NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395960 |
1s6j   |
6103 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s6j
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 849
_Distance_constraint_stats_list.Viol_count 1027
_Distance_constraint_stats_list.Viol_total 20719.973
_Distance_constraint_stats_list.Viol_max 11.448
_Distance_constraint_stats_list.Viol_rms 0.9273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1085
_Distance_constraint_stats_list.Viol_average_violations_only 1.3450
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 .]"
1 3 SER 0.072 0.055 13 0 "[ . 1 .]"
1 4 GLY 0.072 0.055 13 0 "[ . 1 .]"
1 5 HIS 2.698 0.863 8 1 "[ . + 1 .]"
1 6 ILE 1.253 0.292 8 0 "[ . 1 .]"
1 7 ASP 3.003 0.863 8 2 "[ . + 1 - .]"
1 8 ASP 1.066 0.539 13 1 "[ . 1 + .]"
1 10 ASP 4.690 0.611 2 3 "[ + . - 1 * .]"
1 11 LYS 4.784 0.611 2 2 "[ + . - 1 .]"
1 12 HIS 1.154 0.123 9 0 "[ . 1 .]"
1 13 MET 1.196 0.463 13 0 "[ . 1 .]"
1 14 ALA 0.187 0.132 13 0 "[ . 1 .]"
1 15 GLU 5.394 0.826 8 4 "[ * + 1 - *]"
1 16 ARG 3.827 0.906 12 1 "[ . 1 + .]"
1 17 LEU 1.985 0.865 12 1 "[ . 1 + .]"
1 18 SER 3.819 0.961 2 4 "[ + . * * -.]"
1 19 GLU 7.595 0.961 2 5 "[ + . * * * -.]"
1 20 GLU 3.211 0.396 2 0 "[ . 1 .]"
1 21 GLU 0.739 0.216 14 0 "[ . 1 .]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 23 GLY 1.185 0.209 6 0 "[ . 1 .]"
1 26 LYS 0.195 0.132 15 0 "[ . 1 .]"
1 27 GLU 1.048 0.407 12 0 "[ . 1 .]"
1 28 LEU 1.568 0.407 12 0 "[ . 1 .]"
1 29 PHE 2.708 0.175 9 0 "[ . 1 .]"
1 30 LYS 6.826 0.597 14 3 "[ *- 1 +.]"
1 31 MET 3.296 0.597 14 3 "[ *- 1 +.]"
1 32 ILE 3.793 0.317 15 0 "[ . 1 .]"
1 33 ASP 122.394 8.721 9 15 [*-******+******]
1 34 THR 0.829 0.203 10 0 "[ . 1 .]"
1 35 ASP 154.919 10.948 13 15 [***-********+**]
1 36 ASN 2.946 0.317 15 0 "[ . 1 .]"
1 37 SER 143.590 11.448 9 15 [***-****+******]
1 38 GLY 3.703 0.257 9 0 "[ . 1 .]"
1 39 THR 105.774 7.626 6 15 [**-**+*********]
1 40 ILE 6.526 0.618 13 2 "[ . 1 + -]"
1 41 THR 3.327 0.722 3 2 "[ + . - .]"
1 42 PHE 6.094 0.259 2 0 "[ . 1 .]"
1 43 ASP 1.614 0.603 4 2 "[- +. 1 .]"
1 44 GLU 125.409 8.876 14 15 [*********-***+*]
1 45 LEU 7.610 0.618 13 4 "[* *. 1 + -]"
1 46 LYS 5.887 0.634 15 5 "[* *. * - +]"
1 47 ASP 5.364 0.539 10 1 "[ . + .]"
1 48 GLY 3.283 0.417 3 0 "[ . 1 .]"
1 49 LEU 4.212 0.634 15 2 "[ . - 1 +]"
1 50 LYS 5.435 0.921 4 3 "[ +.* 1 -.]"
1 51 ARG 3.069 0.345 4 0 "[ . 1 .]"
1 52 VAL 2.819 0.788 6 2 "[ .+ 1 -.]"
1 53 GLY 0.477 0.403 13 0 "[ . 1 .]"
1 54 SER 5.683 0.914 4 4 "[ *+. * -.]"
1 55 GLU 5.669 0.914 4 4 "[ *+. * -.]"
1 56 LEU 1.237 0.218 2 0 "[ . 1 .]"
1 57 MET 1.583 0.419 4 0 "[ . 1 .]"
1 58 GLU 2.828 0.298 8 0 "[ . 1 .]"
1 59 SER 1.657 0.131 13 0 "[ . 1 .]"
1 60 GLU 0.995 0.274 12 0 "[ . 1 .]"
1 61 ILE 2.286 0.419 4 0 "[ . 1 .]"
1 62 LYS 3.398 0.289 11 0 "[ . 1 .]"
1 63 ASP 2.135 0.335 11 0 "[ . 1 .]"
1 64 LEU 2.024 0.426 10 0 "[ . 1 .]"
1 65 MET 1.768 0.426 10 0 "[ . 1 .]"
1 66 ASP 1.316 0.528 15 2 "[ . 1 -+]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 68 ALA 0.480 0.261 7 0 "[ . 1 .]"
1 69 ASP 126.148 9.118 7 15 [******+***-****]
1 70 ILE 2.192 0.189 10 0 "[ . 1 .]"
1 71 ASP 149.294 10.985 13 15 [*-**********+**]
1 72 LYS 2.232 0.428 14 0 "[ . 1 .]"
1 73 SER 132.330 9.762 13 15 [*-**********+**]
1 74 GLY 0.321 0.065 6 0 "[ . 1 .]"
1 75 THR 102.534 7.766 13 15 [***-********+**]
1 76 ILE 0.834 0.236 14 0 "[ . 1 .]"
1 77 ASP 0.948 0.111 10 0 "[ . 1 .]"
1 78 TYR 1.712 0.104 10 0 "[ . 1 .]"
1 79 GLY 0.375 0.075 5 0 "[ . 1 .]"
1 80 GLU 131.445 10.446 9 15 [***-****+******]
1 81 PHE 3.085 0.967 2 2 "[ + . 1- .]"
1 82 ILE 0.026 0.026 1 0 "[ . 1 .]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 .]"
2 1 CA 633.364 10.985 13 15 [***-********+**]
3 1 CA 642.645 11.448 9 15 [**-*****+******]
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 40 ILE HB 1 76 ILE H 3.700 . 5.400 3.488 3.314 3.684 . 0 0 "[ . 1 .]" 1
2 1 75 THR MG 1 76 ILE H 4.200 . 6.000 3.186 2.488 3.608 . 0 0 "[ . 1 .]" 1
3 1 69 ASP HB3 1 70 ILE H 4.700 . 6.000 3.801 2.267 4.429 . 0 0 "[ . 1 .]" 1
4 1 40 ILE MG 1 45 LEU H 3.400 . 4.900 3.189 2.978 3.390 . 0 0 "[ . 1 .]" 1
5 1 14 ALA H 1 14 ALA HA 2.700 . 3.600 2.858 2.775 2.902 . 0 0 "[ . 1 .]" 1
6 1 57 MET QB 1 58 GLU H 3.000 . 4.100 2.987 2.041 3.703 . 0 0 "[ . 1 .]" 1
7 1 58 GLU H 1 60 GLU HB2 4.000 . 6.000 5.381 5.131 5.849 . 0 0 "[ . 1 .]" 1
8 1 60 GLU HB2 1 61 ILE H 2.700 . 3.600 2.571 2.286 2.808 . 0 0 "[ . 1 .]" 1
9 1 16 ARG HG2 1 17 LEU H 2.900 . 4.000 2.620 2.151 3.471 . 0 0 "[ . 1 .]" 1
10 1 58 GLU HA 1 60 GLU H 3.500 . 5.000 3.303 2.610 3.696 . 0 0 "[ . 1 .]" 1
11 1 57 MET QB 1 60 GLU H 2.600 . 3.400 2.770 2.019 3.362 . 0 0 "[ . 1 .]" 1
12 1 18 SER HB2 1 19 GLU H 3.500 . 5.000 2.807 2.655 2.869 . 0 0 "[ . 1 .]" 1
13 1 61 ILE HB 1 62 LYS H 2.300 . 3.000 2.568 2.329 2.853 . 0 0 "[ . 1 .]" 1
14 1 57 MET H 1 57 MET ME 2.900 . 4.000 3.559 2.325 4.274 0.274 12 0 "[ . 1 .]" 1
15 1 7 ASP QB 1 8 ASP H 1.900 . 2.300 2.064 1.686 2.839 0.539 13 1 "[ . 1 + .]" 1
16 1 11 LYS HA 1 13 MET H 6.000 . 6.000 3.819 3.295 4.252 . 0 0 "[ . 1 .]" 1
17 1 15 GLU HB2 1 16 ARG H 2.600 . 3.500 3.065 1.694 3.716 0.216 14 0 "[ . 1 .]" 1
18 1 15 GLU HB2 1 16 ARG H 2.400 . 3.100 2.578 1.693 3.032 0.007 3 0 "[ . 1 .]" 1
19 1 15 GLU HG2 1 16 ARG H 3.700 . 5.400 2.898 1.876 3.966 0.124 12 0 "[ . 1 .]" 1
20 1 51 ARG H 1 51 ARG HA 2.600 . 3.400 2.499 2.453 2.550 . 0 0 "[ . 1 .]" 1
21 1 50 LYS QB 1 51 ARG H 2.200 . 2.800 2.315 2.123 2.487 . 0 0 "[ . 1 .]" 1
22 1 32 ILE HB 1 33 ASP H 2.400 . 3.100 2.264 1.983 2.530 . 0 0 "[ . 1 .]" 1
23 1 19 GLU HG2 1 20 GLU H 3.600 . 5.200 2.905 1.734 4.329 0.266 1 0 "[ . 1 .]" 1
24 1 19 GLU HB2 1 20 GLU H 2.300 . 3.000 2.755 2.349 3.396 0.396 2 0 "[ . 1 .]" 1
25 1 49 LEU HB2 1 50 LYS H 2.800 . 3.700 3.294 3.005 3.810 0.110 3 0 "[ . 1 .]" 1
26 1 49 LEU HB3 1 50 LYS H 3.400 . 4.900 3.521 2.390 3.878 . 0 0 "[ . 1 .]" 1
27 1 77 ASP HB3 1 78 TYR H 2.800 . 3.800 2.313 2.005 3.201 . 0 0 "[ . 1 .]" 1
28 1 14 ALA HA 1 15 GLU H 2.400 . 3.100 2.761 2.723 2.804 . 0 0 "[ . 1 .]" 1
29 1 26 LYS HB2 1 27 GLU H 2.800 . 3.800 2.273 1.960 2.739 . 0 0 "[ . 1 .]" 1
30 1 26 LYS HA 1 27 GLU H 3.100 . 4.300 2.768 2.695 2.785 . 0 0 "[ . 1 .]" 1
31 1 43 ASP HB2 1 44 GLU H 2.700 . 3.600 2.716 1.717 3.351 0.083 12 0 "[ . 1 .]" 1
32 1 43 ASP HA 1 44 GLU H 2.300 . 3.000 2.773 2.751 2.782 . 0 0 "[ . 1 .]" 1
33 1 43 ASP HA 1 46 LYS H 4.700 . 6.000 4.036 3.817 4.206 . 0 0 "[ . 1 .]" 1
34 1 45 LEU HG 1 46 LYS H 2.700 . 3.600 3.315 3.131 3.604 0.004 15 0 "[ . 1 .]" 1
35 1 45 LEU MD1 1 46 LYS H 3.200 . 4.500 2.667 2.533 2.834 . 0 0 "[ . 1 .]" 1
36 1 45 LEU HB3 1 46 LYS H 2.200 . 2.800 2.153 1.972 2.341 . 0 0 "[ . 1 .]" 1
37 1 30 LYS HA 1 32 ILE H 3.600 . 5.200 3.262 3.143 3.448 . 0 0 "[ . 1 .]" 1
38 1 32 ILE H 1 32 ILE HB 2.500 . 3.300 2.573 2.423 2.767 . 0 0 "[ . 1 .]" 1
39 1 31 MET H 1 32 ILE HB 5.400 . 6.000 4.472 4.248 4.738 . 0 0 "[ . 1 .]" 1
40 1 31 MET H 1 40 ILE HG13 4.700 . 6.000 5.220 4.279 5.849 . 0 0 "[ . 1 .]" 1
41 1 30 LYS HA 1 31 MET H 2.500 . 3.300 2.737 2.686 2.774 . 0 0 "[ . 1 .]" 1
42 1 34 THR HA 1 35 ASP H 3.000 . 4.200 3.261 3.206 3.368 . 0 0 "[ . 1 .]" 1
43 1 67 ALA MB 1 69 ASP H 3.700 . 5.400 4.707 4.049 5.021 . 0 0 "[ . 1 .]" 1
44 1 34 THR H 1 40 ILE HG13 5.600 . 6.000 4.577 3.466 5.227 . 0 0 "[ . 1 .]" 1
45 1 73 SER HA 1 74 GLY H 2.400 . 3.100 2.298 2.269 2.369 . 0 0 "[ . 1 .]" 1
46 1 43 ASP H 1 43 ASP HB3 2.400 . 3.100 2.320 2.242 2.611 . 0 0 "[ . 1 .]" 1
47 1 43 ASP H 1 44 GLU HB3 5.300 . 6.000 5.175 4.531 6.208 0.208 11 0 "[ . 1 .]" 1
48 1 26 LYS HA 1 30 LYS H 3.700 . 5.400 4.011 3.070 4.539 . 0 0 "[ . 1 .]" 1
49 1 26 LYS HA 1 30 LYS H 3.600 . 5.200 3.952 3.111 4.446 . 0 0 "[ . 1 .]" 1
50 1 30 LYS H 1 30 LYS HA 2.500 . 3.300 2.666 2.590 2.711 . 0 0 "[ . 1 .]" 1
51 1 29 PHE HA 1 30 LYS H 2.800 . 3.800 2.272 2.200 2.445 . 0 0 "[ . 1 .]" 1
52 1 30 LYS H 1 32 ILE HB 3.400 . 4.900 4.226 3.801 4.772 . 0 0 "[ . 1 .]" 1
53 1 30 LYS H 1 30 LYS HD3 3.700 . 5.400 3.886 3.311 4.321 . 0 0 "[ . 1 .]" 1
54 1 30 LYS H 1 40 ILE HG13 3.300 . 6.000 4.587 3.378 5.081 . 0 0 "[ . 1 .]" 1
55 1 35 ASP HB2 1 36 ASN H 3.100 . 4.300 3.176 2.769 3.340 . 0 0 "[ . 1 .]" 1
56 1 36 ASN HA 1 37 SER H 2.100 . 2.700 2.646 2.601 2.658 . 0 0 "[ . 1 .]" 1
57 1 35 ASP HB2 1 37 SER H 4.200 . 6.000 3.284 2.485 3.754 . 0 0 "[ . 1 .]" 1
58 1 49 LEU HB3 1 54 SER H 3.000 . 6.000 5.356 4.299 6.388 0.388 10 0 "[ . 1 .]" 1
59 1 53 GLY HA3 1 54 SER H 2.800 . 3.800 2.694 2.424 3.225 . 0 0 "[ . 1 .]" 1
60 1 52 VAL MG1 1 54 SER H 3.600 . 5.200 3.316 2.068 4.553 . 0 0 "[ . 1 .]" 1
61 1 58 GLU HA 1 59 SER H 2.300 . 3.000 2.701 2.408 3.093 0.093 15 0 "[ . 1 .]" 1
62 1 57 MET QB 1 59 SER H 3.000 . 4.100 2.642 2.424 3.351 . 0 0 "[ . 1 .]" 1
63 1 59 SER H 1 60 GLU HB2 3.800 . 5.600 4.407 4.292 4.552 . 0 0 "[ . 1 .]" 1
64 1 77 ASP H 1 77 ASP HB3 3.800 . 5.600 2.715 1.930 3.656 0.070 13 0 "[ . 1 .]" 1
65 1 78 TYR HB3 1 79 GLY H 3.700 . 5.400 3.150 2.584 4.368 . 0 0 "[ . 1 .]" 1
66 1 77 ASP HB3 1 79 GLY H 2.900 . 3.900 2.836 2.309 3.495 . 0 0 "[ . 1 .]" 1
67 1 54 SER H 1 55 GLU H 3.600 . 5.200 2.349 1.978 3.079 0.022 9 0 "[ . 1 .]" 1
68 1 6 ILE H 1 7 ASP H 2.600 . 3.500 2.883 2.265 3.528 0.028 15 0 "[ . 1 .]" 1
69 1 43 ASP H 1 45 LEU H 3.800 . 5.600 2.786 2.553 3.021 . 0 0 "[ . 1 .]" 1
70 1 79 GLY H 1 81 PHE H 3.300 . 4.700 2.783 2.426 2.964 . 0 0 "[ . 1 .]" 1
71 1 62 LYS H 1 63 ASP H 2.600 . 3.500 2.492 2.320 2.642 . 0 0 "[ . 1 .]" 1
72 1 10 ASP H 1 12 HIS H 2.200 . 2.800 2.372 2.231 2.482 . 0 0 "[ . 1 .]" 1
73 1 35 ASP H 1 37 SER H 3.300 . 4.700 3.213 3.089 3.289 . 0 0 "[ . 1 .]" 1
74 1 62 LYS H 1 62 LYS HE2 6.000 . 6.000 4.452 4.033 5.450 . 0 0 "[ . 1 .]" 1
75 1 48 GLY HA2 1 51 ARG H 3.800 . 5.600 3.935 3.285 4.355 . 0 0 "[ . 1 .]" 1
76 1 47 ASP HA 1 51 ARG H 3.900 . 5.800 3.288 3.099 3.566 . 0 0 "[ . 1 .]" 1
77 1 13 MET HA 1 15 GLU H 5.300 . 6.000 3.766 3.536 4.186 . 0 0 "[ . 1 .]" 1
78 1 32 ILE MG 1 34 THR H 5.800 . 6.000 3.924 3.687 4.338 . 0 0 "[ . 1 .]" 1
79 1 69 ASP HB3 1 71 ASP H 4.100 . 6.000 4.082 3.159 4.531 . 0 0 "[ . 1 .]" 1
80 1 59 SER H 1 61 ILE HG12 4.800 . 6.000 4.925 4.198 5.675 . 0 0 "[ . 1 .]" 1
81 1 46 LYS HB2 1 48 GLY H 6.000 . 6.000 4.620 4.245 4.747 . 0 0 "[ . 1 .]" 1
82 1 51 ARG H 1 52 VAL H 5.400 . 6.000 2.756 2.396 2.983 . 0 0 "[ . 1 .]" 1
83 1 19 GLU HG2 1 23 GLY H 2.900 . 6.000 5.407 4.209 6.209 0.209 6 0 "[ . 1 .]" 1
84 1 29 PHE H 1 30 LYS HB2 4.800 . 6.000 5.045 4.471 6.168 0.168 5 0 "[ . 1 .]" 1
85 1 26 LYS HB2 1 29 PHE H 3.300 . 4.700 4.579 4.178 4.832 0.132 15 0 "[ . 1 .]" 1
86 1 29 PHE H 1 30 LYS HA 5.200 . 6.000 5.358 5.144 5.531 . 0 0 "[ . 1 .]" 1
87 1 43 ASP HA 1 45 LEU H 3.700 . 5.400 3.291 3.216 3.403 . 0 0 "[ . 1 .]" 1
88 1 77 ASP HB3 1 80 GLU H 3.100 . 4.300 2.674 2.242 3.527 . 0 0 "[ . 1 .]" 1
89 1 68 ALA MB 1 80 GLU H 3.200 . 6.000 5.780 5.152 6.045 0.045 9 0 "[ . 1 .]" 1
90 1 56 LEU QB 1 60 GLU H 4.700 . 6.000 4.194 3.825 4.503 . 0 0 "[ . 1 .]" 1
91 1 60 GLU H 1 63 ASP H 5.400 . 6.000 4.825 4.468 5.219 . 0 0 "[ . 1 .]" 1
92 1 60 GLU HB3 1 62 LYS H 5.100 . 6.000 4.903 4.126 5.651 . 0 0 "[ . 1 .]" 1
93 1 40 ILE MG 1 68 ALA H 4.000 . 6.000 5.343 3.509 6.261 0.261 7 0 "[ . 1 .]" 1
94 1 34 THR H 1 37 SER H 6.000 . 6.000 5.536 5.278 5.701 . 0 0 "[ . 1 .]" 1
95 1 67 ALA H 1 69 ASP H 3.800 . 5.600 4.196 3.652 4.494 . 0 0 "[ . 1 .]" 1
96 1 65 MET ME 1 74 GLY H 3.400 . 6.000 4.275 3.049 4.978 . 0 0 "[ . 1 .]" 1
97 1 43 ASP H 1 45 LEU HG 6.000 . 6.000 5.876 5.217 6.603 0.603 4 2 "[- +. 1 .]" 1
98 1 61 ILE H 1 63 ASP H 5.100 . 6.000 3.916 3.436 4.318 . 0 0 "[ . 1 .]" 1
99 1 40 ILE H 1 41 THR HA 5.300 . 6.000 4.431 4.070 4.665 . 0 0 "[ . 1 .]" 1
100 1 41 THR H 1 45 LEU H 3.900 . 5.800 3.793 3.541 4.148 . 0 0 "[ . 1 .]" 1
101 1 27 GLU HA 1 28 LEU H 5.000 . 6.000 2.698 2.576 2.786 . 0 0 "[ . 1 .]" 1
102 1 30 LYS HA 1 33 ASP H 4.100 . 6.000 3.649 3.130 4.703 . 0 0 "[ . 1 .]" 1
103 1 33 ASP HA 1 41 THR H 6.000 . 6.000 4.688 4.384 5.072 . 0 0 "[ . 1 .]" 1
104 1 33 ASP H 1 34 THR HA 5.600 . 6.000 4.255 3.857 4.652 . 0 0 "[ . 1 .]" 1
105 1 61 ILE MG 1 66 ASP H 3.600 . 6.000 5.209 4.771 5.680 . 0 0 "[ . 1 .]" 1
106 1 73 SER HA 1 75 THR H 3.100 . 4.300 3.141 2.956 3.229 . 0 0 "[ . 1 .]" 1
107 1 40 ILE H 1 75 THR MG 5.000 . 6.000 3.917 2.505 4.697 . 0 0 "[ . 1 .]" 1
108 1 30 LYS H 1 33 ASP HB2 5.500 . 6.000 4.496 3.559 5.002 . 0 0 "[ . 1 .]" 1
109 1 33 ASP OD1 3 1 CA CA 2.400 . 2.800 10.948 10.400 11.521 8.721 9 15 [*-******+******] 1
110 1 35 ASP OD1 3 1 CA CA 2.400 . 2.800 12.864 11.612 13.748 10.948 13 15 [***-********+**] 1
111 1 37 SER OG 3 1 CA CA 2.400 . 2.800 12.253 10.993 14.248 11.448 9 15 [***-****+******] 1
112 1 39 THR O 3 1 CA CA 2.400 . 2.800 9.823 9.263 10.426 7.626 6 15 [**-**+*********] 1
113 1 44 GLU OE1 3 1 CA CA 2.400 . 2.800 10.955 9.695 11.676 8.876 14 15 [*-***********+*] 1
114 1 69 ASP OD1 2 1 CA CA 2.400 . 2.800 11.010 9.567 11.918 9.118 7 15 [***-**+********] 1
115 1 71 ASP OD1 2 1 CA CA 2.400 . 2.800 12.644 11.246 13.785 10.985 13 15 [*-**********+**] 1
116 1 73 SER OG 2 1 CA CA 2.400 . 2.800 11.436 10.763 12.562 9.762 13 15 [*-**********+**] 1
117 1 75 THR O 2 1 CA CA 2.400 . 2.800 9.621 8.261 10.566 7.766 13 15 [***-********+**] 1
118 1 80 GLU OE1 2 1 CA CA 2.400 . 2.800 11.514 10.124 13.246 10.446 9 15 [***-****+******] 1
119 1 55 GLU H 1 55 GLU HB2 3.100 . 4.300 2.909 2.147 3.481 . 0 0 "[ . 1 .]" 1
120 1 55 GLU H 1 55 GLU HB3 3.900 . 5.800 3.213 2.620 3.863 . 0 0 "[ . 1 .]" 1
121 1 54 SER HA 1 55 GLU H 3.200 . 4.500 3.387 2.111 3.532 . 0 0 "[ . 1 .]" 1
122 1 75 THR HB 1 76 ILE H 3.600 . 5.200 3.673 2.983 4.236 . 0 0 "[ . 1 .]" 1
123 1 76 ILE H 1 76 ILE HB 2.900 . 4.000 2.945 2.695 3.437 . 0 0 "[ . 1 .]" 1
124 1 76 ILE H 1 76 ILE MG 3.700 . 5.400 2.113 1.992 2.508 0.008 13 0 "[ . 1 .]" 1
125 1 40 ILE HG13 1 76 ILE H 2.500 . 6.000 5.975 5.463 6.236 0.236 14 0 "[ . 1 .]" 1
126 1 75 THR HA 1 76 ILE H 2.500 . 3.300 2.224 2.146 2.600 . 0 0 "[ . 1 .]" 1
127 1 41 THR HB 1 76 ILE H 3.300 . 6.000 5.479 4.289 6.006 0.006 14 0 "[ . 1 .]" 1
128 1 69 ASP HB2 1 70 ILE H 5.800 . 6.000 4.078 3.217 4.500 . 0 0 "[ . 1 .]" 1
129 1 70 ILE H 1 70 ILE HG12 3.500 . 5.000 4.363 3.516 4.716 . 0 0 "[ . 1 .]" 1
130 1 69 ASP HA 1 70 ILE H 2.600 . 3.400 2.143 2.106 2.223 . 0 0 "[ . 1 .]" 1
131 1 70 ILE H 1 70 ILE HA 3.000 . 4.200 2.889 2.885 2.894 . 0 0 "[ . 1 .]" 1
132 1 70 ILE H 1 70 ILE HB 2.600 . 3.500 2.609 2.377 2.713 . 0 0 "[ . 1 .]" 1
133 1 70 ILE H 1 70 ILE HG13 3.800 . 5.600 4.160 2.297 4.701 . 0 0 "[ . 1 .]" 1
134 1 70 ILE H 1 70 ILE MG 3.200 . 4.500 2.400 1.884 3.772 0.016 3 0 "[ . 1 .]" 1
135 1 7 ASP H 1 7 ASP HA 2.800 . 3.800 2.872 2.664 2.934 . 0 0 "[ . 1 .]" 1
136 1 6 ILE HA 1 7 ASP H 2.100 . 2.600 2.270 2.141 2.650 0.050 7 0 "[ . 1 .]" 1
137 1 7 ASP H 1 7 ASP QB 2.400 . 3.100 2.731 2.264 2.904 . 0 0 "[ . 1 .]" 1
138 1 6 ILE HB 1 7 ASP H 3.500 . 5.000 4.354 3.759 4.474 . 0 0 "[ . 1 .]" 1
139 1 6 ILE HG12 1 7 ASP H 5.100 . 6.000 4.746 3.654 5.390 . 0 0 "[ . 1 .]" 1
140 1 5 HIS HB2 1 7 ASP H 3.000 . 6.000 5.865 5.008 6.863 0.863 8 1 "[ . + 1 .]" 1
141 1 57 MET HA 1 58 GLU H 2.200 . 2.800 2.163 2.116 2.262 . 0 0 "[ . 1 .]" 1
142 1 58 GLU H 1 58 GLU HA 2.800 . 3.800 2.776 2.749 2.812 . 0 0 "[ . 1 .]" 1
143 1 58 GLU H 1 58 GLU HB2 2.500 . 3.300 2.782 2.375 3.598 0.298 8 0 "[ . 1 .]" 1
144 1 45 LEU H 1 45 LEU HB2 3.300 . 4.600 2.477 2.367 2.586 . 0 0 "[ . 1 .]" 1
145 1 45 LEU H 1 45 LEU MD2 4.000 . 6.000 4.251 4.206 4.292 . 0 0 "[ . 1 .]" 1
146 1 44 GLU HB3 1 45 LEU H 6.000 . 6.000 3.327 2.423 3.792 . 0 0 "[ . 1 .]" 1
147 1 13 MET HA 1 14 ALA H 2.800 . 3.700 3.440 3.280 3.516 . 0 0 "[ . 1 .]" 1
148 1 14 ALA H 1 14 ALA MB 2.200 . 2.800 2.174 2.036 2.334 . 0 0 "[ . 1 .]" 1
149 1 57 MET QG 1 58 GLU H 5.600 . 6.000 3.688 2.249 4.844 . 0 0 "[ . 1 .]" 1
150 1 58 GLU H 1 61 ILE HG13 4.900 . 6.000 4.808 4.207 5.456 . 0 0 "[ . 1 .]" 1
151 1 45 LEU H 1 45 LEU HB3 2.800 . 3.800 2.592 2.482 2.732 . 0 0 "[ . 1 .]" 1
152 1 80 GLU H 1 80 GLU HG2 3.800 . 6.000 3.073 1.761 4.451 . 0 0 "[ . 1 .]" 1
153 1 6 ILE H 1 6 ILE HA 2.800 . 3.800 2.892 2.776 2.942 . 0 0 "[ . 1 .]" 1
154 1 5 HIS HB2 1 6 ILE H 3.100 . 4.300 3.366 1.892 4.592 0.292 8 0 "[ . 1 .]" 1
155 1 5 HIS HB3 1 6 ILE H 3.700 . 5.400 3.700 1.896 4.450 0.104 9 0 "[ . 1 .]" 1
156 1 6 ILE H 1 7 ASP QB 5.100 . 6.000 5.005 4.068 5.715 . 0 0 "[ . 1 .]" 1
157 1 6 ILE H 1 6 ILE HB 2.300 . 3.000 2.604 2.310 3.030 0.030 15 0 "[ . 1 .]" 1
158 1 6 ILE H 1 6 ILE HG12 2.900 . 4.000 3.268 1.966 4.173 0.173 5 0 "[ . 1 .]" 1
159 1 6 ILE H 1 6 ILE MD 3.100 . 6.000 3.592 1.829 4.408 . 0 0 "[ . 1 .]" 1
160 1 61 ILE HA 1 64 LEU H 4.600 . 6.000 3.554 3.352 3.930 . 0 0 "[ . 1 .]" 1
161 1 63 ASP HA 1 64 LEU H 5.300 . 6.000 3.406 3.369 3.482 . 0 0 "[ . 1 .]" 1
162 1 64 LEU H 1 64 LEU HA 2.900 . 4.000 2.892 2.854 2.911 . 0 0 "[ . 1 .]" 1
163 1 63 ASP HB2 1 64 LEU H 3.700 . 5.400 3.818 2.987 4.129 . 0 0 "[ . 1 .]" 1
164 1 63 ASP HB3 1 64 LEU H 3.500 . 5.000 3.530 2.880 4.181 . 0 0 "[ . 1 .]" 1
165 1 64 LEU H 1 65 MET HB2 3.800 . 5.600 4.854 4.488 6.026 0.426 10 0 "[ . 1 .]" 1
166 1 64 LEU H 1 64 LEU QB 2.400 . 3.100 2.273 2.187 2.415 . 0 0 "[ . 1 .]" 1
167 1 62 LYS QD 1 64 LEU H 3.000 . 6.000 4.651 4.105 5.302 . 0 0 "[ . 1 .]" 1
168 1 64 LEU H 1 64 LEU MD2 3.900 . 5.800 3.974 2.329 4.300 . 0 0 "[ . 1 .]" 1
169 1 80 GLU HA 1 81 PHE H 4.200 . 6.000 3.518 3.423 3.562 . 0 0 "[ . 1 .]" 1
170 1 78 TYR HA 1 81 PHE H 4.600 . 6.000 3.715 3.265 4.100 . 0 0 "[ . 1 .]" 1
171 1 81 PHE H 1 81 PHE HB3 2.900 . 4.000 2.603 2.441 3.627 . 0 0 "[ . 1 .]" 1
172 1 81 PHE H 1 81 PHE HB2 2.800 . 3.800 2.527 2.453 2.646 . 0 0 "[ . 1 .]" 1
173 1 80 GLU HB2 1 81 PHE H 3.900 . 5.800 3.023 2.175 3.831 . 0 0 "[ . 1 .]" 1
174 1 76 ILE MG 1 81 PHE H 2.400 . 6.000 5.461 4.668 6.004 0.004 14 0 "[ . 1 .]" 1
175 1 41 THR HA 1 42 PHE H 2.300 . 3.000 2.291 2.186 2.449 . 0 0 "[ . 1 .]" 1
176 1 41 THR HB 1 42 PHE H 2.600 . 3.400 3.075 2.476 3.537 0.137 4 0 "[ . 1 .]" 1
177 1 42 PHE H 1 42 PHE HB3 2.500 . 3.300 2.522 2.278 2.675 . 0 0 "[ . 1 .]" 1
178 1 42 PHE H 1 42 PHE HA 2.500 . 3.300 2.674 2.637 2.805 . 0 0 "[ . 1 .]" 1
179 1 42 PHE H 1 42 PHE HB2 2.500 . 3.300 2.501 2.386 2.717 . 0 0 "[ . 1 .]" 1
180 1 42 PHE H 1 65 MET ME 2.900 . 4.000 2.987 1.825 4.027 0.027 2 0 "[ . 1 .]" 1
181 1 41 THR MG 1 42 PHE H 3.600 . 5.200 3.482 1.963 4.028 0.037 8 0 "[ . 1 .]" 1
182 1 18 SER HA 1 19 GLU H 2.500 . 3.300 2.267 2.148 2.774 . 0 0 "[ . 1 .]" 1
183 1 19 GLU H 1 19 GLU HB2 2.700 . 3.600 2.873 2.394 3.645 0.045 14 0 "[ . 1 .]" 1
184 1 17 LEU H 1 17 LEU HA 2.600 . 3.500 2.849 2.791 2.942 . 0 0 "[ . 1 .]" 1
185 1 17 LEU H 1 17 LEU HB3 4.200 . 6.000 3.111 2.427 3.698 . 0 0 "[ . 1 .]" 1
186 1 56 LEU H 1 56 LEU QB 3.000 . 4.200 2.655 2.322 3.026 . 0 0 "[ . 1 .]" 1
187 1 55 GLU HA 1 56 LEU H 3.000 . 4.100 2.846 2.381 3.422 . 0 0 "[ . 1 .]" 1
188 1 56 LEU H 1 56 LEU HG 2.700 . 3.600 2.758 1.755 3.727 0.127 9 0 "[ . 1 .]" 1
189 1 56 LEU H 1 56 LEU HA 2.900 . 4.000 2.872 2.739 2.946 . 0 0 "[ . 1 .]" 1
190 1 56 LEU H 1 56 LEU MD1 2.800 . 6.000 2.971 1.495 3.899 . 0 0 "[ . 1 .]" 1
191 1 55 GLU HB3 1 56 LEU H 6.000 . 6.000 4.236 3.228 4.652 . 0 0 "[ . 1 .]" 1
192 1 57 MET QG 1 60 GLU H 5.000 . 6.000 3.068 1.682 4.219 0.218 4 0 "[ . 1 .]" 1
193 1 60 GLU H 1 61 ILE MG 4.300 . 6.000 5.723 5.531 5.835 . 0 0 "[ . 1 .]" 1
194 1 60 GLU H 1 60 GLU HA 2.700 . 3.600 2.854 2.806 2.914 . 0 0 "[ . 1 .]" 1
195 1 59 SER HA 1 60 GLU H 3.800 . 5.600 3.495 3.393 3.556 . 0 0 "[ . 1 .]" 1
196 1 60 GLU H 1 60 GLU HB3 3.000 . 4.100 2.874 2.462 3.615 . 0 0 "[ . 1 .]" 1
197 1 60 GLU H 1 60 GLU HB2 2.200 . 2.800 2.514 2.392 2.641 . 0 0 "[ . 1 .]" 1
198 1 60 GLU H 1 61 ILE HG12 5.100 . 6.000 4.287 3.441 5.371 . 0 0 "[ . 1 .]" 1
199 1 59 SER HA 1 62 LYS H 3.800 . 5.600 3.681 3.134 3.929 . 0 0 "[ . 1 .]" 1
200 1 58 GLU HA 1 62 LYS H 4.700 . 6.000 4.920 4.139 5.496 . 0 0 "[ . 1 .]" 1
201 1 61 ILE HA 1 62 LYS H 5.000 . 6.000 3.496 3.420 3.572 . 0 0 "[ . 1 .]" 1
202 1 62 LYS H 1 62 LYS HB3 2.500 . 3.300 3.025 2.490 3.589 0.289 11 0 "[ . 1 .]" 1
203 1 62 LYS H 1 62 LYS QG 3.500 . 5.000 1.954 1.740 2.333 0.260 9 0 "[ . 1 .]" 1
204 1 61 ILE MG 1 62 LYS H 3.500 . 5.000 3.771 3.405 4.051 . 0 0 "[ . 1 .]" 1
205 1 62 LYS H 1 62 LYS HA 2.700 . 3.600 2.870 2.853 2.896 . 0 0 "[ . 1 .]" 1
206 1 27 GLU QB 1 28 LEU H 5.200 . 6.000 2.089 1.848 2.796 . 0 0 "[ . 1 .]" 1
207 1 56 LEU HA 1 57 MET H 2.300 . 3.000 2.362 2.086 2.554 . 0 0 "[ . 1 .]" 1
208 1 57 MET H 1 57 MET QG 3.800 . 5.000 3.145 2.036 4.113 . 0 0 "[ . 1 .]" 1
209 1 57 MET H 1 57 MET QB 2.800 . 3.800 2.685 2.280 3.069 . 0 0 "[ . 1 .]" 1
210 1 56 LEU QB 1 57 MET H 3.700 . 5.400 2.372 1.972 3.184 0.028 11 0 "[ . 1 .]" 1
211 1 56 LEU MD1 1 57 MET H 3.400 . 4.800 3.986 2.868 4.712 . 0 0 "[ . 1 .]" 1
212 1 57 MET H 1 60 GLU HB3 4.800 . 6.000 4.217 3.160 5.882 . 0 0 "[ . 1 .]" 1
213 1 11 LYS QB 1 13 MET H 2.600 . 6.000 4.804 4.437 5.131 . 0 0 "[ . 1 .]" 1
214 1 10 ASP H 1 11 LYS HD2 6.000 . 6.000 5.685 2.819 6.611 0.611 2 2 "[ + . - 1 .]" 1
215 1 10 ASP H 1 11 LYS HA 4.500 . 6.000 4.986 4.778 5.311 . 0 0 "[ . 1 .]" 1
216 1 13 MET H 1 14 ALA MB 4.700 . 6.000 4.210 3.971 4.409 . 0 0 "[ . 1 .]" 1
217 1 12 HIS QB 1 13 MET H 4.200 . 5.800 2.956 2.508 3.626 . 0 0 "[ . 1 .]" 1
218 1 13 MET H 1 13 MET HG2 4.100 . 6.000 3.816 2.158 4.614 . 0 0 "[ . 1 .]" 1
219 1 12 HIS HA 1 13 MET H 2.900 . 3.900 3.455 3.365 3.541 . 0 0 "[ . 1 .]" 1
220 1 13 MET H 1 13 MET HA 2.800 . 3.800 2.830 2.761 2.906 . 0 0 "[ . 1 .]" 1
221 1 13 MET H 1 13 MET HG3 4.400 . 6.000 3.607 2.004 4.568 . 0 0 "[ . 1 .]" 1
222 1 11 LYS H 1 13 MET HB2 6.000 . 6.000 5.397 4.501 6.463 0.463 13 0 "[ . 1 .]" 1
223 1 5 HIS HA 1 11 LYS H 2.400 . 6.000 5.726 4.835 6.027 0.027 7 0 "[ . 1 .]" 1
224 1 10 ASP HA 1 11 LYS H 2.600 . 3.400 3.469 3.373 3.537 0.137 15 0 "[ . 1 .]" 1
225 1 11 LYS H 1 11 LYS QB 2.000 . 2.500 2.462 2.410 2.538 0.038 14 0 "[ . 1 .]" 1
226 1 11 LYS H 1 11 LYS QG 2.300 . 3.000 2.391 2.073 2.864 . 0 0 "[ . 1 .]" 1
227 1 11 LYS H 1 11 LYS HA 2.500 . 3.300 2.896 2.865 2.909 . 0 0 "[ . 1 .]" 1
228 1 10 ASP HB2 1 11 LYS H 2.800 . 3.800 3.436 2.091 4.152 0.352 12 0 "[ . 1 .]" 1
229 1 83 ALA H 1 83 ALA MB 2.800 . 3.800 2.168 2.026 2.269 . 0 0 "[ . 1 .]" 1
230 1 11 LYS H 1 12 HIS HA 4.000 . 6.000 4.921 4.790 5.071 . 0 0 "[ . 1 .]" 1
231 1 10 ASP HA 1 13 MET H 4.600 . 6.000 3.832 3.060 4.594 . 0 0 "[ . 1 .]" 1
232 1 50 LYS HA 1 51 ARG H 3.400 . 4.900 3.476 3.369 3.556 . 0 0 "[ . 1 .]" 1
233 1 51 ARG H 1 51 ARG HB3 3.000 . 4.100 2.642 2.403 3.616 . 0 0 "[ . 1 .]" 1
234 1 50 LYS HG3 1 51 ARG H 4.000 . 6.000 4.531 2.361 5.335 . 0 0 "[ . 1 .]" 1
235 1 49 LEU H 1 49 LEU MD2 4.700 . 6.000 3.054 1.725 4.321 0.275 1 0 "[ . 1 .]" 1
236 1 49 LEU H 1 49 LEU HB2 3.100 . 4.300 2.461 2.373 2.607 . 0 0 "[ . 1 .]" 1
237 1 16 ARG H 1 16 ARG HA 2.700 . 3.600 2.866 2.762 2.937 . 0 0 "[ . 1 .]" 1
238 1 15 GLU HA 1 16 ARG H 2.600 . 3.400 3.243 2.855 3.512 0.112 15 0 "[ . 1 .]" 1
239 1 12 HIS QB 1 16 ARG H 4.000 . 6.000 5.543 5.251 5.703 . 0 0 "[ . 1 .]" 1
240 1 16 ARG H 1 16 ARG HB2 2.800 . 3.800 3.289 2.346 3.972 0.172 3 0 "[ . 1 .]" 1
241 1 16 ARG H 1 16 ARG HB3 2.900 . 3.900 3.137 2.584 3.921 0.021 12 0 "[ . 1 .]" 1
242 1 16 ARG H 1 16 ARG HG2 2.500 . 3.300 2.707 1.795 4.206 0.906 12 1 "[ . 1 + .]" 1
243 1 16 ARG H 1 16 ARG HD2 6.000 . 6.000 4.191 3.056 5.283 . 0 0 "[ . 1 .]" 1
244 1 66 ASP HB3 1 67 ALA H 3.900 . 5.800 2.846 2.144 4.095 . 0 0 "[ . 1 .]" 1
245 1 66 ASP HA 1 67 ALA H 5.100 . 6.000 3.523 3.438 3.581 . 0 0 "[ . 1 .]" 1
246 1 67 ALA H 1 67 ALA HA 2.500 . 3.300 2.858 2.751 2.919 . 0 0 "[ . 1 .]" 1
247 1 67 ALA H 1 67 ALA MB 2.300 . 6.000 2.170 2.023 2.289 . 0 0 "[ . 1 .]" 1
248 1 66 ASP HB2 1 67 ALA H 3.900 . 5.800 3.900 3.404 4.145 . 0 0 "[ . 1 .]" 1
249 1 33 ASP H 1 33 ASP HB2 2.600 . 3.400 2.515 2.282 2.745 . 0 0 "[ . 1 .]" 1
250 1 77 ASP HB2 1 78 TYR H 3.800 . 5.600 3.489 2.295 4.101 . 0 0 "[ . 1 .]" 1
251 1 20 GLU H 1 20 GLU HA 2.700 . 3.600 2.830 2.690 2.913 . 0 0 "[ . 1 .]" 1
252 1 65 MET H 1 65 MET HB2 2.800 . 3.800 2.696 2.408 3.600 . 0 0 "[ . 1 .]" 1
253 1 64 LEU MD2 1 65 MET H 4.500 . 6.000 4.307 3.556 4.710 . 0 0 "[ . 1 .]" 1
254 1 50 LYS H 1 51 ARG HA 6.000 . 6.000 4.980 4.774 5.258 . 0 0 "[ . 1 .]" 1
255 1 49 LEU MD2 1 50 LYS H 2.500 . 6.000 4.335 3.616 5.140 . 0 0 "[ . 1 .]" 1
256 1 47 ASP HA 1 50 LYS H 3.800 . 5.600 3.399 3.112 4.078 . 0 0 "[ . 1 .]" 1
257 1 50 LYS H 1 50 LYS HA 2.600 . 3.400 2.870 2.827 2.889 . 0 0 "[ . 1 .]" 1
258 1 48 GLY HA2 1 50 LYS H 6.000 . 6.000 4.181 3.925 4.426 . 0 0 "[ . 1 .]" 1
259 1 50 LYS H 1 50 LYS QB 2.000 . 2.500 2.297 2.241 2.510 0.010 13 0 "[ . 1 .]" 1
260 1 50 LYS H 1 50 LYS HD2 3.500 . 5.100 4.549 2.315 6.021 0.921 4 1 "[ +. 1 .]" 1
261 1 50 LYS H 1 50 LYS HG3 4.000 . 6.000 4.374 3.484 4.632 . 0 0 "[ . 1 .]" 1
262 1 77 ASP HA 1 78 TYR H 2.800 . 3.800 2.386 2.287 2.562 . 0 0 "[ . 1 .]" 1
263 1 78 TYR H 1 78 TYR HB3 2.900 . 4.000 3.016 2.569 3.613 . 0 0 "[ . 1 .]" 1
264 1 28 LEU HA 1 29 PHE H 3.600 . 5.200 3.563 3.518 3.584 . 0 0 "[ . 1 .]" 1
265 1 29 PHE H 1 29 PHE HB3 3.200 . 4.500 3.046 2.799 3.604 . 0 0 "[ . 1 .]" 1
266 1 29 PHE H 1 29 PHE HA 2.900 . 4.000 2.721 2.644 2.868 . 0 0 "[ . 1 .]" 1
267 1 28 LEU HB2 1 29 PHE H 3.200 . 4.500 2.619 2.015 3.869 . 0 0 "[ . 1 .]" 1
268 1 29 PHE H 1 29 PHE HB2 2.700 . 3.600 2.272 2.152 2.449 . 0 0 "[ . 1 .]" 1
269 1 28 LEU MD2 1 29 PHE H 4.700 . 6.000 4.102 2.899 4.516 . 0 0 "[ . 1 .]" 1
270 1 65 MET H 1 65 MET HB3 3.000 . 4.100 2.451 1.852 2.723 0.048 10 0 "[ . 1 .]" 1
271 1 41 THR H 1 41 THR HB 3.600 . 5.200 3.512 2.789 3.852 . 0 0 "[ . 1 .]" 1
272 1 40 ILE HA 1 41 THR H 2.300 . 3.000 2.208 2.151 2.274 . 0 0 "[ . 1 .]" 1
273 1 41 THR H 1 44 GLU HB3 3.200 . 4.500 2.940 1.875 3.316 0.025 12 0 "[ . 1 .]" 1
274 1 41 THR H 1 44 GLU HB2 3.000 . 4.100 3.113 1.952 4.822 0.722 3 2 "[ + . - .]" 1
275 1 41 THR H 1 41 THR MG 3.200 . 4.400 2.974 2.001 3.954 . 0 0 "[ . 1 .]" 1
276 1 40 ILE MG 1 41 THR H 2.900 . 4.000 2.234 1.858 2.578 . 0 0 "[ . 1 .]" 1
277 1 47 ASP H 1 47 ASP HB2 4.100 . 6.000 2.493 2.368 2.638 . 0 0 "[ . 1 .]" 1
278 1 2 SER QB 1 5 HIS H 2.200 . 6.000 4.370 2.525 5.682 . 0 0 "[ . 1 .]" 1
279 1 5 HIS H 1 5 HIS HB2 3.100 . 4.300 2.940 2.494 3.992 . 0 0 "[ . 1 .]" 1
280 1 5 HIS H 1 5 HIS HB3 3.100 . 4.300 3.521 2.707 3.833 . 0 0 "[ . 1 .]" 1
281 1 63 ASP H 1 63 ASP HA 2.800 . 3.800 2.843 2.797 2.900 . 0 0 "[ . 1 .]" 1
282 1 60 GLU HA 1 63 ASP H 3.200 . 4.500 3.487 3.146 4.160 . 0 0 "[ . 1 .]" 1
283 1 63 ASP H 1 63 ASP HB2 2.600 . 3.400 2.742 2.308 3.636 0.236 4 0 "[ . 1 .]" 1
284 1 62 LYS HB3 1 63 ASP H 3.700 . 5.500 3.742 3.339 4.107 . 0 0 "[ . 1 .]" 1
285 1 59 SER HA 1 63 ASP H 5.600 . 6.000 4.732 3.441 5.462 . 0 0 "[ . 1 .]" 1
286 1 62 LYS HA 1 63 ASP H 4.400 . 6.000 3.529 3.457 3.561 . 0 0 "[ . 1 .]" 1
287 1 63 ASP H 1 63 ASP HB3 3.000 . 4.100 2.846 2.499 3.637 . 0 0 "[ . 1 .]" 1
288 1 62 LYS HB2 1 63 ASP H 2.900 . 4.000 3.117 1.955 3.973 . 0 0 "[ . 1 .]" 1
289 1 3 SER H 1 3 SER HA 2.700 . 3.600 2.902 2.813 2.946 . 0 0 "[ . 1 .]" 1
290 1 2 SER QB 1 3 SER H 3.300 . 4.700 2.990 1.901 3.966 . 0 0 "[ . 1 .]" 1
291 1 15 GLU H 1 15 GLU HG2 2.900 . 3.900 3.197 1.882 4.046 0.146 13 0 "[ . 1 .]" 1
292 1 15 GLU H 1 15 GLU HB2 2.300 . 2.900 2.893 2.473 3.726 0.826 8 4 "[ * + 1 - *]" 1
293 1 14 ALA MB 1 15 GLU H 3.200 . 4.500 2.980 2.614 3.302 . 0 0 "[ . 1 .]" 1
294 1 27 GLU H 1 27 GLU HG2 3.600 . 5.300 3.638 1.879 4.650 0.021 15 0 "[ . 1 .]" 1
295 1 41 THR HA 1 44 GLU H 4.500 . 6.000 4.698 4.531 5.037 . 0 0 "[ . 1 .]" 1
296 1 43 ASP HB3 1 44 GLU H 3.300 . 4.700 2.608 2.186 3.574 . 0 0 "[ . 1 .]" 1
297 1 44 GLU H 1 44 GLU HB2 2.900 . 4.000 2.982 2.481 3.653 . 0 0 "[ . 1 .]" 1
298 1 44 GLU H 1 44 GLU HG3 2.500 . 3.300 2.593 2.079 3.314 0.014 2 0 "[ . 1 .]" 1
299 1 44 GLU H 1 45 LEU HB3 4.300 . 6.000 4.649 4.392 4.856 . 0 0 "[ . 1 .]" 1
300 1 41 THR MG 1 44 GLU H 2.800 . 6.000 4.075 2.249 4.818 . 0 0 "[ . 1 .]" 1
301 1 40 ILE MG 1 44 GLU H 4.100 . 6.000 4.254 3.691 4.644 . 0 0 "[ . 1 .]" 1
302 1 12 HIS H 1 12 HIS HA 2.600 . 3.500 2.868 2.814 2.916 . 0 0 "[ . 1 .]" 1
303 1 11 LYS HA 1 12 HIS H 2.800 . 3.800 3.396 3.337 3.489 . 0 0 "[ . 1 .]" 1
304 1 12 HIS H 1 12 HIS QB 2.700 . 3.400 2.276 2.110 2.331 . 0 0 "[ . 1 .]" 1
305 1 10 ASP HA 1 12 HIS H 4.000 . 6.000 4.061 3.662 4.810 . 0 0 "[ . 1 .]" 1
306 1 11 LYS QB 1 12 HIS H 2.800 . 3.800 3.227 2.872 3.621 . 0 0 "[ . 1 .]" 1
307 1 84 ALA H 1 84 ALA MB 3.200 . 4.500 2.303 2.025 2.861 . 0 0 "[ . 1 .]" 1
308 1 45 LEU HA 1 46 LYS H 4.200 . 6.000 3.553 3.537 3.563 . 0 0 "[ . 1 .]" 1
309 1 46 LYS H 1 46 LYS HA 2.900 . 3.900 2.756 2.720 2.789 . 0 0 "[ . 1 .]" 1
310 1 46 LYS H 1 46 LYS HG3 3.300 . 4.700 3.110 2.044 3.445 . 0 0 "[ . 1 .]" 1
311 1 45 LEU HB2 1 46 LYS H 3.600 . 5.300 3.623 3.489 3.796 . 0 0 "[ . 1 .]" 1
312 1 45 LEU MD2 1 46 LYS H 4.800 . 6.000 3.871 3.586 4.267 . 0 0 "[ . 1 .]" 1
313 1 31 MET HB2 1 32 ILE H 4.600 . 6.000 4.067 3.197 4.240 . 0 0 "[ . 1 .]" 1
314 1 32 ILE H 1 32 ILE MG 4.000 . 6.000 3.154 2.087 3.801 . 0 0 "[ . 1 .]" 1
315 1 32 ILE H 1 32 ILE HG12 3.400 . 4.900 3.736 2.507 4.792 . 0 0 "[ . 1 .]" 1
316 1 32 ILE H 1 40 ILE HG13 6.000 . 6.000 6.006 5.768 6.303 0.303 15 0 "[ . 1 .]" 1
317 1 32 ILE H 1 32 ILE MD 3.200 . 4.500 3.883 3.505 4.429 . 0 0 "[ . 1 .]" 1
318 1 17 LEU HA 1 18 SER H 2.800 . 3.800 2.242 2.139 2.522 . 0 0 "[ . 1 .]" 1
319 1 67 ALA MB 1 68 ALA H 4.800 . 6.000 2.843 2.203 3.260 . 0 0 "[ . 1 .]" 1
320 1 68 ALA H 1 68 ALA MB 3.800 . 5.600 2.217 2.066 2.436 . 0 0 "[ . 1 .]" 1
321 1 33 ASP HA 1 34 THR H 1.900 . 2.400 2.161 2.140 2.216 . 0 0 "[ . 1 .]" 1
322 1 33 ASP HB2 1 34 THR H 4.100 . 6.000 4.385 4.233 4.605 . 0 0 "[ . 1 .]" 1
323 1 34 THR H 1 44 GLU HB3 3.100 . 4.300 3.276 2.181 4.108 . 0 0 "[ . 1 .]" 1
324 1 33 ASP HB3 1 34 THR H 4.800 . 6.000 4.313 4.209 4.474 . 0 0 "[ . 1 .]" 1
325 1 34 THR H 1 34 THR MG 3.300 . 4.600 3.578 2.447 3.759 . 0 0 "[ . 1 .]" 1
326 1 34 THR H 1 34 THR HA 3.000 . 4.100 2.806 2.782 2.832 . 0 0 "[ . 1 .]" 1
327 1 34 THR H 1 34 THR HB 2.400 . 3.100 2.507 2.286 2.559 . 0 0 "[ . 1 .]" 1
328 1 31 MET H 1 31 MET HB3 3.400 . 4.900 2.583 2.274 3.629 . 0 0 "[ . 1 .]" 1
329 1 28 LEU HB2 1 31 MET H 3.000 . 6.000 5.560 5.337 6.224 0.224 15 0 "[ . 1 .]" 1
330 1 31 MET H 1 31 MET HG3 4.800 . 6.000 4.466 3.828 4.640 . 0 0 "[ . 1 .]" 1
331 1 31 MET H 1 31 MET HB2 2.200 . 2.800 2.600 2.107 2.808 0.008 15 0 "[ . 1 .]" 1
332 1 31 MET H 1 31 MET ME 3.700 . 5.400 4.378 3.843 5.630 0.230 4 0 "[ . 1 .]" 1
333 1 30 LYS HB2 1 31 MET H 2.600 . 3.400 3.136 2.419 3.997 0.597 14 3 "[ *- 1 +.]" 1
334 1 28 LEU HA 1 31 MET H 3.100 . 4.300 3.686 3.288 4.307 0.007 11 0 "[ . 1 .]" 1
335 1 35 ASP H 1 35 ASP HA 2.600 . 3.500 2.914 2.864 2.933 . 0 0 "[ . 1 .]" 1
336 1 33 ASP HA 1 35 ASP H 3.300 . 4.600 3.362 3.078 3.737 . 0 0 "[ . 1 .]" 1
337 1 34 THR HB 1 35 ASP H 2.700 . 3.600 3.333 3.162 3.803 0.203 10 0 "[ . 1 .]" 1
338 1 35 ASP H 1 35 ASP HB2 2.700 . 3.600 2.591 2.364 2.795 . 0 0 "[ . 1 .]" 1
339 1 35 ASP H 1 35 ASP HB3 2.800 . 3.800 2.969 2.566 3.691 . 0 0 "[ . 1 .]" 1
340 1 34 THR MG 1 35 ASP H 4.000 . 6.000 3.761 2.078 4.050 . 0 0 "[ . 1 .]" 1
341 1 37 SER HB2 1 38 GLY H 5.200 . 6.000 3.997 3.142 4.114 . 0 0 "[ . 1 .]" 1
342 1 38 GLY H 1 38 GLY HA2 2.800 . 3.800 2.430 2.402 2.448 . 0 0 "[ . 1 .]" 1
343 1 66 ASP H 1 66 ASP HA 2.700 . 3.600 2.802 2.702 2.893 . 0 0 "[ . 1 .]" 1
344 1 65 MET HA 1 66 ASP H 3.400 . 4.800 3.543 3.414 3.588 . 0 0 "[ . 1 .]" 1
345 1 65 MET QG 1 66 ASP H 4.400 . 6.000 3.746 2.716 4.220 . 0 0 "[ . 1 .]" 1
346 1 66 ASP H 1 66 ASP HB2 2.400 . 3.100 2.664 2.409 3.628 0.528 15 2 "[ . 1 -+]" 1
347 1 65 MET HB3 1 66 ASP H 2.400 . 3.100 2.352 1.946 2.865 . 0 0 "[ . 1 .]" 1
348 1 65 MET HB2 1 66 ASP H 3.700 . 5.400 3.705 3.434 4.022 . 0 0 "[ . 1 .]" 1
349 1 66 ASP H 1 67 ALA MB 5.000 . 6.000 4.377 4.062 4.663 . 0 0 "[ . 1 .]" 1
350 1 68 ALA HA 1 69 ASP H 4.100 . 6.000 3.525 3.300 3.577 . 0 0 "[ . 1 .]" 1
351 1 69 ASP H 1 69 ASP HB2 2.900 . 3.900 3.148 2.703 3.762 . 0 0 "[ . 1 .]" 1
352 1 69 ASP H 1 69 ASP HB3 2.800 . 3.800 2.568 2.311 2.959 . 0 0 "[ . 1 .]" 1
353 1 72 LYS HA 1 74 GLY H 3.300 . 4.700 3.121 3.015 3.355 . 0 0 "[ . 1 .]" 1
354 1 42 PHE HA 1 43 ASP H 3.300 . 4.700 3.557 3.499 3.582 . 0 0 "[ . 1 .]" 1
355 1 43 ASP H 1 43 ASP HA 2.600 . 3.400 2.768 2.738 2.828 . 0 0 "[ . 1 .]" 1
356 1 42 PHE HB3 1 43 ASP H 2.700 . 3.600 2.483 2.164 2.841 . 0 0 "[ . 1 .]" 1
357 1 42 PHE HB2 1 43 ASP H 3.300 . 4.700 3.863 3.646 4.085 . 0 0 "[ . 1 .]" 1
358 1 43 ASP H 1 43 ASP HB2 2.300 . 3.000 2.479 2.429 2.536 . 0 0 "[ . 1 .]" 1
359 1 43 ASP H 1 65 MET ME 4.600 . 6.000 5.085 4.528 5.916 . 0 0 "[ . 1 .]" 1
360 1 41 THR MG 1 43 ASP H 4.100 . 6.000 3.960 2.163 4.933 . 0 0 "[ . 1 .]" 1
361 1 41 THR HB 1 43 ASP H 3.500 . 5.000 3.418 2.759 5.009 0.009 11 0 "[ . 1 .]" 1
362 1 71 ASP H 1 71 ASP HA 2.600 . 3.500 2.815 2.780 2.852 . 0 0 "[ . 1 .]" 1
363 1 29 PHE HB3 1 30 LYS H 2.900 . 3.900 2.547 2.165 3.125 . 0 0 "[ . 1 .]" 1
364 1 71 ASP H 1 71 ASP QB 2.700 . 3.600 2.299 2.221 2.491 . 0 0 "[ . 1 .]" 1
365 1 70 ILE HB 1 71 ASP H 3.000 . 4.100 3.914 3.038 4.159 0.059 1 0 "[ . 1 .]" 1
366 1 69 ASP HA 1 71 ASP H 4.000 . 6.000 3.434 3.164 3.856 . 0 0 "[ . 1 .]" 1
367 1 30 LYS H 1 30 LYS HE2 4.900 . 6.000 5.483 4.115 6.589 0.589 14 1 "[ . 1 +.]" 1
368 1 30 LYS H 1 30 LYS HB2 2.400 . 3.100 2.788 2.438 3.551 0.451 2 0 "[ . 1 .]" 1
369 1 30 LYS H 1 30 LYS HD3 3.300 . 4.700 4.230 3.360 5.138 0.438 14 0 "[ . 1 .]" 1
370 1 30 LYS H 1 30 LYS QG 3.400 . 4.900 2.345 1.970 2.893 . 0 0 "[ . 1 .]" 1
371 1 70 ILE MG 1 71 ASP H 3.100 . 4.300 2.636 1.984 3.988 . 0 0 "[ . 1 .]" 1
372 1 33 ASP HB2 1 36 ASN H 6.000 . 6.000 3.822 3.550 4.081 . 0 0 "[ . 1 .]" 1
373 1 35 ASP HA 1 36 ASN H 3.200 . 4.500 3.436 3.358 3.493 . 0 0 "[ . 1 .]" 1
374 1 33 ASP HA 1 36 ASN H 4.800 . 6.000 3.966 3.646 4.200 . 0 0 "[ . 1 .]" 1
375 1 36 ASN H 1 36 ASN HA 1.900 . 2.300 2.282 2.274 2.291 . 0 0 "[ . 1 .]" 1
376 1 34 THR HB 1 36 ASN H 2.500 . 6.000 5.250 5.104 5.488 . 0 0 "[ . 1 .]" 1
377 1 36 ASN H 1 36 ASN HB3 3.200 . 4.500 3.861 2.987 4.064 . 0 0 "[ . 1 .]" 1
378 1 34 THR MG 1 36 ASN H 3.200 . 6.000 5.071 4.100 5.291 . 0 0 "[ . 1 .]" 1
379 1 71 ASP HA 1 72 LYS H 3.700 . 5.400 3.350 3.195 3.463 . 0 0 "[ . 1 .]" 1
380 1 72 LYS H 1 72 LYS HA 2.100 . 2.700 2.285 2.276 2.309 . 0 0 "[ . 1 .]" 1
381 1 72 LYS H 1 72 LYS HB2 2.900 . 4.000 3.662 3.205 3.978 . 0 0 "[ . 1 .]" 1
382 1 72 LYS H 1 72 LYS QD 4.700 . 5.600 3.433 1.920 4.924 0.080 11 0 "[ . 1 .]" 1
383 1 72 LYS H 1 72 LYS HG3 3.300 . 4.600 3.773 2.516 4.690 0.090 6 0 "[ . 1 .]" 1
384 1 72 LYS H 1 72 LYS HG2 2.900 . 4.000 3.446 2.505 4.428 0.428 14 0 "[ . 1 .]" 1
385 1 73 SER H 1 73 SER HA 2.400 . 3.100 2.524 2.307 2.762 . 0 0 "[ . 1 .]" 1
386 1 72 LYS HA 1 73 SER H 2.600 . 3.500 2.983 2.744 3.246 . 0 0 "[ . 1 .]" 1
387 1 73 SER H 1 73 SER HB2 3.400 . 4.900 3.567 2.494 3.695 . 0 0 "[ . 1 .]" 1
388 1 72 LYS HB2 1 73 SER H 4.100 . 6.000 4.057 3.542 4.449 . 0 0 "[ . 1 .]" 1
389 1 35 ASP HA 1 37 SER H 6.000 . 6.000 4.021 3.937 4.117 . 0 0 "[ . 1 .]" 1
390 1 37 SER H 1 37 SER HB2 3.200 . 4.500 3.557 2.601 3.652 . 0 0 "[ . 1 .]" 1
391 1 37 SER H 1 38 GLY HA2 6.000 . 6.000 4.680 4.569 4.783 . 0 0 "[ . 1 .]" 1
392 1 54 SER H 1 54 SER HA 2.500 . 3.300 2.882 2.802 2.931 . 0 0 "[ . 1 .]" 1
393 1 54 SER H 1 54 SER HB2 2.900 . 3.900 2.777 2.448 3.757 . 0 0 "[ . 1 .]" 1
394 1 52 VAL MG2 1 54 SER H 3.400 . 4.800 2.722 1.996 4.730 0.004 2 0 "[ . 1 .]" 1
395 1 54 SER H 1 55 GLU HB3 4.800 . 6.000 6.225 5.738 6.914 0.914 4 4 "[ *+. * -.]" 1
396 1 57 MET HA 1 59 SER H 4.300 . 6.000 3.504 3.164 3.823 . 0 0 "[ . 1 .]" 1
397 1 59 SER H 1 59 SER HA 2.600 . 3.400 2.872 2.817 2.909 . 0 0 "[ . 1 .]" 1
398 1 57 MET QG 1 59 SER H 4.700 . 6.000 2.807 1.772 4.608 0.128 11 0 "[ . 1 .]" 1
399 1 58 GLU QB 1 59 SER H 2.700 . 3.600 3.328 3.043 3.731 0.131 13 0 "[ . 1 .]" 1
400 1 59 SER H 1 61 ILE HG13 5.900 . 6.000 5.042 3.868 6.036 0.036 6 0 "[ . 1 .]" 1
401 1 4 GLY H 1 5 HIS HA 2.900 . 6.000 4.808 4.323 5.403 . 0 0 "[ . 1 .]" 1
402 1 3 SER HA 1 4 GLY H 2.600 . 3.500 3.154 2.151 3.555 0.055 13 0 "[ . 1 .]" 1
403 1 2 SER QB 1 4 GLY H 2.500 . 6.000 3.260 2.337 5.712 . 0 0 "[ . 1 .]" 1
404 1 48 GLY H 1 49 LEU MD2 4.300 . 6.000 4.911 3.578 6.417 0.417 3 0 "[ . 1 .]" 1
405 1 48 GLY H 1 48 GLY HA3 2.600 . 3.400 2.318 2.300 2.354 . 0 0 "[ . 1 .]" 1
406 1 47 ASP HB2 1 48 GLY H 4.100 . 6.000 3.851 3.058 4.255 . 0 0 "[ . 1 .]" 1
407 1 47 ASP HB3 1 48 GLY H 4.100 . 6.000 3.489 3.158 4.121 . 0 0 "[ . 1 .]" 1
408 1 52 VAL H 1 52 VAL MG2 3.800 . 5.600 2.367 1.985 3.810 0.015 10 0 "[ . 1 .]" 1
409 1 53 GLY H 1 53 GLY HA2 2.400 . 3.100 2.303 2.292 2.363 . 0 0 "[ . 1 .]" 1
410 1 52 VAL HA 1 53 GLY H 4.600 . 6.000 3.490 3.450 3.505 . 0 0 "[ . 1 .]" 1
411 1 53 GLY H 1 53 GLY HA3 2.900 . 4.000 2.781 2.691 2.924 . 0 0 "[ . 1 .]" 1
412 1 52 VAL MG2 1 53 GLY H 4.400 . 6.000 2.550 1.975 3.947 0.025 12 0 "[ . 1 .]" 1
413 1 39 THR H 1 40 ILE HA 3.300 . 4.600 4.560 4.477 4.624 0.024 5 0 "[ . 1 .]" 1
414 1 38 GLY HA3 1 39 THR H 3.400 . 4.900 3.347 3.273 3.443 . 0 0 "[ . 1 .]" 1
415 1 37 SER HA 1 39 THR H 3.900 . 5.800 4.726 4.508 4.892 . 0 0 "[ . 1 .]" 1
416 1 37 SER HB2 1 39 THR H 4.000 . 6.000 4.157 2.667 4.629 . 0 0 "[ . 1 .]" 1
417 1 39 THR H 1 39 THR HB 4.300 . 6.000 3.746 2.715 3.918 . 0 0 "[ . 1 .]" 1
418 1 38 GLY HA2 1 39 THR H 3.400 . 4.900 3.162 2.977 3.260 . 0 0 "[ . 1 .]" 1
419 1 39 THR H 1 39 THR MG 3.300 . 4.600 3.286 3.027 3.934 . 0 0 "[ . 1 .]" 1
420 1 76 ILE HA 1 77 ASP H 2.300 . 3.000 2.177 2.124 2.237 . 0 0 "[ . 1 .]" 1
421 1 71 ASP QB 1 77 ASP H 3.600 . 6.000 5.296 4.910 5.764 . 0 0 "[ . 1 .]" 1
422 1 76 ILE MG 1 77 ASP H 3.900 . 5.800 3.868 3.580 4.121 . 0 0 "[ . 1 .]" 1
423 1 73 SER HB2 1 75 THR H 4.400 . 6.000 3.522 2.758 3.827 . 0 0 "[ . 1 .]" 1
424 1 75 THR H 1 75 THR MG 3.600 . 5.200 3.053 2.166 3.882 . 0 0 "[ . 1 .]" 1
425 1 75 THR H 1 75 THR HB 4.300 . 6.000 3.252 2.528 3.858 . 0 0 "[ . 1 .]" 1
426 1 74 GLY HA3 1 75 THR H 3.300 . 4.700 3.130 2.983 3.292 . 0 0 "[ . 1 .]" 1
427 1 40 ILE H 1 40 ILE HA 2.600 . 3.400 2.942 2.935 2.948 . 0 0 "[ . 1 .]" 1
428 1 40 ILE H 1 76 ILE HB 4.500 . 6.000 5.582 5.089 6.013 0.013 10 0 "[ . 1 .]" 1
429 1 40 ILE H 1 40 ILE HB 2.700 . 3.600 2.454 2.404 2.493 . 0 0 "[ . 1 .]" 1
430 1 39 THR MG 1 40 ILE H 4.500 . 6.000 3.785 2.595 4.048 . 0 0 "[ . 1 .]" 1
431 1 40 ILE H 1 40 ILE HG13 3.200 . 4.500 3.101 2.726 3.968 . 0 0 "[ . 1 .]" 1
432 1 40 ILE H 1 40 ILE MG 4.900 . 6.000 3.752 3.686 3.785 . 0 0 "[ . 1 .]" 1
433 1 39 THR HB 1 40 ILE H 3.600 . 5.300 3.319 2.954 4.242 . 0 0 "[ . 1 .]" 1
434 1 79 GLY H 1 79 GLY HA3 2.400 . 3.100 2.307 2.292 2.343 . 0 0 "[ . 1 .]" 1
435 1 79 GLY H 1 79 GLY HA2 3.000 . 4.100 2.843 2.756 2.909 . 0 0 "[ . 1 .]" 1
436 1 13 MET H 1 14 ALA H 2.500 . 3.300 2.581 2.348 2.809 . 0 0 "[ . 1 .]" 1
437 1 14 ALA H 1 15 GLU H 2.400 . 3.100 2.422 2.141 2.687 . 0 0 "[ . 1 .]" 1
438 1 14 ALA H 1 16 ARG H 6.000 . 6.000 4.181 3.711 5.319 . 0 0 "[ . 1 .]" 1
439 1 6 ILE H 1 7 ASP H 3.400 . 4.900 4.130 3.520 4.421 . 0 0 "[ . 1 .]" 1
440 1 64 LEU H 1 65 MET H 2.900 . 4.000 2.371 2.257 2.512 . 0 0 "[ . 1 .]" 1
441 1 81 PHE H 1 81 PHE QD 5.100 . 6.000 4.008 1.748 4.193 0.052 14 0 "[ . 1 .]" 1
442 1 42 PHE H 1 42 PHE QD 4.600 . 6.000 4.134 4.098 4.155 . 0 0 "[ . 1 .]" 1
443 1 55 GLU H 1 56 LEU H 3.100 . 4.300 2.451 1.993 3.532 . 0 0 "[ . 1 .]" 1
444 1 57 MET H 1 60 GLU H 3.600 . 5.200 4.150 3.737 4.623 . 0 0 "[ . 1 .]" 1
445 1 60 GLU H 1 61 ILE H 2.400 . 3.100 2.439 2.229 2.610 . 0 0 "[ . 1 .]" 1
446 1 59 SER H 1 60 GLU H 2.600 . 3.400 2.450 2.255 2.672 . 0 0 "[ . 1 .]" 1
447 1 61 ILE H 1 62 LYS H 2.600 . 3.500 2.608 2.321 2.906 . 0 0 "[ . 1 .]" 1
448 1 42 PHE QR 1 62 LYS H 3.700 . 5.400 3.320 2.824 3.893 . 0 0 "[ . 1 .]" 1
449 1 60 GLU H 1 62 LYS H 4.300 . 6.000 4.165 3.745 4.516 . 0 0 "[ . 1 .]" 1
450 1 7 ASP H 1 8 ASP H 3.100 . 4.300 3.002 2.281 4.218 . 0 0 "[ . 1 .]" 1
451 1 13 MET H 1 15 GLU H 2.700 . 6.000 4.110 3.736 4.734 . 0 0 "[ . 1 .]" 1
452 1 12 HIS H 1 13 MET H 1.900 . 2.400 2.415 2.248 2.523 0.123 9 0 "[ . 1 .]" 1
453 1 11 LYS H 1 12 HIS H 1.900 . 2.300 2.324 2.190 2.396 0.096 7 0 "[ . 1 .]" 1
454 1 50 LYS H 1 51 ARG H 2.600 . 3.400 2.395 2.282 2.664 . 0 0 "[ . 1 .]" 1
455 1 51 ARG H 1 52 VAL H 2.900 . 4.000 2.781 2.406 3.015 . 0 0 "[ . 1 .]" 1
456 1 15 GLU H 1 16 ARG H 2.300 . 3.000 2.483 2.189 3.105 0.105 12 0 "[ . 1 .]" 1
457 1 67 ALA H 1 68 ALA H 3.100 . 4.300 2.528 2.239 2.908 . 0 0 "[ . 1 .]" 1
458 1 66 ASP H 1 67 ALA H 2.700 . 3.600 2.721 2.384 3.040 . 0 0 "[ . 1 .]" 1
459 1 78 TYR H 1 79 GLY H 3.400 . 4.900 2.742 2.496 2.995 . 0 0 "[ . 1 .]" 1
460 1 20 GLU H 1 21 GLU H 3.400 . 4.800 2.681 2.466 3.025 . 0 0 "[ . 1 .]" 1
461 1 19 GLU H 1 20 GLU H 3.200 . 4.500 2.521 2.337 3.035 . 0 0 "[ . 1 .]" 1
462 1 49 LEU H 1 50 LYS H 2.800 . 3.700 2.246 2.142 2.379 . 0 0 "[ . 1 .]" 1
463 1 78 TYR H 1 78 TYR QD 4.300 . 6.000 3.372 1.955 4.196 0.045 13 0 "[ . 1 .]" 1
464 1 28 LEU H 1 29 PHE H 3.100 . 4.300 2.921 2.463 3.346 . 0 0 "[ . 1 .]" 1
465 1 29 PHE H 1 30 LYS H 3.100 . 4.300 3.058 2.809 3.373 . 0 0 "[ . 1 .]" 1
466 1 29 PHE H 1 78 TYR QE 4.200 . 6.000 5.481 3.460 6.071 0.071 2 0 "[ . 1 .]" 1
467 1 62 LYS H 1 63 ASP H 2.800 . 3.800 2.563 2.342 2.771 . 0 0 "[ . 1 .]" 1
468 1 27 GLU H 1 28 LEU H 3.200 . 4.500 2.758 2.453 2.853 . 0 0 "[ . 1 .]" 1
469 1 26 LYS H 1 27 GLU H 3.600 . 5.300 2.786 2.434 2.976 . 0 0 "[ . 1 .]" 1
470 1 44 GLU H 1 45 LEU H 2.700 . 3.600 2.294 2.153 2.407 . 0 0 "[ . 1 .]" 1
471 1 41 THR H 1 44 GLU H 4.000 . 6.000 3.572 3.358 3.770 . 0 0 "[ . 1 .]" 1
472 1 45 LEU H 1 46 LYS H 2.900 . 4.000 2.873 2.592 3.142 . 0 0 "[ . 1 .]" 1
473 1 46 LYS H 1 47 ASP H 3.000 . 4.100 2.842 2.668 3.038 . 0 0 "[ . 1 .]" 1
474 1 32 ILE H 1 33 ASP H 2.500 . 3.300 2.321 2.140 2.563 . 0 0 "[ . 1 .]" 1
475 1 34 THR H 1 35 ASP H 2.300 . 3.000 2.598 2.520 2.691 . 0 0 "[ . 1 .]" 1
476 1 30 LYS H 1 31 MET H 2.600 . 3.500 2.715 2.530 2.956 . 0 0 "[ . 1 .]" 1
477 1 31 MET H 1 32 ILE H 2.500 . 3.300 2.496 2.295 2.708 . 0 0 "[ . 1 .]" 1
478 1 35 ASP H 1 37 SER H 3.800 . 5.600 3.865 3.648 4.077 . 0 0 "[ . 1 .]" 1
479 1 35 ASP H 1 36 ASN H 1.900 . 2.300 2.164 2.024 2.399 0.099 10 0 "[ . 1 .]" 1
480 1 29 PHE QE 1 38 GLY H 5.300 . 6.000 4.900 2.911 5.795 . 0 0 "[ . 1 .]" 1
481 1 68 ALA H 1 69 ASP H 3.300 . 4.700 2.617 2.096 2.978 . 0 0 "[ . 1 .]" 1
482 1 42 PHE H 1 43 ASP H 2.800 . 3.800 3.049 2.551 3.268 . 0 0 "[ . 1 .]" 1
483 1 43 ASP H 1 44 GLU H 2.800 . 3.800 2.793 2.630 2.920 . 0 0 "[ . 1 .]" 1
484 1 42 PHE QD 1 43 ASP H 3.700 . 5.400 3.623 3.105 4.009 . 0 0 "[ . 1 .]" 1
485 1 71 ASP H 1 73 SER H 4.300 . 6.000 4.186 4.022 4.305 . 0 0 "[ . 1 .]" 1
486 1 70 ILE H 1 71 ASP H 2.400 . 3.100 2.332 2.255 2.405 . 0 0 "[ . 1 .]" 1
487 1 36 ASN H 1 37 SER H 2.400 . 3.100 2.732 2.677 2.834 . 0 0 "[ . 1 .]" 1
488 1 70 ILE H 1 72 LYS H 6.000 . 6.000 4.112 3.905 4.297 . 0 0 "[ . 1 .]" 1
489 1 73 SER H 1 74 GLY H 2.500 . 3.300 2.450 2.165 2.684 . 0 0 "[ . 1 .]" 1
490 1 72 LYS H 1 73 SER H 2.500 . 3.300 2.805 2.594 3.084 . 0 0 "[ . 1 .]" 1
491 1 73 SER H 1 75 THR H 3.600 . 5.300 3.640 3.330 4.113 . 0 0 "[ . 1 .]" 1
492 1 52 VAL H 1 54 SER H 5.600 . 6.000 4.555 4.209 4.866 . 0 0 "[ . 1 .]" 1
493 1 53 GLY H 1 54 SER H 2.700 . 3.600 2.876 2.440 3.094 . 0 0 "[ . 1 .]" 1
494 1 58 GLU H 1 59 SER H 2.800 . 3.800 2.722 2.534 2.815 . 0 0 "[ . 1 .]" 1
495 1 59 SER H 1 61 ILE H 4.600 . 6.000 3.843 3.606 4.187 . 0 0 "[ . 1 .]" 1
496 1 4 GLY H 1 5 HIS H 3.400 . 4.900 2.907 2.107 4.438 . 0 0 "[ . 1 .]" 1
497 1 48 GLY H 1 49 LEU H 3.200 . 4.500 2.595 2.237 2.850 . 0 0 "[ . 1 .]" 1
498 1 52 VAL H 1 53 GLY H 2.900 . 4.000 2.300 2.049 2.627 . 0 0 "[ . 1 .]" 1
499 1 37 SER H 1 39 THR H 4.100 . 6.000 3.443 3.290 3.558 . 0 0 "[ . 1 .]" 1
500 1 74 GLY H 1 75 THR H 2.400 . 3.100 2.651 2.506 2.888 . 0 0 "[ . 1 .]" 1
501 1 79 GLY H 1 80 GLU H 3.200 . 4.500 2.620 2.397 2.926 . 0 0 "[ . 1 .]" 1
502 1 55 GLU H 1 56 LEU MD1 5.700 . 6.000 4.017 1.871 5.703 . 0 0 "[ . 1 .]" 1
503 1 78 TYR HB3 1 81 PHE H 3.600 . 6.000 5.809 5.426 6.035 0.035 7 0 "[ . 1 .]" 1
504 1 42 PHE H 1 44 GLU H 5.500 . 6.000 4.404 3.854 4.794 . 0 0 "[ . 1 .]" 1
505 1 41 THR H 1 42 PHE H 5.900 . 6.000 4.424 4.354 4.496 . 0 0 "[ . 1 .]" 1
506 1 19 GLU H 1 19 GLU HG2 4.300 . 6.000 3.298 1.984 4.639 0.016 3 0 "[ . 1 .]" 1
507 1 42 PHE H 1 75 THR MG 4.600 . 6.000 5.274 4.534 6.042 0.042 2 0 "[ . 1 .]" 1
508 1 42 PHE H 1 45 LEU MD2 6.000 . 6.000 4.387 4.039 4.770 . 0 0 "[ . 1 .]" 1
509 1 42 PHE H 1 65 MET QG 4.000 . 6.000 2.871 2.334 3.685 . 0 0 "[ . 1 .]" 1
510 1 11 LYS H 1 12 HIS QB 5.500 . 6.000 4.102 4.015 4.228 . 0 0 "[ . 1 .]" 1
511 1 51 ARG H 1 52 VAL MG2 4.800 . 6.000 4.351 3.809 5.740 . 0 0 "[ . 1 .]" 1
512 1 48 GLY HA3 1 51 ARG H 3.700 . 5.400 4.885 4.468 5.310 . 0 0 "[ . 1 .]" 1
513 1 16 ARG H 1 17 LEU QD 5.500 . 6.000 4.565 2.515 5.765 . 0 0 "[ . 1 .]" 1
514 1 32 ILE HA 1 33 ASP H 5.200 . 6.000 3.507 3.420 3.553 . 0 0 "[ . 1 .]" 1
515 1 29 PHE QE 1 78 TYR H 4.000 . 6.000 3.357 2.395 4.081 . 0 0 "[ . 1 .]" 1
516 1 18 SER HA 1 20 GLU H 4.800 . 6.000 3.446 3.092 4.362 . 0 0 "[ . 1 .]" 1
517 1 48 GLY HA3 1 50 LYS H 6.000 . 6.000 4.173 4.095 4.336 . 0 0 "[ . 1 .]" 1
518 1 29 PHE QD 1 78 TYR H 6.000 . 6.000 4.468 3.618 5.489 . 0 0 "[ . 1 .]" 1
519 1 39 THR MG 1 78 TYR H 3.300 . 6.000 5.450 4.535 6.082 0.082 8 0 "[ . 1 .]" 1
520 1 29 PHE H 1 29 PHE QE 4.900 . 6.000 5.638 3.945 6.099 0.099 3 0 "[ . 1 .]" 1
521 1 82 ILE H 1 82 ILE MD 5.300 . 6.000 3.826 2.044 4.467 . 0 0 "[ . 1 .]" 1
522 1 81 PHE H 1 82 ILE H 4.500 . 6.000 2.827 2.443 3.026 . 0 0 "[ . 1 .]" 1
523 1 47 ASP H 1 48 GLY H 4.700 . 6.000 2.763 2.547 2.915 . 0 0 "[ . 1 .]" 1
524 1 63 ASP H 1 64 LEU MD2 5.600 . 6.000 5.688 3.780 6.335 0.335 11 0 "[ . 1 .]" 1
525 1 15 GLU H 1 16 ARG HG2 5.400 . 6.000 4.472 3.403 6.248 0.248 12 0 "[ . 1 .]" 1
526 1 12 HIS H 1 13 MET HB2 5.900 . 6.000 4.802 4.520 6.078 0.078 13 0 "[ . 1 .]" 1
527 1 29 PHE HA 1 32 ILE H 4.100 . 6.000 3.478 3.026 3.751 . 0 0 "[ . 1 .]" 1
528 1 32 ILE H 1 33 ASP HB2 6.000 . 6.000 4.632 4.347 4.814 . 0 0 "[ . 1 .]" 1
529 1 31 MET H 1 32 ILE MG 6.000 . 6.000 5.041 3.659 5.991 . 0 0 "[ . 1 .]" 1
530 1 31 MET H 1 32 ILE MD 6.000 . 6.000 5.510 4.991 6.075 0.075 11 0 "[ . 1 .]" 1
531 1 29 PHE QD 1 38 GLY H 5.400 . 6.000 4.682 2.984 5.817 . 0 0 "[ . 1 .]" 1
532 1 35 ASP HA 1 38 GLY H 3.400 . 6.000 6.198 6.157 6.257 0.257 9 0 "[ . 1 .]" 1
533 1 33 ASP HB3 1 36 ASN H 4.200 . 6.000 2.390 2.049 2.947 . 0 0 "[ . 1 .]" 1
534 1 72 LYS H 1 73 SER HA 5.600 . 6.000 4.715 4.571 5.008 . 0 0 "[ . 1 .]" 1
535 1 69 ASP HB2 1 72 LYS H 4.700 . 6.000 4.856 3.424 5.639 . 0 0 "[ . 1 .]" 1
536 1 71 ASP QB 1 72 LYS H 5.400 . 6.000 3.232 2.918 3.717 . 0 0 "[ . 1 .]" 1
537 1 71 ASP HA 1 73 SER H 6.000 . 6.000 4.213 3.903 4.600 . 0 0 "[ . 1 .]" 1
538 1 73 SER H 1 74 GLY HA3 5.700 . 6.000 5.098 4.858 5.302 . 0 0 "[ . 1 .]" 1
539 1 36 ASN HB3 1 37 SER H 4.900 . 6.000 4.345 3.822 4.581 . 0 0 "[ . 1 .]" 1
540 1 37 SER H 1 39 THR MG 6.000 . 6.000 5.841 5.564 6.138 0.138 8 0 "[ . 1 .]" 1
541 1 57 MET H 1 59 SER H 6.000 . 6.000 4.590 4.268 4.996 . 0 0 "[ . 1 .]" 1
542 1 59 SER H 1 60 GLU HA 6.000 . 6.000 5.090 4.914 5.274 . 0 0 "[ . 1 .]" 1
543 1 47 ASP HA 1 48 GLY H 4.400 . 6.000 3.401 3.377 3.453 . 0 0 "[ . 1 .]" 1
544 1 48 GLY H 1 49 LEU HB2 6.000 . 6.000 4.868 4.401 5.101 . 0 0 "[ . 1 .]" 1
545 1 29 PHE QD 1 39 THR H 4.900 . 6.000 4.750 3.044 5.746 . 0 0 "[ . 1 .]" 1
546 1 29 PHE QE 1 39 THR H 5.300 . 6.000 4.140 3.312 4.978 . 0 0 "[ . 1 .]" 1
547 1 39 THR H 1 40 ILE H 5.400 . 6.000 4.227 4.144 4.290 . 0 0 "[ . 1 .]" 1
548 1 76 ILE MD 1 77 ASP H 5.100 . 6.000 3.833 2.104 4.444 . 0 0 "[ . 1 .]" 1
549 1 77 ASP H 1 77 ASP HB2 3.900 . 5.800 2.954 2.551 3.851 . 0 0 "[ . 1 .]" 1
550 1 77 ASP H 1 80 GLU HA 6.000 . 6.000 5.353 4.733 6.032 0.032 2 0 "[ . 1 .]" 1
551 1 77 ASP H 1 80 GLU H 4.400 . 6.000 3.537 3.181 3.834 . 0 0 "[ . 1 .]" 1
552 1 75 THR H 1 76 ILE HB 4.600 . 6.000 5.685 5.223 5.935 . 0 0 "[ . 1 .]" 1
553 1 78 TYR QD 1 79 GLY H 4.000 . 6.000 4.163 2.523 4.547 . 0 0 "[ . 1 .]" 1
554 1 40 ILE H 1 40 ILE MD 4.600 . 6.000 3.550 2.142 4.042 . 0 0 "[ . 1 .]" 1
555 1 40 ILE H 1 40 ILE HG12 4.800 . 6.000 4.116 3.975 4.246 . 0 0 "[ . 1 .]" 1
556 1 39 THR HA 1 40 ILE H 3.400 . 4.900 2.192 2.176 2.248 . 0 0 "[ . 1 .]" 1
557 1 29 PHE QD 1 40 ILE H 5.000 . 6.000 5.118 3.155 6.074 0.074 13 0 "[ . 1 .]" 1
558 1 77 ASP HB2 1 79 GLY H 4.200 . 6.000 3.446 2.697 4.829 . 0 0 "[ . 1 .]" 1
559 1 59 SER H 1 60 GLU HB3 6.000 . 6.000 5.124 4.453 6.092 0.092 6 0 "[ . 1 .]" 1
560 1 59 SER H 1 62 LYS QG 6.000 . 6.000 4.693 4.277 5.258 . 0 0 "[ . 1 .]" 1
561 1 56 LEU QB 1 59 SER H 6.000 . 6.000 5.799 5.461 5.956 . 0 0 "[ . 1 .]" 1
562 1 69 ASP HB2 1 77 ASP H 4.600 . 6.000 4.123 3.648 5.080 . 0 0 "[ . 1 .]" 1
563 1 81 PHE H 1 82 ILE HB 6.000 . 6.000 5.291 5.000 6.026 0.026 1 0 "[ . 1 .]" 1
564 1 80 GLU HG3 1 81 PHE H 5.200 . 6.000 3.845 1.791 4.985 0.009 4 0 "[ . 1 .]" 1
565 1 69 ASP HB2 1 81 PHE H 3.900 . 5.800 5.962 5.832 6.767 0.967 2 2 "[ + . 1- .]" 1
566 1 44 GLU H 1 45 LEU HB2 3.200 . 4.500 4.447 4.306 4.518 0.018 9 0 "[ . 1 .]" 1
567 1 44 GLU H 1 45 LEU HA 6.000 . 6.000 4.843 4.771 4.935 . 0 0 "[ . 1 .]" 1
568 1 42 PHE HA 1 44 GLU H 5.300 . 6.000 4.382 4.008 4.928 . 0 0 "[ . 1 .]" 1
569 1 41 THR HB 1 44 GLU H 5.200 . 6.000 3.903 2.659 4.932 . 0 0 "[ . 1 .]" 1
570 1 40 ILE HA 1 44 GLU H 5.900 . 6.000 5.565 5.291 5.815 . 0 0 "[ . 1 .]" 1
571 1 44 GLU H 1 47 ASP H 5.900 . 6.000 5.196 4.868 5.654 . 0 0 "[ . 1 .]" 1
572 1 42 PHE QE 1 43 ASP H 6.000 . 6.000 5.397 4.838 5.740 . 0 0 "[ . 1 .]" 1
573 1 43 ASP H 1 45 LEU H 5.600 . 6.000 3.790 3.482 3.962 . 0 0 "[ . 1 .]" 1
574 1 54 SER H 1 55 GLU H 4.400 . 6.000 3.350 3.023 4.206 . 0 0 "[ . 1 .]" 1
575 1 54 SER H 1 56 LEU QB 5.800 . 6.000 4.754 4.060 5.861 . 0 0 "[ . 1 .]" 1
576 1 42 PHE H 1 43 ASP HB3 6.000 . 6.000 5.332 4.976 6.079 0.079 2 0 "[ . 1 .]" 1
577 1 42 PHE H 1 43 ASP HA 5.800 . 6.000 5.554 5.161 5.707 . 0 0 "[ . 1 .]" 1
578 1 40 ILE MG 1 42 PHE H 5.300 . 6.000 4.389 4.143 4.704 . 0 0 "[ . 1 .]" 1
579 1 82 ILE HB 1 83 ALA H 4.600 . 6.000 3.511 2.180 4.159 . 0 0 "[ . 1 .]" 1
580 1 82 ILE HA 1 83 ALA H 5.300 . 6.000 3.506 3.408 3.593 . 0 0 "[ . 1 .]" 1
581 1 82 ILE H 1 83 ALA H 4.100 . 6.000 2.573 2.306 2.870 . 0 0 "[ . 1 .]" 1
582 1 54 SER HB3 1 55 GLU H 4.600 . 6.000 2.213 1.765 4.332 0.135 1 0 "[ . 1 .]" 1
583 1 54 SER HB2 1 55 GLU H 6.000 . 6.000 2.898 1.792 3.489 . 0 0 "[ . 1 .]" 1
584 1 40 ILE MG 1 76 ILE H 3.900 . 5.800 3.928 3.336 4.391 . 0 0 "[ . 1 .]" 1
585 1 40 ILE HA 1 76 ILE H 4.600 . 6.000 4.918 4.650 5.087 . 0 0 "[ . 1 .]" 1
586 1 75 THR H 1 76 ILE H 4.900 . 6.000 4.362 4.260 4.458 . 0 0 "[ . 1 .]" 1
587 1 76 ILE H 1 77 ASP H 6.000 . 6.000 4.485 4.278 4.566 . 0 0 "[ . 1 .]" 1
588 1 70 ILE H 1 80 GLU HA 6.000 . 6.000 4.951 3.905 6.050 0.050 10 0 "[ . 1 .]" 1
589 1 68 ALA HA 1 70 ILE H 5.400 . 6.000 5.456 4.911 6.015 0.015 11 0 "[ . 1 .]" 1
590 1 68 ALA MB 1 70 ILE H 3.100 . 6.000 5.311 4.739 5.706 . 0 0 "[ . 1 .]" 1
591 1 57 MET H 1 58 GLU H 6.000 . 6.000 4.268 4.015 4.562 . 0 0 "[ . 1 .]" 1
592 1 58 GLU H 1 59 SER HA 6.000 . 6.000 5.244 5.149 5.325 . 0 0 "[ . 1 .]" 1
593 1 42 PHE HA 1 45 LEU H 5.200 . 6.000 3.158 2.960 3.484 . 0 0 "[ . 1 .]" 1
594 1 80 GLU H 1 81 PHE H 2.900 . 4.000 2.419 2.271 2.791 . 0 0 "[ . 1 .]" 1
595 1 12 HIS HA 1 14 ALA H 4.200 . 6.000 3.808 3.304 4.543 . 0 0 "[ . 1 .]" 1
596 1 13 MET HG2 1 14 ALA H 4.500 . 6.000 4.565 3.863 5.181 . 0 0 "[ . 1 .]" 1
597 1 57 MET QB 1 61 ILE H 5.100 . 6.000 4.938 3.531 5.734 . 0 0 "[ . 1 .]" 1
598 1 56 LEU QB 1 61 ILE H 5.300 . 6.000 5.440 5.162 5.858 . 0 0 "[ . 1 .]" 1
599 1 60 GLU HA 1 61 ILE H 4.100 . 6.000 3.452 3.383 3.525 . 0 0 "[ . 1 .]" 1
600 1 79 GLY HA2 1 80 GLU H 5.300 . 6.000 3.494 3.388 3.563 . 0 0 "[ . 1 .]" 1
601 1 80 GLU H 1 80 GLU HG3 3.600 . 5.200 3.075 2.292 4.518 . 0 0 "[ . 1 .]" 1
602 1 80 GLU H 1 80 GLU HB3 3.600 . 5.200 3.262 2.468 3.645 . 0 0 "[ . 1 .]" 1
603 1 79 GLY HA3 1 80 GLU H 3.300 . 4.700 2.951 2.740 3.147 . 0 0 "[ . 1 .]" 1
604 1 76 ILE HA 1 80 GLU H 6.000 . 6.000 5.502 4.961 5.896 . 0 0 "[ . 1 .]" 1
605 1 64 LEU H 1 65 MET HB3 6.000 . 6.000 4.738 4.410 5.097 . 0 0 "[ . 1 .]" 1
606 1 62 LYS QG 1 64 LEU H 3.300 . 4.700 4.511 4.081 4.696 . 0 0 "[ . 1 .]" 1
607 1 76 ILE MD 1 81 PHE H 5.300 . 6.000 3.509 2.622 4.117 . 0 0 "[ . 1 .]" 1
608 1 18 SER HB3 1 19 GLU H 4.500 . 6.000 4.245 2.829 4.571 . 0 0 "[ . 1 .]" 1
609 1 17 LEU QD 1 19 GLU H 4.200 . 6.000 4.451 2.721 5.598 . 0 0 "[ . 1 .]" 1
610 1 16 ARG HB2 1 17 LEU H 3.700 . 5.400 3.130 1.776 4.481 0.224 5 0 "[ . 1 .]" 1
611 1 60 GLU H 1 61 ILE HA 5.700 . 6.000 5.043 4.861 5.175 . 0 0 "[ . 1 .]" 1
612 1 57 MET HA 1 60 GLU H 4.700 . 6.000 4.612 3.924 4.970 . 0 0 "[ . 1 .]" 1
613 1 56 LEU QB 1 60 GLU H 5.400 . 6.000 5.313 4.538 5.784 . 0 0 "[ . 1 .]" 1
614 1 62 LYS H 1 62 LYS QD 5.000 . 6.000 3.427 2.991 3.964 . 0 0 "[ . 1 .]" 1
615 1 60 GLU HA 1 62 LYS H 4.400 . 6.000 4.045 3.594 4.785 . 0 0 "[ . 1 .]" 1
616 1 57 MET H 1 61 ILE HG12 5.100 . 6.000 5.059 3.817 6.419 0.419 4 0 "[ . 1 .]" 1
617 1 56 LEU H 1 57 MET H 6.000 . 6.000 4.530 4.438 4.602 . 0 0 "[ . 1 .]" 1
618 1 57 MET H 1 61 ILE H 5.000 . 6.000 5.203 4.393 6.017 0.017 15 0 "[ . 1 .]" 1
619 1 47 ASP HB2 1 51 ARG H 3.800 . 5.600 5.665 5.473 5.945 0.345 4 0 "[ . 1 .]" 1
620 1 51 ARG H 1 52 VAL MG1 3.800 . 5.600 4.620 3.766 5.913 0.313 1 0 "[ . 1 .]" 1
621 1 51 ARG H 1 53 GLY H 5.200 . 6.000 4.123 3.803 4.363 . 0 0 "[ . 1 .]" 1
622 1 49 LEU H 1 49 LEU HB3 4.400 . 6.000 3.413 2.561 3.639 . 0 0 "[ . 1 .]" 1
623 1 48 GLY HA2 1 49 LEU H 6.000 . 6.000 3.546 3.517 3.570 . 0 0 "[ . 1 .]" 1
624 1 32 ILE HG12 1 33 ASP H 5.500 . 6.000 4.643 4.052 5.297 . 0 0 "[ . 1 .]" 1
625 1 32 ILE HG13 1 33 ASP H 4.100 . 6.000 2.664 1.984 3.314 0.016 8 0 "[ . 1 .]" 1
626 1 33 ASP H 1 34 THR H 5.200 . 6.000 4.408 4.200 4.524 . 0 0 "[ . 1 .]" 1
627 1 78 TYR H 1 79 GLY HA3 6.000 . 6.000 5.030 4.793 5.275 . 0 0 "[ . 1 .]" 1
628 1 41 THR H 1 44 GLU HA 5.300 . 6.000 5.298 4.875 5.789 . 0 0 "[ . 1 .]" 1
629 1 29 PHE H 1 31 MET H 4.600 . 6.000 4.256 3.815 4.676 . 0 0 "[ . 1 .]" 1
630 1 41 THR H 1 44 GLU HG2 3.300 . 4.700 3.612 1.851 4.795 0.095 13 0 "[ . 1 .]" 1
631 1 81 PHE QD 1 82 ILE H 5.400 . 6.000 4.000 3.596 4.440 . 0 0 "[ . 1 .]" 1
632 1 46 LYS HB2 1 47 ASP H 4.100 . 6.000 3.527 2.326 4.024 . 0 0 "[ . 1 .]" 1
633 1 46 LYS HD3 1 47 ASP H 5.400 . 6.000 4.746 3.986 5.998 . 0 0 "[ . 1 .]" 1
634 1 61 ILE HA 1 63 ASP H 5.500 . 6.000 4.717 4.209 5.059 . 0 0 "[ . 1 .]" 1
635 1 62 LYS QD 1 63 ASP H 4.600 . 6.000 3.303 2.167 4.716 . 0 0 "[ . 1 .]" 1
636 1 62 LYS QG 1 63 ASP H 3.900 . 5.800 2.729 1.995 3.481 0.005 15 0 "[ . 1 .]" 1
637 1 62 LYS QD 1 63 ASP H 4.200 . 6.000 2.562 1.880 3.395 0.120 15 0 "[ . 1 .]" 1
638 1 60 GLU H 1 63 ASP H 4.000 . 6.000 5.103 4.626 5.619 . 0 0 "[ . 1 .]" 1
639 1 83 ALA H 1 84 ALA H 3.400 . 4.900 2.749 2.610 2.972 . 0 0 "[ . 1 .]" 1
640 1 42 PHE HA 1 46 LYS H 4.200 . 6.000 3.786 3.477 3.998 . 0 0 "[ . 1 .]" 1
641 1 46 LYS H 1 47 ASP HB3 5.700 . 6.000 5.522 4.962 6.539 0.539 10 1 "[ . + .]" 1
642 1 44 GLU H 1 46 LYS H 6.000 . 6.000 4.614 4.400 4.999 . 0 0 "[ . 1 .]" 1
643 1 31 MET ME 1 32 ILE H 2.700 . 6.000 5.099 4.262 6.039 0.039 10 0 "[ . 1 .]" 1
644 1 32 ILE H 1 33 ASP HA 6.000 . 6.000 4.952 4.790 5.097 . 0 0 "[ . 1 .]" 1
645 1 18 SER H 1 18 SER HB3 4.000 . 6.000 3.152 2.514 3.764 . 0 0 "[ . 1 .]" 1
646 1 18 SER H 1 18 SER HB2 4.100 . 6.000 3.274 2.463 3.912 . 0 0 "[ . 1 .]" 1
647 1 18 SER H 1 19 GLU HB2 5.600 . 6.000 6.194 5.644 6.961 0.961 2 4 "[ + . * * -.]" 1
648 1 17 LEU HB2 1 18 SER H 4.200 . 6.000 3.836 2.272 4.465 . 0 0 "[ . 1 .]" 1
649 1 17 LEU HB3 1 18 SER H 4.500 . 6.000 3.555 2.183 4.439 . 0 0 "[ . 1 .]" 1
650 1 17 LEU QD 1 18 SER H 4.400 . 6.000 3.149 2.082 4.154 . 0 0 "[ . 1 .]" 1
651 1 17 LEU H 1 18 SER H 6.000 . 6.000 4.512 4.260 4.620 . 0 0 "[ . 1 .]" 1
652 1 67 ALA HA 1 68 ALA H 5.000 . 6.000 3.465 3.341 3.570 . 0 0 "[ . 1 .]" 1
653 1 34 THR H 1 40 ILE HA 5.700 . 6.000 4.828 4.369 5.342 . 0 0 "[ . 1 .]" 1
654 1 32 ILE HA 1 34 THR H 3.800 . 5.700 5.422 4.830 5.749 0.049 11 0 "[ . 1 .]" 1
655 1 34 THR H 1 35 ASP HB2 6.000 . 6.000 4.730 4.581 4.928 . 0 0 "[ . 1 .]" 1
656 1 34 THR H 1 35 ASP HB3 6.000 . 6.000 5.362 4.898 6.105 0.105 11 0 "[ . 1 .]" 1
657 1 34 THR H 1 44 GLU HB2 3.900 . 5.800 3.757 2.200 4.612 . 0 0 "[ . 1 .]" 1
658 1 34 THR H 1 40 ILE HG13 6.000 . 6.000 4.857 3.494 5.869 . 0 0 "[ . 1 .]" 1
659 1 36 ASN HB2 1 38 GLY H 3.700 . 5.400 5.328 4.974 5.629 0.229 2 0 "[ . 1 .]" 1
660 1 33 ASP HB2 1 38 GLY H 5.600 . 6.000 4.072 3.644 4.416 . 0 0 "[ . 1 .]" 1
661 1 38 GLY H 1 39 THR MG 5.300 . 6.000 4.683 4.452 5.579 . 0 0 "[ . 1 .]" 1
662 1 62 LYS QD 1 66 ASP H 3.700 . 5.400 4.902 4.617 5.128 . 0 0 "[ . 1 .]" 1
663 1 42 PHE QD 1 66 ASP H 3.900 . 6.000 5.477 4.857 6.032 0.032 12 0 "[ . 1 .]" 1
664 1 66 ASP H 1 69 ASP H 5.700 . 6.000 5.046 4.625 5.700 . 0 0 "[ . 1 .]" 1
665 1 65 MET HA 1 69 ASP H 3.300 . 4.700 4.090 3.331 4.535 . 0 0 "[ . 1 .]" 1
666 1 69 ASP H 1 70 ILE HB 6.000 . 6.000 5.984 5.700 6.088 0.088 12 0 "[ . 1 .]" 1
667 1 69 ASP HB2 1 74 GLY H 4.900 . 6.000 5.369 4.419 5.844 . 0 0 "[ . 1 .]" 1
668 1 72 LYS HB2 1 74 GLY H 4.600 . 6.000 5.008 4.628 5.386 . 0 0 "[ . 1 .]" 1
669 1 74 GLY H 1 75 THR MG 6.000 . 6.000 5.082 4.129 6.023 0.023 13 0 "[ . 1 .]" 1
670 1 43 ASP H 1 45 LEU HB3 4.900 . 6.000 4.881 4.627 5.057 . 0 0 "[ . 1 .]" 1
671 1 40 ILE MG 1 43 ASP H 5.200 . 6.000 5.532 5.220 5.787 . 0 0 "[ . 1 .]" 1
672 1 28 LEU H 1 30 LYS H 5.300 . 6.000 4.558 4.064 5.047 . 0 0 "[ . 1 .]" 1
673 1 29 PHE QE 1 30 LYS H 6.000 . 6.000 6.043 5.876 6.175 0.175 9 0 "[ . 1 .]" 1
674 1 36 ASN H 1 38 GLY H 3.800 . 5.600 3.956 3.862 4.106 . 0 0 "[ . 1 .]" 1
675 1 32 ILE H 1 36 ASN H 3.300 . 6.000 6.138 6.027 6.317 0.317 15 0 "[ . 1 .]" 1
676 1 69 ASP HA 1 72 LYS H 6.000 . 6.000 4.770 4.383 4.985 . 0 0 "[ . 1 .]" 1
677 1 72 LYS H 1 75 THR H 6.000 . 6.000 5.829 5.402 6.049 0.049 6 0 "[ . 1 .]" 1
678 1 72 LYS H 1 74 GLY H 4.400 . 6.000 4.191 3.656 4.556 . 0 0 "[ . 1 .]" 1
679 1 70 ILE MG 1 72 LYS H 3.600 . 6.000 4.215 4.046 4.376 . 0 0 "[ . 1 .]" 1
680 1 69 ASP HB2 1 73 SER H 5.700 . 6.000 5.268 4.079 6.015 0.015 5 0 "[ . 1 .]" 1
681 1 72 LYS QD 1 73 SER H 3.700 . 5.400 4.603 3.590 5.271 . 0 0 "[ . 1 .]" 1
682 1 72 LYS HG3 1 73 SER H 3.800 . 5.600 5.102 3.672 5.840 0.240 1 0 "[ . 1 .]" 1
683 1 70 ILE H 1 73 SER H 6.000 . 6.000 6.100 5.994 6.189 0.189 10 0 "[ . 1 .]" 1
684 1 37 SER H 1 40 ILE HA 5.900 . 6.000 6.104 6.066 6.129 0.129 6 0 "[ . 1 .]" 1
685 1 37 SER H 1 38 GLY H 2.100 . 2.700 2.279 2.163 2.395 . 0 0 "[ . 1 .]" 1
686 1 52 VAL HB 1 54 SER H 5.300 . 6.000 4.029 3.194 5.046 . 0 0 "[ . 1 .]" 1
687 1 44 GLU HA 1 48 GLY H 3.800 . 5.600 5.250 4.435 5.652 0.052 11 0 "[ . 1 .]" 1
688 1 48 GLY H 1 61 ILE MD 3.100 . 6.000 5.038 4.399 6.041 0.041 9 0 "[ . 1 .]" 1
689 1 45 LEU MD2 1 48 GLY H 3.900 . 6.000 6.028 5.951 6.202 0.202 9 0 "[ . 1 .]" 1
690 1 46 LYS H 1 48 GLY H 4.600 . 6.000 4.184 3.942 4.369 . 0 0 "[ . 1 .]" 1
691 1 52 VAL H 1 52 VAL MG1 4.100 . 6.000 2.653 2.195 3.765 . 0 0 "[ . 1 .]" 1
692 1 51 ARG HA 1 52 VAL H 4.600 . 6.000 3.485 3.351 3.553 . 0 0 "[ . 1 .]" 1
693 1 53 GLY H 1 54 SER HB2 6.000 . 6.000 5.229 4.914 6.403 0.403 13 0 "[ . 1 .]" 1
694 1 52 VAL MG1 1 53 GLY H 5.100 . 6.000 3.680 1.983 4.066 . 0 0 "[ . 1 .]" 1
695 1 35 ASP HB3 1 39 THR H 6.000 . 6.000 4.492 3.838 5.570 . 0 0 "[ . 1 .]" 1
696 1 76 ILE HB 1 77 ASP H 6.000 . 6.000 4.019 3.860 4.182 . 0 0 "[ . 1 .]" 1
697 1 77 ASP H 1 80 GLU HB3 4.000 . 6.000 3.913 2.251 4.700 . 0 0 "[ . 1 .]" 1
698 1 77 ASP H 1 80 GLU HG3 4.700 . 6.000 3.384 2.032 5.548 . 0 0 "[ . 1 .]" 1
699 1 72 LYS HA 1 75 THR H 3.200 . 6.000 5.526 5.336 5.919 . 0 0 "[ . 1 .]" 1
700 1 69 ASP HB2 1 75 THR H 5.900 . 6.000 5.183 4.613 5.906 . 0 0 "[ . 1 .]" 1
701 1 22 ILE HB 1 23 GLY H 4.800 . 6.000 3.582 2.288 4.254 . 0 0 "[ . 1 .]" 1
702 1 55 GLU H 1 56 LEU HG 5.900 . 6.000 4.092 2.438 5.912 . 0 0 "[ . 1 .]" 1
703 1 70 ILE H 1 71 ASP QB 6.000 . 6.000 4.169 3.943 4.536 . 0 0 "[ . 1 .]" 1
704 1 56 LEU HA 1 58 GLU H 4.100 . 6.000 6.013 5.657 6.218 0.218 2 0 "[ . 1 .]" 1
705 1 58 GLU HA 1 61 ILE H 3.700 . 5.400 3.403 2.884 3.715 . 0 0 "[ . 1 .]" 1
706 1 57 MET QG 1 61 ILE H 4.700 . 6.000 4.881 3.598 5.582 . 0 0 "[ . 1 .]" 1
707 1 60 GLU HB3 1 61 ILE H 3.900 . 5.800 3.263 2.591 4.039 . 0 0 "[ . 1 .]" 1
708 1 61 ILE H 1 61 ILE HG12 2.300 . 3.000 2.524 1.893 3.297 0.297 4 0 "[ . 1 .]" 1
709 1 40 ILE H 1 78 TYR H 6.000 . 6.000 5.910 5.633 6.056 0.056 4 0 "[ . 1 .]" 1
710 1 29 PHE QE 1 40 ILE H 4.900 . 6.000 3.376 2.141 4.763 . 0 0 "[ . 1 .]" 1
711 1 40 ILE H 1 76 ILE MG 4.100 . 6.000 2.906 2.449 3.585 . 0 0 "[ . 1 .]" 1
712 1 55 GLU H 1 56 LEU QB 6.000 . 6.000 4.204 3.756 5.154 . 0 0 "[ . 1 .]" 1
713 1 52 VAL MG2 1 55 GLU H 4.600 . 6.000 4.851 4.128 6.408 0.408 13 0 "[ . 1 .]" 1
714 1 42 PHE QD 1 45 LEU H 6.000 . 6.000 4.712 4.389 5.326 . 0 0 "[ . 1 .]" 1
715 1 44 GLU HG2 1 45 LEU H 5.400 . 6.000 4.169 2.536 5.182 . 0 0 "[ . 1 .]" 1
716 1 12 HIS QB 1 14 ALA H 4.000 . 6.000 4.661 4.384 4.807 . 0 0 "[ . 1 .]" 1
717 1 14 ALA H 1 15 GLU HG2 6.000 . 6.000 4.946 3.352 6.132 0.132 13 0 "[ . 1 .]" 1
718 1 11 LYS QB 1 14 ALA H 4.200 . 6.000 4.843 4.125 5.252 . 0 0 "[ . 1 .]" 1
719 1 54 SER HB3 1 56 LEU H 6.000 . 6.000 4.079 3.115 5.481 . 0 0 "[ . 1 .]" 1
720 1 54 SER HB2 1 56 LEU H 6.000 . 6.000 4.586 2.879 5.976 . 0 0 "[ . 1 .]" 1
721 1 55 GLU HB2 1 56 LEU H 5.100 . 6.000 4.424 4.104 4.640 . 0 0 "[ . 1 .]" 1
722 1 55 GLU HG2 1 56 LEU H 5.400 . 6.000 4.783 4.068 5.745 . 0 0 "[ . 1 .]" 1
723 1 60 GLU H 1 61 ILE MD 6.000 . 6.000 4.650 4.268 4.985 . 0 0 "[ . 1 .]" 1
724 1 59 SER H 1 62 LYS H 3.900 . 5.800 5.124 4.826 5.365 . 0 0 "[ . 1 .]" 1
725 1 61 ILE MD 1 62 LYS H 3.200 . 6.000 4.599 4.327 4.813 . 0 0 "[ . 1 .]" 1
726 1 27 GLU HA 1 28 LEU H 6.000 . 6.000 3.559 3.535 3.583 . 0 0 "[ . 1 .]" 1
727 1 28 LEU H 1 31 MET HB2 5.600 . 6.000 5.589 4.461 6.005 0.005 5 0 "[ . 1 .]" 1
728 1 28 LEU H 1 28 LEU MD2 5.200 . 6.000 3.039 1.600 4.214 0.200 10 0 "[ . 1 .]" 1
729 1 57 MET H 1 58 GLU HA 6.000 . 6.000 4.995 4.659 5.560 . 0 0 "[ . 1 .]" 1
730 1 76 ILE MD 1 78 TYR H 5.400 . 6.000 5.654 3.818 6.030 0.030 6 0 "[ . 1 .]" 1
731 1 74 GLY H 1 75 THR HA 6.000 . 6.000 5.034 4.752 5.175 . 0 0 "[ . 1 .]" 1
732 1 73 SER HB2 1 74 GLY H 4.300 . 6.000 4.222 3.498 4.325 . 0 0 "[ . 1 .]" 1
733 1 41 THR H 1 45 LEU H 3.500 . 5.000 3.889 3.650 4.312 . 0 0 "[ . 1 .]" 1
734 1 78 TYR H 1 81 PHE H 5.800 . 6.000 5.008 4.703 5.506 . 0 0 "[ . 1 .]" 1
735 1 40 ILE MD 1 41 THR H 6.000 . 6.000 4.861 4.631 5.186 . 0 0 "[ . 1 .]" 1
736 1 40 ILE HG12 1 41 THR H 5.100 . 6.000 4.230 3.756 5.065 . 0 0 "[ . 1 .]" 1
737 1 40 ILE HG13 1 41 THR H 4.600 . 6.000 4.626 3.931 4.954 . 0 0 "[ . 1 .]" 1
738 1 41 THR H 1 75 THR MG 5.100 . 6.000 4.889 3.444 6.018 0.018 7 0 "[ . 1 .]" 1
739 1 43 ASP H 1 45 LEU MD2 6.000 . 6.000 5.667 5.365 5.890 . 0 0 "[ . 1 .]" 1
740 1 45 LEU H 1 47 ASP H 5.800 . 6.000 4.126 3.770 4.693 . 0 0 "[ . 1 .]" 1
741 1 42 PHE HB2 1 45 LEU H 6.000 . 6.000 5.320 5.123 5.603 . 0 0 "[ . 1 .]" 1
742 1 40 ILE HG12 1 45 LEU H 5.300 . 6.000 6.155 6.042 6.618 0.618 13 2 "[ . 1 + -]" 1
743 1 45 LEU H 1 46 LYS HG3 6.000 . 6.000 5.080 4.160 5.519 . 0 0 "[ . 1 .]" 1
744 1 41 THR MG 1 45 LEU H 4.300 . 6.000 5.142 3.987 5.595 . 0 0 "[ . 1 .]" 1
745 1 46 LYS H 1 61 ILE HA 6.000 . 6.000 6.001 5.875 6.074 0.074 15 0 "[ . 1 .]" 1
746 1 46 LYS H 1 65 MET QG 6.000 . 6.000 5.638 5.418 5.845 . 0 0 "[ . 1 .]" 1
747 1 47 ASP H 1 50 LYS QB 5.400 . 6.000 3.878 3.484 4.637 . 0 0 "[ . 1 .]" 1
748 1 47 ASP H 1 47 ASP HB3 3.600 . 5.200 2.922 2.525 3.603 . 0 0 "[ . 1 .]" 1
749 1 44 GLU HA 1 47 ASP H 3.700 . 5.400 3.547 3.421 3.709 . 0 0 "[ . 1 .]" 1
750 1 46 LYS HA 1 47 ASP H 5.000 . 6.000 3.522 3.435 3.574 . 0 0 "[ . 1 .]" 1
751 1 48 GLY H 1 51 ARG H 5.900 . 6.000 4.442 4.176 4.753 . 0 0 "[ . 1 .]" 1
752 1 48 GLY H 1 50 LYS HA 6.000 . 6.000 6.117 6.065 6.190 0.190 13 0 "[ . 1 .]" 1
753 1 46 LYS HG3 1 49 LEU H 3.900 . 6.000 5.957 5.608 6.634 0.634 15 2 "[ . - 1 +]" 1
754 1 49 LEU H 1 50 LYS HA 6.000 . 6.000 4.842 4.758 5.010 . 0 0 "[ . 1 .]" 1
755 1 47 ASP HB3 1 49 LEU H 6.000 . 6.000 5.791 5.343 6.445 0.445 9 0 "[ . 1 .]" 1
756 1 46 LYS H 1 50 LYS H 4.300 . 6.000 6.031 5.878 6.123 0.123 5 0 "[ . 1 .]" 1
757 1 48 GLY H 1 50 LYS H 4.900 . 6.000 3.337 3.283 3.407 . 0 0 "[ . 1 .]" 1
758 1 50 LYS H 1 52 VAL H 4.900 . 6.000 4.117 3.586 4.498 . 0 0 "[ . 1 .]" 1
759 1 46 LYS HA 1 50 LYS H 3.800 . 5.600 4.004 3.542 4.184 . 0 0 "[ . 1 .]" 1
760 1 47 ASP HB3 1 50 LYS H 6.000 . 6.000 5.431 5.090 6.022 0.022 9 0 "[ . 1 .]" 1
761 1 47 ASP HB2 1 50 LYS H 4.900 . 6.000 5.581 5.306 5.942 . 0 0 "[ . 1 .]" 1
762 1 50 LYS H 1 52 VAL MG2 4.400 . 6.000 4.780 3.968 6.788 0.788 6 2 "[ .+ 1 -.]" 1
763 1 49 LEU HA 1 50 LYS H 3.100 . 4.300 3.376 3.348 3.412 . 0 0 "[ . 1 .]" 1
764 1 27 GLU H 1 28 LEU HB2 5.600 . 6.000 4.940 4.532 6.407 0.407 12 0 "[ . 1 .]" 1
765 1 27 GLU H 1 30 LYS QG 5.600 . 6.000 4.930 4.542 5.543 . 0 0 "[ . 1 .]" 1
766 1 27 GLU H 1 28 LEU MD2 6.000 . 6.000 5.047 3.322 6.165 0.165 5 0 "[ . 1 .]" 1
767 1 28 LEU H 1 31 MET HB3 5.500 . 6.000 5.278 4.891 6.010 0.010 10 0 "[ . 1 .]" 1
768 1 29 PHE H 1 40 ILE MD 6.000 . 6.000 5.752 4.219 6.056 0.056 10 0 "[ . 1 .]" 1
769 1 71 ASP H 1 73 SER HA 6.000 . 6.000 5.578 5.366 6.269 0.269 4 0 "[ . 1 .]" 1
770 1 71 ASP H 1 80 GLU HB3 6.000 . 6.000 4.289 3.376 5.557 . 0 0 "[ . 1 .]" 1
771 1 30 LYS H 1 32 ILE H 5.800 . 6.000 4.047 3.803 4.308 . 0 0 "[ . 1 .]" 1
772 1 35 ASP H 1 41 THR H 6.000 . 6.000 5.864 5.522 6.034 0.034 9 0 "[ . 1 .]" 1
773 1 33 ASP HB2 1 35 ASP H 4.800 . 6.000 4.294 4.196 4.512 . 0 0 "[ . 1 .]" 1
774 1 29 PHE QD 1 31 MET H 6.000 . 6.000 5.666 5.332 5.959 . 0 0 "[ . 1 .]" 1
775 1 31 MET H 1 32 ILE HA 6.000 . 6.000 5.122 4.965 5.319 . 0 0 "[ . 1 .]" 1
776 1 32 ILE H 1 40 ILE MD 5.100 . 6.000 4.470 3.865 5.325 . 0 0 "[ . 1 .]" 1
777 1 28 LEU HA 1 32 ILE H 5.900 . 6.000 4.412 4.017 4.948 . 0 0 "[ . 1 .]" 1
778 1 29 PHE QE 1 33 ASP H 6.000 . 6.000 5.681 5.010 6.063 0.063 7 0 "[ . 1 .]" 1
779 1 33 ASP H 1 40 ILE HG13 5.700 . 6.000 4.033 3.594 4.532 . 0 0 "[ . 1 .]" 1
780 1 33 ASP H 1 40 ILE MD 4.300 . 6.000 3.192 2.546 3.796 . 0 0 "[ . 1 .]" 1
781 1 80 GLU H 1 81 PHE QD 6.000 . 6.000 5.860 3.440 6.104 0.104 7 0 "[ . 1 .]" 1
782 1 58 GLU H 1 60 GLU H 5.000 . 6.000 4.494 4.041 4.816 . 0 0 "[ . 1 .]" 1
783 1 42 PHE H 1 42 PHE QE 6.000 . 6.000 6.165 6.123 6.181 0.181 4 0 "[ . 1 .]" 1
784 1 42 PHE QE 1 62 LYS H 3.100 . 4.300 3.282 2.783 3.896 . 0 0 "[ . 1 .]" 1
785 1 42 PHE QE 1 63 ASP H 4.100 . 6.000 5.263 4.657 6.004 0.004 13 0 "[ . 1 .]" 1
786 1 40 ILE MD 1 76 ILE H 6.000 . 6.000 5.399 4.501 5.978 . 0 0 "[ . 1 .]" 1
787 1 38 GLY H 1 39 THR H 2.200 . 2.800 2.093 2.030 2.213 . 0 0 "[ . 1 .]" 1
788 1 35 ASP H 1 38 GLY H 4.700 . 6.000 5.275 5.021 5.514 . 0 0 "[ . 1 .]" 1
789 1 42 PHE QD 1 65 MET H 5.100 . 6.000 4.560 4.118 4.862 . 0 0 "[ . 1 .]" 1
790 1 71 ASP H 1 74 GLY H 6.000 . 6.000 5.950 5.219 6.065 0.065 6 0 "[ . 1 .]" 1
791 1 71 ASP H 1 77 ASP H 5.500 . 6.000 6.056 6.013 6.111 0.111 10 0 "[ . 1 .]" 1
792 1 50 LYS HD2 1 51 ARG H 5.400 . 6.000 4.947 3.454 6.021 0.021 2 0 "[ . 1 .]" 1
793 1 47 ASP H 1 51 ARG H 3.800 . 5.600 5.655 5.563 5.726 0.126 3 0 "[ . 1 .]" 1
794 1 45 LEU MD2 1 65 MET H 5.500 . 6.000 3.143 2.907 3.350 . 0 0 "[ . 1 .]" 1
795 1 63 ASP HB2 1 65 MET H 4.100 . 6.000 5.730 5.126 6.201 0.201 9 0 "[ . 1 .]" 1
796 1 62 LYS QD 1 65 MET H 3.600 . 6.000 5.047 4.750 5.520 . 0 0 "[ . 1 .]" 1
797 1 45 LEU HB3 1 65 MET H 6.000 . 6.000 6.026 5.974 6.079 0.079 3 0 "[ . 1 .]" 1
798 1 18 SER HB3 1 20 GLU H 5.100 . 6.000 4.426 2.657 6.010 0.010 3 0 "[ . 1 .]" 1
799 1 12 HIS HA 1 15 GLU H 5.700 . 6.000 3.425 2.958 3.883 . 0 0 "[ . 1 .]" 1
800 1 62 LYS HB2 1 66 ASP H 2.800 . 6.000 5.200 4.396 5.702 . 0 0 "[ . 1 .]" 1
801 1 72 LYS HG2 1 73 SER H 3.900 . 5.800 4.946 4.035 5.877 0.077 11 0 "[ . 1 .]" 1
802 1 45 LEU HG 1 48 GLY H 3.900 . 5.800 4.872 4.718 5.088 . 0 0 "[ . 1 .]" 1
803 1 50 LYS QB 1 53 GLY H 5.100 . 6.000 4.640 3.976 5.035 . 0 0 "[ . 1 .]" 1
804 1 20 GLU H 1 23 GLY H 2.300 . 6.000 5.065 4.258 6.046 0.046 5 0 "[ . 1 .]" 1
805 1 23 GLY H 1 78 TYR QE 3.700 . 6.000 5.228 3.217 6.046 0.046 4 0 "[ . 1 .]" 1
806 1 23 GLY H 1 78 TYR HB2 3.500 . 6.000 5.893 5.281 6.104 0.104 10 0 "[ . 1 .]" 1
807 1 23 GLY H 1 78 TYR HB3 4.200 . 6.000 5.318 4.749 6.094 0.094 12 0 "[ . 1 .]" 1
808 1 23 GLY H 1 23 GLY HA2 3.000 . 4.100 2.827 2.680 2.931 . 0 0 "[ . 1 .]" 1
809 1 23 GLY H 1 23 GLY HA3 2.200 . 2.800 2.322 2.288 2.370 . 0 0 "[ . 1 .]" 1
810 1 62 LYS QD 1 66 ASP H 2.900 . 6.000 4.666 4.446 4.865 . 0 0 "[ . 1 .]" 1
811 1 77 ASP HA 1 79 GLY H 5.800 . 6.000 4.220 3.898 4.598 . 0 0 "[ . 1 .]" 1
812 1 20 GLU HA 1 79 GLY H 3.700 . 6.000 5.493 2.705 6.075 0.075 5 0 "[ . 1 .]" 1
813 1 76 ILE QG 1 79 GLY H 6.000 . 6.000 5.513 5.235 5.812 . 0 0 "[ . 1 .]" 1
814 1 40 ILE H 1 41 THR H 6.000 . 6.000 4.500 4.385 4.542 . 0 0 "[ . 1 .]" 1
815 1 32 ILE MG 1 40 ILE H 6.000 . 6.000 5.907 5.567 6.079 0.079 3 0 "[ . 1 .]" 1
816 1 42 PHE H 1 44 GLU HG3 6.000 . 6.000 5.747 5.023 5.982 . 0 0 "[ . 1 .]" 1
817 1 42 PHE H 1 45 LEU HA 6.000 . 6.000 6.174 6.113 6.259 0.259 2 0 "[ . 1 .]" 1
818 1 42 PHE H 1 76 ILE H 4.000 . 6.000 5.052 4.528 5.689 . 0 0 "[ . 1 .]" 1
819 1 41 THR H 1 76 ILE H 6.000 . 6.000 4.889 4.566 5.096 . 0 0 "[ . 1 .]" 1
820 1 79 GLY H 1 81 PHE H 6.000 . 6.000 4.248 3.515 4.695 . 0 0 "[ . 1 .]" 1
821 1 30 LYS H 1 36 ASN HA 6.000 . 6.000 5.271 4.100 5.947 . 0 0 "[ . 1 .]" 1
822 1 31 MET HB3 1 32 ILE H 6.000 . 6.000 3.162 2.760 4.081 . 0 0 "[ . 1 .]" 1
823 1 38 GLY H 1 40 ILE HA 6.000 . 6.000 5.935 5.874 6.027 0.027 8 0 "[ . 1 .]" 1
824 1 36 ASN H 1 38 GLY HA2 6.000 . 6.000 5.880 5.791 6.042 0.042 14 0 "[ . 1 .]" 1
825 1 58 GLU H 1 58 GLU QB 2.600 . 3.500 2.391 2.231 2.545 . 0 0 "[ . 1 .]" 1
826 1 56 LEU QB 1 58 GLU H 5.700 . 6.000 4.860 4.031 5.592 . 0 0 "[ . 1 .]" 1
827 1 58 GLU H 1 61 ILE H 6.000 . 6.000 5.205 4.968 5.409 . 0 0 "[ . 1 .]" 1
828 1 28 LEU MD1 1 29 PHE H 3.800 . 5.600 4.043 2.773 4.677 . 0 0 "[ . 1 .]" 1
829 1 68 ALA MB 1 69 ASP H 2.600 . 3.400 2.498 2.069 3.244 . 0 0 "[ . 1 .]" 1
830 1 29 PHE QE 1 79 GLY H 4.100 . 6.000 5.530 4.789 6.062 0.062 5 0 "[ . 1 .]" 1
831 1 51 ARG H 1 51 ARG HD3 5.700 . 6.000 4.966 3.556 5.943 . 0 0 "[ . 1 .]" 1
832 1 42 PHE QE 1 59 SER H 6.000 . 6.000 5.972 5.825 6.058 0.058 3 0 "[ . 1 .]" 1
833 1 60 GLU H 1 64 LEU QB 5.800 . 6.000 5.728 5.586 5.934 . 0 0 "[ . 1 .]" 1
834 1 61 ILE H 1 62 LYS QG 3.400 . 4.900 3.778 3.507 4.194 . 0 0 "[ . 1 .]" 1
835 1 81 PHE HB3 1 82 ILE H 3.800 . 5.600 2.765 2.276 3.602 . 0 0 "[ . 1 .]" 1
836 1 81 PHE HB2 1 82 ILE H 6.000 . 6.000 3.877 2.604 4.205 . 0 0 "[ . 1 .]" 1
837 1 19 GLU H 1 19 GLU HA 2.900 . 4.000 2.862 2.751 2.901 . 0 0 "[ . 1 .]" 1
838 1 17 LEU HB2 1 19 GLU H 4.200 . 6.000 5.454 4.294 6.865 0.865 12 1 "[ . 1 + .]" 1
839 1 50 LYS HG2 1 51 ARG H 2.900 . 6.000 4.458 2.273 5.591 . 0 0 "[ . 1 .]" 1
840 1 81 PHE H 1 82 ILE HA 5.500 . 6.000 5.395 5.089 5.557 . 0 0 "[ . 1 .]" 1
841 1 76 ILE HA 1 81 PHE H 4.100 . 6.000 5.356 4.773 5.888 . 0 0 "[ . 1 .]" 1
842 1 77 ASP H 1 78 TYR H 6.000 . 6.000 4.471 4.417 4.516 . 0 0 "[ . 1 .]" 1
843 1 77 ASP H 1 81 PHE H 5.100 . 6.000 3.840 3.256 4.570 . 0 0 "[ . 1 .]" 1
844 1 80 GLU HA 1 83 ALA H 5.000 . 6.000 3.422 3.049 3.981 . 0 0 "[ . 1 .]" 1
845 1 81 PHE H 1 83 ALA H 5.700 . 6.000 4.280 3.656 5.243 . 0 0 "[ . 1 .]" 1
846 1 6 ILE MD 1 7 ASP H 2.200 . 6.000 4.563 1.441 5.673 . 0 0 "[ . 1 .]" 1
847 1 7 ASP H 1 11 LYS QG 4.000 . 6.000 4.379 2.961 5.815 . 0 0 "[ . 1 .]" 1
848 1 7 ASP H 1 12 HIS QB 5.600 . 6.000 5.301 3.481 5.859 . 0 0 "[ . 1 .]" 1
849 1 10 ASP HB2 1 12 HIS H 2.900 . 6.000 5.203 4.039 5.560 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 17.816
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0312
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0198
_Distance_constraint_stats_list.Viol_average_violations_only 0.0540
_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 40 ILE 1.188 0.098 5 0 "[ . 1 .]"
1 76 ILE 1.188 0.098 5 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 40 ILE O 1 76 ILE H 1.950 . 2.300 1.922 1.758 2.112 . 0 0 "[ . 1 .]" 2
2 1 40 ILE O 1 76 ILE N 2.900 2.500 3.300 2.803 2.676 2.964 . 0 0 "[ . 1 .]" 2
3 1 40 ILE H 1 76 ILE O 1.950 . 2.300 2.368 2.320 2.398 0.098 5 0 "[ . 1 .]" 2
4 1 40 ILE N 1 76 ILE O 2.900 2.500 3.300 3.298 3.253 3.337 0.037 13 0 "[ . 1 .]" 2
stop_
save_
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