NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423154 |
2f09   |
6955 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2f09
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 786
_Distance_constraint_stats_list.Viol_count 3131
_Distance_constraint_stats_list.Viol_total 4437.483
_Distance_constraint_stats_list.Viol_max 0.369
_Distance_constraint_stats_list.Viol_rms 0.0374
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0141
_Distance_constraint_stats_list.Viol_average_violations_only 0.0709
_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 22 GLN 0.666 0.223 10 0 "[ . 1 . 2]"
1 23 THR 3.765 0.243 19 0 "[ . 1 . 2]"
1 24 ASP 3.309 0.227 11 0 "[ . 1 . 2]"
1 25 THR 3.243 0.227 11 0 "[ . 1 . 2]"
1 26 LEU 8.584 0.249 18 0 "[ . 1 . 2]"
1 27 GLU 9.572 0.254 18 0 "[ . 1 . 2]"
1 28 TYR 7.931 0.221 12 0 "[ . 1 . 2]"
1 29 GLN 5.669 0.257 15 0 "[ . 1 . 2]"
1 30 CYS 8.793 0.289 19 0 "[ . 1 . 2]"
1 31 ASP 0.576 0.121 3 0 "[ . 1 . 2]"
1 32 GLU 4.009 0.201 12 0 "[ . 1 . 2]"
1 33 LYS 12.960 0.369 19 0 "[ . 1 . 2]"
1 34 PRO 2.227 0.158 20 0 "[ . 1 . 2]"
1 35 LEU 6.396 0.237 8 0 "[ . 1 . 2]"
1 36 THR 7.454 0.237 17 0 "[ . 1 . 2]"
1 37 VAL 4.585 0.246 10 0 "[ . 1 . 2]"
1 38 LYS 7.708 0.200 19 0 "[ . 1 . 2]"
1 39 LEU 4.980 0.243 19 0 "[ . 1 . 2]"
1 40 ASN 5.640 0.246 10 0 "[ . 1 . 2]"
1 41 ASN 0.928 0.113 20 0 "[ . 1 . 2]"
1 42 PRO 0.820 0.133 11 0 "[ . 1 . 2]"
1 43 ARG 3.554 0.174 6 0 "[ . 1 . 2]"
1 44 GLN 4.246 0.325 2 0 "[ . 1 . 2]"
1 45 GLU 3.018 0.325 2 0 "[ . 1 . 2]"
1 46 VAL 5.190 0.200 19 0 "[ . 1 . 2]"
1 47 SER 3.661 0.121 14 0 "[ . 1 . 2]"
1 48 PHE 7.577 0.243 4 0 "[ . 1 . 2]"
1 49 VAL 9.025 0.243 4 0 "[ . 1 . 2]"
1 50 TYR 6.085 0.187 20 0 "[ . 1 . 2]"
1 51 ASP 1.403 0.187 20 0 "[ . 1 . 2]"
1 52 ASN 0.272 0.067 3 0 "[ . 1 . 2]"
1 53 GLN 6.746 0.176 3 0 "[ . 1 . 2]"
1 54 LEU 6.940 0.176 3 0 "[ . 1 . 2]"
1 55 LEU 4.333 0.148 3 0 "[ . 1 . 2]"
1 56 HIS 2.951 0.135 13 0 "[ . 1 . 2]"
1 57 LEU 10.934 0.185 14 0 "[ . 1 . 2]"
1 58 LYS 6.772 0.241 12 0 "[ . 1 . 2]"
1 59 GLN 8.060 0.223 8 0 "[ . 1 . 2]"
1 60 GLY 3.001 0.158 2 0 "[ . 1 . 2]"
1 61 ILE 1.901 0.162 6 0 "[ . 1 . 2]"
1 62 SER 1.449 0.104 13 0 "[ . 1 . 2]"
1 63 ALA 3.291 0.231 1 0 "[ . 1 . 2]"
1 64 SER 0.029 0.029 7 0 "[ . 1 . 2]"
1 65 GLY 2.171 0.150 13 0 "[ . 1 . 2]"
1 66 ALA 6.547 0.320 4 0 "[ . 1 . 2]"
1 67 ARG 5.990 0.320 4 0 "[ . 1 . 2]"
1 68 TYR 5.990 0.241 12 0 "[ . 1 . 2]"
1 69 THR 6.661 0.190 20 0 "[ . 1 . 2]"
1 70 ASP 2.131 0.109 5 0 "[ . 1 . 2]"
1 71 GLY 0.514 0.100 8 0 "[ . 1 . 2]"
1 72 ILE 2.772 0.149 11 0 "[ . 1 . 2]"
1 73 TYR 10.088 0.340 10 0 "[ . 1 . 2]"
1 74 VAL 5.027 0.312 10 0 "[ . 1 . 2]"
1 75 PHE 1.388 0.166 10 0 "[ . 1 . 2]"
1 76 TRP 6.283 0.158 9 0 "[ . 1 . 2]"
1 77 SER 7.701 0.158 9 0 "[ . 1 . 2]"
1 78 LYS 3.062 0.122 14 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASP 0.884 0.129 9 0 "[ . 1 . 2]"
1 81 GLU 4.997 0.167 13 0 "[ . 1 . 2]"
1 82 ALA 3.730 0.153 16 0 "[ . 1 . 2]"
1 83 THR 4.306 0.153 16 0 "[ . 1 . 2]"
1 84 VAL 4.892 0.182 5 0 "[ . 1 . 2]"
1 85 TYR 4.139 0.191 16 0 "[ . 1 . 2]"
1 86 LYS 16.592 0.294 10 0 "[ . 1 . 2]"
1 87 ARG 7.799 0.255 15 0 "[ . 1 . 2]"
1 88 ASP 5.043 0.219 1 0 "[ . 1 . 2]"
1 89 ARG 6.324 0.177 15 0 "[ . 1 . 2]"
1 90 ILE 12.602 0.202 15 0 "[ . 1 . 2]"
1 91 VAL 11.179 0.340 10 0 "[ . 1 . 2]"
1 92 LEU 7.961 0.369 19 0 "[ . 1 . 2]"
1 93 ASN 1.908 0.219 9 0 "[ . 1 . 2]"
1 94 ASN 3.374 0.172 8 0 "[ . 1 . 2]"
1 95 CYS 7.715 0.335 20 0 "[ . 1 . 2]"
1 96 GLN 8.746 0.335 20 0 "[ . 1 . 2]"
1 97 LEU 7.479 0.245 8 0 "[ . 1 . 2]"
1 98 GLN 3.195 0.254 18 0 "[ . 1 . 2]"
1 99 ASN 2.607 0.233 10 0 "[ . 1 . 2]"
1 100 PRO 7.245 0.233 10 0 "[ . 1 . 2]"
1 101 GLN 5.511 0.169 7 0 "[ . 1 . 2]"
1 102 ARG 3.439 0.169 10 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 22 GLN HA 1 22 GLN QG 3.123 . 3.123 2.631 2.366 3.346 0.223 10 0 "[ . 1 . 2]" 1
2 1 22 GLN HA 1 23 THR H 3.183 . 3.183 2.605 1.953 3.329 0.146 14 0 "[ . 1 . 2]" 1
3 1 22 GLN QB 1 23 THR H 4.180 . 4.180 2.990 1.781 3.998 0.019 13 0 "[ . 1 . 2]" 1
4 1 22 GLN QG 1 23 THR H 4.425 . 4.425 4.110 3.511 4.447 0.022 3 0 "[ . 1 . 2]" 1
5 1 23 THR H 1 23 THR HB 3.837 . 3.837 2.927 2.556 3.519 . 0 0 "[ . 1 . 2]" 1
6 1 23 THR H 1 23 THR MG 4.733 . 4.733 3.695 3.187 3.981 . 0 0 "[ . 1 . 2]" 1
7 1 23 THR HA 1 24 ASP H . . 2.980 2.186 2.003 2.384 . 0 0 "[ . 1 . 2]" 1
8 1 23 THR HA 1 24 ASP QB 4.613 . 4.613 4.238 3.773 4.649 0.036 8 0 "[ . 1 . 2]" 1
9 1 23 THR HA 1 39 LEU QB 4.850 . 4.850 4.911 4.582 5.093 0.243 19 0 "[ . 1 . 2]" 1
10 1 23 THR HB 1 24 ASP H 4.167 . 4.167 3.587 2.935 3.964 . 0 0 "[ . 1 . 2]" 1
11 1 23 THR HB 1 24 ASP QB 5.248 . 5.248 5.171 4.716 5.349 0.101 5 0 "[ . 1 . 2]" 1
12 1 23 THR HB 1 38 LYS QB 5.084 . 5.084 3.651 2.203 4.577 . 0 0 "[ . 1 . 2]" 1
13 1 23 THR HB 1 38 LYS QD 4.685 . 4.685 4.632 4.022 4.780 0.095 12 0 "[ . 1 . 2]" 1
14 1 23 THR HB 1 38 LYS QG 4.517 . 4.517 3.045 2.147 3.728 . 0 0 "[ . 1 . 2]" 1
15 1 23 THR MG 1 24 ASP H 4.041 . 4.041 2.545 1.915 2.824 . 0 0 "[ . 1 . 2]" 1
16 1 23 THR MG 1 24 ASP HA 4.773 . 4.773 4.596 4.177 4.930 0.157 18 0 "[ . 1 . 2]" 1
17 1 23 THR MG 1 38 LYS H 5.236 . 5.236 4.643 4.376 5.110 . 0 0 "[ . 1 . 2]" 1
18 1 23 THR MG 1 38 LYS HA 4.028 . 4.028 2.715 2.121 3.398 . 0 0 "[ . 1 . 2]" 1
19 1 23 THR MG 1 38 LYS QG 4.081 . 4.081 2.805 2.224 3.352 . 0 0 "[ . 1 . 2]" 1
20 1 23 THR MG 1 39 LEU H 4.023 . 4.023 2.917 2.283 3.587 . 0 0 "[ . 1 . 2]" 1
21 1 23 THR MG 1 40 ASN H 4.723 . 4.723 3.478 3.195 4.038 . 0 0 "[ . 1 . 2]" 1
22 1 23 THR MG 1 40 ASN QB . . 5.070 3.299 2.257 4.034 . 0 0 "[ . 1 . 2]" 1
23 1 23 THR MG 1 47 SER H 5.591 . 5.591 4.690 4.195 5.032 . 0 0 "[ . 1 . 2]" 1
24 1 24 ASP H 1 24 ASP QB 3.345 . 3.345 2.293 2.010 2.598 . 0 0 "[ . 1 . 2]" 1
25 1 24 ASP H 1 39 LEU H 3.835 . 3.835 3.687 3.248 3.865 0.030 11 0 "[ . 1 . 2]" 1
26 1 24 ASP H 1 39 LEU QB 4.455 . 4.455 3.118 2.833 3.457 . 0 0 "[ . 1 . 2]" 1
27 1 24 ASP H 1 40 ASN HA 3.754 . 3.754 3.803 3.569 3.895 0.141 7 0 "[ . 1 . 2]" 1
28 1 24 ASP HA 1 25 THR H . . 2.921 2.358 2.019 2.622 . 0 0 "[ . 1 . 2]" 1
29 1 24 ASP HA 1 39 LEU QB 4.295 . 4.295 3.974 3.856 4.101 . 0 0 "[ . 1 . 2]" 1
30 1 24 ASP HA 1 39 LEU QD 4.613 . 4.613 4.457 4.219 4.653 0.040 20 0 "[ . 1 . 2]" 1
31 1 24 ASP QB 1 25 THR H . . 3.440 2.967 2.166 3.667 0.227 11 0 "[ . 1 . 2]" 1
32 1 24 ASP QB 1 39 LEU H 4.081 . 4.081 3.566 3.330 3.993 . 0 0 "[ . 1 . 2]" 1
33 1 24 ASP QB 1 39 LEU QB 3.765 . 3.765 1.845 1.755 2.049 0.045 7 0 "[ . 1 . 2]" 1
34 1 24 ASP QB 1 39 LEU QD 4.115 . 4.115 2.334 1.859 2.947 . 0 0 "[ . 1 . 2]" 1
35 1 25 THR H 1 25 THR HB . . 3.477 3.101 2.692 3.525 0.048 6 0 "[ . 1 . 2]" 1
36 1 25 THR H 1 25 THR MG 4.556 . 4.556 3.271 2.387 3.984 . 0 0 "[ . 1 . 2]" 1
37 1 25 THR H 1 26 LEU H 4.561 . 4.561 4.332 4.238 4.521 . 0 0 "[ . 1 . 2]" 1
38 1 25 THR H 1 26 LEU QD 5.065 . 5.065 4.362 3.992 4.957 . 0 0 "[ . 1 . 2]" 1
39 1 25 THR H 1 39 LEU QD 4.930 . 4.930 3.962 2.933 4.935 0.005 10 0 "[ . 1 . 2]" 1
40 1 25 THR H 1 100 PRO HA 3.848 . 3.848 3.578 2.963 3.941 0.093 16 0 "[ . 1 . 2]" 1
41 1 25 THR H 1 101 GLN HA 4.235 . 4.235 3.907 3.051 4.313 0.078 16 0 "[ . 1 . 2]" 1
42 1 25 THR HA 1 37 VAL H 4.167 . 4.167 3.345 2.975 3.773 . 0 0 "[ . 1 . 2]" 1
43 1 25 THR HA 1 37 VAL QG 5.921 . 5.921 3.498 2.965 4.190 . 0 0 "[ . 1 . 2]" 1
44 1 25 THR HA 1 39 LEU H 4.786 . 4.786 3.103 2.801 3.407 . 0 0 "[ . 1 . 2]" 1
45 1 25 THR HA 1 100 PRO QB 4.295 . 4.295 4.304 4.064 4.415 0.120 20 0 "[ . 1 . 2]" 1
46 1 25 THR HB 1 26 LEU H 4.714 . 4.714 3.910 3.490 4.119 . 0 0 "[ . 1 . 2]" 1
47 1 25 THR HB 1 36 THR MG 4.251 . 4.251 3.816 2.943 4.327 0.076 15 0 "[ . 1 . 2]" 1
48 1 25 THR HB 1 37 VAL H 5.055 . 5.055 4.221 2.834 5.137 0.082 10 0 "[ . 1 . 2]" 1
49 1 25 THR HB 1 38 LYS HA 5.179 . 5.179 4.649 3.678 5.340 0.161 5 0 "[ . 1 . 2]" 1
50 1 25 THR MG 1 26 LEU H 3.883 . 3.883 2.893 2.128 3.719 . 0 0 "[ . 1 . 2]" 1
51 1 25 THR MG 1 37 VAL H 4.789 . 4.789 2.981 1.794 4.384 0.006 15 0 "[ . 1 . 2]" 1
52 1 26 LEU H 1 26 LEU QB 3.559 . 3.559 2.293 2.022 2.586 . 0 0 "[ . 1 . 2]" 1
53 1 26 LEU H 1 26 LEU HG 3.522 . 3.522 3.237 2.471 3.771 0.249 18 0 "[ . 1 . 2]" 1
54 1 26 LEU H 1 36 THR HA 3.600 . 3.600 3.682 3.469 3.782 0.182 5 0 "[ . 1 . 2]" 1
55 1 26 LEU H 1 36 THR MG 4.458 . 4.458 4.294 4.048 4.472 0.014 1 0 "[ . 1 . 2]" 1
56 1 26 LEU H 1 37 VAL H 3.983 . 3.983 2.484 2.228 2.920 . 0 0 "[ . 1 . 2]" 1
57 1 26 LEU H 1 37 VAL HA 4.704 . 4.704 4.701 4.591 4.845 0.141 20 0 "[ . 1 . 2]" 1
58 1 26 LEU H 1 37 VAL HB 4.324 . 4.324 2.441 2.126 2.890 . 0 0 "[ . 1 . 2]" 1
59 1 26 LEU H 1 37 VAL QG 4.262 . 4.262 3.001 2.053 3.661 . 0 0 "[ . 1 . 2]" 1
60 1 26 LEU H 1 39 LEU QD 4.637 . 4.637 4.372 3.744 4.723 0.086 16 0 "[ . 1 . 2]" 1
61 1 26 LEU HA 1 27 GLU H . . 2.990 2.993 2.830 3.106 0.116 20 0 "[ . 1 . 2]" 1
62 1 26 LEU HA 1 97 LEU QD 4.115 . 4.115 1.963 1.728 2.163 0.072 17 0 "[ . 1 . 2]" 1
63 1 26 LEU QB 1 27 GLU H 3.418 . 3.418 1.776 1.738 1.874 0.062 1 0 "[ . 1 . 2]" 1
64 1 26 LEU QB 1 35 LEU QD 5.179 . 5.179 2.654 2.086 3.642 . 0 0 "[ . 1 . 2]" 1
65 1 26 LEU QB 1 37 VAL H . . 4.429 3.448 2.312 4.337 . 0 0 "[ . 1 . 2]" 1
66 1 26 LEU QB 1 37 VAL HB 3.951 . 3.951 3.134 2.246 3.989 0.038 4 0 "[ . 1 . 2]" 1
67 1 26 LEU QB 1 37 VAL QG 3.663 . 3.663 2.463 2.092 2.822 . 0 0 "[ . 1 . 2]" 1
68 1 26 LEU QD 1 27 GLU QB 5.041 . 5.041 4.126 3.833 4.326 . 0 0 "[ . 1 . 2]" 1
69 1 26 LEU QD 1 35 LEU QB 5.404 . 5.404 3.949 3.578 4.152 . 0 0 "[ . 1 . 2]" 1
70 1 26 LEU QD 1 37 VAL H 5.418 . 5.418 4.049 3.260 4.950 . 0 0 "[ . 1 . 2]" 1
71 1 26 LEU QD 1 37 VAL HB 3.991 . 3.991 2.578 1.797 3.904 0.003 10 0 "[ . 1 . 2]" 1
72 1 26 LEU QD 1 100 PRO QD 4.028 . 4.028 4.130 3.826 4.201 0.173 17 0 "[ . 1 . 2]" 1
73 1 26 LEU HG 1 27 GLU H 4.478 . 4.478 4.025 3.356 4.546 0.068 4 0 "[ . 1 . 2]" 1
74 1 27 GLU H 1 27 GLU QG . . 3.788 3.826 3.242 3.885 0.097 15 0 "[ . 1 . 2]" 1
75 1 27 GLU H 1 28 TYR H 3.844 . 3.844 2.334 2.249 2.409 . 0 0 "[ . 1 . 2]" 1
76 1 27 GLU H 1 28 TYR HA 4.081 . 4.081 4.247 4.215 4.273 0.192 10 0 "[ . 1 . 2]" 1
77 1 27 GLU H 1 97 LEU QD . . 4.088 2.398 2.086 2.808 . 0 0 "[ . 1 . 2]" 1
78 1 27 GLU H 1 98 GLN H 4.474 . 4.474 4.290 3.769 4.540 0.066 16 0 "[ . 1 . 2]" 1
79 1 27 GLU HA 1 97 LEU QD 5.323 . 5.323 3.003 2.728 3.364 . 0 0 "[ . 1 . 2]" 1
80 1 27 GLU HA 1 98 GLN H 3.392 . 3.392 3.463 3.049 3.646 0.254 18 0 "[ . 1 . 2]" 1
81 1 27 GLU QB 1 28 TYR H . . 3.873 2.931 2.712 3.237 . 0 0 "[ . 1 . 2]" 1
82 1 27 GLU QB 1 29 GLN H 4.152 . 4.152 2.704 2.144 3.129 . 0 0 "[ . 1 . 2]" 1
83 1 27 GLU QB 1 96 GLN H 4.800 . 4.800 3.847 3.144 4.417 . 0 0 "[ . 1 . 2]" 1
84 1 27 GLU QB 1 97 LEU QB 3.917 . 3.917 3.699 3.077 3.991 0.074 20 0 "[ . 1 . 2]" 1
85 1 27 GLU QB 1 97 LEU QD 4.794 . 4.794 2.565 2.103 2.993 . 0 0 "[ . 1 . 2]" 1
86 1 27 GLU QB 1 98 GLN H 3.573 . 3.573 2.549 1.804 3.591 0.018 12 0 "[ . 1 . 2]" 1
87 1 27 GLU QG 1 28 TYR H . . 4.092 4.037 3.638 4.313 0.221 12 0 "[ . 1 . 2]" 1
88 1 27 GLU QG 1 97 LEU HA 4.873 . 4.873 3.723 2.183 4.392 . 0 0 "[ . 1 . 2]" 1
89 1 27 GLU QG 1 98 GLN H 3.504 . 3.504 3.222 1.885 3.655 0.151 7 0 "[ . 1 . 2]" 1
90 1 28 TYR H 1 28 TYR QB 3.463 . 3.463 2.849 2.737 2.990 . 0 0 "[ . 1 . 2]" 1
91 1 28 TYR H 1 35 LEU H 3.825 . 3.825 3.709 3.316 3.880 0.055 6 0 "[ . 1 . 2]" 1
92 1 28 TYR H 1 35 LEU QB 4.228 . 4.228 3.159 2.501 3.740 . 0 0 "[ . 1 . 2]" 1
93 1 28 TYR H 1 35 LEU QD 5.404 . 5.404 3.974 3.304 4.539 . 0 0 "[ . 1 . 2]" 1
94 1 28 TYR H 1 35 LEU HG 4.442 . 4.442 4.195 3.411 4.533 0.091 14 0 "[ . 1 . 2]" 1
95 1 28 TYR H 1 36 THR MG 4.509 . 4.509 4.617 4.570 4.682 0.173 5 0 "[ . 1 . 2]" 1
96 1 28 TYR H 1 97 LEU QD 4.225 . 4.225 4.206 4.023 4.319 0.094 5 0 "[ . 1 . 2]" 1
97 1 28 TYR QB 1 29 GLN H 4.335 . 4.335 4.058 3.934 4.155 . 0 0 "[ . 1 . 2]" 1
98 1 28 TYR QB 1 35 LEU H 3.852 . 3.852 3.405 2.827 3.881 0.029 3 0 "[ . 1 . 2]" 1
99 1 28 TYR QB 1 35 LEU QB 4.329 . 4.329 4.314 3.918 4.434 0.105 3 0 "[ . 1 . 2]" 1
100 1 29 GLN H 1 29 GLN QB 3.893 . 3.893 2.773 2.579 3.214 . 0 0 "[ . 1 . 2]" 1
101 1 29 GLN H 1 29 GLN QG . . 3.575 3.091 2.232 3.754 0.179 2 0 "[ . 1 . 2]" 1
102 1 29 GLN H 1 30 CYS QB 4.339 . 4.339 4.454 4.376 4.527 0.188 1 0 "[ . 1 . 2]" 1
103 1 29 GLN H 1 34 PRO HA 4.412 . 4.412 4.213 3.832 4.444 0.032 14 0 "[ . 1 . 2]" 1
104 1 29 GLN H 1 35 LEU QB 4.666 . 4.666 3.760 2.379 4.529 . 0 0 "[ . 1 . 2]" 1
105 1 29 GLN HA 1 29 GLN QG . . 3.480 2.527 2.250 3.385 . 0 0 "[ . 1 . 2]" 1
106 1 29 GLN HA 1 30 CYS H . . 2.800 2.180 1.865 2.833 0.033 15 0 "[ . 1 . 2]" 1
107 1 29 GLN HA 1 35 LEU H 4.850 . 4.850 3.788 2.977 4.638 . 0 0 "[ . 1 . 2]" 1
108 1 29 GLN QB 1 30 CYS H . . 3.784 3.624 2.928 3.937 0.153 16 0 "[ . 1 . 2]" 1
109 1 29 GLN QG 1 30 CYS H . . 3.925 3.962 2.922 4.182 0.257 15 0 "[ . 1 . 2]" 1
110 1 30 CYS H 1 30 CYS QB 3.456 . 3.456 2.520 2.234 2.755 . 0 0 "[ . 1 . 2]" 1
111 1 30 CYS H 1 31 ASP H 4.864 . 4.864 4.406 4.199 4.631 . 0 0 "[ . 1 . 2]" 1
112 1 30 CYS H 1 33 LYS H 4.052 . 4.052 4.030 3.550 4.230 0.178 15 0 "[ . 1 . 2]" 1
113 1 30 CYS H 1 34 PRO HA 3.103 . 3.103 2.680 2.229 3.114 0.011 15 0 "[ . 1 . 2]" 1
114 1 30 CYS H 1 35 LEU H 3.850 . 3.850 3.446 2.874 3.905 0.055 18 0 "[ . 1 . 2]" 1
115 1 30 CYS HA 1 31 ASP H . . 3.472 2.401 2.165 2.748 . 0 0 "[ . 1 . 2]" 1
116 1 30 CYS QB 1 31 ASP H . . 3.437 2.555 1.872 3.193 . 0 0 "[ . 1 . 2]" 1
117 1 30 CYS QB 1 32 GLU H 4.060 . 4.060 2.886 2.177 3.598 . 0 0 "[ . 1 . 2]" 1
118 1 30 CYS QB 1 33 LYS H 2.940 . 2.940 2.523 2.085 2.953 0.013 19 0 "[ . 1 . 2]" 1
119 1 30 CYS QB 1 33 LYS QB 3.770 . 3.770 3.537 2.864 4.059 0.289 19 0 "[ . 1 . 2]" 1
120 1 30 CYS QB 1 33 LYS QG . . 4.251 4.164 2.919 4.413 0.162 20 0 "[ . 1 . 2]" 1
121 1 30 CYS QB 1 35 LEU H 4.309 . 4.309 3.897 3.479 4.333 0.024 12 0 "[ . 1 . 2]" 1
122 1 30 CYS QB 1 92 LEU QD 5.516 . 5.516 2.483 1.841 3.734 . 0 0 "[ . 1 . 2]" 1
123 1 30 CYS QB 1 96 GLN H 4.926 . 4.926 4.623 3.896 5.084 0.158 19 0 "[ . 1 . 2]" 1
124 1 31 ASP H 1 31 ASP QB . . 3.008 2.315 2.127 2.534 . 0 0 "[ . 1 . 2]" 1
125 1 31 ASP H 1 32 GLU H 3.863 . 3.863 2.733 2.384 3.187 . 0 0 "[ . 1 . 2]" 1
126 1 31 ASP H 1 33 LYS H 4.561 . 4.561 4.201 3.917 4.434 . 0 0 "[ . 1 . 2]" 1
127 1 31 ASP HA 1 32 GLU H 4.221 . 4.221 3.457 3.268 3.581 . 0 0 "[ . 1 . 2]" 1
128 1 31 ASP HA 1 33 LYS H 4.708 . 4.708 4.687 4.302 4.829 0.121 3 0 "[ . 1 . 2]" 1
129 1 31 ASP QB 1 32 GLU H . . 3.154 2.765 2.243 3.173 0.019 5 0 "[ . 1 . 2]" 1
130 1 32 GLU H 1 32 GLU QB 3.478 . 3.478 2.413 2.114 2.841 . 0 0 "[ . 1 . 2]" 1
131 1 32 GLU H 1 33 LYS H 3.023 . 3.023 2.301 2.061 2.513 . 0 0 "[ . 1 . 2]" 1
132 1 32 GLU H 1 33 LYS QG . . 4.205 4.171 3.724 4.395 0.190 5 0 "[ . 1 . 2]" 1
133 1 32 GLU HA 1 32 GLU QG 3.386 . 3.386 2.655 2.411 3.055 . 0 0 "[ . 1 . 2]" 1
134 1 32 GLU HA 1 33 LYS H 3.444 . 3.444 3.505 3.325 3.564 0.120 15 0 "[ . 1 . 2]" 1
135 1 32 GLU QB 1 33 LYS H 3.207 . 3.207 2.747 2.006 3.240 0.033 2 0 "[ . 1 . 2]" 1
136 1 32 GLU QB 1 33 LYS QG 4.318 . 4.318 2.491 1.916 3.785 . 0 0 "[ . 1 . 2]" 1
137 1 32 GLU QG 1 33 LYS H 3.800 . 3.800 3.821 3.485 4.001 0.201 12 0 "[ . 1 . 2]" 1
138 1 32 GLU QG 1 33 LYS QG 4.329 . 4.329 3.189 1.794 4.462 0.133 14 0 "[ . 1 . 2]" 1
139 1 33 LYS H 1 33 LYS QB 3.389 . 3.389 2.865 2.506 3.356 . 0 0 "[ . 1 . 2]" 1
140 1 33 LYS H 1 33 LYS QG 3.119 . 3.119 2.973 2.836 3.211 0.092 14 0 "[ . 1 . 2]" 1
141 1 33 LYS H 1 34 PRO HA 4.403 . 4.403 4.511 4.464 4.561 0.158 20 0 "[ . 1 . 2]" 1
142 1 33 LYS H 1 92 LEU HG 4.609 . 4.609 4.296 3.234 4.688 0.079 20 0 "[ . 1 . 2]" 1
143 1 33 LYS HA 1 33 LYS QD 4.805 . 4.805 2.952 2.188 4.399 . 0 0 "[ . 1 . 2]" 1
144 1 33 LYS QB 1 34 PRO QD 3.705 . 3.705 2.497 2.065 3.240 . 0 0 "[ . 1 . 2]" 1
145 1 33 LYS QD 1 34 PRO QD 4.850 . 4.850 3.662 2.087 4.825 . 0 0 "[ . 1 . 2]" 1
146 1 33 LYS QD 1 91 VAL HA 4.472 . 4.472 4.285 3.483 4.604 0.132 8 0 "[ . 1 . 2]" 1
147 1 33 LYS QE 1 91 VAL QG 4.675 . 4.675 3.413 2.147 4.750 0.075 12 0 "[ . 1 . 2]" 1
148 1 33 LYS QG 1 92 LEU HA 3.215 . 3.215 3.243 2.545 3.584 0.369 19 0 "[ . 1 . 2]" 1
149 1 33 LYS QG 1 92 LEU QB 3.819 . 3.819 3.459 2.127 3.967 0.148 9 0 "[ . 1 . 2]" 1
150 1 34 PRO HA 1 35 LEU H 3.786 . 3.786 2.312 2.181 2.485 . 0 0 "[ . 1 . 2]" 1
151 1 35 LEU H 1 35 LEU QB 3.246 . 3.246 2.390 2.220 2.589 . 0 0 "[ . 1 . 2]" 1
152 1 35 LEU H 1 35 LEU QD 4.634 . 4.634 3.867 3.739 4.002 . 0 0 "[ . 1 . 2]" 1
153 1 35 LEU H 1 36 THR HA 4.269 . 4.269 4.411 4.331 4.506 0.237 17 0 "[ . 1 . 2]" 1
154 1 35 LEU H 1 49 VAL QG 4.598 . 4.598 4.476 3.999 4.680 0.082 9 0 "[ . 1 . 2]" 1
155 1 35 LEU HA 1 49 VAL QG 4.723 . 4.723 2.905 2.555 3.164 . 0 0 "[ . 1 . 2]" 1
156 1 35 LEU QB 1 36 THR H . . 3.938 3.951 3.901 3.989 0.051 20 0 "[ . 1 . 2]" 1
157 1 35 LEU QB 1 37 VAL QG 5.362 . 5.362 3.789 3.460 4.109 . 0 0 "[ . 1 . 2]" 1
158 1 35 LEU QD 1 36 THR H 5.033 . 5.033 3.458 2.842 3.852 . 0 0 "[ . 1 . 2]" 1
159 1 35 LEU QD 1 49 VAL QG 3.341 . 3.341 3.317 2.715 3.578 0.237 8 0 "[ . 1 . 2]" 1
160 1 35 LEU HG 1 37 VAL QG 4.335 . 4.335 2.159 1.847 2.946 . 0 0 "[ . 1 . 2]" 1
161 1 36 THR H 1 36 THR HB . . 3.013 2.800 2.690 2.919 . 0 0 "[ . 1 . 2]" 1
162 1 36 THR H 1 36 THR MG 3.966 . 3.966 3.732 3.608 3.804 . 0 0 "[ . 1 . 2]" 1
163 1 36 THR H 1 37 VAL H 4.469 . 4.469 4.254 3.968 4.481 0.012 4 0 "[ . 1 . 2]" 1
164 1 36 THR H 1 37 VAL QG 5.242 . 5.242 4.031 3.684 4.307 . 0 0 "[ . 1 . 2]" 1
165 1 36 THR H 1 49 VAL H 4.507 . 4.507 3.891 3.244 4.533 0.026 20 0 "[ . 1 . 2]" 1
166 1 36 THR H 1 49 VAL QG . . 3.609 2.081 1.798 2.775 0.002 14 0 "[ . 1 . 2]" 1
167 1 36 THR HA 1 37 VAL H . . 3.004 2.193 2.048 2.478 . 0 0 "[ . 1 . 2]" 1
168 1 36 THR HA 1 37 VAL QG 5.643 . 5.643 3.499 2.999 3.761 . 0 0 "[ . 1 . 2]" 1
169 1 36 THR HB 1 37 VAL H 4.442 . 4.442 4.026 3.611 4.272 . 0 0 "[ . 1 . 2]" 1
170 1 36 THR MG 1 37 VAL H 4.130 . 4.130 2.893 2.272 3.328 . 0 0 "[ . 1 . 2]" 1
171 1 36 THR MG 1 37 VAL HA 5.266 . 5.266 4.419 4.219 4.718 . 0 0 "[ . 1 . 2]" 1
172 1 36 THR MG 1 38 LYS QE 4.335 . 4.335 3.348 2.388 4.343 0.008 6 0 "[ . 1 . 2]" 1
173 1 37 VAL H 1 37 VAL HB . . 3.706 2.560 2.288 2.740 . 0 0 "[ . 1 . 2]" 1
174 1 37 VAL H 1 37 VAL QG 4.048 . 4.048 2.593 2.130 2.862 . 0 0 "[ . 1 . 2]" 1
175 1 37 VAL H 1 38 LYS H 4.766 . 4.766 4.404 4.287 4.567 . 0 0 "[ . 1 . 2]" 1
176 1 37 VAL H 1 49 VAL QG 5.301 . 5.301 4.882 4.534 5.351 0.050 6 0 "[ . 1 . 2]" 1
177 1 37 VAL HA 1 38 LYS H . . 2.912 2.219 2.113 2.320 . 0 0 "[ . 1 . 2]" 1
178 1 37 VAL HA 1 38 LYS QB 4.444 . 4.444 4.331 4.214 4.467 0.023 20 0 "[ . 1 . 2]" 1
179 1 37 VAL HA 1 46 VAL HB 4.921 . 4.921 4.084 3.695 4.438 . 0 0 "[ . 1 . 2]" 1
180 1 37 VAL HA 1 47 SER H 4.492 . 4.492 4.325 3.867 4.544 0.052 4 0 "[ . 1 . 2]" 1
181 1 37 VAL HA 1 48 PHE QB 3.911 . 3.911 2.879 1.933 3.787 . 0 0 "[ . 1 . 2]" 1
182 1 37 VAL HA 1 49 VAL H . . 4.433 4.063 3.724 4.512 0.079 20 0 "[ . 1 . 2]" 1
183 1 37 VAL QG 1 38 LYS H 3.860 . 3.860 2.412 2.249 2.653 . 0 0 "[ . 1 . 2]" 1
184 1 37 VAL QG 1 38 LYS QD 4.295 . 4.295 3.954 3.805 4.105 . 0 0 "[ . 1 . 2]" 1
185 1 37 VAL QG 1 39 LEU H 5.259 . 5.259 2.746 2.257 3.172 . 0 0 "[ . 1 . 2]" 1
186 1 37 VAL QG 1 40 ASN H . . 4.240 4.393 4.294 4.486 0.246 10 0 "[ . 1 . 2]" 1
187 1 37 VAL QG 1 46 VAL HA 4.897 . 4.897 3.081 2.858 3.370 . 0 0 "[ . 1 . 2]" 1
188 1 37 VAL QG 1 46 VAL HB 3.904 . 3.904 1.849 1.784 1.971 0.016 9 0 "[ . 1 . 2]" 1
189 1 37 VAL QG 1 46 VAL QG 3.762 . 3.762 2.117 2.039 2.265 . 0 0 "[ . 1 . 2]" 1
190 1 37 VAL QG 1 47 SER H 4.241 . 4.241 3.274 2.697 3.705 . 0 0 "[ . 1 . 2]" 1
191 1 37 VAL QG 1 48 PHE H 5.283 . 5.283 4.392 3.976 4.834 . 0 0 "[ . 1 . 2]" 1
192 1 37 VAL QG 1 48 PHE QB . . 4.295 2.211 1.794 3.121 0.006 3 0 "[ . 1 . 2]" 1
193 1 38 LYS H 1 38 LYS QB . . 3.263 2.372 2.272 2.489 . 0 0 "[ . 1 . 2]" 1
194 1 38 LYS H 1 38 LYS QD . . 3.305 2.602 2.444 2.761 . 0 0 "[ . 1 . 2]" 1
195 1 38 LYS H 1 38 LYS QG 3.731 . 3.731 3.769 3.730 3.811 0.080 4 0 "[ . 1 . 2]" 1
196 1 38 LYS H 1 39 LEU QD 5.391 . 5.391 5.232 4.816 5.444 0.053 2 0 "[ . 1 . 2]" 1
197 1 38 LYS H 1 46 VAL HA 3.507 . 3.507 3.644 3.575 3.707 0.200 19 0 "[ . 1 . 2]" 1
198 1 38 LYS H 1 46 VAL HB 4.596 . 4.596 3.508 3.088 3.906 . 0 0 "[ . 1 . 2]" 1
199 1 38 LYS H 1 46 VAL QG 4.946 . 4.946 4.006 3.763 4.191 . 0 0 "[ . 1 . 2]" 1
200 1 38 LYS H 1 47 SER H 3.429 . 3.429 2.432 2.088 2.603 . 0 0 "[ . 1 . 2]" 1
201 1 38 LYS H 1 47 SER QB 3.924 . 3.924 3.352 3.011 3.704 . 0 0 "[ . 1 . 2]" 1
202 1 38 LYS H 1 48 PHE QB . . 3.919 3.861 3.081 4.054 0.135 4 0 "[ . 1 . 2]" 1
203 1 38 LYS HA 1 38 LYS QG 3.972 . 3.972 2.494 2.293 2.669 . 0 0 "[ . 1 . 2]" 1
204 1 38 LYS HA 1 39 LEU H 2.767 . 2.767 2.179 2.020 2.360 . 0 0 "[ . 1 . 2]" 1
205 1 38 LYS HA 1 47 SER H 4.230 . 4.230 4.252 4.187 4.323 0.093 19 0 "[ . 1 . 2]" 1
206 1 38 LYS QB 1 39 LEU H 3.852 . 3.852 3.740 3.594 3.873 0.021 6 0 "[ . 1 . 2]" 1
207 1 38 LYS QB 1 40 ASN H 4.354 . 4.354 4.188 3.803 4.393 0.039 20 0 "[ . 1 . 2]" 1
208 1 38 LYS QB 1 46 VAL HA 4.329 . 4.329 3.662 3.417 3.910 . 0 0 "[ . 1 . 2]" 1
209 1 38 LYS QB 1 47 SER H 3.923 . 3.923 2.236 1.920 2.584 . 0 0 "[ . 1 . 2]" 1
210 1 38 LYS QB 1 47 SER QB 3.854 . 3.854 1.941 1.830 2.119 . 0 0 "[ . 1 . 2]" 1
211 1 38 LYS QD 1 39 LEU H 4.547 . 4.547 4.531 4.367 4.623 0.076 3 0 "[ . 1 . 2]" 1
212 1 38 LYS QD 1 47 SER H 3.911 . 3.911 3.901 3.779 4.001 0.090 13 0 "[ . 1 . 2]" 1
213 1 38 LYS QD 1 47 SER QB 3.951 . 3.951 2.579 2.161 2.991 . 0 0 "[ . 1 . 2]" 1
214 1 38 LYS QD 1 54 LEU QD 3.666 . 3.666 2.948 2.447 3.683 0.017 15 0 "[ . 1 . 2]" 1
215 1 39 LEU H 1 39 LEU QB 3.130 . 3.130 2.056 1.943 2.208 . 0 0 "[ . 1 . 2]" 1
216 1 39 LEU H 1 39 LEU QD 4.438 . 4.438 3.499 3.277 3.666 . 0 0 "[ . 1 . 2]" 1
217 1 39 LEU H 1 39 LEU HG 3.807 . 3.807 3.452 2.770 4.031 0.224 3 0 "[ . 1 . 2]" 1
218 1 39 LEU QB 1 40 ASN H . . 4.451 3.643 3.320 3.876 . 0 0 "[ . 1 . 2]" 1
219 1 39 LEU QB 1 40 ASN HA 4.391 . 4.391 4.372 4.220 4.446 0.055 13 0 "[ . 1 . 2]" 1
220 1 39 LEU QB 1 46 VAL QG 5.084 . 5.084 3.393 2.584 3.918 . 0 0 "[ . 1 . 2]" 1
221 1 39 LEU QD 1 40 ASN H 4.360 . 4.360 3.272 2.774 3.763 . 0 0 "[ . 1 . 2]" 1
222 1 39 LEU QD 1 44 GLN H 5.253 . 5.253 4.956 3.946 5.293 0.040 4 0 "[ . 1 . 2]" 1
223 1 39 LEU QD 1 45 GLU H 5.099 . 5.099 4.383 3.589 5.115 0.016 4 0 "[ . 1 . 2]" 1
224 1 39 LEU QD 1 46 VAL HA 4.999 . 4.999 3.944 3.680 4.320 . 0 0 "[ . 1 . 2]" 1
225 1 39 LEU QD 1 46 VAL HB 4.648 . 4.648 4.073 3.751 4.632 . 0 0 "[ . 1 . 2]" 1
226 1 40 ASN H 1 40 ASN QB . . 3.663 2.352 2.196 2.507 . 0 0 "[ . 1 . 2]" 1
227 1 40 ASN H 1 41 ASN H 4.643 . 4.643 4.254 3.779 4.654 0.011 13 0 "[ . 1 . 2]" 1
228 1 40 ASN H 1 45 GLU H 4.024 . 4.024 3.709 3.271 4.040 0.016 4 0 "[ . 1 . 2]" 1
229 1 40 ASN H 1 46 VAL HA 4.132 . 4.132 3.123 2.793 3.378 . 0 0 "[ . 1 . 2]" 1
230 1 40 ASN H 1 46 VAL QG 4.993 . 4.993 3.388 2.945 3.740 . 0 0 "[ . 1 . 2]" 1
231 1 40 ASN HA 1 41 ASN H 3.200 . 3.200 2.189 2.064 2.404 . 0 0 "[ . 1 . 2]" 1
232 1 40 ASN HA 1 42 PRO QD 4.190 . 4.190 3.589 3.110 4.198 0.008 10 0 "[ . 1 . 2]" 1
233 1 40 ASN QB 1 41 ASN H 4.474 . 4.474 3.697 3.228 3.967 . 0 0 "[ . 1 . 2]" 1
234 1 40 ASN QB 1 43 ARG QG . . 4.262 3.744 2.432 4.362 0.100 1 0 "[ . 1 . 2]" 1
235 1 40 ASN QB 1 44 GLN H 4.383 . 4.383 3.701 2.742 4.481 0.098 6 0 "[ . 1 . 2]" 1
236 1 40 ASN QB 1 45 GLU H 4.012 . 4.012 2.882 2.443 3.547 . 0 0 "[ . 1 . 2]" 1
237 1 40 ASN QB 1 45 GLU QB 3.972 . 3.972 2.881 2.115 4.012 0.040 8 0 "[ . 1 . 2]" 1
238 1 40 ASN QB 1 46 VAL HA 4.784 . 4.784 4.277 3.801 4.799 0.015 3 0 "[ . 1 . 2]" 1
239 1 41 ASN H 1 41 ASN QB 3.611 . 3.611 2.324 2.188 2.665 . 0 0 "[ . 1 . 2]" 1
240 1 41 ASN H 1 42 PRO QD 3.642 . 3.642 2.568 2.197 2.798 . 0 0 "[ . 1 . 2]" 1
241 1 41 ASN QB 1 42 PRO QD 4.161 . 4.161 1.997 1.849 2.241 . 0 0 "[ . 1 . 2]" 1
242 1 41 ASN QB 1 42 PRO QG 4.048 . 4.048 3.550 2.958 4.066 0.018 11 0 "[ . 1 . 2]" 1
243 1 41 ASN QB 1 43 ARG H 4.407 . 4.407 4.445 4.334 4.520 0.113 20 0 "[ . 1 . 2]" 1
244 1 42 PRO HA 1 42 PRO QG 3.321 . 3.321 3.121 2.836 3.454 0.133 11 0 "[ . 1 . 2]" 1
245 1 42 PRO HA 1 43 ARG H 4.666 . 4.666 3.382 3.291 3.466 . 0 0 "[ . 1 . 2]" 1
246 1 42 PRO QB 1 43 ARG H . . 3.388 3.234 2.956 3.454 0.066 2 0 "[ . 1 . 2]" 1
247 1 42 PRO QD 1 43 ARG H 4.497 . 4.497 2.703 2.012 3.065 . 0 0 "[ . 1 . 2]" 1
248 1 42 PRO QG 1 43 ARG H 4.167 . 4.167 3.669 2.557 4.212 0.045 6 0 "[ . 1 . 2]" 1
249 1 43 ARG H 1 43 ARG QG . . 4.143 3.175 2.266 4.166 0.023 6 0 "[ . 1 . 2]" 1
250 1 43 ARG H 1 44 GLN H 2.778 . 2.778 2.426 1.985 2.952 0.174 6 0 "[ . 1 . 2]" 1
251 1 43 ARG H 1 45 GLU H 4.117 . 4.117 3.950 3.616 4.169 0.052 2 0 "[ . 1 . 2]" 1
252 1 43 ARG HA 1 44 GLN H 3.527 . 3.527 2.924 1.977 3.517 . 0 0 "[ . 1 . 2]" 1
253 1 43 ARG QB 1 44 GLN H 3.734 . 3.734 3.342 2.551 3.806 0.072 2 0 "[ . 1 . 2]" 1
254 1 43 ARG QB 1 45 GLU H 4.339 . 4.339 3.447 2.352 4.372 0.033 10 0 "[ . 1 . 2]" 1
255 1 43 ARG QG 1 44 GLN H 4.241 . 4.241 4.102 3.586 4.289 0.048 14 0 "[ . 1 . 2]" 1
256 1 43 ARG QG 1 45 GLU H 4.488 . 4.488 4.103 3.061 4.624 0.136 13 0 "[ . 1 . 2]" 1
257 1 44 GLN H 1 44 GLN HA 2.690 . 2.690 2.474 2.115 2.867 0.177 11 0 "[ . 1 . 2]" 1
258 1 44 GLN H 1 44 GLN QB 3.098 . 3.098 2.910 2.440 3.263 0.165 15 0 "[ . 1 . 2]" 1
259 1 44 GLN H 1 44 GLN QG 3.141 . 3.141 2.776 1.828 3.077 . 0 0 "[ . 1 . 2]" 1
260 1 44 GLN H 1 45 GLU H 3.006 . 3.006 2.458 1.795 3.331 0.325 2 0 "[ . 1 . 2]" 1
261 1 44 GLN HA 1 45 GLU H . . 3.405 2.904 2.223 3.405 . 1 0 "[ . 1 . 2]" 1
262 1 44 GLN QB 1 45 GLU H 4.029 . 4.029 3.637 3.191 3.878 . 0 0 "[ . 1 . 2]" 1
263 1 45 GLU H 1 45 GLU QB 3.645 . 3.645 2.589 2.337 2.858 . 0 0 "[ . 1 . 2]" 1
264 1 45 GLU H 1 46 VAL H 4.572 . 4.572 4.275 4.114 4.510 . 0 0 "[ . 1 . 2]" 1
265 1 45 GLU HA 1 45 GLU QG . . 3.825 2.495 2.277 3.312 . 0 0 "[ . 1 . 2]" 1
266 1 45 GLU HA 1 46 VAL H 2.883 . 2.883 2.139 2.025 2.310 . 0 0 "[ . 1 . 2]" 1
267 1 45 GLU HA 1 57 LEU H 4.828 . 4.828 4.597 4.256 4.841 0.013 11 0 "[ . 1 . 2]" 1
268 1 45 GLU HA 1 58 LYS HA 3.528 . 3.528 2.185 1.988 2.513 . 0 0 "[ . 1 . 2]" 1
269 1 45 GLU HA 1 59 GLN H 4.215 . 4.215 3.351 2.945 3.850 . 0 0 "[ . 1 . 2]" 1
270 1 45 GLU QB 1 46 VAL H 3.497 . 3.497 3.043 2.509 3.604 0.107 20 0 "[ . 1 . 2]" 1
271 1 45 GLU QG 1 46 VAL H 4.215 . 4.215 3.039 2.340 3.666 . 0 0 "[ . 1 . 2]" 1
272 1 45 GLU QG 1 57 LEU H 4.312 . 4.312 4.158 3.484 4.440 0.128 8 0 "[ . 1 . 2]" 1
273 1 46 VAL H 1 46 VAL HB 3.814 . 3.814 3.813 3.736 3.864 0.050 11 0 "[ . 1 . 2]" 1
274 1 46 VAL H 1 46 VAL QG . . 3.745 2.163 2.046 2.282 . 0 0 "[ . 1 . 2]" 1
275 1 46 VAL H 1 56 HIS QB . . 4.347 4.075 3.572 4.385 0.038 3 0 "[ . 1 . 2]" 1
276 1 46 VAL H 1 57 LEU H 3.685 . 3.685 2.913 2.520 3.131 . 0 0 "[ . 1 . 2]" 1
277 1 46 VAL H 1 57 LEU QB 4.370 . 4.370 3.642 3.237 3.970 . 0 0 "[ . 1 . 2]" 1
278 1 46 VAL H 1 57 LEU QD 5.065 . 5.065 4.340 4.050 4.618 . 0 0 "[ . 1 . 2]" 1
279 1 46 VAL H 1 59 GLN H 4.857 . 4.857 4.906 4.599 4.982 0.125 20 0 "[ . 1 . 2]" 1
280 1 46 VAL HA 1 47 SER H 2.830 . 2.830 2.048 1.994 2.122 . 0 0 "[ . 1 . 2]" 1
281 1 46 VAL HB 1 47 SER H 3.294 . 3.294 3.065 2.676 3.331 0.037 15 0 "[ . 1 . 2]" 1
282 1 46 VAL HB 1 48 PHE H 4.685 . 4.685 4.695 4.628 4.740 0.055 20 0 "[ . 1 . 2]" 1
283 1 46 VAL HB 1 57 LEU QD 5.084 . 5.084 4.138 3.877 4.456 . 0 0 "[ . 1 . 2]" 1
284 1 46 VAL QG 1 47 SER H 4.059 . 4.059 3.447 3.266 3.587 . 0 0 "[ . 1 . 2]" 1
285 1 46 VAL QG 1 57 LEU H . . 4.169 2.581 2.342 2.843 . 0 0 "[ . 1 . 2]" 1
286 1 46 VAL QG 1 57 LEU QB 4.111 . 4.111 2.038 1.879 2.312 . 0 0 "[ . 1 . 2]" 1
287 1 46 VAL QG 1 57 LEU QD 4.483 . 4.483 2.250 1.980 2.508 . 0 0 "[ . 1 . 2]" 1
288 1 46 VAL QG 1 58 LYS H 5.289 . 5.289 4.238 3.811 4.514 . 0 0 "[ . 1 . 2]" 1
289 1 46 VAL QG 1 68 TYR H 5.208 . 5.208 4.310 4.049 4.516 . 0 0 "[ . 1 . 2]" 1
290 1 46 VAL QG 1 68 TYR QB 4.324 . 4.324 1.939 1.844 2.052 . 0 0 "[ . 1 . 2]" 1
291 1 47 SER H 1 47 SER QB 3.493 . 3.493 2.639 2.501 2.786 . 0 0 "[ . 1 . 2]" 1
292 1 47 SER H 1 48 PHE H 4.541 . 4.541 4.181 4.037 4.292 . 0 0 "[ . 1 . 2]" 1
293 1 47 SER H 1 56 HIS QB 5.084 . 5.084 4.579 4.133 4.939 . 0 0 "[ . 1 . 2]" 1
294 1 47 SER H 1 57 LEU QD 5.119 . 5.119 5.150 4.981 5.240 0.121 14 0 "[ . 1 . 2]" 1
295 1 47 SER HA 1 48 PHE H . . 2.853 2.084 2.020 2.144 . 0 0 "[ . 1 . 2]" 1
296 1 47 SER HA 1 55 LEU H 5.065 . 5.065 4.271 4.002 4.473 . 0 0 "[ . 1 . 2]" 1
297 1 47 SER HA 1 57 LEU H 3.757 . 3.757 3.402 3.260 3.618 . 0 0 "[ . 1 . 2]" 1
298 1 47 SER HA 1 57 LEU QD 4.763 . 4.763 3.634 3.463 4.228 . 0 0 "[ . 1 . 2]" 1
299 1 47 SER QB 1 48 PHE H . . 3.184 3.253 3.221 3.286 0.102 19 0 "[ . 1 . 2]" 1
300 1 47 SER QB 1 54 LEU QD . . 3.934 3.216 2.468 3.828 . 0 0 "[ . 1 . 2]" 1
301 1 47 SER QB 1 55 LEU H 4.828 . 4.828 4.328 3.778 4.833 0.005 4 0 "[ . 1 . 2]" 1
302 1 48 PHE H 1 49 VAL H 4.205 . 4.205 4.292 4.218 4.345 0.140 9 0 "[ . 1 . 2]" 1
303 1 48 PHE H 1 54 LEU HA 4.287 . 4.287 4.279 3.986 4.378 0.091 20 0 "[ . 1 . 2]" 1
304 1 48 PHE H 1 54 LEU QD . . 4.045 3.744 3.287 4.067 0.022 16 0 "[ . 1 . 2]" 1
305 1 48 PHE H 1 55 LEU H 3.608 . 3.608 2.911 2.762 3.059 . 0 0 "[ . 1 . 2]" 1
306 1 48 PHE H 1 55 LEU QD 5.467 . 5.467 3.958 2.936 5.089 . 0 0 "[ . 1 . 2]" 1
307 1 48 PHE H 1 56 HIS QB 4.455 . 4.455 4.456 4.215 4.585 0.130 9 0 "[ . 1 . 2]" 1
308 1 48 PHE H 1 57 LEU H 4.546 . 4.546 4.411 3.947 4.667 0.121 13 0 "[ . 1 . 2]" 1
309 1 48 PHE QB 1 49 VAL H . . 3.222 2.704 1.889 3.257 0.035 10 0 "[ . 1 . 2]" 1
310 1 48 PHE QB 1 49 VAL QG . . 4.028 3.815 3.032 4.271 0.243 4 0 "[ . 1 . 2]" 1
311 1 49 VAL H 1 49 VAL HB 2.880 . 2.880 2.760 2.559 2.899 0.019 6 0 "[ . 1 . 2]" 1
312 1 49 VAL H 1 50 TYR H 3.983 . 3.983 4.111 4.062 4.139 0.156 20 0 "[ . 1 . 2]" 1
313 1 49 VAL HA 1 50 TYR H 2.628 . 2.628 1.949 1.871 2.148 . 0 0 "[ . 1 . 2]" 1
314 1 49 VAL HA 1 50 TYR QB 4.805 . 4.805 3.995 3.772 4.363 . 0 0 "[ . 1 . 2]" 1
315 1 49 VAL HA 1 53 GLN H 4.034 . 4.034 3.675 3.346 3.932 . 0 0 "[ . 1 . 2]" 1
316 1 49 VAL HA 1 53 GLN QG 4.502 . 4.502 4.363 3.925 4.576 0.074 16 0 "[ . 1 . 2]" 1
317 1 49 VAL HA 1 54 LEU HA 3.677 . 3.677 2.286 2.051 2.589 . 0 0 "[ . 1 . 2]" 1
318 1 49 VAL HA 1 54 LEU QD 3.842 . 3.842 2.126 1.916 2.683 . 0 0 "[ . 1 . 2]" 1
319 1 49 VAL HA 1 55 LEU H 3.657 . 3.657 3.560 3.281 3.700 0.043 1 0 "[ . 1 . 2]" 1
320 1 49 VAL HB 1 54 LEU QD 3.682 . 3.682 2.104 1.821 3.800 0.118 9 0 "[ . 1 . 2]" 1
321 1 49 VAL QG 1 50 TYR H 3.375 . 3.375 2.943 2.781 3.181 . 0 0 "[ . 1 . 2]" 1
322 1 49 VAL QG 1 50 TYR QB 4.605 . 4.605 3.995 3.539 4.502 . 0 0 "[ . 1 . 2]" 1
323 1 49 VAL QG 1 52 ASN H . . 3.689 3.398 2.273 3.665 . 0 0 "[ . 1 . 2]" 1
324 1 49 VAL QG 1 52 ASN HA 3.663 . 3.663 2.934 2.549 3.520 . 0 0 "[ . 1 . 2]" 1
325 1 49 VAL QG 1 53 GLN H 3.577 . 3.577 2.529 2.175 2.902 . 0 0 "[ . 1 . 2]" 1
326 1 49 VAL QG 1 54 LEU HA 3.951 . 3.951 3.566 3.321 3.965 0.014 1 0 "[ . 1 . 2]" 1
327 1 49 VAL QG 1 54 LEU HG 4.398 . 4.398 4.346 3.213 4.527 0.129 12 0 "[ . 1 . 2]" 1
328 1 50 TYR H 1 50 TYR QB . . 3.692 2.322 2.110 2.716 . 0 0 "[ . 1 . 2]" 1
329 1 50 TYR H 1 51 ASP HA 4.951 . 4.951 4.979 4.772 5.138 0.187 20 0 "[ . 1 . 2]" 1
330 1 50 TYR H 1 53 GLN H 3.292 . 3.292 3.270 2.854 3.370 0.078 7 0 "[ . 1 . 2]" 1
331 1 50 TYR H 1 53 GLN QG 4.407 . 4.407 3.353 2.777 4.162 . 0 0 "[ . 1 . 2]" 1
332 1 50 TYR H 1 54 LEU HA 3.593 . 3.593 3.133 2.659 3.494 . 0 0 "[ . 1 . 2]" 1
333 1 50 TYR H 1 54 LEU QD 3.886 . 3.886 3.635 3.364 3.927 0.041 3 0 "[ . 1 . 2]" 1
334 1 50 TYR H 1 55 LEU H 3.772 . 3.772 3.771 3.637 3.863 0.091 4 0 "[ . 1 . 2]" 1
335 1 50 TYR H 1 55 LEU QD 4.582 . 4.582 3.064 2.240 4.662 0.080 5 0 "[ . 1 . 2]" 1
336 1 50 TYR HA 1 51 ASP H 4.391 . 4.391 3.345 2.270 3.521 . 0 0 "[ . 1 . 2]" 1
337 1 50 TYR HA 1 51 ASP QB 4.366 . 4.366 4.360 3.923 4.473 0.107 14 0 "[ . 1 . 2]" 1
338 1 50 TYR HA 1 91 VAL QG 3.144 . 3.144 3.068 2.493 3.310 0.166 14 0 "[ . 1 . 2]" 1
339 1 50 TYR QB 1 51 ASP H 4.648 . 4.648 2.738 1.922 3.892 . 0 0 "[ . 1 . 2]" 1
340 1 50 TYR QB 1 55 LEU QD . . 4.284 2.170 1.855 4.179 . 0 0 "[ . 1 . 2]" 1
341 1 51 ASP H 1 52 ASN H 4.164 . 4.164 2.506 1.980 3.608 . 0 0 "[ . 1 . 2]" 1
342 1 51 ASP QB 1 52 ASN H 4.252 . 4.252 2.315 1.922 3.920 . 0 0 "[ . 1 . 2]" 1
343 1 52 ASN H 1 52 ASN QB 3.533 . 3.533 2.703 2.525 3.188 . 0 0 "[ . 1 . 2]" 1
344 1 52 ASN H 1 53 GLN H 3.241 . 3.241 2.229 1.982 2.823 . 0 0 "[ . 1 . 2]" 1
345 1 52 ASN H 1 53 GLN QG 4.779 . 4.779 3.137 2.536 4.519 . 0 0 "[ . 1 . 2]" 1
346 1 52 ASN HA 1 53 GLN H 3.193 . 3.193 3.063 2.744 3.260 0.067 3 0 "[ . 1 . 2]" 1
347 1 52 ASN QB 1 53 GLN H 4.014 . 4.014 3.827 3.666 4.067 0.053 5 0 "[ . 1 . 2]" 1
348 1 53 GLN H 1 53 GLN QB 3.390 . 3.390 3.146 2.999 3.267 . 0 0 "[ . 1 . 2]" 1
349 1 53 GLN H 1 53 GLN QG 2.926 . 2.926 2.531 2.270 2.818 . 0 0 "[ . 1 . 2]" 1
350 1 53 GLN H 1 54 LEU H 4.354 . 4.354 4.135 4.046 4.230 . 0 0 "[ . 1 . 2]" 1
351 1 53 GLN H 1 54 LEU HA 4.057 . 4.057 4.188 4.139 4.233 0.176 3 0 "[ . 1 . 2]" 1
352 1 53 GLN H 1 54 LEU QD 4.976 . 4.976 3.554 3.239 4.369 . 0 0 "[ . 1 . 2]" 1
353 1 53 GLN H 1 55 LEU QD 5.575 . 5.575 4.732 4.213 5.684 0.109 5 0 "[ . 1 . 2]" 1
354 1 53 GLN HA 1 53 GLN QG 3.233 . 3.233 3.300 3.280 3.354 0.121 13 0 "[ . 1 . 2]" 1
355 1 53 GLN HA 1 54 LEU H . . 2.511 2.257 2.152 2.358 . 0 0 "[ . 1 . 2]" 1
356 1 53 GLN HA 1 54 LEU QB 4.081 . 4.081 4.132 4.101 4.173 0.092 7 0 "[ . 1 . 2]" 1
357 1 53 GLN QB 1 54 LEU H 3.951 . 3.951 2.558 2.223 2.747 . 0 0 "[ . 1 . 2]" 1
358 1 53 GLN QG 1 54 LEU H 3.351 . 3.351 3.368 3.120 3.436 0.085 8 0 "[ . 1 . 2]" 1
359 1 53 GLN QG 1 55 LEU H 4.714 . 4.714 4.412 4.006 4.671 . 0 0 "[ . 1 . 2]" 1
360 1 54 LEU H 1 54 LEU QB . . 2.981 2.386 2.260 2.542 . 0 0 "[ . 1 . 2]" 1
361 1 54 LEU H 1 54 LEU QD 3.971 . 3.971 2.685 2.308 3.469 . 0 0 "[ . 1 . 2]" 1
362 1 54 LEU HA 1 54 LEU QD 3.456 . 3.456 2.119 2.050 2.714 . 0 0 "[ . 1 . 2]" 1
363 1 54 LEU HA 1 55 LEU H . . 2.761 2.190 2.050 2.265 . 0 0 "[ . 1 . 2]" 1
364 1 54 LEU QB 1 55 LEU H . . 3.084 3.075 2.763 3.148 0.064 9 0 "[ . 1 . 2]" 1
365 1 54 LEU QD 1 55 LEU H . . 3.732 3.454 3.280 3.833 0.101 10 0 "[ . 1 . 2]" 1
366 1 55 LEU H 1 55 LEU QB . . 3.124 2.799 2.223 3.200 0.076 15 0 "[ . 1 . 2]" 1
367 1 55 LEU H 1 55 LEU QD 4.236 . 4.236 2.346 1.773 3.852 0.027 9 0 "[ . 1 . 2]" 1
368 1 55 LEU H 1 55 LEU HG 4.366 . 4.366 4.158 3.213 4.514 0.148 3 0 "[ . 1 . 2]" 1
369 1 55 LEU HA 1 56 HIS H . . 2.493 2.439 2.222 2.543 0.050 15 0 "[ . 1 . 2]" 1
370 1 55 LEU QB 1 56 HIS H . . 3.392 2.401 2.011 3.497 0.105 5 0 "[ . 1 . 2]" 1
371 1 55 LEU QB 1 72 ILE QG . . 4.605 3.642 2.471 4.632 0.027 3 0 "[ . 1 . 2]" 1
372 1 55 LEU QD 1 56 HIS H 4.749 . 4.749 3.211 1.802 4.140 . 0 0 "[ . 1 . 2]" 1
373 1 55 LEU QD 1 57 LEU QD 5.179 . 5.179 2.914 1.965 3.877 . 0 0 "[ . 1 . 2]" 1
374 1 55 LEU QD 1 72 ILE QG 4.448 . 4.448 2.417 1.898 3.503 . 0 0 "[ . 1 . 2]" 1
375 1 55 LEU HG 1 56 HIS H . . 4.141 4.087 2.780 4.276 0.135 13 0 "[ . 1 . 2]" 1
376 1 55 LEU HG 1 72 ILE HB 4.306 . 4.306 4.018 3.049 4.432 0.126 11 0 "[ . 1 . 2]" 1
377 1 56 HIS H 1 56 HIS QB . . 3.186 3.071 2.722 3.226 0.040 2 0 "[ . 1 . 2]" 1
378 1 56 HIS H 1 57 LEU H 4.269 . 4.269 4.278 4.127 4.357 0.088 4 0 "[ . 1 . 2]" 1
379 1 56 HIS HA 1 57 LEU H 3.669 . 3.669 2.029 1.956 2.133 . 0 0 "[ . 1 . 2]" 1
380 1 56 HIS QB 1 57 LEU H 3.831 . 3.831 2.869 2.403 3.226 . 0 0 "[ . 1 . 2]" 1
381 1 57 LEU H 1 57 LEU QB 3.463 . 3.463 2.672 2.515 2.911 . 0 0 "[ . 1 . 2]" 1
382 1 57 LEU H 1 57 LEU QD . . 4.223 2.430 2.131 3.380 . 0 0 "[ . 1 . 2]" 1
383 1 57 LEU H 1 58 LYS H 4.492 . 4.492 4.374 4.200 4.462 . 0 0 "[ . 1 . 2]" 1
384 1 57 LEU HA 1 57 LEU QD 3.608 . 3.608 2.895 2.156 3.129 . 0 0 "[ . 1 . 2]" 1
385 1 57 LEU HA 1 58 LYS H 2.612 . 2.612 2.293 2.149 2.438 . 0 0 "[ . 1 . 2]" 1
386 1 57 LEU HA 1 69 THR H 4.241 . 4.241 4.276 4.139 4.343 0.102 6 0 "[ . 1 . 2]" 1
387 1 57 LEU HA 1 70 ASP H 4.106 . 4.106 3.882 3.140 4.147 0.041 3 0 "[ . 1 . 2]" 1
388 1 57 LEU QB 1 58 LYS H 3.568 . 3.568 2.434 2.165 2.637 . 0 0 "[ . 1 . 2]" 1
389 1 57 LEU QB 1 58 LYS QB 4.458 . 4.458 4.530 4.382 4.600 0.142 8 0 "[ . 1 . 2]" 1
390 1 57 LEU QB 1 68 TYR H 4.458 . 4.458 4.520 4.293 4.631 0.173 4 0 "[ . 1 . 2]" 1
391 1 57 LEU QB 1 68 TYR HA 3.223 . 3.223 3.317 3.252 3.382 0.159 10 0 "[ . 1 . 2]" 1
392 1 57 LEU QB 1 69 THR H . . 3.764 2.789 2.663 2.964 . 0 0 "[ . 1 . 2]" 1
393 1 57 LEU QB 1 69 THR HA . . 4.002 2.621 2.350 2.824 . 0 0 "[ . 1 . 2]" 1
394 1 57 LEU QD 1 58 LYS H . . 4.133 3.891 3.441 4.130 . 0 0 "[ . 1 . 2]" 1
395 1 57 LEU QD 1 68 TYR HA 5.146 . 5.146 4.398 4.214 4.864 . 0 0 "[ . 1 . 2]" 1
396 1 57 LEU QD 1 68 TYR QB 3.693 . 3.693 3.010 2.710 3.436 . 0 0 "[ . 1 . 2]" 1
397 1 57 LEU QD 1 69 THR H 4.651 . 4.651 3.836 3.641 4.181 . 0 0 "[ . 1 . 2]" 1
398 1 57 LEU QD 1 69 THR HA 3.781 . 3.781 1.928 1.809 2.404 . 0 0 "[ . 1 . 2]" 1
399 1 57 LEU QD 1 70 ASP H . . 3.725 2.287 1.787 2.907 0.013 4 0 "[ . 1 . 2]" 1
400 1 57 LEU QD 1 70 ASP HA 4.465 . 4.465 4.369 3.802 4.567 0.102 17 0 "[ . 1 . 2]" 1
401 1 57 LEU QD 1 70 ASP QB . . 4.124 3.006 2.103 3.501 . 0 0 "[ . 1 . 2]" 1
402 1 57 LEU QD 1 73 TYR H 4.267 . 4.267 3.062 2.105 3.996 . 0 0 "[ . 1 . 2]" 1
403 1 57 LEU QD 1 75 PHE QB 4.284 . 4.284 2.204 1.868 2.972 . 0 0 "[ . 1 . 2]" 1
404 1 57 LEU HG 1 58 LYS H 4.324 . 4.324 4.342 4.206 4.509 0.185 14 0 "[ . 1 . 2]" 1
405 1 57 LEU HG 1 70 ASP H 4.536 . 4.536 3.273 2.118 4.573 0.037 14 0 "[ . 1 . 2]" 1
406 1 58 LYS H 1 58 LYS QB . . 2.972 2.899 2.655 3.044 0.072 16 0 "[ . 1 . 2]" 1
407 1 58 LYS H 1 58 LYS QG 3.409 . 3.409 2.432 2.026 3.377 . 0 0 "[ . 1 . 2]" 1
408 1 58 LYS H 1 59 GLN H 4.598 . 4.598 4.297 4.155 4.461 . 0 0 "[ . 1 . 2]" 1
409 1 58 LYS H 1 68 TYR QB 4.609 . 4.609 3.643 3.275 4.041 . 0 0 "[ . 1 . 2]" 1
410 1 58 LYS H 1 69 THR H 3.265 . 3.265 2.564 2.109 2.849 . 0 0 "[ . 1 . 2]" 1
411 1 58 LYS H 1 69 THR HA 4.327 . 4.327 4.108 3.430 4.362 0.035 11 0 "[ . 1 . 2]" 1
412 1 58 LYS H 1 70 ASP QB . . 3.929 3.339 2.173 3.898 . 0 0 "[ . 1 . 2]" 1
413 1 58 LYS HA 1 58 LYS QD 4.532 . 4.532 4.075 3.574 4.372 . 0 0 "[ . 1 . 2]" 1
414 1 58 LYS HA 1 58 LYS QG 3.395 . 3.395 3.282 2.135 3.441 0.046 20 0 "[ . 1 . 2]" 1
415 1 58 LYS HA 1 59 GLN H 3.020 . 3.020 2.171 1.997 2.283 . 0 0 "[ . 1 . 2]" 1
416 1 58 LYS QB 1 69 THR H 4.577 . 4.577 4.590 3.506 4.767 0.190 20 0 "[ . 1 . 2]" 1
417 1 58 LYS QD 1 59 GLN H 4.152 . 4.152 4.261 4.183 4.375 0.223 8 0 "[ . 1 . 2]" 1
418 1 58 LYS QG 1 59 GLN H 3.960 . 3.960 3.611 3.189 3.899 . 0 0 "[ . 1 . 2]" 1
419 1 58 LYS QG 1 68 TYR HA 4.547 . 4.547 4.355 4.172 4.788 0.241 12 0 "[ . 1 . 2]" 1
420 1 58 LYS QG 1 69 THR H 4.312 . 4.312 3.590 3.158 4.423 0.111 12 0 "[ . 1 . 2]" 1
421 1 59 GLN H 1 59 GLN QB 3.194 . 3.194 2.293 2.161 2.397 . 0 0 "[ . 1 . 2]" 1
422 1 59 GLN H 1 59 GLN QG 4.034 . 4.034 4.005 3.811 4.086 0.052 16 0 "[ . 1 . 2]" 1
423 1 59 GLN H 1 60 GLY H 4.158 . 4.158 4.129 3.534 4.251 0.093 1 0 "[ . 1 . 2]" 1
424 1 59 GLN H 1 68 TYR QB 4.329 . 4.329 4.314 4.143 4.416 0.087 8 0 "[ . 1 . 2]" 1
425 1 59 GLN H 1 69 THR H 4.984 . 4.984 4.731 4.533 4.971 . 0 0 "[ . 1 . 2]" 1
426 1 59 GLN HA 1 59 GLN QG . . 3.958 2.531 2.387 3.255 . 0 0 "[ . 1 . 2]" 1
427 1 59 GLN HA 1 60 GLY H . . 2.864 1.970 1.906 2.199 . 0 0 "[ . 1 . 2]" 1
428 1 59 GLN HA 1 67 ARG H 3.944 . 3.944 3.906 3.455 4.050 0.106 16 0 "[ . 1 . 2]" 1
429 1 59 GLN HA 1 68 TYR H 4.814 . 4.814 4.284 4.038 4.567 . 0 0 "[ . 1 . 2]" 1
430 1 59 GLN HA 1 68 TYR HA 3.424 . 3.424 2.351 2.113 2.657 . 0 0 "[ . 1 . 2]" 1
431 1 59 GLN HA 1 69 THR H 3.805 . 3.805 3.597 3.397 3.815 0.010 15 0 "[ . 1 . 2]" 1
432 1 59 GLN QB 1 60 GLY H 3.645 . 3.645 3.741 3.659 3.803 0.158 2 0 "[ . 1 . 2]" 1
433 1 59 GLN QB 1 68 TYR H 4.879 . 4.879 4.861 4.321 4.993 0.114 6 0 "[ . 1 . 2]" 1
434 1 59 GLN QB 1 68 TYR HA 4.517 . 4.517 3.567 3.344 3.774 . 0 0 "[ . 1 . 2]" 1
435 1 59 GLN QG 1 60 GLY H 4.431 . 4.431 3.244 2.723 3.831 . 0 0 "[ . 1 . 2]" 1
436 1 59 GLN QG 1 67 ARG H 3.791 . 3.791 2.759 2.230 3.864 0.073 15 0 "[ . 1 . 2]" 1
437 1 60 GLY H 1 61 ILE H 4.648 . 4.648 3.209 1.760 4.346 0.040 16 0 "[ . 1 . 2]" 1
438 1 60 GLY H 1 61 ILE MD 5.520 . 5.520 5.015 4.221 5.604 0.084 10 0 "[ . 1 . 2]" 1
439 1 60 GLY H 1 69 THR H 4.138 . 4.138 3.747 3.371 4.201 0.063 9 0 "[ . 1 . 2]" 1
440 1 60 GLY QA 1 61 ILE H 3.431 . 3.431 2.328 2.061 2.826 . 0 0 "[ . 1 . 2]" 1
441 1 61 ILE H 1 61 ILE HB 3.253 . 3.253 2.703 2.466 3.345 0.092 11 0 "[ . 1 . 2]" 1
442 1 61 ILE H 1 61 ILE QG . . 3.784 3.244 2.097 3.946 0.162 6 0 "[ . 1 . 2]" 1
443 1 61 ILE H 1 61 ILE QG 4.061 . 4.061 2.814 1.830 3.519 . 0 0 "[ . 1 . 2]" 1
444 1 61 ILE HA 1 61 ILE QG 3.754 . 3.754 2.562 2.362 3.013 . 0 0 "[ . 1 . 2]" 1
445 1 61 ILE HA 1 61 ILE QG 3.355 . 3.355 2.273 2.134 2.773 . 0 0 "[ . 1 . 2]" 1
446 1 61 ILE HA 1 62 SER H 3.057 . 3.057 2.297 2.035 3.092 0.035 11 0 "[ . 1 . 2]" 1
447 1 61 ILE HB 1 62 SER H 4.403 . 4.403 4.224 3.672 4.453 0.050 9 0 "[ . 1 . 2]" 1
448 1 61 ILE QG 1 62 SER H 4.492 . 4.492 3.069 2.442 3.889 . 0 0 "[ . 1 . 2]" 1
449 1 61 ILE QG 1 62 SER QB 4.306 . 4.306 4.310 3.990 4.410 0.104 13 0 "[ . 1 . 2]" 1
450 1 61 ILE QG 1 63 ALA H 5.364 . 5.364 4.294 2.197 5.370 0.006 11 0 "[ . 1 . 2]" 1
451 1 62 SER HA 1 67 ARG QD 4.002 . 4.002 2.762 1.925 4.036 0.034 8 0 "[ . 1 . 2]" 1
452 1 62 SER QB 1 63 ALA H . . 4.746 3.026 1.896 4.019 . 0 0 "[ . 1 . 2]" 1
453 1 62 SER QB 1 66 ALA HA 4.341 . 4.341 2.988 1.927 4.440 0.099 4 0 "[ . 1 . 2]" 1
454 1 62 SER QB 1 67 ARG QD 4.580 . 4.580 4.033 2.277 4.662 0.082 18 0 "[ . 1 . 2]" 1
455 1 62 SER QB 1 67 ARG QG 3.625 . 3.625 3.446 2.769 3.726 0.101 8 0 "[ . 1 . 2]" 1
456 1 63 ALA H 1 63 ALA HA 2.581 . 2.581 2.709 2.276 2.812 0.231 1 0 "[ . 1 . 2]" 1
457 1 63 ALA H 1 67 ARG QB 4.295 . 4.295 4.110 3.379 4.428 0.133 6 0 "[ . 1 . 2]" 1
458 1 63 ALA HA 1 64 SER H 3.972 . 3.972 3.365 2.269 3.581 . 0 0 "[ . 1 . 2]" 1
459 1 64 SER QB 1 76 TRP HE1 4.212 . 4.212 3.368 2.713 4.241 0.029 7 0 "[ . 1 . 2]" 1
460 1 65 GLY QA 1 66 ALA H . . 2.920 2.093 2.038 2.137 . 0 0 "[ . 1 . 2]" 1
461 1 65 GLY QA 1 76 TRP HE1 3.437 . 3.437 2.040 1.791 2.488 0.009 7 0 "[ . 1 . 2]" 1
462 1 65 GLY QA 1 77 SER H 4.048 . 4.048 4.136 4.089 4.198 0.150 13 0 "[ . 1 . 2]" 1
463 1 65 GLY QA 1 78 LYS QB 4.209 . 4.209 3.866 2.214 4.277 0.068 9 0 "[ . 1 . 2]" 1
464 1 65 GLY QA 1 78 LYS QG 4.161 . 4.161 3.737 3.010 4.243 0.082 1 0 "[ . 1 . 2]" 1
465 1 66 ALA H 1 66 ALA MB 3.122 . 3.122 2.518 2.176 2.706 . 0 0 "[ . 1 . 2]" 1
466 1 66 ALA H 1 67 ARG H 4.126 . 4.126 3.874 3.640 4.132 0.006 16 0 "[ . 1 . 2]" 1
467 1 66 ALA H 1 67 ARG HA 3.637 . 3.637 3.816 3.753 3.957 0.320 4 0 "[ . 1 . 2]" 1
468 1 66 ALA H 1 76 TRP HA 4.507 . 4.507 3.984 3.706 4.239 . 0 0 "[ . 1 . 2]" 1
469 1 66 ALA H 1 76 TRP HE1 3.844 . 3.844 3.312 3.007 3.656 . 0 0 "[ . 1 . 2]" 1
470 1 66 ALA H 1 77 SER QB . . 4.320 3.300 2.719 3.713 . 0 0 "[ . 1 . 2]" 1
471 1 66 ALA HA 1 77 SER QB 4.487 . 4.487 4.537 4.372 4.592 0.105 8 0 "[ . 1 . 2]" 1
472 1 66 ALA MB 1 67 ARG H 3.240 . 3.240 3.174 2.977 3.342 0.102 12 0 "[ . 1 . 2]" 1
473 1 66 ALA MB 1 68 TYR H 4.717 . 4.717 4.486 4.177 4.762 0.045 5 0 "[ . 1 . 2]" 1
474 1 66 ALA MB 1 76 TRP HA 5.362 . 5.362 4.701 4.525 5.007 . 0 0 "[ . 1 . 2]" 1
475 1 66 ALA MB 1 76 TRP HE1 5.124 . 5.124 5.184 5.145 5.251 0.127 10 0 "[ . 1 . 2]" 1
476 1 66 ALA MB 1 77 SER H 4.115 . 4.115 3.362 3.167 3.826 . 0 0 "[ . 1 . 2]" 1
477 1 67 ARG H 1 67 ARG QD 4.487 . 4.487 4.228 1.790 4.598 0.111 17 0 "[ . 1 . 2]" 1
478 1 67 ARG H 1 67 ARG QG 4.696 . 4.696 3.107 2.272 4.066 . 0 0 "[ . 1 . 2]" 1
479 1 67 ARG H 1 68 TYR H 4.180 . 4.180 4.073 3.866 4.209 0.029 1 0 "[ . 1 . 2]" 1
480 1 67 ARG HA 1 68 TYR H . . 2.780 2.211 2.101 2.454 . 0 0 "[ . 1 . 2]" 1
481 1 67 ARG HA 1 76 TRP HA 4.613 . 4.613 2.516 2.248 2.964 . 0 0 "[ . 1 . 2]" 1
482 1 67 ARG HA 1 77 SER H 3.685 . 3.685 3.128 2.889 3.567 . 0 0 "[ . 1 . 2]" 1
483 1 67 ARG QB 1 68 TYR H 4.199 . 4.199 3.482 3.122 4.101 . 0 0 "[ . 1 . 2]" 1
484 1 68 TYR H 1 68 TYR QB . . 3.703 2.433 2.373 2.595 . 0 0 "[ . 1 . 2]" 1
485 1 68 TYR H 1 69 THR HA 4.827 . 4.827 4.854 4.684 4.908 0.081 6 0 "[ . 1 . 2]" 1
486 1 68 TYR H 1 76 TRP HA . . 3.986 3.507 3.287 3.974 . 0 0 "[ . 1 . 2]" 1
487 1 68 TYR H 1 77 SER QB 4.417 . 4.417 4.388 4.219 4.483 0.066 4 0 "[ . 1 . 2]" 1
488 1 68 TYR HA 1 69 THR H 3.011 . 3.011 2.070 2.011 2.126 . 0 0 "[ . 1 . 2]" 1
489 1 68 TYR QB 1 69 THR H . . 3.981 3.399 3.263 3.544 . 0 0 "[ . 1 . 2]" 1
490 1 68 TYR QB 1 75 PHE H 4.404 . 4.404 3.848 3.578 4.204 . 0 0 "[ . 1 . 2]" 1
491 1 69 THR H 1 69 THR HB 3.940 . 3.940 2.824 2.565 2.963 . 0 0 "[ . 1 . 2]" 1
492 1 69 THR HA 1 70 ASP H . . 3.315 2.220 2.135 2.320 . 0 0 "[ . 1 . 2]" 1
493 1 69 THR HA 1 70 ASP QB 4.563 . 4.563 4.111 3.971 4.307 . 0 0 "[ . 1 . 2]" 1
494 1 69 THR HA 1 75 PHE H 4.786 . 4.786 2.913 2.603 3.138 . 0 0 "[ . 1 . 2]" 1
495 1 69 THR HB 1 70 ASP H 4.101 . 4.101 4.046 3.801 4.137 0.036 9 0 "[ . 1 . 2]" 1
496 1 69 THR HB 1 70 ASP HA 4.547 . 4.547 4.583 4.411 4.656 0.109 5 0 "[ . 1 . 2]" 1
497 1 69 THR HB 1 74 VAL HA 4.025 . 4.025 4.071 3.995 4.138 0.113 1 0 "[ . 1 . 2]" 1
498 1 69 THR HB 1 75 PHE H 4.613 . 4.613 4.677 4.624 4.779 0.166 10 0 "[ . 1 . 2]" 1
499 1 69 THR MG 1 70 ASP H 4.588 . 4.588 2.531 2.106 2.743 . 0 0 "[ . 1 . 2]" 1
500 1 69 THR MG 1 70 ASP HA 4.985 . 4.985 3.501 3.063 3.863 . 0 0 "[ . 1 . 2]" 1
501 1 69 THR MG 1 71 GLY H . . 3.721 2.646 1.868 3.804 0.083 2 0 "[ . 1 . 2]" 1
502 1 69 THR MG 1 71 GLY QA 5.303 . 5.303 3.155 2.633 4.116 . 0 0 "[ . 1 . 2]" 1
503 1 69 THR MG 1 75 PHE H 4.324 . 4.324 3.683 3.390 4.189 . 0 0 "[ . 1 . 2]" 1
504 1 70 ASP H 1 71 GLY H 3.213 . 3.213 2.242 1.800 3.113 0.000 13 0 "[ . 1 . 2]" 1
505 1 70 ASP H 1 72 ILE HB 4.926 . 4.926 4.764 4.118 5.003 0.077 11 0 "[ . 1 . 2]" 1
506 1 70 ASP H 1 73 TYR H 4.399 . 4.399 3.546 3.147 4.040 . 0 0 "[ . 1 . 2]" 1
507 1 70 ASP HA 1 71 GLY H 3.689 . 3.689 3.223 2.315 3.529 . 0 0 "[ . 1 . 2]" 1
508 1 70 ASP QB 1 71 GLY H 4.577 . 4.577 3.054 1.797 4.017 0.003 6 0 "[ . 1 . 2]" 1
509 1 70 ASP QB 1 72 ILE H 4.063 . 4.063 3.303 2.576 4.100 0.037 8 0 "[ . 1 . 2]" 1
510 1 71 GLY H 1 72 ILE H 3.232 . 3.232 2.406 1.754 3.332 0.100 8 0 "[ . 1 . 2]" 1
511 1 71 GLY H 1 73 TYR H 4.403 . 4.403 3.456 2.688 4.458 0.055 15 0 "[ . 1 . 2]" 1
512 1 71 GLY QA 1 72 ILE H . . 3.579 2.762 2.589 2.945 . 0 0 "[ . 1 . 2]" 1
513 1 72 ILE H 1 72 ILE HB 3.931 . 3.931 2.611 2.332 2.867 . 0 0 "[ . 1 . 2]" 1
514 1 72 ILE H 1 72 ILE MD 3.874 . 3.874 2.926 1.750 3.933 0.059 6 0 "[ . 1 . 2]" 1
515 1 72 ILE H 1 72 ILE QG 3.514 . 3.514 2.585 1.893 3.562 0.048 10 0 "[ . 1 . 2]" 1
516 1 72 ILE H 1 73 TYR H 3.004 . 3.004 2.471 2.244 2.696 . 0 0 "[ . 1 . 2]" 1
517 1 72 ILE H 1 73 TYR HA 4.864 . 4.864 4.849 4.301 4.981 0.117 15 0 "[ . 1 . 2]" 1
518 1 72 ILE HA 1 72 ILE MD 4.032 . 4.032 3.020 2.110 3.955 . 0 0 "[ . 1 . 2]" 1
519 1 72 ILE HA 1 72 ILE QG 3.724 . 3.724 2.702 2.415 3.115 . 0 0 "[ . 1 . 2]" 1
520 1 72 ILE HA 1 73 TYR H 4.399 . 4.399 3.519 3.432 3.589 . 0 0 "[ . 1 . 2]" 1
521 1 72 ILE HB 1 72 ILE MD 3.523 . 3.523 2.711 2.329 3.267 . 0 0 "[ . 1 . 2]" 1
522 1 72 ILE HB 1 73 TYR H . . 3.343 2.337 1.930 2.850 . 0 0 "[ . 1 . 2]" 1
523 1 72 ILE HB 1 73 TYR HA 4.805 . 4.805 4.724 4.529 4.954 0.149 11 0 "[ . 1 . 2]" 1
524 1 72 ILE QG 1 73 TYR H 3.955 . 3.955 3.146 2.800 3.433 . 0 0 "[ . 1 . 2]" 1
525 1 72 ILE QG 1 73 TYR HA 5.248 . 5.248 4.119 3.331 4.343 . 0 0 "[ . 1 . 2]" 1
526 1 72 ILE QG 1 73 TYR H 4.577 . 4.577 3.943 3.579 4.577 0.000 11 0 "[ . 1 . 2]" 1
527 1 72 ILE MG 1 73 TYR QB 4.685 . 4.685 3.674 3.024 4.069 . 0 0 "[ . 1 . 2]" 1
528 1 73 TYR H 1 73 TYR QB 3.611 . 3.611 2.884 2.289 3.414 . 0 0 "[ . 1 . 2]" 1
529 1 73 TYR HA 1 74 VAL H 2.991 . 2.991 2.354 2.207 2.490 . 0 0 "[ . 1 . 2]" 1
530 1 73 TYR HA 1 74 VAL QG 4.431 . 4.431 3.257 3.136 3.457 . 0 0 "[ . 1 . 2]" 1
531 1 73 TYR HA 1 86 LYS H 3.715 . 3.715 3.908 3.811 4.009 0.294 10 0 "[ . 1 . 2]" 1
532 1 73 TYR HA 1 86 LYS HA 3.937 . 3.937 3.320 2.650 3.823 . 0 0 "[ . 1 . 2]" 1
533 1 73 TYR HA 1 91 VAL QG 4.827 . 4.827 4.900 4.706 5.167 0.340 10 0 "[ . 1 . 2]" 1
534 1 73 TYR QB 1 74 VAL H . . 3.446 2.149 1.925 2.336 . 0 0 "[ . 1 . 2]" 1
535 1 73 TYR QB 1 74 VAL HB 4.017 . 4.017 4.167 4.100 4.329 0.312 10 0 "[ . 1 . 2]" 1
536 1 74 VAL H 1 74 VAL HB . . 3.627 2.250 2.154 2.404 . 0 0 "[ . 1 . 2]" 1
537 1 74 VAL H 1 74 VAL QG 3.867 . 3.867 2.596 2.401 2.851 . 0 0 "[ . 1 . 2]" 1
538 1 74 VAL H 1 75 PHE H 4.478 . 4.478 4.120 3.993 4.289 . 0 0 "[ . 1 . 2]" 1
539 1 74 VAL H 1 85 TYR H 3.659 . 3.659 3.193 2.921 3.577 . 0 0 "[ . 1 . 2]" 1
540 1 74 VAL H 1 86 LYS HA 4.135 . 4.135 3.333 2.847 4.016 . 0 0 "[ . 1 . 2]" 1
541 1 74 VAL H 1 91 VAL QG 5.230 . 5.230 4.928 4.634 5.254 0.024 10 0 "[ . 1 . 2]" 1
542 1 74 VAL HB 1 85 TYR H 4.032 . 4.032 2.779 2.433 3.075 . 0 0 "[ . 1 . 2]" 1
543 1 74 VAL HB 1 86 LYS H 4.444 . 4.444 4.469 4.191 4.575 0.131 15 0 "[ . 1 . 2]" 1
544 1 74 VAL QG 1 75 PHE H . . 3.868 3.093 2.819 3.241 . 0 0 "[ . 1 . 2]" 1
545 1 74 VAL QG 1 75 PHE HA 3.972 . 3.972 3.759 3.536 3.886 . 0 0 "[ . 1 . 2]" 1
546 1 74 VAL QG 1 76 TRP H 4.296 . 4.296 3.615 3.014 4.290 . 0 0 "[ . 1 . 2]" 1
547 1 74 VAL QG 1 76 TRP HA 5.162 . 5.162 3.934 3.575 4.384 . 0 0 "[ . 1 . 2]" 1
548 1 74 VAL QG 1 76 TRP QB 4.509 . 4.509 2.696 2.133 3.201 . 0 0 "[ . 1 . 2]" 1
549 1 74 VAL QG 1 85 TYR HA 5.516 . 5.516 4.894 4.692 5.143 . 0 0 "[ . 1 . 2]" 1
550 1 74 VAL QG 1 87 ARG H 5.099 . 5.099 3.942 3.550 4.501 . 0 0 "[ . 1 . 2]" 1
551 1 75 PHE H 1 75 PHE HA 3.068 . 3.068 2.915 2.897 2.950 . 0 0 "[ . 1 . 2]" 1
552 1 75 PHE H 1 75 PHE QB . . 3.737 2.336 2.268 2.429 . 0 0 "[ . 1 . 2]" 1
553 1 75 PHE H 1 76 TRP H 4.690 . 4.690 4.226 3.975 4.417 . 0 0 "[ . 1 . 2]" 1
554 1 75 PHE H 1 84 VAL HA 4.704 . 4.704 4.642 4.411 4.794 0.090 10 0 "[ . 1 . 2]" 1
555 1 75 PHE HA 1 76 TRP H 2.911 . 2.911 2.136 2.087 2.197 . 0 0 "[ . 1 . 2]" 1
556 1 75 PHE HA 1 84 VAL QG 4.921 . 4.921 2.446 2.095 2.816 . 0 0 "[ . 1 . 2]" 1
557 1 75 PHE QB 1 76 TRP H . . 4.561 3.832 3.066 4.012 . 0 0 "[ . 1 . 2]" 1
558 1 76 TRP H 1 76 TRP QB . . 3.291 2.339 2.214 2.517 . 0 0 "[ . 1 . 2]" 1
559 1 76 TRP H 1 77 SER H 3.936 . 3.936 4.052 3.959 4.090 0.154 19 0 "[ . 1 . 2]" 1
560 1 76 TRP H 1 82 ALA MB 4.980 . 4.980 4.656 4.460 4.987 0.007 3 0 "[ . 1 . 2]" 1
561 1 76 TRP H 1 83 THR H 3.335 . 3.335 3.255 2.977 3.386 0.051 12 0 "[ . 1 . 2]" 1
562 1 76 TRP H 1 84 VAL HA 3.974 . 3.974 3.003 2.598 3.521 . 0 0 "[ . 1 . 2]" 1
563 1 76 TRP H 1 84 VAL QG 4.331 . 4.331 3.699 3.198 4.197 . 0 0 "[ . 1 . 2]" 1
564 1 76 TRP H 1 85 TYR H 4.546 . 4.546 4.203 3.798 4.571 0.025 3 0 "[ . 1 . 2]" 1
565 1 76 TRP HA 1 76 TRP HE1 4.740 . 4.740 4.398 4.114 4.582 . 0 0 "[ . 1 . 2]" 1
566 1 76 TRP HA 1 77 SER H . . 2.883 1.910 1.849 2.008 . 0 0 "[ . 1 . 2]" 1
567 1 76 TRP QB 1 77 SER H 3.519 . 3.519 3.617 3.586 3.677 0.158 9 0 "[ . 1 . 2]" 1
568 1 76 TRP QB 1 83 THR H 3.916 . 3.916 3.385 2.850 3.781 . 0 0 "[ . 1 . 2]" 1
569 1 76 TRP QB 1 83 THR HB 4.921 . 4.921 3.285 2.244 4.932 0.011 6 0 "[ . 1 . 2]" 1
570 1 76 TRP QB 1 83 THR MG 4.921 . 4.921 3.447 2.003 4.181 . 0 0 "[ . 1 . 2]" 1
571 1 76 TRP HE1 1 77 SER H 4.483 . 4.483 4.439 4.217 4.559 0.076 7 0 "[ . 1 . 2]" 1
572 1 76 TRP HE1 1 78 LYS QD 4.152 . 4.152 3.756 2.631 4.256 0.104 7 0 "[ . 1 . 2]" 1
573 1 77 SER H 1 77 SER QB . . 3.480 2.390 2.318 2.449 . 0 0 "[ . 1 . 2]" 1
574 1 77 SER H 1 78 LYS H 4.746 . 4.746 4.168 3.905 4.342 . 0 0 "[ . 1 . 2]" 1
575 1 77 SER HA 1 78 LYS H 3.793 . 3.793 2.175 2.076 2.261 . 0 0 "[ . 1 . 2]" 1
576 1 77 SER HA 1 82 ALA HA 4.458 . 4.458 2.438 2.107 2.677 . 0 0 "[ . 1 . 2]" 1
577 1 77 SER QB 1 78 LYS H 3.960 . 3.960 3.859 3.559 3.981 0.021 20 0 "[ . 1 . 2]" 1
578 1 77 SER QB 1 82 ALA MB . . 4.563 3.800 3.243 4.179 . 0 0 "[ . 1 . 2]" 1
579 1 78 LYS H 1 78 LYS QB 3.533 . 3.533 2.387 2.135 3.190 . 0 0 "[ . 1 . 2]" 1
580 1 78 LYS H 1 78 LYS QD 4.112 . 4.112 4.036 2.554 4.233 0.121 17 0 "[ . 1 . 2]" 1
581 1 78 LYS H 1 81 GLU H 3.796 . 3.796 3.497 3.058 3.804 0.008 6 0 "[ . 1 . 2]" 1
582 1 78 LYS H 1 81 GLU QB 4.740 . 4.740 4.579 2.921 4.820 0.080 7 0 "[ . 1 . 2]" 1
583 1 78 LYS H 1 81 GLU QG 4.714 . 4.714 3.357 2.898 4.774 0.060 3 0 "[ . 1 . 2]" 1
584 1 78 LYS H 1 82 ALA HA 3.423 . 3.423 3.020 2.537 3.359 . 0 0 "[ . 1 . 2]" 1
585 1 78 LYS H 1 82 ALA MB 4.502 . 4.502 4.125 3.338 4.523 0.021 20 0 "[ . 1 . 2]" 1
586 1 78 LYS H 1 83 THR H 4.362 . 4.362 4.334 4.076 4.484 0.122 14 0 "[ . 1 . 2]" 1
587 1 78 LYS HA 1 78 LYS QD 4.404 . 4.404 3.535 1.902 4.312 . 0 0 "[ . 1 . 2]" 1
588 1 78 LYS QB 1 78 LYS QD 3.026 . 3.026 2.185 1.999 2.364 . 0 0 "[ . 1 . 2]" 1
589 1 79 GLY QA 1 80 ASP H 4.312 . 4.312 2.373 2.072 2.644 . 0 0 "[ . 1 . 2]" 1
590 1 79 GLY QA 1 81 GLU H 4.309 . 4.309 3.668 3.305 3.893 . 0 0 "[ . 1 . 2]" 1
591 1 80 ASP H 1 81 GLU H 4.265 . 4.265 2.123 1.846 2.400 . 0 0 "[ . 1 . 2]" 1
592 1 80 ASP H 1 81 GLU HA 4.743 . 4.743 4.743 4.391 4.872 0.129 9 0 "[ . 1 . 2]" 1
593 1 80 ASP QB 1 81 GLU H 4.272 . 4.272 3.310 2.553 3.883 . 0 0 "[ . 1 . 2]" 1
594 1 80 ASP QB 1 97 LEU H 4.366 . 4.366 3.732 2.904 4.445 0.079 19 0 "[ . 1 . 2]" 1
595 1 81 GLU H 1 81 GLU QB 3.084 . 3.084 3.011 2.580 3.130 0.046 15 0 "[ . 1 . 2]" 1
596 1 81 GLU H 1 81 GLU QG 3.222 . 3.222 2.337 2.074 2.933 . 0 0 "[ . 1 . 2]" 1
597 1 81 GLU H 1 82 ALA H 4.343 . 4.343 4.297 4.235 4.344 0.001 17 0 "[ . 1 . 2]" 1
598 1 81 GLU H 1 82 ALA HA 4.561 . 4.561 4.621 4.564 4.670 0.109 4 0 "[ . 1 . 2]" 1
599 1 81 GLU H 1 97 LEU H 4.746 . 4.746 4.551 4.258 4.756 0.010 11 0 "[ . 1 . 2]" 1
600 1 81 GLU H 1 97 LEU QB 4.626 . 4.626 4.519 4.196 4.676 0.050 2 0 "[ . 1 . 2]" 1
601 1 81 GLU HA 1 81 GLU QG 3.257 . 3.257 3.231 2.445 3.402 0.145 4 0 "[ . 1 . 2]" 1
602 1 81 GLU HA 1 82 ALA H . . 2.588 2.253 2.131 2.393 . 0 0 "[ . 1 . 2]" 1
603 1 81 GLU HA 1 82 ALA MB 5.342 . 5.342 3.759 3.638 3.915 . 0 0 "[ . 1 . 2]" 1
604 1 81 GLU HA 1 95 CYS H 4.387 . 4.387 4.408 4.074 4.554 0.167 13 0 "[ . 1 . 2]" 1
605 1 81 GLU HA 1 96 GLN HA 3.944 . 3.944 2.259 1.826 2.715 . 0 0 "[ . 1 . 2]" 1
606 1 81 GLU HA 1 97 LEU H 4.034 . 4.034 3.122 2.775 3.417 . 0 0 "[ . 1 . 2]" 1
607 1 81 GLU QB 1 81 GLU QG 2.442 . 2.442 2.050 1.983 2.068 . 0 0 "[ . 1 . 2]" 1
608 1 81 GLU QB 1 82 ALA H 3.221 . 3.221 2.629 2.167 2.946 . 0 0 "[ . 1 . 2]" 1
609 1 81 GLU QB 1 95 CYS H 4.598 . 4.598 3.991 3.407 4.554 . 0 0 "[ . 1 . 2]" 1
610 1 82 ALA H 1 82 ALA MB 3.554 . 3.554 2.514 2.397 2.599 . 0 0 "[ . 1 . 2]" 1
611 1 82 ALA H 1 83 THR H 3.993 . 3.993 4.085 4.037 4.146 0.153 16 0 "[ . 1 . 2]" 1
612 1 82 ALA H 1 83 THR HA 4.714 . 4.714 4.642 4.522 4.730 0.016 1 0 "[ . 1 . 2]" 1
613 1 82 ALA H 1 95 CYS H 3.608 . 3.608 3.142 2.927 3.304 . 0 0 "[ . 1 . 2]" 1
614 1 82 ALA HA 1 83 THR H . . 2.663 2.121 2.044 2.280 . 0 0 "[ . 1 . 2]" 1
615 1 82 ALA MB 1 83 THR H 3.081 . 3.081 2.933 2.663 3.124 0.043 9 0 "[ . 1 . 2]" 1
616 1 82 ALA MB 1 83 THR HA 5.342 . 5.342 3.995 3.855 4.202 . 0 0 "[ . 1 . 2]" 1
617 1 82 ALA MB 1 95 CYS H 4.139 . 4.139 4.143 3.955 4.215 0.076 12 0 "[ . 1 . 2]" 1
618 1 83 THR H 1 83 THR HB 3.183 . 3.183 2.849 2.560 3.213 0.030 6 0 "[ . 1 . 2]" 1
619 1 83 THR H 1 83 THR MG 4.318 . 4.318 3.477 2.174 3.943 . 0 0 "[ . 1 . 2]" 1
620 1 83 THR H 1 84 VAL H 4.753 . 4.753 4.306 4.117 4.479 . 0 0 "[ . 1 . 2]" 1
621 1 83 THR H 1 84 VAL QG 5.575 . 5.575 4.232 3.669 4.948 . 0 0 "[ . 1 . 2]" 1
622 1 83 THR HA 1 83 THR MG 3.484 . 3.484 2.564 2.238 3.175 . 0 0 "[ . 1 . 2]" 1
623 1 83 THR HA 1 84 VAL H . . 2.598 2.275 2.103 2.472 . 0 0 "[ . 1 . 2]" 1
624 1 83 THR HA 1 84 VAL QG 3.873 . 3.873 3.385 3.101 3.730 . 0 0 "[ . 1 . 2]" 1
625 1 83 THR HA 1 90 ILE QG 5.362 . 5.362 4.544 4.043 4.885 . 0 0 "[ . 1 . 2]" 1
626 1 83 THR HB 1 84 VAL H 4.196 . 4.196 4.083 3.855 4.234 0.038 8 0 "[ . 1 . 2]" 1
627 1 83 THR MG 1 84 VAL H . . 3.172 2.847 2.319 3.320 0.148 6 0 "[ . 1 . 2]" 1
628 1 83 THR MG 1 95 CYS H 5.497 . 5.497 5.496 4.932 5.641 0.144 6 0 "[ . 1 . 2]" 1
629 1 84 VAL H 1 84 VAL HB 3.501 . 3.501 3.008 2.581 3.601 0.100 10 0 "[ . 1 . 2]" 1
630 1 84 VAL H 1 84 VAL QG 3.709 . 3.709 2.426 1.927 2.914 . 0 0 "[ . 1 . 2]" 1
631 1 84 VAL H 1 85 TYR H 4.588 . 4.588 4.007 3.793 4.290 . 0 0 "[ . 1 . 2]" 1
632 1 84 VAL H 1 90 ILE QG 4.492 . 4.492 3.279 2.982 3.577 . 0 0 "[ . 1 . 2]" 1
633 1 84 VAL H 1 91 VAL H 4.205 . 4.205 4.227 4.011 4.382 0.177 10 0 "[ . 1 . 2]" 1
634 1 84 VAL H 1 91 VAL QG 4.577 . 4.577 4.422 4.114 4.713 0.136 6 0 "[ . 1 . 2]" 1
635 1 84 VAL H 1 92 LEU H 3.652 . 3.652 3.278 2.973 3.614 . 0 0 "[ . 1 . 2]" 1
636 1 84 VAL H 1 92 LEU QB . . 3.848 3.140 2.558 3.695 . 0 0 "[ . 1 . 2]" 1
637 1 84 VAL H 1 93 ASN HA 4.399 . 4.399 3.208 2.858 3.575 . 0 0 "[ . 1 . 2]" 1
638 1 84 VAL H 1 93 ASN QB 4.240 . 4.240 4.103 3.470 4.342 0.102 17 0 "[ . 1 . 2]" 1
639 1 84 VAL HA 1 85 TYR H . . 2.991 2.080 1.858 2.260 . 0 0 "[ . 1 . 2]" 1
640 1 84 VAL HA 1 85 TYR QB 4.318 . 4.318 3.918 3.505 4.404 0.086 13 0 "[ . 1 . 2]" 1
641 1 84 VAL HA 1 91 VAL QG 5.590 . 5.590 4.491 4.261 5.028 . 0 0 "[ . 1 . 2]" 1
642 1 84 VAL HB 1 85 TYR H 5.020 . 5.020 4.163 3.107 4.424 . 0 0 "[ . 1 . 2]" 1
643 1 84 VAL HB 1 91 VAL QG 4.289 . 4.289 3.000 2.000 4.185 . 0 0 "[ . 1 . 2]" 1
644 1 84 VAL HB 1 92 LEU QB . . 4.098 3.336 2.006 4.251 0.153 14 0 "[ . 1 . 2]" 1
645 1 84 VAL QG 1 85 TYR H . . 3.548 3.021 2.794 3.345 . 0 0 "[ . 1 . 2]" 1
646 1 84 VAL QG 1 86 LYS H 4.080 . 4.080 3.909 3.618 4.165 0.085 10 0 "[ . 1 . 2]" 1
647 1 84 VAL QG 1 90 ILE HA . . 4.324 3.708 3.073 4.099 . 0 0 "[ . 1 . 2]" 1
648 1 84 VAL QG 1 90 ILE MG 4.326 . 4.326 3.670 2.785 4.298 . 0 0 "[ . 1 . 2]" 1
649 1 84 VAL QG 1 91 VAL H 3.828 . 3.828 2.795 2.089 3.218 . 0 0 "[ . 1 . 2]" 1
650 1 84 VAL QG 1 91 VAL HA 4.580 . 4.580 4.451 3.740 4.762 0.182 5 0 "[ . 1 . 2]" 1
651 1 84 VAL QG 1 91 VAL QG 3.266 . 3.266 1.853 1.746 2.067 0.054 3 0 "[ . 1 . 2]" 1
652 1 84 VAL QG 1 92 LEU H . . 3.754 2.818 1.945 3.650 . 0 0 "[ . 1 . 2]" 1
653 1 84 VAL QG 1 92 LEU QB 4.630 . 4.630 2.061 1.775 2.384 0.025 3 0 "[ . 1 . 2]" 1
654 1 85 TYR H 1 85 TYR QB 3.566 . 3.566 2.490 2.269 3.141 . 0 0 "[ . 1 . 2]" 1
655 1 85 TYR H 1 91 VAL QG 5.497 . 5.497 4.842 4.646 5.244 . 0 0 "[ . 1 . 2]" 1
656 1 85 TYR HA 1 86 LYS H 5.038 . 5.038 2.285 2.126 2.601 . 0 0 "[ . 1 . 2]" 1
657 1 85 TYR HA 1 90 ILE H 4.089 . 4.089 4.184 4.088 4.280 0.191 16 0 "[ . 1 . 2]" 1
658 1 85 TYR QB 1 86 LYS H 3.829 . 3.829 3.902 3.432 4.006 0.177 9 0 "[ . 1 . 2]" 1
659 1 86 LYS H 1 86 LYS QG 3.871 . 3.871 3.907 3.866 3.940 0.069 7 0 "[ . 1 . 2]" 1
660 1 86 LYS H 1 87 ARG H 4.029 . 4.029 4.243 4.214 4.284 0.255 15 0 "[ . 1 . 2]" 1
661 1 86 LYS H 1 89 ARG H 3.310 . 3.310 3.335 3.218 3.453 0.143 10 0 "[ . 1 . 2]" 1
662 1 86 LYS H 1 90 ILE H 4.164 . 4.164 4.243 4.134 4.320 0.156 5 0 "[ . 1 . 2]" 1
663 1 86 LYS H 1 90 ILE HA 4.218 . 4.218 2.927 2.739 3.096 . 0 0 "[ . 1 . 2]" 1
664 1 86 LYS H 1 90 ILE QG 4.155 . 4.155 3.847 3.481 4.163 0.008 11 0 "[ . 1 . 2]" 1
665 1 86 LYS H 1 91 VAL H 4.252 . 4.252 4.272 4.176 4.338 0.086 10 0 "[ . 1 . 2]" 1
666 1 86 LYS H 1 91 VAL QG 4.101 . 4.101 4.040 3.603 4.185 0.084 17 0 "[ . 1 . 2]" 1
667 1 86 LYS HA 1 87 ARG H . . 3.091 2.216 2.062 2.355 . 0 0 "[ . 1 . 2]" 1
668 1 86 LYS QB 1 87 ARG H 3.858 . 3.858 3.255 2.902 3.530 . 0 0 "[ . 1 . 2]" 1
669 1 86 LYS QB 1 88 ASP H 3.346 . 3.346 2.872 2.303 3.406 0.060 1 0 "[ . 1 . 2]" 1
670 1 86 LYS QB 1 89 ARG H 2.602 . 2.602 2.234 2.022 2.622 0.020 2 0 "[ . 1 . 2]" 1
671 1 86 LYS QD 1 87 ARG H 3.654 . 3.654 3.074 1.840 3.867 0.213 10 0 "[ . 1 . 2]" 1
672 1 86 LYS QG 1 87 ARG H 4.252 . 4.252 2.103 1.773 2.802 0.027 14 0 "[ . 1 . 2]" 1
673 1 86 LYS QG 1 87 ARG HA 4.921 . 4.921 4.289 3.916 4.690 . 0 0 "[ . 1 . 2]" 1
674 1 86 LYS QG 1 89 ARG H 4.746 . 4.746 3.399 2.846 4.433 . 0 0 "[ . 1 . 2]" 1
675 1 87 ARG H 1 87 ARG HA 2.924 . 2.924 2.813 2.679 2.933 0.009 11 0 "[ . 1 . 2]" 1
676 1 87 ARG H 1 87 ARG QD 4.248 . 4.248 4.091 3.211 4.398 0.150 7 0 "[ . 1 . 2]" 1
677 1 87 ARG H 1 88 ASP H 4.146 . 4.146 2.773 2.347 3.641 . 0 0 "[ . 1 . 2]" 1
678 1 87 ARG HA 1 87 ARG QD 3.898 . 3.898 3.135 1.896 4.045 0.147 13 0 "[ . 1 . 2]" 1
679 1 87 ARG HA 1 87 ARG QG . . 3.326 2.674 2.325 3.100 . 0 0 "[ . 1 . 2]" 1
680 1 87 ARG HA 1 88 ASP H 4.005 . 4.005 3.255 1.954 3.550 . 0 0 "[ . 1 . 2]" 1
681 1 87 ARG HA 1 89 ARG H 4.455 . 4.455 4.113 3.595 4.473 0.018 9 0 "[ . 1 . 2]" 1
682 1 87 ARG QB 1 88 ASP H 3.505 . 3.505 2.925 2.224 3.724 0.219 1 0 "[ . 1 . 2]" 1
683 1 87 ARG QD 1 88 ASP H 4.516 . 4.516 4.260 3.266 4.684 0.168 17 0 "[ . 1 . 2]" 1
684 1 87 ARG QG 1 88 ASP H . . 4.335 4.025 3.259 4.431 0.096 20 0 "[ . 1 . 2]" 1
685 1 88 ASP H 1 89 ARG H 2.886 . 2.886 2.135 1.827 2.666 . 0 0 "[ . 1 . 2]" 1
686 1 88 ASP H 1 89 ARG HA 4.598 . 4.598 4.615 3.940 4.765 0.167 13 0 "[ . 1 . 2]" 1
687 1 88 ASP HA 1 89 ARG H 3.312 . 3.312 3.393 3.188 3.478 0.166 17 0 "[ . 1 . 2]" 1
688 1 88 ASP QB 1 89 ARG H 3.565 . 3.565 3.077 2.470 3.568 0.003 6 0 "[ . 1 . 2]" 1
689 1 89 ARG H 1 90 ILE H 3.615 . 3.615 3.640 3.312 3.783 0.168 14 0 "[ . 1 . 2]" 1
690 1 89 ARG H 1 90 ILE QG 4.572 . 4.572 4.432 3.967 4.605 0.033 19 0 "[ . 1 . 2]" 1
691 1 89 ARG QD 1 90 ILE H 4.492 . 4.492 3.785 2.644 4.669 0.177 15 0 "[ . 1 . 2]" 1
692 1 89 ARG QG 1 90 ILE HA 4.133 . 4.133 4.025 3.713 4.207 0.074 2 0 "[ . 1 . 2]" 1
693 1 90 ILE H 1 90 ILE HB . . 2.516 2.494 2.385 2.550 0.034 17 0 "[ . 1 . 2]" 1
694 1 90 ILE H 1 90 ILE MD 4.080 . 4.080 3.123 1.776 3.661 0.024 6 0 "[ . 1 . 2]" 1
695 1 90 ILE H 1 90 ILE QG . . 3.407 2.346 1.860 3.170 . 0 0 "[ . 1 . 2]" 1
696 1 90 ILE H 1 91 VAL QG . . 4.347 4.356 4.158 4.472 0.125 16 0 "[ . 1 . 2]" 1
697 1 90 ILE HA 1 90 ILE QG 3.860 . 3.860 2.527 2.478 2.596 . 0 0 "[ . 1 . 2]" 1
698 1 90 ILE HA 1 91 VAL H . . 3.124 2.012 1.922 2.095 . 0 0 "[ . 1 . 2]" 1
699 1 90 ILE HA 1 91 VAL QG 4.480 . 4.480 3.323 3.057 3.480 . 0 0 "[ . 1 . 2]" 1
700 1 90 ILE HA 1 92 LEU H . . 3.461 3.521 3.481 3.567 0.106 1 0 "[ . 1 . 2]" 1
701 1 90 ILE HB 1 91 VAL H 3.655 . 3.655 3.809 3.751 3.857 0.202 15 0 "[ . 1 . 2]" 1
702 1 90 ILE HB 1 93 ASN QB 4.743 . 4.743 4.318 3.705 4.763 0.020 16 0 "[ . 1 . 2]" 1
703 1 90 ILE QG 1 91 VAL H 4.125 . 4.125 2.454 2.304 2.603 . 0 0 "[ . 1 . 2]" 1
704 1 90 ILE QG 1 91 VAL HA 4.921 . 4.921 3.531 3.314 3.856 . 0 0 "[ . 1 . 2]" 1
705 1 90 ILE QG 1 92 LEU H 3.659 . 3.659 2.161 1.788 2.414 0.012 14 0 "[ . 1 . 2]" 1
706 1 90 ILE QG 1 93 ASN H 5.583 . 5.583 3.471 3.052 3.843 . 0 0 "[ . 1 . 2]" 1
707 1 90 ILE QG 1 93 ASN QB 5.146 . 5.146 1.973 1.788 2.343 0.012 11 0 "[ . 1 . 2]" 1
708 1 90 ILE QG 1 94 ASN H 5.425 . 5.425 4.907 4.603 5.224 . 0 0 "[ . 1 . 2]" 1
709 1 90 ILE QG 1 91 VAL H . . 4.152 4.080 3.940 4.218 0.066 7 0 "[ . 1 . 2]" 1
710 1 90 ILE QG 1 92 LEU H 4.721 . 4.721 4.800 4.712 4.865 0.144 3 0 "[ . 1 . 2]" 1
711 1 90 ILE MG 1 91 VAL H 4.897 . 4.897 2.474 2.320 2.628 . 0 0 "[ . 1 . 2]" 1
712 1 90 ILE MG 1 93 ASN QB 4.694 . 4.694 1.979 1.792 2.357 0.008 18 0 "[ . 1 . 2]" 1
713 1 91 VAL H 1 91 VAL HB 4.399 . 4.399 3.772 2.666 4.003 . 0 0 "[ . 1 . 2]" 1
714 1 91 VAL H 1 91 VAL QG . . 3.765 2.264 2.041 2.437 . 0 0 "[ . 1 . 2]" 1
715 1 91 VAL H 1 92 LEU H 2.804 . 2.804 1.934 1.780 2.132 0.020 16 0 "[ . 1 . 2]" 1
716 1 91 VAL HA 1 91 VAL QG 3.305 . 3.305 2.272 2.149 2.488 . 0 0 "[ . 1 . 2]" 1
717 1 91 VAL HB 1 92 LEU H 4.420 . 4.420 4.023 2.771 4.437 0.017 16 0 "[ . 1 . 2]" 1
718 1 91 VAL QG 1 92 LEU H . . 3.593 2.858 2.509 3.350 . 0 0 "[ . 1 . 2]" 1
719 1 92 LEU H 1 92 LEU QB 3.472 . 3.472 2.844 2.668 3.023 . 0 0 "[ . 1 . 2]" 1
720 1 92 LEU H 1 93 ASN H 4.331 . 4.331 3.947 3.032 4.220 . 0 0 "[ . 1 . 2]" 1
721 1 92 LEU HA 1 92 LEU HG 3.477 . 3.477 2.912 2.408 3.625 0.148 11 0 "[ . 1 . 2]" 1
722 1 92 LEU HA 1 93 ASN H . . 3.043 2.292 2.100 3.262 0.219 9 0 "[ . 1 . 2]" 1
723 1 92 LEU QB 1 93 ASN H 4.416 . 4.416 3.287 1.783 3.758 0.017 9 0 "[ . 1 . 2]" 1
724 1 92 LEU QB 1 95 CYS H 5.020 . 5.020 4.832 4.406 5.232 0.212 13 0 "[ . 1 . 2]" 1
725 1 92 LEU QD 1 93 ASN H 5.439 . 5.439 3.424 1.961 4.583 . 0 0 "[ . 1 . 2]" 1
726 1 92 LEU QD 1 94 ASN H 4.743 . 4.743 3.256 1.684 4.384 0.116 19 0 "[ . 1 . 2]" 1
727 1 93 ASN H 1 93 ASN QB . . 3.530 3.063 2.772 3.219 . 0 0 "[ . 1 . 2]" 1
728 1 93 ASN H 1 94 ASN H 4.593 . 4.593 2.160 1.882 2.533 . 0 0 "[ . 1 . 2]" 1
729 1 93 ASN HA 1 93 ASN QB 2.756 . 2.756 2.192 2.158 2.399 . 0 0 "[ . 1 . 2]" 1
730 1 93 ASN HA 1 94 ASN H 2.885 . 2.885 2.948 2.872 3.011 0.126 17 0 "[ . 1 . 2]" 1
731 1 94 ASN H 1 94 ASN HA . . 2.963 2.837 2.768 2.906 . 0 0 "[ . 1 . 2]" 1
732 1 94 ASN H 1 94 ASN QB . . 3.585 2.864 2.776 3.012 . 0 0 "[ . 1 . 2]" 1
733 1 94 ASN H 1 95 CYS H 3.065 . 3.065 3.157 3.100 3.237 0.172 8 0 "[ . 1 . 2]" 1
734 1 94 ASN HA 1 95 CYS H 2.825 . 2.825 2.205 2.008 2.556 . 0 0 "[ . 1 . 2]" 1
735 1 95 CYS H 1 96 GLN QG . . 3.289 3.421 3.334 3.624 0.335 20 0 "[ . 1 . 2]" 1
736 1 95 CYS QB 1 96 GLN H 3.383 . 3.383 3.145 2.881 3.485 0.102 17 0 "[ . 1 . 2]" 1
737 1 96 GLN H 1 96 GLN QB 3.084 . 3.084 2.696 2.574 3.172 0.088 20 0 "[ . 1 . 2]" 1
738 1 96 GLN H 1 96 GLN QG 3.371 . 3.371 3.051 2.096 3.262 . 0 0 "[ . 1 . 2]" 1
739 1 96 GLN H 1 97 LEU H 4.301 . 4.301 3.828 3.459 4.026 . 0 0 "[ . 1 . 2]" 1
740 1 96 GLN H 1 97 LEU HA 3.772 . 3.772 3.948 3.884 4.006 0.234 4 0 "[ . 1 . 2]" 1
741 1 96 GLN HA 1 96 GLN QG 3.987 . 3.987 2.408 2.297 3.119 . 0 0 "[ . 1 . 2]" 1
742 1 96 GLN HA 1 97 LEU H . . 2.722 1.930 1.783 2.189 0.017 8 0 "[ . 1 . 2]" 1
743 1 96 GLN QB 1 97 LEU H 3.986 . 3.986 3.175 2.605 3.381 . 0 0 "[ . 1 . 2]" 1
744 1 96 GLN QG 1 97 LEU H 3.808 . 3.808 3.888 3.803 4.053 0.245 8 0 "[ . 1 . 2]" 1
745 1 97 LEU H 1 97 LEU QB . . 3.001 2.195 2.008 2.389 . 0 0 "[ . 1 . 2]" 1
746 1 97 LEU H 1 97 LEU QD 4.387 . 4.387 3.709 3.521 3.856 . 0 0 "[ . 1 . 2]" 1
747 1 97 LEU HA 1 97 LEU QD 3.695 . 3.695 2.309 2.125 2.497 . 0 0 "[ . 1 . 2]" 1
748 1 97 LEU HA 1 98 GLN H . . 3.028 2.300 2.078 2.419 . 0 0 "[ . 1 . 2]" 1
749 1 97 LEU HA 1 98 GLN QB 4.972 . 4.972 4.570 4.409 4.750 . 0 0 "[ . 1 . 2]" 1
750 1 97 LEU HA 1 98 GLN QG 4.161 . 4.161 3.936 3.612 4.185 0.024 7 0 "[ . 1 . 2]" 1
751 1 97 LEU HA 1 99 ASN H 4.666 . 4.666 4.427 3.981 4.668 0.002 11 0 "[ . 1 . 2]" 1
752 1 97 LEU QB 1 98 GLN H . . 3.837 3.725 3.620 3.819 . 0 0 "[ . 1 . 2]" 1
753 1 97 LEU QD 1 98 GLN H . . 3.872 2.028 1.784 2.316 0.016 14 0 "[ . 1 . 2]" 1
754 1 97 LEU QD 1 98 GLN HA 4.246 . 4.246 3.940 3.062 4.289 0.043 5 0 "[ . 1 . 2]" 1
755 1 97 LEU QD 1 98 GLN QG 4.404 . 4.404 3.697 2.690 4.408 0.004 10 0 "[ . 1 . 2]" 1
756 1 97 LEU QD 1 99 ASN H 4.947 . 4.947 2.327 1.968 2.684 . 0 0 "[ . 1 . 2]" 1
757 1 97 LEU QD 1 100 PRO HA 3.762 . 3.762 2.346 2.168 2.664 . 0 0 "[ . 1 . 2]" 1
758 1 97 LEU QD 1 100 PRO QB 4.555 . 4.555 2.269 1.886 2.918 . 0 0 "[ . 1 . 2]" 1
759 1 97 LEU HG 1 99 ASN H 4.714 . 4.714 3.326 2.538 4.722 0.008 14 0 "[ . 1 . 2]" 1
760 1 97 LEU HG 1 100 PRO HA 4.391 . 4.391 4.423 4.226 4.480 0.089 10 0 "[ . 1 . 2]" 1
761 1 97 LEU HG 1 100 PRO QD 4.666 . 4.666 2.805 2.221 3.889 . 0 0 "[ . 1 . 2]" 1
762 1 98 GLN H 1 98 GLN QG 3.365 . 3.365 2.366 1.972 2.817 . 0 0 "[ . 1 . 2]" 1
763 1 98 GLN H 1 99 ASN H 4.556 . 4.556 2.605 2.064 3.213 . 0 0 "[ . 1 . 2]" 1
764 1 98 GLN HA 1 98 GLN QG . . 3.282 2.979 2.280 3.359 0.077 9 0 "[ . 1 . 2]" 1
765 1 98 GLN HA 1 99 ASN H 3.632 . 3.632 3.603 3.544 3.650 0.018 14 0 "[ . 1 . 2]" 1
766 1 98 GLN HA 1 99 ASN QB 4.547 . 4.547 4.393 4.214 4.564 0.017 10 0 "[ . 1 . 2]" 1
767 1 98 GLN QB 1 99 ASN H 4.444 . 4.444 2.517 1.906 3.275 . 0 0 "[ . 1 . 2]" 1
768 1 99 ASN H 1 100 PRO HA 3.831 . 3.831 3.958 3.881 4.064 0.233 10 0 "[ . 1 . 2]" 1
769 1 99 ASN H 1 100 PRO QD 4.631 . 4.631 3.745 3.361 3.966 . 0 0 "[ . 1 . 2]" 1
770 1 99 ASN HA 1 100 PRO QD . . 3.646 2.048 1.946 2.221 . 0 0 "[ . 1 . 2]" 1
771 1 99 ASN QB 1 100 PRO QD 3.825 . 3.825 3.541 2.649 3.764 . 0 0 "[ . 1 . 2]" 1
772 1 100 PRO HA 1 102 ARG H 4.305 . 4.305 4.184 3.432 4.451 0.146 1 0 "[ . 1 . 2]" 1
773 1 100 PRO QB 1 100 PRO QD . . 3.409 2.773 2.517 2.948 . 0 0 "[ . 1 . 2]" 1
774 1 100 PRO QD 1 101 GLN H 4.438 . 4.438 2.932 2.154 4.493 0.055 1 0 "[ . 1 . 2]" 1
775 1 101 GLN H 1 101 GLN HA 2.766 . 2.766 2.827 2.742 2.879 0.113 12 0 "[ . 1 . 2]" 1
776 1 101 GLN H 1 101 GLN QB 3.094 . 3.094 2.442 2.095 3.017 . 0 0 "[ . 1 . 2]" 1
777 1 101 GLN H 1 101 GLN QG . . 3.683 3.074 1.853 3.852 0.169 7 0 "[ . 1 . 2]" 1
778 1 101 GLN H 1 102 ARG H 4.014 . 4.014 3.058 1.965 3.864 . 0 0 "[ . 1 . 2]" 1
779 1 101 GLN HA 1 102 ARG H 3.219 . 3.219 2.544 1.915 3.340 0.121 1 0 "[ . 1 . 2]" 1
780 1 101 GLN HA 1 102 ARG QG 4.262 . 4.262 3.921 3.108 4.364 0.102 20 0 "[ . 1 . 2]" 1
781 1 101 GLN QB 1 102 ARG H 3.694 . 3.694 3.511 2.490 3.810 0.116 4 0 "[ . 1 . 2]" 1
782 1 101 GLN QG 1 102 ARG H 4.010 . 4.010 3.759 2.921 4.179 0.169 10 0 "[ . 1 . 2]" 1
783 1 102 ARG H 1 102 ARG HA 2.937 . 2.937 2.718 2.187 2.952 0.015 4 0 "[ . 1 . 2]" 1
784 1 102 ARG H 1 102 ARG QB . . 3.188 2.858 2.369 3.300 0.112 19 0 "[ . 1 . 2]" 1
785 1 102 ARG H 1 102 ARG QG 3.188 . 3.188 2.568 2.019 3.280 0.092 5 0 "[ . 1 . 2]" 1
786 1 102 ARG QB 1 102 ARG QD 3.436 . 3.436 2.377 2.112 2.804 . 0 0 "[ . 1 . 2]" 1
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