NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
539430 |
2lss   |
18442 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lss
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 785
_Distance_constraint_stats_list.Viol_count 1991
_Distance_constraint_stats_list.Viol_total 2494.163
_Distance_constraint_stats_list.Viol_max 0.795
_Distance_constraint_stats_list.Viol_rms 0.0286
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0626
_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 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.357 0.054 3 0 "[ . 1 . 2]"
1 4 ASN 0.688 0.075 4 0 "[ . 1 . 2]"
1 5 ILE 8.010 0.139 3 0 "[ . 1 . 2]"
1 6 VAL 8.556 0.242 5 0 "[ . 1 . 2]"
1 7 GLY 8.050 0.795 5 5 "[ + - * *. * 2]"
1 8 LYS 5.674 0.355 4 0 "[ . 1 . 2]"
1 9 VAL 2.433 0.118 9 0 "[ . 1 . 2]"
1 10 LYS 6.940 0.229 16 0 "[ . 1 . 2]"
1 11 TRP 2.991 0.095 1 0 "[ . 1 . 2]"
1 12 TYR 1.275 0.095 1 0 "[ . 1 . 2]"
1 13 ASN 0.248 0.072 6 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.111 0.090 13 0 "[ . 1 . 2]"
1 16 LYS 0.904 0.131 6 0 "[ . 1 . 2]"
1 17 ASN 1.149 0.106 7 0 "[ . 1 . 2]"
1 18 PHE 0.532 0.101 11 0 "[ . 1 . 2]"
1 19 GLY 0.507 0.101 11 0 "[ . 1 . 2]"
1 20 PHE 1.299 0.089 11 0 "[ . 1 . 2]"
1 21 ILE 4.804 0.180 2 0 "[ . 1 . 2]"
1 22 GLU 2.935 0.140 4 0 "[ . 1 . 2]"
1 23 GLN 6.352 0.242 5 0 "[ . 1 . 2]"
1 24 ASP 2.435 0.170 17 0 "[ . 1 . 2]"
1 25 ASN 2.729 0.157 9 0 "[ . 1 . 2]"
1 26 GLY 0.939 0.140 4 0 "[ . 1 . 2]"
1 27 GLY 1.663 0.174 12 0 "[ . 1 . 2]"
1 28 LYS 2.703 0.222 5 0 "[ . 1 . 2]"
1 29 ASP 0.325 0.086 6 0 "[ . 1 . 2]"
1 30 VAL 5.071 0.155 20 0 "[ . 1 . 2]"
1 31 PHE 1.181 0.133 6 0 "[ . 1 . 2]"
1 32 VAL 2.697 0.110 3 0 "[ . 1 . 2]"
1 33 HIS 6.097 0.163 11 0 "[ . 1 . 2]"
1 34 LYS 5.912 0.181 19 0 "[ . 1 . 2]"
1 35 SER 3.240 0.163 11 0 "[ . 1 . 2]"
1 36 ALA 3.498 0.203 1 0 "[ . 1 . 2]"
1 37 VAL 5.022 0.181 19 0 "[ . 1 . 2]"
1 38 ASP 0.457 0.067 1 0 "[ . 1 . 2]"
1 39 ALA 4.146 0.203 1 0 "[ . 1 . 2]"
1 40 ALA 0.781 0.067 1 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 2.902 0.167 13 0 "[ . 1 . 2]"
1 43 HIS 0.096 0.045 7 0 "[ . 1 . 2]"
1 44 SER 1.638 0.188 9 0 "[ . 1 . 2]"
1 45 LEU 3.525 0.205 9 0 "[ . 1 . 2]"
1 46 GLU 1.563 0.205 9 0 "[ . 1 . 2]"
1 47 GLU 2.603 0.154 20 0 "[ . 1 . 2]"
1 48 GLY 1.963 0.137 9 0 "[ . 1 . 2]"
1 49 GLN 4.246 0.127 15 0 "[ . 1 . 2]"
1 50 ASP 2.495 0.127 15 0 "[ . 1 . 2]"
1 51 VAL 7.939 0.229 16 0 "[ . 1 . 2]"
1 52 ILE 5.596 0.165 6 0 "[ . 1 . 2]"
1 53 PHE 14.803 0.795 5 5 "[ + - * *. * 2]"
1 54 ASP 5.242 0.141 10 0 "[ . 1 . 2]"
1 55 LEU 5.302 0.164 13 0 "[ . 1 . 2]"
1 56 GLU 2.773 0.164 13 0 "[ . 1 . 2]"
1 57 GLU 1.054 0.161 15 0 "[ . 1 . 2]"
1 58 LYS 2.381 0.145 10 0 "[ . 1 . 2]"
1 59 GLN 0.042 0.011 11 0 "[ . 1 . 2]"
1 60 GLY 0.042 0.011 11 0 "[ . 1 . 2]"
1 61 LYS 2.070 0.159 7 0 "[ . 1 . 2]"
1 62 ALA 1.222 0.100 18 0 "[ . 1 . 2]"
1 63 TYR 3.354 0.142 17 0 "[ . 1 . 2]"
1 64 ALA 6.722 0.142 17 0 "[ . 1 . 2]"
1 65 VAL 2.612 0.107 10 0 "[ . 1 . 2]"
1 66 ASN 2.333 0.141 2 0 "[ . 1 . 2]"
1 67 LEU 7.366 0.193 20 0 "[ . 1 . 2]"
1 68 ARG 5.883 0.243 9 0 "[ . 1 . 2]"
1 69 ILE 3.022 0.216 3 0 "[ . 1 . 2]"
1 70 LYS 7.274 0.141 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 THR H . . 3.060 2.193 2.128 2.323 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 5 ILE MD . . 4.750 4.220 3.600 4.669 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 THR H . . 3.710 3.208 2.712 3.564 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 5 ILE MD . . 3.320 1.960 1.798 2.262 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR H 1 3 THR HB . . 4.120 3.677 3.559 3.784 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 3 THR MG . . 3.590 2.867 2.528 3.328 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR HA 1 4 ASN H . . 3.120 2.178 2.069 2.318 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR HA 1 5 ILE H . . 4.470 4.363 3.703 4.524 0.054 3 0 "[ . 1 . 2]" 1
9 1 3 THR HB 1 4 ASN H . . 3.170 2.809 2.480 3.037 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR MG 1 4 ASN H . . 4.140 3.625 3.456 3.818 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR MG 1 54 ASP HB3 . . 4.050 2.883 2.072 4.009 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASN H 1 4 ASN HA . . 2.940 2.257 2.221 2.319 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASN H 1 5 ILE H . . 3.400 3.042 2.680 3.198 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASN H 1 52 ILE MG . . 4.250 4.139 3.842 4.325 0.075 4 0 "[ . 1 . 2]" 1
15 1 4 ASN H 1 54 ASP HA . . 3.730 3.016 2.664 3.231 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASN HA 1 5 ILE H . . 3.320 2.282 2.107 2.726 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASN HA 1 52 ILE MG . . 3.410 2.487 2.185 2.771 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASN HA 1 53 PHE H . . 4.780 3.891 3.594 4.372 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASN HB2 1 4 ASN HD21 . . 3.470 2.673 2.190 3.483 0.013 1 0 "[ . 1 . 2]" 1
20 1 4 ASN HB2 1 4 ASN HD22 . . 4.100 3.677 3.457 4.050 . 0 0 "[ . 1 . 2]" 1
21 1 4 ASN HB3 1 52 ILE MG . . 4.070 3.576 2.684 4.142 0.072 18 0 "[ . 1 . 2]" 1
22 1 5 ILE H 1 5 ILE HB . . 3.240 2.464 2.397 2.571 . 0 0 "[ . 1 . 2]" 1
23 1 5 ILE H 1 5 ILE MD . . 3.980 3.765 3.581 3.909 . 0 0 "[ . 1 . 2]" 1
24 1 5 ILE H 1 5 ILE HG12 . . 3.490 3.471 3.179 3.554 0.064 11 0 "[ . 1 . 2]" 1
25 1 5 ILE H 1 5 ILE HG13 . . 3.410 2.359 2.058 2.486 . 0 0 "[ . 1 . 2]" 1
26 1 5 ILE H 1 5 ILE MG . . 3.840 3.770 3.733 3.824 . 0 0 "[ . 1 . 2]" 1
27 1 5 ILE H 1 52 ILE MG . . 3.910 3.035 2.761 3.567 . 0 0 "[ . 1 . 2]" 1
28 1 5 ILE HA 1 5 ILE MD . . 3.910 3.728 3.707 3.750 . 0 0 "[ . 1 . 2]" 1
29 1 5 ILE HA 1 5 ILE HG12 . . 4.230 2.454 2.388 2.494 . 0 0 "[ . 1 . 2]" 1
30 1 5 ILE HA 1 5 ILE HG13 . . 3.970 3.111 3.051 3.177 . 0 0 "[ . 1 . 2]" 1
31 1 5 ILE HA 1 5 ILE MG . . 3.430 2.433 2.396 2.476 . 0 0 "[ . 1 . 2]" 1
32 1 5 ILE HA 1 6 VAL H . . 2.780 2.176 2.103 2.247 . 0 0 "[ . 1 . 2]" 1
33 1 5 ILE HB 1 5 ILE MD . . 3.010 2.430 2.397 2.477 . 0 0 "[ . 1 . 2]" 1
34 1 5 ILE HB 1 5 ILE MG . . 2.610 2.121 2.112 2.131 . 0 0 "[ . 1 . 2]" 1
35 1 5 ILE HB 1 6 VAL H . . 4.390 3.808 3.737 3.866 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE HB 1 53 PHE H . . 4.160 2.849 2.780 2.958 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE HB 1 53 PHE QD . . 3.960 3.399 3.288 3.464 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE HB 1 53 PHE QE . . 4.410 3.412 3.270 3.519 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE MD 1 5 ILE MG . . 2.420 1.839 1.795 1.906 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE MD 1 6 VAL H . . 4.540 4.612 4.570 4.650 0.110 2 0 "[ . 1 . 2]" 1
41 1 5 ILE MD 1 53 PHE QD . . 4.100 2.860 2.674 2.997 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE MD 1 53 PHE QE . . 3.960 2.393 2.248 2.682 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE MD 1 54 ASP H . . 4.570 4.609 4.514 4.639 0.069 13 0 "[ . 1 . 2]" 1
44 1 5 ILE MD 1 54 ASP HA . . 4.760 3.076 2.942 3.185 . 0 0 "[ . 1 . 2]" 1
45 1 5 ILE MD 1 55 LEU H . . 4.040 2.793 2.478 3.019 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE MD 1 55 LEU HB2 . . 4.370 2.107 1.975 2.349 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE HG12 1 5 ILE MG . . 2.920 2.528 2.498 2.559 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE HG12 1 6 VAL H . . 4.380 4.178 4.110 4.222 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE HG13 1 53 PHE H . . 4.220 4.286 4.252 4.327 0.107 10 0 "[ . 1 . 2]" 1
50 1 5 ILE HG13 1 55 LEU H . . 3.810 3.643 3.297 3.822 0.012 1 0 "[ . 1 . 2]" 1
51 1 5 ILE HG13 1 55 LEU HB3 . . 4.110 4.141 4.090 4.186 0.076 2 0 "[ . 1 . 2]" 1
52 1 5 ILE MG 1 6 VAL H . . 3.370 2.195 2.089 2.300 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE MG 1 7 GLY H . . 4.060 4.151 4.101 4.199 0.139 3 0 "[ . 1 . 2]" 1
54 1 5 ILE MG 1 53 PHE QD . . 3.750 3.805 3.777 3.831 0.081 20 0 "[ . 1 . 2]" 1
55 1 5 ILE MG 1 53 PHE QE . . 3.270 2.748 2.646 2.826 . 0 0 "[ . 1 . 2]" 1
56 1 6 VAL H 1 6 VAL HB . . 3.230 2.472 2.373 2.813 . 0 0 "[ . 1 . 2]" 1
57 1 6 VAL H 1 6 VAL QG . . 3.260 2.447 1.963 2.678 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL HA 1 6 VAL QG . . 3.260 2.162 2.121 2.319 . 0 0 "[ . 1 . 2]" 1
59 1 6 VAL HA 1 7 GLY H . . 3.130 2.136 2.093 2.221 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL HA 1 52 ILE HA . . 3.750 3.177 2.854 3.439 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL HA 1 53 PHE H . . 4.460 4.465 4.298 4.573 0.113 17 0 "[ . 1 . 2]" 1
62 1 6 VAL HB 1 7 GLY H . . 4.070 4.110 4.079 4.136 0.066 20 0 "[ . 1 . 2]" 1
63 1 6 VAL HB 1 23 GLN QB . . 4.130 3.249 2.844 4.262 0.132 7 0 "[ . 1 . 2]" 1
64 1 6 VAL HB 1 23 GLN HE21 . . 4.660 3.545 2.452 4.762 0.102 7 0 "[ . 1 . 2]" 1
65 1 6 VAL QG 1 7 GLY H . . 3.350 2.545 2.427 2.620 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL QG 1 8 LYS H . . 4.260 4.392 4.336 4.463 0.203 3 0 "[ . 1 . 2]" 1
67 1 6 VAL QG 1 23 GLN HE21 . . 3.850 3.647 2.102 3.947 0.097 1 0 "[ . 1 . 2]" 1
68 1 6 VAL QG 1 23 GLN HE22 . . 4.180 3.681 3.350 4.422 0.242 5 0 "[ . 1 . 2]" 1
69 1 6 VAL QG 1 23 GLN HG2 . . 4.290 4.251 3.601 4.393 0.103 18 0 "[ . 1 . 2]" 1
70 1 6 VAL QG 1 23 GLN HG3 . . 4.660 3.914 2.314 4.455 . 0 0 "[ . 1 . 2]" 1
71 1 6 VAL QG 1 51 VAL H . . 4.470 4.406 4.226 4.516 0.046 10 0 "[ . 1 . 2]" 1
72 1 6 VAL QG 1 52 ILE HA . . 4.390 4.204 3.898 4.423 0.033 7 0 "[ . 1 . 2]" 1
73 1 7 GLY H 1 21 ILE MG . . 4.860 4.087 3.879 4.234 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLY H 1 50 ASP HB3 . . 4.590 4.471 4.135 4.646 0.056 3 0 "[ . 1 . 2]" 1
75 1 7 GLY H 1 51 VAL H . . 3.430 3.192 3.077 3.339 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLY H 1 53 PHE QD . . 4.450 4.358 4.214 4.468 0.018 10 0 "[ . 1 . 2]" 1
77 1 7 GLY H 1 53 PHE QE . . 3.990 3.713 3.358 3.928 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLY HA2 1 8 LYS H . . 3.270 2.341 2.247 2.438 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLY HA2 1 21 ILE MG . . 3.840 3.650 3.317 3.877 0.037 14 0 "[ . 1 . 2]" 1
80 1 7 GLY HA2 1 24 ASP H . . 4.820 3.518 3.366 3.761 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLY HA2 1 53 PHE QE . . 3.910 4.113 3.677 4.705 0.795 5 5 "[ + - * *. * 2]" 1
82 1 7 GLY HA3 1 21 ILE MG . . 4.500 2.361 2.146 2.538 . 0 0 "[ . 1 . 2]" 1
83 1 8 LYS H 1 8 LYS HB2 . . 3.600 2.980 2.733 3.153 . 0 0 "[ . 1 . 2]" 1
84 1 8 LYS H 1 8 LYS QG . . 3.880 3.927 3.904 3.948 0.068 20 0 "[ . 1 . 2]" 1
85 1 8 LYS H 1 21 ILE MG . . 3.510 2.905 2.625 3.345 . 0 0 "[ . 1 . 2]" 1
86 1 8 LYS H 1 22 GLU H . . 3.650 3.026 2.820 3.299 . 0 0 "[ . 1 . 2]" 1
87 1 8 LYS H 1 22 GLU QG . . 4.290 3.860 3.618 3.998 . 0 0 "[ . 1 . 2]" 1
88 1 8 LYS HA 1 8 LYS QG . . 3.980 2.509 2.472 2.570 . 0 0 "[ . 1 . 2]" 1
89 1 8 LYS HA 1 9 VAL H . . 2.940 2.159 2.116 2.205 . 0 0 "[ . 1 . 2]" 1
90 1 8 LYS HA 1 50 ASP HA . . 3.550 1.968 1.830 2.233 . 0 0 "[ . 1 . 2]" 1
91 1 8 LYS HA 1 51 VAL H . . 4.080 2.716 2.456 3.025 . 0 0 "[ . 1 . 2]" 1
92 1 8 LYS HB2 1 8 LYS QE . . 3.260 2.169 1.888 3.211 . 0 0 "[ . 1 . 2]" 1
93 1 8 LYS HB2 1 8 LYS QG . . 2.620 2.338 2.222 2.390 . 0 0 "[ . 1 . 2]" 1
94 1 8 LYS HB2 1 9 VAL H . . 4.090 4.060 3.987 4.123 0.033 11 0 "[ . 1 . 2]" 1
95 1 8 LYS HB3 1 8 LYS QD . . 2.400 2.427 2.151 2.616 0.216 8 0 "[ . 1 . 2]" 1
96 1 8 LYS HB3 1 8 LYS QE . . 3.190 2.865 1.894 3.545 0.355 4 0 "[ . 1 . 2]" 1
97 1 8 LYS HB3 1 22 GLU H . . 3.940 3.949 3.709 4.052 0.112 4 0 "[ . 1 . 2]" 1
98 1 8 LYS HB3 1 22 GLU QG . . 3.860 3.685 3.206 3.916 0.056 10 0 "[ . 1 . 2]" 1
99 1 8 LYS QD 1 8 LYS QG . . 2.480 2.020 2.008 2.029 . 0 0 "[ . 1 . 2]" 1
100 1 8 LYS QD 1 48 GLY H . . 4.540 3.400 2.939 3.806 . 0 0 "[ . 1 . 2]" 1
101 1 8 LYS QD 1 48 GLY HA3 . . 4.290 3.946 3.566 4.334 0.044 8 0 "[ . 1 . 2]" 1
102 1 8 LYS QG 1 9 VAL H . . 3.980 2.586 2.459 2.785 . 0 0 "[ . 1 . 2]" 1
103 1 8 LYS QG 1 48 GLY H . . 4.500 2.879 2.647 3.190 . 0 0 "[ . 1 . 2]" 1
104 1 8 LYS QG 1 48 GLY HA3 . . 4.560 4.289 4.092 4.578 0.018 2 0 "[ . 1 . 2]" 1
105 1 8 LYS QG 1 50 ASP HA . . 4.690 3.083 2.717 3.579 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL H 1 9 VAL HB . . 3.320 2.591 2.506 2.656 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL H 1 9 VAL MG1 . . 4.100 3.787 3.745 3.832 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL H 1 9 VAL MG2 . . 3.080 2.069 2.011 2.146 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL H 1 21 ILE MG . . 4.510 3.571 3.440 3.706 . 0 0 "[ . 1 . 2]" 1
110 1 9 VAL H 1 49 GLN H . . 4.140 3.713 3.210 3.882 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL H 1 50 ASP HA . . 4.200 3.313 3.073 3.618 . 0 0 "[ . 1 . 2]" 1
112 1 9 VAL H 1 51 VAL HB . . 4.460 4.027 3.733 4.297 . 0 0 "[ . 1 . 2]" 1
113 1 9 VAL H 1 51 VAL MG1 . . 4.240 2.925 2.685 3.089 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL HA 1 9 VAL MG1 . . 3.330 2.423 2.404 2.452 . 0 0 "[ . 1 . 2]" 1
115 1 9 VAL HA 1 10 LYS H . . 3.000 2.040 1.957 2.157 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL HA 1 11 TRP H . . 3.960 3.813 3.672 3.971 0.011 11 0 "[ . 1 . 2]" 1
117 1 9 VAL HA 1 21 ILE HA . . 3.480 2.609 2.439 2.836 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL HA 1 21 ILE HG12 . . 4.280 2.195 2.032 2.367 . 0 0 "[ . 1 . 2]" 1
119 1 9 VAL HA 1 21 ILE MG . . 4.810 2.686 2.540 2.813 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL HA 1 22 GLU H . . 4.050 4.017 3.867 4.092 0.042 11 0 "[ . 1 . 2]" 1
121 1 9 VAL HB 1 47 GLU HB2 . . 5.090 4.818 4.439 5.133 0.043 1 0 "[ . 1 . 2]" 1
122 1 9 VAL HB 1 48 GLY H . . 3.710 3.332 2.953 3.694 . 0 0 "[ . 1 . 2]" 1
123 1 9 VAL HB 1 49 GLN H . . 3.200 2.765 2.496 2.886 . 0 0 "[ . 1 . 2]" 1
124 1 9 VAL HB 1 49 GLN HB3 . . 4.280 4.264 4.016 4.324 0.044 14 0 "[ . 1 . 2]" 1
125 1 9 VAL MG1 1 10 LYS H . . 3.740 3.053 2.817 3.212 . 0 0 "[ . 1 . 2]" 1
126 1 9 VAL MG1 1 11 TRP H . . 3.630 2.724 2.448 2.994 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL MG1 1 12 TYR H . . 4.480 3.780 3.541 4.108 . 0 0 "[ . 1 . 2]" 1
128 1 9 VAL MG1 1 12 TYR HB2 . . 4.580 2.583 2.301 2.863 . 0 0 "[ . 1 . 2]" 1
129 1 9 VAL MG1 1 12 TYR HB3 . . 4.480 3.109 2.676 3.548 . 0 0 "[ . 1 . 2]" 1
130 1 9 VAL MG1 1 45 LEU HB2 . . 3.560 3.570 3.270 3.678 0.118 9 0 "[ . 1 . 2]" 1
131 1 9 VAL MG1 1 46 GLU H . . 3.930 2.949 2.446 3.561 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL MG1 1 47 GLU HA . . 3.790 2.542 2.227 2.750 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL MG1 1 48 GLY H . . 4.180 4.075 3.823 4.249 0.069 17 0 "[ . 1 . 2]" 1
134 1 9 VAL MG1 1 49 GLN H . . 4.120 4.143 4.061 4.193 0.073 9 0 "[ . 1 . 2]" 1
135 1 9 VAL MG2 1 10 LYS H . . 4.540 4.092 3.973 4.175 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL MG2 1 21 ILE MD . . 4.100 3.019 2.712 3.357 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL MG2 1 21 ILE HG12 . . 4.010 2.791 2.502 3.135 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL MG2 1 46 GLU H . . 4.060 3.100 2.644 3.804 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL MG2 1 49 GLN H . . 4.010 3.636 3.379 3.825 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL MG2 1 49 GLN HB2 . . 4.030 2.428 2.133 2.739 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL MG2 1 49 GLN HB3 . . 4.080 3.079 2.749 3.311 . 0 0 "[ . 1 . 2]" 1
142 1 10 LYS H 1 10 LYS HB2 . . 3.640 2.398 2.244 2.581 . 0 0 "[ . 1 . 2]" 1
143 1 10 LYS H 1 10 LYS HB3 . . 3.440 2.541 2.266 3.564 0.124 8 0 "[ . 1 . 2]" 1
144 1 10 LYS H 1 11 TRP H . . 3.350 2.521 2.381 2.721 . 0 0 "[ . 1 . 2]" 1
145 1 10 LYS H 1 20 PHE HB3 . . 4.540 4.603 4.557 4.629 0.089 11 0 "[ . 1 . 2]" 1
146 1 10 LYS H 1 21 ILE HA . . 3.340 1.883 1.690 2.106 . 0 0 "[ . 1 . 2]" 1
147 1 10 LYS H 1 21 ILE MG . . 4.720 3.496 3.382 3.725 . 0 0 "[ . 1 . 2]" 1
148 1 10 LYS H 1 22 GLU QG . . 4.560 4.343 3.994 4.639 0.079 19 0 "[ . 1 . 2]" 1
149 1 10 LYS H 1 51 VAL MG1 . . 4.740 4.844 4.774 4.969 0.229 16 0 "[ . 1 . 2]" 1
150 1 10 LYS HA 1 10 LYS QD . . 4.640 4.028 3.935 4.213 . 0 0 "[ . 1 . 2]" 1
151 1 10 LYS HA 1 10 LYS QG . . 3.630 2.533 2.435 2.570 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS HA 1 11 TRP H . . 4.080 3.528 3.506 3.564 . 0 0 "[ . 1 . 2]" 1
153 1 10 LYS HB2 1 10 LYS QD . . 2.500 2.319 2.224 2.576 0.076 10 0 "[ . 1 . 2]" 1
154 1 10 LYS HB2 1 11 TRP H . . 3.690 3.477 2.285 3.763 0.073 19 0 "[ . 1 . 2]" 1
155 1 10 LYS HB2 1 22 GLU QG . . 4.320 2.880 2.301 4.406 0.086 16 0 "[ . 1 . 2]" 1
156 1 10 LYS HB3 1 10 LYS QG . . 2.510 2.338 2.255 2.401 . 0 0 "[ . 1 . 2]" 1
157 1 10 LYS HB3 1 11 TRP H . . 3.790 2.476 2.191 3.350 . 0 0 "[ . 1 . 2]" 1
158 1 10 LYS HB3 1 20 PHE HB2 . . 4.360 2.796 2.522 3.664 . 0 0 "[ . 1 . 2]" 1
159 1 10 LYS HB3 1 20 PHE HB3 . . 4.510 3.089 2.774 4.489 . 0 0 "[ . 1 . 2]" 1
160 1 10 LYS QD 1 21 ILE H . . 4.070 3.498 3.091 4.219 0.149 18 0 "[ . 1 . 2]" 1
161 1 10 LYS QE 1 21 ILE H . . 4.810 4.787 3.896 4.990 0.180 2 0 "[ . 1 . 2]" 1
162 1 11 TRP H 1 12 TYR H . . 4.520 4.203 4.126 4.274 . 0 0 "[ . 1 . 2]" 1
163 1 11 TRP H 1 20 PHE H . . 3.910 2.721 2.528 2.944 . 0 0 "[ . 1 . 2]" 1
164 1 11 TRP H 1 20 PHE HB2 . . 4.590 3.801 3.598 4.107 . 0 0 "[ . 1 . 2]" 1
165 1 11 TRP HA 1 12 TYR H . . 3.390 2.329 2.246 2.437 . 0 0 "[ . 1 . 2]" 1
166 1 11 TRP HB2 1 11 TRP HD1 . . 3.930 3.825 3.799 3.853 . 0 0 "[ . 1 . 2]" 1
167 1 11 TRP HB2 1 11 TRP HE3 . . 4.350 2.418 2.382 2.455 . 0 0 "[ . 1 . 2]" 1
168 1 11 TRP HB2 1 12 TYR H . . 4.170 2.377 2.295 2.453 . 0 0 "[ . 1 . 2]" 1
169 1 11 TRP HB3 1 11 TRP HE3 . . 3.910 3.979 3.958 3.997 0.087 13 0 "[ . 1 . 2]" 1
170 1 11 TRP HB3 1 12 TYR H . . 3.630 3.691 3.657 3.725 0.095 1 0 "[ . 1 . 2]" 1
171 1 11 TRP HE1 1 20 PHE HB3 . . 4.590 4.312 3.906 4.614 0.024 19 0 "[ . 1 . 2]" 1
172 1 11 TRP HE1 1 20 PHE QD . . 4.800 2.735 2.150 3.536 . 0 0 "[ . 1 . 2]" 1
173 1 11 TRP HE3 1 12 TYR H . . 4.240 2.852 2.637 3.020 . 0 0 "[ . 1 . 2]" 1
174 1 11 TRP HE3 1 13 ASN H . . 4.120 3.070 2.700 3.488 . 0 0 "[ . 1 . 2]" 1
175 1 11 TRP HE3 1 19 GLY HA3 . . 4.830 3.896 3.652 4.005 . 0 0 "[ . 1 . 2]" 1
176 1 11 TRP HZ2 1 20 PHE QD . . 4.270 2.303 2.096 2.575 . 0 0 "[ . 1 . 2]" 1
177 1 11 TRP HZ2 1 20 PHE QE . . 3.410 2.477 2.223 2.730 . 0 0 "[ . 1 . 2]" 1
178 1 11 TRP HZ3 1 13 ASN H . . 4.080 2.883 2.431 3.362 . 0 0 "[ . 1 . 2]" 1
179 1 11 TRP HZ3 1 19 GLY HA2 . . 4.340 3.023 2.544 3.248 . 0 0 "[ . 1 . 2]" 1
180 1 12 TYR H 1 12 TYR HB2 . . 3.920 3.442 3.346 3.516 . 0 0 "[ . 1 . 2]" 1
181 1 12 TYR H 1 12 TYR HB3 . . 4.300 2.999 2.834 3.089 . 0 0 "[ . 1 . 2]" 1
182 1 12 TYR HA 1 12 TYR QD . . 3.900 2.751 2.609 2.919 . 0 0 "[ . 1 . 2]" 1
183 1 12 TYR HA 1 13 ASN H . . 3.190 2.110 2.060 2.200 . 0 0 "[ . 1 . 2]" 1
184 1 12 TYR HA 1 19 GLY HA2 . . 4.210 2.906 2.568 3.275 . 0 0 "[ . 1 . 2]" 1
185 1 12 TYR HA 1 19 GLY HA3 . . 3.550 2.042 1.898 2.269 . 0 0 "[ . 1 . 2]" 1
186 1 12 TYR HB2 1 12 TYR QD . . 3.500 2.486 2.415 2.538 . 0 0 "[ . 1 . 2]" 1
187 1 12 TYR HB2 1 45 LEU HB3 . . 4.400 3.414 2.920 4.406 0.006 12 0 "[ . 1 . 2]" 1
188 1 12 TYR HB3 1 45 LEU HB3 . . 4.540 3.479 3.106 4.007 . 0 0 "[ . 1 . 2]" 1
189 1 12 TYR QD 1 19 GLY HA2 . . 4.580 4.083 3.636 4.611 0.031 14 0 "[ . 1 . 2]" 1
190 1 12 TYR QD 1 19 GLY HA3 . . 3.770 2.538 2.018 3.184 . 0 0 "[ . 1 . 2]" 1
191 1 12 TYR QD 1 32 VAL MG1 . . 3.730 2.082 1.903 2.674 . 0 0 "[ . 1 . 2]" 1
192 1 12 TYR QD 1 32 VAL MG2 . . 4.380 3.724 3.472 4.205 . 0 0 "[ . 1 . 2]" 1
193 1 12 TYR QE 1 32 VAL MG1 . . 3.740 2.928 2.501 3.756 0.016 7 0 "[ . 1 . 2]" 1
194 1 13 ASN H 1 13 ASN HB2 . . 3.670 2.627 2.450 2.940 . 0 0 "[ . 1 . 2]" 1
195 1 13 ASN H 1 13 ASN HB3 . . 3.900 3.364 2.417 3.794 . 0 0 "[ . 1 . 2]" 1
196 1 13 ASN H 1 19 GLY HA2 . . 4.570 3.526 3.234 3.955 . 0 0 "[ . 1 . 2]" 1
197 1 13 ASN H 1 19 GLY HA3 . . 4.610 3.416 3.161 3.890 . 0 0 "[ . 1 . 2]" 1
198 1 13 ASN HA 1 14 SER H . . 3.860 2.110 2.018 2.196 . 0 0 "[ . 1 . 2]" 1
199 1 13 ASN HA 1 15 THR H . . 4.230 3.662 3.435 3.944 . 0 0 "[ . 1 . 2]" 1
200 1 13 ASN HB2 1 14 SER H . . 4.690 4.391 4.223 4.481 . 0 0 "[ . 1 . 2]" 1
201 1 13 ASN HB2 1 16 LYS H . . 4.610 3.646 2.879 4.504 . 0 0 "[ . 1 . 2]" 1
202 1 13 ASN HB2 1 16 LYS HB2 . . 4.280 3.233 2.218 4.299 0.019 16 0 "[ . 1 . 2]" 1
203 1 13 ASN HB2 1 18 PHE H . . 4.400 4.034 3.463 4.472 0.072 6 0 "[ . 1 . 2]" 1
204 1 14 SER H 1 14 SER QB . . 3.880 2.452 2.215 2.592 . 0 0 "[ . 1 . 2]" 1
205 1 14 SER QB 1 15 THR H . . 4.140 3.135 2.420 3.673 . 0 0 "[ . 1 . 2]" 1
206 1 15 THR H 1 15 THR HB . . 3.290 2.603 2.508 3.380 0.090 13 0 "[ . 1 . 2]" 1
207 1 15 THR H 1 16 LYS H . . 3.200 2.642 2.430 2.844 . 0 0 "[ . 1 . 2]" 1
208 1 15 THR HA 1 15 THR HB . . 3.110 3.003 2.520 3.038 . 0 0 "[ . 1 . 2]" 1
209 1 15 THR HA 1 15 THR MG . . 3.640 2.346 2.255 2.409 . 0 0 "[ . 1 . 2]" 1
210 1 15 THR HA 1 16 LYS H . . 4.940 3.537 3.466 3.572 . 0 0 "[ . 1 . 2]" 1
211 1 15 THR HB 1 16 LYS H . . 3.450 2.746 2.230 3.471 0.021 13 0 "[ . 1 . 2]" 1
212 1 15 THR MG 1 16 LYS H . . 4.660 3.692 3.389 3.971 . 0 0 "[ . 1 . 2]" 1
213 1 16 LYS H 1 16 LYS HB2 . . 3.360 2.517 2.432 2.612 . 0 0 "[ . 1 . 2]" 1
214 1 16 LYS H 1 16 LYS HB3 . . 4.100 3.680 3.618 3.747 . 0 0 "[ . 1 . 2]" 1
215 1 16 LYS H 1 16 LYS QG . . 3.470 2.620 2.328 2.826 . 0 0 "[ . 1 . 2]" 1
216 1 16 LYS H 1 17 ASN H . . 3.230 2.202 1.933 2.463 . 0 0 "[ . 1 . 2]" 1
217 1 16 LYS HA 1 16 LYS QG . . 3.960 2.469 2.378 2.962 . 0 0 "[ . 1 . 2]" 1
218 1 16 LYS HA 1 17 ASN H . . 4.010 3.325 3.237 3.377 . 0 0 "[ . 1 . 2]" 1
219 1 16 LYS HB2 1 16 LYS HD2 . . 3.940 2.858 2.393 4.065 0.125 6 0 "[ . 1 . 2]" 1
220 1 16 LYS HB2 1 16 LYS HD3 . . 3.230 2.899 2.490 3.361 0.131 6 0 "[ . 1 . 2]" 1
221 1 16 LYS HB2 1 17 ASN H . . 4.490 3.379 3.264 3.495 . 0 0 "[ . 1 . 2]" 1
222 1 16 LYS HB2 1 18 PHE H . . 4.630 2.933 2.609 3.246 . 0 0 "[ . 1 . 2]" 1
223 1 16 LYS HB3 1 16 LYS HD2 . . 3.490 3.213 2.954 3.614 0.124 10 0 "[ . 1 . 2]" 1
224 1 16 LYS HB3 1 16 LYS HD3 . . 3.270 2.574 2.135 3.058 . 0 0 "[ . 1 . 2]" 1
225 1 16 LYS HB3 1 17 ASN H . . 4.730 4.173 4.109 4.277 . 0 0 "[ . 1 . 2]" 1
226 1 16 LYS HB3 1 18 PHE H . . 4.890 3.803 3.507 4.075 . 0 0 "[ . 1 . 2]" 1
227 1 16 LYS HD3 1 16 LYS QG . . 2.700 2.353 2.321 2.381 . 0 0 "[ . 1 . 2]" 1
228 1 17 ASN H 1 17 ASN HA . . 3.000 2.267 2.213 2.296 . 0 0 "[ . 1 . 2]" 1
229 1 17 ASN H 1 17 ASN HD21 . . 4.280 3.159 2.118 4.369 0.089 18 0 "[ . 1 . 2]" 1
230 1 17 ASN H 1 18 PHE H . . 3.650 2.678 2.588 2.793 . 0 0 "[ . 1 . 2]" 1
231 1 17 ASN HA 1 17 ASN HD21 . . 4.410 2.533 1.788 4.302 . 0 0 "[ . 1 . 2]" 1
232 1 17 ASN HA 1 17 ASN HD22 . . 4.510 3.765 3.365 4.497 . 0 0 "[ . 1 . 2]" 1
233 1 17 ASN HA 1 18 PHE H . . 3.870 2.957 2.810 3.082 . 0 0 "[ . 1 . 2]" 1
234 1 17 ASN HA 1 34 LYS HD2 . . 4.530 4.044 2.921 4.602 0.072 7 0 "[ . 1 . 2]" 1
235 1 17 ASN HB2 1 34 LYS H . . 4.800 4.232 3.788 4.831 0.031 6 0 "[ . 1 . 2]" 1
236 1 17 ASN HB2 1 34 LYS HB3 . . 5.100 3.902 3.585 4.181 . 0 0 "[ . 1 . 2]" 1
237 1 17 ASN HB2 1 34 LYS HD2 . . 5.050 4.761 3.042 5.156 0.106 7 0 "[ . 1 . 2]" 1
238 1 17 ASN HB3 1 34 LYS H . . 4.220 3.119 2.414 4.252 0.032 14 0 "[ . 1 . 2]" 1
239 1 17 ASN HB3 1 34 LYS HB2 . . 4.350 2.233 1.944 2.720 . 0 0 "[ . 1 . 2]" 1
240 1 17 ASN HB3 1 34 LYS HB3 . . 4.290 2.598 2.149 3.629 . 0 0 "[ . 1 . 2]" 1
241 1 17 ASN HD21 1 34 LYS HB2 . . 4.490 3.961 2.998 4.564 0.074 14 0 "[ . 1 . 2]" 1
242 1 18 PHE HA 1 19 GLY H . . 3.430 2.320 2.206 2.495 . 0 0 "[ . 1 . 2]" 1
243 1 18 PHE HB2 1 19 GLY H . . 4.240 3.313 2.109 3.993 . 0 0 "[ . 1 . 2]" 1
244 1 18 PHE HB3 1 19 GLY H . . 3.560 2.951 2.258 3.661 0.101 11 0 "[ . 1 . 2]" 1
245 1 19 GLY H 1 32 VAL H . . 3.840 2.917 2.671 3.192 . 0 0 "[ . 1 . 2]" 1
246 1 19 GLY H 1 32 VAL MG1 . . 3.930 2.718 2.409 2.972 . 0 0 "[ . 1 . 2]" 1
247 1 19 GLY H 1 32 VAL MG2 . . 4.770 4.654 4.302 4.809 0.039 12 0 "[ . 1 . 2]" 1
248 1 19 GLY HA2 1 20 PHE H . . 3.780 2.730 2.610 2.889 . 0 0 "[ . 1 . 2]" 1
249 1 19 GLY HA3 1 20 PHE H . . 3.600 2.379 2.240 2.476 . 0 0 "[ . 1 . 2]" 1
250 1 19 GLY HA3 1 32 VAL MG1 . . 3.960 2.623 2.374 2.928 . 0 0 "[ . 1 . 2]" 1
251 1 20 PHE H 1 20 PHE HB3 . . 4.060 3.766 3.716 3.806 . 0 0 "[ . 1 . 2]" 1
252 1 20 PHE H 1 21 ILE H . . 4.680 4.388 4.361 4.426 . 0 0 "[ . 1 . 2]" 1
253 1 20 PHE H 1 32 VAL MG1 . . 3.700 3.085 2.857 3.329 . 0 0 "[ . 1 . 2]" 1
254 1 20 PHE HA 1 21 ILE H . . 3.050 2.349 2.238 2.469 . 0 0 "[ . 1 . 2]" 1
255 1 20 PHE HA 1 31 PHE HA . . 4.110 1.966 1.873 2.126 . 0 0 "[ . 1 . 2]" 1
256 1 20 PHE HA 1 31 PHE QB . . 4.080 3.476 3.260 3.672 . 0 0 "[ . 1 . 2]" 1
257 1 20 PHE HA 1 32 VAL H . . 4.250 2.572 2.303 2.781 . 0 0 "[ . 1 . 2]" 1
258 1 20 PHE HA 1 32 VAL MG1 . . 4.380 2.970 2.707 3.267 . 0 0 "[ . 1 . 2]" 1
259 1 20 PHE HB2 1 20 PHE QE . . 4.720 4.425 4.394 4.445 . 0 0 "[ . 1 . 2]" 1
260 1 20 PHE HB2 1 21 ILE H . . 4.090 3.694 3.568 3.911 . 0 0 "[ . 1 . 2]" 1
261 1 20 PHE HB3 1 20 PHE QE . . 4.520 4.395 4.362 4.422 . 0 0 "[ . 1 . 2]" 1
262 1 20 PHE HB3 1 21 ILE H . . 4.470 2.285 2.112 2.610 . 0 0 "[ . 1 . 2]" 1
263 1 20 PHE QD 1 21 ILE H . . 4.780 3.210 3.013 3.468 . 0 0 "[ . 1 . 2]" 1
264 1 20 PHE QD 1 29 ASP QB . . 4.230 2.863 2.257 3.523 . 0 0 "[ . 1 . 2]" 1
265 1 20 PHE QD 1 31 PHE HA . . 4.750 3.116 2.975 3.215 . 0 0 "[ . 1 . 2]" 1
266 1 20 PHE QE 1 29 ASP QB . . 4.620 2.907 2.173 3.552 . 0 0 "[ . 1 . 2]" 1
267 1 20 PHE QE 1 31 PHE QB . . 4.740 2.824 2.639 2.930 . 0 0 "[ . 1 . 2]" 1
268 1 21 ILE H 1 21 ILE HB . . 3.370 2.845 2.720 2.922 . 0 0 "[ . 1 . 2]" 1
269 1 21 ILE H 1 21 ILE HG12 . . 4.040 4.080 4.044 4.099 0.059 11 0 "[ . 1 . 2]" 1
270 1 21 ILE H 1 32 VAL HB . . 4.790 4.777 4.508 4.857 0.067 1 0 "[ . 1 . 2]" 1
271 1 21 ILE HA 1 21 ILE MD . . 4.670 3.894 3.881 3.908 . 0 0 "[ . 1 . 2]" 1
272 1 21 ILE HA 1 21 ILE HG12 . . 3.430 2.609 2.579 2.646 . 0 0 "[ . 1 . 2]" 1
273 1 21 ILE HA 1 21 ILE MG . . 3.720 2.393 2.358 2.417 . 0 0 "[ . 1 . 2]" 1
274 1 21 ILE HA 1 22 GLU H . . 2.940 2.241 2.170 2.338 . 0 0 "[ . 1 . 2]" 1
275 1 21 ILE HB 1 21 ILE MD . . 3.520 2.438 2.428 2.446 . 0 0 "[ . 1 . 2]" 1
276 1 21 ILE HB 1 22 GLU H . . 4.610 4.099 4.038 4.179 . 0 0 "[ . 1 . 2]" 1
277 1 21 ILE HB 1 51 VAL MG1 . . 4.030 4.084 4.045 4.123 0.093 9 0 "[ . 1 . 2]" 1
278 1 21 ILE MD 1 21 ILE MG . . 3.190 1.896 1.868 1.927 . 0 0 "[ . 1 . 2]" 1
279 1 21 ILE MD 1 32 VAL HB . . 3.720 2.156 2.024 2.267 . 0 0 "[ . 1 . 2]" 1
280 1 21 ILE MD 1 32 VAL MG1 . . 3.520 2.798 2.643 3.130 . 0 0 "[ . 1 . 2]" 1
281 1 21 ILE MD 1 32 VAL MG2 . . 3.080 2.411 2.237 2.567 . 0 0 "[ . 1 . 2]" 1
282 1 21 ILE MD 1 53 PHE QD . . 4.350 3.013 2.812 3.234 . 0 0 "[ . 1 . 2]" 1
283 1 21 ILE MD 1 53 PHE QE . . 4.670 3.374 3.076 3.850 . 0 0 "[ . 1 . 2]" 1
284 1 21 ILE MD 1 64 ALA MB . . 3.170 2.153 2.053 2.267 . 0 0 "[ . 1 . 2]" 1
285 1 21 ILE HG12 1 21 ILE MG . . 2.400 2.401 2.387 2.407 0.007 7 0 "[ . 1 . 2]" 1
286 1 21 ILE HG12 1 51 VAL MG1 . . 4.390 2.966 2.771 3.076 . 0 0 "[ . 1 . 2]" 1
287 1 21 ILE MG 1 22 GLU H . . 3.460 2.574 2.462 2.727 . 0 0 "[ . 1 . 2]" 1
288 1 21 ILE MG 1 51 VAL MG1 . . 4.020 2.104 2.034 2.161 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE MG 1 53 PHE QD . . 4.590 2.964 2.758 3.151 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE MG 1 53 PHE QE . . 3.670 2.046 1.958 2.176 . 0 0 "[ . 1 . 2]" 1
291 1 21 ILE MG 1 53 PHE HZ . . 4.200 3.281 3.119 3.462 . 0 0 "[ . 1 . 2]" 1
292 1 22 GLU H 1 22 GLU QG . . 3.880 2.511 2.341 2.656 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLU QB 1 23 GLN H . . 3.470 2.905 2.692 3.050 . 0 0 "[ . 1 . 2]" 1
294 1 22 GLU QB 1 26 GLY H . . 4.810 4.590 4.229 4.822 0.012 11 0 "[ . 1 . 2]" 1
295 1 22 GLU QB 1 27 GLY H . . 4.240 3.112 2.621 4.082 . 0 0 "[ . 1 . 2]" 1
296 1 22 GLU QG 1 23 GLN H . . 3.640 3.656 3.516 3.719 0.079 9 0 "[ . 1 . 2]" 1
297 1 22 GLU QG 1 26 GLY H . . 4.510 4.489 3.876 4.650 0.140 4 0 "[ . 1 . 2]" 1
298 1 23 GLN H 1 23 GLN HG2 . . 3.790 2.391 1.938 3.665 . 0 0 "[ . 1 . 2]" 1
299 1 23 GLN H 1 23 GLN HG3 . . 4.840 3.471 3.142 4.163 . 0 0 "[ . 1 . 2]" 1
300 1 23 GLN HA 1 23 GLN HG2 . . 4.430 3.742 3.638 3.823 . 0 0 "[ . 1 . 2]" 1
301 1 23 GLN HA 1 23 GLN HG3 . . 4.040 3.803 3.695 4.163 0.123 5 0 "[ . 1 . 2]" 1
302 1 23 GLN HA 1 24 ASP H . . 2.840 2.094 1.951 2.236 . 0 0 "[ . 1 . 2]" 1
303 1 23 GLN QB 1 24 ASP H . . 3.690 2.513 2.300 2.670 . 0 0 "[ . 1 . 2]" 1
304 1 23 GLN QB 1 25 ASN H . . 3.890 2.781 2.382 3.139 . 0 0 "[ . 1 . 2]" 1
305 1 23 GLN QB 1 27 GLY H . . 4.380 4.135 4.016 4.479 0.099 5 0 "[ . 1 . 2]" 1
306 1 23 GLN HE21 1 23 GLN HG2 . . 3.590 2.478 2.215 3.475 . 0 0 "[ . 1 . 2]" 1
307 1 23 GLN HE21 1 27 GLY HA3 . . 4.480 3.471 3.079 4.602 0.122 5 0 "[ . 1 . 2]" 1
308 1 23 GLN HE22 1 23 GLN HG2 . . 4.250 3.586 3.446 4.066 . 0 0 "[ . 1 . 2]" 1
309 1 23 GLN HE22 1 27 GLY HA3 . . 4.610 4.528 3.727 4.718 0.108 14 0 "[ . 1 . 2]" 1
310 1 23 GLN HG2 1 25 ASN H . . 3.800 3.729 1.811 3.957 0.157 9 0 "[ . 1 . 2]" 1
311 1 23 GLN HG3 1 24 ASP H . . 4.420 3.890 3.619 4.525 0.105 6 0 "[ . 1 . 2]" 1
312 1 24 ASP H 1 24 ASP HB2 . . 3.250 2.460 2.352 2.579 . 0 0 "[ . 1 . 2]" 1
313 1 24 ASP H 1 24 ASP HB3 . . 3.410 3.152 2.596 3.580 0.170 17 0 "[ . 1 . 2]" 1
314 1 24 ASP HB2 1 25 ASN H . . 3.840 3.459 2.914 3.985 0.145 9 0 "[ . 1 . 2]" 1
315 1 25 ASN H 1 25 ASN HA . . 3.140 2.870 2.778 2.907 . 0 0 "[ . 1 . 2]" 1
316 1 25 ASN H 1 25 ASN HD21 . . 4.280 3.426 2.423 4.423 0.143 12 0 "[ . 1 . 2]" 1
317 1 25 ASN H 1 25 ASN HD22 . . 4.490 4.111 3.591 4.554 0.064 12 0 "[ . 1 . 2]" 1
318 1 25 ASN H 1 26 GLY H . . 3.350 2.644 2.473 2.819 . 0 0 "[ . 1 . 2]" 1
319 1 25 ASN HA 1 26 GLY H . . 3.960 3.300 3.177 3.399 . 0 0 "[ . 1 . 2]" 1
320 1 26 GLY HA2 1 27 GLY H . . 3.940 2.654 2.561 2.743 . 0 0 "[ . 1 . 2]" 1
321 1 27 GLY HA2 1 28 LYS H . . 3.260 2.665 2.236 3.434 0.174 12 0 "[ . 1 . 2]" 1
322 1 27 GLY HA3 1 28 LYS H . . 3.300 2.553 2.113 2.960 . 0 0 "[ . 1 . 2]" 1
323 1 28 LYS H 1 28 LYS HB2 . . 3.590 2.725 2.408 3.593 0.003 3 0 "[ . 1 . 2]" 1
324 1 28 LYS H 1 28 LYS HB3 . . 4.000 3.442 2.575 3.755 . 0 0 "[ . 1 . 2]" 1
325 1 28 LYS H 1 28 LYS QG . . 3.460 2.358 1.886 3.017 . 0 0 "[ . 1 . 2]" 1
326 1 28 LYS HA 1 28 LYS QD . . 3.850 3.948 3.891 4.072 0.222 5 0 "[ . 1 . 2]" 1
327 1 28 LYS HA 1 29 ASP H . . 2.860 2.363 2.161 2.624 . 0 0 "[ . 1 . 2]" 1
328 1 28 LYS HB2 1 28 LYS QD . . 2.840 2.339 2.179 2.436 . 0 0 "[ . 1 . 2]" 1
329 1 28 LYS HB2 1 29 ASP H . . 3.720 3.352 2.008 3.806 0.086 6 0 "[ . 1 . 2]" 1
330 1 28 LYS HB3 1 28 LYS QD . . 2.400 2.293 2.163 2.400 . 0 0 "[ . 1 . 2]" 1
331 1 28 LYS HB3 1 28 LYS QE . . 4.750 3.994 3.854 4.185 . 0 0 "[ . 1 . 2]" 1
332 1 28 LYS HB3 1 28 LYS QG . . 2.660 2.347 2.298 2.373 . 0 0 "[ . 1 . 2]" 1
333 1 28 LYS HB3 1 29 ASP H . . 3.890 2.685 1.908 3.877 . 0 0 "[ . 1 . 2]" 1
334 1 29 ASP H 1 29 ASP QB . . 3.230 2.496 2.391 2.752 . 0 0 "[ . 1 . 2]" 1
335 1 29 ASP HA 1 30 VAL H . . 3.210 2.116 1.996 2.177 . 0 0 "[ . 1 . 2]" 1
336 1 29 ASP QB 1 30 VAL H . . 3.700 3.521 3.074 3.716 0.016 12 0 "[ . 1 . 2]" 1
337 1 30 VAL H 1 30 VAL HB . . 3.450 3.205 2.969 3.409 . 0 0 "[ . 1 . 2]" 1
338 1 30 VAL H 1 30 VAL MG1 . . 3.630 2.108 1.869 2.274 . 0 0 "[ . 1 . 2]" 1
339 1 30 VAL H 1 30 VAL MG2 . . 4.280 3.808 3.732 3.872 . 0 0 "[ . 1 . 2]" 1
340 1 30 VAL HA 1 30 VAL MG1 . . 3.520 3.229 3.216 3.242 . 0 0 "[ . 1 . 2]" 1
341 1 30 VAL HA 1 30 VAL MG2 . . 3.550 2.479 2.418 2.539 . 0 0 "[ . 1 . 2]" 1
342 1 30 VAL HA 1 31 PHE H . . 2.900 2.202 2.092 2.292 . 0 0 "[ . 1 . 2]" 1
343 1 30 VAL HA 1 62 ALA MB . . 4.400 2.750 2.260 3.464 . 0 0 "[ . 1 . 2]" 1
344 1 30 VAL HB 1 31 PHE H . . 4.650 4.109 4.005 4.239 . 0 0 "[ . 1 . 2]" 1
345 1 30 VAL HB 1 53 PHE QE . . 4.380 4.063 3.881 4.291 . 0 0 "[ . 1 . 2]" 1
346 1 30 VAL HB 1 55 LEU MD1 . . 3.360 3.280 3.042 3.395 0.035 6 0 "[ . 1 . 2]" 1
347 1 30 VAL HB 1 55 LEU MD2 . . 4.040 2.597 2.377 2.870 . 0 0 "[ . 1 . 2]" 1
348 1 30 VAL HB 1 62 ALA MB . . 2.990 2.808 2.230 3.053 0.063 10 0 "[ . 1 . 2]" 1
349 1 30 VAL MG1 1 30 VAL MG2 . . 2.490 1.996 1.964 2.023 . 0 0 "[ . 1 . 2]" 1
350 1 30 VAL MG1 1 31 PHE H . . 4.550 4.039 3.898 4.129 . 0 0 "[ . 1 . 2]" 1
351 1 30 VAL MG1 1 53 PHE QD . . 4.230 3.966 3.760 4.176 . 0 0 "[ . 1 . 2]" 1
352 1 30 VAL MG1 1 53 PHE QE . . 3.420 2.307 2.167 2.486 . 0 0 "[ . 1 . 2]" 1
353 1 30 VAL MG1 1 53 PHE HZ . . 3.920 2.243 2.158 2.374 . 0 0 "[ . 1 . 2]" 1
354 1 30 VAL MG1 1 55 LEU MD2 . . 2.620 2.726 2.680 2.775 0.155 20 0 "[ . 1 . 2]" 1
355 1 30 VAL MG1 1 64 ALA H . . 4.000 4.068 4.018 4.114 0.114 7 0 "[ . 1 . 2]" 1
356 1 30 VAL MG2 1 31 PHE H . . 3.620 2.571 2.389 2.755 . 0 0 "[ . 1 . 2]" 1
357 1 30 VAL MG2 1 53 PHE QE . . 3.740 2.765 2.528 3.097 . 0 0 "[ . 1 . 2]" 1
358 1 30 VAL MG2 1 55 LEU HA . . 4.170 3.973 3.705 4.174 0.004 16 0 "[ . 1 . 2]" 1
359 1 30 VAL MG2 1 55 LEU MD2 . . 2.660 2.439 2.245 2.676 0.016 2 0 "[ . 1 . 2]" 1
360 1 30 VAL MG2 1 62 ALA HA . . 4.270 3.706 3.549 3.949 . 0 0 "[ . 1 . 2]" 1
361 1 30 VAL MG2 1 62 ALA MB . . 3.810 2.383 2.184 2.663 . 0 0 "[ . 1 . 2]" 1
362 1 30 VAL MG2 1 63 TYR HA . . 3.730 2.325 2.145 2.557 . 0 0 "[ . 1 . 2]" 1
363 1 30 VAL MG2 1 64 ALA H . . 2.940 2.265 2.144 2.383 . 0 0 "[ . 1 . 2]" 1
364 1 30 VAL MG2 1 64 ALA HA . . 3.430 2.965 2.870 3.059 . 0 0 "[ . 1 . 2]" 1
365 1 30 VAL MG2 1 65 VAL H . . 4.620 4.673 4.571 4.723 0.103 2 0 "[ . 1 . 2]" 1
366 1 31 PHE H 1 31 PHE QB . . 3.030 2.810 2.711 2.923 . 0 0 "[ . 1 . 2]" 1
367 1 31 PHE H 1 31 PHE QD . . 4.470 2.574 2.334 2.918 . 0 0 "[ . 1 . 2]" 1
368 1 31 PHE H 1 62 ALA MB . . 4.370 3.711 3.414 4.075 . 0 0 "[ . 1 . 2]" 1
369 1 31 PHE H 1 63 TYR HA . . 4.130 2.832 2.455 3.088 . 0 0 "[ . 1 . 2]" 1
370 1 31 PHE HA 1 32 VAL H . . 3.190 2.176 2.088 2.227 . 0 0 "[ . 1 . 2]" 1
371 1 31 PHE HA 1 64 ALA H . . 4.720 4.637 4.501 4.724 0.004 17 0 "[ . 1 . 2]" 1
372 1 31 PHE QB 1 31 PHE QE . . 4.230 3.909 3.890 3.924 . 0 0 "[ . 1 . 2]" 1
373 1 31 PHE QB 1 32 VAL H . . 4.330 2.664 2.520 2.859 . 0 0 "[ . 1 . 2]" 1
374 1 31 PHE QB 1 63 TYR HA . . 4.370 4.429 4.385 4.503 0.133 6 0 "[ . 1 . 2]" 1
375 1 31 PHE QD 1 32 VAL H . . 4.770 3.736 3.412 4.058 . 0 0 "[ . 1 . 2]" 1
376 1 31 PHE QD 1 63 TYR HB2 . . 4.060 3.627 3.175 4.051 . 0 0 "[ . 1 . 2]" 1
377 1 31 PHE QD 1 63 TYR HB3 . . 4.580 3.463 3.157 3.802 . 0 0 "[ . 1 . 2]" 1
378 1 32 VAL H 1 32 VAL HB . . 4.240 2.972 2.885 3.067 . 0 0 "[ . 1 . 2]" 1
379 1 32 VAL H 1 32 VAL MG1 . . 3.570 2.081 2.013 2.137 . 0 0 "[ . 1 . 2]" 1
380 1 32 VAL H 1 32 VAL MG2 . . 4.220 3.857 3.827 3.900 . 0 0 "[ . 1 . 2]" 1
381 1 32 VAL HA 1 33 HIS H . . 3.130 2.119 2.048 2.222 . 0 0 "[ . 1 . 2]" 1
382 1 32 VAL HA 1 64 ALA H . . 3.740 2.671 2.338 2.855 . 0 0 "[ . 1 . 2]" 1
383 1 32 VAL HA 1 64 ALA MB . . 4.040 2.378 2.159 2.642 . 0 0 "[ . 1 . 2]" 1
384 1 32 VAL HA 1 67 LEU MD2 . . 4.350 4.362 4.191 4.403 0.053 12 0 "[ . 1 . 2]" 1
385 1 32 VAL HB 1 33 HIS H . . 4.370 4.119 3.986 4.233 . 0 0 "[ . 1 . 2]" 1
386 1 32 VAL HB 1 64 ALA MB . . 3.390 2.513 2.324 2.826 . 0 0 "[ . 1 . 2]" 1
387 1 32 VAL HB 1 67 LEU MD2 . . 3.800 3.758 3.659 3.837 0.037 1 0 "[ . 1 . 2]" 1
388 1 32 VAL MG1 1 32 VAL MG2 . . 2.810 2.066 2.038 2.088 . 0 0 "[ . 1 . 2]" 1
389 1 32 VAL MG2 1 33 HIS H . . 3.660 2.573 2.225 2.872 . 0 0 "[ . 1 . 2]" 1
390 1 32 VAL MG2 1 36 ALA MB . . 3.320 2.577 2.292 3.093 . 0 0 "[ . 1 . 2]" 1
391 1 32 VAL MG2 1 37 VAL H . . 4.390 4.197 3.833 4.411 0.021 3 0 "[ . 1 . 2]" 1
392 1 32 VAL MG2 1 37 VAL QG . . 3.860 3.360 2.905 3.663 . 0 0 "[ . 1 . 2]" 1
393 1 32 VAL MG2 1 45 LEU MD1 . . 3.200 2.444 2.072 3.194 . 0 0 "[ . 1 . 2]" 1
394 1 32 VAL MG2 1 67 LEU HG . . 3.220 3.287 3.252 3.330 0.110 3 0 "[ . 1 . 2]" 1
395 1 33 HIS H 1 33 HIS QB . . 3.230 2.463 2.340 2.595 . 0 0 "[ . 1 . 2]" 1
396 1 33 HIS H 1 36 ALA MB . . 4.210 3.217 2.821 3.880 . 0 0 "[ . 1 . 2]" 1
397 1 33 HIS HA 1 33 HIS HE1 . . 4.470 4.569 4.552 4.599 0.129 19 0 "[ . 1 . 2]" 1
398 1 33 HIS QB 1 33 HIS HE1 . . 4.540 4.497 4.455 4.549 0.009 12 0 "[ . 1 . 2]" 1
399 1 33 HIS QB 1 34 LYS H . . 4.040 3.453 3.344 3.580 . 0 0 "[ . 1 . 2]" 1
400 1 33 HIS QB 1 35 SER H . . 3.920 3.293 3.014 3.651 . 0 0 "[ . 1 . 2]" 1
401 1 33 HIS QB 1 36 ALA H . . 3.720 3.667 3.354 3.749 0.029 12 0 "[ . 1 . 2]" 1
402 1 33 HIS HD2 1 34 LYS H . . 4.010 4.086 4.024 4.127 0.117 15 0 "[ . 1 . 2]" 1
403 1 33 HIS HD2 1 35 SER H . . 4.750 2.582 2.178 2.945 . 0 0 "[ . 1 . 2]" 1
404 1 33 HIS HE1 1 35 SER H . . 4.410 4.533 4.496 4.573 0.163 11 0 "[ . 1 . 2]" 1
405 1 34 LYS H 1 34 LYS HB2 . . 3.430 2.623 2.341 2.765 . 0 0 "[ . 1 . 2]" 1
406 1 34 LYS H 1 34 LYS HB3 . . 3.450 2.544 2.392 2.715 . 0 0 "[ . 1 . 2]" 1
407 1 34 LYS H 1 35 SER H . . 4.040 2.720 2.540 2.915 . 0 0 "[ . 1 . 2]" 1
408 1 34 LYS HA 1 34 LYS HD2 . . 4.410 4.129 3.947 4.529 0.119 6 0 "[ . 1 . 2]" 1
409 1 34 LYS HA 1 34 LYS HD3 . . 4.580 4.556 4.049 4.628 0.048 18 0 "[ . 1 . 2]" 1
410 1 34 LYS HA 1 34 LYS HG2 . . 4.380 3.255 2.871 3.438 . 0 0 "[ . 1 . 2]" 1
411 1 34 LYS HA 1 34 LYS HG3 . . 3.810 2.528 2.356 2.613 . 0 0 "[ . 1 . 2]" 1
412 1 34 LYS HA 1 35 SER H . . 4.420 3.415 3.330 3.495 . 0 0 "[ . 1 . 2]" 1
413 1 34 LYS HA 1 37 VAL H . . 4.020 2.714 2.516 2.999 . 0 0 "[ . 1 . 2]" 1
414 1 34 LYS HA 1 37 VAL HB . . 3.620 2.896 2.622 3.567 . 0 0 "[ . 1 . 2]" 1
415 1 34 LYS HA 1 37 VAL QG . . 3.730 2.474 2.233 2.845 . 0 0 "[ . 1 . 2]" 1
416 1 34 LYS HA 1 38 ASP H . . 4.340 3.978 3.823 4.265 . 0 0 "[ . 1 . 2]" 1
417 1 34 LYS HB2 1 34 LYS HD3 . . 3.560 2.756 2.211 2.907 . 0 0 "[ . 1 . 2]" 1
418 1 34 LYS HB2 1 35 SER H . . 4.500 4.255 4.044 4.408 . 0 0 "[ . 1 . 2]" 1
419 1 34 LYS HB3 1 34 LYS HD3 . . 2.790 2.535 2.442 2.833 0.043 6 0 "[ . 1 . 2]" 1
420 1 34 LYS HB3 1 35 SER H . . 3.830 3.240 3.067 3.498 . 0 0 "[ . 1 . 2]" 1
421 1 34 LYS HD2 1 34 LYS HG3 . . 2.990 2.282 2.207 2.338 . 0 0 "[ . 1 . 2]" 1
422 1 34 LYS HD2 1 37 VAL HB . . 4.140 4.245 4.197 4.321 0.181 19 0 "[ . 1 . 2]" 1
423 1 34 LYS HD3 1 34 LYS HG2 . . 2.990 2.527 2.429 2.963 . 0 0 "[ . 1 . 2]" 1
424 1 34 LYS HD3 1 34 LYS HG3 . . 2.950 2.932 2.432 2.994 0.044 1 0 "[ . 1 . 2]" 1
425 1 34 LYS HG2 1 37 VAL QG . . 4.120 3.681 3.274 4.139 0.019 19 0 "[ . 1 . 2]" 1
426 1 34 LYS HG2 1 38 ASP H . . 4.610 3.551 3.333 3.868 . 0 0 "[ . 1 . 2]" 1
427 1 35 SER H 1 36 ALA H . . 3.500 2.794 2.674 2.875 . 0 0 "[ . 1 . 2]" 1
428 1 35 SER HA 1 35 SER QB . . 2.680 2.359 2.330 2.401 . 0 0 "[ . 1 . 2]" 1
429 1 35 SER HA 1 36 ALA H . . 4.160 3.487 3.450 3.519 . 0 0 "[ . 1 . 2]" 1
430 1 35 SER HA 1 37 VAL H . . 4.810 4.313 4.143 4.401 . 0 0 "[ . 1 . 2]" 1
431 1 35 SER HA 1 38 ASP QB . . 3.780 2.167 1.924 2.586 . 0 0 "[ . 1 . 2]" 1
432 1 35 SER HA 1 39 ALA H . . 4.060 4.089 3.867 4.143 0.083 13 0 "[ . 1 . 2]" 1
433 1 35 SER QB 1 36 ALA H . . 4.120 2.926 2.765 3.024 . 0 0 "[ . 1 . 2]" 1
434 1 36 ALA H 1 36 ALA MB . . 2.980 2.205 2.154 2.229 . 0 0 "[ . 1 . 2]" 1
435 1 36 ALA H 1 37 VAL H . . 3.040 2.441 2.348 2.571 . 0 0 "[ . 1 . 2]" 1
436 1 36 ALA H 1 65 VAL HA . . 4.700 4.272 3.927 4.580 . 0 0 "[ . 1 . 2]" 1
437 1 36 ALA HA 1 37 VAL H . . 4.140 3.521 3.492 3.553 . 0 0 "[ . 1 . 2]" 1
438 1 36 ALA HA 1 39 ALA H . . 3.660 3.166 3.013 3.313 . 0 0 "[ . 1 . 2]" 1
439 1 36 ALA HA 1 39 ALA MB . . 3.590 2.524 2.255 2.665 . 0 0 "[ . 1 . 2]" 1
440 1 36 ALA MB 1 37 VAL H . . 3.680 2.479 2.342 2.572 . 0 0 "[ . 1 . 2]" 1
441 1 36 ALA MB 1 38 ASP H . . 4.710 4.381 4.155 4.582 . 0 0 "[ . 1 . 2]" 1
442 1 36 ALA MB 1 39 ALA H . . 4.110 4.278 4.220 4.313 0.203 1 0 "[ . 1 . 2]" 1
443 1 36 ALA MB 1 65 VAL HA . . 3.440 1.842 1.770 1.968 . 0 0 "[ . 1 . 2]" 1
444 1 36 ALA MB 1 65 VAL MG1 . . 3.760 2.792 2.078 3.129 . 0 0 "[ . 1 . 2]" 1
445 1 36 ALA MB 1 66 ASN H . . 4.250 2.747 2.449 2.970 . 0 0 "[ . 1 . 2]" 1
446 1 36 ALA MB 1 67 LEU H . . 4.210 2.902 2.645 3.226 . 0 0 "[ . 1 . 2]" 1
447 1 36 ALA MB 1 67 LEU MD1 . . 3.570 2.700 2.535 2.922 . 0 0 "[ . 1 . 2]" 1
448 1 36 ALA MB 1 67 LEU MD2 . . 4.310 2.671 2.303 3.223 . 0 0 "[ . 1 . 2]" 1
449 1 37 VAL H 1 37 VAL HB . . 3.240 2.598 2.531 2.664 . 0 0 "[ . 1 . 2]" 1
450 1 37 VAL H 1 37 VAL QG . . 3.060 2.239 2.159 2.328 . 0 0 "[ . 1 . 2]" 1
451 1 37 VAL H 1 38 ASP H . . 3.220 2.506 2.361 2.658 . 0 0 "[ . 1 . 2]" 1
452 1 37 VAL H 1 67 LEU MD1 . . 4.190 3.932 3.662 4.189 . 0 0 "[ . 1 . 2]" 1
453 1 37 VAL HA 1 37 VAL QG . . 3.230 2.150 2.131 2.167 . 0 0 "[ . 1 . 2]" 1
454 1 37 VAL HA 1 38 ASP H . . 4.190 3.484 3.448 3.527 . 0 0 "[ . 1 . 2]" 1
455 1 37 VAL HA 1 40 ALA H . . 4.450 3.597 3.366 3.926 . 0 0 "[ . 1 . 2]" 1
456 1 37 VAL HA 1 40 ALA MB . . 4.020 3.908 3.338 4.085 0.065 19 0 "[ . 1 . 2]" 1
457 1 37 VAL HA 1 42 LEU HB2 . . 4.130 2.621 2.305 3.508 . 0 0 "[ . 1 . 2]" 1
458 1 37 VAL HA 1 42 LEU MD2 . . 4.320 4.248 3.473 4.407 0.087 7 0 "[ . 1 . 2]" 1
459 1 37 VAL HA 1 67 LEU MD1 . . 3.700 3.536 2.948 3.768 0.068 10 0 "[ . 1 . 2]" 1
460 1 37 VAL HB 1 38 ASP H . . 3.180 2.564 2.381 2.850 . 0 0 "[ . 1 . 2]" 1
461 1 37 VAL QG 1 38 ASP H . . 3.640 3.152 3.020 3.336 . 0 0 "[ . 1 . 2]" 1
462 1 37 VAL QG 1 41 GLY HA2 . . 3.980 2.797 2.739 2.883 . 0 0 "[ . 1 . 2]" 1
463 1 37 VAL QG 1 42 LEU H . . 4.390 2.178 1.886 2.422 . 0 0 "[ . 1 . 2]" 1
464 1 37 VAL QG 1 42 LEU HB2 . . 3.470 2.739 2.426 3.182 . 0 0 "[ . 1 . 2]" 1
465 1 37 VAL QG 1 42 LEU HB3 . . 3.930 1.890 1.730 2.112 . 0 0 "[ . 1 . 2]" 1
466 1 37 VAL QG 1 42 LEU MD1 . . 3.790 3.227 2.492 3.930 0.140 9 0 "[ . 1 . 2]" 1
467 1 37 VAL QG 1 43 HIS HA . . 4.670 4.353 3.958 4.715 0.045 7 0 "[ . 1 . 2]" 1
468 1 37 VAL QG 1 44 SER H . . 4.450 4.491 4.359 4.553 0.103 12 0 "[ . 1 . 2]" 1
469 1 37 VAL QG 1 45 LEU H . . 4.810 4.572 3.970 4.904 0.094 9 0 "[ . 1 . 2]" 1
470 1 37 VAL QG 1 45 LEU MD1 . . 2.960 2.569 2.122 3.013 0.053 12 0 "[ . 1 . 2]" 1
471 1 37 VAL QG 1 45 LEU HG . . 3.880 3.127 2.626 3.919 0.039 13 0 "[ . 1 . 2]" 1
472 1 37 VAL QG 1 67 LEU MD1 . . 3.250 2.580 2.345 2.961 . 0 0 "[ . 1 . 2]" 1
473 1 38 ASP H 1 38 ASP QB . . 3.060 2.291 2.190 2.533 . 0 0 "[ . 1 . 2]" 1
474 1 38 ASP H 1 39 ALA H . . 3.410 2.663 2.507 2.762 . 0 0 "[ . 1 . 2]" 1
475 1 38 ASP H 1 40 ALA H . . 4.300 4.315 4.208 4.367 0.067 1 0 "[ . 1 . 2]" 1
476 1 38 ASP HA 1 39 ALA H . . 4.290 3.489 3.427 3.538 . 0 0 "[ . 1 . 2]" 1
477 1 38 ASP QB 1 39 ALA H . . 3.160 2.831 2.644 3.102 . 0 0 "[ . 1 . 2]" 1
478 1 39 ALA H 1 39 ALA MB . . 2.880 2.243 2.217 2.297 . 0 0 "[ . 1 . 2]" 1
479 1 39 ALA H 1 40 ALA H . . 3.200 2.673 2.480 2.799 . 0 0 "[ . 1 . 2]" 1
480 1 39 ALA HA 1 40 ALA H . . 4.390 3.496 3.435 3.565 . 0 0 "[ . 1 . 2]" 1
481 1 39 ALA MB 1 40 ALA H . . 3.060 2.774 2.426 3.069 0.009 13 0 "[ . 1 . 2]" 1
482 1 40 ALA H 1 40 ALA MB . . 3.230 2.513 2.316 2.600 . 0 0 "[ . 1 . 2]" 1
483 1 40 ALA H 1 41 GLY H . . 3.520 1.953 1.798 2.362 . 0 0 "[ . 1 . 2]" 1
484 1 40 ALA HA 1 41 GLY H . . 4.210 3.343 3.226 3.449 . 0 0 "[ . 1 . 2]" 1
485 1 40 ALA MB 1 41 GLY H . . 4.020 3.116 2.914 3.314 . 0 0 "[ . 1 . 2]" 1
486 1 41 GLY H 1 42 LEU H . . 3.340 2.633 2.382 2.809 . 0 0 "[ . 1 . 2]" 1
487 1 41 GLY HA2 1 42 LEU H . . 4.490 2.508 2.389 2.686 . 0 0 "[ . 1 . 2]" 1
488 1 41 GLY HA3 1 42 LEU H . . 4.340 3.499 3.440 3.532 . 0 0 "[ . 1 . 2]" 1
489 1 42 LEU H 1 42 LEU HB2 . . 3.180 2.228 2.040 2.671 . 0 0 "[ . 1 . 2]" 1
490 1 42 LEU H 1 42 LEU HB3 . . 3.460 2.624 2.268 2.916 . 0 0 "[ . 1 . 2]" 1
491 1 42 LEU H 1 42 LEU MD1 . . 4.600 4.233 4.105 4.279 . 0 0 "[ . 1 . 2]" 1
492 1 42 LEU H 1 42 LEU MD2 . . 4.470 3.820 3.478 4.190 . 0 0 "[ . 1 . 2]" 1
493 1 42 LEU H 1 42 LEU HG . . 4.370 4.406 4.294 4.433 0.063 6 0 "[ . 1 . 2]" 1
494 1 42 LEU HA 1 42 LEU MD1 . . 3.230 2.627 2.072 2.965 . 0 0 "[ . 1 . 2]" 1
495 1 42 LEU HA 1 42 LEU MD2 . . 4.070 2.266 1.995 3.873 . 0 0 "[ . 1 . 2]" 1
496 1 42 LEU HA 1 42 LEU HG . . 3.720 3.717 3.248 3.801 0.081 11 0 "[ . 1 . 2]" 1
497 1 42 LEU HA 1 43 HIS H . . 4.630 2.251 2.120 2.371 . 0 0 "[ . 1 . 2]" 1
498 1 42 LEU HB2 1 42 LEU MD2 . . 3.370 2.312 2.220 2.370 . 0 0 "[ . 1 . 2]" 1
499 1 42 LEU HB2 1 42 LEU HG . . 2.810 2.430 2.324 2.944 0.134 9 0 "[ . 1 . 2]" 1
500 1 42 LEU HB3 1 42 LEU MD1 . . 3.440 2.489 2.363 3.208 . 0 0 "[ . 1 . 2]" 1
501 1 42 LEU HB3 1 42 LEU HG . . 2.570 2.384 2.354 2.439 . 0 0 "[ . 1 . 2]" 1
502 1 42 LEU HB3 1 67 LEU MD1 . . 3.970 3.700 3.404 3.924 . 0 0 "[ . 1 . 2]" 1
503 1 42 LEU MD1 1 42 LEU MD2 . . 2.510 2.085 2.007 2.102 . 0 0 "[ . 1 . 2]" 1
504 1 42 LEU MD1 1 44 SER H . . 4.630 2.134 1.847 2.468 . 0 0 "[ . 1 . 2]" 1
505 1 42 LEU MD1 1 45 LEU H . . 4.540 4.185 3.478 4.707 0.167 13 0 "[ . 1 . 2]" 1
506 1 42 LEU MD1 1 67 LEU HB2 . . 4.600 4.387 3.933 4.646 0.046 1 0 "[ . 1 . 2]" 1
507 1 42 LEU MD2 1 67 LEU HB2 . . 4.000 2.643 2.155 3.111 . 0 0 "[ . 1 . 2]" 1
508 1 42 LEU MD2 1 67 LEU HB3 . . 4.160 2.917 2.230 3.490 . 0 0 "[ . 1 . 2]" 1
509 1 43 HIS HA 1 44 SER H . . 4.570 3.564 3.278 3.617 . 0 0 "[ . 1 . 2]" 1
510 1 43 HIS QB 1 44 SER H . . 4.240 2.481 2.126 3.407 . 0 0 "[ . 1 . 2]" 1
511 1 44 SER H 1 44 SER HB2 . . 4.290 3.535 2.493 4.001 . 0 0 "[ . 1 . 2]" 1
512 1 44 SER HA 1 44 SER HB3 . . 3.010 2.522 2.372 3.039 0.029 13 0 "[ . 1 . 2]" 1
513 1 44 SER HA 1 45 LEU H . . 3.430 2.320 2.107 2.497 . 0 0 "[ . 1 . 2]" 1
514 1 44 SER HB2 1 45 LEU H . . 3.840 3.284 2.474 4.028 0.188 9 0 "[ . 1 . 2]" 1
515 1 44 SER HB3 1 45 LEU H . . 3.940 3.506 2.560 3.980 0.040 10 0 "[ . 1 . 2]" 1
516 1 45 LEU H 1 45 LEU HB3 . . 4.010 3.775 3.680 3.876 . 0 0 "[ . 1 . 2]" 1
517 1 45 LEU HA 1 45 LEU MD1 . . 4.040 3.857 3.297 3.913 . 0 0 "[ . 1 . 2]" 1
518 1 45 LEU HA 1 45 LEU MD2 . . 3.300 2.200 2.069 3.434 0.134 13 0 "[ . 1 . 2]" 1
519 1 45 LEU HA 1 46 GLU H . . 2.920 2.137 1.885 2.333 . 0 0 "[ . 1 . 2]" 1
520 1 45 LEU HB2 1 46 GLU H . . 3.720 3.781 3.502 3.925 0.205 9 0 "[ . 1 . 2]" 1
521 1 45 LEU HB3 1 45 LEU MD2 . . 3.340 2.299 2.061 2.354 . 0 0 "[ . 1 . 2]" 1
522 1 45 LEU HB3 1 46 GLU H . . 4.250 2.767 2.283 3.156 . 0 0 "[ . 1 . 2]" 1
523 1 45 LEU MD1 1 45 LEU MD2 . . 2.990 2.075 2.061 2.114 . 0 0 "[ . 1 . 2]" 1
524 1 46 GLU H 1 46 GLU HB2 . . 3.940 3.920 3.844 3.979 0.039 1 0 "[ . 1 . 2]" 1
525 1 46 GLU H 1 46 GLU HB3 . . 3.590 3.493 3.386 3.584 . 0 0 "[ . 1 . 2]" 1
526 1 46 GLU H 1 46 GLU QG . . 3.540 2.815 2.399 3.372 . 0 0 "[ . 1 . 2]" 1
527 1 46 GLU H 1 49 GLN HG3 . . 4.410 2.866 2.178 3.546 . 0 0 "[ . 1 . 2]" 1
528 1 46 GLU HA 1 47 GLU H . . 2.820 2.417 2.257 2.610 . 0 0 "[ . 1 . 2]" 1
529 1 46 GLU HB2 1 47 GLU H . . 3.160 2.516 2.151 2.860 . 0 0 "[ . 1 . 2]" 1
530 1 46 GLU HB3 1 47 GLU H . . 4.330 3.791 3.590 4.025 . 0 0 "[ . 1 . 2]" 1
531 1 47 GLU H 1 47 GLU HB2 . . 3.690 3.325 2.027 3.672 . 0 0 "[ . 1 . 2]" 1
532 1 47 GLU H 1 47 GLU HB3 . . 3.680 2.692 2.370 2.920 . 0 0 "[ . 1 . 2]" 1
533 1 47 GLU H 1 47 GLU HG2 . . 4.000 3.272 2.738 4.072 0.072 19 0 "[ . 1 . 2]" 1
534 1 47 GLU H 1 47 GLU HG3 . . 3.990 3.833 3.679 4.144 0.154 20 0 "[ . 1 . 2]" 1
535 1 47 GLU HA 1 48 GLY H . . 2.850 2.200 2.077 2.313 . 0 0 "[ . 1 . 2]" 1
536 1 47 GLU HB2 1 47 GLU HG2 . . 3.120 2.480 2.407 2.554 . 0 0 "[ . 1 . 2]" 1
537 1 47 GLU HB2 1 47 GLU HG3 . . 3.120 2.292 2.200 2.378 . 0 0 "[ . 1 . 2]" 1
538 1 47 GLU HB3 1 47 GLU HG3 . . 3.100 2.467 2.391 2.545 . 0 0 "[ . 1 . 2]" 1
539 1 47 GLU HB3 1 48 GLY H . . 3.900 3.730 3.562 3.973 0.073 1 0 "[ . 1 . 2]" 1
540 1 47 GLU HG2 1 48 GLY H . . 4.140 3.811 3.157 4.141 0.001 3 0 "[ . 1 . 2]" 1
541 1 47 GLU HG3 1 48 GLY H . . 4.520 4.594 4.545 4.657 0.137 9 0 "[ . 1 . 2]" 1
542 1 48 GLY H 1 48 GLY HA3 . . 3.110 2.935 2.897 2.968 . 0 0 "[ . 1 . 2]" 1
543 1 48 GLY H 1 49 GLN H . . 3.370 2.658 2.450 2.914 . 0 0 "[ . 1 . 2]" 1
544 1 48 GLY HA2 1 49 GLN H . . 4.070 3.413 3.217 3.507 . 0 0 "[ . 1 . 2]" 1
545 1 48 GLY HA3 1 49 GLN H . . 3.940 3.111 2.921 3.290 . 0 0 "[ . 1 . 2]" 1
546 1 49 GLN H 1 49 GLN HB2 . . 3.390 2.256 2.199 2.321 . 0 0 "[ . 1 . 2]" 1
547 1 49 GLN H 1 49 GLN HB3 . . 3.480 3.520 3.502 3.535 0.055 17 0 "[ . 1 . 2]" 1
548 1 49 GLN H 1 49 GLN HE21 . . 4.410 4.280 4.174 4.410 0.000 11 0 "[ . 1 . 2]" 1
549 1 49 GLN H 1 49 GLN HG2 . . 4.030 2.683 2.485 2.990 . 0 0 "[ . 1 . 2]" 1
550 1 49 GLN H 1 49 GLN HG3 . . 4.070 3.605 3.464 3.844 . 0 0 "[ . 1 . 2]" 1
551 1 49 GLN HA 1 49 GLN HG2 . . 4.120 2.525 2.451 2.584 . 0 0 "[ . 1 . 2]" 1
552 1 49 GLN HA 1 49 GLN HG3 . . 4.030 3.702 3.622 3.738 . 0 0 "[ . 1 . 2]" 1
553 1 49 GLN HA 1 50 ASP H . . 2.780 2.131 2.069 2.192 . 0 0 "[ . 1 . 2]" 1
554 1 49 GLN HB2 1 50 ASP H . . 4.500 4.252 4.113 4.446 . 0 0 "[ . 1 . 2]" 1
555 1 49 GLN HB3 1 50 ASP H . . 4.140 3.278 3.040 3.576 . 0 0 "[ . 1 . 2]" 1
556 1 49 GLN HE21 1 50 ASP H . . 4.680 2.485 2.286 2.781 . 0 0 "[ . 1 . 2]" 1
557 1 49 GLN HE21 1 69 ILE MG . . 4.690 4.097 2.699 4.674 . 0 0 "[ . 1 . 2]" 1
558 1 49 GLN HE22 1 49 GLN HG2 . . 3.730 3.735 3.684 3.769 0.039 20 0 "[ . 1 . 2]" 1
559 1 49 GLN HE22 1 69 ILE HB . . 4.560 4.258 3.187 4.643 0.083 14 0 "[ . 1 . 2]" 1
560 1 49 GLN HE22 1 69 ILE MG . . 4.400 4.005 2.120 4.492 0.092 13 0 "[ . 1 . 2]" 1
561 1 49 GLN HG2 1 50 ASP H . . 4.470 4.554 4.497 4.597 0.127 15 0 "[ . 1 . 2]" 1
562 1 50 ASP H 1 50 ASP HB2 . . 3.310 2.486 2.351 2.576 . 0 0 "[ . 1 . 2]" 1
563 1 50 ASP H 1 50 ASP HB3 . . 3.750 3.658 3.578 3.737 . 0 0 "[ . 1 . 2]" 1
564 1 50 ASP H 1 70 LYS HB2 . . 4.630 4.535 3.402 4.731 0.101 10 0 "[ . 1 . 2]" 1
565 1 50 ASP HA 1 51 VAL H . . 2.890 2.160 2.082 2.232 . 0 0 "[ . 1 . 2]" 1
566 1 50 ASP HB2 1 51 VAL H . . 4.490 4.067 3.950 4.208 . 0 0 "[ . 1 . 2]" 1
567 1 50 ASP HB2 1 70 LYS H . . 4.570 3.852 3.381 4.158 . 0 0 "[ . 1 . 2]" 1
568 1 50 ASP HB2 1 70 LYS HB2 . . 4.220 2.640 1.848 3.085 . 0 0 "[ . 1 . 2]" 1
569 1 50 ASP HB3 1 51 VAL H . . 3.970 3.025 2.830 3.293 . 0 0 "[ . 1 . 2]" 1
570 1 50 ASP HB3 1 70 LYS H . . 4.690 4.325 3.928 4.693 0.003 11 0 "[ . 1 . 2]" 1
571 1 50 ASP HB3 1 70 LYS HB2 . . 4.280 2.774 2.249 3.502 . 0 0 "[ . 1 . 2]" 1
572 1 51 VAL H 1 51 VAL HB . . 4.270 3.141 3.006 3.215 . 0 0 "[ . 1 . 2]" 1
573 1 51 VAL H 1 51 VAL MG1 . . 4.570 2.347 2.283 2.484 . 0 0 "[ . 1 . 2]" 1
574 1 51 VAL HA 1 51 VAL MG1 . . 3.660 3.245 3.224 3.273 . 0 0 "[ . 1 . 2]" 1
575 1 51 VAL HA 1 52 ILE H . . 2.840 2.151 2.036 2.225 . 0 0 "[ . 1 . 2]" 1
576 1 51 VAL HA 1 69 ILE HA . . 3.600 2.351 1.964 2.673 . 0 0 "[ . 1 . 2]" 1
577 1 51 VAL HA 1 70 LYS H . . 3.540 2.511 2.229 2.820 . 0 0 "[ . 1 . 2]" 1
578 1 51 VAL HB 1 52 ILE H . . 3.780 3.859 3.827 3.885 0.105 6 0 "[ . 1 . 2]" 1
579 1 51 VAL MG1 1 51 VAL MG2 . . 2.470 2.128 2.102 2.161 . 0 0 "[ . 1 . 2]" 1
580 1 51 VAL MG1 1 52 ILE H . . 3.570 3.609 3.521 3.658 0.088 10 0 "[ . 1 . 2]" 1
581 1 51 VAL MG2 1 69 ILE HA . . 4.580 2.514 2.323 2.949 . 0 0 "[ . 1 . 2]" 1
582 1 51 VAL MG2 1 70 LYS H . . 3.840 3.948 3.908 3.981 0.141 20 0 "[ . 1 . 2]" 1
583 1 52 ILE H 1 52 ILE HB . . 3.210 2.554 2.471 2.697 . 0 0 "[ . 1 . 2]" 1
584 1 52 ILE H 1 52 ILE MD . . 4.650 3.757 3.609 3.885 . 0 0 "[ . 1 . 2]" 1
585 1 52 ILE H 1 52 ILE HG12 . . 4.370 3.811 3.656 4.001 . 0 0 "[ . 1 . 2]" 1
586 1 52 ILE H 1 52 ILE HG13 . . 4.120 2.562 2.390 2.719 . 0 0 "[ . 1 . 2]" 1
587 1 52 ILE H 1 68 ARG H . . 3.440 2.873 2.662 3.075 . 0 0 "[ . 1 . 2]" 1
588 1 52 ILE H 1 68 ARG HB3 . . 4.040 3.754 3.367 4.205 0.165 6 0 "[ . 1 . 2]" 1
589 1 52 ILE H 1 69 ILE HA . . 4.020 3.189 2.818 3.634 . 0 0 "[ . 1 . 2]" 1
590 1 52 ILE HA 1 52 ILE MD . . 4.370 3.901 3.864 3.935 . 0 0 "[ . 1 . 2]" 1
591 1 52 ILE HA 1 52 ILE HG12 . . 4.220 2.657 2.584 2.733 . 0 0 "[ . 1 . 2]" 1
592 1 52 ILE HA 1 52 ILE HG13 . . 4.220 3.031 2.898 3.144 . 0 0 "[ . 1 . 2]" 1
593 1 52 ILE HA 1 52 ILE MG . . 3.470 2.382 2.331 2.428 . 0 0 "[ . 1 . 2]" 1
594 1 52 ILE HA 1 53 PHE H . . 2.830 2.233 2.196 2.282 . 0 0 "[ . 1 . 2]" 1
595 1 52 ILE HB 1 52 ILE MD . . 3.110 2.391 2.357 2.426 . 0 0 "[ . 1 . 2]" 1
596 1 52 ILE HB 1 52 ILE HG13 . . 2.820 2.506 2.483 2.548 . 0 0 "[ . 1 . 2]" 1
597 1 52 ILE HB 1 68 ARG H . . 3.750 3.388 3.163 3.650 . 0 0 "[ . 1 . 2]" 1
598 1 52 ILE HB 1 68 ARG HB2 . . 4.500 3.081 1.774 3.948 . 0 0 "[ . 1 . 2]" 1
599 1 52 ILE HB 1 68 ARG HB3 . . 3.680 2.352 1.862 3.210 . 0 0 "[ . 1 . 2]" 1
600 1 52 ILE MD 1 52 ILE MG . . 2.400 2.021 1.963 2.121 . 0 0 "[ . 1 . 2]" 1
601 1 52 ILE MD 1 68 ARG HB2 . . 4.400 4.106 3.044 4.467 0.067 9 0 "[ . 1 . 2]" 1
602 1 52 ILE MD 1 70 LYS H . . 4.160 4.166 3.230 4.276 0.116 20 0 "[ . 1 . 2]" 1
603 1 52 ILE MD 1 70 LYS HA . . 4.160 2.790 2.189 3.951 . 0 0 "[ . 1 . 2]" 1
604 1 52 ILE MD 1 70 LYS HB2 . . 4.380 3.774 3.265 4.513 0.133 1 0 "[ . 1 . 2]" 1
605 1 52 ILE HG13 1 52 ILE MG . . 3.200 3.209 3.194 3.221 0.021 17 0 "[ . 1 . 2]" 1
606 1 52 ILE MG 1 53 PHE H . . 3.300 2.659 2.558 2.849 . 0 0 "[ . 1 . 2]" 1
607 1 53 PHE H 1 53 PHE HB2 . . 4.210 3.856 3.833 3.892 . 0 0 "[ . 1 . 2]" 1
608 1 53 PHE H 1 53 PHE HB3 . . 4.210 3.495 3.431 3.537 . 0 0 "[ . 1 . 2]" 1
609 1 53 PHE H 1 53 PHE QD . . 3.610 2.883 2.800 2.974 . 0 0 "[ . 1 . 2]" 1
610 1 53 PHE H 1 53 PHE QE . . 4.230 4.266 4.243 4.289 0.059 7 0 "[ . 1 . 2]" 1
611 1 53 PHE HA 1 54 ASP H . . 3.020 2.528 2.428 2.573 . 0 0 "[ . 1 . 2]" 1
612 1 53 PHE HA 1 67 LEU MD2 . . 4.300 3.094 2.784 3.300 . 0 0 "[ . 1 . 2]" 1
613 1 53 PHE HA 1 68 ARG H . . 4.110 3.712 3.467 3.893 . 0 0 "[ . 1 . 2]" 1
614 1 53 PHE HB2 1 54 ASP H . . 3.500 2.027 1.891 2.126 . 0 0 "[ . 1 . 2]" 1
615 1 53 PHE HB2 1 64 ALA MB . . 4.140 2.691 2.500 2.853 . 0 0 "[ . 1 . 2]" 1
616 1 53 PHE HB2 1 65 VAL H . . 4.570 2.645 2.585 2.712 . 0 0 "[ . 1 . 2]" 1
617 1 53 PHE HB2 1 65 VAL MG2 . . 4.350 4.150 4.043 4.290 . 0 0 "[ . 1 . 2]" 1
618 1 53 PHE HB2 1 67 LEU HA . . 4.330 3.834 3.619 4.009 . 0 0 "[ . 1 . 2]" 1
619 1 53 PHE HB2 1 67 LEU MD2 . . 3.850 2.474 2.380 2.558 . 0 0 "[ . 1 . 2]" 1
620 1 53 PHE HB3 1 54 ASP H . . 3.680 3.494 3.391 3.566 . 0 0 "[ . 1 . 2]" 1
621 1 53 PHE HB3 1 64 ALA MB . . 3.910 2.934 2.764 3.054 . 0 0 "[ . 1 . 2]" 1
622 1 53 PHE HB3 1 65 VAL H . . 4.080 4.153 4.133 4.187 0.107 10 0 "[ . 1 . 2]" 1
623 1 53 PHE HB3 1 67 LEU HA . . 4.580 2.885 2.665 3.161 . 0 0 "[ . 1 . 2]" 1
624 1 53 PHE HB3 1 67 LEU MD1 . . 3.940 4.085 4.021 4.133 0.193 20 0 "[ . 1 . 2]" 1
625 1 53 PHE HB3 1 67 LEU MD2 . . 3.940 1.810 1.786 1.864 . 0 0 "[ . 1 . 2]" 1
626 1 53 PHE HB3 1 68 ARG H . . 4.440 4.110 3.868 4.401 . 0 0 "[ . 1 . 2]" 1
627 1 53 PHE QD 1 54 ASP H . . 4.050 3.041 2.933 3.128 . 0 0 "[ . 1 . 2]" 1
628 1 53 PHE QD 1 55 LEU H . . 4.140 4.124 3.973 4.202 0.062 10 0 "[ . 1 . 2]" 1
629 1 53 PHE QD 1 64 ALA HA . . 3.630 2.536 2.390 2.730 . 0 0 "[ . 1 . 2]" 1
630 1 53 PHE QD 1 64 ALA MB . . 3.690 2.727 2.620 2.787 . 0 0 "[ . 1 . 2]" 1
631 1 53 PHE QD 1 65 VAL H . . 4.040 2.909 2.755 3.063 . 0 0 "[ . 1 . 2]" 1
632 1 53 PHE HZ 1 64 ALA MB . . 3.930 3.985 3.948 4.034 0.104 3 0 "[ . 1 . 2]" 1
633 1 54 ASP H 1 54 ASP HB2 . . 3.480 2.609 2.389 2.670 . 0 0 "[ . 1 . 2]" 1
634 1 54 ASP H 1 64 ALA HA . . 4.170 4.278 4.208 4.311 0.141 10 0 "[ . 1 . 2]" 1
635 1 54 ASP H 1 65 VAL H . . 3.400 2.809 2.720 2.880 . 0 0 "[ . 1 . 2]" 1
636 1 54 ASP H 1 65 VAL MG2 . . 4.040 3.137 2.997 3.389 . 0 0 "[ . 1 . 2]" 1
637 1 54 ASP H 1 66 ASN HB2 . . 4.040 4.086 2.904 4.181 0.141 2 0 "[ . 1 . 2]" 1
638 1 54 ASP H 1 66 ASN HB3 . . 4.400 2.977 2.712 4.453 0.053 9 0 "[ . 1 . 2]" 1
639 1 54 ASP H 1 67 LEU HA . . 4.640 4.582 4.345 4.684 0.044 18 0 "[ . 1 . 2]" 1
640 1 54 ASP HA 1 55 LEU H . . 3.030 2.326 2.202 2.413 . 0 0 "[ . 1 . 2]" 1
641 1 54 ASP HB2 1 55 LEU H . . 4.020 3.698 3.528 4.028 0.008 3 0 "[ . 1 . 2]" 1
642 1 54 ASP HB2 1 65 VAL MG2 . . 3.660 2.235 1.949 2.713 . 0 0 "[ . 1 . 2]" 1
643 1 54 ASP HB3 1 55 LEU H . . 3.570 2.619 2.401 2.970 . 0 0 "[ . 1 . 2]" 1
644 1 54 ASP HB3 1 65 VAL MG2 . . 3.980 3.380 2.840 3.864 . 0 0 "[ . 1 . 2]" 1
645 1 55 LEU H 1 55 LEU HB2 . . 3.350 3.213 3.074 3.340 . 0 0 "[ . 1 . 2]" 1
646 1 55 LEU H 1 55 LEU HB3 . . 3.250 2.568 2.427 2.717 . 0 0 "[ . 1 . 2]" 1
647 1 55 LEU HA 1 55 LEU MD1 . . 3.900 2.204 2.120 2.306 . 0 0 "[ . 1 . 2]" 1
648 1 55 LEU HA 1 55 LEU MD2 . . 3.960 3.828 3.786 3.885 . 0 0 "[ . 1 . 2]" 1
649 1 55 LEU HA 1 56 GLU H . . 2.850 1.963 1.864 2.090 . 0 0 "[ . 1 . 2]" 1
650 1 55 LEU HA 1 65 VAL H . . 4.170 3.420 3.134 3.656 . 0 0 "[ . 1 . 2]" 1
651 1 55 LEU HB2 1 56 GLU H . . 4.990 3.987 3.910 4.123 . 0 0 "[ . 1 . 2]" 1
652 1 55 LEU HB3 1 55 LEU MD1 . . 3.360 3.173 3.142 3.201 . 0 0 "[ . 1 . 2]" 1
653 1 55 LEU HB3 1 56 GLU H . . 4.010 4.111 4.050 4.174 0.164 13 0 "[ . 1 . 2]" 1
654 1 55 LEU MD1 1 55 LEU MD2 . . 2.400 2.066 2.049 2.084 . 0 0 "[ . 1 . 2]" 1
655 1 55 LEU MD1 1 56 GLU H . . 3.860 1.916 1.673 2.352 . 0 0 "[ . 1 . 2]" 1
656 1 55 LEU MD1 1 62 ALA MB . . 3.160 1.891 1.803 2.093 . 0 0 "[ . 1 . 2]" 1
657 1 55 LEU MD1 1 63 TYR H . . 4.150 2.339 2.133 2.526 . 0 0 "[ . 1 . 2]" 1
658 1 56 GLU H 1 56 GLU QG . . 4.170 3.401 2.720 4.171 0.001 17 0 "[ . 1 . 2]" 1
659 1 56 GLU H 1 65 VAL MG2 . . 4.270 3.240 2.659 3.874 . 0 0 "[ . 1 . 2]" 1
660 1 56 GLU HA 1 57 GLU H . . 3.250 2.230 2.065 2.385 . 0 0 "[ . 1 . 2]" 1
661 1 56 GLU QB 1 65 VAL MG2 . . 4.080 3.257 2.566 4.106 0.026 11 0 "[ . 1 . 2]" 1
662 1 56 GLU QG 1 57 GLU H . . 3.930 3.501 2.319 4.091 0.161 15 0 "[ . 1 . 2]" 1
663 1 57 GLU H 1 57 GLU QB . . 3.530 2.439 2.229 2.871 . 0 0 "[ . 1 . 2]" 1
664 1 57 GLU HA 1 57 GLU HG3 . . 4.120 2.984 2.467 4.214 0.094 11 0 "[ . 1 . 2]" 1
665 1 57 GLU HA 1 58 LYS H . . 2.760 2.091 1.982 2.208 . 0 0 "[ . 1 . 2]" 1
666 1 57 GLU QB 1 57 GLU HG3 . . 2.490 2.323 2.101 2.428 . 0 0 "[ . 1 . 2]" 1
667 1 57 GLU QB 1 58 LYS H . . 3.830 3.117 2.328 3.809 . 0 0 "[ . 1 . 2]" 1
668 1 57 GLU HG2 1 58 LYS H . . 4.330 3.809 2.595 4.475 0.145 10 0 "[ . 1 . 2]" 1
669 1 58 LYS H 1 58 LYS QB . . 3.520 2.299 2.169 2.545 . 0 0 "[ . 1 . 2]" 1
670 1 58 LYS H 1 58 LYS QD . . 4.660 4.479 4.239 4.698 0.038 9 0 "[ . 1 . 2]" 1
671 1 58 LYS H 1 58 LYS QG . . 4.810 4.011 3.943 4.101 . 0 0 "[ . 1 . 2]" 1
672 1 58 LYS H 1 61 LYS H . . 3.630 3.399 2.988 3.698 0.068 5 0 "[ . 1 . 2]" 1
673 1 58 LYS H 1 61 LYS QB . . 4.210 3.464 3.244 3.787 . 0 0 "[ . 1 . 2]" 1
674 1 58 LYS H 1 62 ALA HA . . 3.970 3.142 2.892 3.655 . 0 0 "[ . 1 . 2]" 1
675 1 58 LYS H 1 63 TYR QD . . 3.920 3.379 2.766 3.927 0.007 10 0 "[ . 1 . 2]" 1
676 1 58 LYS H 1 63 TYR QE . . 3.950 3.577 2.974 3.970 0.020 4 0 "[ . 1 . 2]" 1
677 1 58 LYS HA 1 58 LYS QD . . 4.440 3.449 2.113 4.108 . 0 0 "[ . 1 . 2]" 1
678 1 58 LYS HA 1 58 LYS QE . . 4.810 4.158 1.774 4.932 0.122 19 0 "[ . 1 . 2]" 1
679 1 58 LYS HA 1 58 LYS QG . . 3.960 2.694 2.357 3.053 . 0 0 "[ . 1 . 2]" 1
680 1 58 LYS HA 1 59 GLN H . . 4.100 2.518 2.235 3.458 . 0 0 "[ . 1 . 2]" 1
681 1 58 LYS QB 1 58 LYS QD . . 3.330 2.213 2.076 2.436 . 0 0 "[ . 1 . 2]" 1
682 1 58 LYS QB 1 61 LYS H . . 3.990 3.063 2.244 3.371 . 0 0 "[ . 1 . 2]" 1
683 1 58 LYS QB 1 61 LYS QE . . 5.250 4.995 3.917 5.336 0.086 12 0 "[ . 1 . 2]" 1
684 1 58 LYS QB 1 61 LYS QG . . 3.620 3.423 3.147 3.698 0.078 19 0 "[ . 1 . 2]" 1
685 1 58 LYS QB 1 62 ALA H . . 4.330 4.372 4.289 4.430 0.100 18 0 "[ . 1 . 2]" 1
686 1 58 LYS QB 1 63 TYR H . . 4.380 4.123 3.904 4.401 0.021 9 0 "[ . 1 . 2]" 1
687 1 58 LYS QB 1 63 TYR QD . . 3.840 2.312 1.951 2.726 . 0 0 "[ . 1 . 2]" 1
688 1 58 LYS QB 1 63 TYR QE . . 3.490 2.101 1.889 2.773 . 0 0 "[ . 1 . 2]" 1
689 1 58 LYS QG 1 61 LYS H . . 4.030 3.976 3.547 4.103 0.073 12 0 "[ . 1 . 2]" 1
690 1 59 GLN HA 1 59 GLN QG . . 3.370 2.588 2.406 3.015 . 0 0 "[ . 1 . 2]" 1
691 1 59 GLN HA 1 60 GLY H . . 3.530 3.098 2.115 3.541 0.011 11 0 "[ . 1 . 2]" 1
692 1 59 GLN HB2 1 59 GLN QG . . 2.400 2.321 2.161 2.382 . 0 0 "[ . 1 . 2]" 1
693 1 59 GLN HB3 1 59 GLN QG . . 2.710 2.299 2.159 2.375 . 0 0 "[ . 1 . 2]" 1
694 1 60 GLY H 1 60 GLY HA3 . . 3.140 2.716 2.333 2.955 . 0 0 "[ . 1 . 2]" 1
695 1 60 GLY H 1 61 LYS H . . 3.480 2.256 1.647 3.355 . 0 0 "[ . 1 . 2]" 1
696 1 60 GLY HA2 1 61 LYS H . . 4.010 3.400 3.170 3.577 . 0 0 "[ . 1 . 2]" 1
697 1 60 GLY HA3 1 61 LYS H . . 4.160 3.024 2.592 3.343 . 0 0 "[ . 1 . 2]" 1
698 1 61 LYS H 1 61 LYS QB . . 3.110 2.420 2.190 2.628 . 0 0 "[ . 1 . 2]" 1
699 1 61 LYS H 1 61 LYS QD . . 4.440 3.872 2.016 4.512 0.072 16 0 "[ . 1 . 2]" 1
700 1 61 LYS H 1 61 LYS QE . . 4.780 4.229 3.121 4.768 . 0 0 "[ . 1 . 2]" 1
701 1 61 LYS H 1 61 LYS QG . . 4.290 2.916 2.249 4.090 . 0 0 "[ . 1 . 2]" 1
702 1 61 LYS HA 1 61 LYS QD . . 3.980 2.580 1.861 4.139 0.159 7 0 "[ . 1 . 2]" 1
703 1 61 LYS HA 1 61 LYS QE . . 3.780 2.966 1.761 3.926 0.146 19 0 "[ . 1 . 2]" 1
704 1 61 LYS HA 1 62 ALA H . . 3.260 2.426 2.291 2.542 . 0 0 "[ . 1 . 2]" 1
705 1 61 LYS QB 1 61 LYS QD . . 3.320 2.500 2.229 2.828 . 0 0 "[ . 1 . 2]" 1
706 1 61 LYS QB 1 62 ALA H . . 3.660 2.661 2.299 3.404 . 0 0 "[ . 1 . 2]" 1
707 1 62 ALA H 1 62 ALA MB . . 3.210 2.461 2.379 2.559 . 0 0 "[ . 1 . 2]" 1
708 1 62 ALA HA 1 63 TYR H . . 2.940 2.210 2.163 2.251 . 0 0 "[ . 1 . 2]" 1
709 1 62 ALA MB 1 63 TYR H . . 3.580 3.267 3.125 3.353 . 0 0 "[ . 1 . 2]" 1
710 1 63 TYR H 1 63 TYR HB2 . . 3.950 3.849 3.800 3.907 . 0 0 "[ . 1 . 2]" 1
711 1 63 TYR H 1 63 TYR HB3 . . 3.720 3.254 3.184 3.343 . 0 0 "[ . 1 . 2]" 1
712 1 63 TYR H 1 63 TYR QD . . 3.580 2.346 1.836 2.786 . 0 0 "[ . 1 . 2]" 1
713 1 63 TYR HA 1 63 TYR QD . . 4.120 3.730 3.690 3.762 . 0 0 "[ . 1 . 2]" 1
714 1 63 TYR HA 1 64 ALA H . . 3.000 2.036 1.979 2.115 . 0 0 "[ . 1 . 2]" 1
715 1 63 TYR HB2 1 63 TYR QD . . 3.320 2.279 2.233 2.361 . 0 0 "[ . 1 . 2]" 1
716 1 63 TYR HB2 1 64 ALA H . . 3.790 2.887 2.765 3.013 . 0 0 "[ . 1 . 2]" 1
717 1 63 TYR HB3 1 64 ALA H . . 3.780 3.880 3.844 3.922 0.142 17 0 "[ . 1 . 2]" 1
718 1 63 TYR QD 1 64 ALA H . . 4.250 4.198 3.995 4.297 0.047 15 0 "[ . 1 . 2]" 1
719 1 64 ALA H 1 64 ALA MB . . 3.320 2.274 2.229 2.328 . 0 0 "[ . 1 . 2]" 1
720 1 64 ALA HA 1 65 VAL H . . 2.860 2.042 1.997 2.084 . 0 0 "[ . 1 . 2]" 1
721 1 64 ALA MB 1 65 VAL H . . 3.890 2.946 2.842 3.098 . 0 0 "[ . 1 . 2]" 1
722 1 65 VAL H 1 65 VAL HB . . 4.330 3.889 3.847 3.925 . 0 0 "[ . 1 . 2]" 1
723 1 65 VAL H 1 65 VAL MG1 . . 3.720 3.093 2.961 3.192 . 0 0 "[ . 1 . 2]" 1
724 1 65 VAL H 1 65 VAL MG2 . . 3.180 2.337 2.245 2.392 . 0 0 "[ . 1 . 2]" 1
725 1 65 VAL HA 1 66 ASN H . . 3.240 2.429 2.316 2.564 . 0 0 "[ . 1 . 2]" 1
726 1 65 VAL HA 1 67 LEU H . . 4.410 4.197 3.482 4.343 . 0 0 "[ . 1 . 2]" 1
727 1 65 VAL HB 1 66 ASN H . . 2.850 2.281 1.999 2.444 . 0 0 "[ . 1 . 2]" 1
728 1 65 VAL MG1 1 65 VAL MG2 . . 2.790 2.077 2.071 2.083 . 0 0 "[ . 1 . 2]" 1
729 1 65 VAL MG1 1 66 ASN H . . 3.830 3.596 3.391 3.778 . 0 0 "[ . 1 . 2]" 1
730 1 65 VAL MG2 1 66 ASN H . . 3.780 3.333 3.063 3.490 . 0 0 "[ . 1 . 2]" 1
731 1 66 ASN H 1 66 ASN HA . . 2.850 2.273 2.204 2.298 . 0 0 "[ . 1 . 2]" 1
732 1 66 ASN H 1 66 ASN HB2 . . 4.060 3.102 3.002 3.484 . 0 0 "[ . 1 . 2]" 1
733 1 66 ASN H 1 66 ASN HB3 . . 3.850 3.670 3.572 3.970 0.120 9 0 "[ . 1 . 2]" 1
734 1 66 ASN H 1 67 LEU H . . 3.370 3.028 2.646 3.102 . 0 0 "[ . 1 . 2]" 1
735 1 66 ASN HA 1 67 LEU H . . 3.230 2.478 2.400 2.726 . 0 0 "[ . 1 . 2]" 1
736 1 66 ASN HB2 1 66 ASN HD21 . . 3.620 2.804 2.226 3.423 . 0 0 "[ . 1 . 2]" 1
737 1 66 ASN HB2 1 67 LEU H . . 4.690 4.669 4.464 4.711 0.021 8 0 "[ . 1 . 2]" 1
738 1 66 ASN HB3 1 67 LEU H . . 4.680 4.336 4.166 4.405 . 0 0 "[ . 1 . 2]" 1
739 1 67 LEU H 1 67 LEU HB2 . . 3.860 2.560 2.504 2.641 . 0 0 "[ . 1 . 2]" 1
740 1 67 LEU H 1 67 LEU HB3 . . 3.840 3.644 3.585 3.678 . 0 0 "[ . 1 . 2]" 1
741 1 67 LEU H 1 67 LEU MD1 . . 4.090 3.880 3.712 3.950 . 0 0 "[ . 1 . 2]" 1
742 1 67 LEU H 1 67 LEU HG . . 3.050 2.586 2.318 2.680 . 0 0 "[ . 1 . 2]" 1
743 1 67 LEU HA 1 67 LEU MD1 . . 4.160 3.659 3.602 3.712 . 0 0 "[ . 1 . 2]" 1
744 1 67 LEU HA 1 67 LEU MD2 . . 3.620 2.096 2.048 2.166 . 0 0 "[ . 1 . 2]" 1
745 1 67 LEU HA 1 68 ARG H . . 2.730 2.092 2.032 2.175 . 0 0 "[ . 1 . 2]" 1
746 1 67 LEU HB2 1 67 LEU HG . . 2.460 2.379 2.352 2.424 . 0 0 "[ . 1 . 2]" 1
747 1 67 LEU HB3 1 67 LEU HG . . 3.010 3.011 2.998 3.031 0.021 3 0 "[ . 1 . 2]" 1
748 1 67 LEU HB3 1 68 ARG H . . 3.990 2.798 2.662 2.932 . 0 0 "[ . 1 . 2]" 1
749 1 67 LEU MD1 1 67 LEU MD2 . . 2.400 1.998 1.985 2.008 . 0 0 "[ . 1 . 2]" 1
750 1 67 LEU MD1 1 68 ARG H . . 4.310 4.400 4.345 4.447 0.137 10 0 "[ . 1 . 2]" 1
751 1 68 ARG H 1 68 ARG HB2 . . 3.630 2.892 2.190 3.297 . 0 0 "[ . 1 . 2]" 1
752 1 68 ARG H 1 68 ARG HB3 . . 3.380 3.042 2.437 3.586 0.206 10 0 "[ . 1 . 2]" 1
753 1 68 ARG H 1 68 ARG HD3 . . 4.710 4.280 2.759 4.953 0.243 9 0 "[ . 1 . 2]" 1
754 1 68 ARG H 1 68 ARG QG . . 4.250 3.888 2.793 4.268 0.018 7 0 "[ . 1 . 2]" 1
755 1 68 ARG HA 1 68 ARG HD2 . . 5.500 3.944 2.924 4.852 . 0 0 "[ . 1 . 2]" 1
756 1 68 ARG HA 1 68 ARG HD3 . . 5.500 2.865 2.010 4.627 . 0 0 "[ . 1 . 2]" 1
757 1 68 ARG HA 1 68 ARG QG . . 3.900 2.708 2.352 3.015 . 0 0 "[ . 1 . 2]" 1
758 1 68 ARG HA 1 69 ILE H . . 3.010 2.293 2.222 2.364 . 0 0 "[ . 1 . 2]" 1
759 1 68 ARG HB2 1 68 ARG HD2 . . 3.470 3.454 2.418 3.563 0.093 15 0 "[ . 1 . 2]" 1
760 1 68 ARG HB2 1 68 ARG HD3 . . 3.490 2.701 1.990 3.556 0.066 13 0 "[ . 1 . 2]" 1
761 1 68 ARG HB2 1 69 ILE H . . 4.860 4.305 4.064 4.502 . 0 0 "[ . 1 . 2]" 1
762 1 68 ARG HB3 1 68 ARG HD2 . . 4.310 3.965 2.469 4.237 . 0 0 "[ . 1 . 2]" 1
763 1 68 ARG HB3 1 68 ARG HD3 . . 3.890 3.481 2.251 3.748 . 0 0 "[ . 1 . 2]" 1
764 1 69 ILE H 1 69 ILE HB . . 3.780 3.518 2.603 3.764 . 0 0 "[ . 1 . 2]" 1
765 1 69 ILE H 1 69 ILE MD . . 4.090 2.450 1.557 3.716 . 0 0 "[ . 1 . 2]" 1
766 1 69 ILE H 1 69 ILE HG12 . . 4.150 3.430 2.018 3.986 . 0 0 "[ . 1 . 2]" 1
767 1 69 ILE H 1 69 ILE HG13 . . 3.380 2.666 1.955 3.596 0.216 3 0 "[ . 1 . 2]" 1
768 1 69 ILE H 1 69 ILE MG . . 3.920 2.939 2.388 3.876 . 0 0 "[ . 1 . 2]" 1
769 1 69 ILE HA 1 69 ILE MD . . 3.810 3.571 2.185 3.841 0.031 18 0 "[ . 1 . 2]" 1
770 1 69 ILE HA 1 69 ILE MG . . 3.570 2.269 2.128 2.356 . 0 0 "[ . 1 . 2]" 1
771 1 69 ILE HA 1 70 LYS H . . 2.900 2.138 1.962 2.259 . 0 0 "[ . 1 . 2]" 1
772 1 69 ILE HB 1 70 LYS H . . 3.760 3.004 2.621 3.878 0.118 18 0 "[ . 1 . 2]" 1
773 1 69 ILE MD 1 69 ILE MG . . 3.200 2.794 1.932 3.254 0.054 1 0 "[ . 1 . 2]" 1
774 1 69 ILE MG 1 70 LYS H . . 3.540 3.312 2.287 3.666 0.126 10 0 "[ . 1 . 2]" 1
775 1 70 LYS H 1 70 LYS HB2 . . 3.630 2.475 2.341 2.718 . 0 0 "[ . 1 . 2]" 1
776 1 70 LYS H 1 70 LYS HB3 . . 3.630 2.733 2.481 3.657 0.027 3 0 "[ . 1 . 2]" 1
777 1 70 LYS H 1 70 LYS QG . . 3.830 3.785 2.443 3.961 0.131 1 0 "[ . 1 . 2]" 1
778 1 70 LYS HA 1 70 LYS QD . . 4.360 4.049 3.972 4.283 . 0 0 "[ . 1 . 2]" 1
779 1 70 LYS HA 1 70 LYS QE . . 5.090 4.509 3.889 4.956 . 0 0 "[ . 1 . 2]" 1
780 1 70 LYS HA 1 70 LYS QG . . 3.820 2.404 2.307 2.501 . 0 0 "[ . 1 . 2]" 1
781 1 70 LYS HB2 1 70 LYS QD . . 2.400 2.410 2.331 2.531 0.131 17 0 "[ . 1 . 2]" 1
782 1 70 LYS HB2 1 70 LYS QE . . 4.490 3.640 2.111 4.162 . 0 0 "[ . 1 . 2]" 1
783 1 70 LYS HB2 1 70 LYS QG . . 2.670 2.326 2.208 2.398 . 0 0 "[ . 1 . 2]" 1
784 1 70 LYS HB3 1 70 LYS QD . . 3.000 2.498 2.225 2.944 . 0 0 "[ . 1 . 2]" 1
785 1 70 LYS HB3 1 70 LYS QE . . 3.850 3.311 1.943 3.924 0.074 1 0 "[ . 1 . 2]" 1
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