NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560111 |
2m4g   |
19002 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m4g
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 1120
_Distance_constraint_stats_list.Viol_count 2456
_Distance_constraint_stats_list.Viol_total 4755.528
_Distance_constraint_stats_list.Viol_max 0.915
_Distance_constraint_stats_list.Viol_rms 0.0499
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0106
_Distance_constraint_stats_list.Viol_average_violations_only 0.0968
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ARG 7.596 0.780 10 4 "[- **. + . 2]"
1 3 PRO 10.589 0.915 18 5 "[- **. * . + 2]"
1 4 GLY 1.205 0.220 11 0 "[ . 1 . 2]"
1 5 VAL 4.285 0.915 18 1 "[ . 1 . + 2]"
1 6 PHE 7.172 0.622 19 2 "[ . 1 .- +2]"
1 7 ARG 10.596 0.643 20 3 "[ . 1 .- *+]"
1 8 THR 4.611 0.643 20 1 "[ . 1 . +]"
1 9 ARG 10.463 0.643 20 1 "[ . 1 . +]"
1 10 GLY 4.724 0.220 11 0 "[ . 1 . 2]"
1 11 LEU 15.696 0.643 20 1 "[ . 1 . +]"
1 12 THR 3.547 0.195 6 0 "[ . 1 . 2]"
1 13 ASP 10.122 0.608 4 8 "[*- +* **1 *. *2]"
1 14 GLU 7.719 0.608 4 8 "[*- +* **1 *. *2]"
1 15 GLU 12.828 0.253 2 0 "[ . 1 . 2]"
1 16 TYR 17.790 0.610 19 4 "[ . * .- +*]"
1 17 ASP 9.105 0.365 13 0 "[ . 1 . 2]"
1 18 GLU 8.172 0.776 8 3 "[ . +-1 * 2]"
1 19 PHE 20.426 0.696 18 1 "[ . 1 . + 2]"
1 20 LYS 18.558 0.610 19 4 "[ . * .- +*]"
1 21 LYS 10.399 0.892 13 7 "[ . **1* + ** -2]"
1 22 ARG 8.813 0.892 13 4 "[ . 1* + .* -2]"
1 23 ARG 16.966 0.617 7 2 "[ . + 1 - 2]"
1 24 GLU 4.603 0.615 11 4 "[ . 1+ * .* -2]"
1 25 SER 10.346 0.892 13 4 "[ . 1* + .* *2]"
1 26 ARG 14.352 0.714 16 4 "[ . 1* * .+ -2]"
1 27 GLY 0.293 0.092 6 0 "[ . 1 . 2]"
1 28 GLY 1.313 0.114 17 0 "[ . 1 . 2]"
1 29 LYS 4.279 0.617 7 2 "[ . + 1 - 2]"
1 30 TYR 20.916 0.620 5 8 "[ *+ ***1 * . *- 2]"
1 31 SER 15.956 0.696 18 4 "[ . * 1 - . *+ 2]"
1 32 ILE 21.658 0.346 18 0 "[ . 1 . 2]"
1 33 ASP 20.294 0.870 9 6 "[ * * *+1 - . * 2]"
1 34 ASP 23.147 0.870 9 10 "[ *** **+1 ** . *- 2]"
1 35 TYR 19.887 0.253 2 0 "[ . 1 . 2]"
1 36 LEU 17.110 0.353 16 0 "[ . 1 . 2]"
1 37 ALA 7.417 0.870 9 5 "[ - * *+1 . * 2]"
1 38 ASP 1.999 0.174 20 0 "[ . 1 . 2]"
1 39 ARG 17.332 0.252 8 0 "[ . 1 . 2]"
1 40 GLU 2.989 0.226 19 0 "[ . 1 . 2]"
1 41 ARG 8.732 0.358 6 0 "[ . 1 . 2]"
1 42 GLU 3.636 0.226 19 0 "[ . 1 . 2]"
1 43 GLU 3.913 0.430 3 0 "[ . 1 . 2]"
1 44 GLU 4.266 0.430 3 0 "[ . 1 . 2]"
1 45 LEU 3.804 0.406 2 0 "[ . 1 . 2]"
1 46 LEU 2.552 0.862 18 1 "[ . 1 . + 2]"
1 47 GLU 4.117 0.461 15 0 "[ . 1 . 2]"
1 48 ARG 6.002 0.678 16 1 "[ . 1 .+ 2]"
1 49 ASP 0.992 0.102 8 0 "[ . 1 . 2]"
1 50 GLU 1.376 0.359 20 0 "[ . 1 . 2]"
1 51 GLU 4.323 0.570 4 1 "[ +. 1 . 2]"
1 52 GLU 1.534 0.141 11 0 "[ . 1 . 2]"
1 53 ALA 3.120 0.135 16 0 "[ . 1 . 2]"
1 54 ILE 10.512 0.678 16 2 "[ . 1 .+ *2]"
1 55 PHE 8.337 0.622 19 2 "[ . 1 .- +2]"
1 56 GLY 0.370 0.241 1 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.370 0.241 1 0 "[ . 1 . 2]"
1 59 PHE 4.053 0.617 7 2 "[ . + 1 - 2]"
1 60 GLY 0.244 0.098 14 0 "[ . 1 . 2]"
1 61 LEU 4.881 0.720 20 4 "[ . * 1 .- * +]"
1 62 LYS 2.407 0.617 7 2 "[ . + 1 - 2]"
1 63 ALA 0.545 0.089 6 0 "[ . 1 . 2]"
1 64 THR 4.310 0.855 18 3 "[ . * 1 . + -]"
1 65 ARG 5.396 0.855 18 3 "[ . * 1 . + -]"
1 66 ARG 4.367 0.523 4 1 "[ +. 1 . 2]"
1 67 SER 2.718 0.523 4 1 "[ +. 1 . 2]"
1 68 ARG 4.856 0.617 7 3 "[ -. + 1 * 2]"
1 69 LYS 3.951 0.617 7 3 "[ -. + 1 * 2]"
1 70 ALA 0.380 0.096 5 0 "[ . 1 . 2]"
1 71 GLU 2.314 0.461 15 0 "[ . 1 . 2]"
1 72 ARG 4.885 0.617 7 2 "[ . + 1 - 2]"
1 73 ALA 0.077 0.041 17 0 "[ . 1 . 2]"
1 74 LYS 2.289 0.617 7 2 "[ . + 1 - 2]"
1 75 LEU 4.493 0.862 18 4 "[ . * 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 H1 1 1 GLY HA2 2.895 . 3.942 2.373 2.095 2.639 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 ARG HA 2.993 . 4.113 3.201 3.141 3.274 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 2 ARG QG 2.981 . 4.092 3.028 2.477 3.621 . 0 0 "[ . 1 . 2]" 1
4 1 2 ARG H 1 2 ARG QG 2.640 . 3.511 2.529 1.874 3.561 0.050 10 0 "[ . 1 . 2]" 1
5 1 2 ARG H 1 3 PRO QG 2.973 . 4.078 3.753 2.654 4.437 0.359 20 0 "[ . 1 . 2]" 1
6 1 2 ARG HA 1 2 ARG QD 3.208 . 4.494 3.690 1.905 4.525 0.031 19 0 "[ . 1 . 2]" 1
7 1 2 ARG HA 1 2 ARG QG 2.738 . 3.675 2.888 2.281 3.486 . 0 0 "[ . 1 . 2]" 1
8 1 2 ARG HA 1 3 PRO HD2 2.532 . 3.333 2.743 2.211 3.209 . 0 0 "[ . 1 . 2]" 1
9 1 2 ARG HA 1 3 PRO HD3 2.240 . 2.867 1.993 1.815 2.350 . 0 0 "[ . 1 . 2]" 1
10 1 2 ARG HA 1 3 PRO QG 3.655 . 5.325 3.813 3.571 4.171 . 0 0 "[ . 1 . 2]" 1
11 1 2 ARG HA 1 3 PRO QG 2.947 . 4.033 3.737 3.541 4.001 . 0 0 "[ . 1 . 2]" 1
12 1 2 ARG HB2 1 2 ARG HB3 1.477 . 1.750 1.592 1.561 1.639 . 0 0 "[ . 1 . 2]" 1
13 1 2 ARG HB2 1 2 ARG QD 2.312 . 2.980 2.386 2.099 2.948 . 0 0 "[ . 1 . 2]" 1
14 1 2 ARG HB2 1 3 PRO HD3 3.048 . 4.209 3.273 2.637 4.079 . 0 0 "[ . 1 . 2]" 1
15 1 2 ARG HB2 1 3 PRO HD3 3.217 . 4.511 3.864 2.669 4.770 0.259 2 0 "[ . 1 . 2]" 1
16 1 2 ARG HB3 1 2 ARG QD 2.010 . 2.515 1.915 1.787 2.054 . 0 0 "[ . 1 . 2]" 1
17 1 2 ARG HB3 1 2 ARG QD 1.996 . 2.494 2.298 2.111 2.740 0.246 9 0 "[ . 1 . 2]" 1
18 1 2 ARG HB3 1 3 PRO HD2 2.796 . 3.774 3.411 2.089 4.554 0.780 10 4 "[- **. + . 2]" 1
19 1 2 ARG HB3 1 3 PRO HD3 3.204 . 4.487 3.867 3.110 4.589 0.102 3 0 "[ . 1 . 2]" 1
20 1 2 ARG QD 1 2 ARG QG 1.820 . 2.234 1.826 1.782 1.861 . 0 0 "[ . 1 . 2]" 1
21 1 2 ARG QD 1 3 PRO HA 3.327 . 4.710 4.634 3.574 5.024 0.314 12 0 "[ . 1 . 2]" 1
22 1 2 ARG QG 1 3 PRO HD2 2.756 . 3.705 3.459 1.952 3.961 0.256 20 0 "[ . 1 . 2]" 1
23 1 3 PRO HA 1 3 PRO HB2 2.362 . 3.059 2.807 2.630 2.975 . 0 0 "[ . 1 . 2]" 1
24 1 3 PRO HA 1 3 PRO HB3 1.999 . 2.499 2.283 2.253 2.318 . 0 0 "[ . 1 . 2]" 1
25 1 3 PRO HA 1 3 PRO HD2 3.195 . 4.471 3.975 3.881 4.100 . 0 0 "[ . 1 . 2]" 1
26 1 3 PRO HA 1 3 PRO HD3 3.068 . 4.245 3.836 3.672 3.965 . 0 0 "[ . 1 . 2]" 1
27 1 3 PRO HA 1 3 PRO QG 2.609 . 3.460 3.302 2.924 3.530 0.070 17 0 "[ . 1 . 2]" 1
28 1 3 PRO HA 1 4 GLY H 2.898 . 3.948 2.648 2.144 3.555 . 0 0 "[ . 1 . 2]" 1
29 1 3 PRO HA 1 4 GLY QA 3.398 . 4.841 4.098 3.880 4.486 . 0 0 "[ . 1 . 2]" 1
30 1 3 PRO HB2 1 3 PRO HD2 2.824 . 3.821 3.448 2.917 4.045 0.224 16 0 "[ . 1 . 2]" 1
31 1 3 PRO HB2 1 3 PRO HD3 2.564 . 3.386 2.396 2.373 2.414 . 0 0 "[ . 1 . 2]" 1
32 1 3 PRO HB2 1 6 PHE HA 3.574 . 5.170 4.738 4.204 5.311 0.141 11 0 "[ . 1 . 2]" 1
33 1 3 PRO HB3 1 3 PRO HD2 3.113 . 4.324 3.891 3.840 3.938 . 0 0 "[ . 1 . 2]" 1
34 1 3 PRO HB3 1 3 PRO HD3 2.956 . 4.048 3.629 2.945 4.052 0.004 13 0 "[ . 1 . 2]" 1
35 1 3 PRO HB3 1 3 PRO QG 2.360 . 3.056 2.202 2.172 2.261 . 0 0 "[ . 1 . 2]" 1
36 1 3 PRO HB3 1 5 VAL QG 3.322 . 4.701 4.398 2.703 5.616 0.915 18 1 "[ . 1 . + 2]" 1
37 1 3 PRO HD2 1 3 PRO QG 2.285 . 2.938 2.214 2.163 2.257 . 0 0 "[ . 1 . 2]" 1
38 1 3 PRO HD3 1 3 PRO QG 2.223 . 2.841 2.192 2.176 2.229 . 0 0 "[ . 1 . 2]" 1
39 1 3 PRO HD3 1 3 PRO HG2 2.560 . 3.379 2.530 2.387 2.630 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLY QA 1 5 VAL H 2.605 . 3.454 2.685 2.109 2.916 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLY QA 1 5 VAL QG 3.018 . 4.156 3.649 3.226 4.041 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLY QA 1 5 VAL QG 2.600 . 3.445 3.433 3.126 3.665 0.220 11 0 "[ . 1 . 2]" 1
43 1 4 GLY QA 1 7 ARG QD 2.381 . 3.089 2.832 1.973 3.159 0.070 15 0 "[ . 1 . 2]" 1
44 1 5 VAL H 1 5 VAL HB 2.853 . 3.871 3.370 2.596 3.677 . 0 0 "[ . 1 . 2]" 1
45 1 5 VAL HA 1 5 VAL HB 2.147 . 2.723 2.450 2.378 2.505 . 0 0 "[ . 1 . 2]" 1
46 1 5 VAL HA 1 5 VAL QG 1.975 . 2.463 2.304 2.240 2.393 . 0 0 "[ . 1 . 2]" 1
47 1 5 VAL HB 1 5 VAL QG 1.998 . 2.497 1.896 1.893 1.900 . 0 0 "[ . 1 . 2]" 1
48 1 5 VAL QG 1 7 ARG HA 3.705 . 5.421 5.436 5.080 5.592 0.171 1 0 "[ . 1 . 2]" 1
49 1 5 VAL QG 1 6 PHE H 3.489 . 5.011 2.255 1.928 2.810 0.039 20 0 "[ . 1 . 2]" 1
50 1 5 VAL QG 1 6 PHE HA 3.344 . 4.742 3.728 3.188 3.999 . 0 0 "[ . 1 . 2]" 1
51 1 5 VAL QG 1 6 PHE HA 2.750 . 3.695 3.213 2.275 3.829 0.134 13 0 "[ . 1 . 2]" 1
52 1 5 VAL QG 1 6 PHE HB2 3.028 . 4.174 2.707 2.322 3.811 . 0 0 "[ . 1 . 2]" 1
53 1 5 VAL QG 1 6 PHE HB3 2.735 . 3.670 3.203 2.669 3.565 . 0 0 "[ . 1 . 2]" 1
54 1 5 VAL QG 1 6 PHE QD 3.107 . 4.314 3.998 2.174 4.361 0.047 19 0 "[ . 1 . 2]" 1
55 1 6 PHE HA 1 6 PHE HB3 2.369 . 3.070 2.984 2.378 3.032 . 0 0 "[ . 1 . 2]" 1
56 1 6 PHE HA 1 6 PHE HB3 2.128 . 2.694 2.134 2.039 2.197 . 0 0 "[ . 1 . 2]" 1
57 1 6 PHE HA 1 6 PHE QD 2.256 . 2.892 2.686 2.266 3.270 0.378 17 0 "[ . 1 . 2]" 1
58 1 6 PHE HA 1 7 ARG HB3 2.953 . 4.043 4.197 3.924 4.665 0.622 19 2 "[ . 1 .- +2]" 1
59 1 6 PHE HB2 1 6 PHE QD 2.268 . 2.911 2.001 1.930 2.130 . 0 0 "[ . 1 . 2]" 1
60 1 6 PHE HB2 1 7 ARG HA 3.625 . 5.268 2.918 2.129 4.944 . 0 0 "[ . 1 . 2]" 1
61 1 6 PHE HB3 1 6 PHE QD 2.259 . 2.897 2.109 2.047 2.241 . 0 0 "[ . 1 . 2]" 1
62 1 6 PHE HB3 1 7 ARG H 3.266 . 4.599 3.024 1.769 3.865 0.164 11 0 "[ . 1 . 2]" 1
63 1 6 PHE QD 1 7 ARG HA 3.210 . 4.498 2.979 2.461 3.872 . 0 0 "[ . 1 . 2]" 1
64 1 6 PHE QD 1 7 ARG HA 3.402 . 4.849 4.142 3.016 4.872 0.023 12 0 "[ . 1 . 2]" 1
65 1 6 PHE QD 1 8 THR MG 3.239 . 4.550 4.091 2.277 4.752 0.202 19 0 "[ . 1 . 2]" 1
66 1 6 PHE QD 1 32 ILE MG 3.055 . 4.221 3.515 2.073 4.411 0.190 15 0 "[ . 1 . 2]" 1
67 1 6 PHE QD 1 36 LEU MD1 3.038 . 4.192 3.802 2.554 4.313 0.121 4 0 "[ . 1 . 2]" 1
68 1 7 ARG H 1 7 ARG QB 2.981 . 4.092 2.559 2.124 3.353 . 0 0 "[ . 1 . 2]" 1
69 1 7 ARG H 1 7 ARG QG 3.184 . 4.452 3.392 2.298 4.491 0.039 12 0 "[ . 1 . 2]" 1
70 1 7 ARG HA 1 7 ARG HB2 1.964 . 2.446 1.874 1.769 1.987 . 0 0 "[ . 1 . 2]" 1
71 1 7 ARG HA 1 7 ARG HB2 1.796 . 2.199 1.958 1.878 2.087 . 0 0 "[ . 1 . 2]" 1
72 1 7 ARG HA 1 7 ARG HB2 2.366 . 3.066 2.281 2.060 2.516 . 0 0 "[ . 1 . 2]" 1
73 1 7 ARG HA 1 7 ARG HB3 1.918 . 2.378 1.963 1.834 2.072 . 0 0 "[ . 1 . 2]" 1
74 1 7 ARG HA 1 7 ARG QD 2.096 . 2.645 2.164 1.906 2.889 0.244 1 0 "[ . 1 . 2]" 1
75 1 7 ARG HA 1 7 ARG QG 2.305 . 2.969 2.790 2.353 3.024 0.055 11 0 "[ . 1 . 2]" 1
76 1 7 ARG HA 1 32 ILE MD 3.466 . 4.967 4.912 4.496 5.200 0.233 5 0 "[ . 1 . 2]" 1
77 1 7 ARG HA 1 32 ILE MD 3.365 . 4.780 4.610 4.314 4.796 0.016 5 0 "[ . 1 . 2]" 1
78 1 7 ARG HA 1 32 ILE MG 2.735 . 3.670 2.660 1.814 2.889 . 0 0 "[ . 1 . 2]" 1
79 1 7 ARG QB 1 7 ARG QG 1.928 . 2.393 1.998 1.985 2.011 . 0 0 "[ . 1 . 2]" 1
80 1 7 ARG QB 1 8 THR H 3.314 . 4.687 3.192 1.895 4.034 0.046 19 0 "[ . 1 . 2]" 1
81 1 7 ARG QB 1 8 THR HA 2.908 . 3.965 3.912 3.630 4.608 0.643 20 1 "[ . 1 . +]" 1
82 1 7 ARG QB 1 32 ILE MG 2.916 . 3.979 2.953 1.909 3.791 . 0 0 "[ . 1 . 2]" 1
83 1 7 ARG HB2 1 7 ARG QD 2.567 . 3.391 2.321 2.122 2.482 . 0 0 "[ . 1 . 2]" 1
84 1 7 ARG QD 1 7 ARG QG 2.057 . 2.586 2.039 1.985 2.091 . 0 0 "[ . 1 . 2]" 1
85 1 7 ARG QD 1 32 ILE MD 3.589 . 5.199 4.895 4.310 5.218 0.019 15 0 "[ . 1 . 2]" 1
86 1 7 ARG QD 1 32 ILE MG 2.997 . 4.120 3.762 3.081 4.151 0.031 5 0 "[ . 1 . 2]" 1
87 1 7 ARG QD 1 32 ILE HB 3.211 . 4.499 4.510 3.464 4.702 0.203 7 0 "[ . 1 . 2]" 1
88 1 8 THR HA 1 8 THR MG 1.827 . 2.244 1.938 1.907 2.011 . 0 0 "[ . 1 . 2]" 1
89 1 8 THR HA 1 11 LEU MD1 2.512 . 3.300 3.114 2.262 3.368 0.068 19 0 "[ . 1 . 2]" 1
90 1 8 THR HA 1 8 THR MG 1.939 . 2.409 2.233 2.144 2.485 0.076 20 0 "[ . 1 . 2]" 1
91 1 8 THR HA 1 11 LEU HB2 3.035 . 4.186 3.391 2.981 3.949 . 0 0 "[ . 1 . 2]" 1
92 1 8 THR HA 1 11 LEU HB2 2.933 . 4.008 3.315 2.986 3.770 . 0 0 "[ . 1 . 2]" 1
93 1 8 THR HA 1 32 ILE MD 3.165 . 4.417 2.724 2.144 3.680 . 0 0 "[ . 1 . 2]" 1
94 1 8 THR HB 1 8 THR MG 1.879 . 2.321 2.131 2.124 2.136 . 0 0 "[ . 1 . 2]" 1
95 1 8 THR HB 1 9 ARG HB2 3.061 . 4.232 3.882 3.210 4.414 0.182 9 0 "[ . 1 . 2]" 1
96 1 8 THR HB 1 11 LEU HB2 2.867 . 3.895 2.725 1.901 3.375 . 0 0 "[ . 1 . 2]" 1
97 1 8 THR HB 1 11 LEU HB3 2.897 . 3.946 3.334 2.987 3.601 . 0 0 "[ . 1 . 2]" 1
98 1 8 THR HB 1 11 LEU QD 2.892 . 3.937 3.531 2.234 3.958 0.021 3 0 "[ . 1 . 2]" 1
99 1 8 THR MG 1 10 GLY QA 3.440 . 4.919 4.985 4.855 5.098 0.179 18 0 "[ . 1 . 2]" 1
100 1 8 THR MG 1 10 GLY QA 4.035 . 6.070 4.466 2.361 5.094 . 0 0 "[ . 1 . 2]" 1
101 1 8 THR MG 1 16 TYR QD 3.402 . 4.848 2.960 2.062 4.300 . 0 0 "[ . 1 . 2]" 1
102 1 8 THR MG 1 16 TYR QE 3.198 . 4.477 3.360 2.652 4.491 0.014 3 0 "[ . 1 . 2]" 1
103 1 8 THR MG 1 19 PHE QD 3.052 . 4.217 3.752 3.441 4.000 . 0 0 "[ . 1 . 2]" 1
104 1 8 THR MG 1 19 PHE HE2 3.172 . 4.429 3.849 3.505 4.085 . 0 0 "[ . 1 . 2]" 1
105 1 9 ARG H 1 9 ARG HB2 3.068 . 4.245 3.189 2.417 3.668 . 0 0 "[ . 1 . 2]" 1
106 1 9 ARG H 1 10 GLY H 3.380 . 4.808 3.215 2.540 3.842 . 0 0 "[ . 1 . 2]" 1
107 1 9 ARG HA 1 9 ARG HB2 2.493 . 3.270 2.493 2.378 3.019 . 0 0 "[ . 1 . 2]" 1
108 1 9 ARG HA 1 9 ARG HB3 1.921 . 2.382 2.014 1.907 2.165 . 0 0 "[ . 1 . 2]" 1
109 1 9 ARG HA 1 9 ARG QG 1.822 . 2.237 2.024 1.936 2.207 . 0 0 "[ . 1 . 2]" 1
110 1 9 ARG HA 1 9 ARG QG 2.021 . 2.532 1.988 1.854 2.395 . 0 0 "[ . 1 . 2]" 1
111 1 9 ARG HA 1 9 ARG HG2 2.038 . 2.557 2.136 1.961 2.595 0.038 20 0 "[ . 1 . 2]" 1
112 1 9 ARG HA 1 9 ARG HG3 2.080 . 2.621 1.793 1.720 1.964 . 0 0 "[ . 1 . 2]" 1
113 1 9 ARG HA 1 36 LEU MD2 2.822 . 3.817 3.964 3.801 4.103 0.286 16 0 "[ . 1 . 2]" 1
114 1 9 ARG HA 1 39 ARG HD3 2.857 . 3.877 3.284 2.226 3.995 0.118 18 0 "[ . 1 . 2]" 1
115 1 9 ARG HB2 1 36 LEU QD 2.830 . 3.831 2.591 1.991 4.184 0.353 16 0 "[ . 1 . 2]" 1
116 1 9 ARG HB3 1 9 ARG QD 2.257 . 2.893 2.428 2.213 2.846 . 0 0 "[ . 1 . 2]" 1
117 1 9 ARG HB3 1 9 ARG HG2 2.023 . 2.534 2.249 2.125 2.420 . 0 0 "[ . 1 . 2]" 1
118 1 9 ARG HB3 1 36 LEU QD 2.820 . 3.814 2.016 1.721 2.716 0.105 8 0 "[ . 1 . 2]" 1
119 1 9 ARG QD 1 40 GLU QB 3.108 . 4.315 3.397 2.113 3.981 . 0 0 "[ . 1 . 2]" 1
120 1 9 ARG QD 1 36 LEU MD1 2.692 . 3.598 2.897 2.120 3.629 0.031 1 0 "[ . 1 . 2]" 1
121 1 9 ARG QD 1 36 LEU MD2 2.370 . 3.072 1.892 1.749 2.093 . 0 0 "[ . 1 . 2]" 1
122 1 9 ARG QD 1 39 ARG HD3 2.240 . 2.867 2.950 2.880 3.022 0.155 12 0 "[ . 1 . 2]" 1
123 1 9 ARG QG 1 15 GLU HB2 3.857 . 5.717 5.393 4.903 5.682 . 0 0 "[ . 1 . 2]" 1
124 1 9 ARG HG2 1 36 LEU MD2 2.481 . 3.250 2.604 1.901 2.838 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLY H 1 11 LEU H 2.953 . 4.043 2.488 1.853 2.872 0.010 6 0 "[ . 1 . 2]" 1
126 1 10 GLY QA 1 11 LEU MD1 3.130 . 4.355 4.239 3.838 4.414 0.059 17 0 "[ . 1 . 2]" 1
127 1 10 GLY QA 1 12 THR MG 3.140 . 4.373 4.482 4.398 4.568 0.195 6 0 "[ . 1 . 2]" 1
128 1 11 LEU H 1 11 LEU HB2 2.616 . 3.472 2.146 2.055 2.255 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU H 1 11 LEU MD1 2.936 . 4.013 3.092 2.736 3.446 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU HA 1 11 LEU HB2 2.583 . 3.417 2.856 2.778 2.928 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU HA 1 11 LEU HB3 2.461 . 3.218 2.832 2.735 2.902 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU HA 1 11 LEU HB3 2.474 . 3.239 2.238 2.174 2.339 . 0 0 "[ . 1 . 2]" 1
133 1 11 LEU HA 1 11 LEU MD1 2.019 . 2.528 2.286 2.006 2.471 . 0 0 "[ . 1 . 2]" 1
134 1 11 LEU HA 1 11 LEU HG 2.506 . 3.291 2.345 2.263 2.467 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU HA 1 15 GLU HB2 3.136 . 4.365 2.803 2.289 3.382 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU HA 1 15 GLU HB3 3.403 . 4.851 3.724 3.205 4.332 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU QB 1 12 THR H 2.754 . 3.702 3.575 3.458 3.680 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU QB 1 19 PHE QD 3.145 . 4.381 3.747 3.494 3.897 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU HB2 1 11 LEU MD1 1.849 . 2.276 2.266 2.214 2.325 0.049 4 0 "[ . 1 . 2]" 1
140 1 11 LEU HB2 1 11 LEU QD 2.338 . 3.021 2.094 2.063 2.151 . 0 0 "[ . 1 . 2]" 1
141 1 11 LEU HB2 1 11 LEU MD2 2.134 . 2.704 2.465 2.342 2.536 . 0 0 "[ . 1 . 2]" 1
142 1 11 LEU HB2 1 16 TYR HB2 2.994 . 4.114 4.051 3.534 4.167 0.053 16 0 "[ . 1 . 2]" 1
143 1 11 LEU HB2 1 16 TYR HB3 3.312 . 4.683 4.554 4.031 4.726 0.043 2 0 "[ . 1 . 2]" 1
144 1 11 LEU HB2 1 16 TYR QD 3.376 . 4.801 3.831 3.245 4.116 . 0 0 "[ . 1 . 2]" 1
145 1 11 LEU HB2 1 16 TYR QE 3.599 . 5.218 5.144 4.767 5.292 0.074 7 0 "[ . 1 . 2]" 1
146 1 11 LEU HB2 1 19 PHE QD 3.191 . 4.464 4.140 3.985 4.237 . 0 0 "[ . 1 . 2]" 1
147 1 11 LEU HB2 1 32 ILE MD 2.218 . 2.833 2.216 2.111 2.494 . 0 0 "[ . 1 . 2]" 1
148 1 11 LEU HB3 1 11 LEU MD2 2.187 . 2.785 2.251 2.179 2.317 . 0 0 "[ . 1 . 2]" 1
149 1 11 LEU HB3 1 11 LEU MD2 1.872 . 2.310 1.929 1.904 1.940 . 0 0 "[ . 1 . 2]" 1
150 1 11 LEU HB3 1 16 TYR HA 2.903 . 3.956 3.309 2.939 3.413 . 0 0 "[ . 1 . 2]" 1
151 1 11 LEU HB3 1 35 TYR QD 3.368 . 4.786 3.829 3.682 3.959 . 0 0 "[ . 1 . 2]" 1
152 1 11 LEU HB3 1 32 ILE MD 2.671 . 3.562 3.578 3.437 3.715 0.153 18 0 "[ . 1 . 2]" 1
153 1 11 LEU HB3 1 13 ASP HA 2.966 . 4.066 3.804 3.108 4.082 0.016 16 0 "[ . 1 . 2]" 1
154 1 11 LEU HB3 1 15 GLU HB2 2.514 . 3.304 3.240 2.936 3.452 0.148 19 0 "[ . 1 . 2]" 1
155 1 11 LEU HB3 1 15 GLU HB3 2.812 . 3.800 3.236 2.429 3.900 0.100 13 0 "[ . 1 . 2]" 1
156 1 11 LEU HB3 1 16 TYR HB2 3.000 . 4.125 2.443 2.127 2.539 . 0 0 "[ . 1 . 2]" 1
157 1 11 LEU HB3 1 16 TYR HB3 3.346 . 4.745 4.142 3.773 4.236 . 0 0 "[ . 1 . 2]" 1
158 1 11 LEU HB3 1 16 TYR QD 3.349 . 4.751 3.150 2.855 3.442 . 0 0 "[ . 1 . 2]" 1
159 1 11 LEU HB3 1 16 TYR QD 2.591 . 3.430 2.058 1.932 2.146 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU HB3 1 16 TYR QE 3.358 . 4.768 4.793 4.443 4.905 0.137 2 0 "[ . 1 . 2]" 1
161 1 11 LEU HB3 1 17 ASP H 3.512 . 5.054 4.596 4.299 4.765 . 0 0 "[ . 1 . 2]" 1
162 1 11 LEU HB3 1 32 ILE MD 3.453 . 4.943 3.887 3.630 4.169 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU QD 1 11 LEU HG 2.010 . 2.515 1.869 1.857 1.882 . 0 0 "[ . 1 . 2]" 1
164 1 11 LEU QD 1 12 THR H 3.002 . 4.128 3.793 3.436 3.996 . 0 0 "[ . 1 . 2]" 1
165 1 11 LEU QD 1 15 GLU HA 2.846 . 3.858 3.939 3.837 4.012 0.154 5 0 "[ . 1 . 2]" 1
166 1 11 LEU QD 1 15 GLU HB2 2.645 . 3.519 2.798 2.728 2.895 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU QD 1 15 GLU HB3 2.541 . 3.348 2.632 2.418 2.863 . 0 0 "[ . 1 . 2]" 1
168 1 11 LEU QD 1 15 GLU QG 2.808 . 3.794 3.484 3.269 3.725 . 0 0 "[ . 1 . 2]" 1
169 1 11 LEU QD 1 32 ILE MD 1.826 . 2.243 1.729 1.693 1.757 . 0 0 "[ . 1 . 2]" 1
170 1 11 LEU QD 1 35 TYR HB3 3.150 . 4.390 3.278 3.195 3.391 . 0 0 "[ . 1 . 2]" 1
171 1 11 LEU QD 1 35 TYR HB2 3.084 . 4.273 4.205 4.081 4.324 0.051 16 0 "[ . 1 . 2]" 1
172 1 11 LEU QD 1 35 TYR QD 2.173 . 2.763 2.061 1.957 2.223 . 0 0 "[ . 1 . 2]" 1
173 1 11 LEU MD1 1 11 LEU HG 2.433 . 3.173 2.097 2.080 2.109 . 0 0 "[ . 1 . 2]" 1
174 1 11 LEU MD1 1 15 GLU HB2 2.334 . 3.015 3.111 3.050 3.156 0.141 19 0 "[ . 1 . 2]" 1
175 1 11 LEU MD1 1 15 GLU HB3 2.352 . 3.044 3.009 2.885 3.203 0.159 8 0 "[ . 1 . 2]" 1
176 1 11 LEU MD1 1 32 ILE QG 2.232 . 2.855 1.961 1.915 2.007 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU MD1 1 35 TYR QD 2.440 . 3.184 2.602 2.264 2.989 . 0 0 "[ . 1 . 2]" 1
178 1 11 LEU MD1 1 35 TYR QE 2.004 . 2.506 1.899 1.785 2.110 . 0 0 "[ . 1 . 2]" 1
179 1 11 LEU MD1 1 39 ARG HA 3.452 . 4.942 4.976 4.872 5.085 0.143 16 0 "[ . 1 . 2]" 1
180 1 11 LEU MD1 1 39 ARG HB2 2.935 . 4.012 3.183 3.026 3.344 . 0 0 "[ . 1 . 2]" 1
181 1 11 LEU MD1 1 39 ARG HD2 2.804 . 3.787 2.100 1.939 2.226 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU MD2 1 15 GLU HB2 2.409 . 3.134 2.994 2.858 3.168 0.034 8 0 "[ . 1 . 2]" 1
183 1 11 LEU MD2 1 16 TYR H 3.259 . 4.587 3.071 2.919 3.257 . 0 0 "[ . 1 . 2]" 1
184 1 11 LEU MD2 1 16 TYR HA 2.248 . 2.880 1.805 1.724 1.984 . 0 0 "[ . 1 . 2]" 1
185 1 11 LEU MD2 1 16 TYR HB2 2.941 . 4.022 2.771 2.524 3.044 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU MD2 1 16 TYR HB3 3.182 . 4.448 3.925 3.784 4.069 . 0 0 "[ . 1 . 2]" 1
187 1 11 LEU MD2 1 16 TYR HB3 2.719 . 3.643 3.777 3.682 3.895 0.252 8 0 "[ . 1 . 2]" 1
188 1 11 LEU MD2 1 16 TYR QD 2.341 . 3.026 2.419 2.192 2.591 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU MD2 1 19 PHE HA 3.235 . 4.543 4.489 4.173 4.621 0.078 2 0 "[ . 1 . 2]" 1
190 1 11 LEU MD2 1 19 PHE HA 3.614 . 5.247 4.255 4.010 4.380 . 0 0 "[ . 1 . 2]" 1
191 1 11 LEU MD2 1 19 PHE HB2 2.500 . 3.281 2.507 2.239 2.688 . 0 0 "[ . 1 . 2]" 1
192 1 11 LEU MD2 1 19 PHE HB3 2.801 . 3.782 2.892 2.577 3.089 . 0 0 "[ . 1 . 2]" 1
193 1 11 LEU MD2 1 19 PHE QD 2.560 . 3.379 3.251 2.992 3.421 0.042 4 0 "[ . 1 . 2]" 1
194 1 11 LEU MD2 1 19 PHE QE 3.092 . 4.287 3.999 3.854 4.120 . 0 0 "[ . 1 . 2]" 1
195 1 11 LEU MD2 1 19 PHE HZ 3.243 . 4.557 4.393 4.324 4.484 . 0 0 "[ . 1 . 2]" 1
196 1 11 LEU MD2 1 32 ILE HA 3.418 . 4.878 4.470 4.319 4.754 . 0 0 "[ . 1 . 2]" 1
197 1 11 LEU MD2 1 32 ILE HA 2.365 . 3.064 3.114 3.081 3.129 0.065 7 0 "[ . 1 . 2]" 1
198 1 11 LEU MD2 1 32 ILE MD 2.357 . 3.051 1.749 1.704 1.781 . 0 0 "[ . 1 . 2]" 1
199 1 11 LEU MD2 1 35 TYR QD 2.679 . 3.576 2.720 2.524 2.969 . 0 0 "[ . 1 . 2]" 1
200 1 11 LEU MD2 1 35 TYR QE 2.400 . 3.120 2.479 2.117 2.681 . 0 0 "[ . 1 . 2]" 1
201 1 11 LEU HG 1 15 GLU HB2 2.558 . 3.376 1.773 1.686 1.875 0.054 4 0 "[ . 1 . 2]" 1
202 1 11 LEU HG 1 15 GLU HB3 2.657 . 3.539 2.019 1.823 2.257 . 0 0 "[ . 1 . 2]" 1
203 1 11 LEU HG 1 15 GLU QG 2.948 . 4.034 3.251 2.911 3.610 . 0 0 "[ . 1 . 2]" 1
204 1 11 LEU HG 1 15 GLU QG 3.008 . 4.139 2.992 2.661 3.371 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU HG 1 16 TYR HB2 3.002 . 4.129 3.611 3.490 3.718 . 0 0 "[ . 1 . 2]" 1
206 1 11 LEU HG 1 16 TYR QD 3.418 . 4.878 4.750 4.595 4.879 0.001 14 0 "[ . 1 . 2]" 1
207 1 11 LEU HG 1 32 ILE MD 3.211 . 4.500 4.200 4.030 4.435 . 0 0 "[ . 1 . 2]" 1
208 1 11 LEU HG 1 35 TYR QE 2.822 . 3.818 2.963 2.605 3.220 . 0 0 "[ . 1 . 2]" 1
209 1 12 THR H 1 12 THR MG 2.408 . 3.133 2.385 2.180 2.542 . 0 0 "[ . 1 . 2]" 1
210 1 12 THR H 1 14 GLU QB 2.995 . 4.116 3.987 3.708 4.138 0.022 4 0 "[ . 1 . 2]" 1
211 1 12 THR H 1 15 GLU H 3.275 . 4.616 3.634 3.338 3.922 . 0 0 "[ . 1 . 2]" 1
212 1 12 THR H 1 15 GLU HB2 2.546 . 3.356 2.690 2.432 2.847 . 0 0 "[ . 1 . 2]" 1
213 1 12 THR HA 1 12 THR HB 2.004 . 2.506 2.511 2.479 2.546 0.040 12 0 "[ . 1 . 2]" 1
214 1 12 THR HA 1 12 THR MG 1.910 . 2.366 2.309 2.272 2.352 . 0 0 "[ . 1 . 2]" 1
215 1 12 THR HA 1 13 ASP H 2.254 . 2.889 2.361 2.278 2.413 . 0 0 "[ . 1 . 2]" 1
216 1 12 THR HA 1 14 GLU HG3 3.438 . 4.916 4.277 4.081 4.528 . 0 0 "[ . 1 . 2]" 1
217 1 12 THR HB 1 12 THR MG 2.052 . 2.578 2.138 2.135 2.144 . 0 0 "[ . 1 . 2]" 1
218 1 12 THR HB 1 13 ASP HB2 3.463 . 4.962 4.303 3.826 4.872 . 0 0 "[ . 1 . 2]" 1
219 1 12 THR HB 1 13 ASP HB3 3.607 . 5.234 4.734 3.869 5.368 0.134 13 0 "[ . 1 . 2]" 1
220 1 12 THR HB 1 14 GLU HA 3.747 . 5.502 5.443 5.155 5.586 0.084 19 0 "[ . 1 . 2]" 1
221 1 12 THR HB 1 14 GLU QB 3.312 . 4.683 4.182 3.803 4.591 . 0 0 "[ . 1 . 2]" 1
222 1 12 THR HB 1 14 GLU QG 3.192 . 4.466 3.703 2.789 4.293 . 0 0 "[ . 1 . 2]" 1
223 1 12 THR MG 1 13 ASP H 2.882 . 3.920 3.539 3.418 3.695 . 0 0 "[ . 1 . 2]" 1
224 1 12 THR MG 1 13 ASP HA 3.031 . 4.179 3.310 2.237 4.114 . 0 0 "[ . 1 . 2]" 1
225 1 12 THR MG 1 14 GLU H 3.360 . 4.771 4.422 3.972 4.715 . 0 0 "[ . 1 . 2]" 1
226 1 12 THR MG 1 14 GLU QG 3.308 . 4.676 3.525 3.200 4.024 . 0 0 "[ . 1 . 2]" 1
227 1 12 THR MG 1 15 GLU HB2 2.933 . 4.009 3.568 3.179 3.978 . 0 0 "[ . 1 . 2]" 1
228 1 12 THR MG 1 15 GLU QG 3.345 . 4.743 3.729 3.264 4.293 . 0 0 "[ . 1 . 2]" 1
229 1 13 ASP H 1 13 ASP HB2 2.554 . 3.370 2.453 2.142 2.640 . 0 0 "[ . 1 . 2]" 1
230 1 13 ASP H 1 14 GLU H 2.903 . 3.956 2.733 2.542 2.886 . 0 0 "[ . 1 . 2]" 1
231 1 13 ASP HA 1 13 ASP HB2 2.228 . 2.849 2.322 2.187 2.651 . 0 0 "[ . 1 . 2]" 1
232 1 13 ASP HA 1 13 ASP HB3 2.191 . 2.791 2.797 2.487 3.029 0.238 9 0 "[ . 1 . 2]" 1
233 1 13 ASP HA 1 14 GLU QG 3.373 . 4.795 3.938 3.763 4.152 . 0 0 "[ . 1 . 2]" 1
234 1 13 ASP HA 1 16 TYR H 3.035 . 4.186 3.622 3.525 3.733 . 0 0 "[ . 1 . 2]" 1
235 1 13 ASP HA 1 16 TYR HB2 2.688 . 3.591 3.645 3.455 3.697 0.106 10 0 "[ . 1 . 2]" 1
236 1 13 ASP HA 1 16 TYR HB3 2.479 . 3.247 2.651 2.501 2.745 . 0 0 "[ . 1 . 2]" 1
237 1 13 ASP HA 1 16 TYR QD 2.985 . 4.099 4.045 3.772 4.147 0.048 11 0 "[ . 1 . 2]" 1
238 1 13 ASP HB2 1 14 GLU H 2.579 . 3.411 3.444 2.711 4.019 0.608 4 8 "[*- +* **1 *. *2]" 1
239 1 14 GLU H 1 14 GLU HA 2.550 . 3.363 2.837 2.808 2.891 . 0 0 "[ . 1 . 2]" 1
240 1 14 GLU H 1 14 GLU QB 2.478 . 3.246 2.456 2.336 2.568 . 0 0 "[ . 1 . 2]" 1
241 1 14 GLU H 1 14 GLU QG 2.755 . 3.704 2.253 2.012 3.066 . 0 0 "[ . 1 . 2]" 1
242 1 14 GLU H 1 15 GLU H 2.540 . 3.346 2.698 2.531 2.804 . 0 0 "[ . 1 . 2]" 1
243 1 14 GLU HA 1 14 GLU QB 2.009 . 2.514 2.326 2.173 2.429 . 0 0 "[ . 1 . 2]" 1
244 1 14 GLU HA 1 14 GLU QB 2.115 . 2.674 1.905 1.854 1.965 . 0 0 "[ . 1 . 2]" 1
245 1 14 GLU HA 1 14 GLU QG 1.936 . 2.404 2.298 2.131 2.464 0.060 12 0 "[ . 1 . 2]" 1
246 1 14 GLU HA 1 14 GLU QG 2.115 . 2.674 2.282 2.052 2.477 . 0 0 "[ . 1 . 2]" 1
247 1 14 GLU HA 1 14 GLU QG 2.214 . 2.827 2.387 2.178 2.610 . 0 0 "[ . 1 . 2]" 1
248 1 14 GLU HA 1 17 ASP H 2.615 . 3.470 3.089 2.969 3.145 . 0 0 "[ . 1 . 2]" 1
249 1 14 GLU HA 1 17 ASP HB2 2.458 . 3.213 3.296 3.226 3.334 0.121 20 0 "[ . 1 . 2]" 1
250 1 14 GLU HA 1 17 ASP HB3 2.217 . 2.831 2.692 2.450 2.892 0.061 13 0 "[ . 1 . 2]" 1
251 1 14 GLU QB 1 14 GLU QG 1.659 . 2.003 1.777 1.701 1.809 . 0 0 "[ . 1 . 2]" 1
252 1 14 GLU QB 1 16 TYR H 2.994 . 4.114 3.540 3.433 3.658 . 0 0 "[ . 1 . 2]" 1
253 1 14 GLU QB 1 17 ASP HB3 3.379 . 4.806 4.339 4.039 4.539 . 0 0 "[ . 1 . 2]" 1
254 1 15 GLU H 1 15 GLU HA 2.491 . 3.267 2.824 2.794 2.862 . 0 0 "[ . 1 . 2]" 1
255 1 15 GLU H 1 15 GLU HB2 2.158 . 2.740 1.984 1.865 2.079 . 0 0 "[ . 1 . 2]" 1
256 1 15 GLU HA 1 15 GLU HB2 2.569 . 3.394 3.020 3.004 3.029 . 0 0 "[ . 1 . 2]" 1
257 1 15 GLU HA 1 15 GLU HB3 2.036 . 2.554 2.426 2.390 2.449 . 0 0 "[ . 1 . 2]" 1
258 1 15 GLU HA 1 15 GLU QG 2.470 . 3.233 2.825 2.512 3.105 . 0 0 "[ . 1 . 2]" 1
259 1 15 GLU HA 1 16 TYR H 2.544 . 3.353 2.717 2.708 2.728 . 0 0 "[ . 1 . 2]" 1
260 1 15 GLU HA 1 35 TYR QE 2.842 . 3.852 3.821 3.712 3.977 0.125 1 0 "[ . 1 . 2]" 1
261 1 15 GLU HA 1 18 GLU HB2 2.648 . 3.525 3.516 3.407 3.602 0.077 10 0 "[ . 1 . 2]" 1
262 1 15 GLU HA 1 18 GLU HB3 2.700 . 3.611 2.786 2.537 3.068 . 0 0 "[ . 1 . 2]" 1
263 1 15 GLU HA 1 35 TYR QE 3.090 . 4.283 3.989 3.862 4.195 . 0 0 "[ . 1 . 2]" 1
264 1 15 GLU HB2 1 32 ILE MD 3.451 . 4.940 4.961 4.881 5.081 0.141 5 0 "[ . 1 . 2]" 1
265 1 15 GLU HB2 1 16 TYR HB2 3.537 . 5.101 3.880 3.814 4.005 . 0 0 "[ . 1 . 2]" 1
266 1 15 GLU HB2 1 18 GLU H 3.023 . 4.165 4.306 4.220 4.351 0.186 14 0 "[ . 1 . 2]" 1
267 1 15 GLU HB2 1 35 TYR QD 3.220 . 4.516 3.968 3.543 4.430 . 0 0 "[ . 1 . 2]" 1
268 1 15 GLU HB2 1 35 TYR QE 2.818 . 3.811 3.964 3.897 4.064 0.253 2 0 "[ . 1 . 2]" 1
269 1 15 GLU HB3 1 17 ASP H 3.418 . 4.879 4.446 4.295 4.573 . 0 0 "[ . 1 . 2]" 1
270 1 15 GLU HB3 1 35 TYR QE 2.625 . 3.486 2.503 2.408 2.711 . 0 0 "[ . 1 . 2]" 1
271 1 15 GLU HB3 1 35 TYR QE 2.818 . 3.811 2.566 2.457 2.850 . 0 0 "[ . 1 . 2]" 1
272 1 15 GLU QG 1 35 TYR QE 3.242 . 4.556 4.106 3.878 4.366 . 0 0 "[ . 1 . 2]" 1
273 1 16 TYR H 1 16 TYR HB2 2.397 . 3.115 2.473 2.428 2.521 . 0 0 "[ . 1 . 2]" 1
274 1 16 TYR H 1 16 TYR HB3 2.465 . 3.225 2.590 2.526 2.623 . 0 0 "[ . 1 . 2]" 1
275 1 16 TYR H 1 17 ASP HB3 3.504 . 5.039 4.227 4.163 4.291 . 0 0 "[ . 1 . 2]" 1
276 1 16 TYR HA 1 16 TYR HB2 2.306 . 2.971 2.503 2.472 2.520 . 0 0 "[ . 1 . 2]" 1
277 1 16 TYR HA 1 16 TYR HB3 2.432 . 3.172 3.014 3.005 3.020 . 0 0 "[ . 1 . 2]" 1
278 1 16 TYR HA 1 16 TYR QD 2.156 . 2.737 2.702 2.554 2.787 0.050 3 0 "[ . 1 . 2]" 1
279 1 16 TYR HA 1 19 PHE H 2.742 . 3.682 3.245 3.155 3.374 . 0 0 "[ . 1 . 2]" 1
280 1 16 TYR HA 1 19 PHE HB2 2.520 . 3.314 3.024 2.894 3.201 . 0 0 "[ . 1 . 2]" 1
281 1 16 TYR HA 1 19 PHE HB3 2.309 . 2.976 2.096 1.956 2.184 . 0 0 "[ . 1 . 2]" 1
282 1 16 TYR HA 1 19 PHE QD 2.507 . 3.293 3.065 2.727 3.310 0.017 9 0 "[ . 1 . 2]" 1
283 1 16 TYR HB2 1 16 TYR QD 2.570 . 3.395 2.483 2.420 2.548 . 0 0 "[ . 1 . 2]" 1
284 1 16 TYR HB2 1 16 TYR QD 2.725 . 3.653 2.277 2.238 2.313 . 0 0 "[ . 1 . 2]" 1
285 1 16 TYR HB2 1 16 TYR QE 3.159 . 4.407 4.027 3.862 4.137 . 0 0 "[ . 1 . 2]" 1
286 1 16 TYR HB3 1 16 TYR QD 2.304 . 2.967 2.329 2.291 2.366 . 0 0 "[ . 1 . 2]" 1
287 1 16 TYR HB3 1 16 TYR QE 3.094 . 4.291 4.132 4.050 4.195 . 0 0 "[ . 1 . 2]" 1
288 1 16 TYR QD 1 16 TYR QE 1.811 . 2.221 2.107 2.046 2.142 . 0 0 "[ . 1 . 2]" 1
289 1 16 TYR QD 1 16 TYR QE 1.623 . 1.952 2.097 2.026 2.148 0.196 9 0 "[ . 1 . 2]" 1
290 1 16 TYR QD 1 17 ASP H 3.491 . 5.014 3.858 3.649 4.071 . 0 0 "[ . 1 . 2]" 1
291 1 16 TYR QD 1 17 ASP HA 3.028 . 4.174 3.697 3.566 3.899 . 0 0 "[ . 1 . 2]" 1
292 1 16 TYR QD 1 19 PHE HB2 2.950 . 4.038 4.041 3.962 4.108 0.070 2 0 "[ . 1 . 2]" 1
293 1 16 TYR QD 1 19 PHE HB2 2.954 . 4.044 3.788 3.702 3.895 . 0 0 "[ . 1 . 2]" 1
294 1 16 TYR QD 1 19 PHE HB3 3.536 . 5.098 3.603 3.450 3.716 . 0 0 "[ . 1 . 2]" 1
295 1 16 TYR QD 1 19 PHE QD 1.970 . 2.455 2.113 2.051 2.155 . 0 0 "[ . 1 . 2]" 1
296 1 16 TYR QD 1 32 ILE QG 3.379 . 4.714 3.948 3.803 4.096 . 0 0 "[ . 1 . 2]" 1
297 1 16 TYR QD 1 20 LYS HA 3.104 . 4.309 4.392 4.321 4.500 0.191 13 0 "[ . 1 . 2]" 1
298 1 16 TYR QD 1 32 ILE MD 2.541 . 3.348 2.687 2.421 2.968 . 0 0 "[ . 1 . 2]" 1
299 1 16 TYR QD 1 20 LYS HD3 3.240 . 4.552 2.900 2.731 3.016 . 0 0 "[ . 1 . 2]" 1
300 1 16 TYR QD 1 20 LYS HD3 2.917 . 3.981 2.041 1.921 2.116 . 0 0 "[ . 1 . 2]" 1
301 1 16 TYR QD 1 20 LYS HE2 3.071 . 4.250 2.872 2.109 4.181 . 0 0 "[ . 1 . 2]" 1
302 1 16 TYR QD 1 20 LYS HG2 3.208 . 4.494 4.119 3.798 4.478 . 0 0 "[ . 1 . 2]" 1
303 1 16 TYR QD 1 20 LYS HG3 3.198 . 4.476 3.169 2.879 3.674 . 0 0 "[ . 1 . 2]" 1
304 1 16 TYR QD 1 20 LYS HG3 2.431 . 3.170 2.643 2.523 2.795 . 0 0 "[ . 1 . 2]" 1
305 1 16 TYR QD 1 32 ILE MD 2.998 . 4.121 3.103 2.764 3.311 . 0 0 "[ . 1 . 2]" 1
306 1 16 TYR QE 1 17 ASP HA 3.307 . 4.674 4.777 4.708 4.870 0.196 12 0 "[ . 1 . 2]" 1
307 1 16 TYR QE 1 17 ASP HB2 3.527 . 5.082 4.745 4.551 4.923 . 0 0 "[ . 1 . 2]" 1
308 1 16 TYR QE 1 19 PHE HE2 1.998 . 2.497 2.104 2.028 2.163 . 0 0 "[ . 1 . 2]" 1
309 1 16 TYR QE 1 20 LYS HA 3.082 . 4.269 4.013 3.835 4.135 . 0 0 "[ . 1 . 2]" 1
310 1 16 TYR QE 1 20 LYS HB2 3.544 . 5.114 4.760 4.624 4.891 . 0 0 "[ . 1 . 2]" 1
311 1 16 TYR QE 1 20 LYS HB3 3.411 . 4.866 4.854 4.726 4.901 0.035 1 0 "[ . 1 . 2]" 1
312 1 16 TYR QE 1 20 LYS HD2 2.864 . 3.889 3.060 1.927 3.469 . 0 0 "[ . 1 . 2]" 1
313 1 16 TYR QE 1 20 LYS HE3 3.232 . 4.537 4.607 4.552 4.709 0.172 16 0 "[ . 1 . 2]" 1
314 1 16 TYR QE 1 23 ARG HD3 3.678 . 5.369 4.478 4.123 4.736 . 0 0 "[ . 1 . 2]" 1
315 1 16 TYR QE 1 32 ILE HB 3.602 . 5.224 4.567 4.235 4.782 . 0 0 "[ . 1 . 2]" 1
316 1 16 TYR QE 1 32 ILE MD 2.467 . 3.228 2.769 2.557 3.009 . 0 0 "[ . 1 . 2]" 1
317 1 16 TYR QE 1 32 ILE QG 3.643 . 5.302 4.164 3.745 4.444 . 0 0 "[ . 1 . 2]" 1
318 1 16 TYR QE 1 20 LYS HD3 2.297 . 2.956 2.307 1.916 3.566 0.610 19 4 "[ . * .- +*]" 1
319 1 16 TYR QE 1 20 LYS HE2 2.937 . 4.015 3.701 3.481 4.013 . 0 0 "[ . 1 . 2]" 1
320 1 16 TYR QE 1 20 LYS QE 2.812 . 3.801 3.579 3.392 3.821 0.020 20 0 "[ . 1 . 2]" 1
321 1 16 TYR QE 1 20 LYS HG2 2.778 . 3.743 3.322 3.048 3.607 . 0 0 "[ . 1 . 2]" 1
322 1 16 TYR QE 1 20 LYS HG3 2.864 . 3.889 3.422 3.181 3.655 . 0 0 "[ . 1 . 2]" 1
323 1 16 TYR QE 1 32 ILE MD 2.643 . 3.516 3.384 2.878 3.598 0.082 18 0 "[ . 1 . 2]" 1
324 1 17 ASP H 1 17 ASP HA 2.583 . 3.417 2.826 2.800 2.858 . 0 0 "[ . 1 . 2]" 1
325 1 17 ASP H 1 17 ASP HB2 2.562 . 3.383 2.528 2.396 2.694 . 0 0 "[ . 1 . 2]" 1
326 1 17 ASP H 1 17 ASP HB3 2.271 . 2.916 2.551 2.432 2.678 . 0 0 "[ . 1 . 2]" 1
327 1 17 ASP H 1 18 GLU H 2.552 . 3.366 2.649 2.522 2.739 . 0 0 "[ . 1 . 2]" 1
328 1 17 ASP H 1 19 PHE H 3.603 . 5.225 3.938 3.686 4.145 . 0 0 "[ . 1 . 2]" 1
329 1 17 ASP HA 1 17 ASP HB2 2.144 . 2.718 2.493 2.431 2.560 . 0 0 "[ . 1 . 2]" 1
330 1 17 ASP HA 1 17 ASP HB3 2.094 . 2.642 2.292 1.908 2.823 0.181 20 0 "[ . 1 . 2]" 1
331 1 17 ASP HA 1 20 LYS H 3.097 . 4.296 3.216 3.081 3.406 . 0 0 "[ . 1 . 2]" 1
332 1 17 ASP HA 1 20 LYS HB2 2.309 . 2.976 2.656 2.394 2.853 . 0 0 "[ . 1 . 2]" 1
333 1 17 ASP HA 1 20 LYS QD 2.786 . 3.757 3.316 1.797 3.778 0.021 9 0 "[ . 1 . 2]" 1
334 1 17 ASP HA 1 20 LYS HE2 2.635 . 3.503 2.309 1.849 3.628 0.125 16 0 "[ . 1 . 2]" 1
335 1 17 ASP HA 1 20 LYS HE3 2.563 . 3.384 2.442 1.929 3.396 0.012 20 0 "[ . 1 . 2]" 1
336 1 17 ASP HA 1 20 LYS HG2 3.023 . 4.166 4.381 4.252 4.531 0.365 13 0 "[ . 1 . 2]" 1
337 1 17 ASP HA 1 20 LYS HG3 3.154 . 4.397 2.922 2.596 3.567 . 0 0 "[ . 1 . 2]" 1
338 1 17 ASP HA 1 20 LYS HG3 2.746 . 3.688 2.790 2.543 3.242 . 0 0 "[ . 1 . 2]" 1
339 1 17 ASP HB2 1 18 GLU H 2.828 . 3.828 3.764 3.669 3.850 0.022 12 0 "[ . 1 . 2]" 1
340 1 17 ASP HB3 1 18 GLU HB2 3.807 . 5.619 4.142 3.966 4.287 . 0 0 "[ . 1 . 2]" 1
341 1 18 GLU H 1 18 GLU HA 2.632 . 3.498 2.801 2.781 2.831 . 0 0 "[ . 1 . 2]" 1
342 1 18 GLU H 1 18 GLU HB2 2.412 . 3.139 2.467 2.359 2.571 . 0 0 "[ . 1 . 2]" 1
343 1 18 GLU H 1 19 PHE H 2.569 . 3.394 2.653 2.527 2.746 . 0 0 "[ . 1 . 2]" 1
344 1 18 GLU HA 1 18 GLU HB2 2.299 . 2.959 2.467 2.422 2.526 . 0 0 "[ . 1 . 2]" 1
345 1 18 GLU HA 1 18 GLU HB2 2.036 . 2.554 2.184 2.102 2.332 . 0 0 "[ . 1 . 2]" 1
346 1 18 GLU HA 1 18 GLU HB3 2.407 . 3.131 3.026 3.020 3.034 . 0 0 "[ . 1 . 2]" 1
347 1 18 GLU HA 1 18 GLU HB3 1.964 . 2.446 2.343 2.081 2.470 0.024 13 0 "[ . 1 . 2]" 1
348 1 18 GLU HA 1 18 GLU HG2 2.454 . 3.206 2.407 2.257 2.730 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLU HA 1 18 GLU HG3 2.346 . 3.034 2.563 2.304 3.106 0.072 3 0 "[ . 1 . 2]" 1
350 1 18 GLU HA 1 21 LYS QB 2.164 . 2.749 2.593 2.144 2.796 0.047 11 0 "[ . 1 . 2]" 1
351 1 18 GLU HA 1 21 LYS QD 3.090 . 4.283 2.710 1.913 3.715 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLU HA 1 21 LYS QD 2.484 . 3.255 2.640 1.909 3.481 0.226 19 0 "[ . 1 . 2]" 1
353 1 18 GLU HA 1 21 LYS QE 2.940 . 4.020 3.099 1.688 3.907 0.172 3 0 "[ . 1 . 2]" 1
354 1 18 GLU HA 1 21 LYS HG2 3.556 . 5.136 4.711 4.319 5.162 0.026 11 0 "[ . 1 . 2]" 1
355 1 18 GLU HA 1 21 LYS HG2 2.842 . 3.852 3.558 3.234 3.897 0.045 1 0 "[ . 1 . 2]" 1
356 1 18 GLU HA 1 21 LYS HG3 3.033 . 4.183 3.825 3.211 4.959 0.776 8 3 "[ . +-1 * 2]" 1
357 1 18 GLU HA 1 22 ARG HG3 3.578 . 5.178 4.000 3.719 4.255 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLU HA 1 35 TYR QE 3.653 . 5.321 4.968 4.607 5.213 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLU HB2 1 18 GLU HG2 2.345 . 3.033 2.663 2.389 2.998 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLU HB2 1 19 PHE HA 3.807 . 5.619 5.639 5.582 5.686 0.067 6 0 "[ . 1 . 2]" 1
361 1 18 GLU HB2 1 20 LYS H 2.958 . 4.052 3.870 3.822 3.912 . 0 0 "[ . 1 . 2]" 1
362 1 18 GLU HB2 1 22 ARG QD 3.724 . 5.458 5.234 4.381 5.498 0.040 19 0 "[ . 1 . 2]" 1
363 1 18 GLU HB2 1 35 TYR QE 3.178 . 4.441 4.269 3.976 4.474 0.033 16 0 "[ . 1 . 2]" 1
364 1 18 GLU HB3 1 18 GLU HG2 2.134 . 2.703 2.357 2.228 2.468 . 0 0 "[ . 1 . 2]" 1
365 1 18 GLU HB3 1 22 ARG HD3 3.192 . 4.466 2.952 2.489 3.989 . 0 0 "[ . 1 . 2]" 1
366 1 18 GLU HB3 1 22 ARG HG2 3.271 . 4.608 4.114 3.916 4.407 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLU HB3 1 35 TYR QE 2.334 . 3.015 2.521 1.964 3.036 0.021 16 0 "[ . 1 . 2]" 1
368 1 18 GLU HB3 1 19 PHE H 2.573 . 3.400 2.416 2.286 2.542 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLU HB3 1 35 TYR QE 2.969 . 4.071 2.920 2.469 3.240 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLU HG2 1 19 PHE H 3.431 . 4.903 4.129 3.388 4.695 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLU HG2 1 22 ARG QB 3.281 . 4.627 3.762 3.472 4.232 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLU HG2 1 22 ARG QD 3.353 . 4.759 3.360 1.881 4.174 0.066 2 0 "[ . 1 . 2]" 1
373 1 18 GLU HG2 1 22 ARG HG3 3.354 . 4.760 3.891 2.683 4.597 . 0 0 "[ . 1 . 2]" 1
374 1 18 GLU HG2 1 35 TYR QD 3.285 . 4.634 4.230 3.671 4.627 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLU HG2 1 35 TYR QE 2.280 . 2.930 2.500 2.004 2.933 0.003 13 0 "[ . 1 . 2]" 1
376 1 18 GLU HG3 1 22 ARG QD 3.159 . 4.407 2.968 2.512 4.038 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLU HG3 1 35 TYR QE 2.772 . 3.732 2.973 1.991 3.844 0.112 16 0 "[ . 1 . 2]" 1
378 1 19 PHE H 1 19 PHE HA 2.719 . 3.643 2.783 2.748 2.812 . 0 0 "[ . 1 . 2]" 1
379 1 19 PHE H 1 19 PHE QD 3.099 . 4.299 4.136 4.095 4.156 . 0 0 "[ . 1 . 2]" 1
380 1 19 PHE H 1 20 LYS H 2.700 . 3.611 2.810 2.721 2.895 . 0 0 "[ . 1 . 2]" 1
381 1 19 PHE H 1 35 TYR QD 3.470 . 4.975 4.525 4.270 4.754 . 0 0 "[ . 1 . 2]" 1
382 1 19 PHE H 1 35 TYR QE 3.456 . 4.949 3.652 3.329 3.987 . 0 0 "[ . 1 . 2]" 1
383 1 19 PHE HA 1 19 PHE HB2 2.344 . 3.031 2.390 2.328 2.431 . 0 0 "[ . 1 . 2]" 1
384 1 19 PHE HA 1 19 PHE HB3 2.460 . 3.216 3.020 3.000 3.027 . 0 0 "[ . 1 . 2]" 1
385 1 19 PHE HA 1 19 PHE QD 2.369 . 3.070 2.381 2.307 2.471 . 0 0 "[ . 1 . 2]" 1
386 1 19 PHE HA 1 19 PHE HE1 3.304 . 4.669 4.715 4.664 4.812 0.143 16 0 "[ . 1 . 2]" 1
387 1 19 PHE HA 1 19 PHE HE1 2.820 . 3.814 3.724 3.618 3.818 0.004 16 0 "[ . 1 . 2]" 1
388 1 19 PHE HA 1 20 LYS H 3.213 . 4.504 3.567 3.546 3.582 . 0 0 "[ . 1 . 2]" 1
389 1 19 PHE HA 1 20 LYS HA 3.455 . 4.947 4.290 4.173 4.373 . 0 0 "[ . 1 . 2]" 1
390 1 19 PHE HA 1 22 ARG QB 2.864 . 3.854 2.413 2.350 2.449 . 0 0 "[ . 1 . 2]" 1
391 1 19 PHE HA 1 22 ARG QB 2.633 . 3.500 2.388 2.332 2.424 . 0 0 "[ . 1 . 2]" 1
392 1 19 PHE HA 1 22 ARG QD 2.634 . 3.501 2.662 2.472 2.894 . 0 0 "[ . 1 . 2]" 1
393 1 19 PHE HA 1 30 TYR QE 2.566 . 3.389 2.866 2.610 3.201 . 0 0 "[ . 1 . 2]" 1
394 1 19 PHE HA 1 32 ILE MD 3.864 . 5.730 5.115 4.485 5.507 . 0 0 "[ . 1 . 2]" 1
395 1 19 PHE HA 1 35 TYR QD 2.864 . 3.889 2.802 2.369 3.122 . 0 0 "[ . 1 . 2]" 1
396 1 19 PHE HA 1 35 TYR QD 2.754 . 3.702 2.614 2.306 2.848 . 0 0 "[ . 1 . 2]" 1
397 1 19 PHE HA 1 35 TYR QE 2.730 . 3.661 3.468 3.161 3.685 0.024 3 0 "[ . 1 . 2]" 1
398 1 19 PHE HB2 1 19 PHE QD 2.432 . 3.171 2.639 2.573 2.690 . 0 0 "[ . 1 . 2]" 1
399 1 19 PHE HB2 1 19 PHE QE 3.371 . 4.792 4.448 4.420 4.466 . 0 0 "[ . 1 . 2]" 1
400 1 19 PHE HB2 1 30 TYR QE 3.184 . 4.451 4.407 4.134 4.537 0.086 6 0 "[ . 1 . 2]" 1
401 1 19 PHE HB2 1 32 ILE MD 3.104 . 4.308 3.538 3.080 3.843 . 0 0 "[ . 1 . 2]" 1
402 1 19 PHE HB2 1 35 TYR QD 3.000 . 4.125 3.329 3.097 3.560 . 0 0 "[ . 1 . 2]" 1
403 1 19 PHE HB2 1 35 TYR QE 3.269 . 4.605 3.527 3.326 3.677 . 0 0 "[ . 1 . 2]" 1
404 1 19 PHE HB3 1 19 PHE HE1 3.051 . 4.214 4.152 4.084 4.194 . 0 0 "[ . 1 . 2]" 1
405 1 19 PHE HB3 1 19 PHE QD 2.332 . 3.012 2.256 2.239 2.262 . 0 0 "[ . 1 . 2]" 1
406 1 19 PHE HB3 1 20 LYS HG2 3.216 . 4.508 3.476 3.055 3.647 . 0 0 "[ . 1 . 2]" 1
407 1 19 PHE HB3 1 22 ARG QB 3.397 . 4.839 3.479 3.238 3.782 . 0 0 "[ . 1 . 2]" 1
408 1 19 PHE HB3 1 32 ILE MD 3.279 . 4.623 3.913 3.691 4.148 . 0 0 "[ . 1 . 2]" 1
409 1 19 PHE HB3 1 35 TYR QE 3.633 . 5.282 4.709 4.460 4.929 . 0 0 "[ . 1 . 2]" 1
410 1 19 PHE QD 1 20 LYS H 3.034 . 4.185 3.619 3.388 3.812 . 0 0 "[ . 1 . 2]" 1
411 1 19 PHE QD 1 20 LYS HG3 2.843 . 3.853 3.126 2.789 3.251 . 0 0 "[ . 1 . 2]" 1
412 1 19 PHE QD 1 32 ILE HA 2.970 . 4.072 3.569 3.370 3.819 . 0 0 "[ . 1 . 2]" 1
413 1 19 PHE QD 1 32 ILE MD 2.940 . 4.021 2.952 2.753 3.246 . 0 0 "[ . 1 . 2]" 1
414 1 19 PHE QD 1 32 ILE QG 3.508 . 5.046 4.358 3.810 4.662 . 0 0 "[ . 1 . 2]" 1
415 1 19 PHE QD 1 35 TYR HA 3.174 . 4.433 4.202 3.989 4.469 0.036 18 0 "[ . 1 . 2]" 1
416 1 19 PHE QD 1 35 TYR HB2 2.451 . 3.202 1.916 1.784 2.117 . 0 0 "[ . 1 . 2]" 1
417 1 19 PHE QD 1 35 TYR HB3 2.577 . 3.407 3.012 2.743 3.340 . 0 0 "[ . 1 . 2]" 1
418 1 19 PHE QD 1 35 TYR QD 2.884 . 3.923 2.999 2.757 3.317 . 0 0 "[ . 1 . 2]" 1
419 1 19 PHE HE1 1 23 ARG HG3 2.956 . 4.048 3.659 3.422 3.778 . 0 0 "[ . 1 . 2]" 1
420 1 19 PHE HE1 1 22 ARG QB 3.180 . 4.444 4.132 3.878 4.202 . 0 0 "[ . 1 . 2]" 1
421 1 19 PHE QE 1 23 ARG HD2 2.739 . 3.677 3.186 3.002 3.355 . 0 0 "[ . 1 . 2]" 1
422 1 19 PHE QE 1 23 ARG HD3 2.950 . 4.038 3.684 3.203 3.866 . 0 0 "[ . 1 . 2]" 1
423 1 19 PHE QE 1 23 ARG HD3 2.729 . 3.660 3.532 3.128 3.700 0.040 2 0 "[ . 1 . 2]" 1
424 1 19 PHE QE 1 32 ILE HB 3.260 . 4.589 3.737 3.492 3.876 . 0 0 "[ . 1 . 2]" 1
425 1 19 PHE QE 1 32 ILE MG 3.261 . 4.590 4.636 4.539 4.749 0.159 6 0 "[ . 1 . 2]" 1
426 1 19 PHE HE1 1 23 ARG HB2 3.289 . 4.641 3.611 3.241 4.019 . 0 0 "[ . 1 . 2]" 1
427 1 19 PHE HE1 1 23 ARG HD2 3.009 . 4.140 2.844 2.646 3.116 . 0 0 "[ . 1 . 2]" 1
428 1 19 PHE HE1 1 23 ARG HG3 3.073 . 4.253 3.771 3.649 3.915 . 0 0 "[ . 1 . 2]" 1
429 1 19 PHE HE1 1 30 TYR HA 3.472 . 4.979 4.902 4.691 5.041 0.062 18 0 "[ . 1 . 2]" 1
430 1 19 PHE HE1 1 30 TYR HB3 3.792 . 5.589 3.854 3.489 4.170 . 0 0 "[ . 1 . 2]" 1
431 1 19 PHE HE1 1 31 SER H 3.012 . 4.146 3.593 3.483 3.771 . 0 0 "[ . 1 . 2]" 1
432 1 19 PHE HE1 1 31 SER HB2 3.598 . 5.216 4.825 4.728 4.995 . 0 0 "[ . 1 . 2]" 1
433 1 19 PHE HE1 1 31 SER HB3 3.804 . 5.613 5.273 5.026 5.396 . 0 0 "[ . 1 . 2]" 1
434 1 19 PHE HE1 1 35 TYR HA 3.733 . 5.475 4.525 4.306 4.916 . 0 0 "[ . 1 . 2]" 1
435 1 19 PHE HE1 1 35 TYR HB2 2.772 . 3.733 2.866 2.641 3.267 . 0 0 "[ . 1 . 2]" 1
436 1 19 PHE HE1 1 31 SER HA 2.851 . 3.867 3.712 3.385 3.891 0.024 20 0 "[ . 1 . 2]" 1
437 1 19 PHE HE1 1 32 ILE HA 2.668 . 3.558 2.504 2.169 2.844 . 0 0 "[ . 1 . 2]" 1
438 1 19 PHE HE1 1 35 TYR HB3 2.950 . 4.038 3.490 3.174 3.937 . 0 0 "[ . 1 . 2]" 1
439 1 19 PHE HE2 1 32 ILE MD 2.916 . 3.979 2.957 2.676 3.399 . 0 0 "[ . 1 . 2]" 1
440 1 19 PHE HZ 1 20 LYS HG3 3.579 . 5.180 5.234 5.054 5.367 0.187 13 0 "[ . 1 . 2]" 1
441 1 19 PHE HZ 1 23 ARG HB2 3.363 . 4.777 4.170 4.049 4.500 . 0 0 "[ . 1 . 2]" 1
442 1 19 PHE HZ 1 23 ARG HD2 2.755 . 3.704 2.995 2.698 3.459 . 0 0 "[ . 1 . 2]" 1
443 1 19 PHE HZ 1 23 ARG HD3 2.723 . 3.650 3.745 3.696 3.805 0.155 19 0 "[ . 1 . 2]" 1
444 1 19 PHE HZ 1 31 SER HA 2.649 . 3.526 3.106 2.922 3.386 . 0 0 "[ . 1 . 2]" 1
445 1 19 PHE HZ 1 31 SER HB2 3.518 . 5.065 5.167 4.609 5.761 0.696 18 1 "[ . 1 . + 2]" 1
446 1 19 PHE HZ 1 32 ILE H 3.516 . 5.061 3.108 2.926 3.409 . 0 0 "[ . 1 . 2]" 1
447 1 19 PHE HZ 1 32 ILE HA 3.315 . 4.688 3.134 2.935 3.536 . 0 0 "[ . 1 . 2]" 1
448 1 19 PHE HZ 1 32 ILE HB 3.004 . 4.132 3.336 3.213 3.488 . 0 0 "[ . 1 . 2]" 1
449 1 19 PHE HZ 1 32 ILE MD 3.039 . 4.193 3.336 3.067 3.760 . 0 0 "[ . 1 . 2]" 1
450 1 19 PHE HZ 1 32 ILE QG 3.344 . 4.742 4.611 4.567 4.657 . 0 0 "[ . 1 . 2]" 1
451 1 20 LYS H 1 21 LYS H 2.613 . 3.467 2.734 2.635 2.805 . 0 0 "[ . 1 . 2]" 1
452 1 20 LYS H 1 21 LYS H 2.305 . 2.969 2.430 2.381 2.479 . 0 0 "[ . 1 . 2]" 1
453 1 20 LYS H 1 21 LYS QB 3.550 . 5.125 4.157 3.968 4.248 . 0 0 "[ . 1 . 2]" 1
454 1 20 LYS HA 1 20 LYS HB2 2.383 . 3.093 3.025 3.013 3.032 . 0 0 "[ . 1 . 2]" 1
455 1 20 LYS HA 1 20 LYS QB 1.975 . 2.463 2.390 2.349 2.426 . 0 0 "[ . 1 . 2]" 1
456 1 20 LYS HA 1 20 LYS HG2 2.228 . 2.848 2.542 2.430 2.757 . 0 0 "[ . 1 . 2]" 1
457 1 20 LYS HA 1 21 LYS HA 3.353 . 4.758 4.619 4.566 4.657 . 0 0 "[ . 1 . 2]" 1
458 1 20 LYS HA 1 23 ARG H 2.975 . 4.081 3.359 3.288 3.398 . 0 0 "[ . 1 . 2]" 1
459 1 20 LYS HA 1 23 ARG HA 3.575 . 5.173 5.266 5.210 5.335 0.162 10 0 "[ . 1 . 2]" 1
460 1 20 LYS HA 1 23 ARG HB3 2.399 . 3.119 2.462 2.360 2.598 . 0 0 "[ . 1 . 2]" 1
461 1 20 LYS HA 1 24 GLU H 3.462 . 4.961 3.810 3.686 3.947 . 0 0 "[ . 1 . 2]" 1
462 1 20 LYS QB 1 21 LYS HA 2.598 . 3.441 3.539 3.466 3.584 0.143 13 0 "[ . 1 . 2]" 1
463 1 20 LYS HB2 1 20 LYS HE3 2.280 . 2.930 2.052 1.919 2.291 . 0 0 "[ . 1 . 2]" 1
464 1 20 LYS HB2 1 20 LYS HG2 2.135 . 2.705 2.365 2.277 2.401 . 0 0 "[ . 1 . 2]" 1
465 1 20 LYS HB2 1 20 LYS HG3 2.176 . 2.768 2.179 2.129 2.212 . 0 0 "[ . 1 . 2]" 1
466 1 20 LYS HB2 1 20 LYS HE2 3.113 . 4.324 3.274 3.007 3.724 . 0 0 "[ . 1 . 2]" 1
467 1 20 LYS HB2 1 20 LYS HE3 2.882 . 3.920 2.159 1.986 2.378 . 0 0 "[ . 1 . 2]" 1
468 1 20 LYS HB2 1 20 LYS HG2 2.472 . 3.236 2.996 2.974 3.005 . 0 0 "[ . 1 . 2]" 1
469 1 20 LYS HB2 1 20 LYS HG3 2.463 . 3.221 2.424 2.341 2.589 . 0 0 "[ . 1 . 2]" 1
470 1 20 LYS HB2 1 21 LYS H 2.484 . 3.255 2.418 2.319 2.536 . 0 0 "[ . 1 . 2]" 1
471 1 20 LYS HB3 1 20 LYS HE3 2.711 . 3.630 2.795 2.206 3.067 . 0 0 "[ . 1 . 2]" 1
472 1 20 LYS HB3 1 20 LYS HG2 2.558 . 3.376 2.461 2.309 2.550 . 0 0 "[ . 1 . 2]" 1
473 1 20 LYS HB3 1 20 LYS HG3 2.482 . 3.252 2.999 2.984 3.008 . 0 0 "[ . 1 . 2]" 1
474 1 20 LYS HB3 1 24 GLU HB3 2.606 . 3.455 2.589 2.343 2.748 . 0 0 "[ . 1 . 2]" 1
475 1 20 LYS QD 1 20 LYS HE2 2.252 . 2.886 2.285 2.143 2.363 . 0 0 "[ . 1 . 2]" 1
476 1 20 LYS QD 1 20 LYS HG2 2.487 . 3.260 2.195 2.167 2.298 . 0 0 "[ . 1 . 2]" 1
477 1 20 LYS HD2 1 20 LYS HE2 2.572 . 3.399 2.891 2.407 3.012 . 0 0 "[ . 1 . 2]" 1
478 1 20 LYS HD2 1 20 LYS HE3 2.460 . 3.216 2.201 2.123 2.345 . 0 0 "[ . 1 . 2]" 1
479 1 20 LYS HD2 1 20 LYS HG2 2.417 . 3.147 2.477 2.362 2.525 . 0 0 "[ . 1 . 2]" 1
480 1 20 LYS HD3 1 20 LYS HG3 2.165 . 2.751 2.199 2.138 2.226 . 0 0 "[ . 1 . 2]" 1
481 1 20 LYS HE2 1 20 LYS HG2 2.967 . 4.067 3.694 3.613 3.798 . 0 0 "[ . 1 . 2]" 1
482 1 20 LYS HE2 1 20 LYS HG3 2.699 . 3.610 2.839 2.382 4.198 0.588 19 4 "[ . * .- +*]" 1
483 1 20 LYS HE3 1 20 LYS HG2 2.967 . 4.068 3.593 3.077 3.763 . 0 0 "[ . 1 . 2]" 1
484 1 20 LYS HE3 1 20 LYS HG3 2.953 . 4.043 3.060 2.830 3.667 . 0 0 "[ . 1 . 2]" 1
485 1 21 LYS H 1 21 LYS QB 2.126 . 2.691 2.373 2.175 2.463 . 0 0 "[ . 1 . 2]" 1
486 1 21 LYS HA 1 21 LYS QB 1.896 . 2.345 2.368 2.297 2.407 0.062 1 0 "[ . 1 . 2]" 1
487 1 21 LYS HA 1 21 LYS QE 2.770 . 3.729 3.761 3.601 3.932 0.203 12 0 "[ . 1 . 2]" 1
488 1 21 LYS HA 1 21 LYS HG2 2.457 . 3.212 2.714 2.493 3.180 . 0 0 "[ . 1 . 2]" 1
489 1 21 LYS HA 1 21 LYS HG3 2.338 . 3.021 2.873 2.610 3.112 0.091 18 0 "[ . 1 . 2]" 1
490 1 21 LYS HA 1 22 ARG HG2 2.985 . 4.099 3.711 3.568 3.969 . 0 0 "[ . 1 . 2]" 1
491 1 21 LYS HA 1 23 ARG H 3.466 . 4.967 4.084 3.885 4.289 . 0 0 "[ . 1 . 2]" 1
492 1 21 LYS HA 1 24 GLU H 2.408 . 3.133 2.710 2.672 2.740 . 0 0 "[ . 1 . 2]" 1
493 1 21 LYS HA 1 24 GLU HB2 1.886 . 2.331 2.326 2.291 2.367 0.036 20 0 "[ . 1 . 2]" 1
494 1 21 LYS QB 1 21 LYS QD 2.511 . 3.299 2.018 1.933 2.160 . 0 0 "[ . 1 . 2]" 1
495 1 21 LYS QB 1 21 LYS QE 2.683 . 3.583 2.019 1.793 3.465 . 0 0 "[ . 1 . 2]" 1
496 1 21 LYS QB 1 21 LYS HG2 2.276 . 2.924 2.307 2.223 2.361 . 0 0 "[ . 1 . 2]" 1
497 1 21 LYS QB 1 21 LYS HG2 2.355 . 3.048 2.067 2.029 2.099 . 0 0 "[ . 1 . 2]" 1
498 1 21 LYS QB 1 21 LYS HG3 2.213 . 2.825 2.370 2.299 2.456 . 0 0 "[ . 1 . 2]" 1
499 1 21 LYS QB 1 24 GLU H 3.514 . 5.058 4.245 4.139 4.397 . 0 0 "[ . 1 . 2]" 1
500 1 21 LYS QB 1 25 SER HB2 3.622 . 5.262 4.099 3.184 4.771 . 0 0 "[ . 1 . 2]" 1
501 1 21 LYS HB3 1 21 LYS HG3 2.156 . 2.737 1.976 1.918 2.105 . 0 0 "[ . 1 . 2]" 1
502 1 21 LYS HB3 1 25 SER HB3 3.405 . 4.854 4.425 3.935 5.746 0.892 13 4 "[ . 1* + .* -2]" 1
503 1 21 LYS QD 1 21 LYS QE 2.056 . 2.584 1.793 1.732 1.831 . 0 0 "[ . 1 . 2]" 1
504 1 21 LYS QD 1 21 LYS QE 2.008 . 2.512 1.916 1.849 1.956 . 0 0 "[ . 1 . 2]" 1
505 1 21 LYS QD 1 21 LYS HG3 1.942 . 2.414 1.708 1.657 1.761 . 0 0 "[ . 1 . 2]" 1
506 1 21 LYS QD 1 21 LYS HG3 1.969 . 2.454 1.986 1.914 2.065 . 0 0 "[ . 1 . 2]" 1
507 1 21 LYS QE 1 21 LYS HG2 2.712 . 3.631 2.941 2.403 3.472 . 0 0 "[ . 1 . 2]" 1
508 1 21 LYS QE 1 21 LYS HG2 3.096 . 4.294 2.900 2.400 3.296 . 0 0 "[ . 1 . 2]" 1
509 1 21 LYS QE 1 21 LYS HG3 2.651 . 3.529 2.395 2.070 2.843 . 0 0 "[ . 1 . 2]" 1
510 1 21 LYS HG2 1 24 GLU QB 3.477 . 4.989 4.717 4.456 5.031 0.042 15 0 "[ . 1 . 2]" 1
511 1 22 ARG H 1 22 ARG HA 2.576 . 3.405 2.814 2.793 2.842 . 0 0 "[ . 1 . 2]" 1
512 1 22 ARG H 1 23 ARG H 2.547 . 3.358 2.650 2.543 2.765 . 0 0 "[ . 1 . 2]" 1
513 1 22 ARG H 1 24 GLU H 3.265 . 4.597 3.774 3.631 3.889 . 0 0 "[ . 1 . 2]" 1
514 1 22 ARG HA 1 22 ARG QB 2.250 . 2.833 2.416 2.394 2.435 . 0 0 "[ . 1 . 2]" 1
515 1 22 ARG HA 1 22 ARG HG2 2.195 . 2.797 2.468 2.374 2.640 . 0 0 "[ . 1 . 2]" 1
516 1 22 ARG HA 1 22 ARG HG3 2.269 . 2.912 2.901 2.695 2.969 0.057 10 0 "[ . 1 . 2]" 1
517 1 22 ARG HA 1 26 ARG HD2 3.311 . 4.682 4.051 3.683 4.430 . 0 0 "[ . 1 . 2]" 1
518 1 22 ARG HA 1 30 TYR QD 3.460 . 4.957 4.995 4.949 5.054 0.097 13 0 "[ . 1 . 2]" 1
519 1 22 ARG HA 1 30 TYR QE 3.469 . 4.973 4.835 4.761 4.956 . 0 0 "[ . 1 . 2]" 1
520 1 22 ARG QB 1 22 ARG QD 2.384 . 3.094 2.150 2.085 2.271 . 0 0 "[ . 1 . 2]" 1
521 1 22 ARG QB 1 22 ARG QD 2.366 . 3.066 1.875 1.847 1.921 . 0 0 "[ . 1 . 2]" 1
522 1 22 ARG QB 1 22 ARG QD 2.012 . 2.518 1.886 1.789 2.022 . 0 0 "[ . 1 . 2]" 1
523 1 22 ARG QB 1 22 ARG HD3 2.273 . 2.919 2.345 2.192 2.464 . 0 0 "[ . 1 . 2]" 1
524 1 22 ARG QB 1 22 ARG HG3 2.589 . 3.427 2.341 2.312 2.421 . 0 0 "[ . 1 . 2]" 1
525 1 22 ARG QB 1 35 TYR QE 2.865 . 3.891 3.748 3.608 3.877 . 0 0 "[ . 1 . 2]" 1
526 1 22 ARG QB 1 23 ARG H 2.689 . 3.593 2.570 2.372 2.732 . 0 0 "[ . 1 . 2]" 1
527 1 22 ARG QB 1 23 ARG HA 3.499 . 5.030 3.900 3.734 3.999 . 0 0 "[ . 1 . 2]" 1
528 1 22 ARG QB 1 30 TYR QD 2.856 . 3.875 2.992 2.848 3.109 . 0 0 "[ . 1 . 2]" 1
529 1 22 ARG QB 1 30 TYR QE 2.390 . 3.102 2.239 2.147 2.358 . 0 0 "[ . 1 . 2]" 1
530 1 22 ARG QB 1 35 TYR QD 3.510 . 5.050 3.295 2.990 3.557 . 0 0 "[ . 1 . 2]" 1
531 1 22 ARG QB 1 35 TYR QD 2.589 . 3.427 2.832 2.687 2.990 . 0 0 "[ . 1 . 2]" 1
532 1 22 ARG QD 1 22 ARG HG2 2.194 . 2.795 2.259 2.217 2.313 . 0 0 "[ . 1 . 2]" 1
533 1 22 ARG QD 1 22 ARG HG3 2.356 . 3.050 2.320 2.161 2.407 . 0 0 "[ . 1 . 2]" 1
534 1 22 ARG QD 1 30 TYR QE 2.546 . 3.356 2.744 2.346 3.195 . 0 0 "[ . 1 . 2]" 1
535 1 22 ARG QD 1 35 TYR QD 2.192 . 2.793 1.890 1.726 2.186 . 0 0 "[ . 1 . 2]" 1
536 1 22 ARG QD 1 35 TYR QD 2.656 . 3.538 1.975 1.764 2.437 0.010 18 0 "[ . 1 . 2]" 1
537 1 22 ARG QD 1 35 TYR QE 2.351 . 3.042 2.509 2.143 2.795 . 0 0 "[ . 1 . 2]" 1
538 1 22 ARG HD2 1 30 TYR QD 2.803 . 3.785 3.293 3.181 3.407 . 0 0 "[ . 1 . 2]" 1
539 1 22 ARG HD2 1 30 TYR QE 2.055 . 2.583 2.223 2.049 2.379 . 0 0 "[ . 1 . 2]" 1
540 1 22 ARG HD3 1 22 ARG HG2 2.194 . 2.795 2.392 2.283 2.676 . 0 0 "[ . 1 . 2]" 1
541 1 22 ARG HG2 1 23 ARG H 3.026 . 4.171 4.148 4.113 4.184 0.013 17 0 "[ . 1 . 2]" 1
542 1 22 ARG HG2 1 25 SER HB2 2.986 . 4.100 2.869 1.915 4.069 . 0 0 "[ . 1 . 2]" 1
543 1 22 ARG HG2 1 25 SER HB3 3.063 . 4.236 4.307 4.005 4.950 0.714 16 4 "[ . 1* * .+ -2]" 1
544 1 22 ARG HG2 1 30 TYR QE 2.789 . 3.762 3.858 3.819 3.907 0.145 8 0 "[ . 1 . 2]" 1
545 1 22 ARG HG3 1 30 TYR QE 3.433 . 4.906 4.429 4.214 4.756 . 0 0 "[ . 1 . 2]" 1
546 1 23 ARG H 1 23 ARG HA 2.823 . 3.819 2.829 2.807 2.854 . 0 0 "[ . 1 . 2]" 1
547 1 23 ARG H 1 23 ARG HB2 2.484 . 3.255 2.622 2.522 2.692 . 0 0 "[ . 1 . 2]" 1
548 1 23 ARG H 1 23 ARG HD3 3.469 . 4.974 4.289 4.199 4.367 . 0 0 "[ . 1 . 2]" 1
549 1 23 ARG H 1 24 GLU H 2.632 . 3.498 2.606 2.493 2.699 . 0 0 "[ . 1 . 2]" 1
550 1 23 ARG H 1 30 TYR HB3 3.526 . 5.080 4.017 3.896 4.100 . 0 0 "[ . 1 . 2]" 1
551 1 23 ARG HA 1 23 ARG HB2 2.397 . 3.115 2.412 2.378 2.446 . 0 0 "[ . 1 . 2]" 1
552 1 23 ARG HA 1 23 ARG HB2 2.365 . 3.064 1.928 1.889 2.007 . 0 0 "[ . 1 . 2]" 1
553 1 23 ARG HA 1 23 ARG HB3 2.556 . 3.372 3.018 3.011 3.025 . 0 0 "[ . 1 . 2]" 1
554 1 23 ARG HA 1 23 ARG HB3 2.260 . 2.898 2.452 2.399 2.495 . 0 0 "[ . 1 . 2]" 1
555 1 23 ARG HA 1 23 ARG HD2 2.923 . 3.991 4.003 3.918 4.095 0.104 13 0 "[ . 1 . 2]" 1
556 1 23 ARG HA 1 23 ARG HG2 2.561 . 3.381 3.439 3.406 3.464 0.083 1 0 "[ . 1 . 2]" 1
557 1 23 ARG HA 1 23 ARG HG3 2.405 . 3.128 2.527 2.478 2.573 . 0 0 "[ . 1 . 2]" 1
558 1 23 ARG HA 1 24 GLU HB3 2.915 . 3.977 4.077 4.030 4.147 0.170 13 0 "[ . 1 . 2]" 1
559 1 23 ARG HA 1 26 ARG HB2 2.916 . 3.979 2.596 2.520 2.663 . 0 0 "[ . 1 . 2]" 1
560 1 23 ARG HA 1 26 ARG HD2 3.089 . 4.282 3.810 3.525 4.197 . 0 0 "[ . 1 . 2]" 1
561 1 23 ARG HA 1 30 TYR HA 3.126 . 4.347 4.412 4.354 4.470 0.123 3 0 "[ . 1 . 2]" 1
562 1 23 ARG HA 1 30 TYR HB2 2.356 . 3.050 2.135 2.061 2.275 . 0 0 "[ . 1 . 2]" 1
563 1 23 ARG HA 1 30 TYR HB3 2.300 . 2.962 1.840 1.759 1.902 . 0 0 "[ . 1 . 2]" 1
564 1 23 ARG HA 1 30 TYR QD 2.462 . 3.220 2.604 2.451 2.805 . 0 0 "[ . 1 . 2]" 1
565 1 23 ARG HA 1 30 TYR QE 3.286 . 4.636 4.521 4.395 4.639 0.003 19 0 "[ . 1 . 2]" 1
566 1 23 ARG HB2 1 23 ARG HD2 2.715 . 3.636 2.414 2.264 2.573 . 0 0 "[ . 1 . 2]" 1
567 1 23 ARG HB2 1 23 ARG HD3 2.504 . 3.288 2.671 2.489 2.810 . 0 0 "[ . 1 . 2]" 1
568 1 23 ARG HB2 1 35 TYR HB2 3.192 . 4.466 4.190 2.940 4.619 0.153 6 0 "[ . 1 . 2]" 1
569 1 23 ARG HB2 1 30 TYR HB3 2.818 . 3.810 2.297 2.163 2.441 . 0 0 "[ . 1 . 2]" 1
570 1 23 ARG HB2 1 30 TYR QD 2.971 . 4.074 2.087 1.948 2.167 . 0 0 "[ . 1 . 2]" 1
571 1 23 ARG HB2 1 30 TYR QE 3.385 . 4.817 4.299 4.160 4.411 . 0 0 "[ . 1 . 2]" 1
572 1 23 ARG HB3 1 23 ARG HD2 2.690 . 3.594 3.359 3.240 3.474 . 0 0 "[ . 1 . 2]" 1
573 1 23 ARG HB3 1 23 ARG HD3 2.502 . 3.285 2.654 2.527 2.757 . 0 0 "[ . 1 . 2]" 1
574 1 23 ARG HB3 1 23 ARG HG2 2.473 . 3.238 2.316 2.298 2.336 . 0 0 "[ . 1 . 2]" 1
575 1 23 ARG HB3 1 23 ARG HG3 2.491 . 3.267 2.990 2.983 3.002 . 0 0 "[ . 1 . 2]" 1
576 1 23 ARG HB3 1 24 GLU H 2.955 . 4.047 2.736 2.637 2.901 . 0 0 "[ . 1 . 2]" 1
577 1 23 ARG HB3 1 30 TYR HB3 3.121 . 4.338 3.065 2.993 3.138 . 0 0 "[ . 1 . 2]" 1
578 1 23 ARG HB3 1 30 TYR HB3 3.046 . 4.205 3.653 3.583 3.717 . 0 0 "[ . 1 . 2]" 1
579 1 23 ARG HB3 1 30 TYR QD 2.689 . 3.593 3.586 3.443 3.652 0.059 18 0 "[ . 1 . 2]" 1
580 1 23 ARG HD2 1 23 ARG HG3 1.881 . 2.323 2.385 2.302 2.448 0.125 11 0 "[ . 1 . 2]" 1
581 1 23 ARG HD2 1 29 LYS QG 3.626 . 5.270 4.765 3.479 5.887 0.617 7 2 "[ . + 1 - 2]" 1
582 1 23 ARG HD2 1 30 TYR H 3.487 . 5.007 3.492 3.284 3.803 . 0 0 "[ . 1 . 2]" 1
583 1 23 ARG HD2 1 31 SER HA 3.727 . 5.464 3.901 3.469 4.151 . 0 0 "[ . 1 . 2]" 1
584 1 23 ARG HD3 1 23 ARG QG 2.421 . 3.154 2.387 2.335 2.454 . 0 0 "[ . 1 . 2]" 1
585 1 23 ARG HD3 1 23 ARG HG2 2.549 . 3.361 2.387 2.316 2.470 . 0 0 "[ . 1 . 2]" 1
586 1 23 ARG HD3 1 23 ARG HG3 2.521 . 3.316 3.012 2.990 3.021 . 0 0 "[ . 1 . 2]" 1
587 1 23 ARG HG2 1 24 GLU H 3.120 . 4.337 3.788 3.600 3.988 . 0 0 "[ . 1 . 2]" 1
588 1 23 ARG HG2 1 30 TYR H 3.065 . 4.240 3.809 3.685 3.901 . 0 0 "[ . 1 . 2]" 1
589 1 23 ARG HG2 1 30 TYR HB3 2.946 . 4.031 3.553 3.468 3.649 . 0 0 "[ . 1 . 2]" 1
590 1 23 ARG HG2 1 28 GLY H 3.085 . 4.274 3.455 3.296 3.673 . 0 0 "[ . 1 . 2]" 1
591 1 23 ARG HG2 1 28 GLY HA2 2.635 . 3.503 2.250 2.026 2.421 . 0 0 "[ . 1 . 2]" 1
592 1 23 ARG HG2 1 28 GLY HA3 2.799 . 3.778 3.607 3.447 3.766 . 0 0 "[ . 1 . 2]" 1
593 1 23 ARG HG2 1 30 TYR HB3 3.120 . 4.337 3.379 3.312 3.464 . 0 0 "[ . 1 . 2]" 1
594 1 23 ARG HG3 1 28 GLY HA2 2.785 . 3.754 2.576 2.482 2.672 . 0 0 "[ . 1 . 2]" 1
595 1 23 ARG HG3 1 28 GLY HA3 2.969 . 4.071 4.137 4.086 4.185 0.114 17 0 "[ . 1 . 2]" 1
596 1 23 ARG HG3 1 30 TYR HA 3.415 . 4.873 4.517 4.374 4.648 . 0 0 "[ . 1 . 2]" 1
597 1 23 ARG HG3 1 30 TYR HB3 2.814 . 3.804 2.153 2.041 2.290 . 0 0 "[ . 1 . 2]" 1
598 1 23 ARG HG3 1 31 SER HA 3.302 . 4.665 4.299 4.167 4.364 . 0 0 "[ . 1 . 2]" 1
599 1 23 ARG HG3 1 31 SER HB3 3.497 . 5.026 5.095 4.681 5.353 0.327 16 0 "[ . 1 . 2]" 1
600 1 24 GLU HA 1 24 GLU QB 1.848 . 2.275 1.977 1.897 2.014 . 0 0 "[ . 1 . 2]" 1
601 1 24 GLU HA 1 24 GLU QG 2.319 . 2.991 2.544 2.407 2.885 . 0 0 "[ . 1 . 2]" 1
602 1 24 GLU HA 1 24 GLU QG 2.317 . 2.988 2.205 2.100 2.318 . 0 0 "[ . 1 . 2]" 1
603 1 24 GLU HB2 1 24 GLU HG3 1.397 . 1.641 1.568 1.544 1.624 . 0 0 "[ . 1 . 2]" 1
604 1 24 GLU QB 1 25 SER HB2 3.700 . 5.411 4.283 4.033 4.912 . 0 0 "[ . 1 . 2]" 1
605 1 24 GLU QB 1 25 SER HB3 3.275 . 4.616 4.709 4.479 5.231 0.615 11 4 "[ . 1+ * .* -2]" 1
606 1 24 GLU HB3 1 24 GLU QG 1.482 . 1.757 1.611 1.583 1.647 . 0 0 "[ . 1 . 2]" 1
607 1 24 GLU QG 1 25 SER H 3.322 . 4.702 3.686 3.489 3.926 . 0 0 "[ . 1 . 2]" 1
608 1 24 GLU QG 1 25 SER HA 3.232 . 4.538 3.798 3.567 4.156 . 0 0 "[ . 1 . 2]" 1
609 1 24 GLU QG 1 25 SER HB2 3.022 . 4.164 2.378 1.940 3.182 . 0 0 "[ . 1 . 2]" 1
610 1 25 SER H 1 25 SER QB 2.240 . 2.867 2.292 2.226 2.580 . 0 0 "[ . 1 . 2]" 1
611 1 25 SER H 1 26 ARG H 2.537 . 3.341 2.647 2.556 2.717 . 0 0 "[ . 1 . 2]" 1
612 1 25 SER HA 1 25 SER HB2 2.001 . 2.502 2.585 2.425 3.027 0.525 16 4 "[ . 1* - .+ *2]" 1
613 1 25 SER HA 1 26 ARG H 2.657 . 3.539 2.776 2.766 2.784 . 0 0 "[ . 1 . 2]" 1
614 1 25 SER QB 1 26 ARG H 2.683 . 3.583 2.861 2.670 3.062 . 0 0 "[ . 1 . 2]" 1
615 1 25 SER QB 1 26 ARG HG3 3.215 . 4.507 4.429 4.184 4.599 0.092 6 0 "[ . 1 . 2]" 1
616 1 25 SER HB3 1 26 ARG HA 3.032 . 4.181 3.836 3.783 3.932 . 0 0 "[ . 1 . 2]" 1
617 1 25 SER HB3 1 26 ARG HD2 3.673 . 5.359 2.887 2.509 3.937 . 0 0 "[ . 1 . 2]" 1
618 1 26 ARG H 1 26 ARG HD2 3.273 . 4.612 2.624 2.414 3.010 . 0 0 "[ . 1 . 2]" 1
619 1 26 ARG HA 1 26 ARG HB2 2.316 . 2.986 2.979 2.963 2.988 0.002 12 0 "[ . 1 . 2]" 1
620 1 26 ARG HA 1 26 ARG HB3 2.202 . 2.808 2.645 2.616 2.671 . 0 0 "[ . 1 . 2]" 1
621 1 26 ARG HA 1 26 ARG HD2 2.798 . 3.776 3.254 3.067 3.489 . 0 0 "[ . 1 . 2]" 1
622 1 26 ARG HA 1 26 ARG HG3 2.101 . 2.653 2.223 2.194 2.272 . 0 0 "[ . 1 . 2]" 1
623 1 26 ARG HB2 1 26 ARG HD2 2.500 . 3.281 2.584 2.490 2.750 . 0 0 "[ . 1 . 2]" 1
624 1 26 ARG HB2 1 26 ARG HD3 2.572 . 3.399 2.397 2.324 2.468 . 0 0 "[ . 1 . 2]" 1
625 1 26 ARG HB2 1 30 TYR HA 3.242 . 4.556 4.069 3.952 4.189 . 0 0 "[ . 1 . 2]" 1
626 1 26 ARG HB2 1 30 TYR HB2 2.691 . 3.596 1.830 1.778 1.916 0.008 5 0 "[ . 1 . 2]" 1
627 1 26 ARG HB2 1 30 TYR HB3 3.200 . 4.480 3.295 3.167 3.420 . 0 0 "[ . 1 . 2]" 1
628 1 26 ARG HB3 1 26 ARG HD2 2.740 . 3.678 3.683 3.639 3.738 0.060 18 0 "[ . 1 . 2]" 1
629 1 26 ARG HB3 1 26 ARG HD3 2.595 . 3.437 3.500 3.442 3.540 0.103 13 0 "[ . 1 . 2]" 1
630 1 26 ARG HB3 1 26 ARG HG2 2.292 . 2.949 2.269 2.242 2.296 . 0 0 "[ . 1 . 2]" 1
631 1 26 ARG HB3 1 26 ARG QG 2.176 . 2.768 2.148 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
632 1 26 ARG HB3 1 26 ARG HG3 2.394 . 3.111 2.654 2.609 2.714 . 0 0 "[ . 1 . 2]" 1
633 1 26 ARG HB3 1 30 TYR HB2 2.600 . 3.445 2.728 2.626 2.844 . 0 0 "[ . 1 . 2]" 1
634 1 26 ARG HB3 1 30 TYR QD 3.680 . 5.372 4.021 3.897 4.163 . 0 0 "[ . 1 . 2]" 1
635 1 26 ARG HD2 1 26 ARG HG2 2.535 . 3.338 2.999 2.991 3.009 . 0 0 "[ . 1 . 2]" 1
636 1 26 ARG HD2 1 26 ARG QG 2.306 . 2.971 2.373 2.335 2.402 . 0 0 "[ . 1 . 2]" 1
637 1 26 ARG HD2 1 26 ARG HG3 2.556 . 3.373 2.487 2.435 2.530 . 0 0 "[ . 1 . 2]" 1
638 1 26 ARG HD2 1 30 TYR HA 3.773 . 5.553 5.628 5.561 5.712 0.159 15 0 "[ . 1 . 2]" 1
639 1 26 ARG HD2 1 30 TYR QD 2.906 . 3.961 4.050 3.945 4.100 0.139 7 0 "[ . 1 . 2]" 1
640 1 26 ARG HD2 1 30 TYR QD 2.665 . 3.553 2.991 2.796 3.134 . 0 0 "[ . 1 . 2]" 1
641 1 26 ARG HD2 1 30 TYR QE 3.420 . 4.882 4.761 4.568 4.886 0.004 9 0 "[ . 1 . 2]" 1
642 1 26 ARG HD3 1 26 ARG QG 2.296 . 2.955 2.296 2.263 2.328 . 0 0 "[ . 1 . 2]" 1
643 1 26 ARG HD3 1 26 ARG HG2 2.449 . 3.199 2.296 2.252 2.341 . 0 0 "[ . 1 . 2]" 1
644 1 26 ARG HD3 1 26 ARG HG3 2.593 . 3.434 3.002 2.991 3.009 . 0 0 "[ . 1 . 2]" 1
645 1 26 ARG HD3 1 30 TYR HA 3.705 . 5.421 4.114 4.015 4.209 . 0 0 "[ . 1 . 2]" 1
646 1 26 ARG HD3 1 30 TYR QD 2.259 . 2.897 2.322 2.193 2.380 . 0 0 "[ . 1 . 2]" 1
647 1 26 ARG HD3 1 30 TYR QE 2.590 . 3.428 3.381 3.235 3.495 0.067 18 0 "[ . 1 . 2]" 1
648 1 26 ARG HD3 1 30 TYR QD 2.808 . 3.794 2.571 2.375 2.667 . 0 0 "[ . 1 . 2]" 1
649 1 26 ARG HD3 1 30 TYR QE 3.367 . 4.784 3.501 3.320 3.652 . 0 0 "[ . 1 . 2]" 1
650 1 26 ARG HG2 1 30 TYR HA 3.540 . 5.107 3.722 3.409 4.089 . 0 0 "[ . 1 . 2]" 1
651 1 26 ARG HG2 1 30 TYR QD 2.587 . 3.424 2.607 2.353 2.898 . 0 0 "[ . 1 . 2]" 1
652 1 26 ARG HG3 1 30 TYR QD 3.493 . 5.018 4.197 3.974 4.464 . 0 0 "[ . 1 . 2]" 1
653 1 27 GLY HA3 1 29 LYS QG 3.940 . 5.881 4.312 3.759 5.294 . 0 0 "[ . 1 . 2]" 1
654 1 28 GLY H 1 28 GLY HA2 2.355 . 3.049 2.356 2.328 2.388 . 0 0 "[ . 1 . 2]" 1
655 1 28 GLY H 1 29 LYS H 2.674 . 3.567 2.672 2.503 2.812 . 0 0 "[ . 1 . 2]" 1
656 1 28 GLY HA2 1 29 LYS H 3.122 . 4.340 3.414 3.333 3.471 . 0 0 "[ . 1 . 2]" 1
657 1 28 GLY HA2 1 29 LYS QG 3.731 . 5.471 5.070 4.861 5.358 . 0 0 "[ . 1 . 2]" 1
658 1 28 GLY HA3 1 29 LYS H 3.094 . 4.290 3.081 2.978 3.185 . 0 0 "[ . 1 . 2]" 1
659 1 29 LYS H 1 29 LYS HA 2.831 . 3.833 2.891 2.869 2.915 . 0 0 "[ . 1 . 2]" 1
660 1 29 LYS H 1 29 LYS QG 2.775 . 3.738 2.661 2.327 3.229 . 0 0 "[ . 1 . 2]" 1
661 1 29 LYS H 1 30 TYR H 3.364 . 4.779 3.610 3.498 3.757 . 0 0 "[ . 1 . 2]" 1
662 1 29 LYS HA 1 29 LYS HB2 2.353 . 3.045 3.007 2.976 3.015 . 0 0 "[ . 1 . 2]" 1
663 1 29 LYS HA 1 29 LYS HB3 2.026 . 2.539 2.467 2.416 2.546 0.007 5 0 "[ . 1 . 2]" 1
664 1 29 LYS HA 1 29 LYS HB3 2.016 . 2.524 2.327 2.265 2.417 . 0 0 "[ . 1 . 2]" 1
665 1 29 LYS HA 1 29 LYS QD 2.591 . 3.430 3.496 1.885 3.830 0.400 9 0 "[ . 1 . 2]" 1
666 1 29 LYS HA 1 29 LYS QE 3.712 . 5.434 4.485 3.657 5.019 . 0 0 "[ . 1 . 2]" 1
667 1 29 LYS HA 1 29 LYS QG 2.538 . 2.705 2.313 2.187 2.673 . 0 0 "[ . 1 . 2]" 1
668 1 29 LYS HA 1 30 TYR HB2 3.470 . 4.975 4.848 4.748 4.955 . 0 0 "[ . 1 . 2]" 1
669 1 29 LYS HB2 1 29 LYS QG 2.323 . 2.998 2.281 2.159 2.482 . 0 0 "[ . 1 . 2]" 1
670 1 29 LYS HB2 1 29 LYS QG 2.194 . 2.796 1.978 1.877 2.114 . 0 0 "[ . 1 . 2]" 1
671 1 29 LYS HB3 1 29 LYS QD 1.878 . 2.319 1.953 1.879 2.070 . 0 0 "[ . 1 . 2]" 1
672 1 29 LYS HB3 1 29 LYS QG 2.574 . 2.996 2.367 2.135 2.488 . 0 0 "[ . 1 . 2]" 1
673 1 29 LYS HB3 1 30 TYR H 3.260 . 4.588 4.293 4.191 4.354 . 0 0 "[ . 1 . 2]" 1
674 1 29 LYS HB3 1 30 TYR HA 3.673 . 5.359 4.774 4.619 4.860 . 0 0 "[ . 1 . 2]" 1
675 1 29 LYS HD2 1 29 LYS HE2 2.121 . 2.684 2.150 2.029 2.276 . 0 0 "[ . 1 . 2]" 1
676 1 29 LYS QD 1 29 LYS QE 2.214 . 2.827 2.043 2.000 2.091 . 0 0 "[ . 1 . 2]" 1
677 1 29 LYS QD 1 29 LYS QG 2.036 . 2.554 2.072 1.993 2.091 . 0 0 "[ . 1 . 2]" 1
678 1 29 LYS HD2 1 29 LYS HG3 1.842 . 2.266 1.716 1.676 1.780 . 0 0 "[ . 1 . 2]" 1
679 1 29 LYS HD2 1 29 LYS HG3 1.944 . 2.416 1.807 1.763 1.855 . 0 0 "[ . 1 . 2]" 1
680 1 29 LYS QE 1 29 LYS QG 2.848 . 3.862 2.103 1.984 2.253 . 0 0 "[ . 1 . 2]" 1
681 1 29 LYS HE2 1 29 LYS QG 2.787 . 3.758 2.058 1.909 2.334 . 0 0 "[ . 1 . 2]" 1
682 1 29 LYS HE2 1 29 LYS QG 2.588 . 3.425 2.131 1.991 2.664 . 0 0 "[ . 1 . 2]" 1
683 1 30 TYR H 1 30 TYR HA 2.675 . 3.570 2.914 2.901 2.934 . 0 0 "[ . 1 . 2]" 1
684 1 30 TYR H 1 30 TYR HB2 2.669 . 3.559 3.166 3.080 3.281 . 0 0 "[ . 1 . 2]" 1
685 1 30 TYR H 1 31 SER H 3.203 . 4.486 3.807 3.634 3.927 . 0 0 "[ . 1 . 2]" 1
686 1 30 TYR HA 1 30 TYR HB2 2.335 . 3.017 2.539 2.500 2.575 . 0 0 "[ . 1 . 2]" 1
687 1 30 TYR HA 1 30 TYR HB3 2.475 . 3.241 3.009 3.001 3.018 . 0 0 "[ . 1 . 2]" 1
688 1 30 TYR HA 1 30 TYR QD 2.083 . 2.625 2.270 2.179 2.435 . 0 0 "[ . 1 . 2]" 1
689 1 30 TYR HA 1 30 TYR QE 3.769 . 5.545 4.362 4.307 4.419 . 0 0 "[ . 1 . 2]" 1
690 1 30 TYR HA 1 31 SER H 2.332 . 3.012 2.217 2.178 2.298 . 0 0 "[ . 1 . 2]" 1
691 1 30 TYR HA 1 34 ASP HB2 3.486 . 5.005 3.758 3.120 4.304 . 0 0 "[ . 1 . 2]" 1
692 1 30 TYR HA 1 34 ASP HB3 3.079 . 4.264 4.074 3.802 4.310 0.046 6 0 "[ . 1 . 2]" 1
693 1 30 TYR HB2 1 30 TYR QD 2.347 . 3.036 2.647 2.578 2.683 . 0 0 "[ . 1 . 2]" 1
694 1 30 TYR HB2 1 30 TYR QE 3.124 . 4.344 4.217 4.118 4.319 . 0 0 "[ . 1 . 2]" 1
695 1 30 TYR HB2 1 31 SER H 3.395 . 4.836 4.553 4.483 4.630 . 0 0 "[ . 1 . 2]" 1
696 1 30 TYR HB3 1 30 TYR QD 2.352 . 3.044 2.285 2.274 2.298 . 0 0 "[ . 1 . 2]" 1
697 1 30 TYR HB3 1 30 TYR QE 3.258 . 4.585 4.384 4.377 4.390 . 0 0 "[ . 1 . 2]" 1
698 1 30 TYR QD 1 34 ASP HB2 2.705 . 3.620 3.497 3.104 3.945 0.325 18 0 "[ . 1 . 2]" 1
699 1 30 TYR QD 1 34 ASP HB3 2.896 . 3.944 3.084 2.850 3.269 . 0 0 "[ . 1 . 2]" 1
700 1 30 TYR QE 1 34 ASP HA 3.166 . 4.419 4.465 4.404 4.585 0.166 8 0 "[ . 1 . 2]" 1
701 1 30 TYR QE 1 34 ASP HB2 2.449 . 3.199 3.475 3.209 3.819 0.620 5 8 "[ *+ ***1 * . *- 2]" 1
702 1 30 TYR QE 1 34 ASP HB3 2.762 . 3.716 2.380 2.173 2.627 . 0 0 "[ . 1 . 2]" 1
703 1 30 TYR QE 1 35 TYR HA 2.603 . 3.450 3.268 2.793 3.505 0.055 18 0 "[ . 1 . 2]" 1
704 1 30 TYR QE 1 35 TYR HB2 2.676 . 3.571 2.297 2.154 2.395 . 0 0 "[ . 1 . 2]" 1
705 1 30 TYR QE 1 35 TYR HB3 2.941 . 4.022 3.997 3.851 4.089 0.067 5 0 "[ . 1 . 2]" 1
706 1 30 TYR QE 1 35 TYR QD 2.252 . 2.886 2.477 2.232 2.715 . 0 0 "[ . 1 . 2]" 1
707 1 31 SER H 1 31 SER HA 2.894 . 3.941 2.879 2.855 2.907 . 0 0 "[ . 1 . 2]" 1
708 1 31 SER H 1 31 SER HB2 2.801 . 3.782 3.205 2.867 3.656 . 0 0 "[ . 1 . 2]" 1
709 1 31 SER H 1 31 SER HB3 3.083 . 4.271 3.401 2.816 3.617 . 0 0 "[ . 1 . 2]" 1
710 1 31 SER H 1 34 ASP H 3.205 . 4.489 3.802 3.474 4.097 . 0 0 "[ . 1 . 2]" 1
711 1 31 SER H 1 34 ASP HB2 2.680 . 3.578 3.076 2.819 3.424 . 0 0 "[ . 1 . 2]" 1
712 1 31 SER H 1 34 ASP HB3 2.994 . 4.115 3.958 3.597 4.212 0.097 1 0 "[ . 1 . 2]" 1
713 1 31 SER HA 1 31 SER HB2 2.081 . 2.622 2.807 2.472 2.921 0.299 18 0 "[ . 1 . 2]" 1
714 1 31 SER HA 1 31 SER HB3 2.023 . 2.534 2.230 2.210 2.375 . 0 0 "[ . 1 . 2]" 1
715 1 31 SER HA 1 32 ILE H 2.405 . 3.128 2.433 2.341 2.522 . 0 0 "[ . 1 . 2]" 1
716 1 31 SER HA 1 32 ILE HA 3.887 . 5.775 4.265 4.214 4.305 . 0 0 "[ . 1 . 2]" 1
717 1 31 SER HA 1 32 ILE HB 3.729 . 5.467 4.490 4.337 4.584 . 0 0 "[ . 1 . 2]" 1
718 1 31 SER HA 1 32 ILE MG 3.262 . 4.592 4.541 4.396 4.655 0.063 13 0 "[ . 1 . 2]" 1
719 1 31 SER HA 1 33 ASP H 3.482 . 4.997 4.214 3.998 4.349 . 0 0 "[ . 1 . 2]" 1
720 1 31 SER HB2 1 32 ILE HB 3.415 . 4.873 4.864 4.088 5.219 0.346 18 0 "[ . 1 . 2]" 1
721 1 31 SER HB2 1 32 ILE MG 3.411 . 4.865 3.663 3.090 4.027 . 0 0 "[ . 1 . 2]" 1
722 1 31 SER HB2 1 33 ASP HB2 3.239 . 4.550 3.333 2.690 4.282 . 0 0 "[ . 1 . 2]" 1
723 1 31 SER HB2 1 33 ASP HB3 3.565 . 5.154 3.918 2.884 5.128 . 0 0 "[ . 1 . 2]" 1
724 1 31 SER HB2 1 34 ASP H 3.284 . 4.632 2.891 2.487 3.817 . 0 0 "[ . 1 . 2]" 1
725 1 31 SER HB3 1 32 ILE H 2.609 . 3.460 2.915 2.586 3.416 . 0 0 "[ . 1 . 2]" 1
726 1 31 SER HB3 1 32 ILE HA 3.733 . 5.475 5.386 5.089 5.735 0.260 16 0 "[ . 1 . 2]" 1
727 1 31 SER HB3 1 32 ILE MG 3.287 . 4.637 4.241 3.811 4.644 0.007 16 0 "[ . 1 . 2]" 1
728 1 31 SER HB3 1 33 ASP HB2 3.268 . 4.603 4.550 4.024 5.222 0.619 8 3 "[ . + 1 - . * 2]" 1
729 1 31 SER HB3 1 33 ASP HB3 3.732 . 5.473 5.186 4.405 5.666 0.193 16 0 "[ . 1 . 2]" 1
730 1 32 ILE H 1 32 ILE HA 2.840 . 3.848 2.819 2.764 2.847 . 0 0 "[ . 1 . 2]" 1
731 1 32 ILE H 1 32 ILE HB 2.410 . 3.136 2.354 2.249 2.445 . 0 0 "[ . 1 . 2]" 1
732 1 32 ILE H 1 32 ILE MD 3.297 . 4.656 3.960 3.797 4.164 . 0 0 "[ . 1 . 2]" 1
733 1 32 ILE H 1 32 ILE MG 2.694 . 3.601 2.443 2.356 2.518 . 0 0 "[ . 1 . 2]" 1
734 1 32 ILE H 1 33 ASP H 2.650 . 3.528 2.593 2.480 2.665 . 0 0 "[ . 1 . 2]" 1
735 1 32 ILE HA 1 32 ILE HB 2.291 . 2.947 2.568 2.534 2.623 . 0 0 "[ . 1 . 2]" 1
736 1 32 ILE HA 1 32 ILE MD 2.312 . 2.980 2.456 1.795 3.088 0.108 2 0 "[ . 1 . 2]" 1
737 1 32 ILE HA 1 32 ILE QG 2.695 . 3.603 2.334 1.997 2.861 . 0 0 "[ . 1 . 2]" 1
738 1 32 ILE HA 1 32 ILE MG 2.552 . 3.366 3.178 3.154 3.190 . 0 0 "[ . 1 . 2]" 1
739 1 32 ILE HA 1 33 ASP HA 3.446 . 4.930 4.767 4.706 4.812 . 0 0 "[ . 1 . 2]" 1
740 1 32 ILE HA 1 35 TYR HB3 2.430 . 3.168 2.513 2.210 2.737 . 0 0 "[ . 1 . 2]" 1
741 1 32 ILE HA 1 35 TYR QD 2.903 . 3.956 4.066 4.015 4.159 0.203 8 0 "[ . 1 . 2]" 1
742 1 32 ILE HA 1 36 LEU MD1 3.758 . 5.524 4.493 4.404 4.630 . 0 0 "[ . 1 . 2]" 1
743 1 32 ILE HB 1 32 ILE MD 2.726 . 3.655 2.257 2.154 2.544 . 0 0 "[ . 1 . 2]" 1
744 1 32 ILE HB 1 32 ILE QG 2.444 . 3.191 2.481 2.284 2.541 . 0 0 "[ . 1 . 2]" 1
745 1 32 ILE HB 1 32 ILE MG 2.061 . 2.592 2.126 2.118 2.134 . 0 0 "[ . 1 . 2]" 1
746 1 32 ILE HB 1 33 ASP H 2.785 . 3.754 3.744 3.658 3.828 0.074 5 0 "[ . 1 . 2]" 1
747 1 32 ILE HB 1 34 ASP H 3.403 . 4.851 4.621 4.430 4.811 . 0 0 "[ . 1 . 2]" 1
748 1 32 ILE MD 1 32 ILE QG 2.037 . 2.523 1.872 1.862 1.878 . 0 0 "[ . 1 . 2]" 1
749 1 32 ILE MD 1 32 ILE MG 2.333 . 3.013 3.035 2.667 3.220 0.207 18 0 "[ . 1 . 2]" 1
750 1 32 ILE MD 1 35 TYR HB2 3.187 . 4.457 4.211 3.252 4.527 0.070 5 0 "[ . 1 . 2]" 1
751 1 32 ILE MD 1 35 TYR HB3 2.673 . 3.566 3.370 2.265 3.697 0.131 5 0 "[ . 1 . 2]" 1
752 1 32 ILE MD 1 35 TYR QD 2.562 . 3.383 3.318 2.679 3.483 0.100 4 0 "[ . 1 . 2]" 1
753 1 32 ILE MD 1 35 TYR QE 3.128 . 4.351 4.335 3.918 4.473 0.122 16 0 "[ . 1 . 2]" 1
754 1 32 ILE MD 1 36 LEU HG 2.747 . 3.691 3.723 3.216 3.856 0.165 17 0 "[ . 1 . 2]" 1
755 1 32 ILE QG 1 32 ILE MG 2.366 . 3.066 2.072 2.049 2.100 . 0 0 "[ . 1 . 2]" 1
756 1 32 ILE QG 1 35 TYR QD 3.488 . 5.008 2.951 2.646 3.613 . 0 0 "[ . 1 . 2]" 1
757 1 32 ILE QG 1 36 LEU HG 2.896 . 3.944 2.125 2.027 2.205 . 0 0 "[ . 1 . 2]" 1
758 1 32 ILE MG 1 33 ASP HB2 3.303 . 4.667 3.555 2.906 3.912 . 0 0 "[ . 1 . 2]" 1
759 1 32 ILE MG 1 33 ASP HB3 3.384 . 4.816 3.624 2.852 4.071 . 0 0 "[ . 1 . 2]" 1
760 1 32 ILE MG 1 36 LEU H 2.652 . 3.531 3.171 3.094 3.295 . 0 0 "[ . 1 . 2]" 1
761 1 32 ILE MG 1 36 LEU HB3 3.213 . 4.504 4.671 4.594 4.744 0.240 13 0 "[ . 1 . 2]" 1
762 1 32 ILE MG 1 36 LEU HG 2.426 . 3.161 2.741 2.603 2.920 . 0 0 "[ . 1 . 2]" 1
763 1 33 ASP H 1 33 ASP HA 2.482 . 3.252 2.819 2.799 2.858 . 0 0 "[ . 1 . 2]" 1
764 1 33 ASP H 1 33 ASP HB2 2.443 . 3.189 2.747 2.210 3.615 0.426 8 0 "[ . 1 . 2]" 1
765 1 33 ASP HA 1 33 ASP HB2 2.225 . 2.844 2.727 2.326 3.012 0.168 18 0 "[ . 1 . 2]" 1
766 1 33 ASP HA 1 33 ASP HB2 2.340 . 3.024 2.452 2.174 2.687 . 0 0 "[ . 1 . 2]" 1
767 1 33 ASP HA 1 33 ASP HB3 2.172 . 2.762 2.629 2.406 3.009 0.247 2 0 "[ . 1 . 2]" 1
768 1 33 ASP HA 1 33 ASP HB3 2.330 . 3.008 2.332 2.193 2.482 . 0 0 "[ . 1 . 2]" 1
769 1 33 ASP HA 1 34 ASP H 2.596 . 3.439 2.714 2.694 2.737 . 0 0 "[ . 1 . 2]" 1
770 1 33 ASP HA 1 36 LEU H 2.963 . 4.061 3.002 2.869 3.132 . 0 0 "[ . 1 . 2]" 1
771 1 33 ASP HA 1 36 LEU HA 3.327 . 4.711 4.810 4.715 4.943 0.232 2 0 "[ . 1 . 2]" 1
772 1 33 ASP HA 1 36 LEU HB2 2.404 . 3.126 2.039 1.979 2.117 . 0 0 "[ . 1 . 2]" 1
773 1 33 ASP HA 1 36 LEU HB3 2.759 . 3.711 3.667 3.605 3.736 0.025 2 0 "[ . 1 . 2]" 1
774 1 33 ASP HA 1 36 LEU MD1 2.240 . 2.867 2.357 2.143 2.735 . 0 0 "[ . 1 . 2]" 1
775 1 33 ASP HA 1 36 LEU HG 3.023 . 4.165 3.091 2.842 3.421 . 0 0 "[ . 1 . 2]" 1
776 1 33 ASP HB2 1 37 ALA MB 3.059 . 4.229 4.050 3.336 4.310 0.081 13 0 "[ . 1 . 2]" 1
777 1 33 ASP HB2 1 36 LEU MD1 3.794 . 5.593 4.273 3.493 4.802 . 0 0 "[ . 1 . 2]" 1
778 1 33 ASP HB3 1 34 ASP H 2.564 . 3.386 2.904 2.582 3.376 . 0 0 "[ . 1 . 2]" 1
779 1 33 ASP HB3 1 37 ALA MB 2.972 . 4.076 4.288 3.836 4.946 0.870 9 5 "[ - * *+1 . * 2]" 1
780 1 33 ASP HB3 1 36 LEU MD1 3.418 . 4.878 4.221 3.363 4.812 . 0 0 "[ . 1 . 2]" 1
781 1 34 ASP H 1 34 ASP HB2 2.368 . 3.069 2.432 2.299 2.636 . 0 0 "[ . 1 . 2]" 1
782 1 34 ASP HA 1 34 ASP HB2 2.390 . 3.104 2.585 2.181 3.010 . 0 0 "[ . 1 . 2]" 1
783 1 34 ASP HA 1 34 ASP HB3 2.193 . 2.794 2.700 2.418 3.014 0.220 8 0 "[ . 1 . 2]" 1
784 1 34 ASP HA 1 35 TYR H 3.108 . 4.316 3.506 3.475 3.536 . 0 0 "[ . 1 . 2]" 1
785 1 34 ASP HA 1 35 TYR QD 3.129 . 4.353 3.702 2.604 4.354 0.001 18 0 "[ . 1 . 2]" 1
786 1 34 ASP HA 1 37 ALA MB 2.100 . 2.651 2.501 2.229 2.891 0.240 10 0 "[ . 1 . 2]" 1
787 1 34 ASP HB2 1 35 TYR H 2.650 . 3.528 3.055 2.456 3.750 0.222 7 0 "[ . 1 . 2]" 1
788 1 35 TYR H 1 35 TYR HB2 2.460 . 3.217 2.678 2.579 2.764 . 0 0 "[ . 1 . 2]" 1
789 1 35 TYR H 1 35 TYR HB3 2.451 . 3.202 2.447 2.381 2.534 . 0 0 "[ . 1 . 2]" 1
790 1 35 TYR H 1 36 LEU H 2.700 . 3.612 2.547 2.377 2.682 . 0 0 "[ . 1 . 2]" 1
791 1 35 TYR H 1 36 LEU H 2.463 . 3.221 2.327 2.222 2.416 . 0 0 "[ . 1 . 2]" 1
792 1 35 TYR HA 1 35 TYR HB2 2.483 . 3.253 2.424 2.405 2.456 . 0 0 "[ . 1 . 2]" 1
793 1 35 TYR HA 1 35 TYR HB3 3.000 . 4.125 3.033 3.021 3.045 . 0 0 "[ . 1 . 2]" 1
794 1 35 TYR HA 1 35 TYR QD 2.371 . 3.074 2.763 2.671 2.967 . 0 0 "[ . 1 . 2]" 1
795 1 35 TYR HA 1 38 ASP HB2 3.228 . 4.531 3.868 2.652 4.395 . 0 0 "[ . 1 . 2]" 1
796 1 35 TYR HA 1 38 ASP HB3 2.859 . 3.881 3.171 2.884 3.896 0.015 11 0 "[ . 1 . 2]" 1
797 1 35 TYR HA 1 39 ARG H 3.366 . 4.782 3.974 3.870 4.047 . 0 0 "[ . 1 . 2]" 1
798 1 35 TYR HB2 1 35 TYR QD 2.447 . 3.195 2.459 2.389 2.510 . 0 0 "[ . 1 . 2]" 1
799 1 35 TYR HB2 1 35 TYR QE 3.460 . 4.957 4.440 4.418 4.456 . 0 0 "[ . 1 . 2]" 1
800 1 35 TYR HB3 1 35 TYR QD 2.466 . 3.226 2.132 2.094 2.163 . 0 0 "[ . 1 . 2]" 1
801 1 35 TYR HB3 1 35 TYR QE 3.318 . 4.694 4.425 4.408 4.446 . 0 0 "[ . 1 . 2]" 1
802 1 35 TYR HB3 1 36 LEU H 2.717 . 3.639 2.532 2.441 2.670 . 0 0 "[ . 1 . 2]" 1
803 1 35 TYR HB3 1 36 LEU HG 3.335 . 4.726 3.297 3.182 3.479 . 0 0 "[ . 1 . 2]" 1
804 1 35 TYR HB3 1 39 ARG H 3.425 . 4.891 4.615 4.441 4.681 . 0 0 "[ . 1 . 2]" 1
805 1 35 TYR QD 1 36 LEU H 2.997 . 4.120 3.333 3.167 3.523 . 0 0 "[ . 1 . 2]" 1
806 1 35 TYR QD 1 36 LEU HA 3.096 . 4.294 3.162 2.946 3.285 . 0 0 "[ . 1 . 2]" 1
807 1 35 TYR QD 1 36 LEU HB2 3.708 . 5.426 4.834 4.699 4.921 . 0 0 "[ . 1 . 2]" 1
808 1 35 TYR QD 1 36 LEU HB3 3.444 . 4.926 4.950 4.866 5.017 0.091 16 0 "[ . 1 . 2]" 1
809 1 35 TYR QD 1 36 LEU MD2 2.368 . 3.069 2.302 2.135 2.511 . 0 0 "[ . 1 . 2]" 1
810 1 35 TYR QD 1 36 LEU HG 2.834 . 3.838 3.097 2.957 3.255 . 0 0 "[ . 1 . 2]" 1
811 1 35 TYR QD 1 38 ASP HB3 2.906 . 3.961 2.980 2.850 3.247 . 0 0 "[ . 1 . 2]" 1
812 1 35 TYR QD 1 39 ARG QG 3.350 . 4.753 4.577 4.493 4.663 . 0 0 "[ . 1 . 2]" 1
813 1 35 TYR QE 1 36 LEU MD2 2.603 . 3.450 3.252 3.121 3.360 . 0 0 "[ . 1 . 2]" 1
814 1 35 TYR QE 1 36 LEU HG 3.613 . 5.245 5.153 5.004 5.308 0.063 19 0 "[ . 1 . 2]" 1
815 1 35 TYR QE 1 39 ARG HA 3.310 . 4.680 4.752 4.462 4.926 0.246 16 0 "[ . 1 . 2]" 1
816 1 35 TYR QE 1 39 ARG HB2 2.918 . 3.982 3.245 2.959 3.458 . 0 0 "[ . 1 . 2]" 1
817 1 35 TYR QE 1 39 ARG HD2 2.478 . 3.246 1.829 1.791 1.952 . 0 0 "[ . 1 . 2]" 1
818 1 35 TYR QE 1 39 ARG HD3 2.561 . 3.381 3.491 3.427 3.551 0.170 11 0 "[ . 1 . 2]" 1
819 1 35 TYR QE 1 39 ARG QG 2.528 . 3.327 3.429 3.323 3.500 0.173 10 0 "[ . 1 . 2]" 1
820 1 36 LEU H 1 36 LEU HA 2.622 . 3.481 2.800 2.782 2.832 . 0 0 "[ . 1 . 2]" 1
821 1 36 LEU H 1 36 LEU HB2 2.310 . 2.977 2.100 2.071 2.178 . 0 0 "[ . 1 . 2]" 1
822 1 36 LEU H 1 36 LEU HB3 2.740 . 3.679 3.552 3.529 3.570 . 0 0 "[ . 1 . 2]" 1
823 1 36 LEU H 1 37 ALA MB 3.335 . 4.725 3.967 3.884 4.022 . 0 0 "[ . 1 . 2]" 1
824 1 36 LEU HA 1 36 LEU HB2 2.355 . 3.048 3.012 2.998 3.018 . 0 0 "[ . 1 . 2]" 1
825 1 36 LEU HA 1 36 LEU HB3 2.236 . 2.861 2.507 2.479 2.554 . 0 0 "[ . 1 . 2]" 1
826 1 36 LEU HA 1 36 LEU MD1 3.096 . 4.295 3.826 3.793 3.844 . 0 0 "[ . 1 . 2]" 1
827 1 36 LEU HA 1 36 LEU MD2 1.828 . 2.246 1.977 1.929 2.028 . 0 0 "[ . 1 . 2]" 1
828 1 36 LEU HA 1 36 LEU HG 2.363 . 3.061 3.062 2.988 3.118 0.057 19 0 "[ . 1 . 2]" 1
829 1 36 LEU HA 1 39 ARG H 3.077 . 4.261 3.164 3.030 3.267 . 0 0 "[ . 1 . 2]" 1
830 1 36 LEU HA 1 39 ARG HB2 2.448 . 3.197 2.563 2.268 2.757 . 0 0 "[ . 1 . 2]" 1
831 1 36 LEU HA 1 39 ARG HB3 3.031 . 4.179 2.029 1.968 2.147 . 0 0 "[ . 1 . 2]" 1
832 1 36 LEU HA 1 39 ARG HD2 2.547 . 3.358 3.335 3.190 3.404 0.046 11 0 "[ . 1 . 2]" 1
833 1 36 LEU HA 1 39 ARG HG2 2.969 . 4.071 4.178 4.103 4.249 0.178 17 0 "[ . 1 . 2]" 1
834 1 36 LEU HA 1 39 ARG QG 2.996 . 4.118 3.853 3.784 3.913 . 0 0 "[ . 1 . 2]" 1
835 1 36 LEU HA 1 40 GLU H 3.407 . 4.858 3.803 3.660 4.028 . 0 0 "[ . 1 . 2]" 1
836 1 36 LEU HB2 1 36 LEU MD1 2.146 . 2.722 2.340 2.298 2.379 . 0 0 "[ . 1 . 2]" 1
837 1 36 LEU HB2 1 36 LEU MD1 1.934 . 2.402 1.973 1.959 1.983 . 0 0 "[ . 1 . 2]" 1
838 1 36 LEU HB2 1 37 ALA H 2.638 . 3.508 2.779 2.580 2.910 . 0 0 "[ . 1 . 2]" 1
839 1 36 LEU HB3 1 36 LEU MD1 2.068 . 2.603 2.360 2.333 2.404 . 0 0 "[ . 1 . 2]" 1
840 1 36 LEU HB3 1 36 LEU QD 2.164 . 2.749 2.105 2.097 2.117 . 0 0 "[ . 1 . 2]" 1
841 1 36 LEU HB3 1 36 LEU MD2 2.073 . 2.610 2.367 2.330 2.408 . 0 0 "[ . 1 . 2]" 1
842 1 36 LEU HB3 1 36 LEU HG 2.538 . 3.343 3.015 3.007 3.025 . 0 0 "[ . 1 . 2]" 1
843 1 36 LEU QD 1 36 LEU HG 1.999 . 2.499 1.892 1.889 1.895 . 0 0 "[ . 1 . 2]" 1
844 1 36 LEU MD2 1 36 LEU HG 1.887 . 2.332 2.122 2.114 2.126 . 0 0 "[ . 1 . 2]" 1
845 1 36 LEU MD2 1 39 ARG HD2 3.049 . 4.211 2.575 2.424 2.714 . 0 0 "[ . 1 . 2]" 1
846 1 37 ALA H 1 37 ALA HA 2.456 . 3.210 2.839 2.815 2.866 . 0 0 "[ . 1 . 2]" 1
847 1 37 ALA H 1 37 ALA MB 2.112 . 2.669 2.238 2.214 2.259 . 0 0 "[ . 1 . 2]" 1
848 1 37 ALA H 1 38 ASP H 2.540 . 3.346 2.627 2.485 2.729 . 0 0 "[ . 1 . 2]" 1
849 1 37 ALA HA 1 37 ALA MB 1.809 . 2.218 2.133 2.129 2.137 . 0 0 "[ . 1 . 2]" 1
850 1 37 ALA HA 1 40 GLU QB 2.179 . 2.773 2.831 2.789 2.885 0.112 1 0 "[ . 1 . 2]" 1
851 1 37 ALA HA 1 40 GLU QB 1.734 . 2.110 1.758 1.673 1.820 . 0 0 "[ . 1 . 2]" 1
852 1 37 ALA HA 1 40 GLU HG2 2.893 . 3.939 3.003 2.326 3.510 . 0 0 "[ . 1 . 2]" 1
853 1 37 ALA HA 1 40 GLU HG3 2.875 . 3.908 3.075 2.631 3.779 . 0 0 "[ . 1 . 2]" 1
854 1 37 ALA HA 1 41 ARG QG 3.522 . 5.073 4.696 4.413 4.925 . 0 0 "[ . 1 . 2]" 1
855 1 37 ALA MB 1 38 ASP H 2.396 . 3.113 2.534 2.318 2.782 . 0 0 "[ . 1 . 2]" 1
856 1 37 ALA MB 1 38 ASP HA 2.883 . 3.922 3.922 3.846 3.998 0.076 5 0 "[ . 1 . 2]" 1
857 1 37 ALA MB 1 38 ASP HB2 3.506 . 5.042 3.947 3.794 4.045 . 0 0 "[ . 1 . 2]" 1
858 1 37 ALA MB 1 38 ASP HB3 3.511 . 5.052 4.698 4.510 5.162 0.110 11 0 "[ . 1 . 2]" 1
859 1 37 ALA MB 1 40 GLU H 2.701 . 3.613 3.610 3.554 3.681 0.068 5 0 "[ . 1 . 2]" 1
860 1 37 ALA MB 1 40 GLU QB 3.166 . 4.419 4.018 3.885 4.282 . 0 0 "[ . 1 . 2]" 1
861 1 37 ALA MB 1 40 GLU HG3 3.336 . 4.727 4.429 4.006 4.765 0.038 11 0 "[ . 1 . 2]" 1
862 1 38 ASP H 1 38 ASP HB2 2.609 . 3.460 2.505 2.115 2.635 . 0 0 "[ . 1 . 2]" 1
863 1 38 ASP H 1 39 ARG H 2.696 . 3.605 2.389 2.154 2.557 . 0 0 "[ . 1 . 2]" 1
864 1 38 ASP HA 1 38 ASP HB3 2.336 . 3.018 3.010 2.738 3.037 0.019 20 0 "[ . 1 . 2]" 1
865 1 38 ASP HA 1 39 ARG H 3.211 . 4.500 3.483 3.425 3.515 . 0 0 "[ . 1 . 2]" 1
866 1 38 ASP HA 1 41 ARG QB 2.204 . 2.811 2.819 2.589 2.969 0.158 5 0 "[ . 1 . 2]" 1
867 1 38 ASP HA 1 41 ARG QD 2.701 . 3.613 3.610 3.265 3.787 0.174 20 0 "[ . 1 . 2]" 1
868 1 38 ASP HA 1 41 ARG QG 3.126 . 4.042 2.360 1.914 2.907 0.036 2 0 "[ . 1 . 2]" 1
869 1 38 ASP HB2 1 39 ARG H 3.021 . 4.162 3.809 3.076 4.022 . 0 0 "[ . 1 . 2]" 1
870 1 38 ASP HB3 1 39 ARG H 2.721 . 3.646 2.785 2.630 3.355 . 0 0 "[ . 1 . 2]" 1
871 1 39 ARG H 1 39 ARG HA 2.626 . 3.488 2.802 2.780 2.835 . 0 0 "[ . 1 . 2]" 1
872 1 39 ARG H 1 39 ARG HB2 2.455 . 3.208 2.431 2.358 2.566 . 0 0 "[ . 1 . 2]" 1
873 1 39 ARG H 1 39 ARG QB 2.762 . 3.716 2.223 2.196 2.252 . 0 0 "[ . 1 . 2]" 1
874 1 39 ARG H 1 39 ARG QG 2.988 . 4.104 3.942 3.925 3.967 . 0 0 "[ . 1 . 2]" 1
875 1 39 ARG H 1 40 GLU HG2 3.586 . 5.194 4.574 4.211 5.282 0.088 3 0 "[ . 1 . 2]" 1
876 1 39 ARG HA 1 39 ARG HB2 2.186 . 2.783 2.491 2.415 2.525 . 0 0 "[ . 1 . 2]" 1
877 1 39 ARG HA 1 39 ARG HB3 2.313 . 2.982 3.015 3.005 3.020 0.038 8 0 "[ . 1 . 2]" 1
878 1 39 ARG HA 1 39 ARG QG 2.220 . 2.836 2.393 2.270 2.520 . 0 0 "[ . 1 . 2]" 1
879 1 39 ARG HA 1 42 GLU QB 2.134 . 2.703 2.355 2.109 2.721 0.018 3 0 "[ . 1 . 2]" 1
880 1 39 ARG HA 1 42 GLU QG 2.869 . 3.708 2.385 1.940 3.219 . 0 0 "[ . 1 . 2]" 1
881 1 39 ARG HB2 1 39 ARG HD3 2.661 . 3.546 3.082 2.925 3.195 . 0 0 "[ . 1 . 2]" 1
882 1 39 ARG HB3 1 39 ARG HD3 2.382 . 3.091 2.570 2.422 2.728 . 0 0 "[ . 1 . 2]" 1
883 1 39 ARG HD2 1 39 ARG QG 2.151 . 2.729 2.356 2.296 2.390 . 0 0 "[ . 1 . 2]" 1
884 1 39 ARG HD3 1 39 ARG HG2 2.323 . 2.998 2.407 2.367 2.483 . 0 0 "[ . 1 . 2]" 1
885 1 39 ARG HD3 1 39 ARG QG 2.169 . 2.757 2.316 2.285 2.372 . 0 0 "[ . 1 . 2]" 1
886 1 39 ARG HE 1 39 ARG QG 3.195 . 4.471 2.564 2.325 2.916 . 0 0 "[ . 1 . 2]" 1
887 1 39 ARG QG 1 40 GLU H 3.157 . 4.403 3.724 3.394 3.922 . 0 0 "[ . 1 . 2]" 1
888 1 39 ARG HG2 1 40 GLU HA 2.911 . 3.971 3.324 3.203 3.406 . 0 0 "[ . 1 . 2]" 1
889 1 40 GLU H 1 40 GLU HA 2.811 . 3.799 2.679 2.656 2.708 . 0 0 "[ . 1 . 2]" 1
890 1 40 GLU H 1 40 GLU HG2 2.900 . 3.951 2.462 2.117 3.728 . 0 0 "[ . 1 . 2]" 1
891 1 40 GLU H 1 40 GLU HG3 3.019 . 4.159 3.590 3.047 3.775 . 0 0 "[ . 1 . 2]" 1
892 1 40 GLU HA 1 40 GLU QB 1.724 . 2.096 2.118 1.996 2.161 0.065 13 0 "[ . 1 . 2]" 1
893 1 40 GLU HA 1 40 GLU HG3 2.196 . 2.799 2.430 2.254 2.822 0.023 11 0 "[ . 1 . 2]" 1
894 1 40 GLU QB 1 41 ARG QG 2.628 . 3.492 2.808 2.410 3.095 . 0 0 "[ . 1 . 2]" 1
895 1 41 ARG H 1 41 ARG QB 2.181 . 2.775 2.442 2.326 2.578 . 0 0 "[ . 1 . 2]" 1
896 1 41 ARG H 1 41 ARG QD 3.386 . 4.819 4.172 3.877 4.356 . 0 0 "[ . 1 . 2]" 1
897 1 41 ARG H 1 42 GLU H 2.487 . 3.260 2.414 2.231 2.605 . 0 0 "[ . 1 . 2]" 1
898 1 41 ARG HA 1 41 ARG QB 1.874 . 2.313 1.875 1.810 1.936 . 0 0 "[ . 1 . 2]" 1
899 1 41 ARG HA 1 41 ARG QB 1.877 . 2.317 1.998 1.940 2.102 . 0 0 "[ . 1 . 2]" 1
900 1 41 ARG HA 1 41 ARG HB3 1.953 . 2.430 1.814 1.739 1.874 . 0 0 "[ . 1 . 2]" 1
901 1 41 ARG HA 1 41 ARG QD 2.475 . 3.241 3.417 2.975 3.599 0.358 6 0 "[ . 1 . 2]" 1
902 1 41 ARG HA 1 41 ARG QG 2.493 . 3.270 2.419 2.213 3.033 . 0 0 "[ . 1 . 2]" 1
903 1 41 ARG HA 1 41 ARG QG 2.291 . 2.947 2.169 1.891 2.555 . 0 0 "[ . 1 . 2]" 1
904 1 41 ARG HA 1 41 ARG QG 2.266 . 2.908 2.181 1.863 2.673 . 0 0 "[ . 1 . 2]" 1
905 1 41 ARG HA 1 42 GLU H 2.564 . 3.386 3.490 3.421 3.530 0.144 10 0 "[ . 1 . 2]" 1
906 1 41 ARG QB 1 41 ARG HD3 2.043 . 2.565 2.161 2.083 2.353 . 0 0 "[ . 1 . 2]" 1
907 1 41 ARG QB 1 41 ARG QG 2.130 . 2.463 2.040 2.000 2.058 . 0 0 "[ . 1 . 2]" 1
908 1 41 ARG QB 1 42 GLU H 2.203 . 2.810 2.551 2.259 2.885 0.075 15 0 "[ . 1 . 2]" 1
909 1 41 ARG QB 1 42 GLU HA 3.278 . 4.621 3.756 3.637 3.844 . 0 0 "[ . 1 . 2]" 1
910 1 41 ARG QD 1 45 LEU MD1 2.977 . 4.085 3.452 3.162 3.757 . 0 0 "[ . 1 . 2]" 1
911 1 41 ARG QD 1 41 ARG QG 2.152 . 2.395 2.064 2.001 2.086 . 0 0 "[ . 1 . 2]" 1
912 1 41 ARG HD3 1 45 LEU QD 2.763 . 3.718 2.951 1.887 3.686 . 0 0 "[ . 1 . 2]" 1
913 1 41 ARG HD3 1 45 LEU QD 2.624 . 3.485 2.878 1.972 3.701 0.216 5 0 "[ . 1 . 2]" 1
914 1 41 ARG QG 1 42 GLU H 3.306 . 4.672 3.721 3.495 3.913 . 0 0 "[ . 1 . 2]" 1
915 1 41 ARG QG 1 45 LEU QD 3.241 . 4.554 4.006 3.801 4.257 . 0 0 "[ . 1 . 2]" 1
916 1 42 GLU H 1 42 GLU HA 2.564 . 3.386 2.775 2.743 2.828 . 0 0 "[ . 1 . 2]" 1
917 1 42 GLU H 1 42 GLU QB 2.515 . 3.306 2.458 2.344 2.539 . 0 0 "[ . 1 . 2]" 1
918 1 42 GLU H 1 42 GLU QG 2.463 . 3.221 2.205 2.076 2.442 . 0 0 "[ . 1 . 2]" 1
919 1 42 GLU H 1 43 GLU H 2.625 . 3.486 2.775 2.577 2.924 . 0 0 "[ . 1 . 2]" 1
920 1 42 GLU HA 1 42 GLU QG 2.376 . 3.082 2.469 2.274 2.925 . 0 0 "[ . 1 . 2]" 1
921 1 42 GLU HA 1 45 LEU HB2 2.368 . 3.069 2.088 1.785 2.430 . 0 0 "[ . 1 . 2]" 1
922 1 42 GLU HA 1 45 LEU HB3 3.033 . 4.183 3.689 3.279 4.097 . 0 0 "[ . 1 . 2]" 1
923 1 42 GLU HA 1 45 LEU QD 2.479 . 3.247 2.312 1.926 2.914 . 0 0 "[ . 1 . 2]" 1
924 1 42 GLU HA 1 45 LEU HG 2.878 . 3.913 2.983 2.306 3.804 . 0 0 "[ . 1 . 2]" 1
925 1 42 GLU QB 1 46 LEU QB 3.009 . 4.141 3.453 3.204 3.696 . 0 0 "[ . 1 . 2]" 1
926 1 42 GLU QB 1 46 LEU QD 2.463 . 3.221 2.629 1.939 2.918 . 0 0 "[ . 1 . 2]" 1
927 1 42 GLU QB 1 42 GLU QG 2.161 . 2.745 2.058 1.992 2.084 . 0 0 "[ . 1 . 2]" 1
928 1 42 GLU QB 1 45 LEU MD1 2.552 . 3.366 2.667 1.942 3.048 . 0 0 "[ . 1 . 2]" 1
929 1 42 GLU QB 1 45 LEU HB2 2.828 . 3.828 3.339 2.990 3.609 . 0 0 "[ . 1 . 2]" 1
930 1 42 GLU QB 1 46 LEU QD 2.405 . 3.128 2.754 1.948 3.038 . 0 0 "[ . 1 . 2]" 1
931 1 42 GLU QG 1 45 LEU QD 2.488 . 3.261 2.332 1.962 3.050 . 0 0 "[ . 1 . 2]" 1
932 1 42 GLU QG 1 45 LEU QD 3.057 . 4.225 2.697 2.030 3.316 . 0 0 "[ . 1 . 2]" 1
933 1 42 GLU QG 1 45 LEU MD1 2.939 . 4.019 2.534 1.985 4.163 0.144 10 0 "[ . 1 . 2]" 1
934 1 42 GLU QG 1 45 LEU HB2 2.936 . 4.013 3.117 2.405 3.854 . 0 0 "[ . 1 . 2]" 1
935 1 42 GLU QG 1 45 LEU QD 3.357 . 4.766 3.002 2.047 4.041 . 0 0 "[ . 1 . 2]" 1
936 1 43 GLU H 1 43 GLU HG2 2.689 . 3.593 2.911 1.915 3.500 . 0 0 "[ . 1 . 2]" 1
937 1 43 GLU H 1 44 GLU H 2.690 . 3.595 2.767 2.525 2.918 . 0 0 "[ . 1 . 2]" 1
938 1 43 GLU HA 1 43 GLU QB 1.779 . 2.175 1.958 1.870 2.058 . 0 0 "[ . 1 . 2]" 1
939 1 43 GLU HA 1 43 GLU HG2 2.138 . 2.709 2.402 2.097 2.802 0.093 14 0 "[ . 1 . 2]" 1
940 1 43 GLU HA 1 43 GLU HG2 2.176 . 2.768 2.449 2.172 2.898 0.130 14 0 "[ . 1 . 2]" 1
941 1 43 GLU HA 1 45 LEU H 2.393 . 3.109 3.236 3.189 3.301 0.192 2 0 "[ . 1 . 2]" 1
942 1 43 GLU HA 1 46 LEU QB 2.340 . 3.024 2.692 2.059 2.979 . 0 0 "[ . 1 . 2]" 1
943 1 43 GLU HA 1 46 LEU QB 2.889 . 3.932 2.799 2.243 3.468 . 0 0 "[ . 1 . 2]" 1
944 1 43 GLU HA 1 46 LEU QD 2.402 . 3.123 2.544 2.152 3.017 . 0 0 "[ . 1 . 2]" 1
945 1 43 GLU HG3 1 44 GLU H 2.768 . 3.726 2.444 1.892 4.156 0.430 3 0 "[ . 1 . 2]" 1
946 1 43 GLU HG3 1 46 LEU QD 3.134 . 4.362 3.358 2.306 3.733 . 0 0 "[ . 1 . 2]" 1
947 1 44 GLU HG2 1 45 LEU QD 2.846 . 3.859 3.452 2.314 3.877 0.018 3 0 "[ . 1 . 2]" 1
948 1 44 GLU HG3 1 45 LEU QD 2.603 . 3.450 2.678 1.982 3.856 0.406 2 0 "[ . 1 . 2]" 1
949 1 45 LEU H 1 45 LEU HB2 2.216 . 2.830 2.181 2.017 2.248 . 0 0 "[ . 1 . 2]" 1
950 1 45 LEU H 1 45 LEU QD 3.023 . 4.166 3.104 2.653 3.245 . 0 0 "[ . 1 . 2]" 1
951 1 45 LEU HA 1 45 LEU HB2 2.179 . 2.773 2.149 2.004 2.310 . 0 0 "[ . 1 . 2]" 1
952 1 45 LEU HA 1 45 LEU HB3 1.983 . 2.475 2.046 1.940 2.118 . 0 0 "[ . 1 . 2]" 1
953 1 45 LEU HA 1 45 LEU QD 1.760 . 2.147 1.840 1.769 2.034 . 0 0 "[ . 1 . 2]" 1
954 1 45 LEU HA 1 46 LEU H 2.282 . 2.933 2.685 2.231 2.767 . 0 0 "[ . 1 . 2]" 1
955 1 45 LEU HB2 1 45 LEU QD 1.674 . 2.024 1.560 1.550 1.565 . 0 0 "[ . 1 . 2]" 1
956 1 45 LEU HB2 1 45 LEU QD 2.008 . 2.512 1.755 1.722 1.786 . 0 0 "[ . 1 . 2]" 1
957 1 45 LEU HB2 1 46 LEU H 2.179 . 2.772 2.081 1.740 2.197 . 0 0 "[ . 1 . 2]" 1
958 1 45 LEU HB3 1 45 LEU QD 1.760 . 2.147 1.641 1.626 1.685 . 0 0 "[ . 1 . 2]" 1
959 1 45 LEU HB3 1 45 LEU QD 1.898 . 2.348 1.720 1.698 1.761 . 0 0 "[ . 1 . 2]" 1
960 1 45 LEU HB3 1 45 LEU QD 1.845 . 2.270 1.789 1.723 1.872 . 0 0 "[ . 1 . 2]" 1
961 1 45 LEU QD 1 45 LEU HG 1.853 . 2.282 1.687 1.686 1.688 . 0 0 "[ . 1 . 2]" 1
962 1 45 LEU QD 1 45 LEU HG 1.808 . 2.217 1.654 1.633 1.681 . 0 0 "[ . 1 . 2]" 1
963 1 46 LEU H 1 46 LEU QD 2.919 . 3.984 3.113 2.561 3.695 . 0 0 "[ . 1 . 2]" 1
964 1 46 LEU H 1 47 GLU H 2.748 . 3.692 2.593 2.009 3.687 . 0 0 "[ . 1 . 2]" 1
965 1 46 LEU HA 1 46 LEU QD 1.880 . 2.322 2.005 1.757 3.184 0.862 18 1 "[ . 1 . + 2]" 1
966 1 46 LEU QB 1 47 GLU HG2 3.012 . 4.146 3.421 2.440 4.351 0.205 13 0 "[ . 1 . 2]" 1
967 1 46 LEU QB 1 47 GLU QG 3.078 . 4.263 2.838 2.415 3.518 . 0 0 "[ . 1 . 2]" 1
968 1 46 LEU QD 1 47 GLU H 3.249 . 4.569 3.558 2.619 4.253 . 0 0 "[ . 1 . 2]" 1
969 1 47 GLU H 1 47 GLU QB 2.475 . 3.241 2.790 2.392 3.294 0.053 20 0 "[ . 1 . 2]" 1
970 1 47 GLU H 1 47 GLU HG2 2.900 . 3.951 2.959 1.805 4.301 0.350 4 0 "[ . 1 . 2]" 1
971 1 47 GLU HA 1 47 GLU QB 1.866 . 2.301 2.038 1.916 2.127 . 0 0 "[ . 1 . 2]" 1
972 1 47 GLU HA 1 47 GLU QG 1.987 . 2.480 2.332 2.030 2.625 0.145 17 0 "[ . 1 . 2]" 1
973 1 47 GLU HA 1 47 GLU HG2 2.135 . 2.705 2.123 1.948 2.288 . 0 0 "[ . 1 . 2]" 1
974 1 47 GLU HA 1 47 GLU HG2 2.046 . 2.569 2.160 1.971 2.310 . 0 0 "[ . 1 . 2]" 1
975 1 47 GLU HA 1 47 GLU HG3 2.216 . 2.830 2.307 2.103 2.439 . 0 0 "[ . 1 . 2]" 1
976 1 47 GLU HA 1 54 ILE HB 3.428 . 4.897 4.390 3.909 4.950 0.053 6 0 "[ . 1 . 2]" 1
977 1 47 GLU QB 1 47 GLU HG2 1.818 . 2.231 1.838 1.773 1.877 . 0 0 "[ . 1 . 2]" 1
978 1 47 GLU QB 1 48 ARG HA 2.794 . 3.770 3.668 2.522 4.231 0.461 15 0 "[ . 1 . 2]" 1
979 1 47 GLU QB 1 54 ILE MG 3.152 . 4.394 2.820 1.833 4.496 0.102 12 0 "[ . 1 . 2]" 1
980 1 47 GLU QG 1 48 ARG HA 2.754 . 3.702 3.511 2.191 3.802 0.100 3 0 "[ . 1 . 2]" 1
981 1 48 ARG H 1 48 ARG HB2 2.583 . 3.417 2.333 2.106 2.924 . 0 0 "[ . 1 . 2]" 1
982 1 48 ARG H 1 49 ASP H 3.520 . 5.069 3.584 2.244 4.485 . 0 0 "[ . 1 . 2]" 1
983 1 48 ARG HA 1 48 ARG HB3 1.750 . 2.133 1.990 1.929 2.096 . 0 0 "[ . 1 . 2]" 1
984 1 48 ARG HA 1 48 ARG QG 1.859 . 2.291 2.045 1.914 2.447 0.156 20 0 "[ . 1 . 2]" 1
985 1 48 ARG HA 1 49 ASP H 2.411 . 3.138 2.196 1.883 3.022 . 0 0 "[ . 1 . 2]" 1
986 1 48 ARG HA 1 49 ASP QB 3.189 . 4.460 4.225 3.687 4.478 0.018 15 0 "[ . 1 . 2]" 1
987 1 48 ARG HB3 1 48 ARG HD3 1.905 . 2.359 2.021 1.844 2.342 . 0 0 "[ . 1 . 2]" 1
988 1 48 ARG HB3 1 48 ARG QG 1.526 . 1.817 1.841 1.763 1.925 0.108 14 0 "[ . 1 . 2]" 1
989 1 48 ARG HB3 1 49 ASP H 3.073 . 4.254 2.618 1.915 3.269 . 0 0 "[ . 1 . 2]" 1
990 1 48 ARG HB3 1 54 ILE MD 3.403 . 4.850 4.269 2.171 5.528 0.678 16 1 "[ . 1 .+ 2]" 1
991 1 48 ARG HD2 1 48 ARG HG2 1.639 . 1.975 1.635 1.597 1.662 . 0 0 "[ . 1 . 2]" 1
992 1 48 ARG HD3 1 54 ILE MD 3.596 . 5.212 4.555 3.853 4.917 . 0 0 "[ . 1 . 2]" 1
993 1 49 ASP H 1 49 ASP QB 2.784 . 3.753 2.195 1.729 2.500 0.086 12 0 "[ . 1 . 2]" 1
994 1 49 ASP HA 1 49 ASP QB 2.614 . 3.468 2.307 2.160 2.448 . 0 0 "[ . 1 . 2]" 1
995 1 49 ASP HA 1 49 ASP QB 2.743 . 3.683 2.145 2.017 2.348 . 0 0 "[ . 1 . 2]" 1
996 1 49 ASP HA 1 54 ILE MG 3.333 . 4.722 3.828 2.916 4.659 . 0 0 "[ . 1 . 2]" 1
997 1 49 ASP HA 1 55 PHE HB3 2.319 . 2.991 2.985 2.690 3.093 0.102 8 0 "[ . 1 . 2]" 1
998 1 49 ASP HA 1 55 PHE QE 3.384 . 4.815 4.283 3.549 4.839 0.024 16 0 "[ . 1 . 2]" 1
999 1 49 ASP QB 1 54 ILE MD 3.681 . 5.374 4.605 4.150 4.982 . 0 0 "[ . 1 . 2]" 1
1000 1 50 GLU H 1 50 GLU HB2 2.270 . 2.914 2.406 2.067 2.927 0.013 2 0 "[ . 1 . 2]" 1
1001 1 51 GLU HA 1 51 GLU HG3 2.740 . 3.679 3.193 2.417 4.249 0.570 4 1 "[ +. 1 . 2]" 1
1002 1 51 GLU HB2 1 54 ILE MD 3.118 . 4.333 2.522 1.831 3.312 0.072 12 0 "[ . 1 . 2]" 1
1003 1 51 GLU HG2 1 54 ILE MD 3.163 . 4.413 3.344 2.267 3.908 . 0 0 "[ . 1 . 2]" 1
1004 1 52 GLU HA 1 53 ALA H 2.421 . 3.154 2.271 1.830 2.692 . 0 0 "[ . 1 . 2]" 1
1005 1 52 GLU HA 1 54 ILE MD 3.087 . 4.278 3.320 3.110 3.674 . 0 0 "[ . 1 . 2]" 1
1006 1 52 GLU HA 1 54 ILE HG13 3.460 . 4.957 4.908 4.666 5.018 0.061 3 0 "[ . 1 . 2]" 1
1007 1 52 GLU HA 1 59 PHE HB3 3.313 . 4.685 3.127 2.221 3.740 . 0 0 "[ . 1 . 2]" 1
1008 1 52 GLU QB 1 53 ALA HA 3.282 . 4.628 4.108 3.687 4.693 0.065 17 0 "[ . 1 . 2]" 1
1009 1 52 GLU HB2 1 53 ALA H 3.215 . 4.507 3.761 3.335 4.591 0.084 15 0 "[ . 1 . 2]" 1
1010 1 52 GLU HB3 1 53 ALA MB 3.345 . 4.743 3.831 3.518 4.437 . 0 0 "[ . 1 . 2]" 1
1011 1 52 GLU QG 1 53 ALA H 3.359 . 4.770 2.776 1.873 4.064 0.075 10 0 "[ . 1 . 2]" 1
1012 1 52 GLU QG 1 53 ALA HA 3.232 . 4.538 3.978 3.275 4.597 0.059 17 0 "[ . 1 . 2]" 1
1013 1 52 GLU QG 1 53 ALA MB 3.161 . 4.410 2.948 2.390 4.301 . 0 0 "[ . 1 . 2]" 1
1014 1 53 ALA H 1 53 ALA MB 2.586 . 3.422 2.187 2.004 2.540 . 0 0 "[ . 1 . 2]" 1
1015 1 53 ALA H 1 54 ILE H 3.359 . 4.769 3.256 2.431 4.352 . 0 0 "[ . 1 . 2]" 1
1016 1 53 ALA HA 1 53 ALA MB 1.899 . 2.350 2.125 2.118 2.136 . 0 0 "[ . 1 . 2]" 1
1017 1 53 ALA HA 1 53 ALA MB 1.978 . 2.467 1.895 1.891 1.900 . 0 0 "[ . 1 . 2]" 1
1018 1 53 ALA HA 1 55 PHE QE 3.482 . 4.998 3.436 2.239 4.406 . 0 0 "[ . 1 . 2]" 1
1019 1 53 ALA MB 1 54 ILE H 2.771 . 3.731 3.381 1.854 3.584 . 0 0 "[ . 1 . 2]" 1
1020 1 53 ALA MB 1 54 ILE HA 2.498 . 3.278 3.356 3.100 3.413 0.135 16 0 "[ . 1 . 2]" 1
1021 1 53 ALA MB 1 55 PHE HD1 3.218 . 4.512 4.296 3.637 4.601 0.089 18 0 "[ . 1 . 2]" 1
1022 1 53 ALA MB 1 59 PHE HA 3.301 . 4.663 3.804 1.915 4.677 0.024 16 0 "[ . 1 . 2]" 1
1023 1 53 ALA MB 1 59 PHE HB2 3.363 . 4.777 3.774 2.437 4.819 0.042 17 0 "[ . 1 . 2]" 1
1024 1 53 ALA MB 1 59 PHE QD 2.976 . 4.083 2.493 1.911 4.132 0.049 16 0 "[ . 1 . 2]" 1
1025 1 54 ILE H 1 54 ILE MG 3.195 . 4.471 3.859 3.784 4.090 . 0 0 "[ . 1 . 2]" 1
1026 1 54 ILE H 1 55 PHE H 2.655 . 3.536 2.217 1.772 3.580 0.044 9 0 "[ . 1 . 2]" 1
1027 1 54 ILE HA 1 54 ILE HB 2.417 . 3.147 3.020 3.003 3.029 . 0 0 "[ . 1 . 2]" 1
1028 1 54 ILE HA 1 54 ILE MD 2.735 . 3.670 3.355 3.197 3.563 . 0 0 "[ . 1 . 2]" 1
1029 1 54 ILE HA 1 54 ILE HG13 2.509 . 3.296 2.392 2.307 2.590 . 0 0 "[ . 1 . 2]" 1
1030 1 54 ILE HA 1 54 ILE MG 2.168 . 2.756 2.389 2.212 2.466 . 0 0 "[ . 1 . 2]" 1
1031 1 54 ILE HA 1 55 PHE H 2.584 . 3.418 3.356 2.457 3.557 0.139 9 0 "[ . 1 . 2]" 1
1032 1 54 ILE HB 1 54 ILE MD 2.340 . 3.025 2.263 2.215 2.318 . 0 0 "[ . 1 . 2]" 1
1033 1 54 ILE HB 1 54 ILE MD 2.151 . 2.729 1.947 1.927 1.967 . 0 0 "[ . 1 . 2]" 1
1034 1 54 ILE HB 1 54 ILE HG12 2.542 . 3.350 2.658 2.598 2.776 . 0 0 "[ . 1 . 2]" 1
1035 1 54 ILE HB 1 54 ILE HG13 2.516 . 3.307 2.978 2.918 3.003 . 0 0 "[ . 1 . 2]" 1
1036 1 54 ILE HB 1 54 ILE MG 2.118 . 2.679 2.124 2.118 2.130 . 0 0 "[ . 1 . 2]" 1
1037 1 54 ILE HB 1 55 PHE HD1 3.498 . 5.027 3.366 2.928 3.804 . 0 0 "[ . 1 . 2]" 1
1038 1 54 ILE MD 1 54 ILE HG12 2.160 . 2.743 2.117 2.112 2.121 . 0 0 "[ . 1 . 2]" 1
1039 1 54 ILE MD 1 54 ILE HG13 2.203 . 2.810 2.117 2.111 2.121 . 0 0 "[ . 1 . 2]" 1
1040 1 54 ILE MD 1 55 PHE QE 3.071 . 4.250 4.299 4.220 4.370 0.120 9 0 "[ . 1 . 2]" 1
1041 1 54 ILE MD 1 59 PHE HB3 3.440 . 4.920 4.882 4.471 5.079 0.159 14 0 "[ . 1 . 2]" 1
1042 1 54 ILE HG12 1 54 ILE MG 2.529 . 3.328 2.157 2.093 2.190 . 0 0 "[ . 1 . 2]" 1
1043 1 54 ILE HG13 1 54 ILE MG 2.523 . 3.319 2.666 2.577 2.837 . 0 0 "[ . 1 . 2]" 1
1044 1 54 ILE MG 1 55 PHE H 3.302 . 4.665 3.622 3.113 3.877 . 0 0 "[ . 1 . 2]" 1
1045 1 54 ILE MG 1 55 PHE QR 3.175 . 4.435 4.374 3.841 4.533 0.098 7 0 "[ . 1 . 2]" 1
1046 1 55 PHE H 1 55 PHE HB3 3.110 . 4.319 2.824 2.507 3.594 . 0 0 "[ . 1 . 2]" 1
1047 1 55 PHE HA 1 55 PHE HB2 2.128 . 2.694 2.177 2.124 2.218 . 0 0 "[ . 1 . 2]" 1
1048 1 55 PHE HB2 1 55 PHE QE 3.699 . 5.409 3.516 2.200 4.373 . 0 0 "[ . 1 . 2]" 1
1049 1 55 PHE HB2 1 56 GLY H 3.478 . 4.990 3.832 2.482 4.459 . 0 0 "[ . 1 . 2]" 1
1050 1 55 PHE HB2 1 56 GLY QA 3.640 . 5.296 3.831 3.507 4.286 . 0 0 "[ . 1 . 2]" 1
1051 1 55 PHE HB3 1 55 PHE HD1 2.297 . 2.957 2.165 2.114 2.289 . 0 0 "[ . 1 . 2]" 1
1052 1 55 PHE HB3 1 55 PHE QE 3.226 . 4.527 3.682 2.598 4.411 . 0 0 "[ . 1 . 2]" 1
1053 1 55 PHE HB3 1 56 GLY H 3.503 . 5.036 4.277 3.766 4.645 . 0 0 "[ . 1 . 2]" 1
1054 1 55 PHE HB3 1 56 GLY HA2 3.921 . 5.843 4.522 4.064 4.754 . 0 0 "[ . 1 . 2]" 1
1055 1 55 PHE HB3 1 56 GLY HA2 3.831 . 5.665 4.741 4.159 5.096 . 0 0 "[ . 1 . 2]" 1
1056 1 55 PHE HD2 1 56 GLY QA 2.941 . 4.022 3.414 2.838 4.120 0.098 14 0 "[ . 1 . 2]" 1
1057 1 55 PHE HD2 1 56 GLY QA 3.280 . 4.625 3.093 2.712 3.916 . 0 0 "[ . 1 . 2]" 1
1058 1 55 PHE QE 1 56 GLY QA 3.493 . 5.018 4.571 3.781 5.259 0.241 1 0 "[ . 1 . 2]" 1
1059 1 55 PHE QE 1 61 LEU HB3 3.697 . 5.405 3.825 1.983 5.789 0.384 14 0 "[ . 1 . 2]" 1
1060 1 56 GLY H 1 56 GLY QA 2.588 . 3.425 2.339 2.186 2.499 . 0 0 "[ . 1 . 2]" 1
1061 1 56 GLY QA 1 57 ASP H 2.721 . 3.646 2.289 2.090 2.929 . 0 0 "[ . 1 . 2]" 1
1062 1 56 GLY HA2 1 57 ASP QB 3.174 . 4.433 3.598 3.258 3.901 . 0 0 "[ . 1 . 2]" 1
1063 1 57 ASP H 1 57 ASP QB 2.940 . 4.020 2.596 2.290 3.034 . 0 0 "[ . 1 . 2]" 1
1064 1 57 ASP HA 1 57 ASP HB3 2.382 . 3.091 2.741 2.455 3.029 . 0 0 "[ . 1 . 2]" 1
1065 1 58 GLY QA 1 59 PHE HB3 3.439 . 4.918 4.304 3.930 4.898 . 0 0 "[ . 1 . 2]" 1
1066 1 59 PHE H 1 59 PHE HB3 2.984 . 4.097 3.139 2.700 3.503 . 0 0 "[ . 1 . 2]" 1
1067 1 59 PHE HA 1 61 LEU QB 2.977 . 4.085 3.738 2.942 4.137 0.052 18 0 "[ . 1 . 2]" 1
1068 1 59 PHE HB2 1 60 GLY H 3.487 . 5.007 3.504 2.042 4.480 . 0 0 "[ . 1 . 2]" 1
1069 1 59 PHE HB2 1 63 ALA MB 3.228 . 4.531 3.657 2.421 4.572 0.041 17 0 "[ . 1 . 2]" 1
1070 1 59 PHE QD 1 63 ALA MB 3.371 . 4.791 3.745 1.944 4.845 0.054 4 0 "[ . 1 . 2]" 1
1071 1 60 GLY H 1 61 LEU H 3.011 . 4.144 2.468 1.799 3.675 0.079 9 0 "[ . 1 . 2]" 1
1072 1 60 GLY HA2 1 61 LEU H 2.939 . 4.018 3.054 2.523 3.511 . 0 0 "[ . 1 . 2]" 1
1073 1 60 GLY HA2 1 63 ALA MB 2.965 . 4.064 2.186 1.853 3.257 0.013 5 0 "[ . 1 . 2]" 1
1074 1 61 LEU H 1 61 LEU HB2 2.860 . 3.883 2.723 2.344 3.991 0.108 7 0 "[ . 1 . 2]" 1
1075 1 61 LEU H 1 61 LEU HB3 2.714 . 3.635 2.615 1.818 3.402 . 0 0 "[ . 1 . 2]" 1
1076 1 61 LEU HA 1 61 LEU MD1 2.154 . 2.734 2.470 1.841 3.454 0.720 20 4 "[ . * 1 .- * +]" 1
1077 1 61 LEU HB2 1 61 LEU QD 2.503 . 3.286 1.967 1.881 2.050 . 0 0 "[ . 1 . 2]" 1
1078 1 61 LEU MD2 1 61 LEU HG 3.077 . 4.260 2.127 2.123 2.130 . 0 0 "[ . 1 . 2]" 1
1079 1 62 LYS HA 1 62 LYS HB2 2.255 . 2.890 2.295 2.070 2.518 . 0 0 "[ . 1 . 2]" 1
1080 1 62 LYS HA 1 62 LYS HB3 2.206 . 2.814 2.137 2.039 2.518 . 0 0 "[ . 1 . 2]" 1
1081 1 62 LYS HA 1 62 LYS QD 2.726 . 3.655 2.009 1.804 2.760 . 0 0 "[ . 1 . 2]" 1
1082 1 62 LYS HA 1 62 LYS HE3 3.402 . 4.849 3.510 2.704 3.851 . 0 0 "[ . 1 . 2]" 1
1083 1 62 LYS HA 1 62 LYS HG2 2.610 . 3.461 2.447 2.140 3.095 . 0 0 "[ . 1 . 2]" 1
1084 1 62 LYS HA 1 62 LYS HG3 2.641 . 3.513 2.694 2.300 3.122 . 0 0 "[ . 1 . 2]" 1
1085 1 62 LYS QB 1 63 ALA HA 3.108 . 4.316 4.269 4.018 4.405 0.089 6 0 "[ . 1 . 2]" 1
1086 1 62 LYS QB 1 63 ALA HA 3.273 . 4.612 3.831 3.679 4.012 . 0 0 "[ . 1 . 2]" 1
1087 1 62 LYS HB2 1 62 LYS QG 2.265 . 2.906 2.067 1.988 2.135 . 0 0 "[ . 1 . 2]" 1
1088 1 62 LYS QD 1 63 ALA HA 3.058 . 4.227 3.692 3.120 4.259 0.032 9 0 "[ . 1 . 2]" 1
1089 1 62 LYS QE 1 62 LYS HG2 2.587 . 3.423 2.026 1.890 2.227 . 0 0 "[ . 1 . 2]" 1
1090 1 63 ALA HA 1 63 ALA MB 1.742 . 2.121 1.773 1.772 1.774 . 0 0 "[ . 1 . 2]" 1
1091 1 63 ALA HA 1 64 THR H 2.773 . 3.734 2.469 2.034 2.778 . 0 0 "[ . 1 . 2]" 1
1092 1 63 ALA MB 1 64 THR H 3.470 . 4.975 2.941 1.964 3.697 0.001 10 0 "[ . 1 . 2]" 1
1093 1 63 ALA MB 1 64 THR HA 3.202 . 4.484 4.136 3.811 4.533 0.049 4 0 "[ . 1 . 2]" 1
1094 1 64 THR HA 1 64 THR MG 1.937 . 2.406 1.959 1.919 1.986 . 0 0 "[ . 1 . 2]" 1
1095 1 64 THR HA 1 64 THR MG 2.083 . 2.625 2.284 2.180 2.363 . 0 0 "[ . 1 . 2]" 1
1096 1 64 THR HA 1 65 ARG H 2.953 . 4.043 2.190 1.968 2.780 . 0 0 "[ . 1 . 2]" 1
1097 1 64 THR HA 1 65 ARG HB2 3.471 . 4.977 4.844 4.348 5.832 0.855 18 3 "[ . * 1 . + -]" 1
1098 1 64 THR HA 1 65 ARG QG 3.190 . 4.462 4.056 3.429 4.530 0.068 9 0 "[ . 1 . 2]" 1
1099 1 64 THR HB 1 64 THR MG 1.982 . 2.473 2.134 2.130 2.138 . 0 0 "[ . 1 . 2]" 1
1100 1 64 THR HB 1 65 ARG HB2 3.526 . 5.080 4.250 2.957 5.477 0.397 18 0 "[ . 1 . 2]" 1
1101 1 64 THR HB 1 65 ARG HG3 3.169 . 4.425 3.631 2.187 4.916 0.491 2 0 "[ . 1 . 2]" 1
1102 1 64 THR MG 1 65 ARG QD 3.339 . 4.732 3.987 2.467 4.781 0.049 3 0 "[ . 1 . 2]" 1
1103 1 65 ARG HA 1 65 ARG QD 2.104 . 2.657 2.043 1.835 2.891 0.234 12 0 "[ . 1 . 2]" 1
1104 1 66 ARG HB3 1 67 SER HA 3.281 . 4.626 4.473 3.973 5.149 0.523 4 1 "[ +. 1 . 2]" 1
1105 1 67 SER HA 1 67 SER HB2 2.272 . 2.917 2.723 2.500 3.016 0.099 19 0 "[ . 1 . 2]" 1
1106 1 67 SER HA 1 67 SER QB 1.995 . 2.493 2.251 2.176 2.404 . 0 0 "[ . 1 . 2]" 1
1107 1 67 SER HA 1 67 SER HB3 2.219 . 2.835 2.441 2.333 3.015 0.180 2 0 "[ . 1 . 2]" 1
1108 1 67 SER HB2 1 70 ALA MB 3.437 . 4.914 2.737 1.864 4.383 0.096 5 0 "[ . 1 . 2]" 1
1109 1 68 ARG HB2 1 69 LYS H 3.166 . 4.419 2.716 1.773 3.503 0.140 14 0 "[ . 1 . 2]" 1
1110 1 69 LYS HA 1 70 ALA H 2.847 . 3.860 2.359 2.109 2.520 . 0 0 "[ . 1 . 2]" 1
1111 1 69 LYS HB2 1 70 ALA H 3.330 . 4.716 3.522 3.081 3.881 . 0 0 "[ . 1 . 2]" 1
1112 1 70 ALA H 1 70 ALA MB 3.117 . 4.331 2.107 2.014 2.206 . 0 0 "[ . 1 . 2]" 1
1113 1 71 GLU HA 1 72 ARG H 2.904 . 3.958 3.146 2.131 3.572 . 0 0 "[ . 1 . 2]" 1
1114 1 72 ARG QD 1 75 LEU QD 2.666 . 3.555 2.650 1.867 3.601 0.046 10 0 "[ . 1 . 2]" 1
1115 1 73 ALA HA 1 74 LYS H 2.825 . 3.823 2.702 2.087 2.813 . 0 0 "[ . 1 . 2]" 1
1116 1 74 LYS HA 1 74 LYS QD 2.522 . 3.317 2.180 1.934 3.112 . 0 0 "[ . 1 . 2]" 1
1117 1 74 LYS HA 1 75 LEU H 2.941 . 4.022 2.338 2.076 2.799 . 0 0 "[ . 1 . 2]" 1
1118 1 74 LYS QD 1 75 LEU H 3.351 . 4.755 3.863 2.282 4.613 . 0 0 "[ . 1 . 2]" 1
1119 1 75 LEU HA 1 75 LEU HB2 2.541 . 3.348 2.871 2.450 3.024 . 0 0 "[ . 1 . 2]" 1
1120 1 75 LEU HB2 1 75 LEU HG 2.633 . 3.500 2.667 2.410 3.022 . 0 0 "[ . 1 . 2]" 1
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