LYS HE2 1 86 PHE QE . . 4.160 3.326 2.423 3.677 . 0 0 "[ . 1 . 2]" 1
647 1 59 HIS HD2 1 83 LYS HE2 . . 5.360 4.097 2.219 5.093 . 0 0 "[ . 1 . 2]" 1
648 1 83 LYS HE2 1 86 PHE HZ . . 4.590 3.749 2.784 4.296 . 0 0 "[ . 1 . 2]" 1
649 1 83 LYS HE2 1 83 LYS HG2 . . 3.930 2.891 2.544 3.912 . 0 0 "[ . 1 . 2]" 1
650 1 83 LYS HE2 1 83 LYS HG3 . . 3.750 2.624 2.228 3.592 . 0 0 "[ . 1 . 2]" 1
651 1 83 LYS HE3 1 86 PHE QE . . 4.160 2.880 2.034 4.167 0.007 7 0 "[ . 1 . 2]" 1
652 1 83 LYS HE3 1 86 PHE HZ . . 4.590 3.405 2.523 4.674 0.084 7 0 "[ . 1 . 2]" 1
653 1 83 LYS HE3 1 83 LYS HG2 . . 3.930 3.518 2.755 3.855 . 0 0 "[ . 1 . 2]" 1
654 1 83 LYS HE3 1 83 LYS HG3 . . 3.750 2.995 2.354 3.641 . 0 0 "[ . 1 . 2]" 1
655 1 48 LYS HE2 1 48 LYS HG3 . . 3.920 3.005 2.283 3.881 . 0 0 "[ . 1 . 2]" 1
656 1 48 LYS HE2 1 48 LYS HG2 . . 3.920 3.173 2.242 4.054 0.134 16 0 "[ . 1 . 2]" 1
657 1 48 LYS HE3 1 48 LYS HG3 . . 3.920 3.184 2.071 3.921 0.001 12 0 "[ . 1 . 2]" 1
658 1 48 LYS HE3 1 48 LYS HG2 . . 3.920 3.285 2.305 4.167 0.247 15 0 "[ . 1 . 2]" 1
659 1 39 LYS HE2 1 73 TYR QE . . 4.590 3.211 2.000 4.616 0.026 20 0 "[ . 1 . 2]" 1
660 1 39 LYS HB3 1 39 LYS HE2 . . 4.310 3.595 2.345 4.228 . 0 0 "[ . 1 . 2]" 1
661 1 39 LYS HE2 1 39 LYS HG3 . . 3.940 2.886 2.201 4.145 0.205 18 0 "[ . 1 . 2]" 1
662 1 39 LYS HE3 1 73 TYR QE . . 4.590 3.919 3.014 4.599 0.009 13 0 "[ . 1 . 2]" 1
663 1 39 LYS HB3 1 39 LYS HE3 . . 4.310 3.178 2.013 4.339 0.029 17 0 "[ . 1 . 2]" 1
664 1 39 LYS HE3 1 39 LYS HG2 . . 3.940 3.517 2.392 4.164 0.224 20 0 "[ . 1 . 2]" 1
665 1 39 LYS HE3 1 39 LYS HG3 . . 3.940 3.286 2.602 4.071 0.131 17 0 "[ . 1 . 2]" 1
666 1 89 ASN HB2 1 90 TYR H . . 4.310 4.208 4.019 4.322 0.012 19 0 "[ . 1 . 2]" 1
667 1 89 ASN HB2 1 89 ASN HD21 . . 3.520 2.597 2.427 2.708 . 0 0 "[ . 1 . 2]" 1
668 1 89 ASN HB2 1 106 ASP HA . . 4.920 4.656 4.163 4.927 0.007 10 0 "[ . 1 . 2]" 1
669 1 88 GLY HA3 1 89 ASN HB2 . . 4.860 4.804 4.617 4.871 0.011 13 0 "[ . 1 . 2]" 1
670 1 89 ASN HB3 1 90 TYR H . . 4.400 4.233 3.974 4.387 . 0 0 "[ . 1 . 2]" 1
671 1 47 GLY H 1 89 ASN HB3 . . 4.890 3.544 2.869 4.136 . 0 0 "[ . 1 . 2]" 1
672 1 36 LEU H 1 36 LEU QB . . 3.810 2.583 2.326 2.786 . 0 0 "[ . 1 . 2]" 1
673 1 36 LEU QB 1 37 LEU H . . 4.420 2.589 2.318 3.509 . 0 0 "[ . 1 . 2]" 1
674 1 44 TRP HZ2 1 75 PHE HB3 . . 4.010 3.426 3.038 3.640 . 0 0 "[ . 1 . 2]" 1
675 1 73 TYR H 1 73 TYR HB3 . . 4.130 3.614 3.586 3.667 . 0 0 "[ . 1 . 2]" 1
676 1 73 TYR HB3 1 75 PHE HZ . . 4.790 2.622 2.320 2.942 . 0 0 "[ . 1 . 2]" 1
677 1 28 ILE HB 1 29 ALA H . . 4.570 4.113 3.945 4.270 . 0 0 "[ . 1 . 2]" 1
678 1 28 ILE H 1 28 ILE HB . . 3.340 2.511 2.419 2.587 . 0 0 "[ . 1 . 2]" 1
679 1 27 PHE HA 1 28 ILE HB . . 4.510 4.538 4.516 4.574 0.064 12 0 "[ . 1 . 2]" 1
680 1 12 GLU HG3 1 28 ILE HB . . 5.500 4.766 3.691 5.506 0.006 3 0 "[ . 1 . 2]" 1
681 1 35 ASP H 1 35 ASP HB2 . . 3.890 2.590 2.211 3.676 . 0 0 "[ . 1 . 2]" 1
682 1 31 VAL HB 1 73 TYR HB2 . . 4.430 3.685 2.256 4.441 0.011 16 0 "[ . 1 . 2]" 1
683 1 73 TYR HB2 1 75 PHE QE . . 4.240 3.059 2.387 3.472 . 0 0 "[ . 1 . 2]" 1
684 1 40 PRO HG2 1 73 TYR HB2 . . 4.720 3.188 2.607 3.677 . 0 0 "[ . 1 . 2]" 1
685 1 40 PRO HG2 1 73 TYR HB3 . . 4.740 3.752 3.239 4.134 . 0 0 "[ . 1 . 2]" 1
686 1 120 ASP H 1 120 ASP HB2 . . 4.030 2.793 2.200 3.962 . 0 0 "[ . 1 . 2]" 1
687 1 65 THR HB 1 74 THR H . . 5.270 5.155 4.953 5.279 0.009 13 0 "[ . 1 . 2]" 1
688 1 65 THR H 1 65 THR HB . . 3.470 3.222 3.165 3.325 . 0 0 "[ . 1 . 2]" 1
689 1 64 GLU HA 1 65 THR HB . . 4.780 4.434 4.354 4.512 . 0 0 "[ . 1 . 2]" 1
690 1 51 ASP HB2 1 52 LEU H . . 4.830 4.369 3.986 4.552 . 0 0 "[ . 1 . 2]" 1
691 1 51 ASP H 1 51 ASP HB2 . . 3.510 2.971 2.572 3.154 . 0 0 "[ . 1 . 2]" 1
692 1 45 PHE QE 1 51 ASP HB2 . . 4.460 2.269 1.997 2.953 . 0 0 "[ . 1 . 2]" 1
693 1 50 MET HA 1 51 ASP HB3 . . 5.050 4.590 4.365 4.947 . 0 0 "[ . 1 . 2]" 1
694 1 51 ASP HB3 1 52 LEU H . . 4.830 4.353 4.186 4.507 . 0 0 "[ . 1 . 2]" 1
695 1 51 ASP H 1 51 ASP HB3 . . 3.510 2.559 2.392 2.839 . 0 0 "[ . 1 . 2]" 1
696 1 45 PHE QE 1 51 ASP HB3 . . 4.460 3.812 3.485 4.464 0.004 13 0 "[ . 1 . 2]" 1
697 1 52 LEU HB3 1 53 ALA H . . 4.860 3.830 3.562 4.030 . 0 0 "[ . 1 . 2]" 1
698 1 44 TRP HB2 1 52 LEU HB3 . . 4.610 3.612 3.391 3.927 . 0 0 "[ . 1 . 2]" 1
699 1 80 ILE HB 1 81 LYS H . . 4.480 3.809 3.631 3.986 . 0 0 "[ . 1 . 2]" 1
700 1 80 ILE HB 1 80 ILE MD . . 3.250 2.188 2.096 2.254 . 0 0 "[ . 1 . 2]" 1
701 1 79 ILE HA 1 80 ILE HB . . 5.030 4.903 4.843 4.978 . 0 0 "[ . 1 . 2]" 1
702 1 18 THR HB 1 19 VAL H . . 4.340 4.202 4.125 4.290 . 0 0 "[ . 1 . 2]" 1
703 1 18 THR H 1 18 THR HB . . 3.030 2.926 2.795 2.990 . 0 0 "[ . 1 . 2]" 1
704 1 18 THR HB 1 110 HIS HE1 . . 5.250 5.180 5.020 5.258 0.008 5 0 "[ . 1 . 2]" 1
705 1 17 GLY HA3 1 18 THR HB . . 5.170 5.081 4.949 5.178 0.008 19 0 "[ . 1 . 2]" 1
706 1 18 THR HB 1 108 GLU HB2 . . 4.310 4.011 3.759 4.255 . 0 0 "[ . 1 . 2]" 1
707 1 98 ASP HB2 1 99 LYS H . . 4.800 2.862 1.946 4.133 . 0 0 "[ . 1 . 2]" 1
708 1 84 ASP HB2 1 85 ASN H . . 4.500 4.140 3.159 4.416 . 0 0 "[ . 1 . 2]" 1
709 1 21 VAL MG2 1 84 ASP HB2 . . 4.300 4.000 3.387 4.259 . 0 0 "[ . 1 . 2]" 1
710 1 84 ASP H 1 84 ASP HB3 . . 3.610 2.423 2.191 3.590 . 0 0 "[ . 1 . 2]" 1
711 1 84 ASP HA 1 84 ASP HB3 . . 3.020 2.638 2.456 2.968 . 0 0 "[ . 1 . 2]" 1
712 1 21 VAL MG2 1 84 ASP HB3 . . 4.300 3.469 2.949 4.331 0.031 13 0 "[ . 1 . 2]" 1
713 1 41 THR H 1 41 THR HB . . 3.950 2.669 2.474 2.835 . 0 0 "[ . 1 . 2]" 1
714 1 41 THR HB 1 42 ILE H . . 4.090 3.999 3.905 4.095 0.005 16 0 "[ . 1 . 2]" 1
715 1 26 THR HB 1 27 PHE H . . 4.170 3.909 3.780 4.040 . 0 0 "[ . 1 . 2]" 1
716 1 26 THR H 1 26 THR HB . . 3.070 2.923 2.832 2.998 . 0 0 "[ . 1 . 2]" 1
717 1 26 THR HB 1 78 GLN QG . . 4.660 4.291 4.062 4.570 . 0 0 "[ . 1 . 2]" 1
718 1 26 THR HB 1 76 GLU HB3 . . 4.900 4.642 4.456 4.771 . 0 0 "[ . 1 . 2]" 1
719 1 26 THR HB 1 28 ILE HG12 . . 5.150 4.865 4.615 5.069 . 0 0 "[ . 1 . 2]" 1
720 1 25 ILE HG13 1 26 THR HB . . 4.860 4.804 4.716 4.872 0.012 7 0 "[ . 1 . 2]" 1
721 1 26 THR HB 1 28 ILE MD . . 4.470 4.366 4.042 4.476 0.006 11 0 "[ . 1 . 2]" 1
722 1 25 ILE HG12 1 26 THR HB . . 5.180 5.094 4.928 5.181 0.001 6 0 "[ . 1 . 2]" 1
723 1 26 THR HB 1 76 GLU QG . . 5.500 5.487 5.354 5.533 0.033 4 0 "[ . 1 . 2]" 1
724 1 98 ASP H 1 98 ASP HB2 . . 3.900 2.598 2.229 3.567 . 0 0 "[ . 1 . 2]" 1
725 1 98 ASP H 1 98 ASP HB3 . . 3.900 3.514 2.865 3.882 . 0 0 "[ . 1 . 2]" 1
726 1 16 GLY H 1 105 PHE HB3 . . 4.610 2.893 1.973 3.699 . 0 0 "[ . 1 . 2]" 1
727 1 10 PHE QB 1 13 LYS QD . . 4.740 3.898 2.406 4.741 0.001 15 0 "[ . 1 . 2]" 1
728 1 105 PHE HB2 1 106 ASP H . . 4.310 2.077 1.918 2.661 . 0 0 "[ . 1 . 2]" 1
729 1 115 THR HB 1 116 THR H . . 4.480 3.451 2.267 4.341 . 0 0 "[ . 1 . 2]" 1
730 1 11 ILE HB 1 11 ILE MD . . 3.750 2.629 2.097 3.230 . 0 0 "[ . 1 . 2]" 1
731 1 74 THR H 1 74 THR HB . . 3.540 2.735 2.583 2.882 . 0 0 "[ . 1 . 2]" 1
732 1 74 THR HB 1 75 PHE H . . 4.690 4.333 4.100 4.427 . 0 0 "[ . 1 . 2]" 1
733 1 43 LYS HB3 1 43 LYS QD . . 3.700 3.425 3.385 3.506 . 0 0 "[ . 1 . 2]" 1
734 1 43 LYS HB3 1 44 TRP H . . 4.750 4.171 3.934 4.265 . 0 0 "[ . 1 . 2]" 1
735 1 43 LYS HB3 1 45 PHE QE . . 4.000 2.354 2.075 2.592 . 0 0 "[ . 1 . 2]" 1
736 1 43 LYS HB3 1 43 LYS HE2 . . 5.500 3.946 3.200 4.942 . 0 0 "[ . 1 . 2]" 1
737 1 43 LYS HB3 1 43 LYS HE3 . . 5.500 4.011 3.401 4.825 . 0 0 "[ . 1 . 2]" 1
738 1 43 LYS HB3 1 93 GLU HB3 . . 5.000 4.217 3.820 4.615 . 0 0 "[ . 1 . 2]" 1
739 1 43 LYS HB2 1 44 TRP H . . 4.720 4.394 4.216 4.456 . 0 0 "[ . 1 . 2]" 1
740 1 43 LYS HB2 1 45 PHE QE . . 4.230 3.728 3.495 4.007 . 0 0 "[ . 1 . 2]" 1
741 1 43 LYS HB2 1 93 GLU HB2 . . 4.980 4.258 3.758 4.753 . 0 0 "[ . 1 . 2]" 1
742 1 43 LYS HB2 1 43 LYS QD . . 3.830 2.420 2.308 2.666 . 0 0 "[ . 1 . 2]" 1
743 1 43 LYS HB3 1 93 GLU HB2 . . 4.040 2.853 2.399 3.268 . 0 0 "[ . 1 . 2]" 1
744 1 67 GLU HA 1 67 GLU HG2 . . 3.570 2.527 2.194 3.517 . 0 0 "[ . 1 . 2]" 1
745 1 67 GLU HA 1 67 GLU HG3 . . 3.570 2.837 2.321 3.605 0.035 3 0 "[ . 1 . 2]" 1
746 1 79 ILE H 1 79 ILE HB . . 3.530 2.602 2.546 2.710 . 0 0 "[ . 1 . 2]" 1
747 1 27 PHE QE 1 79 ILE HB . . 4.800 3.839 3.577 4.221 . 0 0 "[ . 1 . 2]" 1
748 1 19 VAL MG2 1 23 GLU HG2 . . 4.370 3.955 3.436 4.293 . 0 0 "[ . 1 . 2]" 1
749 1 23 GLU H 1 23 GLU HG2 . . 4.250 3.886 3.165 4.216 . 0 0 "[ . 1 . 2]" 1
750 1 20 LYS HB3 1 23 GLU HG2 . . 3.920 2.933 2.065 3.714 . 0 0 "[ . 1 . 2]" 1
751 1 23 GLU H 1 23 GLU HG3 . . 4.250 3.693 3.040 4.282 0.032 18 0 "[ . 1 . 2]" 1
752 1 20 LYS HB3 1 23 GLU HG3 . . 3.920 2.851 2.044 3.922 0.002 9 0 "[ . 1 . 2]" 1
753 1 19 VAL MG2 1 23 GLU HG3 . . 4.370 3.988 3.374 4.324 . 0 0 "[ . 1 . 2]" 1
754 1 62 LEU HA 1 63 LYS HB3 . . 5.230 4.990 4.936 5.038 . 0 0 "[ . 1 . 2]" 1
755 1 63 LYS HB3 1 63 LYS QE . . 4.370 3.839 2.115 4.351 . 0 0 "[ . 1 . 2]" 1
756 1 63 LYS HB3 1 63 LYS QD . . 3.270 2.838 2.330 3.366 0.096 16 0 "[ . 1 . 2]" 1
757 1 63 LYS HB2 1 63 LYS QE . . 4.290 3.741 2.439 4.122 . 0 0 "[ . 1 . 2]" 1
758 1 63 LYS HB2 1 76 GLU H . . 4.470 4.030 3.827 4.136 . 0 0 "[ . 1 . 2]" 1
759 1 63 LYS H 1 63 LYS HB2 . . 3.630 2.862 2.770 2.915 . 0 0 "[ . 1 . 2]" 1
760 1 63 LYS HB2 1 64 GLU H . . 4.330 4.196 4.128 4.249 . 0 0 "[ . 1 . 2]" 1
761 1 63 LYS HB2 1 76 GLU QG . . 4.650 4.665 4.642 4.703 0.053 15 0 "[ . 1 . 2]" 1
762 1 86 PHE HB3 1 90 TYR HH . . 4.640 2.417 2.136 2.749 . 0 0 "[ . 1 . 2]" 1
763 1 86 PHE HB2 1 90 TYR HH . . 4.670 3.946 3.721 4.256 . 0 0 "[ . 1 . 2]" 1
764 1 85 ASN HB2 1 86 PHE H . . 4.690 3.579 3.023 4.379 . 0 0 "[ . 1 . 2]" 1
765 1 76 GLU H 1 76 GLU QG . . 3.790 2.808 2.428 3.384 . 0 0 "[ . 1 . 2]" 1
766 1 28 ILE HA 1 76 GLU QG . . 4.420 2.753 2.238 2.933 . 0 0 "[ . 1 . 2]" 1
767 1 28 ILE HB 1 76 GLU QG . . 5.370 5.184 4.887 5.309 . 0 0 "[ . 1 . 2]" 1
768 1 74 THR MG 1 76 GLU QG . . 3.390 2.662 2.442 2.895 . 0 0 "[ . 1 . 2]" 1
769 1 26 THR MG 1 76 GLU QG . . 3.400 3.377 3.250 3.438 0.038 8 0 "[ . 1 . 2]" 1
770 1 93 GLU HG2 1 102 SER QB . . 4.410 2.827 1.848 3.925 . 0 0 "[ . 1 . 2]" 1
771 1 34 GLU HG2 1 35 ASP H . . 5.180 4.947 4.835 5.195 0.015 2 0 "[ . 1 . 2]" 1
772 1 34 GLU H 1 34 GLU HG2 . . 3.980 3.924 3.737 3.979 . 0 0 "[ . 1 . 2]" 1
773 1 34 GLU HA 1 34 GLU HG2 . . 3.480 2.618 2.397 2.824 . 0 0 "[ . 1 . 2]" 1
774 1 32 LYS QE 1 34 GLU HG2 . . 5.250 4.728 4.225 5.079 . 0 0 "[ . 1 . 2]" 1
775 1 32 LYS HG3 1 34 GLU HG2 . . 4.830 4.408 3.951 4.708 . 0 0 "[ . 1 . 2]" 1
776 1 34 GLU HG3 1 96 TYR QE . . 4.030 3.722 3.038 4.034 0.004 15 0 "[ . 1 . 2]" 1
777 1 32 LYS QE 1 34 GLU HG3 . . 5.500 5.202 4.792 5.483 . 0 0 "[ . 1 . 2]" 1
778 1 32 LYS HG3 1 34 GLU HG3 . . 4.680 4.249 3.774 4.536 . 0 0 "[ . 1 . 2]" 1
779 1 34 GLU H 1 34 GLU HG3 . . 3.560 2.824 2.591 3.127 . 0 0 "[ . 1 . 2]" 1
780 1 34 GLU HG3 1 35 ASP H . . 4.890 4.221 3.985 4.899 0.009 2 0 "[ . 1 . 2]" 1
781 1 33 ALA HA 1 34 GLU HG3 . . 4.400 3.498 3.243 3.963 . 0 0 "[ . 1 . 2]" 1
782 1 87 ALA MB 1 108 GLU HG2 . . 5.500 4.328 3.721 5.326 . 0 0 "[ . 1 . 2]" 1
783 1 108 GLU HG2 1 109 VAL H . . 4.720 3.933 3.492 4.669 . 0 0 "[ . 1 . 2]" 1
784 1 18 THR HA 1 108 GLU HG2 . . 5.500 5.404 5.142 5.545 0.045 13 0 "[ . 1 . 2]" 1
785 1 111 GLU H 1 111 GLU HG3 . . 3.570 2.458 2.313 2.642 . 0 0 "[ . 1 . 2]" 1
786 1 111 GLU HA 1 111 GLU HG3 . . 3.520 3.312 3.203 3.447 . 0 0 "[ . 1 . 2]" 1
787 1 21 VAL MG2 1 111 GLU HG3 . . 4.530 4.236 4.095 4.352 . 0 0 "[ . 1 . 2]" 1
788 1 108 GLU HG3 1 109 VAL H . . 4.720 4.493 3.934 4.718 . 0 0 "[ . 1 . 2]" 1
789 1 110 HIS HA 1 111 GLU HG3 . . 4.600 4.137 3.924 4.251 . 0 0 "[ . 1 . 2]" 1
790 1 110 HIS HA 1 111 GLU HG2 . . 4.940 4.746 4.455 4.918 . 0 0 "[ . 1 . 2]" 1
791 1 64 GLU QG 1 65 THR H . . 3.510 2.651 2.453 2.867 . 0 0 "[ . 1 . 2]" 1
792 1 12 GLU HG2 1 30 LYS QE . . 4.510 2.642 2.096 3.824 . 0 0 "[ . 1 . 2]" 1
793 1 12 GLU HG2 1 28 ILE HB . . 5.500 4.407 3.472 5.503 0.003 5 0 "[ . 1 . 2]" 1
794 1 87 ALA MB 1 108 GLU HG3 . . 5.500 4.673 3.884 5.163 . 0 0 "[ . 1 . 2]" 1
795 1 64 GLU QG 1 75 PHE QE . . 3.780 2.079 1.792 2.418 . 0 0 "[ . 1 . 2]" 1
796 1 64 GLU QG 1 73 TYR QE . . 4.940 4.865 4.696 4.962 0.022 4 0 "[ . 1 . 2]" 1
797 1 64 GLU HA 1 64 GLU QG . . 3.470 2.672 2.610 2.711 . 0 0 "[ . 1 . 2]" 1
798 1 64 GLU QG 1 65 THR HA . . 4.570 3.460 3.156 3.927 . 0 0 "[ . 1 . 2]" 1
799 1 64 GLU QG 1 75 PHE HB3 . . 4.750 4.456 4.186 4.722 . 0 0 "[ . 1 . 2]" 1
800 1 64 GLU QG 1 76 GLU H . . 5.500 5.464 5.381 5.534 0.034 14 0 "[ . 1 . 2]" 1
801 1 64 GLU QG 1 75 PHE QD . . 3.470 2.208 1.981 2.624 . 0 0 "[ . 1 . 2]" 1
802 1 64 GLU QG 1 73 TYR QD . . 3.930 3.553 3.339 3.734 . 0 0 "[ . 1 . 2]" 1
803 1 12 GLU HG2 1 30 LYS QB . . 4.890 4.101 3.447 4.951 0.061 11 0 "[ . 1 . 2]" 1
804 1 11 ILE MG 1 12 GLU HG2 . . 4.830 4.512 3.813 4.833 0.003 14 0 "[ . 1 . 2]" 1
805 1 12 GLU HG2 1 28 ILE MG . . 4.630 2.858 1.974 4.074 . 0 0 "[ . 1 . 2]" 1
806 1 12 GLU HA 1 12 GLU HG3 . . 3.640 2.784 2.444 3.641 0.001 11 0 "[ . 1 . 2]" 1
807 1 12 GLU HG3 1 30 LYS QB . . 4.890 4.524 3.539 4.913 0.023 4 0 "[ . 1 . 2]" 1
808 1 11 ILE MG 1 12 GLU HG3 . . 4.830 4.687 4.159 4.871 0.041 17 0 "[ . 1 . 2]" 1
809 1 46 LYS HB3 1 50 MET HB3 . . 4.680 2.518 1.991 3.087 . 0 0 "[ . 1 . 2]" 1
810 1 100 PHE HZ 1 102 SER QB . . 4.180 2.638 1.979 4.093 . 0 0 "[ . 1 . 2]" 1
811 1 93 GLU HA 1 102 SER QB . . 4.170 2.848 2.072 3.519 . 0 0 "[ . 1 . 2]" 1
812 1 94 VAL H 1 102 SER QB . . 4.260 3.780 3.107 4.287 0.027 14 0 "[ . 1 . 2]" 1
813 1 100 PHE QE 1 102 SER QB . . 4.000 2.915 1.992 3.598 . 0 0 "[ . 1 . 2]" 1
814 1 93 GLU HG3 1 102 SER QB . . 4.410 3.333 2.002 4.254 . 0 0 "[ . 1 . 2]" 1
815 1 83 LYS HB3 1 84 ASP H . . 4.460 2.484 2.337 2.632 . 0 0 "[ . 1 . 2]" 1
816 1 45 PHE HB3 1 91 ARG HB2 . . 4.880 4.449 4.007 4.824 . 0 0 "[ . 1 . 2]" 1
817 1 91 ARG HB2 1 92 CYS H . . 4.360 4.208 3.911 4.367 0.007 2 0 "[ . 1 . 2]" 1
818 1 67 GLU H 1 72 VAL HB . . 5.500 4.785 4.600 4.965 . 0 0 "[ . 1 . 2]" 1
819 1 67 GLU HB3 1 72 VAL HB . . 4.970 4.482 3.947 4.974 0.004 17 0 "[ . 1 . 2]" 1
820 1 72 VAL HB 1 73 TYR H . . 4.570 4.127 3.994 4.235 . 0 0 "[ . 1 . 2]" 1
821 1 91 ARG HB3 1 92 CYS H . . 4.360 3.990 3.430 4.307 . 0 0 "[ . 1 . 2]" 1
822 1 91 ARG HB3 1 104 SER HA . . 5.390 5.194 4.955 5.372 . 0 0 "[ . 1 . 2]" 1
823 1 45 PHE HB2 1 91 ARG HB3 . . 4.880 2.145 1.992 2.440 . 0 0 "[ . 1 . 2]" 1
824 1 104 SER H 1 104 SER QB . . 3.100 2.936 2.562 3.123 0.023 13 0 "[ . 1 . 2]" 1
825 1 104 SER QB 1 105 PHE H . . 3.160 2.822 2.387 3.165 0.005 16 0 "[ . 1 . 2]" 1
826 1 89 ASN HD21 1 104 SER QB . . 4.300 4.026 3.742 4.289 . 0 0 "[ . 1 . 2]" 1
827 1 89 ASN HD22 1 104 SER QB . . 3.610 2.624 2.310 3.178 . 0 0 "[ . 1 . 2]" 1
828 1 91 ARG HA 1 104 SER QB . . 3.960 2.975 2.408 3.911 . 0 0 "[ . 1 . 2]" 1
829 1 103 CYS HA 1 104 SER QB . . 4.380 4.208 3.935 4.383 0.003 5 0 "[ . 1 . 2]" 1
830 1 103 CYS QB 1 104 SER QB . . 5.500 4.935 4.500 5.389 . 0 0 "[ . 1 . 2]" 1
831 1 60 LEU H 1 61 GLN HG3 . . 5.500 5.388 5.141 5.514 0.014 5 0 "[ . 1 . 2]" 1
832 1 76 GLU H 1 76 GLU HB3 . . 4.030 3.826 3.755 3.917 . 0 0 "[ . 1 . 2]" 1
833 1 63 LYS H 1 76 GLU HB3 . . 5.370 4.975 4.597 5.180 . 0 0 "[ . 1 . 2]" 1
834 1 76 GLU H 1 76 GLU HB2 . . 3.960 2.786 2.660 2.942 . 0 0 "[ . 1 . 2]" 1
835 1 63 LYS H 1 76 GLU HB2 . . 4.380 3.778 3.549 3.961 . 0 0 "[ . 1 . 2]" 1
836 1 28 ILE MD 1 76 GLU HB2 . . 4.450 4.218 4.046 4.395 . 0 0 "[ . 1 . 2]" 1
837 1 61 GLN H 1 61 GLN HG3 . . 4.460 4.354 4.135 4.463 0.003 10 0 "[ . 1 . 2]" 1
838 1 61 GLN HA 1 61 GLN HG3 . . 3.870 3.771 3.739 3.792 . 0 0 "[ . 1 . 2]" 1
839 1 61 GLN HG2 1 62 LEU H . . 4.860 4.871 4.835 4.901 0.041 6 0 "[ . 1 . 2]" 1
840 1 63 LYS QG 1 76 GLU HB3 . . 5.500 5.177 4.863 5.455 . 0 0 "[ . 1 . 2]" 1
841 1 74 THR MG 1 76 GLU HB3 . . 5.320 5.101 4.918 5.262 . 0 0 "[ . 1 . 2]" 1
842 1 75 PHE HA 1 76 GLU HB2 . . 4.780 4.696 4.530 4.785 0.005 19 0 "[ . 1 . 2]" 1
843 1 26 THR MG 1 76 GLU HB2 . . 3.740 3.208 3.028 3.338 . 0 0 "[ . 1 . 2]" 1
844 1 63 LYS QG 1 76 GLU HB2 . . 4.490 3.692 3.395 3.966 . 0 0 "[ . 1 . 2]" 1
845 1 15 GLN H 1 15 GLN QG . . 3.160 2.720 2.357 3.162 0.002 11 0 "[ . 1 . 2]" 1
846 1 15 GLN HA 1 15 GLN QG . . 3.090 2.786 2.247 3.077 . 0 0 "[ . 1 . 2]" 1
847 1 15 GLN HB2 1 15 GLN QG . . 2.620 2.249 2.153 2.477 . 0 0 "[ . 1 . 2]" 1
848 1 15 GLN HB3 1 15 GLN QG . . 2.620 2.236 2.141 2.316 . 0 0 "[ . 1 . 2]" 1
849 1 64 GLU HB3 1 65 THR H . . 4.520 4.316 4.244 4.382 . 0 0 "[ . 1 . 2]" 1
850 1 64 GLU H 1 64 GLU HB3 . . 3.640 2.795 2.762 2.812 . 0 0 "[ . 1 . 2]" 1
851 1 64 GLU HB3 1 75 PHE QD . . 4.090 3.721 3.546 3.988 . 0 0 "[ . 1 . 2]" 1
852 1 64 GLU HB3 1 75 PHE QE . . 5.010 4.699 4.218 5.002 . 0 0 "[ . 1 . 2]" 1
853 1 64 GLU H 1 64 GLU HB2 . . 3.620 3.593 3.560 3.635 0.015 14 0 "[ . 1 . 2]" 1
854 1 64 GLU HB2 1 75 PHE QD . . 3.850 2.215 1.981 2.635 . 0 0 "[ . 1 . 2]" 1
855 1 64 GLU HB2 1 65 THR H . . 4.090 3.975 3.910 4.051 . 0 0 "[ . 1 . 2]" 1
856 1 64 GLU HB2 1 75 PHE QE . . 4.240 3.717 3.187 4.010 . 0 0 "[ . 1 . 2]" 1
857 1 109 VAL HB 1 110 HIS H . . 4.590 4.213 4.145 4.254 . 0 0 "[ . 1 . 2]" 1
858 1 20 LYS HB3 1 21 VAL H . . 3.890 3.579 3.533 3.642 . 0 0 "[ . 1 . 2]" 1
859 1 20 LYS HB3 1 20 LYS QE . . 4.500 3.401 3.336 3.533 . 0 0 "[ . 1 . 2]" 1
860 1 20 LYS HB2 1 23 GLU HB2 . . 4.070 3.841 3.653 3.998 . 0 0 "[ . 1 . 2]" 1
861 1 20 LYS QG 1 110 HIS HB3 . . 4.780 4.686 4.507 4.786 0.006 17 0 "[ . 1 . 2]" 1
862 1 20 LYS HB2 1 110 HIS HB2 . . 4.550 4.010 3.782 4.241 . 0 0 "[ . 1 . 2]" 1
863 1 20 LYS QD 1 110 HIS HB2 . . 4.770 1.969 1.951 1.987 . 0 0 "[ . 1 . 2]" 1
864 1 12 GLU HB2 1 30 LYS H . . 4.190 3.195 2.562 3.508 . 0 0 "[ . 1 . 2]" 1
865 1 12 GLU HB2 1 30 LYS QD . . 3.800 3.134 1.987 3.817 0.017 19 0 "[ . 1 . 2]" 1
866 1 12 GLU HB3 1 30 LYS QE . . 4.560 2.691 2.150 3.568 . 0 0 "[ . 1 . 2]" 1
867 1 12 GLU HB3 1 29 ALA HA . . 4.870 2.944 2.222 3.272 . 0 0 "[ . 1 . 2]" 1
868 1 12 GLU HB3 1 29 ALA MB . . 5.060 4.398 3.812 4.743 . 0 0 "[ . 1 . 2]" 1
869 1 12 GLU HB3 1 30 LYS QD . . 5.280 3.995 3.221 4.810 . 0 0 "[ . 1 . 2]" 1
870 1 20 LYS HB3 1 112 SER HA . . 4.470 4.453 4.288 4.498 0.028 7 0 "[ . 1 . 2]" 1
871 1 20 LYS HB3 1 23 GLU HB2 . . 3.880 2.626 2.430 2.777 . 0 0 "[ . 1 . 2]" 1
872 1 20 LYS HB2 1 21 VAL H . . 4.180 4.061 4.007 4.120 . 0 0 "[ . 1 . 2]" 1
873 1 21 VAL HA 1 22 GLY H . . 2.820 2.145 2.144 2.148 . 0 0 "[ . 1 . 2]" 1
874 1 21 VAL HA 1 82 ALA H . . 4.990 4.881 4.788 4.951 . 0 0 "[ . 1 . 2]" 1
875 1 21 VAL HA 1 23 GLU H . . 3.980 3.511 3.434 3.552 . 0 0 "[ . 1 . 2]" 1
876 1 21 VAL HA 1 22 GLY HA2 . . 4.640 4.385 4.373 4.397 . 0 0 "[ . 1 . 2]" 1
877 1 21 VAL HA 1 109 VAL MG2 . . 5.320 4.742 4.572 4.832 . 0 0 "[ . 1 . 2]" 1
878 1 12 GLU HB2 1 30 LYS QB . . 3.730 2.447 1.983 3.832 0.102 17 0 "[ . 1 . 2]" 1
879 1 12 GLU HB3 1 30 LYS H . . 4.190 1.960 1.848 2.319 . 0 0 "[ . 1 . 2]" 1
880 1 11 ILE MG 1 12 GLU HB3 . . 4.410 3.703 3.126 4.080 . 0 0 "[ . 1 . 2]" 1
881 1 12 GLU HB3 1 30 LYS QB . . 3.630 2.693 2.168 3.606 . 0 0 "[ . 1 . 2]" 1
882 1 12 GLU HB3 1 28 ILE MG . . 4.150 3.372 2.600 4.156 0.006 12 0 "[ . 1 . 2]" 1
883 1 13 LYS HB2 1 14 PRO HD2 . . 5.500 3.970 2.564 4.559 . 0 0 "[ . 1 . 2]" 1
884 1 13 LYS HB2 1 14 PRO HD3 . . 5.500 4.870 3.907 5.123 . 0 0 "[ . 1 . 2]" 1
885 1 13 LYS HB2 1 13 LYS QE . . 4.720 3.109 1.984 4.400 . 0 0 "[ . 1 . 2]" 1
886 1 13 LYS HB3 1 14 PRO HD2 . . 5.500 2.700 2.151 3.482 . 0 0 "[ . 1 . 2]" 1
887 1 13 LYS HB3 1 14 PRO HD3 . . 5.500 4.013 3.582 4.595 . 0 0 "[ . 1 . 2]" 1
888 1 13 LYS HB3 1 13 LYS QE . . 4.720 3.505 2.151 4.236 . 0 0 "[ . 1 . 2]" 1
889 1 61 GLN HB3 1 62 LEU HG . . 5.500 5.498 5.446 5.526 0.026 8 0 "[ . 1 . 2]" 1
890 1 70 SER HB2 1 71 ARG H . . 4.880 4.009 3.460 4.409 . 0 0 "[ . 1 . 2]" 1
891 1 70 SER HB2 1 72 VAL H . . 5.080 4.274 3.399 4.965 . 0 0 "[ . 1 . 2]" 1
892 1 61 GLN HB2 1 62 LEU H . . 4.500 4.269 4.231 4.325 . 0 0 "[ . 1 . 2]" 1
893 1 70 SER HB2 1 72 VAL HB . . 4.990 3.968 3.128 4.788 . 0 0 "[ . 1 . 2]" 1
894 1 78 GLN QG 1 79 ILE H . . 3.780 3.100 2.667 3.356 . 0 0 "[ . 1 . 2]" 1
895 1 25 ILE H 1 78 GLN QG . . 4.980 4.565 4.081 4.816 . 0 0 "[ . 1 . 2]" 1
896 1 78 GLN HE21 1 78 GLN QG . . 3.190 2.588 2.511 2.655 . 0 0 "[ . 1 . 2]" 1
897 1 77 MET HA 1 78 GLN QG . . 5.500 5.594 5.565 5.618 0.118 20 0 "[ . 1 . 2]" 1
898 1 78 GLN QG 1 80 ILE HA . . 5.060 4.883 4.671 5.028 . 0 0 "[ . 1 . 2]" 1
899 1 78 GLN QG 1 80 ILE HG13 . . 3.570 3.341 3.210 3.429 . 0 0 "[ . 1 . 2]" 1
900 1 78 GLN QG 1 80 ILE MD . . 3.910 3.763 3.665 3.873 . 0 0 "[ . 1 . 2]" 1
901 1 21 VAL HB 1 112 SER HB2 . . 3.860 2.821 2.579 3.151 . 0 0 "[ . 1 . 2]" 1
902 1 21 VAL MG1 1 112 SER HB2 . . 4.170 3.823 3.670 4.011 . 0 0 "[ . 1 . 2]" 1
903 1 21 VAL MG2 1 112 SER HB2 . . 4.690 4.185 3.937 4.532 . 0 0 "[ . 1 . 2]" 1
904 1 112 SER H 1 112 SER HB2 . . 3.810 2.634 2.478 2.829 . 0 0 "[ . 1 . 2]" 1
905 1 21 VAL H 1 112 SER HB2 . . 4.450 3.090 2.856 3.414 . 0 0 "[ . 1 . 2]" 1
906 1 20 LYS QG 1 112 SER HB2 . . 4.070 1.999 1.947 2.168 . 0 0 "[ . 1 . 2]" 1
907 1 112 SER H 1 112 SER HB3 . . 3.810 2.494 2.291 2.688 . 0 0 "[ . 1 . 2]" 1
908 1 20 LYS QG 1 112 SER HB3 . . 4.070 3.460 3.355 3.545 . 0 0 "[ . 1 . 2]" 1
909 1 21 VAL MG1 1 112 SER HB3 . . 4.170 3.541 3.273 3.778 . 0 0 "[ . 1 . 2]" 1
910 1 21 VAL H 1 112 SER HB3 . . 4.450 4.357 4.208 4.457 0.007 4 0 "[ . 1 . 2]" 1
911 1 21 VAL MG2 1 112 SER HB3 . . 4.690 4.539 4.393 4.688 . 0 0 "[ . 1 . 2]" 1
912 1 39 LYS HB2 1 39 LYS HE2 . . 4.310 3.212 2.471 4.319 0.009 13 0 "[ . 1 . 2]" 1
913 1 39 LYS HB2 1 39 LYS HE3 . . 4.310 3.004 2.080 4.330 0.020 17 0 "[ . 1 . 2]" 1
914 1 39 LYS HB2 1 40 PRO HD2 . . 4.540 3.884 3.606 4.447 . 0 0 "[ . 1 . 2]" 1
915 1 39 LYS HB3 1 73 TYR QE . . 4.820 4.505 3.563 4.849 0.029 14 0 "[ . 1 . 2]" 1
916 1 39 LYS HB3 1 40 PRO HD2 . . 4.540 4.294 3.304 4.517 . 0 0 "[ . 1 . 2]" 1
917 1 46 LYS QD 1 50 MET HB3 . . 5.300 4.124 2.964 4.998 . 0 0 "[ . 1 . 2]" 1
918 1 46 LYS HB2 1 50 MET HB3 . . 4.680 4.127 3.598 4.681 0.001 17 0 "[ . 1 . 2]" 1
919 1 46 LYS H 1 50 MET HB2 . . 5.100 4.774 3.878 5.112 0.012 5 0 "[ . 1 . 2]" 1
920 1 54 SER HB2 1 55 LYS QG . . 5.150 4.582 3.326 5.129 . 0 0 "[ . 1 . 2]" 1
921 1 54 SER H 1 54 SER HB2 . . 3.810 2.884 2.492 3.567 . 0 0 "[ . 1 . 2]" 1
922 1 53 ALA MB 1 54 SER HB2 . . 4.670 4.223 3.802 4.756 0.086 4 0 "[ . 1 . 2]" 1
923 1 53 ALA MB 1 54 SER HB3 . . 4.670 4.418 3.552 4.736 0.066 1 0 "[ . 1 . 2]" 1
924 1 54 SER HB3 1 55 LYS QG . . 5.150 3.957 3.210 5.155 0.005 10 0 "[ . 1 . 2]" 1
925 1 27 PHE QB 1 77 MET HB3 . . 4.450 2.551 2.314 2.774 . 0 0 "[ . 1 . 2]" 1
926 1 77 MET HB3 1 77 MET ME . . 4.380 2.308 1.994 2.689 . 0 0 "[ . 1 . 2]" 1
927 1 62 LEU MD2 1 77 MET HB3 . . 4.370 4.028 3.822 4.200 . 0 0 "[ . 1 . 2]" 1
928 1 48 LYS HB3 1 48 LYS QD . . 3.710 2.495 2.083 3.302 . 0 0 "[ . 1 . 2]" 1
929 1 108 GLU H 1 108 GLU HB3 . . 3.660 3.587 3.527 3.685 0.025 6 0 "[ . 1 . 2]" 1
930 1 108 GLU HB3 1 110 HIS HD2 . . 4.100 2.938 2.840 3.028 . 0 0 "[ . 1 . 2]" 1
931 1 18 THR HB 1 108 GLU HB3 . . 4.920 4.656 4.429 4.819 . 0 0 "[ . 1 . 2]" 1
932 1 18 THR MG 1 108 GLU HB3 . . 3.700 2.044 1.890 2.266 . 0 0 "[ . 1 . 2]" 1
933 1 108 GLU HB3 1 109 VAL MG2 . . 4.630 4.583 4.475 4.647 0.017 6 0 "[ . 1 . 2]" 1
934 1 108 GLU H 1 108 GLU HB2 . . 3.610 2.394 2.311 2.593 . 0 0 "[ . 1 . 2]" 1
935 1 108 GLU HB2 1 109 VAL H . . 4.810 4.074 3.930 4.188 . 0 0 "[ . 1 . 2]" 1
936 1 108 GLU HB2 1 110 HIS HD2 . . 4.760 4.457 4.213 4.666 . 0 0 "[ . 1 . 2]" 1
937 1 108 GLU HB2 1 109 VAL MG2 . . 5.090 5.007 4.841 5.072 . 0 0 "[ . 1 . 2]" 1
938 1 77 MET H 1 77 MET HG3 . . 5.140 4.756 4.622 5.060 . 0 0 "[ . 1 . 2]" 1
939 1 27 PHE QD 1 77 MET HG3 . . 4.720 4.304 4.037 4.574 . 0 0 "[ . 1 . 2]" 1
940 1 77 MET HG3 1 79 ILE HG12 . . 5.030 3.810 3.331 4.727 . 0 0 "[ . 1 . 2]" 1
941 1 27 PHE QD 1 77 MET HG2 . . 4.810 3.277 2.505 4.616 . 0 0 "[ . 1 . 2]" 1
942 1 117 PRO HA 1 118 ASN H . . 3.170 2.341 2.151 2.569 . 0 0 "[ . 1 . 2]" 1
943 1 21 VAL HB 1 22 GLY H . . 4.370 4.338 4.290 4.380 0.010 11 0 "[ . 1 . 2]" 1
944 1 21 VAL HB 1 112 SER HA . . 4.700 4.242 4.152 4.359 . 0 0 "[ . 1 . 2]" 1
945 1 21 VAL HB 1 109 VAL MG1 . . 4.330 4.097 3.973 4.154 . 0 0 "[ . 1 . 2]" 1
946 1 62 LEU MD1 1 77 MET HG3 . . 4.640 4.486 4.211 4.641 0.001 6 0 "[ . 1 . 2]" 1
947 1 60 LEU MD2 1 77 MET HG3 . . 4.690 4.073 3.866 4.413 . 0 0 "[ . 1 . 2]" 1
948 1 77 MET HG3 1 79 ILE MD . . 5.300 4.155 3.966 4.434 . 0 0 "[ . 1 . 2]" 1
949 1 60 LEU MD1 1 77 MET HG3 . . 4.690 2.781 2.332 3.533 . 0 0 "[ . 1 . 2]" 1
950 1 60 LEU MD1 1 77 MET HG2 . . 4.930 2.809 2.620 3.101 . 0 0 "[ . 1 . 2]" 1
951 1 60 LEU MD2 1 77 MET HG2 . . 4.930 4.548 3.233 4.921 . 0 0 "[ . 1 . 2]" 1
952 1 77 MET HG2 1 79 ILE MD . . 5.260 3.344 2.843 4.520 . 0 0 "[ . 1 . 2]" 1
953 1 62 LEU MD2 1 77 MET HG2 . . 3.680 3.035 1.792 3.551 . 0 0 "[ . 1 . 2]" 1
954 1 44 TRP HB3 1 52 LEU HB2 . . 4.760 3.179 2.845 3.578 . 0 0 "[ . 1 . 2]" 1
955 1 44 TRP HB3 1 77 MET HG3 . . 5.380 4.706 3.215 5.362 . 0 0 "[ . 1 . 2]" 1
956 1 44 TRP HB2 1 52 LEU HB2 . . 4.360 2.332 2.190 2.465 . 0 0 "[ . 1 . 2]" 1
957 1 39 LYS HA 1 40 PRO HB3 . . 5.080 4.877 4.851 4.925 . 0 0 "[ . 1 . 2]" 1
958 1 38 ARG HB2 1 96 TYR QE . . 3.850 2.754 2.339 3.197 . 0 0 "[ . 1 . 2]" 1
959 1 40 PRO HB2 1 96 TYR QD . . 4.030 3.952 3.634 4.038 0.008 5 0 "[ . 1 . 2]" 1
960 1 40 PRO HB2 1 75 PHE HZ . . 4.640 3.536 3.055 3.845 . 0 0 "[ . 1 . 2]" 1
961 1 40 PRO HB2 1 96 TYR QB . . 4.190 3.720 3.144 4.199 0.009 15 0 "[ . 1 . 2]" 1
962 1 38 ARG HB3 1 96 TYR QE . . 3.850 3.043 2.301 3.516 . 0 0 "[ . 1 . 2]" 1
963 1 40 PRO HB3 1 41 THR H . . 4.540 3.801 3.381 4.308 . 0 0 "[ . 1 . 2]" 1
964 1 40 PRO HB3 1 75 PHE QE . . 5.290 5.018 4.425 5.294 0.004 4 0 "[ . 1 . 2]" 1
965 1 40 PRO HB3 1 96 TYR QB . . 4.230 2.537 2.036 3.031 . 0 0 "[ . 1 . 2]" 1
966 1 14 PRO HB3 1 28 ILE H . . 4.110 3.616 2.859 3.974 . 0 0 "[ . 1 . 2]" 1
967 1 14 PRO HB3 1 27 PHE QD . . 4.460 4.093 3.654 4.397 . 0 0 "[ . 1 . 2]" 1
968 1 14 PRO HB3 1 44 TRP HH2 . . 4.560 3.105 2.188 3.666 . 0 0 "[ . 1 . 2]" 1
969 1 15 GLN HB2 1 16 GLY H . . 4.760 4.298 3.896 4.570 . 0 0 "[ . 1 . 2]" 1
970 1 15 GLN H 1 15 GLN HB3 . . 3.780 3.591 3.497 3.641 . 0 0 "[ . 1 . 2]" 1
971 1 14 PRO HB2 1 28 ILE H . . 4.990 4.586 3.948 5.001 0.011 13 0 "[ . 1 . 2]" 1
972 1 14 PRO HB2 1 27 PHE QE . . 5.440 5.074 4.769 5.423 . 0 0 "[ . 1 . 2]" 1
973 1 14 PRO HB2 1 44 TRP HZ3 . . 4.300 3.319 2.765 3.827 . 0 0 "[ . 1 . 2]" 1
974 1 14 PRO HB2 1 27 PHE QB . . 3.640 2.817 2.089 3.410 . 0 0 "[ . 1 . 2]" 1
975 1 14 PRO HB3 1 44 TRP HZ3 . . 4.650 3.410 2.789 4.343 . 0 0 "[ . 1 . 2]" 1
976 1 14 PRO HB3 1 27 PHE QB . . 3.880 2.610 2.351 2.973 . 0 0 "[ . 1 . 2]" 1
977 1 50 MET HG2 1 51 ASP H . . 4.630 3.088 2.753 3.550 . 0 0 "[ . 1 . 2]" 1
978 1 50 MET HA 1 50 MET HG2 . . 3.760 2.561 2.299 2.772 . 0 0 "[ . 1 . 2]" 1
979 1 50 MET ME 1 50 MET HG2 . . 3.850 2.358 1.999 3.205 . 0 0 "[ . 1 . 2]" 1
980 1 50 MET HG3 1 51 ASP H . . 4.630 4.061 3.488 4.620 . 0 0 "[ . 1 . 2]" 1
981 1 50 MET HA 1 50 MET HG3 . . 3.760 2.795 2.418 3.672 . 0 0 "[ . 1 . 2]" 1
982 1 50 MET ME 1 50 MET HG3 . . 3.850 3.051 2.174 3.318 . 0 0 "[ . 1 . 2]" 1
983 1 72 VAL HA 1 73 TYR H . . 3.160 2.175 2.156 2.206 . 0 0 "[ . 1 . 2]" 1
984 1 33 ALA H 1 72 VAL HA . . 4.000 2.635 2.424 2.799 . 0 0 "[ . 1 . 2]" 1
985 1 32 LYS HG3 1 72 VAL HA . . 5.270 5.182 4.959 5.279 0.009 15 0 "[ . 1 . 2]" 1
986 1 11 ILE HA 1 11 ILE MD . . 4.480 2.566 1.957 3.803 . 0 0 "[ . 1 . 2]" 1
987 1 113 THR HA 1 113 THR MG . . 2.900 2.391 2.098 3.189 0.289 9 0 "[ . 1 . 2]" 1
988 1 34 GLU H 1 34 GLU HB3 . . 3.850 3.780 3.669 3.865 0.015 5 0 "[ . 1 . 2]" 1
989 1 34 GLU H 1 34 GLU HB2 . . 3.380 2.671 2.466 2.831 . 0 0 "[ . 1 . 2]" 1
990 1 67 GLU HB2 1 68 ARG H . . 4.580 4.570 4.454 4.603 0.023 14 0 "[ . 1 . 2]" 1
991 1 23 GLU H 1 23 GLU HB3 . . 3.900 3.476 3.447 3.528 . 0 0 "[ . 1 . 2]" 1
992 1 111 GLU H 1 111 GLU HB3 . . 3.650 3.586 3.577 3.594 . 0 0 "[ . 1 . 2]" 1
993 1 21 VAL MG2 1 111 GLU HB3 . . 4.270 4.121 3.930 4.252 . 0 0 "[ . 1 . 2]" 1
994 1 67 GLU H 1 67 GLU HB3 . . 3.800 3.662 3.604 3.765 . 0 0 "[ . 1 . 2]" 1
995 1 110 HIS HB3 1 111 GLU HB2 . . 4.790 4.670 4.567 4.760 . 0 0 "[ . 1 . 2]" 1
996 1 111 GLU HB2 1 111 GLU HG3 . . 3.010 2.306 2.275 2.374 . 0 0 "[ . 1 . 2]" 1
997 1 20 LYS QD 1 111 GLU HB2 . . 4.880 4.512 4.436 4.578 . 0 0 "[ . 1 . 2]" 1
998 1 21 VAL MG2 1 111 GLU HB2 . . 4.780 4.628 4.528 4.716 . 0 0 "[ . 1 . 2]" 1
999 1 61 GLN H 1 78 GLN HB3 . . 4.010 3.386 2.947 3.599 . 0 0 "[ . 1 . 2]" 1
1000 1 77 MET HA 1 78 GLN HB3 . . 5.230 5.122 5.104 5.133 . 0 0 "[ . 1 . 2]" 1
1001 1 26 THR MG 1 78 GLN HB3 . . 4.950 4.444 4.227 4.642 . 0 0 "[ . 1 . 2]" 1
1002 1 78 GLN HB3 1 80 ILE MD . . 3.860 3.032 2.914 3.269 . 0 0 "[ . 1 . 2]" 1
1003 1 61 GLN H 1 78 GLN HB2 . . 4.930 4.655 4.325 4.845 . 0 0 "[ . 1 . 2]" 1
1004 1 26 THR MG 1 78 GLN HB2 . . 4.260 3.240 3.022 3.466 . 0 0 "[ . 1 . 2]" 1
1005 1 78 GLN HB2 1 80 ILE MD . . 4.890 4.587 4.489 4.739 . 0 0 "[ . 1 . 2]" 1
1006 1 115 THR HA 1 115 THR MG . . 3.240 2.696 2.198 3.205 . 0 0 "[ . 1 . 2]" 1
1007 1 103 CYS QB 1 104 SER H . . 3.740 2.915 2.064 3.751 0.011 4 0 "[ . 1 . 2]" 1
1008 1 23 GLU HB3 1 24 ASP H . . 3.570 2.034 1.978 2.168 . 0 0 "[ . 1 . 2]" 1
1009 1 20 LYS HB2 1 23 GLU HB3 . . 4.980 4.859 4.661 4.989 0.009 15 0 "[ . 1 . 2]" 1
1010 1 19 VAL MG2 1 23 GLU HB3 . . 3.970 2.332 2.245 2.460 . 0 0 "[ . 1 . 2]" 1
1011 1 23 GLU HB2 1 24 ASP H . . 3.640 3.544 3.488 3.636 . 0 0 "[ . 1 . 2]" 1
1012 1 81 LYS H 1 81 LYS HB2 . . 4.150 3.569 3.492 3.637 . 0 0 "[ . 1 . 2]" 1
1013 1 59 HIS HE1 1 81 LYS HB2 . . 4.450 3.825 2.858 4.128 . 0 0 "[ . 1 . 2]" 1
1014 1 80 ILE MG 1 81 LYS HB2 . . 3.860 3.736 3.578 3.863 0.003 8 0 "[ . 1 . 2]" 1
1015 1 59 HIS HE1 1 81 LYS HB3 . . 4.520 3.905 2.492 4.409 . 0 0 "[ . 1 . 2]" 1
1016 1 80 ILE MG 1 81 LYS HB3 . . 4.610 4.541 4.478 4.614 0.004 14 0 "[ . 1 . 2]" 1
1017 1 81 LYS H 1 81 LYS HB3 . . 4.200 4.014 3.954 4.068 . 0 0 "[ . 1 . 2]" 1
1018 1 65 THR HA 1 66 PHE H . . 3.010 2.367 2.250 2.441 . 0 0 "[ . 1 . 2]" 1
1019 1 64 GLU HA 1 65 THR HA . . 4.510 4.417 4.405 4.431 . 0 0 "[ . 1 . 2]" 1
1020 1 65 THR HA 1 66 PHE QB . . 3.970 3.964 3.935 4.003 0.033 1 0 "[ . 1 . 2]" 1
1021 1 65 THR HA 1 65 THR MG . . 3.200 3.196 3.188 3.205 0.005 20 0 "[ . 1 . 2]" 1
1022 1 25 ILE HA 1 26 THR HB . . 4.780 4.742 4.636 4.810 0.030 17 0 "[ . 1 . 2]" 1
1023 1 19 VAL HB 1 25 ILE HA . . 4.740 4.532 4.394 4.684 . 0 0 "[ . 1 . 2]" 1
1024 1 25 ILE HA 1 25 ILE HG13 . . 3.180 2.410 2.293 2.490 . 0 0 "[ . 1 . 2]" 1
1025 1 25 ILE HA 1 25 ILE MG . . 3.500 3.195 3.186 3.201 . 0 0 "[ . 1 . 2]" 1
1026 1 25 ILE HA 1 25 ILE MD . . 3.800 3.657 3.557 3.728 . 0 0 "[ . 1 . 2]" 1
1027 1 25 ILE HA 1 25 ILE HG12 . . 3.510 3.336 3.297 3.375 . 0 0 "[ . 1 . 2]" 1
1028 1 119 ILE HA 1 119 ILE HG12 . . 4.060 2.842 2.625 3.524 . 0 0 "[ . 1 . 2]" 1
1029 1 119 ILE HA 1 119 ILE HG13 . . 4.060 2.892 2.274 3.767 . 0 0 "[ . 1 . 2]" 1
1030 1 119 ILE HA 1 119 ILE MG . . 3.160 2.400 2.296 2.463 . 0 0 "[ . 1 . 2]" 1
1031 1 68 ARG HB3 1 69 HIS H . . 4.760 4.237 4.092 4.327 . 0 0 "[ . 1 . 2]" 1
1032 1 66 PHE QE 1 68 ARG HB3 . . 4.150 2.026 1.987 2.101 . 0 0 "[ . 1 . 2]" 1
1033 1 66 PHE QD 1 68 ARG HB3 . . 4.710 3.971 3.859 4.009 . 0 0 "[ . 1 . 2]" 1
1034 1 67 GLU HA 1 68 ARG HB3 . . 5.140 5.123 5.042 5.174 0.034 20 0 "[ . 1 . 2]" 1
1035 1 36 LEU MD1 1 68 ARG HB3 . . 5.230 3.281 2.708 3.595 . 0 0 "[ . 1 . 2]" 1
1036 1 36 LEU MD2 1 68 ARG HB3 . . 5.230 2.940 2.497 3.443 . 0 0 "[ . 1 . 2]" 1
1037 1 66 PHE QD 1 68 ARG HB2 . . 5.500 5.498 5.413 5.520 0.020 5 0 "[ . 1 . 2]" 1
1038 1 68 ARG H 1 68 ARG HB2 . . 3.620 3.515 3.499 3.561 . 0 0 "[ . 1 . 2]" 1
1039 1 66 PHE QE 1 68 ARG HB2 . . 4.230 3.741 3.672 3.826 . 0 0 "[ . 1 . 2]" 1
1040 1 68 ARG HB2 1 69 HIS HA . . 4.430 4.217 4.070 4.287 . 0 0 "[ . 1 . 2]" 1
1041 1 36 LEU MD1 1 68 ARG HB2 . . 5.230 3.602 3.088 4.119 . 0 0 "[ . 1 . 2]" 1
1042 1 36 LEU MD2 1 68 ARG HB2 . . 5.230 3.488 2.924 3.967 . 0 0 "[ . 1 . 2]" 1
1043 1 11 ILE MG 1 30 LYS QD . . 4.310 3.209 2.320 4.283 . 0 0 "[ . 1 . 2]" 1
1044 1 69 HIS H 1 69 HIS HB2 . . 3.980 2.893 2.666 3.521 . 0 0 "[ . 1 . 2]" 1
1045 1 69 HIS HB2 1 70 SER H . . 4.560 2.613 2.083 3.643 . 0 0 "[ . 1 . 2]" 1
1046 1 69 HIS H 1 69 HIS HB3 . . 3.980 3.497 2.920 3.597 . 0 0 "[ . 1 . 2]" 1
1047 1 69 HIS HB3 1 70 SER H . . 4.560 3.816 3.246 4.307 . 0 0 "[ . 1 . 2]" 1
1048 1 13 LYS H 1 13 LYS QD . . 4.630 4.271 3.797 4.654 0.024 15 0 "[ . 1 . 2]" 1
1049 1 10 PHE QD 1 13 LYS QD . . 4.520 3.370 1.801 4.183 . 0 0 "[ . 1 . 2]" 1
1050 1 13 LYS QD 1 103 CYS QB . . 4.150 3.471 1.994 4.153 0.003 1 0 "[ . 1 . 2]" 1
1051 1 81 LYS H 1 81 LYS HD2 . . 5.480 5.315 5.198 5.448 . 0 0 "[ . 1 . 2]" 1
1052 1 81 LYS HA 1 81 LYS HD2 . . 4.500 4.424 4.338 4.510 0.010 9 0 "[ . 1 . 2]" 1
1053 1 43 LYS QD 1 44 TRP H . . 4.430 3.630 3.393 3.788 . 0 0 "[ . 1 . 2]" 1
1054 1 59 HIS HE1 1 81 LYS HD2 . . 4.720 2.353 1.998 2.537 . 0 0 "[ . 1 . 2]" 1
1055 1 43 LYS QD 1 45 PHE HZ . . 4.180 4.032 3.610 4.190 0.010 13 0 "[ . 1 . 2]" 1
1056 1 43 LYS HA 1 43 LYS QD . . 3.550 2.398 2.289 2.476 . 0 0 "[ . 1 . 2]" 1
1057 1 41 THR MG 1 43 LYS QD . . 4.340 4.045 3.678 4.313 . 0 0 "[ . 1 . 2]" 1
1058 1 11 ILE MG 1 32 LYS HD2 . . 4.880 4.014 3.204 4.510 . 0 0 "[ . 1 . 2]" 1
1059 1 11 ILE MD 1 32 LYS HD2 . . 3.580 2.710 1.853 3.571 . 0 0 "[ . 1 . 2]" 1
1060 1 11 ILE MG 1 32 LYS HD3 . . 4.880 4.526 3.924 4.845 . 0 0 "[ . 1 . 2]" 1
1061 1 11 ILE MD 1 32 LYS HD3 . . 3.580 2.369 1.937 3.040 . 0 0 "[ . 1 . 2]" 1
1062 1 20 LYS H 1 20 LYS QD . . 4.250 4.174 4.096 4.295 0.045 14 0 "[ . 1 . 2]" 1
1063 1 20 LYS QD 1 110 HIS HB3 . . 4.530 2.648 2.423 2.791 . 0 0 "[ . 1 . 2]" 1
1064 1 81 LYS H 1 81 LYS HD3 . . 5.480 5.128 5.000 5.223 . 0 0 "[ . 1 . 2]" 1
1065 1 81 LYS HA 1 81 LYS HD3 . . 4.500 3.938 3.858 4.061 . 0 0 "[ . 1 . 2]" 1
1066 1 39 LYS QD 1 73 TYR QD . . 4.840 3.862 2.756 4.819 . 0 0 "[ . 1 . 2]" 1
1067 1 39 LYS QD 1 73 TYR QE . . 4.020 2.958 1.826 3.884 . 0 0 "[ . 1 . 2]" 1
1068 1 39 LYS HA 1 39 LYS QD . . 4.310 4.017 3.041 4.318 0.008 1 0 "[ . 1 . 2]" 1
1069 1 63 LYS H 1 63 LYS QD . . 4.940 4.570 4.224 4.925 . 0 0 "[ . 1 . 2]" 1
1070 1 63 LYS QD 1 78 GLN HE21 . . 4.100 3.097 2.807 3.489 . 0 0 "[ . 1 . 2]" 1
1071 1 63 LYS QD 1 78 GLN HE22 . . 3.910 3.707 3.370 3.925 0.015 17 0 "[ . 1 . 2]" 1
1072 1 42 ILE HG13 1 43 LYS H . . 4.650 2.475 1.906 2.937 . 0 0 "[ . 1 . 2]" 1
1073 1 42 ILE HG13 1 44 TRP HD1 . . 5.500 5.280 4.898 5.505 0.005 15 0 "[ . 1 . 2]" 1
1074 1 42 ILE HG12 1 43 LYS H . . 4.650 3.082 2.522 3.534 . 0 0 "[ . 1 . 2]" 1
1075 1 41 THR HA 1 75 PHE HZ . . 4.890 4.607 3.989 4.893 0.003 4 0 "[ . 1 . 2]" 1
1076 1 41 THR HA 1 42 ILE H . . 2.840 2.192 2.157 2.235 . 0 0 "[ . 1 . 2]" 1
1077 1 41 THR HA 1 75 PHE QE . . 4.940 4.447 3.595 4.913 . 0 0 "[ . 1 . 2]" 1
1078 1 40 PRO HA 1 41 THR HA . . 4.720 4.428 4.383 4.486 . 0 0 "[ . 1 . 2]" 1
1079 1 41 THR HA 1 42 ILE HA . . 4.550 4.394 4.381 4.413 . 0 0 "[ . 1 . 2]" 1
1080 1 58 LYS H 1 58 LYS QD . . 5.120 4.786 4.318 5.081 . 0 0 "[ . 1 . 2]" 1
1081 1 58 LYS HA 1 58 LYS QD . . 3.980 3.829 2.395 4.230 0.250 6 0 "[ . 1 . 2]" 1
1082 1 97 LYS HB2 1 98 ASP H . . 3.910 2.249 1.887 2.615 . 0 0 "[ . 1 . 2]" 1
1083 1 79 ILE HA 1 80 ILE H . . 2.990 2.156 2.140 2.190 . 0 0 "[ . 1 . 2]" 1
1084 1 77 MET HG2 1 79 ILE HA . . 5.450 4.853 4.535 5.475 0.025 3 0 "[ . 1 . 2]" 1
1085 1 83 LYS HD2 1 86 PHE QE . . 3.970 2.015 1.984 2.096 . 0 0 "[ . 1 . 2]" 1
1086 1 83 LYS HD2 1 86 PHE HZ . . 4.190 4.054 3.899 4.195 0.005 1 0 "[ . 1 . 2]" 1
1087 1 83 LYS HB3 1 83 LYS HD2 . . 3.750 3.039 2.885 3.198 . 0 0 "[ . 1 . 2]" 1
1088 1 83 LYS HA 1 83 LYS HD3 . . 4.910 4.592 4.496 4.687 . 0 0 "[ . 1 . 2]" 1
1089 1 83 LYS HD3 1 86 PHE QE . . 4.190 3.635 3.513 3.743 . 0 0 "[ . 1 . 2]" 1
1090 1 83 LYS HD3 1 86 PHE HZ . . 5.410 5.390 5.263 5.439 0.029 14 0 "[ . 1 . 2]" 1
1091 1 83 LYS HB3 1 83 LYS HD3 . . 3.800 2.750 2.600 2.874 . 0 0 "[ . 1 . 2]" 1
1092 1 60 LEU HB2 1 79 ILE HA . . 4.320 3.603 3.093 3.707 . 0 0 "[ . 1 . 2]" 1
1093 1 79 ILE HA 1 79 ILE MD . . 3.660 3.545 3.509 3.587 . 0 0 "[ . 1 . 2]" 1
1094 1 60 LEU HG 1 79 ILE HA . . 4.890 4.111 2.933 4.240 . 0 0 "[ . 1 . 2]" 1
1095 1 83 LYS H 1 83 LYS HD2 . . 5.010 3.868 3.742 4.000 . 0 0 "[ . 1 . 2]" 1
1096 1 83 LYS HA 1 83 LYS HD2 . . 4.740 4.688 4.608 4.752 0.012 14 0 "[ . 1 . 2]" 1
1097 1 83 LYS HB2 1 83 LYS HD2 . . 3.500 2.285 2.198 2.401 . 0 0 "[ . 1 . 2]" 1
1098 1 48 LYS H 1 48 LYS QD . . 5.440 4.578 4.321 5.030 . 0 0 "[ . 1 . 2]" 1
1099 1 48 LYS QD 1 49 TRP H . . 5.500 4.312 3.360 5.117 . 0 0 "[ . 1 . 2]" 1
1100 1 48 LYS QD 1 49 TRP HZ2 . . 4.370 3.383 2.603 4.395 0.025 7 0 "[ . 1 . 2]" 1
1101 1 48 LYS QD 1 49 TRP HD1 . . 4.490 3.632 2.991 4.546 0.056 7 0 "[ . 1 . 2]" 1
1102 1 48 LYS HB2 1 48 LYS QD . . 3.710 2.745 2.142 3.306 . 0 0 "[ . 1 . 2]" 1
1103 1 53 ALA H 1 54 SER HA . . 5.500 5.496 5.406 5.555 0.055 15 0 "[ . 1 . 2]" 1
1104 1 91 ARG H 1 91 ARG HG2 . . 5.010 4.626 4.356 4.945 . 0 0 "[ . 1 . 2]" 1
1105 1 46 LYS QD 1 90 TYR QE . . 4.400 3.255 2.380 4.244 . 0 0 "[ . 1 . 2]" 1
1106 1 46 LYS HA 1 46 LYS QD . . 4.350 2.796 1.981 3.983 . 0 0 "[ . 1 . 2]" 1
1107 1 46 LYS QD 1 50 MET ME . . 4.360 2.972 1.963 4.120 . 0 0 "[ . 1 . 2]" 1
1108 1 54 SER HA 1 56 ALA H . . 4.300 4.041 3.817 4.204 . 0 0 "[ . 1 . 2]" 1
1109 1 54 SER HA 1 56 ALA MB . . 4.710 4.476 4.227 4.697 . 0 0 "[ . 1 . 2]" 1
1110 1 68 ARG HG2 1 69 HIS HA . . 4.820 4.204 3.973 4.356 . 0 0 "[ . 1 . 2]" 1
1111 1 69 HIS HA 1 71 ARG H . . 4.590 4.375 4.298 4.472 . 0 0 "[ . 1 . 2]" 1
1112 1 66 PHE HZ 1 71 ARG QG . . 4.320 3.388 2.877 3.972 . 0 0 "[ . 1 . 2]" 1
1113 1 66 PHE QE 1 71 ARG QG . . 4.580 4.136 3.789 4.535 . 0 0 "[ . 1 . 2]" 1
1114 1 70 SER HA 1 71 ARG QG . . 5.310 3.909 3.476 4.522 . 0 0 "[ . 1 . 2]" 1
1115 1 80 ILE HA 1 81 LYS H . . 2.870 2.199 2.159 2.254 . 0 0 "[ . 1 . 2]" 1
1116 1 80 ILE HA 1 81 LYS HA . . 4.420 4.388 4.375 4.401 . 0 0 "[ . 1 . 2]" 1
1117 1 80 ILE HA 1 80 ILE HG13 . . 3.610 2.595 2.547 2.658 . 0 0 "[ . 1 . 2]" 1
1118 1 80 ILE HA 1 80 ILE MD . . 3.760 3.603 3.580 3.638 . 0 0 "[ . 1 . 2]" 1
1119 1 24 ASP HB2 1 80 ILE HA . . 4.420 3.246 2.545 4.303 . 0 0 "[ . 1 . 2]" 1
1120 1 71 ARG QG 1 72 VAL H . . 4.660 4.522 4.499 4.563 . 0 0 "[ . 1 . 2]" 1
1121 1 25 ILE HG13 1 27 PHE QE . . 5.090 4.850 4.504 5.048 . 0 0 "[ . 1 . 2]" 1
1122 1 25 ILE HG12 1 27 PHE HZ . . 5.400 3.762 3.610 3.958 . 0 0 "[ . 1 . 2]" 1
1123 1 48 LYS HA 1 48 LYS QD . . 4.150 3.437 2.261 4.103 . 0 0 "[ . 1 . 2]" 1
1124 1 14 PRO QG 1 44 TRP HZ3 . . 4.640 3.097 2.578 3.761 . 0 0 "[ . 1 . 2]" 1
1125 1 14 PRO QG 1 44 TRP HH2 . . 4.530 3.453 2.883 4.115 . 0 0 "[ . 1 . 2]" 1
1126 1 13 LYS HA 1 14 PRO QG . . 4.720 3.855 3.766 3.963 . 0 0 "[ . 1 . 2]" 1
1127 1 28 ILE HG12 1 29 ALA H . . 5.060 4.960 4.863 5.080 0.020 12 0 "[ . 1 . 2]" 1
1128 1 28 ILE H 1 28 ILE HG12 . . 3.790 2.827 2.656 2.930 . 0 0 "[ . 1 . 2]" 1
1129 1 28 ILE HG12 1 76 GLU HA . . 5.500 5.478 5.329 5.515 0.015 9 0 "[ . 1 . 2]" 1
1130 1 28 ILE HA 1 28 ILE HG12 . . 3.630 2.975 2.878 3.121 . 0 0 "[ . 1 . 2]" 1
1131 1 27 PHE HA 1 28 ILE HG12 . . 4.240 3.720 3.594 3.874 . 0 0 "[ . 1 . 2]" 1
1132 1 28 ILE HG12 1 76 GLU QG . . 4.270 4.207 4.010 4.287 0.017 1 0 "[ . 1 . 2]" 1
1133 1 19 VAL MG2 1 25 ILE HG13 . . 4.570 4.391 4.279 4.538 . 0 0 "[ . 1 . 2]" 1
1134 1 28 ILE HG13 1 29 ALA H . . 5.330 5.173 5.003 5.342 0.012 4 0 "[ . 1 . 2]" 1
1135 1 28 ILE H 1 28 ILE HG13 . . 4.190 4.099 3.894 4.203 0.013 12 0 "[ . 1 . 2]" 1
1136 1 27 PHE HA 1 28 ILE HG13 . . 5.500 5.399 5.300 5.486 . 0 0 "[ . 1 . 2]" 1
1137 1 68 ARG HA 1 71 ARG H . . 3.790 2.831 2.700 3.084 . 0 0 "[ . 1 . 2]" 1
1138 1 66 PHE HZ 1 68 ARG HA . . 3.630 2.403 2.185 2.618 . 0 0 "[ . 1 . 2]" 1
1139 1 66 PHE QE 1 68 ARG HA . . 3.380 2.960 2.720 3.160 . 0 0 "[ . 1 . 2]" 1
1140 1 66 PHE QD 1 68 ARG HA . . 4.680 4.393 4.280 4.486 . 0 0 "[ . 1 . 2]" 1
1141 1 67 GLU HA 1 68 ARG HA . . 4.490 4.486 4.432 4.520 0.030 13 0 "[ . 1 . 2]" 1
1142 1 68 ARG HA 1 71 ARG HA . . 3.810 2.613 2.476 2.770 . 0 0 "[ . 1 . 2]" 1
1143 1 68 ARG HA 1 68 ARG HG2 . . 3.750 3.590 3.562 3.613 . 0 0 "[ . 1 . 2]" 1
1144 1 55 LYS HA 1 55 LYS HD3 . . 3.460 2.468 2.134 3.491 0.031 14 0 "[ . 1 . 2]" 1
1145 1 52 LEU HA 1 55 LYS HD2 . . 4.910 4.761 4.524 4.916 0.006 7 0 "[ . 1 . 2]" 1
1146 1 79 ILE H 1 79 ILE HG13 . . 3.880 2.893 2.713 3.185 . 0 0 "[ . 1 . 2]" 1
1147 1 27 PHE QE 1 79 ILE HG13 . . 4.090 2.385 2.085 2.750 . 0 0 "[ . 1 . 2]" 1
1148 1 27 PHE QD 1 79 ILE HG13 . . 4.670 3.439 3.180 3.645 . 0 0 "[ . 1 . 2]" 1
1149 1 79 ILE HA 1 79 ILE HG13 . . 3.780 3.393 3.354 3.430 . 0 0 "[ . 1 . 2]" 1
1150 1 79 ILE HG13 1 80 ILE H . . 5.500 5.418 5.363 5.465 . 0 0 "[ . 1 . 2]" 1
1151 1 60 LEU HG 1 61 GLN H . . 4.450 2.331 2.164 2.380 . 0 0 "[ . 1 . 2]" 1
1152 1 60 LEU H 1 60 LEU HG . . 5.080 4.349 4.256 4.586 . 0 0 "[ . 1 . 2]" 1
1153 1 56 ALA HA 1 60 LEU HG . . 4.080 2.950 2.692 4.089 0.009 8 0 "[ . 1 . 2]" 1
1154 1 59 HIS HA 1 80 ILE HG13 . . 5.400 5.357 5.203 5.418 0.018 8 0 "[ . 1 . 2]" 1
1155 1 79 ILE H 1 79 ILE HG12 . . 4.080 3.424 3.265 3.634 . 0 0 "[ . 1 . 2]" 1
1156 1 79 ILE HG12 1 80 ILE H . . 4.690 4.480 4.436 4.542 . 0 0 "[ . 1 . 2]" 1
1157 1 27 PHE QE 1 79 ILE HG12 . . 4.390 3.889 3.537 4.251 . 0 0 "[ . 1 . 2]" 1
1158 1 79 ILE HA 1 79 ILE HG12 . . 3.700 2.356 2.320 2.394 . 0 0 "[ . 1 . 2]" 1
1159 1 61 GLN H 1 79 ILE HG12 . . 4.920 4.106 4.009 4.319 . 0 0 "[ . 1 . 2]" 1
1160 1 27 PHE HZ 1 107 LEU HG . . 4.670 2.402 2.097 4.342 . 0 0 "[ . 1 . 2]" 1
1161 1 60 LEU HA 1 60 LEU HG . . 3.690 2.967 2.628 3.047 . 0 0 "[ . 1 . 2]" 1
1162 1 80 ILE HG13 1 81 LYS H . . 4.800 4.634 4.587 4.712 . 0 0 "[ . 1 . 2]" 1
1163 1 80 ILE H 1 80 ILE HG13 . . 3.860 2.697 2.518 2.862 . 0 0 "[ . 1 . 2]" 1
1164 1 60 LEU HA 1 80 ILE HG13 . . 4.800 4.408 4.082 4.501 . 0 0 "[ . 1 . 2]" 1
1165 1 78 GLN HB3 1 80 ILE HG13 . . 4.080 3.921 3.774 4.034 . 0 0 "[ . 1 . 2]" 1
1166 1 61 GLN HB2 1 80 ILE HG13 . . 4.740 4.385 4.072 4.526 . 0 0 "[ . 1 . 2]" 1
1167 1 80 ILE HG12 1 81 LYS H . . 5.300 5.139 5.014 5.258 . 0 0 "[ . 1 . 2]" 1
1168 1 80 ILE H 1 80 ILE HG12 . . 4.140 3.811 3.667 3.958 . 0 0 "[ . 1 . 2]" 1
1169 1 60 LEU HA 1 80 ILE HG12 . . 5.500 5.157 4.903 5.268 . 0 0 "[ . 1 . 2]" 1
1170 1 59 HIS HA 1 80 ILE HG12 . . 5.170 4.950 4.807 5.076 . 0 0 "[ . 1 . 2]" 1
1171 1 80 ILE HA 1 80 ILE HG12 . . 3.630 3.596 3.544 3.649 0.019 3 0 "[ . 1 . 2]" 1
1172 1 78 GLN QG 1 80 ILE HG12 . . 4.530 4.524 4.391 4.554 0.024 10 0 "[ . 1 . 2]" 1
1173 1 78 GLN HB3 1 80 ILE HG12 . . 4.890 4.857 4.706 4.920 0.030 8 0 "[ . 1 . 2]" 1
1174 1 61 GLN HB2 1 80 ILE HG12 . . 5.120 4.579 4.279 4.702 . 0 0 "[ . 1 . 2]" 1
1175 1 58 LYS HA 1 60 LEU H . . 4.500 4.203 3.947 4.519 0.019 8 0 "[ . 1 . 2]" 1
1176 1 58 LYS HA 1 58 LYS HG2 . . 3.740 3.039 2.409 3.871 0.131 3 0 "[ . 1 . 2]" 1
1177 1 58 LYS HA 1 58 LYS HG3 . . 3.740 2.845 2.364 3.752 0.012 13 0 "[ . 1 . 2]" 1
1178 1 62 LEU H 1 62 LEU HG . . 3.630 2.255 2.073 2.341 . 0 0 "[ . 1 . 2]" 1
1179 1 61 GLN HA 1 62 LEU HG . . 4.280 3.641 3.565 3.671 . 0 0 "[ . 1 . 2]" 1
1180 1 19 VAL HA 1 20 LYS H . . 2.860 2.214 2.198 2.233 . 0 0 "[ . 1 . 2]" 1
1181 1 19 VAL HA 1 20 LYS HB2 . . 4.360 4.314 4.283 4.341 . 0 0 "[ . 1 . 2]" 1
1182 1 36 LEU H 1 36 LEU HG . . 3.640 2.416 1.974 2.729 . 0 0 "[ . 1 . 2]" 1
1183 1 35 ASP HA 1 36 LEU HG . . 4.600 3.630 3.425 4.136 . 0 0 "[ . 1 . 2]" 1
1184 1 36 LEU HA 1 36 LEU HG . . 3.830 3.340 3.174 3.522 . 0 0 "[ . 1 . 2]" 1
1185 1 36 LEU H 1 37 LEU HG . . 5.500 4.793 3.007 5.502 0.002 18 0 "[ . 1 . 2]" 1
1186 1 37 LEU H 1 37 LEU HG . . 3.910 2.983 1.902 3.917 0.007 15 0 "[ . 1 . 2]" 1
1187 1 37 LEU HG 1 38 ARG H . . 5.300 4.676 4.006 5.263 . 0 0 "[ . 1 . 2]" 1
1188 1 37 LEU HA 1 37 LEU HG . . 3.930 3.307 2.706 3.751 . 0 0 "[ . 1 . 2]" 1
1189 1 20 LYS QD 1 112 SER HA . . 3.290 2.170 2.010 2.326 . 0 0 "[ . 1 . 2]" 1
1190 1 20 LYS QG 1 112 SER HA . . 3.580 2.130 2.012 2.170 . 0 0 "[ . 1 . 2]" 1
1191 1 9 LEU H 1 9 LEU HG . . 4.760 3.751 2.155 4.690 . 0 0 "[ . 1 . 2]" 1
1192 1 68 ARG HG2 1 69 HIS H . . 4.860 2.310 2.042 2.513 . 0 0 "[ . 1 . 2]" 1
1193 1 66 PHE QE 1 68 ARG HG2 . . 4.370 4.288 4.182 4.381 0.011 14 0 "[ . 1 . 2]" 1
1194 1 66 PHE QD 1 68 ARG HG2 . . 5.150 4.940 4.807 5.059 . 0 0 "[ . 1 . 2]" 1
1195 1 67 GLU HA 1 68 ARG HG2 . . 4.570 3.700 3.582 3.808 . 0 0 "[ . 1 . 2]" 1
1196 1 68 ARG H 1 68 ARG HG3 . . 3.980 3.385 3.340 3.526 . 0 0 "[ . 1 . 2]" 1
1197 1 68 ARG HG3 1 69 HIS HA . . 4.960 4.936 4.673 4.988 0.028 6 0 "[ . 1 . 2]" 1
1198 1 33 ALA H 1 34 GLU HA . . 5.080 4.915 4.800 5.045 . 0 0 "[ . 1 . 2]" 1
1199 1 34 GLU HA 1 71 ARG HD2 . . 4.110 2.493 2.334 2.809 . 0 0 "[ . 1 . 2]" 1
1200 1 34 GLU HA 1 34 GLU HG3 . . 3.250 3.114 2.925 3.200 . 0 0 "[ . 1 . 2]" 1
1201 1 34 GLU HA 1 71 ARG QG . . 4.680 4.426 4.184 4.684 0.004 14 0 "[ . 1 . 2]" 1
1202 1 32 LYS HG3 1 34 GLU HA . . 5.370 5.267 4.995 5.349 . 0 0 "[ . 1 . 2]" 1
1203 1 33 ALA MB 1 34 GLU HA . . 4.490 3.998 3.874 4.165 . 0 0 "[ . 1 . 2]" 1
1204 1 52 LEU H 1 52 LEU HG . . 3.810 2.060 1.902 2.631 . 0 0 "[ . 1 . 2]" 1
1205 1 70 SER HA 1 72 VAL H . . 5.250 4.939 4.685 5.172 . 0 0 "[ . 1 . 2]" 1
1206 1 38 ARG H 1 38 ARG HG2 . . 4.050 2.324 1.893 4.004 . 0 0 "[ . 1 . 2]" 1
1207 1 38 ARG HG2 1 97 LYS HG2 . . 5.200 4.538 3.689 5.173 . 0 0 "[ . 1 . 2]" 1
1208 1 38 ARG H 1 38 ARG HG3 . . 4.050 3.513 3.247 3.709 . 0 0 "[ . 1 . 2]" 1
1209 1 38 ARG HG2 1 97 LYS HE2 . . 5.500 4.846 2.783 5.501 0.001 8 0 "[ . 1 . 2]" 1
1210 1 38 ARG HG2 1 97 LYS HE3 . . 5.500 4.376 1.981 5.674 0.174 5 0 "[ . 1 . 2]" 1
1211 1 38 ARG HG3 1 97 LYS HG2 . . 5.200 3.240 2.084 5.234 0.034 14 0 "[ . 1 . 2]" 1
1212 1 66 PHE HZ 1 71 ARG HA . . 3.910 2.829 2.489 3.191 . 0 0 "[ . 1 . 2]" 1
1213 1 66 PHE QE 1 71 ARG HA . . 3.540 2.656 2.126 3.006 . 0 0 "[ . 1 . 2]" 1
1214 1 66 PHE QD 1 71 ARG HA . . 5.110 4.567 4.162 4.817 . 0 0 "[ . 1 . 2]" 1
1215 1 71 ARG HA 1 71 ARG HD2 . . 4.350 4.224 3.885 4.379 0.029 13 0 "[ . 1 . 2]" 1
1216 1 71 ARG HA 1 71 ARG QG . . 3.390 2.313 2.159 2.462 . 0 0 "[ . 1 . 2]" 1
1217 1 34 GLU HA 1 71 ARG HB2 . . 5.000 3.871 3.229 4.757 . 0 0 "[ . 1 . 2]" 1
1218 1 33 ALA H 1 71 ARG HB3 . . 5.100 4.174 3.780 4.593 . 0 0 "[ . 1 . 2]" 1
1219 1 34 GLU HA 1 71 ARG HB3 . . 5.000 3.192 2.887 3.593 . 0 0 "[ . 1 . 2]" 1
1220 1 40 PRO HG2 1 75 PHE QE . . 3.900 3.191 2.418 3.551 . 0 0 "[ . 1 . 2]" 1
1221 1 40 PRO HG2 1 96 TYR QD . . 5.360 4.701 4.343 4.909 . 0 0 "[ . 1 . 2]" 1
1222 1 40 PRO HG2 1 96 TYR QE . . 5.500 5.174 4.765 5.478 . 0 0 "[ . 1 . 2]" 1
1223 1 40 PRO HG2 1 73 TYR QD . . 4.290 3.507 3.077 3.929 . 0 0 "[ . 1 . 2]" 1
1224 1 40 PRO HG2 1 75 PHE HZ . . 3.640 2.084 1.987 2.279 . 0 0 "[ . 1 . 2]" 1
1225 1 39 LYS HA 1 40 PRO HG2 . . 4.530 4.188 4.138 4.232 . 0 0 "[ . 1 . 2]" 1
1226 1 40 PRO HG3 1 75 PHE QE . . 4.660 4.158 3.510 4.519 . 0 0 "[ . 1 . 2]" 1
1227 1 40 PRO HG3 1 75 PHE HZ . . 4.110 3.681 3.276 3.901 . 0 0 "[ . 1 . 2]" 1
1228 1 39 LYS HA 1 40 PRO HG3 . . 4.430 4.319 4.316 4.335 . 0 0 "[ . 1 . 2]" 1
1229 1 40 PRO HG3 1 96 TYR QB . . 4.600 4.103 3.459 4.610 0.010 4 0 "[ . 1 . 2]" 1
1230 1 84 ASP HA 1 86 PHE H . . 4.110 3.749 3.535 3.861 . 0 0 "[ . 1 . 2]" 1
1231 1 84 ASP HA 1 87 ALA H . . 4.280 3.790 3.602 4.096 . 0 0 "[ . 1 . 2]" 1
1232 1 83 LYS HA 1 84 ASP HA . . 4.350 4.298 4.294 4.306 . 0 0 "[ . 1 . 2]" 1
1233 1 84 ASP HA 1 84 ASP HB2 . . 3.020 2.413 2.285 3.026 0.006 19 0 "[ . 1 . 2]" 1
1234 1 84 ASP HA 1 109 VAL HB . . 3.180 2.501 2.169 2.617 . 0 0 "[ . 1 . 2]" 1
1235 1 84 ASP HA 1 109 VAL MG2 . . 3.340 2.926 2.776 3.011 . 0 0 "[ . 1 . 2]" 1
1236 1 40 PRO HG3 1 73 TYR HB3 . . 5.480 4.779 4.157 5.159 . 0 0 "[ . 1 . 2]" 1
1237 1 52 LEU H 1 52 LEU MD1 . . 3.950 3.563 3.430 3.798 . 0 0 "[ . 1 . 2]" 1
1238 1 46 LYS H 1 52 LEU MD1 . . 4.340 4.204 3.907 4.349 0.009 14 0 "[ . 1 . 2]" 1
1239 1 46 LYS HA 1 52 LEU MD1 . . 4.760 3.909 3.612 4.149 . 0 0 "[ . 1 . 2]" 1
1240 1 52 LEU MD1 1 90 TYR QD . . 4.380 2.346 1.972 2.608 . 0 0 "[ . 1 . 2]" 1
1241 1 52 LEU MD1 1 90 TYR QE . . 4.040 2.065 1.786 2.371 . 0 0 "[ . 1 . 2]" 1
1242 1 44 TRP HB3 1 52 LEU MD1 . . 4.910 2.090 1.901 2.362 . 0 0 "[ . 1 . 2]" 1
1243 1 60 LEU MD1 1 61 GLN H . . 4.000 2.725 2.482 3.943 . 0 0 "[ . 1 . 2]" 1
1244 1 60 LEU HA 1 60 LEU MD1 . . 4.010 2.728 2.568 3.498 . 0 0 "[ . 1 . 2]" 1
1245 1 60 LEU MD1 1 79 ILE HA . . 4.910 2.480 2.348 3.007 . 0 0 "[ . 1 . 2]" 1
1246 1 22 GLY HA2 1 81 LYS HA . . 4.180 2.018 1.992 2.135 . 0 0 "[ . 1 . 2]" 1
1247 1 81 LYS HA 1 82 ALA MB . . 4.430 4.323 4.272 4.356 . 0 0 "[ . 1 . 2]" 1
1248 1 80 ILE MG 1 81 LYS HA . . 4.050 3.901 3.796 4.053 0.003 14 0 "[ . 1 . 2]" 1
1249 1 22 GLY H 1 81 LYS HA . . 4.480 3.310 3.253 3.373 . 0 0 "[ . 1 . 2]" 1
1250 1 81 LYS H 1 81 LYS HG3 . . 3.710 3.229 3.043 3.411 . 0 0 "[ . 1 . 2]" 1
1251 1 22 GLY HA2 1 81 LYS HG3 . . 5.400 4.989 4.815 5.124 . 0 0 "[ . 1 . 2]" 1
1252 1 80 ILE HA 1 81 LYS HG3 . . 4.560 4.394 4.233 4.510 . 0 0 "[ . 1 . 2]" 1
1253 1 81 LYS HA 1 81 LYS HG3 . . 3.760 3.469 3.419 3.530 . 0 0 "[ . 1 . 2]" 1
1254 1 81 LYS QE 1 81 LYS HG3 . . 3.480 2.229 2.109 2.362 . 0 0 "[ . 1 . 2]" 1
1255 1 80 ILE MG 1 81 LYS HG3 . . 3.170 2.204 2.127 2.328 . 0 0 "[ . 1 . 2]" 1
1256 1 80 ILE HA 1 81 LYS HG2 . . 4.920 4.754 4.617 4.878 . 0 0 "[ . 1 . 2]" 1
1257 1 81 LYS H 1 81 LYS HG2 . . 3.680 2.922 2.758 3.036 . 0 0 "[ . 1 . 2]" 1
1258 1 22 GLY HA2 1 81 LYS HG2 . . 4.780 3.565 3.352 3.740 . 0 0 "[ . 1 . 2]" 1
1259 1 81 LYS HA 1 81 LYS HG2 . . 3.500 2.459 2.387 2.523 . 0 0 "[ . 1 . 2]" 1
1260 1 107 LEU H 1 107 LEU MD1 . . 4.490 4.132 3.925 4.464 . 0 0 "[ . 1 . 2]" 1
1261 1 90 TYR QE 1 107 LEU MD1 . . 4.600 3.113 2.622 4.179 . 0 0 "[ . 1 . 2]" 1
1262 1 87 ALA HA 1 107 LEU MD1 . . 4.750 2.399 1.966 4.435 . 0 0 "[ . 1 . 2]" 1
1263 1 107 LEU HB3 1 107 LEU MD1 . . 3.390 2.234 2.082 3.171 . 0 0 "[ . 1 . 2]" 1
1264 1 60 LEU MD2 1 62 LEU H . . 5.250 4.373 2.944 4.526 . 0 0 "[ . 1 . 2]" 1
1265 1 56 ALA HA 1 60 LEU MD2 . . 4.160 2.069 1.877 2.309 . 0 0 "[ . 1 . 2]" 1
1266 1 60 LEU MD2 1 79 ILE HA . . 4.910 4.875 4.456 4.922 0.012 1 0 "[ . 1 . 2]" 1
1267 1 52 LEU HA 1 55 LYS H . . 4.150 2.975 2.769 3.132 . 0 0 "[ . 1 . 2]" 1
1268 1 52 LEU HA 1 55 LYS HB2 . . 4.300 2.252 1.992 2.816 . 0 0 "[ . 1 . 2]" 1
1269 1 52 LEU HA 1 55 LYS HB3 . . 4.300 3.726 3.446 4.220 . 0 0 "[ . 1 . 2]" 1
1270 1 52 LEU HA 1 55 LYS QG . . 3.740 2.224 1.956 2.317 . 0 0 "[ . 1 . 2]" 1
1271 1 52 LEU HA 1 52 LEU MD1 . . 4.010 3.902 3.797 3.952 . 0 0 "[ . 1 . 2]" 1
1272 1 20 LYS H 1 20 LYS QG . . 4.510 4.070 4.066 4.080 . 0 0 "[ . 1 . 2]" 1
1273 1 20 LYS QG 1 113 THR H . . 4.770 4.016 3.412 4.776 0.006 9 0 "[ . 1 . 2]" 1
1274 1 20 LYS QE 1 20 LYS QG . . 3.180 2.524 2.300 2.797 . 0 0 "[ . 1 . 2]" 1
1275 1 20 LYS QG 1 110 HIS HB2 . . 4.330 4.128 4.023 4.147 . 0 0 "[ . 1 . 2]" 1
1276 1 107 LEU MD1 1 108 GLU H . . 4.200 2.814 1.879 4.256 0.056 19 0 "[ . 1 . 2]" 1
1277 1 60 LEU H 1 60 LEU MD2 . . 4.800 4.193 3.876 4.374 . 0 0 "[ . 1 . 2]" 1
1278 1 20 LYS QG 1 110 HIS H . . 4.930 4.701 4.663 4.734 . 0 0 "[ . 1 . 2]" 1
1279 1 20 LYS QG 1 23 GLU HB2 . . 4.400 4.272 4.091 4.400 . 0 0 "[ . 1 . 2]" 1
1280 1 12 GLU HA 1 12 GLU HG2 . . 3.640 3.374 2.174 3.652 0.012 2 0 "[ . 1 . 2]" 1
1281 1 50 MET HA 1 51 ASP H . . 2.970 2.149 2.140 2.177 . 0 0 "[ . 1 . 2]" 1
1282 1 50 MET HA 1 51 ASP HB2 . . 5.050 4.581 4.249 4.792 . 0 0 "[ . 1 . 2]" 1
1283 1 111 GLU HA 1 112 SER H . . 3.080 2.148 2.139 2.158 . 0 0 "[ . 1 . 2]" 1
1284 1 21 VAL H 1 111 GLU HA . . 3.610 3.496 3.459 3.561 . 0 0 "[ . 1 . 2]" 1
1285 1 111 GLU HA 1 112 SER HA . . 4.550 4.366 4.358 4.378 . 0 0 "[ . 1 . 2]" 1
1286 1 111 GLU HA 1 112 SER HB2 . . 5.500 4.559 4.356 4.800 . 0 0 "[ . 1 . 2]" 1
1287 1 111 GLU HA 1 112 SER HB3 . . 5.500 4.622 4.408 4.835 . 0 0 "[ . 1 . 2]" 1
1288 1 111 GLU HA 1 111 GLU HG2 . . 3.370 2.366 2.309 2.455 . 0 0 "[ . 1 . 2]" 1
1289 1 111 GLU HA 1 111 GLU HB3 . . 2.950 2.503 2.462 2.535 . 0 0 "[ . 1 . 2]" 1
1290 1 21 VAL HB 1 111 GLU HA . . 3.390 2.871 2.732 2.998 . 0 0 "[ . 1 . 2]" 1
1291 1 20 LYS QD 1 111 GLU HA . . 4.640 3.787 3.654 3.948 . 0 0 "[ . 1 . 2]" 1
1292 1 20 LYS QG 1 111 GLU HA . . 4.270 4.241 4.184 4.287 0.017 15 0 "[ . 1 . 2]" 1
1293 1 21 VAL MG2 1 111 GLU HA . . 3.030 2.132 1.992 2.260 . 0 0 "[ . 1 . 2]" 1
1294 1 43 LYS HG3 1 44 TRP H . . 4.700 2.880 2.336 2.999 . 0 0 "[ . 1 . 2]" 1
1295 1 43 LYS HG3 1 45 PHE QE . . 4.500 3.159 2.945 3.440 . 0 0 "[ . 1 . 2]" 1
1296 1 43 LYS HG2 1 44 TRP H . . 4.700 4.546 4.045 4.657 . 0 0 "[ . 1 . 2]" 1
1297 1 43 LYS HG2 1 45 PHE QE . . 4.500 2.191 1.996 2.646 . 0 0 "[ . 1 . 2]" 1
1298 1 43 LYS HA 1 43 LYS HG2 . . 3.760 3.727 3.691 3.763 0.003 12 0 "[ . 1 . 2]" 1
1299 1 44 TRP HB3 1 62 LEU MD1 . . 5.370 4.763 4.347 5.197 . 0 0 "[ . 1 . 2]" 1
1300 1 44 TRP HB2 1 62 LEU MD1 . . 4.230 3.387 2.974 3.835 . 0 0 "[ . 1 . 2]" 1
1301 1 36 LEU H 1 36 LEU MD1 . . 4.050 3.847 3.578 4.053 0.003 1 0 "[ . 1 . 2]" 1
1302 1 36 LEU MD1 1 66 PHE HZ . . 3.980 3.813 3.323 3.989 0.009 4 0 "[ . 1 . 2]" 1
1303 1 36 LEU MD1 1 66 PHE QE . . 4.120 3.699 3.285 4.041 . 0 0 "[ . 1 . 2]" 1
1304 1 35 ASP HA 1 36 LEU MD1 . . 5.500 5.055 4.870 5.467 . 0 0 "[ . 1 . 2]" 1
1305 1 36 LEU HA 1 36 LEU MD1 . . 4.100 3.864 3.712 3.933 . 0 0 "[ . 1 . 2]" 1
1306 1 36 LEU MD1 1 68 ARG HA . . 4.520 4.322 3.729 4.524 0.004 17 0 "[ . 1 . 2]" 1
1307 1 44 TRP HE1 1 62 LEU MD1 . . 4.310 3.550 3.147 3.876 . 0 0 "[ . 1 . 2]" 1
1308 1 62 LEU MD1 1 63 LYS H . . 4.880 4.526 4.410 4.730 . 0 0 "[ . 1 . 2]" 1
1309 1 62 LEU H 1 62 LEU MD1 . . 4.750 3.679 3.560 3.748 . 0 0 "[ . 1 . 2]" 1
1310 1 44 TRP HD1 1 62 LEU MD1 . . 3.190 2.310 2.009 2.655 . 0 0 "[ . 1 . 2]" 1
1311 1 62 LEU HA 1 62 LEU MD1 . . 3.970 3.926 3.908 3.965 . 0 0 "[ . 1 . 2]" 1
1312 1 53 ALA HA 1 62 LEU MD1 . . 2.970 2.230 2.045 2.480 . 0 0 "[ . 1 . 2]" 1
1313 1 44 TRP H 1 62 LEU MD1 . . 4.860 3.505 3.288 3.765 . 0 0 "[ . 1 . 2]" 1
1314 1 97 LYS H 1 97 LYS HG2 . . 4.370 2.572 1.870 4.393 0.023 17 0 "[ . 1 . 2]" 1
1315 1 32 LYS HG2 1 33 ALA H . . 4.850 4.581 4.249 4.790 . 0 0 "[ . 1 . 2]" 1
1316 1 32 LYS QE 1 32 LYS HG2 . . 3.430 2.899 2.661 3.051 . 0 0 "[ . 1 . 2]" 1
1317 1 32 LYS HG2 1 34 GLU HG2 . . 5.500 5.175 4.771 5.492 . 0 0 "[ . 1 . 2]" 1
1318 1 32 LYS HG2 1 34 GLU HG3 . . 5.500 5.068 4.598 5.355 . 0 0 "[ . 1 . 2]" 1
1319 1 32 LYS HG3 1 33 ALA H . . 3.880 2.927 2.552 3.156 . 0 0 "[ . 1 . 2]" 1
1320 1 37 LEU H 1 37 LEU MD1 . . 3.520 3.221 1.788 3.521 0.001 17 0 "[ . 1 . 2]" 1
1321 1 63 LYS QG 1 76 GLU H . . 4.810 4.320 4.126 4.478 . 0 0 "[ . 1 . 2]" 1
1322 1 63 LYS QG 1 65 THR H . . 5.500 5.053 4.859 5.276 . 0 0 "[ . 1 . 2]" 1
1323 1 63 LYS QG 1 64 GLU H . . 3.250 2.341 2.200 2.579 . 0 0 "[ . 1 . 2]" 1
1324 1 63 LYS QG 1 78 GLN HE21 . . 4.840 4.715 4.549 4.861 0.021 8 0 "[ . 1 . 2]" 1
1325 1 63 LYS QG 1 78 GLN HE22 . . 5.420 5.338 5.186 5.433 0.013 5 0 "[ . 1 . 2]" 1
1326 1 63 LYS QG 1 75 PHE HA . . 5.480 5.142 4.933 5.303 . 0 0 "[ . 1 . 2]" 1
1327 1 63 LYS QG 1 64 GLU HA . . 4.570 4.237 4.114 4.372 . 0 0 "[ . 1 . 2]" 1
1328 1 10 PHE QD 1 13 LYS HG2 . . 4.810 2.378 1.985 3.851 . 0 0 "[ . 1 . 2]" 1
1329 1 48 LYS HG3 1 49 TRP H . . 5.500 4.602 3.346 5.012 . 0 0 "[ . 1 . 2]" 1
1330 1 37 LEU MD1 1 38 ARG H . . 4.790 4.355 3.842 4.741 . 0 0 "[ . 1 . 2]" 1
1331 1 48 LYS HA 1 48 LYS HG3 . . 3.720 2.947 2.331 3.626 . 0 0 "[ . 1 . 2]" 1
1332 1 48 LYS HG2 1 49 TRP H . . 5.500 4.271 3.364 4.851 . 0 0 "[ . 1 . 2]" 1
1333 1 48 LYS HA 1 48 LYS HG2 . . 3.720 2.773 2.170 3.774 0.054 7 0 "[ . 1 . 2]" 1
1334 1 83 LYS H 1 83 LYS HG2 . . 4.370 3.365 3.187 3.487 . 0 0 "[ . 1 . 2]" 1
1335 1 83 LYS HG3 1 86 PHE HZ . . 4.630 3.709 3.392 3.907 . 0 0 "[ . 1 . 2]" 1
1336 1 83 LYS H 1 83 LYS HG3 . . 4.290 2.014 1.894 2.171 . 0 0 "[ . 1 . 2]" 1
1337 1 36 LEU HA 1 66 PHE HZ . . 4.900 3.448 2.388 3.918 . 0 0 "[ . 1 . 2]" 1
1338 1 58 LYS H 1 58 LYS HG2 . . 4.690 4.135 2.737 4.702 0.012 10 0 "[ . 1 . 2]" 1
1339 1 58 LYS QE 1 58 LYS HG2 . . 3.510 2.817 2.172 3.504 . 0 0 "[ . 1 . 2]" 1
1340 1 83 LYS HG2 1 86 PHE HZ . . 5.500 5.304 4.963 5.485 . 0 0 "[ . 1 . 2]" 1
1341 1 83 LYS HA 1 83 LYS HG3 . . 3.860 3.187 3.091 3.296 . 0 0 "[ . 1 . 2]" 1
1342 1 20 LYS HB3 1 23 GLU HA . . 4.850 4.709 4.604 4.797 . 0 0 "[ . 1 . 2]" 1
1343 1 53 ALA HA 1 55 LYS H . . 4.520 4.296 3.951 4.521 0.001 13 0 "[ . 1 . 2]" 1
1344 1 53 ALA HA 1 56 ALA H . . 4.280 3.756 3.589 3.900 . 0 0 "[ . 1 . 2]" 1
1345 1 46 LYS HA 1 52 LEU MD2 . . 4.760 4.097 3.788 4.464 . 0 0 "[ . 1 . 2]" 1
1346 1 46 LYS HA 1 91 ARG H . . 4.400 3.413 2.931 3.976 . 0 0 "[ . 1 . 2]" 1
1347 1 46 LYS HA 1 47 GLY H . . 3.240 2.277 2.224 2.397 . 0 0 "[ . 1 . 2]" 1
1348 1 46 LYS HA 1 90 TYR QD . . 4.340 4.167 3.860 4.345 0.005 17 0 "[ . 1 . 2]" 1
1349 1 46 LYS HA 1 90 TYR QE . . 5.500 5.018 4.769 5.318 . 0 0 "[ . 1 . 2]" 1
1350 1 46 LYS HA 1 46 LYS HG2 . . 3.750 3.098 2.169 3.838 0.088 1 0 "[ . 1 . 2]" 1
1351 1 46 LYS HA 1 46 LYS HG3 . . 3.750 3.196 2.686 3.533 . 0 0 "[ . 1 . 2]" 1
1352 1 107 LEU H 1 107 LEU MD2 . . 4.490 4.176 4.070 4.328 . 0 0 "[ . 1 . 2]" 1
1353 1 107 LEU MD2 1 108 GLU H . . 4.200 2.075 1.786 3.773 . 0 0 "[ . 1 . 2]" 1
1354 1 90 TYR QE 1 107 LEU MD2 . . 4.600 4.318 2.093 4.575 . 0 0 "[ . 1 . 2]" 1
1355 1 107 LEU HA 1 107 LEU MD2 . . 4.050 2.127 1.881 3.956 . 0 0 "[ . 1 . 2]" 1
1356 1 107 LEU HB3 1 107 LEU MD2 . . 3.390 3.041 2.269 3.191 . 0 0 "[ . 1 . 2]" 1
1357 1 44 TRP HE1 1 62 LEU MD2 . . 3.650 3.426 3.252 3.602 . 0 0 "[ . 1 . 2]" 1
1358 1 62 LEU MD2 1 78 GLN H . . 3.650 3.558 3.179 3.664 0.014 13 0 "[ . 1 . 2]" 1
1359 1 62 LEU MD2 1 63 LYS H . . 3.740 3.741 3.703 3.780 0.040 14 0 "[ . 1 . 2]" 1
1360 1 62 LEU H 1 62 LEU MD2 . . 3.710 3.253 3.113 3.358 . 0 0 "[ . 1 . 2]" 1
1361 1 44 TRP HD1 1 62 LEU MD2 . . 3.080 2.888 2.498 3.082 0.002 4 0 "[ . 1 . 2]" 1
1362 1 62 LEU HA 1 62 LEU MD2 . . 2.880 2.176 2.046 2.419 . 0 0 "[ . 1 . 2]" 1
1363 1 61 GLN HA 1 62 LEU MD2 . . 4.230 4.159 3.992 4.233 0.003 1 0 "[ . 1 . 2]" 1
1364 1 62 LEU MD2 1 77 MET HA . . 2.980 2.617 2.332 2.815 . 0 0 "[ . 1 . 2]" 1
1365 1 53 ALA HA 1 62 LEU MD2 . . 4.160 3.857 3.620 4.080 . 0 0 "[ . 1 . 2]" 1
1366 1 44 TRP HB3 1 62 LEU MD2 . . 4.390 3.992 3.664 4.382 . 0 0 "[ . 1 . 2]" 1
1367 1 44 TRP HB2 1 62 LEU MD2 . . 4.060 3.128 2.842 3.401 . 0 0 "[ . 1 . 2]" 1
1368 1 62 LEU HB2 1 62 LEU MD2 . . 3.220 3.189 3.174 3.195 . 0 0 "[ . 1 . 2]" 1
1369 1 62 LEU MD2 1 77 MET HG3 . . 2.820 2.085 1.812 2.646 . 0 0 "[ . 1 . 2]" 1
1370 1 62 LEU MD2 1 77 MET HB2 . . 3.440 2.962 2.668 3.252 . 0 0 "[ . 1 . 2]" 1
1371 1 43 LYS HA 1 44 TRP H . . 3.060 2.144 2.140 2.192 . 0 0 "[ . 1 . 2]" 1
1372 1 43 LYS HA 1 43 LYS HG3 . . 3.760 2.623 2.548 2.683 . 0 0 "[ . 1 . 2]" 1
1373 1 43 LYS HA 1 44 TRP HD1 . . 4.140 3.325 3.095 3.513 . 0 0 "[ . 1 . 2]" 1
1374 1 42 ILE MG 1 43 LYS HA . . 4.310 3.912 3.708 4.052 . 0 0 "[ . 1 . 2]" 1
1375 1 77 MET HA 1 78 GLN H . . 2.960 2.185 2.163 2.202 . 0 0 "[ . 1 . 2]" 1
1376 1 62 LEU HA 1 77 MET HA . . 3.540 2.200 2.063 2.335 . 0 0 "[ . 1 . 2]" 1
1377 1 77 MET HA 1 78 GLN HB2 . . 4.420 4.349 4.312 4.378 . 0 0 "[ . 1 . 2]" 1
1378 1 77 MET HA 1 77 MET HG3 . . 3.620 2.745 2.412 3.508 . 0 0 "[ . 1 . 2]" 1
1379 1 77 MET HA 1 77 MET HG2 . . 3.640 3.118 2.342 3.465 . 0 0 "[ . 1 . 2]" 1
1380 1 67 GLU HA 1 68 ARG H . . 2.910 2.225 2.164 2.263 . 0 0 "[ . 1 . 2]" 1
1381 1 67 GLU HA 1 68 ARG QD . . 4.100 3.355 3.154 3.669 . 0 0 "[ . 1 . 2]" 1
1382 1 29 ALA H 1 29 ALA MB . . 3.660 2.713 2.620 2.787 . 0 0 "[ . 1 . 2]" 1
1383 1 29 ALA MB 1 30 LYS H . . 4.340 3.317 3.066 3.358 . 0 0 "[ . 1 . 2]" 1
1384 1 29 ALA MB 1 75 PHE QD . . 3.510 3.236 2.591 3.527 0.017 14 0 "[ . 1 . 2]" 1
1385 1 29 ALA MB 1 44 TRP HH2 . . 3.970 2.524 2.123 2.827 . 0 0 "[ . 1 . 2]" 1
1386 1 14 PRO HD2 1 29 ALA MB . . 4.200 3.725 3.237 4.096 . 0 0 "[ . 1 . 2]" 1
1387 1 29 ALA MB 1 75 PHE HB2 . . 3.840 2.728 2.471 2.935 . 0 0 "[ . 1 . 2]" 1
1388 1 10 PHE QE 1 29 ALA MB . . 3.700 2.682 2.053 3.184 . 0 0 "[ . 1 . 2]" 1
1389 1 13 LYS HA 1 29 ALA MB . . 4.420 3.834 3.264 4.455 0.035 17 0 "[ . 1 . 2]" 1
1390 1 29 ALA MB 1 75 PHE HB3 . . 4.260 4.168 3.993 4.260 0.000 7 0 "[ . 1 . 2]" 1
1391 1 14 PRO HB3 1 29 ALA MB . . 3.980 2.966 2.192 3.573 . 0 0 "[ . 1 . 2]" 1
1392 1 29 ALA MB 1 44 TRP HZ2 . . 4.120 3.064 2.761 3.383 . 0 0 "[ . 1 . 2]" 1
1393 1 85 ASN HA 1 87 ALA H . . 3.660 3.533 3.298 3.667 0.007 15 0 "[ . 1 . 2]" 1
1394 1 82 ALA HA 1 86 PHE QE . . 3.600 3.614 3.568 3.655 0.055 17 0 "[ . 1 . 2]" 1
1395 1 82 ALA HA 1 83 LYS H . . 3.070 2.149 2.141 2.181 . 0 0 "[ . 1 . 2]" 1
1396 1 39 LYS H 1 39 LYS HG2 . . 4.910 4.380 4.204 4.669 . 0 0 "[ . 1 . 2]" 1
1397 1 39 LYS HA 1 39 LYS HG2 . . 4.070 3.104 2.188 3.550 . 0 0 "[ . 1 . 2]" 1
1398 1 39 LYS HG3 1 40 PRO HD2 . . 4.540 2.776 2.158 4.576 0.036 20 0 "[ . 1 . 2]" 1
1399 1 36 LEU H 1 36 LEU MD2 . . 4.050 3.210 2.695 3.455 . 0 0 "[ . 1 . 2]" 1
1400 1 36 LEU MD2 1 37 LEU H . . 5.150 4.503 4.336 4.600 . 0 0 "[ . 1 . 2]" 1
1401 1 36 LEU MD2 1 66 PHE HZ . . 3.980 1.902 1.815 2.067 . 0 0 "[ . 1 . 2]" 1
1402 1 36 LEU MD2 1 66 PHE QE . . 4.120 2.835 2.669 3.104 . 0 0 "[ . 1 . 2]" 1
1403 1 35 ASP HA 1 36 LEU MD2 . . 5.500 3.828 3.175 4.499 . 0 0 "[ . 1 . 2]" 1
1404 1 36 LEU HA 1 36 LEU MD2 . . 4.100 2.021 1.930 2.173 . 0 0 "[ . 1 . 2]" 1
1405 1 36 LEU MD2 1 68 ARG HA . . 4.520 2.965 2.693 3.301 . 0 0 "[ . 1 . 2]" 1
1406 1 39 LYS HG2 1 73 TYR QE . . 4.740 3.620 1.991 4.205 . 0 0 "[ . 1 . 2]" 1
1407 1 39 LYS HG2 1 40 PRO HD2 . . 4.540 3.229 2.333 4.017 . 0 0 "[ . 1 . 2]" 1
1408 1 39 LYS H 1 39 LYS HG3 . . 4.910 4.701 3.721 4.894 . 0 0 "[ . 1 . 2]" 1
1409 1 39 LYS HA 1 39 LYS HG3 . . 4.070 2.750 2.375 3.493 . 0 0 "[ . 1 . 2]" 1
1410 1 39 LYS HG3 1 73 TYR QE . . 4.740 2.377 1.983 3.416 . 0 0 "[ . 1 . 2]" 1
1411 1 54 SER H 1 55 LYS HA . . 5.310 5.046 4.870 5.144 . 0 0 "[ . 1 . 2]" 1
1412 1 21 VAL MG2 1 23 GLU H . . 5.500 5.128 5.080 5.156 . 0 0 "[ . 1 . 2]" 1
1413 1 21 VAL MG2 1 85 ASN H . . 5.500 5.285 5.104 5.406 . 0 0 "[ . 1 . 2]" 1
1414 1 21 VAL H 1 21 VAL MG2 . . 2.800 2.243 2.101 2.350 . 0 0 "[ . 1 . 2]" 1
1415 1 21 VAL MG2 1 111 GLU HG2 . . 3.790 3.073 2.925 3.197 . 0 0 "[ . 1 . 2]" 1
1416 1 55 LYS HA 1 55 LYS HD2 . . 3.460 2.981 2.180 3.344 . 0 0 "[ . 1 . 2]" 1
1417 1 55 LYS HA 1 55 LYS QG . . 3.500 2.882 2.786 2.962 . 0 0 "[ . 1 . 2]" 1
1418 1 21 VAL MG2 1 83 LYS HA . . 3.710 3.361 3.138 3.616 . 0 0 "[ . 1 . 2]" 1
1419 1 21 VAL MG2 1 84 ASP HA . . 3.560 3.324 3.131 3.534 . 0 0 "[ . 1 . 2]" 1
1420 1 21 VAL HA 1 21 VAL MG2 . . 2.920 2.289 2.209 2.392 . 0 0 "[ . 1 . 2]" 1
1421 1 20 LYS QD 1 21 VAL MG2 . . 3.930 3.814 3.747 3.909 . 0 0 "[ . 1 . 2]" 1
1422 1 21 VAL MG2 1 82 ALA MB . . 4.540 4.418 4.322 4.509 . 0 0 "[ . 1 . 2]" 1
1423 1 21 VAL MG2 1 84 ASP H . . 3.650 3.269 3.052 3.568 . 0 0 "[ . 1 . 2]" 1
1424 1 20 LYS QG 1 21 VAL MG2 . . 3.900 3.810 3.751 3.922 0.022 14 0 "[ . 1 . 2]" 1
1425 1 37 LEU H 1 37 LEU MD2 . . 3.520 2.691 1.749 3.512 . 0 0 "[ . 1 . 2]" 1
1426 1 37 LEU MD2 1 38 ARG H . . 4.790 4.331 3.795 4.797 0.007 11 0 "[ . 1 . 2]" 1
1427 1 15 GLN HA 1 16 GLY H . . 3.220 2.497 2.144 3.076 . 0 0 "[ . 1 . 2]" 1
1428 1 52 LEU H 1 52 LEU MD2 . . 3.950 3.068 2.596 3.606 . 0 0 "[ . 1 . 2]" 1
1429 1 52 LEU MD2 1 90 TYR QD . . 4.380 4.145 3.514 4.387 0.007 14 0 "[ . 1 . 2]" 1
1430 1 52 LEU MD2 1 90 TYR QE . . 4.040 3.142 2.572 3.519 . 0 0 "[ . 1 . 2]" 1
1431 1 45 PHE HA 1 52 LEU MD2 . . 4.240 4.142 3.866 4.254 0.014 4 0 "[ . 1 . 2]" 1
1432 1 52 LEU HA 1 52 LEU MD2 . . 4.010 2.164 1.969 2.371 . 0 0 "[ . 1 . 2]" 1
1433 1 44 TRP HB3 1 52 LEU MD2 . . 4.910 4.750 4.550 4.893 . 0 0 "[ . 1 . 2]" 1
1434 1 26 THR MG 1 27 PHE H . . 3.140 2.417 2.088 2.760 . 0 0 "[ . 1 . 2]" 1
1435 1 26 THR MG 1 76 GLU HA . . 3.850 3.763 3.647 3.877 0.027 17 0 "[ . 1 . 2]" 1
1436 1 26 THR MG 1 28 ILE HA . . 4.460 4.352 4.146 4.431 . 0 0 "[ . 1 . 2]" 1
1437 1 26 THR MG 1 76 GLU HB3 . . 3.030 2.169 1.999 2.326 . 0 0 "[ . 1 . 2]" 1
1438 1 83 LYS HA 1 84 ASP H . . 3.140 2.434 2.351 2.543 . 0 0 "[ . 1 . 2]" 1
1439 1 82 ALA HA 1 83 LYS HA . . 4.520 4.406 4.384 4.439 . 0 0 "[ . 1 . 2]" 1
1440 1 83 LYS HA 1 83 LYS HG2 . . 3.480 2.854 2.724 2.932 . 0 0 "[ . 1 . 2]" 1
1441 1 51 ASP HA 1 52 LEU H . . 3.160 2.159 2.139 2.188 . 0 0 "[ . 1 . 2]" 1
1442 1 45 PHE QE 1 51 ASP HA . . 4.790 3.530 3.016 3.765 . 0 0 "[ . 1 . 2]" 1
1443 1 45 PHE QD 1 51 ASP HA . . 4.040 2.255 2.066 2.672 . 0 0 "[ . 1 . 2]" 1
1444 1 51 ASP HA 1 52 LEU HA . . 4.620 4.415 4.359 4.466 . 0 0 "[ . 1 . 2]" 1
1445 1 51 ASP HA 1 52 LEU HB2 . . 4.930 4.682 4.489 4.805 . 0 0 "[ . 1 . 2]" 1
1446 1 46 LYS H 1 51 ASP HA . . 4.620 3.172 2.694 3.927 . 0 0 "[ . 1 . 2]" 1
1447 1 51 ASP HA 1 52 LEU HG . . 4.290 3.818 3.596 4.103 . 0 0 "[ . 1 . 2]" 1
1448 1 26 THR MG 1 77 MET H . . 3.680 2.557 2.310 2.719 . 0 0 "[ . 1 . 2]" 1
1449 1 26 THR MG 1 28 ILE H . . 5.000 4.854 4.572 4.955 . 0 0 "[ . 1 . 2]" 1
1450 1 26 THR H 1 26 THR MG . . 3.980 3.969 3.938 3.989 0.009 17 0 "[ . 1 . 2]" 1
1451 1 26 THR MG 1 78 GLN HE21 . . 4.190 3.784 3.502 4.001 . 0 0 "[ . 1 . 2]" 1
1452 1 26 THR MG 1 27 PHE HA . . 4.230 3.978 3.770 4.181 . 0 0 "[ . 1 . 2]" 1
1453 1 26 THR MG 1 78 GLN QG . . 3.260 2.794 2.578 3.035 . 0 0 "[ . 1 . 2]" 1
1454 1 33 ALA H 1 72 VAL MG1 . . 4.110 3.818 3.431 4.106 . 0 0 "[ . 1 . 2]" 1
1455 1 72 VAL HA 1 72 VAL MG1 . . 3.200 2.451 2.367 2.501 . 0 0 "[ . 1 . 2]" 1
1456 1 87 ALA HA 1 88 GLY H . . 2.930 2.178 2.145 2.302 . 0 0 "[ . 1 . 2]" 1
1457 1 87 ALA HA 1 90 TYR QE . . 4.290 3.481 3.276 3.782 . 0 0 "[ . 1 . 2]" 1
1458 1 87 ALA HA 1 107 LEU HB3 . . 3.880 2.976 2.130 3.342 . 0 0 "[ . 1 . 2]" 1
1459 1 87 ALA HA 1 107 LEU HG . . 4.850 4.555 2.856 4.858 0.008 19 0 "[ . 1 . 2]" 1
1460 1 87 ALA HA 1 109 VAL HB . . 4.750 4.552 4.314 4.762 0.012 11 0 "[ . 1 . 2]" 1
1461 1 87 ALA HA 1 107 LEU MD2 . . 4.750 4.279 2.454 4.704 . 0 0 "[ . 1 . 2]" 1
1462 1 72 VAL MG2 1 73 TYR H . . 3.960 3.906 3.817 3.967 0.007 17 0 "[ . 1 . 2]" 1
1463 1 72 VAL HA 1 72 VAL MG2 . . 3.200 2.333 2.216 2.440 . 0 0 "[ . 1 . 2]" 1
1464 1 65 THR MG 1 74 THR H . . 4.420 2.584 2.228 2.886 . 0 0 "[ . 1 . 2]" 1
1465 1 65 THR H 1 65 THR MG . . 3.280 2.499 2.405 2.577 . 0 0 "[ . 1 . 2]" 1
1466 1 65 THR MG 1 67 GLU H . . 4.980 4.651 4.418 4.790 . 0 0 "[ . 1 . 2]" 1
1467 1 64 GLU HA 1 65 THR MG . . 4.340 3.877 3.716 3.972 . 0 0 "[ . 1 . 2]" 1
1468 1 65 THR MG 1 66 PHE QB . . 4.730 4.579 4.455 4.679 . 0 0 "[ . 1 . 2]" 1
1469 1 74 THR MG 1 75 PHE H . . 3.260 2.989 2.677 3.179 . 0 0 "[ . 1 . 2]" 1
1470 1 74 THR MG 1 76 GLU H . . 5.030 4.540 4.168 4.846 . 0 0 "[ . 1 . 2]" 1
1471 1 29 ALA H 1 74 THR MG . . 4.200 3.284 2.830 3.637 . 0 0 "[ . 1 . 2]" 1
1472 1 30 LYS HA 1 74 THR MG . . 4.220 3.755 3.180 4.153 . 0 0 "[ . 1 . 2]" 1
1473 1 74 THR MG 1 75 PHE HA . . 4.410 3.921 3.751 4.116 . 0 0 "[ . 1 . 2]" 1
1474 1 19 VAL MG1 1 110 HIS H . . 4.530 4.271 4.111 4.441 . 0 0 "[ . 1 . 2]" 1
1475 1 19 VAL MG1 1 109 VAL HA . . 3.340 3.133 2.951 3.236 . 0 0 "[ . 1 . 2]" 1
1476 1 19 VAL HA 1 19 VAL MG1 . . 3.290 3.199 3.186 3.204 . 0 0 "[ . 1 . 2]" 1
1477 1 19 VAL MG1 1 25 ILE HB . . 3.490 3.360 3.177 3.488 . 0 0 "[ . 1 . 2]" 1
1478 1 33 ALA H 1 72 VAL MG2 . . 4.110 2.669 2.234 2.990 . 0 0 "[ . 1 . 2]" 1
1479 1 56 ALA HA 1 57 GLY H . . 2.960 2.152 2.145 2.162 . 0 0 "[ . 1 . 2]" 1
1480 1 56 ALA HA 1 61 GLN HA . . 4.550 3.848 3.560 4.082 . 0 0 "[ . 1 . 2]" 1
1481 1 55 LYS HA 1 56 ALA HA . . 5.120 4.855 4.794 4.875 . 0 0 "[ . 1 . 2]" 1
1482 1 56 ALA HA 1 60 LEU HB3 . . 3.230 2.228 1.999 2.492 . 0 0 "[ . 1 . 2]" 1
1483 1 56 ALA HA 1 60 LEU MD1 . . 4.160 4.135 4.026 4.178 0.018 13 0 "[ . 1 . 2]" 1
1484 1 64 GLU H 1 65 THR MG . . 5.280 4.952 4.761 5.113 . 0 0 "[ . 1 . 2]" 1
1485 1 74 THR MG 1 75 PHE QD . . 5.140 4.962 4.582 5.104 . 0 0 "[ . 1 . 2]" 1
1486 1 41 THR H 1 41 THR MG . . 3.910 3.853 3.776 3.937 0.027 7 0 "[ . 1 . 2]" 1
1487 1 41 THR MG 1 42 ILE H . . 3.180 2.165 1.889 2.620 . 0 0 "[ . 1 . 2]" 1
1488 1 41 THR HA 1 41 THR MG . . 2.820 2.322 2.251 2.385 . 0 0 "[ . 1 . 2]" 1
1489 1 19 VAL H 1 19 VAL MG2 . . 4.070 3.863 3.843 3.897 . 0 0 "[ . 1 . 2]" 1
1490 1 19 VAL MG2 1 20 LYS H . . 2.860 1.980 1.907 2.133 . 0 0 "[ . 1 . 2]" 1
1491 1 19 VAL MG2 1 24 ASP H . . 3.690 3.331 3.224 3.468 . 0 0 "[ . 1 . 2]" 1
1492 1 19 VAL HA 1 19 VAL MG2 . . 2.820 2.305 2.245 2.398 . 0 0 "[ . 1 . 2]" 1
1493 1 19 VAL MG2 1 23 GLU HB2 . . 3.000 2.148 2.007 2.330 . 0 0 "[ . 1 . 2]" 1
1494 1 19 VAL MG2 1 20 LYS HB3 . . 3.870 3.708 3.651 3.835 . 0 0 "[ . 1 . 2]" 1
1495 1 19 VAL MG2 1 25 ILE HB . . 3.070 2.124 2.018 2.298 . 0 0 "[ . 1 . 2]" 1
1496 1 19 VAL MG2 1 20 LYS HB2 . . 4.050 4.039 3.958 4.086 0.036 17 0 "[ . 1 . 2]" 1
1497 1 19 VAL MG2 1 25 ILE MG . . 3.160 2.610 2.217 2.949 . 0 0 "[ . 1 . 2]" 1
1498 1 84 ASP H 1 109 VAL MG1 . . 4.000 3.413 3.288 3.551 . 0 0 "[ . 1 . 2]" 1
1499 1 109 VAL MG1 1 110 HIS H . . 3.180 2.677 2.518 2.862 . 0 0 "[ . 1 . 2]" 1
1500 1 19 VAL H 1 109 VAL MG1 . . 5.020 4.500 4.389 4.704 . 0 0 "[ . 1 . 2]" 1
1501 1 109 VAL MG1 1 111 GLU H . . 5.460 4.692 4.574 4.871 . 0 0 "[ . 1 . 2]" 1
1502 1 85 ASN H 1 109 VAL MG1 . . 4.700 4.523 4.390 4.711 0.011 9 0 "[ . 1 . 2]" 1
1503 1 21 VAL H 1 109 VAL MG1 . . 3.390 3.188 3.035 3.285 . 0 0 "[ . 1 . 2]" 1
1504 1 87 ALA H 1 109 VAL MG1 . . 4.590 4.316 4.104 4.584 . 0 0 "[ . 1 . 2]" 1
1505 1 109 VAL HA 1 109 VAL MG1 . . 2.980 2.374 2.251 2.436 . 0 0 "[ . 1 . 2]" 1
1506 1 83 LYS HA 1 109 VAL MG1 . . 3.920 3.605 3.486 3.740 . 0 0 "[ . 1 . 2]" 1
1507 1 87 ALA HA 1 109 VAL MG1 . . 5.500 5.125 4.906 5.383 . 0 0 "[ . 1 . 2]" 1
1508 1 84 ASP HA 1 109 VAL MG1 . . 2.920 2.041 1.933 2.202 . 0 0 "[ . 1 . 2]" 1
1509 1 21 VAL HA 1 109 VAL MG1 . . 3.300 2.813 2.751 2.839 . 0 0 "[ . 1 . 2]" 1
1510 1 84 ASP HB2 1 109 VAL MG1 . . 4.150 3.835 3.283 4.211 0.061 19 0 "[ . 1 . 2]" 1
1511 1 84 ASP HB3 1 109 VAL MG1 . . 4.150 3.760 3.559 4.163 0.013 20 0 "[ . 1 . 2]" 1
1512 1 87 ALA MB 1 109 VAL MG1 . . 3.840 3.459 3.330 3.691 . 0 0 "[ . 1 . 2]" 1
1513 1 21 VAL MG2 1 109 VAL MG1 . . 2.540 1.871 1.756 1.953 . 0 0 "[ . 1 . 2]" 1
1514 1 95 THR MG 1 96 TYR H . . 3.620 2.748 1.904 3.597 . 0 0 "[ . 1 . 2]" 1
1515 1 95 THR MG 1 100 PHE QE . . 4.620 4.178 2.868 4.645 0.025 14 0 "[ . 1 . 2]" 1
1516 1 95 THR MG 1 100 PHE QD . . 3.240 2.827 1.829 3.252 0.012 14 0 "[ . 1 . 2]" 1
1517 1 95 THR MG 1 100 PHE HA . . 4.080 3.653 3.129 4.099 0.019 13 0 "[ . 1 . 2]" 1
1518 1 95 THR HA 1 95 THR MG . . 2.990 2.245 2.127 2.343 . 0 0 "[ . 1 . 2]" 1
1519 1 95 THR HG1 1 95 THR MG . . 3.290 2.677 2.014 3.034 . 0 0 "[ . 1 . 2]" 1
1520 1 95 THR MG 1 100 PHE HB3 . . 3.870 3.296 1.976 3.877 0.007 20 0 "[ . 1 . 2]" 1
1521 1 95 THR MG 1 100 PHE HB2 . . 3.870 2.156 1.839 3.346 . 0 0 "[ . 1 . 2]" 1
1522 1 21 VAL MG1 1 22 GLY H . . 2.890 2.641 2.467 2.818 . 0 0 "[ . 1 . 2]" 1
1523 1 21 VAL MG1 1 82 ALA H . . 5.500 5.461 5.358 5.528 0.028 13 0 "[ . 1 . 2]" 1
1524 1 21 VAL MG1 1 84 ASP H . . 3.870 3.526 3.237 3.843 . 0 0 "[ . 1 . 2]" 1
1525 1 21 VAL MG1 1 112 SER H . . 4.630 3.394 3.311 3.521 . 0 0 "[ . 1 . 2]" 1
1526 1 21 VAL H 1 21 VAL MG1 . . 3.900 3.751 3.742 3.762 . 0 0 "[ . 1 . 2]" 1
1527 1 21 VAL MG1 1 83 LYS HA . . 3.170 2.879 2.628 3.074 . 0 0 "[ . 1 . 2]" 1
1528 1 21 VAL MG1 1 22 GLY HA2 . . 3.630 3.538 3.468 3.629 . 0 0 "[ . 1 . 2]" 1
1529 1 21 VAL MG1 1 111 GLU HA . . 4.120 3.912 3.823 3.991 . 0 0 "[ . 1 . 2]" 1
1530 1 21 VAL HA 1 21 VAL MG1 . . 2.790 2.433 2.384 2.500 . 0 0 "[ . 1 . 2]" 1
1531 1 109 VAL MG1 1 111 GLU HA . . 4.510 4.213 4.119 4.332 . 0 0 "[ . 1 . 2]" 1
1532 1 86 PHE HB2 1 109 VAL MG1 . . 4.620 3.773 3.568 3.938 . 0 0 "[ . 1 . 2]" 1
1533 1 33 ALA MB 1 73 TYR H . . 4.530 3.188 2.964 3.596 . 0 0 "[ . 1 . 2]" 1
1534 1 33 ALA H 1 33 ALA MB . . 3.310 2.419 2.306 2.518 . 0 0 "[ . 1 . 2]" 1
1535 1 33 ALA MB 1 35 ASP H . . 3.860 3.588 2.640 3.864 0.004 13 0 "[ . 1 . 2]" 1
1536 1 33 ALA MB 1 66 PHE HZ . . 4.910 4.519 4.026 4.791 . 0 0 "[ . 1 . 2]" 1
1537 1 33 ALA MB 1 73 TYR QD . . 3.320 2.093 1.950 2.238 . 0 0 "[ . 1 . 2]" 1
1538 1 33 ALA MB 1 39 LYS HA . . 4.900 4.618 4.276 4.925 0.025 14 0 "[ . 1 . 2]" 1
1539 1 33 ALA MB 1 40 PRO HD3 . . 3.690 3.363 3.052 3.628 . 0 0 "[ . 1 . 2]" 1
1540 1 33 ALA MB 1 34 GLU H . . 3.610 2.688 2.404 3.080 . 0 0 "[ . 1 . 2]" 1
1541 1 33 ALA MB 1 96 TYR QE . . 3.620 3.419 2.909 3.620 0.000 8 0 "[ . 1 . 2]" 1
1542 1 33 ALA MB 1 73 TYR QE . . 3.110 2.155 1.961 2.455 . 0 0 "[ . 1 . 2]" 1
1543 1 33 ALA MB 1 66 PHE QD . . 4.790 4.028 3.745 4.276 . 0 0 "[ . 1 . 2]" 1
1544 1 33 ALA MB 1 73 TYR HB2 . . 4.420 4.055 3.750 4.242 . 0 0 "[ . 1 . 2]" 1
1545 1 33 ALA MB 1 40 PRO HD2 . . 4.420 3.990 3.646 4.323 . 0 0 "[ . 1 . 2]" 1
1546 1 18 THR MG 1 110 HIS H . . 3.740 3.203 3.055 3.370 . 0 0 "[ . 1 . 2]" 1
1547 1 18 THR MG 1 19 VAL H . . 2.990 2.905 2.719 2.995 0.005 19 0 "[ . 1 . 2]" 1
1548 1 18 THR H 1 18 THR MG . . 3.990 3.972 3.915 3.994 0.004 3 0 "[ . 1 . 2]" 1
1549 1 18 THR MG 1 110 HIS HD2 . . 3.490 2.568 2.334 2.725 . 0 0 "[ . 1 . 2]" 1
1550 1 18 THR HA 1 18 THR MG . . 2.850 2.200 2.117 2.425 . 0 0 "[ . 1 . 2]" 1
1551 1 18 THR MG 1 19 VAL HA . . 4.140 4.044 3.763 4.146 0.006 7 0 "[ . 1 . 2]" 1
1552 1 18 THR MG 1 110 HIS HB3 . . 4.600 4.498 4.330 4.568 . 0 0 "[ . 1 . 2]" 1
1553 1 18 THR MG 1 110 HIS HB2 . . 3.530 3.467 3.271 3.536 0.006 11 0 "[ . 1 . 2]" 1
1554 1 18 THR MG 1 108 GLU HG2 . . 4.620 4.017 3.539 4.480 . 0 0 "[ . 1 . 2]" 1
1555 1 18 THR MG 1 108 GLU HG3 . . 4.620 4.107 3.590 4.410 . 0 0 "[ . 1 . 2]" 1
1556 1 18 THR MG 1 108 GLU HB2 . . 3.140 2.252 1.973 2.537 . 0 0 "[ . 1 . 2]" 1
1557 1 87 ALA MB 1 88 GLY H . . 3.500 3.175 2.751 3.403 . 0 0 "[ . 1 . 2]" 1
1558 1 87 ALA MB 1 108 GLU H . . 4.700 4.431 3.784 4.667 . 0 0 "[ . 1 . 2]" 1
1559 1 87 ALA MB 1 109 VAL H . . 3.060 2.145 1.939 2.371 . 0 0 "[ . 1 . 2]" 1
1560 1 87 ALA H 1 87 ALA MB . . 2.670 2.116 2.059 2.217 . 0 0 "[ . 1 . 2]" 1
1561 1 87 ALA MB 1 109 VAL HA . . 4.540 3.807 3.519 4.150 . 0 0 "[ . 1 . 2]" 1
1562 1 85 ASN HA 1 87 ALA MB . . 4.690 4.436 4.127 4.599 . 0 0 "[ . 1 . 2]" 1
1563 1 84 ASP HA 1 87 ALA MB . . 3.850 3.213 3.002 3.542 . 0 0 "[ . 1 . 2]" 1
1564 1 87 ALA MB 1 88 GLY HA3 . . 4.610 4.369 4.089 4.585 . 0 0 "[ . 1 . 2]" 1
1565 1 87 ALA MB 1 107 LEU HB3 . . 5.270 4.403 3.637 4.680 . 0 0 "[ . 1 . 2]" 1
1566 1 87 ALA MB 1 109 VAL HB . . 3.030 2.286 2.100 2.559 . 0 0 "[ . 1 . 2]" 1
1567 1 87 ALA MB 1 109 VAL MG2 . . 2.840 1.777 1.706 2.068 . 0 0 "[ . 1 . 2]" 1
1568 1 116 THR HB 1 117 PRO HD2 . . 3.980 2.261 2.036 2.473 . 0 0 "[ . 1 . 2]" 1
1569 1 116 THR HA 1 117 PRO HD3 . . 2.810 2.268 2.254 2.293 . 0 0 "[ . 1 . 2]" 1
1570 1 116 THR HB 1 117 PRO HD3 . . 3.980 3.675 3.483 3.851 . 0 0 "[ . 1 . 2]" 1
1571 1 22 GLY H 1 82 ALA MB . . 3.500 3.326 3.205 3.499 . 0 0 "[ . 1 . 2]" 1
1572 1 82 ALA H 1 82 ALA MB . . 2.700 2.136 2.026 2.232 . 0 0 "[ . 1 . 2]" 1
1573 1 79 ILE H 1 82 ALA MB . . 5.500 5.462 5.307 5.529 0.029 17 0 "[ . 1 . 2]" 1
1574 1 25 ILE H 1 82 ALA MB . . 4.470 3.954 3.764 4.259 . 0 0 "[ . 1 . 2]" 1
1575 1 23 GLU H 1 82 ALA MB . . 3.810 3.686 3.432 3.827 0.017 17 0 "[ . 1 . 2]" 1
1576 1 24 ASP H 1 82 ALA MB . . 5.500 5.158 4.950 5.324 . 0 0 "[ . 1 . 2]" 1
1577 1 82 ALA MB 1 86 PHE H . . 5.500 4.752 4.563 4.894 . 0 0 "[ . 1 . 2]" 1
1578 1 82 ALA MB 1 86 PHE QE . . 4.600 4.379 4.289 4.464 . 0 0 "[ . 1 . 2]" 1
1579 1 82 ALA MB 1 86 PHE QD . . 3.530 3.373 3.222 3.491 . 0 0 "[ . 1 . 2]" 1
1580 1 82 ALA MB 1 83 LYS H . . 3.550 3.325 3.153 3.479 . 0 0 "[ . 1 . 2]" 1
1581 1 24 ASP HA 1 82 ALA MB . . 4.190 3.885 3.582 4.082 . 0 0 "[ . 1 . 2]" 1
1582 1 82 ALA MB 1 109 VAL HA . . 4.770 4.645 4.536 4.736 . 0 0 "[ . 1 . 2]" 1
1583 1 82 ALA MB 1 83 LYS HA . . 4.390 4.311 4.194 4.389 . 0 0 "[ . 1 . 2]" 1
1584 1 22 GLY HA2 1 82 ALA MB . . 4.950 4.830 4.692 4.935 . 0 0 "[ . 1 . 2]" 1
1585 1 21 VAL HA 1 82 ALA MB . . 3.500 3.465 3.383 3.530 0.030 20 0 "[ . 1 . 2]" 1
1586 1 23 GLU HB2 1 82 ALA MB . . 4.240 4.062 3.906 4.174 . 0 0 "[ . 1 . 2]" 1
1587 1 19 VAL MG2 1 82 ALA MB . . 2.770 2.335 2.090 2.525 . 0 0 "[ . 1 . 2]" 1
1588 1 19 VAL MG1 1 82 ALA MB . . 2.580 1.888 1.776 2.040 . 0 0 "[ . 1 . 2]" 1
1589 1 82 ALA MB 1 109 VAL MG1 . . 3.030 2.962 2.743 3.056 0.026 19 0 "[ . 1 . 2]" 1
1590 1 33 ALA HA 1 34 GLU HB2 . . 4.760 4.615 4.500 4.751 . 0 0 "[ . 1 . 2]" 1
1591 1 33 ALA HA 1 34 GLU H . . 2.950 2.319 2.169 2.449 . 0 0 "[ . 1 . 2]" 1
1592 1 33 ALA HA 1 35 ASP H . . 4.340 4.238 3.931 4.353 0.013 4 0 "[ . 1 . 2]" 1
1593 1 33 ALA HA 1 96 TYR QE . . 3.580 3.035 2.515 3.557 . 0 0 "[ . 1 . 2]" 1
1594 1 33 ALA HA 1 34 GLU HA . . 4.480 4.418 4.376 4.467 . 0 0 "[ . 1 . 2]" 1
1595 1 88 GLY H 1 109 VAL MG2 . . 5.290 4.286 4.077 4.603 . 0 0 "[ . 1 . 2]" 1
1596 1 109 VAL MG2 1 110 HIS H . . 4.240 4.174 4.096 4.219 . 0 0 "[ . 1 . 2]" 1
1597 1 19 VAL H 1 109 VAL MG2 . . 4.300 3.754 3.492 3.995 . 0 0 "[ . 1 . 2]" 1
1598 1 108 GLU H 1 109 VAL MG2 . . 4.830 4.172 3.978 4.385 . 0 0 "[ . 1 . 2]" 1
1599 1 87 ALA HA 1 109 VAL MG2 . . 3.380 2.508 2.274 2.801 . 0 0 "[ . 1 . 2]" 1
1600 1 86 PHE HB3 1 109 VAL MG2 . . 3.970 3.434 3.317 3.551 . 0 0 "[ . 1 . 2]" 1
1601 1 86 PHE HB2 1 109 VAL MG2 . . 3.780 2.601 2.506 2.785 . 0 0 "[ . 1 . 2]" 1
1602 1 107 LEU HB3 1 109 VAL MG2 . . 4.650 4.246 3.894 4.566 . 0 0 "[ . 1 . 2]" 1
1603 1 82 ALA MB 1 109 VAL MG2 . . 3.080 3.001 2.865 3.088 0.008 1 0 "[ . 1 . 2]" 1
1604 1 19 VAL HB 1 109 VAL MG2 . . 5.460 5.154 4.892 5.369 . 0 0 "[ . 1 . 2]" 1
1605 1 40 PRO HD3 1 73 TYR QD . . 4.860 4.001 3.565 4.502 . 0 0 "[ . 1 . 2]" 1
1606 1 40 PRO HD2 1 73 TYR QD . . 4.830 3.392 3.061 3.632 . 0 0 "[ . 1 . 2]" 1
1607 1 40 PRO HD2 1 73 TYR QE . . 4.450 3.017 2.692 3.452 . 0 0 "[ . 1 . 2]" 1
1608 1 40 PRO HD2 1 96 TYR QD . . 4.910 4.497 3.955 4.776 . 0 0 "[ . 1 . 2]" 1
1609 1 39 LYS QD 1 40 PRO HD2 . . 4.910 4.260 2.669 4.710 . 0 0 "[ . 1 . 2]" 1
1610 1 56 ALA MB 1 57 GLY H . . 3.480 3.354 3.225 3.419 . 0 0 "[ . 1 . 2]" 1
1611 1 56 ALA MB 1 62 LEU H . . 3.790 2.916 2.654 3.153 . 0 0 "[ . 1 . 2]" 1
1612 1 56 ALA H 1 56 ALA MB . . 2.780 2.036 2.024 2.065 . 0 0 "[ . 1 . 2]" 1
1613 1 56 ALA MB 1 61 GLN HE22 . . 4.410 4.163 3.930 4.289 . 0 0 "[ . 1 . 2]" 1
1614 1 55 LYS HA 1 56 ALA MB . . 4.950 4.951 4.929 4.975 0.025 10 0 "[ . 1 . 2]" 1
1615 1 53 ALA HA 1 56 ALA MB . . 3.560 3.001 2.766 3.214 . 0 0 "[ . 1 . 2]" 1
1616 1 56 ALA MB 1 61 GLN HG2 . . 4.970 4.806 4.478 4.966 . 0 0 "[ . 1 . 2]" 1
1617 1 56 ALA MB 1 61 GLN HB3 . . 5.500 4.983 4.656 5.168 . 0 0 "[ . 1 . 2]" 1
1618 1 56 ALA MB 1 62 LEU MD1 . . 3.400 2.595 2.417 2.831 . 0 0 "[ . 1 . 2]" 1
1619 1 56 ALA MB 1 60 LEU MD1 . . 4.470 3.862 3.606 4.092 . 0 0 "[ . 1 . 2]" 1
1620 1 56 ALA MB 1 60 LEU MD2 . . 4.470 2.042 1.913 2.339 . 0 0 "[ . 1 . 2]" 1
1621 1 28 ILE MG 1 75 PHE H . . 4.850 4.723 4.476 4.856 0.006 1 0 "[ . 1 . 2]" 1
1622 1 28 ILE MG 1 29 ALA H . . 3.250 2.216 1.910 2.556 . 0 0 "[ . 1 . 2]" 1
1623 1 28 ILE H 1 28 ILE MG . . 3.830 3.785 3.749 3.820 . 0 0 "[ . 1 . 2]" 1
1624 1 28 ILE MG 1 30 LYS HA . . 4.950 4.737 4.534 5.030 0.080 17 0 "[ . 1 . 2]" 1
1625 1 28 ILE MG 1 76 GLU HA . . 5.070 4.800 4.669 4.868 . 0 0 "[ . 1 . 2]" 1
1626 1 28 ILE HA 1 28 ILE MG . . 3.100 2.411 2.356 2.458 . 0 0 "[ . 1 . 2]" 1
1627 1 28 ILE MG 1 29 ALA HA . . 3.780 3.248 3.125 3.341 . 0 0 "[ . 1 . 2]" 1
1628 1 12 GLU HG3 1 28 ILE MG . . 4.630 3.482 1.958 4.294 . 0 0 "[ . 1 . 2]" 1
1629 1 28 ILE MG 1 76 GLU QG . . 3.600 3.568 3.369 3.641 0.041 17 0 "[ . 1 . 2]" 1
1630 1 28 ILE HG12 1 28 ILE MG . . 3.300 3.191 3.183 3.202 . 0 0 "[ . 1 . 2]" 1
1631 1 28 ILE MG 1 74 THR MG . . 3.000 2.830 2.571 3.014 0.014 5 0 "[ . 1 . 2]" 1
1632 1 28 ILE HG13 1 28 ILE MG . . 2.850 2.313 2.251 2.352 . 0 0 "[ . 1 . 2]" 1
1633 1 14 PRO HD3 1 29 ALA MB . . 4.200 2.299 1.915 2.677 . 0 0 "[ . 1 . 2]" 1
1634 1 44 TRP HE3 1 77 MET ME . . 2.930 2.322 1.971 2.934 0.004 8 0 "[ . 1 . 2]" 1
1635 1 27 PHE QE 1 77 MET ME . . 2.740 2.455 1.975 2.743 0.003 11 0 "[ . 1 . 2]" 1
1636 1 27 PHE QD 1 77 MET ME . . 2.540 2.321 2.083 2.512 . 0 0 "[ . 1 . 2]" 1
1637 1 77 MET ME 1 90 TYR QE . . 2.870 2.173 1.794 2.448 . 0 0 "[ . 1 . 2]" 1
1638 1 44 TRP HB3 1 77 MET ME . . 3.390 3.306 3.031 3.397 0.007 16 0 "[ . 1 . 2]" 1
1639 1 44 TRP HB2 1 77 MET ME . . 4.580 4.375 3.904 4.578 . 0 0 "[ . 1 . 2]" 1
1640 1 27 PHE QB 1 77 MET ME . . 3.570 3.117 2.565 3.577 0.007 8 0 "[ . 1 . 2]" 1
1641 1 77 MET HB2 1 77 MET ME . . 3.260 3.033 2.683 3.289 0.029 16 0 "[ . 1 . 2]" 1
1642 1 80 ILE MG 1 81 LYS H . . 3.150 2.211 1.988 2.459 . 0 0 "[ . 1 . 2]" 1
1643 1 80 ILE H 1 80 ILE MG . . 3.990 3.821 3.788 3.851 . 0 0 "[ . 1 . 2]" 1
1644 1 24 ASP HA 1 80 ILE MG . . 4.470 4.177 3.949 4.363 . 0 0 "[ . 1 . 2]" 1
1645 1 59 HIS HA 1 80 ILE MG . . 3.780 3.688 3.547 3.801 0.021 10 0 "[ . 1 . 2]" 1
1646 1 80 ILE HA 1 80 ILE MG . . 3.010 2.120 2.061 2.165 . 0 0 "[ . 1 . 2]" 1
1647 1 52 LEU H 1 53 ALA MB . . 4.480 4.228 3.961 4.438 . 0 0 "[ . 1 . 2]" 1
1648 1 53 ALA MB 1 54 SER H . . 3.470 2.512 2.239 2.756 . 0 0 "[ . 1 . 2]" 1
1649 1 53 ALA MB 1 56 ALA H . . 4.860 4.721 4.609 4.860 . 0 0 "[ . 1 . 2]" 1
1650 1 53 ALA MB 1 54 SER HA . . 4.160 3.777 3.685 3.899 . 0 0 "[ . 1 . 2]" 1
1651 1 51 ASP HA 1 53 ALA MB . . 4.950 4.540 4.308 4.906 . 0 0 "[ . 1 . 2]" 1
1652 1 44 TRP HB2 1 53 ALA MB . . 4.760 4.270 3.852 4.737 . 0 0 "[ . 1 . 2]" 1
1653 1 53 ALA MB 1 62 LEU MD1 . . 3.430 3.152 2.888 3.366 . 0 0 "[ . 1 . 2]" 1
1654 1 53 ALA MB 1 62 LEU MD2 . . 4.980 4.683 4.523 4.868 . 0 0 "[ . 1 . 2]" 1
1655 1 11 ILE HA 1 11 ILE MG . . 3.340 2.790 2.349 3.202 . 0 0 "[ . 1 . 2]" 1
1656 1 42 ILE MG 1 44 TRP H . . 4.940 4.541 4.334 4.937 . 0 0 "[ . 1 . 2]" 1
1657 1 41 THR MG 1 42 ILE MG . . 4.320 3.459 3.191 3.692 . 0 0 "[ . 1 . 2]" 1
1658 1 42 ILE MG 1 44 TRP HE1 . . 3.310 2.407 2.019 3.099 . 0 0 "[ . 1 . 2]" 1
1659 1 42 ILE H 1 42 ILE MG . . 2.860 1.941 1.887 2.045 . 0 0 "[ . 1 . 2]" 1
1660 1 42 ILE MG 1 75 PHE QD . . 3.150 2.667 2.164 2.984 . 0 0 "[ . 1 . 2]" 1
1661 1 42 ILE MG 1 44 TRP HD1 . . 4.170 3.521 3.258 3.793 . 0 0 "[ . 1 . 2]" 1
1662 1 42 ILE MG 1 75 PHE HZ . . 4.800 4.509 4.071 4.767 . 0 0 "[ . 1 . 2]" 1
1663 1 42 ILE MG 1 75 PHE HA . . 4.460 4.070 3.831 4.306 . 0 0 "[ . 1 . 2]" 1
1664 1 41 THR HA 1 42 ILE MG . . 3.790 3.717 3.608 3.796 0.006 18 0 "[ . 1 . 2]" 1
1665 1 41 THR HB 1 42 ILE MG . . 5.500 5.485 5.390 5.531 0.031 7 0 "[ . 1 . 2]" 1
1666 1 42 ILE MG 1 75 PHE HB3 . . 3.600 2.125 1.956 2.501 . 0 0 "[ . 1 . 2]" 1
1667 1 42 ILE MG 1 75 PHE HB2 . . 3.990 2.810 2.484 3.257 . 0 0 "[ . 1 . 2]" 1
1668 1 42 ILE MG 1 64 GLU QG . . 4.440 4.047 3.447 4.429 . 0 0 "[ . 1 . 2]" 1
1669 1 29 ALA MB 1 42 ILE MG . . 4.870 4.427 3.892 4.856 . 0 0 "[ . 1 . 2]" 1
1670 1 8 ILE H 1 8 ILE MG . . 4.150 3.251 1.927 3.902 . 0 0 "[ . 1 . 2]" 1
1671 1 119 ILE MG 1 120 ASP HA . . 4.430 3.816 3.309 4.264 . 0 0 "[ . 1 . 2]" 1
1672 1 8 ILE HA 1 8 ILE MG . . 3.530 2.567 2.154 3.199 . 0 0 "[ . 1 . 2]" 1
1673 1 119 ILE MG 1 120 ASP HB2 . . 5.210 4.317 2.652 5.178 . 0 0 "[ . 1 . 2]" 1
1674 1 119 ILE MG 1 120 ASP HB3 . . 5.210 4.456 3.197 5.156 . 0 0 "[ . 1 . 2]" 1
1675 1 90 TYR QD 1 90 TYR HH . . 4.890 4.275 4.242 4.332 . 0 0 "[ . 1 . 2]" 1
1676 1 90 TYR H 1 90 TYR QD . . 4.000 2.598 2.352 2.943 . 0 0 "[ . 1 . 2]" 1
1677 1 90 TYR QD 1 91 ARG H . . 4.500 3.896 3.098 4.387 . 0 0 "[ . 1 . 2]" 1
1678 1 90 TYR QD 1 107 LEU HB3 . . 4.370 3.175 2.584 4.058 . 0 0 "[ . 1 . 2]" 1
1679 1 77 MET ME 1 90 TYR QD . . 3.870 2.285 1.935 2.639 . 0 0 "[ . 1 . 2]" 1
1680 1 90 TYR QD 1 107 LEU HB2 . . 4.800 3.183 2.397 3.627 . 0 0 "[ . 1 . 2]" 1
1681 1 25 ILE MD 1 27 PHE QD . . 4.570 4.057 3.845 4.379 . 0 0 "[ . 1 . 2]" 1
1682 1 27 PHE QD 1 77 MET HB2 . . 4.830 3.795 3.667 4.038 . 0 0 "[ . 1 . 2]" 1
1683 1 17 GLY H 1 27 PHE QD . . 4.790 4.652 4.388 4.805 0.015 14 0 "[ . 1 . 2]" 1
1684 1 14 PRO HB2 1 27 PHE QD . . 4.080 3.338 3.087 3.590 . 0 0 "[ . 1 . 2]" 1
1685 1 27 PHE QD 1 77 MET HB3 . . 3.920 2.080 1.997 2.369 . 0 0 "[ . 1 . 2]" 1
1686 1 33 ALA H 1 73 TYR QD . . 5.240 4.267 3.959 4.580 . 0 0 "[ . 1 . 2]" 1
1687 1 66 PHE QD 1 73 TYR QD . . 4.600 2.900 2.766 3.065 . 0 0 "[ . 1 . 2]" 1
1688 1 66 PHE QB 1 73 TYR QD . . 4.030 2.538 2.256 3.028 . 0 0 "[ . 1 . 2]" 1
1689 1 95 THR HB 1 100 PHE QD . . 4.960 4.195 3.725 5.021 0.061 13 0 "[ . 1 . 2]" 1
1690 1 40 PRO HD3 1 96 TYR QD . . 4.590 3.025 2.433 3.401 . 0 0 "[ . 1 . 2]" 1
1691 1 94 VAL H 1 100 PHE QD . . 4.820 3.503 2.790 3.995 . 0 0 "[ . 1 . 2]" 1
1692 1 96 TYR H 1 100 PHE QD . . 4.730 4.071 3.782 4.730 0.000 17 0 "[ . 1 . 2]" 1
1693 1 100 PHE QD 1 101 ASP H . . 4.060 2.961 2.278 3.787 . 0 0 "[ . 1 . 2]" 1
1694 1 100 PHE H 1 100 PHE QD . . 4.450 3.835 2.061 4.187 . 0 0 "[ . 1 . 2]" 1
1695 1 100 PHE HA 1 100 PHE QD . . 3.830 2.927 2.524 3.712 . 0 0 "[ . 1 . 2]" 1
1696 1 95 THR HA 1 100 PHE QD . . 4.100 2.171 1.972 3.266 . 0 0 "[ . 1 . 2]" 1
1697 1 100 PHE QD 1 102 SER QB . . 4.890 4.424 3.151 4.925 0.035 14 0 "[ . 1 . 2]" 1
1698 1 93 GLU HB3 1 100 PHE QD . . 4.960 4.488 4.076 4.847 . 0 0 "[ . 1 . 2]" 1
1699 1 40 PRO HB3 1 96 TYR QD . . 4.060 2.334 2.022 2.538 . 0 0 "[ . 1 . 2]" 1
1700 1 40 PRO HG3 1 96 TYR QD . . 4.390 3.780 3.445 4.159 . 0 0 "[ . 1 . 2]" 1
1701 1 41 THR H 1 96 TYR QD . . 4.900 4.702 4.247 4.909 0.009 20 0 "[ . 1 . 2]" 1
1702 1 39 LYS HA 1 96 TYR QD . . 5.100 4.554 4.027 4.897 . 0 0 "[ . 1 . 2]" 1
1703 1 82 ALA H 1 86 PHE QE . . 5.500 5.510 5.475 5.532 0.032 13 0 "[ . 1 . 2]" 1
1704 1 83 LYS HA 1 86 PHE QE . . 5.440 4.933 4.707 5.434 . 0 0 "[ . 1 . 2]" 1
1705 1 60 LEU HB2 1 86 PHE QE . . 4.150 2.602 2.497 2.971 . 0 0 "[ . 1 . 2]" 1
1706 1 79 ILE MD 1 86 PHE QE . . 4.110 3.015 2.843 3.158 . 0 0 "[ . 1 . 2]" 1
1707 1 83 LYS H 1 86 PHE QE . . 4.020 2.954 2.660 3.447 . 0 0 "[ . 1 . 2]" 1
1708 1 60 LEU HG 1 86 PHE QE . . 5.190 5.216 5.194 5.244 0.054 15 0 "[ . 1 . 2]" 1
1709 1 83 LYS HG3 1 86 PHE QE . . 4.170 2.522 2.069 3.053 . 0 0 "[ . 1 . 2]" 1
1710 1 79 ILE MG 1 86 PHE QE . . 3.570 1.957 1.946 1.978 . 0 0 "[ . 1 . 2]" 1
1711 1 66 PHE QD 1 74 THR H . . 5.330 4.790 4.311 5.098 . 0 0 "[ . 1 . 2]" 1
1712 1 45 PHE QE 1 49 TRP HA . . 5.500 5.407 4.809 5.506 0.006 14 0 "[ . 1 . 2]" 1
1713 1 43 LYS HE2 1 45 PHE QE . . 5.500 4.611 3.861 5.228 . 0 0 "[ . 1 . 2]" 1
1714 1 43 LYS HE3 1 45 PHE QE . . 5.500 4.317 3.984 5.088 . 0 0 "[ . 1 . 2]" 1
1715 1 45 PHE QE 1 93 GLU HB2 . . 4.380 3.162 2.606 3.455 . 0 0 "[ . 1 . 2]" 1
1716 1 43 LYS QD 1 45 PHE QE . . 4.420 4.079 3.848 4.268 . 0 0 "[ . 1 . 2]" 1
1717 1 45 PHE QD 1 49 TRP HA . . 4.860 4.654 3.861 4.847 . 0 0 "[ . 1 . 2]" 1
1718 1 45 PHE QD 1 93 GLU HB2 . . 4.550 3.577 3.158 3.920 . 0 0 "[ . 1 . 2]" 1
1719 1 43 LYS QD 1 45 PHE QD . . 5.430 5.143 4.951 5.330 . 0 0 "[ . 1 . 2]" 1
1720 1 43 LYS HB3 1 45 PHE QD . . 4.290 3.586 3.367 3.885 . 0 0 "[ . 1 . 2]" 1
1721 1 45 PHE QE 1 93 GLU HB3 . . 5.060 4.524 3.925 4.958 . 0 0 "[ . 1 . 2]" 1
1722 1 93 GLU HG3 1 100 PHE QE . . 4.610 4.259 2.916 4.613 0.003 3 0 "[ . 1 . 2]" 1
1723 1 93 GLU HB3 1 100 PHE QE . . 3.640 2.514 1.995 3.087 . 0 0 "[ . 1 . 2]" 1
1724 1 66 PHE QE 1 73 TYR QE . . 4.240 2.774 2.128 3.298 . 0 0 "[ . 1 . 2]" 1
1725 1 79 ILE HB 1 86 PHE QD . . 4.580 4.308 4.135 4.426 . 0 0 "[ . 1 . 2]" 1
1726 1 79 ILE HG12 1 86 PHE QD . . 4.780 4.168 3.953 4.414 . 0 0 "[ . 1 . 2]" 1
1727 1 27 PHE HA 1 27 PHE QE . . 5.010 4.734 4.659 4.815 . 0 0 "[ . 1 . 2]" 1
1728 1 27 PHE QE 1 107 LEU MD2 . . 4.850 2.718 2.077 4.013 . 0 0 "[ . 1 . 2]" 1
1729 1 27 PHE QE 1 107 LEU MD1 . . 4.850 4.243 2.460 4.782 . 0 0 "[ . 1 . 2]" 1
1730 1 25 ILE HG12 1 27 PHE QE . . 4.850 3.450 3.090 3.660 . 0 0 "[ . 1 . 2]" 1
1731 1 31 VAL HB 1 75 PHE QE . . 3.880 2.983 2.605 3.685 . 0 0 "[ . 1 . 2]" 1
1732 1 40 PRO HB2 1 75 PHE QE . . 4.630 3.670 3.031 4.133 . 0 0 "[ . 1 . 2]" 1
1733 1 42 ILE MG 1 75 PHE QE . . 4.080 3.582 3.144 3.823 . 0 0 "[ . 1 . 2]" 1
1734 1 66 PHE QE 1 68 ARG HG3 . . 4.400 4.246 4.099 4.416 0.016 13 0 "[ . 1 . 2]" 1
1735 1 82 ALA H 1 86 PHE QD . . 5.500 5.474 5.335 5.519 0.019 13 0 "[ . 1 . 2]" 1
1736 1 86 PHE QD 1 90 TYR HH . . 5.110 3.562 3.060 3.810 . 0 0 "[ . 1 . 2]" 1
1737 1 83 LYS H 1 86 PHE QD . . 3.490 2.538 2.315 2.949 . 0 0 "[ . 1 . 2]" 1
1738 1 86 PHE HA 1 86 PHE QD . . 3.390 2.999 2.722 3.109 . 0 0 "[ . 1 . 2]" 1
1739 1 82 ALA HA 1 86 PHE QD . . 3.350 3.312 3.165 3.352 0.002 2 0 "[ . 1 . 2]" 1
1740 1 83 LYS HB2 1 86 PHE QD . . 4.350 2.303 2.082 2.539 . 0 0 "[ . 1 . 2]" 1
1741 1 79 ILE HG13 1 86 PHE QD . . 5.500 4.683 4.538 4.795 . 0 0 "[ . 1 . 2]" 1
1742 1 83 LYS HD3 1 86 PHE QD . . 5.500 4.958 4.817 5.147 . 0 0 "[ . 1 . 2]" 1
1743 1 79 ILE MG 1 86 PHE QD . . 3.180 1.925 1.788 2.034 . 0 0 "[ . 1 . 2]" 1
1744 1 73 TYR HB3 1 75 PHE QE . . 4.340 2.728 2.271 3.240 . 0 0 "[ . 1 . 2]" 1
1745 1 42 ILE MD 1 75 PHE QE . . 4.290 3.875 3.488 4.276 . 0 0 "[ . 1 . 2]" 1
1746 1 59 HIS HB2 1 86 PHE HZ . . 4.280 3.228 2.635 3.792 . 0 0 "[ . 1 . 2]" 1
1747 1 59 HIS HB3 1 86 PHE HZ . . 4.280 2.896 2.366 3.227 . 0 0 "[ . 1 . 2]" 1
1748 1 43 LYS HB3 1 45 PHE HZ . . 4.680 4.192 3.888 4.491 . 0 0 "[ . 1 . 2]" 1
1749 1 43 LYS HB2 1 45 PHE HZ . . 5.060 4.879 4.715 5.070 0.010 14 0 "[ . 1 . 2]" 1
1750 1 93 GLU HB3 1 100 PHE HZ . . 4.380 3.816 2.904 4.392 0.012 13 0 "[ . 1 . 2]" 1
1751 1 44 TRP HD1 1 62 LEU HB3 . . 4.730 3.942 3.695 4.202 . 0 0 "[ . 1 . 2]" 1
1752 1 44 TRP HD1 1 53 ALA MB . . 5.060 4.334 3.901 4.618 . 0 0 "[ . 1 . 2]" 1
1753 1 27 PHE HZ 1 77 MET ME . . 5.280 3.759 3.456 4.222 . 0 0 "[ . 1 . 2]" 1
1754 1 44 TRP HE3 1 105 PHE HZ . . 4.570 2.348 1.999 3.370 . 0 0 "[ . 1 . 2]" 1
1755 1 44 TRP H 1 44 TRP HD1 . . 4.350 2.199 2.047 2.570 . 0 0 "[ . 1 . 2]" 1
1756 1 77 MET ME 1 105 PHE HZ . . 4.350 2.669 1.916 3.371 . 0 0 "[ . 1 . 2]" 1
1757 1 40 PRO HB3 1 75 PHE HZ . . 4.950 4.791 4.384 4.963 0.013 4 0 "[ . 1 . 2]" 1
1758 1 49 TRP H 1 49 TRP HD1 . . 4.740 2.659 2.183 3.407 . 0 0 "[ . 1 . 2]" 1
1759 1 48 LYS HB3 1 49 TRP HD1 . . 4.470 2.453 2.003 3.060 . 0 0 "[ . 1 . 2]" 1
1760 1 48 LYS HB2 1 49 TRP HD1 . . 4.470 3.788 2.445 4.477 0.007 7 0 "[ . 1 . 2]" 1
1761 1 40 PRO HA 1 41 THR H . . 3.270 2.261 2.151 2.458 . 0 0 "[ . 1 . 2]" 1
1762 1 40 PRO HA 1 96 TYR QD . . 3.270 2.693 2.330 2.961 . 0 0 "[ . 1 . 2]" 1
1763 1 40 PRO HA 1 96 TYR QB . . 4.530 4.026 3.631 4.529 . 0 0 "[ . 1 . 2]" 1
1764 1 14 PRO HB2 1 44 TRP HH2 . . 4.580 4.167 3.433 4.561 . 0 0 "[ . 1 . 2]" 1
1765 1 18 THR HA 1 19 VAL H . . 2.900 2.144 2.142 2.152 . 0 0 "[ . 1 . 2]" 1
1766 1 18 THR HA 1 108 GLU H . . 3.270 2.454 2.321 2.635 . 0 0 "[ . 1 . 2]" 1
1767 1 18 THR HA 1 109 VAL HA . . 4.490 4.262 4.087 4.445 . 0 0 "[ . 1 . 2]" 1
1768 1 18 THR HA 1 19 VAL HA . . 4.590 4.399 4.396 4.405 . 0 0 "[ . 1 . 2]" 1
1769 1 18 THR HA 1 108 GLU HB2 . . 3.670 2.756 2.592 2.993 . 0 0 "[ . 1 . 2]" 1
1770 1 18 THR HA 1 107 LEU HG . . 5.500 5.332 4.249 5.507 0.007 6 0 "[ . 1 . 2]" 1
1771 1 18 THR HA 1 110 HIS H . . 5.380 5.300 5.181 5.374 . 0 0 "[ . 1 . 2]" 1
1772 1 18 THR HA 1 108 GLU HG3 . . 5.500 5.086 4.806 5.463 . 0 0 "[ . 1 . 2]" 1
1773 1 109 VAL HA 1 110 HIS H . . 2.820 2.141 2.140 2.145 . 0 0 "[ . 1 . 2]" 1
1774 1 19 VAL H 1 109 VAL HA . . 3.490 3.173 2.969 3.337 . 0 0 "[ . 1 . 2]" 1
1775 1 109 VAL HA 1 110 HIS HB2 . . 4.560 4.496 4.426 4.543 . 0 0 "[ . 1 . 2]" 1
1776 1 109 VAL HA 1 109 VAL MG2 . . 3.040 2.496 2.423 2.537 . 0 0 "[ . 1 . 2]" 1
1777 1 28 ILE HA 1 29 ALA H . . 2.940 2.188 2.146 2.252 . 0 0 "[ . 1 . 2]" 1
1778 1 28 ILE HA 1 44 TRP HH2 . . 4.850 4.643 4.401 4.851 0.001 10 0 "[ . 1 . 2]" 1
1779 1 28 ILE HA 1 76 GLU HA . . 3.540 3.127 3.017 3.208 . 0 0 "[ . 1 . 2]" 1
1780 1 28 ILE HA 1 74 THR MG . . 4.360 4.061 3.830 4.231 . 0 0 "[ . 1 . 2]" 1
1781 1 28 ILE HA 1 28 ILE HG13 . . 3.760 3.681 3.668 3.706 . 0 0 "[ . 1 . 2]" 1
1782 1 28 ILE HA 1 75 PHE H . . 5.500 5.418 5.149 5.538 0.038 11 0 "[ . 1 . 2]" 1
1783 1 28 ILE HA 1 29 ALA MB . . 4.020 3.880 3.777 3.981 . 0 0 "[ . 1 . 2]" 1
1784 1 33 ALA H 1 73 TYR QE . . 5.500 5.207 4.731 5.520 0.020 4 0 "[ . 1 . 2]" 1
1785 1 94 VAL H 1 102 SER HA . . 4.560 3.288 2.924 3.863 . 0 0 "[ . 1 . 2]" 1
1786 1 93 GLU HA 1 102 SER HA . . 4.250 2.816 2.525 3.194 . 0 0 "[ . 1 . 2]" 1
1787 1 66 PHE QD 1 73 TYR QE . . 4.230 3.026 2.804 3.316 . 0 0 "[ . 1 . 2]" 1
1788 1 40 PRO HD3 1 73 TYR QE . . 4.470 3.351 2.970 4.145 . 0 0 "[ . 1 . 2]" 1
1789 1 66 PHE QB 1 73 TYR QE . . 3.810 2.381 1.991 2.780 . 0 0 "[ . 1 . 2]" 1
1790 1 39 LYS HB2 1 73 TYR QE . . 4.820 3.455 2.660 4.516 . 0 0 "[ . 1 . 2]" 1
1791 1 75 PHE HA 1 76 GLU H . . 2.930 2.188 2.146 2.262 . 0 0 "[ . 1 . 2]" 1
1792 1 65 THR H 1 75 PHE HA . . 4.350 3.220 3.040 3.399 . 0 0 "[ . 1 . 2]" 1
1793 1 75 PHE HA 1 75 PHE QD . . 3.430 2.649 2.259 3.149 . 0 0 "[ . 1 . 2]" 1
1794 1 75 PHE HA 1 75 PHE QE . . 4.950 4.691 4.527 4.847 . 0 0 "[ . 1 . 2]" 1
1795 1 64 GLU QG 1 75 PHE HA . . 4.550 4.026 3.904 4.160 . 0 0 "[ . 1 . 2]" 1
1796 1 64 GLU HB3 1 75 PHE HA . . 5.090 4.910 4.740 5.033 . 0 0 "[ . 1 . 2]" 1
1797 1 75 PHE HA 1 76 GLU QG . . 4.390 3.554 3.312 4.140 . 0 0 "[ . 1 . 2]" 1
1798 1 63 LYS HB3 1 75 PHE HA . . 4.420 4.265 4.087 4.384 . 0 0 "[ . 1 . 2]" 1
1799 1 96 TYR QE 1 97 LYS HG2 . . 4.620 3.306 2.386 4.651 0.031 4 0 "[ . 1 . 2]" 1
1800 1 96 TYR QE 1 97 LYS HG3 . . 4.620 3.731 3.387 4.158 . 0 0 "[ . 1 . 2]" 1
1801 1 40 PRO HA 1 96 TYR QE . . 4.760 4.358 3.861 4.712 . 0 0 "[ . 1 . 2]" 1
1802 1 40 PRO HD3 1 96 TYR QE . . 4.190 2.418 1.995 2.821 . 0 0 "[ . 1 . 2]" 1
1803 1 40 PRO HD2 1 96 TYR QE . . 4.820 4.021 3.592 4.418 . 0 0 "[ . 1 . 2]" 1
1804 1 40 PRO HB3 1 96 TYR QE . . 4.180 3.963 3.593 4.192 0.012 17 0 "[ . 1 . 2]" 1
1805 1 40 PRO HG3 1 96 TYR QE . . 4.700 4.133 3.844 4.421 . 0 0 "[ . 1 . 2]" 1
1806 1 100 PHE HA 1 101 ASP H . . 3.210 2.191 2.138 2.482 . 0 0 "[ . 1 . 2]" 1
1807 1 95 THR HA 1 100 PHE HA . . 3.740 2.637 2.207 3.818 0.078 13 0 "[ . 1 . 2]" 1
1808 1 59 HIS HA 1 80 ILE H . . 4.360 4.173 3.962 4.328 . 0 0 "[ . 1 . 2]" 1
1809 1 59 HIS HA 1 80 ILE HB . . 3.180 2.577 2.469 2.658 . 0 0 "[ . 1 . 2]" 1
1810 1 45 PHE HA 1 52 LEU H . . 4.030 2.302 1.955 2.684 . 0 0 "[ . 1 . 2]" 1
1811 1 45 PHE HA 1 46 LYS H . . 3.170 2.382 2.247 2.548 . 0 0 "[ . 1 . 2]" 1
1812 1 45 PHE HA 1 52 LEU HB2 . . 4.510 3.827 3.417 4.332 . 0 0 "[ . 1 . 2]" 1
1813 1 45 PHE HA 1 45 PHE QD . . 3.940 2.764 2.620 2.939 . 0 0 "[ . 1 . 2]" 1
1814 1 45 PHE HA 1 51 ASP HA . . 3.780 2.530 2.260 3.023 . 0 0 "[ . 1 . 2]" 1
1815 1 45 PHE HA 1 52 LEU HG . . 3.740 2.709 2.487 2.839 . 0 0 "[ . 1 . 2]" 1
1816 1 45 PHE HA 1 52 LEU MD1 . . 4.240 3.625 3.285 4.168 . 0 0 "[ . 1 . 2]" 1
1817 1 30 LYS HA 1 75 PHE H . . 4.200 3.035 2.391 3.501 . 0 0 "[ . 1 . 2]" 1
1818 1 30 LYS HA 1 31 VAL H . . 3.180 2.331 2.205 2.471 . 0 0 "[ . 1 . 2]" 1
1819 1 30 LYS HA 1 74 THR HA . . 3.740 2.401 2.243 2.721 . 0 0 "[ . 1 . 2]" 1
1820 1 30 LYS HA 1 31 VAL HB . . 4.690 4.423 4.168 4.709 0.019 17 0 "[ . 1 . 2]" 1
1821 1 30 LYS HA 1 30 LYS HG3 . . 3.960 2.642 2.352 3.690 . 0 0 "[ . 1 . 2]" 1
1822 1 29 ALA MB 1 30 LYS HA . . 4.470 4.140 4.069 4.215 . 0 0 "[ . 1 . 2]" 1
1823 1 30 LYS HA 1 30 LYS QD . . 4.770 4.071 2.406 4.567 . 0 0 "[ . 1 . 2]" 1
1824 1 30 LYS HA 1 30 LYS HG2 . . 3.960 2.971 2.720 3.725 . 0 0 "[ . 1 . 2]" 1
1825 1 44 TRP HA 1 45 PHE H . . 3.140 2.177 2.141 2.255 . 0 0 "[ . 1 . 2]" 1
1826 1 44 TRP HA 1 93 GLU H . . 4.170 3.940 3.524 4.194 0.024 4 0 "[ . 1 . 2]" 1
1827 1 44 TRP HA 1 44 TRP HE3 . . 4.260 3.511 3.376 3.660 . 0 0 "[ . 1 . 2]" 1
1828 1 64 GLU HA 1 76 GLU H . . 4.000 3.286 3.118 3.392 . 0 0 "[ . 1 . 2]" 1
1829 1 64 GLU HA 1 75 PHE HB3 . . 4.740 3.587 3.352 3.821 . 0 0 "[ . 1 . 2]" 1
1830 1 60 LEU HA 1 61 GLN H . . 2.900 2.240 2.217 2.257 . 0 0 "[ . 1 . 2]" 1
1831 1 60 LEU HA 1 80 ILE H . . 4.020 2.374 2.183 2.471 . 0 0 "[ . 1 . 2]" 1
1832 1 60 LEU HA 1 79 ILE HA . . 3.640 2.457 2.348 2.519 . 0 0 "[ . 1 . 2]" 1
1833 1 60 LEU HA 1 61 GLN HB2 . . 4.510 4.417 4.349 4.490 . 0 0 "[ . 1 . 2]" 1
1834 1 60 LEU HA 1 60 LEU MD2 . . 4.010 3.963 3.553 4.005 . 0 0 "[ . 1 . 2]" 1
1835 1 91 ARG HA 1 92 CYS H . . 3.280 2.200 2.141 2.348 . 0 0 "[ . 1 . 2]" 1
1836 1 91 ARG HA 1 104 SER HA . . 3.530 2.260 1.999 2.511 . 0 0 "[ . 1 . 2]" 1
1837 1 88 GLY H 1 90 TYR QE . . 4.100 3.099 2.457 4.101 0.001 15 0 "[ . 1 . 2]" 1
1838 1 90 TYR QE 1 107 LEU HB3 . . 3.720 2.149 1.994 3.180 . 0 0 "[ . 1 . 2]" 1
1839 1 87 ALA MB 1 90 TYR QE . . 5.040 4.874 4.717 5.025 . 0 0 "[ . 1 . 2]" 1
1840 1 44 TRP HZ2 1 76 GLU HA . . 4.350 3.218 3.094 3.333 . 0 0 "[ . 1 . 2]" 1
1841 1 76 GLU HA 1 76 GLU QG . . 3.530 2.582 2.400 2.640 . 0 0 "[ . 1 . 2]" 1
1842 1 28 ILE MD 1 76 GLU HA . . 3.940 3.667 3.391 3.838 . 0 0 "[ . 1 . 2]" 1
1843 1 89 ASN HA 1 90 TYR H . . 2.940 2.157 2.139 2.230 . 0 0 "[ . 1 . 2]" 1
1844 1 89 ASN HA 1 89 ASN HD21 . . 3.600 2.162 1.971 2.459 . 0 0 "[ . 1 . 2]" 1
1845 1 89 ASN HA 1 90 TYR QD . . 4.030 3.283 3.079 3.816 . 0 0 "[ . 1 . 2]" 1
1846 1 89 ASN HA 1 90 TYR HB2 . . 4.580 4.366 4.292 4.430 . 0 0 "[ . 1 . 2]" 1
1847 1 106 ASP HA 1 107 LEU H . . 2.890 2.174 2.143 2.284 . 0 0 "[ . 1 . 2]" 1
1848 1 89 ASN HA 1 106 ASP HA . . 3.290 2.614 2.257 2.870 . 0 0 "[ . 1 . 2]" 1
1849 1 61 GLN HB3 1 62 LEU HA . . 5.040 4.825 4.746 4.964 . 0 0 "[ . 1 . 2]" 1
1850 1 62 LEU HA 1 62 LEU HG . . 3.680 3.290 3.243 3.325 . 0 0 "[ . 1 . 2]" 1
1851 1 60 LEU HG 1 62 LEU HA . . 5.500 4.745 4.654 4.803 . 0 0 "[ . 1 . 2]" 1
1852 1 62 LEU HA 1 63 LYS QG . . 5.500 5.601 5.459 5.735 0.235 19 0 "[ . 1 . 2]" 1
1853 1 107 LEU HA 1 108 GLU H . . 2.930 2.177 2.142 2.358 . 0 0 "[ . 1 . 2]" 1
1854 1 27 PHE QE 1 107 LEU HA . . 4.810 4.300 4.046 4.657 . 0 0 "[ . 1 . 2]" 1
1855 1 27 PHE HZ 1 107 LEU HA . . 5.260 4.528 4.180 4.710 . 0 0 "[ . 1 . 2]" 1
1856 1 107 LEU HA 1 108 GLU HB2 . . 4.380 4.284 4.170 4.412 0.032 18 0 "[ . 1 . 2]" 1
1857 1 107 LEU HA 1 107 LEU MD1 . . 4.050 3.195 2.277 3.804 . 0 0 "[ . 1 . 2]" 1
1858 1 24 ASP HA 1 81 LYS HA . . 5.500 5.236 5.086 5.432 . 0 0 "[ . 1 . 2]" 1
1859 1 44 TRP HZ2 1 75 PHE QD . . 5.050 4.906 4.567 5.053 0.003 14 0 "[ . 1 . 2]" 1
1860 1 44 TRP HZ2 1 75 PHE HB2 . . 4.240 3.165 2.817 3.347 . 0 0 "[ . 1 . 2]" 1
1861 1 24 ASP HA 1 81 LYS H . . 4.030 3.599 3.445 3.814 . 0 0 "[ . 1 . 2]" 1
1862 1 24 ASP HA 1 79 ILE H . . 4.850 4.490 4.184 4.695 . 0 0 "[ . 1 . 2]" 1
1863 1 24 ASP HA 1 25 ILE H . . 2.910 2.149 2.139 2.206 . 0 0 "[ . 1 . 2]" 1
1864 1 23 GLU HA 1 24 ASP HA . . 4.520 4.471 4.433 4.492 . 0 0 "[ . 1 . 2]" 1
1865 1 24 ASP HA 1 25 ILE HA . . 4.510 4.397 4.392 4.418 . 0 0 "[ . 1 . 2]" 1
1866 1 24 ASP HA 1 80 ILE HA . . 3.550 2.880 2.660 3.043 . 0 0 "[ . 1 . 2]" 1
1867 1 29 ALA H 1 44 TRP HZ2 . . 5.170 4.901 4.364 5.169 . 0 0 "[ . 1 . 2]" 1
1868 1 42 ILE MG 1 44 TRP HZ2 . . 4.730 3.862 3.353 4.582 . 0 0 "[ . 1 . 2]" 1
1869 1 59 HIS HE1 1 81 LYS HG3 . . 4.560 4.426 3.730 4.569 0.009 17 0 "[ . 1 . 2]" 1
1870 1 59 HIS HE1 1 81 LYS HD3 . . 4.720 3.875 3.511 4.134 . 0 0 "[ . 1 . 2]" 1
1871 1 18 THR MG 1 110 HIS HE1 . . 3.450 3.407 3.301 3.457 0.007 13 0 "[ . 1 . 2]" 1
1872 1 11 ILE QG 1 11 ILE MG . . 2.890 2.189 2.058 2.379 . 0 0 "[ . 1 . 2]" 1
1873 1 80 ILE MG 1 81 LYS HG2 . . 3.130 2.987 2.851 3.132 0.002 3 0 "[ . 1 . 2]" 1
1874 1 19 VAL HB 1 25 ILE HB . . 3.930 2.137 1.996 2.287 . 0 0 "[ . 1 . 2]" 1
1875 1 77 MET ME 1 79 ILE MD . . 2.690 2.218 2.027 2.471 . 0 0 "[ . 1 . 2]" 1
1876 1 28 ILE HB 1 28 ILE MD . . 3.360 3.227 3.218 3.231 . 0 0 "[ . 1 . 2]" 1
1877 1 28 ILE MD 1 74 THR MG . . 3.250 3.039 2.852 3.197 . 0 0 "[ . 1 . 2]" 1
1878 1 50 MET ME 1 55 LYS HE2 . . 3.510 2.970 2.003 3.503 . 0 0 "[ . 1 . 2]" 1
1879 1 50 MET ME 1 55 LYS HE3 . . 3.510 2.628 1.941 3.503 . 0 0 "[ . 1 . 2]" 1
1880 1 122 GLY QA 1 123 PRO QD . . 2.560 1.969 1.852 2.085 . 0 0 "[ . 1 . 2]" 1
1881 1 116 THR HA 1 116 THR MG . . 3.190 2.278 2.165 2.427 . 0 0 "[ . 1 . 2]" 1
1882 1 116 THR HA 1 117 PRO HD2 . . 2.810 2.278 2.190 2.382 . 0 0 "[ . 1 . 2]" 1
1883 1 19 VAL MG2 1 23 GLU HA . . 4.400 4.130 4.049 4.290 . 0 0 "[ . 1 . 2]" 1
1884 1 23 GLU HA 1 23 GLU HG3 . . 3.510 2.855 2.309 3.543 0.033 6 0 "[ . 1 . 2]" 1
1885 1 23 GLU HA 1 23 GLU HG2 . . 3.510 2.900 2.255 3.631 0.121 11 0 "[ . 1 . 2]" 1
1886 1 23 GLU HA 1 81 LYS HA . . 4.940 4.741 4.590 4.924 . 0 0 "[ . 1 . 2]" 1
1887 1 61 GLN HA 1 62 LEU MD1 . . 5.150 5.026 4.928 5.074 . 0 0 "[ . 1 . 2]" 1
1888 1 56 ALA MB 1 61 GLN HA . . 3.500 2.927 2.589 3.093 . 0 0 "[ . 1 . 2]" 1
1889 1 61 GLN HA 1 61 GLN HG2 . . 3.590 2.793 2.752 2.830 . 0 0 "[ . 1 . 2]" 1
1890 1 14 PRO HD2 1 29 ALA HA . . 5.420 4.691 4.224 5.136 . 0 0 "[ . 1 . 2]" 1
1891 1 14 PRO HD3 1 29 ALA HA . . 5.420 3.064 2.581 3.452 . 0 0 "[ . 1 . 2]" 1
1892 1 14 PRO QG 1 29 ALA HA . . 4.850 4.518 3.785 4.854 0.004 5 0 "[ . 1 . 2]" 1
1893 1 28 ILE HB 1 29 ALA HA . . 5.400 4.737 4.662 4.828 . 0 0 "[ . 1 . 2]" 1
1894 1 29 ALA HA 1 30 LYS QB . . 4.300 4.229 4.077 4.334 0.034 7 0 "[ . 1 . 2]" 1
1895 1 13 LYS HA 1 29 ALA HA . . 4.470 3.853 3.160 4.453 . 0 0 "[ . 1 . 2]" 1
1896 1 39 LYS HA 1 40 PRO HD2 . . 3.120 1.994 1.932 2.049 . 0 0 "[ . 1 . 2]" 1
1897 1 39 LYS HA 1 40 PRO HD3 . . 3.050 2.316 2.277 2.394 . 0 0 "[ . 1 . 2]" 1
1898 1 110 HIS HA 1 110 HIS HD2 . . 3.720 2.722 2.640 2.789 . 0 0 "[ . 1 . 2]" 1
1899 1 39 LYS HA 1 96 TYR QE . . 4.000 3.440 3.121 3.819 . 0 0 "[ . 1 . 2]" 1
1900 1 74 THR HA 1 74 THR MG . . 3.450 2.343 2.166 2.460 . 0 0 "[ . 1 . 2]" 1
1901 1 14 PRO HA 1 15 GLN H . . 2.840 2.241 2.153 2.379 . 0 0 "[ . 1 . 2]" 1
1902 1 14 PRO HA 1 27 PHE QB . . 4.170 3.631 2.782 4.187 0.017 20 0 "[ . 1 . 2]" 1
1903 1 95 THR HA 1 96 TYR H . . 3.160 2.209 2.142 2.523 . 0 0 "[ . 1 . 2]" 1
1904 1 103 CYS HA 1 104 SER H . . 3.380 2.330 2.147 2.605 . 0 0 "[ . 1 . 2]" 1
1905 1 27 PHE HA 1 28 ILE H . . 3.010 2.263 2.172 2.343 . 0 0 "[ . 1 . 2]" 1
1906 1 27 PHE HA 1 27 PHE QD . . 3.450 3.018 2.837 3.173 . 0 0 "[ . 1 . 2]" 1
1907 1 90 TYR HA 1 91 ARG H . . 3.360 2.313 2.144 2.475 . 0 0 "[ . 1 . 2]" 1
1908 1 47 GLY H 1 90 TYR HA . . 3.740 3.656 3.370 3.759 0.019 15 0 "[ . 1 . 2]" 1
1909 1 49 TRP HA 1 49 TRP HE3 . . 4.160 3.246 2.674 3.696 . 0 0 "[ . 1 . 2]" 1
1910 1 49 TRP HA 1 49 TRP HD1 . . 4.540 4.308 4.067 4.569 0.029 18 0 "[ . 1 . 2]" 1
1911 1 46 LYS HA 1 90 TYR HA . . 3.290 2.329 2.087 2.635 . 0 0 "[ . 1 . 2]" 1
1912 1 23 GLU HA 1 24 ASP H . . 2.950 2.614 2.541 2.647 . 0 0 "[ . 1 . 2]" 1
1913 1 23 GLU HA 1 81 LYS H . . 5.170 4.641 4.562 4.828 . 0 0 "[ . 1 . 2]" 1
1914 1 35 ASP HA 1 36 LEU H . . 3.310 2.298 2.139 2.484 . 0 0 "[ . 1 . 2]" 1
1915 1 29 ALA HA 1 30 LYS H . . 3.480 2.146 2.141 2.164 . 0 0 "[ . 1 . 2]" 1
1916 1 30 LYS QB 1 30 LYS QE . . 4.550 2.332 1.912 3.356 . 0 0 "[ . 1 . 2]" 1
1917 1 30 LYS QB 1 31 VAL H . . 4.700 2.652 2.256 3.070 . 0 0 "[ . 1 . 2]" 1
1918 1 19 VAL MG2 1 25 ILE HG12 . . 4.930 4.757 4.556 4.950 0.020 17 0 "[ . 1 . 2]" 1
1919 1 19 VAL MG2 1 109 VAL HA . . 5.180 4.964 4.881 5.068 . 0 0 "[ . 1 . 2]" 1
1920 1 19 VAL MG2 1 24 ASP HA . . 3.880 3.454 3.278 3.613 . 0 0 "[ . 1 . 2]" 1
1921 1 19 VAL MG2 1 25 ILE HA . . 3.980 3.624 3.449 3.794 . 0 0 "[ . 1 . 2]" 1
1922 1 19 VAL MG1 1 20 LYS H . . 3.830 3.757 3.677 3.833 0.003 17 0 "[ . 1 . 2]" 1
1923 1 19 VAL MG1 1 21 VAL H . . 5.470 5.110 4.994 5.246 . 0 0 "[ . 1 . 2]" 1
1924 1 19 VAL MG1 1 82 ALA H . . 4.470 4.200 4.079 4.343 . 0 0 "[ . 1 . 2]" 1
1925 1 18 THR HA 1 19 VAL MG1 . . 3.910 3.785 3.711 3.856 . 0 0 "[ . 1 . 2]" 1
1926 1 94 VAL MG2 1 95 THR H . . 5.500 3.595 2.316 4.246 . 0 0 "[ . 1 . 2]" 1
1927 1 32 LYS HB3 1 33 ALA H . . 4.620 4.106 3.937 4.242 . 0 0 "[ . 1 . 2]" 1
1928 1 96 TYR QD 1 97 LYS HD2 . . 4.680 4.176 3.106 4.696 0.016 5 0 "[ . 1 . 2]" 1
1929 1 96 TYR QD 1 97 LYS HD3 . . 4.680 3.384 2.970 4.706 0.026 4 0 "[ . 1 . 2]" 1
1930 1 97 LYS HD2 1 98 ASP H . . 5.270 4.928 4.486 5.320 0.050 13 0 "[ . 1 . 2]" 1
1931 1 96 TYR QD 1 97 LYS HA . . 4.760 4.732 4.599 4.857 0.097 19 0 "[ . 1 . 2]" 1
1932 1 96 TYR QB 1 97 LYS HA . . 5.500 4.841 4.381 5.163 . 0 0 "[ . 1 . 2]" 1
1933 1 97 LYS HA 1 97 LYS HG2 . . 3.910 3.293 2.678 3.594 . 0 0 "[ . 1 . 2]" 1
1934 1 97 LYS HA 1 97 LYS HG3 . . 3.910 3.444 2.738 3.876 . 0 0 "[ . 1 . 2]" 1
1935 1 97 LYS HG3 1 98 ASP H . . 4.880 4.500 4.207 4.882 0.002 9 0 "[ . 1 . 2]" 1
1936 1 97 LYS H 1 97 LYS HG3 . . 4.370 3.022 1.937 3.488 . 0 0 "[ . 1 . 2]" 1
1937 1 97 LYS HG2 1 98 ASP H . . 4.880 3.979 3.393 4.713 . 0 0 "[ . 1 . 2]" 1
1938 1 90 TYR QE 1 107 LEU HG . . 4.840 3.622 2.919 4.714 . 0 0 "[ . 1 . 2]" 1
1939 1 30 LYS QE 1 75 PHE H . . 5.500 5.219 4.791 5.509 0.009 8 0 "[ . 1 . 2]" 1
1940 1 89 ASN HD21 1 106 ASP HA . . 4.720 3.266 2.961 3.584 . 0 0 "[ . 1 . 2]" 1
1941 1 90 TYR QD 1 106 ASP HA . . 4.090 3.637 3.212 3.809 . 0 0 "[ . 1 . 2]" 1
1942 1 59 HIS H 1 59 HIS HD2 . . 5.340 3.154 2.437 3.860 . 0 0 "[ . 1 . 2]" 1
1943 1 67 GLU HB3 1 69 HIS HE1 . . 5.500 4.765 3.650 5.509 0.009 13 0 "[ . 1 . 2]" 1
1944 1 68 ARG QD 1 69 HIS HE1 . . 4.960 4.409 3.555 4.970 0.010 7 0 "[ . 1 . 2]" 1
1945 1 96 TYR QE 1 97 LYS H . . 5.180 3.640 3.293 5.048 . 0 0 "[ . 1 . 2]" 1
1946 1 95 THR H 1 95 THR HB . . 3.740 2.890 2.574 3.692 . 0 0 "[ . 1 . 2]" 1
1947 1 68 ARG HG3 1 69 HIS H . . 4.900 3.821 3.525 3.986 . 0 0 "[ . 1 . 2]" 1
1948 1 66 PHE QD 1 68 ARG HG3 . . 5.500 5.318 5.190 5.512 0.012 13 0 "[ . 1 . 2]" 1
1949 1 33 ALA H 1 71 ARG HB2 . . 5.100 4.483 3.974 5.059 . 0 0 "[ . 1 . 2]" 1
1950 1 8 ILE HA 1 8 ILE MD . . 4.380 3.556 2.004 4.174 . 0 0 "[ . 1 . 2]" 1
1951 1 119 ILE HA 1 119 ILE MD . . 4.580 3.546 1.981 3.890 . 0 0 "[ . 1 . 2]" 1
1952 1 16 GLY HA2 1 27 PHE QB . . 5.170 4.777 4.241 5.164 . 0 0 "[ . 1 . 2]" 1
1953 1 17 GLY HA2 1 18 THR HB . . 5.050 4.976 4.810 5.060 0.010 15 0 "[ . 1 . 2]" 1
1954 1 18 THR HA 1 19 VAL HB . . 4.880 4.613 4.532 4.657 . 0 0 "[ . 1 . 2]" 1
1955 1 18 THR HA 1 108 GLU HB3 . . 3.810 3.707 3.496 3.829 0.019 6 0 "[ . 1 . 2]" 1
1956 1 19 VAL MG1 1 82 ALA HA . . 4.790 4.168 3.999 4.401 . 0 0 "[ . 1 . 2]" 1
1957 1 19 VAL MG1 1 21 VAL HA . . 4.620 4.396 4.249 4.580 . 0 0 "[ . 1 . 2]" 1
1958 1 19 VAL MG1 1 25 ILE HA . . 5.320 5.249 5.096 5.325 0.005 5 0 "[ . 1 . 2]" 1
1959 1 32 LYS HB2 1 32 LYS QE . . 4.800 3.964 3.906 4.040 . 0 0 "[ . 1 . 2]" 1
1960 1 32 LYS HB3 1 32 LYS QE . . 4.800 4.288 4.201 4.346 . 0 0 "[ . 1 . 2]" 1
1961 1 22 GLY HA2 1 23 GLU HB2 . . 5.500 5.521 5.501 5.543 0.043 9 0 "[ . 1 . 2]" 1
1962 1 78 GLN HB3 1 78 GLN HE21 . . 4.790 3.083 2.910 3.204 . 0 0 "[ . 1 . 2]" 1
1963 1 77 MET H 1 78 GLN QG . . 5.500 5.556 5.528 5.591 0.091 19 0 "[ . 1 . 2]" 1
1964 1 64 GLU HB3 1 76 GLU H . . 5.500 5.492 5.404 5.563 0.063 14 0 "[ . 1 . 2]" 1
1965 1 64 GLU HB2 1 76 GLU H . . 5.020 4.519 4.401 4.707 . 0 0 "[ . 1 . 2]" 1
1966 1 64 GLU HA 1 75 PHE QD . . 4.050 2.411 1.996 3.209 . 0 0 "[ . 1 . 2]" 1
1967 1 64 GLU HA 1 75 PHE QE . . 5.030 4.278 3.899 4.665 . 0 0 "[ . 1 . 2]" 1
1968 1 93 GLU H 1 93 GLU HG2 . . 4.910 4.306 3.548 4.725 . 0 0 "[ . 1 . 2]" 1
1969 1 93 GLU HG2 1 94 VAL H . . 5.370 4.396 3.962 5.310 . 0 0 "[ . 1 . 2]" 1
1970 1 102 SER QB 1 103 CYS H . . 3.940 2.806 2.243 3.357 . 0 0 "[ . 1 . 2]" 1
1971 1 80 ILE H 1 86 PHE QE . . 5.130 4.480 4.311 4.770 . 0 0 "[ . 1 . 2]" 1
1972 1 83 LYS HB2 1 86 PHE QE . . 4.810 2.683 2.186 3.130 . 0 0 "[ . 1 . 2]" 1
1973 1 79 ILE HG12 1 86 PHE QE . . 5.140 4.122 3.979 4.379 . 0 0 "[ . 1 . 2]" 1
1974 1 40 PRO HD2 1 75 PHE HZ . . 5.220 3.684 3.077 4.111 . 0 0 "[ . 1 . 2]" 1
1975 1 66 PHE HZ 1 67 GLU H . . 5.500 4.948 4.715 5.175 . 0 0 "[ . 1 . 2]" 1
1976 1 45 PHE QD 1 46 LYS H . . 4.830 3.272 3.184 3.397 . 0 0 "[ . 1 . 2]" 1
1977 1 45 PHE QD 1 51 ASP H . . 5.060 4.309 4.056 4.536 . 0 0 "[ . 1 . 2]" 1
1978 1 44 TRP HA 1 45 PHE QE . . 5.500 5.408 5.193 5.524 0.024 18 0 "[ . 1 . 2]" 1
1979 1 45 PHE HA 1 45 PHE QE . . 4.850 4.489 4.439 4.548 . 0 0 "[ . 1 . 2]" 1
1980 1 43 LYS H 1 45 PHE QE . . 5.450 4.960 4.724 5.371 . 0 0 "[ . 1 . 2]" 1
1981 1 45 PHE QE 1 51 ASP H . . 5.500 4.983 4.617 5.278 . 0 0 "[ . 1 . 2]" 1
1982 1 45 PHE QE 1 46 LYS H . . 5.500 5.509 5.464 5.585 0.085 18 0 "[ . 1 . 2]" 1
1983 1 45 PHE QE 1 93 GLU H . . 5.190 4.688 4.049 5.192 0.002 15 0 "[ . 1 . 2]" 1
1984 1 45 PHE H 1 45 PHE QE . . 5.500 5.298 5.075 5.485 . 0 0 "[ . 1 . 2]" 1
1985 1 42 ILE MD 1 44 TRP HD1 . . 5.150 4.685 4.362 5.067 . 0 0 "[ . 1 . 2]" 1
1986 1 42 ILE HG12 1 44 TRP HD1 . . 5.500 3.710 3.385 3.973 . 0 0 "[ . 1 . 2]" 1
1987 1 17 GLY H 1 27 PHE HZ . . 5.360 4.116 3.267 4.710 . 0 0 "[ . 1 . 2]" 1
1988 1 73 TYR H 1 73 TYR QE . . 4.950 4.556 4.298 4.841 . 0 0 "[ . 1 . 2]" 1
1989 1 34 GLU H 1 96 TYR QD . . 5.480 4.966 4.291 5.390 . 0 0 "[ . 1 . 2]" 1
1990 1 39 LYS H 1 96 TYR QD . . 5.500 4.873 4.508 5.321 . 0 0 "[ . 1 . 2]" 1
1991 1 48 LYS QD 1 49 TRP HH2 . . 5.500 5.010 4.257 5.503 0.003 18 0 "[ . 1 . 2]" 1
1992 1 110 HIS H 1 110 HIS HD2 . . 4.850 3.025 2.967 3.119 . 0 0 "[ . 1 . 2]" 1
1993 1 20 LYS QD 1 110 HIS HD2 . . 5.500 5.074 5.043 5.098 . 0 0 "[ . 1 . 2]" 1
1994 1 87 ALA MB 1 110 HIS HD2 . . 5.500 5.020 4.792 5.339 . 0 0 "[ . 1 . 2]" 1
1995 1 18 THR HB 1 110 HIS HD2 . . 5.500 5.313 5.075 5.506 0.006 7 0 "[ . 1 . 2]" 1
1996 1 91 ARG HB2 1 104 SER HA . . 5.390 4.298 3.885 4.688 . 0 0 "[ . 1 . 2]" 1
1997 1 93 GLU H 1 93 GLU HB3 . . 4.180 3.746 3.593 3.881 . 0 0 "[ . 1 . 2]" 1
1998 1 93 GLU HB2 1 100 PHE QE . . 4.710 4.169 3.684 4.649 . 0 0 "[ . 1 . 2]" 1
1999 1 91 ARG H 1 91 ARG HG3 . . 5.010 4.709 4.382 4.868 . 0 0 "[ . 1 . 2]" 1
2000 1 90 TYR HA 1 90 TYR QD . . 3.980 3.000 2.726 3.096 . 0 0 "[ . 1 . 2]" 1
2001 1 44 TRP HA 1 45 PHE QD . . 4.730 3.914 3.625 4.062 . 0 0 "[ . 1 . 2]" 1
2002 1 43 LYS HA 1 44 TRP HA . . 4.710 4.389 4.377 4.396 . 0 0 "[ . 1 . 2]" 1
2003 1 44 TRP HA 1 44 TRP HD1 . . 5.100 4.047 3.945 4.144 . 0 0 "[ . 1 . 2]" 1
2004 1 55 LYS QG 1 56 ALA H . . 5.080 4.039 3.955 4.187 . 0 0 "[ . 1 . 2]" 1
2005 1 52 LEU HA 1 55 LYS HD3 . . 4.910 4.824 4.588 4.938 0.028 15 0 "[ . 1 . 2]" 1
2006 1 55 LYS H 1 55 LYS HD3 . . 4.900 3.769 3.579 4.129 . 0 0 "[ . 1 . 2]" 1
2007 1 50 MET HG3 1 55 LYS HE3 . . 4.500 3.380 2.281 4.530 0.030 8 0 "[ . 1 . 2]" 1
2008 1 50 MET HG2 1 55 LYS HE3 . . 4.500 3.113 1.998 4.157 . 0 0 "[ . 1 . 2]" 1
2009 1 50 MET HG2 1 55 LYS HE2 . . 4.500 2.586 2.017 4.058 . 0 0 "[ . 1 . 2]" 1
2010 1 58 LYS HG2 1 59 HIS H . . 5.280 3.756 2.019 4.597 . 0 0 "[ . 1 . 2]" 1
2011 1 58 LYS HG3 1 59 HIS H . . 5.280 4.142 2.395 5.181 . 0 0 "[ . 1 . 2]" 1
2012 1 58 LYS H 1 58 LYS HG3 . . 4.690 4.149 2.592 4.663 . 0 0 "[ . 1 . 2]" 1
2013 1 83 LYS HG2 1 86 PHE QE . . 4.840 3.915 3.560 4.353 . 0 0 "[ . 1 . 2]" 1
2014 1 57 GLY H 1 60 LEU HB2 . . 5.060 4.697 4.424 4.971 . 0 0 "[ . 1 . 2]" 1
2015 1 62 LEU HA 1 63 LYS HB2 . . 4.780 4.002 3.961 4.063 . 0 0 "[ . 1 . 2]" 1
2016 1 63 LYS HB3 1 76 GLU QG . . 3.900 3.426 3.303 3.671 . 0 0 "[ . 1 . 2]" 1
2017 1 64 GLU HB2 1 75 PHE HA . . 4.210 3.672 3.518 3.823 . 0 0 "[ . 1 . 2]" 1
2018 1 65 THR MG 1 66 PHE QD . . 5.500 5.424 5.273 5.502 0.002 11 0 "[ . 1 . 2]" 1
2019 1 68 ARG HG3 1 69 HIS HE1 . . 5.440 5.109 3.912 5.441 0.001 4 0 "[ . 1 . 2]" 1
2020 1 66 PHE QD 1 68 ARG QD . . 4.520 2.503 2.353 2.812 . 0 0 "[ . 1 . 2]" 1
2021 1 67 GLU H 1 68 ARG QD . . 5.500 4.674 4.467 4.848 . 0 0 "[ . 1 . 2]" 1
2022 1 68 ARG QD 1 69 HIS H . . 4.960 3.909 3.665 4.101 . 0 0 "[ . 1 . 2]" 1
2023 1 66 PHE HZ 1 68 ARG QD . . 4.690 4.106 3.845 4.424 . 0 0 "[ . 1 . 2]" 1
2024 1 70 SER HB3 1 72 VAL HB . . 4.990 3.843 2.856 4.833 . 0 0 "[ . 1 . 2]" 1
2025 1 70 SER HB3 1 71 ARG H . . 4.880 4.048 3.471 4.424 . 0 0 "[ . 1 . 2]" 1
2026 1 70 SER HB3 1 72 VAL H . . 5.080 4.218 3.083 5.058 . 0 0 "[ . 1 . 2]" 1
2027 1 71 ARG H 1 71 ARG HD3 . . 5.500 5.320 4.980 5.526 0.026 14 0 "[ . 1 . 2]" 1
2028 1 74 THR HA 1 75 PHE H . . 3.190 2.159 2.142 2.183 . 0 0 "[ . 1 . 2]" 1
2029 1 44 TRP HE1 1 75 PHE HB3 . . 5.050 3.498 3.271 3.715 . 0 0 "[ . 1 . 2]" 1
2030 1 27 PHE QB 1 77 MET HB2 . . 4.960 3.656 3.528 3.859 . 0 0 "[ . 1 . 2]" 1
2031 1 93 GLU HG3 1 94 VAL H . . 5.370 4.859 4.094 5.228 . 0 0 "[ . 1 . 2]" 1
2032 1 93 GLU H 1 93 GLU HG3 . . 4.910 3.556 3.110 4.607 . 0 0 "[ . 1 . 2]" 1
2033 1 93 GLU HG2 1 100 PHE QE . . 4.610 3.273 2.643 4.492 . 0 0 "[ . 1 . 2]" 1
2034 1 24 ASP HA 1 79 ILE HB . . 4.930 4.201 4.049 4.375 . 0 0 "[ . 1 . 2]" 1
2035 1 79 ILE HA 1 80 ILE HG12 . . 5.500 5.521 5.484 5.573 0.073 9 0 "[ . 1 . 2]" 1
2036 1 83 LYS HB3 1 86 PHE QD . . 5.320 3.966 3.721 4.266 . 0 0 "[ . 1 . 2]" 1
2037 1 83 LYS HD3 1 84 ASP H . . 5.500 5.209 5.037 5.425 . 0 0 "[ . 1 . 2]" 1
2038 1 83 LYS HD2 1 84 ASP H . . 5.500 5.297 5.018 5.518 0.018 19 0 "[ . 1 . 2]" 1
2039 1 84 ASP HA 1 109 VAL H . . 5.260 5.217 4.863 5.277 0.017 12 0 "[ . 1 . 2]" 1
2040 1 94 VAL MG1 1 95 THR H . . 5.500 3.477 2.520 4.239 . 0 0 "[ . 1 . 2]" 1
2041 1 94 VAL HB 1 95 THR H . . 5.270 4.304 3.503 4.431 . 0 0 "[ . 1 . 2]" 1
2042 1 97 LYS HA 1 99 LYS H . . 5.500 5.219 4.551 5.530 0.030 19 0 "[ . 1 . 2]" 1
2043 1 97 LYS H 1 97 LYS HD3 . . 5.480 2.846 1.897 4.395 . 0 0 "[ . 1 . 2]" 1
2044 1 97 LYS H 1 97 LYS HD2 . . 5.480 3.215 1.985 4.863 . 0 0 "[ . 1 . 2]" 1
2045 1 97 LYS HD3 1 98 ASP H . . 5.270 4.560 3.838 5.379 0.109 14 0 "[ . 1 . 2]" 1
2046 1 97 LYS HA 1 97 LYS HE3 . . 5.150 4.516 3.442 5.170 0.020 4 0 "[ . 1 . 2]" 1
2047 1 97 LYS HA 1 97 LYS HE2 . . 5.150 4.791 4.276 5.048 . 0 0 "[ . 1 . 2]" 1
2048 1 38 ARG HA 1 39 LYS H . . 3.430 2.253 2.144 2.573 . 0 0 "[ . 1 . 2]" 1
2049 1 21 VAL HB 1 112 SER HB3 . . 3.860 3.042 2.854 3.218 . 0 0 "[ . 1 . 2]" 1
2050 1 88 GLY H 1 107 LEU HB2 . . 5.460 4.368 3.354 5.168 . 0 0 "[ . 1 . 2]" 1
2051 1 90 TYR H 1 107 LEU HB2 . . 5.500 5.034 4.627 5.502 0.002 17 0 "[ . 1 . 2]" 1
2052 1 43 LYS HB3 1 93 GLU H . . 5.060 3.654 3.169 3.993 . 0 0 "[ . 1 . 2]" 1
2053 1 43 LYS HB2 1 93 GLU H . . 5.340 4.919 4.496 5.255 . 0 0 "[ . 1 . 2]" 1
2054 1 112 SER HB3 1 113 THR H . . 5.320 3.903 2.174 4.521 . 0 0 "[ . 1 . 2]" 1
2055 1 121 SER HB3 1 122 GLY H . . 5.500 3.301 2.130 4.397 . 0 0 "[ . 1 . 2]" 1
2056 1 112 SER HB2 1 113 THR H . . 5.320 4.254 3.638 4.656 . 0 0 "[ . 1 . 2]" 1
2057 1 121 SER HB2 1 122 GLY H . . 5.500 3.661 2.454 4.616 . 0 0 "[ . 1 . 2]" 1
2058 1 124 SER QB 1 125 SER H . . 5.500 2.937 2.157 4.059 . 0 0 "[ . 1 . 2]" 1
2059 1 10 PHE H 1 10 PHE QD . . 4.650 3.793 3.445 4.368 . 0 0 "[ . 1 . 2]" 1
2060 1 97 LYS HB3 1 98 ASP H . . 3.910 3.456 2.809 3.912 0.002 16 0 "[ . 1 . 2]" 1
2061 1 97 LYS HB3 1 98 ASP HA . . 5.290 4.720 4.552 4.872 . 0 0 "[ . 1 . 2]" 1
2062 1 97 LYS HB2 1 98 ASP HA . . 5.290 4.190 3.800 4.671 . 0 0 "[ . 1 . 2]" 1
2063 1 39 LYS HA 1 73 TYR QE . . 4.200 3.375 3.139 3.629 . 0 0 "[ . 1 . 2]" 1
2064 1 46 LYS QD 1 90 TYR HH . . 5.110 3.707 2.437 5.115 0.005 13 0 "[ . 1 . 2]" 1
2065 1 46 LYS HE2 1 88 GLY H . . 5.420 3.748 3.248 4.295 . 0 0 "[ . 1 . 2]" 1
2066 1 46 LYS HE3 1 88 GLY H . . 5.420 3.707 2.645 4.692 . 0 0 "[ . 1 . 2]" 1
2067 1 46 LYS HE2 1 90 TYR QD . . 5.070 3.806 2.779 5.038 . 0 0 "[ . 1 . 2]" 1
2068 1 46 LYS HE3 1 90 TYR QD . . 5.070 3.975 2.342 4.898 . 0 0 "[ . 1 . 2]" 1
2069 1 96 TYR QD 1 97 LYS HB3 . . 5.500 5.169 4.918 5.373 . 0 0 "[ . 1 . 2]" 1
2070 1 96 TYR QE 1 97 LYS HB3 . . 5.500 5.249 5.003 5.535 0.035 13 0 "[ . 1 . 2]" 1
2071 1 96 TYR QD 1 97 LYS HB2 . . 5.500 4.007 3.316 4.374 . 0 0 "[ . 1 . 2]" 1
2072 1 96 TYR QE 1 97 LYS HB2 . . 5.500 4.062 3.738 4.686 . 0 0 "[ . 1 . 2]" 1
2073 1 23 GLU HA 1 80 ILE MG . . 5.500 5.445 5.280 5.509 0.009 5 0 "[ . 1 . 2]" 1
2074 1 79 ILE HA 1 80 ILE MG . . 5.500 5.455 5.442 5.476 . 0 0 "[ . 1 . 2]" 1
2075 1 9 LEU HA 1 10 PHE QB . . 5.500 5.001 4.268 5.231 . 0 0 "[ . 1 . 2]" 1
2076 1 44 TRP HZ3 1 77 MET ME . . 5.360 2.913 2.298 3.825 . 0 0 "[ . 1 . 2]" 1
2077 1 44 TRP HH2 1 76 GLU HA . . 5.190 3.670 3.099 4.100 . 0 0 "[ . 1 . 2]" 1
2078 1 29 ALA H 1 44 TRP HH2 . . 4.890 4.552 4.013 4.860 . 0 0 "[ . 1 . 2]" 1
2079 1 44 TRP HH2 1 77 MET H . . 5.080 4.254 3.863 4.563 . 0 0 "[ . 1 . 2]" 1
2080 1 27 PHE QD 1 79 ILE HG12 . . 5.160 4.719 4.455 4.919 . 0 0 "[ . 1 . 2]" 1
2081 1 66 PHE HZ 1 68 ARG HB3 . . 5.200 3.097 2.750 3.496 . 0 0 "[ . 1 . 2]" 1
2082 1 66 PHE HZ 1 68 ARG HB2 . . 5.090 4.250 3.884 4.579 . 0 0 "[ . 1 . 2]" 1
2083 1 27 PHE QD 1 77 MET H . . 5.200 3.720 3.459 4.132 . 0 0 "[ . 1 . 2]" 1
2084 1 34 GLU HB3 1 96 TYR QE . . 5.500 5.410 5.198 5.507 0.007 19 0 "[ . 1 . 2]" 1
2085 1 34 GLU HB2 1 96 TYR QE . . 4.870 3.826 3.684 3.960 . 0 0 "[ . 1 . 2]" 1
2086 1 32 LYS HB2 1 33 ALA H . . 4.620 4.414 4.295 4.484 . 0 0 "[ . 1 . 2]" 1
2087 1 46 LYS QD 1 47 GLY HA3 . . 5.370 3.879 2.539 5.253 . 0 0 "[ . 1 . 2]" 1
2088 1 46 LYS QD 1 47 GLY HA2 . . 5.370 3.876 2.925 5.419 0.049 17 0 "[ . 1 . 2]" 1
2089 1 38 ARG HG3 1 39 LYS H . . 5.500 5.235 4.320 5.505 0.005 17 0 "[ . 1 . 2]" 1
2090 1 38 ARG HG2 1 39 LYS H . . 5.500 4.933 4.474 5.171 . 0 0 "[ . 1 . 2]" 1
2091 1 38 ARG HG3 1 97 LYS HE2 . . 5.500 3.955 2.582 4.716 . 0 0 "[ . 1 . 2]" 1
2092 1 38 ARG HG3 1 97 LYS HE3 . . 5.500 3.411 1.996 5.003 . 0 0 "[ . 1 . 2]" 1
2093 1 38 ARG HG2 1 97 LYS HG3 . . 5.200 4.100 2.372 5.131 . 0 0 "[ . 1 . 2]" 1
2094 1 38 ARG HG3 1 97 LYS HG3 . . 5.200 2.771 2.051 4.067 . 0 0 "[ . 1 . 2]" 1
2095 1 33 ALA HA 1 34 GLU HG2 . . 5.150 4.820 4.566 5.147 . 0 0 "[ . 1 . 2]" 1
2096 1 83 LYS HG3 1 84 ASP H . . 5.030 4.894 4.805 4.973 . 0 0 "[ . 1 . 2]" 1
2097 1 27 PHE QB 1 44 TRP HH2 . . 4.320 2.686 2.523 2.875 . 0 0 "[ . 1 . 2]" 1
2098 1 27 PHE QB 1 44 TRP HZ3 . . 4.220 2.888 2.542 3.106 . 0 0 "[ . 1 . 2]" 1
2099 1 11 ILE QG 1 12 GLU H . . 4.920 3.858 3.643 4.380 . 0 0 "[ . 1 . 2]" 1
2100 1 42 ILE MD 1 92 CYS HB3 . . 5.020 3.923 2.955 4.720 . 0 0 "[ . 1 . 2]" 1
2101 1 60 LEU HG 1 79 ILE HG12 . . 4.250 4.093 2.842 4.222 . 0 0 "[ . 1 . 2]" 1
2102 1 60 LEU HG 1 62 LEU MD2 . . 4.120 2.933 2.693 3.070 . 0 0 "[ . 1 . 2]" 1
2103 1 11 ILE HB 1 12 GLU H . . 4.810 2.847 1.940 3.872 . 0 0 "[ . 1 . 2]" 1
2104 1 8 ILE HB 1 9 LEU H . . 4.980 3.756 2.206 4.424 . 0 0 "[ . 1 . 2]" 1
2105 1 39 LYS HE2 1 39 LYS HG2 . . 3.940 3.436 2.085 3.880 . 0 0 "[ . 1 . 2]" 1
2106 1 110 HIS HA 1 111 GLU HB2 . . 4.750 4.667 4.589 4.742 . 0 0 "[ . 1 . 2]" 1
2107 1 90 TYR HB2 1 105 PHE HZ . . 5.500 3.661 3.114 4.346 . 0 0 "[ . 1 . 2]" 1
2108 1 90 TYR HB3 1 105 PHE HZ . . 5.290 2.642 2.431 3.223 . 0 0 "[ . 1 . 2]" 1
2109 1 60 LEU MD1 1 62 LEU H . . 5.250 4.947 4.796 5.296 0.046 8 0 "[ . 1 . 2]" 1
2110 1 116 THR H 1 116 THR MG . . 3.820 2.622 2.152 3.348 . 0 0 "[ . 1 . 2]" 1
2111 1 31 VAL HB 1 40 PRO HG3 . . 5.050 4.308 3.145 5.052 0.002 5 0 "[ . 1 . 2]" 1
2112 1 10 PHE QD 1 31 VAL HB . . 5.500 3.536 2.506 4.900 . 0 0 "[ . 1 . 2]" 1
2113 1 31 VAL HB 1 75 PHE QD . . 5.500 4.322 3.686 5.023 . 0 0 "[ . 1 . 2]" 1
2114 1 42 ILE HB 1 94 VAL HA . . 4.810 4.214 3.612 4.666 . 0 0 "[ . 1 . 2]" 1
2115 1 95 THR HB 1 96 TYR H . . 4.240 3.822 2.119 4.250 0.010 1 0 "[ . 1 . 2]" 1
2116 1 10 PHE QD 1 13 LYS HG3 . . 4.810 3.251 2.082 4.815 0.005 5 0 "[ . 1 . 2]" 1
2117 1 11 ILE MG 1 30 LYS QE . . 4.280 3.973 3.451 4.304 0.024 20 0 "[ . 1 . 2]" 1
2118 1 11 ILE MG 1 32 LYS QE . . 5.440 5.070 4.296 5.507 0.067 20 0 "[ . 1 . 2]" 1
2119 1 11 ILE MG 1 12 GLU HA . . 4.030 3.322 3.011 3.530 . 0 0 "[ . 1 . 2]" 1
2120 1 11 ILE MG 1 31 VAL HA . . 5.080 4.079 2.524 5.113 0.033 20 0 "[ . 1 . 2]" 1
2121 1 11 ILE MG 1 12 GLU H . . 4.330 2.221 1.764 2.620 . 0 0 "[ . 1 . 2]" 1
2122 1 20 LYS HB2 1 112 SER HA . . 5.080 4.661 4.505 4.761 . 0 0 "[ . 1 . 2]" 1
2123 1 6 SER HA 1 6 SER QB . . 2.620 2.337 2.190 2.486 . 0 0 "[ . 1 . 2]" 1
2124 1 8 ILE H 1 8 ILE QG . . 4.410 3.130 1.899 4.175 . 0 0 "[ . 1 . 2]" 1
2125 1 9 LEU H 1 9 LEU QD . . 4.450 3.284 1.933 3.915 . 0 0 "[ . 1 . 2]" 1
2126 1 9 LEU HA 1 9 LEU QD . . 2.840 2.292 1.913 2.949 0.109 11 0 "[ . 1 . 2]" 1
2127 1 9 LEU QD 1 96 TYR QB . . 4.110 2.577 1.873 3.321 . 0 0 "[ . 1 . 2]" 1
2128 1 9 LEU QD 1 96 TYR QD . . 2.800 2.504 1.866 2.784 . 0 0 "[ . 1 . 2]" 1
2129 1 9 LEU QD 1 96 TYR QE . . 4.430 3.835 3.050 4.267 . 0 0 "[ . 1 . 2]" 1
2130 1 9 LEU QD 1 99 LYS QB . . 4.040 2.001 1.734 2.834 . 0 0 "[ . 1 . 2]" 1
2131 1 10 PHE QB 1 13 LYS QG . . 4.550 3.271 2.506 4.367 . 0 0 "[ . 1 . 2]" 1
2132 1 10 PHE QD 1 13 LYS QG . . 4.220 2.296 1.843 3.689 . 0 0 "[ . 1 . 2]" 1
2133 1 10 PHE QD 1 31 VAL QG . . 4.080 2.280 1.767 2.793 . 0 0 "[ . 1 . 2]" 1
2134 1 10 PHE QD 1 94 VAL QG . . 4.930 2.799 1.947 3.435 . 0 0 "[ . 1 . 2]" 1
2135 1 11 ILE MG 1 32 LYS QB . . 5.170 4.104 3.219 4.910 . 0 0 "[ . 1 . 2]" 1
2136 1 11 ILE MG 1 32 LYS QD . . 4.020 3.745 3.069 4.069 0.049 20 0 "[ . 1 . 2]" 1
2137 1 11 ILE MD 1 32 LYS QB . . 3.640 2.739 1.828 3.635 . 0 0 "[ . 1 . 2]" 1
2138 1 12 GLU HA 1 12 GLU QG . . 3.050 2.484 2.153 2.939 . 0 0 "[ . 1 . 2]" 1
2139 1 12 GLU HA 1 13 LYS QG . . 4.420 3.501 3.129 4.171 . 0 0 "[ . 1 . 2]" 1
2140 1 12 GLU HB2 1 30 LYS QG . . 4.800 3.779 1.967 4.561 . 0 0 "[ . 1 . 2]" 1
2141 1 12 GLU HB3 1 30 LYS QG . . 4.310 3.782 2.260 4.312 0.002 13 0 "[ . 1 . 2]" 1
2142 1 12 GLU QG 1 13 LYS H . . 3.360 2.282 1.897 3.303 . 0 0 "[ . 1 . 2]" 1
2143 1 12 GLU QG 1 13 LYS QG . . 5.100 4.653 4.242 5.123 0.023 11 0 "[ . 1 . 2]" 1
2144 1 12 GLU QG 1 28 ILE HB . . 4.650 3.967 3.300 4.520 . 0 0 "[ . 1 . 2]" 1
2145 1 12 GLU QG 1 28 ILE MG . . 3.770 2.543 1.909 3.175 . 0 0 "[ . 1 . 2]" 1
2146 1 12 GLU QG 1 29 ALA HA . . 5.150 3.905 3.135 4.386 . 0 0 "[ . 1 . 2]" 1
2147 1 12 GLU QG 1 30 LYS H . . 4.920 3.684 3.107 4.105 . 0 0 "[ . 1 . 2]" 1
2148 1 12 GLU QG 1 30 LYS QB . . 4.030 3.725 3.317 3.959 . 0 0 "[ . 1 . 2]" 1
2149 1 12 GLU QG 1 30 LYS QD . . 4.240 3.984 3.339 4.244 0.004 1 0 "[ . 1 . 2]" 1
2150 1 12 GLU QG 1 30 LYS QE . . 3.830 2.349 1.946 2.889 . 0 0 "[ . 1 . 2]" 1
2151 1 13 LYS H 1 13 LYS QB . . 3.170 2.676 2.421 3.185 0.015 5 0 "[ . 1 . 2]" 1
2152 1 13 LYS H 1 13 LYS QG . . 3.510 2.893 2.116 3.505 . 0 0 "[ . 1 . 2]" 1
2153 1 13 LYS H 1 14 PRO QD . . 4.690 4.209 3.930 4.339 . 0 0 "[ . 1 . 2]" 1
2154 1 13 LYS H 1 15 GLN QE . . 4.290 3.617 2.350 4.236 . 0 0 "[ . 1 . 2]" 1
2155 1 13 LYS QB 1 13 LYS QE . . 4.150 2.776 1.892 3.729 . 0 0 "[ . 1 . 2]" 1
2156 1 13 LYS QB 1 14 PRO QD . . 4.110 2.585 2.119 3.259 . 0 0 "[ . 1 . 2]" 1
2157 1 13 LYS QB 1 15 GLN QE . . 3.790 2.383 1.997 2.876 . 0 0 "[ . 1 . 2]" 1
2158 1 13 LYS QG 1 103 CYS QB . . 5.300 3.549 2.571 4.946 . 0 0 "[ . 1 . 2]" 1
2159 1 13 LYS QD 1 15 GLN QE . . 4.760 3.714 3.066 4.752 . 0 0 "[ . 1 . 2]" 1
2160 1 14 PRO QD 1 29 ALA HA . . 4.620 3.025 2.559 3.402 . 0 0 "[ . 1 . 2]" 1
2161 1 14 PRO QD 1 29 ALA MB . . 3.640 2.278 1.905 2.641 . 0 0 "[ . 1 . 2]" 1
2162 1 15 GLN H 1 15 GLN QB . . 3.120 2.355 2.170 2.445 . 0 0 "[ . 1 . 2]" 1
2163 1 15 GLN H 1 15 GLN QE . . 4.540 3.529 2.605 4.189 . 0 0 "[ . 1 . 2]" 1
2164 1 15 GLN HA 1 105 PHE QB . . 4.710 3.295 2.738 3.939 . 0 0 "[ . 1 . 2]" 1
2165 1 15 GLN QB 1 16 GLY H . . 4.020 3.641 3.398 3.878 . 0 0 "[ . 1 . 2]" 1
2166 1 15 GLN QE 1 15 GLN QG . . 2.950 2.110 2.067 2.186 . 0 0 "[ . 1 . 2]" 1
2167 1 16 GLY H 1 105 PHE QB . . 3.840 2.415 1.805 3.145 . 0 0 "[ . 1 . 2]" 1
2168 1 16 GLY HA2 1 105 PHE QB . . 4.570 3.267 2.828 3.545 . 0 0 "[ . 1 . 2]" 1
2169 1 16 GLY HA2 1 107 LEU QD . . 4.410 3.643 3.314 4.331 . 0 0 "[ . 1 . 2]" 1
2170 1 17 GLY H 1 107 LEU QD . . 3.530 2.300 1.861 3.310 . 0 0 "[ . 1 . 2]" 1
2171 1 17 GLY HA2 1 107 LEU QD . . 4.830 4.081 3.818 4.639 . 0 0 "[ . 1 . 2]" 1
2172 1 17 GLY HA3 1 107 LEU QD . . 4.170 3.573 3.375 4.176 0.006 11 0 "[ . 1 . 2]" 1
2173 1 18 THR H 1 107 LEU QD . . 4.030 3.725 3.594 4.013 . 0 0 "[ . 1 . 2]" 1
2174 1 18 THR HA 1 107 LEU QD . . 3.520 2.500 2.297 2.611 . 0 0 "[ . 1 . 2]" 1
2175 1 18 THR HA 1 108 GLU QG . . 4.700 4.642 4.521 4.711 0.011 12 0 "[ . 1 . 2]" 1
2176 1 18 THR HB 1 107 LEU QD . . 5.220 4.844 4.774 5.075 . 0 0 "[ . 1 . 2]" 1
2177 1 18 THR MG 1 108 GLU QG . . 3.810 3.589 3.351 3.795 . 0 0 "[ . 1 . 2]" 1
2178 1 19 VAL H 1 107 LEU QD . . 3.480 2.614 2.450 2.814 . 0 0 "[ . 1 . 2]" 1
2179 1 19 VAL HA 1 107 LEU QD . . 4.820 4.491 4.409 4.658 . 0 0 "[ . 1 . 2]" 1
2180 1 19 VAL HB 1 107 LEU QD . . 3.440 3.343 3.219 3.459 0.019 11 0 "[ . 1 . 2]" 1
2181 1 19 VAL MG2 1 23 GLU QG . . 3.700 3.495 3.196 3.696 . 0 0 "[ . 1 . 2]" 1
2182 1 20 LYS HB2 1 23 GLU QG . . 3.860 3.380 2.904 3.703 . 0 0 "[ . 1 . 2]" 1
2183 1 20 LYS HB3 1 112 SER QB . . 3.980 3.656 3.555 3.877 . 0 0 "[ . 1 . 2]" 1
2184 1 20 LYS QG 1 23 GLU QG . . 4.310 3.561 3.234 4.086 . 0 0 "[ . 1 . 2]" 1
2185 1 20 LYS QD 1 112 SER QB . . 4.300 3.471 3.346 3.640 . 0 0 "[ . 1 . 2]" 1
2186 1 21 VAL HB 1 112 SER QB . . 3.390 2.584 2.477 2.711 . 0 0 "[ . 1 . 2]" 1
2187 1 21 VAL MG1 1 112 SER QB . . 3.580 3.257 3.084 3.439 . 0 0 "[ . 1 . 2]" 1
2188 1 21 VAL MG2 1 84 ASP QB . . 3.660 3.228 2.850 3.672 0.012 19 0 "[ . 1 . 2]" 1
2189 1 21 VAL MG2 1 112 SER QB . . 4.040 3.855 3.745 3.995 . 0 0 "[ . 1 . 2]" 1
2190 1 23 GLU H 1 23 GLU QG . . 3.660 3.250 2.950 3.679 0.019 9 0 "[ . 1 . 2]" 1
2191 1 23 GLU HA 1 23 GLU QG . . 3.020 2.409 2.188 2.817 . 0 0 "[ . 1 . 2]" 1
2192 1 23 GLU HA 1 24 ASP QB . . 4.210 4.098 3.955 4.252 0.042 8 0 "[ . 1 . 2]" 1
2193 1 23 GLU QG 1 24 ASP H . . 3.440 3.251 3.049 3.576 0.136 6 0 "[ . 1 . 2]" 1
2194 1 24 ASP H 1 24 ASP QB . . 3.220 2.881 2.477 3.032 . 0 0 "[ . 1 . 2]" 1
2195 1 24 ASP QB 1 25 ILE H . . 3.440 3.285 3.129 3.513 0.073 17 0 "[ . 1 . 2]" 1
2196 1 24 ASP QB 1 78 GLN QG . . 4.240 3.543 3.332 4.247 0.007 17 0 "[ . 1 . 2]" 1
2197 1 24 ASP QB 1 80 ILE HA . . 3.850 2.856 2.526 3.436 . 0 0 "[ . 1 . 2]" 1
2198 1 24 ASP QB 1 80 ILE MG . . 4.580 3.110 2.849 3.786 . 0 0 "[ . 1 . 2]" 1
2199 1 25 ILE MG 1 107 LEU QD . . 2.880 2.794 2.653 2.885 0.005 7 0 "[ . 1 . 2]" 1
2200 1 25 ILE HG12 1 107 LEU QD . . 4.350 4.041 3.871 4.199 . 0 0 "[ . 1 . 2]" 1
2201 1 25 ILE MD 1 107 LEU QD . . 2.760 2.431 2.117 2.763 0.003 19 0 "[ . 1 . 2]" 1
2202 1 27 PHE QD 1 107 LEU QD . . 5.440 4.369 4.041 4.643 . 0 0 "[ . 1 . 2]" 1
2203 1 27 PHE QE 1 107 LEU QD . . 3.430 2.545 2.073 2.851 . 0 0 "[ . 1 . 2]" 1
2204 1 27 PHE HZ 1 107 LEU QD . . 2.810 2.106 1.899 2.388 . 0 0 "[ . 1 . 2]" 1
2205 1 30 LYS HA 1 30 LYS QG . . 3.420 2.457 2.239 3.285 . 0 0 "[ . 1 . 2]" 1
2206 1 30 LYS HA 1 72 VAL QG . . 3.860 3.669 3.191 3.921 0.061 4 0 "[ . 1 . 2]" 1
2207 1 30 LYS QB 1 72 VAL QG . . 3.080 2.426 2.174 2.700 . 0 0 "[ . 1 . 2]" 1
2208 1 30 LYS QE 1 30 LYS QG . . 2.830 2.201 2.047 2.656 . 0 0 "[ . 1 . 2]" 1
2209 1 30 LYS QG 1 31 VAL H . . 4.480 3.439 3.039 3.642 . 0 0 "[ . 1 . 2]" 1
2210 1 30 LYS QG 1 72 VAL QG . . 3.680 2.517 1.860 3.032 . 0 0 "[ . 1 . 2]" 1
2211 1 30 LYS QG 1 74 THR HA . . 3.980 2.695 1.852 4.037 0.057 4 0 "[ . 1 . 2]" 1
2212 1 30 LYS QG 1 75 PHE H . . 5.250 4.029 3.126 5.090 . 0 0 "[ . 1 . 2]" 1
2213 1 30 LYS QD 1 72 VAL QG . . 3.660 3.068 2.137 3.671 0.011 19 0 "[ . 1 . 2]" 1
2214 1 31 VAL H 1 72 VAL QG . . 3.810 2.570 1.903 3.243 . 0 0 "[ . 1 . 2]" 1
2215 1 31 VAL QG 1 40 PRO HB2 . . 4.290 3.057 2.351 3.626 . 0 0 "[ . 1 . 2]" 1
2216 1 31 VAL QG 1 40 PRO HG2 . . 4.170 2.988 2.197 3.789 . 0 0 "[ . 1 . 2]" 1
2217 1 31 VAL QG 1 75 PHE QD . . 4.270 3.306 2.495 4.143 . 0 0 "[ . 1 . 2]" 1
2218 1 31 VAL QG 1 75 PHE QE . . 3.790 2.092 1.826 2.606 . 0 0 "[ . 1 . 2]" 1
2219 1 31 VAL QG 1 94 VAL QG . . 3.510 2.058 1.741 2.435 . 0 0 "[ . 1 . 2]" 1
2220 1 31 VAL QG 1 100 PHE HA . . 5.440 5.343 4.929 5.468 0.028 14 0 "[ . 1 . 2]" 1
2221 1 31 VAL QG 1 101 ASP H . . 5.420 4.886 4.408 5.309 . 0 0 "[ . 1 . 2]" 1
2222 1 32 LYS H 1 32 LYS QB . . 3.600 2.248 2.205 2.266 . 0 0 "[ . 1 . 2]" 1
2223 1 32 LYS QB 1 33 ALA H . . 3.980 3.777 3.646 3.877 . 0 0 "[ . 1 . 2]" 1
2224 1 32 LYS QB 1 72 VAL QG . . 4.250 3.592 3.422 3.835 . 0 0 "[ . 1 . 2]" 1
2225 1 32 LYS HG2 1 72 VAL QG . . 4.520 4.447 4.252 4.528 0.008 9 0 "[ . 1 . 2]" 1
2226 1 32 LYS HG3 1 72 VAL QG . . 3.620 3.508 3.177 3.629 0.009 14 0 "[ . 1 . 2]" 1
2227 1 32 LYS QD 1 33 ALA H . . 4.910 3.728 3.505 3.951 . 0 0 "[ . 1 . 2]" 1
2228 1 32 LYS QD 1 72 VAL QG . . 2.890 2.379 2.138 2.571 . 0 0 "[ . 1 . 2]" 1
2229 1 32 LYS QE 1 72 VAL QG . . 3.170 2.343 2.040 2.654 . 0 0 "[ . 1 . 2]" 1
2230 1 33 ALA H 1 71 ARG QB . . 4.370 3.816 3.629 4.024 . 0 0 "[ . 1 . 2]" 1
2231 1 33 ALA H 1 72 VAL QG . . 3.580 2.618 2.207 2.914 . 0 0 "[ . 1 . 2]" 1
2232 1 33 ALA MB 1 71 ARG QB . . 3.840 3.072 2.834 3.538 . 0 0 "[ . 1 . 2]" 1
2233 1 33 ALA MB 1 71 ARG QD . . 4.530 4.143 3.676 4.468 . 0 0 "[ . 1 . 2]" 1
2234 1 34 GLU H 1 35 ASP QB . . 4.760 4.055 3.643 4.389 . 0 0 "[ . 1 . 2]" 1
2235 1 34 GLU HA 1 36 LEU QD . . 4.870 4.787 4.219 4.879 0.009 19 0 "[ . 1 . 2]" 1
2236 1 34 GLU HA 1 71 ARG QB . . 4.160 3.042 2.704 3.492 . 0 0 "[ . 1 . 2]" 1
2237 1 34 GLU HA 1 71 ARG QD . . 3.410 2.457 2.316 2.661 . 0 0 "[ . 1 . 2]" 1
2238 1 34 GLU HG2 1 71 ARG QD . . 5.070 4.678 4.333 5.050 . 0 0 "[ . 1 . 2]" 1
2239 1 34 GLU HG3 1 71 ARG QD . . 5.340 5.319 5.218 5.359 0.019 20 0 "[ . 1 . 2]" 1
2240 1 35 ASP H 1 35 ASP QB . . 3.390 2.414 2.188 2.927 . 0 0 "[ . 1 . 2]" 1
2241 1 35 ASP HA 1 36 LEU QD . . 4.260 3.711 3.140 4.227 . 0 0 "[ . 1 . 2]" 1
2242 1 35 ASP HA 1 71 ARG QD . . 4.090 3.847 3.462 4.093 0.003 7 0 "[ . 1 . 2]" 1
2243 1 35 ASP QB 1 36 LEU H . . 3.890 3.042 2.298 3.785 . 0 0 "[ . 1 . 2]" 1
2244 1 35 ASP QB 1 37 LEU QD . . 4.480 3.964 3.339 4.451 . 0 0 "[ . 1 . 2]" 1
2245 1 35 ASP QB 1 38 ARG QB . . 4.320 2.753 2.016 3.872 . 0 0 "[ . 1 . 2]" 1
2246 1 35 ASP QB 1 96 TYR QE . . 4.480 4.012 3.534 4.500 0.020 5 0 "[ . 1 . 2]" 1
2247 1 36 LEU H 1 36 LEU QD . . 3.480 3.053 2.625 3.239 . 0 0 "[ . 1 . 2]" 1
2248 1 36 LEU H 1 37 LEU QD . . 4.560 3.498 2.651 4.485 . 0 0 "[ . 1 . 2]" 1
2249 1 36 LEU HA 1 36 LEU QD . . 2.680 2.014 1.924 2.163 . 0 0 "[ . 1 . 2]" 1
2250 1 36 LEU QB 1 36 LEU QD . . 2.820 1.943 1.924 1.963 . 0 0 "[ . 1 . 2]" 1
2251 1 36 LEU HG 1 71 ARG QD . . 4.010 3.383 2.636 3.865 . 0 0 "[ . 1 . 2]" 1
2252 1 36 LEU QD 1 37 LEU H . . 4.140 4.003 3.890 4.144 0.004 14 0 "[ . 1 . 2]" 1
2253 1 36 LEU QD 1 66 PHE QD . . 4.740 4.321 4.057 4.551 . 0 0 "[ . 1 . 2]" 1
2254 1 36 LEU QD 1 66 PHE QE . . 3.100 2.742 2.595 2.937 . 0 0 "[ . 1 . 2]" 1
2255 1 36 LEU QD 1 66 PHE HZ . . 2.950 1.897 1.813 2.059 . 0 0 "[ . 1 . 2]" 1
2256 1 36 LEU QD 1 68 ARG HA . . 3.490 2.911 2.668 3.222 . 0 0 "[ . 1 . 2]" 1
2257 1 36 LEU QD 1 68 ARG HB2 . . 4.340 3.137 2.694 3.579 . 0 0 "[ . 1 . 2]" 1
2258 1 36 LEU QD 1 68 ARG HB3 . . 4.370 2.715 2.417 3.028 . 0 0 "[ . 1 . 2]" 1
2259 1 36 LEU QD 1 68 ARG HG3 . . 4.670 4.381 4.008 4.671 0.001 20 0 "[ . 1 . 2]" 1
2260 1 36 LEU QD 1 68 ARG QD . . 4.080 3.910 3.667 4.097 0.017 14 0 "[ . 1 . 2]" 1
2261 1 36 LEU QD 1 71 ARG H . . 5.040 4.446 4.129 4.874 . 0 0 "[ . 1 . 2]" 1
2262 1 36 LEU QD 1 71 ARG HA . . 4.220 3.296 2.994 3.583 . 0 0 "[ . 1 . 2]" 1
2263 1 36 LEU QD 1 71 ARG QB . . 4.020 3.366 3.085 3.729 . 0 0 "[ . 1 . 2]" 1
2264 1 36 LEU QD 1 71 ARG QG . . 3.840 2.401 1.911 3.017 . 0 0 "[ . 1 . 2]" 1
2265 1 36 LEU QD 1 71 ARG QD . . 3.130 2.084 1.847 2.309 . 0 0 "[ . 1 . 2]" 1
2266 1 36 LEU QD 1 73 TYR QE . . 5.020 4.412 3.822 4.923 . 0 0 "[ . 1 . 2]" 1
2267 1 37 LEU H 1 37 LEU QB . . 3.040 2.448 2.280 2.617 . 0 0 "[ . 1 . 2]" 1
2268 1 37 LEU H 1 38 ARG QG . . 4.560 4.316 3.813 4.627 0.067 14 0 "[ . 1 . 2]" 1
2269 1 37 LEU HA 1 37 LEU QB . . 2.590 2.372 2.299 2.437 . 0 0 "[ . 1 . 2]" 1
2270 1 37 LEU HA 1 37 LEU QD . . 2.420 2.153 1.935 2.406 . 0 0 "[ . 1 . 2]" 1
2271 1 37 LEU QB 1 37 LEU QD . . 2.660 1.952 1.842 2.041 . 0 0 "[ . 1 . 2]" 1
2272 1 37 LEU QB 1 38 ARG H . . 3.290 2.544 2.146 2.845 . 0 0 "[ . 1 . 2]" 1
2273 1 37 LEU QB 1 38 ARG QG . . 3.310 2.841 2.592 3.191 . 0 0 "[ . 1 . 2]" 1
2274 1 37 LEU QD 1 38 ARG H . . 4.070 3.776 3.641 4.101 0.031 14 0 "[ . 1 . 2]" 1
2275 1 38 ARG H 1 38 ARG QB . . 3.130 2.545 2.380 2.706 . 0 0 "[ . 1 . 2]" 1
2276 1 38 ARG HA 1 38 ARG QG . . 3.240 2.884 2.520 3.060 . 0 0 "[ . 1 . 2]" 1
2277 1 38 ARG QB 1 38 ARG QD . . 3.120 2.231 2.091 2.366 . 0 0 "[ . 1 . 2]" 1
2278 1 38 ARG QB 1 40 PRO HD3 . . 5.210 4.281 3.918 4.521 . 0 0 "[ . 1 . 2]" 1
2279 1 38 ARG QB 1 96 TYR QD . . 4.800 3.959 3.217 4.231 . 0 0 "[ . 1 . 2]" 1
2280 1 38 ARG QB 1 97 LYS QG . . 3.900 2.289 1.839 3.098 . 0 0 "[ . 1 . 2]" 1
2281 1 38 ARG QB 1 97 LYS QE . . 4.030 2.730 1.864 3.818 . 0 0 "[ . 1 . 2]" 1
2282 1 38 ARG QG 1 39 LYS H . . 4.700 4.511 3.913 4.698 . 0 0 "[ . 1 . 2]" 1
2283 1 38 ARG QG 1 96 TYR QE . . 4.420 4.230 3.910 4.433 0.013 20 0 "[ . 1 . 2]" 1
2284 1 38 ARG QG 1 97 LYS QG . . 3.650 2.341 2.006 2.709 . 0 0 "[ . 1 . 2]" 1
2285 1 38 ARG QG 1 97 LYS QE . . 4.140 2.930 1.912 3.724 . 0 0 "[ . 1 . 2]" 1
2286 1 38 ARG QD 1 97 LYS QG . . 3.640 2.405 1.963 3.578 . 0 0 "[ . 1 . 2]" 1
2287 1 38 ARG QD 1 97 LYS QE . . 4.130 2.626 1.773 3.949 . 0 0 "[ . 1 . 2]" 1
2288 1 39 LYS H 1 39 LYS QB . . 3.230 2.582 2.450 2.748 . 0 0 "[ . 1 . 2]" 1
2289 1 39 LYS H 1 39 LYS QG . . 4.230 4.015 3.511 4.215 . 0 0 "[ . 1 . 2]" 1
2290 1 39 LYS HA 1 39 LYS QG . . 3.560 2.500 2.167 2.650 . 0 0 "[ . 1 . 2]" 1
2291 1 39 LYS QB 1 39 LYS QE . . 2.990 2.282 1.981 2.938 . 0 0 "[ . 1 . 2]" 1
2292 1 39 LYS QB 1 40 PRO HD2 . . 3.730 3.579 3.219 3.767 0.037 17 0 "[ . 1 . 2]" 1
2293 1 39 LYS QB 1 40 PRO HD3 . . 4.480 4.325 4.196 4.413 . 0 0 "[ . 1 . 2]" 1
2294 1 39 LYS QB 1 73 TYR QE . . 4.070 3.304 2.629 4.017 . 0 0 "[ . 1 . 2]" 1
2295 1 39 LYS QE 1 39 LYS QG . . 2.920 2.332 2.045 2.730 . 0 0 "[ . 1 . 2]" 1
2296 1 39 LYS QG 1 40 PRO HD2 . . 3.970 2.476 2.142 3.092 . 0 0 "[ . 1 . 2]" 1
2297 1 39 LYS QG 1 73 TYR QE . . 4.160 2.241 1.957 2.778 . 0 0 "[ . 1 . 2]" 1
2298 1 39 LYS QE 1 73 TYR QE . . 3.980 2.985 1.990 3.940 . 0 0 "[ . 1 . 2]" 1
2299 1 40 PRO HB2 1 94 VAL QG . . 4.480 2.434 2.057 3.545 . 0 0 "[ . 1 . 2]" 1
2300 1 40 PRO HB3 1 94 VAL QG . . 4.160 3.300 3.047 4.171 0.011 5 0 "[ . 1 . 2]" 1
2301 1 41 THR MG 1 43 LYS QE . . 3.850 3.772 3.522 3.860 0.010 11 0 "[ . 1 . 2]" 1
2302 1 42 ILE HA 1 42 ILE QG . . 3.490 2.286 2.241 2.353 . 0 0 "[ . 1 . 2]" 1
2303 1 42 ILE HA 1 94 VAL QG . . 4.560 2.680 1.947 3.798 . 0 0 "[ . 1 . 2]" 1
2304 1 42 ILE QG 1 43 LYS H . . 3.780 2.371 1.872 2.732 . 0 0 "[ . 1 . 2]" 1
2305 1 42 ILE QG 1 44 TRP HD1 . . 4.680 3.640 3.329 3.878 . 0 0 "[ . 1 . 2]" 1
2306 1 42 ILE QG 1 93 GLU H . . 4.930 3.285 2.817 3.461 . 0 0 "[ . 1 . 2]" 1
2307 1 42 ILE QG 1 94 VAL QG . . 4.580 2.731 1.926 3.963 . 0 0 "[ . 1 . 2]" 1
2308 1 42 ILE MD 1 92 CYS QB . . 4.410 3.282 2.255 4.198 . 0 0 "[ . 1 . 2]" 1
2309 1 42 ILE MD 1 94 VAL QG . . 3.660 2.657 1.954 3.667 0.007 15 0 "[ . 1 . 2]" 1
2310 1 43 LYS H 1 43 LYS QG . . 4.630 4.174 4.115 4.254 . 0 0 "[ . 1 . 2]" 1
2311 1 43 LYS HA 1 43 LYS QG . . 3.250 2.573 2.505 2.629 . 0 0 "[ . 1 . 2]" 1
2312 1 43 LYS HA 1 43 LYS QE . . 4.030 3.972 3.851 4.064 0.034 4 0 "[ . 1 . 2]" 1
2313 1 43 LYS HB2 1 43 LYS QE . . 3.390 2.205 1.991 2.408 . 0 0 "[ . 1 . 2]" 1
2314 1 43 LYS QE 1 43 LYS QG . . 3.140 2.387 2.239 2.601 . 0 0 "[ . 1 . 2]" 1
2315 1 43 LYS QG 1 44 TRP H . . 4.100 2.849 2.322 2.964 . 0 0 "[ . 1 . 2]" 1
2316 1 43 LYS QG 1 45 PHE QD . . 4.280 3.453 3.317 3.685 . 0 0 "[ . 1 . 2]" 1
2317 1 43 LYS QG 1 45 PHE HZ . . 4.730 2.412 2.182 2.625 . 0 0 "[ . 1 . 2]" 1
2318 1 43 LYS QE 1 45 PHE QE . . 4.790 3.901 3.635 4.094 . 0 0 "[ . 1 . 2]" 1
2319 1 43 LYS QE 1 45 PHE HZ . . 3.880 3.662 3.349 3.891 0.011 19 0 "[ . 1 . 2]" 1
2320 1 44 TRP HA 1 52 LEU QD . . 4.460 3.776 3.418 4.078 . 0 0 "[ . 1 . 2]" 1
2321 1 44 TRP HB2 1 52 LEU QD . . 3.590 2.724 2.334 3.079 . 0 0 "[ . 1 . 2]" 1
2322 1 44 TRP HB3 1 52 LEU QD . . 3.420 2.087 1.900 2.356 . 0 0 "[ . 1 . 2]" 1
2323 1 44 TRP HD1 1 60 LEU QD . . 5.440 5.212 4.901 5.397 . 0 0 "[ . 1 . 2]" 1
2324 1 44 TRP HE3 1 52 LEU QD . . 4.710 3.439 3.230 3.651 . 0 0 "[ . 1 . 2]" 1
2325 1 45 PHE H 1 45 PHE QB . . 3.600 2.527 2.398 2.656 . 0 0 "[ . 1 . 2]" 1
2326 1 45 PHE H 1 52 LEU QD . . 4.390 3.290 2.901 3.846 . 0 0 "[ . 1 . 2]" 1
2327 1 45 PHE H 1 91 ARG QB . . 5.340 3.588 2.923 4.078 . 0 0 "[ . 1 . 2]" 1
2328 1 45 PHE HA 1 52 LEU QD . . 3.720 3.398 3.115 3.579 . 0 0 "[ . 1 . 2]" 1
2329 1 45 PHE QB 1 46 LYS H . . 3.690 2.473 2.098 2.826 . 0 0 "[ . 1 . 2]" 1
2330 1 45 PHE QB 1 46 LYS HA . . 5.210 3.957 3.816 4.112 . 0 0 "[ . 1 . 2]" 1
2331 1 45 PHE QB 1 91 ARG H . . 4.880 3.357 2.972 3.921 . 0 0 "[ . 1 . 2]" 1
2332 1 45 PHE QB 1 91 ARG QB . . 3.700 2.094 1.954 2.352 . 0 0 "[ . 1 . 2]" 1
2333 1 45 PHE QB 1 91 ARG QG . . 4.160 3.509 2.917 4.030 . 0 0 "[ . 1 . 2]" 1
2334 1 45 PHE QD 1 51 ASP QB . . 4.900 2.800 2.395 3.650 . 0 0 "[ . 1 . 2]" 1
2335 1 45 PHE QD 1 91 ARG QB . . 4.480 3.709 3.358 4.187 . 0 0 "[ . 1 . 2]" 1
2336 1 45 PHE QD 1 91 ARG QD . . 5.340 4.447 3.754 5.318 . 0 0 "[ . 1 . 2]" 1
2337 1 45 PHE QD 1 93 GLU QG . . 4.160 3.574 2.688 4.165 0.005 15 0 "[ . 1 . 2]" 1
2338 1 45 PHE QE 1 51 ASP QB . . 3.910 2.252 1.985 2.914 . 0 0 "[ . 1 . 2]" 1
2339 1 45 PHE QE 1 93 GLU QG . . 4.300 4.088 3.524 4.311 0.011 14 0 "[ . 1 . 2]" 1
2340 1 46 LYS H 1 50 MET QG . . 5.210 4.695 4.444 4.991 . 0 0 "[ . 1 . 2]" 1
2341 1 46 LYS H 1 52 LEU QD . . 3.780 3.505 3.051 3.777 . 0 0 "[ . 1 . 2]" 1
2342 1 46 LYS H 1 91 ARG QB . . 5.150 4.677 4.314 4.952 . 0 0 "[ . 1 . 2]" 1
2343 1 46 LYS HA 1 46 LYS QG . . 3.270 2.597 2.148 3.048 . 0 0 "[ . 1 . 2]" 1
2344 1 46 LYS HA 1 46 LYS QE . . 4.450 4.180 3.706 4.477 0.027 16 0 "[ . 1 . 2]" 1
2345 1 46 LYS HA 1 47 GLY QA . . 4.550 4.002 3.974 4.062 . 0 0 "[ . 1 . 2]" 1
2346 1 46 LYS HA 1 52 LEU QD . . 4.140 3.551 3.341 3.771 . 0 0 "[ . 1 . 2]" 1
2347 1 46 LYS QB 1 46 LYS QD . . 3.470 2.209 1.993 2.373 . 0 0 "[ . 1 . 2]" 1
2348 1 46 LYS QB 1 46 LYS QE . . 4.050 3.696 3.474 3.864 . 0 0 "[ . 1 . 2]" 1
2349 1 46 LYS QB 1 50 MET HB3 . . 4.020 2.496 1.982 3.047 . 0 0 "[ . 1 . 2]" 1
2350 1 46 LYS QB 1 50 MET QG . . 4.920 3.516 3.029 4.135 . 0 0 "[ . 1 . 2]" 1
2351 1 46 LYS QB 1 52 LEU QD . . 3.950 1.780 1.662 2.004 . 0 0 "[ . 1 . 2]" 1
2352 1 46 LYS QB 1 90 TYR QD . . 4.520 3.946 3.396 4.199 . 0 0 "[ . 1 . 2]" 1
2353 1 46 LYS QB 1 90 TYR QE . . 4.080 3.846 3.575 4.085 0.005 11 0 "[ . 1 . 2]" 1
2354 1 46 LYS QE 1 46 LYS QG . . 2.900 2.264 2.002 2.459 . 0 0 "[ . 1 . 2]" 1
2355 1 46 LYS QG 1 47 GLY H . . 3.580 2.352 1.872 2.676 . 0 0 "[ . 1 . 2]" 1
2356 1 46 LYS QG 1 50 MET ME . . 3.980 2.559 1.939 4.016 0.036 8 0 "[ . 1 . 2]" 1
2357 1 46 LYS QG 1 89 ASN H . . 5.000 3.969 3.183 4.777 . 0 0 "[ . 1 . 2]" 1
2358 1 46 LYS QG 1 90 TYR HA . . 4.830 3.724 2.399 4.837 0.007 2 0 "[ . 1 . 2]" 1
2359 1 46 LYS QG 1 90 TYR QE . . 4.820 3.508 2.422 4.451 . 0 0 "[ . 1 . 2]" 1
2360 1 46 LYS QE 1 47 GLY H . . 4.970 3.292 2.650 3.735 . 0 0 "[ . 1 . 2]" 1
2361 1 46 LYS QE 1 47 GLY QA . . 4.820 3.888 3.199 4.606 . 0 0 "[ . 1 . 2]" 1
2362 1 46 LYS QE 1 52 LEU QD . . 5.110 4.164 3.816 4.453 . 0 0 "[ . 1 . 2]" 1
2363 1 46 LYS QE 1 88 GLY H . . 4.770 3.192 2.590 3.587 . 0 0 "[ . 1 . 2]" 1
2364 1 46 LYS QE 1 88 GLY QA . . 3.380 2.203 1.829 3.164 . 0 0 "[ . 1 . 2]" 1
2365 1 46 LYS QE 1 89 ASN H . . 3.920 2.649 2.028 3.315 . 0 0 "[ . 1 . 2]" 1
2366 1 46 LYS QE 1 90 TYR QE . . 3.570 2.490 1.989 2.996 . 0 0 "[ . 1 . 2]" 1
2367 1 46 LYS QE 1 90 TYR HH . . 3.920 3.475 2.489 3.909 . 0 0 "[ . 1 . 2]" 1
2368 1 46 LYS QE 1 107 LEU QD . . 5.280 4.329 3.919 4.711 . 0 0 "[ . 1 . 2]" 1
2369 1 47 GLY QA 1 48 LYS HA . . 4.480 3.936 3.934 3.937 . 0 0 "[ . 1 . 2]" 1
2370 1 47 GLY QA 1 48 LYS QB . . 4.810 3.817 3.781 3.955 . 0 0 "[ . 1 . 2]" 1
2371 1 47 GLY QA 1 89 ASN HB2 . . 5.240 4.868 4.247 5.240 0.000 15 0 "[ . 1 . 2]" 1
2372 1 47 GLY QA 1 89 ASN HB3 . . 4.500 3.390 2.693 3.871 . 0 0 "[ . 1 . 2]" 1
2373 1 48 LYS H 1 48 LYS QB . . 3.620 2.363 2.274 2.404 . 0 0 "[ . 1 . 2]" 1
2374 1 48 LYS H 1 48 LYS QG . . 4.380 3.920 3.240 4.105 . 0 0 "[ . 1 . 2]" 1
2375 1 48 LYS HA 1 48 LYS QG . . 3.190 2.337 2.132 2.926 . 0 0 "[ . 1 . 2]" 1
2376 1 48 LYS HA 1 48 LYS QE . . 4.500 4.095 2.304 4.489 . 0 0 "[ . 1 . 2]" 1
2377 1 48 LYS QB 1 48 LYS QD . . 3.140 2.197 2.018 2.356 . 0 0 "[ . 1 . 2]" 1
2378 1 48 LYS QB 1 49 TRP H . . 3.770 2.320 2.150 2.464 . 0 0 "[ . 1 . 2]" 1
2379 1 48 LYS QB 1 49 TRP HE1 . . 4.530 3.119 2.353 4.223 . 0 0 "[ . 1 . 2]" 1
2380 1 48 LYS QE 1 48 LYS QG . . 2.890 2.251 2.032 2.604 . 0 0 "[ . 1 . 2]" 1
2381 1 48 LYS QG 1 49 TRP H . . 4.800 3.891 3.216 4.325 . 0 0 "[ . 1 . 2]" 1
2382 1 48 LYS QG 1 49 TRP HD1 . . 4.980 3.700 2.482 4.624 . 0 0 "[ . 1 . 2]" 1
2383 1 48 LYS QG 1 49 TRP HE1 . . 4.290 3.159 2.438 4.283 . 0 0 "[ . 1 . 2]" 1
2384 1 48 LYS QE 1 49 TRP HE1 . . 4.820 3.665 1.866 4.678 . 0 0 "[ . 1 . 2]" 1
2385 1 48 LYS QE 1 49 TRP HZ2 . . 4.670 3.919 3.134 4.687 0.017 9 0 "[ . 1 . 2]" 1
2386 1 49 TRP QB 1 49 TRP HD1 . . 3.390 2.652 2.536 2.768 . 0 0 "[ . 1 . 2]" 1
2387 1 49 TRP QB 1 49 TRP HE3 . . 3.660 2.522 2.406 2.716 . 0 0 "[ . 1 . 2]" 1
2388 1 49 TRP QB 1 49 TRP HE1 . . 4.480 4.448 4.409 4.482 0.002 10 0 "[ . 1 . 2]" 1
2389 1 49 TRP QB 1 50 MET H . . 4.020 3.082 2.650 3.876 . 0 0 "[ . 1 . 2]" 1
2390 1 50 MET H 1 50 MET QG . . 3.960 3.825 3.731 3.999 0.039 13 0 "[ . 1 . 2]" 1
2391 1 50 MET HA 1 50 MET QG . . 3.170 2.315 2.274 2.435 . 0 0 "[ . 1 . 2]" 1
2392 1 50 MET HA 1 51 ASP QB . . 4.290 4.072 4.009 4.123 . 0 0 "[ . 1 . 2]" 1
2393 1 50 MET HA 1 55 LYS QE . . 5.130 4.014 2.844 5.113 . 0 0 "[ . 1 . 2]" 1
2394 1 50 MET HB3 1 52 LEU QD . . 4.170 3.826 3.158 4.091 . 0 0 "[ . 1 . 2]" 1
2395 1 50 MET ME 1 50 MET QG . . 3.270 2.139 1.979 2.259 . 0 0 "[ . 1 . 2]" 1
2396 1 50 MET QG 1 51 ASP H . . 3.910 2.998 2.665 3.440 . 0 0 "[ . 1 . 2]" 1
2397 1 50 MET QG 1 52 LEU QD . . 3.600 3.601 3.513 3.698 0.098 8 0 "[ . 1 . 2]" 1
2398 1 50 MET QG 1 55 LYS QG . . 4.070 3.312 2.629 4.088 0.018 8 0 "[ . 1 . 2]" 1
2399 1 50 MET QG 1 55 LYS QD . . 4.760 4.091 3.477 4.764 0.004 15 0 "[ . 1 . 2]" 1
2400 1 50 MET QG 1 55 LYS QE . . 3.200 2.293 1.714 3.178 . 0 0 "[ . 1 . 2]" 1
2401 1 50 MET ME 1 52 LEU QD . . 2.980 1.758 1.645 1.913 . 0 0 "[ . 1 . 2]" 1
2402 1 50 MET ME 1 55 LYS QE . . 3.030 2.299 1.922 2.897 . 0 0 "[ . 1 . 2]" 1
2403 1 51 ASP QB 1 52 LEU H . . 4.240 3.881 3.637 3.977 . 0 0 "[ . 1 . 2]" 1
2404 1 52 LEU H 1 52 LEU QD . . 3.360 2.889 2.547 3.278 . 0 0 "[ . 1 . 2]" 1
2405 1 52 LEU HA 1 52 LEU QD . . 2.760 2.153 1.964 2.352 . 0 0 "[ . 1 . 2]" 1
2406 1 52 LEU HA 1 55 LYS QB . . 3.430 2.233 1.980 2.777 . 0 0 "[ . 1 . 2]" 1
2407 1 52 LEU HA 1 55 LYS QE . . 4.800 4.141 3.834 4.311 . 0 0 "[ . 1 . 2]" 1
2408 1 52 LEU HA 1 60 LEU QD . . 4.320 3.238 2.925 3.795 . 0 0 "[ . 1 . 2]" 1
2409 1 52 LEU QD 1 53 ALA H . . 4.150 4.058 3.972 4.153 0.003 16 0 "[ . 1 . 2]" 1
2410 1 52 LEU QD 1 55 LYS H . . 4.640 4.527 4.340 4.659 0.019 15 0 "[ . 1 . 2]" 1
2411 1 52 LEU QD 1 55 LYS QB . . 4.080 3.076 2.898 3.463 . 0 0 "[ . 1 . 2]" 1
2412 1 52 LEU QD 1 55 LYS QG . . 3.780 2.708 2.520 2.928 . 0 0 "[ . 1 . 2]" 1
2413 1 52 LEU QD 1 55 LYS QD . . 4.830 4.390 4.213 4.587 . 0 0 "[ . 1 . 2]" 1
2414 1 52 LEU QD 1 55 LYS QE . . 4.100 3.842 3.397 4.101 0.001 8 0 "[ . 1 . 2]" 1
2415 1 52 LEU QD 1 62 LEU MD2 . . 4.200 3.668 3.451 3.878 . 0 0 "[ . 1 . 2]" 1
2416 1 52 LEU QD 1 77 MET HG3 . . 4.510 4.020 3.255 4.478 . 0 0 "[ . 1 . 2]" 1
2417 1 52 LEU QD 1 77 MET ME . . 3.160 2.563 1.822 2.901 . 0 0 "[ . 1 . 2]" 1
2418 1 52 LEU QD 1 79 ILE MD . . 3.450 3.179 2.894 3.448 . 0 0 "[ . 1 . 2]" 1
2419 1 52 LEU QD 1 90 TYR QD . . 3.100 2.333 1.964 2.589 . 0 0 "[ . 1 . 2]" 1
2420 1 52 LEU QD 1 90 TYR QE . . 2.990 2.034 1.761 2.315 . 0 0 "[ . 1 . 2]" 1
2421 1 52 LEU QD 1 105 PHE QE . . 5.250 4.340 3.951 4.726 . 0 0 "[ . 1 . 2]" 1
2422 1 52 LEU QD 1 105 PHE HZ . . 5.440 4.099 3.745 4.735 . 0 0 "[ . 1 . 2]" 1
2423 1 53 ALA HA 1 60 LEU QD . . 4.020 3.900 3.717 4.039 0.019 15 0 "[ . 1 . 2]" 1
2424 1 53 ALA MB 1 60 LEU QD . . 5.190 4.792 4.650 4.912 . 0 0 "[ . 1 . 2]" 1
2425 1 54 SER H 1 54 SER QB . . 3.290 2.397 2.215 2.782 . 0 0 "[ . 1 . 2]" 1
2426 1 54 SER HA 1 54 SER QB . . 2.630 2.289 2.169 2.401 . 0 0 "[ . 1 . 2]" 1
2427 1 54 SER QB 1 55 LYS H . . 3.840 3.007 2.702 3.583 . 0 0 "[ . 1 . 2]" 1
2428 1 54 SER QB 1 55 LYS QG . . 4.400 3.474 3.162 4.309 . 0 0 "[ . 1 . 2]" 1
2429 1 55 LYS H 1 55 LYS QB . . 3.180 2.489 2.398 2.538 . 0 0 "[ . 1 . 2]" 1
2430 1 55 LYS H 1 55 LYS QD . . 4.170 3.581 3.444 3.722 . 0 0 "[ . 1 . 2]" 1
2431 1 55 LYS H 1 55 LYS QE . . 5.340 4.523 4.112 4.969 . 0 0 "[ . 1 . 2]" 1
2432 1 55 LYS H 1 60 LEU QD . . 4.230 3.800 3.501 4.129 . 0 0 "[ . 1 . 2]" 1
2433 1 55 LYS HA 1 55 LYS QD . . 2.920 2.307 2.111 2.507 . 0 0 "[ . 1 . 2]" 1
2434 1 55 LYS HA 1 55 LYS QE . . 5.340 4.298 4.127 4.455 . 0 0 "[ . 1 . 2]" 1
2435 1 55 LYS QB 1 55 LYS QD . . 3.090 2.200 2.087 2.387 . 0 0 "[ . 1 . 2]" 1
2436 1 55 LYS QB 1 56 ALA H . . 4.030 2.820 2.683 3.036 . 0 0 "[ . 1 . 2]" 1
2437 1 55 LYS QB 1 56 ALA MB . . 5.340 4.062 3.982 4.134 . 0 0 "[ . 1 . 2]" 1
2438 1 55 LYS QB 1 60 LEU QD . . 3.550 2.372 2.096 2.739 . 0 0 "[ . 1 . 2]" 1
2439 1 55 LYS QE 1 55 LYS QG . . 3.110 2.133 2.048 2.203 . 0 0 "[ . 1 . 2]" 1
2440 1 56 ALA H 1 60 LEU QD . . 3.970 2.485 2.286 2.730 . 0 0 "[ . 1 . 2]" 1
2441 1 56 ALA HA 1 57 GLY QA . . 4.520 3.917 3.910 3.926 . 0 0 "[ . 1 . 2]" 1
2442 1 56 ALA HA 1 60 LEU QD . . 3.080 2.063 1.875 2.298 . 0 0 "[ . 1 . 2]" 1
2443 1 56 ALA MB 1 57 GLY QA . . 3.930 3.750 3.676 3.791 . 0 0 "[ . 1 . 2]" 1
2444 1 56 ALA MB 1 60 LEU QD . . 3.200 2.035 1.906 2.324 . 0 0 "[ . 1 . 2]" 1
2445 1 57 GLY H 1 60 LEU QD . . 4.020 3.697 3.446 3.916 . 0 0 "[ . 1 . 2]" 1
2446 1 57 GLY QA 1 61 GLN HE21 . . 4.120 3.196 2.324 3.568 . 0 0 "[ . 1 . 2]" 1
2447 1 57 GLY QA 1 61 GLN HE22 . . 4.180 2.909 2.004 3.354 . 0 0 "[ . 1 . 2]" 1
2448 1 58 LYS H 1 58 LYS QG . . 4.080 3.656 2.377 4.124 0.044 19 0 "[ . 1 . 2]" 1
2449 1 58 LYS HA 1 58 LYS QG . . 3.250 2.500 2.264 3.258 0.008 3 0 "[ . 1 . 2]" 1
2450 1 58 LYS QB 1 59 HIS H . . 3.650 2.346 1.894 3.358 . 0 0 "[ . 1 . 2]" 1
2451 1 58 LYS QB 1 59 HIS QB . . 4.890 4.108 3.561 4.893 0.003 6 0 "[ . 1 . 2]" 1
2452 1 58 LYS QB 1 59 HIS HD2 . . 5.030 3.638 2.522 4.971 . 0 0 "[ . 1 . 2]" 1
2453 1 58 LYS QE 1 58 LYS QG . . 2.910 2.301 2.143 2.700 . 0 0 "[ . 1 . 2]" 1
2454 1 58 LYS QG 1 59 HIS H . . 4.520 3.425 1.918 4.241 . 0 0 "[ . 1 . 2]" 1
2455 1 58 LYS QG 1 59 HIS HA . . 5.340 4.228 2.886 5.420 0.080 12 0 "[ . 1 . 2]" 1
2456 1 59 HIS H 1 59 HIS QB . . 3.460 2.336 2.174 2.433 . 0 0 "[ . 1 . 2]" 1
2457 1 59 HIS QB 1 60 LEU H . . 3.690 3.003 2.727 3.505 . 0 0 "[ . 1 . 2]" 1
2458 1 59 HIS QB 1 60 LEU HB3 . . 5.320 4.121 3.953 4.628 . 0 0 "[ . 1 . 2]" 1
2459 1 59 HIS QB 1 79 ILE MG . . 4.730 4.273 4.195 4.393 . 0 0 "[ . 1 . 2]" 1
2460 1 59 HIS QB 1 80 ILE HB . . 4.560 4.060 3.509 4.420 . 0 0 "[ . 1 . 2]" 1
2461 1 59 HIS QB 1 81 LYS HB2 . . 5.340 3.164 2.515 3.779 . 0 0 "[ . 1 . 2]" 1
2462 1 59 HIS QB 1 86 PHE QE . . 3.970 3.589 3.328 3.860 . 0 0 "[ . 1 . 2]" 1
2463 1 59 HIS HD2 1 83 LYS QE . . 4.540 3.601 2.151 4.518 . 0 0 "[ . 1 . 2]" 1
2464 1 59 HIS HE1 1 81 LYS QD . . 4.070 2.333 1.987 2.504 . 0 0 "[ . 1 . 2]" 1
2465 1 59 HIS HE1 1 83 LYS QE . . 5.070 3.903 2.681 5.017 . 0 0 "[ . 1 . 2]" 1
2466 1 60 LEU H 1 60 LEU QD . . 3.950 3.876 3.697 3.990 0.040 14 0 "[ . 1 . 2]" 1
2467 1 60 LEU HA 1 60 LEU QD . . 3.000 2.672 2.538 3.140 0.140 8 0 "[ . 1 . 2]" 1
2468 1 60 LEU QD 1 61 GLN H . . 3.150 2.638 2.460 2.937 . 0 0 "[ . 1 . 2]" 1
2469 1 60 LEU QD 1 61 GLN HA . . 3.930 3.848 2.737 3.965 0.035 3 0 "[ . 1 . 2]" 1
2470 1 60 LEU QD 1 61 GLN HG2 . . 5.430 4.778 4.260 4.923 . 0 0 "[ . 1 . 2]" 1
2471 1 60 LEU QD 1 62 LEU H . . 4.120 4.075 2.930 4.151 0.031 4 0 "[ . 1 . 2]" 1
2472 1 60 LEU QD 1 77 MET HA . . 4.600 4.209 4.070 4.381 . 0 0 "[ . 1 . 2]" 1
2473 1 60 LEU QD 1 77 MET HG2 . . 3.750 2.776 2.577 3.069 . 0 0 "[ . 1 . 2]" 1
2474 1 60 LEU QD 1 77 MET HG3 . . 3.660 2.724 2.315 3.398 . 0 0 "[ . 1 . 2]" 1
2475 1 60 LEU QD 1 78 GLN H . . 4.080 4.096 4.071 4.161 0.081 8 0 "[ . 1 . 2]" 1
2476 1 60 LEU QD 1 78 GLN HB2 . . 5.440 5.399 5.261 5.458 0.018 4 0 "[ . 1 . 2]" 1
2477 1 60 LEU QD 1 78 GLN HB3 . . 5.180 4.750 4.530 4.837 . 0 0 "[ . 1 . 2]" 1
2478 1 60 LEU QD 1 79 ILE HA . . 3.550 2.472 2.344 2.962 . 0 0 "[ . 1 . 2]" 1
2479 1 60 LEU QD 1 79 ILE HB . . 4.150 4.022 3.942 4.189 0.039 8 0 "[ . 1 . 2]" 1
2480 1 60 LEU QD 1 80 ILE H . . 4.260 3.851 3.743 4.286 0.026 8 0 "[ . 1 . 2]" 1
2481 1 60 LEU QD 1 86 PHE QE . . 3.940 2.780 2.657 3.170 . 0 0 "[ . 1 . 2]" 1
2482 1 65 THR MG 1 67 GLU QG . . 3.780 3.454 3.147 3.736 . 0 0 "[ . 1 . 2]" 1
2483 1 66 PHE QE 1 71 ARG QB . . 4.430 3.811 3.497 4.204 . 0 0 "[ . 1 . 2]" 1
2484 1 66 PHE QE 1 71 ARG QD . . 5.000 4.734 4.568 4.935 . 0 0 "[ . 1 . 2]" 1
2485 1 66 PHE HZ 1 71 ARG QD . . 4.290 4.193 3.979 4.300 0.010 14 0 "[ . 1 . 2]" 1
2486 1 67 GLU H 1 67 GLU QG . . 3.550 3.463 3.227 3.585 0.035 4 0 "[ . 1 . 2]" 1
2487 1 67 GLU H 1 72 VAL QG . . 5.040 4.564 4.450 4.735 . 0 0 "[ . 1 . 2]" 1
2488 1 67 GLU HA 1 67 GLU QG . . 3.050 2.256 2.154 2.342 . 0 0 "[ . 1 . 2]" 1
2489 1 67 GLU HB3 1 70 SER QB . . 4.890 3.870 2.899 4.757 . 0 0 "[ . 1 . 2]" 1
2490 1 67 GLU HB3 1 72 VAL QG . . 5.440 4.787 4.420 5.140 . 0 0 "[ . 1 . 2]" 1
2491 1 67 GLU QG 1 68 ARG H . . 4.380 4.193 4.013 4.394 0.014 3 0 "[ . 1 . 2]" 1
2492 1 67 GLU QG 1 69 HIS H . . 4.900 4.404 4.130 4.906 0.006 16 0 "[ . 1 . 2]" 1
2493 1 67 GLU QG 1 69 HIS HE1 . . 4.870 3.620 3.044 4.844 . 0 0 "[ . 1 . 2]" 1
2494 1 67 GLU QG 1 70 SER H . . 5.340 4.881 4.522 5.134 . 0 0 "[ . 1 . 2]" 1
2495 1 67 GLU QG 1 72 VAL H . . 5.310 5.077 4.767 5.314 0.004 15 0 "[ . 1 . 2]" 1
2496 1 70 SER HA 1 71 ARG QB . . 5.180 4.104 3.935 4.267 . 0 0 "[ . 1 . 2]" 1
2497 1 70 SER HA 1 72 VAL QG . . 4.510 4.223 4.056 4.375 . 0 0 "[ . 1 . 2]" 1
2498 1 70 SER QB 1 71 ARG H . . 4.180 3.533 3.289 3.907 . 0 0 "[ . 1 . 2]" 1
2499 1 70 SER QB 1 72 VAL H . . 4.380 3.602 3.034 4.374 . 0 0 "[ . 1 . 2]" 1
2500 1 70 SER QB 1 72 VAL HB . . 4.310 3.263 2.823 4.046 . 0 0 "[ . 1 . 2]" 1
2501 1 70 SER QB 1 72 VAL QG . . 3.090 2.637 2.237 3.029 . 0 0 "[ . 1 . 2]" 1
2502 1 71 ARG H 1 71 ARG QB . . 3.690 3.309 3.164 3.400 . 0 0 "[ . 1 . 2]" 1
2503 1 71 ARG H 1 72 VAL QG . . 4.190 4.089 3.942 4.196 0.006 16 0 "[ . 1 . 2]" 1
2504 1 71 ARG QB 1 71 ARG QD . . 2.910 2.080 2.027 2.107 . 0 0 "[ . 1 . 2]" 1
2505 1 72 VAL H 1 72 VAL QG . . 2.990 2.851 2.720 2.993 0.003 14 0 "[ . 1 . 2]" 1
2506 1 72 VAL HA 1 72 VAL QG . . 2.790 2.124 2.070 2.180 . 0 0 "[ . 1 . 2]" 1
2507 1 72 VAL QG 1 73 TYR H . . 3.140 2.342 1.991 2.576 . 0 0 "[ . 1 . 2]" 1
2508 1 72 VAL QG 1 73 TYR HB2 . . 4.670 3.988 3.835 4.151 . 0 0 "[ . 1 . 2]" 1
2509 1 72 VAL QG 1 74 THR H . . 4.720 4.431 4.119 4.627 . 0 0 "[ . 1 . 2]" 1
2510 1 72 VAL QG 1 74 THR HA . . 4.320 4.096 3.831 4.261 . 0 0 "[ . 1 . 2]" 1
2511 1 75 PHE QD 1 94 VAL QG . . 5.390 3.523 2.747 4.263 . 0 0 "[ . 1 . 2]" 1
2512 1 75 PHE QE 1 94 VAL QG . . 4.530 2.864 2.112 3.540 . 0 0 "[ . 1 . 2]" 1
2513 1 80 ILE MG 1 81 LYS QD . . 4.400 4.019 3.926 4.150 . 0 0 "[ . 1 . 2]" 1
2514 1 81 LYS H 1 81 LYS QD . . 4.820 4.646 4.544 4.739 . 0 0 "[ . 1 . 2]" 1
2515 1 81 LYS HA 1 81 LYS QD . . 3.820 3.680 3.628 3.763 . 0 0 "[ . 1 . 2]" 1
2516 1 81 LYS HB2 1 81 LYS QD . . 3.340 2.634 2.570 2.671 . 0 0 "[ . 1 . 2]" 1
2517 1 81 LYS HB3 1 81 LYS QD . . 3.350 2.236 2.205 2.278 . 0 0 "[ . 1 . 2]" 1
2518 1 83 LYS HA 1 83 LYS QE . . 5.340 5.007 4.863 5.189 . 0 0 "[ . 1 . 2]" 1
2519 1 83 LYS HB2 1 83 LYS QE . . 4.060 3.828 3.688 4.080 0.020 7 0 "[ . 1 . 2]" 1
2520 1 83 LYS HB2 1 85 ASN QB . . 4.710 2.857 2.598 3.881 . 0 0 "[ . 1 . 2]" 1
2521 1 83 LYS HB3 1 84 ASP QB . . 4.560 4.323 4.023 4.497 . 0 0 "[ . 1 . 2]" 1
2522 1 83 LYS QE 1 83 LYS HG2 . . 3.400 2.697 2.472 3.062 . 0 0 "[ . 1 . 2]" 1
2523 1 83 LYS QE 1 86 PHE HZ . . 3.850 2.905 2.503 3.841 . 0 0 "[ . 1 . 2]" 1
2524 1 84 ASP H 1 84 ASP QB . . 3.160 2.221 2.134 2.509 . 0 0 "[ . 1 . 2]" 1
2525 1 84 ASP QB 1 85 ASN H . . 3.930 3.534 3.024 3.757 . 0 0 "[ . 1 . 2]" 1
2526 1 84 ASP QB 1 87 ALA H . . 5.340 4.982 4.735 5.211 . 0 0 "[ . 1 . 2]" 1
2527 1 84 ASP QB 1 87 ALA MB . . 4.250 4.112 3.964 4.276 0.026 20 0 "[ . 1 . 2]" 1
2528 1 84 ASP QB 1 109 VAL HB . . 4.150 3.843 3.715 4.088 . 0 0 "[ . 1 . 2]" 1
2529 1 84 ASP QB 1 109 VAL MG1 . . 3.600 3.371 3.167 3.645 0.045 13 0 "[ . 1 . 2]" 1
2530 1 84 ASP QB 1 109 VAL MG2 . . 4.890 4.417 4.253 4.534 . 0 0 "[ . 1 . 2]" 1
2531 1 85 ASN H 1 85 ASN QB . . 3.590 2.342 2.133 2.822 . 0 0 "[ . 1 . 2]" 1
2532 1 85 ASN QB 1 86 PHE H . . 3.960 3.121 2.943 3.540 . 0 0 "[ . 1 . 2]" 1
2533 1 85 ASN QB 1 87 ALA H . . 5.340 4.568 4.310 4.728 . 0 0 "[ . 1 . 2]" 1
2534 1 86 PHE H 1 107 LEU QD . . 5.100 4.806 4.679 5.008 . 0 0 "[ . 1 . 2]" 1
2535 1 86 PHE HB2 1 107 LEU QD . . 3.750 3.426 3.272 3.697 . 0 0 "[ . 1 . 2]" 1
2536 1 86 PHE HB3 1 107 LEU QD . . 3.530 2.862 2.652 3.040 . 0 0 "[ . 1 . 2]" 1
2537 1 86 PHE QD 1 107 LEU QD . . 4.480 4.146 3.663 4.356 . 0 0 "[ . 1 . 2]" 1
2538 1 87 ALA H 1 107 LEU QD . . 4.160 3.894 3.625 4.179 0.019 11 0 "[ . 1 . 2]" 1
2539 1 87 ALA HA 1 88 GLY QA . . 4.380 3.926 3.912 3.980 . 0 0 "[ . 1 . 2]" 1
2540 1 87 ALA HA 1 107 LEU QD . . 3.430 2.216 1.963 2.807 . 0 0 "[ . 1 . 2]" 1
2541 1 87 ALA MB 1 88 GLY QA . . 3.850 3.665 3.498 3.757 . 0 0 "[ . 1 . 2]" 1
2542 1 87 ALA MB 1 107 LEU QD . . 4.720 2.995 2.739 3.774 . 0 0 "[ . 1 . 2]" 1
2543 1 87 ALA MB 1 108 GLU QG . . 4.620 3.921 3.510 4.369 . 0 0 "[ . 1 . 2]" 1
2544 1 88 GLY H 1 107 LEU QD . . 3.920 3.377 3.116 3.895 . 0 0 "[ . 1 . 2]" 1
2545 1 88 GLY QA 1 89 ASN H . . 2.840 2.149 2.109 2.229 . 0 0 "[ . 1 . 2]" 1
2546 1 88 GLY QA 1 89 ASN HA . . 4.590 3.941 3.931 3.970 . 0 0 "[ . 1 . 2]" 1
2547 1 88 GLY QA 1 89 ASN HB2 . . 4.260 4.213 4.094 4.272 0.012 16 0 "[ . 1 . 2]" 1
2548 1 88 GLY QA 1 89 ASN HB3 . . 4.550 4.334 4.177 4.466 . 0 0 "[ . 1 . 2]" 1
2549 1 90 TYR QD 1 107 LEU QD . . 4.690 4.137 3.472 4.394 . 0 0 "[ . 1 . 2]" 1
2550 1 90 TYR QE 1 107 LEU QD . . 3.230 2.956 2.088 3.236 0.006 13 0 "[ . 1 . 2]" 1
2551 1 90 TYR HH 1 107 LEU QD . . 3.720 2.916 2.130 3.652 . 0 0 "[ . 1 . 2]" 1
2552 1 91 ARG QB 1 92 CYS H . . 3.820 3.634 3.250 3.818 . 0 0 "[ . 1 . 2]" 1
2553 1 91 ARG QB 1 104 SER HA . . 4.570 4.100 3.752 4.405 . 0 0 "[ . 1 . 2]" 1
2554 1 91 ARG QB 1 104 SER QB . . 4.060 3.465 3.012 3.991 . 0 0 "[ . 1 . 2]" 1
2555 1 91 ARG QG 1 92 CYS QB . . 4.980 4.502 4.122 4.877 . 0 0 "[ . 1 . 2]" 1
2556 1 91 ARG QG 1 104 SER HA . . 5.330 3.663 3.004 4.682 . 0 0 "[ . 1 . 2]" 1
2557 1 91 ARG QG 1 104 SER QB . . 4.130 2.923 2.145 4.136 0.006 11 0 "[ . 1 . 2]" 1
2558 1 91 ARG QD 1 104 SER QB . . 5.340 3.935 2.152 5.289 . 0 0 "[ . 1 . 2]" 1
2559 1 93 GLU H 1 93 GLU QG . . 4.280 3.358 3.009 4.066 . 0 0 "[ . 1 . 2]" 1
2560 1 93 GLU QG 1 94 VAL H . . 4.540 4.015 3.763 4.415 . 0 0 "[ . 1 . 2]" 1
2561 1 93 GLU QG 1 100 PHE QD . . 5.340 5.130 4.682 5.345 0.005 6 0 "[ . 1 . 2]" 1
2562 1 93 GLU QG 1 100 PHE QE . . 3.880 3.074 2.614 3.394 . 0 0 "[ . 1 . 2]" 1
2563 1 93 GLU QG 1 100 PHE HZ . . 4.130 2.942 2.182 4.088 . 0 0 "[ . 1 . 2]" 1
2564 1 93 GLU QG 1 102 SER QB . . 3.700 2.520 1.830 3.623 . 0 0 "[ . 1 . 2]" 1
2565 1 94 VAL QG 1 95 THR H . . 4.090 2.870 2.303 3.587 . 0 0 "[ . 1 . 2]" 1
2566 1 94 VAL QG 1 101 ASP H . . 5.440 3.353 1.990 4.284 . 0 0 "[ . 1 . 2]" 1
2567 1 95 THR MG 1 100 PHE QB . . 3.330 2.068 1.825 2.497 . 0 0 "[ . 1 . 2]" 1
2568 1 96 TYR QD 1 97 LYS QG . . 4.290 3.096 2.650 3.559 . 0 0 "[ . 1 . 2]" 1
2569 1 96 TYR QD 1 97 LYS QD . . 3.800 3.156 2.778 3.651 . 0 0 "[ . 1 . 2]" 1
2570 1 96 TYR QD 1 97 LYS QE . . 5.330 4.622 3.733 5.306 . 0 0 "[ . 1 . 2]" 1
2571 1 96 TYR QE 1 97 LYS QD . . 4.120 3.294 2.090 4.074 . 0 0 "[ . 1 . 2]" 1
2572 1 96 TYR QE 1 97 LYS QE . . 5.340 4.202 3.330 5.121 . 0 0 "[ . 1 . 2]" 1
2573 1 97 LYS H 1 97 LYS QD . . 4.800 2.533 1.882 3.949 . 0 0 "[ . 1 . 2]" 1
2574 1 97 LYS HA 1 97 LYS QG . . 3.350 2.992 2.450 3.291 . 0 0 "[ . 1 . 2]" 1
2575 1 97 LYS HA 1 97 LYS QD . . 4.060 2.837 2.043 4.149 0.089 10 0 "[ . 1 . 2]" 1
2576 1 97 LYS HA 1 97 LYS QE . . 4.490 4.089 3.356 4.548 0.058 20 0 "[ . 1 . 2]" 1
2577 1 97 LYS QB 1 97 LYS QE . . 3.780 2.958 2.337 3.554 . 0 0 "[ . 1 . 2]" 1
2578 1 97 LYS QB 1 98 ASP H . . 3.320 2.221 1.877 2.578 . 0 0 "[ . 1 . 2]" 1
2579 1 97 LYS QB 1 98 ASP HA . . 4.650 3.895 3.641 4.145 . 0 0 "[ . 1 . 2]" 1
2580 1 97 LYS QB 1 98 ASP QB . . 4.500 3.927 3.298 4.371 . 0 0 "[ . 1 . 2]" 1
2581 1 97 LYS QE 1 97 LYS QG . . 3.040 2.139 2.055 2.208 . 0 0 "[ . 1 . 2]" 1
2582 1 97 LYS QG 1 98 ASP H . . 4.200 3.643 3.261 3.941 . 0 0 "[ . 1 . 2]" 1
2583 1 97 LYS QD 1 98 ASP H . . 4.630 4.113 3.750 4.312 . 0 0 "[ . 1 . 2]" 1
2584 1 98 ASP HA 1 99 LYS QG . . 4.270 4.009 3.732 4.408 0.138 13 0 "[ . 1 . 2]" 1
2585 1 98 ASP QB 1 99 LYS H . . 3.970 2.603 1.887 3.793 . 0 0 "[ . 1 . 2]" 1
2586 1 99 LYS H 1 99 LYS QB . . 3.220 2.745 2.617 3.234 0.014 15 0 "[ . 1 . 2]" 1
2587 1 99 LYS H 1 99 LYS QG . . 3.540 2.925 2.020 3.256 . 0 0 "[ . 1 . 2]" 1
2588 1 99 LYS QB 1 99 LYS QD . . 3.480 2.216 2.072 2.450 . 0 0 "[ . 1 . 2]" 1
2589 1 99 LYS QB 1 100 PHE H . . 4.220 2.642 2.279 3.501 . 0 0 "[ . 1 . 2]" 1
2590 1 99 LYS QG 1 100 PHE H . . 4.950 4.200 3.776 4.672 . 0 0 "[ . 1 . 2]" 1
2591 1 100 PHE QB 1 101 ASP H . . 3.860 3.573 2.369 3.786 . 0 0 "[ . 1 . 2]" 1
2592 1 107 LEU H 1 107 LEU QD . . 3.840 3.696 3.618 3.868 0.028 3 0 "[ . 1 . 2]" 1
2593 1 107 LEU HA 1 107 LEU QD . . 2.810 2.023 1.869 2.643 . 0 0 "[ . 1 . 2]" 1
2594 1 107 LEU HA 1 108 GLU QG . . 4.680 4.365 4.061 4.705 0.025 18 0 "[ . 1 . 2]" 1
2595 1 107 LEU HB3 1 107 LEU QD . . 2.890 2.132 2.050 2.260 . 0 0 "[ . 1 . 2]" 1
2596 1 107 LEU QD 1 108 GLU H . . 2.890 1.926 1.785 2.111 . 0 0 "[ . 1 . 2]" 1
2597 1 107 LEU QD 1 108 GLU HB2 . . 3.860 3.674 3.605 3.831 . 0 0 "[ . 1 . 2]" 1
2598 1 107 LEU QD 1 108 GLU HB3 . . 4.770 4.282 4.145 4.634 . 0 0 "[ . 1 . 2]" 1
2599 1 107 LEU QD 1 109 VAL HA . . 4.490 3.609 3.436 4.180 . 0 0 "[ . 1 . 2]" 1
2600 1 107 LEU QD 1 109 VAL MG2 . . 3.680 2.144 1.978 2.855 . 0 0 "[ . 1 . 2]" 1
2601 1 108 GLU HB3 1 108 GLU QG . . 2.620 2.298 2.140 2.398 . 0 0 "[ . 1 . 2]" 1
2602 1 108 GLU QG 1 109 VAL H . . 4.020 3.630 3.389 4.044 0.024 12 0 "[ . 1 . 2]" 1
2603 1 108 GLU QG 1 110 HIS HD2 . . 4.800 4.539 4.304 4.782 . 0 0 "[ . 1 . 2]" 1
2604 1 111 GLU HA 1 112 SER QB . . 4.830 4.080 4.056 4.091 . 0 0 "[ . 1 . 2]" 1
2605 1 112 SER HA 1 112 SER QB . . 2.620 2.355 2.269 2.431 . 0 0 "[ . 1 . 2]" 1
2606 1 116 THR HA 1 117 PRO QD . . 2.450 2.024 1.978 2.080 . 0 0 "[ . 1 . 2]" 1
2607 1 116 THR HB 1 117 PRO QD . . 3.340 2.241 2.022 2.445 . 0 0 "[ . 1 . 2]" 1
2608 1 116 THR MG 1 117 PRO QD . . 3.430 2.970 2.773 3.175 . 0 0 "[ . 1 . 2]" 1
2609 1 118 ASN QB 1 119 ILE H . . 3.420 2.523 2.115 3.227 . 0 0 "[ . 1 . 2]" 1
2610 1 119 ILE H 1 119 ILE QG . . 3.230 2.647 1.896 3.195 . 0 0 "[ . 1 . 2]" 1
2611 1 119 ILE HA 1 119 ILE QG . . 3.490 2.501 2.247 2.931 . 0 0 "[ . 1 . 2]" 1
2612 1 119 ILE QG 1 119 ILE MG . . 3.200 2.149 1.962 2.429 . 0 0 "[ . 1 . 2]" 1
2613 1 119 ILE MG 1 120 ASP QB . . 4.470 3.828 2.593 4.332 . 0 0 "[ . 1 . 2]" 1
2614 1 120 ASP H 1 120 ASP QB . . 3.280 2.493 2.178 3.137 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 14
_Distance_constraint_stats_list.Viol_total 3.185
_Distance_constraint_stats_list.Viol_max 0.023
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0114
_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 10 PHE 0.159 0.023 15 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ILE 0.159 0.023 15 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 10 PHE HZ 1 29 ALA MB . . 2.800 2.020 1.813 2.465 . 0 0 "[ . 1 . 2]" 2
2 1 10 PHE HZ 1 42 ILE MD . . 2.800 2.770 2.315 2.823 0.023 15 0 "[ . 1 . 2]" 2
stop_
save_
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