NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394662 |
1rfo   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rfo
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 1796
_Distance_constraint_stats_list.Viol_count 3334
_Distance_constraint_stats_list.Viol_total 3673.636
_Distance_constraint_stats_list.Viol_max 2.244
_Distance_constraint_stats_list.Viol_rms 0.0697
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0205
_Distance_constraint_stats_list.Viol_average_violations_only 0.1102
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 1.186 0.169 7 0 "[ . 1]"
1 2 TYR 6.247 0.444 5 0 "[ . 1]"
1 3 ILE 5.716 0.713 7 2 "[ - . + 1]"
1 4 PRO 2.414 0.371 1 0 "[ . 1]"
1 5 GLU 4.224 0.697 1 1 "[+ . 1]"
1 6 ALA 1.441 0.248 10 0 "[ . 1]"
1 7 PRO 1.389 0.648 10 1 "[ . +]"
1 8 ARG 6.034 0.613 5 1 "[ + 1]"
1 9 ASP 2.199 0.365 6 0 "[ . 1]"
1 10 GLY 0.854 0.187 6 0 "[ . 1]"
1 11 GLN 11.405 0.993 3 3 "[ *+ . - 1]"
1 12 ALA 5.370 0.302 5 0 "[ . 1]"
1 13 TYR 29.864 0.781 8 3 "[ . -+ *]"
1 14 VAL 11.208 0.934 8 2 "[ . -+ 1]"
1 15 ARG 20.368 1.423 4 2 "[ +. -1]"
1 16 LYS 7.032 0.804 1 1 "[+ . 1]"
1 17 ASP 5.980 0.462 5 0 "[ . 1]"
1 18 GLY 1.182 0.670 10 1 "[ . +]"
1 19 GLU 6.430 0.435 6 0 "[ . 1]"
1 20 TRP 19.738 0.713 7 2 "[ - . + 1]"
1 21 VAL 9.347 0.363 6 0 "[ . 1]"
1 22 LEU 13.433 0.794 2 1 "[ + . 1]"
1 23 LEU 9.961 0.952 4 1 "[ +. 1]"
1 24 SER 2.984 0.690 9 1 "[ . +1]"
1 25 THR 0.018 0.012 7 0 "[ . 1]"
1 26 PHE 15.746 0.952 4 4 "[* +.* -]"
1 27 LEU 6.862 0.690 9 1 "[ . +1]"
2 1 GLY 1.518 0.369 6 0 "[ . 1]"
2 2 TYR 3.222 0.369 6 0 "[ . 1]"
2 3 ILE 9.328 0.892 10 2 "[- . +]"
2 4 PRO 3.539 0.425 6 0 "[ . 1]"
2 5 GLU 5.875 1.191 7 1 "[ . + 1]"
2 6 ALA 0.440 0.217 4 0 "[ . 1]"
2 7 PRO 3.361 0.838 8 2 "[ . + -]"
2 8 ARG 5.812 0.694 10 1 "[ . +]"
2 9 ASP 2.342 0.383 7 0 "[ . 1]"
2 10 GLY 0.636 0.117 3 0 "[ . 1]"
2 11 GLN 13.560 0.543 6 1 "[ .+ 1]"
2 12 ALA 6.076 0.500 2 0 "[ . 1]"
2 13 TYR 30.450 0.838 8 3 "[ .- + *]"
2 14 VAL 13.033 0.733 2 2 "[ + . - 1]"
2 15 ARG 17.399 0.733 2 3 "[ + * -1]"
2 16 LYS 6.090 0.475 1 0 "[ . 1]"
2 17 ASP 5.781 0.613 5 1 "[ + 1]"
2 18 GLY 0.083 0.062 7 0 "[ . 1]"
2 19 GLU 5.784 0.678 5 1 "[ + 1]"
2 20 TRP 20.797 0.892 10 2 "[ . -+]"
2 21 VAL 9.870 0.415 9 0 "[ . 1]"
2 22 LEU 14.002 0.418 10 0 "[ . 1]"
2 23 LEU 13.856 2.161 5 1 "[ + 1]"
2 24 SER 4.540 2.161 5 1 "[ + 1]"
2 25 THR 0.000 0.000 . 0 "[ . 1]"
2 26 PHE 13.734 0.603 7 1 "[ . + 1]"
2 27 LEU 7.505 0.720 6 3 "[* .+- 1]"
3 1 GLY 0.589 0.165 2 0 "[ . 1]"
3 2 TYR 3.880 0.286 2 0 "[ . 1]"
3 3 ILE 10.626 0.824 10 2 "[ -. +]"
3 4 PRO 4.253 0.444 5 0 "[ . 1]"
3 5 GLU 5.549 1.423 4 2 "[ +. * 1]"
3 6 ALA 0.583 0.131 7 0 "[ . 1]"
3 7 PRO 1.218 0.564 8 1 "[ . + 1]"
3 8 ARG 7.812 1.043 8 2 "[ . + -]"
3 9 ASP 2.600 0.348 3 0 "[ . 1]"
3 10 GLY 1.460 0.168 3 0 "[ . 1]"
3 11 GLN 14.288 0.804 1 3 "[+ *- 1]"
3 12 ALA 3.554 0.213 9 0 "[ . 1]"
3 13 TYR 28.087 0.646 2 3 "[ + . -*1]"
3 14 VAL 11.796 0.646 2 3 "[ + -* 1]"
3 15 ARG 19.970 1.191 7 3 "[ -.*+ 1]"
3 16 LYS 5.938 0.520 5 1 "[ + 1]"
3 17 ASP 6.018 0.694 10 1 "[ . +]"
3 18 GLY 0.645 0.278 3 0 "[ . 1]"
3 19 GLU 6.188 0.419 5 0 "[ . 1]"
3 20 TRP 21.744 0.824 10 1 "[ . +]"
3 21 VAL 8.891 0.411 5 0 "[ . 1]"
3 22 LEU 12.257 0.407 9 0 "[ . 1]"
3 23 LEU 17.424 2.244 8 4 "[ -.* + *]"
3 24 SER 4.513 2.244 8 1 "[ . + 1]"
3 25 THR 0.012 0.012 10 0 "[ . 1]"
3 26 PHE 15.957 1.101 4 4 "[ +.*- *]"
3 27 LEU 5.562 0.514 10 1 "[ . +]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 TYR HA 3.070 . 3.959 4.004 3.965 4.038 0.079 8 0 "[ . 1]" 1
2 1 1 GLY QA 1 2 TYR QD 3.580 . 4.826 3.732 2.849 4.429 . 0 0 "[ . 1]" 1
3 1 2 TYR HA 1 3 ILE H 2.660 . 3.262 2.387 2.304 2.483 . 0 0 "[ . 1]" 1
4 1 2 TYR HA 1 3 ILE QG 3.125 . 3.925 3.660 3.466 3.884 . 0 0 "[ . 1]" 1
5 1 2 TYR HB2 2 2 TYR QE 3.015 . 3.865 2.234 1.896 2.947 . 0 0 "[ . 1]" 1
6 1 2 TYR HB2 3 4 PRO HA 3.145 . 4.087 4.192 4.113 4.313 0.226 5 0 "[ . 1]" 1
7 1 2 TYR HB3 2 2 TYR QE 3.015 . 3.865 3.075 2.337 3.853 . 0 0 "[ . 1]" 1
8 1 2 TYR HB3 3 4 PRO HA 3.145 . 4.087 3.600 3.258 4.530 0.444 5 0 "[ . 1]" 1
9 1 2 TYR QB 1 3 ILE HA 3.005 . 4.848 4.257 4.141 4.320 . 0 0 "[ . 1]" 1
10 1 2 TYR QB 2 2 TYR QE 2.945 . 3.747 2.124 1.872 2.484 . 0 0 "[ . 1]" 1
11 1 2 TYR QB 3 4 PRO HA 3.065 . 3.951 3.385 3.152 3.931 . 0 0 "[ . 1]" 1
12 1 2 TYR QD 3 3 ILE H . . 4.121 4.178 3.958 4.286 0.165 5 0 "[ . 1]" 1
13 1 2 TYR QD 3 4 PRO HA 2.700 . 3.330 1.943 1.694 2.697 0.106 4 0 "[ . 1]" 1
14 1 2 TYR QD 3 4 PRO QB 4.950 . 7.155 2.799 2.354 3.211 . 0 0 "[ . 1]" 1
15 1 2 TYR QE 3 2 TYR HB2 3.015 . 3.865 2.513 1.881 3.188 . 0 0 "[ . 1]" 1
16 1 2 TYR QE 3 2 TYR HB3 3.015 . 3.865 3.571 2.547 3.878 0.012 2 0 "[ . 1]" 1
17 1 2 TYR QE 3 2 TYR QB 2.945 . 3.747 2.448 1.835 3.003 . 0 0 "[ . 1]" 1
18 1 2 TYR QE 3 4 PRO HA 3.170 . 4.129 3.691 3.409 3.952 . 0 0 "[ . 1]" 1
19 1 2 TYR QE 3 4 PRO QB 5.240 . 7.648 3.075 2.271 3.943 . 0 0 "[ . 1]" 1
20 1 2 TYR QE 3 4 PRO QD 3.655 . 4.953 3.990 3.432 4.480 . 0 0 "[ . 1]" 1
21 1 3 ILE H 1 3 ILE HB 2.895 . 3.661 3.605 3.519 3.694 0.032 4 0 "[ . 1]" 1
22 1 3 ILE H 1 3 ILE QG 2.780 . 3.466 1.861 1.764 1.960 0.036 9 0 "[ . 1]" 1
23 1 3 ILE H 2 2 TYR HD2 3.165 . 4.121 3.959 3.266 4.185 0.064 8 0 "[ . 1]" 1
24 1 3 ILE HA 1 3 ILE MG 2.535 . 3.049 2.168 2.007 2.303 . 0 0 "[ . 1]" 1
25 1 3 ILE HA 1 3 ILE QG 2.955 . 3.763 3.265 3.223 3.308 . 0 0 "[ . 1]" 1
26 1 3 ILE HA 1 4 PRO QG 3.480 . 4.656 3.818 3.724 3.970 . 0 0 "[ . 1]" 1
27 1 3 ILE HA 1 4 PRO HD2 2.515 . 3.016 3.028 2.990 3.069 0.053 3 0 "[ . 1]" 1
28 1 3 ILE HA 1 4 PRO HD3 2.515 . 3.016 1.962 1.897 2.078 . 0 0 "[ . 1]" 1
29 1 3 ILE HA 1 4 PRO QD 2.420 . 2.854 1.939 1.879 2.042 . 0 0 "[ . 1]" 1
30 1 3 ILE HB 1 3 ILE MD 2.530 . 3.041 2.352 2.152 2.504 . 0 0 "[ . 1]" 1
31 1 3 ILE HB 1 4 PRO HA 3.200 . 4.180 4.356 4.295 4.551 0.371 1 0 "[ . 1]" 1
32 1 3 ILE HB 1 4 PRO HD2 2.810 . 3.517 2.186 2.028 2.445 . 0 0 "[ . 1]" 1
33 1 3 ILE HB 1 4 PRO HD3 2.810 . 3.517 2.921 2.731 3.027 . 0 0 "[ . 1]" 1
34 1 3 ILE HB 1 4 PRO QD 2.695 . 3.322 2.126 1.981 2.345 . 0 0 "[ . 1]" 1
35 1 3 ILE HB 1 20 TRP HZ2 3.055 . 3.934 3.236 2.969 3.435 . 0 0 "[ . 1]" 1
36 1 3 ILE HB 3 20 TRP HZ2 3.365 . 5.460 5.030 4.918 5.119 . 0 0 "[ . 1]" 1
37 1 3 ILE QG 1 3 ILE MG 2.585 . 2.981 2.343 2.118 2.433 . 0 0 "[ . 1]" 1
38 1 3 ILE MG 1 4 PRO HD2 2.815 . 3.526 2.840 2.407 3.227 . 0 0 "[ . 1]" 1
39 1 3 ILE MG 1 4 PRO HD3 2.815 . 3.526 2.911 2.495 3.206 . 0 0 "[ . 1]" 1
40 1 3 ILE MG 1 4 PRO QD 2.705 . 3.339 2.555 2.251 2.837 . 0 0 "[ . 1]" 1
41 1 3 ILE MG 1 15 ARG HD3 2.675 . 3.287 2.934 2.060 3.378 0.091 3 0 "[ . 1]" 1
42 1 3 ILE MG 3 5 GLU H 3.615 . 4.885 3.734 3.595 4.028 . 0 0 "[ . 1]" 1
43 1 3 ILE MG 3 5 GLU HA 2.595 . 3.151 1.747 1.701 1.793 0.099 1 0 "[ . 1]" 1
44 1 3 ILE MG 3 5 GLU HB2 3.030 . 3.891 2.091 1.927 2.759 . 0 0 "[ . 1]" 1
45 1 3 ILE MG 3 5 GLU HB3 3.030 . 3.891 3.370 3.243 3.928 0.037 7 0 "[ . 1]" 1
46 1 3 ILE MG 3 5 GLU QB 2.930 . 3.721 2.070 1.914 2.707 . 0 0 "[ . 1]" 1
47 1 3 ILE MG 3 6 ALA H 3.550 . 4.775 2.162 1.798 2.515 0.002 8 0 "[ . 1]" 1
48 1 3 ILE MD 1 3 ILE MG 2.500 . 2.990 1.906 1.718 2.288 0.082 4 0 "[ . 1]" 1
49 1 3 ILE QG 1 4 PRO HD2 3.275 . 5.307 4.146 3.855 4.320 . 0 0 "[ . 1]" 1
50 1 3 ILE QG 1 4 PRO HD3 3.275 . 5.307 4.431 4.319 4.515 . 0 0 "[ . 1]" 1
51 1 3 ILE QG 3 20 TRP HZ2 3.040 . 3.908 2.888 2.672 3.088 . 0 0 "[ . 1]" 1
52 1 3 ILE QG 3 5 GLU HA 3.035 . 3.899 2.584 2.247 3.293 . 0 0 "[ . 1]" 1
53 1 3 ILE QG 1 20 TRP HE1 3.330 . 4.401 4.557 4.364 5.114 0.713 7 2 "[ - . + 1]" 1
54 1 3 ILE QG 1 4 PRO QD 3.145 . 4.087 3.804 3.605 3.920 . 0 0 "[ . 1]" 1
55 1 3 ILE QG 1 20 TRP HZ2 2.920 . 3.704 2.977 2.590 3.504 . 0 0 "[ . 1]" 1
56 1 3 ILE QG 3 20 TRP HH2 3.830 . 5.251 4.425 4.223 4.764 . 0 0 "[ . 1]" 1
57 1 3 ILE MD 1 20 TRP HE1 3.305 . 4.359 3.877 3.565 4.163 . 0 0 "[ . 1]" 1
58 1 3 ILE MD 1 20 TRP HZ2 3.170 . 4.129 1.917 1.786 2.121 0.014 6 0 "[ . 1]" 1
59 1 3 ILE MD 3 5 GLU HA 2.580 . 3.126 3.063 2.826 3.481 0.355 7 0 "[ . 1]" 1
60 1 3 ILE MD 3 20 TRP HZ2 2.435 . 2.879 1.759 1.734 1.804 0.066 3 0 "[ . 1]" 1
61 1 3 ILE MD 3 20 TRP HH2 2.575 . 3.118 2.536 2.314 2.869 . 0 0 "[ . 1]" 1
62 1 4 PRO HA 1 5 GLU H 2.645 . 3.237 2.137 2.056 2.206 . 0 0 "[ . 1]" 1
63 1 4 PRO HA 2 2 TYR HB2 3.145 . 4.087 4.106 4.039 4.170 0.084 8 0 "[ . 1]" 1
64 1 4 PRO HA 2 2 TYR HB3 3.145 . 4.087 3.850 3.481 4.017 . 0 0 "[ . 1]" 1
65 1 4 PRO HA 2 2 TYR QB 3.065 . 3.951 3.528 3.288 3.643 . 0 0 "[ . 1]" 1
66 1 4 PRO HA 2 2 TYR QD 2.700 . 3.330 2.584 2.340 2.813 . 0 0 "[ . 1]" 1
67 1 4 PRO HA 2 2 TYR QE 3.170 . 4.129 3.453 3.196 3.709 . 0 0 "[ . 1]" 1
68 1 4 PRO QB 2 2 TYR QD 4.950 . 7.155 2.810 2.649 3.027 . 0 0 "[ . 1]" 1
69 1 4 PRO QB 2 2 TYR QE 5.240 . 7.648 2.392 2.236 2.704 . 0 0 "[ . 1]" 1
70 1 4 PRO QG 1 20 TRP HD1 3.710 . 5.047 4.714 4.514 4.941 . 0 0 "[ . 1]" 1
71 1 4 PRO QG 1 20 TRP HE1 3.920 . 5.404 4.261 3.991 4.541 . 0 0 "[ . 1]" 1
72 1 4 PRO HD2 1 15 ARG HG2 4.015 . 5.565 5.379 5.186 5.590 0.024 2 0 "[ . 1]" 1
73 1 4 PRO HD2 1 15 ARG HG3 4.015 . 5.565 5.521 5.360 5.626 0.060 7 0 "[ . 1]" 1
74 1 4 PRO QD 2 2 TYR QE 3.655 . 4.953 4.053 3.749 4.210 . 0 0 "[ . 1]" 1
75 1 5 GLU H 1 5 GLU HB2 2.690 2.312 2.825 2.598 2.522 2.674 . 0 0 "[ . 1]" 1
76 1 5 GLU H 1 5 GLU HB3 2.690 2.320 2.840 2.347 2.294 2.470 0.026 4 0 "[ . 1]" 1
77 1 5 GLU H 1 5 GLU HG2 3.320 . 4.384 4.424 4.355 4.500 0.116 5 0 "[ . 1]" 1
78 1 5 GLU H 1 5 GLU HG3 3.320 . 4.384 4.369 4.332 4.425 0.041 10 0 "[ . 1]" 1
79 1 5 GLU H 1 5 GLU QG 3.650 . 4.945 3.915 3.891 3.957 . 0 0 "[ . 1]" 1
80 1 5 GLU H 2 3 ILE MG 3.615 . 4.885 3.672 3.551 3.776 . 0 0 "[ . 1]" 1
81 1 5 GLU HA 1 5 GLU HG2 2.980 . 3.806 3.810 3.515 3.913 0.107 4 0 "[ . 1]" 1
82 1 5 GLU HA 1 5 GLU HG3 2.980 . 3.806 2.769 2.553 2.905 . 0 0 "[ . 1]" 1
83 1 5 GLU HA 1 5 GLU QG 2.895 . 3.661 2.705 2.510 2.831 . 0 0 "[ . 1]" 1
84 1 5 GLU HA 1 6 ALA H 2.655 . 3.253 2.173 2.139 2.196 . 0 0 "[ . 1]" 1
85 1 5 GLU HA 1 20 TRP HE1 3.205 . 4.188 3.102 2.805 3.281 . 0 0 "[ . 1]" 1
86 1 5 GLU HA 2 3 ILE MG 2.595 . 3.151 1.769 1.683 1.861 0.117 6 0 "[ . 1]" 1
87 1 5 GLU HA 2 3 ILE HG12 3.035 . 3.899 2.568 2.360 3.098 . 0 0 "[ . 1]" 1
88 1 5 GLU HA 2 3 ILE HG13 3.035 . 3.899 4.126 3.989 4.596 0.697 1 1 "[+ . 1]" 1
89 1 5 GLU HA 2 3 ILE MD 2.580 . 3.126 2.836 2.487 3.082 . 0 0 "[ . 1]" 1
90 1 5 GLU HB2 2 3 ILE MG 3.030 . 3.891 1.978 1.880 2.127 . 0 0 "[ . 1]" 1
91 1 5 GLU HB3 2 3 ILE MG 3.030 . 3.891 3.277 3.162 3.405 . 0 0 "[ . 1]" 1
92 1 5 GLU QB 2 3 ILE MG 2.930 . 3.721 1.962 1.868 2.104 . 0 0 "[ . 1]" 1
93 1 5 GLU HG2 1 6 ALA H 3.080 . 3.976 3.783 3.274 3.991 0.015 4 0 "[ . 1]" 1
94 1 5 GLU HG3 1 6 ALA H 3.080 . 3.976 2.215 1.969 2.398 . 0 0 "[ . 1]" 1
95 1 5 GLU HG3 1 6 ALA MB 2.960 . 3.772 3.746 3.615 4.020 0.248 10 0 "[ . 1]" 1
96 1 5 GLU QG 1 6 ALA H 3.375 . 4.477 2.198 1.958 2.341 . 0 0 "[ . 1]" 1
97 1 5 GLU QG 1 7 PRO HA 3.655 . 4.953 4.513 4.351 4.658 . 0 0 "[ . 1]" 1
98 1 5 GLU QG 1 8 ARG QD 3.250 . 4.265 3.633 2.673 4.335 0.070 7 0 "[ . 1]" 1
99 1 6 ALA H 2 3 ILE MG 3.550 . 4.775 2.165 1.974 2.361 . 0 0 "[ . 1]" 1
100 1 6 ALA HA 1 7 PRO QG 3.120 . 4.044 3.895 3.771 3.983 . 0 0 "[ . 1]" 1
101 1 6 ALA HA 1 7 PRO HD2 2.715 . 3.355 2.976 2.783 3.381 0.026 8 0 "[ . 1]" 1
102 1 6 ALA HA 1 7 PRO HD3 2.715 . 3.355 2.075 2.016 2.156 . 0 0 "[ . 1]" 1
103 1 6 ALA HA 1 7 PRO QD 2.595 . 3.151 2.036 1.978 2.111 . 0 0 "[ . 1]" 1
104 1 6 ALA HA 1 20 TRP QB 3.550 . 4.775 3.180 2.992 3.323 . 0 0 "[ . 1]" 1
105 1 6 ALA HA 1 20 TRP HD1 2.870 . 3.619 2.050 1.961 2.130 . 0 0 "[ . 1]" 1
106 1 6 ALA HA 1 20 TRP HE1 2.960 . 3.772 3.343 2.962 3.708 . 0 0 "[ . 1]" 1
107 1 6 ALA MB 1 7 PRO HD2 2.700 . 3.330 2.180 2.074 2.360 . 0 0 "[ . 1]" 1
108 1 6 ALA MB 1 7 PRO HD3 2.700 . 3.330 2.667 2.032 2.972 . 0 0 "[ . 1]" 1
109 1 6 ALA MB 1 7 PRO QD 2.565 . 3.101 2.079 1.834 2.274 . 0 0 "[ . 1]" 1
110 1 6 ALA MB 1 13 TYR HB2 2.920 . 3.696 2.626 2.573 2.762 . 0 0 "[ . 1]" 1
111 1 6 ALA MB 1 13 TYR HB3 2.920 . 3.100 3.194 3.132 3.298 0.198 8 0 "[ . 1]" 1
112 1 6 ALA MB 1 13 TYR QB 2.760 . 3.432 2.511 2.460 2.629 . 0 0 "[ . 1]" 1
113 1 6 ALA MB 1 13 TYR HD2 3.015 . 3.865 2.377 2.234 2.735 . 0 0 "[ . 1]" 1
114 1 6 ALA MB 1 13 TYR HE2 3.160 . 4.112 3.662 3.389 4.121 0.009 8 0 "[ . 1]" 1
115 1 6 ALA MB 1 20 TRP HB2 3.110 . 4.027 2.705 2.436 2.882 . 0 0 "[ . 1]" 1
116 1 6 ALA MB 1 20 TRP HB3 3.110 . 4.027 2.273 2.100 2.424 . 0 0 "[ . 1]" 1
117 1 6 ALA MB 1 20 TRP QB 2.620 . 3.194 2.161 2.001 2.304 . 0 0 "[ . 1]" 1
118 1 6 ALA MB 1 20 TRP HD1 2.825 . 3.543 2.888 2.767 3.034 . 0 0 "[ . 1]" 1
119 1 6 ALA MB 1 20 TRP HE1 2.975 . 3.797 3.195 3.105 3.301 . 0 0 "[ . 1]" 1
120 1 6 ALA MB 2 15 ARG HB2 2.960 . 3.772 3.669 3.238 3.840 0.068 1 0 "[ . 1]" 1
121 1 6 ALA MB 2 15 ARG HB3 2.960 . 3.772 2.413 2.055 2.616 . 0 0 "[ . 1]" 1
122 1 6 ALA MB 2 15 ARG HG2 2.675 . 4.287 4.048 3.748 4.288 0.000 1 0 "[ . 1]" 1
123 1 6 ALA MB 2 15 ARG HG3 2.675 . 4.287 2.698 2.378 2.873 . 0 0 "[ . 1]" 1
124 1 6 ALA MB 2 15 ARG QG 2.580 . 3.126 2.660 2.353 2.825 . 0 0 "[ . 1]" 1
125 1 6 ALA MB 2 15 ARG QD 3.210 . 4.197 3.784 3.454 4.147 . 0 0 "[ . 1]" 1
126 1 7 PRO HB2 1 13 TYR HE2 3.120 . 4.044 2.248 2.058 2.464 . 0 0 "[ . 1]" 1
127 1 7 PRO HB3 1 13 TYR HE2 3.120 . 4.044 3.932 3.803 4.052 0.008 10 0 "[ . 1]" 1
128 1 7 PRO QB 1 13 TYR HE2 3.010 . 3.857 2.235 2.049 2.444 . 0 0 "[ . 1]" 1
129 1 7 PRO QG 1 13 TYR HE2 3.095 . 4.002 2.811 2.437 3.166 . 0 0 "[ . 1]" 1
130 1 7 PRO QG 1 13 TYR HE1 3.015 . 3.865 3.997 3.881 4.513 0.648 10 1 "[ . +]" 1
131 1 7 PRO QD 1 9 ASP QB 4.080 . 6.376 6.139 5.771 6.416 0.040 7 0 "[ . 1]" 1
132 1 7 PRO QD 1 20 TRP HD1 3.425 . 4.563 2.966 2.602 3.267 . 0 0 "[ . 1]" 1
133 1 8 ARG HA 1 8 ARG HG2 2.770 . 3.449 2.979 2.346 3.632 0.183 4 0 "[ . 1]" 1
134 1 8 ARG HA 1 8 ARG HG3 2.770 . 3.449 2.614 2.104 3.308 . 0 0 "[ . 1]" 1
135 1 8 ARG HA 1 8 ARG QG 2.645 . 3.237 2.245 2.085 2.358 . 0 0 "[ . 1]" 1
136 1 8 ARG HA 1 8 ARG QD 2.905 . 3.678 3.505 2.828 3.886 0.208 7 0 "[ . 1]" 1
137 1 8 ARG HA 1 9 ASP H 2.650 . 3.245 2.456 2.279 2.556 . 0 0 "[ . 1]" 1
138 1 8 ARG HA 1 10 GLY H 3.040 . 3.908 3.113 3.028 3.246 . 0 0 "[ . 1]" 1
139 1 8 ARG HA 2 17 ASP H 3.040 . 3.908 2.663 2.405 3.016 . 0 0 "[ . 1]" 1
140 1 8 ARG HA 2 17 ASP HA 2.570 . 3.109 1.965 1.605 2.220 0.195 10 0 "[ . 1]" 1
141 1 8 ARG HA 2 17 ASP QB 3.720 . 5.064 3.867 3.390 4.317 . 0 0 "[ . 1]" 1
142 1 8 ARG HA 2 18 GLY QA 3.630 . 5.611 4.864 4.604 5.116 . 0 0 "[ . 1]" 1
143 1 8 ARG HB2 1 9 ASP H 3.320 3.161 4.384 4.441 4.374 4.519 0.135 8 0 "[ . 1]" 1
144 1 8 ARG HB2 2 17 ASP HA 3.195 . 4.172 4.045 3.724 4.257 0.086 6 0 "[ . 1]" 1
145 1 8 ARG HB3 1 9 ASP H 3.320 3.015 4.230 4.233 4.072 4.330 0.100 2 0 "[ . 1]" 1
146 1 8 ARG HB3 2 17 ASP HA 3.195 . 4.172 3.009 2.423 3.549 . 0 0 "[ . 1]" 1
147 1 8 ARG QB 1 8 ARG QD 2.735 . 3.389 2.321 2.061 2.738 . 0 0 "[ . 1]" 1
148 1 8 ARG QB 1 9 ASP HA 3.650 . 4.945 4.275 4.178 4.345 . 0 0 "[ . 1]" 1
149 1 8 ARG QB 2 17 ASP HA 3.045 . 3.917 2.917 2.394 3.373 . 0 0 "[ . 1]" 1
150 1 8 ARG HG2 2 17 ASP HA 3.010 . 3.857 2.850 2.219 3.539 . 0 0 "[ . 1]" 1
151 1 8 ARG HG2 2 18 GLY H 3.275 . 4.307 3.358 2.003 4.302 . 0 0 "[ . 1]" 1
152 1 8 ARG HG3 2 17 ASP HA 3.010 . 3.857 2.730 1.788 3.917 0.060 10 0 "[ . 1]" 1
153 1 8 ARG HG3 2 18 GLY H 3.275 . 4.307 3.153 2.542 3.970 . 0 0 "[ . 1]" 1
154 1 8 ARG QG 2 17 ASP HA 2.860 . 3.602 2.092 1.780 2.430 0.020 1 0 "[ . 1]" 1
155 1 8 ARG QG 2 18 GLY H 3.530 . 4.741 2.511 1.990 2.877 . 0 0 "[ . 1]" 1
156 1 8 ARG QG 2 18 GLY QA 4.105 . 5.719 3.032 2.793 3.246 . 0 0 "[ . 1]" 1
157 1 8 ARG QD 2 17 ASP HA 2.850 . 3.585 3.542 3.230 4.198 0.613 5 1 "[ + 1]" 1
158 1 8 ARG QD 2 18 GLY HA3 3.055 . 3.934 2.828 1.941 3.638 . 0 0 "[ . 1]" 1
159 1 8 ARG QD 2 18 GLY HA2 3.055 . 3.934 3.373 2.585 3.995 0.062 7 0 "[ . 1]" 1
160 1 8 ARG QD 2 18 GLY QA 2.975 . 3.797 2.647 1.924 3.237 . 0 0 "[ . 1]" 1
161 1 9 ASP H 1 10 GLY H 2.535 . 3.049 2.335 2.044 2.456 . 0 0 "[ . 1]" 1
162 1 9 ASP H 2 17 ASP H 3.175 . 4.137 3.559 2.727 3.978 . 0 0 "[ . 1]" 1
163 1 9 ASP H 2 17 ASP HA 3.230 . 4.231 3.892 3.512 4.158 . 0 0 "[ . 1]" 1
164 1 9 ASP HA 1 10 GLY QA 3.705 . 5.038 4.121 4.091 4.169 . 0 0 "[ . 1]" 1
165 1 9 ASP HB2 1 10 GLY H 3.385 . 4.495 4.268 3.934 4.420 . 0 0 "[ . 1]" 1
166 1 9 ASP HB3 1 10 GLY H 3.385 . 4.495 4.469 4.117 4.553 0.059 1 0 "[ . 1]" 1
167 1 10 GLY H 1 11 GLN H 2.850 . 3.585 2.493 2.443 2.540 . 0 0 "[ . 1]" 1
168 1 10 GLY HA3 2 16 LYS QE 3.190 . 4.163 3.547 3.130 3.772 . 0 0 "[ . 1]" 1
169 1 10 GLY HA2 2 16 LYS QE 3.190 . 4.163 2.906 2.559 3.231 . 0 0 "[ . 1]" 1
170 1 10 GLY QA 2 16 LYS QG 3.530 . 4.741 2.568 2.084 2.830 . 0 0 "[ . 1]" 1
171 1 10 GLY QA 2 16 LYS QD 3.125 . 4.052 3.907 3.334 4.240 0.187 6 0 "[ . 1]" 1
172 1 10 GLY QA 2 16 LYS QE 2.920 . 3.704 2.776 2.495 3.054 . 0 0 "[ . 1]" 1
173 1 11 GLN H 1 11 GLN QG 3.820 . 5.234 3.381 2.587 4.088 . 0 0 "[ . 1]" 1
174 1 11 GLN H 1 12 ALA H 3.110 . 5.027 4.476 4.449 4.517 . 0 0 "[ . 1]" 1
175 1 11 GLN H 1 13 TYR HE2 3.230 . 4.231 4.197 3.989 4.522 0.291 9 0 "[ . 1]" 1
176 1 11 GLN HA 1 11 GLN HG2 2.865 . 3.611 2.804 2.401 3.505 . 0 0 "[ . 1]" 1
177 1 11 GLN HA 1 11 GLN HG3 2.865 . 3.611 3.063 2.180 3.738 0.128 7 0 "[ . 1]" 1
178 1 11 GLN HA 1 11 GLN QG 2.755 . 3.424 2.434 2.140 2.837 . 0 0 "[ . 1]" 1
179 1 11 GLN HA 1 12 ALA H 2.550 . 3.075 2.250 2.192 2.317 . 0 0 "[ . 1]" 1
180 1 11 GLN HA 1 22 LEU QD 3.825 . 5.242 3.388 3.086 3.687 . 0 0 "[ . 1]" 1
181 1 11 GLN HA 2 16 LYS QD 3.115 . 4.036 3.630 2.129 4.203 0.168 3 0 "[ . 1]" 1
182 1 11 GLN QB 1 12 ALA H 2.965 2.690 3.423 2.838 2.634 3.024 0.056 1 0 "[ . 1]" 1
183 1 11 GLN QB 1 13 TYR HE2 3.055 . 3.934 3.314 2.723 3.871 . 0 0 "[ . 1]" 1
184 1 11 GLN QB 1 22 LEU MD1 3.840 . 4.124 3.112 2.750 3.424 . 0 0 "[ . 1]" 1
185 1 11 GLN QB 1 22 LEU MD2 . . 2.755 1.762 1.716 1.823 0.084 6 0 "[ . 1]" 1
186 1 11 GLN QB 1 13 TYR HE1 3.465 . 4.630 4.609 4.246 4.731 0.101 9 0 "[ . 1]" 1
187 1 11 GLN QB 1 22 LEU QD 2.870 . 3.619 1.752 1.709 1.814 0.091 6 0 "[ . 1]" 1
188 1 11 GLN HG2 1 22 LEU MD1 3.885 . 5.345 3.405 1.914 4.734 . 0 0 "[ . 1]" 1
189 1 11 GLN HG2 1 22 LEU MD2 3.885 . 5.345 3.015 1.563 4.093 0.237 3 0 "[ . 1]" 1
190 1 11 GLN HG3 1 22 LEU MD1 3.885 . 5.345 3.504 1.967 4.616 . 0 0 "[ . 1]" 1
191 1 11 GLN HG3 1 22 LEU MD2 3.885 . 5.345 3.091 1.851 3.987 . 0 0 "[ . 1]" 1
192 1 11 GLN QG 1 22 LEU QD 3.010 . 3.857 2.327 1.453 3.379 0.347 3 0 "[ . 1]" 1
193 1 11 GLN HE21 1 22 LEU MD1 3.755 3.033 4.266 4.003 3.104 4.329 0.063 6 0 "[ . 1]" 1
194 1 11 GLN HE21 1 22 LEU MD2 3.755 2.945 4.090 4.000 2.997 4.884 0.794 2 1 "[ + . 1]" 1
195 1 11 GLN HE22 1 22 LEU MD1 3.755 3.056 4.311 3.669 3.060 4.291 . 0 0 "[ . 1]" 1
196 1 11 GLN HE22 1 22 LEU MD2 3.755 3.018 4.236 4.029 2.994 4.704 0.468 3 0 "[ . 1]" 1
197 1 11 GLN QE 1 22 LEU QD 4.530 . 6.441 3.003 2.581 3.326 . 0 0 "[ . 1]" 1
198 1 12 ALA H 1 13 TYR H 3.315 . 4.376 4.465 4.451 4.487 0.111 8 0 "[ . 1]" 1
199 1 12 ALA H 1 22 LEU QD 5.000 . 7.240 2.778 2.452 3.120 . 0 0 "[ . 1]" 1
200 1 12 ALA HA 1 13 TYR H 2.600 . 3.160 2.077 2.048 2.106 . 0 0 "[ . 1]" 1
201 1 12 ALA HA 1 13 TYR QB 3.095 . 4.002 4.128 4.063 4.239 0.238 6 0 "[ . 1]" 1
202 1 12 ALA HA 1 13 TYR HD2 3.195 . 4.172 3.999 3.834 4.122 . 0 0 "[ . 1]" 1
203 1 12 ALA HA 1 22 LEU QD 4.010 . 5.557 4.113 3.819 4.377 . 0 0 "[ . 1]" 1
204 1 12 ALA HA 2 14 VAL QG 3.760 . 5.132 2.860 2.139 3.463 . 0 0 "[ . 1]" 1
205 1 12 ALA HA 2 16 LYS QB 2.615 . 3.185 1.701 1.498 1.899 0.302 5 0 "[ . 1]" 1
206 1 12 ALA HA 2 16 LYS QD 2.870 . 3.619 3.326 2.927 3.661 0.042 7 0 "[ . 1]" 1
207 1 12 ALA MB 1 23 LEU H 3.825 . 5.242 3.188 3.049 3.445 . 0 0 "[ . 1]" 1
208 1 12 ALA MB 1 23 LEU HB2 2.805 . 3.509 2.395 2.168 2.686 . 0 0 "[ . 1]" 1
209 1 12 ALA MB 1 23 LEU HB3 2.805 . 3.274 2.209 2.010 2.439 . 0 0 "[ . 1]" 1
210 1 12 ALA MB 1 23 LEU QB 2.590 . 3.143 2.031 1.918 2.264 . 0 0 "[ . 1]" 1
211 1 12 ALA MB 2 14 VAL HB 2.760 . 3.432 2.744 1.715 3.605 0.173 1 0 "[ . 1]" 1
212 1 12 ALA MB 2 14 VAL QG 2.605 . 3.168 1.662 1.553 1.800 0.247 2 0 "[ . 1]" 1
213 1 12 ALA MB 2 16 LYS QD 2.750 . 4.115 2.549 1.894 2.897 . 0 0 "[ . 1]" 1
214 1 12 ALA MB 2 16 LYS QE 4.160 . 5.812 3.945 3.369 4.654 . 0 0 "[ . 1]" 1
215 1 12 ALA MB 2 26 PHE QB 3.530 . 4.741 4.281 3.931 4.502 . 0 0 "[ . 1]" 1
216 1 12 ALA MB 2 26 PHE QD 2.915 . 3.695 3.427 3.272 3.592 . 0 0 "[ . 1]" 1
217 1 12 ALA MB 2 26 PHE QE 2.730 . 3.381 2.317 1.869 2.468 . 0 0 "[ . 1]" 1
218 1 12 ALA MB 2 26 PHE HZ 2.760 . 3.432 2.235 2.002 2.587 . 0 0 "[ . 1]" 1
219 1 13 TYR H 1 13 TYR HD2 3.005 . 3.849 3.287 3.160 3.400 . 0 0 "[ . 1]" 1
220 1 13 TYR H 1 14 VAL QG 5.075 . 7.367 4.425 4.246 4.866 . 0 0 "[ . 1]" 1
221 1 13 TYR H 2 15 ARG H 3.025 . 3.882 2.648 2.397 2.786 . 0 0 "[ . 1]" 1
222 1 13 TYR HA 1 13 TYR HD2 3.075 . 3.967 4.112 4.072 4.183 0.215 9 0 "[ . 1]" 1
223 1 13 TYR HA 1 13 TYR HE1 3.240 . 4.248 4.446 4.345 4.672 0.424 5 0 "[ . 1]" 1
224 1 13 TYR HA 1 13 TYR HD1 2.935 . 3.730 2.491 2.340 2.660 . 0 0 "[ . 1]" 1
225 1 13 TYR HA 1 14 VAL H 2.595 . 3.151 2.144 2.060 2.232 . 0 0 "[ . 1]" 1
226 1 13 TYR HA 1 14 VAL HB 3.220 . 4.640 4.900 4.697 5.383 0.743 8 2 "[ . -+ 1]" 1
227 1 13 TYR HA 1 14 VAL QG 3.595 . 4.852 2.713 2.522 3.004 . 0 0 "[ . 1]" 1
228 1 13 TYR HA 1 20 TRP HA 3.250 . 5.265 4.846 4.773 4.947 . 0 0 "[ . 1]" 1
229 1 13 TYR HA 1 22 LEU HA 2.675 . 3.287 2.613 2.545 2.737 . 0 0 "[ . 1]" 1
230 1 13 TYR HA 1 22 LEU QB 3.010 . 4.557 4.686 4.621 4.805 0.248 1 0 "[ . 1]" 1
231 1 13 TYR HA 1 22 LEU QD 3.765 . 5.141 3.373 3.230 3.509 . 0 0 "[ . 1]" 1
232 1 13 TYR HA 1 23 LEU H 2.785 . 3.474 2.774 2.482 2.916 . 0 0 "[ . 1]" 1
233 1 13 TYR HA 2 14 VAL QG 3.705 . 5.038 3.525 3.325 3.794 . 0 0 "[ . 1]" 1
234 1 13 TYR HB2 1 14 VAL H 3.150 2.931 4.061 3.806 3.780 3.868 . 0 0 "[ . 1]" 1
235 1 13 TYR HB2 1 20 TRP HA 3.185 . 4.155 4.272 4.217 4.386 0.231 4 0 "[ . 1]" 1
236 1 13 TYR HB2 1 20 TRP HB2 4.040 . 4.836 4.321 4.252 4.395 . 0 0 "[ . 1]" 1
237 1 13 TYR HB2 1 20 TRP HB3 4.040 . 4.885 2.676 2.610 2.765 . 0 0 "[ . 1]" 1
238 1 13 TYR HB2 1 20 TRP QB 2.950 . 3.755 2.652 2.588 2.738 . 0 0 "[ . 1]" 1
239 1 13 TYR HB2 1 20 TRP HE3 3.240 . 4.248 2.821 2.729 2.954 . 0 0 "[ . 1]" 1
240 1 13 TYR HB2 1 20 TRP HZ3 3.190 . 4.163 4.275 4.127 4.448 0.285 5 0 "[ . 1]" 1
241 1 13 TYR HB2 1 21 VAL H 3.390 3.188 4.503 4.711 4.615 4.802 0.299 5 0 "[ . 1]" 1
242 1 13 TYR HB2 2 15 ARG HB2 3.110 . 3.841 3.677 3.570 3.899 0.058 2 0 "[ . 1]" 1
243 1 13 TYR HB2 2 15 ARG HB3 3.110 . 4.072 2.628 2.450 2.947 . 0 0 "[ . 1]" 1
244 1 13 TYR HB3 1 14 VAL H 3.150 2.617 3.434 2.600 2.574 2.659 0.043 5 0 "[ . 1]" 1
245 1 13 TYR HB3 1 20 TRP HA 3.185 . 4.155 2.797 2.735 2.896 . 0 0 "[ . 1]" 1
246 1 13 TYR HB3 1 20 TRP HB2 4.040 . 4.885 3.567 3.478 3.630 . 0 0 "[ . 1]" 1
247 1 13 TYR HB3 1 20 TRP HB3 4.040 . 4.836 1.849 1.774 1.902 0.026 8 0 "[ . 1]" 1
248 1 13 TYR HB3 1 20 TRP QB 2.950 . 3.638 1.843 1.769 1.896 0.031 8 0 "[ . 1]" 1
249 1 13 TYR HB3 1 20 TRP HE3 . . 3.178 1.929 1.796 2.007 0.004 6 0 "[ . 1]" 1
250 1 13 TYR HB3 1 20 TRP HZ3 3.190 . 4.163 4.093 3.953 4.188 0.025 8 0 "[ . 1]" 1
251 1 13 TYR HB3 1 21 VAL H 3.390 3.251 4.503 3.005 2.888 3.088 0.363 6 0 "[ . 1]" 1
252 1 13 TYR HB3 2 15 ARG HB2 3.110 . 4.439 4.631 4.507 4.881 0.442 2 0 "[ . 1]" 1
253 1 13 TYR HB3 2 15 ARG HB3 3.110 . 4.420 3.942 3.788 4.260 . 0 0 "[ . 1]" 1
254 1 13 TYR QB 1 14 VAL HA 3.740 . 5.098 4.125 3.979 4.227 . 0 0 "[ . 1]" 1
255 1 13 TYR QB 1 14 VAL HB 3.595 . 4.852 5.103 4.959 5.633 0.781 8 1 "[ . + 1]" 1
256 1 13 TYR QB 1 20 TRP HA 3.095 . 4.002 2.762 2.704 2.858 . 0 0 "[ . 1]" 1
257 1 13 TYR QB 1 20 TRP QB 2.845 . 3.576 1.811 1.741 1.859 0.059 8 0 "[ . 1]" 1
258 1 13 TYR QB 1 20 TRP HE3 3.150 . 4.095 1.897 1.773 1.976 0.027 6 0 "[ . 1]" 1
259 1 13 TYR QB 1 21 VAL HA 3.640 . 4.928 4.547 4.479 4.633 . 0 0 "[ . 1]" 1
260 1 13 TYR QB 1 22 LEU QD 4.385 . 6.194 4.346 4.248 4.511 . 0 0 "[ . 1]" 1
261 1 13 TYR QB 2 15 ARG QB 2.935 . 3.730 2.528 2.376 2.805 . 0 0 "[ . 1]" 1
262 1 13 TYR HD2 1 22 LEU QD 5.310 . 7.767 4.312 4.135 4.506 . 0 0 "[ . 1]" 1
263 1 13 TYR HE1 1 20 TRP QB 3.650 . 4.945 3.968 3.837 4.245 . 0 0 "[ . 1]" 1
264 1 13 TYR HE1 1 21 VAL HA 3.460 . 4.622 3.345 3.057 3.718 . 0 0 "[ . 1]" 1
265 1 13 TYR HE1 1 22 LEU H 3.195 . 4.172 2.933 2.635 3.320 . 0 0 "[ . 1]" 1
266 1 13 TYR HE1 1 22 LEU HG 2.955 . 3.763 3.177 2.607 4.020 0.256 8 0 "[ . 1]" 1
267 1 13 TYR HE1 1 22 LEU MD1 3.960 . 5.472 4.409 4.174 4.711 . 0 0 "[ . 1]" 1
268 1 13 TYR HE1 1 22 LEU MD2 3.960 . 5.472 3.097 2.121 3.926 . 0 0 "[ . 1]" 1
269 1 13 TYR HE1 1 22 LEU QD 3.560 . 4.792 2.994 2.118 3.667 . 0 0 "[ . 1]" 1
270 1 13 TYR HD1 1 20 TRP HA 3.130 . 4.061 3.805 3.641 4.065 0.004 9 0 "[ . 1]" 1
271 1 13 TYR HD1 1 20 TRP HB2 2.955 . 3.763 3.859 3.778 4.007 0.244 4 0 "[ . 1]" 1
272 1 13 TYR HD1 1 20 TRP HB3 2.955 . 3.763 2.850 2.718 3.062 . 0 0 "[ . 1]" 1
273 1 13 TYR HD1 1 20 TRP QB 3.990 . 5.523 2.779 2.662 2.964 . 0 0 "[ . 1]" 1
274 1 13 TYR HD1 1 21 VAL H 3.170 . 4.129 3.001 2.807 3.279 . 0 0 "[ . 1]" 1
275 1 13 TYR HD1 1 21 VAL HA 3.285 . 4.325 2.720 2.578 2.867 . 0 0 "[ . 1]" 1
276 1 13 TYR HD1 1 22 LEU QB 3.835 . 5.260 4.197 3.841 4.416 . 0 0 "[ . 1]" 1
277 1 13 TYR HD1 1 22 LEU QD 3.885 . 5.345 3.511 2.982 4.009 . 0 0 "[ . 1]" 1
278 1 14 VAL H 1 20 TRP HA 3.240 . 4.248 3.758 3.695 3.900 . 0 0 "[ . 1]" 1
279 1 14 VAL H 1 20 TRP HE3 3.110 . 4.027 3.144 2.996 3.312 . 0 0 "[ . 1]" 1
280 1 14 VAL H 1 21 VAL H 2.940 . 3.738 2.434 2.351 2.544 . 0 0 "[ . 1]" 1
281 1 14 VAL H 1 21 VAL QG 4.720 . 6.764 3.455 2.337 3.918 . 0 0 "[ . 1]" 1
282 1 14 VAL H 1 22 LEU HA 3.295 . 4.341 4.056 3.990 4.154 . 0 0 "[ . 1]" 1
283 1 14 VAL H 1 23 LEU H 3.125 . 4.052 4.074 3.973 4.147 0.094 2 0 "[ . 1]" 1
284 1 14 VAL HA 1 14 VAL MG1 2.745 . 3.407 2.379 2.116 3.112 . 0 0 "[ . 1]" 1
285 1 14 VAL HA 1 14 VAL MG2 2.745 . 3.407 2.814 2.651 3.085 . 0 0 "[ . 1]" 1
286 1 14 VAL HA 1 14 VAL QG 2.420 . 2.854 2.234 2.062 2.601 . 0 0 "[ . 1]" 1
287 1 14 VAL HA 1 15 ARG H 2.715 . 3.355 2.376 2.290 2.459 . 0 0 "[ . 1]" 1
288 1 14 VAL HA 1 15 ARG HB2 3.270 . 4.299 4.045 3.923 4.233 . 0 0 "[ . 1]" 1
289 1 14 VAL HA 1 15 ARG QB 3.200 . 4.180 3.913 3.805 4.060 . 0 0 "[ . 1]" 1
290 1 14 VAL HA 1 20 TRP HZ3 3.230 . 4.231 3.237 3.029 3.725 . 0 0 "[ . 1]" 1
291 1 14 VAL HB 1 15 ARG H 2.615 . 3.430 3.375 2.948 3.569 0.139 3 0 "[ . 1]" 1
292 1 14 VAL HB 1 23 LEU QD 3.915 . 5.396 4.475 3.556 4.822 . 0 0 "[ . 1]" 1
293 1 14 VAL HB 3 12 ALA MB 2.760 . 3.432 2.194 1.790 3.558 0.126 9 0 "[ . 1]" 1
294 1 14 VAL MG1 1 15 ARG H 3.450 . 4.605 2.919 2.235 4.334 . 0 0 "[ . 1]" 1
295 1 14 VAL MG1 3 23 LEU MD1 4.090 . 5.693 2.616 1.958 3.819 . 0 0 "[ . 1]" 1
296 1 14 VAL MG1 3 23 LEU MD2 4.090 . 5.693 2.132 1.697 4.261 0.103 5 0 "[ . 1]" 1
297 1 14 VAL MG2 1 15 ARG H 3.450 . 4.605 3.908 2.088 4.323 . 0 0 "[ . 1]" 1
298 1 14 VAL MG2 1 26 PHE QD 2.950 . 3.755 2.840 2.272 3.901 0.146 9 0 "[ . 1]" 1
299 1 14 VAL MG2 1 26 PHE QE 3.010 . 3.857 2.625 1.902 3.630 . 0 0 "[ . 1]" 1
300 1 14 VAL MG2 3 23 LEU MD1 4.090 . 5.693 3.501 2.971 3.763 . 0 0 "[ . 1]" 1
301 1 14 VAL MG2 3 23 LEU MD2 4.090 . 5.693 2.663 1.991 5.529 . 0 0 "[ . 1]" 1
302 1 14 VAL QG 1 15 ARG H 3.765 . 5.141 2.549 2.082 2.850 . 0 0 "[ . 1]" 1
303 1 14 VAL QG 1 16 LYS QB 3.970 . 5.489 3.490 1.920 3.874 . 0 0 "[ . 1]" 1
304 1 14 VAL QG 1 16 LYS QE 5.270 . 7.699 5.357 4.542 5.652 . 0 0 "[ . 1]" 1
305 1 14 VAL QG 1 20 TRP HA 4.025 . 5.582 4.564 3.602 4.868 . 0 0 "[ . 1]" 1
306 1 14 VAL QG 1 21 VAL H 4.960 . 7.172 3.240 2.211 3.654 . 0 0 "[ . 1]" 1
307 1 14 VAL QG 1 21 VAL HB 3.565 . 4.800 2.904 1.778 4.323 0.022 8 0 "[ . 1]" 1
308 1 14 VAL QG 1 23 LEU H 4.815 . 6.925 3.013 2.855 3.367 . 0 0 "[ . 1]" 1
309 1 14 VAL QG 1 23 LEU QD 4.135 . 5.769 2.444 2.182 3.003 . 0 0 "[ . 1]" 1
310 1 14 VAL QG 1 26 PHE HZ 3.760 . 5.132 3.544 2.394 4.205 . 0 0 "[ . 1]" 1
311 1 14 VAL QG 2 23 LEU QD 4.005 . 5.549 3.487 3.131 4.431 . 0 0 "[ . 1]" 1
312 1 14 VAL QG 3 12 ALA HA 3.760 . 5.132 3.134 2.342 3.475 . 0 0 "[ . 1]" 1
313 1 14 VAL QG 3 12 ALA MB 2.605 . 3.168 1.775 1.587 1.846 0.213 9 0 "[ . 1]" 1
314 1 14 VAL QG 3 13 TYR HA 3.705 . 5.038 3.789 3.397 4.987 . 0 0 "[ . 1]" 1
315 1 14 VAL QG 3 23 LEU HA 3.440 . 4.588 4.023 3.588 5.522 0.934 8 1 "[ . + 1]" 1
316 1 14 VAL QG 3 23 LEU QD 3.205 . 4.188 1.743 1.615 1.944 0.185 10 0 "[ . 1]" 1
317 1 15 ARG H 3 13 TYR H 3.025 . 3.882 2.580 2.390 3.004 . 0 0 "[ . 1]" 1
318 1 15 ARG HA 1 15 ARG HG2 3.000 . 3.840 3.064 2.903 3.214 . 0 0 "[ . 1]" 1
319 1 15 ARG HA 1 15 ARG HG3 3.000 . 3.840 3.588 3.534 3.646 . 0 0 "[ . 1]" 1
320 1 15 ARG HA 1 15 ARG QG 2.885 . 3.645 2.898 2.795 3.000 . 0 0 "[ . 1]" 1
321 1 15 ARG HA 1 15 ARG HD2 2.650 . 3.245 1.760 1.681 1.792 0.119 8 0 "[ . 1]" 1
322 1 15 ARG HA 1 15 ARG HD3 2.650 . 3.245 2.885 2.451 3.317 0.072 4 0 "[ . 1]" 1
323 1 15 ARG HA 1 15 ARG QD 2.550 . 3.075 1.741 1.675 1.782 0.125 8 0 "[ . 1]" 1
324 1 15 ARG HA 1 16 LYS H 2.590 . 3.143 2.036 1.999 2.072 . 0 0 "[ . 1]" 1
325 1 15 ARG HA 1 19 GLU H 3.225 . 4.222 4.368 4.262 4.658 0.435 6 0 "[ . 1]" 1
326 1 15 ARG HA 1 20 TRP HA 2.740 . 3.398 3.123 3.009 3.208 . 0 0 "[ . 1]" 1
327 1 15 ARG HA 1 20 TRP HE3 3.470 . 4.639 3.236 3.131 3.342 . 0 0 "[ . 1]" 1
328 1 15 ARG HB2 1 20 TRP HZ3 3.495 . 3.688 2.371 2.280 2.452 . 0 0 "[ . 1]" 1
329 1 15 ARG HB2 3 6 ALA MB 2.960 . 3.772 3.746 3.472 3.903 0.131 7 0 "[ . 1]" 1
330 1 15 ARG HB2 3 13 TYR HB2 3.110 . 3.841 3.647 3.503 3.914 0.074 9 0 "[ . 1]" 1
331 1 15 ARG HB2 3 13 TYR HB3 3.110 . 4.439 4.643 4.489 5.022 0.583 9 1 "[ . +1]" 1
332 1 15 ARG HB2 3 20 TRP HZ3 2.905 . 3.678 2.905 2.735 3.133 . 0 0 "[ . 1]" 1
333 1 15 ARG HB2 3 20 TRP HZ2 3.435 . 4.580 4.498 4.357 4.618 0.039 8 0 "[ . 1]" 1
334 1 15 ARG HB3 1 20 TRP HZ3 3.495 . 3.905 4.035 3.982 4.098 0.193 2 0 "[ . 1]" 1
335 1 15 ARG HB3 3 6 ALA MB 2.960 . 3.772 2.475 2.250 2.613 . 0 0 "[ . 1]" 1
336 1 15 ARG HB3 3 13 TYR HB2 3.110 . 4.027 2.568 2.389 2.740 . 0 0 "[ . 1]" 1
337 1 15 ARG HB3 3 13 TYR HB3 3.110 . 4.027 3.920 3.650 4.111 0.084 9 0 "[ . 1]" 1
338 1 15 ARG HB3 3 20 TRP HZ3 2.905 . 3.678 3.811 3.728 3.936 0.257 3 0 "[ . 1]" 1
339 1 15 ARG HB3 3 20 TRP HZ2 3.435 . 4.580 4.688 4.630 4.900 0.321 1 0 "[ . 1]" 1
340 1 15 ARG QB 1 20 TRP HE3 3.715 . 5.056 3.981 3.877 4.045 . 0 0 "[ . 1]" 1
341 1 15 ARG QB 1 20 TRP HZ3 2.830 . 3.551 2.355 2.267 2.433 . 0 0 "[ . 1]" 1
342 1 15 ARG QB 1 20 TRP HZ2 3.700 . 5.030 4.640 4.377 4.970 . 0 0 "[ . 1]" 1
343 1 15 ARG QB 1 20 TRP HH2 4.040 . 5.608 2.929 2.733 3.197 . 0 0 "[ . 1]" 1
344 1 15 ARG QB 3 13 TYR QB 2.935 . 3.730 2.480 2.325 2.646 . 0 0 "[ . 1]" 1
345 1 15 ARG QB 3 20 TRP HZ3 2.830 . 3.551 2.817 2.670 3.017 . 0 0 "[ . 1]" 1
346 1 15 ARG QB 3 20 TRP HZ2 3.730 . 5.081 4.085 3.998 4.225 . 0 0 "[ . 1]" 1
347 1 15 ARG HG2 3 6 ALA MB 2.675 . 4.287 4.070 3.725 4.408 0.121 7 0 "[ . 1]" 1
348 1 15 ARG HG2 3 20 TRP HH2 3.185 . 4.155 3.450 3.244 3.728 . 0 0 "[ . 1]" 1
349 1 15 ARG HG3 3 6 ALA MB 2.675 . 4.287 2.709 2.375 3.037 . 0 0 "[ . 1]" 1
350 1 15 ARG HG3 3 20 TRP HH2 3.185 . 4.155 3.963 3.556 4.249 0.095 9 0 "[ . 1]" 1
351 1 15 ARG QG 1 20 TRP HA 3.365 . 4.460 4.606 4.523 4.721 0.260 10 0 "[ . 1]" 1
352 1 15 ARG QG 1 20 TRP HH2 4.280 . 6.016 2.196 2.069 2.311 . 0 0 "[ . 1]" 1
353 1 15 ARG QG 3 6 ALA MB 2.580 . 3.126 2.671 2.353 2.986 . 0 0 "[ . 1]" 1
354 1 15 ARG QG 3 20 TRP HZ2 4.335 . 6.109 3.323 3.134 3.616 . 0 0 "[ . 1]" 1
355 1 15 ARG QG 3 20 TRP HH2 3.080 . 3.976 3.238 3.098 3.438 . 0 0 "[ . 1]" 1
356 1 15 ARG HD2 1 16 LYS H 3.130 . 4.061 2.455 2.271 2.934 . 0 0 "[ . 1]" 1
357 1 15 ARG HD2 1 20 TRP HA 3.035 . 3.899 3.649 3.031 3.923 0.023 5 0 "[ . 1]" 1
358 1 15 ARG HD2 1 20 TRP HZ2 3.175 . 5.137 5.118 4.519 5.479 0.341 1 0 "[ . 1]" 1
359 1 15 ARG HD2 1 20 TRP HH2 3.055 . 4.933 4.805 4.197 5.039 0.106 9 0 "[ . 1]" 1
360 1 15 ARG HD3 1 16 LYS H 3.130 . 4.061 3.975 3.640 4.206 0.145 4 0 "[ . 1]" 1
361 1 15 ARG HD3 1 20 TRP HA 3.035 . 4.600 3.858 3.212 4.534 . 0 0 "[ . 1]" 1
362 1 15 ARG HD3 1 20 TRP HZ2 3.175 . 4.137 3.753 3.627 3.965 . 0 0 "[ . 1]" 1
363 1 15 ARG HD3 1 20 TRP HH2 3.055 . 3.934 4.061 3.994 4.150 0.217 4 0 "[ . 1]" 1
364 1 15 ARG QD 1 16 LYS H 3.435 . 4.580 2.431 2.250 2.881 . 0 0 "[ . 1]" 1
365 1 15 ARG QD 1 20 TRP HA 2.930 . 3.721 3.252 2.988 3.620 . 0 0 "[ . 1]" 1
366 1 15 ARG QD 1 20 TRP HH2 2.965 . 3.780 3.845 3.718 3.899 0.119 5 0 "[ . 1]" 1
367 1 15 ARG QD 3 6 ALA MB 3.210 . 4.197 3.844 3.516 4.228 0.031 4 0 "[ . 1]" 1
368 1 15 ARG HE 3 5 GLU QG 4.565 . 4.896 3.954 3.389 5.802 0.906 4 1 "[ +. 1]" 1
369 1 16 LYS H 1 16 LYS QG 3.365 . 4.460 3.490 2.922 3.753 . 0 0 "[ . 1]" 1
370 1 16 LYS H 1 19 GLU H 2.830 . 3.551 3.131 2.894 3.345 . 0 0 "[ . 1]" 1
371 1 16 LYS H 1 20 TRP HA 3.220 . 4.214 3.761 3.585 3.923 . 0 0 "[ . 1]" 1
372 1 16 LYS HA 1 16 LYS QG 2.680 . 3.296 3.043 2.953 3.296 . 0 0 "[ . 1]" 1
373 1 16 LYS HA 1 17 ASP H 2.635 . 3.220 2.185 2.135 2.235 . 0 0 "[ . 1]" 1
374 1 16 LYS QB 1 17 ASP H 3.670 . 4.979 3.569 3.295 3.708 . 0 0 "[ . 1]" 1
375 1 16 LYS QB 3 12 ALA HA 2.615 . 3.185 1.760 1.657 1.907 0.143 4 0 "[ . 1]" 1
376 1 16 LYS QG 1 17 ASP H 3.340 . 4.418 3.198 2.868 3.585 . 0 0 "[ . 1]" 1
377 1 16 LYS QG 1 17 ASP HA 3.220 . 4.214 4.206 4.018 4.494 0.280 7 0 "[ . 1]" 1
378 1 16 LYS QG 1 17 ASP HB2 2.750 . 3.415 2.475 1.966 3.730 0.315 1 0 "[ . 1]" 1
379 1 16 LYS QG 1 17 ASP HB3 2.750 . 3.323 3.439 3.333 3.786 0.462 5 0 "[ . 1]" 1
380 1 16 LYS QG 1 19 GLU H 3.650 . 4.945 4.106 3.700 4.267 . 0 0 "[ . 1]" 1
381 1 16 LYS QG 3 10 GLY QA 3.530 . 4.741 2.744 2.372 3.861 . 0 0 "[ . 1]" 1
382 1 16 LYS QD 1 21 VAL MG2 2.690 . 3.313 2.174 1.893 2.939 . 0 0 "[ . 1]" 1
383 1 16 LYS QD 1 26 PHE QE 2.880 . 3.636 3.377 2.934 3.598 . 0 0 "[ . 1]" 1
384 1 16 LYS QD 1 26 PHE HZ 2.655 . 3.253 2.196 1.968 2.422 . 0 0 "[ . 1]" 1
385 1 16 LYS QD 3 10 GLY QA 3.125 . 4.052 4.064 3.223 4.221 0.168 3 0 "[ . 1]" 1
386 1 16 LYS QD 3 11 GLN HA 3.115 . 4.036 4.065 2.740 4.839 0.804 1 1 "[+ . 1]" 1
387 1 16 LYS QD 3 12 ALA HA 2.870 . 3.619 3.542 3.408 3.729 0.110 4 0 "[ . 1]" 1
388 1 16 LYS QD 3 12 ALA MB 2.750 . 4.115 2.700 2.546 2.878 . 0 0 "[ . 1]" 1
389 1 16 LYS QE 1 26 PHE HZ 3.125 . 4.052 3.506 2.840 3.970 . 0 0 "[ . 1]" 1
390 1 16 LYS QE 3 10 GLY HA3 3.190 . 4.163 3.634 3.371 3.744 . 0 0 "[ . 1]" 1
391 1 16 LYS QE 3 10 GLY HA2 3.190 . 4.163 2.930 2.473 3.179 . 0 0 "[ . 1]" 1
392 1 16 LYS QE 3 10 GLY QA 2.920 . 3.704 2.809 2.414 3.015 . 0 0 "[ . 1]" 1
393 1 16 LYS QE 3 12 ALA MB 4.160 . 5.812 3.802 3.303 4.422 . 0 0 "[ . 1]" 1
394 1 17 ASP H 1 18 GLY H 3.010 . 3.857 2.920 2.852 3.032 . 0 0 "[ . 1]" 1
395 1 17 ASP H 3 8 ARG HA 3.040 . 3.908 2.623 1.851 2.821 . 0 0 "[ . 1]" 1
396 1 17 ASP H 3 9 ASP H 3.175 . 4.137 3.643 3.322 3.916 . 0 0 "[ . 1]" 1
397 1 17 ASP HA 3 8 ARG HA 2.570 . 3.109 1.994 1.771 2.164 0.029 10 0 "[ . 1]" 1
398 1 17 ASP HA 3 8 ARG HB2 3.195 . 4.172 3.891 2.154 4.195 0.024 6 0 "[ . 1]" 1
399 1 17 ASP HA 3 8 ARG HB3 3.195 . 4.172 2.910 1.778 3.360 0.022 10 0 "[ . 1]" 1
400 1 17 ASP HA 3 8 ARG QB 3.045 . 3.917 2.827 1.698 3.230 0.102 10 0 "[ . 1]" 1
401 1 17 ASP HA 3 8 ARG HG2 3.010 . 3.857 2.982 2.188 4.066 0.209 10 0 "[ . 1]" 1
402 1 17 ASP HA 3 8 ARG HG3 3.010 . 3.857 2.757 1.795 4.309 0.452 5 0 "[ . 1]" 1
403 1 17 ASP HA 3 8 ARG QG 2.860 . 3.602 2.206 1.780 3.632 0.030 10 0 "[ . 1]" 1
404 1 17 ASP HA 3 8 ARG QD 2.850 . 3.585 3.499 3.012 3.694 0.109 7 0 "[ . 1]" 1
405 1 17 ASP HA 3 9 ASP H 3.230 . 4.231 3.983 3.598 4.264 0.033 7 0 "[ . 1]" 1
406 1 17 ASP QB 3 8 ARG HA 3.720 . 5.064 3.938 3.552 4.250 . 0 0 "[ . 1]" 1
407 1 18 GLY H 1 19 GLU H 2.810 . 3.517 2.867 2.835 2.906 . 0 0 "[ . 1]" 1
408 1 18 GLY H 3 8 ARG HG2 3.275 . 4.307 3.547 2.381 4.405 0.097 10 0 "[ . 1]" 1
409 1 18 GLY H 3 8 ARG HG3 3.275 . 4.307 3.212 2.329 4.977 0.670 10 1 "[ . +]" 1
410 1 18 GLY H 3 8 ARG QG 3.530 . 4.741 2.649 2.311 4.126 . 0 0 "[ . 1]" 1
411 1 18 GLY HA3 1 19 GLU HA 3.165 . 5.121 4.519 4.500 4.533 . 0 0 "[ . 1]" 1
412 1 18 GLY HA3 1 19 GLU HG2 4.060 . 5.642 4.343 3.781 5.088 . 0 0 "[ . 1]" 1
413 1 18 GLY HA3 1 19 GLU HG3 4.060 . 5.642 4.243 3.629 4.800 . 0 0 "[ . 1]" 1
414 1 18 GLY HA3 3 8 ARG QD 3.055 . 3.934 3.029 2.253 3.957 0.023 4 0 "[ . 1]" 1
415 1 18 GLY HA2 1 19 GLU HA 3.165 . 5.121 4.413 4.399 4.440 . 0 0 "[ . 1]" 1
416 1 18 GLY HA2 1 19 GLU HG2 4.060 . 5.642 5.169 4.644 5.769 0.127 1 0 "[ . 1]" 1
417 1 18 GLY HA2 1 19 GLU HG3 4.060 . 5.642 5.036 4.284 5.828 0.186 6 0 "[ . 1]" 1
418 1 18 GLY HA2 3 8 ARG QD 3.055 . 3.934 3.414 2.651 3.967 0.034 8 0 "[ . 1]" 1
419 1 18 GLY QA 1 19 GLU QG 3.355 . 4.444 3.564 3.344 3.791 . 0 0 "[ . 1]" 1
420 1 18 GLY QA 3 8 ARG HA 3.630 . 5.611 4.888 4.526 5.351 . 0 0 "[ . 1]" 1
421 1 18 GLY QA 3 8 ARG QG 4.105 . 5.719 3.166 2.644 4.327 . 0 0 "[ . 1]" 1
422 1 18 GLY QA 3 8 ARG QD 2.975 . 3.797 2.777 2.219 3.460 . 0 0 "[ . 1]" 1
423 1 19 GLU H 1 19 GLU HB2 2.955 2.479 3.157 2.903 2.544 3.509 0.351 8 0 "[ . 1]" 1
424 1 19 GLU H 1 19 GLU HB3 2.955 2.674 3.548 3.709 3.662 3.836 0.288 9 0 "[ . 1]" 1
425 1 19 GLU H 1 19 GLU HG2 3.265 . 4.291 3.579 2.736 4.264 . 0 0 "[ . 1]" 1
426 1 19 GLU H 1 19 GLU HG3 3.265 . 4.291 2.919 1.958 3.810 . 0 0 "[ . 1]" 1
427 1 19 GLU H 1 19 GLU QG 3.605 . 4.869 2.738 1.942 3.441 . 0 0 "[ . 1]" 1
428 1 19 GLU HA 1 19 GLU HG2 2.935 . 3.730 2.801 2.160 3.586 . 0 0 "[ . 1]" 1
429 1 19 GLU HA 1 19 GLU HG3 2.935 . 3.730 3.397 2.937 3.740 0.011 4 0 "[ . 1]" 1
430 1 19 GLU HA 1 19 GLU QG 2.775 . 3.457 2.615 2.136 3.177 . 0 0 "[ . 1]" 1
431 1 19 GLU HA 1 20 TRP H 2.630 . 3.211 2.337 2.308 2.384 . 0 0 "[ . 1]" 1
432 1 19 GLU HA 1 20 TRP HA 3.190 . 4.163 4.310 4.300 4.324 0.161 7 0 "[ . 1]" 1
433 1 19 GLU HA 1 20 TRP QB 3.610 . 4.877 4.448 4.412 4.511 . 0 0 "[ . 1]" 1
434 1 19 GLU HA 1 20 TRP HD1 3.470 . 4.639 4.409 4.175 4.583 . 0 0 "[ . 1]" 1
435 1 19 GLU HB2 1 20 TRP H 2.995 2.726 3.652 3.338 2.658 3.763 0.111 10 0 "[ . 1]" 1
436 1 19 GLU HB3 1 20 TRP H 2.995 2.456 3.112 2.679 2.404 3.154 0.052 10 0 "[ . 1]" 1
437 1 19 GLU QG 1 20 TRP H 3.665 . 4.970 4.003 3.562 4.383 . 0 0 "[ . 1]" 1
438 1 20 TRP H 1 20 TRP HD1 3.230 . 4.231 3.391 3.153 3.528 . 0 0 "[ . 1]" 1
439 1 20 TRP H 1 21 VAL H 3.240 . 4.248 4.314 4.271 4.356 0.108 4 0 "[ . 1]" 1
440 1 20 TRP HA 1 20 TRP HE3 2.635 . 3.220 2.267 2.142 2.393 . 0 0 "[ . 1]" 1
441 1 20 TRP HA 1 21 VAL H 2.605 . 3.168 2.104 2.042 2.134 . 0 0 "[ . 1]" 1
442 1 20 TRP HA 1 21 VAL HA 3.080 . 4.976 4.371 4.329 4.399 . 0 0 "[ . 1]" 1
443 1 20 TRP HA 1 21 VAL QG 3.965 . 5.481 3.485 3.026 3.709 . 0 0 "[ . 1]" 1
444 1 20 TRP QB 1 21 VAL H 3.665 . 4.970 3.382 3.273 3.480 . 0 0 "[ . 1]" 1
445 1 20 TRP HE3 1 21 VAL H 3.080 . 3.976 3.170 2.967 3.381 . 0 0 "[ . 1]" 1
446 1 20 TRP HE3 1 21 VAL QG 3.895 . 5.361 4.696 3.862 5.118 . 0 0 "[ . 1]" 1
447 1 20 TRP HZ3 2 15 ARG HB2 2.905 . 3.678 2.849 2.651 2.967 . 0 0 "[ . 1]" 1
448 1 20 TRP HZ3 2 15 ARG HB3 2.905 . 3.678 3.794 3.724 3.890 0.211 6 0 "[ . 1]" 1
449 1 20 TRP HZ3 2 15 ARG QB 2.830 . 3.551 2.770 2.602 2.879 . 0 0 "[ . 1]" 1
450 1 20 TRP HZ2 2 3 ILE HB 3.365 . 5.460 5.122 4.961 5.323 . 0 0 "[ . 1]" 1
451 1 20 TRP HZ2 2 3 ILE QG 3.550 . 4.775 2.967 2.813 3.118 . 0 0 "[ . 1]" 1
452 1 20 TRP HZ2 2 3 ILE MD 2.435 . 2.879 1.769 1.707 1.795 0.093 6 0 "[ . 1]" 1
453 1 20 TRP HZ2 2 15 ARG HB2 3.435 . 4.580 4.524 4.381 4.634 0.055 7 0 "[ . 1]" 1
454 1 20 TRP HZ2 2 15 ARG HB3 3.435 . 4.580 4.692 4.623 4.815 0.235 7 0 "[ . 1]" 1
455 1 20 TRP HZ2 2 15 ARG QB 3.730 . 5.081 4.099 4.025 4.204 . 0 0 "[ . 1]" 1
456 1 20 TRP HZ2 2 15 ARG QG 4.335 . 6.109 3.319 3.134 3.570 . 0 0 "[ . 1]" 1
457 1 20 TRP HH2 2 3 ILE QG 3.830 . 5.251 4.438 4.288 4.543 . 0 0 "[ . 1]" 1
458 1 20 TRP HH2 2 3 ILE MD 2.575 . 3.118 2.542 2.376 2.655 . 0 0 "[ . 1]" 1
459 1 20 TRP HH2 2 15 ARG HG2 3.185 . 4.155 3.461 3.347 3.620 . 0 0 "[ . 1]" 1
460 1 20 TRP HH2 2 15 ARG HG3 3.185 . 4.155 3.888 3.408 4.308 0.154 9 0 "[ . 1]" 1
461 1 20 TRP HH2 2 15 ARG QG 3.080 . 3.976 3.208 3.068 3.331 . 0 0 "[ . 1]" 1
462 1 21 VAL H 1 21 VAL HB 2.905 . 3.678 3.066 2.740 3.790 0.111 4 0 "[ . 1]" 1
463 1 21 VAL HA 1 21 VAL MG1 2.640 . 3.228 2.331 2.174 2.612 . 0 0 "[ . 1]" 1
464 1 21 VAL HA 1 21 VAL MG2 2.640 . 3.228 2.754 2.493 3.187 . 0 0 "[ . 1]" 1
465 1 21 VAL HA 1 22 LEU H 2.560 . 3.092 2.086 2.049 2.151 . 0 0 "[ . 1]" 1
466 1 21 VAL HA 1 22 LEU HA 3.175 . 4.137 4.226 4.197 4.259 0.121 10 0 "[ . 1]" 1
467 1 21 VAL HA 1 22 LEU QB 2.960 . 3.772 3.910 3.804 4.086 0.314 5 0 "[ . 1]" 1
468 1 21 VAL HB 1 22 LEU H 2.890 . 3.653 3.581 3.141 3.798 0.145 7 0 "[ . 1]" 1
469 1 21 VAL HB 1 22 LEU HA 3.210 . 5.197 5.126 5.043 5.309 0.112 10 0 "[ . 1]" 1
470 1 21 VAL HB 1 26 PHE QE 2.900 . 3.670 2.220 1.945 2.696 . 0 0 "[ . 1]" 1
471 1 21 VAL HB 1 26 PHE HZ 3.065 . 3.951 3.523 2.900 4.014 0.063 4 0 "[ . 1]" 1
472 1 21 VAL MG1 1 26 PHE QE 2.735 . 3.389 2.595 1.990 3.560 0.171 10 0 "[ . 1]" 1
473 1 21 VAL MG1 1 26 PHE HZ 2.820 . 3.534 3.300 2.580 3.572 0.038 10 0 "[ . 1]" 1
474 1 21 VAL MG2 1 26 PHE QE 2.735 . 3.389 2.878 1.729 3.372 0.071 10 0 "[ . 1]" 1
475 1 21 VAL MG2 1 26 PHE HZ 2.820 . 3.534 2.961 2.067 3.455 . 0 0 "[ . 1]" 1
476 1 21 VAL QG 1 22 LEU H 3.940 . 5.438 2.517 1.877 3.394 . 0 0 "[ . 1]" 1
477 1 21 VAL QG 1 26 PHE QD 3.825 . 5.242 3.391 2.893 3.709 . 0 0 "[ . 1]" 1
478 1 21 VAL QG 1 26 PHE QE 5.140 . 7.478 2.039 1.726 2.440 0.074 10 0 "[ . 1]" 1
479 1 21 VAL QG 1 26 PHE HZ 4.140 . 5.778 2.687 2.049 3.114 . 0 0 "[ . 1]" 1
480 1 22 LEU H 1 22 LEU MD1 3.560 . 4.792 4.144 3.982 4.381 . 0 0 "[ . 1]" 1
481 1 22 LEU H 1 22 LEU MD2 3.560 . 4.792 3.613 3.099 3.926 . 0 0 "[ . 1]" 1
482 1 22 LEU H 1 22 LEU QD 3.895 . 5.361 3.376 3.038 3.562 . 0 0 "[ . 1]" 1
483 1 22 LEU HA 1 22 LEU HG 2.870 . 3.619 3.042 2.669 3.622 0.003 8 0 "[ . 1]" 1
484 1 22 LEU HA 1 22 LEU MD1 2.705 . 3.339 3.394 2.707 3.708 0.370 1 0 "[ . 1]" 1
485 1 22 LEU HA 1 22 LEU MD2 2.705 . 3.339 1.840 1.791 1.945 0.009 8 0 "[ . 1]" 1
486 1 22 LEU HA 1 22 LEU QD 2.415 . 2.845 1.830 1.767 1.938 0.033 8 0 "[ . 1]" 1
487 1 22 LEU HA 1 23 LEU H 2.575 . 3.118 2.094 2.050 2.122 . 0 0 "[ . 1]" 1
488 1 22 LEU HA 1 23 LEU QB 3.470 . 4.639 3.958 3.907 4.009 . 0 0 "[ . 1]" 1
489 1 22 LEU QB 1 22 LEU MD1 2.595 . 3.151 2.102 2.020 2.235 . 0 0 "[ . 1]" 1
490 1 22 LEU QB 1 22 LEU MD2 2.595 . 3.151 2.434 2.376 2.528 . 0 0 "[ . 1]" 1
491 1 22 LEU QB 1 22 LEU QD 2.320 . 2.684 1.983 1.915 2.094 . 0 0 "[ . 1]" 1
492 1 22 LEU QB 1 24 SER H 3.050 . 3.925 3.249 2.950 3.600 . 0 0 "[ . 1]" 1
493 1 22 LEU QB 1 24 SER QB 3.520 . 4.724 3.662 3.136 4.341 . 0 0 "[ . 1]" 1
494 1 22 LEU MD1 1 24 SER H 3.590 . 4.843 3.337 1.784 4.225 0.016 8 0 "[ . 1]" 1
495 1 22 LEU MD1 1 24 SER HB2 4.080 . 5.676 3.295 1.831 4.766 . 0 0 "[ . 1]" 1
496 1 22 LEU MD1 1 24 SER HB3 4.080 . 5.676 3.943 3.236 4.715 . 0 0 "[ . 1]" 1
497 1 22 LEU MD2 1 24 SER H 3.590 . 4.843 3.156 2.445 3.982 . 0 0 "[ . 1]" 1
498 1 22 LEU MD2 1 24 SER HB2 4.080 . 5.676 4.348 3.184 5.180 . 0 0 "[ . 1]" 1
499 1 22 LEU MD2 1 24 SER HB3 4.080 . 5.676 4.851 3.988 5.812 0.136 10 0 "[ . 1]" 1
500 1 22 LEU QD 1 23 LEU H 4.805 . 6.909 2.429 2.103 2.686 . 0 0 "[ . 1]" 1
501 1 22 LEU QD 1 24 SER H 3.945 . 5.446 2.519 1.781 2.974 0.019 8 0 "[ . 1]" 1
502 1 22 LEU QD 1 24 SER QB 3.220 . 4.214 2.791 1.820 3.564 . 0 0 "[ . 1]" 1
503 1 23 LEU H 1 23 LEU HB2 2.745 2.396 2.991 2.496 2.413 2.613 . 0 0 "[ . 1]" 1
504 1 23 LEU H 1 23 LEU HB3 2.745 2.309 2.818 2.378 2.267 2.481 0.042 9 0 "[ . 1]" 1
505 1 23 LEU H 1 24 SER H 2.755 . 3.424 2.699 2.647 2.751 . 0 0 "[ . 1]" 1
506 1 23 LEU HA 1 23 LEU HG 2.860 . 3.602 3.451 2.934 3.538 . 0 0 "[ . 1]" 1
507 1 23 LEU HA 1 26 PHE H 3.260 . 4.282 3.551 3.436 3.655 . 0 0 "[ . 1]" 1
508 1 23 LEU HA 1 26 PHE HB2 3.165 . 4.593 3.199 2.965 3.365 . 0 0 "[ . 1]" 1
509 1 23 LEU HA 1 26 PHE QB 3.080 . 3.976 3.156 2.932 3.315 . 0 0 "[ . 1]" 1
510 1 23 LEU HA 1 26 PHE QD 2.635 . 3.220 2.523 2.311 3.194 . 0 0 "[ . 1]" 1
511 1 23 LEU HA 1 26 PHE QE 3.040 . 3.908 4.107 3.972 4.860 0.952 4 1 "[ +. 1]" 1
512 1 23 LEU HA 2 14 VAL QG 3.440 . 4.588 3.919 3.717 4.166 . 0 0 "[ . 1]" 1
513 1 23 LEU HA 3 23 LEU QD 3.650 . 4.945 2.873 2.559 3.305 . 0 0 "[ . 1]" 1
514 1 23 LEU QB 1 24 SER H 3.870 . 5.319 2.489 2.360 2.757 . 0 0 "[ . 1]" 1
515 1 23 LEU QB 1 26 PHE H 3.985 . 5.515 4.855 4.727 4.962 . 0 0 "[ . 1]" 1
516 1 23 LEU QB 2 26 PHE QD 5.440 . 7.988 3.539 2.734 4.161 . 0 0 "[ . 1]" 1
517 1 23 LEU HG 1 24 SER HA 3.000 . 3.840 3.627 3.393 3.845 0.005 6 0 "[ . 1]" 1
518 1 23 LEU HG 2 26 PHE QB 3.155 . 4.103 2.449 1.962 3.496 . 0 0 "[ . 1]" 1
519 1 23 LEU MD1 1 26 PHE HB2 4.305 . 6.058 2.322 2.113 2.856 . 0 0 "[ . 1]" 1
520 1 23 LEU MD1 1 26 PHE HB3 4.305 . 6.058 3.517 3.371 3.805 . 0 0 "[ . 1]" 1
521 1 23 LEU MD1 2 14 VAL MG1 4.090 . 5.693 3.468 1.997 5.175 . 0 0 "[ . 1]" 1
522 1 23 LEU MD1 2 14 VAL MG2 4.090 . 5.693 3.613 3.094 3.882 . 0 0 "[ . 1]" 1
523 1 23 LEU MD1 2 26 PHE QD 4.705 . 6.739 4.070 3.915 4.163 . 0 0 "[ . 1]" 1
524 1 23 LEU MD1 3 26 PHE HB2 4.530 . 6.441 4.971 4.750 5.223 . 0 0 "[ . 1]" 1
525 1 23 LEU MD1 3 26 PHE HB3 4.530 . 6.441 5.313 5.064 5.613 . 0 0 "[ . 1]" 1
526 1 23 LEU MD2 1 26 PHE HB2 4.305 . 6.058 5.013 4.749 5.227 . 0 0 "[ . 1]" 1
527 1 23 LEU MD2 1 26 PHE HB3 4.305 . 6.058 6.058 5.796 6.424 0.366 6 0 "[ . 1]" 1
528 1 23 LEU MD2 2 14 VAL MG1 4.090 . 5.693 1.993 1.633 3.405 0.167 4 0 "[ . 1]" 1
529 1 23 LEU MD2 2 14 VAL MG2 4.090 . 5.693 2.165 1.700 2.918 0.100 2 0 "[ . 1]" 1
530 1 23 LEU MD2 2 26 PHE QD 4.705 . 6.739 2.361 2.140 2.566 . 0 0 "[ . 1]" 1
531 1 23 LEU MD2 3 26 PHE HB2 4.530 . 6.441 6.097 5.708 6.531 0.090 8 0 "[ . 1]" 1
532 1 23 LEU MD2 3 26 PHE HB3 4.530 . 6.441 6.067 5.703 6.487 0.046 8 0 "[ . 1]" 1
533 1 23 LEU QD 1 26 PHE H 5.160 . 7.512 3.510 3.283 4.187 . 0 0 "[ . 1]" 1
534 1 23 LEU QD 1 26 PHE QB 3.465 . 4.630 2.284 2.090 2.748 . 0 0 "[ . 1]" 1
535 1 23 LEU QD 1 27 LEU QB 3.970 . 5.489 4.096 3.277 4.495 . 0 0 "[ . 1]" 1
536 1 23 LEU QD 2 14 VAL QG 3.205 . 4.188 1.697 1.573 1.849 0.227 4 0 "[ . 1]" 1
537 1 23 LEU QD 2 23 LEU HA 3.650 . 4.945 2.690 2.454 3.235 . 0 0 "[ . 1]" 1
538 1 23 LEU QD 2 26 PHE H 4.840 . 6.968 3.675 3.522 3.941 . 0 0 "[ . 1]" 1
539 1 23 LEU QD 2 26 PHE HA 3.900 . 5.370 3.975 3.636 4.133 . 0 0 "[ . 1]" 1
540 1 23 LEU QD 2 26 PHE QB 3.905 . 5.378 1.774 1.682 1.842 0.118 8 0 "[ . 1]" 1
541 1 23 LEU QD 2 26 PHE QD 3.550 . 4.775 2.345 2.132 2.534 . 0 0 "[ . 1]" 1
542 1 23 LEU QD 3 14 VAL QG 4.005 . 5.549 3.401 3.036 3.953 . 0 0 "[ . 1]" 1
543 1 23 LEU QD 3 26 PHE QB 3.605 . 4.869 4.333 4.170 4.567 . 0 0 "[ . 1]" 1
544 1 24 SER H 1 25 THR H 2.860 . 3.602 2.721 2.665 2.868 . 0 0 "[ . 1]" 1
545 1 24 SER HA 1 27 LEU H 3.005 . 3.849 2.996 2.860 3.169 . 0 0 "[ . 1]" 1
546 1 24 SER HA 1 27 LEU QD 3.450 . 4.605 2.752 2.265 3.195 . 0 0 "[ . 1]" 1
547 1 25 THR H 1 25 THR HB 2.755 . 3.424 2.364 2.281 2.459 . 0 0 "[ . 1]" 1
548 1 25 THR H 1 25 THR MG 3.285 . 4.325 3.739 3.701 3.769 . 0 0 "[ . 1]" 1
549 1 25 THR H 1 26 PHE H 2.750 . 3.415 2.407 2.333 2.495 . 0 0 "[ . 1]" 1
550 1 25 THR HA 1 25 THR MG 2.515 . 3.016 2.544 2.508 2.690 . 0 0 "[ . 1]" 1
551 1 25 THR HB 1 26 PHE H 3.030 . 3.891 3.143 3.001 3.216 . 0 0 "[ . 1]" 1
552 1 25 THR HB 1 26 PHE QD 2.910 . 3.687 2.933 2.314 3.148 . 0 0 "[ . 1]" 1
553 1 25 THR HB 1 26 PHE QE 2.915 . 3.695 3.401 2.937 3.650 . 0 0 "[ . 1]" 1
554 1 25 THR MG 1 26 PHE QD 3.040 . 3.908 3.656 3.320 3.810 . 0 0 "[ . 1]" 1
555 1 25 THR MG 1 26 PHE QE 2.970 . 3.789 3.562 3.164 3.801 0.012 7 0 "[ . 1]" 1
556 1 25 THR MG 1 26 PHE HZ 3.015 . 4.565 4.413 4.163 4.569 0.003 7 0 "[ . 1]" 1
557 1 26 PHE H 1 26 PHE HB2 2.960 2.393 2.987 2.376 2.284 2.502 0.109 7 0 "[ . 1]" 1
558 1 26 PHE H 1 26 PHE HB3 2.960 2.680 3.560 3.603 3.561 3.658 0.098 1 0 "[ . 1]" 1
559 1 26 PHE H 1 27 LEU H 2.690 . 3.313 2.331 2.231 2.372 . 0 0 "[ . 1]" 1
560 1 26 PHE H 3 23 LEU QD 4.840 . 6.968 3.785 3.553 3.980 . 0 0 "[ . 1]" 1
561 1 26 PHE HA 1 26 PHE QD 2.605 . 3.168 2.985 2.854 3.171 0.002 1 0 "[ . 1]" 1
562 1 26 PHE HA 3 23 LEU QD 3.900 . 5.370 3.900 3.668 4.168 . 0 0 "[ . 1]" 1
563 1 26 PHE HA 3 27 LEU MD1 2.925 . 4.713 3.846 3.009 4.872 0.160 10 0 "[ . 1]" 1
564 1 26 PHE HA 3 27 LEU MD2 2.925 . 4.713 4.136 3.015 4.938 0.226 9 0 "[ . 1]" 1
565 1 26 PHE HB2 1 27 LEU H 3.280 3.104 4.316 3.524 3.259 3.662 . 0 0 "[ . 1]" 1
566 1 26 PHE HB2 2 23 LEU MD1 4.530 . 6.441 4.951 4.609 5.614 . 0 0 "[ . 1]" 1
567 1 26 PHE HB2 2 23 LEU MD2 4.530 . 6.441 6.077 4.894 6.558 0.117 10 0 "[ . 1]" 1
568 1 26 PHE HB2 2 27 LEU MD1 4.455 . 6.813 6.300 4.921 7.009 0.195 4 0 "[ . 1]" 1
569 1 26 PHE HB2 2 27 LEU MD2 4.455 . 6.813 5.593 4.865 7.076 0.262 1 0 "[ . 1]" 1
570 1 26 PHE HB2 3 27 LEU MD1 3.555 . 3.574 3.339 2.879 4.088 0.514 10 1 "[ . +]" 1
571 1 26 PHE HB2 3 27 LEU MD2 3.555 . 4.784 3.438 2.930 3.719 . 0 0 "[ . 1]" 1
572 1 26 PHE HB3 1 27 LEU H 3.280 3.076 4.316 4.202 3.970 4.324 0.008 1 0 "[ . 1]" 1
573 1 26 PHE HB3 2 23 LEU MD1 4.530 . 6.441 5.299 4.977 5.782 . 0 0 "[ . 1]" 1
574 1 26 PHE HB3 2 23 LEU MD2 4.530 . 6.441 6.110 5.290 6.786 0.345 6 0 "[ . 1]" 1
575 1 26 PHE HB3 2 27 LEU MD1 4.455 . 6.313 6.117 4.893 6.580 0.266 4 0 "[ . 1]" 1
576 1 26 PHE HB3 2 27 LEU MD2 4.455 . 6.313 5.535 4.731 7.033 0.720 6 2 "[- .+ 1]" 1
577 1 26 PHE HB3 3 27 LEU MD1 3.555 . 3.993 2.441 1.715 3.469 0.085 8 0 "[ . 1]" 1
578 1 26 PHE HB3 3 27 LEU MD2 . . 3.050 2.662 1.799 3.107 0.057 7 0 "[ . 1]" 1
579 1 26 PHE QB 2 23 LEU QD 3.605 . 4.869 4.292 4.040 4.592 . 0 0 "[ . 1]" 1
580 1 26 PHE QB 3 12 ALA MB 3.530 . 4.741 4.299 4.020 4.574 . 0 0 "[ . 1]" 1
581 1 26 PHE QB 3 23 LEU HG 3.155 . 4.103 2.956 2.153 4.219 0.116 8 0 "[ . 1]" 1
582 1 26 PHE QB 3 23 LEU QD 3.905 . 5.378 1.788 1.696 2.051 0.104 10 0 "[ . 1]" 1
583 1 26 PHE QB 3 27 LEU HG 3.645 . 4.937 4.118 2.794 4.961 0.025 10 0 "[ . 1]" 1
584 1 26 PHE QB 3 27 LEU QD 2.825 . 3.543 1.879 1.692 2.250 0.108 8 0 "[ . 1]" 1
585 1 26 PHE QD 3 12 ALA MB 2.915 . 3.695 3.459 3.096 3.591 . 0 0 "[ . 1]" 1
586 1 26 PHE QD 3 23 LEU QB 5.440 . 7.988 3.646 2.820 4.234 . 0 0 "[ . 1]" 1
587 1 26 PHE QD 3 23 LEU MD1 4.705 . 6.739 3.914 2.576 4.236 . 0 0 "[ . 1]" 1
588 1 26 PHE QD 3 23 LEU MD2 4.705 . 6.739 2.516 2.114 4.063 . 0 0 "[ . 1]" 1
589 1 26 PHE QD 3 23 LEU QD 5.020 . 7.274 2.351 2.106 2.623 . 0 0 "[ . 1]" 1
590 1 26 PHE QE 3 12 ALA MB 2.730 . 3.381 2.390 2.062 2.671 . 0 0 "[ . 1]" 1
591 1 26 PHE HZ 3 12 ALA MB 2.760 . 3.432 2.312 1.969 2.896 . 0 0 "[ . 1]" 1
592 1 27 LEU H 3 27 LEU QD 4.075 . 5.668 3.868 3.346 4.088 . 0 0 "[ . 1]" 1
593 1 27 LEU HA 1 27 LEU HG 2.860 . 3.602 3.252 2.662 3.676 0.074 3 0 "[ . 1]" 1
594 1 27 LEU HA 3 27 LEU MD1 2.940 . 3.738 3.233 2.041 3.783 0.045 3 0 "[ . 1]" 1
595 1 27 LEU HA 3 27 LEU MD2 2.940 . 3.738 3.294 2.828 3.789 0.051 9 0 "[ . 1]" 1
596 1 27 LEU HA 3 27 LEU QD 2.530 . 3.041 2.829 2.033 3.105 0.064 5 0 "[ . 1]" 1
597 1 27 LEU HG 2 26 PHE QB 3.645 . 4.937 3.864 3.106 4.757 . 0 0 "[ . 1]" 1
598 1 27 LEU MD1 2 26 PHE HA 2.925 . 4.713 3.606 2.848 5.070 0.357 4 0 "[ . 1]" 1
599 1 27 LEU MD1 2 26 PHE HB2 3.555 . 3.574 3.218 2.763 3.776 0.202 1 0 "[ . 1]" 1
600 1 27 LEU MD1 2 26 PHE HB3 3.555 . 3.993 2.284 1.750 3.389 0.050 5 0 "[ . 1]" 1
601 1 27 LEU MD1 2 27 LEU HA 2.940 . 3.738 3.090 2.243 3.442 . 0 0 "[ . 1]" 1
602 1 27 LEU MD1 3 26 PHE HB2 4.455 . 6.813 6.385 5.251 6.938 0.125 10 0 "[ . 1]" 1
603 1 27 LEU MD1 3 26 PHE HB3 4.455 . 6.313 6.107 5.084 6.691 0.377 8 0 "[ . 1]" 1
604 1 27 LEU MD2 2 26 PHE HA 2.925 . 4.713 4.241 2.840 4.934 0.222 3 0 "[ . 1]" 1
605 1 27 LEU MD2 2 26 PHE HB2 3.555 . 4.784 3.396 2.689 3.793 . 0 0 "[ . 1]" 1
606 1 27 LEU MD2 2 26 PHE HB3 . . 3.050 2.732 1.782 3.132 0.082 5 0 "[ . 1]" 1
607 1 27 LEU MD2 2 27 LEU HA 2.940 . 3.738 3.353 2.916 3.810 0.072 10 0 "[ . 1]" 1
608 1 27 LEU MD2 3 26 PHE HB2 4.455 . 6.813 5.786 4.573 7.129 0.315 2 0 "[ . 1]" 1
609 1 27 LEU MD2 3 26 PHE HB3 4.455 . 6.313 5.672 4.543 6.557 0.244 1 0 "[ . 1]" 1
610 1 27 LEU QD 2 26 PHE QB 2.825 . 3.543 1.828 1.725 2.291 0.075 5 0 "[ . 1]" 1
611 1 27 LEU QD 2 27 LEU H 4.075 . 5.668 3.734 3.533 4.001 . 0 0 "[ . 1]" 1
612 1 27 LEU QD 2 27 LEU HA 2.530 . 3.041 2.761 2.225 3.094 0.053 8 0 "[ . 1]" 1
613 2 1 GLY QA 2 2 TYR HA 3.070 . 3.959 3.985 3.953 4.012 0.053 7 0 "[ . 1]" 1
614 2 1 GLY QA 2 2 TYR QD 3.580 . 4.826 3.162 2.825 3.515 . 0 0 "[ . 1]" 1
615 2 2 TYR HA 2 3 ILE H 2.660 . 3.262 2.219 2.175 2.300 . 0 0 "[ . 1]" 1
616 2 2 TYR HA 2 3 ILE HG12 3.125 . 4.052 3.756 3.679 3.883 . 0 0 "[ . 1]" 1
617 2 2 TYR HA 2 3 ILE HG13 3.125 . 5.052 4.997 4.851 5.136 0.084 1 0 "[ . 1]" 1
618 2 2 TYR HA 2 3 ILE QG 3.050 . 3.925 3.653 3.585 3.762 . 0 0 "[ . 1]" 1
619 2 2 TYR HB2 3 2 TYR QE 3.015 . 3.865 2.145 1.852 2.369 . 0 0 "[ . 1]" 1
620 2 2 TYR HB3 3 2 TYR QE 3.015 . 3.865 2.257 1.856 3.061 . 0 0 "[ . 1]" 1
621 2 2 TYR QB 2 3 ILE HA 3.005 . 4.848 4.421 4.361 4.492 . 0 0 "[ . 1]" 1
622 2 2 TYR QB 3 2 TYR QE 2.945 . 3.747 1.894 1.791 2.134 0.009 8 0 "[ . 1]" 1
623 2 3 ILE H 2 3 ILE HB 2.895 . 3.661 3.641 3.630 3.662 . 6 0 "[ . 1]" 1
624 2 3 ILE H 2 3 ILE HG12 2.780 . 3.466 1.834 1.755 1.918 0.045 8 0 "[ . 1]" 1
625 2 3 ILE H 2 3 ILE HG13 2.780 . 3.466 2.849 2.711 3.012 . 0 0 "[ . 1]" 1
626 2 3 ILE H 3 2 TYR HD2 3.165 . 4.121 4.160 4.030 4.407 0.286 2 0 "[ . 1]" 1
627 2 3 ILE HA 2 3 ILE MG 2.535 . 3.049 2.247 2.192 2.316 . 0 0 "[ . 1]" 1
628 2 3 ILE HA 2 3 ILE HG12 2.955 . 3.763 3.622 3.541 3.694 . 0 0 "[ . 1]" 1
629 2 3 ILE HA 2 3 ILE HG13 2.955 . 3.763 3.768 3.716 3.836 0.073 8 0 "[ . 1]" 1
630 2 3 ILE HA 2 4 PRO QG 3.480 . 4.656 3.913 3.864 3.954 . 0 0 "[ . 1]" 1
631 2 3 ILE HA 2 4 PRO HD2 2.515 . 3.016 2.867 2.648 2.955 . 0 0 "[ . 1]" 1
632 2 3 ILE HA 2 4 PRO HD3 2.515 . 3.016 1.996 1.944 2.049 . 0 0 "[ . 1]" 1
633 2 3 ILE HA 2 4 PRO QD 2.420 . 2.854 1.959 1.916 1.995 . 0 0 "[ . 1]" 1
634 2 3 ILE HB 2 3 ILE MD 2.530 . 3.041 2.424 2.319 2.536 . 0 0 "[ . 1]" 1
635 2 3 ILE HB 2 4 PRO HA 3.200 . 4.180 4.419 4.303 4.605 0.425 6 0 "[ . 1]" 1
636 2 3 ILE HB 2 4 PRO HD2 2.810 . 3.517 2.019 1.946 2.109 . 0 0 "[ . 1]" 1
637 2 3 ILE HB 2 4 PRO HD3 2.810 . 3.517 2.964 2.847 3.149 . 0 0 "[ . 1]" 1
638 2 3 ILE HB 2 4 PRO QD 2.695 . 3.322 1.987 1.919 2.071 . 0 0 "[ . 1]" 1
639 2 3 ILE HB 2 20 TRP HZ2 3.055 . 3.934 3.417 3.114 3.790 . 0 0 "[ . 1]" 1
640 2 3 ILE HG12 2 3 ILE MG 2.585 . 3.135 2.496 2.391 2.618 . 0 0 "[ . 1]" 1
641 2 3 ILE HG13 2 3 ILE MG 2.585 . 3.135 3.155 3.143 3.170 0.036 10 0 "[ . 1]" 1
642 2 3 ILE QG 2 3 ILE MG 2.495 . 2.981 2.405 2.322 2.495 . 0 0 "[ . 1]" 1
643 2 3 ILE MG 2 4 PRO HD2 2.815 . 3.526 2.837 2.570 3.211 . 0 0 "[ . 1]" 1
644 2 3 ILE MG 2 4 PRO HD3 2.815 . 3.526 3.128 2.855 3.448 . 0 0 "[ . 1]" 1
645 2 3 ILE MG 2 4 PRO QD 2.705 . 3.339 2.633 2.393 2.953 . 0 0 "[ . 1]" 1
646 2 3 ILE MG 2 15 ARG HD3 2.675 . 4.287 3.302 2.686 4.253 . 0 0 "[ . 1]" 1
647 2 3 ILE MD 2 3 ILE MG 2.500 . 2.990 1.826 1.731 1.960 0.069 1 0 "[ . 1]" 1
648 2 3 ILE HG12 2 4 PRO HD2 3.275 . 5.307 4.929 4.852 5.031 . 0 0 "[ . 1]" 1
649 2 3 ILE HG12 2 4 PRO HD3 3.275 . 5.307 5.228 5.117 5.326 0.018 10 0 "[ . 1]" 1
650 1 20 TRP HZ2 2 3 ILE HG12 3.040 . 3.908 3.091 2.918 3.271 . 0 0 "[ . 1]" 1
651 2 3 ILE HG13 2 4 PRO HD2 3.275 . 5.307 4.171 4.013 4.298 . 0 0 "[ . 1]" 1
652 2 3 ILE HG13 2 4 PRO HD3 3.275 . 5.307 4.843 4.767 4.953 . 0 0 "[ . 1]" 1
653 2 3 ILE HG13 2 20 TRP HE1 3.330 . 4.401 4.635 4.530 5.293 0.892 10 1 "[ . +]" 1
654 1 20 TRP HZ2 2 3 ILE HG13 3.040 . 3.908 3.831 3.614 3.963 0.055 1 0 "[ . 1]" 1
655 2 3 ILE QG 2 4 PRO QD 3.145 . 4.087 3.705 3.613 3.771 . 0 0 "[ . 1]" 1
656 2 3 ILE QG 2 20 TRP HE1 3.680 . 4.996 4.500 4.414 5.101 0.105 10 0 "[ . 1]" 1
657 2 3 ILE QG 2 20 TRP HZ2 2.920 . 3.704 3.029 2.793 3.480 . 0 0 "[ . 1]" 1
658 2 3 ILE MD 2 20 TRP HE1 3.305 . 4.359 3.908 3.613 4.196 . 0 0 "[ . 1]" 1
659 2 3 ILE MD 2 20 TRP HZ2 3.170 . 4.129 2.000 1.685 2.337 0.115 9 0 "[ . 1]" 1
660 2 4 PRO HA 2 5 GLU H 2.645 . 3.237 2.214 2.179 2.263 . 0 0 "[ . 1]" 1
661 2 4 PRO HA 3 2 TYR HB2 3.145 . 4.087 4.106 4.044 4.141 0.054 9 0 "[ . 1]" 1
662 2 4 PRO HA 3 2 TYR HB3 3.145 . 4.087 3.555 3.338 3.842 . 0 0 "[ . 1]" 1
663 2 4 PRO HA 3 2 TYR QB 3.065 . 3.951 3.348 3.189 3.539 . 0 0 "[ . 1]" 1
664 2 4 PRO HA 3 2 TYR QD 2.700 . 3.330 2.342 1.976 2.999 . 0 0 "[ . 1]" 1
665 2 4 PRO HA 3 2 TYR QE 3.170 . 4.129 3.588 3.468 3.916 . 0 0 "[ . 1]" 1
666 2 4 PRO QB 3 2 TYR QD 4.950 . 7.155 2.842 2.575 3.283 . 0 0 "[ . 1]" 1
667 2 4 PRO QB 3 2 TYR QE 5.240 . 7.648 2.638 2.379 3.162 . 0 0 "[ . 1]" 1
668 2 4 PRO QG 2 20 TRP HD1 3.710 . 5.047 4.346 4.116 4.790 . 0 0 "[ . 1]" 1
669 2 4 PRO QG 2 20 TRP HE1 3.920 . 5.404 3.817 3.577 4.053 . 0 0 "[ . 1]" 1
670 2 4 PRO HD2 2 15 ARG HG2 4.015 . 5.565 5.413 4.990 5.675 0.109 10 0 "[ . 1]" 1
671 2 4 PRO HD2 2 15 ARG HG3 4.015 . 5.565 5.535 5.311 5.690 0.125 8 0 "[ . 1]" 1
672 2 4 PRO QD 3 2 TYR QE 3.655 . 4.953 4.290 4.038 4.489 . 0 0 "[ . 1]" 1
673 2 5 GLU H 2 5 GLU HB2 2.690 2.312 2.825 2.628 2.502 2.693 . 0 0 "[ . 1]" 1
674 2 5 GLU H 2 5 GLU HB3 2.690 2.320 2.840 2.361 2.299 2.450 0.021 9 0 "[ . 1]" 1
675 2 5 GLU H 2 5 GLU HG2 3.320 . 4.384 4.431 4.402 4.467 0.083 4 0 "[ . 1]" 1
676 2 5 GLU H 2 5 GLU HG3 3.320 . 4.384 4.375 4.341 4.416 0.032 2 0 "[ . 1]" 1
677 2 5 GLU H 2 5 GLU QG 3.650 . 4.945 3.922 3.903 3.940 . 0 0 "[ . 1]" 1
678 2 5 GLU H 3 3 ILE MG 3.615 . 4.885 3.770 3.667 4.032 . 0 0 "[ . 1]" 1
679 2 5 GLU HA 2 5 GLU HG2 2.980 . 3.806 3.801 3.574 3.935 0.129 9 0 "[ . 1]" 1
680 2 5 GLU HA 2 5 GLU HG3 2.980 . 3.806 2.740 2.514 2.928 . 0 0 "[ . 1]" 1
681 2 5 GLU HA 2 5 GLU QG 2.895 . 3.661 2.680 2.473 2.853 . 0 0 "[ . 1]" 1
682 2 5 GLU HA 2 6 ALA H 2.655 . 3.253 2.177 2.149 2.222 . 0 0 "[ . 1]" 1
683 2 5 GLU HA 2 20 TRP HE1 3.205 . 4.188 3.345 3.120 3.502 . 0 0 "[ . 1]" 1
684 2 5 GLU HA 3 3 ILE MG 2.595 . 3.151 1.706 1.458 1.792 0.342 3 0 "[ . 1]" 1
685 2 5 GLU HA 3 3 ILE HG12 3.035 . 3.899 2.555 2.424 2.831 . 0 0 "[ . 1]" 1
686 2 5 GLU HA 3 3 ILE HG13 3.035 . 3.899 4.094 3.977 4.364 0.464 4 0 "[ . 1]" 1
687 2 5 GLU HA 3 3 ILE MD 2.580 . 3.126 2.968 2.587 3.309 0.183 3 0 "[ . 1]" 1
688 2 5 GLU HB2 3 3 ILE MG 3.030 . 3.891 2.171 1.866 2.683 . 0 0 "[ . 1]" 1
689 2 5 GLU HB3 3 3 ILE MG 3.030 . 3.891 3.389 3.261 3.709 . 0 0 "[ . 1]" 1
690 2 5 GLU QB 3 3 ILE MG 2.930 . 3.721 2.143 1.855 2.624 . 0 0 "[ . 1]" 1
691 2 5 GLU HG2 2 6 ALA H 3.080 . 3.976 3.721 3.305 3.982 0.006 9 0 "[ . 1]" 1
692 2 5 GLU HG3 2 6 ALA H 3.080 . 3.976 2.132 1.970 2.291 . 0 0 "[ . 1]" 1
693 2 5 GLU HG3 2 6 ALA MB 2.960 . 3.772 3.663 3.510 3.746 . 0 0 "[ . 1]" 1
694 2 5 GLU QG 2 6 ALA H 3.375 . 4.477 2.119 1.960 2.278 . 0 0 "[ . 1]" 1
695 2 5 GLU QG 2 7 PRO HA 3.655 . 4.953 4.584 4.428 4.759 . 0 0 "[ . 1]" 1
696 2 5 GLU QG 2 8 ARG QD 3.250 . 4.265 3.326 2.845 4.303 0.038 8 0 "[ . 1]" 1
697 2 5 GLU QG 3 15 ARG HE 4.565 . 4.896 4.000 3.526 5.058 0.162 7 0 "[ . 1]" 1
698 2 6 ALA H 3 3 ILE MG 3.550 . 4.775 2.018 1.784 2.258 0.016 2 0 "[ . 1]" 1
699 2 6 ALA HA 2 7 PRO QG 3.120 . 4.044 3.923 3.721 4.062 0.018 8 0 "[ . 1]" 1
700 2 6 ALA HA 2 7 PRO HD2 2.715 . 3.355 2.591 2.118 3.217 . 0 0 "[ . 1]" 1
701 2 6 ALA HA 2 7 PRO HD3 2.715 . 3.355 2.310 1.998 2.645 . 0 0 "[ . 1]" 1
702 2 6 ALA HA 2 7 PRO QD 2.595 . 3.151 2.059 1.980 2.180 . 0 0 "[ . 1]" 1
703 2 6 ALA HA 2 20 TRP QB 3.550 . 4.775 3.386 3.117 3.829 . 0 0 "[ . 1]" 1
704 2 6 ALA HA 2 20 TRP HD1 2.870 . 3.619 2.102 2.010 2.266 . 0 0 "[ . 1]" 1
705 2 6 ALA HA 2 20 TRP HE1 2.960 . 3.772 3.229 2.878 3.556 . 0 0 "[ . 1]" 1
706 2 6 ALA MB 2 7 PRO HD2 2.700 . 3.330 2.073 1.913 2.249 . 0 0 "[ . 1]" 1
707 2 6 ALA MB 2 7 PRO HD3 2.700 . 3.330 3.026 2.385 3.547 0.217 4 0 "[ . 1]" 1
708 2 6 ALA MB 2 7 PRO QD 2.565 . 3.101 2.019 1.871 2.183 . 0 0 "[ . 1]" 1
709 2 6 ALA MB 2 13 TYR HB2 2.920 . 3.100 2.821 2.636 3.107 0.007 2 0 "[ . 1]" 1
710 2 6 ALA MB 2 13 TYR HB3 2.920 . 3.704 3.433 3.211 3.712 0.008 2 0 "[ . 1]" 1
711 2 6 ALA MB 2 13 TYR QB 2.760 . 3.432 2.697 2.521 2.958 . 0 0 "[ . 1]" 1
712 2 6 ALA MB 2 13 TYR HD2 3.015 . 3.865 2.615 2.495 2.853 . 0 0 "[ . 1]" 1
713 2 6 ALA MB 2 13 TYR HE2 3.160 . 4.112 3.847 3.728 4.118 0.006 10 0 "[ . 1]" 1
714 2 6 ALA MB 2 20 TRP HB2 3.110 . 4.027 2.871 2.443 3.395 . 0 0 "[ . 1]" 1
715 2 6 ALA MB 2 20 TRP HB3 3.110 . 4.027 2.506 2.196 3.022 . 0 0 "[ . 1]" 1
716 2 6 ALA MB 2 20 TRP QB 2.620 . 3.194 2.354 2.079 2.825 . 0 0 "[ . 1]" 1
717 2 6 ALA MB 2 20 TRP HD1 2.825 . 3.543 2.822 2.572 2.953 . 0 0 "[ . 1]" 1
718 2 6 ALA MB 2 20 TRP HE3 2.975 . 3.797 3.630 3.433 3.825 0.027 10 0 "[ . 1]" 1
719 2 6 ALA MB 3 15 ARG HB2 2.960 . 3.772 3.687 3.449 3.837 0.065 8 0 "[ . 1]" 1
720 2 6 ALA MB 3 15 ARG HB3 2.960 . 3.772 2.464 2.256 2.624 . 0 0 "[ . 1]" 1
721 2 6 ALA MB 3 15 ARG HG2 2.675 . 4.287 3.887 3.601 4.174 . 0 0 "[ . 1]" 1
722 2 6 ALA MB 3 15 ARG HG3 2.675 . 4.287 2.493 2.166 2.816 . 0 0 "[ . 1]" 1
723 2 6 ALA MB 3 15 ARG QG 2.580 . 3.126 2.464 2.149 2.770 . 0 0 "[ . 1]" 1
724 2 6 ALA MB 3 15 ARG QD 3.210 . 4.197 3.801 3.627 4.155 . 0 0 "[ . 1]" 1
725 2 7 PRO HB2 2 13 TYR HE2 3.120 . 4.044 2.633 2.143 3.616 . 0 0 "[ . 1]" 1
726 2 7 PRO HB3 2 13 TYR HE2 3.120 . 4.044 4.187 3.832 4.882 0.838 8 2 "[ . + -]" 1
727 2 7 PRO QB 2 13 TYR HE2 3.010 . 3.857 2.601 2.132 3.510 . 0 0 "[ . 1]" 1
728 2 7 PRO QG 2 13 TYR HE2 3.095 . 4.002 2.407 1.936 3.016 . 0 0 "[ . 1]" 1
729 2 7 PRO QG 2 13 TYR HE1 3.015 . 3.865 3.976 3.828 4.689 0.824 10 1 "[ . +]" 1
730 2 7 PRO QD 2 9 ASP QB 4.080 . 6.376 6.268 5.757 6.408 0.032 8 0 "[ . 1]" 1
731 2 7 PRO QD 2 20 TRP HD1 3.425 . 4.563 2.827 2.608 3.103 . 0 0 "[ . 1]" 1
732 2 8 ARG HA 2 8 ARG HG2 2.770 . 3.449 3.212 2.173 3.565 0.116 5 0 "[ . 1]" 1
733 2 8 ARG HA 2 8 ARG HG3 2.770 . 3.449 2.383 2.112 3.111 . 0 0 "[ . 1]" 1
734 2 8 ARG HA 2 8 ARG QG 2.645 . 3.237 2.184 2.092 2.297 . 0 0 "[ . 1]" 1
735 2 8 ARG HA 2 8 ARG QD 2.905 . 3.678 3.285 2.728 3.934 0.256 7 0 "[ . 1]" 1
736 2 8 ARG HA 2 9 ASP H 2.650 . 3.245 2.457 2.258 2.667 . 0 0 "[ . 1]" 1
737 2 8 ARG HA 2 10 GLY H 3.040 . 3.908 3.116 2.977 3.213 . 0 0 "[ . 1]" 1
738 2 8 ARG HA 3 17 ASP H 3.040 . 3.908 2.741 2.394 2.967 . 0 0 "[ . 1]" 1
739 2 8 ARG HA 3 17 ASP HA 2.570 . 3.109 2.013 1.780 2.476 0.020 2 0 "[ . 1]" 1
740 2 8 ARG HA 3 17 ASP QB 3.720 . 5.064 3.900 3.430 4.312 . 0 0 "[ . 1]" 1
741 2 8 ARG HA 3 18 GLY QA 3.630 . 5.611 4.923 4.653 5.251 . 0 0 "[ . 1]" 1
742 2 8 ARG HB2 2 9 ASP H 3.320 3.161 4.384 4.452 4.374 4.494 0.110 4 0 "[ . 1]" 1
743 2 8 ARG HB2 3 17 ASP HA 3.195 . 4.172 4.115 3.865 4.229 0.058 10 0 "[ . 1]" 1
744 2 8 ARG HB3 2 9 ASP H 3.320 3.015 4.230 4.224 4.053 4.293 0.063 9 0 "[ . 1]" 1
745 2 8 ARG HB3 3 17 ASP HA 3.195 . 4.172 3.103 2.871 3.431 . 0 0 "[ . 1]" 1
746 2 8 ARG QB 2 8 ARG QD 2.735 . 3.389 2.297 2.048 2.647 . 0 0 "[ . 1]" 1
747 2 8 ARG QB 2 9 ASP HA 3.650 . 4.945 4.273 4.215 4.357 . 0 0 "[ . 1]" 1
748 2 8 ARG QB 3 17 ASP HA 3.045 . 3.917 3.014 2.819 3.282 . 0 0 "[ . 1]" 1
749 2 8 ARG HG2 3 17 ASP HA 3.010 . 3.857 3.024 1.916 3.618 . 0 0 "[ . 1]" 1
750 2 8 ARG HG2 3 18 GLY H 3.275 . 4.307 3.737 2.292 4.249 . 0 0 "[ . 1]" 1
751 2 8 ARG HG3 3 17 ASP HA 3.010 . 3.857 2.304 1.772 3.883 0.028 3 0 "[ . 1]" 1
752 2 8 ARG HG3 3 18 GLY H 3.275 . 4.307 2.810 2.427 3.930 . 0 0 "[ . 1]" 1
753 2 8 ARG QG 3 17 ASP HA 2.860 . 3.602 1.950 1.742 2.501 0.058 3 0 "[ . 1]" 1
754 2 8 ARG QG 3 18 GLY H 3.530 . 4.741 2.529 2.260 2.716 . 0 0 "[ . 1]" 1
755 2 8 ARG QG 3 18 GLY QA 4.105 . 5.719 3.039 2.857 3.301 . 0 0 "[ . 1]" 1
756 2 8 ARG QD 3 17 ASP HA 2.850 . 3.585 3.603 2.952 4.279 0.694 10 1 "[ . +]" 1
757 2 8 ARG QD 3 18 GLY HA3 3.055 . 3.934 3.361 2.555 3.943 0.009 3 0 "[ . 1]" 1
758 2 8 ARG QD 3 18 GLY HA2 3.055 . 3.934 3.563 2.951 4.212 0.278 3 0 "[ . 1]" 1
759 2 8 ARG QD 3 18 GLY QA 2.975 . 3.797 3.025 2.511 3.619 . 0 0 "[ . 1]" 1
760 2 9 ASP H 2 10 GLY H 2.535 . 3.049 2.347 1.952 2.487 . 0 0 "[ . 1]" 1
761 2 9 ASP H 3 17 ASP H 3.175 . 4.137 3.624 3.136 4.060 . 0 0 "[ . 1]" 1
762 2 9 ASP H 3 17 ASP HA 3.230 . 4.231 3.962 3.396 4.614 0.383 7 0 "[ . 1]" 1
763 2 9 ASP HA 2 10 GLY QA 3.705 . 5.038 4.129 4.101 4.192 . 0 0 "[ . 1]" 1
764 2 9 ASP HB2 2 10 GLY H 3.385 . 4.495 4.296 3.699 4.454 . 0 0 "[ . 1]" 1
765 2 9 ASP HB3 2 10 GLY H 3.385 . 4.495 4.451 3.793 4.564 0.070 3 0 "[ . 1]" 1
766 2 10 GLY H 2 11 GLN H 2.850 . 3.585 2.497 2.447 2.590 . 0 0 "[ . 1]" 1
767 2 10 GLY HA3 3 16 LYS QE 3.190 . 4.163 3.563 3.070 3.887 . 0 0 "[ . 1]" 1
768 2 10 GLY HA2 3 16 LYS QE 3.190 . 4.163 2.876 2.479 3.205 . 0 0 "[ . 1]" 1
769 2 10 GLY QA 3 16 LYS QG 3.530 . 4.741 2.760 2.061 3.516 . 0 0 "[ . 1]" 1
770 2 10 GLY QA 3 16 LYS QD 3.125 . 4.052 3.946 3.004 4.169 0.117 3 0 "[ . 1]" 1
771 2 10 GLY QA 3 16 LYS QE 2.920 . 3.704 2.755 2.425 3.043 . 0 0 "[ . 1]" 1
772 2 11 GLN H 2 11 GLN QG 3.820 . 5.234 3.423 2.512 4.002 . 0 0 "[ . 1]" 1
773 2 11 GLN H 2 12 ALA H 3.110 . 5.027 4.461 4.420 4.524 . 0 0 "[ . 1]" 1
774 2 11 GLN H 2 13 TYR HE2 3.230 . 4.231 4.128 3.777 4.274 0.043 2 0 "[ . 1]" 1
775 2 11 GLN HA 2 11 GLN HG2 2.865 . 3.611 2.896 2.381 3.388 . 0 0 "[ . 1]" 1
776 2 11 GLN HA 2 11 GLN HG3 2.865 . 3.611 3.138 2.018 3.777 0.166 9 0 "[ . 1]" 1
777 2 11 GLN HA 2 11 GLN QG 2.755 . 3.424 2.498 1.988 2.893 . 0 0 "[ . 1]" 1
778 2 11 GLN HA 2 12 ALA H 2.550 . 3.075 2.254 2.215 2.301 . 0 0 "[ . 1]" 1
779 2 11 GLN HA 2 22 LEU QD 3.825 . 5.242 3.407 3.091 3.754 . 0 0 "[ . 1]" 1
780 2 11 GLN HA 3 16 LYS QD 3.115 . 4.036 3.872 2.644 4.210 0.175 5 0 "[ . 1]" 1
781 2 11 GLN HB2 2 12 ALA H 2.965 2.690 3.780 3.984 3.815 4.280 0.500 2 0 "[ . 1]" 1
782 2 11 GLN HB2 2 13 TYR HE2 3.055 . 3.934 3.578 2.654 4.476 0.543 6 1 "[ .+ 1]" 1
783 2 11 GLN HB2 2 22 LEU MD1 3.840 . 4.124 4.091 3.943 4.201 0.077 10 0 "[ . 1]" 1
784 2 11 GLN HB2 2 22 LEU MD2 . . 2.790 2.906 2.723 3.070 0.280 2 0 "[ . 1]" 1
785 2 11 GLN HB3 2 12 ALA H 2.965 2.361 3.423 2.870 2.726 3.194 . 0 0 "[ . 1]" 1
786 2 11 GLN HB3 2 13 TYR HE2 3.055 . 3.934 4.009 3.863 4.089 0.155 10 0 "[ . 1]" 1
787 2 11 GLN HB3 2 22 LEU MD1 3.840 . 5.268 3.294 2.754 3.745 . 0 0 "[ . 1]" 1
788 2 11 GLN HB3 2 22 LEU MD2 . . 2.755 1.757 1.710 1.828 0.090 1 0 "[ . 1]" 1
789 2 11 GLN QB 2 13 TYR HE1 3.465 . 4.630 4.668 4.605 4.756 0.125 4 0 "[ . 1]" 1
790 2 11 GLN QB 2 22 LEU QD 2.870 . 3.619 1.733 1.693 1.800 0.107 1 0 "[ . 1]" 1
791 2 11 GLN HG2 2 22 LEU MD1 3.885 . 5.345 3.515 2.406 4.552 . 0 0 "[ . 1]" 1
792 2 11 GLN HG2 2 22 LEU MD2 3.885 . 5.345 3.098 1.800 4.295 0.000 3 0 "[ . 1]" 1
793 2 11 GLN HG3 2 22 LEU MD1 3.885 . 5.345 3.220 1.983 4.564 . 0 0 "[ . 1]" 1
794 2 11 GLN HG3 2 22 LEU MD2 3.885 . 5.345 2.959 1.967 3.896 . 0 0 "[ . 1]" 1
795 2 11 GLN QG 2 22 LEU QD 3.010 . 3.857 2.217 1.741 3.062 0.059 3 0 "[ . 1]" 1
796 2 11 GLN HE21 2 22 LEU MD1 3.755 3.033 4.266 4.078 3.044 4.402 0.137 5 0 "[ . 1]" 1
797 2 11 GLN HE21 2 22 LEU MD2 3.755 2.945 4.090 3.935 2.967 4.508 0.418 10 0 "[ . 1]" 1
798 2 11 GLN HE22 2 22 LEU MD1 3.755 3.056 4.311 3.935 3.198 4.269 . 0 0 "[ . 1]" 1
799 2 11 GLN HE22 2 22 LEU MD2 3.755 3.018 4.236 4.009 3.707 4.417 0.181 4 0 "[ . 1]" 1
800 2 11 GLN QE 2 22 LEU QD 4.530 . 6.441 3.106 2.630 3.320 . 0 0 "[ . 1]" 1
801 2 12 ALA H 2 13 TYR H 3.315 . 4.376 4.463 4.433 4.498 0.122 4 0 "[ . 1]" 1
802 2 12 ALA H 2 22 LEU QD 5.000 . 7.240 2.788 2.453 3.133 . 0 0 "[ . 1]" 1
803 2 12 ALA HA 2 13 TYR H 2.600 . 3.160 2.074 2.042 2.110 . 0 0 "[ . 1]" 1
804 2 12 ALA HA 2 13 TYR QB 3.095 . 4.002 4.124 4.080 4.169 0.167 5 0 "[ . 1]" 1
805 2 12 ALA HA 2 13 TYR HD2 3.195 . 4.172 3.969 3.689 4.159 . 0 0 "[ . 1]" 1
806 2 12 ALA HA 2 22 LEU QD 4.010 . 5.557 4.111 3.822 4.381 . 0 0 "[ . 1]" 1
807 2 12 ALA HA 3 14 VAL QG 3.760 . 5.132 3.108 2.525 3.417 . 0 0 "[ . 1]" 1
808 2 12 ALA HA 3 16 LYS QB 2.615 . 3.185 1.741 1.498 1.920 0.302 1 0 "[ . 1]" 1
809 2 12 ALA HA 3 16 LYS QD 2.870 . 3.619 3.512 3.133 3.679 0.060 6 0 "[ . 1]" 1
810 2 12 ALA MB 2 23 LEU H 3.825 . 5.242 3.183 2.984 3.332 . 0 0 "[ . 1]" 1
811 2 12 ALA MB 2 23 LEU HB2 2.805 . 3.509 2.437 2.301 2.635 . 0 0 "[ . 1]" 1
812 2 12 ALA MB 2 23 LEU HB3 2.805 . 3.274 2.180 2.060 2.548 . 0 0 "[ . 1]" 1
813 2 12 ALA MB 2 23 LEU QB 2.590 . 3.143 2.025 1.922 2.147 . 0 0 "[ . 1]" 1
814 2 12 ALA MB 3 14 VAL HB 2.760 . 3.432 2.412 1.867 3.873 0.441 9 0 "[ . 1]" 1
815 2 12 ALA MB 3 14 VAL QG 2.605 . 3.168 1.777 1.585 1.875 0.215 3 0 "[ . 1]" 1
816 2 12 ALA MB 3 16 LYS QD 2.750 . 4.115 2.753 2.359 2.977 . 0 0 "[ . 1]" 1
817 2 12 ALA MB 3 16 LYS QE 4.160 . 5.812 3.882 3.394 4.297 . 0 0 "[ . 1]" 1
818 2 12 ALA MB 3 26 PHE QB 3.530 . 4.741 4.268 4.111 4.438 . 0 0 "[ . 1]" 1
819 2 12 ALA MB 3 26 PHE QD 2.915 . 3.695 3.464 3.349 3.672 . 0 0 "[ . 1]" 1
820 2 12 ALA MB 3 26 PHE QE 2.730 . 3.381 2.410 2.202 2.818 . 0 0 "[ . 1]" 1
821 2 12 ALA MB 3 26 PHE HZ 2.760 . 3.432 2.362 2.005 3.105 . 0 0 "[ . 1]" 1
822 2 13 TYR H 2 13 TYR HD2 3.005 . 3.849 3.270 3.087 3.400 . 0 0 "[ . 1]" 1
823 2 13 TYR H 2 14 VAL QG 5.075 . 7.367 4.746 4.271 5.424 . 0 0 "[ . 1]" 1
824 2 13 TYR H 3 15 ARG H 3.025 . 3.882 2.679 2.430 3.085 . 0 0 "[ . 1]" 1
825 2 13 TYR HA 2 13 TYR HD2 3.075 . 3.967 4.097 4.038 4.150 0.183 10 0 "[ . 1]" 1
826 2 13 TYR HA 2 13 TYR HE1 3.240 . 4.248 4.512 4.388 4.730 0.482 5 0 "[ . 1]" 1
827 2 13 TYR HA 2 13 TYR HD1 2.935 . 3.730 2.559 2.413 2.762 . 0 0 "[ . 1]" 1
828 2 13 TYR HA 2 14 VAL H 2.595 . 3.151 2.150 2.038 2.240 . 0 0 "[ . 1]" 1
829 2 13 TYR HA 2 14 VAL HB 3.220 . 4.640 4.730 4.191 4.991 0.351 8 0 "[ . 1]" 1
830 2 13 TYR HA 2 14 VAL QG 3.595 . 4.852 3.046 2.506 4.377 . 0 0 "[ . 1]" 1
831 2 13 TYR HA 2 20 TRP HA 3.250 . 5.265 4.874 4.771 5.030 . 0 0 "[ . 1]" 1
832 2 13 TYR HA 2 22 LEU HA 2.675 . 3.287 2.597 2.431 2.696 . 0 0 "[ . 1]" 1
833 2 13 TYR HA 2 22 LEU QB 3.010 . 4.557 4.680 4.565 4.768 0.211 6 0 "[ . 1]" 1
834 2 13 TYR HA 2 22 LEU QD 3.765 . 5.141 3.332 3.219 3.638 . 0 0 "[ . 1]" 1
835 2 13 TYR HA 2 23 LEU H 2.785 . 3.474 2.738 2.592 2.854 . 0 0 "[ . 1]" 1
836 2 13 TYR HA 3 14 VAL QG 3.705 . 5.038 3.554 3.280 3.877 . 0 0 "[ . 1]" 1
837 2 13 TYR HB2 2 14 VAL H 3.150 2.931 4.061 3.776 3.710 3.899 . 0 0 "[ . 1]" 1
838 2 13 TYR HB2 2 20 TRP HA 3.185 . 4.155 4.269 4.169 4.324 0.169 6 0 "[ . 1]" 1
839 2 13 TYR HB2 2 20 TRP HB2 4.040 . 4.836 4.347 4.185 4.483 . 0 0 "[ . 1]" 1
840 2 13 TYR HB2 2 20 TRP HB3 4.040 . 4.885 2.690 2.532 2.806 . 0 0 "[ . 1]" 1
841 2 13 TYR HB2 2 20 TRP QB 2.950 . 3.755 2.665 2.512 2.779 . 0 0 "[ . 1]" 1
842 2 13 TYR HB2 2 20 TRP HE3 3.240 . 4.248 2.819 2.683 2.913 . 0 0 "[ . 1]" 1
843 2 13 TYR HB2 2 20 TRP HZ3 3.190 . 4.163 4.269 4.215 4.362 0.199 4 0 "[ . 1]" 1
844 2 13 TYR HB2 2 21 VAL H 3.390 3.188 4.503 4.718 4.622 4.825 0.322 6 0 "[ . 1]" 1
845 2 13 TYR HB2 3 15 ARG HB2 3.110 . 3.841 3.681 3.514 3.870 0.030 5 0 "[ . 1]" 1
846 2 13 TYR HB2 3 15 ARG HB3 3.110 . 4.027 2.624 2.506 2.716 . 0 0 "[ . 1]" 1
847 2 13 TYR HB3 2 14 VAL H 3.150 2.617 3.434 2.552 2.497 2.671 0.119 5 0 "[ . 1]" 1
848 2 13 TYR HB3 2 20 TRP HA 3.185 . 4.155 2.813 2.739 2.910 . 0 0 "[ . 1]" 1
849 2 13 TYR HB3 2 20 TRP HB2 4.040 . 4.885 3.641 3.569 3.734 . 0 0 "[ . 1]" 1
850 2 13 TYR HB3 2 20 TRP HB3 4.040 . 4.836 1.923 1.851 2.015 . 0 0 "[ . 1]" 1
851 2 13 TYR HB3 2 20 TRP QB 2.950 . 3.638 1.916 1.845 2.007 . 0 0 "[ . 1]" 1
852 2 13 TYR HB3 2 20 TRP HE3 . . 3.178 1.908 1.763 2.001 0.037 9 0 "[ . 1]" 1
853 2 13 TYR HB3 2 20 TRP HZ3 3.190 . 4.163 4.053 3.925 4.182 0.019 5 0 "[ . 1]" 1
854 2 13 TYR HB3 2 21 VAL H 3.390 3.251 4.503 3.013 2.896 3.111 0.355 1 0 "[ . 1]" 1
855 2 13 TYR HB3 3 15 ARG HB2 3.110 . 4.439 4.620 4.532 4.907 0.468 5 0 "[ . 1]" 1
856 2 13 TYR HB3 3 15 ARG HB3 3.110 . 4.027 3.927 3.843 4.064 0.037 5 0 "[ . 1]" 1
857 2 13 TYR QB 2 14 VAL HA 3.740 . 5.098 4.015 3.860 4.121 . 0 0 "[ . 1]" 1
858 2 13 TYR QB 2 14 VAL HB 3.595 . 4.852 5.028 4.819 5.146 0.294 5 0 "[ . 1]" 1
859 2 13 TYR QB 2 20 TRP HA 3.095 . 4.002 2.776 2.707 2.865 . 0 0 "[ . 1]" 1
860 2 13 TYR QB 2 20 TRP QB 2.845 . 3.576 1.875 1.814 1.962 . 0 0 "[ . 1]" 1
861 2 13 TYR QB 2 20 TRP HE3 3.150 . 4.095 1.878 1.743 1.954 0.057 9 0 "[ . 1]" 1
862 2 13 TYR QB 2 21 VAL HA 3.640 . 4.928 4.540 4.383 4.642 . 0 0 "[ . 1]" 1
863 2 13 TYR QB 2 22 LEU QD 4.385 . 6.194 4.330 4.156 4.561 . 0 0 "[ . 1]" 1
864 2 13 TYR QB 3 15 ARG QB 2.935 . 3.730 2.526 2.420 2.622 . 0 0 "[ . 1]" 1
865 2 13 TYR HD2 2 22 LEU QD 5.310 . 7.767 4.275 4.078 4.422 . 0 0 "[ . 1]" 1
866 2 13 TYR HE1 2 20 TRP QB 3.650 . 4.945 3.921 3.791 4.030 . 0 0 "[ . 1]" 1
867 2 13 TYR HE1 2 21 VAL HA 3.460 . 4.622 3.240 2.841 3.509 . 0 0 "[ . 1]" 1
868 2 13 TYR HE1 2 22 LEU H 3.195 . 4.172 2.988 2.656 3.270 . 0 0 "[ . 1]" 1
869 2 13 TYR HE1 2 22 LEU HG 2.955 . 3.763 2.920 2.456 3.900 0.137 10 0 "[ . 1]" 1
870 2 13 TYR HE1 2 22 LEU MD1 3.960 . 5.472 4.362 4.078 4.775 . 0 0 "[ . 1]" 1
871 2 13 TYR HE1 2 22 LEU MD2 3.960 . 5.472 3.335 2.314 3.756 . 0 0 "[ . 1]" 1
872 2 13 TYR HE1 2 22 LEU QD 3.560 . 4.792 3.206 2.309 3.548 . 0 0 "[ . 1]" 1
873 2 13 TYR HD1 2 20 TRP HA 3.130 . 4.061 3.746 3.535 3.899 . 0 0 "[ . 1]" 1
874 2 13 TYR HD1 2 20 TRP HB2 2.955 . 3.763 3.864 3.782 3.998 0.235 6 0 "[ . 1]" 1
875 2 13 TYR HD1 2 20 TRP HB3 2.955 . 3.763 2.843 2.751 2.955 . 0 0 "[ . 1]" 1
876 2 13 TYR HD1 2 20 TRP QB 3.990 . 5.523 2.774 2.693 2.881 . 0 0 "[ . 1]" 1
877 2 13 TYR HD1 2 21 VAL H 3.170 . 4.129 2.956 2.741 3.134 . 0 0 "[ . 1]" 1
878 2 13 TYR HD1 2 21 VAL HA 3.285 . 4.325 2.660 2.543 2.804 . 0 0 "[ . 1]" 1
879 2 13 TYR HD1 2 22 LEU QB 3.835 . 5.260 4.271 4.063 4.469 . 0 0 "[ . 1]" 1
880 2 13 TYR HD1 2 22 LEU QD 3.885 . 5.345 3.578 3.048 3.981 . 0 0 "[ . 1]" 1
881 2 14 VAL H 2 20 TRP HA 3.240 . 4.248 3.766 3.674 3.896 . 0 0 "[ . 1]" 1
882 2 14 VAL H 2 20 TRP HE3 3.110 . 4.027 3.105 2.815 3.263 . 0 0 "[ . 1]" 1
883 2 14 VAL H 2 21 VAL H 2.940 . 3.738 2.478 2.305 2.681 . 0 0 "[ . 1]" 1
884 2 14 VAL H 2 21 VAL QG 4.720 . 6.764 3.645 2.218 3.947 . 0 0 "[ . 1]" 1
885 2 14 VAL H 2 22 LEU HA 3.295 . 4.341 4.050 3.950 4.115 . 0 0 "[ . 1]" 1
886 2 14 VAL H 2 23 LEU H 3.125 . 4.052 4.054 3.912 4.128 0.075 10 0 "[ . 1]" 1
887 2 14 VAL HA 2 14 VAL MG1 2.745 . 3.407 2.660 2.098 3.188 . 0 0 "[ . 1]" 1
888 2 14 VAL HA 2 14 VAL MG2 2.745 . 3.407 2.646 2.138 2.973 . 0 0 "[ . 1]" 1
889 2 14 VAL HA 2 14 VAL QG 2.420 . 2.854 2.238 2.057 2.483 . 0 0 "[ . 1]" 1
890 2 14 VAL HA 2 15 ARG H 2.715 . 3.355 2.377 2.330 2.455 . 0 0 "[ . 1]" 1
891 2 14 VAL HA 2 15 ARG HB2 3.270 . 4.299 4.010 3.884 4.203 . 0 0 "[ . 1]" 1
892 2 14 VAL HA 2 15 ARG QB 3.200 . 4.180 3.885 3.778 4.055 . 0 0 "[ . 1]" 1
893 2 14 VAL HA 2 20 TRP HZ3 3.230 . 4.231 3.028 2.589 3.341 . 0 0 "[ . 1]" 1
894 2 14 VAL HB 2 15 ARG H 2.615 . 3.430 3.482 3.079 4.163 0.733 2 1 "[ + . 1]" 1
895 2 14 VAL HB 2 23 LEU QD 3.915 . 5.396 4.221 3.224 4.954 . 0 0 "[ . 1]" 1
896 2 14 VAL MG1 2 15 ARG H 3.450 . 4.605 3.087 2.360 3.947 . 0 0 "[ . 1]" 1
897 2 14 VAL MG2 2 15 ARG H 3.450 . 4.605 3.142 1.763 4.269 0.037 7 0 "[ . 1]" 1
898 2 14 VAL MG2 2 26 PHE QD 2.950 . 3.755 3.302 2.237 4.358 0.603 7 1 "[ . + 1]" 1
899 2 14 VAL MG2 2 26 PHE QE 3.010 . 3.857 3.017 2.016 3.808 . 0 0 "[ . 1]" 1
900 2 14 VAL QG 2 15 ARG H 3.765 . 5.141 2.256 1.760 2.894 0.040 7 0 "[ . 1]" 1
901 2 14 VAL QG 2 16 LYS QB 3.970 . 5.489 3.204 2.020 3.790 . 0 0 "[ . 1]" 1
902 2 14 VAL QG 2 16 LYS QE 5.270 . 7.699 5.221 4.348 5.832 . 0 0 "[ . 1]" 1
903 2 14 VAL QG 2 20 TRP HA 4.025 . 5.582 4.386 3.780 4.704 . 0 0 "[ . 1]" 1
904 2 14 VAL QG 2 21 VAL H 4.960 . 7.172 3.056 2.699 3.415 . 0 0 "[ . 1]" 1
905 2 14 VAL QG 2 21 VAL HB 3.565 . 4.800 2.573 1.917 3.897 . 0 0 "[ . 1]" 1
906 2 14 VAL QG 2 23 LEU H 4.815 . 6.925 3.367 2.883 4.856 . 0 0 "[ . 1]" 1
907 2 14 VAL QG 2 23 LEU QD 4.135 . 5.769 2.787 2.356 3.281 . 0 0 "[ . 1]" 1
908 2 14 VAL QG 2 26 PHE HZ 3.760 . 5.132 3.384 2.882 3.734 . 0 0 "[ . 1]" 1
909 2 14 VAL QG 3 23 LEU QD 4.005 . 5.549 3.651 3.164 4.078 . 0 0 "[ . 1]" 1
910 2 15 ARG HA 2 15 ARG HG2 3.000 . 3.840 3.037 2.833 3.230 . 0 0 "[ . 1]" 1
911 2 15 ARG HA 2 15 ARG HG3 3.000 . 3.840 3.577 3.431 3.660 . 0 0 "[ . 1]" 1
912 2 15 ARG HA 2 15 ARG QG 2.885 . 3.645 2.869 2.742 2.993 . 0 0 "[ . 1]" 1
913 2 15 ARG HA 2 15 ARG HD2 2.650 . 3.245 1.862 1.779 2.118 0.021 6 0 "[ . 1]" 1
914 2 15 ARG HA 2 15 ARG HD3 2.650 . 3.245 2.640 1.916 3.115 . 0 0 "[ . 1]" 1
915 2 15 ARG HA 2 15 ARG QD 2.550 . 3.075 1.782 1.736 1.837 0.064 9 0 "[ . 1]" 1
916 2 15 ARG HA 2 16 LYS H 2.590 . 3.143 2.040 2.021 2.076 . 0 0 "[ . 1]" 1
917 2 15 ARG HA 2 19 GLU H 3.225 . 4.222 4.374 4.278 4.901 0.678 5 1 "[ + 1]" 1
918 2 15 ARG HA 2 20 TRP HA 2.740 . 3.398 3.132 2.980 3.290 . 0 0 "[ . 1]" 1
919 2 15 ARG HA 2 20 TRP HE3 3.470 . 4.639 3.236 3.149 3.310 . 0 0 "[ . 1]" 1
920 2 15 ARG HB2 2 20 TRP HZ3 3.495 . 3.688 2.405 2.311 2.524 . 0 0 "[ . 1]" 1
921 2 15 ARG HB3 2 20 TRP HZ3 3.495 . 3.905 4.055 3.972 4.164 0.259 8 0 "[ . 1]" 1
922 2 15 ARG QB 2 20 TRP HE3 3.715 . 5.056 4.029 3.940 4.152 . 0 0 "[ . 1]" 1
923 2 15 ARG QB 2 20 TRP HZ3 2.830 . 3.551 2.388 2.297 2.504 . 0 0 "[ . 1]" 1
924 2 15 ARG QB 2 20 TRP HZ2 3.700 . 5.030 4.542 4.065 4.807 . 0 0 "[ . 1]" 1
925 2 15 ARG QB 2 20 TRP HH2 4.040 . 5.608 2.839 2.404 3.053 . 0 0 "[ . 1]" 1
926 2 15 ARG QG 2 20 TRP HA 3.365 . 4.460 4.618 4.474 5.038 0.577 9 1 "[ . +1]" 1
927 2 15 ARG QG 2 20 TRP HH2 4.280 . 6.016 2.182 2.110 2.459 . 0 0 "[ . 1]" 1
928 2 15 ARG HD2 2 16 LYS H 3.130 . 4.061 2.448 2.281 2.662 . 0 0 "[ . 1]" 1
929 2 15 ARG HD2 2 20 TRP HA 3.035 . 4.600 3.936 3.812 4.072 . 0 0 "[ . 1]" 1
930 2 15 ARG HD2 2 20 TRP HZ2 3.175 . 5.137 5.188 5.085 5.292 0.154 1 0 "[ . 1]" 1
931 2 15 ARG HD2 2 20 TRP HH2 3.055 . 4.933 4.902 4.796 5.035 0.102 5 0 "[ . 1]" 1
932 2 15 ARG HD3 2 16 LYS H 3.130 . 4.061 3.814 3.389 4.137 0.076 8 0 "[ . 1]" 1
933 2 15 ARG HD3 2 20 TRP HA 3.035 . 4.600 3.695 2.883 4.399 . 0 0 "[ . 1]" 1
934 2 15 ARG HD3 2 20 TRP HZ2 3.175 . 4.137 3.794 3.655 3.984 . 0 0 "[ . 1]" 1
935 2 15 ARG HD3 2 20 TRP HH2 3.055 . 3.934 4.040 3.835 4.133 0.199 8 0 "[ . 1]" 1
936 2 15 ARG QD 2 16 LYS H 3.435 . 4.580 2.414 2.259 2.577 . 0 0 "[ . 1]" 1
937 2 15 ARG QD 2 20 TRP HA 2.930 . 3.721 3.316 2.819 3.722 0.001 7 0 "[ . 1]" 1
938 2 15 ARG QD 2 20 TRP HH2 2.965 . 3.780 3.857 3.715 3.919 0.138 8 0 "[ . 1]" 1
939 2 16 LYS H 2 16 LYS QG 3.365 . 4.460 3.543 2.939 3.862 . 0 0 "[ . 1]" 1
940 2 16 LYS H 2 19 GLU H 2.830 . 3.551 3.141 3.005 3.522 . 0 0 "[ . 1]" 1
941 2 16 LYS H 2 20 TRP HA 3.220 . 4.214 3.753 3.501 3.827 . 0 0 "[ . 1]" 1
942 2 16 LYS HA 2 16 LYS QG 2.680 . 3.296 2.974 2.686 3.245 . 0 0 "[ . 1]" 1
943 2 16 LYS HA 2 17 ASP H 2.635 . 3.220 2.181 2.151 2.204 . 0 0 "[ . 1]" 1
944 2 16 LYS QB 2 17 ASP H 3.670 . 4.979 3.591 3.251 3.711 . 0 0 "[ . 1]" 1
945 2 16 LYS QG 2 17 ASP H 3.340 . 4.418 3.096 2.554 3.460 . 0 0 "[ . 1]" 1
946 2 16 LYS QG 2 17 ASP HA 3.220 . 4.214 4.164 3.907 4.441 0.227 2 0 "[ . 1]" 1
947 2 16 LYS QG 2 17 ASP HB2 2.750 . 3.415 2.610 2.047 3.890 0.475 1 0 "[ . 1]" 1
948 2 16 LYS QG 2 17 ASP HB3 2.750 . 3.323 3.330 2.746 3.451 0.128 2 0 "[ . 1]" 1
949 2 16 LYS QG 2 19 GLU H 3.650 . 4.945 4.149 3.937 4.418 . 0 0 "[ . 1]" 1
950 2 16 LYS QD 2 21 VAL QG 2.690 . 3.313 2.180 1.708 3.228 0.092 2 0 "[ . 1]" 1
951 2 16 LYS QD 2 26 PHE QE 2.880 . 3.636 3.403 3.058 3.620 . 0 0 "[ . 1]" 1
952 2 16 LYS QD 2 26 PHE HZ 2.655 . 3.253 2.233 1.947 2.572 . 0 0 "[ . 1]" 1
953 2 16 LYS QE 2 26 PHE HZ 3.125 . 4.052 3.655 3.522 3.995 . 0 0 "[ . 1]" 1
954 2 17 ASP H 2 18 GLY H 3.010 . 3.857 2.903 2.791 3.090 . 0 0 "[ . 1]" 1
955 2 18 GLY H 2 19 GLU H 2.810 . 3.517 2.870 2.814 2.931 . 0 0 "[ . 1]" 1
956 2 18 GLY HA3 2 19 GLU HA 3.165 . 5.121 4.510 4.478 4.538 . 0 0 "[ . 1]" 1
957 2 18 GLY HA3 2 19 GLU HG2 4.060 . 5.642 4.163 3.467 4.969 . 0 0 "[ . 1]" 1
958 2 18 GLY HA3 2 19 GLU HG3 4.060 . 5.642 4.161 3.519 4.684 . 0 0 "[ . 1]" 1
959 2 18 GLY HA2 2 19 GLU HA 3.165 . 5.121 4.419 4.399 4.462 . 0 0 "[ . 1]" 1
960 2 18 GLY HA2 2 19 GLU HG2 4.060 . 5.642 5.045 4.376 5.662 0.020 4 0 "[ . 1]" 1
961 2 18 GLY HA2 2 19 GLU HG3 4.060 . 5.642 4.884 4.443 5.253 . 0 0 "[ . 1]" 1
962 2 18 GLY QA 2 19 GLU QG 3.355 . 4.444 3.450 3.238 3.645 . 0 0 "[ . 1]" 1
963 2 19 GLU H 2 19 GLU HB2 2.955 2.479 3.157 2.995 2.537 3.491 0.334 9 0 "[ . 1]" 1
964 2 19 GLU H 2 19 GLU HB3 2.955 2.674 3.548 3.723 3.671 3.812 0.264 1 0 "[ . 1]" 1
965 2 19 GLU H 2 19 GLU HG2 3.265 . 4.291 3.377 2.694 4.195 . 0 0 "[ . 1]" 1
966 2 19 GLU H 2 19 GLU HG3 3.265 . 4.291 2.584 1.974 3.414 . 0 0 "[ . 1]" 1
967 2 19 GLU H 2 19 GLU QG 3.605 . 4.869 2.487 1.954 3.272 . 0 0 "[ . 1]" 1
968 2 19 GLU HA 2 19 GLU HG2 2.935 . 3.730 2.920 2.349 3.452 . 0 0 "[ . 1]" 1
969 2 19 GLU HA 2 19 GLU HG3 2.935 . 3.730 3.430 2.902 3.814 0.084 7 0 "[ . 1]" 1
970 2 19 GLU HA 2 19 GLU QG 2.775 . 3.457 2.749 2.273 3.157 . 0 0 "[ . 1]" 1
971 2 19 GLU HA 2 20 TRP H 2.630 . 3.211 2.340 2.305 2.364 . 0 0 "[ . 1]" 1
972 2 19 GLU HA 2 20 TRP HA 3.190 . 4.163 4.319 4.296 4.390 0.227 5 0 "[ . 1]" 1
973 2 19 GLU HA 2 20 TRP QB 3.610 . 4.877 4.443 4.396 4.500 . 0 0 "[ . 1]" 1
974 2 19 GLU HA 2 20 TRP HD1 3.470 . 4.639 4.426 4.252 4.543 . 0 0 "[ . 1]" 1
975 2 19 GLU HB2 2 20 TRP H 2.995 2.726 3.652 3.223 2.692 3.726 0.073 8 0 "[ . 1]" 1
976 2 19 GLU HB3 2 20 TRP H 2.995 2.456 3.112 2.751 2.390 3.160 0.066 8 0 "[ . 1]" 1
977 2 19 GLU QG 2 20 TRP H 3.665 . 4.970 4.135 3.518 4.438 . 0 0 "[ . 1]" 1
978 2 20 TRP H 2 20 TRP HD1 3.230 . 4.231 3.411 3.333 3.515 . 0 0 "[ . 1]" 1
979 2 20 TRP H 2 21 VAL H 3.240 . 4.248 4.310 4.273 4.343 0.095 2 0 "[ . 1]" 1
980 2 20 TRP HA 2 20 TRP HE3 2.635 . 3.220 2.259 2.188 2.373 . 0 0 "[ . 1]" 1
981 2 20 TRP HA 2 21 VAL H 2.605 . 3.168 2.100 2.047 2.150 . 0 0 "[ . 1]" 1
982 2 20 TRP HA 2 21 VAL HA 3.080 . 4.976 4.375 4.341 4.426 . 0 0 "[ . 1]" 1
983 2 20 TRP HA 2 21 VAL QG 3.965 . 5.481 3.684 3.161 4.354 . 0 0 "[ . 1]" 1
984 2 20 TRP QB 2 21 VAL H 3.665 . 4.970 3.406 3.339 3.470 . 0 0 "[ . 1]" 1
985 2 20 TRP HE3 2 21 VAL H 3.080 . 3.976 3.162 3.078 3.351 . 0 0 "[ . 1]" 1
986 2 20 TRP HE3 2 21 VAL QG 3.895 . 5.361 4.849 4.040 5.082 . 0 0 "[ . 1]" 1
987 2 20 TRP HZ3 3 15 ARG HB2 2.905 . 3.678 2.883 2.750 2.947 . 0 0 "[ . 1]" 1
988 2 20 TRP HZ3 3 15 ARG HB3 2.905 . 3.678 3.807 3.741 3.933 0.255 9 0 "[ . 1]" 1
989 2 20 TRP HZ3 3 15 ARG QB 2.830 . 3.551 2.800 2.687 2.868 . 0 0 "[ . 1]" 1
990 2 20 TRP HZ2 3 3 ILE HB 3.365 . 5.460 5.056 4.752 5.285 . 0 0 "[ . 1]" 1
991 2 20 TRP HZ2 3 3 ILE QG 3.550 . 4.775 2.993 2.779 3.206 . 0 0 "[ . 1]" 1
992 2 20 TRP HZ2 3 3 ILE MD 2.435 . 2.879 1.748 1.711 1.821 0.089 2 0 "[ . 1]" 1
993 2 20 TRP HZ2 3 15 ARG HB2 3.435 . 4.580 4.510 4.294 4.609 0.029 7 0 "[ . 1]" 1
994 2 20 TRP HZ2 3 15 ARG HB3 3.435 . 4.580 4.698 4.642 4.734 0.155 4 0 "[ . 1]" 1
995 2 20 TRP HZ2 3 15 ARG QB 3.730 . 5.081 4.095 3.966 4.156 . 0 0 "[ . 1]" 1
996 2 20 TRP HZ2 3 15 ARG QG 4.335 . 6.109 3.379 3.202 3.507 . 0 0 "[ . 1]" 1
997 2 20 TRP HH2 3 3 ILE QG 3.830 . 5.251 4.460 4.194 4.827 . 0 0 "[ . 1]" 1
998 2 20 TRP HH2 3 3 ILE MD 2.575 . 3.118 2.544 2.267 2.900 . 0 0 "[ . 1]" 1
999 2 20 TRP HH2 3 15 ARG HG2 3.185 . 4.155 3.441 3.239 3.688 . 0 0 "[ . 1]" 1
1000 2 20 TRP HH2 3 15 ARG HG3 3.185 . 4.155 4.055 3.806 4.286 0.132 5 0 "[ . 1]" 1
1001 2 20 TRP HH2 3 15 ARG QG 3.080 . 3.976 3.254 3.070 3.360 . 0 0 "[ . 1]" 1
1002 2 21 VAL H 2 21 VAL HB 2.905 . 3.678 2.847 2.419 3.727 0.048 2 0 "[ . 1]" 1
1003 2 21 VAL HA 2 21 VAL QG 2.640 . 3.228 2.161 1.961 2.485 . 0 0 "[ . 1]" 1
1004 2 21 VAL HA 2 22 LEU H 2.560 . 3.092 2.081 2.049 2.144 . 0 0 "[ . 1]" 1
1005 2 21 VAL HA 2 22 LEU HA 3.175 . 4.137 4.208 4.106 4.253 0.115 4 0 "[ . 1]" 1
1006 2 21 VAL HA 2 22 LEU QB 2.960 . 3.772 3.911 3.830 3.934 0.162 3 0 "[ . 1]" 1
1007 2 21 VAL HB 2 22 LEU H 2.890 . 3.653 3.700 3.169 3.932 0.279 9 0 "[ . 1]" 1
1008 2 21 VAL HB 2 22 LEU HA 3.210 . 5.197 5.124 4.999 5.612 0.415 9 0 "[ . 1]" 1
1009 2 21 VAL HB 2 26 PHE QE 2.900 . 3.670 2.375 2.034 4.019 0.349 9 0 "[ . 1]" 1
1010 2 21 VAL HB 2 26 PHE HZ 3.065 . 3.951 3.646 3.253 4.306 0.356 2 0 "[ . 1]" 1
1011 2 21 VAL QG 2 26 PHE QE 2.735 . 3.389 2.125 1.621 2.499 0.179 9 0 "[ . 1]" 1
1012 2 21 VAL QG 2 26 PHE HZ 2.820 . 3.534 2.782 2.141 3.129 . 0 0 "[ . 1]" 1
1013 2 21 VAL QG 2 22 LEU H 3.940 . 5.438 2.208 1.875 3.317 . 0 0 "[ . 1]" 1
1014 2 21 VAL QG 2 26 PHE QD 3.825 . 5.242 3.579 3.105 3.773 . 0 0 "[ . 1]" 1
1015 2 22 LEU H 2 22 LEU MD1 3.560 . 4.792 4.095 3.967 4.438 . 0 0 "[ . 1]" 1
1016 2 22 LEU H 2 22 LEU MD2 3.560 . 4.792 3.675 3.109 3.909 . 0 0 "[ . 1]" 1
1017 2 22 LEU H 2 22 LEU QD 3.895 . 5.361 3.408 3.052 3.547 . 0 0 "[ . 1]" 1
1018 2 22 LEU HA 2 22 LEU HG 2.870 . 3.619 2.889 2.719 3.553 . 0 0 "[ . 1]" 1
1019 2 22 LEU HA 2 22 LEU MD1 2.705 . 3.339 3.577 2.950 3.727 0.388 8 0 "[ . 1]" 1
1020 2 22 LEU HA 2 22 LEU MD2 2.705 . 3.339 1.841 1.770 2.008 0.030 10 0 "[ . 1]" 1
1021 2 22 LEU HA 2 22 LEU QD 2.415 . 2.845 1.835 1.757 2.000 0.043 10 0 "[ . 1]" 1
1022 2 22 LEU HA 2 23 LEU H 2.575 . 3.118 2.080 2.055 2.137 . 0 0 "[ . 1]" 1
1023 2 22 LEU HA 2 23 LEU QB 3.470 . 4.639 3.946 3.885 4.087 . 0 0 "[ . 1]" 1
1024 2 22 LEU QB 2 22 LEU MD1 2.595 . 3.151 2.084 2.035 2.243 . 0 0 "[ . 1]" 1
1025 2 22 LEU QB 2 22 LEU MD2 2.595 . 3.151 2.435 2.341 2.549 . 0 0 "[ . 1]" 1
1026 2 22 LEU QB 2 22 LEU QD 2.320 . 2.684 1.971 1.937 2.100 . 0 0 "[ . 1]" 1
1027 2 22 LEU QB 2 24 SER H 3.050 . 3.925 3.112 2.881 3.254 . 0 0 "[ . 1]" 1
1028 2 22 LEU QB 2 24 SER QB 3.520 . 4.724 3.383 2.952 4.217 . 0 0 "[ . 1]" 1
1029 2 22 LEU MD1 2 24 SER H 3.590 . 4.843 3.751 2.141 4.047 . 0 0 "[ . 1]" 1
1030 2 22 LEU MD1 2 24 SER HB2 4.080 . 5.676 3.553 2.768 4.132 . 0 0 "[ . 1]" 1
1031 2 22 LEU MD1 2 24 SER HB3 4.080 . 5.676 3.771 2.126 4.751 . 0 0 "[ . 1]" 1
1032 2 22 LEU MD2 2 24 SER H 3.590 . 4.843 2.957 2.569 3.856 . 0 0 "[ . 1]" 1
1033 2 22 LEU MD2 2 24 SER HB2 4.080 . 5.676 4.045 3.442 4.881 . 0 0 "[ . 1]" 1
1034 2 22 LEU MD2 2 24 SER HB3 4.080 . 5.676 4.442 3.313 5.136 . 0 0 "[ . 1]" 1
1035 2 22 LEU QD 2 23 LEU H 4.805 . 6.909 2.444 2.118 2.696 . 0 0 "[ . 1]" 1
1036 2 22 LEU QD 2 24 SER H 3.945 . 5.446 2.719 2.131 3.156 . 0 0 "[ . 1]" 1
1037 2 22 LEU QD 2 24 SER QB 3.220 . 4.214 2.887 2.056 3.483 . 0 0 "[ . 1]" 1
1038 2 23 LEU H 2 23 LEU HB2 2.745 2.396 2.991 2.507 2.323 2.567 0.072 5 0 "[ . 1]" 1
1039 2 23 LEU H 2 23 LEU HB3 2.745 2.309 2.818 2.377 2.275 2.803 0.034 6 0 "[ . 1]" 1
1040 2 23 LEU H 2 24 SER H 2.755 . 3.424 2.679 2.599 2.723 . 0 0 "[ . 1]" 1
1041 2 23 LEU HA 2 23 LEU HG 2.860 . 3.602 3.326 2.805 3.564 . 0 0 "[ . 1]" 1
1042 2 23 LEU HA 2 26 PHE H 3.260 . 4.282 3.568 3.418 3.732 . 0 0 "[ . 1]" 1
1043 2 23 LEU HA 2 26 PHE HB2 3.165 . 4.121 3.250 3.147 3.375 . 0 0 "[ . 1]" 1
1044 2 23 LEU HA 2 26 PHE QB 3.080 . 3.976 3.205 3.105 3.320 . 0 0 "[ . 1]" 1
1045 2 23 LEU HA 2 26 PHE QD 2.635 . 3.220 2.468 2.214 2.820 . 0 0 "[ . 1]" 1
1046 2 23 LEU HA 2 26 PHE QE 3.040 . 3.908 4.038 3.946 4.394 0.486 1 0 "[ . 1]" 1
1047 2 23 LEU HA 3 14 VAL QG 3.440 . 4.588 3.797 3.493 4.208 . 0 0 "[ . 1]" 1
1048 2 23 LEU QB 2 24 SER H 3.870 . 5.319 2.516 2.404 2.616 . 0 0 "[ . 1]" 1
1049 2 23 LEU QB 2 26 PHE H 3.985 . 5.515 4.849 4.710 4.943 . 0 0 "[ . 1]" 1
1050 2 23 LEU QB 3 26 PHE QD 5.440 . 7.988 3.663 3.321 3.967 . 0 0 "[ . 1]" 1
1051 2 23 LEU HG 2 24 SER HA 3.000 . 3.840 3.764 3.274 6.001 2.161 5 1 "[ + 1]" 1
1052 2 23 LEU HG 3 26 PHE QB 3.155 . 4.103 2.871 2.190 4.168 0.064 5 0 "[ . 1]" 1
1053 2 23 LEU MD1 2 26 PHE HB2 4.305 . 6.058 2.669 2.203 4.719 . 0 0 "[ . 1]" 1
1054 2 23 LEU MD1 2 26 PHE HB3 4.305 . 6.058 3.837 3.448 5.705 . 0 0 "[ . 1]" 1
1055 2 23 LEU MD1 3 14 VAL MG1 4.090 . 5.693 2.779 1.832 3.969 . 0 0 "[ . 1]" 1
1056 2 23 LEU MD1 3 14 VAL MG2 4.090 . 5.693 3.267 2.030 3.696 . 0 0 "[ . 1]" 1
1057 2 23 LEU MD1 3 26 PHE QD 4.705 . 6.739 3.975 2.512 4.320 . 0 0 "[ . 1]" 1
1058 2 23 LEU MD2 2 26 PHE HB2 4.305 . 6.058 4.708 1.953 5.262 . 0 0 "[ . 1]" 1
1059 2 23 LEU MD2 2 26 PHE HB3 4.305 . 6.058 5.811 3.200 6.363 0.305 3 0 "[ . 1]" 1
1060 2 23 LEU MD2 3 14 VAL MG1 4.090 . 5.693 2.024 1.703 3.410 0.097 1 0 "[ . 1]" 1
1061 2 23 LEU MD2 3 14 VAL MG2 4.090 . 5.693 2.427 1.829 4.347 . 0 0 "[ . 1]" 1
1062 2 23 LEU MD2 3 26 PHE QD 4.705 . 6.739 2.474 1.935 4.065 . 0 0 "[ . 1]" 1
1063 2 23 LEU QD 2 26 PHE H 5.160 . 7.512 3.578 3.061 4.282 . 0 0 "[ . 1]" 1
1064 2 23 LEU QD 2 26 PHE QB 3.465 . 4.630 2.347 1.935 2.950 . 0 0 "[ . 1]" 1
1065 2 23 LEU QD 2 27 LEU QB 3.970 . 5.489 3.957 3.531 4.309 . 0 0 "[ . 1]" 1
1066 2 23 LEU QD 3 14 VAL QG 3.205 . 4.188 1.701 1.592 1.907 0.208 1 0 "[ . 1]" 1
1067 2 23 LEU QD 3 23 LEU HA 3.650 . 4.945 2.777 2.537 3.302 . 0 0 "[ . 1]" 1
1068 2 23 LEU QD 3 26 PHE H 4.840 . 6.968 3.755 3.580 4.004 . 0 0 "[ . 1]" 1
1069 2 23 LEU QD 3 26 PHE HA 3.900 . 5.370 3.906 3.638 4.065 . 0 0 "[ . 1]" 1
1070 2 23 LEU QD 3 26 PHE QB 3.905 . 5.378 1.743 1.676 1.798 0.124 8 0 "[ . 1]" 1
1071 2 23 LEU QD 3 26 PHE QD 3.550 . 4.775 2.304 1.933 2.548 . 0 0 "[ . 1]" 1
1072 2 24 SER H 2 25 THR H 2.860 . 3.602 2.712 2.679 2.840 . 0 0 "[ . 1]" 1
1073 2 24 SER HA 2 27 LEU H 3.005 . 3.849 2.856 2.565 3.304 . 0 0 "[ . 1]" 1
1074 2 24 SER HA 2 27 LEU QD 3.450 . 4.605 2.557 2.183 2.961 . 0 0 "[ . 1]" 1
1075 2 25 THR H 2 25 THR HB 2.755 . 3.424 2.327 2.247 2.404 . 0 0 "[ . 1]" 1
1076 2 25 THR H 2 25 THR MG 3.285 . 4.325 3.719 3.660 3.758 . 0 0 "[ . 1]" 1
1077 2 25 THR H 2 26 PHE H 2.750 . 3.415 2.389 2.352 2.497 . 0 0 "[ . 1]" 1
1078 2 25 THR HA 2 25 THR MG 2.515 . 3.016 2.577 2.461 2.741 . 0 0 "[ . 1]" 1
1079 2 25 THR HB 2 26 PHE H 3.030 . 3.891 3.168 3.116 3.264 . 0 0 "[ . 1]" 1
1080 2 25 THR HB 2 26 PHE QD 2.910 . 3.687 3.015 2.445 3.368 . 0 0 "[ . 1]" 1
1081 2 25 THR HB 2 26 PHE QE 2.915 . 3.695 3.361 2.693 3.693 . 0 0 "[ . 1]" 1
1082 2 25 THR MG 2 26 PHE QD 3.040 . 3.908 3.589 3.341 3.781 . 0 0 "[ . 1]" 1
1083 2 25 THR MG 2 26 PHE QE 2.970 . 3.789 3.452 3.127 3.705 . 0 0 "[ . 1]" 1
1084 2 25 THR MG 2 26 PHE HZ 3.015 . 4.565 4.173 3.937 4.488 . 0 0 "[ . 1]" 1
1085 2 26 PHE H 2 26 PHE HB2 2.960 2.393 2.987 2.390 2.327 2.477 0.066 8 0 "[ . 1]" 1
1086 2 26 PHE H 2 26 PHE HB3 2.960 2.680 3.560 3.607 3.574 3.649 0.089 1 0 "[ . 1]" 1
1087 2 26 PHE H 2 27 LEU H 2.690 . 3.313 2.309 2.224 2.414 . 0 0 "[ . 1]" 1
1088 2 26 PHE HA 2 26 PHE QD 2.605 . 3.168 2.936 2.704 3.168 . 0 0 "[ . 1]" 1
1089 2 26 PHE HB2 2 27 LEU H 3.280 3.104 4.316 3.460 3.286 3.899 . 0 0 "[ . 1]" 1
1090 2 26 PHE HB2 3 23 LEU MD1 4.530 . 6.441 4.906 4.622 5.904 . 0 0 "[ . 1]" 1
1091 2 26 PHE HB2 3 23 LEU MD2 4.530 . 6.441 5.971 4.957 6.477 0.036 3 0 "[ . 1]" 1
1092 2 26 PHE HB2 3 27 LEU MD1 4.455 . 6.813 6.117 5.205 6.868 0.055 3 0 "[ . 1]" 1
1093 2 26 PHE HB2 3 27 LEU MD2 4.455 . 6.813 5.779 4.886 7.089 0.275 6 0 "[ . 1]" 1
1094 2 26 PHE HB3 2 27 LEU H 3.280 3.076 4.316 4.183 4.062 4.385 0.069 1 0 "[ . 1]" 1
1095 2 26 PHE HB3 3 23 LEU MD1 4.530 . 6.441 5.276 4.887 5.836 . 0 0 "[ . 1]" 1
1096 2 26 PHE HB3 3 23 LEU MD2 4.530 . 6.441 6.009 5.334 6.497 0.056 3 0 "[ . 1]" 1
1097 2 26 PHE HB3 3 27 LEU MD1 4.455 . 6.313 5.938 5.081 6.784 0.471 3 0 "[ . 1]" 1
1098 2 26 PHE HB3 3 27 LEU MD2 4.455 . 6.313 5.675 4.889 6.570 0.256 6 0 "[ . 1]" 1
1099 2 26 PHE QB 3 23 LEU QD 3.605 . 4.869 4.240 4.069 4.486 . 0 0 "[ . 1]" 1
1100 2 27 LEU HA 2 27 LEU HG 2.860 . 3.602 3.181 2.618 3.501 . 0 0 "[ . 1]" 1
1101 2 27 LEU HG 3 26 PHE QB 3.645 . 4.937 3.987 3.808 4.359 . 0 0 "[ . 1]" 1
1102 2 27 LEU MD1 3 26 PHE HA 2.925 . 4.713 3.668 3.073 5.308 0.595 7 1 "[ . + 1]" 1
1103 2 27 LEU MD1 3 26 PHE HB2 3.555 . 3.574 3.192 2.830 3.802 0.227 7 0 "[ . 1]" 1
1104 2 27 LEU MD1 3 26 PHE HB3 3.555 . 3.993 2.206 1.736 3.552 0.064 8 0 "[ . 1]" 1
1105 2 27 LEU MD1 3 27 LEU HA 2.940 . 3.738 3.392 3.101 3.753 0.015 7 0 "[ . 1]" 1
1106 2 27 LEU MD2 3 26 PHE HA 2.925 . 4.713 4.239 2.928 4.861 0.148 8 0 "[ . 1]" 1
1107 2 27 LEU MD2 3 26 PHE HB2 3.555 . 4.784 3.442 2.696 3.865 . 0 0 "[ . 1]" 1
1108 2 27 LEU MD2 3 26 PHE HB3 . . 3.050 2.705 1.743 3.132 0.082 8 0 "[ . 1]" 1
1109 2 27 LEU MD2 3 27 LEU HA 2.940 . 3.738 3.330 2.467 3.740 0.002 5 0 "[ . 1]" 1
1110 2 27 LEU QD 3 26 PHE QB 2.825 . 3.543 1.740 1.710 1.773 0.090 8 0 "[ . 1]" 1
1111 2 27 LEU QD 3 27 LEU H 4.075 . 5.668 3.880 3.774 4.054 . 0 0 "[ . 1]" 1
1112 2 27 LEU QD 3 27 LEU HA 2.530 . 3.041 2.949 2.427 3.120 0.079 5 0 "[ . 1]" 1
1113 3 1 GLY QA 3 2 TYR HA 3.070 . 3.959 3.994 3.969 4.043 0.084 1 0 "[ . 1]" 1
1114 3 1 GLY QA 3 2 TYR QD 3.580 . 4.826 3.013 2.704 3.412 . 0 0 "[ . 1]" 1
1115 3 2 TYR HA 3 3 ILE H 2.660 . 3.262 2.324 2.226 2.456 . 0 0 "[ . 1]" 1
1116 3 2 TYR HA 3 3 ILE HG12 3.125 . 4.052 3.756 3.628 3.909 . 0 0 "[ . 1]" 1
1117 3 2 TYR HA 3 3 ILE HG13 3.125 . 5.052 4.932 4.709 5.065 0.012 4 0 "[ . 1]" 1
1118 3 2 TYR HA 3 3 ILE QG 3.050 . 3.925 3.645 3.541 3.783 . 0 0 "[ . 1]" 1
1119 3 2 TYR QB 3 3 ILE HA 3.005 . 4.848 4.344 4.243 4.431 . 0 0 "[ . 1]" 1
1120 3 3 ILE H 3 3 ILE HB 2.895 . 3.661 3.607 3.581 3.623 . 0 0 "[ . 1]" 1
1121 3 3 ILE H 3 3 ILE HG12 2.780 . 3.466 1.835 1.776 1.942 0.024 4 0 "[ . 1]" 1
1122 3 3 ILE H 3 3 ILE HG13 2.780 . 3.466 2.677 2.522 2.785 . 0 0 "[ . 1]" 1
1123 3 3 ILE HA 3 3 ILE MG 2.535 . 3.049 2.165 2.087 2.248 . 0 0 "[ . 1]" 1
1124 3 3 ILE HA 3 3 ILE HG12 2.955 . 3.763 3.598 3.548 3.653 . 0 0 "[ . 1]" 1
1125 3 3 ILE HA 3 3 ILE HG13 2.955 . 3.763 3.774 3.728 3.823 0.059 8 0 "[ . 1]" 1
1126 3 3 ILE HA 3 4 PRO QG 3.480 . 4.656 3.784 3.711 4.006 . 0 0 "[ . 1]" 1
1127 3 3 ILE HA 3 4 PRO HD2 2.515 . 3.016 3.022 2.870 3.097 0.081 5 0 "[ . 1]" 1
1128 3 3 ILE HA 3 4 PRO HD3 2.515 . 3.016 1.937 1.904 2.091 . 0 0 "[ . 1]" 1
1129 3 3 ILE HA 3 4 PRO QD 2.420 . 2.854 1.915 1.885 2.043 . 0 0 "[ . 1]" 1
1130 3 3 ILE HB 3 3 ILE MD 2.530 . 3.041 2.397 2.317 2.476 . 0 0 "[ . 1]" 1
1131 3 3 ILE HB 3 4 PRO HA 3.200 . 4.180 4.375 4.315 4.539 0.359 10 0 "[ . 1]" 1
1132 3 3 ILE HB 3 4 PRO HD2 2.810 . 3.517 2.238 2.017 2.500 . 0 0 "[ . 1]" 1
1133 3 3 ILE HB 3 4 PRO HD3 2.810 . 3.517 2.934 2.811 3.192 . 0 0 "[ . 1]" 1
1134 3 3 ILE HB 3 4 PRO QD 2.695 . 3.322 2.170 1.990 2.415 . 0 0 "[ . 1]" 1
1135 3 3 ILE HB 3 20 TRP HZ2 3.055 . 3.934 3.268 2.984 3.778 . 0 0 "[ . 1]" 1
1136 3 3 ILE HG12 3 3 ILE MG 2.585 . 3.135 2.430 2.278 2.601 . 0 0 "[ . 1]" 1
1137 3 3 ILE HG13 3 3 ILE MG 2.585 . 3.135 3.153 3.139 3.165 0.030 4 0 "[ . 1]" 1
1138 3 3 ILE QG 3 3 ILE MG 2.495 . 2.981 2.353 2.228 2.487 . 0 0 "[ . 1]" 1
1139 3 3 ILE MG 3 4 PRO HD2 2.815 . 3.526 2.961 2.602 3.176 . 0 0 "[ . 1]" 1
1140 3 3 ILE MG 3 4 PRO HD3 2.815 . 3.526 2.982 2.822 3.180 . 0 0 "[ . 1]" 1
1141 3 3 ILE MG 3 4 PRO QD 2.705 . 3.339 2.642 2.453 2.831 . 0 0 "[ . 1]" 1
1142 3 3 ILE MG 3 15 ARG HD3 2.675 . 3.287 3.159 1.992 3.805 0.517 4 1 "[ +. 1]" 1
1143 3 3 ILE MD 3 3 ILE MG 2.500 . 2.990 1.858 1.767 1.981 0.033 8 0 "[ . 1]" 1
1144 3 3 ILE HG12 3 4 PRO HD2 3.275 . 5.307 5.143 4.914 5.333 0.026 10 0 "[ . 1]" 1
1145 3 3 ILE HG12 3 4 PRO HD3 3.275 . 5.307 5.154 5.078 5.301 . 0 0 "[ . 1]" 1
1146 2 20 TRP HZ2 3 3 ILE HG12 3.040 . 3.908 3.129 2.852 3.478 . 0 0 "[ . 1]" 1
1147 3 3 ILE HG13 3 4 PRO HD2 3.275 . 5.307 4.420 4.227 4.684 . 0 0 "[ . 1]" 1
1148 3 3 ILE HG13 3 4 PRO HD3 3.275 . 5.307 4.845 4.716 4.985 . 0 0 "[ . 1]" 1
1149 3 3 ILE HG13 3 20 TRP HE1 3.330 . 4.401 4.601 4.456 5.225 0.824 10 1 "[ . +]" 1
1150 2 20 TRP HZ2 3 3 ILE HG13 3.040 . 3.908 3.856 3.747 3.954 0.046 4 0 "[ . 1]" 1
1151 3 3 ILE QG 3 4 PRO QD 3.145 . 4.087 3.823 3.720 3.987 . 0 0 "[ . 1]" 1
1152 3 3 ILE QG 3 20 TRP HE1 3.680 . 4.996 4.466 4.334 5.027 0.031 10 0 "[ . 1]" 1
1153 3 3 ILE QG 3 20 TRP HZ2 2.920 . 3.704 3.016 2.795 3.254 . 0 0 "[ . 1]" 1
1154 3 3 ILE MD 3 20 TRP HE1 3.305 . 4.359 3.911 3.559 4.248 . 0 0 "[ . 1]" 1
1155 3 3 ILE MD 3 20 TRP HZ2 3.170 . 4.129 1.924 1.781 2.435 0.019 2 0 "[ . 1]" 1
1156 3 4 PRO HA 3 5 GLU H 2.645 . 3.237 2.141 2.082 2.210 . 0 0 "[ . 1]" 1
1157 3 4 PRO QG 3 20 TRP HD1 3.710 . 5.047 4.588 4.182 4.874 . 0 0 "[ . 1]" 1
1158 3 4 PRO QG 3 20 TRP HE1 3.920 . 5.404 4.248 3.969 4.451 . 0 0 "[ . 1]" 1
1159 3 4 PRO HD2 3 15 ARG HG2 4.015 . 5.565 5.376 5.079 5.553 . 0 0 "[ . 1]" 1
1160 3 4 PRO HD2 3 15 ARG HG3 4.015 . 5.565 5.537 5.169 5.671 0.106 8 0 "[ . 1]" 1
1161 3 5 GLU H 3 5 GLU HB2 2.690 2.312 2.825 2.620 2.520 2.700 . 0 0 "[ . 1]" 1
1162 3 5 GLU H 3 5 GLU HB3 2.690 2.320 2.840 2.347 2.279 2.409 0.040 8 0 "[ . 1]" 1
1163 3 5 GLU H 3 5 GLU HG2 3.320 . 4.384 4.421 4.329 4.455 0.071 7 0 "[ . 1]" 1
1164 3 5 GLU H 3 5 GLU HG3 3.320 . 4.384 4.367 4.334 4.392 0.008 8 0 "[ . 1]" 1
1165 3 5 GLU H 3 5 GLU QG 3.650 . 4.945 3.914 3.884 3.931 . 0 0 "[ . 1]" 1
1166 3 5 GLU HA 3 5 GLU HG2 2.980 . 3.806 3.809 3.598 3.916 0.110 5 0 "[ . 1]" 1
1167 3 5 GLU HA 3 5 GLU HG3 2.980 . 3.806 2.753 2.513 2.915 . 0 0 "[ . 1]" 1
1168 3 5 GLU HA 3 5 GLU QG 2.895 . 3.661 2.692 2.467 2.840 . 0 0 "[ . 1]" 1
1169 3 5 GLU HA 3 6 ALA H 2.655 . 3.253 2.155 2.094 2.196 . 0 0 "[ . 1]" 1
1170 3 5 GLU HA 3 20 TRP HE1 3.205 . 4.188 3.116 2.695 3.350 . 0 0 "[ . 1]" 1
1171 3 5 GLU HG2 3 6 ALA H 3.080 . 3.976 3.772 3.388 3.996 0.020 4 0 "[ . 1]" 1
1172 3 5 GLU HG3 3 6 ALA H 3.080 . 3.976 2.176 2.081 2.342 . 0 0 "[ . 1]" 1
1173 3 5 GLU HG3 3 6 ALA MB 2.960 . 3.772 3.668 3.519 3.760 . 0 0 "[ . 1]" 1
1174 3 5 GLU QG 3 6 ALA H 3.375 . 4.477 2.163 2.071 2.326 . 0 0 "[ . 1]" 1
1175 3 5 GLU QG 3 7 PRO HA 3.655 . 4.953 4.542 4.416 4.627 . 0 0 "[ . 1]" 1
1176 3 5 GLU QG 3 8 ARG QD 3.250 . 4.265 3.527 2.765 5.308 1.043 8 1 "[ . + 1]" 1
1177 3 6 ALA HA 3 7 PRO QG 3.120 . 4.044 3.912 3.842 3.954 . 0 0 "[ . 1]" 1
1178 3 6 ALA HA 3 7 PRO HD2 2.715 . 3.355 2.891 2.711 3.104 . 0 0 "[ . 1]" 1
1179 3 6 ALA HA 3 7 PRO HD3 2.715 . 3.355 2.075 2.004 2.115 . 0 0 "[ . 1]" 1
1180 3 6 ALA HA 3 7 PRO QD 2.595 . 3.151 2.030 1.972 2.081 . 0 0 "[ . 1]" 1
1181 3 6 ALA HA 3 20 TRP QB 3.550 . 4.775 3.186 2.976 3.392 . 0 0 "[ . 1]" 1
1182 3 6 ALA HA 3 20 TRP HD1 2.870 . 3.619 2.122 1.986 2.443 . 0 0 "[ . 1]" 1
1183 3 6 ALA HA 3 20 TRP HE1 2.960 . 3.772 3.473 3.107 3.601 . 0 0 "[ . 1]" 1
1184 3 6 ALA MB 3 7 PRO HD2 2.700 . 3.330 2.080 1.895 2.305 . 0 0 "[ . 1]" 1
1185 3 6 ALA MB 3 7 PRO HD3 2.700 . 3.330 2.798 2.596 3.015 . 0 0 "[ . 1]" 1
1186 3 6 ALA MB 3 7 PRO QD 2.565 . 3.101 2.026 1.851 2.235 . 0 0 "[ . 1]" 1
1187 3 6 ALA MB 3 13 TYR HB2 2.920 . 3.100 2.653 2.497 2.892 . 0 0 "[ . 1]" 1
1188 3 6 ALA MB 3 13 TYR HB3 2.920 . 3.704 3.269 2.975 3.586 . 0 0 "[ . 1]" 1
1189 3 6 ALA MB 3 13 TYR QB 2.760 . 3.432 2.543 2.375 2.777 . 0 0 "[ . 1]" 1
1190 3 6 ALA MB 3 13 TYR HD2 3.015 . 3.865 2.303 2.112 2.502 . 0 0 "[ . 1]" 1
1191 3 6 ALA MB 3 13 TYR HE2 3.160 . 4.112 3.517 3.319 3.691 . 0 0 "[ . 1]" 1
1192 3 6 ALA MB 3 20 TRP HB2 3.110 . 4.027 2.841 2.505 3.090 . 0 0 "[ . 1]" 1
1193 3 6 ALA MB 3 20 TRP HB3 3.110 . 4.027 2.414 2.139 2.609 . 0 0 "[ . 1]" 1
1194 3 6 ALA MB 3 20 TRP QB 2.620 . 3.194 2.288 2.025 2.460 . 0 0 "[ . 1]" 1
1195 3 6 ALA MB 3 20 TRP HD1 2.825 . 3.543 2.884 2.773 3.083 . 0 0 "[ . 1]" 1
1196 3 6 ALA MB 3 20 TRP HE3 2.975 . 3.797 3.567 3.464 3.685 . 0 0 "[ . 1]" 1
1197 3 7 PRO HB2 3 13 TYR HE2 3.120 . 4.044 2.241 2.073 2.476 . 0 0 "[ . 1]" 1
1198 3 7 PRO HB3 3 13 TYR HE2 3.120 . 4.044 3.942 3.780 4.082 0.038 2 0 "[ . 1]" 1
1199 3 7 PRO QB 3 13 TYR HE2 3.010 . 3.857 2.228 2.064 2.455 . 0 0 "[ . 1]" 1
1200 3 7 PRO QG 3 13 TYR HE2 3.095 . 4.002 2.918 2.479 3.282 . 0 0 "[ . 1]" 1
1201 3 7 PRO QG 3 13 TYR HE1 3.015 . 3.865 3.937 3.680 4.430 0.564 8 1 "[ . + 1]" 1
1202 3 7 PRO QD 3 9 ASP QB 4.080 . 6.376 6.300 5.876 6.486 0.110 6 0 "[ . 1]" 1
1203 3 7 PRO QD 3 20 TRP HD1 3.425 . 4.563 3.057 2.813 3.313 . 0 0 "[ . 1]" 1
1204 3 8 ARG HA 3 8 ARG HG2 2.770 . 3.449 3.075 2.199 3.526 0.077 1 0 "[ . 1]" 1
1205 3 8 ARG HA 3 8 ARG HG3 2.770 . 3.449 2.706 2.136 4.062 0.613 10 1 "[ . +]" 1
1206 3 8 ARG HA 3 8 ARG QG 2.645 . 3.237 2.306 2.117 3.189 . 0 0 "[ . 1]" 1
1207 3 8 ARG HA 3 8 ARG QD 2.905 . 3.678 3.354 2.721 3.769 0.090 10 0 "[ . 1]" 1
1208 3 8 ARG HA 3 9 ASP H 2.650 . 3.245 2.478 2.285 2.662 . 0 0 "[ . 1]" 1
1209 3 8 ARG HA 3 10 GLY H 3.040 . 3.908 3.114 3.030 3.252 . 0 0 "[ . 1]" 1
1210 3 8 ARG HB2 3 9 ASP H 3.320 3.161 4.384 4.416 4.288 4.504 0.120 3 0 "[ . 1]" 1
1211 3 8 ARG HB3 3 9 ASP H 3.320 3.015 4.230 4.268 4.085 4.527 0.297 10 0 "[ . 1]" 1
1212 3 8 ARG QB 3 8 ARG QD 2.735 . 3.389 2.193 1.876 2.714 . 0 0 "[ . 1]" 1
1213 3 8 ARG QB 3 9 ASP HA 3.650 . 4.945 4.289 4.206 4.432 . 0 0 "[ . 1]" 1
1214 3 9 ASP H 3 10 GLY H 2.535 . 3.049 2.413 2.067 2.599 . 0 0 "[ . 1]" 1
1215 3 9 ASP HA 3 10 GLY QA 3.705 . 5.038 4.099 4.043 4.145 . 0 0 "[ . 1]" 1
1216 3 9 ASP HB2 3 10 GLY H 3.385 . 4.495 4.322 3.893 4.420 . 0 0 "[ . 1]" 1
1217 3 9 ASP HB3 3 10 GLY H 3.385 . 4.495 4.540 4.434 4.633 0.138 5 0 "[ . 1]" 1
1218 3 10 GLY H 3 11 GLN H 2.850 . 3.585 2.526 2.472 2.620 . 0 0 "[ . 1]" 1
1219 3 11 GLN H 3 11 GLN QG 3.820 . 5.234 3.343 2.502 3.840 . 0 0 "[ . 1]" 1
1220 3 11 GLN H 3 12 ALA H 3.110 . 5.027 4.469 4.435 4.504 . 0 0 "[ . 1]" 1
1221 3 11 GLN H 3 13 TYR HE2 3.230 . 4.231 4.193 3.849 4.340 0.109 6 0 "[ . 1]" 1
1222 3 11 GLN HA 3 11 GLN HG2 2.865 . 3.611 2.820 2.435 3.543 . 0 0 "[ . 1]" 1
1223 3 11 GLN HA 3 11 GLN HG3 2.865 . 3.611 3.364 2.443 3.619 0.009 6 0 "[ . 1]" 1
1224 3 11 GLN HA 3 11 GLN QG 2.755 . 3.424 2.626 2.281 2.983 . 0 0 "[ . 1]" 1
1225 3 11 GLN HA 3 12 ALA H 2.550 . 3.075 2.237 2.175 2.285 . 0 0 "[ . 1]" 1
1226 3 11 GLN HA 3 22 LEU QD 3.825 . 5.242 3.410 3.101 3.662 . 0 0 "[ . 1]" 1
1227 3 11 GLN QB 3 12 ALA H 2.965 2.690 3.423 2.791 2.567 3.065 0.123 9 0 "[ . 1]" 1
1228 3 11 GLN QB 3 13 TYR HE2 3.055 . 3.934 3.322 2.500 3.849 . 0 0 "[ . 1]" 1
1229 3 11 GLN QB 3 22 LEU MD1 3.840 . 4.124 3.165 2.746 3.414 . 0 0 "[ . 1]" 1
1230 3 11 GLN QB 3 22 LEU MD2 . . 2.755 1.740 1.705 1.792 0.095 4 0 "[ . 1]" 1
1231 3 11 GLN QB 3 13 TYR HE1 3.465 . 4.630 4.629 4.428 4.750 0.120 2 0 "[ . 1]" 1
1232 3 11 GLN QB 3 22 LEU QD 2.870 . 3.619 1.730 1.700 1.770 0.100 4 0 "[ . 1]" 1
1233 3 11 GLN HG2 3 22 LEU MD1 3.885 . 5.345 3.681 3.089 4.240 . 0 0 "[ . 1]" 1
1234 3 11 GLN HG2 3 22 LEU MD2 3.885 . 5.345 3.276 2.173 3.951 . 0 0 "[ . 1]" 1
1235 3 11 GLN HG3 3 22 LEU MD1 3.885 . 5.345 3.175 1.958 4.808 . 0 0 "[ . 1]" 1
1236 3 11 GLN HG3 3 22 LEU MD2 3.885 . 5.345 2.805 1.818 4.280 . 0 0 "[ . 1]" 1
1237 3 11 GLN QG 3 22 LEU QD 3.010 . 3.857 2.297 1.669 3.356 0.131 8 0 "[ . 1]" 1
1238 3 11 GLN HE21 3 22 LEU MD1 3.755 3.033 4.266 3.963 3.326 4.449 0.184 2 0 "[ . 1]" 1
1239 3 11 GLN HE21 3 22 LEU MD2 3.755 2.945 4.090 3.726 2.818 4.235 0.145 9 0 "[ . 1]" 1
1240 3 11 GLN HE22 3 22 LEU MD1 3.755 3.056 4.311 3.797 2.979 4.484 0.173 8 0 "[ . 1]" 1
1241 3 11 GLN HE22 3 22 LEU MD2 3.755 3.018 4.236 3.960 3.267 4.254 0.018 1 0 "[ . 1]" 1
1242 3 11 GLN QE 3 22 LEU QD 4.530 . 6.441 2.912 2.631 3.343 . 0 0 "[ . 1]" 1
1243 3 12 ALA H 3 13 TYR H 3.315 . 4.376 4.464 4.431 4.505 0.130 1 0 "[ . 1]" 1
1244 3 12 ALA H 3 22 LEU QD 5.000 . 7.240 2.824 2.451 3.158 . 0 0 "[ . 1]" 1
1245 3 12 ALA HA 3 13 TYR H 2.600 . 3.160 2.081 2.036 2.130 . 0 0 "[ . 1]" 1
1246 3 12 ALA HA 3 13 TYR QB 3.095 . 4.002 4.135 4.104 4.206 0.204 1 0 "[ . 1]" 1
1247 3 12 ALA HA 3 13 TYR HD2 3.195 . 4.172 3.955 3.727 4.161 . 0 0 "[ . 1]" 1
1248 3 12 ALA HA 3 22 LEU QD 4.010 . 5.557 4.118 3.882 4.423 . 0 0 "[ . 1]" 1
1249 3 12 ALA MB 3 23 LEU H 3.825 . 5.242 3.243 3.065 3.549 . 0 0 "[ . 1]" 1
1250 3 12 ALA MB 3 23 LEU HB2 2.805 . 3.509 2.441 2.165 2.615 . 0 0 "[ . 1]" 1
1251 3 12 ALA MB 3 23 LEU HB3 2.805 . 3.274 2.260 2.031 2.813 . 0 0 "[ . 1]" 1
1252 3 12 ALA MB 3 23 LEU QB 2.590 . 3.143 2.071 1.900 2.364 . 0 0 "[ . 1]" 1
1253 3 13 TYR H 3 13 TYR HD2 3.005 . 3.849 3.242 3.139 3.351 . 0 0 "[ . 1]" 1
1254 3 13 TYR H 3 14 VAL QG 5.075 . 7.367 4.439 4.000 4.956 . 0 0 "[ . 1]" 1
1255 3 13 TYR HA 3 13 TYR HD2 3.075 . 3.967 4.106 4.016 4.321 0.354 9 0 "[ . 1]" 1
1256 3 13 TYR HA 3 13 TYR HE1 3.240 . 4.248 4.502 4.402 4.727 0.479 9 0 "[ . 1]" 1
1257 3 13 TYR HA 3 13 TYR HD1 2.935 . 3.730 2.551 2.443 2.746 . 0 0 "[ . 1]" 1
1258 3 13 TYR HA 3 14 VAL H 2.595 . 3.151 2.180 2.083 2.264 . 0 0 "[ . 1]" 1
1259 3 13 TYR HA 3 14 VAL HB 3.220 . 4.640 4.823 4.607 5.286 0.646 2 1 "[ + . 1]" 1
1260 3 13 TYR HA 3 14 VAL QG 3.595 . 4.852 2.786 2.526 3.180 . 0 0 "[ . 1]" 1
1261 3 13 TYR HA 3 20 TRP HA 3.250 . 5.265 4.893 4.716 5.085 . 0 0 "[ . 1]" 1
1262 3 13 TYR HA 3 22 LEU HA 2.675 . 3.287 2.587 2.463 2.702 . 0 0 "[ . 1]" 1
1263 3 13 TYR HA 3 22 LEU QB 3.010 . 4.557 4.671 4.592 4.761 0.204 7 0 "[ . 1]" 1
1264 3 13 TYR HA 3 22 LEU QD 3.765 . 5.141 3.323 3.160 3.571 . 0 0 "[ . 1]" 1
1265 3 13 TYR HA 3 23 LEU H 2.785 . 3.474 2.744 2.525 2.975 . 0 0 "[ . 1]" 1
1266 3 13 TYR HB2 3 14 VAL H 3.150 2.931 4.061 3.769 3.605 3.826 . 0 0 "[ . 1]" 1
1267 3 13 TYR HB2 3 20 TRP HA 3.185 . 4.155 4.284 4.225 4.517 0.362 3 0 "[ . 1]" 1
1268 3 13 TYR HB2 3 20 TRP HB2 4.040 . 4.836 4.357 4.248 4.457 . 0 0 "[ . 1]" 1
1269 3 13 TYR HB2 3 20 TRP HB3 4.040 . 4.836 2.709 2.606 2.855 . 0 0 "[ . 1]" 1
1270 3 13 TYR HB2 3 20 TRP QB 2.950 . 3.755 2.683 2.584 2.824 . 0 0 "[ . 1]" 1
1271 3 13 TYR HB2 3 20 TRP HE3 3.240 . 4.248 2.804 2.708 2.977 . 0 0 "[ . 1]" 1
1272 3 13 TYR HB2 3 20 TRP HZ3 3.190 . 4.163 4.226 4.137 4.298 0.135 8 0 "[ . 1]" 1
1273 3 13 TYR HB2 3 21 VAL H 3.390 3.188 4.503 4.697 4.578 4.794 0.291 9 0 "[ . 1]" 1
1274 3 13 TYR HB3 3 14 VAL H 3.150 2.617 3.434 2.547 2.425 2.632 0.192 9 0 "[ . 1]" 1
1275 3 13 TYR HB3 3 20 TRP HA 3.185 . 4.155 2.830 2.741 3.022 . 0 0 "[ . 1]" 1
1276 3 13 TYR HB3 3 20 TRP HB2 4.040 . 5.608 3.614 3.528 3.728 . 0 0 "[ . 1]" 1
1277 3 13 TYR HB3 3 20 TRP HB3 4.040 . 5.608 1.894 1.812 2.013 . 0 0 "[ . 1]" 1
1278 3 13 TYR HB3 3 20 TRP QB 2.950 . 3.638 1.887 1.807 2.005 . 0 0 "[ . 1]" 1
1279 3 13 TYR HB3 3 20 TRP HE3 . . 3.178 1.911 1.803 2.078 . 0 0 "[ . 1]" 1
1280 3 13 TYR HB3 3 20 TRP HZ3 3.190 . 4.163 4.057 3.873 4.216 0.053 9 0 "[ . 1]" 1
1281 3 13 TYR HB3 3 21 VAL H 3.390 3.251 4.503 2.989 2.840 3.115 0.411 5 0 "[ . 1]" 1
1282 3 13 TYR QB 3 14 VAL HA 3.740 . 5.098 4.066 3.882 4.181 . 0 0 "[ . 1]" 1
1283 3 13 TYR QB 3 14 VAL HB 3.595 . 4.852 5.026 4.942 5.178 0.327 9 0 "[ . 1]" 1
1284 3 13 TYR QB 3 20 TRP HA 3.095 . 4.002 2.792 2.711 2.979 . 0 0 "[ . 1]" 1
1285 3 13 TYR QB 3 20 TRP QB 2.845 . 3.576 1.851 1.774 1.950 0.026 1 0 "[ . 1]" 1
1286 3 13 TYR QB 3 20 TRP HE3 3.150 . 4.095 1.880 1.778 2.028 0.022 5 0 "[ . 1]" 1
1287 3 13 TYR QB 3 21 VAL HA 3.640 . 4.928 4.544 4.439 4.709 . 0 0 "[ . 1]" 1
1288 3 13 TYR QB 3 22 LEU QD 4.385 . 6.194 4.327 4.233 4.471 . 0 0 "[ . 1]" 1
1289 3 13 TYR HD2 3 22 LEU QD 5.310 . 7.767 4.295 4.127 4.742 . 0 0 "[ . 1]" 1
1290 3 13 TYR HE1 3 20 TRP QB 3.650 . 4.945 3.918 3.766 4.031 . 0 0 "[ . 1]" 1
1291 3 13 TYR HE1 3 21 VAL HA 3.460 . 4.622 3.449 3.135 4.040 . 0 0 "[ . 1]" 1
1292 3 13 TYR HE1 3 22 LEU H 3.195 . 4.172 3.025 2.795 3.614 . 0 0 "[ . 1]" 1
1293 3 13 TYR HE1 3 22 LEU HG 2.955 . 3.763 2.749 2.566 3.008 . 0 0 "[ . 1]" 1
1294 3 13 TYR HE1 3 22 LEU MD1 3.960 . 5.472 4.276 4.157 4.511 . 0 0 "[ . 1]" 1
1295 3 13 TYR HE1 3 22 LEU MD2 3.960 . 5.472 3.309 2.806 3.690 . 0 0 "[ . 1]" 1
1296 3 13 TYR HE1 3 22 LEU QD 3.560 . 4.792 3.195 2.774 3.504 . 0 0 "[ . 1]" 1
1297 3 13 TYR HD1 3 20 TRP HA 3.130 . 4.061 3.819 3.601 4.052 . 0 0 "[ . 1]" 1
1298 3 13 TYR HD1 3 20 TRP HB2 2.955 . 3.763 3.851 3.783 3.949 0.185 2 0 "[ . 1]" 1
1299 3 13 TYR HD1 3 20 TRP HB3 2.955 . 3.763 2.810 2.692 2.950 . 0 0 "[ . 1]" 1
1300 3 13 TYR HD1 3 20 TRP QB 3.990 . 5.523 2.745 2.641 2.872 . 0 0 "[ . 1]" 1
1301 3 13 TYR HD1 3 21 VAL H 3.170 . 4.129 3.037 2.804 3.514 . 0 0 "[ . 1]" 1
1302 3 13 TYR HD1 3 21 VAL HA 3.285 . 4.325 2.755 2.601 2.995 . 0 0 "[ . 1]" 1
1303 3 13 TYR HD1 3 22 LEU QB 3.835 . 5.260 4.237 4.120 4.338 . 0 0 "[ . 1]" 1
1304 3 13 TYR HD1 3 22 LEU QD 3.885 . 5.345 3.556 3.236 3.845 . 0 0 "[ . 1]" 1
1305 3 14 VAL H 3 20 TRP HA 3.240 . 4.248 3.743 3.554 3.966 . 0 0 "[ . 1]" 1
1306 3 14 VAL H 3 20 TRP HE3 3.110 . 4.027 3.039 2.797 3.227 . 0 0 "[ . 1]" 1
1307 3 14 VAL H 3 21 VAL H 2.940 . 3.738 2.423 2.253 2.525 . 0 0 "[ . 1]" 1
1308 3 14 VAL H 3 21 VAL QG 4.720 . 6.764 3.196 2.414 3.884 . 0 0 "[ . 1]" 1
1309 3 14 VAL H 3 22 LEU HA 3.295 . 4.341 4.070 3.948 4.166 . 0 0 "[ . 1]" 1
1310 3 14 VAL H 3 23 LEU H 3.125 . 4.052 4.108 4.054 4.240 0.187 8 0 "[ . 1]" 1
1311 3 14 VAL HA 3 14 VAL MG1 2.745 . 3.407 2.413 2.086 3.168 . 0 0 "[ . 1]" 1
1312 3 14 VAL HA 3 14 VAL MG2 2.745 . 3.407 2.742 2.506 2.982 . 0 0 "[ . 1]" 1
1313 3 14 VAL HA 3 14 VAL QG 2.420 . 2.854 2.208 2.031 2.557 . 0 0 "[ . 1]" 1
1314 3 14 VAL HA 3 15 ARG H 2.715 . 3.355 2.345 2.178 2.414 . 0 0 "[ . 1]" 1
1315 3 14 VAL HA 3 15 ARG HB2 3.270 . 4.299 4.023 3.882 4.158 . 0 0 "[ . 1]" 1
1316 3 14 VAL HA 3 15 ARG QB 3.200 . 4.180 3.894 3.779 4.003 . 0 0 "[ . 1]" 1
1317 3 14 VAL HA 3 20 TRP HZ3 3.230 . 4.231 3.035 2.652 3.456 . 0 0 "[ . 1]" 1
1318 3 14 VAL HB 3 15 ARG H 2.615 . 3.430 3.465 3.009 4.008 0.578 6 1 "[ .+ 1]" 1
1319 3 14 VAL HB 3 23 LEU QD 3.915 . 5.396 4.455 2.839 5.142 . 0 0 "[ . 1]" 1
1320 3 14 VAL MG1 3 15 ARG H 3.450 . 4.605 2.884 2.270 3.978 . 0 0 "[ . 1]" 1
1321 3 14 VAL MG2 3 15 ARG H 3.450 . 4.605 3.806 1.912 4.320 . 0 0 "[ . 1]" 1
1322 3 14 VAL MG2 3 26 PHE QD 2.950 . 3.755 2.965 2.196 3.995 0.240 3 0 "[ . 1]" 1
1323 3 14 VAL MG2 3 26 PHE QE 3.010 . 3.857 3.026 2.017 3.905 0.048 6 0 "[ . 1]" 1
1324 3 14 VAL QG 3 15 ARG H 3.765 . 5.141 2.477 1.907 2.857 . 0 0 "[ . 1]" 1
1325 3 14 VAL QG 3 16 LYS QB 3.970 . 5.489 3.588 2.789 3.982 . 0 0 "[ . 1]" 1
1326 3 14 VAL QG 3 16 LYS QE 5.270 . 7.699 5.504 4.887 5.872 . 0 0 "[ . 1]" 1
1327 3 14 VAL QG 3 20 TRP HA 4.025 . 5.582 4.658 4.255 5.013 . 0 0 "[ . 1]" 1
1328 3 14 VAL QG 3 21 VAL H 4.960 . 7.172 3.356 2.965 3.966 . 0 0 "[ . 1]" 1
1329 3 14 VAL QG 3 21 VAL HB 3.565 . 4.800 3.169 1.786 4.623 0.014 2 0 "[ . 1]" 1
1330 3 14 VAL QG 3 23 LEU H 4.815 . 6.925 3.076 2.854 3.438 . 0 0 "[ . 1]" 1
1331 3 14 VAL QG 3 23 LEU QD 4.135 . 5.769 2.536 2.087 3.189 . 0 0 "[ . 1]" 1
1332 3 14 VAL QG 3 26 PHE HZ 3.760 . 5.132 3.810 3.220 4.433 . 0 0 "[ . 1]" 1
1333 3 15 ARG HA 3 15 ARG HG2 3.000 . 3.840 3.105 2.887 3.322 . 0 0 "[ . 1]" 1
1334 3 15 ARG HA 3 15 ARG HG3 3.000 . 3.840 3.557 3.476 3.634 . 0 0 "[ . 1]" 1
1335 3 15 ARG HA 3 15 ARG QG 2.885 . 3.645 2.915 2.781 3.023 . 0 0 "[ . 1]" 1
1336 3 15 ARG HA 3 15 ARG HD2 2.650 . 3.245 1.776 1.654 1.851 0.146 3 0 "[ . 1]" 1
1337 3 15 ARG HA 3 15 ARG HD3 2.650 . 3.245 2.693 2.200 3.336 0.091 7 0 "[ . 1]" 1
1338 3 15 ARG HA 3 15 ARG QD 2.550 . 3.075 1.746 1.645 1.788 0.155 3 0 "[ . 1]" 1
1339 3 15 ARG HA 3 16 LYS H 2.590 . 3.143 2.033 2.012 2.057 . 0 0 "[ . 1]" 1
1340 3 15 ARG HA 3 19 GLU H 3.225 . 4.222 4.351 4.259 4.641 0.419 5 0 "[ . 1]" 1
1341 3 15 ARG HA 3 20 TRP HA 2.740 . 3.398 3.123 2.999 3.222 . 0 0 "[ . 1]" 1
1342 3 15 ARG HA 3 20 TRP HE3 3.470 . 4.639 3.240 3.162 3.392 . 0 0 "[ . 1]" 1
1343 3 15 ARG HB2 3 20 TRP HZ3 3.495 . 3.688 2.408 2.279 2.635 . 0 0 "[ . 1]" 1
1344 3 15 ARG HB3 3 20 TRP HZ3 3.495 . 3.905 4.064 3.968 4.287 0.381 10 0 "[ . 1]" 1
1345 3 15 ARG QB 3 20 TRP HE3 3.715 . 5.056 4.019 3.901 4.137 . 0 0 "[ . 1]" 1
1346 3 15 ARG QB 3 20 TRP HZ3 2.830 . 3.551 2.391 2.265 2.612 . 0 0 "[ . 1]" 1
1347 3 15 ARG QB 3 20 TRP HZ2 3.700 . 5.030 4.535 4.252 4.977 . 0 0 "[ . 1]" 1
1348 3 15 ARG QB 3 20 TRP HH2 4.040 . 5.608 2.841 2.586 3.294 . 0 0 "[ . 1]" 1
1349 3 15 ARG QG 3 20 TRP HA 3.365 . 4.460 4.636 4.498 4.899 0.438 4 0 "[ . 1]" 1
1350 3 15 ARG QG 3 20 TRP HH2 4.280 . 6.016 2.225 2.053 2.340 . 0 0 "[ . 1]" 1
1351 3 15 ARG HD2 3 16 LYS H 3.130 . 4.061 2.380 2.140 2.880 . 0 0 "[ . 1]" 1
1352 3 15 ARG HD2 3 20 TRP HA 3.035 . 4.600 3.705 2.996 4.117 . 0 0 "[ . 1]" 1
1353 3 15 ARG HD2 3 20 TRP HZ2 3.175 . 5.137 5.160 4.406 5.452 0.314 10 0 "[ . 1]" 1
1354 3 15 ARG HD2 3 20 TRP HH2 3.055 . 4.933 4.869 4.183 5.062 0.129 10 0 "[ . 1]" 1
1355 3 15 ARG HD3 3 16 LYS H 3.130 . 4.061 3.821 3.634 4.096 0.035 7 0 "[ . 1]" 1
1356 3 15 ARG HD3 3 20 TRP HA 3.035 . 4.600 3.584 3.102 4.474 . 0 0 "[ . 1]" 1
1357 3 15 ARG HD3 3 20 TRP HZ2 3.175 . 4.137 3.750 3.662 3.972 . 0 0 "[ . 1]" 1
1358 3 15 ARG HD3 3 20 TRP HH2 3.055 . 3.934 4.036 3.795 4.210 0.277 8 0 "[ . 1]" 1
1359 3 15 ARG QD 3 16 LYS H 3.435 . 4.580 2.356 2.125 2.826 . 0 0 "[ . 1]" 1
1360 3 15 ARG QD 3 20 TRP HA 2.930 . 3.721 3.176 2.954 3.589 . 0 0 "[ . 1]" 1
1361 3 15 ARG QD 3 20 TRP HH2 2.965 . 3.780 3.839 3.682 3.982 0.201 8 0 "[ . 1]" 1
1362 3 16 LYS H 3 16 LYS QG 3.365 . 4.460 3.506 2.983 3.796 . 0 0 "[ . 1]" 1
1363 3 16 LYS H 3 19 GLU H 2.830 . 3.551 3.089 2.898 3.313 . 0 0 "[ . 1]" 1
1364 3 16 LYS H 3 20 TRP HA 3.220 . 4.214 3.775 3.621 3.905 . 0 0 "[ . 1]" 1
1365 3 16 LYS HA 3 16 LYS QG 2.680 . 3.296 2.988 2.836 3.231 . 0 0 "[ . 1]" 1
1366 3 16 LYS HA 3 17 ASP H 2.635 . 3.220 2.183 2.165 2.215 . 0 0 "[ . 1]" 1
1367 3 16 LYS QB 3 17 ASP H 3.670 . 4.979 3.573 3.257 3.698 . 0 0 "[ . 1]" 1
1368 3 16 LYS QG 3 17 ASP H 3.340 . 4.418 3.095 2.685 3.383 . 0 0 "[ . 1]" 1
1369 3 16 LYS QG 3 17 ASP HA 3.220 . 4.214 4.147 3.978 4.314 0.100 3 0 "[ . 1]" 1
1370 3 16 LYS QG 3 17 ASP HB2 2.750 . 3.415 2.661 1.981 3.862 0.447 9 0 "[ . 1]" 1
1371 3 16 LYS QG 3 17 ASP HB3 2.750 . 3.323 3.382 2.972 3.617 0.294 3 0 "[ . 1]" 1
1372 3 16 LYS QG 3 19 GLU H 3.650 . 4.945 4.098 3.812 4.376 . 0 0 "[ . 1]" 1
1373 3 16 LYS QD 3 21 VAL QG 2.690 . 3.313 2.058 1.733 3.173 0.067 7 0 "[ . 1]" 1
1374 3 16 LYS QD 3 26 PHE QE 2.880 . 3.636 3.459 2.985 3.655 0.019 1 0 "[ . 1]" 1
1375 3 16 LYS QD 3 26 PHE HZ 2.655 . 3.253 2.333 2.041 2.573 . 0 0 "[ . 1]" 1
1376 3 16 LYS QE 3 26 PHE HZ 3.125 . 4.052 3.603 3.049 3.991 . 0 0 "[ . 1]" 1
1377 3 17 ASP H 3 18 GLY H 3.010 . 3.857 2.935 2.805 3.073 . 0 0 "[ . 1]" 1
1378 3 18 GLY H 3 19 GLU H 2.810 . 3.517 2.874 2.849 2.902 . 0 0 "[ . 1]" 1
1379 3 18 GLY HA3 3 19 GLU HA 3.165 . 5.121 4.520 4.505 4.539 . 0 0 "[ . 1]" 1
1380 3 18 GLY HA3 3 19 GLU HG2 4.060 . 5.642 4.654 3.915 5.075 . 0 0 "[ . 1]" 1
1381 3 18 GLY HA3 3 19 GLU HG3 4.060 . 5.642 3.975 3.322 4.740 . 0 0 "[ . 1]" 1
1382 3 18 GLY HA2 3 19 GLU HA 3.165 . 5.121 4.406 4.391 4.423 . 0 0 "[ . 1]" 1
1383 3 18 GLY HA2 3 19 GLU HG2 4.060 . 5.642 5.448 4.805 5.906 0.264 4 0 "[ . 1]" 1
1384 3 18 GLY HA2 3 19 GLU HG3 4.060 . 5.642 4.802 4.272 5.284 . 0 0 "[ . 1]" 1
1385 3 18 GLY QA 3 19 GLU QG 3.355 . 4.444 3.505 3.163 3.898 . 0 0 "[ . 1]" 1
1386 3 19 GLU H 3 19 GLU HB2 2.955 2.479 3.157 2.828 2.541 3.475 0.318 6 0 "[ . 1]" 1
1387 3 19 GLU H 3 19 GLU HB3 2.955 2.674 3.548 3.728 3.635 3.863 0.316 2 0 "[ . 1]" 1
1388 3 19 GLU H 3 19 GLU HG2 3.265 . 4.291 3.855 2.821 4.276 . 0 0 "[ . 1]" 1
1389 3 19 GLU H 3 19 GLU HG3 3.265 . 4.291 2.942 2.045 3.690 . 0 0 "[ . 1]" 1
1390 3 19 GLU H 3 19 GLU QG 3.605 . 4.869 2.836 2.014 3.466 . 0 0 "[ . 1]" 1
1391 3 19 GLU HA 3 19 GLU HG2 2.935 . 3.730 2.785 2.206 3.445 . 0 0 "[ . 1]" 1
1392 3 19 GLU HA 3 19 GLU HG3 2.935 . 3.730 3.169 2.781 3.689 . 0 0 "[ . 1]" 1
1393 3 19 GLU HA 3 19 GLU QG 2.775 . 3.457 2.564 2.161 3.144 . 0 0 "[ . 1]" 1
1394 3 19 GLU HA 3 20 TRP H 2.630 . 3.211 2.345 2.315 2.377 . 0 0 "[ . 1]" 1
1395 3 19 GLU HA 3 20 TRP HA 3.190 . 4.163 4.312 4.304 4.326 0.163 7 0 "[ . 1]" 1
1396 3 19 GLU HA 3 20 TRP QB 3.610 . 4.877 4.443 4.372 4.479 . 0 0 "[ . 1]" 1
1397 3 19 GLU HA 3 20 TRP HD1 3.470 . 4.639 4.444 4.319 4.520 . 0 0 "[ . 1]" 1
1398 3 19 GLU HB2 3 20 TRP H 2.995 2.726 3.652 3.445 2.694 3.859 0.207 10 0 "[ . 1]" 1
1399 3 19 GLU HB3 3 20 TRP H 2.995 2.456 3.112 2.621 2.410 3.133 0.046 7 0 "[ . 1]" 1
1400 3 19 GLU QG 3 20 TRP H 3.665 . 4.970 3.907 3.383 4.343 . 0 0 "[ . 1]" 1
1401 3 20 TRP H 3 20 TRP HD1 3.230 . 4.231 3.428 3.376 3.552 . 0 0 "[ . 1]" 1
1402 3 20 TRP H 3 21 VAL H 3.240 . 4.248 4.316 4.259 4.404 0.156 5 0 "[ . 1]" 1
1403 3 20 TRP HA 3 20 TRP HE3 2.635 . 3.220 2.260 2.071 2.358 . 0 0 "[ . 1]" 1
1404 3 20 TRP HA 3 21 VAL H 2.605 . 3.168 2.098 2.067 2.135 . 0 0 "[ . 1]" 1
1405 3 20 TRP HA 3 21 VAL HA 3.080 . 4.976 4.375 4.337 4.400 . 0 0 "[ . 1]" 1
1406 3 20 TRP HA 3 21 VAL QG 3.965 . 5.481 3.377 3.130 3.709 . 0 0 "[ . 1]" 1
1407 3 20 TRP QB 3 21 VAL H 3.665 . 4.970 3.375 3.207 3.460 . 0 0 "[ . 1]" 1
1408 3 20 TRP HE3 3 21 VAL H 3.080 . 3.976 3.098 2.888 3.233 . 0 0 "[ . 1]" 1
1409 3 20 TRP HE3 3 21 VAL QG 3.895 . 5.361 4.464 3.872 4.952 . 0 0 "[ . 1]" 1
1410 3 21 VAL H 3 21 VAL HB 2.905 . 3.678 3.262 2.752 3.754 0.075 10 0 "[ . 1]" 1
1411 3 21 VAL HA 3 21 VAL QG 2.640 . 3.228 2.266 2.047 2.430 . 0 0 "[ . 1]" 1
1412 3 21 VAL HA 3 22 LEU H 2.560 . 3.092 2.068 2.033 2.097 . 0 0 "[ . 1]" 1
1413 3 21 VAL HA 3 22 LEU HA 3.175 . 4.137 4.219 4.197 4.233 0.095 8 0 "[ . 1]" 1
1414 3 21 VAL HA 3 22 LEU QB 2.960 . 3.772 3.917 3.893 3.942 0.170 3 0 "[ . 1]" 1
1415 3 21 VAL HB 3 22 LEU H 2.890 . 3.653 3.457 3.098 3.799 0.146 5 0 "[ . 1]" 1
1416 3 21 VAL HB 3 22 LEU HA 3.210 . 5.197 5.139 4.976 5.277 0.080 10 0 "[ . 1]" 1
1417 3 21 VAL HB 3 26 PHE QE 2.900 . 3.670 2.293 1.898 2.638 . 0 0 "[ . 1]" 1
1418 3 21 VAL HB 3 26 PHE HZ 3.065 . 3.951 3.741 3.445 4.008 0.057 4 0 "[ . 1]" 1
1419 3 21 VAL QG 3 26 PHE QE 2.735 . 3.389 2.014 1.739 2.530 0.061 7 0 "[ . 1]" 1
1420 3 21 VAL QG 3 26 PHE HZ 2.820 . 3.534 2.661 2.115 3.161 . 0 0 "[ . 1]" 1
1421 3 21 VAL QG 3 22 LEU H 3.940 . 5.438 2.759 2.040 3.412 . 0 0 "[ . 1]" 1
1422 3 21 VAL QG 3 26 PHE QD 3.825 . 5.242 3.287 2.755 3.775 . 0 0 "[ . 1]" 1
1423 3 22 LEU H 3 22 LEU MD1 3.560 . 4.792 4.101 3.891 4.189 . 0 0 "[ . 1]" 1
1424 3 22 LEU H 3 22 LEU MD2 3.560 . 4.792 3.726 3.462 3.849 . 0 0 "[ . 1]" 1
1425 3 22 LEU H 3 22 LEU QD 3.895 . 5.361 3.456 3.295 3.547 . 0 0 "[ . 1]" 1
1426 3 22 LEU HA 3 22 LEU HG 2.870 . 3.619 2.839 2.764 3.024 . 0 0 "[ . 1]" 1
1427 3 22 LEU HA 3 22 LEU MD1 2.705 . 3.339 3.641 3.582 3.746 0.407 9 0 "[ . 1]" 1
1428 3 22 LEU HA 3 22 LEU MD2 2.705 . 3.339 1.846 1.778 1.990 0.022 4 0 "[ . 1]" 1
1429 3 22 LEU HA 3 22 LEU QD 2.415 . 2.845 1.841 1.773 1.983 0.027 4 0 "[ . 1]" 1
1430 3 22 LEU HA 3 23 LEU H 2.575 . 3.118 2.081 2.058 2.120 . 0 0 "[ . 1]" 1
1431 3 22 LEU HA 3 23 LEU QB 3.470 . 4.639 3.956 3.914 4.016 . 0 0 "[ . 1]" 1
1432 3 22 LEU QB 3 22 LEU MD1 2.595 . 3.151 2.033 1.981 2.093 . 0 0 "[ . 1]" 1
1433 3 22 LEU QB 3 22 LEU MD2 2.595 . 3.151 2.440 2.332 2.524 . 0 0 "[ . 1]" 1
1434 3 22 LEU QB 3 22 LEU QD 2.320 . 2.684 1.937 1.902 1.997 . 0 0 "[ . 1]" 1
1435 3 22 LEU QB 3 24 SER H 3.050 . 3.925 3.119 2.946 3.476 . 0 0 "[ . 1]" 1
1436 3 22 LEU QB 3 24 SER QB 3.520 . 4.724 3.443 3.175 4.091 . 0 0 "[ . 1]" 1
1437 3 22 LEU MD1 3 24 SER H 3.590 . 4.843 3.874 3.559 4.374 . 0 0 "[ . 1]" 1
1438 3 22 LEU MD1 3 24 SER HB2 4.080 . 5.676 3.910 3.129 4.878 . 0 0 "[ . 1]" 1
1439 3 22 LEU MD1 3 24 SER HB3 4.080 . 5.676 3.547 2.992 4.658 . 0 0 "[ . 1]" 1
1440 3 22 LEU MD2 3 24 SER H 3.590 . 4.843 2.850 2.627 3.245 . 0 0 "[ . 1]" 1
1441 3 22 LEU MD2 3 24 SER HB2 4.080 . 5.676 4.037 3.388 5.023 . 0 0 "[ . 1]" 1
1442 3 22 LEU MD2 3 24 SER HB3 4.080 . 5.676 4.116 3.512 5.202 . 0 0 "[ . 1]" 1
1443 3 22 LEU QD 3 23 LEU H 4.805 . 6.909 2.345 2.029 2.834 . 0 0 "[ . 1]" 1
1444 3 22 LEU QD 3 24 SER H 3.945 . 5.446 2.777 2.569 3.080 . 0 0 "[ . 1]" 1
1445 3 22 LEU QD 3 24 SER QB 3.220 . 4.214 2.947 2.728 3.561 . 0 0 "[ . 1]" 1
1446 3 23 LEU H 3 23 LEU HB2 2.745 2.396 2.991 2.510 2.243 2.607 0.153 8 0 "[ . 1]" 1
1447 3 23 LEU H 3 23 LEU HB3 2.745 2.309 2.818 2.400 2.272 2.846 0.037 2 0 "[ . 1]" 1
1448 3 23 LEU H 3 24 SER H 2.755 . 3.424 2.707 2.658 2.767 . 0 0 "[ . 1]" 1
1449 3 23 LEU HA 3 23 LEU HG 2.860 . 3.602 3.274 2.842 3.531 . 0 0 "[ . 1]" 1
1450 3 23 LEU HA 3 26 PHE H 3.260 . 4.282 3.542 3.465 3.590 . 0 0 "[ . 1]" 1
1451 3 23 LEU HA 3 26 PHE HB2 3.165 . 4.121 3.116 2.899 3.302 . 0 0 "[ . 1]" 1
1452 3 23 LEU HA 3 26 PHE QB 3.080 . 3.976 3.076 2.868 3.256 . 0 0 "[ . 1]" 1
1453 3 23 LEU HA 3 26 PHE QD 2.635 . 3.220 2.624 2.261 3.275 0.056 4 0 "[ . 1]" 1
1454 3 23 LEU HA 3 26 PHE QE 3.040 . 3.908 4.280 3.977 5.009 1.101 4 3 "[ +.- *]" 1
1455 3 23 LEU QB 3 24 SER H 3.870 . 5.319 2.549 2.334 2.767 . 0 0 "[ . 1]" 1
1456 3 23 LEU QB 3 26 PHE H 3.985 . 5.515 4.837 4.731 4.942 . 0 0 "[ . 1]" 1
1457 3 23 LEU HG 3 24 SER HA 3.000 . 3.840 3.774 3.206 6.084 2.244 8 1 "[ . + 1]" 1
1458 3 23 LEU MD1 3 26 PHE HB2 4.305 . 6.058 2.735 2.162 4.845 . 0 0 "[ . 1]" 1
1459 3 23 LEU MD1 3 26 PHE HB3 4.305 . 6.058 3.820 3.261 5.877 . 0 0 "[ . 1]" 1
1460 3 23 LEU MD2 3 26 PHE HB2 4.305 . 6.058 4.747 2.272 5.203 . 0 0 "[ . 1]" 1
1461 3 23 LEU MD2 3 26 PHE HB3 4.305 . 6.058 5.767 3.334 6.148 0.090 6 0 "[ . 1]" 1
1462 3 23 LEU QD 3 26 PHE H 5.160 . 7.512 3.674 3.253 4.316 . 0 0 "[ . 1]" 1
1463 3 23 LEU QD 3 26 PHE QB 3.465 . 4.630 2.422 2.138 2.991 . 0 0 "[ . 1]" 1
1464 3 23 LEU QD 3 27 LEU QB 3.970 . 5.489 3.900 3.545 4.487 . 0 0 "[ . 1]" 1
1465 3 24 SER H 3 25 THR H 2.860 . 3.602 2.711 2.660 2.911 . 0 0 "[ . 1]" 1
1466 3 24 SER HA 3 27 LEU H 3.005 . 3.849 2.895 2.668 3.078 . 0 0 "[ . 1]" 1
1467 3 24 SER HA 3 27 LEU QD 3.450 . 4.605 2.757 2.382 3.174 . 0 0 "[ . 1]" 1
1468 3 25 THR H 3 25 THR HB 2.755 . 3.424 2.382 2.308 2.465 . 0 0 "[ . 1]" 1
1469 3 25 THR H 3 25 THR MG 3.285 . 4.325 3.745 3.708 3.772 . 0 0 "[ . 1]" 1
1470 3 25 THR H 3 26 PHE H 2.750 . 3.415 2.385 2.328 2.443 . 0 0 "[ . 1]" 1
1471 3 25 THR HA 3 25 THR MG 2.515 . 3.016 2.523 2.450 2.644 . 0 0 "[ . 1]" 1
1472 3 25 THR HB 3 26 PHE H 3.030 . 3.891 3.139 3.094 3.191 . 0 0 "[ . 1]" 1
1473 3 25 THR HB 3 26 PHE QD 2.910 . 3.687 2.886 2.487 3.324 . 0 0 "[ . 1]" 1
1474 3 25 THR HB 3 26 PHE QE 2.915 . 3.695 3.411 2.968 3.690 . 0 0 "[ . 1]" 1
1475 3 25 THR MG 3 26 PHE QD 3.040 . 3.908 3.623 3.299 3.823 . 0 0 "[ . 1]" 1
1476 3 25 THR MG 3 26 PHE QE 2.970 . 3.789 3.498 3.177 3.709 . 0 0 "[ . 1]" 1
1477 3 25 THR MG 3 26 PHE HZ 3.015 . 4.565 4.399 4.153 4.578 0.012 10 0 "[ . 1]" 1
1478 3 26 PHE H 3 26 PHE HB2 2.960 2.393 2.987 2.364 2.303 2.429 0.090 2 0 "[ . 1]" 1
1479 3 26 PHE H 3 26 PHE HB3 2.960 2.680 3.560 3.593 3.570 3.621 0.061 1 0 "[ . 1]" 1
1480 3 26 PHE H 3 27 LEU H 2.690 . 3.313 2.307 2.232 2.370 . 0 0 "[ . 1]" 1
1481 3 26 PHE HA 3 26 PHE QD 2.605 . 3.168 2.972 2.771 3.076 . 0 0 "[ . 1]" 1
1482 3 26 PHE HB2 3 27 LEU H 3.280 3.104 4.316 3.525 3.419 3.715 . 0 0 "[ . 1]" 1
1483 3 26 PHE HB3 3 27 LEU H 3.280 3.076 4.316 4.188 4.129 4.336 0.020 1 0 "[ . 1]" 1
1484 3 27 LEU HA 3 27 LEU HG 2.860 . 3.602 3.105 2.618 3.739 0.137 9 0 "[ . 1]" 1
1485 1 2 TYR HD2 3 3 ILE H 4.235 . 5.939 5.022 3.979 5.955 0.015 9 0 "[ . 1]" 1
1486 1 2 TYR HD1 3 4 PRO HA 2.700 . 3.330 1.947 1.695 2.726 0.105 4 0 "[ . 1]" 1
1487 1 2 TYR HD1 3 4 PRO QB 4.950 . 7.155 2.804 2.356 3.216 . 0 0 "[ . 1]" 1
1488 1 2 TYR HE2 3 2 TYR HB2 3.015 . 3.865 2.536 1.881 3.250 . 0 0 "[ . 1]" 1
1489 1 2 TYR HE2 3 2 TYR HB3 3.015 . 3.865 3.706 2.549 4.132 0.266 2 0 "[ . 1]" 1
1490 1 2 TYR HE2 3 2 TYR QB 2.945 . 3.747 2.481 1.835 3.095 . 0 0 "[ . 1]" 1
1491 1 2 TYR HE1 3 4 PRO HA 3.170 . 4.129 3.730 3.451 3.987 . 0 0 "[ . 1]" 1
1492 1 2 TYR HE1 3 4 PRO QB 5.240 . 7.648 3.084 2.273 3.961 . 0 0 "[ . 1]" 1
1493 1 2 TYR HE1 3 4 PRO QD 3.655 . 4.953 4.102 3.439 4.942 . 0 0 "[ . 1]" 1
1494 1 4 PRO HA 2 2 TYR HD1 2.700 . 3.330 2.613 2.351 2.886 . 0 0 "[ . 1]" 1
1495 1 4 PRO QB 2 2 TYR HD1 4.950 . 7.155 2.820 2.655 3.046 . 0 0 "[ . 1]" 1
1496 1 2 TYR HB2 2 2 TYR HE2 3.015 . 3.865 2.235 1.896 2.950 . 0 0 "[ . 1]" 1
1497 1 2 TYR HB3 2 2 TYR HE2 3.015 . 3.865 3.081 2.338 3.868 0.002 9 0 "[ . 1]" 1
1498 1 2 TYR QB 2 2 TYR HE2 2.945 . 3.747 2.125 1.873 2.487 . 0 0 "[ . 1]" 1
1499 1 4 PRO HA 2 2 TYR HE1 3.170 . 4.129 3.543 3.243 3.808 . 0 0 "[ . 1]" 1
1500 1 4 PRO QB 2 2 TYR HE1 5.240 . 7.648 2.396 2.238 2.710 . 0 0 "[ . 1]" 1
1501 1 4 PRO QD 2 2 TYR HE1 3.655 . 4.953 4.445 3.972 4.825 . 0 0 "[ . 1]" 1
1502 2 4 PRO HA 3 2 TYR HD1 2.700 . 3.330 2.364 1.978 3.105 . 0 0 "[ . 1]" 1
1503 2 4 PRO QB 3 2 TYR HD1 4.950 . 7.155 2.852 2.579 3.318 . 0 0 "[ . 1]" 1
1504 2 2 TYR HB2 3 2 TYR HE2 3.015 . 3.865 2.146 1.853 2.370 . 0 0 "[ . 1]" 1
1505 2 2 TYR HB3 3 2 TYR HE2 3.015 . 3.865 2.259 1.856 3.068 . 0 0 "[ . 1]" 1
1506 2 2 TYR QB 3 2 TYR HE2 2.945 . 3.747 1.895 1.791 2.135 0.009 8 0 "[ . 1]" 1
1507 2 4 PRO HA 3 2 TYR HE1 3.170 . 4.129 3.668 3.526 4.142 0.013 6 0 "[ . 1]" 1
1508 2 4 PRO QB 3 2 TYR HE1 5.240 . 7.648 2.645 2.381 3.189 . 0 0 "[ . 1]" 1
1509 2 4 PRO QD 3 2 TYR HE1 3.655 . 4.953 4.586 4.224 5.194 0.240 6 0 "[ . 1]" 1
1510 1 2 TYR H 1 2 TYR HB3 3.423 2.936 3.909 3.691 3.512 3.850 . 0 0 "[ . 1]" 1
1511 1 2 TYR H 1 2 TYR HB2 2.840 2.528 3.152 2.574 2.434 2.776 0.094 3 0 "[ . 1]" 1
1512 1 1 GLY QA 1 2 TYR H 2.800 2.500 3.099 2.458 2.331 2.650 0.169 7 0 "[ . 1]" 1
1513 1 2 TYR H 1 2 TYR QD 3.213 2.789 3.637 3.234 2.837 3.868 0.231 5 0 "[ . 1]" 1
1514 1 2 TYR H 1 2 TYR HA 3.171 2.759 3.582 2.927 2.911 2.944 . 0 0 "[ . 1]" 1
1515 2 2 TYR H 2 2 TYR HB3 3.423 2.936 3.909 3.618 3.575 3.667 . 0 0 "[ . 1]" 1
1516 2 2 TYR H 2 2 TYR HB2 2.840 2.528 3.152 2.535 2.465 2.584 0.063 5 0 "[ . 1]" 1
1517 2 1 GLY QA 2 2 TYR H 2.800 2.500 3.099 2.449 2.131 2.920 0.369 6 0 "[ . 1]" 1
1518 2 2 TYR H 2 2 TYR QD 3.213 2.789 3.637 3.251 2.750 3.406 0.039 5 0 "[ . 1]" 1
1519 2 2 TYR H 2 2 TYR HA 3.171 2.759 3.582 2.936 2.931 2.943 . 0 0 "[ . 1]" 1
1520 3 2 TYR H 3 2 TYR HB3 3.423 2.936 3.909 3.666 3.644 3.687 . 0 0 "[ . 1]" 1
1521 3 2 TYR H 3 2 TYR HB2 2.840 2.528 3.152 2.483 2.462 2.527 0.066 5 0 "[ . 1]" 1
1522 3 1 GLY QA 3 2 TYR H 2.800 2.500 3.099 2.581 2.335 2.834 0.165 2 0 "[ . 1]" 1
1523 3 2 TYR H 3 2 TYR QD 3.213 2.789 3.637 2.894 2.775 3.135 0.014 7 0 "[ . 1]" 1
1524 3 2 TYR H 3 2 TYR HA 3.171 2.759 3.582 2.931 2.916 2.943 . 0 0 "[ . 1]" 1
1525 1 2 TYR HB2 1 2 TYR QD 2.272 . 2.743 2.513 2.261 2.746 0.003 3 0 "[ . 1]" 1
1526 1 2 TYR HA 1 2 TYR HB2 2.325 . 2.849 2.973 2.894 3.017 0.168 7 0 "[ . 1]" 1
1527 1 2 TYR HB3 1 2 TYR QD 2.234 . 2.668 2.570 2.295 2.739 0.072 2 0 "[ . 1]" 1
1528 1 2 TYR HA 1 2 TYR HB3 2.425 . 3.030 2.498 2.331 2.746 . 0 0 "[ . 1]" 1
1529 1 5 GLU HA 1 5 GLU HB3 2.435 . 3.070 3.009 2.996 3.024 . 0 0 "[ . 1]" 1
1530 1 5 GLU HB3 1 5 GLU QG 2.431 . 2.942 2.141 2.114 2.252 . 0 0 "[ . 1]" 1
1531 1 5 GLU HA 1 5 GLU HB2 2.376 . 2.952 2.363 2.337 2.402 . 0 0 "[ . 1]" 1
1532 1 5 GLU HB2 1 5 GLU QG 2.498 . 2.974 2.500 2.429 2.522 . 0 0 "[ . 1]" 1
1533 1 8 ARG HB2 1 8 ARG QG 2.648 . 3.184 2.372 2.226 2.514 . 0 0 "[ . 1]" 1
1534 1 8 ARG HA 1 8 ARG HB2 2.297 . 2.795 2.942 2.871 2.979 0.184 10 0 "[ . 1]" 1
1535 1 8 ARG HB2 1 9 ASP HA 3.429 . 5.058 5.116 4.907 5.423 0.365 6 0 "[ . 1]" 1
1536 1 8 ARG HB2 1 8 ARG QD 2.354 . 2.908 2.639 2.133 2.946 0.038 9 0 "[ . 1]" 1
1537 1 8 ARG HA 1 8 ARG HB3 2.547 . 3.295 2.596 2.448 2.749 . 0 0 "[ . 1]" 1
1538 1 8 ARG HB3 1 8 ARG QD 2.606 . 3.412 2.925 2.106 3.506 0.094 5 0 "[ . 1]" 1
1539 1 11 GLN HA 1 11 GLN QB 2.176 . 2.752 2.448 2.248 2.536 . 0 0 "[ . 1]" 1
1540 1 13 TYR HB3 1 22 LEU MD2 3.335 . 4.870 4.968 4.831 5.230 0.360 7 0 "[ . 1]" 1
1541 1 13 TYR HB3 1 14 VAL QG 3.330 . 4.861 3.916 3.790 4.006 . 0 0 "[ . 1]" 1
1542 1 12 ALA HA 1 13 TYR HB3 3.429 . 6.058 5.494 5.439 5.579 . 0 0 "[ . 1]" 1
1543 1 13 TYR HB3 1 13 TYR HD1 2.837 . 3.875 2.533 2.476 2.593 . 0 0 "[ . 1]" 1
1544 1 13 TYR HA 1 13 TYR HB3 2.592 . 3.158 2.524 2.487 2.579 . 0 0 "[ . 1]" 1
1545 1 13 TYR HB3 1 13 TYR HD2 2.629 . 3.457 3.501 3.457 3.542 0.084 7 0 "[ . 1]" 1
1546 1 13 TYR HB3 1 21 VAL HA 3.410 . 5.021 4.681 4.601 4.774 . 0 0 "[ . 1]" 1
1547 1 13 TYR HA 1 13 TYR HB2 2.708 . 3.616 2.984 2.975 3.003 . 0 0 "[ . 1]" 1
1548 1 13 TYR HB2 1 13 TYR HD2 2.729 . 3.657 2.329 2.289 2.358 . 0 0 "[ . 1]" 1
1549 1 13 TYR HB2 1 13 TYR HD1 2.699 . 3.599 3.661 3.640 3.681 0.083 5 0 "[ . 1]" 1
1550 1 13 TYR HB2 1 14 VAL HA 3.600 . 5.400 4.974 4.722 5.123 . 0 0 "[ . 1]" 1
1551 1 15 ARG HB3 1 15 ARG QG 2.445 . 3.089 2.165 2.150 2.198 . 0 0 "[ . 1]" 1
1552 1 15 ARG HA 1 15 ARG HB3 2.784 . 3.759 2.942 2.910 2.973 . 0 0 "[ . 1]" 1
1553 1 15 ARG HB2 1 20 TRP HZ2 3.524 . 5.248 4.873 4.565 5.261 0.013 4 0 "[ . 1]" 1
1554 1 15 ARG HB2 1 15 ARG QG 2.495 . 3.190 2.109 2.093 2.125 . 0 0 "[ . 1]" 1
1555 1 15 ARG HB2 1 15 ARG HD2 2.850 . 3.900 3.465 3.431 3.514 . 0 0 "[ . 1]" 1
1556 1 15 ARG HA 1 15 ARG HB2 2.719 . 3.638 2.737 2.703 2.763 . 0 0 "[ . 1]" 1
1557 1 15 ARG HB3 1 20 TRP HE3 3.556 . 5.312 5.381 5.333 5.407 0.095 1 0 "[ . 1]" 1
1558 1 15 ARG HB3 1 15 ARG HD2 3.009 . 4.217 3.223 3.075 3.592 . 0 0 "[ . 1]" 1
1559 1 14 VAL HA 1 15 ARG HB3 3.424 . 5.048 5.205 5.113 5.314 0.266 1 0 "[ . 1]" 1
1560 1 16 LYS HA 1 16 LYS HB2 2.267 . 2.734 2.238 2.220 2.296 . 0 0 "[ . 1]" 1
1561 1 14 VAL MG1 1 16 LYS HB3 2.559 . 4.319 4.341 4.146 4.439 0.120 2 0 "[ . 1]" 1
1562 1 16 LYS HA 1 16 LYS HB3 2.311 . 2.821 2.858 2.672 2.911 0.090 4 0 "[ . 1]" 1
1563 1 17 ASP HA 1 17 ASP HB3 2.220 . 2.641 2.723 2.222 2.886 0.245 6 0 "[ . 1]" 1
1564 1 17 ASP HA 1 17 ASP HB2 2.486 . 3.172 2.810 2.642 2.882 . 0 0 "[ . 1]" 1
1565 1 19 GLU HA 1 19 GLU HB3 2.197 . 2.593 2.406 2.219 2.613 0.020 10 0 "[ . 1]" 1
1566 1 19 GLU HB3 1 19 GLU QG 2.158 . 2.516 2.363 2.133 2.519 0.002 6 0 "[ . 1]" 1
1567 1 19 GLU HA 1 19 GLU HB2 2.480 . 3.160 2.932 2.773 3.011 . 0 0 "[ . 1]" 1
1568 1 19 GLU HB2 1 19 GLU QG 2.570 . 2.970 2.306 2.133 2.518 . 0 0 "[ . 1]" 1
1569 1 19 GLU HA 1 20 TRP HB2 3.356 . 4.911 4.644 4.601 4.728 . 0 0 "[ . 1]" 1
1570 1 20 TRP HA 1 20 TRP HB3 2.752 . 3.704 2.497 2.460 2.526 . 0 0 "[ . 1]" 1
1571 1 6 ALA HA 1 20 TRP HB3 3.244 . 4.688 3.982 3.835 4.081 . 0 0 "[ . 1]" 1
1572 1 20 TRP HB3 1 20 TRP HE3 3.065 . 4.330 2.763 2.624 2.831 . 0 0 "[ . 1]" 1
1573 1 20 TRP HB3 1 20 TRP HD1 2.840 . 3.880 3.688 3.654 3.754 . 0 0 "[ . 1]" 1
1574 1 13 TYR HD2 1 20 TRP HB3 3.286 . 4.773 3.497 3.446 3.534 . 0 0 "[ . 1]" 1
1575 1 13 TYR HE2 1 20 TRP HB2 3.432 . 5.063 5.194 5.167 5.247 0.184 8 0 "[ . 1]" 1
1576 1 20 TRP HA 1 20 TRP HB2 2.777 . 3.754 3.034 3.022 3.041 . 0 0 "[ . 1]" 1
1577 1 20 TRP HB2 1 20 TRP HD1 2.806 . 3.812 2.638 2.611 2.702 . 0 0 "[ . 1]" 1
1578 1 13 TYR HD2 1 20 TRP HB2 3.164 . 4.527 4.580 4.525 4.616 0.089 6 0 "[ . 1]" 1
1579 1 23 LEU HB3 1 23 LEU MD2 2.168 . 2.536 2.437 2.106 2.540 0.004 6 0 "[ . 1]" 1
1580 1 23 LEU HA 1 23 LEU HB3 2.552 . 3.304 3.014 2.999 3.030 . 0 0 "[ . 1]" 1
1581 1 23 LEU HB3 2 14 VAL HB 3.518 . 5.237 5.067 4.888 5.253 0.016 4 0 "[ . 1]" 1
1582 1 23 LEU HB3 1 23 LEU HG 2.176 . 2.552 2.360 2.288 2.630 0.078 8 0 "[ . 1]" 1
1583 1 23 LEU HB2 1 23 LEU HG 2.699 . 3.283 2.993 2.967 3.020 . 0 0 "[ . 1]" 1
1584 1 23 LEU HA 1 23 LEU HB2 2.335 . 2.869 2.414 2.358 2.477 . 0 0 "[ . 1]" 1
1585 1 22 LEU HA 1 23 LEU HB2 3.096 . 4.392 4.488 4.391 4.569 0.177 10 0 "[ . 1]" 1
1586 1 14 VAL HA 1 23 LEU HB2 3.320 . 4.839 4.847 4.728 4.906 0.067 4 0 "[ . 1]" 1
1587 1 23 LEU HB2 1 23 LEU MD2 2.363 . 2.925 2.297 2.196 2.602 . 0 0 "[ . 1]" 1
1588 1 23 LEU HB2 2 14 VAL HB 3.425 . 5.050 4.139 3.620 4.545 . 0 0 "[ . 1]" 1
1589 1 26 PHE HA 1 26 PHE HB2 2.361 . 2.923 3.011 2.995 3.028 0.105 6 0 "[ . 1]" 1
1590 1 26 PHE HB2 3 23 LEU MD1 2.458 . 3.116 3.124 1.922 3.639 0.523 4 1 "[ +. 1]" 1
1591 1 26 PHE HB2 1 26 PHE QD 2.280 . 2.759 2.448 2.351 2.634 . 0 0 "[ . 1]" 1
1592 1 26 PHE HA 1 26 PHE HB3 2.142 . 2.485 2.527 2.461 2.564 0.080 4 0 "[ . 1]" 1
1593 1 26 PHE HB3 3 23 LEU MD1 2.526 . 3.251 3.256 2.149 3.800 0.548 6 1 "[ .+ 1]" 1
1594 1 23 LEU HA 1 26 PHE HB3 3.340 . 4.881 4.825 4.619 4.989 0.108 6 0 "[ . 1]" 1
1595 1 26 PHE HB3 3 23 LEU MD2 2.433 . 3.067 2.326 1.845 2.990 . 0 0 "[ . 1]" 1
1596 1 26 PHE HB3 1 26 PHE QD 2.297 . 2.795 2.375 2.264 2.438 . 0 0 "[ . 1]" 1
1597 1 24 SER HA 1 27 LEU HB2 2.300 . 2.799 2.623 1.907 3.489 0.690 9 1 "[ . +1]" 1
1598 2 2 TYR HB2 2 2 TYR QD 2.272 . 2.743 2.697 2.624 2.765 0.022 5 0 "[ . 1]" 1
1599 2 2 TYR HA 2 2 TYR HB2 2.325 . 2.849 2.952 2.928 3.011 0.162 5 0 "[ . 1]" 1
1600 2 2 TYR HB3 2 2 TYR QD 2.234 . 2.668 2.284 2.254 2.342 . 0 0 "[ . 1]" 1
1601 2 2 TYR HA 2 2 TYR HB3 2.425 . 3.030 2.665 2.560 2.711 . 0 0 "[ . 1]" 1
1602 2 5 GLU HA 2 5 GLU HB3 2.435 . 3.070 3.006 2.998 3.013 . 0 0 "[ . 1]" 1
1603 2 5 GLU HB3 2 5 GLU QG 2.431 . 2.942 2.137 2.114 2.201 . 0 0 "[ . 1]" 1
1604 2 5 GLU HA 2 5 GLU HB2 2.376 . 2.952 2.361 2.337 2.393 . 0 0 "[ . 1]" 1
1605 2 5 GLU HB2 2 5 GLU QG 2.498 . 2.974 2.507 2.473 2.529 . 0 0 "[ . 1]" 1
1606 2 8 ARG HB2 2 8 ARG QG 2.648 . 3.184 2.409 2.232 2.519 . 0 0 "[ . 1]" 1
1607 2 8 ARG HA 2 8 ARG HB2 2.297 . 2.795 2.949 2.916 2.972 0.177 4 0 "[ . 1]" 1
1608 2 8 ARG HB2 2 9 ASP HA 3.429 . 5.058 5.128 5.062 5.209 0.151 6 0 "[ . 1]" 1
1609 2 8 ARG HB2 2 8 ARG QD 2.354 . 2.908 2.445 2.080 2.977 0.069 7 0 "[ . 1]" 1
1610 2 8 ARG HA 2 8 ARG HB3 2.547 . 3.295 2.607 2.531 2.689 . 0 0 "[ . 1]" 1
1611 2 8 ARG HB3 2 8 ARG QD 2.606 . 3.412 3.157 2.121 3.480 0.068 10 0 "[ . 1]" 1
1612 2 11 GLN HA 2 11 GLN HB2 2.176 . 2.752 2.900 2.781 2.975 0.223 8 0 "[ . 1]" 1
1613 2 11 GLN HB2 2 11 GLN QG 2.384 . 2.968 2.249 2.116 2.488 . 0 0 "[ . 1]" 1
1614 2 11 GLN HB3 2 11 GLN QG 2.416 . 2.889 2.294 2.152 2.467 . 0 0 "[ . 1]" 1
1615 2 11 GLN HA 2 11 GLN HB3 2.344 . 2.888 2.670 2.421 2.870 . 0 0 "[ . 1]" 1
1616 2 13 TYR HB3 2 22 LEU MD2 3.335 . 4.870 4.943 4.718 5.235 0.365 8 0 "[ . 1]" 1
1617 2 13 TYR HB3 2 14 VAL QG 3.330 . 4.861 3.964 3.750 4.398 . 0 0 "[ . 1]" 1
1618 2 12 ALA HA 2 13 TYR HB2 3.429 . 6.058 4.263 4.212 4.318 . 0 0 "[ . 1]" 1
1619 2 13 TYR HB3 2 13 TYR HD1 2.837 . 3.875 2.527 2.446 2.582 . 0 0 "[ . 1]" 1
1620 2 13 TYR HA 2 13 TYR HB3 2.592 . 3.158 2.519 2.491 2.571 . 0 0 "[ . 1]" 1
1621 2 13 TYR HB3 2 13 TYR HD2 2.629 . 3.457 3.510 3.463 3.540 0.082 8 0 "[ . 1]" 1
1622 2 13 TYR HB3 2 21 VAL HA 3.410 . 5.021 4.677 4.504 4.791 . 0 0 "[ . 1]" 1
1623 2 13 TYR HA 2 13 TYR HB2 2.708 . 3.616 2.982 2.970 2.996 . 0 0 "[ . 1]" 1
1624 2 13 TYR HB2 2 13 TYR HD2 2.729 . 3.657 2.332 2.300 2.365 . 0 0 "[ . 1]" 1
1625 2 13 TYR HB2 2 13 TYR HD1 2.699 . 3.599 3.659 3.616 3.681 0.082 10 0 "[ . 1]" 1
1626 2 13 TYR HB2 2 14 VAL HA 3.600 . 5.400 4.855 4.674 4.983 . 0 0 "[ . 1]" 1
1627 2 15 ARG HB3 2 15 ARG QG 2.445 . 3.089 2.179 2.138 2.222 . 0 0 "[ . 1]" 1
1628 2 15 ARG HA 2 15 ARG HB3 2.784 . 3.759 2.935 2.908 2.968 . 0 0 "[ . 1]" 1
1629 2 15 ARG HB2 2 20 TRP HZ2 3.524 . 5.248 4.766 4.200 5.065 . 0 0 "[ . 1]" 1
1630 2 15 ARG HB2 2 15 ARG QG 2.495 . 3.190 2.121 2.108 2.132 . 0 0 "[ . 1]" 1
1631 2 15 ARG HB2 2 15 ARG HD2 2.850 . 3.900 3.519 3.451 3.658 . 0 0 "[ . 1]" 1
1632 2 15 ARG HA 2 15 ARG HB2 2.719 . 3.638 2.754 2.707 2.789 . 0 0 "[ . 1]" 1
1633 2 15 ARG HB3 2 20 TRP HE3 3.556 . 5.312 5.408 5.330 5.577 0.266 9 0 "[ . 1]" 1
1634 2 15 ARG HB3 2 15 ARG HD2 3.009 . 4.217 3.102 3.014 3.185 . 0 0 "[ . 1]" 1
1635 2 14 VAL HA 2 15 ARG HB3 3.424 . 5.048 5.206 5.137 5.336 0.287 2 0 "[ . 1]" 1
1636 2 16 LYS HA 2 16 LYS HB2 2.267 . 2.734 2.250 2.211 2.307 . 0 0 "[ . 1]" 1
1637 2 14 VAL MG1 2 16 LYS HB3 2.559 . 4.319 3.884 2.050 4.699 0.380 9 0 "[ . 1]" 1
1638 2 16 LYS HA 2 16 LYS HB3 2.311 . 2.821 2.879 2.694 2.981 0.159 5 0 "[ . 1]" 1
1639 2 17 ASP HA 2 17 ASP HB3 2.220 . 2.641 2.730 2.259 2.956 0.315 10 0 "[ . 1]" 1
1640 2 17 ASP HA 2 17 ASP HB2 2.486 . 3.172 2.756 2.437 2.859 . 0 0 "[ . 1]" 1
1641 2 19 GLU HA 2 19 GLU HB3 2.197 . 2.593 2.333 2.220 2.577 . 0 0 "[ . 1]" 1
1642 2 19 GLU HB3 2 19 GLU QG 2.158 . 2.516 2.339 2.257 2.459 . 0 0 "[ . 1]" 1
1643 2 19 GLU HA 2 19 GLU HB2 2.480 . 3.160 2.927 2.781 3.019 . 0 0 "[ . 1]" 1
1644 2 19 GLU HB2 2 19 GLU QG 2.570 . 2.970 2.337 2.219 2.421 . 0 0 "[ . 1]" 1
1645 2 19 GLU HA 2 20 TRP HB2 3.356 . 4.911 4.636 4.572 4.703 . 0 0 "[ . 1]" 1
1646 2 20 TRP HA 2 20 TRP HB3 2.752 . 3.704 2.501 2.484 2.537 . 0 0 "[ . 1]" 1
1647 2 6 ALA HA 2 20 TRP HB3 3.244 . 4.688 4.201 3.987 4.614 . 0 0 "[ . 1]" 1
1648 2 20 TRP HB3 2 20 TRP HE3 3.065 . 4.330 2.768 2.706 2.822 . 0 0 "[ . 1]" 1
1649 2 20 TRP HB3 2 20 TRP HD1 2.840 . 3.880 3.692 3.661 3.721 . 0 0 "[ . 1]" 1
1650 2 13 TYR HD2 2 20 TRP HB3 3.286 . 4.773 3.497 3.421 3.574 . 0 0 "[ . 1]" 1
1651 2 13 TYR HE2 2 20 TRP HB2 3.432 . 5.063 5.180 5.107 5.250 0.187 4 0 "[ . 1]" 1
1652 2 20 TRP HA 2 20 TRP HB2 2.777 . 3.754 3.034 3.028 3.043 . 0 0 "[ . 1]" 1
1653 2 20 TRP HB2 2 20 TRP HD1 2.806 . 3.812 2.641 2.617 2.664 . 0 0 "[ . 1]" 1
1654 2 13 TYR HD2 2 20 TRP HB2 3.164 . 4.527 4.608 4.558 4.719 0.192 4 0 "[ . 1]" 1
1655 2 23 LEU HB3 2 23 LEU MD2 2.168 . 2.536 2.388 1.949 2.568 0.032 5 0 "[ . 1]" 1
1656 2 23 LEU HA 2 23 LEU HB3 2.552 . 3.304 3.008 2.998 3.018 . 0 0 "[ . 1]" 1
1657 2 23 LEU HB3 3 14 VAL HB 3.518 . 5.237 5.072 4.925 5.196 . 0 0 "[ . 1]" 1
1658 2 23 LEU HB3 2 23 LEU HG 2.176 . 2.552 2.464 2.312 2.910 0.358 5 0 "[ . 1]" 1
1659 2 23 LEU HB2 2 23 LEU HG 2.699 . 3.283 2.924 2.246 3.027 . 0 0 "[ . 1]" 1
1660 2 23 LEU HA 2 23 LEU HB2 2.335 . 2.869 2.406 2.359 2.589 . 0 0 "[ . 1]" 1
1661 2 22 LEU HA 2 23 LEU HB2 3.096 . 4.392 4.491 4.385 4.552 0.160 4 0 "[ . 1]" 1
1662 2 14 VAL HA 2 23 LEU HB2 3.320 . 4.839 4.878 4.751 4.922 0.082 7 0 "[ . 1]" 1
1663 2 23 LEU HB2 2 23 LEU MD2 2.363 . 2.925 2.428 2.232 3.123 0.198 5 0 "[ . 1]" 1
1664 2 23 LEU HB2 3 14 VAL HB 3.425 . 5.050 4.237 3.636 4.620 . 0 0 "[ . 1]" 1
1665 2 26 PHE HA 2 26 PHE HB2 2.361 . 2.923 3.011 3.000 3.032 0.109 2 0 "[ . 1]" 1
1666 1 23 LEU MD1 2 26 PHE HB2 2.458 . 3.116 3.218 3.164 3.301 0.184 10 0 "[ . 1]" 1
1667 2 26 PHE HB2 2 26 PHE QD 2.280 . 2.759 2.432 2.325 2.623 . 0 0 "[ . 1]" 1
1668 2 26 PHE HA 2 26 PHE HB3 2.142 . 2.485 2.517 2.495 2.548 0.063 5 0 "[ . 1]" 1
1669 1 23 LEU MD1 2 26 PHE HB3 2.526 . 3.251 3.298 3.139 3.405 0.154 8 0 "[ . 1]" 1
1670 2 23 LEU HA 2 26 PHE HB3 3.340 . 4.881 4.873 4.746 4.945 0.064 3 0 "[ . 1]" 1
1671 1 23 LEU MD2 2 26 PHE HB3 2.433 . 3.067 2.423 1.787 2.746 0.013 8 0 "[ . 1]" 1
1672 2 26 PHE HB3 2 26 PHE QD 2.297 . 2.795 2.403 2.304 2.496 . 0 0 "[ . 1]" 1
1673 2 24 SER HA 2 27 LEU HB2 2.300 . 2.799 2.584 1.844 3.122 0.322 5 0 "[ . 1]" 1
1674 3 2 TYR HB2 3 2 TYR QD 2.272 . 2.743 2.704 2.661 2.762 0.019 2 0 "[ . 1]" 1
1675 3 2 TYR HA 3 2 TYR HB2 2.325 . 2.849 2.979 2.952 3.009 0.160 5 0 "[ . 1]" 1
1676 3 2 TYR HB3 3 2 TYR QD 2.234 . 2.668 2.409 2.275 2.519 . 0 0 "[ . 1]" 1
1677 3 2 TYR HA 3 2 TYR HB3 2.425 . 3.030 2.559 2.488 2.652 . 0 0 "[ . 1]" 1
1678 3 5 GLU HA 3 5 GLU HB3 2.435 . 3.070 3.006 2.990 3.020 . 0 0 "[ . 1]" 1
1679 3 5 GLU HB3 3 5 GLU QG 2.431 . 2.942 2.137 2.116 2.174 . 0 0 "[ . 1]" 1
1680 3 5 GLU HA 3 5 GLU HB2 2.376 . 2.952 2.360 2.330 2.399 . 0 0 "[ . 1]" 1
1681 3 5 GLU HB2 3 5 GLU QG 2.498 . 2.974 2.504 2.483 2.523 . 0 0 "[ . 1]" 1
1682 3 8 ARG HB2 3 8 ARG QG 2.648 . 3.184 2.350 2.099 2.513 . 0 0 "[ . 1]" 1
1683 3 8 ARG HA 3 8 ARG HB2 2.297 . 2.795 2.922 2.725 2.984 0.190 5 0 "[ . 1]" 1
1684 3 8 ARG HB2 3 9 ASP HA 3.429 . 5.058 5.065 4.602 5.405 0.348 3 0 "[ . 1]" 1
1685 3 8 ARG HB2 3 8 ARG QD 2.354 . 2.908 2.535 2.022 2.936 0.028 2 0 "[ . 1]" 1
1686 3 8 ARG HA 3 8 ARG HB3 2.547 . 3.295 2.560 2.201 2.760 . 0 0 "[ . 1]" 1
1687 3 8 ARG HB3 3 8 ARG QD 2.606 . 3.412 2.847 1.900 3.521 0.110 6 0 "[ . 1]" 1
1688 3 11 GLN HA 3 11 GLN QB 2.176 . 2.752 2.445 2.292 2.525 . 0 0 "[ . 1]" 1
1689 3 13 TYR HB3 3 22 LEU MD2 3.335 . 4.870 4.928 4.773 5.027 0.157 9 0 "[ . 1]" 1
1690 3 13 TYR HB3 3 14 VAL QG 3.330 . 4.861 3.945 3.842 4.124 . 0 0 "[ . 1]" 1
1691 3 12 ALA HA 3 13 TYR HB2 3.429 . 6.058 4.275 4.240 4.358 . 0 0 "[ . 1]" 1
1692 3 13 TYR HB3 3 13 TYR HD1 2.837 . 3.875 2.521 2.441 2.564 . 0 0 "[ . 1]" 1
1693 3 13 TYR HA 3 13 TYR HB3 2.592 . 3.158 2.519 2.475 2.548 . 0 0 "[ . 1]" 1
1694 3 13 TYR HB3 3 13 TYR HD2 2.629 . 3.457 3.510 3.471 3.561 0.103 5 0 "[ . 1]" 1
1695 3 13 TYR HB3 3 21 VAL HA 3.410 . 5.021 4.675 4.561 4.859 . 0 0 "[ . 1]" 1
1696 3 13 TYR HA 3 13 TYR HB2 2.708 . 3.616 2.990 2.972 3.010 . 0 0 "[ . 1]" 1
1697 3 13 TYR HB2 3 13 TYR HD2 2.729 . 3.657 2.327 2.301 2.366 . 0 0 "[ . 1]" 1
1698 3 13 TYR HB2 3 13 TYR HD1 2.699 . 3.599 3.663 3.638 3.686 0.087 8 0 "[ . 1]" 1
1699 3 13 TYR HB2 3 14 VAL HA 3.600 . 5.400 4.889 4.567 5.043 . 0 0 "[ . 1]" 1
1700 3 15 ARG HB3 3 15 ARG QG 2.445 . 3.089 2.162 2.137 2.206 . 0 0 "[ . 1]" 1
1701 3 15 ARG HA 3 15 ARG HB3 2.784 . 3.759 2.938 2.898 2.977 . 0 0 "[ . 1]" 1
1702 3 15 ARG HB2 3 20 TRP HZ2 3.524 . 5.248 4.752 4.423 5.252 0.004 10 0 "[ . 1]" 1
1703 3 15 ARG HB2 3 15 ARG QG 2.495 . 3.190 2.118 2.094 2.138 . 0 0 "[ . 1]" 1
1704 3 15 ARG HB2 3 15 ARG HD2 2.850 . 3.900 3.475 3.411 3.526 . 0 0 "[ . 1]" 1
1705 3 15 ARG HA 3 15 ARG HB2 2.719 . 3.638 2.744 2.678 2.783 . 0 0 "[ . 1]" 1
1706 3 15 ARG HB3 3 20 TRP HE3 3.556 . 5.312 5.407 5.332 5.530 0.218 10 0 "[ . 1]" 1
1707 3 15 ARG HB3 3 15 ARG HD2 3.009 . 4.217 3.178 3.000 3.613 . 0 0 "[ . 1]" 1
1708 3 14 VAL HA 3 15 ARG HB3 3.424 . 5.048 5.199 5.166 5.278 0.230 10 0 "[ . 1]" 1
1709 3 16 LYS HA 3 16 LYS HB2 2.267 . 2.734 2.245 2.222 2.271 . 0 0 "[ . 1]" 1
1710 3 14 VAL MG1 3 16 LYS HB3 2.559 . 4.319 4.306 3.583 4.838 0.520 5 1 "[ + 1]" 1
1711 3 16 LYS HA 3 16 LYS HB3 2.311 . 2.821 2.871 2.718 2.936 0.114 5 0 "[ . 1]" 1
1712 3 17 ASP HA 3 17 ASP HB3 2.220 . 2.641 2.666 2.242 2.997 0.357 10 0 "[ . 1]" 1
1713 3 17 ASP HA 3 17 ASP HB2 2.486 . 3.172 2.785 2.627 2.922 . 0 0 "[ . 1]" 1
1714 3 19 GLU HA 3 19 GLU HB3 2.197 . 2.593 2.427 2.221 2.629 0.036 10 0 "[ . 1]" 1
1715 3 19 GLU HB3 3 19 GLU QG 2.158 . 2.516 2.316 2.152 2.483 . 0 0 "[ . 1]" 1
1716 3 19 GLU HA 3 19 GLU HB2 2.480 . 3.160 2.958 2.791 3.015 . 0 0 "[ . 1]" 1
1717 3 19 GLU HB2 3 19 GLU QG 2.570 . 2.970 2.360 2.189 2.516 . 0 0 "[ . 1]" 1
1718 3 19 GLU HA 3 20 TRP HB2 3.356 . 4.911 4.634 4.550 4.681 . 0 0 "[ . 1]" 1
1719 3 20 TRP HA 3 20 TRP HB3 2.752 . 3.704 2.509 2.489 2.526 . 0 0 "[ . 1]" 1
1720 3 6 ALA HA 3 20 TRP HB3 3.244 . 4.688 3.996 3.865 4.138 . 0 0 "[ . 1]" 1
1721 3 20 TRP HB3 3 20 TRP HE3 3.065 . 4.330 2.777 2.728 2.865 . 0 0 "[ . 1]" 1
1722 3 20 TRP HB3 3 20 TRP HD1 2.840 . 3.880 3.682 3.640 3.707 . 0 0 "[ . 1]" 1
1723 3 13 TYR HD2 3 20 TRP HB3 3.286 . 4.773 3.537 3.439 3.656 . 0 0 "[ . 1]" 1
1724 3 13 TYR HE2 3 20 TRP HB2 3.432 . 5.063 5.260 5.128 5.562 0.499 1 0 "[ . 1]" 1
1725 3 20 TRP HA 3 20 TRP HB2 2.777 . 3.754 3.033 3.021 3.043 . 0 0 "[ . 1]" 1
1726 3 20 TRP HB2 3 20 TRP HD1 2.806 . 3.812 2.627 2.602 2.651 . 0 0 "[ . 1]" 1
1727 3 13 TYR HD2 3 20 TRP HB2 3.164 . 4.527 4.655 4.581 4.763 0.236 1 0 "[ . 1]" 1
1728 3 23 LEU HB3 3 23 LEU MD2 2.168 . 2.536 2.362 2.020 2.574 0.038 8 0 "[ . 1]" 1
1729 3 23 LEU HA 3 23 LEU HB3 2.552 . 3.304 3.008 2.998 3.024 . 0 0 "[ . 1]" 1
1730 1 14 VAL HB 3 23 LEU HB3 3.518 . 5.237 5.005 4.132 5.353 0.117 3 0 "[ . 1]" 1
1731 3 23 LEU HB3 3 23 LEU HG 2.176 . 2.552 2.489 2.293 2.908 0.356 8 0 "[ . 1]" 1
1732 3 23 LEU HB2 3 23 LEU HG 2.699 . 3.283 2.924 2.241 3.021 . 0 0 "[ . 1]" 1
1733 3 23 LEU HA 3 23 LEU HB2 2.335 . 2.869 2.415 2.357 2.644 . 0 0 "[ . 1]" 1
1734 3 22 LEU HA 3 23 LEU HB2 3.096 . 4.392 4.488 4.252 4.561 0.169 2 0 "[ . 1]" 1
1735 3 14 VAL HA 3 23 LEU HB2 3.320 . 4.839 4.905 4.841 5.154 0.315 8 0 "[ . 1]" 1
1736 3 23 LEU HB2 3 23 LEU MD2 2.363 . 2.925 2.453 2.213 3.128 0.202 8 0 "[ . 1]" 1
1737 1 14 VAL HB 3 23 LEU HB2 3.425 . 5.050 4.251 3.197 4.705 . 0 0 "[ . 1]" 1
1738 3 26 PHE HA 3 26 PHE HB2 2.361 . 2.923 3.008 2.989 3.029 0.106 7 0 "[ . 1]" 1
1739 2 23 LEU MD1 3 26 PHE HB2 2.458 . 3.116 3.139 1.877 3.536 0.419 4 0 "[ . 1]" 1
1740 3 26 PHE HB2 3 26 PHE QD 2.280 . 2.759 2.449 2.351 2.537 . 0 0 "[ . 1]" 1
1741 3 26 PHE HA 3 26 PHE HB3 2.142 . 2.485 2.536 2.494 2.586 0.101 10 0 "[ . 1]" 1
1742 2 23 LEU MD1 3 26 PHE HB3 2.526 . 3.251 3.212 2.112 3.424 0.172 4 0 "[ . 1]" 1
1743 3 23 LEU HA 3 26 PHE HB3 3.340 . 4.881 4.746 4.536 4.957 0.077 9 0 "[ . 1]" 1
1744 2 23 LEU MD2 3 26 PHE HB3 2.433 . 3.067 2.326 1.787 3.077 0.013 2 0 "[ . 1]" 1
1745 3 26 PHE HB3 3 26 PHE QD 2.297 . 2.795 2.382 2.306 2.465 . 0 0 "[ . 1]" 1
1746 3 24 SER HA 3 27 LEU HB2 2.300 . 2.799 2.458 2.009 2.839 0.040 8 0 "[ . 1]" 1
1747 1 11 GLN H 1 11 GLN QB 3.219 2.746 3.693 2.394 2.241 2.705 0.505 8 1 "[ . + 1]" 1
1748 1 11 GLN QB 1 11 GLN HE21 4.001 3.267 4.734 3.349 2.274 3.955 0.993 3 1 "[ + . 1]" 1
1749 1 13 TYR H 1 13 TYR HB3 3.448 2.899 3.997 3.644 3.620 3.688 . 0 0 "[ . 1]" 1
1750 1 13 TYR H 1 13 TYR HB2 2.788 2.459 3.118 2.482 2.447 2.549 0.012 7 0 "[ . 1]" 1
1751 1 17 ASP H 1 17 ASP HB3 3.598 2.999 4.198 3.848 3.220 3.983 . 0 0 "[ . 1]" 1
1752 1 17 ASP H 1 17 ASP HB2 3.774 3.116 4.432 3.215 2.985 3.989 0.131 3 0 "[ . 1]" 1
1753 1 20 TRP H 1 20 TRP HB3 3.263 2.776 3.751 3.647 3.630 3.663 . 0 0 "[ . 1]" 1
1754 1 20 TRP H 1 20 TRP HB2 2.769 2.446 3.092 2.487 2.450 2.538 . 0 0 "[ . 1]" 1
1755 1 23 LEU HB2 1 24 SER H 3.186 2.724 3.649 3.841 3.743 4.075 0.427 9 0 "[ . 1]" 1
1756 2 11 GLN H 2 11 GLN HB3 3.219 2.746 3.693 3.484 3.244 3.722 0.030 8 0 "[ . 1]" 1
1757 2 11 GLN HB3 2 11 GLN HE21 4.001 3.267 4.734 3.882 3.019 4.420 0.248 9 0 "[ . 1]" 1
1758 2 13 TYR H 2 13 TYR HB3 3.448 2.899 3.997 3.639 3.601 3.669 . 0 0 "[ . 1]" 1
1759 2 13 TYR H 2 13 TYR HB2 2.788 2.459 3.118 2.484 2.426 2.528 0.033 2 0 "[ . 1]" 1
1760 2 17 ASP H 2 17 ASP HB3 3.598 2.999 4.198 3.769 3.176 3.985 . 0 0 "[ . 1]" 1
1761 2 17 ASP H 2 17 ASP HB2 3.774 3.116 4.432 3.233 3.024 4.004 0.092 9 0 "[ . 1]" 1
1762 2 20 TRP H 2 20 TRP HB3 3.263 2.776 3.751 3.646 3.627 3.689 . 0 0 "[ . 1]" 1
1763 2 20 TRP H 2 20 TRP HB2 2.769 2.446 3.092 2.478 2.424 2.550 0.022 2 0 "[ . 1]" 1
1764 2 23 LEU HB2 2 24 SER H 3.186 2.724 3.649 3.841 3.654 3.929 0.280 2 0 "[ . 1]" 1
1765 3 11 GLN H 3 11 GLN QB 3.219 2.746 3.693 2.385 2.231 2.646 0.515 6 1 "[ .+ 1]" 1
1766 3 11 GLN QB 3 11 GLN HE21 4.001 3.267 4.734 3.310 2.672 3.872 0.595 1 2 "[+ - 1]" 1
1767 3 13 TYR H 3 13 TYR HB3 3.448 2.899 3.997 3.643 3.618 3.681 . 0 0 "[ . 1]" 1
1768 3 13 TYR H 3 13 TYR HB2 2.788 2.459 3.118 2.481 2.445 2.555 0.013 3 0 "[ . 1]" 1
1769 3 17 ASP H 3 17 ASP HB3 3.598 2.999 4.198 3.754 3.223 4.033 . 0 0 "[ . 1]" 1
1770 3 17 ASP H 3 17 ASP HB2 3.774 3.116 4.432 3.332 3.011 4.018 0.105 6 0 "[ . 1]" 1
1771 3 20 TRP H 3 20 TRP HB3 3.263 2.776 3.751 3.650 3.623 3.669 . 0 0 "[ . 1]" 1
1772 3 20 TRP H 3 20 TRP HB2 2.769 2.446 3.092 2.478 2.434 2.506 0.012 8 0 "[ . 1]" 1
1773 3 23 LEU HB2 3 24 SER H 3.186 2.724 3.649 3.867 3.700 4.090 0.441 1 0 "[ . 1]" 1
1774 1 11 GLN HE22 1 11 GLN HG3 3.542 2.961 4.122 3.708 3.430 4.097 . 0 0 "[ . 1]" 1
1775 1 11 GLN HE21 1 11 GLN HG2 2.947 2.565 3.330 2.802 2.122 3.410 0.443 4 0 "[ . 1]" 1
1776 1 11 GLN HE22 1 11 GLN HG2 3.646 3.031 4.262 3.733 3.433 4.028 . 0 0 "[ . 1]" 1
1777 2 11 GLN HE21 2 11 GLN HG3 2.967 2.578 3.356 3.018 2.445 3.522 0.165 4 0 "[ . 1]" 1
1778 2 11 GLN HE22 2 11 GLN HG3 3.542 2.961 4.122 3.834 3.577 4.077 . 0 0 "[ . 1]" 1
1779 2 11 GLN HE21 2 11 GLN HG2 2.947 2.565 3.330 2.670 2.276 3.485 0.289 2 0 "[ . 1]" 1
1780 2 11 GLN HE22 2 11 GLN HG2 3.646 3.031 4.262 3.687 3.536 4.068 . 0 0 "[ . 1]" 1
1781 3 11 GLN HE21 3 11 GLN HG3 2.967 2.578 3.356 2.843 2.373 3.515 0.205 7 0 "[ . 1]" 1
1782 3 11 GLN HE22 3 11 GLN HG3 3.542 2.961 4.122 3.757 3.547 4.075 . 0 0 "[ . 1]" 1
1783 3 11 GLN HE21 3 11 GLN HG2 2.947 2.565 3.330 2.869 2.081 3.529 0.484 3 0 "[ . 1]" 1
1784 3 11 GLN HE22 3 11 GLN HG2 3.646 3.031 4.262 3.766 3.409 4.067 . 0 0 "[ . 1]" 1
1785 1 15 ARG HE 3 5 GLU HA 3.502 . 5.205 4.692 3.379 6.628 1.423 4 1 "[ +. 1]" 1
1786 1 15 ARG HE 1 15 ARG QH2 3.143 . 4.486 2.259 2.190 2.302 . 0 0 "[ . 1]" 1
1787 1 3 ILE HB 1 15 ARG HE 3.671 . 5.543 4.108 3.170 5.642 0.100 4 0 "[ . 1]" 1
1788 1 6 ALA MB 2 15 ARG HE 3.552 . 5.305 3.826 3.232 5.163 . 0 0 "[ . 1]" 1
1789 1 5 GLU HA 2 15 ARG HE 3.502 . 5.205 4.081 3.368 5.263 0.059 5 0 "[ . 1]" 1
1790 2 15 ARG HE 2 15 ARG QH2 3.143 . 4.486 2.248 2.214 2.295 . 0 0 "[ . 1]" 1
1791 1 5 GLU QG 2 15 ARG HE 3.348 . 4.896 3.829 3.197 4.971 0.075 5 0 "[ . 1]" 1
1792 2 3 ILE HB 2 15 ARG HE 3.671 . 5.543 3.210 2.284 3.847 . 0 0 "[ . 1]" 1
1793 2 6 ALA MB 3 15 ARG HE 3.552 . 5.305 3.722 2.938 5.187 . 0 0 "[ . 1]" 1
1794 2 5 GLU HA 3 15 ARG HE 3.502 . 5.205 4.624 3.726 6.396 1.191 7 1 "[ . + 1]" 1
1795 3 15 ARG HE 3 15 ARG QH2 3.143 . 4.486 2.263 2.218 2.298 . 0 0 "[ . 1]" 1
1796 3 3 ILE HB 3 15 ARG HE 3.671 . 5.543 3.668 2.502 5.635 0.092 7 0 "[ . 1]" 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 60
_Distance_constraint_stats_list.Viol_count 112
_Distance_constraint_stats_list.Viol_total 1075.929
_Distance_constraint_stats_list.Viol_max 3.702
_Distance_constraint_stats_list.Viol_rms 0.5618
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1793
_Distance_constraint_stats_list.Viol_average_violations_only 0.9607
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 GLU 7.824 3.524 10 2 "[ - . +]"
1 9 ASP 29.650 3.702 10 10 [****-****+]
1 11 GLN 29.650 3.702 10 10 [****-****+]
1 12 ALA 0.000 0.000 . 0 "[ . 1]"
1 13 TYR 0.000 0.000 . 0 "[ . 1]"
1 14 VAL 0.000 0.000 . 0 "[ . 1]"
1 15 ARG 4.491 1.768 2 2 "[ + . -]"
1 16 LYS 0.000 0.000 . 0 "[ . 1]"
1 17 ASP 1.263 0.616 10 1 "[ . +]"
1 19 GLU 0.000 0.000 . 0 "[ . 1]"
1 21 VAL 0.000 0.000 . 0 "[ . 1]"
1 23 LEU 0.000 0.000 . 0 "[ . 1]"
1 24 SER 0.000 0.000 . 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
2 5 GLU 8.004 3.130 10 2 "[ - . +]"
2 9 ASP 27.378 3.680 10 10 [*****-***+]
2 11 GLN 27.378 3.680 10 10 [*****-***+]
2 12 ALA 0.000 0.000 . 0 "[ . 1]"
2 13 TYR 0.000 0.000 . 0 "[ . 1]"
2 14 VAL 0.000 0.000 . 0 "[ . 1]"
2 15 ARG 7.824 3.524 10 2 "[ - . +]"
2 16 LYS 0.000 0.000 . 0 "[ . 1]"
2 17 ASP 1.837 0.957 10 2 "[ - . +]"
2 19 GLU 0.000 0.000 . 0 "[ . 1]"
2 21 VAL 0.000 0.000 . 0 "[ . 1]"
2 23 LEU 0.000 0.000 . 0 "[ . 1]"
2 24 SER 0.000 0.000 . 0 "[ . 1]"
2 27 LEU 0.000 0.000 . 0 "[ . 1]"
3 5 GLU 4.491 1.768 2 2 "[ + . -]"
3 9 ASP 25.855 3.475 2 10 [*+******-*]
3 11 GLN 25.855 3.475 2 10 [*+******-*]
3 12 ALA 0.000 0.000 . 0 "[ . 1]"
3 13 TYR 0.000 0.000 . 0 "[ . 1]"
3 14 VAL 0.000 0.000 . 0 "[ . 1]"
3 15 ARG 8.004 3.130 10 2 "[ - . +]"
3 16 LYS 0.000 0.000 . 0 "[ . 1]"
3 17 ASP 1.291 0.714 10 1 "[ . +]"
3 19 GLU 0.000 0.000 . 0 "[ . 1]"
3 21 VAL 0.000 0.000 . 0 "[ . 1]"
3 23 LEU 0.000 0.000 . 0 "[ . 1]"
3 24 SER 0.000 0.000 . 0 "[ . 1]"
3 27 LEU 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 VAL O 1 21 VAL H 2.000 . 2.500 1.979 1.845 2.135 . 0 0 "[ . 1]" 2
2 1 14 VAL O 1 21 VAL N 3.000 2.300 3.500 2.941 2.823 3.078 . 0 0 "[ . 1]" 2
3 1 14 VAL H 1 21 VAL O 2.000 . 2.500 1.665 1.602 1.777 . 0 0 "[ . 1]" 2
4 1 14 VAL N 1 21 VAL O 3.000 2.300 3.500 2.551 2.488 2.635 . 0 0 "[ . 1]" 2
5 1 12 ALA O 1 23 LEU H 2.000 . 2.500 1.702 1.593 1.810 . 0 0 "[ . 1]" 2
6 1 12 ALA O 1 23 LEU N 3.000 2.300 3.500 2.668 2.568 2.783 . 0 0 "[ . 1]" 2
7 1 16 LYS O 1 19 GLU H 2.000 . 2.500 2.137 1.839 2.273 . 0 0 "[ . 1]" 2
8 1 16 LYS O 1 19 GLU N 3.000 2.300 3.500 3.049 2.776 3.161 . 0 0 "[ . 1]" 2
9 1 16 LYS H 1 19 GLU O 2.000 . 2.500 2.158 2.087 2.200 . 0 0 "[ . 1]" 2
10 1 16 LYS N 1 19 GLU O 3.000 2.300 3.500 3.124 3.052 3.168 . 0 0 "[ . 1]" 2
11 1 24 SER O 1 27 LEU H 2.000 . 2.500 2.163 1.980 2.477 . 0 0 "[ . 1]" 2
12 1 24 SER O 1 27 LEU N 3.000 2.300 3.500 3.061 2.902 3.280 . 0 0 "[ . 1]" 2
13 2 14 VAL O 2 21 VAL H 2.000 . 2.500 2.010 1.894 2.267 . 0 0 "[ . 1]" 2
14 2 14 VAL O 2 21 VAL N 3.000 2.300 3.500 2.964 2.844 3.220 . 0 0 "[ . 1]" 2
15 2 14 VAL H 2 21 VAL O 2.000 . 2.500 1.671 1.592 1.771 . 0 0 "[ . 1]" 2
16 2 14 VAL N 2 21 VAL O 3.000 2.300 3.500 2.561 2.480 2.681 . 0 0 "[ . 1]" 2
17 2 12 ALA O 2 23 LEU H 2.000 . 2.500 1.740 1.659 1.847 . 0 0 "[ . 1]" 2
18 2 12 ALA O 2 23 LEU N 3.000 2.300 3.500 2.709 2.633 2.822 . 0 0 "[ . 1]" 2
19 2 16 LYS O 2 19 GLU H 2.000 . 2.500 2.100 1.878 2.182 . 0 0 "[ . 1]" 2
20 2 16 LYS O 2 19 GLU N 3.000 2.300 3.500 3.018 2.794 3.092 . 0 0 "[ . 1]" 2
21 2 16 LYS H 2 19 GLU O 2.000 . 2.500 2.149 2.069 2.264 . 0 0 "[ . 1]" 2
22 2 16 LYS N 2 19 GLU O 3.000 2.300 3.500 3.117 3.041 3.239 . 0 0 "[ . 1]" 2
23 2 24 SER O 2 27 LEU H 2.000 . 2.500 2.227 2.025 2.377 . 0 0 "[ . 1]" 2
24 2 24 SER O 2 27 LEU N 3.000 2.300 3.500 3.095 2.870 3.205 . 0 0 "[ . 1]" 2
25 3 14 VAL O 3 21 VAL H 2.000 . 2.500 1.972 1.812 2.067 . 0 0 "[ . 1]" 2
26 3 14 VAL O 3 21 VAL N 3.000 2.300 3.500 2.936 2.775 3.027 . 0 0 "[ . 1]" 2
27 3 14 VAL H 3 21 VAL O 2.000 . 2.500 1.702 1.619 1.828 . 0 0 "[ . 1]" 2
28 3 14 VAL N 3 21 VAL O 3.000 2.300 3.500 2.571 2.502 2.635 . 0 0 "[ . 1]" 2
29 3 12 ALA O 3 23 LEU H 2.000 . 2.500 1.726 1.553 1.897 . 0 0 "[ . 1]" 2
30 3 12 ALA O 3 23 LEU N 3.000 2.300 3.500 2.694 2.521 2.848 . 0 0 "[ . 1]" 2
31 3 16 LYS O 3 19 GLU H 2.000 . 2.500 2.105 1.921 2.266 . 0 0 "[ . 1]" 2
32 3 16 LYS O 3 19 GLU N 3.000 2.300 3.500 3.017 2.865 3.161 . 0 0 "[ . 1]" 2
33 3 16 LYS H 3 19 GLU O 2.000 . 2.500 2.160 1.991 2.239 . 0 0 "[ . 1]" 2
34 3 16 LYS N 3 19 GLU O 3.000 2.300 3.500 3.131 2.966 3.211 . 0 0 "[ . 1]" 2
35 3 24 SER O 3 27 LEU H 2.000 . 2.500 2.155 1.939 2.332 . 0 0 "[ . 1]" 2
36 3 24 SER O 3 27 LEU N 3.000 2.300 3.500 3.053 2.863 3.224 . 0 0 "[ . 1]" 2
37 1 9 ASP OD2 1 11 GLN H 2.000 . 2.700 4.391 3.591 6.402 3.702 10 10 [***-*****+] 2
38 1 9 ASP OD2 1 11 GLN N 3.000 2.300 3.700 4.974 4.132 7.067 3.367 10 9 "[*** -****+]" 2
39 2 9 ASP OD2 2 11 GLN H 2.000 . 2.700 4.287 3.493 6.380 3.680 10 10 [-********+] 2
40 2 9 ASP OD2 2 11 GLN N 3.000 2.300 3.700 4.851 4.048 6.926 3.226 10 9 "[ ****-***+]" 2
41 3 9 ASP OD2 3 11 GLN H 2.000 . 2.700 4.191 3.314 6.175 3.475 2 10 [*+*******-] 2
42 3 9 ASP OD2 3 11 GLN N 3.000 2.300 3.700 4.794 3.720 6.891 3.191 2 8 "[*+* ****-1]" 2
43 1 5 GLU OE2 2 15 ARG CZ 2.000 . 2.700 3.482 2.845 6.224 3.524 10 2 "[ - . +]" 2
44 2 5 GLU OE2 3 15 ARG CZ 2.000 . 2.700 3.500 2.796 5.830 3.130 10 2 "[ - . +]" 2
45 1 15 ARG CZ 3 5 GLU OE2 2.000 . 2.700 3.149 2.767 4.468 1.768 2 2 "[ + . -]" 2
46 1 13 TYR O 2 15 ARG H 2.000 . 2.500 1.888 1.678 2.265 . 0 0 "[ . 1]" 2
47 1 13 TYR O 2 15 ARG N 3.000 2.300 3.500 2.857 2.640 3.226 . 0 0 "[ . 1]" 2
48 2 13 TYR O 3 15 ARG H 2.000 . 2.500 1.846 1.729 2.007 . 0 0 "[ . 1]" 2
49 2 13 TYR O 3 15 ARG N 3.000 2.300 3.500 2.791 2.702 2.987 . 0 0 "[ . 1]" 2
50 1 15 ARG H 3 13 TYR O 2.000 . 2.500 1.871 1.726 2.035 . 0 0 "[ . 1]" 2
51 1 15 ARG N 3 13 TYR O 3.000 2.300 3.500 2.838 2.705 3.004 . 0 0 "[ . 1]" 2
52 1 13 TYR H 2 15 ARG O 2.000 . 2.500 1.868 1.614 2.345 . 0 0 "[ . 1]" 2
53 1 13 TYR N 2 15 ARG O 3.000 2.300 3.500 2.664 2.440 3.052 . 0 0 "[ . 1]" 2
54 2 13 TYR H 3 15 ARG O 2.000 . 2.500 1.809 1.635 1.982 . 0 0 "[ . 1]" 2
55 2 13 TYR N 3 15 ARG O 3.000 2.300 3.500 2.607 2.508 2.778 . 0 0 "[ . 1]" 2
56 1 15 ARG O 3 13 TYR H 2.000 . 2.500 1.826 1.708 2.087 . 0 0 "[ . 1]" 2
57 1 15 ARG O 3 13 TYR N 3.000 2.300 3.500 2.622 2.542 2.889 . 0 0 "[ . 1]" 2
58 1 17 ASP H 1 17 ASP OD1 3.000 2.500 3.500 3.540 2.693 4.116 0.616 10 1 "[ . +]" 2
59 2 17 ASP H 2 17 ASP OD1 3.000 2.500 3.500 3.677 3.436 4.457 0.957 10 2 "[ - . +]" 2
60 3 17 ASP H 3 17 ASP OD1 3.000 2.500 3.500 3.580 3.201 4.214 0.714 10 1 "[ . +]" 2
stop_
save_
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