NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588132 |
2mni   |
19893 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mni
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 1496
_Distance_constraint_stats_list.Viol_count 1758
_Distance_constraint_stats_list.Viol_total 4596.030
_Distance_constraint_stats_list.Viol_max 1.188
_Distance_constraint_stats_list.Viol_rms 0.0519
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.1307
_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 9 ALA 0.343 0.102 15 0 "[ . 1 . 2]"
1 10 VAL 2.367 0.754 12 3 "[ -* . 1 + . 2]"
1 11 ASP 2.086 0.754 12 2 "[ - . 1 + . 2]"
1 12 VAL 0.620 0.240 18 0 "[ . 1 . 2]"
1 13 GLU 9.918 0.958 19 7 "[ - *. * 1 * .** +2]"
1 14 ILE 12.797 0.471 19 0 "[ . 1 . 2]"
1 15 HIS 0.490 0.073 6 0 "[ . 1 . 2]"
1 16 PHE 8.644 0.918 17 3 "[- . 1 . + *]"
1 17 PRO 3.899 0.391 9 0 "[ . 1 . 2]"
1 18 LEU 5.826 0.430 20 0 "[ . 1 . 2]"
1 19 LYS 8.882 0.669 4 3 "[ +. 1 - *. 2]"
1 20 ARG 4.633 0.669 4 3 "[ +. 1 - *. 2]"
1 21 ILE 12.382 0.741 6 4 "[ .+ 1 * - *]"
1 22 ALA 0.414 0.091 16 0 "[ . 1 . 2]"
1 23 ALA 4.280 0.602 20 2 "[ -. 1 . +]"
1 24 GLU 2.588 0.238 7 0 "[ . 1 . 2]"
1 25 GLY 1.065 0.574 16 1 "[ . 1 .+ 2]"
1 26 TYR 5.327 0.735 20 1 "[ . 1 . +]"
1 27 ALA 0.409 0.392 6 0 "[ . 1 . 2]"
1 28 GLU 1.010 0.574 16 1 "[ . 1 .+ 2]"
1 29 ASP 0.159 0.116 4 0 "[ . 1 . 2]"
1 30 GLU 12.016 0.962 19 9 "[ * .*- *1* * * * +2]"
1 31 LEU 12.358 0.974 16 5 "[ .* 1 *+ - *]"
1 32 LEU 18.116 0.974 16 8 "[ ** . * * - *.+* 2]"
1 33 LEU 10.497 0.962 19 6 "[ ** 1 * -+*]"
1 34 ASN 14.338 0.924 6 9 "[ * .+- *1* * * * *2]"
1 35 GLN 13.331 0.841 14 8 "[ ** * * * - +. * 2]"
1 36 MET 6.942 0.735 20 1 "[ . 1 . +]"
1 37 GLY 0.051 0.037 10 0 "[ . 1 . 2]"
1 38 LYS 3.114 0.566 14 1 "[ . 1 +. 2]"
1 39 VAL 2.392 0.221 20 0 "[ . 1 . 2]"
1 40 ASN 4.878 0.566 14 1 "[ . 1 +. 2]"
1 41 ASP 1.651 0.221 20 0 "[ . 1 . 2]"
1 42 THR 0.526 0.107 18 0 "[ . 1 . 2]"
1 43 PRO 9.533 0.759 6 4 "[ -+ 1 * . * 2]"
1 44 GLU 1.906 0.269 16 0 "[ . 1 . 2]"
1 45 GLU 5.808 0.468 5 0 "[ . 1 . 2]"
1 46 GLU 5.918 0.402 4 0 "[ . 1 . 2]"
1 47 GLY 6.543 0.759 6 4 "[ -+ 1 * . * 2]"
1 48 MET 6.032 0.259 8 0 "[ . 1 . 2]"
1 49 PRO 0.637 0.087 2 0 "[ . 1 . 2]"
1 50 LEU 3.671 0.344 11 0 "[ . 1 . 2]"
1 51 ARG 1.854 0.166 18 0 "[ . 1 . 2]"
1 52 ALA 5.219 0.269 19 0 "[ . 1 . 2]"
1 53 TRP 24.538 1.188 1 18 "[+** *******-**.*****]"
1 54 VAL 20.408 1.188 1 18 "[+** *******-**.*****]"
1 55 ILE 28.215 0.741 6 8 "[* **+ 1 * -**]"
1 56 LYS 6.172 0.628 5 4 "[- *+ 1 . *2]"
1 57 CYS 6.012 0.684 9 1 "[ . +1 . 2]"
1 58 ALA 0.049 0.031 17 0 "[ . 1 . 2]"
1 59 HIS 3.967 0.735 20 1 "[ . 1 . +]"
1 60 GLU 2.428 0.153 7 0 "[ . 1 . 2]"
1 61 ALA 0.901 0.097 6 0 "[ . 1 . 2]"
1 62 LEU 0.942 0.385 9 0 "[ . 1 . 2]"
1 63 GLU 7.554 0.723 6 4 "[ *.+ - 1 . *]"
1 64 LYS 0.590 0.504 8 1 "[ . + 1 . 2]"
1 65 ASN 6.836 0.681 12 1 "[ . 1 + . 2]"
1 66 PRO 3.219 0.723 6 1 "[ .+ 1 . 2]"
1 67 LYS 1.940 0.681 12 1 "[ . 1 + . 2]"
1 68 ILE 6.423 0.313 3 0 "[ . 1 . 2]"
1 69 ARG 1.373 0.269 16 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 3.096 0.200 20 0 "[ . 1 . 2]"
1 72 TYR 5.150 0.597 6 1 "[ .+ 1 . 2]"
1 73 LEU 8.269 0.499 20 0 "[ . 1 . 2]"
1 74 LYS 8.513 0.972 2 8 "[*+* * **1- . * 2]"
1 75 PRO 1.534 0.153 7 0 "[ . 1 . 2]"
1 76 ARG 1.341 0.202 4 0 "[ . 1 . 2]"
1 77 ALA 0.345 0.083 14 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 5.114 0.468 5 0 "[ . 1 . 2]"
1 81 SER 5.251 0.950 1 5 "[+ * - **1 . 2]"
1 82 SER 1.069 0.650 2 1 "[ + . 1 . 2]"
1 83 VAL 7.794 0.469 2 0 "[ . 1 . 2]"
1 84 GLN 6.981 0.972 2 4 "[ + .* 1- . * 2]"
1 85 PHE 2.869 0.240 18 0 "[ . 1 . 2]"
1 86 HIS 7.533 0.958 19 6 "[ - *. * 1 * . * +2]"
1 87 VAL 17.263 0.710 1 5 "[+ - . * *1 * . 2]"
1 88 ILE 5.462 0.323 13 0 "[ . 1 . 2]"
1 89 PHE 13.682 0.707 9 4 "[ - . * +1 * . 2]"
1 90 ASP 1.728 0.705 4 1 "[ +. 1 . 2]"
1 91 GLU 0.086 0.066 10 0 "[ . 1 . 2]"
1 92 GLU 0.795 0.705 4 1 "[ +. 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 88 ILE H 1 89 PHE HA 4.700 . 6.000 4.959 4.905 5.021 . 0 0 "[ . 1 . 2]" 1
2 1 89 PHE H 1 89 PHE HA 3.000 . 4.100 2.924 2.916 2.930 . 0 0 "[ . 1 . 2]" 1
3 1 89 PHE HA 1 89 PHE QD 2.700 . 3.600 2.405 2.153 2.600 . 0 0 "[ . 1 . 2]" 1
4 1 16 PHE HA 1 35 GLN QE 3.700 . 4.500 3.198 2.331 3.581 . 0 0 "[ . 1 . 2]" 1
5 1 16 PHE HA 1 16 PHE HZ 4.800 . 6.000 5.981 5.926 6.036 0.036 19 0 "[ . 1 . 2]" 1
6 1 16 PHE HA 1 90 ASP H 3.100 . 6.000 4.634 4.151 4.880 . 0 0 "[ . 1 . 2]" 1
7 1 16 PHE HA 1 16 PHE QD 2.500 . 6.000 2.154 1.913 3.079 . 0 0 "[ . 1 . 2]" 1
8 1 15 HIS H 1 16 PHE HA 3.900 . 5.800 4.951 4.709 5.129 . 0 0 "[ . 1 . 2]" 1
9 1 72 TYR HA 1 73 LEU H 2.300 . 3.000 2.105 2.011 2.185 . 0 0 "[ . 1 . 2]" 1
10 1 72 TYR H 1 72 TYR HA 2.800 . 3.800 2.943 2.932 2.951 . 0 0 "[ . 1 . 2]" 1
11 1 72 TYR HA 1 72 TYR QD 3.300 . 4.700 2.954 2.469 3.719 . 0 0 "[ . 1 . 2]" 1
12 1 85 PHE HA 1 85 PHE QD 3.100 . 4.300 2.682 1.989 3.098 . 0 0 "[ . 1 . 2]" 1
13 1 15 HIS HA 1 16 PHE QD 3.400 . 4.800 4.469 3.109 4.856 0.056 12 0 "[ . 1 . 2]" 1
14 1 15 HIS HA 1 15 HIS HD2 3.800 . 5.600 3.096 2.904 3.344 . 0 0 "[ . 1 . 2]" 1
15 1 15 HIS HA 1 16 PHE H 2.200 . 2.800 2.121 2.090 2.207 . 0 0 "[ . 1 . 2]" 1
16 1 41 ASP HA 1 48 MET H 3.200 . 6.000 5.495 4.978 5.926 . 0 0 "[ . 1 . 2]" 1
17 1 41 ASP HA 1 42 THR H 3.600 . 5.200 3.505 3.398 3.544 . 0 0 "[ . 1 . 2]" 1
18 1 13 GLU HA 1 86 HIS H 3.600 . 5.200 2.869 2.171 3.632 . 0 0 "[ . 1 . 2]" 1
19 1 47 GLY H 1 48 MET HA 3.100 . 6.000 5.063 4.844 5.203 . 0 0 "[ . 1 . 2]" 1
20 1 73 LEU HA 1 74 LYS H 2.300 . 3.000 2.171 2.071 2.259 . 0 0 "[ . 1 . 2]" 1
21 1 70 GLU HA 1 89 PHE H 3.000 . 4.100 2.751 2.451 2.986 . 0 0 "[ . 1 . 2]" 1
22 1 70 GLU HA 1 89 PHE QD 2.500 . 6.000 2.239 1.978 2.590 . 0 0 "[ . 1 . 2]" 1
23 1 86 HIS HA 1 87 VAL H 2.300 . 2.900 2.185 2.144 2.231 . 0 0 "[ . 1 . 2]" 1
24 1 17 PRO HA 1 19 LYS H 4.000 . 6.000 4.084 3.839 4.395 . 0 0 "[ . 1 . 2]" 1
25 1 36 MET HA 1 37 GLY H 3.500 . 5.000 3.293 3.105 3.558 . 0 0 "[ . 1 . 2]" 1
26 1 42 THR HA 1 44 GLU H 3.100 . 4.300 3.299 2.937 4.030 . 0 0 "[ . 1 . 2]" 1
27 1 42 THR H 1 42 THR HA 3.000 . 4.100 2.932 2.904 2.947 . 0 0 "[ . 1 . 2]" 1
28 1 66 PRO HA 1 67 LYS H 3.600 . 5.300 2.847 2.623 3.037 . 0 0 "[ . 1 . 2]" 1
29 1 82 SER H 1 82 SER HA 2.500 . 3.300 2.899 2.836 2.943 . 0 0 "[ . 1 . 2]" 1
30 1 43 PRO HA 1 45 GLU H 3.100 . 4.300 4.287 4.024 4.545 0.245 17 0 "[ . 1 . 2]" 1
31 1 40 ASN H 1 43 PRO HA 3.300 . 6.000 5.619 4.360 6.110 0.110 8 0 "[ . 1 . 2]" 1
32 1 34 ASN H 1 34 ASN HA 2.700 . 3.600 2.839 2.786 2.868 . 0 0 "[ . 1 . 2]" 1
33 1 34 ASN HA 1 35 GLN H 3.400 . 4.900 3.516 3.468 3.557 . 0 0 "[ . 1 . 2]" 1
34 1 34 ASN HA 1 37 GLY H 4.200 . 6.000 3.365 3.038 3.782 . 0 0 "[ . 1 . 2]" 1
35 1 34 ASN HA 1 34 ASN HD21 4.800 . 6.000 4.237 3.651 4.559 . 0 0 "[ . 1 . 2]" 1
36 1 29 ASP HA 1 30 GLU H 2.400 . 3.100 2.119 2.069 2.181 . 0 0 "[ . 1 . 2]" 1
37 1 71 VAL H 1 71 VAL HA 2.800 . 3.800 2.937 2.921 2.947 . 0 0 "[ . 1 . 2]" 1
38 1 71 VAL HA 1 72 TYR QD 3.500 . 5.000 3.670 3.407 4.214 . 0 0 "[ . 1 . 2]" 1
39 1 14 ILE HA 1 16 PHE QE 6.000 . 6.000 5.356 4.232 5.818 . 0 0 "[ . 1 . 2]" 1
40 1 81 SER H 1 81 SER HA 3.000 . 4.100 2.247 2.221 2.258 . 0 0 "[ . 1 . 2]" 1
41 1 76 ARG HA 1 77 ALA H 3.500 . 5.000 3.502 3.390 3.569 . 0 0 "[ . 1 . 2]" 1
42 1 13 GLU H 1 14 ILE HA 3.400 . 4.900 4.997 4.915 5.140 0.240 2 0 "[ . 1 . 2]" 1
43 1 18 LEU H 1 91 GLU HA 3.900 . 5.800 3.308 2.402 3.950 . 0 0 "[ . 1 . 2]" 1
44 1 91 GLU H 1 91 GLU HA 3.000 . 4.100 2.901 2.878 2.934 . 0 0 "[ . 1 . 2]" 1
45 1 91 GLU HA 1 92 GLU H 2.100 . 2.700 2.107 2.065 2.183 . 0 0 "[ . 1 . 2]" 1
46 1 35 GLN HA 1 37 GLY H 3.700 . 5.400 3.981 3.632 4.627 . 0 0 "[ . 1 . 2]" 1
47 1 20 ARG H 1 20 ARG HA 2.900 . 4.000 2.909 2.883 2.932 . 0 0 "[ . 1 . 2]" 1
48 1 28 GLU HA 1 29 ASP H 3.100 . 4.300 3.325 3.143 3.502 . 0 0 "[ . 1 . 2]" 1
49 1 53 TRP HA 1 53 TRP HE3 4.500 . 6.000 3.888 3.620 4.711 . 0 0 "[ . 1 . 2]" 1
50 1 75 PRO QD 1 85 PHE QD 2.500 . 6.000 2.349 1.890 3.267 . 0 0 "[ . 1 . 2]" 1
51 1 25 GLY H 1 26 TYR HA 4.300 . 6.000 4.655 4.191 4.973 . 0 0 "[ . 1 . 2]" 1
52 1 87 VAL HA 1 88 ILE H 2.200 . 2.800 2.105 2.078 2.125 . 0 0 "[ . 1 . 2]" 1
53 1 68 ILE HA 1 70 GLU H 4.600 . 6.000 4.325 3.739 4.716 . 0 0 "[ . 1 . 2]" 1
54 1 77 ALA HA 1 79 LYS H 2.900 . 4.000 3.239 3.002 3.626 . 0 0 "[ . 1 . 2]" 1
55 1 68 ILE HA 1 69 ARG H 2.300 . 3.000 2.595 2.361 2.764 . 0 0 "[ . 1 . 2]" 1
56 1 10 VAL H 1 10 VAL HA 2.900 . 4.000 2.929 2.910 2.952 . 0 0 "[ . 1 . 2]" 1
57 1 24 GLU HA 1 59 HIS HE1 3.800 . 5.600 2.557 1.934 3.365 0.066 3 0 "[ . 1 . 2]" 1
58 1 31 LEU HA 1 34 ASN HD21 3.500 . 5.000 2.417 1.988 3.443 0.012 13 0 "[ . 1 . 2]" 1
59 1 42 THR H 1 42 THR HB 3.700 . 5.400 3.492 2.765 3.804 . 0 0 "[ . 1 . 2]" 1
60 1 10 VAL HA 1 11 ASP H 2.200 . 2.800 2.144 2.119 2.195 . 0 0 "[ . 1 . 2]" 1
61 1 44 GLU H 1 44 GLU HA 2.800 . 3.700 2.277 2.243 2.620 . 0 0 "[ . 1 . 2]" 1
62 1 77 ALA H 1 77 ALA HA 3.000 . 4.100 2.851 2.783 2.896 . 0 0 "[ . 1 . 2]" 1
63 1 25 GLY H 1 25 GLY QA 2.600 . 3.400 2.269 2.232 2.336 . 0 0 "[ . 1 . 2]" 1
64 1 16 PHE QD 1 17 PRO QD . . 5.400 3.202 2.695 4.246 . 0 0 "[ . 1 . 2]" 1
65 1 52 ALA HA 1 53 TRP H 3.700 . 5.400 3.593 3.489 3.625 . 0 0 "[ . 1 . 2]" 1
66 1 25 GLY QA 1 26 TYR H 2.800 . 3.800 2.673 2.409 2.838 . 0 0 "[ . 1 . 2]" 1
67 1 39 VAL HA 1 42 THR H 4.300 . 6.000 4.476 4.151 4.979 . 0 0 "[ . 1 . 2]" 1
68 1 64 LYS HA 1 65 ASN H 3.500 . 5.000 3.462 3.231 3.547 . 0 0 "[ . 1 . 2]" 1
69 1 58 ALA HA 1 59 HIS H 2.800 . 3.800 3.517 3.500 3.539 . 0 0 "[ . 1 . 2]" 1
70 1 58 ALA HA 1 89 PHE HZ 2.800 . 3.700 3.144 2.562 3.731 0.031 17 0 "[ . 1 . 2]" 1
71 1 58 ALA HA 1 89 PHE QE 2.700 . 6.000 4.292 3.857 4.786 . 0 0 "[ . 1 . 2]" 1
72 1 47 GLY H 1 47 GLY HA3 2.400 . 3.100 2.854 2.652 2.928 . 0 0 "[ . 1 . 2]" 1
73 1 61 ALA H 1 62 LEU HA 6.000 . 6.000 5.275 5.200 5.339 . 0 0 "[ . 1 . 2]" 1
74 1 48 MET H 1 49 PRO QD 4.600 . 6.000 2.271 2.026 2.448 . 0 0 "[ . 1 . 2]" 1
75 1 53 TRP HZ2 1 75 PRO HA 5.100 . 6.000 2.045 1.778 2.917 0.022 17 0 "[ . 1 . 2]" 1
76 1 75 PRO QD 1 76 ARG H 2.300 . 6.000 4.875 4.728 4.984 . 0 0 "[ . 1 . 2]" 1
77 1 53 TRP HH2 1 75 PRO QD 3.800 . 5.600 4.057 3.626 4.572 . 0 0 "[ . 1 . 2]" 1
78 1 19 LYS H 1 19 LYS HA 2.800 . 3.800 2.856 2.799 2.890 . 0 0 "[ . 1 . 2]" 1
79 1 33 LEU HA 1 37 GLY H 2.900 . 6.000 4.180 3.472 4.480 . 0 0 "[ . 1 . 2]" 1
80 1 75 PRO QD 1 80 ASN QD 3.800 . 5.600 4.746 3.874 5.036 . 0 0 "[ . 1 . 2]" 1
81 1 57 CYS H 1 57 CYS HA 3.000 . 4.100 2.816 2.795 2.845 . 0 0 "[ . 1 . 2]" 1
82 1 71 VAL H 1 88 ILE HA 3.900 . 5.800 3.518 3.310 3.699 . 0 0 "[ . 1 . 2]" 1
83 1 60 GLU HA 1 63 GLU H 3.500 . 5.000 3.654 3.287 3.958 . 0 0 "[ . 1 . 2]" 1
84 1 59 HIS HD2 1 60 GLU HA 3.500 . 5.000 4.390 3.572 4.770 . 0 0 "[ . 1 . 2]" 1
85 1 18 LEU HA 1 89 PHE QD 3.800 . 5.600 2.930 2.602 3.488 . 0 0 "[ . 1 . 2]" 1
86 1 46 GLU HA 1 47 GLY H 3.200 . 4.500 3.465 3.157 3.544 . 0 0 "[ . 1 . 2]" 1
87 1 18 LEU H 1 18 LEU HA 2.700 . 3.600 2.732 2.695 2.771 . 0 0 "[ . 1 . 2]" 1
88 1 18 LEU HA 1 21 ILE H 4.000 . 6.000 3.936 3.629 4.224 . 0 0 "[ . 1 . 2]" 1
89 1 65 ASN H 1 66 PRO QD 3.000 . 4.100 3.042 2.479 3.611 . 0 0 "[ . 1 . 2]" 1
90 1 53 TRP QB 1 53 TRP HD1 2.500 . 3.300 2.496 2.399 2.533 . 0 0 "[ . 1 . 2]" 1
91 1 59 HIS H 1 59 HIS HA 2.900 . 3.900 2.798 2.769 2.814 . 0 0 "[ . 1 . 2]" 1
92 1 26 TYR H 1 26 TYR QB 2.400 . 3.100 2.565 2.169 2.752 . 0 0 "[ . 1 . 2]" 1
93 1 26 TYR QB 1 26 TYR QD 4.200 . 6.000 2.146 2.138 2.220 . 0 0 "[ . 1 . 2]" 1
94 1 15 HIS HB3 1 16 PHE H 3.600 . 5.200 3.403 3.002 3.683 . 0 0 "[ . 1 . 2]" 1
95 1 16 PHE HZ 1 55 ILE HA 4.000 . 6.000 3.104 2.736 3.653 . 0 0 "[ . 1 . 2]" 1
96 1 16 PHE QE 1 55 ILE HA 3.300 . 4.700 2.713 1.948 3.537 . 0 0 "[ . 1 . 2]" 1
97 1 53 TRP H 1 76 ARG QD 2.600 . 6.000 5.482 4.850 5.846 . 0 0 "[ . 1 . 2]" 1
98 1 53 TRP HD1 1 76 ARG QD 3.100 . 4.300 3.323 1.984 4.210 . 0 0 "[ . 1 . 2]" 1
99 1 13 GLU H 1 86 HIS HB3 4.100 . 6.000 5.498 4.250 6.958 0.958 19 6 "[ - *. * 1 * . * +2]" 1
100 1 40 ASN H 1 40 ASN QB . . 3.300 2.670 2.463 2.928 . 0 0 "[ . 1 . 2]" 1
101 1 40 ASN QB 1 41 ASP H 3.000 . 5.200 2.947 2.454 3.525 . 0 0 "[ . 1 . 2]" 1
102 1 85 PHE HB3 1 86 HIS H 2.500 . 3.300 3.338 3.123 3.425 0.125 1 0 "[ . 1 . 2]" 1
103 1 65 ASN HB2 1 65 ASN QD 3.200 . 4.500 2.553 2.218 3.289 . 0 0 "[ . 1 . 2]" 1
104 1 85 PHE HB3 1 85 PHE QD 2.600 . 3.500 2.455 2.268 2.761 . 0 0 "[ . 1 . 2]" 1
105 1 80 ASN HB3 1 80 ASN QD 3.000 . 4.100 2.537 2.067 2.806 . 0 0 "[ . 1 . 2]" 1
106 1 16 PHE HB3 1 21 ILE H 2.100 . 6.000 4.224 3.856 4.485 . 0 0 "[ . 1 . 2]" 1
107 1 16 PHE HB3 1 16 PHE QD 2.400 . 3.100 2.653 2.229 2.756 . 0 0 "[ . 1 . 2]" 1
108 1 89 PHE H 1 89 PHE QB 2.300 . 3.000 2.376 2.339 2.459 . 0 0 "[ . 1 . 2]" 1
109 1 35 GLN H 1 35 GLN QG 2.900 . 3.900 3.071 2.260 3.799 . 0 0 "[ . 1 . 2]" 1
110 1 53 TRP HZ2 1 54 VAL HA 3.700 . 5.400 5.129 4.792 5.428 0.028 9 0 "[ . 1 . 2]" 1
111 1 72 TYR H 1 72 TYR HB2 3.300 . 4.700 2.790 2.403 3.718 . 0 0 "[ . 1 . 2]" 1
112 1 72 TYR HB2 1 73 LEU H 6.000 . 6.000 4.094 3.090 4.419 . 0 0 "[ . 1 . 2]" 1
113 1 72 TYR HB2 1 72 TYR QD 2.800 . 3.800 2.360 2.285 2.447 . 0 0 "[ . 1 . 2]" 1
114 1 85 PHE HB2 1 86 HIS H 4.300 . 6.000 4.277 4.109 4.351 . 0 0 "[ . 1 . 2]" 1
115 1 85 PHE HB2 1 85 PHE QD 2.800 . 3.800 2.408 2.267 2.734 . 0 0 "[ . 1 . 2]" 1
116 1 80 ASN HB2 1 81 SER H 2.900 . 3.900 3.065 2.585 3.911 0.011 18 0 "[ . 1 . 2]" 1
117 1 86 HIS H 1 86 HIS HB2 3.400 . 4.900 2.598 2.217 2.922 . 0 0 "[ . 1 . 2]" 1
118 1 72 TYR HB3 1 72 TYR QE 4.400 . 6.000 4.432 4.392 4.479 . 0 0 "[ . 1 . 2]" 1
119 1 80 ASN HB2 1 80 ASN QD 3.500 . 5.000 2.467 2.127 3.185 . 0 0 "[ . 1 . 2]" 1
120 1 16 PHE HB2 1 16 PHE QD 2.400 . 3.100 2.383 2.250 2.719 . 0 0 "[ . 1 . 2]" 1
121 1 72 TYR HB3 1 73 LEU H 4.100 . 6.000 3.579 3.309 4.061 . 0 0 "[ . 1 . 2]" 1
122 1 72 TYR HB3 1 72 TYR QD 2.800 . 3.800 2.451 2.343 2.612 . 0 0 "[ . 1 . 2]" 1
123 1 35 GLN HB3 1 35 GLN QE 4.100 . 6.000 3.097 2.115 4.224 . 0 0 "[ . 1 . 2]" 1
124 1 35 GLN HB3 1 36 MET H 3.500 . 5.000 3.170 2.497 3.651 . 0 0 "[ . 1 . 2]" 1
125 1 41 ASP H 1 41 ASP QB 2.600 . 3.400 2.350 2.230 2.896 . 0 0 "[ . 1 . 2]" 1
126 1 17 PRO HB3 1 18 LEU H 4.700 . 6.000 3.788 3.514 4.208 . 0 0 "[ . 1 . 2]" 1
127 1 17 PRO HB3 1 20 ARG H 4.300 . 6.000 4.178 3.720 4.579 . 0 0 "[ . 1 . 2]" 1
128 1 26 TYR QB 1 59 HIS HE1 4.100 . 6.000 4.436 3.750 4.743 . 0 0 "[ . 1 . 2]" 1
129 1 18 LEU H 1 90 ASP QB 4.000 . 6.000 3.679 3.176 4.275 . 0 0 "[ . 1 . 2]" 1
130 1 90 ASP QB 1 91 GLU H 4.300 . 4.900 3.386 3.079 3.863 . 0 0 "[ . 1 . 2]" 1
131 1 91 GLU H 1 91 GLU HG3 3.200 . 4.500 3.331 2.315 4.566 0.066 10 0 "[ . 1 . 2]" 1
132 1 91 GLU HG3 1 92 GLU H 4.500 . 6.000 4.849 3.161 5.489 . 0 0 "[ . 1 . 2]" 1
133 1 69 ARG HB3 1 89 PHE H 3.700 . 5.500 5.233 4.150 5.679 0.179 8 0 "[ . 1 . 2]" 1
134 1 43 PRO HB3 1 45 GLU H 5.200 . 6.000 4.714 4.032 4.980 . 0 0 "[ . 1 . 2]" 1
135 1 36 MET H 1 36 MET HB3 3.400 . 4.800 3.329 2.496 3.668 . 0 0 "[ . 1 . 2]" 1
136 1 46 GLU HB2 1 53 TRP HE1 4.000 . 6.000 5.083 4.251 6.402 0.402 4 0 "[ . 1 . 2]" 1
137 1 46 GLU HB2 1 53 TRP HD1 3.700 . 6.000 5.099 4.550 6.168 0.168 4 0 "[ . 1 . 2]" 1
138 1 91 GLU H 1 92 GLU QG 3.900 . 5.800 4.575 3.881 5.542 . 0 0 "[ . 1 . 2]" 1
139 1 53 TRP HH2 1 57 CYS HB3 4.700 . 6.000 5.683 4.742 6.684 0.684 9 1 "[ . +1 . 2]" 1
140 1 51 ARG QB 1 55 ILE H 3.700 . 5.400 4.752 4.036 5.095 . 0 0 "[ . 1 . 2]" 1
141 1 57 CYS H 1 57 CYS HB3 2.500 . 3.300 3.035 2.485 3.611 0.311 11 0 "[ . 1 . 2]" 1
142 1 70 GLU QG 1 72 TYR QE 5.300 . 6.000 3.954 2.786 5.803 . 0 0 "[ . 1 . 2]" 1
143 1 48 MET H 1 48 MET HB2 3.100 . 4.300 2.533 2.367 2.752 . 0 0 "[ . 1 . 2]" 1
144 1 84 GLN HB3 1 85 PHE H 3.200 . 4.500 2.980 2.488 3.871 . 0 0 "[ . 1 . 2]" 1
145 1 69 ARG H 1 70 GLU QG 3.800 . 5.600 4.226 3.534 5.349 . 0 0 "[ . 1 . 2]" 1
146 1 28 GLU H 1 28 GLU HB2 3.400 . 4.800 2.574 2.304 3.688 . 0 0 "[ . 1 . 2]" 1
147 1 53 TRP HE1 1 75 PRO QG 4.600 . 6.000 5.292 4.212 5.779 . 0 0 "[ . 1 . 2]" 1
148 1 53 TRP HE3 1 54 VAL HB 3.400 . 4.800 4.749 1.927 5.112 0.312 17 0 "[ . 1 . 2]" 1
149 1 59 HIS HB2 1 60 GLU H 4.300 . 6.000 3.616 3.400 3.750 . 0 0 "[ . 1 . 2]" 1
150 1 59 HIS HB2 1 59 HIS HE1 3.600 . 5.200 4.829 4.723 4.955 . 0 0 "[ . 1 . 2]" 1
151 1 75 PRO QG 1 85 PHE QE 3.000 . 4.100 2.168 1.894 2.792 0.006 3 0 "[ . 1 . 2]" 1
152 1 68 ILE HB 1 69 ARG H 2.300 . 3.000 1.859 1.681 2.322 . 0 0 "[ . 1 . 2]" 1
153 1 28 GLU H 1 28 GLU HG3 4.200 . 6.000 3.701 2.492 4.898 . 0 0 "[ . 1 . 2]" 1
154 1 13 GLU H 1 39 VAL HB 2.700 . 6.000 5.377 4.237 6.126 0.126 20 0 "[ . 1 . 2]" 1
155 1 10 VAL HB 1 11 ASP H 3.200 . 4.500 4.120 2.953 4.308 . 0 0 "[ . 1 . 2]" 1
156 1 32 LEU QB 1 33 LEU H 3.000 . 4.100 2.524 2.378 2.653 . 0 0 "[ . 1 . 2]" 1
157 1 20 ARG H 1 20 ARG QB . . 2.800 2.488 2.145 2.809 0.009 15 0 "[ . 1 . 2]" 1
158 1 20 ARG QB 1 23 ALA H 2.700 . 6.000 4.603 4.300 4.864 . 0 0 "[ . 1 . 2]" 1
159 1 73 LEU H 1 73 LEU HB3 3.200 . 4.500 3.205 2.377 3.679 . 0 0 "[ . 1 . 2]" 1
160 1 53 TRP HH2 1 73 LEU HB3 3.700 . 5.400 3.030 1.937 4.925 0.063 8 0 "[ . 1 . 2]" 1
161 1 84 GLN H 1 84 GLN HB2 3.000 . 4.100 2.845 2.609 3.897 . 0 0 "[ . 1 . 2]" 1
162 1 17 PRO HB2 1 19 LYS H 2.800 . 3.800 3.652 3.270 3.834 0.034 20 0 "[ . 1 . 2]" 1
163 1 75 PRO QG 1 80 ASN QD 3.900 . 5.800 3.160 2.319 3.749 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL HB 1 86 HIS H 5.300 . 6.000 4.074 3.309 4.951 . 0 0 "[ . 1 . 2]" 1
165 1 12 VAL H 1 12 VAL HB 2.600 . 3.500 2.614 2.432 2.763 . 0 0 "[ . 1 . 2]" 1
166 1 43 PRO HG3 1 47 GLY H 4.300 . 6.000 3.930 3.106 4.739 . 0 0 "[ . 1 . 2]" 1
167 1 55 ILE HG13 1 56 LYS H 3.500 . 5.100 4.393 4.297 4.454 . 0 0 "[ . 1 . 2]" 1
168 1 53 TRP HH2 1 75 PRO QG 4.500 . 6.000 4.917 4.144 5.479 . 0 0 "[ . 1 . 2]" 1
169 1 12 VAL HB 1 13 GLU H 4.000 . 6.000 4.152 3.919 4.321 . 0 0 "[ . 1 . 2]" 1
170 1 17 PRO HB2 1 20 ARG H 2.700 . 3.600 2.713 2.451 3.018 . 0 0 "[ . 1 . 2]" 1
171 1 76 ARG QB 1 78 VAL H 3.600 . 5.200 4.737 4.481 5.043 . 0 0 "[ . 1 . 2]" 1
172 1 18 LEU QB 1 19 LYS H 2.200 . 2.800 2.640 2.324 3.002 0.202 20 0 "[ . 1 . 2]" 1
173 1 63 GLU H 1 63 GLU HB2 2.500 . 3.300 2.400 2.211 2.629 . 0 0 "[ . 1 . 2]" 1
174 1 63 GLU HB2 1 65 ASN H 4.700 . 6.000 5.211 4.814 5.477 . 0 0 "[ . 1 . 2]" 1
175 1 19 LYS HB3 1 20 ARG H 2.800 . 3.800 3.922 3.588 4.469 0.669 4 3 "[ +. 1 - *. 2]" 1
176 1 63 GLU HB2 1 64 LYS H 2.700 . 3.600 3.085 2.912 4.104 0.504 8 1 "[ . + 1 . 2]" 1
177 1 18 LEU H 1 18 LEU QB 2.500 . 3.100 2.266 2.058 2.946 . 0 0 "[ . 1 . 2]" 1
178 1 83 VAL HB 1 84 GLN H 3.600 . 5.200 4.104 3.392 4.261 . 0 0 "[ . 1 . 2]" 1
179 1 68 ILE H 1 68 ILE QG . . 2.200 1.952 1.771 2.072 0.129 6 0 "[ . 1 . 2]" 1
180 1 80 ASN QD 1 83 VAL HB 3.900 . 5.800 3.923 1.922 5.075 0.078 18 0 "[ . 1 . 2]" 1
181 1 55 ILE HB 1 56 LYS H 2.700 . 3.600 2.678 2.559 2.777 . 0 0 "[ . 1 . 2]" 1
182 1 55 ILE H 1 55 ILE HB 3.000 . 4.100 2.425 2.363 2.472 . 0 0 "[ . 1 . 2]" 1
183 1 44 GLU H 1 44 GLU HB2 2.900 . 3.900 3.266 3.180 3.645 . 0 0 "[ . 1 . 2]" 1
184 1 76 ARG H 1 76 ARG HG3 3.000 . 4.100 2.218 1.698 4.248 0.202 4 0 "[ . 1 . 2]" 1
185 1 53 TRP HH2 1 73 LEU HB2 4.300 . 6.000 4.011 2.881 5.317 . 0 0 "[ . 1 . 2]" 1
186 1 73 LEU H 1 73 LEU HB2 3.000 . 4.100 2.650 2.271 3.785 . 0 0 "[ . 1 . 2]" 1
187 1 31 LEU HB2 1 32 LEU H 3.800 . 5.700 3.304 2.632 3.865 . 0 0 "[ . 1 . 2]" 1
188 1 31 LEU H 1 31 LEU HB2 2.300 . 3.000 2.285 2.002 3.578 0.578 16 1 "[ . 1 .+ 2]" 1
189 1 50 LEU QB 1 85 PHE HZ 4.200 . 6.000 4.384 3.504 4.863 . 0 0 "[ . 1 . 2]" 1
190 1 70 GLU QB 1 89 PHE H 5.100 . 6.000 2.723 2.539 2.835 . 0 0 "[ . 1 . 2]" 1
191 1 69 ARG H 1 70 GLU QB 2.200 . 6.000 4.633 3.947 5.085 . 0 0 "[ . 1 . 2]" 1
192 1 44 GLU H 1 44 GLU HB3 2.900 . 4.000 3.665 3.483 3.781 . 0 0 "[ . 1 . 2]" 1
193 1 33 LEU QB 1 34 ASN H 2.900 . 3.300 2.526 2.411 2.669 . 0 0 "[ . 1 . 2]" 1
194 1 33 LEU QB 1 35 GLN H 3.800 . 5.100 4.603 4.395 4.788 . 0 0 "[ . 1 . 2]" 1
195 1 70 GLU H 1 70 GLU QB 4.800 . 4.800 3.210 2.772 3.322 . 0 0 "[ . 1 . 2]" 1
196 1 50 LEU HG 1 85 PHE HZ 3.300 . 4.700 4.203 2.834 4.783 0.083 4 0 "[ . 1 . 2]" 1
197 1 33 LEU HG 1 34 ASN H 3.600 . 5.200 4.701 3.693 5.126 . 0 0 "[ . 1 . 2]" 1
198 1 61 ALA MB 1 71 VAL H 3.400 . 6.000 6.001 5.652 6.097 0.097 6 0 "[ . 1 . 2]" 1
199 1 61 ALA H 1 61 ALA MB 2.400 . 3.100 2.240 2.231 2.253 . 0 0 "[ . 1 . 2]" 1
200 1 67 LYS H 1 68 ILE QG 2.800 . 3.800 3.050 2.741 3.325 . 0 0 "[ . 1 . 2]" 1
201 1 61 ALA MB 1 65 ASN H 3.700 . 5.400 4.994 4.564 5.405 0.005 16 0 "[ . 1 . 2]" 1
202 1 77 ALA H 1 77 ALA MB 2.600 . 3.400 2.254 2.219 2.285 . 0 0 "[ . 1 . 2]" 1
203 1 19 LYS H 1 19 LYS HG3 3.000 . 4.200 2.967 1.627 3.878 0.173 4 0 "[ . 1 . 2]" 1
204 1 67 LYS H 1 67 LYS HG3 3.200 . 4.500 3.434 2.731 4.302 . 0 0 "[ . 1 . 2]" 1
205 1 9 ALA MB 1 82 SER H 3.500 . 6.000 5.690 5.108 6.102 0.102 15 0 "[ . 1 . 2]" 1
206 1 14 ILE H 1 14 ILE HB 2.600 . 3.400 2.748 2.594 2.990 . 0 0 "[ . 1 . 2]" 1
207 1 22 ALA H 1 22 ALA MB 2.200 . 2.800 2.279 2.227 2.351 . 0 0 "[ . 1 . 2]" 1
208 1 22 ALA MB 1 23 ALA H 3.200 . 4.500 3.182 2.710 3.583 . 0 0 "[ . 1 . 2]" 1
209 1 62 LEU QB 1 63 GLU H . . 4.300 2.517 2.434 2.681 . 0 0 "[ . 1 . 2]" 1
210 1 62 LEU H 1 62 LEU QB 2.100 . 2.600 2.228 2.186 2.285 . 0 0 "[ . 1 . 2]" 1
211 1 62 LEU QB 1 89 PHE QE 4.400 . 6.000 3.124 2.641 3.493 . 0 0 "[ . 1 . 2]" 1
212 1 45 GLU QB 1 47 GLY H 3.800 . 5.600 4.377 3.568 5.388 . 0 0 "[ . 1 . 2]" 1
213 1 62 LEU HG 1 89 PHE QE 4.400 . 6.000 4.421 2.918 5.403 . 0 0 "[ . 1 . 2]" 1
214 1 39 VAL QG 1 40 ASN H 2.600 . 4.900 3.589 3.142 3.790 . 0 0 "[ . 1 . 2]" 1
215 1 45 GLU QB 1 85 PHE HZ 3.700 . 5.400 3.213 2.110 4.295 . 0 0 "[ . 1 . 2]" 1
216 1 45 GLU QB 1 85 PHE QE 4.400 . 6.000 3.486 2.617 4.392 . 0 0 "[ . 1 . 2]" 1
217 1 68 ILE MG 1 69 ARG H 4.400 . 6.000 3.298 3.125 3.450 . 0 0 "[ . 1 . 2]" 1
218 1 21 ILE HG13 1 89 PHE QE 3.300 . 4.700 3.297 3.003 3.625 . 0 0 "[ . 1 . 2]" 1
219 1 50 LEU QD 1 53 TRP HZ2 3.000 . 4.100 3.163 2.320 3.976 . 0 0 "[ . 1 . 2]" 1
220 1 16 PHE QD 1 21 ILE HG12 3.400 . 4.800 2.824 2.004 3.541 . 0 0 "[ . 1 . 2]" 1
221 1 12 VAL QG 1 85 PHE QD 3.200 . 4.500 2.644 2.200 2.998 . 0 0 "[ . 1 . 2]" 1
222 1 10 VAL MG1 1 11 ASP H 2.900 . 3.900 2.923 2.484 3.637 . 0 0 "[ . 1 . 2]" 1
223 1 68 ILE H 1 68 ILE MD 4.700 . 6.000 3.616 2.845 3.778 . 0 0 "[ . 1 . 2]" 1
224 1 68 ILE MD 1 89 PHE QE 2.900 . 4.000 2.406 2.162 2.665 . 0 0 "[ . 1 . 2]" 1
225 1 68 ILE MD 1 70 GLU H 4.200 . 6.000 3.523 2.624 4.558 . 0 0 "[ . 1 . 2]" 1
226 1 65 ASN QD 1 68 ILE MD 2.700 . 3.600 2.074 1.732 3.512 0.068 20 0 "[ . 1 . 2]" 1
227 1 55 ILE H 1 55 ILE MG 4.000 . 6.000 3.745 3.715 3.773 . 0 0 "[ . 1 . 2]" 1
228 1 26 TYR QE 1 55 ILE MG 2.900 . 4.000 2.559 1.860 3.088 . 0 0 "[ . 1 . 2]" 1
229 1 71 VAL H 1 71 VAL QG . . 3.800 2.238 2.086 2.717 . 0 0 "[ . 1 . 2]" 1
230 1 12 VAL QG 1 13 GLU H . . 3.800 2.561 2.332 2.823 . 0 0 "[ . 1 . 2]" 1
231 1 71 VAL QG 1 73 LEU H 3.600 . 5.300 4.004 3.597 4.341 . 0 0 "[ . 1 . 2]" 1
232 1 71 VAL QG 1 72 TYR H 2.200 . 4.700 2.754 1.904 3.243 . 0 0 "[ . 1 . 2]" 1
233 1 71 VAL QG 1 89 PHE QE 3.200 . 4.400 2.188 1.800 2.665 0.200 20 0 "[ . 1 . 2]" 1
234 1 16 PHE HZ 1 55 ILE MD 3.300 . 4.700 3.596 3.276 4.065 . 0 0 "[ . 1 . 2]" 1
235 1 83 VAL QG 1 84 GLN H 4.000 . 4.600 2.534 2.352 2.862 . 0 0 "[ . 1 . 2]" 1
236 1 80 ASN QD 1 83 VAL QG 2.500 . 3.300 2.049 1.655 2.946 0.045 1 0 "[ . 1 . 2]" 1
237 1 21 ILE H 1 21 ILE MG 2.200 . 2.800 2.055 1.945 2.144 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE MG 1 89 PHE QE 3.200 . 4.500 2.162 1.943 2.498 . 0 0 "[ . 1 . 2]" 1
239 1 15 HIS HD2 1 88 ILE MG 3.700 . 5.400 2.339 2.102 2.653 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE MD 1 59 HIS HD2 3.100 . 4.300 4.291 3.835 4.397 0.097 10 0 "[ . 1 . 2]" 1
241 1 53 TRP HZ2 1 73 LEU QD 4.100 . 6.000 3.762 2.502 4.248 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE MD 1 59 HIS H 3.300 . 4.700 3.124 2.750 3.388 . 0 0 "[ . 1 . 2]" 1
243 1 16 PHE HZ 1 55 ILE HG12 2.500 . 3.300 2.360 1.999 2.798 . 0 0 "[ . 1 . 2]" 1
244 1 45 GLU QG 1 80 ASN QD 3.400 . 4.900 2.975 1.984 4.158 . 0 0 "[ . 1 . 2]" 1
245 1 54 VAL MG1 1 55 ILE H 2.900 . 4.000 2.271 2.009 2.830 . 0 0 "[ . 1 . 2]" 1
246 1 16 PHE HZ 1 54 VAL MG1 2.800 . 3.800 2.288 1.942 2.596 . 0 0 "[ . 1 . 2]" 1
247 1 16 PHE QE 1 54 VAL MG1 4.700 . 6.000 2.842 2.131 3.230 . 0 0 "[ . 1 . 2]" 1
248 1 54 VAL H 1 54 VAL MG1 2.800 . 3.800 3.059 2.498 3.704 . 0 0 "[ . 1 . 2]" 1
249 1 54 VAL H 1 54 VAL MG2 2.900 . 3.900 3.248 2.439 3.680 . 0 0 "[ . 1 . 2]" 1
250 1 59 HIS HD2 1 62 LEU H 4.800 . 6.000 4.996 4.770 5.225 . 0 0 "[ . 1 . 2]" 1
251 1 87 VAL H 1 87 VAL MG1 3.300 . 4.600 3.697 2.257 3.807 . 0 0 "[ . 1 . 2]" 1
252 1 87 VAL MG1 1 88 ILE H 3.400 . 4.900 3.037 2.923 3.826 . 0 0 "[ . 1 . 2]" 1
253 1 83 VAL QG 1 85 PHE QE 3.000 . 4.100 3.029 2.167 3.785 . 0 0 "[ . 1 . 2]" 1
254 1 83 VAL QG 1 85 PHE HZ 3.300 . 4.700 3.743 3.167 4.257 . 0 0 "[ . 1 . 2]" 1
255 1 83 VAL H 1 83 VAL QG . . 3.900 2.209 1.916 2.339 0.084 15 0 "[ . 1 . 2]" 1
256 1 15 HIS HE1 1 88 ILE QG 4.100 . 6.000 5.516 4.682 5.846 . 0 0 "[ . 1 . 2]" 1
257 1 62 LEU QD 1 67 LYS H 4.300 . 6.000 4.268 3.788 5.154 . 0 0 "[ . 1 . 2]" 1
258 1 87 VAL H 1 87 VAL MG2 3.300 . 4.700 2.612 2.343 3.884 . 0 0 "[ . 1 . 2]" 1
259 1 16 PHE QD 1 87 VAL MG2 2.900 . 4.000 3.755 2.390 4.495 0.495 1 0 "[ . 1 . 2]" 1
260 1 87 VAL MG2 1 89 PHE QE 3.200 . 4.500 4.794 3.316 5.207 0.707 9 4 "[ - . * +1 * . 2]" 1
261 1 71 VAL H 1 87 VAL MG2 4.300 . 6.000 4.564 4.312 4.722 . 0 0 "[ . 1 . 2]" 1
262 1 88 ILE H 1 88 ILE HB 2.600 . 3.400 2.506 2.435 2.563 . 0 0 "[ . 1 . 2]" 1
263 1 15 HIS HE1 1 88 ILE HB 1.800 . 6.000 5.050 4.549 5.266 . 0 0 "[ . 1 . 2]" 1
264 1 14 ILE MG 1 16 PHE QE 2.700 . 3.600 2.495 1.794 2.915 0.006 3 0 "[ . 1 . 2]" 1
265 1 14 ILE MG 1 16 PHE QD 3.900 . 5.800 3.234 2.697 3.633 . 0 0 "[ . 1 . 2]" 1
266 1 14 ILE MG 1 16 PHE HZ 3.400 . 4.800 2.742 2.370 3.515 . 0 0 "[ . 1 . 2]" 1
267 1 32 LEU QB 1 35 GLN HB3 4.500 . 6.000 6.076 5.022 6.841 0.841 14 7 "[ ** . * * - +. * 2]" 1
268 1 19 LYS H 1 20 ARG H 2.800 . 3.800 2.563 2.389 2.731 . 0 0 "[ . 1 . 2]" 1
269 1 26 TYR H 1 26 TYR QD 2.800 . 3.800 2.321 1.757 4.064 0.264 20 0 "[ . 1 . 2]" 1
270 1 70 GLU H 1 89 PHE QE 2.900 . 6.000 4.585 4.099 5.457 . 0 0 "[ . 1 . 2]" 1
271 1 59 HIS HD2 1 63 GLU H 3.100 . 4.300 3.787 3.409 4.116 . 0 0 "[ . 1 . 2]" 1
272 1 26 TYR H 1 27 ALA H 2.900 . 4.000 2.593 2.413 2.694 . 0 0 "[ . 1 . 2]" 1
273 1 59 HIS HD2 1 60 GLU H 4.100 . 6.000 4.561 4.150 4.769 . 0 0 "[ . 1 . 2]" 1
274 1 23 ALA H 1 59 HIS HE1 4.000 . 6.000 5.272 4.520 5.848 . 0 0 "[ . 1 . 2]" 1
275 1 35 GLN H 1 36 MET H 3.000 . 4.100 2.624 2.545 2.723 . 0 0 "[ . 1 . 2]" 1
276 1 53 TRP HZ2 1 54 VAL H 5.300 . 6.000 5.613 5.466 6.122 0.122 4 0 "[ . 1 . 2]" 1
277 1 85 PHE QD 1 86 HIS H 4.400 . 6.000 4.021 3.569 4.445 . 0 0 "[ . 1 . 2]" 1
278 1 85 PHE H 1 85 PHE QD 3.100 . 6.000 3.031 2.599 3.638 . 0 0 "[ . 1 . 2]" 1
279 1 12 VAL H 1 86 HIS H 4.600 . 6.000 3.460 3.122 3.802 . 0 0 "[ . 1 . 2]" 1
280 1 57 CYS H 1 59 HIS H 3.500 . 5.100 4.026 3.917 4.118 . 0 0 "[ . 1 . 2]" 1
281 1 47 GLY H 1 48 MET H 3.200 . 4.500 3.576 2.974 3.876 . 0 0 "[ . 1 . 2]" 1
282 1 65 ASN H 1 68 ILE MD 3.600 . 5.200 4.525 4.138 5.327 0.127 12 0 "[ . 1 . 2]" 1
283 1 14 ILE MD 1 53 TRP HH2 4.200 . 6.000 5.982 4.364 6.217 0.217 16 0 "[ . 1 . 2]" 1
284 1 16 PHE QD 1 87 VAL MG1 3.700 . 5.400 2.259 1.868 3.820 0.132 10 0 "[ . 1 . 2]" 1
285 1 62 LEU QD 1 63 GLU H 4.400 . 5.200 3.338 2.759 3.761 . 0 0 "[ . 1 . 2]" 1
286 1 89 PHE HA 1 89 PHE QB 2.700 . 3.600 2.393 2.362 2.420 . 0 0 "[ . 1 . 2]" 1
287 1 16 PHE HA 1 16 PHE HB3 2.600 . 3.400 2.525 2.482 2.577 . 0 0 "[ . 1 . 2]" 1
288 1 72 TYR HA 1 72 TYR HB3 3.000 . 4.100 2.422 2.315 2.611 . 0 0 "[ . 1 . 2]" 1
289 1 85 PHE HA 1 85 PHE HB2 2.900 . 4.000 3.018 3.005 3.029 . 0 0 "[ . 1 . 2]" 1
290 1 15 HIS HA 1 15 HIS HB3 2.800 . 3.800 2.509 2.436 2.604 . 0 0 "[ . 1 . 2]" 1
291 1 15 HIS HA 1 88 ILE HB 2.900 . 4.000 2.826 2.482 3.171 . 0 0 "[ . 1 . 2]" 1
292 1 41 ASP HA 1 41 ASP QB 3.000 . 4.100 2.334 2.178 2.458 . 0 0 "[ . 1 . 2]" 1
293 1 13 GLU HA 1 86 HIS HB3 3.500 . 5.100 3.067 2.050 4.243 . 0 0 "[ . 1 . 2]" 1
294 1 11 ASP HA 1 12 VAL QG 3.600 . 5.200 3.666 3.427 4.235 . 0 0 "[ . 1 . 2]" 1
295 1 48 MET HA 1 49 PRO QD 3.300 . 4.100 3.549 3.482 3.592 . 0 0 "[ . 1 . 2]" 1
296 1 73 LEU HA 1 73 LEU HG 3.400 . 4.900 2.950 2.545 3.792 . 0 0 "[ . 1 . 2]" 1
297 1 65 ASN HA 1 66 PRO QD 2.500 . 2.900 2.114 1.957 2.430 . 0 0 "[ . 1 . 2]" 1
298 1 65 ASN HA 1 66 PRO HG3 4.200 . 6.000 4.608 4.271 4.944 . 0 0 "[ . 1 . 2]" 1
299 1 69 ARG HA 1 89 PHE QB . . 3.900 2.639 1.869 3.395 0.131 10 0 "[ . 1 . 2]" 1
300 1 69 ARG HA 1 69 ARG HB3 2.900 . 4.000 2.641 2.349 3.024 . 0 0 "[ . 1 . 2]" 1
301 1 62 LEU QD 1 66 PRO HA 3.500 . 3.800 2.672 2.040 3.245 . 0 0 "[ . 1 . 2]" 1
302 1 43 PRO HA 1 45 GLU QB 3.400 . 6.000 5.382 4.496 5.806 . 0 0 "[ . 1 . 2]" 1
303 1 71 VAL HA 1 71 VAL QG . . 4.100 2.278 2.160 2.329 . 0 0 "[ . 1 . 2]" 1
304 1 76 ARG HA 1 77 ALA MB 3.800 . 5.600 5.005 4.924 5.043 . 0 0 "[ . 1 . 2]" 1
305 1 83 VAL HA 1 83 VAL QG 3.400 . 4.100 2.283 2.099 2.365 . 0 0 "[ . 1 . 2]" 1
306 1 14 ILE HA 1 14 ILE MG 2.700 . 3.600 2.289 2.177 2.390 . 0 0 "[ . 1 . 2]" 1
307 1 14 ILE HA 1 14 ILE HB 2.500 . 3.300 3.019 2.979 3.036 . 0 0 "[ . 1 . 2]" 1
308 1 20 ARG HA 1 20 ARG HG3 3.600 . 5.200 3.090 2.159 3.963 . 0 0 "[ . 1 . 2]" 1
309 1 20 ARG HA 1 23 ALA MB 3.400 . 4.900 2.559 2.141 3.074 . 0 0 "[ . 1 . 2]" 1
310 1 28 GLU HA 1 28 GLU HB3 3.000 . 4.100 2.628 2.403 3.030 . 0 0 "[ . 1 . 2]" 1
311 1 21 ILE HA 1 21 ILE HB 1.900 . 2.400 2.452 2.397 2.494 0.094 7 0 "[ . 1 . 2]" 1
312 1 21 ILE HA 1 55 ILE MG 3.100 . 4.300 4.390 4.267 4.486 0.186 20 0 "[ . 1 . 2]" 1
313 1 23 ALA HA 1 23 ALA MB 2.300 . 3.000 2.130 2.126 2.133 . 0 0 "[ . 1 . 2]" 1
314 1 14 ILE HB 1 87 VAL HA 2.900 . 3.900 2.623 2.126 3.075 . 0 0 "[ . 1 . 2]" 1
315 1 14 ILE MD 1 87 VAL HA 3.400 . 4.800 4.101 3.749 4.446 . 0 0 "[ . 1 . 2]" 1
316 1 87 VAL HA 1 87 VAL MG1 2.800 . 3.800 2.479 2.377 3.209 . 0 0 "[ . 1 . 2]" 1
317 1 87 VAL HA 1 88 ILE HB 4.100 . 6.000 4.534 4.430 4.621 . 0 0 "[ . 1 . 2]" 1
318 1 68 ILE HA 1 68 ILE QG 3.500 . 5.000 3.326 3.280 3.452 . 0 0 "[ . 1 . 2]" 1
319 1 67 LYS HB2 1 68 ILE HA 3.000 . 6.000 4.566 4.086 4.823 . 0 0 "[ . 1 . 2]" 1
320 1 44 GLU HA 1 44 GLU HB2 2.700 . 3.600 2.476 2.420 2.567 . 0 0 "[ . 1 . 2]" 1
321 1 68 ILE HA 1 68 ILE MG 2.500 . 3.300 2.274 2.205 2.327 . 0 0 "[ . 1 . 2]" 1
322 1 50 LEU HA 1 50 LEU HG 3.200 . 4.500 3.543 2.443 3.828 . 0 0 "[ . 1 . 2]" 1
323 1 12 VAL HA 1 12 VAL QG 3.700 . 4.100 2.141 2.110 2.179 . 0 0 "[ . 1 . 2]" 1
324 1 52 ALA HA 1 52 ALA MB 2.300 . 3.000 2.128 2.124 2.133 . 0 0 "[ . 1 . 2]" 1
325 1 22 ALA HA 1 22 ALA MB 2.200 . 2.800 2.130 2.124 2.133 . 0 0 "[ . 1 . 2]" 1
326 1 39 VAL HA 1 39 VAL QG 3.400 . 4.100 2.252 2.141 2.383 . 0 0 "[ . 1 . 2]" 1
327 1 64 LYS HA 1 64 LYS QB 2.400 . 3.100 2.384 2.350 2.470 . 0 0 "[ . 1 . 2]" 1
328 1 43 PRO HG2 1 47 GLY HA3 2.900 . 3.900 4.187 3.914 4.659 0.759 6 4 "[ -+ 1 * . * 2]" 1
329 1 61 ALA HA 1 61 ALA MB 2.200 . 2.800 2.130 2.126 2.135 . 0 0 "[ . 1 . 2]" 1
330 1 62 LEU HA 1 68 ILE QG 3.400 . 4.900 3.056 2.794 3.339 . 0 0 "[ . 1 . 2]" 1
331 1 32 LEU HA 1 32 LEU QB 2.100 . 2.700 2.451 2.315 2.519 . 0 0 "[ . 1 . 2]" 1
332 1 62 LEU HA 1 68 ILE MG 3.900 . 5.800 4.656 4.403 5.263 . 0 0 "[ . 1 . 2]" 1
333 1 62 LEU HA 1 62 LEU QD 3.000 . 3.700 2.329 1.966 3.115 . 0 0 "[ . 1 . 2]" 1
334 1 32 LEU HA 1 32 LEU QD 2.600 . 3.400 2.208 1.889 2.579 . 0 0 "[ . 1 . 2]" 1
335 1 33 LEU HA 1 33 LEU HG 2.600 . 3.500 3.264 2.411 3.657 0.157 9 0 "[ . 1 . 2]" 1
336 1 18 LEU HG 1 19 LYS HA 2.900 . 6.000 5.003 3.464 5.846 . 0 0 "[ . 1 . 2]" 1
337 1 75 PRO QD 1 83 VAL QG 2.700 . 3.600 2.623 1.878 3.308 0.122 8 0 "[ . 1 . 2]" 1
338 1 19 LYS HA 1 22 ALA MB 3.400 . 4.800 3.068 2.613 3.229 . 0 0 "[ . 1 . 2]" 1
339 1 74 LYS QG 1 75 PRO QD 2.700 . 3.600 2.385 1.939 3.179 . 0 0 "[ . 1 . 2]" 1
340 1 88 ILE HA 1 88 ILE QG 2.400 . 3.100 2.369 2.259 2.424 . 0 0 "[ . 1 . 2]" 1
341 1 18 LEU HA 1 18 LEU QB 2.600 . 3.100 2.352 2.100 2.477 . 0 0 "[ . 1 . 2]" 1
342 1 18 LEU HA 1 18 LEU HG 2.900 . 4.000 3.239 2.395 4.196 0.196 20 0 "[ . 1 . 2]" 1
343 1 18 LEU HA 1 21 ILE HG13 4.200 . 6.000 5.606 5.003 5.960 . 0 0 "[ . 1 . 2]" 1
344 1 45 GLU QB 1 46 GLU HA 3.900 . 5.800 4.254 3.895 4.599 . 0 0 "[ . 1 . 2]" 1
345 1 18 LEU HA 1 21 ILE MG 2.200 . 2.800 2.211 1.872 2.486 . 0 0 "[ . 1 . 2]" 1
346 1 63 GLU HA 1 63 GLU HB2 2.400 . 3.100 2.982 2.454 3.024 . 0 0 "[ . 1 . 2]" 1
347 1 62 LEU QB 1 63 GLU HA 3.100 . 4.300 4.108 3.933 4.193 . 0 0 "[ . 1 . 2]" 1
348 1 47 GLY HA2 1 50 LEU HG 3.100 . 4.300 3.532 2.869 4.378 0.078 9 0 "[ . 1 . 2]" 1
349 1 43 PRO HD3 1 43 PRO HG2 2.800 . 3.800 2.901 2.857 2.958 . 0 0 "[ . 1 . 2]" 1
350 1 43 PRO HD2 1 43 PRO HG2 3.000 . 4.100 2.260 2.249 2.272 . 0 0 "[ . 1 . 2]" 1
351 1 59 HIS HA 1 62 LEU QB . . 4.100 3.035 2.798 3.311 . 0 0 "[ . 1 . 2]" 1
352 1 21 ILE HG13 1 59 HIS HA 2.700 . 3.600 2.391 2.073 2.786 . 0 0 "[ . 1 . 2]" 1
353 1 17 PRO QD 1 31 LEU QD 3.900 . 5.600 2.921 1.953 3.783 0.047 5 0 "[ . 1 . 2]" 1
354 1 17 PRO QD 1 32 LEU QD 3.100 . 4.300 2.258 1.864 3.671 0.136 5 0 "[ . 1 . 2]" 1
355 1 17 PRO QD 1 32 LEU QB 2.800 . 6.000 3.625 2.371 4.206 . 0 0 "[ . 1 . 2]" 1
356 1 55 ILE HA 1 58 ALA MB 3.200 . 4.400 2.711 2.529 2.856 . 0 0 "[ . 1 . 2]" 1
357 1 76 ARG QB 1 76 ARG QD 3.400 . 4.800 2.301 2.208 2.398 . 0 0 "[ . 1 . 2]" 1
358 1 20 ARG QB 1 20 ARG QD 3.100 . 3.600 2.328 2.043 2.842 . 0 0 "[ . 1 . 2]" 1
359 1 65 ASN HB2 1 68 ILE MG 3.600 . 5.200 3.418 2.633 5.112 . 0 0 "[ . 1 . 2]" 1
360 1 74 LYS HD3 1 74 LYS QE 3.200 . 4.500 2.323 2.162 2.446 . 0 0 "[ . 1 . 2]" 1
361 1 29 ASP QB 1 32 LEU HG 4.200 . 6.000 4.719 3.518 5.269 . 0 0 "[ . 1 . 2]" 1
362 1 67 LYS QE 1 67 LYS HG3 3.100 . 4.300 2.556 2.307 3.517 . 0 0 "[ . 1 . 2]" 1
363 1 80 ASN HB3 1 83 VAL QG 2.900 . 4.000 2.171 1.700 3.006 0.100 20 0 "[ . 1 . 2]" 1
364 1 16 PHE HB3 1 87 VAL MG1 5.500 . 6.000 4.381 3.809 6.027 0.027 13 0 "[ . 1 . 2]" 1
365 1 54 VAL HA 1 54 VAL MG2 2.700 . 3.600 2.190 2.120 2.253 . 0 0 "[ . 1 . 2]" 1
366 1 66 PRO HA 1 66 PRO HB2 2.600 . 3.500 2.671 2.633 2.692 . 0 0 "[ . 1 . 2]" 1
367 1 43 PRO HA 1 43 PRO HB3 2.400 . 3.100 2.322 2.275 2.353 . 0 0 "[ . 1 . 2]" 1
368 1 74 LYS QE 1 82 SER HA 2.500 . 6.000 5.044 3.801 5.829 . 0 0 "[ . 1 . 2]" 1
369 1 43 PRO HA 1 43 PRO HB2 2.500 . 3.300 2.658 2.618 2.730 . 0 0 "[ . 1 . 2]" 1
370 1 29 ASP HA 1 29 ASP QB 3.300 . 3.500 2.355 2.299 2.461 . 0 0 "[ . 1 . 2]" 1
371 1 71 VAL HA 1 71 VAL HB 2.600 . 3.400 2.516 2.439 3.033 . 0 0 "[ . 1 . 2]" 1
372 1 76 ARG HA 1 76 ARG QB 3.300 . 4.700 2.318 2.211 2.436 . 0 0 "[ . 1 . 2]" 1
373 1 20 ARG HA 1 20 ARG QD 3.700 . 5.400 3.468 2.140 4.525 . 0 0 "[ . 1 . 2]" 1
374 1 35 GLN HA 1 35 GLN QG 3.500 . 5.000 2.298 1.987 3.292 0.013 13 0 "[ . 1 . 2]" 1
375 1 21 ILE HA 1 26 TYR QB 3.200 . 4.500 2.894 2.439 3.480 . 0 0 "[ . 1 . 2]" 1
376 1 53 TRP HA 1 76 ARG QD 3.800 . 6.000 5.428 4.450 5.841 . 0 0 "[ . 1 . 2]" 1
377 1 75 PRO QD 1 75 PRO QG . . 3.000 1.959 1.933 1.978 0.067 6 0 "[ . 1 . 2]" 1
378 1 92 GLU HA 1 92 GLU HB3 2.800 . 3.800 2.467 2.227 2.763 . 0 0 "[ . 1 . 2]" 1
379 1 17 PRO QD 1 17 PRO HG3 2.200 . 2.800 2.225 2.181 2.254 . 0 0 "[ . 1 . 2]" 1
380 1 56 LYS HA 1 59 HIS HB3 3.000 . 4.100 2.766 2.416 3.037 . 0 0 "[ . 1 . 2]" 1
381 1 39 VAL HA 1 39 VAL HB 2.600 . 3.500 2.560 2.378 3.027 . 0 0 "[ . 1 . 2]" 1
382 1 53 TRP QB 1 76 ARG QD 2.700 . 6.000 3.085 2.272 3.384 . 0 0 "[ . 1 . 2]" 1
383 1 57 CYS HA 1 57 CYS HB3 2.500 . 3.300 2.784 2.459 3.053 . 0 0 "[ . 1 . 2]" 1
384 1 46 GLU HA 1 46 GLU QG 2.900 . 3.900 2.558 2.241 3.012 . 0 0 "[ . 1 . 2]" 1
385 1 66 PRO QD 1 66 PRO HG3 2.500 . 3.000 2.183 2.180 2.187 . 0 0 "[ . 1 . 2]" 1
386 1 46 GLU HA 1 46 GLU HB2 2.500 . 3.300 3.022 3.000 3.031 . 0 0 "[ . 1 . 2]" 1
387 1 53 TRP QB 1 54 VAL HB 3.100 . 4.300 5.080 4.312 5.488 1.188 1 18 "[+** *******-**.*****]" 1
388 1 66 PRO QD 1 66 PRO HG2 2.700 . 3.600 2.224 2.195 2.237 . 0 0 "[ . 1 . 2]" 1
389 1 63 GLU HA 1 66 PRO HB2 3.100 . 4.300 4.455 4.375 5.023 0.723 6 1 "[ .+ 1 . 2]" 1
390 1 25 GLY QA 1 28 GLU HG3 3.000 . 6.000 4.304 2.877 6.574 0.574 16 1 "[ . 1 .+ 2]" 1
391 1 17 PRO QD 1 17 PRO HG2 2.900 . 3.900 2.197 2.180 2.258 . 0 0 "[ . 1 . 2]" 1
392 1 55 ILE HA 1 56 LYS HB3 4.000 . 6.000 6.014 5.626 6.628 0.628 5 4 "[* *+ 1 . -2]" 1
393 1 62 LEU QB 1 62 LEU QD . . 3.000 1.962 1.871 2.071 0.029 12 0 "[ . 1 . 2]" 1
394 1 14 ILE HB 1 14 ILE MG 2.100 . 2.700 2.127 2.122 2.131 . 0 0 "[ . 1 . 2]" 1
395 1 50 LEU QB 1 50 LEU QD 2.700 . 3.600 1.957 1.859 2.068 0.041 13 0 "[ . 1 . 2]" 1
396 1 39 VAL HB 1 39 VAL QG 3.000 . 3.100 1.893 1.884 1.900 0.016 15 0 "[ . 1 . 2]" 1
397 1 36 MET ME 1 54 VAL MG2 3.000 . 4.100 3.458 2.874 3.928 . 0 0 "[ . 1 . 2]" 1
398 1 83 VAL HB 1 83 VAL QG . . 2.200 1.892 1.878 1.896 . 0 0 "[ . 1 . 2]" 1
399 1 58 ALA MB 1 87 VAL MG1 5.000 . 6.000 2.098 1.848 2.572 . 0 0 "[ . 1 . 2]" 1
400 1 32 LEU QD 1 32 LEU HG 2.900 . 3.900 1.891 1.883 1.895 0.017 20 0 "[ . 1 . 2]" 1
401 1 61 ALA MB 1 71 VAL QG 2.500 . 3.300 2.454 2.118 2.739 . 0 0 "[ . 1 . 2]" 1
402 1 62 LEU QD 1 62 LEU HG . . 2.800 1.888 1.881 1.896 0.019 8 0 "[ . 1 . 2]" 1
403 1 88 ILE MD 1 88 ILE QG 2.100 . 2.700 1.887 1.884 1.890 . 0 0 "[ . 1 . 2]" 1
404 1 64 LYS H 1 65 ASN H 2.800 . 3.800 2.463 2.134 2.723 . 0 0 "[ . 1 . 2]" 1
405 1 53 TRP H 1 54 VAL H 2.900 . 3.900 2.569 2.489 2.878 . 0 0 "[ . 1 . 2]" 1
406 1 57 CYS H 1 58 ALA H 2.600 . 3.400 2.710 2.629 2.776 . 0 0 "[ . 1 . 2]" 1
407 1 14 ILE MG 1 35 GLN HB3 3.300 . 4.600 3.266 2.004 4.643 0.043 9 0 "[ . 1 . 2]" 1
408 1 16 PHE QD 1 32 LEU QD 2.800 . 3.800 2.253 1.789 3.163 0.011 10 0 "[ . 1 . 2]" 1
409 1 16 PHE HZ 1 32 LEU QD 3.500 . 5.000 4.048 3.186 4.623 . 0 0 "[ . 1 . 2]" 1
410 1 50 LEU QD 1 85 PHE QE 2.500 . 3.300 2.367 1.974 2.688 . 0 0 "[ . 1 . 2]" 1
411 1 50 LEU QD 1 85 PHE HZ 2.700 . 3.600 2.282 1.994 2.745 . 0 0 "[ . 1 . 2]" 1
412 1 53 TRP HZ2 1 54 VAL MG2 2.600 . 3.500 3.339 2.987 3.844 0.344 4 0 "[ . 1 . 2]" 1
413 1 62 LEU QD 1 89 PHE QD 2.900 . 5.400 2.883 2.716 3.129 . 0 0 "[ . 1 . 2]" 1
414 1 62 LEU QD 1 89 PHE QE 3.300 . 3.800 2.951 2.576 3.324 . 0 0 "[ . 1 . 2]" 1
415 1 15 HIS HE1 1 88 ILE MD 3.200 . 4.500 3.751 3.229 4.353 . 0 0 "[ . 1 . 2]" 1
416 1 36 MET HB3 1 39 VAL H 4.100 . 6.000 5.825 5.140 6.111 0.111 3 0 "[ . 1 . 2]" 1
417 1 27 ALA H 1 27 ALA HA 2.400 . 3.100 2.851 2.823 2.876 . 0 0 "[ . 1 . 2]" 1
418 1 34 ASN H 1 34 ASN HD21 4.500 . 6.000 2.907 2.220 3.889 . 0 0 "[ . 1 . 2]" 1
419 1 31 LEU H 1 34 ASN HD21 4.800 . 6.000 4.227 3.860 4.875 . 0 0 "[ . 1 . 2]" 1
420 1 84 GLN HB2 1 84 GLN HE22 4.000 . 6.000 4.213 3.244 5.356 . 0 0 "[ . 1 . 2]" 1
421 1 84 GLN HA 1 84 GLN HE22 4.500 . 6.000 5.605 4.210 6.059 0.059 8 0 "[ . 1 . 2]" 1
422 1 31 LEU QD 1 34 ASN HD21 5.400 . 6.000 3.417 2.693 4.904 . 0 0 "[ . 1 . 2]" 1
423 1 30 GLU HB3 1 34 ASN HD21 4.500 . 6.000 4.162 3.511 4.576 . 0 0 "[ . 1 . 2]" 1
424 1 30 GLU HG3 1 34 ASN HD21 4.600 . 6.000 3.971 2.249 5.000 . 0 0 "[ . 1 . 2]" 1
425 1 34 ASN HB3 1 34 ASN HD21 2.700 . 3.600 2.629 2.171 3.469 . 0 0 "[ . 1 . 2]" 1
426 1 46 GLU H 1 47 GLY H 3.100 . 4.300 3.046 2.456 3.912 . 0 0 "[ . 1 . 2]" 1
427 1 47 GLY H 1 49 PRO QD 2.100 . 2.700 2.439 1.588 2.759 0.059 4 0 "[ . 1 . 2]" 1
428 1 46 GLU QG 1 47 GLY H 5.700 . 6.000 3.775 3.644 3.898 . 0 0 "[ . 1 . 2]" 1
429 1 47 GLY H 1 50 LEU QB 3.400 . 4.900 2.548 1.675 3.402 0.225 18 0 "[ . 1 . 2]" 1
430 1 24 GLU HA 1 25 GLY H 2.600 . 3.500 3.200 2.212 3.536 0.036 4 0 "[ . 1 . 2]" 1
431 1 24 GLU HB3 1 25 GLY H 3.200 . 4.500 3.560 2.574 4.354 . 0 0 "[ . 1 . 2]" 1
432 1 23 ALA MB 1 25 GLY H 3.500 . 5.000 3.124 2.383 5.096 0.096 11 0 "[ . 1 . 2]" 1
433 1 18 LEU H 1 20 ARG H 4.100 . 6.000 4.369 4.131 4.665 . 0 0 "[ . 1 . 2]" 1
434 1 18 LEU H 1 89 PHE HA 4.500 . 6.000 4.236 3.970 4.471 . 0 0 "[ . 1 . 2]" 1
435 1 17 PRO HA 1 18 LEU H 2.200 . 2.800 2.113 2.052 2.169 . 0 0 "[ . 1 . 2]" 1
436 1 17 PRO HG3 1 18 LEU H 4.800 . 6.000 5.263 4.992 5.751 . 0 0 "[ . 1 . 2]" 1
437 1 18 LEU H 1 18 LEU QD 3.900 . 5.800 3.370 1.570 3.741 0.430 20 0 "[ . 1 . 2]" 1
438 1 13 GLU H 1 15 HIS HE1 5.200 . 6.000 5.897 5.440 6.049 0.049 13 0 "[ . 1 . 2]" 1
439 1 13 GLU H 1 13 GLU HA 3.000 . 4.100 2.928 2.900 2.940 . 0 0 "[ . 1 . 2]" 1
440 1 12 VAL HA 1 13 GLU H 2.100 . 2.700 2.216 2.162 2.304 . 0 0 "[ . 1 . 2]" 1
441 1 13 GLU H 1 13 GLU HG3 2.400 . 3.100 2.842 1.831 3.928 0.828 19 2 "[ . 1 .- +2]" 1
442 1 29 ASP H 1 30 GLU H 4.800 . 6.000 4.389 4.171 4.503 . 0 0 "[ . 1 . 2]" 1
443 1 30 GLU H 1 30 GLU HA 2.900 . 4.000 2.807 2.769 2.827 . 0 0 "[ . 1 . 2]" 1
444 1 29 ASP QB 1 30 GLU H 4.800 . 6.000 3.751 3.474 3.927 . 0 0 "[ . 1 . 2]" 1
445 1 30 GLU H 1 30 GLU HG3 3.800 . 5.600 4.429 4.334 4.516 . 0 0 "[ . 1 . 2]" 1
446 1 30 GLU H 1 30 GLU HB3 2.700 . 3.600 2.590 2.445 2.740 . 0 0 "[ . 1 . 2]" 1
447 1 30 GLU H 1 31 LEU HB2 6.000 . 6.000 4.642 4.204 6.188 0.188 16 0 "[ . 1 . 2]" 1
448 1 30 GLU H 1 31 LEU QD 6.000 . 6.000 5.110 3.936 5.525 . 0 0 "[ . 1 . 2]" 1
449 1 13 GLU HA 1 14 ILE H 2.200 . 2.800 2.111 2.076 2.145 . 0 0 "[ . 1 . 2]" 1
450 1 13 GLU HG3 1 14 ILE H 3.600 . 5.200 4.937 4.345 5.671 0.471 19 0 "[ . 1 . 2]" 1
451 1 86 HIS HA 1 88 ILE H 2.800 . 6.000 5.560 5.335 5.788 . 0 0 "[ . 1 . 2]" 1
452 1 87 VAL HB 1 88 ILE H 3.400 . 4.900 4.344 4.266 4.417 . 0 0 "[ . 1 . 2]" 1
453 1 87 VAL MG2 1 88 ILE H 3.000 . 4.100 3.975 2.691 4.142 0.042 5 0 "[ . 1 . 2]" 1
454 1 86 HIS H 1 87 VAL H 4.100 . 6.000 4.178 4.095 4.253 . 0 0 "[ . 1 . 2]" 1
455 1 73 LEU H 1 87 VAL H 4.500 . 6.000 3.668 3.350 3.964 . 0 0 "[ . 1 . 2]" 1
456 1 85 PHE HB2 1 87 VAL H 3.400 . 6.000 5.222 4.898 5.519 . 0 0 "[ . 1 . 2]" 1
457 1 86 HIS HB2 1 87 VAL H 5.400 . 6.000 4.497 4.405 4.638 . 0 0 "[ . 1 . 2]" 1
458 1 71 VAL HB 1 87 VAL H 3.700 . 5.400 5.226 3.873 5.519 0.119 19 0 "[ . 1 . 2]" 1
459 1 87 VAL H 1 87 VAL HB 2.400 . 3.100 2.493 2.424 2.801 . 0 0 "[ . 1 . 2]" 1
460 1 71 VAL QG 1 87 VAL H 4.100 . 6.000 3.162 2.933 4.120 . 0 0 "[ . 1 . 2]" 1
461 1 91 GLU H 1 92 GLU H 3.800 . 5.600 4.362 4.173 4.540 . 0 0 "[ . 1 . 2]" 1
462 1 17 PRO HA 1 92 GLU H 4.200 . 6.000 4.711 3.561 5.990 . 0 0 "[ . 1 . 2]" 1
463 1 90 ASP QB 1 92 GLU H 3.400 . 6.000 4.802 4.480 5.283 . 0 0 "[ . 1 . 2]" 1
464 1 91 GLU HB3 1 92 GLU H 3.400 . 4.800 3.982 3.471 4.412 . 0 0 "[ . 1 . 2]" 1
465 1 92 GLU H 1 92 GLU HB3 3.300 . 4.700 3.660 3.119 3.967 . 0 0 "[ . 1 . 2]" 1
466 1 77 ALA H 1 79 LYS H 4.100 . 6.000 5.417 5.098 5.901 . 0 0 "[ . 1 . 2]" 1
467 1 18 LEU H 1 90 ASP H 2.900 . 4.000 3.357 2.937 3.692 . 0 0 "[ . 1 . 2]" 1
468 1 40 ASN H 1 41 ASP H 5.500 . 6.000 1.766 1.636 1.963 0.064 11 0 "[ . 1 . 2]" 1
469 1 39 VAL H 1 40 ASN H 4.500 . 6.000 3.496 2.922 4.089 . 0 0 "[ . 1 . 2]" 1
470 1 15 HIS HD2 1 90 ASP H 4.800 . 6.000 4.833 4.438 5.277 . 0 0 "[ . 1 . 2]" 1
471 1 89 PHE QD 1 90 ASP H 5.900 . 6.000 3.950 3.734 4.111 . 0 0 "[ . 1 . 2]" 1
472 1 72 TYR H 1 72 TYR QD 3.700 . 5.400 2.785 2.506 3.161 . 0 0 "[ . 1 . 2]" 1
473 1 89 PHE HA 1 90 ASP H 2.200 . 2.800 2.150 2.106 2.197 . 0 0 "[ . 1 . 2]" 1
474 1 40 ASN H 1 41 ASP HA 3.700 . 5.400 4.448 4.215 4.683 . 0 0 "[ . 1 . 2]" 1
475 1 40 ASN H 1 40 ASN HA 2.800 . 3.800 2.905 2.817 2.953 . 0 0 "[ . 1 . 2]" 1
476 1 71 VAL HA 1 72 TYR H 2.100 . 2.600 2.327 2.283 2.381 . 0 0 "[ . 1 . 2]" 1
477 1 39 VAL HA 1 40 ASN H 2.200 . 2.800 2.517 2.155 2.819 0.019 15 0 "[ . 1 . 2]" 1
478 1 18 LEU HA 1 90 ASP H 4.600 . 6.000 4.753 4.321 5.219 . 0 0 "[ . 1 . 2]" 1
479 1 90 ASP H 1 90 ASP QB . . 3.500 2.352 2.205 2.515 . 0 0 "[ . 1 . 2]" 1
480 1 18 LEU QB 1 90 ASP H 4.800 . 6.000 4.277 3.526 5.508 . 0 0 "[ . 1 . 2]" 1
481 1 88 ILE MG 1 90 ASP H 3.800 . 5.600 3.792 3.630 4.014 . 0 0 "[ . 1 . 2]" 1
482 1 88 ILE HB 1 90 ASP H 3.600 . 5.200 5.234 5.156 5.306 0.106 11 0 "[ . 1 . 2]" 1
483 1 85 PHE HA 1 86 HIS H 2.300 . 2.900 2.110 2.068 2.165 . 0 0 "[ . 1 . 2]" 1
484 1 86 HIS H 1 86 HIS HB3 3.000 . 4.100 3.118 2.495 3.706 . 0 0 "[ . 1 . 2]" 1
485 1 71 VAL H 1 89 PHE H 5.200 . 6.000 4.764 4.410 4.936 . 0 0 "[ . 1 . 2]" 1
486 1 89 PHE H 1 89 PHE QD 3.400 . 4.800 3.040 2.839 3.347 . 0 0 "[ . 1 . 2]" 1
487 1 88 ILE HA 1 89 PHE H 2.100 . 2.600 2.188 2.135 2.224 . 0 0 "[ . 1 . 2]" 1
488 1 88 ILE MG 1 89 PHE H 2.600 . 3.400 2.399 2.291 2.520 . 0 0 "[ . 1 . 2]" 1
489 1 88 ILE QG 1 89 PHE H 5.500 . 6.000 3.986 3.873 4.084 . 0 0 "[ . 1 . 2]" 1
490 1 9 ALA H 1 10 VAL H 5.100 . 6.000 4.357 4.102 4.548 . 0 0 "[ . 1 . 2]" 1
491 1 11 ASP H 1 11 ASP HA 2.800 . 3.800 2.937 2.908 2.946 . 0 0 "[ . 1 . 2]" 1
492 1 11 ASP H 1 83 VAL HA 3.600 . 6.000 5.307 4.986 5.570 . 0 0 "[ . 1 . 2]" 1
493 1 9 ALA H 1 82 SER HB3 5.000 . 6.000 4.485 3.593 6.020 0.020 19 0 "[ . 1 . 2]" 1
494 1 11 ASP H 1 11 ASP HB3 2.700 . 3.600 3.187 2.539 3.743 0.143 12 0 "[ . 1 . 2]" 1
495 1 9 ALA H 1 9 ALA MB 2.900 . 4.000 2.357 2.275 2.538 . 0 0 "[ . 1 . 2]" 1
496 1 11 ASP H 1 83 VAL QG 4.700 . 6.000 5.037 4.255 5.590 . 0 0 "[ . 1 . 2]" 1
497 1 53 TRP HZ2 1 74 LYS H 4.500 . 6.000 5.699 3.952 6.048 0.048 19 0 "[ . 1 . 2]" 1
498 1 53 TRP HH2 1 74 LYS H 3.500 . 5.100 3.901 3.268 5.146 0.046 4 0 "[ . 1 . 2]" 1
499 1 74 LYS H 1 74 LYS HA 3.000 . 4.100 2.939 2.930 2.951 . 0 0 "[ . 1 . 2]" 1
500 1 74 LYS H 1 84 GLN HA 6.000 . 6.000 5.453 4.993 5.784 . 0 0 "[ . 1 . 2]" 1
501 1 74 LYS H 1 75 PRO QD 5.000 . 6.000 4.184 3.947 4.385 . 0 0 "[ . 1 . 2]" 1
502 1 74 LYS H 1 74 LYS HB3 3.300 . 4.700 2.739 2.489 3.208 . 0 0 "[ . 1 . 2]" 1
503 1 74 LYS H 1 74 LYS HB2 3.100 . 4.300 2.862 2.479 3.175 . 0 0 "[ . 1 . 2]" 1
504 1 73 LEU QD 1 74 LYS H 2.800 . 3.800 2.676 1.955 3.356 . 0 0 "[ . 1 . 2]" 1
505 1 90 ASP H 1 91 GLU H 6.000 . 6.000 4.480 4.381 4.615 . 0 0 "[ . 1 . 2]" 1
506 1 90 ASP HA 1 91 GLU H 2.200 . 2.800 2.173 2.116 2.294 . 0 0 "[ . 1 . 2]" 1
507 1 91 GLU H 1 91 GLU HB3 3.900 . 5.800 3.091 2.373 3.645 . 0 0 "[ . 1 . 2]" 1
508 1 91 GLU H 1 91 GLU HB2 2.900 . 4.000 3.069 2.240 3.732 . 0 0 "[ . 1 . 2]" 1
509 1 55 ILE H 1 58 ALA H 4.200 . 6.000 4.742 4.634 4.854 . 0 0 "[ . 1 . 2]" 1
510 1 12 VAL H 1 85 PHE QD 4.800 . 6.000 4.089 2.593 4.765 . 0 0 "[ . 1 . 2]" 1
511 1 11 ASP HA 1 12 VAL H 2.400 . 3.100 2.131 2.070 2.203 . 0 0 "[ . 1 . 2]" 1
512 1 12 VAL H 1 84 GLN HA 5.500 . 6.000 5.112 4.831 5.331 . 0 0 "[ . 1 . 2]" 1
513 1 12 VAL H 1 85 PHE HB2 5.400 . 6.000 5.640 5.355 5.978 . 0 0 "[ . 1 . 2]" 1
514 1 57 CYS HB3 1 58 ALA H 2.900 . 3.900 3.016 2.455 3.716 . 0 0 "[ . 1 . 2]" 1
515 1 58 ALA H 1 73 LEU QD 2.800 . 3.800 3.472 3.192 3.751 . 0 0 "[ . 1 . 2]" 1
516 1 15 HIS H 1 16 PHE QE 4.100 . 6.000 4.907 3.979 5.495 . 0 0 "[ . 1 . 2]" 1
517 1 14 ILE HA 1 15 HIS H 2.300 . 2.900 2.244 2.153 2.362 . 0 0 "[ . 1 . 2]" 1
518 1 15 HIS H 1 15 HIS HB3 3.900 . 5.800 3.724 3.667 3.839 . 0 0 "[ . 1 . 2]" 1
519 1 15 HIS H 1 15 HIS HB2 2.600 . 3.500 2.554 2.463 2.757 . 0 0 "[ . 1 . 2]" 1
520 1 14 ILE HB 1 15 HIS H 4.300 . 6.000 3.905 3.435 4.196 . 0 0 "[ . 1 . 2]" 1
521 1 14 ILE MG 1 15 HIS H 2.700 . 3.600 2.458 2.021 2.815 . 0 0 "[ . 1 . 2]" 1
522 1 58 ALA H 1 87 VAL MG2 5.000 . 6.000 4.596 4.231 5.265 . 0 0 "[ . 1 . 2]" 1
523 1 19 LYS H 1 22 ALA H 3.500 . 6.000 4.931 4.810 5.090 . 0 0 "[ . 1 . 2]" 1
524 1 20 ARG H 1 22 ALA H 4.000 . 6.000 3.702 3.457 3.922 . 0 0 "[ . 1 . 2]" 1
525 1 21 ILE HG13 1 22 ALA H 5.000 . 6.000 4.218 3.921 4.575 . 0 0 "[ . 1 . 2]" 1
526 1 21 ILE MG 1 22 ALA H 2.600 . 3.400 2.467 2.242 2.901 . 0 0 "[ . 1 . 2]" 1
527 1 84 GLN H 1 85 PHE HA 4.700 . 6.000 4.744 4.600 4.800 . 0 0 "[ . 1 . 2]" 1
528 1 11 ASP HA 1 84 GLN H 4.400 . 6.000 2.858 2.227 3.381 . 0 0 "[ . 1 . 2]" 1
529 1 83 VAL HA 1 84 GLN H 2.200 . 2.800 2.174 2.117 2.204 . 0 0 "[ . 1 . 2]" 1
530 1 84 GLN H 1 84 GLN HB3 3.500 . 5.100 3.782 3.379 3.889 . 0 0 "[ . 1 . 2]" 1
531 1 9 ALA MB 1 84 GLN H 4.900 . 6.000 5.059 4.213 5.760 . 0 0 "[ . 1 . 2]" 1
532 1 12 VAL QG 1 84 GLN H 3.500 . 5.000 4.167 3.276 4.881 . 0 0 "[ . 1 . 2]" 1
533 1 38 LYS H 1 39 VAL H 4.000 . 6.000 2.806 2.633 2.966 . 0 0 "[ . 1 . 2]" 1
534 1 80 ASN QD 1 83 VAL H 6.000 . 6.000 5.064 4.403 5.550 . 0 0 "[ . 1 . 2]" 1
535 1 39 VAL H 1 40 ASN HA 5.300 . 6.000 5.126 4.757 5.511 . 0 0 "[ . 1 . 2]" 1
536 1 38 LYS HA 1 39 VAL H 3.400 . 4.800 3.573 3.550 3.596 . 0 0 "[ . 1 . 2]" 1
537 1 39 VAL H 1 39 VAL HA 3.000 . 4.200 2.922 2.879 2.954 . 0 0 "[ . 1 . 2]" 1
538 1 39 VAL H 1 39 VAL HB 2.800 . 3.800 3.206 2.429 3.711 . 0 0 "[ . 1 . 2]" 1
539 1 38 LYS HB2 1 39 VAL H 3.300 . 4.700 3.108 1.865 3.832 0.035 12 0 "[ . 1 . 2]" 1
540 1 39 VAL H 1 39 VAL QG 2.900 . 3.900 1.985 1.819 2.242 0.081 9 0 "[ . 1 . 2]" 1
541 1 46 GLU H 1 47 GLY HA3 4.900 . 6.000 4.915 4.613 5.568 . 0 0 "[ . 1 . 2]" 1
542 1 46 GLU H 1 46 GLU HA 2.300 . 3.000 2.927 2.906 2.943 . 0 0 "[ . 1 . 2]" 1
543 1 46 GLU H 1 46 GLU HB2 3.200 . 4.500 2.702 2.456 2.853 . 0 0 "[ . 1 . 2]" 1
544 1 43 PRO HB2 1 46 GLU H 4.500 . 6.000 3.939 3.349 4.627 . 0 0 "[ . 1 . 2]" 1
545 1 46 GLU H 1 77 ALA MB 6.000 . 6.000 5.686 4.801 6.083 0.083 14 0 "[ . 1 . 2]" 1
546 1 45 GLU QB 1 46 GLU H 3.900 . 5.800 1.894 1.685 2.089 0.315 20 0 "[ . 1 . 2]" 1
547 1 45 GLU QG 1 46 GLU H 5.200 . 6.000 3.232 1.987 3.902 0.013 4 0 "[ . 1 . 2]" 1
548 1 73 LEU H 1 86 HIS HA 3.600 . 5.200 3.308 2.918 3.847 . 0 0 "[ . 1 . 2]" 1
549 1 73 LEU H 1 85 PHE HB3 3.900 . 5.800 4.496 3.954 5.088 . 0 0 "[ . 1 . 2]" 1
550 1 73 LEU H 1 86 HIS HB2 4.100 . 6.000 5.651 4.804 6.340 0.340 8 0 "[ . 1 . 2]" 1
551 1 73 LEU H 1 84 GLN HB3 4.900 . 6.000 4.677 3.715 6.378 0.378 6 0 "[ . 1 . 2]" 1
552 1 73 LEU H 1 73 LEU HG 3.600 . 5.200 3.697 2.332 4.555 . 0 0 "[ . 1 . 2]" 1
553 1 73 LEU H 1 73 LEU QD 3.500 . 5.100 3.623 3.022 3.885 . 0 0 "[ . 1 . 2]" 1
554 1 25 GLY H 1 27 ALA H 3.900 . 5.800 5.020 3.700 5.689 . 0 0 "[ . 1 . 2]" 1
555 1 27 ALA H 1 27 ALA MB 2.400 . 3.100 2.252 2.235 2.274 . 0 0 "[ . 1 . 2]" 1
556 1 76 ARG H 1 77 ALA H 2.400 . 3.100 2.611 2.400 2.786 . 0 0 "[ . 1 . 2]" 1
557 1 75 PRO HA 1 76 ARG H 2.400 . 3.100 2.300 2.069 2.678 . 0 0 "[ . 1 . 2]" 1
558 1 76 ARG H 1 76 ARG QB 2.300 . 2.900 2.531 2.124 2.791 . 0 0 "[ . 1 . 2]" 1
559 1 45 GLU QG 1 76 ARG H 4.400 . 6.000 3.867 3.259 5.016 . 0 0 "[ . 1 . 2]" 1
560 1 83 VAL H 1 84 GLN H 4.200 . 6.000 4.356 4.222 4.556 . 0 0 "[ . 1 . 2]" 1
561 1 83 VAL H 1 84 GLN HA 4.200 . 6.000 4.941 4.691 5.410 . 0 0 "[ . 1 . 2]" 1
562 1 82 SER HA 1 83 VAL H 2.800 . 3.800 2.869 2.472 3.545 . 0 0 "[ . 1 . 2]" 1
563 1 83 VAL H 1 83 VAL HA 2.800 . 3.800 2.925 2.899 2.957 . 0 0 "[ . 1 . 2]" 1
564 1 82 SER HB3 1 83 VAL H 6.000 . 6.000 4.397 3.944 4.659 . 0 0 "[ . 1 . 2]" 1
565 1 83 VAL H 1 84 GLN QG 6.000 . 6.000 4.202 3.405 5.648 . 0 0 "[ . 1 . 2]" 1
566 1 83 VAL H 1 83 VAL HB 2.700 . 3.600 3.116 2.671 3.476 . 0 0 "[ . 1 . 2]" 1
567 1 9 ALA MB 1 83 VAL H 4.900 . 6.000 5.313 4.428 5.995 . 0 0 "[ . 1 . 2]" 1
568 1 44 GLU HA 1 45 GLU H 2.600 . 3.500 3.541 3.480 3.569 0.069 7 0 "[ . 1 . 2]" 1
569 1 45 GLU H 1 46 GLU QG 4.200 . 6.000 5.362 5.024 5.704 . 0 0 "[ . 1 . 2]" 1
570 1 44 GLU QG 1 45 GLU H 4.000 . 6.000 3.610 3.235 3.986 . 0 0 "[ . 1 . 2]" 1
571 1 44 GLU HB3 1 45 GLU H 5.100 . 6.000 2.552 2.317 2.774 . 0 0 "[ . 1 . 2]" 1
572 1 45 GLU H 1 45 GLU QB 3.000 . 4.000 2.252 2.008 2.487 . 0 0 "[ . 1 . 2]" 1
573 1 59 HIS H 1 61 ALA H 4.200 . 6.000 4.086 3.910 4.216 . 0 0 "[ . 1 . 2]" 1
574 1 61 ALA H 1 63 GLU H 5.900 . 6.000 4.291 4.096 4.398 . 0 0 "[ . 1 . 2]" 1
575 1 59 HIS HD2 1 61 ALA H 4.900 . 6.000 5.887 5.541 6.034 0.034 11 0 "[ . 1 . 2]" 1
576 1 61 ALA H 1 61 ALA HA 2.600 . 3.400 2.815 2.792 2.841 . 0 0 "[ . 1 . 2]" 1
577 1 60 GLU HB3 1 61 ALA H 3.100 . 4.300 3.707 3.480 4.194 . 0 0 "[ . 1 . 2]" 1
578 1 61 ALA H 1 62 LEU QB 4.200 . 6.000 4.416 4.271 4.532 . 0 0 "[ . 1 . 2]" 1
579 1 51 ARG H 1 53 TRP H 5.300 . 6.000 4.316 3.904 4.443 . 0 0 "[ . 1 . 2]" 1
580 1 53 TRP H 1 53 TRP QB 2.500 . 3.300 2.368 1.866 2.503 . 0 0 "[ . 1 . 2]" 1
581 1 53 TRP H 1 54 VAL HB 4.500 . 6.000 4.529 4.295 4.933 . 0 0 "[ . 1 . 2]" 1
582 1 52 ALA MB 1 53 TRP H 2.800 . 3.800 2.440 2.376 2.484 . 0 0 "[ . 1 . 2]" 1
583 1 50 LEU QD 1 53 TRP H 4.400 . 6.000 4.623 4.234 5.231 . 0 0 "[ . 1 . 2]" 1
584 1 53 TRP H 1 54 VAL MG1 5.000 . 6.000 4.940 4.312 5.706 . 0 0 "[ . 1 . 2]" 1
585 1 43 PRO HB2 1 44 GLU H 3.900 . 5.800 4.066 2.544 4.304 . 0 0 "[ . 1 . 2]" 1
586 1 11 ASP HA 1 85 PHE H 6.000 . 6.000 5.270 4.736 5.683 . 0 0 "[ . 1 . 2]" 1
587 1 84 GLN HA 1 85 PHE H 2.500 . 3.300 2.236 2.148 2.381 . 0 0 "[ . 1 . 2]" 1
588 1 75 PRO QD 1 85 PHE H 4.600 . 6.000 2.999 2.514 3.644 . 0 0 "[ . 1 . 2]" 1
589 1 84 GLN HB2 1 85 PHE H 3.900 . 5.800 3.829 2.608 4.188 . 0 0 "[ . 1 . 2]" 1
590 1 31 LEU H 1 35 GLN QE 6.000 . 6.000 5.132 4.739 5.423 . 0 0 "[ . 1 . 2]" 1
591 1 31 LEU H 1 33 LEU H 3.600 . 5.200 3.991 3.765 4.150 . 0 0 "[ . 1 . 2]" 1
592 1 29 ASP HA 1 31 LEU H 3.600 . 5.300 3.790 3.514 3.982 . 0 0 "[ . 1 . 2]" 1
593 1 53 TRP HA 1 54 VAL H 3.400 . 4.900 3.519 3.489 3.586 . 0 0 "[ . 1 . 2]" 1
594 1 31 LEU H 1 31 LEU HA 2.900 . 3.900 2.805 2.775 2.856 . 0 0 "[ . 1 . 2]" 1
595 1 53 TRP QB 1 54 VAL H 3.000 . 4.200 3.450 2.714 3.546 . 0 0 "[ . 1 . 2]" 1
596 1 55 ILE HA 1 56 LYS H 3.800 . 5.600 3.553 3.528 3.578 . 0 0 "[ . 1 . 2]" 1
597 1 29 ASP QB 1 31 LEU H 5.200 . 6.000 3.879 3.117 4.234 . 0 0 "[ . 1 . 2]" 1
598 1 30 GLU HG3 1 31 LEU H 3.800 . 5.600 4.825 4.290 5.123 . 0 0 "[ . 1 . 2]" 1
599 1 54 VAL H 1 54 VAL HB 2.300 . 3.000 2.224 2.063 2.291 . 0 0 "[ . 1 . 2]" 1
600 1 56 LYS H 1 56 LYS HB3 2.400 . 3.100 2.766 2.268 3.605 0.505 1 1 "[+ . 1 . 2]" 1
601 1 50 LEU QD 1 54 VAL H 3.800 . 5.600 4.028 3.483 4.709 . 0 0 "[ . 1 . 2]" 1
602 1 31 LEU H 1 32 LEU QB 3.900 . 5.800 4.211 3.927 4.427 . 0 0 "[ . 1 . 2]" 1
603 1 55 ILE MG 1 56 LYS H 3.400 . 4.800 3.275 3.166 3.394 . 0 0 "[ . 1 . 2]" 1
604 1 34 ASN HA 1 38 LYS H 2.900 . 4.000 3.961 3.721 4.063 0.063 3 0 "[ . 1 . 2]" 1
605 1 37 GLY HA3 1 38 LYS H 3.400 . 4.800 2.890 2.772 3.028 . 0 0 "[ . 1 . 2]" 1
606 1 38 LYS H 1 38 LYS HB2 3.100 . 4.300 2.485 2.324 2.670 . 0 0 "[ . 1 . 2]" 1
607 1 10 VAL H 1 84 GLN HE21 4.300 . 6.000 5.583 4.011 6.524 0.524 2 1 "[ + . 1 . 2]" 1
608 1 9 ALA HA 1 10 VAL H 2.200 . 2.800 2.147 2.088 2.237 . 0 0 "[ . 1 . 2]" 1
609 1 47 GLY HA3 1 48 MET H 2.700 . 3.600 2.216 2.121 2.391 . 0 0 "[ . 1 . 2]" 1
610 1 10 VAL H 1 82 SER HB3 4.300 . 6.000 3.708 3.004 5.141 . 0 0 "[ . 1 . 2]" 1
611 1 47 GLY HA2 1 48 MET H 3.500 . 5.100 3.418 3.314 3.535 . 0 0 "[ . 1 . 2]" 1
612 1 48 MET H 1 48 MET QG 3.500 . 5.000 3.982 3.922 4.029 . 0 0 "[ . 1 . 2]" 1
613 1 48 MET H 1 48 MET HB3 3.000 . 4.100 2.487 2.252 2.740 . 0 0 "[ . 1 . 2]" 1
614 1 48 MET H 1 48 MET ME 3.700 . 5.400 5.287 4.238 5.659 0.259 8 0 "[ . 1 . 2]" 1
615 1 10 VAL H 1 10 VAL HB 2.700 . 3.600 2.677 2.443 3.655 0.055 12 0 "[ . 1 . 2]" 1
616 1 10 VAL H 1 83 VAL HB 4.000 . 6.000 4.401 3.696 5.861 . 0 0 "[ . 1 . 2]" 1
617 1 48 MET H 1 50 LEU QB 3.900 . 5.800 4.692 4.115 5.519 . 0 0 "[ . 1 . 2]" 1
618 1 9 ALA MB 1 10 VAL H 3.600 . 5.200 3.159 2.725 3.362 . 0 0 "[ . 1 . 2]" 1
619 1 10 VAL H 1 10 VAL MG1 3.200 . 4.500 3.722 2.845 3.887 . 0 0 "[ . 1 . 2]" 1
620 1 51 ARG H 1 54 VAL H 5.100 . 6.000 4.681 4.556 4.822 . 0 0 "[ . 1 . 2]" 1
621 1 52 ALA H 1 54 VAL H 3.500 . 5.000 4.203 4.020 4.463 . 0 0 "[ . 1 . 2]" 1
622 1 15 HIS HD2 1 88 ILE H 5.700 . 6.000 4.311 3.869 4.708 . 0 0 "[ . 1 . 2]" 1
623 1 28 GLU H 1 29 ASP H 2.500 . 3.300 2.268 1.672 2.419 0.028 2 0 "[ . 1 . 2]" 1
624 1 58 ALA HA 1 62 LEU H 3.000 . 4.200 3.876 3.703 4.053 . 0 0 "[ . 1 . 2]" 1
625 1 62 LEU H 1 63 GLU HA 4.700 . 6.000 5.254 5.064 5.339 . 0 0 "[ . 1 . 2]" 1
626 1 29 ASP H 1 29 ASP QB 2.900 . 3.500 2.308 2.244 2.389 . 0 0 "[ . 1 . 2]" 1
627 1 28 GLU HB2 1 29 ASP H 3.800 . 5.600 3.641 2.844 4.356 . 0 0 "[ . 1 . 2]" 1
628 1 28 GLU HG3 1 29 ASP H 4.000 . 6.000 5.004 3.616 5.635 . 0 0 "[ . 1 . 2]" 1
629 1 62 LEU H 1 64 LYS QB 4.200 . 6.000 4.922 4.678 5.506 . 0 0 "[ . 1 . 2]" 1
630 1 62 LEU H 1 63 GLU HB2 4.500 . 6.000 4.809 4.601 4.970 . 0 0 "[ . 1 . 2]" 1
631 1 62 LEU H 1 68 ILE MD 4.000 . 6.000 3.962 3.372 4.476 . 0 0 "[ . 1 . 2]" 1
632 1 15 HIS HD2 1 88 ILE QG 4.600 . 6.000 3.942 3.374 4.237 . 0 0 "[ . 1 . 2]" 1
633 1 23 ALA H 1 26 TYR QD 3.200 . 6.000 4.885 4.251 5.558 . 0 0 "[ . 1 . 2]" 1
634 1 23 ALA H 1 23 ALA HA 2.700 . 3.600 2.910 2.862 2.948 . 0 0 "[ . 1 . 2]" 1
635 1 23 ALA H 1 63 GLU HG3 4.800 . 6.000 6.154 5.515 6.602 0.602 20 2 "[ -. 1 . +]" 1
636 1 21 ILE HG13 1 23 ALA H 4.100 . 6.000 5.240 4.923 5.650 . 0 0 "[ . 1 . 2]" 1
637 1 21 ILE MG 1 23 ALA H 5.000 . 6.000 4.312 4.140 4.535 . 0 0 "[ . 1 . 2]" 1
638 1 24 GLU H 1 26 TYR HA 2.400 . 6.000 6.025 5.818 6.135 0.135 11 0 "[ . 1 . 2]" 1
639 1 24 GLU H 1 24 GLU HB3 2.600 . 3.400 3.056 2.489 3.638 0.238 7 0 "[ . 1 . 2]" 1
640 1 23 ALA MB 1 24 GLU H 2.500 . 3.300 2.411 1.895 2.813 . 0 0 "[ . 1 . 2]" 1
641 1 69 ARG H 1 69 ARG HA 2.900 . 4.000 2.934 2.891 2.958 . 0 0 "[ . 1 . 2]" 1
642 1 69 ARG H 1 69 ARG HB3 3.800 . 5.600 3.198 2.507 3.895 . 0 0 "[ . 1 . 2]" 1
643 1 68 ILE QG 1 69 ARG H 2.900 . 3.900 3.330 3.023 3.783 . 0 0 "[ . 1 . 2]" 1
644 1 30 GLU HG3 1 34 ASN H 5.000 . 6.000 4.625 3.697 6.049 0.049 19 0 "[ . 1 . 2]" 1
645 1 26 TYR H 1 59 HIS HE1 4.300 . 6.000 4.760 4.172 5.087 . 0 0 "[ . 1 . 2]" 1
646 1 23 ALA H 1 26 TYR H 2.900 . 6.000 5.489 4.801 6.037 0.037 11 0 "[ . 1 . 2]" 1
647 1 26 TYR H 1 26 TYR HA 2.600 . 3.400 2.824 2.783 2.876 . 0 0 "[ . 1 . 2]" 1
648 1 24 GLU HB3 1 26 TYR H 3.800 . 5.600 5.154 4.835 5.633 0.033 5 0 "[ . 1 . 2]" 1
649 1 26 TYR H 1 27 ALA MB 4.000 . 6.000 4.285 4.156 4.360 . 0 0 "[ . 1 . 2]" 1
650 1 68 ILE H 1 69 ARG H 6.000 . 6.000 4.426 4.318 4.544 . 0 0 "[ . 1 . 2]" 1
651 1 65 ASN QD 1 68 ILE H 4.800 . 6.000 3.411 2.464 4.055 . 0 0 "[ . 1 . 2]" 1
652 1 68 ILE H 1 69 ARG HA 4.700 . 6.000 5.168 4.919 5.442 . 0 0 "[ . 1 . 2]" 1
653 1 66 PRO HA 1 68 ILE H 5.200 . 6.000 3.384 3.265 3.546 . 0 0 "[ . 1 . 2]" 1
654 1 68 ILE H 1 68 ILE HA 2.600 . 3.400 2.915 2.871 2.940 . 0 0 "[ . 1 . 2]" 1
655 1 65 ASN HB2 1 68 ILE H 3.100 . 6.000 5.039 4.197 6.064 0.064 12 0 "[ . 1 . 2]" 1
656 1 62 LEU QD 1 68 ILE H 4.300 . 5.400 3.598 3.186 4.755 . 0 0 "[ . 1 . 2]" 1
657 1 31 LEU HA 1 34 ASN H 4.800 . 6.000 3.584 3.214 3.971 . 0 0 "[ . 1 . 2]" 1
658 1 33 LEU HA 1 34 ASN H 3.700 . 5.400 3.565 3.529 3.597 . 0 0 "[ . 1 . 2]" 1
659 1 34 ASN H 1 34 ASN HB3 2.500 . 3.300 2.972 2.371 3.621 0.321 20 0 "[ . 1 . 2]" 1
660 1 34 ASN H 1 35 GLN H 2.700 . 3.600 2.601 2.474 2.790 . 0 0 "[ . 1 . 2]" 1
661 1 35 GLN H 1 35 GLN QE 4.200 . 6.000 3.461 2.861 4.082 . 0 0 "[ . 1 . 2]" 1
662 1 32 LEU HA 1 35 GLN H 3.300 . 4.700 3.758 3.166 3.957 . 0 0 "[ . 1 . 2]" 1
663 1 35 GLN H 1 35 GLN HB3 3.300 . 4.700 3.355 2.256 3.621 . 0 0 "[ . 1 . 2]" 1
664 1 31 LEU QD 1 35 GLN H 4.000 . 6.000 4.193 3.408 4.971 . 0 0 "[ . 1 . 2]" 1
665 1 76 ARG HA 1 78 VAL H 4.300 . 6.000 4.527 3.799 5.482 . 0 0 "[ . 1 . 2]" 1
666 1 77 ALA HA 1 78 VAL H 2.600 . 3.400 2.254 2.070 2.410 . 0 0 "[ . 1 . 2]" 1
667 1 78 VAL H 1 78 VAL HB 2.900 . 4.000 2.843 2.413 3.631 . 0 0 "[ . 1 . 2]" 1
668 1 77 ALA MB 1 78 VAL H 4.000 . 6.000 3.556 3.229 3.687 . 0 0 "[ . 1 . 2]" 1
669 1 78 VAL H 1 78 VAL QG 2.700 . 3.600 1.940 1.829 2.170 . 0 0 "[ . 1 . 2]" 1
670 1 53 TRP H 1 55 ILE H 3.800 . 5.600 4.291 4.217 4.349 . 0 0 "[ . 1 . 2]" 1
671 1 55 ILE H 1 59 HIS H 4.900 . 6.000 5.821 5.699 5.916 . 0 0 "[ . 1 . 2]" 1
672 1 63 GLU H 1 63 GLU HA 2.500 . 3.300 2.842 2.772 2.888 . 0 0 "[ . 1 . 2]" 1
673 1 59 HIS HA 1 63 GLU H 4.600 . 6.000 4.102 3.785 4.394 . 0 0 "[ . 1 . 2]" 1
674 1 55 ILE H 1 55 ILE HA 3.000 . 4.100 2.809 2.782 2.828 . 0 0 "[ . 1 . 2]" 1
675 1 63 GLU H 1 66 PRO HB3 5.300 . 6.000 4.945 4.636 5.065 . 0 0 "[ . 1 . 2]" 1
676 1 55 ILE H 1 55 ILE HG13 1.800 . 2.200 2.257 2.224 2.282 0.082 8 0 "[ . 1 . 2]" 1
677 1 61 ALA MB 1 63 GLU H 3.800 . 5.600 4.641 4.562 4.733 . 0 0 "[ . 1 . 2]" 1
678 1 55 ILE H 1 55 ILE HG12 3.300 . 4.700 3.523 3.460 3.608 . 0 0 "[ . 1 . 2]" 1
679 1 51 ARG H 1 52 ALA H 2.900 . 3.900 2.685 2.486 2.866 . 0 0 "[ . 1 . 2]" 1
680 1 52 ALA H 1 55 ILE H 3.600 . 5.200 4.769 4.629 4.874 . 0 0 "[ . 1 . 2]" 1
681 1 48 MET HA 1 52 ALA H 5.200 . 6.000 4.369 4.189 4.506 . 0 0 "[ . 1 . 2]" 1
682 1 52 ALA H 1 53 TRP HA 4.700 . 6.000 5.375 5.239 5.400 . 0 0 "[ . 1 . 2]" 1
683 1 52 ALA H 1 52 ALA HA 2.900 . 4.000 2.787 2.770 2.837 . 0 0 "[ . 1 . 2]" 1
684 1 51 ARG HA 1 52 ALA H 5.200 . 6.000 3.531 3.490 3.554 . 0 0 "[ . 1 . 2]" 1
685 1 49 PRO QD 1 52 ALA H 4.600 . 6.000 5.098 4.803 5.391 . 0 0 "[ . 1 . 2]" 1
686 1 51 ARG QB 1 52 ALA H 2.900 . 4.000 2.972 2.486 3.555 . 0 0 "[ . 1 . 2]" 1
687 1 52 ALA H 1 54 VAL HB 4.000 . 6.000 5.381 4.663 6.039 0.039 4 0 "[ . 1 . 2]" 1
688 1 52 ALA H 1 55 ILE HG13 3.600 . 6.000 5.241 5.106 5.413 . 0 0 "[ . 1 . 2]" 1
689 1 52 ALA H 1 52 ALA MB 2.400 . 3.100 2.228 2.215 2.257 . 0 0 "[ . 1 . 2]" 1
690 1 52 ALA H 1 55 ILE MG 4.700 . 6.000 6.202 6.133 6.269 0.269 19 0 "[ . 1 . 2]" 1
691 1 16 PHE H 1 16 PHE QD 3.400 . 4.800 3.513 2.742 3.797 . 0 0 "[ . 1 . 2]" 1
692 1 16 PHE H 1 87 VAL HA 6.000 . 6.000 5.005 4.597 5.643 . 0 0 "[ . 1 . 2]" 1
693 1 15 HIS HB2 1 16 PHE H 3.700 . 5.400 4.287 3.964 4.463 . 0 0 "[ . 1 . 2]" 1
694 1 16 PHE H 1 16 PHE HB2 2.800 . 3.800 2.536 2.408 2.754 . 0 0 "[ . 1 . 2]" 1
695 1 16 PHE H 1 88 ILE MG 4.000 . 6.000 4.301 3.945 4.580 . 0 0 "[ . 1 . 2]" 1
696 1 16 PHE H 1 87 VAL MG2 3.500 . 6.000 5.499 3.451 6.310 0.310 4 0 "[ . 1 . 2]" 1
697 1 59 HIS H 1 60 GLU H 3.200 . 4.500 2.784 2.684 2.913 . 0 0 "[ . 1 . 2]" 1
698 1 60 GLU H 1 63 GLU H 4.700 . 6.000 4.858 4.605 5.050 . 0 0 "[ . 1 . 2]" 1
699 1 60 GLU H 1 62 LEU H 5.400 . 6.000 4.203 4.069 4.278 . 0 0 "[ . 1 . 2]" 1
700 1 60 GLU H 1 60 GLU HA 2.700 . 3.600 2.818 2.793 2.843 . 0 0 "[ . 1 . 2]" 1
701 1 59 HIS HA 1 60 GLU H 3.700 . 5.400 3.558 3.545 3.578 . 0 0 "[ . 1 . 2]" 1
702 1 60 GLU H 1 60 GLU HG2 2.600 . 3.500 2.548 1.802 3.623 0.123 20 0 "[ . 1 . 2]" 1
703 1 60 GLU H 1 60 GLU HB3 2.600 . 3.500 3.457 2.671 3.598 0.098 3 0 "[ . 1 . 2]" 1
704 1 80 ASN HA 1 82 SER H 3.900 . 5.800 4.418 3.982 5.008 . 0 0 "[ . 1 . 2]" 1
705 1 33 LEU H 1 35 GLN H 4.500 . 6.000 4.081 3.871 4.363 . 0 0 "[ . 1 . 2]" 1
706 1 33 LEU H 1 36 MET H 4.800 . 6.000 4.757 4.610 4.872 . 0 0 "[ . 1 . 2]" 1
707 1 33 LEU H 1 34 ASN HA 5.000 . 6.000 5.265 5.197 5.331 . 0 0 "[ . 1 . 2]" 1
708 1 33 LEU H 1 33 LEU HA 2.700 . 3.600 2.820 2.781 2.844 . 0 0 "[ . 1 . 2]" 1
709 1 29 ASP QB 1 33 LEU H 6.000 . 6.000 4.182 3.970 4.667 . 0 0 "[ . 1 . 2]" 1
710 1 33 LEU H 1 33 LEU QB 2.500 . 2.800 2.108 1.998 2.217 . 0 0 "[ . 1 . 2]" 1
711 1 33 LEU H 1 33 LEU MD1 3.300 . 4.600 4.030 3.635 4.308 . 0 0 "[ . 1 . 2]" 1
712 1 19 LYS H 1 21 ILE H 4.400 . 6.000 4.144 3.997 4.366 . 0 0 "[ . 1 . 2]" 1
713 1 20 ARG H 1 21 ILE H 2.400 . 3.100 2.329 2.223 2.455 . 0 0 "[ . 1 . 2]" 1
714 1 21 ILE H 1 23 ALA H 4.200 . 6.000 3.972 3.726 4.311 . 0 0 "[ . 1 . 2]" 1
715 1 21 ILE H 1 21 ILE HA 2.800 . 3.800 2.855 2.830 2.870 . 0 0 "[ . 1 . 2]" 1
716 1 17 PRO QD 1 21 ILE H 5.100 . 6.000 4.205 3.649 4.638 . 0 0 "[ . 1 . 2]" 1
717 1 20 ARG QB 1 21 ILE H 3.300 . 4.700 2.988 2.605 3.676 . 0 0 "[ . 1 . 2]" 1
718 1 21 ILE H 1 21 ILE HB 2.800 . 3.800 2.626 2.517 2.747 . 0 0 "[ . 1 . 2]" 1
719 1 71 VAL H 1 73 LEU H 5.000 . 6.000 6.030 5.918 6.091 0.091 4 0 "[ . 1 . 2]" 1
720 1 71 VAL H 1 72 TYR H 3.600 . 5.200 4.424 4.366 4.485 . 0 0 "[ . 1 . 2]" 1
721 1 70 GLU HA 1 71 VAL H 2.200 . 2.800 2.344 2.265 2.459 . 0 0 "[ . 1 . 2]" 1
722 1 71 VAL H 1 71 VAL HB 3.200 . 4.500 3.533 2.656 3.938 . 0 0 "[ . 1 . 2]" 1
723 1 71 VAL H 1 87 VAL MG1 3.300 . 4.700 3.453 2.535 3.891 . 0 0 "[ . 1 . 2]" 1
724 1 31 LEU HA 1 32 LEU H 6.000 . 6.000 3.524 3.456 3.575 . 0 0 "[ . 1 . 2]" 1
725 1 29 ASP QB 1 32 LEU H 4.700 . 6.000 2.988 2.700 3.155 . 0 0 "[ . 1 . 2]" 1
726 1 32 LEU H 1 32 LEU QB 2.700 . 3.400 2.055 1.958 2.199 . 0 0 "[ . 1 . 2]" 1
727 1 32 LEU H 1 32 LEU HG 3.000 . 4.100 4.353 4.229 4.430 0.330 10 0 "[ . 1 . 2]" 1
728 1 32 LEU H 1 32 LEU QD 4.000 . 6.000 3.433 3.102 3.678 . 0 0 "[ . 1 . 2]" 1
729 1 69 ARG H 1 70 GLU H 1.900 . 2.300 1.815 1.599 2.126 . 0 0 "[ . 1 . 2]" 1
730 1 34 ASN H 1 36 MET H 4.800 . 6.000 4.232 4.043 4.383 . 0 0 "[ . 1 . 2]" 1
731 1 70 GLU H 1 89 PHE QD 3.600 . 5.200 3.286 2.819 3.900 . 0 0 "[ . 1 . 2]" 1
732 1 70 GLU H 1 70 GLU HA 2.900 . 4.000 2.846 2.830 2.876 . 0 0 "[ . 1 . 2]" 1
733 1 33 LEU HA 1 36 MET H 3.600 . 5.200 3.744 3.490 4.005 . 0 0 "[ . 1 . 2]" 1
734 1 35 GLN QG 1 36 MET H 5.100 . 6.000 4.154 2.077 4.493 . 0 0 "[ . 1 . 2]" 1
735 1 68 ILE HB 1 70 GLU H 3.200 . 4.500 2.706 2.406 3.151 . 0 0 "[ . 1 . 2]" 1
736 1 68 ILE QG 1 70 GLU H 6.000 . 6.000 3.997 3.651 4.744 . 0 0 "[ . 1 . 2]" 1
737 1 32 LEU HG 1 36 MET H 3.600 . 5.200 4.873 4.552 5.474 0.274 20 0 "[ . 1 . 2]" 1
738 1 70 GLU H 1 88 ILE QG 5.000 . 6.000 5.772 5.643 5.844 . 0 0 "[ . 1 . 2]" 1
739 1 53 TRP HA 1 57 CYS H 4.500 . 6.000 3.779 3.655 4.045 . 0 0 "[ . 1 . 2]" 1
740 1 54 VAL HA 1 57 CYS H 4.200 . 6.000 3.515 3.137 3.690 . 0 0 "[ . 1 . 2]" 1
741 1 57 CYS H 1 73 LEU QD 3.900 . 5.800 4.331 4.084 4.855 . 0 0 "[ . 1 . 2]" 1
742 1 41 ASP H 1 42 THR H 2.500 . 3.300 2.446 1.942 2.692 . 0 0 "[ . 1 . 2]" 1
743 1 41 ASP H 1 43 PRO HA 4.400 . 6.000 5.936 5.235 6.081 0.081 14 0 "[ . 1 . 2]" 1
744 1 41 ASP H 1 42 THR MG 3.900 . 5.800 4.917 3.784 5.907 0.107 18 0 "[ . 1 . 2]" 1
745 1 63 GLU H 1 64 LYS H 2.300 . 3.000 2.594 2.455 2.784 . 0 0 "[ . 1 . 2]" 1
746 1 62 LEU H 1 64 LYS H 5.200 . 6.000 3.987 3.866 4.182 . 0 0 "[ . 1 . 2]" 1
747 1 64 LYS H 1 65 ASN HA 5.800 . 6.000 5.061 4.820 5.168 . 0 0 "[ . 1 . 2]" 1
748 1 64 LYS H 1 64 LYS HA 2.600 . 3.500 2.858 2.812 2.937 . 0 0 "[ . 1 . 2]" 1
749 1 64 LYS H 1 64 LYS QB 2.200 . 2.800 2.293 2.174 2.483 . 0 0 "[ . 1 . 2]" 1
750 1 59 HIS H 1 59 HIS HB3 2.500 . 3.300 2.667 2.493 2.788 . 0 0 "[ . 1 . 2]" 1
751 1 59 HIS H 1 59 HIS HB2 2.400 . 3.100 2.347 2.169 2.512 . 0 0 "[ . 1 . 2]" 1
752 1 58 ALA MB 1 59 HIS H 2.600 . 3.400 2.555 2.491 2.632 . 0 0 "[ . 1 . 2]" 1
753 1 59 HIS H 1 62 LEU QB 4.100 . 6.000 4.846 4.670 5.038 . 0 0 "[ . 1 . 2]" 1
754 1 21 ILE HG13 1 59 HIS H 6.000 . 6.000 4.197 3.781 4.617 . 0 0 "[ . 1 . 2]" 1
755 1 65 ASN HA 1 67 LYS H 3.800 . 5.600 3.824 3.525 4.150 . 0 0 "[ . 1 . 2]" 1
756 1 65 ASN HB2 1 67 LYS H 3.300 . 4.600 3.824 3.313 5.281 0.681 12 1 "[ . 1 + . 2]" 1
757 1 67 LYS H 1 67 LYS QE 3.600 . 5.200 4.452 3.213 4.993 . 0 0 "[ . 1 . 2]" 1
758 1 67 LYS H 1 68 ILE MG 6.000 . 6.000 3.234 2.839 3.802 . 0 0 "[ . 1 . 2]" 1
759 1 27 ALA H 1 28 GLU H 2.700 . 3.600 2.603 2.382 3.617 0.017 2 0 "[ . 1 . 2]" 1
760 1 25 GLY QA 1 28 GLU H 6.000 . 6.000 3.699 3.011 5.174 . 0 0 "[ . 1 . 2]" 1
761 1 28 GLU H 1 29 ASP QB 4.100 . 6.000 4.010 3.528 4.415 . 0 0 "[ . 1 . 2]" 1
762 1 28 GLU H 1 28 GLU HB3 2.900 . 4.000 3.362 2.520 3.737 . 0 0 "[ . 1 . 2]" 1
763 1 27 ALA MB 1 28 GLU H 3.000 . 4.100 3.128 2.837 3.675 . 0 0 "[ . 1 . 2]" 1
764 1 65 ASN H 1 65 ASN HA 3.000 . 4.100 2.908 2.877 2.929 . 0 0 "[ . 1 . 2]" 1
765 1 61 ALA HA 1 65 ASN H 2.600 . 6.000 4.512 3.799 5.034 . 0 0 "[ . 1 . 2]" 1
766 1 65 ASN H 1 65 ASN HB2 3.300 . 4.700 3.708 3.240 3.875 . 0 0 "[ . 1 . 2]" 1
767 1 65 ASN H 1 65 ASN HB3 3.900 . 5.800 3.311 2.655 3.588 . 0 0 "[ . 1 . 2]" 1
768 1 64 LYS QB 1 65 ASN H 2.600 . 3.400 2.709 2.350 3.301 . 0 0 "[ . 1 . 2]" 1
769 1 65 ASN H 1 68 ILE QG 4.900 . 6.000 4.695 4.345 4.987 . 0 0 "[ . 1 . 2]" 1
770 1 19 LYS HA 1 20 ARG H 3.100 . 4.300 3.498 3.422 3.559 . 0 0 "[ . 1 . 2]" 1
771 1 17 PRO QD 1 20 ARG H 5.200 . 6.000 4.685 4.221 5.066 . 0 0 "[ . 1 . 2]" 1
772 1 20 ARG H 1 21 ILE MG 4.900 . 6.000 3.558 3.320 3.738 . 0 0 "[ . 1 . 2]" 1
773 1 18 LEU H 1 19 LYS H 2.900 . 4.000 2.916 2.773 3.086 . 0 0 "[ . 1 . 2]" 1
774 1 19 LYS H 1 91 GLU HA 4.500 . 6.000 4.342 2.959 5.759 . 0 0 "[ . 1 . 2]" 1
775 1 19 LYS H 1 89 PHE QB 5.000 . 6.000 5.803 5.672 5.916 . 0 0 "[ . 1 . 2]" 1
776 1 17 PRO HG3 1 19 LYS H 5.000 . 6.000 6.138 5.885 6.391 0.391 9 0 "[ . 1 . 2]" 1
777 1 40 ASN HD21 1 51 ARG H 4.100 . 6.000 3.596 2.998 4.447 . 0 0 "[ . 1 . 2]" 1
778 1 40 ASN HD21 1 48 MET HA 3.400 . 4.900 4.619 3.419 5.093 0.193 16 0 "[ . 1 . 2]" 1
779 1 40 ASN HA 1 40 ASN HD21 2.000 . 2.500 2.189 1.681 2.615 0.115 8 0 "[ . 1 . 2]" 1
780 1 81 SER H 1 82 SER HA 4.500 . 6.000 5.649 5.344 5.823 . 0 0 "[ . 1 . 2]" 1
781 1 40 ASN QB 1 40 ASN HD21 3.900 . 5.800 2.510 2.247 2.766 . 0 0 "[ . 1 . 2]" 1
782 1 50 LEU HA 1 51 ARG H 4.100 . 6.000 3.539 3.492 3.593 . 0 0 "[ . 1 . 2]" 1
783 1 51 ARG H 1 51 ARG QB 2.400 . 3.100 2.280 1.981 2.683 0.019 8 0 "[ . 1 . 2]" 1
784 1 51 ARG H 1 55 ILE HG13 3.900 . 6.000 5.799 5.485 5.968 . 0 0 "[ . 1 . 2]" 1
785 1 14 ILE MD 1 51 ARG H 4.400 . 6.000 6.086 5.973 6.166 0.166 18 0 "[ . 1 . 2]" 1
786 1 41 ASP QB 1 42 THR H 4.100 . 6.000 2.817 2.423 3.661 . 0 0 "[ . 1 . 2]" 1
787 1 42 THR H 1 42 THR MG 2.900 . 4.000 3.204 2.233 3.948 . 0 0 "[ . 1 . 2]" 1
788 1 77 ALA H 1 78 VAL H 3.700 . 5.400 4.012 3.675 4.428 . 0 0 "[ . 1 . 2]" 1
789 1 75 PRO HA 1 77 ALA H 6.000 . 6.000 4.218 3.666 4.981 . 0 0 "[ . 1 . 2]" 1
790 1 76 ARG QB 1 77 ALA H 2.700 . 3.600 2.618 2.179 3.090 . 0 0 "[ . 1 . 2]" 1
791 1 37 GLY H 1 38 LYS H 4.400 . 6.000 2.214 1.963 2.782 0.037 10 0 "[ . 1 . 2]" 1
792 1 36 MET H 1 37 GLY H 2.800 . 3.800 2.468 2.303 2.593 . 0 0 "[ . 1 . 2]" 1
793 1 37 GLY H 1 37 GLY HA3 2.400 . 3.100 2.354 2.292 2.409 . 0 0 "[ . 1 . 2]" 1
794 1 53 TRP HE1 1 76 ARG H 3.600 . 5.200 3.658 2.890 4.178 . 0 0 "[ . 1 . 2]" 1
795 1 45 GLU QG 1 53 TRP HE1 3.700 . 5.400 3.920 2.808 4.790 . 0 0 "[ . 1 . 2]" 1
796 1 83 VAL H 1 84 GLN HE21 3.500 . 6.000 5.165 3.120 6.469 0.469 2 0 "[ . 1 . 2]" 1
797 1 82 SER HA 1 84 GLN HE21 4.300 . 6.000 4.608 3.356 6.650 0.650 2 1 "[ + . 1 . 2]" 1
798 1 84 GLN HE21 1 84 GLN QG 3.900 . 5.800 2.275 2.144 2.782 . 0 0 "[ . 1 . 2]" 1
799 1 80 ASN HA 1 80 ASN QD 3.300 . 4.500 3.963 3.732 4.085 . 0 0 "[ . 1 . 2]" 1
800 1 45 GLU HA 1 80 ASN QD 3.700 . 5.400 2.806 1.747 4.736 0.253 4 0 "[ . 1 . 2]" 1
801 1 40 ASN HD22 1 48 MET HA 2.800 . 3.800 3.094 1.779 3.818 0.021 12 0 "[ . 1 . 2]" 1
802 1 40 ASN HA 1 40 ASN HD22 3.500 . 5.100 3.516 3.102 3.846 . 0 0 "[ . 1 . 2]" 1
803 1 40 ASN HD22 1 47 GLY HA3 6.000 . 6.000 4.373 3.362 5.189 . 0 0 "[ . 1 . 2]" 1
804 1 40 ASN HD22 1 51 ARG HA 4.900 . 6.000 3.875 2.936 6.038 0.038 2 0 "[ . 1 . 2]" 1
805 1 30 GLU H 1 34 ASN HD22 4.700 . 6.000 6.402 5.779 6.924 0.924 6 9 "[ * .+- *1* * * * *2]" 1
806 1 65 ASN QD 1 69 ARG H 5.300 . 6.000 5.329 5.154 5.495 . 0 0 "[ . 1 . 2]" 1
807 1 34 ASN H 1 34 ASN HD22 4.400 . 6.000 3.937 3.496 4.360 . 0 0 "[ . 1 . 2]" 1
808 1 64 LYS H 1 65 ASN QD 3.800 . 6.000 5.284 4.480 5.945 . 0 0 "[ . 1 . 2]" 1
809 1 15 HIS HA 1 35 GLN QE 3.700 . 6.000 5.234 4.802 5.627 . 0 0 "[ . 1 . 2]" 1
810 1 17 PRO HA 1 35 GLN QE 2.500 . 6.000 5.369 4.736 5.858 . 0 0 "[ . 1 . 2]" 1
811 1 31 LEU HA 1 34 ASN HD22 4.300 . 6.000 2.876 1.932 4.357 0.068 7 0 "[ . 1 . 2]" 1
812 1 32 LEU HA 1 35 GLN QE 5.100 . 6.000 2.620 1.522 3.578 0.278 9 0 "[ . 1 . 2]" 1
813 1 34 ASN HB3 1 34 ASN HD22 4.100 . 6.000 3.661 3.459 4.056 . 0 0 "[ . 1 . 2]" 1
814 1 16 PHE HB3 1 35 GLN QE 3.000 . 6.000 5.381 4.386 5.745 . 0 0 "[ . 1 . 2]" 1
815 1 30 GLU HG3 1 34 ASN HD22 4.300 . 6.000 4.327 1.986 6.153 0.153 19 0 "[ . 1 . 2]" 1
816 1 31 LEU HB3 1 35 GLN QE 4.300 . 6.000 3.022 1.971 4.037 0.029 1 0 "[ . 1 . 2]" 1
817 1 62 LEU QB 1 65 ASN QD 6.000 . 6.000 5.172 4.592 5.603 . 0 0 "[ . 1 . 2]" 1
818 1 15 HIS H 1 35 GLN QE 5.500 . 6.000 4.451 3.958 4.952 . 0 0 "[ . 1 . 2]" 1
819 1 65 ASN HA 1 65 ASN QD 4.200 . 6.000 3.842 3.553 4.063 . 0 0 "[ . 1 . 2]" 1
820 1 65 ASN HB3 1 65 ASN QD 2.800 . 3.800 3.021 2.074 3.349 . 0 0 "[ . 1 . 2]" 1
821 1 65 ASN QD 1 68 ILE HB 5.400 . 6.000 3.836 3.674 4.051 . 0 0 "[ . 1 . 2]" 1
822 1 65 ASN QD 1 67 LYS HB2 3.600 . 5.200 4.520 2.653 5.105 . 0 0 "[ . 1 . 2]" 1
823 1 65 ASN QD 1 68 ILE MG 3.200 . 4.500 1.803 1.687 2.159 0.313 3 0 "[ . 1 . 2]" 1
824 1 34 ASN HD21 1 35 GLN QE 3.200 . 6.000 5.306 4.224 6.393 0.393 18 0 "[ . 1 . 2]" 1
825 1 12 VAL H 1 84 GLN H 3.300 . 6.000 3.759 3.471 4.029 . 0 0 "[ . 1 . 2]" 1
826 1 12 VAL H 1 85 PHE HA 3.100 . 4.300 2.751 2.445 3.132 . 0 0 "[ . 1 . 2]" 1
827 1 14 ILE H 1 87 VAL HA 3.300 . 4.700 2.893 2.561 3.154 . 0 0 "[ . 1 . 2]" 1
828 1 16 PHE H 1 89 PHE HA 2.700 . 3.600 2.873 2.599 3.095 . 0 0 "[ . 1 . 2]" 1
829 1 22 ALA H 1 23 ALA H 2.500 . 3.300 2.470 2.199 2.773 . 0 0 "[ . 1 . 2]" 1
830 1 23 ALA H 1 24 GLU H 4.800 . 6.000 4.521 4.359 4.607 . 0 0 "[ . 1 . 2]" 1
831 1 24 GLU H 1 25 GLY H 3.400 . 4.800 2.759 2.209 4.502 . 0 0 "[ . 1 . 2]" 1
832 1 25 GLY H 1 26 TYR H 3.400 . 4.900 2.945 2.006 3.780 . 0 0 "[ . 1 . 2]" 1
833 1 30 GLU H 1 31 LEU H 2.900 . 3.900 2.613 2.492 2.766 . 0 0 "[ . 1 . 2]" 1
834 1 31 LEU H 1 32 LEU H 2.500 . 3.300 2.599 2.343 2.742 . 0 0 "[ . 1 . 2]" 1
835 1 32 LEU H 1 33 LEU H 2.600 . 3.400 2.507 2.374 2.681 . 0 0 "[ . 1 . 2]" 1
836 1 33 LEU H 1 34 ASN H 2.800 . 3.800 2.681 2.569 2.753 . 0 0 "[ . 1 . 2]" 1
837 1 53 TRP HE1 1 73 LEU QD 4.100 . 6.000 5.318 3.521 5.772 . 0 0 "[ . 1 . 2]" 1
838 1 52 ALA H 1 53 TRP H 2.700 . 3.600 2.847 2.596 2.893 . 0 0 "[ . 1 . 2]" 1
839 1 54 VAL H 1 55 ILE H 2.700 . 3.600 2.702 2.604 2.809 . 0 0 "[ . 1 . 2]" 1
840 1 55 ILE H 1 56 LYS H 2.600 . 3.500 2.718 2.637 2.828 . 0 0 "[ . 1 . 2]" 1
841 1 58 ALA H 1 59 HIS H 2.300 . 3.000 2.620 2.578 2.680 . 0 0 "[ . 1 . 2]" 1
842 1 60 GLU H 1 61 ALA H 2.700 . 3.600 2.667 2.578 2.754 . 0 0 "[ . 1 . 2]" 1
843 1 61 ALA H 1 62 LEU H 2.500 . 3.300 2.672 2.569 2.747 . 0 0 "[ . 1 . 2]" 1
844 1 62 LEU H 1 63 GLU H 2.600 . 3.400 2.664 2.422 2.770 . 0 0 "[ . 1 . 2]" 1
845 1 14 ILE H 1 86 HIS H 4.200 . 6.000 3.611 3.381 3.778 . 0 0 "[ . 1 . 2]" 1
846 1 71 VAL H 1 87 VAL H 2.900 . 4.000 3.476 3.236 3.655 . 0 0 "[ . 1 . 2]" 1
847 1 72 TYR HA 1 87 VAL H 3.200 . 6.000 3.261 2.687 3.603 . 0 0 "[ . 1 . 2]" 1
848 1 15 HIS HA 1 88 ILE H 2.900 . 4.000 2.809 2.514 2.995 . 0 0 "[ . 1 . 2]" 1
849 1 19 LYS HD3 1 19 LYS QE 1.700 . 2.200 2.246 2.142 2.396 0.196 4 0 "[ . 1 . 2]" 1
850 1 74 LYS QE 1 84 GLN HA 1.900 . 6.000 4.534 2.963 5.651 . 0 0 "[ . 1 . 2]" 1
851 1 63 GLU HA 1 64 LYS QB 2.400 . 6.000 5.216 5.127 5.528 . 0 0 "[ . 1 . 2]" 1
852 1 74 LYS QE 1 74 LYS QG 2.000 . 2.500 2.234 2.073 2.405 . 0 0 "[ . 1 . 2]" 1
853 1 36 MET ME 1 51 ARG QB 2.000 . 2.500 2.248 1.985 2.537 0.037 15 0 "[ . 1 . 2]" 1
854 1 19 LYS HA 1 19 LYS HB3 2.100 . 2.700 2.471 2.269 2.623 . 0 0 "[ . 1 . 2]" 1
855 1 74 LYS HD3 1 84 GLN HA 2.300 . 6.000 5.321 3.938 6.274 0.274 8 0 "[ . 1 . 2]" 1
856 1 74 LYS QG 1 78 VAL QG 2.400 . 6.000 4.351 2.363 5.772 . 0 0 "[ . 1 . 2]" 1
857 1 31 LEU QD 1 31 LEU HG 2.200 . 2.800 1.891 1.885 1.898 . 0 0 "[ . 1 . 2]" 1
858 1 12 VAL QG 1 39 VAL QG 2.200 . 2.800 2.039 1.688 2.456 0.012 4 0 "[ . 1 . 2]" 1
859 1 27 ALA HA 1 27 ALA MB 2.200 . 2.800 2.127 2.121 2.132 . 0 0 "[ . 1 . 2]" 1
860 1 44 GLU HB2 1 83 VAL QG 2.000 . 6.000 3.613 2.787 4.827 . 0 0 "[ . 1 . 2]" 1
861 1 18 LEU QD 1 18 LEU HG 2.200 . 2.800 1.891 1.870 1.899 . 0 0 "[ . 1 . 2]" 1
862 1 16 PHE QD 1 58 ALA MB 2.200 . 6.000 2.609 2.199 3.467 . 0 0 "[ . 1 . 2]" 1
863 1 36 MET ME 1 54 VAL MG1 2.200 . 2.800 2.178 1.792 2.836 0.036 7 0 "[ . 1 . 2]" 1
864 1 14 ILE HB 1 14 ILE MD 2.200 . 2.800 2.457 2.404 2.521 . 0 0 "[ . 1 . 2]" 1
865 1 87 VAL HB 1 87 VAL MG2 2.200 . 2.800 2.128 2.124 2.131 . 0 0 "[ . 1 . 2]" 1
866 1 88 ILE HB 1 88 ILE MG 2.100 . 2.700 2.124 2.119 2.130 . 0 0 "[ . 1 . 2]" 1
867 1 33 LEU HA 1 33 LEU QB 2.200 . 2.800 2.457 2.357 2.519 . 0 0 "[ . 1 . 2]" 1
868 1 12 VAL QG 1 39 VAL HA 2.500 . 6.000 3.966 3.388 4.622 . 0 0 "[ . 1 . 2]" 1
869 1 78 VAL HA 1 78 VAL QG 2.300 . 3.000 2.192 2.128 2.289 . 0 0 "[ . 1 . 2]" 1
870 1 14 ILE MD 1 54 VAL MG2 2.400 . 3.100 2.473 2.003 3.066 . 0 0 "[ . 1 . 2]" 1
871 1 20 ARG QD 1 20 ARG HG3 2.300 . 3.000 2.279 2.144 2.467 . 0 0 "[ . 1 . 2]" 1
872 1 57 CYS HB3 1 73 LEU QD 2.200 . 3.600 2.651 2.216 4.099 0.499 20 0 "[ . 1 . 2]" 1
873 1 23 ALA H 1 23 ALA MB 2.300 . 2.900 2.327 2.236 2.574 . 0 0 "[ . 1 . 2]" 1
874 1 58 ALA HA 1 58 ALA MB 2.200 . 2.800 2.129 2.127 2.134 . 0 0 "[ . 1 . 2]" 1
875 1 40 ASN QB 1 41 ASP QB 1.900 . 6.000 4.086 3.569 4.692 . 0 0 "[ . 1 . 2]" 1
876 1 36 MET ME 1 39 VAL QG 2.400 . 3.100 2.892 2.272 3.130 0.030 8 0 "[ . 1 . 2]" 1
877 1 50 LEU QD 1 50 LEU HG 2.200 . 2.800 1.892 1.883 1.903 . 0 0 "[ . 1 . 2]" 1
878 1 88 ILE MD 1 88 ILE MG 2.400 . 3.100 2.263 1.935 3.169 0.069 10 0 "[ . 1 . 2]" 1
879 1 87 VAL MG1 1 87 VAL MG2 2.300 . 3.000 2.080 2.069 2.087 . 0 0 "[ . 1 . 2]" 1
880 1 12 VAL QG 1 14 ILE HB 2.700 . 6.000 4.913 4.084 5.879 . 0 0 "[ . 1 . 2]" 1
881 1 48 MET ME 1 52 ALA MB 2.400 . 3.100 2.857 2.488 3.195 0.095 5 0 "[ . 1 . 2]" 1
882 1 42 THR HB 1 43 PRO HA 2.400 . 6.000 5.110 4.656 6.081 0.081 10 0 "[ . 1 . 2]" 1
883 1 45 GLU QG 1 83 VAL QG 2.000 . 6.000 3.725 2.659 4.745 . 0 0 "[ . 1 . 2]" 1
884 1 66 PRO HA 1 66 PRO HB3 2.200 . 2.800 2.318 2.303 2.346 . 0 0 "[ . 1 . 2]" 1
885 1 54 VAL HB 1 54 VAL MG2 2.200 . 2.800 2.122 2.117 2.126 . 0 0 "[ . 1 . 2]" 1
886 1 23 ALA MB 1 26 TYR HA 2.400 . 6.000 3.627 2.925 4.719 . 0 0 "[ . 1 . 2]" 1
887 1 33 LEU QB 1 33 LEU MD1 2.500 . 3.300 2.256 2.077 2.321 . 0 0 "[ . 1 . 2]" 1
888 1 21 ILE MG 1 62 LEU QD 2.300 . 3.000 2.057 1.741 2.589 . 0 0 "[ . 1 . 2]" 1
889 1 33 LEU MD1 1 33 LEU HG 2.300 . 3.000 2.125 2.117 2.133 . 0 0 "[ . 1 . 2]" 1
890 1 54 VAL HA 1 54 VAL MG1 2.400 . 3.100 2.978 2.599 3.176 0.076 15 0 "[ . 1 . 2]" 1
891 1 55 ILE MD 1 55 ILE HG13 2.200 . 2.800 2.119 2.117 2.122 . 0 0 "[ . 1 . 2]" 1
892 1 16 PHE QE 1 87 VAL MG2 2.400 . 3.100 2.940 2.559 3.810 0.710 1 1 "[+ . 1 . 2]" 1
893 1 55 ILE HA 1 55 ILE HG12 2.200 . 2.800 2.452 2.385 2.527 . 0 0 "[ . 1 . 2]" 1
894 1 68 ILE H 1 68 ILE MG 2.200 . 2.800 2.740 2.402 2.876 0.076 3 0 "[ . 1 . 2]" 1
895 1 28 GLU HA 1 28 GLU HB2 2.400 . 3.100 2.870 2.454 3.027 . 0 0 "[ . 1 . 2]" 1
896 1 58 ALA H 1 58 ALA MB 2.300 . 3.000 2.237 2.221 2.247 . 0 0 "[ . 1 . 2]" 1
897 1 88 ILE HB 1 88 ILE MD 2.400 . 3.100 2.376 2.282 2.432 . 0 0 "[ . 1 . 2]" 1
898 1 30 GLU HA 1 30 GLU HB3 2.500 . 3.300 3.016 3.006 3.023 . 0 0 "[ . 1 . 2]" 1
899 1 62 LEU HA 1 62 LEU QB 2.600 . 3.000 2.350 2.305 2.384 . 0 0 "[ . 1 . 2]" 1
900 1 43 PRO HD3 1 43 PRO HG3 2.200 . 2.800 2.265 2.239 2.287 . 0 0 "[ . 1 . 2]" 1
901 1 68 ILE QG 1 68 ILE MG 2.900 . 4.000 2.313 2.080 2.434 . 0 0 "[ . 1 . 2]" 1
902 1 43 PRO HA 1 44 GLU HA 2.700 . 6.000 5.038 4.900 5.195 . 0 0 "[ . 1 . 2]" 1
903 1 34 ASN HA 1 34 ASN HB3 2.400 . 3.100 2.564 2.469 2.633 . 0 0 "[ . 1 . 2]" 1
904 1 54 VAL HB 1 54 VAL MG1 2.300 . 3.000 2.126 2.115 2.140 . 0 0 "[ . 1 . 2]" 1
905 1 82 SER HA 1 82 SER HB3 2.400 . 3.100 2.444 2.299 3.020 . 0 0 "[ . 1 . 2]" 1
906 1 68 ILE HB 1 68 ILE MG 2.200 . 2.800 2.115 2.096 2.122 . 0 0 "[ . 1 . 2]" 1
907 1 45 GLU HA 1 83 VAL QG 2.100 . 6.000 4.412 3.274 5.274 . 0 0 "[ . 1 . 2]" 1
908 1 14 ILE MD 1 14 ILE MG 2.400 . 3.100 1.951 1.889 2.016 . 0 0 "[ . 1 . 2]" 1
909 1 88 ILE HB 1 88 ILE QG 2.400 . 3.100 2.402 2.370 2.470 . 0 0 "[ . 1 . 2]" 1
910 1 33 LEU HA 1 33 LEU MD1 2.500 . 3.300 2.362 1.885 3.790 0.490 15 0 "[ . 1 . 2]" 1
911 1 80 ASN HA 1 81 SER HB3 2.600 . 6.000 5.437 4.215 5.969 . 0 0 "[ . 1 . 2]" 1
912 1 90 ASP HA 1 90 ASP QB 2.500 . 3.300 2.413 2.345 2.484 . 0 0 "[ . 1 . 2]" 1
913 1 21 ILE HA 1 21 ILE MD 2.400 . 3.100 2.009 1.912 2.156 . 0 0 "[ . 1 . 2]" 1
914 1 55 ILE HB 1 55 ILE MG 2.400 . 3.100 2.121 2.114 2.127 . 0 0 "[ . 1 . 2]" 1
915 1 24 GLU HA 1 24 GLU HB3 2.500 . 3.300 2.724 2.357 3.029 . 0 0 "[ . 1 . 2]" 1
916 1 14 ILE MD 1 36 MET ME 2.400 . 3.100 2.211 1.937 2.492 . 0 0 "[ . 1 . 2]" 1
917 1 88 ILE QG 1 88 ILE MG 2.500 . 3.300 2.245 2.067 2.328 . 0 0 "[ . 1 . 2]" 1
918 1 73 LEU HA 1 73 LEU QD 2.500 . 3.300 2.199 1.826 3.297 . 0 0 "[ . 1 . 2]" 1
919 1 10 VAL HA 1 10 VAL MG1 2.500 . 3.300 2.380 2.245 2.463 . 0 0 "[ . 1 . 2]" 1
920 1 13 GLU HG3 1 88 ILE MD 2.100 . 6.000 4.650 3.604 6.013 0.013 2 0 "[ . 1 . 2]" 1
921 1 19 LYS H 1 19 LYS HB3 2.500 . 6.000 3.320 2.571 3.625 . 0 0 "[ . 1 . 2]" 1
922 1 16 PHE HA 1 17 PRO QD 2.300 . 3.000 1.940 1.807 2.109 0.093 13 0 "[ . 1 . 2]" 1
923 1 38 LYS HA 1 38 LYS HB2 2.500 . 3.300 2.651 2.386 3.018 . 0 0 "[ . 1 . 2]" 1
924 1 47 GLY H 1 47 GLY HA2 2.300 . 3.000 2.720 2.553 2.908 . 0 0 "[ . 1 . 2]" 1
925 1 43 PRO HA 1 44 GLU H 2.500 . 3.300 3.191 3.021 3.463 0.163 17 0 "[ . 1 . 2]" 1
926 1 42 THR HA 1 42 THR MG 2.600 . 3.500 2.439 2.155 3.222 . 0 0 "[ . 1 . 2]" 1
927 1 12 VAL H 1 12 VAL QG 2.700 . 3.600 2.508 2.289 2.723 . 0 0 "[ . 1 . 2]" 1
928 1 36 MET ME 1 54 VAL HB 2.600 . 3.400 3.332 2.393 3.532 0.132 10 0 "[ . 1 . 2]" 1
929 1 61 ALA HA 1 71 VAL QG 2.200 . 6.000 4.655 4.313 5.015 . 0 0 "[ . 1 . 2]" 1
930 1 55 ILE HB 1 55 ILE MD 2.500 . 3.300 2.425 2.377 2.470 . 0 0 "[ . 1 . 2]" 1
931 1 39 VAL HA 1 40 ASN HA 2.800 . 6.000 4.421 4.325 4.531 . 0 0 "[ . 1 . 2]" 1
932 1 40 ASN HA 1 41 ASP QB 3.000 . 6.000 5.215 4.981 5.483 . 0 0 "[ . 1 . 2]" 1
933 1 73 LEU HB3 1 73 LEU QD 2.500 . 3.300 2.124 2.023 2.337 . 0 0 "[ . 1 . 2]" 1
934 1 73 LEU HB2 1 73 LEU QD 2.600 . 3.400 2.219 2.100 2.308 . 0 0 "[ . 1 . 2]" 1
935 1 61 ALA MB 1 62 LEU H 2.600 . 3.400 2.525 2.455 2.682 . 0 0 "[ . 1 . 2]" 1
936 1 36 MET ME 1 51 ARG HA 2.500 . 3.300 1.999 1.766 2.522 . 0 0 "[ . 1 . 2]" 1
937 1 74 LYS HA 1 75 PRO QD 2.600 . 3.100 1.934 1.811 2.045 . 0 0 "[ . 1 . 2]" 1
938 1 58 ALA MB 1 87 VAL MG2 2.600 . 3.500 2.658 2.209 2.937 . 0 0 "[ . 1 . 2]" 1
939 1 35 GLN HA 1 35 GLN HB3 2.500 . 3.300 2.683 2.503 2.952 . 0 0 "[ . 1 . 2]" 1
940 1 52 ALA HA 1 55 ILE MD 2.700 . 3.600 3.577 3.292 3.690 0.090 13 0 "[ . 1 . 2]" 1
941 1 45 GLU HA 1 46 GLU H 2.800 . 3.800 3.524 3.357 3.571 . 0 0 "[ . 1 . 2]" 1
942 1 18 LEU HA 1 18 LEU QD 2.900 . 4.000 2.446 1.934 3.071 . 0 0 "[ . 1 . 2]" 1
943 1 68 ILE H 1 68 ILE HB 2.900 . 4.000 3.658 3.598 3.716 . 0 0 "[ . 1 . 2]" 1
944 1 18 LEU QD 1 89 PHE QB 2.900 . 3.900 2.164 1.960 2.841 . 0 0 "[ . 1 . 2]" 1
945 1 17 PRO HA 1 90 ASP QB 2.600 . 3.500 2.490 1.998 3.204 . 0 0 "[ . 1 . 2]" 1
946 1 21 ILE MD 1 58 ALA MB 2.700 . 3.600 2.847 2.546 3.177 . 0 0 "[ . 1 . 2]" 1
947 1 88 ILE H 1 88 ILE MD 2.800 . 3.800 3.413 2.104 3.872 0.072 5 0 "[ . 1 . 2]" 1
948 1 48 MET HB3 1 48 MET ME 2.900 . 4.000 3.588 2.041 4.175 0.175 17 0 "[ . 1 . 2]" 1
949 1 74 LYS QE 1 80 ASN HB3 3.000 . 6.000 4.982 3.673 5.819 . 0 0 "[ . 1 . 2]" 1
950 1 50 LEU QD 1 85 PHE QD 2.900 . 4.000 3.601 3.039 4.021 0.021 16 0 "[ . 1 . 2]" 1
951 1 43 PRO HG3 1 46 GLU HB3 3.100 . 6.000 5.994 5.739 6.090 0.090 7 0 "[ . 1 . 2]" 1
952 1 31 LEU HA 1 34 ASN HB3 3.200 . 4.500 4.316 3.968 4.608 0.108 20 0 "[ . 1 . 2]" 1
953 1 31 LEU H 1 31 LEU HB3 2.900 . 4.000 2.966 2.466 3.407 . 0 0 "[ . 1 . 2]" 1
954 1 10 VAL HB 1 83 VAL QG 2.700 . 3.600 2.545 1.956 3.709 0.109 3 0 "[ . 1 . 2]" 1
955 1 71 VAL QG 1 87 VAL HB 2.700 . 3.600 2.028 1.770 3.730 0.130 13 0 "[ . 1 . 2]" 1
956 1 53 TRP HE3 1 54 VAL MG1 2.900 . 6.000 5.185 3.505 5.562 . 0 0 "[ . 1 . 2]" 1
957 1 31 LEU HA 1 31 LEU HB3 2.800 . 3.800 2.856 2.351 3.025 . 0 0 "[ . 1 . 2]" 1
958 1 62 LEU H 1 62 LEU QD 3.200 . 4.500 3.701 3.646 3.759 . 0 0 "[ . 1 . 2]" 1
959 1 87 VAL HA 1 87 VAL MG2 2.700 . 3.600 2.342 2.255 2.412 . 0 0 "[ . 1 . 2]" 1
960 1 16 PHE HA 1 89 PHE QE 3.400 . 6.000 5.480 5.180 5.758 . 0 0 "[ . 1 . 2]" 1
961 1 54 VAL HA 1 73 LEU QD 2.700 . 3.600 2.632 2.385 3.324 . 0 0 "[ . 1 . 2]" 1
962 1 33 LEU HA 1 55 ILE MD 2.300 . 6.000 4.259 3.665 5.109 . 0 0 "[ . 1 . 2]" 1
963 1 68 ILE HA 1 68 ILE HB 2.600 . 3.500 2.509 2.453 2.581 . 0 0 "[ . 1 . 2]" 1
964 1 80 ASN HA 1 80 ASN HB3 2.700 . 3.600 2.611 2.287 3.017 . 0 0 "[ . 1 . 2]" 1
965 1 49 PRO QD 1 52 ALA MB 2.400 . 6.000 4.918 4.692 5.153 . 0 0 "[ . 1 . 2]" 1
966 1 80 ASN HA 1 80 ASN HB2 3.000 . 4.100 2.863 2.523 3.018 . 0 0 "[ . 1 . 2]" 1
967 1 81 SER HA 1 81 SER HB3 2.800 . 3.800 2.553 2.402 3.025 . 0 0 "[ . 1 . 2]" 1
968 1 88 ILE H 1 88 ILE MG 3.300 . 4.700 3.785 3.743 3.819 . 0 0 "[ . 1 . 2]" 1
969 1 85 PHE H 1 85 PHE HB3 3.400 . 4.800 3.685 3.598 3.793 . 0 0 "[ . 1 . 2]" 1
970 1 14 ILE HA 1 14 ILE MD 3.500 . 5.100 3.899 3.780 4.035 . 0 0 "[ . 1 . 2]" 1
971 1 55 ILE HG13 1 55 ILE MG 3.400 . 4.800 3.201 3.194 3.206 . 0 0 "[ . 1 . 2]" 1
972 1 30 GLU HG3 1 31 LEU HA 3.200 . 6.000 5.229 4.248 5.832 . 0 0 "[ . 1 . 2]" 1
973 1 21 ILE HG12 1 58 ALA MB 2.900 . 3.900 3.027 2.527 3.380 . 0 0 "[ . 1 . 2]" 1
974 1 55 ILE HA 1 55 ILE MG 2.800 . 3.800 2.502 2.468 2.535 . 0 0 "[ . 1 . 2]" 1
975 1 74 LYS HA 1 74 LYS HG2 2.800 . 3.800 2.803 2.057 3.809 0.009 9 0 "[ . 1 . 2]" 1
976 1 63 GLU HA 1 63 GLU HG3 3.000 . 4.100 3.360 3.000 3.736 . 0 0 "[ . 1 . 2]" 1
977 1 32 LEU QB 1 33 LEU QB 3.100 . 4.300 3.821 3.557 4.079 . 0 0 "[ . 1 . 2]" 1
978 1 59 HIS HA 1 59 HIS HB2 2.700 . 3.600 2.544 2.455 2.621 . 0 0 "[ . 1 . 2]" 1
979 1 88 ILE MG 1 90 ASP HA 2.900 . 3.900 3.654 3.155 3.967 0.067 17 0 "[ . 1 . 2]" 1
980 1 62 LEU HA 1 68 ILE MD 2.800 . 3.700 2.276 2.102 2.691 . 0 0 "[ . 1 . 2]" 1
981 1 14 ILE MD 1 85 PHE QE 3.000 . 4.100 3.485 2.711 4.131 0.031 2 0 "[ . 1 . 2]" 1
982 1 22 ALA H 1 22 ALA HA 2.900 . 3.900 2.888 2.832 2.931 . 0 0 "[ . 1 . 2]" 1
983 1 31 LEU HB3 1 32 LEU QB 3.000 . 4.100 4.028 3.790 5.074 0.974 16 1 "[ . 1 .+ 2]" 1
984 1 12 VAL HB 1 85 PHE HA 2.800 . 3.800 2.971 2.117 4.040 0.240 18 0 "[ . 1 . 2]" 1
985 1 54 VAL MG2 1 85 PHE HB2 3.000 . 4.100 3.533 2.877 3.859 . 0 0 "[ . 1 . 2]" 1
986 1 65 ASN HA 1 65 ASN HB2 2.900 . 3.900 2.530 2.382 2.600 . 0 0 "[ . 1 . 2]" 1
987 1 58 ALA HA 1 71 VAL QG 2.900 . 4.000 2.964 2.650 3.442 . 0 0 "[ . 1 . 2]" 1
988 1 40 ASN HA 1 43 PRO HG3 2.700 . 3.600 2.938 2.243 3.549 . 0 0 "[ . 1 . 2]" 1
989 1 62 LEU QB 1 68 ILE QG 3.400 . 4.900 4.109 3.741 4.365 . 0 0 "[ . 1 . 2]" 1
990 1 85 PHE H 1 85 PHE HB2 2.700 . 3.600 2.499 2.373 2.665 . 0 0 "[ . 1 . 2]" 1
991 1 54 VAL HB 1 55 ILE H 2.700 . 3.600 3.214 2.505 3.682 0.082 15 0 "[ . 1 . 2]" 1
992 1 32 LEU QB 1 32 LEU QD 2.800 . 3.800 1.909 1.864 2.037 0.136 19 0 "[ . 1 . 2]" 1
993 1 68 ILE HB 1 68 ILE QG 3.000 . 4.100 2.394 2.337 2.450 . 0 0 "[ . 1 . 2]" 1
994 1 36 MET ME 1 36 MET HG3 2.900 . 4.000 2.632 2.332 3.434 . 0 0 "[ . 1 . 2]" 1
995 1 89 PHE QB 1 90 ASP HA 3.100 . 6.000 4.504 4.335 4.644 . 0 0 "[ . 1 . 2]" 1
996 1 21 ILE MD 1 89 PHE QE 3.500 . 5.000 3.719 3.478 4.055 . 0 0 "[ . 1 . 2]" 1
997 1 75 PRO HA 1 77 ALA MB 2.500 . 6.000 5.361 4.803 6.057 0.057 5 0 "[ . 1 . 2]" 1
998 1 22 ALA HA 1 62 LEU QD 3.100 . 4.300 2.659 2.227 3.248 . 0 0 "[ . 1 . 2]" 1
999 1 66 PRO HB3 1 66 PRO QD 3.500 . 4.300 2.898 2.841 3.099 . 0 0 "[ . 1 . 2]" 1
1000 1 89 PHE HA 1 89 PHE QE 3.600 . 5.200 4.293 4.188 4.373 . 0 0 "[ . 1 . 2]" 1
1001 1 36 MET HG3 1 55 ILE MD 2.900 . 4.000 2.516 1.889 4.092 0.092 20 0 "[ . 1 . 2]" 1
1002 1 14 ILE MD 1 85 PHE HB2 3.600 . 5.200 4.099 3.332 4.695 . 0 0 "[ . 1 . 2]" 1
1003 1 44 GLU QG 1 45 GLU HA 3.300 . 4.600 3.701 3.210 4.183 . 0 0 "[ . 1 . 2]" 1
1004 1 88 ILE H 1 88 ILE QG 3.000 . 4.200 2.809 2.474 3.443 . 0 0 "[ . 1 . 2]" 1
1005 1 54 VAL QG 1 85 PHE HB3 3.100 . 4.300 3.252 2.722 3.718 . 0 0 "[ . 1 . 2]" 1
1006 1 14 ILE HB 1 87 VAL MG2 3.000 . 4.100 2.371 1.926 2.805 . 0 0 "[ . 1 . 2]" 1
1007 1 31 LEU HA 1 31 LEU HB2 2.900 . 4.000 2.714 2.463 2.953 . 0 0 "[ . 1 . 2]" 1
1008 1 14 ILE MD 1 36 MET HA 3.100 . 4.300 4.284 3.639 4.424 0.124 16 0 "[ . 1 . 2]" 1
1009 1 34 ASN HB3 1 35 GLN H 3.400 . 4.800 3.731 3.378 4.088 . 0 0 "[ . 1 . 2]" 1
1010 1 36 MET ME 1 52 ALA H 3.500 . 5.100 4.912 4.604 5.183 0.083 17 0 "[ . 1 . 2]" 1
1011 1 43 PRO HB3 1 43 PRO HD2 3.500 . 5.000 3.899 3.837 3.947 . 0 0 "[ . 1 . 2]" 1
1012 1 14 ILE MD 1 16 PHE QE 3.300 . 6.000 3.568 2.724 3.916 . 0 0 "[ . 1 . 2]" 1
1013 1 73 LEU HB3 1 73 LEU HG 2.900 . 4.000 2.841 2.375 3.021 . 0 0 "[ . 1 . 2]" 1
1014 1 48 MET HB3 1 49 PRO QD 2.800 . 3.700 2.046 1.863 2.368 0.037 2 0 "[ . 1 . 2]" 1
1015 1 83 VAL QG 1 85 PHE HB2 3.300 . 6.000 5.225 4.710 5.730 . 0 0 "[ . 1 . 2]" 1
1016 1 16 PHE QE 1 32 LEU QD 3.100 . 4.300 3.008 2.518 3.306 . 0 0 "[ . 1 . 2]" 1
1017 1 16 PHE QE 1 55 ILE MG 3.200 . 4.500 3.763 2.381 4.296 . 0 0 "[ . 1 . 2]" 1
1018 1 83 VAL QG 1 85 PHE QD 3.200 . 6.000 3.608 2.726 4.218 . 0 0 "[ . 1 . 2]" 1
1019 1 43 PRO HG3 1 50 LEU QB 3.200 . 4.500 3.487 2.782 4.423 . 0 0 "[ . 1 . 2]" 1
1020 1 16 PHE HA 1 35 GLN HB3 3.300 . 6.000 5.390 4.382 6.134 0.134 8 0 "[ . 1 . 2]" 1
1021 1 72 TYR HA 1 86 HIS HA 3.000 . 4.100 2.768 2.232 3.151 . 0 0 "[ . 1 . 2]" 1
1022 1 15 HIS HB3 1 90 ASP HA 3.200 . 6.000 5.407 4.388 6.016 0.016 6 0 "[ . 1 . 2]" 1
1023 1 83 VAL QG 1 84 GLN HA 3.200 . 4.500 3.364 3.103 4.155 . 0 0 "[ . 1 . 2]" 1
1024 1 26 TYR QB 1 55 ILE MG 3.500 . 4.700 3.504 2.749 4.215 . 0 0 "[ . 1 . 2]" 1
1025 1 32 LEU QB 1 32 LEU HG 2.900 . 4.000 2.400 2.141 2.496 . 0 0 "[ . 1 . 2]" 1
1026 1 18 LEU HA 1 89 PHE QB 4.100 . 6.000 3.024 2.678 3.561 . 0 0 "[ . 1 . 2]" 1
1027 1 14 ILE MD 1 36 MET HG2 3.300 . 4.600 4.126 3.416 4.769 0.169 4 0 "[ . 1 . 2]" 1
1028 1 55 ILE H 1 55 ILE MD 3.800 . 5.600 3.602 3.467 3.678 . 0 0 "[ . 1 . 2]" 1
1029 1 31 LEU QD 1 35 GLN QG 3.200 . 4.400 3.457 2.518 4.065 . 0 0 "[ . 1 . 2]" 1
1030 1 30 GLU HB3 1 31 LEU QD 3.400 . 6.000 4.495 2.752 4.941 . 0 0 "[ . 1 . 2]" 1
1031 1 40 ASN HD21 1 43 PRO HG3 3.000 . 4.200 3.674 2.891 4.259 0.059 12 0 "[ . 1 . 2]" 1
1032 1 60 GLU HA 1 60 GLU HG2 3.500 . 5.100 2.985 2.466 3.722 . 0 0 "[ . 1 . 2]" 1
1033 1 36 MET ME 1 55 ILE HB 3.700 . 6.000 5.463 4.507 5.994 . 0 0 "[ . 1 . 2]" 1
1034 1 84 GLN QG 1 85 PHE H 3.700 . 5.400 3.988 3.514 4.677 . 0 0 "[ . 1 . 2]" 1
1035 1 67 LYS H 1 67 LYS HB3 3.600 . 5.200 3.789 3.673 3.879 . 0 0 "[ . 1 . 2]" 1
1036 1 70 GLU HA 1 88 ILE HA 3.000 . 4.100 2.494 2.260 2.693 . 0 0 "[ . 1 . 2]" 1
1037 1 18 LEU H 1 18 LEU HG 3.800 . 5.600 4.139 1.900 4.537 0.100 10 0 "[ . 1 . 2]" 1
1038 1 36 MET ME 1 85 PHE HZ 3.500 . 6.000 5.391 4.581 6.011 0.011 11 0 "[ . 1 . 2]" 1
1039 1 16 PHE QE 1 21 ILE MD 3.200 . 4.500 3.480 2.304 3.994 . 0 0 "[ . 1 . 2]" 1
1040 1 66 PRO QD 1 67 LYS H 3.200 . 4.500 3.563 2.804 3.971 . 0 0 "[ . 1 . 2]" 1
1041 1 80 ASN HB3 1 83 VAL HB 3.200 . 4.400 3.616 2.594 4.760 0.360 9 0 "[ . 1 . 2]" 1
1042 1 63 GLU HA 1 64 LYS H 3.200 . 4.500 3.483 3.452 3.527 . 0 0 "[ . 1 . 2]" 1
1043 1 21 ILE MG 1 22 ALA HA 3.300 . 4.700 3.470 3.273 3.599 . 0 0 "[ . 1 . 2]" 1
1044 1 36 MET HA 1 36 MET ME 3.200 . 4.500 2.840 2.105 3.863 . 0 0 "[ . 1 . 2]" 1
1045 1 45 GLU HA 1 46 GLU QG 3.400 . 4.800 3.937 3.658 4.409 . 0 0 "[ . 1 . 2]" 1
1046 1 16 PHE HB2 1 89 PHE QE 3.100 . 4.300 2.789 2.392 3.102 . 0 0 "[ . 1 . 2]" 1
1047 1 62 LEU QD 1 68 ILE QG 2.800 . 3.800 2.437 2.038 3.505 . 0 0 "[ . 1 . 2]" 1
1048 1 73 LEU HB3 1 85 PHE HB2 3.000 . 4.200 2.907 2.416 4.365 0.165 17 0 "[ . 1 . 2]" 1
1049 1 62 LEU HA 1 66 PRO HA 3.100 . 4.300 3.553 2.611 3.985 . 0 0 "[ . 1 . 2]" 1
1050 1 62 LEU HA 1 65 ASN H 3.200 . 4.500 3.635 3.310 3.956 . 0 0 "[ . 1 . 2]" 1
1051 1 59 HIS HB3 1 60 GLU H 2.900 . 4.000 2.323 2.160 2.502 . 0 0 "[ . 1 . 2]" 1
1052 1 33 LEU H 1 33 LEU HG 3.900 . 5.800 4.223 2.572 4.548 . 0 0 "[ . 1 . 2]" 1
1053 1 55 ILE MG 1 56 LYS HA 3.300 . 4.600 3.282 3.142 3.431 . 0 0 "[ . 1 . 2]" 1
1054 1 16 PHE HB3 1 21 ILE HB 2.900 . 3.900 2.092 1.877 2.530 0.023 19 0 "[ . 1 . 2]" 1
1055 1 71 VAL HB 1 72 TYR H 3.200 . 4.500 3.096 2.384 4.087 . 0 0 "[ . 1 . 2]" 1
1056 1 14 ILE MG 1 36 MET ME 3.500 . 5.000 3.178 1.958 3.616 0.042 17 0 "[ . 1 . 2]" 1
1057 1 16 PHE HB2 1 21 ILE MG 3.500 . 5.000 3.244 2.791 3.492 . 0 0 "[ . 1 . 2]" 1
1058 1 21 ILE MD 1 59 HIS HA 3.500 . 5.000 2.999 2.162 3.403 . 0 0 "[ . 1 . 2]" 1
1059 1 54 VAL MG2 1 55 ILE H 3.900 . 5.800 4.020 3.939 4.172 . 0 0 "[ . 1 . 2]" 1
1060 1 22 ALA HA 1 59 HIS HA 3.500 . 5.000 4.311 3.953 4.678 . 0 0 "[ . 1 . 2]" 1
1061 1 16 PHE HZ 1 55 ILE MG 3.800 . 5.600 4.162 3.889 4.598 . 0 0 "[ . 1 . 2]" 1
1062 1 27 ALA HA 1 28 GLU H 3.400 . 4.900 3.306 2.437 3.445 . 0 0 "[ . 1 . 2]" 1
1063 1 48 MET QG 1 49 PRO QD 3.600 . 5.200 3.543 2.923 3.934 . 0 0 "[ . 1 . 2]" 1
1064 1 73 LEU HB3 1 85 PHE HB3 3.700 . 5.400 4.096 3.044 5.345 . 0 0 "[ . 1 . 2]" 1
1065 1 36 MET ME 1 54 VAL H 4.000 . 6.000 4.538 4.077 5.118 . 0 0 "[ . 1 . 2]" 1
1066 1 45 GLU HA 1 45 GLU QB 3.400 . 4.800 2.395 2.293 2.534 . 0 0 "[ . 1 . 2]" 1
1067 1 14 ILE HA 1 35 GLN QG 3.900 . 5.800 4.674 3.255 5.669 . 0 0 "[ . 1 . 2]" 1
1068 1 55 ILE HA 1 55 ILE HG13 3.300 . 4.700 2.888 2.784 2.950 . 0 0 "[ . 1 . 2]" 1
1069 1 23 ALA MB 1 26 TYR H 3.400 . 4.800 4.021 3.181 4.788 . 0 0 "[ . 1 . 2]" 1
1070 1 12 VAL QG 1 85 PHE HZ 3.600 . 5.200 3.772 3.015 4.316 . 0 0 "[ . 1 . 2]" 1
1071 1 39 VAL QG 1 85 PHE QD 2.800 . 6.000 4.147 2.858 5.436 . 0 0 "[ . 1 . 2]" 1
1072 1 45 GLU QB 1 45 GLU QG 3.200 . 4.500 2.022 1.949 2.080 0.051 14 0 "[ . 1 . 2]" 1
1073 1 62 LEU QB 1 68 ILE MD 3.300 . 4.600 3.154 2.715 3.332 . 0 0 "[ . 1 . 2]" 1
1074 1 16 PHE HB3 1 17 PRO QD 3.600 . 5.200 3.221 2.200 3.764 . 0 0 "[ . 1 . 2]" 1
1075 1 49 PRO QD 1 50 LEU HG 4.300 . 6.000 4.779 4.239 5.847 . 0 0 "[ . 1 . 2]" 1
1076 1 70 GLU QB 1 71 VAL H 3.200 . 4.500 2.687 2.286 3.522 . 0 0 "[ . 1 . 2]" 1
1077 1 70 GLU HA 1 88 ILE MD 2.800 . 6.000 5.490 4.748 5.795 . 0 0 "[ . 1 . 2]" 1
1078 1 48 MET ME 1 53 TRP H 4.000 . 6.000 5.888 5.606 6.015 0.015 9 0 "[ . 1 . 2]" 1
1079 1 50 LEU HA 1 50 LEU QD 3.500 . 5.100 2.269 1.817 3.230 0.083 15 0 "[ . 1 . 2]" 1
1080 1 14 ILE H 1 14 ILE MG 3.800 . 5.600 3.856 3.828 3.884 . 0 0 "[ . 1 . 2]" 1
1081 1 14 ILE MD 1 51 ARG QB 3.700 . 5.400 4.970 4.175 5.314 . 0 0 "[ . 1 . 2]" 1
1082 1 33 LEU HA 1 36 MET HB3 3.700 . 5.400 4.474 3.206 5.181 . 0 0 "[ . 1 . 2]" 1
1083 1 13 GLU HB3 1 88 ILE QG 3.300 . 6.000 4.563 3.397 5.453 . 0 0 "[ . 1 . 2]" 1
1084 1 50 LEU HA 1 53 TRP QB 4.000 . 6.000 3.916 1.727 4.365 0.273 4 0 "[ . 1 . 2]" 1
1085 1 59 HIS HD2 1 63 GLU HG3 3.300 . 4.600 2.420 2.045 3.517 . 0 0 "[ . 1 . 2]" 1
1086 1 27 ALA HA 1 55 ILE MG 2.900 . 6.000 4.812 3.840 5.789 . 0 0 "[ . 1 . 2]" 1
1087 1 21 ILE MD 1 55 ILE HA 3.300 . 4.700 3.129 2.902 3.420 . 0 0 "[ . 1 . 2]" 1
1088 1 36 MET ME 1 55 ILE H 3.900 . 5.800 4.242 3.263 4.737 . 0 0 "[ . 1 . 2]" 1
1089 1 53 TRP HH2 1 54 VAL MG2 3.400 . 4.900 3.141 2.769 3.500 . 0 0 "[ . 1 . 2]" 1
1090 1 32 LEU HG 1 55 ILE MD 3.400 . 4.800 2.998 2.399 3.349 . 0 0 "[ . 1 . 2]" 1
1091 1 22 ALA H 1 23 ALA MB 2.900 . 6.000 3.972 3.766 4.171 . 0 0 "[ . 1 . 2]" 1
1092 1 78 VAL HB 1 79 LYS H 3.500 . 5.100 3.416 2.717 4.157 . 0 0 "[ . 1 . 2]" 1
1093 1 40 ASN HA 1 41 ASP H 3.400 . 4.900 3.440 3.192 3.544 . 0 0 "[ . 1 . 2]" 1
1094 1 17 PRO QD 1 35 GLN QE 3.100 . 4.300 2.292 2.033 3.547 . 0 0 "[ . 1 . 2]" 1
1095 1 32 LEU HG 1 55 ILE HB 4.000 . 6.000 6.004 5.697 6.116 0.116 10 0 "[ . 1 . 2]" 1
1096 1 81 SER H 1 81 SER HB3 3.800 . 5.600 3.831 3.089 4.099 . 0 0 "[ . 1 . 2]" 1
1097 1 14 ILE MG 1 36 MET HA 3.400 . 4.900 3.485 2.257 4.229 . 0 0 "[ . 1 . 2]" 1
1098 1 32 LEU HA 1 35 GLN HB3 4.100 . 6.000 4.202 3.088 5.017 . 0 0 "[ . 1 . 2]" 1
1099 1 50 LEU HA 1 50 LEU QB 3.500 . 5.000 2.363 2.127 2.521 . 0 0 "[ . 1 . 2]" 1
1100 1 36 MET H 1 36 MET HG2 3.500 . 5.000 3.368 2.518 4.740 . 0 0 "[ . 1 . 2]" 1
1101 1 16 PHE QE 1 55 ILE MD 2.900 . 4.000 3.409 2.931 4.079 0.079 1 0 "[ . 1 . 2]" 1
1102 1 15 HIS HD2 1 70 GLU QB 4.100 . 6.000 5.674 5.549 5.906 . 0 0 "[ . 1 . 2]" 1
1103 1 55 ILE HA 1 58 ALA H 3.500 . 5.000 3.668 3.487 3.798 . 0 0 "[ . 1 . 2]" 1
1104 1 36 MET HA 1 39 VAL QG 2.900 . 4.000 2.938 2.354 3.674 . 0 0 "[ . 1 . 2]" 1
1105 1 21 ILE MD 1 55 ILE HG13 4.000 . 6.000 4.913 4.642 5.259 . 0 0 "[ . 1 . 2]" 1
1106 1 55 ILE MD 1 56 LYS H 2.900 . 6.000 4.670 4.560 4.746 . 0 0 "[ . 1 . 2]" 1
1107 1 76 ARG HA 1 76 ARG QD 4.100 . 6.000 4.154 3.366 4.332 . 0 0 "[ . 1 . 2]" 1
1108 1 21 ILE HG13 1 62 LEU QD 3.600 . 5.200 3.424 2.633 4.241 . 0 0 "[ . 1 . 2]" 1
1109 1 17 PRO HB3 1 17 PRO QD 3.900 . 5.800 3.368 2.803 3.538 . 0 0 "[ . 1 . 2]" 1
1110 1 26 TYR HA 1 27 ALA H 3.500 . 5.000 3.473 3.355 3.535 . 0 0 "[ . 1 . 2]" 1
1111 1 27 ALA MB 1 29 ASP H 4.000 . 6.000 4.446 4.235 5.024 . 0 0 "[ . 1 . 2]" 1
1112 1 16 PHE HA 1 32 LEU QD 3.500 . 5.000 2.773 2.331 3.898 . 0 0 "[ . 1 . 2]" 1
1113 1 59 HIS HA 1 62 LEU H 3.500 . 5.000 3.742 3.615 3.887 . 0 0 "[ . 1 . 2]" 1
1114 1 42 THR HB 1 44 GLU H 3.600 . 5.200 4.352 3.516 5.219 0.019 17 0 "[ . 1 . 2]" 1
1115 1 30 GLU HB3 1 31 LEU H 3.400 . 4.800 2.800 2.537 3.006 . 0 0 "[ . 1 . 2]" 1
1116 1 14 ILE HB 1 73 LEU QD 3.800 . 5.600 5.336 4.579 5.575 . 0 0 "[ . 1 . 2]" 1
1117 1 31 LEU HB3 1 32 LEU H 3.200 . 4.500 2.859 2.522 3.955 . 0 0 "[ . 1 . 2]" 1
1118 1 75 PRO QG 1 84 GLN HA 4.000 . 6.000 3.984 2.846 4.683 . 0 0 "[ . 1 . 2]" 1
1119 1 26 TYR QB 1 32 LEU HG 3.300 . 4.600 4.545 4.463 4.651 0.051 16 0 "[ . 1 . 2]" 1
1120 1 18 LEU QD 1 90 ASP HA 3.800 . 5.600 4.911 3.420 5.426 . 0 0 "[ . 1 . 2]" 1
1121 1 18 LEU QB 1 89 PHE QB 4.000 . 4.500 2.764 2.379 3.162 . 0 0 "[ . 1 . 2]" 1
1122 1 43 PRO HA 1 43 PRO HG2 4.000 . 6.000 3.907 3.798 4.004 . 0 0 "[ . 1 . 2]" 1
1123 1 14 ILE MG 1 87 VAL HB 4.100 . 6.000 5.651 4.110 6.074 0.074 3 0 "[ . 1 . 2]" 1
1124 1 48 MET HA 1 48 MET QG 3.800 . 5.600 2.712 2.342 3.163 . 0 0 "[ . 1 . 2]" 1
1125 1 63 GLU H 1 63 GLU HG3 3.600 . 5.200 3.039 2.184 4.621 . 0 0 "[ . 1 . 2]" 1
1126 1 43 PRO HD2 1 50 LEU QD 3.000 . 6.000 4.322 3.505 5.208 . 0 0 "[ . 1 . 2]" 1
1127 1 74 LYS HB2 1 84 GLN HA 3.700 . 5.400 4.565 3.753 5.312 . 0 0 "[ . 1 . 2]" 1
1128 1 74 LYS HA 1 74 LYS QE 3.900 . 5.800 3.869 2.037 4.790 . 0 0 "[ . 1 . 2]" 1
1129 1 31 LEU QD 1 32 LEU QD 3.700 . 5.400 4.181 2.535 4.934 . 0 0 "[ . 1 . 2]" 1
1130 1 20 ARG HG3 1 26 TYR QB 3.800 . 6.000 5.619 4.480 6.456 0.456 13 0 "[ . 1 . 2]" 1
1131 1 82 SER HB3 1 83 VAL QG 4.100 . 6.000 5.210 4.486 5.692 . 0 0 "[ . 1 . 2]" 1
1132 1 12 VAL QG 1 85 PHE HA 3.900 . 5.800 3.331 1.891 3.817 0.109 8 0 "[ . 1 . 2]" 1
1133 1 66 PRO HA 1 66 PRO QD 3.700 . 5.400 3.463 3.407 3.543 . 0 0 "[ . 1 . 2]" 1
1134 1 23 ALA H 1 26 TYR QB 3.400 . 4.900 3.782 3.088 4.436 . 0 0 "[ . 1 . 2]" 1
1135 1 65 ASN HB3 1 66 PRO QD 4.400 . 6.000 4.212 4.096 4.419 . 0 0 "[ . 1 . 2]" 1
1136 1 44 GLU QG 1 83 VAL QG 3.700 . 5.400 3.031 1.950 4.142 0.050 9 0 "[ . 1 . 2]" 1
1137 1 59 HIS HA 1 62 LEU QD 3.900 . 5.800 3.921 3.557 4.414 . 0 0 "[ . 1 . 2]" 1
1138 1 36 MET H 1 36 MET HG3 4.100 . 6.000 4.108 3.319 4.560 . 0 0 "[ . 1 . 2]" 1
1139 1 14 ILE H 1 14 ILE MD 4.300 . 6.000 3.890 3.702 4.248 . 0 0 "[ . 1 . 2]" 1
1140 1 39 VAL HB 1 41 ASP H 4.400 . 6.000 5.977 5.685 6.221 0.221 20 0 "[ . 1 . 2]" 1
1141 1 36 MET HG2 1 55 ILE MD 3.700 . 5.500 2.894 2.122 3.778 . 0 0 "[ . 1 . 2]" 1
1142 1 21 ILE HA 1 21 ILE HG12 4.100 . 6.000 3.707 3.660 3.791 . 0 0 "[ . 1 . 2]" 1
1143 1 71 VAL QG 1 89 PHE HZ 3.700 . 5.400 2.967 2.693 3.430 . 0 0 "[ . 1 . 2]" 1
1144 1 14 ILE MD 1 15 HIS H 4.800 . 6.000 5.050 4.681 5.364 . 0 0 "[ . 1 . 2]" 1
1145 1 16 PHE HB2 1 21 ILE HB 4.300 . 6.000 3.587 3.120 4.244 . 0 0 "[ . 1 . 2]" 1
1146 1 23 ALA MB 1 26 TYR QB 3.400 . 4.900 3.498 2.503 4.343 . 0 0 "[ . 1 . 2]" 1
1147 1 68 ILE HA 1 68 ILE MD 4.600 . 6.000 4.131 3.631 4.187 . 0 0 "[ . 1 . 2]" 1
1148 1 54 VAL MG1 1 58 ALA H 3.900 . 5.800 4.355 3.835 4.766 . 0 0 "[ . 1 . 2]" 1
1149 1 62 LEU H 1 71 VAL QG 3.900 . 5.800 4.518 4.145 5.008 . 0 0 "[ . 1 . 2]" 1
1150 1 70 GLU QB 1 71 VAL QG 4.100 . 6.000 4.063 3.842 4.311 . 0 0 "[ . 1 . 2]" 1
1151 1 27 ALA MB 1 28 GLU HA 3.800 . 5.600 4.059 3.953 4.362 . 0 0 "[ . 1 . 2]" 1
1152 1 20 ARG H 1 21 ILE HB 4.300 . 6.000 4.769 4.585 4.915 . 0 0 "[ . 1 . 2]" 1
1153 1 36 MET HA 1 40 ASN QB 3.500 . 5.000 3.253 2.107 4.529 . 0 0 "[ . 1 . 2]" 1
1154 1 14 ILE MG 1 36 MET HG2 3.500 . 5.000 3.210 2.017 3.879 . 0 0 "[ . 1 . 2]" 1
1155 1 13 GLU HA 1 88 ILE MD 3.100 . 6.000 3.979 3.107 4.759 . 0 0 "[ . 1 . 2]" 1
1156 1 74 LYS HD3 1 81 SER H 3.800 . 5.600 5.774 4.920 6.550 0.950 1 5 "[+ * - **1 . 2]" 1
1157 1 62 LEU HA 1 62 LEU HG 3.600 . 5.200 3.149 2.506 3.826 . 0 0 "[ . 1 . 2]" 1
1158 1 21 ILE MG 1 68 ILE MD 4.200 . 6.000 5.368 4.648 5.778 . 0 0 "[ . 1 . 2]" 1
1159 1 25 GLY QA 1 27 ALA H 4.300 . 6.000 3.312 2.982 3.642 . 0 0 "[ . 1 . 2]" 1
1160 1 48 MET ME 1 49 PRO QD 3.700 . 5.400 4.158 2.475 4.902 . 0 0 "[ . 1 . 2]" 1
1161 1 56 LYS HA 1 57 CYS H 3.700 . 5.400 3.561 3.551 3.577 . 0 0 "[ . 1 . 2]" 1
1162 1 70 GLU HA 1 71 VAL QG 3.800 . 5.600 3.398 3.139 3.744 . 0 0 "[ . 1 . 2]" 1
1163 1 40 ASN HA 1 40 ASN QB 3.400 . 4.800 2.389 2.294 2.529 . 0 0 "[ . 1 . 2]" 1
1164 1 51 ARG HA 1 54 VAL MG2 4.000 . 6.000 4.267 3.370 4.960 . 0 0 "[ . 1 . 2]" 1
1165 1 36 MET ME 1 36 MET HG2 3.700 . 5.400 3.064 2.530 3.424 . 0 0 "[ . 1 . 2]" 1
1166 1 26 TYR QD 1 27 ALA HA 3.600 . 5.200 3.291 2.671 4.781 . 0 0 "[ . 1 . 2]" 1
1167 1 43 PRO HB3 1 44 GLU H 4.100 . 6.000 4.478 3.679 4.635 . 0 0 "[ . 1 . 2]" 1
1168 1 31 LEU H 1 31 LEU QD 4.100 . 6.000 3.393 2.360 3.711 . 0 0 "[ . 1 . 2]" 1
1169 1 42 THR MG 1 44 GLU H 3.100 . 6.000 4.272 3.078 5.415 . 0 0 "[ . 1 . 2]" 1
1170 1 21 ILE MD 1 56 LYS HA 4.200 . 6.000 4.678 4.444 4.902 . 0 0 "[ . 1 . 2]" 1
1171 1 61 ALA HA 1 64 LYS H 3.700 . 5.400 3.779 3.479 3.980 . 0 0 "[ . 1 . 2]" 1
1172 1 14 ILE MD 1 73 LEU HB2 3.900 . 5.800 5.330 4.747 6.143 0.343 5 0 "[ . 1 . 2]" 1
1173 1 38 LYS HB3 1 40 ASN QB 3.800 . 5.600 5.529 5.071 6.166 0.566 14 1 "[ . 1 +. 2]" 1
1174 1 50 LEU QD 1 53 TRP QB 4.100 . 6.000 4.595 2.733 5.388 . 0 0 "[ . 1 . 2]" 1
1175 1 18 LEU QB 1 89 PHE HA 3.700 . 5.400 4.404 3.884 5.186 . 0 0 "[ . 1 . 2]" 1
1176 1 33 LEU MD1 1 35 GLN H 3.100 . 6.000 5.727 5.069 6.599 0.599 5 1 "[ + 1 . 2]" 1
1177 1 53 TRP HA 1 53 TRP QB 3.700 . 5.400 2.161 2.152 2.183 . 0 0 "[ . 1 . 2]" 1
1178 1 48 MET QG 1 52 ALA MB 3.200 . 4.500 3.973 3.562 4.352 . 0 0 "[ . 1 . 2]" 1
1179 1 83 VAL QG 1 85 PHE H 4.000 . 6.000 4.370 4.023 5.173 . 0 0 "[ . 1 . 2]" 1
1180 1 22 ALA HA 1 23 ALA H 3.700 . 5.400 3.282 2.989 3.488 . 0 0 "[ . 1 . 2]" 1
1181 1 52 ALA HA 1 56 LYS H 3.800 . 5.600 4.057 3.936 4.165 . 0 0 "[ . 1 . 2]" 1
1182 1 19 LYS QE 1 92 GLU QG 3.800 . 5.600 4.057 1.910 5.171 0.090 9 0 "[ . 1 . 2]" 1
1183 1 14 ILE MG 1 32 LEU HG 4.000 . 6.000 5.332 4.812 6.070 0.070 11 0 "[ . 1 . 2]" 1
1184 1 41 ASP QB 1 42 THR MG 3.600 . 5.200 3.567 2.692 4.761 . 0 0 "[ . 1 . 2]" 1
1185 1 14 ILE HB 1 87 VAL MG1 4.000 . 6.000 3.220 2.907 4.336 . 0 0 "[ . 1 . 2]" 1
1186 1 43 PRO HG2 1 44 GLU H 3.800 . 5.600 3.641 1.932 4.168 0.068 17 0 "[ . 1 . 2]" 1
1187 1 21 ILE MD 1 59 HIS HB3 4.800 . 6.000 4.032 3.682 4.381 . 0 0 "[ . 1 . 2]" 1
1188 1 87 VAL MG2 1 88 ILE HA 4.100 . 6.000 5.496 4.068 5.606 . 0 0 "[ . 1 . 2]" 1
1189 1 48 MET HA 1 49 PRO QG 4.400 . 6.000 5.199 5.027 5.370 . 0 0 "[ . 1 . 2]" 1
1190 1 54 VAL MG2 1 87 VAL MG2 4.000 . 6.000 2.955 1.938 3.977 0.062 4 0 "[ . 1 . 2]" 1
1191 1 54 VAL HA 1 55 ILE H 3.700 . 5.400 3.569 3.546 3.597 . 0 0 "[ . 1 . 2]" 1
1192 1 40 ASN QB 1 42 THR H 4.800 . 6.000 4.902 4.639 5.316 . 0 0 "[ . 1 . 2]" 1
1193 1 50 LEU QB 1 51 ARG H 3.300 . 4.700 2.627 2.228 3.484 . 0 0 "[ . 1 . 2]" 1
1194 1 71 VAL HA 1 72 TYR HB2 4.900 . 6.000 4.836 4.350 5.728 . 0 0 "[ . 1 . 2]" 1
1195 1 67 LYS H 1 67 LYS HD3 4.100 . 6.000 4.616 2.653 5.632 . 0 0 "[ . 1 . 2]" 1
1196 1 10 VAL HA 1 11 ASP HB3 4.300 . 6.000 5.047 4.536 5.741 . 0 0 "[ . 1 . 2]" 1
1197 1 53 TRP HH2 1 73 LEU QD 3.900 . 5.800 2.372 1.841 3.648 0.159 17 0 "[ . 1 . 2]" 1
1198 1 35 GLN HA 1 36 MET H 3.800 . 5.600 3.549 3.528 3.587 . 0 0 "[ . 1 . 2]" 1
1199 1 54 VAL MG1 1 85 PHE HB3 3.700 . 5.400 4.577 3.827 5.120 . 0 0 "[ . 1 . 2]" 1
1200 1 21 ILE MD 1 59 HIS HB2 3.400 . 4.900 2.585 2.244 2.922 . 0 0 "[ . 1 . 2]" 1
1201 1 88 ILE HA 1 88 ILE MD 4.200 . 6.000 3.668 3.116 3.848 . 0 0 "[ . 1 . 2]" 1
1202 1 54 VAL HA 1 58 ALA H 3.900 . 5.800 3.778 3.417 3.960 . 0 0 "[ . 1 . 2]" 1
1203 1 43 PRO HD2 1 44 GLU HA 4.400 . 6.000 4.397 3.972 4.982 . 0 0 "[ . 1 . 2]" 1
1204 1 56 LYS HA 1 59 HIS H 3.800 . 5.600 3.541 3.363 3.740 . 0 0 "[ . 1 . 2]" 1
1205 1 63 GLU HA 1 66 PRO HB3 3.500 . 5.000 2.733 2.624 3.376 . 0 0 "[ . 1 . 2]" 1
1206 1 72 TYR H 1 72 TYR HB3 3.500 . 5.100 3.656 3.216 3.773 . 0 0 "[ . 1 . 2]" 1
1207 1 31 LEU HA 1 31 LEU QD 3.800 . 5.600 2.086 1.841 3.426 0.159 18 0 "[ . 1 . 2]" 1
1208 1 48 MET HA 1 48 MET ME 3.900 . 5.800 4.050 3.711 4.545 . 0 0 "[ . 1 . 2]" 1
1209 1 74 LYS QE 1 83 VAL QG 3.800 . 5.600 3.184 2.550 3.790 . 0 0 "[ . 1 . 2]" 1
1210 1 69 ARG HB3 1 88 ILE MG 3.900 . 5.800 5.183 4.149 5.774 . 0 0 "[ . 1 . 2]" 1
1211 1 70 GLU QB 1 71 VAL HA 3.900 . 5.800 4.372 4.207 4.771 . 0 0 "[ . 1 . 2]" 1
1212 1 73 LEU QD 1 75 PRO QD 3.500 . 6.000 4.353 2.940 5.015 . 0 0 "[ . 1 . 2]" 1
1213 1 36 MET HB3 1 39 VAL QG 4.000 . 6.000 4.876 4.018 5.524 . 0 0 "[ . 1 . 2]" 1
1214 1 54 VAL MG2 1 57 CYS H 4.100 . 6.000 5.020 4.584 5.272 . 0 0 "[ . 1 . 2]" 1
1215 1 31 LEU QD 1 35 GLN QE 3.700 . 5.400 2.172 1.532 2.845 0.468 5 0 "[ . 1 . 2]" 1
1216 1 73 LEU HB3 1 87 VAL MG2 3.200 . 6.000 3.910 2.533 5.669 . 0 0 "[ . 1 . 2]" 1
1217 1 74 LYS HA 1 75 PRO QG 4.900 . 6.000 3.851 3.750 3.989 . 0 0 "[ . 1 . 2]" 1
1218 1 43 PRO HB2 1 47 GLY HA2 4.400 . 6.000 4.521 4.202 4.975 . 0 0 "[ . 1 . 2]" 1
1219 1 19 LYS QE 1 92 GLU HA 4.000 . 6.000 4.522 2.730 5.790 . 0 0 "[ . 1 . 2]" 1
1220 1 21 ILE H 1 21 ILE MD 4.600 . 6.000 4.144 4.069 4.238 . 0 0 "[ . 1 . 2]" 1
1221 1 62 LEU HA 1 66 PRO QD 4.300 . 6.000 5.243 4.733 5.417 . 0 0 "[ . 1 . 2]" 1
1222 1 39 VAL HA 1 40 ASN QB 4.400 . 6.000 4.400 4.074 4.625 . 0 0 "[ . 1 . 2]" 1
1223 1 23 ALA MB 1 25 GLY QA 4.300 . 6.000 4.029 3.704 4.831 . 0 0 "[ . 1 . 2]" 1
1224 1 26 TYR HA 1 29 ASP QB 4.200 . 6.000 3.043 2.177 3.831 . 0 0 "[ . 1 . 2]" 1
1225 1 31 LEU QD 1 35 GLN HA 3.900 . 5.800 5.092 4.285 5.903 0.103 16 0 "[ . 1 . 2]" 1
1226 1 18 LEU HA 1 89 PHE HA 4.000 . 6.000 4.295 3.972 4.731 . 0 0 "[ . 1 . 2]" 1
1227 1 72 TYR HB3 1 84 GLN HB3 4.200 . 6.000 4.839 3.354 6.597 0.597 6 1 "[ .+ 1 . 2]" 1
1228 1 70 GLU QB 1 89 PHE QB 4.800 . 6.000 4.266 4.161 4.360 . 0 0 "[ . 1 . 2]" 1
1229 1 43 PRO HB3 1 43 PRO HD3 4.000 . 6.000 3.307 3.088 3.503 . 0 0 "[ . 1 . 2]" 1
1230 1 17 PRO QD 1 20 ARG QB 4.000 . 5.400 3.668 2.668 4.608 . 0 0 "[ . 1 . 2]" 1
1231 1 74 LYS HA 1 83 VAL QG 4.100 . 6.000 4.334 3.805 4.904 . 0 0 "[ . 1 . 2]" 1
1232 1 90 ASP QB 1 92 GLU HB3 3.900 . 5.800 5.231 4.033 6.505 0.705 4 1 "[ +. 1 . 2]" 1
1233 1 45 GLU QB 1 46 GLU HB2 4.900 . 6.000 3.717 3.285 4.240 . 0 0 "[ . 1 . 2]" 1
1234 1 54 VAL MG1 1 55 ILE HA 3.900 . 5.800 2.990 2.845 3.087 . 0 0 "[ . 1 . 2]" 1
1235 1 66 PRO QD 1 67 LYS QE 4.700 . 5.500 3.369 2.313 4.000 . 0 0 "[ . 1 . 2]" 1
1236 1 51 ARG HA 1 54 VAL H 4.100 . 6.000 3.620 3.096 3.871 . 0 0 "[ . 1 . 2]" 1
1237 1 16 PHE HZ 1 55 ILE HB 4.600 . 6.000 4.799 4.503 5.095 . 0 0 "[ . 1 . 2]" 1
1238 1 71 VAL QG 1 72 TYR HA 4.000 . 6.000 3.723 3.329 4.011 . 0 0 "[ . 1 . 2]" 1
1239 1 40 ASN QB 1 51 ARG QB 3.500 . 5.100 3.608 3.126 4.202 . 0 0 "[ . 1 . 2]" 1
1240 1 21 ILE HA 1 23 ALA MB 4.200 . 6.000 4.589 4.355 4.876 . 0 0 "[ . 1 . 2]" 1
1241 1 49 PRO QG 1 52 ALA H 4.300 . 6.000 5.622 5.449 5.717 . 0 0 "[ . 1 . 2]" 1
1242 1 21 ILE HG13 1 59 HIS HB2 4.100 . 6.000 3.711 3.386 4.322 . 0 0 "[ . 1 . 2]" 1
1243 1 12 VAL H 1 84 GLN HB3 4.400 . 6.000 5.096 4.553 5.987 . 0 0 "[ . 1 . 2]" 1
1244 1 58 ALA MB 1 59 HIS HA 4.100 . 6.000 3.855 3.791 3.908 . 0 0 "[ . 1 . 2]" 1
1245 1 54 VAL HA 1 55 ILE HG13 4.300 . 6.000 5.456 5.315 5.549 . 0 0 "[ . 1 . 2]" 1
1246 1 20 ARG QD 1 31 LEU QD 4.100 . 6.000 4.003 2.916 5.539 . 0 0 "[ . 1 . 2]" 1
1247 1 74 LYS QE 1 75 PRO QD 4.700 . 6.000 2.895 1.972 3.746 0.028 13 0 "[ . 1 . 2]" 1
1248 1 55 ILE HA 1 55 ILE MD 4.900 . 6.000 3.789 3.750 3.818 . 0 0 "[ . 1 . 2]" 1
1249 1 32 LEU HA 1 35 GLN QG 4.200 . 6.000 4.399 2.513 5.141 . 0 0 "[ . 1 . 2]" 1
1250 1 36 MET HB3 1 40 ASN QB 3.600 . 5.200 3.873 2.837 4.749 . 0 0 "[ . 1 . 2]" 1
1251 1 26 TYR QB 1 27 ALA H 4.100 . 6.000 3.528 2.852 3.764 . 0 0 "[ . 1 . 2]" 1
1252 1 46 GLU H 1 50 LEU QD 4.100 . 6.000 2.299 1.656 3.468 0.344 11 0 "[ . 1 . 2]" 1
1253 1 30 GLU HA 1 32 LEU H 4.000 . 6.000 4.292 3.877 4.477 . 0 0 "[ . 1 . 2]" 1
1254 1 72 TYR HA 1 87 VAL MG1 4.400 . 6.000 5.994 4.470 6.465 0.465 11 0 "[ . 1 . 2]" 1
1255 1 16 PHE QD 1 55 ILE HA 4.500 . 6.000 4.343 3.916 4.760 . 0 0 "[ . 1 . 2]" 1
1256 1 70 GLU QB 1 88 ILE QG 3.800 . 5.600 2.313 2.217 2.463 . 0 0 "[ . 1 . 2]" 1
1257 1 40 ASN QB 1 50 LEU QD 4.000 . 6.000 4.676 3.496 5.521 . 0 0 "[ . 1 . 2]" 1
1258 1 39 VAL QG 1 40 ASN QB 3.400 . 4.800 3.626 3.071 4.302 . 0 0 "[ . 1 . 2]" 1
1259 1 76 ARG H 1 77 ALA MB 4.800 . 6.000 4.321 4.179 4.483 . 0 0 "[ . 1 . 2]" 1
1260 1 19 LYS H 1 19 LYS HD3 4.200 . 6.000 3.928 2.326 5.239 . 0 0 "[ . 1 . 2]" 1
1261 1 19 LYS HA 1 23 ALA MB 3.400 . 6.000 5.040 4.595 5.460 . 0 0 "[ . 1 . 2]" 1
1262 1 29 ASP QB 1 32 LEU QB 3.700 . 5.400 2.274 1.884 2.760 0.116 4 0 "[ . 1 . 2]" 1
1263 1 16 PHE HB2 1 87 VAL MG2 4.100 . 6.000 5.192 3.141 5.851 . 0 0 "[ . 1 . 2]" 1
1264 1 63 GLU HG3 1 64 LYS H 4.600 . 6.000 4.864 4.311 5.434 . 0 0 "[ . 1 . 2]" 1
1265 1 66 PRO HG3 1 67 LYS H 3.900 . 5.800 5.267 4.908 5.509 . 0 0 "[ . 1 . 2]" 1
1266 1 74 LYS HG2 1 84 GLN QG 3.800 . 5.600 4.324 1.983 6.572 0.972 2 3 "[ + . 1- . * 2]" 1
1267 1 36 MET HA 1 36 MET HG3 4.300 . 6.000 3.455 2.961 3.669 . 0 0 "[ . 1 . 2]" 1
1268 1 65 ASN HA 1 66 PRO HG2 5.300 . 6.000 4.440 4.268 4.793 . 0 0 "[ . 1 . 2]" 1
1269 1 21 ILE HG12 1 87 VAL MG2 4.200 . 6.000 6.001 4.504 6.475 0.475 12 0 "[ . 1 . 2]" 1
1270 1 10 VAL MG1 1 11 ASP HB3 4.600 . 6.000 5.214 4.720 6.754 0.754 12 2 "[ - . 1 + . 2]" 1
1271 1 45 GLU QG 1 46 GLU QG 4.300 . 6.000 3.315 1.944 4.711 0.056 8 0 "[ . 1 . 2]" 1
1272 1 21 ILE HA 1 21 ILE HG13 4.000 . 6.000 3.108 2.968 3.201 . 0 0 "[ . 1 . 2]" 1
1273 1 43 PRO HD3 1 50 LEU QD 4.600 . 6.000 4.406 3.612 5.221 . 0 0 "[ . 1 . 2]" 1
1274 1 17 PRO HA 1 17 PRO HG3 4.100 . 6.000 3.314 3.011 4.046 . 0 0 "[ . 1 . 2]" 1
1275 1 62 LEU QD 1 66 PRO HB3 4.100 . 6.000 3.099 1.962 3.970 0.038 6 0 "[ . 1 . 2]" 1
1276 1 77 ALA MB 1 80 ASN HB2 4.100 . 6.000 3.345 1.971 5.268 0.029 10 0 "[ . 1 . 2]" 1
1277 1 17 PRO HA 1 89 PHE HA 4.500 . 6.000 4.467 3.997 4.899 . 0 0 "[ . 1 . 2]" 1
1278 1 55 ILE HA 1 59 HIS HA 4.500 . 6.000 5.802 5.600 5.997 . 0 0 "[ . 1 . 2]" 1
1279 1 48 MET ME 1 52 ALA H 4.300 . 6.000 4.092 3.630 4.544 . 0 0 "[ . 1 . 2]" 1
1280 1 30 GLU HA 1 31 LEU H 4.100 . 6.000 3.492 3.446 3.528 . 0 0 "[ . 1 . 2]" 1
1281 1 91 GLU H 1 92 GLU HA 3.500 . 6.000 5.298 4.983 5.968 . 0 0 "[ . 1 . 2]" 1
1282 1 14 ILE MG 1 39 VAL QG 3.500 . 5.000 2.782 2.089 3.533 . 0 0 "[ . 1 . 2]" 1
1283 1 15 HIS HA 1 88 ILE MG 4.600 . 6.000 3.854 3.481 4.288 . 0 0 "[ . 1 . 2]" 1
1284 1 40 ASN HA 1 51 ARG QB 4.700 . 6.000 4.639 4.017 5.400 . 0 0 "[ . 1 . 2]" 1
1285 1 21 ILE HB 1 58 ALA MB 4.700 . 6.000 4.949 4.441 5.321 . 0 0 "[ . 1 . 2]" 1
1286 1 27 ALA MB 1 28 GLU HB2 3.500 . 5.000 4.670 3.973 5.392 0.392 6 0 "[ . 1 . 2]" 1
1287 1 26 TYR HA 1 26 TYR QD 4.500 . 6.000 3.646 1.973 3.754 . 0 0 "[ . 1 . 2]" 1
1288 1 43 PRO HG2 1 44 GLU HA 4.800 . 6.000 5.177 4.490 5.637 . 0 0 "[ . 1 . 2]" 1
1289 1 11 ASP HB3 1 12 VAL H 4.300 . 6.000 3.922 3.068 4.339 . 0 0 "[ . 1 . 2]" 1
1290 1 33 LEU QB 1 34 ASN HB3 4.300 . 6.000 4.544 3.691 5.483 . 0 0 "[ . 1 . 2]" 1
1291 1 9 ALA HA 1 10 VAL HB 5.200 . 6.000 4.736 4.529 5.655 . 0 0 "[ . 1 . 2]" 1
1292 1 74 LYS QE 1 78 VAL QG 4.400 . 6.000 3.658 1.919 4.357 . 0 0 "[ . 1 . 2]" 1
1293 1 43 PRO HA 1 50 LEU QD 5.000 . 6.000 4.269 3.751 4.869 . 0 0 "[ . 1 . 2]" 1
1294 1 30 GLU HG3 1 33 LEU HG 4.400 . 6.000 5.777 4.996 6.962 0.962 19 1 "[ . 1 . +2]" 1
1295 1 21 ILE MD 1 62 LEU QD 4.800 . 6.000 4.427 3.855 5.001 . 0 0 "[ . 1 . 2]" 1
1296 1 13 GLU HA 1 14 ILE HB 5.100 . 6.000 4.800 4.597 5.102 . 0 0 "[ . 1 . 2]" 1
1297 1 30 GLU HG3 1 33 LEU QB 4.500 . 6.000 3.931 2.780 5.360 . 0 0 "[ . 1 . 2]" 1
1298 1 62 LEU QD 1 63 GLU HA 4.300 . 6.000 3.185 2.390 3.996 . 0 0 "[ . 1 . 2]" 1
1299 1 45 GLU H 1 75 PRO QG 4.500 . 6.000 4.940 4.288 5.573 . 0 0 "[ . 1 . 2]" 1
1300 1 21 ILE HG12 1 89 PHE QE 4.000 . 6.000 2.081 1.952 2.426 0.048 5 0 "[ . 1 . 2]" 1
1301 1 26 TYR QE 1 55 ILE MD 3.600 . 5.200 3.651 2.609 4.507 . 0 0 "[ . 1 . 2]" 1
1302 1 43 PRO HA 1 43 PRO HD2 4.500 . 6.000 3.996 3.951 4.072 . 0 0 "[ . 1 . 2]" 1
1303 1 11 ASP HA 1 12 VAL HA 4.800 . 6.000 4.384 4.350 4.421 . 0 0 "[ . 1 . 2]" 1
1304 1 58 ALA HA 1 73 LEU QD 4.300 . 6.000 3.784 3.366 4.159 . 0 0 "[ . 1 . 2]" 1
1305 1 51 ARG HA 1 54 VAL HB 3.900 . 5.800 3.207 1.987 3.973 0.013 6 0 "[ . 1 . 2]" 1
1306 1 85 PHE HA 1 85 PHE QE 4.700 . 6.000 4.513 4.296 4.695 . 0 0 "[ . 1 . 2]" 1
1307 1 83 VAL QG 1 85 PHE HA 4.500 . 6.000 4.645 4.374 5.287 . 0 0 "[ . 1 . 2]" 1
1308 1 66 PRO QD 1 67 LYS HG3 3.600 . 5.200 3.736 2.353 5.005 . 0 0 "[ . 1 . 2]" 1
1309 1 43 PRO HG2 1 45 GLU QG 4.700 . 6.000 4.882 4.360 5.640 . 0 0 "[ . 1 . 2]" 1
1310 1 44 GLU HB3 1 85 PHE HZ 4.600 . 6.000 4.696 3.822 6.021 0.021 13 0 "[ . 1 . 2]" 1
1311 1 21 ILE HA 1 29 ASP QB 4.000 . 6.000 5.509 4.952 5.869 . 0 0 "[ . 1 . 2]" 1
1312 1 68 ILE MD 1 69 ARG H 4.900 . 6.000 3.586 2.653 4.357 . 0 0 "[ . 1 . 2]" 1
1313 1 75 PRO QG 1 85 PHE H 5.100 . 6.000 4.625 4.008 5.406 . 0 0 "[ . 1 . 2]" 1
1314 1 34 ASN HA 1 35 GLN HA 4.500 . 6.000 4.737 4.687 4.803 . 0 0 "[ . 1 . 2]" 1
1315 1 22 ALA HA 1 23 ALA HA 4.600 . 6.000 4.640 4.439 4.752 . 0 0 "[ . 1 . 2]" 1
1316 1 53 TRP QB 1 56 LYS HB3 3.700 . 6.000 4.501 3.881 6.416 0.416 4 0 "[ . 1 . 2]" 1
1317 1 74 LYS QE 1 78 VAL HA 4.500 . 6.000 3.295 2.296 4.700 . 0 0 "[ . 1 . 2]" 1
1318 1 40 ASN HA 1 50 LEU QD 4.500 . 6.000 3.672 2.528 4.475 . 0 0 "[ . 1 . 2]" 1
1319 1 21 ILE MD 1 26 TYR QB 4.400 . 6.000 3.089 2.380 3.667 . 0 0 "[ . 1 . 2]" 1
1320 1 18 LEU HA 1 19 LYS H 4.500 . 6.000 3.535 3.489 3.581 . 0 0 "[ . 1 . 2]" 1
1321 1 89 PHE HA 1 90 ASP QB 5.800 . 6.000 4.286 3.981 4.486 . 0 0 "[ . 1 . 2]" 1
1322 1 55 ILE MG 1 59 HIS HD2 4.600 . 6.000 6.021 5.782 6.111 0.111 17 0 "[ . 1 . 2]" 1
1323 1 74 LYS QE 1 81 SER HA 4.500 . 6.000 3.504 2.652 5.446 . 0 0 "[ . 1 . 2]" 1
1324 1 38 LYS HA 1 41 ASP QB 4.500 . 6.000 4.940 4.052 5.814 . 0 0 "[ . 1 . 2]" 1
1325 1 31 LEU HB2 1 32 LEU QD 5.100 . 6.000 5.162 4.417 5.758 . 0 0 "[ . 1 . 2]" 1
1326 1 21 ILE HA 1 23 ALA H 4.600 . 6.000 3.600 3.320 3.999 . 0 0 "[ . 1 . 2]" 1
1327 1 52 ALA MB 1 54 VAL H 5.300 . 6.000 4.486 4.379 4.774 . 0 0 "[ . 1 . 2]" 1
1328 1 27 ALA MB 1 28 GLU HB3 4.900 . 6.000 5.278 4.127 5.597 . 0 0 "[ . 1 . 2]" 1
1329 1 12 VAL QG 1 43 PRO HA 4.800 . 6.000 3.333 2.712 4.013 . 0 0 "[ . 1 . 2]" 1
1330 1 16 PHE HB2 1 32 LEU QD 5.100 . 6.000 4.085 3.678 5.065 . 0 0 "[ . 1 . 2]" 1
1331 1 74 LYS HA 1 74 LYS HD3 4.800 . 6.000 3.685 2.680 4.655 . 0 0 "[ . 1 . 2]" 1
1332 1 55 ILE H 1 56 LYS HB3 5.400 . 6.000 5.230 4.573 6.371 0.371 1 0 "[ . 1 . 2]" 1
1333 1 9 ALA HA 1 82 SER HB3 4.700 . 6.000 2.368 1.842 3.749 0.058 12 0 "[ . 1 . 2]" 1
1334 1 74 LYS QE 1 75 PRO QG 5.100 . 6.000 3.644 2.383 4.997 . 0 0 "[ . 1 . 2]" 1
1335 1 72 TYR HA 1 73 LEU HG 5.500 . 6.000 5.048 4.176 6.321 0.321 5 0 "[ . 1 . 2]" 1
1336 1 73 LEU QD 1 87 VAL MG2 4.800 . 6.000 2.261 1.875 4.254 0.025 9 0 "[ . 1 . 2]" 1
1337 1 74 LYS QE 1 75 PRO HA 4.500 . 6.000 5.513 4.119 5.897 . 0 0 "[ . 1 . 2]" 1
1338 1 12 VAL QG 1 14 ILE MG 5.800 . 6.000 4.400 4.030 4.921 . 0 0 "[ . 1 . 2]" 1
1339 1 17 PRO HB2 1 17 PRO QD 4.800 . 6.000 3.047 2.822 3.552 . 0 0 "[ . 1 . 2]" 1
1340 1 39 VAL QG 1 43 PRO HA 4.100 . 6.000 4.510 2.719 5.555 . 0 0 "[ . 1 . 2]" 1
1341 1 70 GLU HA 1 89 PHE QE 4.800 . 6.000 3.290 3.051 3.894 . 0 0 "[ . 1 . 2]" 1
1342 1 70 GLU HA 1 88 ILE MG 5.400 . 6.000 3.990 3.830 4.165 . 0 0 "[ . 1 . 2]" 1
1343 1 20 ARG QD 1 32 LEU QD 5.100 . 6.000 4.301 2.436 5.393 . 0 0 "[ . 1 . 2]" 1
1344 1 14 ILE HA 1 87 VAL HA 4.200 . 6.000 4.716 4.535 4.862 . 0 0 "[ . 1 . 2]" 1
1345 1 21 ILE HA 1 32 LEU QD 5.100 . 6.000 3.017 2.498 5.194 . 0 0 "[ . 1 . 2]" 1
1346 1 74 LYS QG 1 81 SER HA 5.400 . 6.000 5.346 4.405 6.031 0.031 12 0 "[ . 1 . 2]" 1
1347 1 21 ILE HG13 1 59 HIS HB3 6.000 . 6.000 4.948 4.710 5.338 . 0 0 "[ . 1 . 2]" 1
1348 1 18 LEU QD 1 91 GLU HG3 5.200 . 6.000 4.211 2.662 5.832 . 0 0 "[ . 1 . 2]" 1
1349 1 16 PHE HZ 1 21 ILE HG12 5.500 . 6.000 5.986 5.623 6.095 0.095 14 0 "[ . 1 . 2]" 1
1350 1 62 LEU HA 1 63 GLU H 5.400 . 6.000 3.566 3.541 3.598 . 0 0 "[ . 1 . 2]" 1
1351 1 56 LYS HA 1 59 HIS HA 6.000 . 6.000 5.300 5.100 5.511 . 0 0 "[ . 1 . 2]" 1
1352 1 19 LYS HA 1 22 ALA HA 6.000 . 6.000 5.917 5.387 6.091 0.091 16 0 "[ . 1 . 2]" 1
1353 1 53 TRP HZ3 1 73 LEU QD 5.300 . 6.000 2.118 1.694 4.566 0.006 11 0 "[ . 1 . 2]" 1
1354 1 40 ASN HA 1 43 PRO HB2 6.000 . 6.000 4.423 3.735 5.512 . 0 0 "[ . 1 . 2]" 1
1355 1 64 LYS HA 1 66 PRO HG3 6.000 . 6.000 5.727 4.727 6.049 0.049 6 0 "[ . 1 . 2]" 1
1356 1 16 PHE HZ 1 36 MET HG2 6.000 . 6.000 3.450 2.679 4.416 . 0 0 "[ . 1 . 2]" 1
1357 1 14 ILE MG 1 87 VAL HA 6.000 . 6.000 4.022 3.372 4.526 . 0 0 "[ . 1 . 2]" 1
1358 1 60 GLU HA 1 62 LEU H 6.000 . 6.000 4.439 4.133 4.600 . 0 0 "[ . 1 . 2]" 1
1359 1 65 ASN HB2 1 67 LYS HB2 6.000 . 6.000 4.523 3.741 6.294 0.294 12 0 "[ . 1 . 2]" 1
1360 1 33 LEU HA 1 36 MET HG2 6.000 . 6.000 5.302 4.565 6.291 0.291 19 0 "[ . 1 . 2]" 1
1361 1 14 ILE MD 1 85 PHE QD 2.900 . 3.900 2.528 1.949 3.391 . 0 0 "[ . 1 . 2]" 1
1362 1 16 PHE HZ 1 36 MET ME 3.100 . 4.300 3.754 2.972 4.302 0.002 14 0 "[ . 1 . 2]" 1
1363 1 15 HIS HE1 1 88 ILE MG 3.800 . 5.600 5.324 4.961 5.620 0.020 9 0 "[ . 1 . 2]" 1
1364 1 89 PHE QB 1 89 PHE QD 3.400 . 4.900 2.126 2.117 2.141 . 0 0 "[ . 1 . 2]" 1
1365 1 20 ARG QB 1 29 ASP H 3.800 . 5.600 5.110 4.318 5.483 . 0 0 "[ . 1 . 2]" 1
1366 1 15 HIS HD2 1 90 ASP HA 3.700 . 5.400 5.038 4.176 5.473 0.073 6 0 "[ . 1 . 2]" 1
1367 1 16 PHE QD 1 21 ILE MD 3.700 . 5.400 3.066 1.981 3.528 0.019 20 0 "[ . 1 . 2]" 1
1368 1 59 HIS HD2 1 60 GLU HG2 4.200 . 6.000 5.907 5.452 6.149 0.149 3 0 "[ . 1 . 2]" 1
1369 1 75 PRO QG 1 85 PHE HZ 6.000 . 6.000 3.820 2.717 4.364 . 0 0 "[ . 1 . 2]" 1
1370 1 12 VAL H 1 85 PHE HA 2.700 . 3.600 2.465 2.315 2.624 . 0 0 "[ . 1 . 2]" 1
1371 1 13 GLU H 1 14 ILE HA 3.500 . 5.000 4.740 4.676 4.861 . 0 0 "[ . 1 . 2]" 1
1372 1 22 ALA HA 1 59 HIS HE1 3.900 . 5.800 5.093 4.847 5.305 . 0 0 "[ . 1 . 2]" 1
1373 1 17 PRO QD 1 35 GLN QE 2.900 . 4.000 2.164 1.986 2.688 . 0 0 "[ . 1 . 2]" 1
1374 1 33 LEU HA 1 36 MET H 4.100 . 6.000 3.244 3.136 3.342 . 0 0 "[ . 1 . 2]" 1
1375 1 32 LEU HA 1 35 GLN QE 3.000 . 4.100 2.345 1.515 2.734 0.385 9 0 "[ . 1 . 2]" 1
1376 1 30 GLU HA 1 31 LEU H 3.400 . 4.800 3.142 3.120 3.165 . 0 0 "[ . 1 . 2]" 1
1377 1 16 PHE QD 1 32 LEU HA 2.900 . 3.900 3.433 2.548 4.818 0.918 17 1 "[ . 1 . + 2]" 1
1378 1 53 TRP H 1 53 TRP QB 2.400 . 3.100 2.247 1.841 2.339 . 0 0 "[ . 1 . 2]" 1
1379 1 40 ASN QB 1 40 ASN HD21 3.300 . 4.600 2.435 2.113 2.702 . 0 0 "[ . 1 . 2]" 1
1380 1 15 HIS HB2 1 15 HIS HD2 4.700 . 6.000 2.435 2.123 2.687 . 0 0 "[ . 1 . 2]" 1
1381 1 51 ARG QB 1 54 VAL H 3.900 . 5.800 4.670 4.307 5.021 . 0 0 "[ . 1 . 2]" 1
1382 1 48 MET H 1 48 MET HB2 2.600 . 3.500 2.103 1.919 2.364 . 0 0 "[ . 1 . 2]" 1
1383 1 27 ALA H 1 28 GLU HB2 3.800 . 5.600 4.115 3.662 5.314 . 0 0 "[ . 1 . 2]" 1
1384 1 13 GLU H 1 13 GLU HG3 2.600 . 3.500 2.524 1.826 3.290 . 0 0 "[ . 1 . 2]" 1
1385 1 24 GLU HB3 1 25 GLY H 3.500 . 5.000 2.911 2.236 3.251 . 0 0 "[ . 1 . 2]" 1
1386 1 10 VAL HB 1 11 ASP H 2.900 . 4.000 2.738 2.519 2.949 . 0 0 "[ . 1 . 2]" 1
1387 1 17 PRO HG2 1 35 GLN QE 4.900 . 6.000 3.221 2.880 3.722 . 0 0 "[ . 1 . 2]" 1
1388 1 30 GLU HB3 1 32 LEU H 3.300 . 4.700 4.629 4.400 4.855 0.155 17 0 "[ . 1 . 2]" 1
1389 1 47 GLY H 1 49 PRO QG 2.700 . 3.600 2.476 2.060 3.259 . 0 0 "[ . 1 . 2]" 1
1390 1 91 GLU HB2 1 92 GLU H 3.300 . 4.700 3.307 2.917 3.677 . 0 0 "[ . 1 . 2]" 1
1391 1 53 TRP HZ2 1 73 LEU HB3 4.500 . 6.000 4.345 2.715 5.060 . 0 0 "[ . 1 . 2]" 1
1392 1 72 TYR QD 1 73 LEU HB3 6.000 . 6.000 5.632 4.567 6.364 0.364 8 0 "[ . 1 . 2]" 1
1393 1 12 VAL HB 1 85 PHE QD 2.700 . 3.600 2.226 1.853 3.022 . 0 0 "[ . 1 . 2]" 1
1394 1 31 LEU HB3 1 35 GLN H 3.700 . 5.400 5.057 4.673 5.429 0.029 5 0 "[ . 1 . 2]" 1
1395 1 31 LEU HB3 1 35 GLN QE 6.000 . 6.000 2.826 1.964 3.819 . 0 0 "[ . 1 . 2]" 1
1396 1 18 LEU QB 1 89 PHE QD 4.400 . 6.000 2.893 1.964 3.727 0.036 1 0 "[ . 1 . 2]" 1
1397 1 16 PHE HZ 1 55 ILE HB 3.600 . 5.200 4.073 2.245 4.536 . 0 0 "[ . 1 . 2]" 1
1398 1 65 ASN QD 1 68 ILE QG 3.800 . 5.600 2.239 1.984 2.491 0.016 3 0 "[ . 1 . 2]" 1
1399 1 20 ARG QB 1 21 ILE H 3.400 . 4.900 2.578 1.829 3.276 0.071 12 0 "[ . 1 . 2]" 1
1400 1 20 ARG H 1 20 ARG QB 3.000 . 4.100 2.098 1.919 2.293 . 0 0 "[ . 1 . 2]" 1
1401 1 19 LYS H 1 19 LYS HD3 3.600 . 5.200 2.939 2.233 4.431 . 0 0 "[ . 1 . 2]" 1
1402 1 20 ARG QB 1 23 ALA H 4.400 . 6.000 4.171 3.356 4.658 . 0 0 "[ . 1 . 2]" 1
1403 1 23 ALA MB 1 25 GLY H 3.300 . 4.700 2.348 2.156 2.743 . 0 0 "[ . 1 . 2]" 1
1404 1 16 PHE QD 1 58 ALA MB 2.600 . 6.000 2.555 2.183 3.230 . 0 0 "[ . 1 . 2]" 1
1405 1 23 ALA MB 1 26 TYR H 3.000 . 4.100 3.674 3.104 4.060 . 0 0 "[ . 1 . 2]" 1
1406 1 33 LEU H 1 33 LEU HG 3.700 . 5.400 3.457 2.519 3.862 . 0 0 "[ . 1 . 2]" 1
1407 1 64 LYS H 1 68 ILE QG 3.600 . 6.000 5.784 5.559 5.908 . 0 0 "[ . 1 . 2]" 1
1408 1 18 LEU H 1 18 LEU HG 3.300 . 4.700 2.949 1.891 3.802 0.009 10 0 "[ . 1 . 2]" 1
1409 1 16 PHE QD 1 21 ILE HB 3.500 . 5.000 3.298 2.204 3.596 . 0 0 "[ . 1 . 2]" 1
1410 1 14 ILE HB 1 16 PHE HZ 3.700 . 5.400 4.200 3.842 4.747 . 0 0 "[ . 1 . 2]" 1
1411 1 14 ILE MD 1 16 PHE QE 4.800 . 6.000 2.143 1.531 2.770 0.369 5 0 "[ . 1 . 2]" 1
1412 1 31 LEU H 1 31 LEU QD 3.600 . 5.300 2.934 2.313 3.132 . 0 0 "[ . 1 . 2]" 1
1413 1 12 VAL QG 1 85 PHE QE 3.900 . 5.800 2.423 2.131 3.014 . 0 0 "[ . 1 . 2]" 1
1414 1 26 TYR QD 1 55 ILE MG 3.500 . 5.000 1.992 1.524 2.292 0.476 5 0 "[ . 1 . 2]" 1
1415 1 31 LEU QD 1 35 GLN QE 3.900 . 5.800 2.075 1.532 2.530 0.468 5 0 "[ . 1 . 2]" 1
1416 1 18 LEU QD 1 89 PHE QD 2.700 . 3.600 3.072 2.752 3.424 . 0 0 "[ . 1 . 2]" 1
1417 1 16 PHE H 1 88 ILE MG 3.700 . 5.500 3.395 3.184 3.510 . 0 0 "[ . 1 . 2]" 1
1418 1 16 PHE HZ 1 55 ILE MD 3.500 . 5.000 3.154 2.646 3.527 . 0 0 "[ . 1 . 2]" 1
1419 1 16 PHE QD 1 21 ILE MD 2.400 . 3.100 2.079 1.855 2.375 . 0 0 "[ . 1 . 2]" 1
1420 1 18 LEU H 1 18 LEU QD 3.100 . 4.300 3.023 1.566 3.344 0.334 20 0 "[ . 1 . 2]" 1
1421 1 21 ILE MD 1 56 LYS H 3.400 . 4.900 4.353 4.290 4.413 . 0 0 "[ . 1 . 2]" 1
1422 1 21 ILE MD 1 59 HIS HD2 3.900 . 5.800 2.353 1.839 3.474 0.161 17 0 "[ . 1 . 2]" 1
1423 1 54 VAL MG1 1 58 ALA H 4.200 . 6.000 3.321 3.074 3.598 . 0 0 "[ . 1 . 2]" 1
1424 1 45 GLU QG 1 47 GLY H 3.700 . 5.400 4.468 3.781 4.879 . 0 0 "[ . 1 . 2]" 1
1425 1 16 PHE QE 1 32 LEU QD 3.200 . 4.500 2.580 2.338 2.769 . 0 0 "[ . 1 . 2]" 1
1426 1 54 VAL MG2 1 85 PHE QD 3.400 . 4.900 2.936 1.997 3.474 . 0 0 "[ . 1 . 2]" 1
1427 1 54 VAL MG2 1 86 HIS H 5.300 . 6.000 5.434 5.094 5.852 . 0 0 "[ . 1 . 2]" 1
1428 1 17 PRO HB3 1 31 LEU QD 3.300 . 4.700 2.971 2.200 3.667 . 0 0 "[ . 1 . 2]" 1
1429 1 14 ILE MG 1 16 PHE H 3.700 . 5.400 3.758 3.506 3.988 . 0 0 "[ . 1 . 2]" 1
1430 1 16 PHE H 1 16 PHE QD 3.500 . 5.000 3.267 2.691 3.465 . 0 0 "[ . 1 . 2]" 1
1431 1 33 LEU H 1 36 MET H 3.400 . 4.900 4.139 3.833 4.437 . 0 0 "[ . 1 . 2]" 1
1432 1 23 ALA H 1 26 TYR H 3.600 . 6.000 4.547 3.953 4.957 . 0 0 "[ . 1 . 2]" 1
1433 1 54 VAL H 1 55 ILE H 3.000 . 4.100 2.413 2.352 2.503 . 0 0 "[ . 1 . 2]" 1
1434 1 14 ILE H 1 85 PHE QD 4.000 . 6.000 4.618 4.206 5.047 . 0 0 "[ . 1 . 2]" 1
1435 1 18 LEU H 1 90 ASP H 3.600 . 5.200 3.099 2.818 3.370 . 0 0 "[ . 1 . 2]" 1
1436 1 25 GLY H 1 59 HIS HE1 3.000 . 6.000 5.347 3.941 6.119 0.119 19 0 "[ . 1 . 2]" 1
1437 1 16 PHE QD 1 87 VAL MG1 3.400 . 4.800 2.131 1.848 2.771 0.152 10 0 "[ . 1 . 2]" 1
1438 1 21 ILE MG 1 89 PHE HA 3.400 . 4.800 3.494 3.419 3.599 . 0 0 "[ . 1 . 2]" 1
1439 1 41 ASP HA 1 48 MET HB2 3.300 . 6.000 5.899 5.695 6.032 0.032 6 0 "[ . 1 . 2]" 1
1440 1 38 LYS HA 1 38 LYS HB2 2.800 . 3.700 2.279 2.154 2.637 . 0 0 "[ . 1 . 2]" 1
1441 1 31 LEU HA 1 31 LEU HB2 2.300 . 3.000 2.209 2.014 2.363 . 0 0 "[ . 1 . 2]" 1
1442 1 52 ALA HA 1 55 ILE HB 3.100 . 4.300 3.160 3.013 3.298 . 0 0 "[ . 1 . 2]" 1
1443 1 21 ILE MG 1 22 ALA HA 3.400 . 4.900 3.129 3.037 3.243 . 0 0 "[ . 1 . 2]" 1
1444 1 30 GLU HA 1 33 LEU QB 3.100 . 4.300 2.204 2.091 2.285 . 0 0 "[ . 1 . 2]" 1
1445 1 32 LEU HA 1 32 LEU HG 2.900 . 3.900 2.511 2.164 3.220 . 0 0 "[ . 1 . 2]" 1
1446 1 18 LEU HA 1 21 ILE MG 1.200 . 2.200 2.040 1.816 2.191 . 0 0 "[ . 1 . 2]" 1
1447 1 46 GLU HA 1 50 LEU QB 4.000 . 6.000 4.461 3.958 5.336 . 0 0 "[ . 1 . 2]" 1
1448 1 29 ASP QB 1 32 LEU QD 3.700 . 5.400 2.735 2.194 3.407 . 0 0 "[ . 1 . 2]" 1
1449 1 18 LEU QD 1 89 PHE QB 4.000 . 6.000 1.867 1.606 2.012 0.394 20 0 "[ . 1 . 2]" 1
1450 1 18 LEU QD 1 89 PHE QB 3.300 . 4.600 1.948 1.748 2.303 0.252 11 0 "[ . 1 . 2]" 1
1451 1 23 ALA HA 1 24 GLU HB3 6.000 . 6.000 3.370 2.631 4.373 . 0 0 "[ . 1 . 2]" 1
1452 1 24 GLU HA 1 24 GLU HB3 2.200 . 2.800 2.298 2.148 2.428 . 0 0 "[ . 1 . 2]" 1
1453 1 43 PRO HB3 1 44 GLU HA 3.000 . 4.100 3.842 3.434 4.369 0.269 16 0 "[ . 1 . 2]" 1
1454 1 48 MET HB3 1 49 PRO QD 3.000 . 4.100 1.985 1.813 2.196 0.087 2 0 "[ . 1 . 2]" 1
1455 1 57 CYS HA 1 60 GLU HB3 2.800 . 3.800 3.723 3.471 3.953 0.153 7 0 "[ . 1 . 2]" 1
1456 1 60 GLU HA 1 60 GLU HB3 2.200 . 2.800 2.067 2.031 2.085 . 0 0 "[ . 1 . 2]" 1
1457 1 51 ARG QB 1 55 ILE MD 3.500 . 5.100 2.445 1.974 3.398 . 0 0 "[ . 1 . 2]" 1
1458 1 55 ILE HB 1 55 ILE MD 3.900 . 5.800 1.828 1.811 1.835 0.189 20 0 "[ . 1 . 2]" 1
1459 1 55 ILE HB 1 55 ILE MD 4.700 . 6.000 2.053 1.973 2.111 . 0 0 "[ . 1 . 2]" 1
1460 1 55 ILE HB 1 55 ILE HG12 3.000 . 4.100 2.165 2.063 2.239 . 0 0 "[ . 1 . 2]" 1
1461 1 51 ARG QB 1 55 ILE MD 2.800 . 3.800 2.276 1.937 2.599 . 0 0 "[ . 1 . 2]" 1
1462 1 14 ILE MG 1 15 HIS HB2 3.400 . 4.900 4.178 4.008 4.333 . 0 0 "[ . 1 . 2]" 1
1463 1 72 TYR H 1 73 LEU HB2 3.100 . 6.000 4.872 4.334 5.268 . 0 0 "[ . 1 . 2]" 1
1464 1 73 LEU HB3 1 86 HIS H 3.000 . 6.000 5.110 4.702 5.505 . 0 0 "[ . 1 . 2]" 1
1465 1 28 GLU HG3 1 29 ASP H 4.000 . 6.000 3.675 3.212 4.100 . 0 0 "[ . 1 . 2]" 1
1466 1 52 ALA HA 1 55 ILE H 3.500 . 5.100 3.817 3.708 3.909 . 0 0 "[ . 1 . 2]" 1
1467 1 16 PHE QD 1 36 MET H 5.000 . 6.000 4.304 3.856 5.328 . 0 0 "[ . 1 . 2]" 1
1468 1 30 GLU HB3 1 34 ASN HD22 4.200 . 6.000 3.568 3.182 3.954 . 0 0 "[ . 1 . 2]" 1
1469 1 19 LYS HD3 1 19 LYS QE 2.000 . 2.500 2.014 1.923 2.117 . 0 0 "[ . 1 . 2]" 1
1470 1 10 VAL HB 1 10 VAL MG1 2.000 . 2.500 1.772 1.768 1.774 . 0 0 "[ . 1 . 2]" 1
1471 1 43 PRO HD2 1 43 PRO HG3 2.100 . 2.700 2.115 2.100 2.123 . 0 0 "[ . 1 . 2]" 1
1472 1 10 VAL HA 1 10 VAL MG1 2.300 . 3.000 1.994 1.948 2.018 . 0 0 "[ . 1 . 2]" 1
1473 1 31 LEU HB2 1 31 LEU QD 2.500 . 3.300 1.991 1.837 2.113 . 0 0 "[ . 1 . 2]" 1
1474 1 67 LYS HB3 1 67 LYS QE 3.000 . 4.100 3.435 2.776 3.922 . 0 0 "[ . 1 . 2]" 1
1475 1 21 ILE MD 1 31 LEU QD 2.700 . 6.000 6.141 5.136 6.741 0.741 6 4 "[ .+ 1 * - *]" 1
1476 1 10 VAL MG1 1 84 GLN HA 3.300 . 6.000 5.140 4.655 5.389 . 0 0 "[ . 1 . 2]" 1
1477 1 20 ARG QB 1 21 ILE MG 3.700 . 5.400 3.913 2.777 4.745 . 0 0 "[ . 1 . 2]" 1
1478 1 75 PRO HA 1 77 ALA MB 3.800 . 5.600 4.270 4.144 4.412 . 0 0 "[ . 1 . 2]" 1
1479 1 32 LEU HG 1 36 MET HG3 3.500 . 5.100 3.679 2.923 4.307 . 0 0 "[ . 1 . 2]" 1
1480 1 21 ILE MD 1 32 LEU HA 3.800 . 5.600 4.581 4.294 5.197 . 0 0 "[ . 1 . 2]" 1
1481 1 36 MET ME 1 39 VAL HA 4.000 . 6.000 5.068 4.701 5.314 . 0 0 "[ . 1 . 2]" 1
1482 1 14 ILE MG 1 15 HIS HB2 4.100 . 6.000 3.621 3.162 3.937 . 0 0 "[ . 1 . 2]" 1
1483 1 18 LEU HA 1 20 ARG H 4.100 . 6.000 4.188 4.012 4.418 . 0 0 "[ . 1 . 2]" 1
1484 1 18 LEU QD 1 21 ILE H 4.300 . 6.000 4.198 3.624 5.178 . 0 0 "[ . 1 . 2]" 1
1485 1 36 MET HG3 1 39 VAL QG 4.200 . 6.000 4.674 3.844 5.379 . 0 0 "[ . 1 . 2]" 1
1486 1 35 GLN HB3 1 39 VAL QG 3.400 . 4.900 3.830 3.225 4.548 . 0 0 "[ . 1 . 2]" 1
1487 1 17 PRO HB2 1 18 LEU QB 4.400 . 6.000 4.209 3.738 4.857 . 0 0 "[ . 1 . 2]" 1
1488 1 11 ASP HB3 1 12 VAL HB 4.600 . 6.000 4.239 2.083 5.692 . 0 0 "[ . 1 . 2]" 1
1489 1 14 ILE HB 1 55 ILE MD 4.800 . 6.000 6.183 6.021 6.323 0.323 13 0 "[ . 1 . 2]" 1
1490 1 45 GLU HA 1 75 PRO QG 5.000 . 6.000 4.421 3.927 4.924 . 0 0 "[ . 1 . 2]" 1
1491 1 16 PHE QE 1 21 ILE HG13 5.400 . 6.000 4.493 4.248 4.796 . 0 0 "[ . 1 . 2]" 1
1492 1 16 PHE QE 1 21 ILE HG12 5.400 . 6.000 3.494 3.293 3.691 . 0 0 "[ . 1 . 2]" 1
1493 1 16 PHE QE 1 54 VAL HB 5.200 . 6.000 4.410 1.926 4.724 . 0 0 "[ . 1 . 2]" 1
1494 1 12 VAL QG 1 85 PHE HB2 6.000 . 6.000 4.222 3.513 4.821 . 0 0 "[ . 1 . 2]" 1
1495 1 50 LEU QB 1 53 TRP HD1 2.700 . 6.000 4.040 3.374 5.917 . 0 0 "[ . 1 . 2]" 1
1496 1 16 PHE QD 1 36 MET HG3 3.700 . 5.400 4.975 4.130 6.135 0.735 20 1 "[ . 1 . +]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 73
_Distance_constraint_stats_list.Viol_count 263
_Distance_constraint_stats_list.Viol_total 2230.892
_Distance_constraint_stats_list.Viol_max 5.704
_Distance_constraint_stats_list.Viol_rms 0.5728
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0764
_Distance_constraint_stats_list.Viol_average_violations_only 0.4241
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 10 VAL 0.050 0.046 14 0 "[ . 1 . 2]"
1 12 VAL 0.003 0.003 18 0 "[ . 1 . 2]"
1 14 ILE 0.032 0.032 16 0 "[ . 1 . 2]"
1 16 PHE 0.239 0.080 6 0 "[ . 1 . 2]"
1 17 PRO 0.349 0.084 6 0 "[ . 1 . 2]"
1 18 LEU 0.129 0.054 20 0 "[ . 1 . 2]"
1 20 ARG 0.907 0.084 6 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.558 0.073 11 0 "[ . 1 . 2]"
1 24 GLU 98.194 5.704 2 20 [*+*****-************]
1 29 ASP 98.194 5.704 2 20 [*+*****-************]
1 30 GLU 0.018 0.018 9 0 "[ . 1 . 2]"
1 31 LEU 0.885 0.118 17 0 "[ . 1 . 2]"
1 32 LEU 0.507 0.079 14 0 "[ . 1 . 2]"
1 33 LEU 1.805 0.170 11 0 "[ . 1 . 2]"
1 34 ASN 0.210 0.107 18 0 "[ . 1 . 2]"
1 35 GLN 4.085 0.215 14 0 "[ . 1 . 2]"
1 36 MET 0.507 0.079 14 0 "[ . 1 . 2]"
1 37 GLY 1.805 0.170 11 0 "[ . 1 . 2]"
1 38 LYS 0.192 0.107 18 0 "[ . 1 . 2]"
1 39 VAL 3.200 0.215 14 0 "[ . 1 . 2]"
1 47 GLY 1.339 0.160 13 0 "[ . 1 . 2]"
1 48 MET 1.818 0.224 4 0 "[ . 1 . 2]"
1 49 PRO 0.127 0.087 6 0 "[ . 1 . 2]"
1 50 LEU 0.062 0.047 2 0 "[ . 1 . 2]"
1 51 ARG 1.354 0.160 13 0 "[ . 1 . 2]"
1 52 ALA 2.719 0.224 4 0 "[ . 1 . 2]"
1 53 TRP 0.127 0.087 6 0 "[ . 1 . 2]"
1 54 VAL 0.062 0.047 2 0 "[ . 1 . 2]"
1 55 ILE 0.030 0.015 4 0 "[ . 1 . 2]"
1 56 LYS 1.027 0.113 15 0 "[ . 1 . 2]"
1 57 CYS 0.023 0.023 8 0 "[ . 1 . 2]"
1 58 ALA 0.007 0.007 6 0 "[ . 1 . 2]"
1 59 HIS 0.344 0.049 11 0 "[ . 1 . 2]"
1 60 GLU 0.127 0.069 14 0 "[ . 1 . 2]"
1 61 ALA 0.023 0.023 8 0 "[ . 1 . 2]"
1 62 LEU 0.007 0.007 6 0 "[ . 1 . 2]"
1 63 GLU 0.329 0.049 11 0 "[ . 1 . 2]"
1 69 ARG 0.008 0.008 6 0 "[ . 1 . 2]"
1 71 VAL 0.566 0.133 13 0 "[ . 1 . 2]"
1 73 LEU 0.049 0.049 5 0 "[ . 1 . 2]"
1 82 SER 0.050 0.046 14 0 "[ . 1 . 2]"
1 84 GLN 0.003 0.003 18 0 "[ . 1 . 2]"
1 85 PHE 0.049 0.049 5 0 "[ . 1 . 2]"
1 86 HIS 0.032 0.032 16 0 "[ . 1 . 2]"
1 87 VAL 0.566 0.133 13 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 PHE 0.008 0.008 6 0 "[ . 1 . 2]"
1 90 ASP 0.368 0.080 6 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 17 PRO O 1 20 ARG H 2.200 . 2.200 2.155 1.981 2.284 0.084 6 0 "[ . 1 . 2]" 2
2 1 17 PRO O 1 20 ARG N 3.200 2.200 3.200 2.915 2.802 3.030 . 0 0 "[ . 1 . 2]" 2
3 1 17 PRO O 1 21 ILE H 2.200 . 2.200 1.950 1.804 2.123 . 0 0 "[ . 1 . 2]" 2
4 1 17 PRO O 1 21 ILE N 3.200 2.200 3.200 2.913 2.767 3.089 . 0 0 "[ . 1 . 2]" 2
5 1 20 ARG O 1 23 ALA H 2.200 . 2.200 2.197 2.037 2.273 0.073 11 0 "[ . 1 . 2]" 2
6 1 20 ARG O 1 23 ALA N 3.200 2.200 3.200 3.049 2.929 3.146 . 0 0 "[ . 1 . 2]" 2
7 1 24 GLU O 1 29 ASP N 3.200 2.200 3.200 8.110 6.888 8.904 5.704 2 20 [*+*****-************] 2
8 1 30 GLU O 1 34 ASN H 1.800 . 2.100 1.879 1.678 2.118 0.018 9 0 "[ . 1 . 2]" 2
9 1 30 GLU O 1 34 ASN N 2.800 2.500 3.100 2.826 2.650 3.072 . 0 0 "[ . 1 . 2]" 2
10 1 31 LEU O 1 35 GLN H 1.800 . 2.100 2.060 1.713 2.218 0.118 17 0 "[ . 1 . 2]" 2
11 1 31 LEU O 1 35 GLN N 2.800 2.500 3.100 2.974 2.664 3.136 0.036 5 0 "[ . 1 . 2]" 2
12 1 32 LEU O 1 36 MET H 1.800 . 2.100 2.084 1.636 2.179 0.079 14 0 "[ . 1 . 2]" 2
13 1 32 LEU O 1 36 MET N 2.800 2.500 3.100 3.020 2.594 3.118 0.018 1 0 "[ . 1 . 2]" 2
14 1 33 LEU O 1 37 GLY H 1.800 . 2.100 2.148 1.769 2.270 0.170 11 0 "[ . 1 . 2]" 2
15 1 33 LEU O 1 37 GLY N 2.800 2.500 3.100 2.704 2.611 2.827 . 0 0 "[ . 1 . 2]" 2
16 1 34 ASN O 1 38 LYS H 1.800 . 2.100 2.051 1.875 2.207 0.107 18 0 "[ . 1 . 2]" 2
17 1 34 ASN O 1 38 LYS N 2.800 2.500 3.100 2.863 2.728 3.067 . 0 0 "[ . 1 . 2]" 2
18 1 35 GLN O 1 39 VAL H 1.800 . 2.100 2.197 2.098 2.315 0.215 14 0 "[ . 1 . 2]" 2
19 1 35 GLN O 1 39 VAL N 2.800 2.500 3.100 3.159 3.072 3.257 0.157 14 0 "[ . 1 . 2]" 2
20 1 47 GLY O 1 51 ARG H 1.800 . 2.100 2.139 1.958 2.260 0.160 13 0 "[ . 1 . 2]" 2
21 1 47 GLY O 1 51 ARG N 2.800 2.500 3.100 3.049 2.886 3.164 0.064 13 0 "[ . 1 . 2]" 2
22 1 48 MET O 1 52 ALA H 1.800 . 2.100 2.154 1.963 2.324 0.224 4 0 "[ . 1 . 2]" 2
23 1 48 MET O 1 52 ALA N 2.800 2.500 3.100 3.094 2.901 3.303 0.203 4 0 "[ . 1 . 2]" 2
24 1 49 PRO O 1 53 TRP H 1.800 . 2.100 1.876 1.698 2.187 0.087 6 0 "[ . 1 . 2]" 2
25 1 49 PRO O 1 53 TRP N 2.800 2.500 3.100 2.835 2.622 3.131 0.031 6 0 "[ . 1 . 2]" 2
26 1 50 LEU O 1 54 VAL H 1.800 . 2.100 1.889 1.570 2.147 0.047 2 0 "[ . 1 . 2]" 2
27 1 50 LEU O 1 54 VAL N 2.800 2.500 3.100 2.809 2.552 3.060 . 0 0 "[ . 1 . 2]" 2
28 1 51 ARG O 1 55 ILE H 1.800 . 2.100 1.888 1.714 2.113 0.013 4 0 "[ . 1 . 2]" 2
29 1 51 ARG O 1 55 ILE N 2.800 2.500 3.100 2.838 2.677 3.030 . 0 0 "[ . 1 . 2]" 2
30 1 52 ALA O 1 56 LYS H 1.800 . 2.100 2.127 2.009 2.213 0.113 15 0 "[ . 1 . 2]" 2
31 1 52 ALA O 1 56 LYS N 2.800 2.500 3.100 3.033 2.886 3.142 0.042 15 0 "[ . 1 . 2]" 2
32 1 53 TRP O 1 57 CYS H 1.800 . 2.100 1.808 1.687 1.949 . 0 0 "[ . 1 . 2]" 2
33 1 53 TRP O 1 57 CYS N 2.800 2.500 3.100 2.760 2.649 2.908 . 0 0 "[ . 1 . 2]" 2
34 1 54 VAL O 1 58 ALA H 1.800 . 2.100 1.902 1.651 2.079 . 0 0 "[ . 1 . 2]" 2
35 1 54 VAL O 1 58 ALA N 2.800 2.500 3.100 2.854 2.626 2.998 . 0 0 "[ . 1 . 2]" 2
36 1 55 ILE O 1 59 HIS H 1.800 . 2.100 1.953 1.806 2.115 0.015 4 0 "[ . 1 . 2]" 2
37 1 55 ILE O 1 59 HIS N 2.800 2.500 3.100 2.834 2.705 2.984 . 0 0 "[ . 1 . 2]" 2
38 1 56 LYS O 1 60 GLU H 1.800 . 2.100 1.956 1.755 2.169 0.069 14 0 "[ . 1 . 2]" 2
39 1 56 LYS O 1 60 GLU N 2.800 2.500 3.100 2.920 2.733 3.146 0.046 14 0 "[ . 1 . 2]" 2
40 1 57 CYS O 1 61 ALA H 1.800 . 2.100 1.930 1.812 2.123 0.023 8 0 "[ . 1 . 2]" 2
41 1 57 CYS O 1 61 ALA N 2.800 2.500 3.100 2.860 2.739 3.033 . 0 0 "[ . 1 . 2]" 2
42 1 58 ALA O 1 62 LEU H 1.800 . 2.100 1.941 1.862 2.107 0.007 6 0 "[ . 1 . 2]" 2
43 1 58 ALA O 1 62 LEU N 2.800 2.500 3.100 2.853 2.779 3.016 . 0 0 "[ . 1 . 2]" 2
44 1 59 HIS O 1 63 GLU H 1.800 . 2.100 2.049 1.802 2.149 0.049 11 0 "[ . 1 . 2]" 2
45 1 59 HIS O 1 63 GLU N 2.800 2.500 3.100 3.007 2.722 3.115 0.015 15 0 "[ . 1 . 2]" 2
46 1 73 LEU H 1 85 PHE O 1.800 . 2.100 1.861 1.644 2.149 0.049 5 0 "[ . 1 . 2]" 2
47 1 73 LEU N 1 85 PHE O 2.800 2.500 3.100 2.797 2.610 2.992 . 0 0 "[ . 1 . 2]" 2
48 1 73 LEU O 1 85 PHE H 1.800 . 2.100 1.822 1.656 1.989 . 0 0 "[ . 1 . 2]" 2
49 1 73 LEU O 1 85 PHE N 2.800 2.500 3.100 2.762 2.611 2.944 . 0 0 "[ . 1 . 2]" 2
50 1 71 VAL H 1 87 VAL O 1.800 . 2.100 1.762 1.685 1.976 . 0 0 "[ . 1 . 2]" 2
51 1 71 VAL N 1 87 VAL O 2.800 2.500 3.100 2.717 2.644 2.920 . 0 0 "[ . 1 . 2]" 2
52 1 71 VAL O 1 87 VAL H 1.800 . 2.100 2.062 1.725 2.233 0.133 13 0 "[ . 1 . 2]" 2
53 1 71 VAL O 1 87 VAL N 2.800 2.500 3.100 2.918 2.617 3.101 0.001 13 0 "[ . 1 . 2]" 2
54 1 69 ARG O 1 89 PHE H 1.800 . 2.100 1.782 1.599 2.108 0.008 6 0 "[ . 1 . 2]" 2
55 1 69 ARG O 1 89 PHE N 2.800 2.500 3.100 2.701 2.545 2.994 . 0 0 "[ . 1 . 2]" 2
56 1 10 VAL O 1 84 GLN H 1.800 . 2.100 1.864 1.726 2.080 . 0 0 "[ . 1 . 2]" 2
57 1 10 VAL O 1 84 GLN N 2.800 2.500 3.100 2.812 2.693 2.999 . 0 0 "[ . 1 . 2]" 2
58 1 10 VAL H 1 82 SER O 1.800 . 2.100 1.913 1.641 2.146 0.046 14 0 "[ . 1 . 2]" 2
59 1 10 VAL N 1 82 SER O 2.800 2.500 3.100 2.848 2.626 3.031 . 0 0 "[ . 1 . 2]" 2
60 1 12 VAL H 1 84 GLN O 1.800 . 2.100 1.926 1.743 2.103 0.003 18 0 "[ . 1 . 2]" 2
61 1 12 VAL N 1 84 GLN O 2.800 2.500 3.100 2.892 2.715 3.071 . 0 0 "[ . 1 . 2]" 2
62 1 12 VAL O 1 86 HIS H 1.800 . 2.100 1.730 1.605 1.916 . 0 0 "[ . 1 . 2]" 2
63 1 12 VAL O 1 86 HIS N 2.800 2.500 3.100 2.687 2.585 2.854 . 0 0 "[ . 1 . 2]" 2
64 1 14 ILE H 1 86 HIS O 1.800 . 2.100 1.899 1.672 2.132 0.032 16 0 "[ . 1 . 2]" 2
65 1 14 ILE N 1 86 HIS O 2.800 2.500 3.100 2.801 2.650 2.943 . 0 0 "[ . 1 . 2]" 2
66 1 14 ILE O 1 88 ILE H 1.800 . 2.100 1.770 1.673 1.953 . 0 0 "[ . 1 . 2]" 2
67 1 14 ILE O 1 88 ILE N 2.800 2.500 3.100 2.731 2.631 2.822 . 0 0 "[ . 1 . 2]" 2
68 1 16 PHE H 1 88 ILE O 1.800 . 2.100 1.771 1.624 1.925 . 0 0 "[ . 1 . 2]" 2
69 1 16 PHE N 1 88 ILE O 2.800 2.500 3.100 2.722 2.608 2.905 . 0 0 "[ . 1 . 2]" 2
70 1 16 PHE O 1 90 ASP H 1.800 . 2.100 2.017 1.742 2.180 0.080 6 0 "[ . 1 . 2]" 2
71 1 16 PHE O 1 90 ASP N 2.800 2.500 3.100 2.858 2.674 3.021 . 0 0 "[ . 1 . 2]" 2
72 1 18 LEU H 1 90 ASP O 1.800 . 2.100 1.837 1.654 2.154 0.054 20 0 "[ . 1 . 2]" 2
73 1 18 LEU N 1 90 ASP O 2.800 2.500 3.100 2.786 2.628 3.038 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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