NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374507 |
1ef4   |
4571 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ef4
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 780
_Distance_constraint_stats_list.Viol_count 1648
_Distance_constraint_stats_list.Viol_total 2274.760
_Distance_constraint_stats_list.Viol_max 0.989
_Distance_constraint_stats_list.Viol_rms 0.0446
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0690
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 2.617 0.789 8 2 "[ . -+ 1 . 2]"
1 2 ILE 4.362 0.337 4 0 "[ . 1 . 2]"
1 3 PRO 5.679 0.256 8 0 "[ . 1 . 2]"
1 4 VAL 6.620 0.232 10 0 "[ . 1 . 2]"
1 5 ARG 4.587 0.771 3 1 "[ + . 1 . 2]"
1 6 CYS 8.102 0.960 3 1 "[ + . 1 . 2]"
1 7 LEU 12.847 0.337 4 0 "[ . 1 . 2]"
1 8 SER 2.107 0.318 7 0 "[ . 1 . 2]"
1 9 CYS 3.751 0.463 6 0 "[ . 1 . 2]"
1 10 GLY 1.701 0.305 2 0 "[ . 1 . 2]"
1 11 LYS 15.166 0.989 11 12 "[ *.** *+ -******2]"
1 12 PRO 4.088 0.661 10 3 "[ . + - * 2]"
1 13 VAL 7.318 0.686 7 1 "[ . + 1 . 2]"
1 14 SER 0.194 0.045 5 0 "[ . 1 . 2]"
1 15 ALA 0.036 0.016 12 0 "[ . 1 . 2]"
1 16 TYR 3.128 0.120 8 0 "[ . 1 . 2]"
1 17 PHE 1.471 0.104 11 0 "[ . 1 . 2]"
1 18 ASN 1.629 0.193 15 0 "[ . 1 . 2]"
1 19 GLU 2.280 0.686 7 1 "[ . + 1 . 2]"
1 20 TYR 4.250 0.325 10 0 "[ . 1 . 2]"
1 21 GLN 4.783 0.686 7 1 "[ . + 1 . 2]"
1 22 ARG 3.712 0.400 8 0 "[ . 1 . 2]"
1 23 ARG 9.482 0.956 10 1 "[ . + . 2]"
1 24 VAL 0.671 0.049 6 0 "[ . 1 . 2]"
1 25 ALA 0.700 0.494 2 0 "[ . 1 . 2]"
1 26 ASP 8.926 0.810 11 9 "[*** * ** 1+ . **2]"
1 27 GLY 1.786 0.550 11 1 "[ . 1+ . 2]"
1 28 GLU 3.020 0.956 10 1 "[ . + . 2]"
1 29 ASP 0.343 0.052 10 0 "[ . 1 . 2]"
1 30 PRO 2.317 0.071 19 0 "[ . 1 . 2]"
1 31 LYS 2.049 0.091 12 0 "[ . 1 . 2]"
1 32 ASP 1.012 0.119 7 0 "[ . 1 . 2]"
1 33 VAL 7.382 0.816 10 1 "[ . + . 2]"
1 34 LEU 8.453 0.339 12 0 "[ . 1 . 2]"
1 35 ASP 1.428 0.088 7 0 "[ . 1 . 2]"
1 36 ASP 0.965 0.119 7 0 "[ . 1 . 2]"
1 37 LEU 6.854 0.302 6 0 "[ . 1 . 2]"
1 38 GLY 2.327 0.302 6 0 "[ . 1 . 2]"
1 39 LEU 6.525 0.339 12 0 "[ . 1 . 2]"
1 40 LYS 8.162 0.753 11 4 "[ . *+- . *2]"
1 41 ARG 0.933 0.107 12 0 "[ . 1 . 2]"
1 42 TYR 1.245 0.187 2 0 "[ . 1 . 2]"
1 43 CYS 1.498 0.187 2 0 "[ . 1 . 2]"
1 44 CYS 5.598 0.203 11 0 "[ . 1 . 2]"
1 45 ARG 2.159 0.325 10 0 "[ . 1 . 2]"
1 46 ARG 0.909 0.083 11 0 "[ . 1 . 2]"
1 47 MET 2.659 0.305 2 0 "[ . 1 . 2]"
1 48 LEU 3.107 0.133 10 0 "[ . 1 . 2]"
1 49 ILE 3.737 0.325 10 0 "[ . 1 . 2]"
1 50 SER 0.552 0.054 5 0 "[ . 1 . 2]"
1 51 HIS 0.701 0.305 2 0 "[ . 1 . 2]"
1 52 VAL 4.346 0.226 15 0 "[ . 1 . 2]"
1 53 GLU 2.032 0.260 19 0 "[ . 1 . 2]"
1 54 THR 1.076 0.395 20 0 "[ . 1 . 2]"
1 55 TRP 0.007 0.007 2 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 7 LEU H 1 8 SER H 2.600 . 3.400 2.444 2.106 2.634 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER H 1 9 CYS H 2.400 . 3.100 2.632 2.143 2.915 . 0 0 "[ . 1 . 2]" 1
3 1 9 CYS H 1 10 GLY H 2.400 . 3.100 2.659 2.498 2.848 . 0 0 "[ . 1 . 2]" 1
4 1 10 GLY H 1 11 LYS H 2.800 . 3.800 2.318 2.194 2.449 . 0 0 "[ . 1 . 2]" 1
5 1 13 VAL H 1 14 SER H 3.500 . 5.000 2.074 1.956 2.471 0.044 7 0 "[ . 1 . 2]" 1
6 1 16 TYR H 1 16 TYR QD 2.600 . 3.400 3.030 2.709 3.168 . 0 0 "[ . 1 . 2]" 1
7 1 16 TYR H 1 17 PHE H 2.500 . 3.300 2.346 2.285 2.713 . 0 0 "[ . 1 . 2]" 1
8 1 17 PHE H 1 17 PHE QD 3.700 . 5.400 2.709 2.538 2.971 . 0 0 "[ . 1 . 2]" 1
9 1 18 ASN H 1 19 GLU H 3.700 . 5.400 2.636 2.570 2.714 . 0 0 "[ . 1 . 2]" 1
10 1 49 ILE H 1 50 SER H 2.500 . 3.300 2.938 2.853 3.017 . 0 0 "[ . 1 . 2]" 1
11 1 19 GLU H 1 20 TYR H 2.600 . 3.400 2.716 2.609 2.817 . 0 0 "[ . 1 . 2]" 1
12 1 20 TYR H 1 21 GLN H 2.800 . 3.800 2.778 2.689 2.828 . 0 0 "[ . 1 . 2]" 1
13 1 21 GLN H 1 22 ARG H 3.200 . 4.500 2.878 2.636 3.094 . 0 0 "[ . 1 . 2]" 1
14 1 22 ARG H 1 23 ARG H 2.400 . 3.100 2.891 2.778 3.063 . 0 0 "[ . 1 . 2]" 1
15 1 23 ARG H 1 24 VAL H 2.700 . 3.600 2.962 2.875 3.059 . 0 0 "[ . 1 . 2]" 1
16 1 25 ALA H 1 26 ASP H 2.700 . 3.600 2.803 2.507 2.956 . 0 0 "[ . 1 . 2]" 1
17 1 24 VAL H 1 25 ALA H 2.900 . 4.000 2.797 2.696 2.833 . 0 0 "[ . 1 . 2]" 1
18 1 26 ASP H 1 27 GLY H 2.500 . 3.300 2.571 2.318 2.805 . 0 0 "[ . 1 . 2]" 1
19 1 31 LYS H 1 32 ASP H 2.300 . 3.000 2.810 2.754 2.901 . 0 0 "[ . 1 . 2]" 1
20 1 32 ASP H 1 33 VAL H 2.300 . 3.000 2.532 2.479 2.599 . 0 0 "[ . 1 . 2]" 1
21 1 33 VAL H 1 34 LEU H 2.600 . 3.400 2.712 2.643 2.766 . 0 0 "[ . 1 . 2]" 1
22 1 34 LEU H 1 35 ASP H 2.700 . 3.600 2.819 2.755 2.889 . 0 0 "[ . 1 . 2]" 1
23 1 35 ASP H 1 36 ASP H 2.600 . 3.400 2.590 2.536 2.640 . 0 0 "[ . 1 . 2]" 1
24 1 36 ASP H 1 37 LEU H 2.300 . 3.000 2.386 2.328 2.468 . 0 0 "[ . 1 . 2]" 1
25 1 37 LEU H 1 38 GLY H 2.700 . 3.600 2.892 2.754 3.064 . 0 0 "[ . 1 . 2]" 1
26 1 38 GLY H 1 39 LEU H 2.800 . 3.800 2.591 2.163 3.123 . 0 0 "[ . 1 . 2]" 1
27 1 43 CYS H 1 44 CYS H 2.800 . 3.800 2.719 2.151 2.882 . 0 0 "[ . 1 . 2]" 1
28 1 44 CYS H 1 45 ARG H 2.800 . 3.800 2.489 2.349 2.610 . 0 0 "[ . 1 . 2]" 1
29 1 46 ARG H 1 47 MET H 2.700 . 3.600 2.965 2.858 3.058 . 0 0 "[ . 1 . 2]" 1
30 1 45 ARG H 1 46 ARG H 2.600 . 3.400 3.064 2.988 3.107 . 0 0 "[ . 1 . 2]" 1
31 1 48 LEU H 1 49 ILE H 2.600 . 3.400 2.834 2.693 3.003 . 0 0 "[ . 1 . 2]" 1
32 1 47 MET H 1 48 LEU H 2.900 . 4.000 2.312 2.230 2.445 . 0 0 "[ . 1 . 2]" 1
33 1 50 SER H 1 51 HIS H 2.900 . 4.000 2.836 2.520 2.997 . 0 0 "[ . 1 . 2]" 1
34 1 52 VAL H 1 53 GLU H 3.100 . 4.300 3.416 2.820 4.362 0.062 3 0 "[ . 1 . 2]" 1
35 1 4 VAL H 1 5 ARG H 3.100 . 4.300 3.877 1.947 4.414 0.114 6 0 "[ . 1 . 2]" 1
36 1 55 TRP H 1 55 TRP QB 2.500 . 3.300 2.631 2.067 3.307 0.007 2 0 "[ . 1 . 2]" 1
37 1 55 TRP H 1 55 TRP HA 2.900 . 4.000 2.736 2.272 2.948 . 0 0 "[ . 1 . 2]" 1
38 1 54 THR H 1 54 THR MG 2.700 . 3.600 2.973 2.352 3.570 . 0 0 "[ . 1 . 2]" 1
39 1 53 GLU QB 1 54 THR H 3.100 . 4.300 3.301 1.966 3.937 . 0 0 "[ . 1 . 2]" 1
40 1 53 GLU HA 1 54 THR H 2.700 . 3.600 2.623 2.135 3.567 . 0 0 "[ . 1 . 2]" 1
41 1 53 GLU H 1 53 GLU HG3 3.100 . 4.300 3.757 2.674 4.297 . 0 0 "[ . 1 . 2]" 1
42 1 53 GLU H 1 53 GLU HB2 2.500 . 3.300 2.517 2.071 3.297 . 0 0 "[ . 1 . 2]" 1
43 1 52 VAL QG 1 53 GLU H 3.000 . 4.100 3.261 2.383 3.539 . 0 0 "[ . 1 . 2]" 1
44 1 51 HIS HA 1 52 VAL H 2.600 . 4.500 3.560 3.535 3.577 . 0 0 "[ . 1 . 2]" 1
45 1 52 VAL H 1 52 VAL HA 2.700 . 3.600 2.327 2.245 2.692 . 0 0 "[ . 1 . 2]" 1
46 1 52 VAL H 1 52 VAL HB 2.700 . 3.600 2.859 2.110 3.085 . 0 0 "[ . 1 . 2]" 1
47 1 52 VAL H 1 52 VAL QG 2.300 . 3.000 3.072 2.918 3.226 0.226 15 0 "[ . 1 . 2]" 1
48 1 51 HIS H 1 51 HIS QB 3.000 . 4.000 2.337 2.162 2.874 . 0 0 "[ . 1 . 2]" 1
49 1 50 SER H 1 50 SER HA 2.700 . 3.600 2.887 2.867 2.907 . 0 0 "[ . 1 . 2]" 1
50 1 50 SER H 1 50 SER QB 2.400 . 3.100 2.260 2.087 2.800 . 0 0 "[ . 1 . 2]" 1
51 1 49 ILE HA 1 50 SER H 2.800 . 3.800 3.488 3.476 3.506 . 0 0 "[ . 1 . 2]" 1
52 1 49 ILE HB 1 50 SER H 2.700 . 3.600 3.628 3.599 3.654 0.054 5 0 "[ . 1 . 2]" 1
53 1 49 ILE MG 1 50 SER H 3.300 . 4.700 4.194 4.106 4.249 . 0 0 "[ . 1 . 2]" 1
54 1 20 TYR H 1 20 TYR HA 2.400 . 3.100 2.785 2.769 2.814 . 0 0 "[ . 1 . 2]" 1
55 1 49 ILE H 1 49 ILE HA 2.800 . 3.800 2.700 2.674 2.728 . 0 0 "[ . 1 . 2]" 1
56 1 20 TYR H 1 20 TYR HB3 2.600 . 3.400 2.399 2.335 2.451 . 0 0 "[ . 1 . 2]" 1
57 1 20 TYR H 1 20 TYR HB2 2.600 . 3.400 2.640 2.590 2.702 . 0 0 "[ . 1 . 2]" 1
58 1 48 LEU HG 1 49 ILE H 2.900 . 4.000 4.057 4.002 4.115 0.115 7 0 "[ . 1 . 2]" 1
59 1 48 LEU H 1 48 LEU HA 2.800 . 3.800 2.855 2.784 2.892 . 0 0 "[ . 1 . 2]" 1
60 1 47 MET QB 1 48 LEU H 2.900 . 3.800 2.711 2.450 2.849 . 0 0 "[ . 1 . 2]" 1
61 1 48 LEU H 1 48 LEU HG 2.300 . 3.000 2.109 1.935 2.211 . 0 0 "[ . 1 . 2]" 1
62 1 48 LEU H 1 48 LEU HB2 2.700 . 3.600 2.605 2.556 2.655 . 0 0 "[ . 1 . 2]" 1
63 1 47 MET H 1 47 MET HA 3.000 . 4.100 2.892 2.861 2.912 . 0 0 "[ . 1 . 2]" 1
64 1 43 CYS H 1 43 CYS HA 2.300 . 3.000 2.758 2.702 2.909 . 0 0 "[ . 1 . 2]" 1
65 1 43 CYS H 1 43 CYS HB3 2.600 . 3.400 2.544 2.333 2.884 . 0 0 "[ . 1 . 2]" 1
66 1 47 MET H 1 47 MET QB 2.400 . 3.100 2.359 2.113 2.587 . 0 0 "[ . 1 . 2]" 1
67 1 46 ARG H 1 46 ARG QG 2.000 . 2.500 2.383 2.172 2.489 . 0 0 "[ . 1 . 2]" 1
68 1 46 ARG H 1 46 ARG HB3 2.000 . 2.500 2.466 2.377 2.583 0.083 11 0 "[ . 1 . 2]" 1
69 1 44 CYS HB2 1 45 ARG H 2.500 . 3.300 2.234 2.093 2.447 . 0 0 "[ . 1 . 2]" 1
70 1 45 ARG H 1 45 ARG HB3 2.500 . 4.500 3.579 3.560 3.615 . 0 0 "[ . 1 . 2]" 1
71 1 45 ARG H 1 45 ARG QG 2.100 . 2.700 1.961 1.862 2.746 0.046 12 0 "[ . 1 . 2]" 1
72 1 44 CYS H 1 44 CYS QB 2.200 . 2.800 2.727 2.598 2.803 0.003 3 0 "[ . 1 . 2]" 1
73 1 41 ARG HB2 1 44 CYS H 2.900 . 4.000 3.830 3.262 4.041 0.041 12 0 "[ . 1 . 2]" 1
74 1 41 ARG H 1 41 ARG HA 2.600 . 3.400 2.520 2.264 2.936 . 0 0 "[ . 1 . 2]" 1
75 1 41 ARG H 1 41 ARG HB3 3.300 . 4.700 3.863 3.539 4.144 . 0 0 "[ . 1 . 2]" 1
76 1 41 ARG H 1 41 ARG HB2 2.800 . 3.800 3.060 2.258 3.748 . 0 0 "[ . 1 . 2]" 1
77 1 41 ARG H 1 41 ARG QG 2.600 . 3.400 2.722 2.109 3.428 0.028 5 0 "[ . 1 . 2]" 1
78 1 39 LEU H 1 39 LEU HA 2.800 . 3.800 2.914 2.678 2.948 . 0 0 "[ . 1 . 2]" 1
79 1 38 GLY HA3 1 39 LEU H 3.100 . 4.300 3.479 2.693 3.571 . 0 0 "[ . 1 . 2]" 1
80 1 37 LEU HB2 1 39 LEU H 3.100 . 4.300 3.796 3.495 4.054 . 0 0 "[ . 1 . 2]" 1
81 1 39 LEU H 1 39 LEU HB2 2.800 . 3.800 2.993 2.581 3.524 . 0 0 "[ . 1 . 2]" 1
82 1 39 LEU H 1 39 LEU HG 2.300 . 3.000 2.839 1.882 3.029 0.029 10 0 "[ . 1 . 2]" 1
83 1 27 GLY H 1 27 GLY HA2 2.700 . 3.600 2.496 2.420 2.707 . 0 0 "[ . 1 . 2]" 1
84 1 38 GLY H 1 38 GLY HA2 2.500 . 3.300 2.354 2.281 2.488 . 0 0 "[ . 1 . 2]" 1
85 1 37 LEU H 1 37 LEU HG 2.400 . 3.100 2.851 2.741 3.051 . 0 0 "[ . 1 . 2]" 1
86 1 37 LEU H 1 37 LEU HB2 2.400 . 3.100 2.289 2.230 2.322 . 0 0 "[ . 1 . 2]" 1
87 1 37 LEU H 1 37 LEU HB3 2.800 . 3.800 3.540 3.512 3.556 . 0 0 "[ . 1 . 2]" 1
88 1 36 ASP HB2 1 37 LEU H 2.700 . 3.600 2.966 2.633 3.163 . 0 0 "[ . 1 . 2]" 1
89 1 37 LEU H 1 37 LEU HA 2.700 . 3.600 2.740 2.723 2.755 . 0 0 "[ . 1 . 2]" 1
90 1 34 LEU HA 1 37 LEU H 3.400 . 4.800 3.100 2.972 3.230 . 0 0 "[ . 1 . 2]" 1
91 1 36 ASP H 1 36 ASP HA 2.800 . 3.800 2.894 2.879 2.904 . 0 0 "[ . 1 . 2]" 1
92 1 33 VAL HA 1 36 ASP H 3.100 . 4.300 3.153 3.074 3.237 . 0 0 "[ . 1 . 2]" 1
93 1 36 ASP H 1 36 ASP HB2 2.000 . 2.500 2.154 2.110 2.300 . 0 0 "[ . 1 . 2]" 1
94 1 35 ASP H 1 35 ASP HA 2.900 . 4.000 2.804 2.788 2.828 . 0 0 "[ . 1 . 2]" 1
95 1 35 ASP H 1 35 ASP HB3 2.300 . 3.000 2.878 2.687 2.958 . 0 0 "[ . 1 . 2]" 1
96 1 35 ASP H 1 35 ASP HB2 2.500 . 3.300 2.244 2.188 2.386 . 0 0 "[ . 1 . 2]" 1
97 1 34 LEU HB2 1 35 ASP H 2.500 . 3.300 2.716 2.601 2.824 . 0 0 "[ . 1 . 2]" 1
98 1 34 LEU HB3 1 35 ASP H 2.700 . 3.600 3.368 3.230 3.499 . 0 0 "[ . 1 . 2]" 1
99 1 34 LEU HA 1 35 ASP H 3.300 . 4.700 3.527 3.504 3.552 . 0 0 "[ . 1 . 2]" 1
100 1 33 VAL HB 1 34 LEU H 2.100 . 2.700 2.511 2.438 2.561 . 0 0 "[ . 1 . 2]" 1
101 1 34 LEU H 1 34 LEU HB3 2.700 . 3.600 3.557 3.541 3.568 . 0 0 "[ . 1 . 2]" 1
102 1 34 LEU H 1 34 LEU MD2 3.100 . 4.300 2.002 1.961 2.047 . 0 0 "[ . 1 . 2]" 1
103 1 33 VAL H 1 33 VAL MG2 2.300 . 3.000 2.078 1.997 2.144 . 0 0 "[ . 1 . 2]" 1
104 1 33 VAL H 1 33 VAL HB 2.300 . 3.000 2.616 2.590 2.691 . 0 0 "[ . 1 . 2]" 1
105 1 33 VAL H 1 33 VAL HA 2.700 . 3.600 2.799 2.779 2.816 . 0 0 "[ . 1 . 2]" 1
106 1 30 PRO HA 1 33 VAL H 2.900 . 4.000 3.027 2.933 3.096 . 0 0 "[ . 1 . 2]" 1
107 1 32 ASP HB3 1 33 VAL H 2.500 . 3.300 2.811 2.644 3.054 . 0 0 "[ . 1 . 2]" 1
108 1 32 ASP HB2 1 33 VAL H 2.500 . 3.300 3.236 3.060 3.312 0.012 6 0 "[ . 1 . 2]" 1
109 1 32 ASP H 1 33 VAL MG2 2.600 . 4.500 3.874 3.789 3.951 . 0 0 "[ . 1 . 2]" 1
110 1 31 LYS HB2 1 32 ASP H 2.600 . 3.400 3.138 3.015 3.253 . 0 0 "[ . 1 . 2]" 1
111 1 29 ASP QB 1 32 ASP H 2.100 . 2.700 2.561 2.432 2.724 0.024 7 0 "[ . 1 . 2]" 1
112 1 32 ASP H 1 32 ASP HA 2.900 . 4.000 2.841 2.824 2.853 . 0 0 "[ . 1 . 2]" 1
113 1 30 PRO HB2 1 31 LYS H 2.300 . 3.000 2.579 2.501 2.683 . 0 0 "[ . 1 . 2]" 1
114 1 31 LYS H 1 31 LYS HB2 2.100 . 2.700 2.078 2.072 2.084 . 0 0 "[ . 1 . 2]" 1
115 1 31 LYS H 1 31 LYS QG 3.100 . 4.300 3.341 3.232 3.453 . 0 0 "[ . 1 . 2]" 1
116 1 29 ASP H 1 33 VAL MG2 3.300 . 4.700 4.712 4.660 4.752 0.052 10 0 "[ . 1 . 2]" 1
117 1 28 GLU HB3 1 29 ASP H 2.500 . 3.300 2.750 2.437 3.137 . 0 0 "[ . 1 . 2]" 1
118 1 28 GLU HB2 1 29 ASP H 3.100 . 4.300 3.781 3.320 4.090 . 0 0 "[ . 1 . 2]" 1
119 1 29 ASP H 1 29 ASP QB 2.400 . 3.100 2.246 2.039 2.772 . 0 0 "[ . 1 . 2]" 1
120 1 28 GLU HA 1 29 ASP H 2.200 . 2.800 2.289 2.166 2.433 . 0 0 "[ . 1 . 2]" 1
121 1 28 GLU H 1 28 GLU HB2 2.400 . 3.100 2.530 2.410 2.689 . 0 0 "[ . 1 . 2]" 1
122 1 28 GLU H 1 28 GLU QG 2.600 . 3.400 2.639 2.228 3.260 . 0 0 "[ . 1 . 2]" 1
123 1 28 GLU H 1 28 GLU HA 2.500 . 3.300 2.905 2.878 2.921 . 0 0 "[ . 1 . 2]" 1
124 1 24 VAL HA 1 28 GLU H 2.400 . 3.100 3.071 2.847 3.126 0.026 18 0 "[ . 1 . 2]" 1
125 1 27 GLY HA3 1 28 GLU H 3.400 . 4.800 3.503 3.459 3.543 . 0 0 "[ . 1 . 2]" 1
126 1 25 ALA MB 1 26 ASP H 2.500 . 3.300 2.356 2.061 2.704 . 0 0 "[ . 1 . 2]" 1
127 1 26 ASP H 1 26 ASP HB3 2.200 . 2.800 3.099 2.537 3.610 0.810 11 9 "[*** - ** 1+ . **2]" 1
128 1 25 ALA HA 1 26 ASP H 2.900 . 4.000 3.564 3.517 3.576 . 0 0 "[ . 1 . 2]" 1
129 1 23 ARG HA 1 26 ASP H 2.800 . 3.800 3.646 3.277 3.835 0.035 10 0 "[ . 1 . 2]" 1
130 1 25 ALA H 1 25 ALA MB 2.200 . 2.800 2.172 2.042 2.235 . 0 0 "[ . 1 . 2]" 1
131 1 24 VAL MG1 1 25 ALA H 3.000 . 4.100 3.720 3.571 3.896 . 0 0 "[ . 1 . 2]" 1
132 1 24 VAL MG2 1 25 ALA H 3.400 . 4.800 3.905 3.833 3.949 . 0 0 "[ . 1 . 2]" 1
133 1 25 ALA H 1 25 ALA HA 2.700 . 3.600 2.811 2.774 2.854 . 0 0 "[ . 1 . 2]" 1
134 1 22 ARG HA 1 25 ALA H 3.000 . 4.100 3.815 3.634 3.944 . 0 0 "[ . 1 . 2]" 1
135 1 24 VAL H 1 24 VAL MG2 2.300 . 3.000 2.103 1.970 2.168 . 0 0 "[ . 1 . 2]" 1
136 1 24 VAL H 1 30 PRO HG3 2.600 . 4.500 4.486 4.408 4.535 0.035 17 0 "[ . 1 . 2]" 1
137 1 24 VAL H 1 24 VAL HB 2.100 . 2.700 2.656 2.614 2.705 0.005 10 0 "[ . 1 . 2]" 1
138 1 24 VAL H 1 25 ALA MB 2.300 . 4.500 4.423 4.322 4.492 . 0 0 "[ . 1 . 2]" 1
139 1 24 VAL H 1 24 VAL HA 2.300 . 3.000 2.746 2.733 2.781 . 0 0 "[ . 1 . 2]" 1
140 1 23 ARG H 1 25 ALA MB 2.200 . 4.500 4.354 4.237 4.503 0.003 18 0 "[ . 1 . 2]" 1
141 1 22 ARG QB 1 23 ARG H 1.900 . 2.400 2.371 2.340 2.405 0.005 20 0 "[ . 1 . 2]" 1
142 1 23 ARG H 1 23 ARG HG3 2.000 . 4.500 4.038 3.285 4.262 . 0 0 "[ . 1 . 2]" 1
143 1 21 GLN H 1 21 GLN QB 2.200 . 2.800 2.242 2.221 2.250 . 0 0 "[ . 1 . 2]" 1
144 1 20 TYR HA 1 21 GLN H 5.500 . 5.500 3.541 3.535 3.547 . 0 0 "[ . 1 . 2]" 1
145 1 21 GLN H 1 21 GLN HA 2.800 . 3.800 2.793 2.769 2.818 . 0 0 "[ . 1 . 2]" 1
146 1 20 TYR HB3 1 21 GLN H 2.700 . 3.600 2.474 2.444 2.505 . 0 0 "[ . 1 . 2]" 1
147 1 20 TYR HB2 1 21 GLN H 2.800 . 3.800 3.856 3.836 3.878 0.078 12 0 "[ . 1 . 2]" 1
148 1 19 GLU H 1 19 GLU QB 2.300 . 3.000 2.137 2.099 2.230 . 0 0 "[ . 1 . 2]" 1
149 1 18 ASN QB 1 19 GLU H 2.500 . 3.300 2.698 2.509 2.812 . 0 0 "[ . 1 . 2]" 1
150 1 19 GLU H 1 19 GLU HA 2.700 . 3.600 2.814 2.781 2.849 . 0 0 "[ . 1 . 2]" 1
151 1 17 PHE QB 1 18 ASN H 3.200 . 4.500 2.888 2.803 2.951 . 0 0 "[ . 1 . 2]" 1
152 1 18 ASN H 1 18 ASN HB3 2.600 . 3.400 3.342 2.884 3.593 0.193 15 0 "[ . 1 . 2]" 1
153 1 14 SER HB2 1 17 PHE H 4.000 . 5.500 5.185 5.071 5.535 0.035 8 0 "[ . 1 . 2]" 1
154 1 17 PHE H 1 17 PHE HB2 2.200 . 2.800 2.272 2.229 2.332 . 0 0 "[ . 1 . 2]" 1
155 1 16 TYR HB2 1 17 PHE H 2.400 . 3.100 3.134 3.048 3.174 0.074 17 0 "[ . 1 . 2]" 1
156 1 17 PHE H 1 17 PHE HA 2.800 . 3.800 2.740 2.711 2.764 . 0 0 "[ . 1 . 2]" 1
157 1 15 ALA MB 1 16 TYR H 2.700 . 3.600 2.773 2.066 2.948 . 0 0 "[ . 1 . 2]" 1
158 1 16 TYR H 1 16 TYR HB3 2.600 . 3.400 3.474 3.463 3.520 0.120 8 0 "[ . 1 . 2]" 1
159 1 16 TYR H 1 16 TYR HB2 2.600 . 3.400 2.186 2.168 2.281 . 0 0 "[ . 1 . 2]" 1
160 1 16 TYR H 1 16 TYR HA 2.600 . 3.400 2.885 2.756 2.897 . 0 0 "[ . 1 . 2]" 1
161 1 14 SER H 1 14 SER HB3 3.600 . 5.200 3.537 3.498 3.604 . 0 0 "[ . 1 . 2]" 1
162 1 14 SER H 1 14 SER HB2 4.000 . 5.500 2.847 2.552 2.957 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL H 1 13 VAL MG1 2.700 . 3.600 2.420 2.212 2.706 . 0 0 "[ . 1 . 2]" 1
164 1 13 VAL H 1 13 VAL MG2 2.600 . 3.400 2.200 2.095 2.425 . 0 0 "[ . 1 . 2]" 1
165 1 12 PRO HA 1 13 VAL H 2.100 . 2.700 2.163 2.144 2.178 . 0 0 "[ . 1 . 2]" 1
166 1 11 LYS H 1 11 LYS HB2 2.100 . 2.700 2.476 2.329 2.694 . 0 0 "[ . 1 . 2]" 1
167 1 11 LYS H 1 11 LYS QD 3.000 . 4.100 3.231 2.805 3.686 . 0 0 "[ . 1 . 2]" 1
168 1 10 GLY HA2 1 11 LYS H 3.000 . 4.100 3.462 3.367 3.540 . 0 0 "[ . 1 . 2]" 1
169 1 9 CYS HB2 1 11 LYS H 2.400 . 4.500 4.433 3.820 4.963 0.463 6 0 "[ . 1 . 2]" 1
170 1 11 LYS H 1 11 LYS HA 3.000 . 4.100 2.940 2.928 2.946 . 0 0 "[ . 1 . 2]" 1
171 1 10 GLY HA3 1 11 LYS H 3.300 . 4.700 3.007 2.818 3.222 . 0 0 "[ . 1 . 2]" 1
172 1 9 CYS HB2 1 10 GLY H 2.600 . 4.500 4.154 3.988 4.253 . 0 0 "[ . 1 . 2]" 1
173 1 10 GLY H 1 10 GLY HA2 2.200 . 2.800 2.545 2.461 2.706 . 0 0 "[ . 1 . 2]" 1
174 1 10 GLY H 1 10 GLY HA3 2.500 . 3.300 2.944 2.886 2.956 . 0 0 "[ . 1 . 2]" 1
175 1 8 SER HB3 1 9 CYS H 2.400 . 3.100 2.636 1.934 3.418 0.318 7 0 "[ . 1 . 2]" 1
176 1 9 CYS H 1 9 CYS HB2 2.800 . 4.500 3.196 3.103 3.374 . 0 0 "[ . 1 . 2]" 1
177 1 9 CYS H 1 9 CYS HB3 2.900 . 4.000 4.033 3.984 4.077 0.077 2 0 "[ . 1 . 2]" 1
178 1 7 LEU HB3 1 8 SER H 2.700 . 4.500 4.420 4.323 4.487 . 0 0 "[ . 1 . 2]" 1
179 1 7 LEU HA 1 8 SER H 2.700 . 3.600 2.795 2.690 2.989 . 0 0 "[ . 1 . 2]" 1
180 1 8 SER H 1 8 SER QB 2.400 . 3.100 2.967 2.833 3.245 0.145 7 0 "[ . 1 . 2]" 1
181 1 8 SER H 1 8 SER HA 2.900 . 4.000 2.806 2.733 2.857 . 0 0 "[ . 1 . 2]" 1
182 1 7 LEU HB2 1 8 SER H 3.000 . 4.100 4.156 3.991 4.224 0.124 1 0 "[ . 1 . 2]" 1
183 1 7 LEU H 1 7 LEU HB3 2.200 . 4.500 3.691 3.560 3.888 . 0 0 "[ . 1 . 2]" 1
184 1 7 LEU H 1 7 LEU QD 3.000 . 4.100 2.559 2.313 2.988 . 0 0 "[ . 1 . 2]" 1
185 1 6 CYS HA 1 7 LEU H 2.100 . 2.700 2.320 2.074 2.891 0.191 7 0 "[ . 1 . 2]" 1
186 1 7 LEU H 1 7 LEU HB2 2.700 . 3.600 2.952 2.558 3.729 0.129 2 0 "[ . 1 . 2]" 1
187 1 5 ARG HB3 1 6 CYS H 2.500 . 3.300 2.048 1.835 2.805 . 0 0 "[ . 1 . 2]" 1
188 1 6 CYS H 1 7 LEU QD 3.000 . 4.100 2.879 2.577 3.268 . 0 0 "[ . 1 . 2]" 1
189 1 6 CYS H 1 6 CYS HB2 2.200 . 2.800 2.390 2.019 3.760 0.960 3 1 "[ + . 1 . 2]" 1
190 1 6 CYS H 1 6 CYS HA 2.900 . 4.000 2.896 2.797 2.945 . 0 0 "[ . 1 . 2]" 1
191 1 5 ARG HA 1 6 CYS H 2.300 . 3.000 2.607 2.199 2.829 . 0 0 "[ . 1 . 2]" 1
192 1 4 VAL MG1 1 5 ARG H 2.600 . 3.400 1.990 1.864 3.223 . 0 0 "[ . 1 . 2]" 1
193 1 5 ARG H 1 5 ARG HB2 2.600 . 3.400 2.418 1.999 3.256 . 0 0 "[ . 1 . 2]" 1
194 1 4 VAL HB 1 5 ARG H 3.400 . 4.800 2.890 2.332 4.115 . 0 0 "[ . 1 . 2]" 1
195 1 4 VAL HA 1 5 ARG H 2.600 . 4.500 3.199 2.341 3.557 . 0 0 "[ . 1 . 2]" 1
196 1 3 PRO HA 1 4 VAL H 2.400 . 3.100 2.581 2.359 3.160 0.060 8 0 "[ . 1 . 2]" 1
197 1 3 PRO QB 1 4 VAL H 4.800 . 5.500 2.811 2.142 4.000 . 0 0 "[ . 1 . 2]" 1
198 1 2 ILE H 1 2 ILE HB 2.900 . 4.000 2.568 2.337 3.655 . 0 0 "[ . 1 . 2]" 1
199 1 2 ILE H 1 7 LEU QD 3.000 . 4.500 2.573 1.902 3.017 . 0 0 "[ . 1 . 2]" 1
200 1 2 ILE H 1 2 ILE MG 2.700 . 4.500 3.799 3.729 4.016 . 0 0 "[ . 1 . 2]" 1
201 1 26 ASP HB3 1 27 GLY H 2.600 . 3.400 3.144 2.133 3.950 0.550 11 1 "[ . 1+ . 2]" 1
202 1 37 LEU HB3 1 38 GLY H 3.100 . 4.300 3.203 2.749 3.465 . 0 0 "[ . 1 . 2]" 1
203 1 35 ASP HA 1 36 ASP H 4.400 . 5.500 3.491 3.472 3.514 . 0 0 "[ . 1 . 2]" 1
204 1 39 LEU H 1 39 LEU MD1 2.900 . 4.000 1.946 1.866 2.179 . 0 0 "[ . 1 . 2]" 1
205 1 34 LEU H 1 34 LEU HB2 2.000 . 2.500 2.323 2.293 2.349 . 0 0 "[ . 1 . 2]" 1
206 1 54 THR HA 1 55 TRP H 3.200 . 4.500 2.722 2.149 3.547 . 0 0 "[ . 1 . 2]" 1
207 1 1 MET HA 1 2 ILE H 2.500 . 3.300 2.448 2.163 2.817 . 0 0 "[ . 1 . 2]" 1
208 1 7 LEU H 1 47 MET ME 3.300 . 4.700 4.322 3.441 4.701 0.001 12 0 "[ . 1 . 2]" 1
209 1 8 SER H 1 48 LEU MD1 2.900 . 4.500 4.397 4.165 4.559 0.059 7 0 "[ . 1 . 2]" 1
210 1 10 GLY H 1 11 LYS QB 3.000 . 4.500 4.525 4.508 4.581 0.081 9 0 "[ . 1 . 2]" 1
211 1 15 ALA HA 1 16 TYR H 3.900 . 5.500 3.495 3.448 3.578 . 0 0 "[ . 1 . 2]" 1
212 1 16 TYR HA 1 17 PHE H 3.200 . 4.500 3.467 3.442 3.489 . 0 0 "[ . 1 . 2]" 1
213 1 17 PHE H 1 18 ASN H 3.700 . 5.400 2.812 2.719 2.876 . 0 0 "[ . 1 . 2]" 1
214 1 49 ILE H 1 49 ILE QG 2.600 . 3.400 2.124 2.033 2.234 . 0 0 "[ . 1 . 2]" 1
215 1 20 TYR QD 1 21 GLN H 3.300 . 4.700 2.803 2.684 2.988 . 0 0 "[ . 1 . 2]" 1
216 1 39 LEU H 1 39 LEU MD2 2.900 . 4.000 3.990 3.553 4.082 0.082 11 0 "[ . 1 . 2]" 1
217 1 47 MET H 1 48 LEU HG 3.000 . 4.100 3.756 3.619 3.862 . 0 0 "[ . 1 . 2]" 1
218 1 44 CYS H 1 45 ARG HB2 3.200 . 4.500 3.601 3.463 4.039 . 0 0 "[ . 1 . 2]" 1
219 1 44 CYS HA 1 45 ARG H 3.000 . 4.100 3.564 3.544 3.574 . 0 0 "[ . 1 . 2]" 1
220 1 46 ARG H 1 49 ILE QG 4.100 . 5.500 3.580 3.382 3.782 . 0 0 "[ . 1 . 2]" 1
221 1 45 ARG HA 1 46 ARG H 3.700 . 5.400 3.574 3.568 3.578 . 0 0 "[ . 1 . 2]" 1
222 1 48 LEU H 1 48 LEU MD1 2.600 . 3.400 3.210 3.075 3.315 . 0 0 "[ . 1 . 2]" 1
223 1 48 LEU H 1 48 LEU MD2 3.500 . 5.000 3.560 3.375 3.696 . 0 0 "[ . 1 . 2]" 1
224 1 18 ASN QB 1 18 ASN HD21 4.100 . 5.500 2.212 2.085 2.438 . 0 0 "[ . 1 . 2]" 1
225 1 31 LYS H 1 31 LYS HB3 2.500 . 3.300 3.340 3.309 3.391 0.091 12 0 "[ . 1 . 2]" 1
226 1 28 GLU H 1 28 GLU HB3 2.700 . 3.600 3.635 3.605 3.663 0.063 19 0 "[ . 1 . 2]" 1
227 1 26 ASP H 1 26 ASP HB2 2.800 . 3.800 2.330 2.074 2.575 . 0 0 "[ . 1 . 2]" 1
228 1 32 ASP H 1 32 ASP HB3 2.700 . 3.600 3.157 3.079 3.305 . 0 0 "[ . 1 . 2]" 1
229 1 32 ASP H 1 32 ASP HB2 2.500 . 3.300 2.110 2.072 2.133 . 0 0 "[ . 1 . 2]" 1
230 1 16 TYR HB2 1 16 TYR QD 2.400 . 3.100 2.329 2.303 2.384 . 0 0 "[ . 1 . 2]" 1
231 1 20 TYR HB3 1 20 TYR QD 2.300 . 3.000 2.449 2.423 2.483 . 0 0 "[ . 1 . 2]" 1
232 1 20 TYR HB2 1 20 TYR QD 2.700 . 3.600 2.352 2.326 2.372 . 0 0 "[ . 1 . 2]" 1
233 1 42 TYR HB3 1 42 TYR QD 2.600 . 3.400 2.455 2.289 2.767 . 0 0 "[ . 1 . 2]" 1
234 1 29 ASP HA 1 30 PRO HD2 2.400 . 3.100 2.445 2.386 2.571 . 0 0 "[ . 1 . 2]" 1
235 1 29 ASP HA 1 30 PRO HD3 2.400 . 3.100 2.063 1.939 2.118 . 0 0 "[ . 1 . 2]" 1
236 1 13 VAL HA 1 13 VAL HB 2.600 . 3.400 2.384 2.331 2.414 . 0 0 "[ . 1 . 2]" 1
237 1 9 CYS HA 1 9 CYS HB3 2.400 . 3.100 2.792 2.549 2.897 . 0 0 "[ . 1 . 2]" 1
238 1 11 LYS HA 1 12 PRO HD3 2.600 . 3.400 2.167 1.898 2.463 . 0 0 "[ . 1 . 2]" 1
239 1 36 ASP HA 1 36 ASP HB3 2.600 . 3.400 2.768 2.578 2.878 . 0 0 "[ . 1 . 2]" 1
240 1 36 ASP HA 1 36 ASP HB2 2.700 . 3.600 2.919 2.830 3.018 . 0 0 "[ . 1 . 2]" 1
241 1 34 LEU HA 1 34 LEU HB3 2.700 . 3.600 2.612 2.592 2.621 . 0 0 "[ . 1 . 2]" 1
242 1 32 ASP HA 1 32 ASP HB3 2.400 . 3.100 2.898 2.818 2.932 . 0 0 "[ . 1 . 2]" 1
243 1 18 ASN HA 1 18 ASN QB 2.500 . 3.300 2.478 2.366 2.542 . 0 0 "[ . 1 . 2]" 1
244 1 28 GLU HA 1 28 GLU QG 2.700 . 2.700 2.422 2.329 2.547 . 0 0 "[ . 1 . 2]" 1
245 1 19 GLU HA 1 19 GLU QG 2.500 . 3.300 2.410 2.225 2.695 . 0 0 "[ . 1 . 2]" 1
246 1 30 PRO HA 1 30 PRO HB3 2.700 . 3.600 2.280 2.270 2.290 . 0 0 "[ . 1 . 2]" 1
247 1 28 GLU HA 1 28 GLU HB3 2.500 . 3.300 2.441 2.359 2.511 . 0 0 "[ . 1 . 2]" 1
248 1 24 VAL HA 1 24 VAL HB 2.500 . 3.300 3.021 3.018 3.025 . 0 0 "[ . 1 . 2]" 1
249 1 30 PRO HD3 1 30 PRO HG3 2.400 . 3.100 2.306 2.301 2.313 . 0 0 "[ . 1 . 2]" 1
250 1 30 PRO HB2 1 30 PRO HD2 2.200 . 2.800 2.665 2.655 2.671 . 0 0 "[ . 1 . 2]" 1
251 1 12 PRO HD3 1 12 PRO QG 2.500 . 3.300 2.205 2.170 2.242 . 0 0 "[ . 1 . 2]" 1
252 1 41 ARG HB2 1 41 ARG QD 2.500 . 3.300 3.015 2.168 3.343 0.043 11 0 "[ . 1 . 2]" 1
253 1 22 ARG QB 1 22 ARG HD2 2.300 . 3.000 2.348 1.982 3.004 0.004 8 0 "[ . 1 . 2]" 1
254 1 22 ARG QB 1 22 ARG HD3 2.200 . 2.800 2.548 2.147 2.979 0.179 2 0 "[ . 1 . 2]" 1
255 1 37 LEU HB2 1 37 LEU HG 2.700 . 3.600 2.752 2.706 2.796 . 0 0 "[ . 1 . 2]" 1
256 1 19 GLU QG 1 36 ASP HB2 3.000 . 4.100 3.676 3.139 4.126 0.026 5 0 "[ . 1 . 2]" 1
257 1 21 GLN QB 1 21 GLN HG3 2.100 . 2.700 2.455 2.279 2.513 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLN QB 1 21 GLN HG2 1.600 . 2.200 2.209 2.151 2.392 0.192 2 0 "[ . 1 . 2]" 1
259 1 5 ARG QB 1 5 ARG HD3 2.600 . 3.400 2.421 1.991 2.977 . 0 0 "[ . 1 . 2]" 1
260 1 12 PRO HB2 1 12 PRO HG2 1.300 . 2.200 2.011 1.977 2.038 . 0 0 "[ . 1 . 2]" 1
261 1 28 GLU HB3 1 28 GLU QG 2.200 . 2.800 2.390 2.134 2.521 . 0 0 "[ . 1 . 2]" 1
262 1 5 ARG QD 1 5 ARG HG2 2.200 . 2.800 2.396 2.138 2.530 . 0 0 "[ . 1 . 2]" 1
263 1 46 ARG HB2 1 46 ARG QD 2.000 . 2.500 2.320 1.929 2.504 0.004 10 0 "[ . 1 . 2]" 1
264 1 34 LEU HB3 1 34 LEU MD2 2.400 . 3.100 3.178 3.174 3.181 0.081 7 0 "[ . 1 . 2]" 1
265 1 39 LEU QB 1 39 LEU HG 1.900 . 2.400 2.442 2.347 2.495 0.095 11 0 "[ . 1 . 2]" 1
266 1 49 ILE HB 1 49 ILE MD 2.500 . 3.300 2.155 2.023 2.241 . 0 0 "[ . 1 . 2]" 1
267 1 40 LYS HB3 1 40 LYS HG3 2.100 . 2.700 2.593 2.411 2.730 0.030 9 0 "[ . 1 . 2]" 1
268 1 13 VAL HB 1 13 VAL MG1 2.400 . 3.100 2.120 2.084 2.134 . 0 0 "[ . 1 . 2]" 1
269 1 13 VAL HB 1 39 LEU MD1 3.000 . 4.100 4.100 3.940 4.162 0.062 19 0 "[ . 1 . 2]" 1
270 1 11 LYS HB2 1 11 LYS HD2 1.900 . 2.400 2.825 2.440 3.389 0.989 11 9 "[ *.** 1+ *.**-*2]" 1
271 1 41 ARG HB2 1 41 ARG QG 2.100 . 2.700 2.194 2.132 2.464 . 0 0 "[ . 1 . 2]" 1
272 1 4 VAL HB 1 5 ARG QB 2.700 . 4.500 3.994 3.912 4.223 . 0 0 "[ . 1 . 2]" 1
273 1 4 VAL HB 1 4 VAL QG 2.100 . 2.700 1.882 1.869 1.893 . 0 0 "[ . 1 . 2]" 1
274 1 23 ARG HB2 1 33 VAL HB 1.600 . 4.500 4.492 4.357 4.546 0.046 16 0 "[ . 1 . 2]" 1
275 1 12 PRO QB 1 13 VAL MG1 2.500 . 4.500 4.529 4.498 4.581 0.081 8 0 "[ . 1 . 2]" 1
276 1 31 LYS HB2 1 31 LYS QG 2.200 . 2.800 2.382 2.133 2.516 . 0 0 "[ . 1 . 2]" 1
277 1 33 VAL HB 1 33 VAL MG1 2.100 . 2.700 2.091 2.082 2.108 . 0 0 "[ . 1 . 2]" 1
278 1 24 VAL HB 1 24 VAL MG1 2.300 . 3.000 2.106 2.083 2.129 . 0 0 "[ . 1 . 2]" 1
279 1 28 GLU HB2 1 33 VAL MG2 2.600 . 3.400 3.438 3.407 3.517 0.117 17 0 "[ . 1 . 2]" 1
280 1 45 ARG HB3 1 49 ILE QG 2.600 . 3.400 2.478 2.107 2.664 . 0 0 "[ . 1 . 2]" 1
281 1 31 LYS H 1 33 VAL MG2 2.600 . 4.500 4.530 4.509 4.562 0.062 11 0 "[ . 1 . 2]" 1
282 1 7 LEU H 1 13 VAL MG1 2.800 . 4.500 4.524 3.856 4.658 0.158 12 0 "[ . 1 . 2]" 1
283 1 8 SER HB2 1 9 CYS H 2.600 . 3.400 2.610 2.178 3.463 0.063 10 0 "[ . 1 . 2]" 1
284 1 31 LYS H 1 31 LYS HA 2.700 . 3.600 2.749 2.734 2.761 . 0 0 "[ . 1 . 2]" 1
285 1 23 ARG H 1 23 ARG HA 2.800 . 3.800 2.802 2.770 2.830 . 0 0 "[ . 1 . 2]" 1
286 1 45 ARG H 1 45 ARG HA 2.900 . 4.000 2.721 2.698 2.747 . 0 0 "[ . 1 . 2]" 1
287 1 19 GLU HA 1 21 GLN H 3.200 . 4.500 4.532 4.508 4.554 0.054 17 0 "[ . 1 . 2]" 1
288 1 46 ARG H 1 46 ARG HA 2.700 . 3.600 2.692 2.669 2.719 . 0 0 "[ . 1 . 2]" 1
289 1 7 LEU H 1 7 LEU HA 2.600 . 3.400 2.769 2.292 2.936 . 0 0 "[ . 1 . 2]" 1
290 1 20 TYR QD 1 33 VAL MG1 2.800 . 3.800 3.153 3.010 3.475 . 0 0 "[ . 1 . 2]" 1
291 1 20 TYR QR 1 30 PRO HA 2.900 . 4.000 3.335 3.233 3.470 . 0 0 "[ . 1 . 2]" 1
292 1 13 VAL HA 1 37 LEU MD2 2.500 . 3.300 3.247 3.039 3.347 0.047 4 0 "[ . 1 . 2]" 1
293 1 21 GLN HA 1 21 GLN QB 2.300 . 3.000 2.334 2.292 2.383 . 0 0 "[ . 1 . 2]" 1
294 1 12 PRO HD2 1 12 PRO QG 2.200 . 2.800 2.207 2.169 2.250 . 0 0 "[ . 1 . 2]" 1
295 1 23 ARG HA 1 23 ARG HG3 2.200 . 2.800 2.344 2.009 3.393 0.593 10 1 "[ . + . 2]" 1
296 1 30 PRO HD3 1 30 PRO HG2 2.300 . 3.000 2.699 2.683 2.710 . 0 0 "[ . 1 . 2]" 1
297 1 20 TYR HA 1 33 VAL MG1 2.300 . 3.000 1.909 1.825 2.133 . 0 0 "[ . 1 . 2]" 1
298 1 33 VAL MG1 1 37 LEU HA 2.300 . 4.500 3.946 3.801 4.078 . 0 0 "[ . 1 . 2]" 1
299 1 8 SER HB2 1 13 VAL MG1 2.300 . 4.500 3.867 3.176 4.530 0.030 9 0 "[ . 1 . 2]" 1
300 1 22 ARG HA 1 25 ALA MB 2.500 . 3.300 2.544 2.322 2.726 . 0 0 "[ . 1 . 2]" 1
301 1 2 ILE HA 1 3 PRO HD2 2.500 . 3.300 2.286 2.131 2.390 . 0 0 "[ . 1 . 2]" 1
302 1 53 GLU QB 1 53 GLU HG3 1.300 . 2.200 2.272 2.203 2.460 0.260 19 0 "[ . 1 . 2]" 1
303 1 30 PRO HB3 1 30 PRO HG2 2.500 . 3.300 2.676 2.666 2.690 . 0 0 "[ . 1 . 2]" 1
304 1 30 PRO HB3 1 30 PRO HG3 2.400 . 3.100 2.310 2.303 2.317 . 0 0 "[ . 1 . 2]" 1
305 1 1 MET ME 1 7 LEU HG 2.200 . 4.500 3.774 3.117 4.100 . 0 0 "[ . 1 . 2]" 1
306 1 16 TYR HB3 1 37 LEU MD1 2.600 . 4.500 3.989 3.799 4.083 . 0 0 "[ . 1 . 2]" 1
307 1 20 TYR HB2 1 37 LEU MD1 2.700 . 3.600 1.945 1.896 2.167 . 0 0 "[ . 1 . 2]" 1
308 1 37 LEU MD1 1 37 LEU HG 2.200 . 2.800 2.114 2.102 2.125 . 0 0 "[ . 1 . 2]" 1
309 1 33 VAL MG1 1 36 ASP HB2 2.500 . 3.300 3.255 2.987 3.327 0.027 19 0 "[ . 1 . 2]" 1
310 1 24 VAL MG2 1 30 PRO HG3 2.600 . 3.400 1.853 1.795 1.910 0.005 6 0 "[ . 1 . 2]" 1
311 1 16 TYR HB3 1 37 LEU MD2 2.800 . 3.800 1.874 1.838 1.957 . 0 0 "[ . 1 . 2]" 1
312 1 3 PRO HG2 1 4 VAL MG1 2.100 . 4.500 4.552 4.257 4.601 0.101 2 0 "[ . 1 . 2]" 1
313 1 52 VAL HB 1 52 VAL QG 2.000 . 2.500 1.881 1.868 1.891 . 0 0 "[ . 1 . 2]" 1
314 1 44 CYS HA 1 44 CYS HB2 2.300 . 3.000 2.993 2.972 3.012 0.012 11 0 "[ . 1 . 2]" 1
315 1 47 MET HA 1 47 MET QB 2.300 . 3.000 2.400 2.296 2.510 . 0 0 "[ . 1 . 2]" 1
316 1 35 ASP HA 1 35 ASP HB2 2.200 . 2.800 2.639 2.545 2.684 . 0 0 "[ . 1 . 2]" 1
317 1 18 ASN HA 1 21 GLN QB 2.700 . 3.600 2.510 2.365 2.625 . 0 0 "[ . 1 . 2]" 1
318 1 1 MET HB2 1 1 MET ME 2.100 . 2.700 2.012 1.857 3.489 0.789 8 1 "[ . + 1 . 2]" 1
319 1 40 LYS HA 1 40 LYS HB3 2.300 . 3.000 2.712 2.384 3.018 0.018 11 0 "[ . 1 . 2]" 1
320 1 45 ARG QG 1 49 ILE QG 2.100 . 4.500 4.294 3.897 4.416 . 0 0 "[ . 1 . 2]" 1
321 1 11 LYS HD3 1 11 LYS QG 1.400 . 2.200 2.278 2.144 2.452 0.252 4 0 "[ . 1 . 2]" 1
322 1 5 ARG HG3 1 7 LEU QD 2.200 . 4.500 3.684 3.312 4.123 . 0 0 "[ . 1 . 2]" 1
323 1 5 ARG HG2 1 7 LEU QD 2.300 . 4.500 3.285 3.004 3.754 . 0 0 "[ . 1 . 2]" 1
324 1 37 LEU HB2 1 37 LEU MD1 2.600 . 3.400 2.124 2.097 2.158 . 0 0 "[ . 1 . 2]" 1
325 1 37 LEU HB3 1 37 LEU MD1 2.300 . 3.000 2.746 2.656 2.824 . 0 0 "[ . 1 . 2]" 1
326 1 34 LEU HG 1 45 ARG HB2 2.400 . 4.500 4.140 3.833 4.435 . 0 0 "[ . 1 . 2]" 1
327 1 39 LEU MD2 1 48 LEU MD1 2.200 . 2.800 1.692 1.634 2.101 . 0 0 "[ . 1 . 2]" 1
328 1 34 LEU HB3 1 39 LEU MD1 2.300 . 3.000 2.881 2.598 3.038 0.038 11 0 "[ . 1 . 2]" 1
329 1 33 VAL MG1 1 37 LEU HB2 2.200 . 4.500 3.807 3.706 3.888 . 0 0 "[ . 1 . 2]" 1
330 1 33 VAL MG1 1 37 LEU HB3 2.100 . 4.500 4.563 4.536 4.611 0.111 11 0 "[ . 1 . 2]" 1
331 1 24 VAL HB 1 24 VAL MG2 2.400 . 3.100 2.084 2.082 2.085 . 0 0 "[ . 1 . 2]" 1
332 1 24 VAL MG1 1 24 VAL MG2 2.200 . 2.800 1.956 1.863 2.056 . 0 0 "[ . 1 . 2]" 1
333 1 11 LYS QB 1 13 VAL MG1 2.100 . 4.500 3.824 3.189 4.276 . 0 0 "[ . 1 . 2]" 1
334 1 30 PRO HA 1 33 VAL MG2 2.700 . 3.600 1.949 1.905 2.029 . 0 0 "[ . 1 . 2]" 1
335 1 34 LEU HB2 1 37 LEU MD1 2.700 . 4.500 3.916 3.876 3.959 . 0 0 "[ . 1 . 2]" 1
336 1 49 ILE HA 1 49 ILE MG 2.700 . 3.600 2.204 2.082 2.272 . 0 0 "[ . 1 . 2]" 1
337 1 31 LYS QG 1 49 ILE MD 2.400 . 4.500 3.084 2.839 3.258 . 0 0 "[ . 1 . 2]" 1
338 1 2 ILE MD 1 7 LEU QD 2.100 . 4.500 2.623 1.815 3.683 . 0 0 "[ . 1 . 2]" 1
339 1 31 LYS HA 1 31 LYS HB3 2.200 . 2.800 2.828 2.782 2.851 0.051 8 0 "[ . 1 . 2]" 1
340 1 45 ARG HA 1 45 ARG QG 2.400 . 3.100 2.615 2.454 3.193 0.093 11 0 "[ . 1 . 2]" 1
341 1 23 ARG HA 1 25 ALA MB 2.500 . 4.500 4.496 4.343 4.565 0.065 10 0 "[ . 1 . 2]" 1
342 1 31 LYS HA 1 31 LYS QG 2.500 . 3.300 2.113 2.032 2.200 . 0 0 "[ . 1 . 2]" 1
343 1 45 ARG HA 1 49 ILE QG 2.400 . 4.500 3.265 3.070 3.480 . 0 0 "[ . 1 . 2]" 1
344 1 31 LYS HA 1 34 LEU HG 2.800 . 3.800 2.992 2.783 3.401 . 0 0 "[ . 1 . 2]" 1
345 1 46 ARG HA 1 46 ARG HB3 2.100 . 2.700 2.439 2.365 2.488 . 0 0 "[ . 1 . 2]" 1
346 1 34 LEU HA 1 37 LEU MD1 2.300 . 3.000 1.797 1.784 1.823 . 0 0 "[ . 1 . 2]" 1
347 1 34 LEU HA 1 34 LEU MD2 2.300 . 3.000 2.171 2.124 2.219 . 0 0 "[ . 1 . 2]" 1
348 1 34 LEU HB2 1 35 ASP HA 2.100 . 4.500 4.570 4.557 4.588 0.088 7 0 "[ . 1 . 2]" 1
349 1 7 LEU HA 1 7 LEU HB3 2.200 . 2.800 2.475 2.405 2.618 . 0 0 "[ . 1 . 2]" 1
350 1 28 GLU HA 1 28 GLU HB2 2.400 . 3.100 3.022 3.011 3.029 . 0 0 "[ . 1 . 2]" 1
351 1 40 LYS HA 1 40 LYS HB2 2.300 . 3.000 2.888 2.400 3.022 0.022 6 0 "[ . 1 . 2]" 1
352 1 40 LYS HA 1 40 LYS HG2 2.400 . 3.100 2.975 2.060 3.853 0.753 11 2 "[ . -+ . 2]" 1
353 1 37 LEU HA 1 37 LEU HB2 2.200 . 4.500 2.986 2.972 2.996 . 0 0 "[ . 1 . 2]" 1
354 1 37 LEU HA 1 37 LEU HB3 2.100 . 2.700 2.634 2.609 2.671 . 0 0 "[ . 1 . 2]" 1
355 1 1 MET HB2 1 7 LEU QD 3.600 . 5.200 3.598 3.070 5.097 . 0 0 "[ . 1 . 2]" 1
356 1 24 VAL MG2 1 33 VAL MG2 2.900 . 4.000 3.099 2.953 3.273 . 0 0 "[ . 1 . 2]" 1
357 1 37 LEU MD2 1 48 LEU MD2 2.500 . 4.500 4.493 4.333 4.561 0.061 3 0 "[ . 1 . 2]" 1
358 1 24 VAL MG2 1 30 PRO HA 2.800 . 3.800 2.899 2.625 3.169 . 0 0 "[ . 1 . 2]" 1
359 1 34 LEU HA 1 39 LEU MD1 2.800 . 3.800 2.347 2.120 2.603 . 0 0 "[ . 1 . 2]" 1
360 1 22 ARG H 1 22 ARG QB 2.500 . 3.300 2.292 2.230 2.467 . 0 0 "[ . 1 . 2]" 1
361 1 46 ARG HA 1 46 ARG HB2 2.900 . 4.000 2.454 2.405 2.529 . 0 0 "[ . 1 . 2]" 1
362 1 11 LYS QE 1 11 LYS QG 2.200 . 2.800 2.087 1.958 2.386 . 0 0 "[ . 1 . 2]" 1
363 1 2 ILE MD 1 2 ILE QG 2.200 . 2.800 1.868 1.846 1.884 . 0 0 "[ . 1 . 2]" 1
364 1 23 ARG H 1 23 ARG HG2 2.500 . 4.500 4.154 3.014 4.448 . 0 0 "[ . 1 . 2]" 1
365 1 20 TYR QR 1 30 PRO HG3 3.200 . 4.500 3.429 2.878 3.627 . 0 0 "[ . 1 . 2]" 1
366 1 23 ARG HG2 1 33 VAL MG1 2.900 . 4.000 3.659 2.714 4.321 0.321 10 0 "[ . 1 . 2]" 1
367 1 48 LEU MD1 1 48 LEU HG 2.300 . 3.000 2.088 2.080 2.121 . 0 0 "[ . 1 . 2]" 1
368 1 34 LEU HG 1 49 ILE QG 3.800 . 5.500 3.517 3.372 3.886 . 0 0 "[ . 1 . 2]" 1
369 1 5 ARG HB2 1 5 ARG HD3 2.100 . 2.700 2.080 1.849 2.442 . 0 0 "[ . 1 . 2]" 1
370 1 22 ARG HD3 1 22 ARG QG 2.100 . 2.700 2.290 2.145 2.504 . 0 0 "[ . 1 . 2]" 1
371 1 35 ASP HA 1 35 ASP HB3 2.400 . 3.100 2.994 2.977 3.024 . 0 0 "[ . 1 . 2]" 1
372 1 9 CYS HA 1 9 CYS HB2 2.400 . 3.100 2.885 2.798 3.016 . 0 0 "[ . 1 . 2]" 1
373 1 5 ARG QB 1 5 ARG HG2 1.800 . 2.200 2.154 2.136 2.165 . 0 0 "[ . 1 . 2]" 1
374 1 34 LEU HG 1 45 ARG HB3 2.200 . 2.800 2.504 2.176 2.858 0.058 11 0 "[ . 1 . 2]" 1
375 1 31 LYS HA 1 31 LYS HB2 2.500 . 3.300 2.863 2.838 2.905 . 0 0 "[ . 1 . 2]" 1
376 1 11 LYS HA 1 12 PRO HD2 2.300 . 3.000 2.526 2.069 3.047 0.047 19 0 "[ . 1 . 2]" 1
377 1 37 LEU HA 1 37 LEU QD 2.300 . 3.000 2.730 2.663 2.781 . 0 0 "[ . 1 . 2]" 1
378 1 6 CYS H 1 6 CYS HB3 2.900 . 4.000 3.293 2.832 3.569 . 0 0 "[ . 1 . 2]" 1
379 1 51 HIS HD2 1 52 VAL H 3.100 . 4.300 3.916 2.686 4.357 0.057 13 0 "[ . 1 . 2]" 1
380 1 2 ILE HA 1 3 PRO HD3 2.700 . 3.600 2.357 2.192 2.765 . 0 0 "[ . 1 . 2]" 1
381 1 41 ARG HB3 1 43 CYS HB3 2.700 . 3.600 3.599 3.359 3.639 0.039 12 0 "[ . 1 . 2]" 1
382 1 39 LEU MD1 1 44 CYS QB 2.800 . 4.500 4.404 4.103 4.703 0.203 11 0 "[ . 1 . 2]" 1
383 1 39 LEU MD2 1 44 CYS HB2 2.700 . 3.600 3.178 2.653 3.704 0.104 12 0 "[ . 1 . 2]" 1
384 1 39 LEU MD2 1 44 CYS QB 2.800 . 3.800 2.958 2.486 3.504 . 0 0 "[ . 1 . 2]" 1
385 1 44 CYS HB2 1 45 ARG QG 3.600 . 5.200 3.229 2.914 4.320 . 0 0 "[ . 1 . 2]" 1
386 1 50 SER QB 1 51 HIS QB 2.700 . 3.600 3.310 3.051 3.585 . 0 0 "[ . 1 . 2]" 1
387 1 8 SER HA 1 8 SER HB3 2.500 . 3.300 2.718 2.512 3.023 . 0 0 "[ . 1 . 2]" 1
388 1 21 GLN HG3 1 25 ALA MB 2.700 . 3.600 3.385 2.949 4.094 0.494 2 0 "[ . 1 . 2]" 1
389 1 13 VAL HB 1 13 VAL MG2 2.400 . 3.100 2.130 2.124 2.134 . 0 0 "[ . 1 . 2]" 1
390 1 13 VAL HB 1 37 LEU MD2 2.300 . 3.000 2.969 2.781 3.047 0.047 8 0 "[ . 1 . 2]" 1
391 1 13 VAL MG2 1 17 PHE QD 3.100 . 4.300 3.253 3.145 3.653 . 0 0 "[ . 1 . 2]" 1
392 1 13 VAL MG2 1 44 CYS QB 3.200 . 4.500 4.488 4.092 4.570 0.070 13 0 "[ . 1 . 2]" 1
393 1 34 LEU HB3 1 34 LEU HG 2.500 . 3.300 2.541 2.525 2.559 . 0 0 "[ . 1 . 2]" 1
394 1 34 LEU HB3 1 37 LEU MD1 2.100 . 4.500 3.791 3.653 3.850 . 0 0 "[ . 1 . 2]" 1
395 1 39 LEU HB2 1 39 LEU MD1 3.200 . 4.500 2.103 1.971 2.331 . 0 0 "[ . 1 . 2]" 1
396 1 37 LEU HB3 1 37 LEU HG 2.600 . 3.400 2.930 2.900 2.955 . 0 0 "[ . 1 . 2]" 1
397 1 37 LEU HA 1 37 LEU MD1 3.500 . 5.000 3.722 3.638 3.780 . 0 0 "[ . 1 . 2]" 1
398 1 37 LEU MD1 1 39 LEU MD1 2.600 . 3.400 2.090 1.912 2.286 . 0 0 "[ . 1 . 2]" 1
399 1 7 LEU QD 1 7 LEU HG 2.100 . 2.700 1.870 1.863 1.882 . 0 0 "[ . 1 . 2]" 1
400 1 20 TYR HB3 1 33 VAL MG1 2.700 . 3.600 3.437 3.319 3.519 . 0 0 "[ . 1 . 2]" 1
401 1 16 TYR HB3 1 39 LEU MD1 3.200 . 4.500 4.508 4.432 4.540 0.040 11 0 "[ . 1 . 2]" 1
402 1 34 LEU MD2 1 39 LEU MD1 2.500 . 3.300 3.331 3.277 3.504 0.204 11 0 "[ . 1 . 2]" 1
403 1 39 LEU HA 1 39 LEU MD2 3.400 . 4.800 3.725 3.453 4.048 . 0 0 "[ . 1 . 2]" 1
404 1 39 LEU HB3 1 39 LEU MD2 2.600 . 3.400 2.072 1.954 2.251 . 0 0 "[ . 1 . 2]" 1
405 1 13 VAL MG2 1 39 LEU MD2 2.600 . 3.400 2.940 2.826 3.090 . 0 0 "[ . 1 . 2]" 1
406 1 41 ARG HB3 1 44 CYS H 3.100 . 4.300 3.967 3.604 4.377 0.077 4 0 "[ . 1 . 2]" 1
407 1 45 ARG HA 1 48 LEU MD2 3.200 . 4.500 4.352 4.137 4.508 0.008 10 0 "[ . 1 . 2]" 1
408 1 34 LEU MD2 1 45 ARG HA 2.800 . 4.500 4.185 3.984 4.512 0.012 11 0 "[ . 1 . 2]" 1
409 1 45 ARG HA 1 48 LEU HG 2.700 . 3.600 3.370 3.035 3.591 . 0 0 "[ . 1 . 2]" 1
410 1 45 ARG HA 1 45 ARG HB3 2.300 . 3.000 2.387 2.355 2.436 . 0 0 "[ . 1 . 2]" 1
411 1 34 LEU HG 1 45 ARG HA 3.300 . 4.700 4.010 3.488 4.629 . 0 0 "[ . 1 . 2]" 1
412 1 45 ARG H 1 45 ARG HB2 3.200 . 4.500 2.802 2.694 2.880 . 0 0 "[ . 1 . 2]" 1
413 1 46 ARG HA 1 46 ARG QD 2.700 . 4.500 4.154 3.922 4.520 0.020 8 0 "[ . 1 . 2]" 1
414 1 46 ARG HA 1 49 ILE MD 2.800 . 3.800 2.163 1.980 2.451 . 0 0 "[ . 1 . 2]" 1
415 1 46 ARG H 1 46 ARG HB2 2.800 . 3.800 3.599 3.588 3.611 . 0 0 "[ . 1 . 2]" 1
416 1 11 LYS QG 1 12 PRO HD2 3.300 . 4.700 2.484 1.890 3.453 0.010 4 0 "[ . 1 . 2]" 1
417 1 47 MET ME 1 47 MET HG2 2.600 . 3.400 3.147 2.700 3.384 . 0 0 "[ . 1 . 2]" 1
418 1 7 LEU QD 1 47 MET ME 2.600 . 2.700 1.907 1.686 2.167 0.114 4 0 "[ . 1 . 2]" 1
419 1 2 ILE MG 1 47 MET ME 2.600 . 4.500 4.525 4.149 4.634 0.134 8 0 "[ . 1 . 2]" 1
420 1 2 ILE HA 1 2 ILE MD 3.300 . 4.700 2.350 2.232 2.447 . 0 0 "[ . 1 . 2]" 1
421 1 48 LEU HA 1 52 VAL HB 2.000 . 2.500 1.911 1.882 2.011 . 0 0 "[ . 1 . 2]" 1
422 1 40 LYS HA 1 40 LYS QD 2.700 . 3.600 2.632 1.953 3.244 . 0 0 "[ . 1 . 2]" 1
423 1 3 PRO HD2 1 3 PRO HG3 3.000 . 4.100 2.698 2.673 2.768 . 0 0 "[ . 1 . 2]" 1
424 1 12 PRO QB 1 12 PRO HD2 2.600 . 3.400 3.234 2.849 3.528 0.128 10 0 "[ . 1 . 2]" 1
425 1 12 PRO HA 1 12 PRO HD3 3.200 . 4.500 3.681 3.366 3.957 . 0 0 "[ . 1 . 2]" 1
426 1 11 LYS HD2 1 12 PRO HD3 3.100 . 4.300 3.987 3.026 4.961 0.661 10 3 "[ . + - * 2]" 1
427 1 14 SER HA 1 14 SER HB3 1.900 . 2.400 2.338 2.308 2.445 0.045 5 0 "[ . 1 . 2]" 1
428 1 19 GLU HA 1 20 TYR H 2.600 . 4.500 3.551 3.539 3.559 . 0 0 "[ . 1 . 2]" 1
429 1 19 GLU QB 1 20 TYR H 2.700 . 3.400 2.347 2.181 2.531 . 0 0 "[ . 1 . 2]" 1
430 1 20 TYR QD 1 21 GLN HA 4.400 . 5.500 2.730 2.589 2.892 . 0 0 "[ . 1 . 2]" 1
431 1 21 GLN HA 1 21 GLN HG2 2.700 . 3.600 3.501 3.178 3.720 0.120 16 0 "[ . 1 . 2]" 1
432 1 21 GLN HA 1 24 VAL HB 2.400 . 3.100 2.999 2.778 3.112 0.012 10 0 "[ . 1 . 2]" 1
433 1 52 VAL HA 1 52 VAL MG2 2.500 . 3.300 2.244 1.914 2.418 . 0 0 "[ . 1 . 2]" 1
434 1 48 LEU HA 1 52 VAL QG 2.300 . 3.000 2.931 2.814 3.004 0.004 4 0 "[ . 1 . 2]" 1
435 1 24 VAL MG2 1 30 PRO HB3 3.000 . 4.100 2.478 2.185 2.897 . 0 0 "[ . 1 . 2]" 1
436 1 21 GLN HA 1 24 VAL MG2 3.000 . 4.100 3.575 3.264 3.824 . 0 0 "[ . 1 . 2]" 1
437 1 24 VAL HB 1 25 ALA H 2.600 . 3.400 2.883 2.720 3.003 . 0 0 "[ . 1 . 2]" 1
438 1 47 MET QB 1 48 LEU HA 2.500 . 4.500 3.873 3.611 4.030 . 0 0 "[ . 1 . 2]" 1
439 1 2 ILE HA 1 2 ILE HB 2.300 . 3.000 3.012 2.993 3.020 0.020 3 0 "[ . 1 . 2]" 1
440 1 16 TYR HB2 1 39 LEU MD2 3.300 . 4.700 4.606 4.126 4.747 0.047 9 0 "[ . 1 . 2]" 1
441 1 49 ILE HB 1 49 ILE QG 3.000 . 4.100 2.516 2.500 2.529 . 0 0 "[ . 1 . 2]" 1
442 1 52 VAL HA 1 53 GLU H 2.800 . 3.800 2.485 2.123 2.951 . 0 0 "[ . 1 . 2]" 1
443 1 40 LYS HB3 1 40 LYS QG 2.300 . 3.000 2.328 2.139 2.504 . 0 0 "[ . 1 . 2]" 1
444 1 33 VAL HA 1 36 ASP HB3 5.000 . 5.500 3.816 3.484 4.135 . 0 0 "[ . 1 . 2]" 1
445 1 35 ASP HB2 1 36 ASP H 2.800 . 3.800 3.677 3.565 3.815 0.015 15 0 "[ . 1 . 2]" 1
446 1 32 ASP HA 1 35 ASP HB2 2.500 . 3.300 3.138 2.982 3.315 0.015 15 0 "[ . 1 . 2]" 1
447 1 33 VAL HA 1 33 VAL HB 2.900 . 4.000 3.022 3.017 3.025 . 0 0 "[ . 1 . 2]" 1
448 1 20 TYR QD 1 33 VAL HB 3.200 . 4.500 3.146 2.998 3.237 . 0 0 "[ . 1 . 2]" 1
449 1 20 TYR QE 1 30 PRO HB3 2.800 . 3.800 1.990 1.930 2.072 . 0 0 "[ . 1 . 2]" 1
450 1 49 ILE HA 1 49 ILE QG 3.100 . 4.300 3.265 3.248 3.287 . 0 0 "[ . 1 . 2]" 1
451 1 17 PHE HA 1 17 PHE QD 2.400 . 3.100 1.976 1.876 2.093 . 0 0 "[ . 1 . 2]" 1
452 1 20 TYR QE 1 30 PRO HA 2.700 . 4.500 4.157 4.076 4.255 . 0 0 "[ . 1 . 2]" 1
453 1 16 TYR HB3 1 16 TYR QD 2.100 . 2.700 2.494 2.414 2.540 . 0 0 "[ . 1 . 2]" 1
454 1 42 TYR QD 1 46 ARG QD 2.300 . 4.500 3.722 1.982 4.542 0.042 14 0 "[ . 1 . 2]" 1
455 1 13 VAL HB 1 17 PHE QD 2.800 . 3.800 3.084 2.864 3.512 . 0 0 "[ . 1 . 2]" 1
456 1 20 TYR QE 1 30 PRO HB2 2.200 . 2.800 2.713 2.585 2.746 . 0 0 "[ . 1 . 2]" 1
457 1 42 TYR QD 1 46 ARG QG 2.800 . 3.800 3.037 2.225 3.740 . 0 0 "[ . 1 . 2]" 1
458 1 21 GLN HE21 1 54 THR MG 2.800 . 3.800 3.485 2.169 4.195 0.395 20 0 "[ . 1 . 2]" 1
459 1 15 ALA MB 1 16 TYR QE 2.800 . 4.500 4.386 4.027 4.516 0.016 12 0 "[ . 1 . 2]" 1
460 1 17 PHE QD 1 52 VAL MG2 2.600 . 3.400 3.223 2.982 3.436 0.036 3 0 "[ . 1 . 2]" 1
461 1 20 TYR QD 1 34 LEU MD2 2.400 . 3.100 2.600 2.486 2.843 . 0 0 "[ . 1 . 2]" 1
462 1 20 TYR QR 1 24 VAL MG2 2.300 . 3.000 2.449 2.346 2.612 . 0 0 "[ . 1 . 2]" 1
463 1 17 PHE QE 1 39 LEU MD2 2.900 . 4.000 2.688 2.234 3.123 . 0 0 "[ . 1 . 2]" 1
464 1 20 TYR QD 1 37 LEU MD1 2.300 . 3.000 2.828 2.652 2.987 . 0 0 "[ . 1 . 2]" 1
465 1 20 TYR QE 1 52 VAL MG2 2.500 . 4.500 4.076 3.717 4.508 0.008 6 0 "[ . 1 . 2]" 1
466 1 20 TYR QE 1 30 PRO HB2 2.200 . 2.800 2.819 2.778 2.848 0.048 18 0 "[ . 1 . 2]" 1
467 1 20 TYR HA 1 20 TYR QD 2.400 . 3.100 3.116 3.041 3.158 0.058 9 0 "[ . 1 . 2]" 1
468 1 37 LEU MD2 1 37 LEU HG 2.000 . 2.500 2.091 2.083 2.109 . 0 0 "[ . 1 . 2]" 1
469 1 30 PRO HB2 1 49 ILE MG 2.100 . 2.700 2.401 2.251 2.601 . 0 0 "[ . 1 . 2]" 1
470 1 30 PRO HB2 1 34 LEU MD2 2.300 . 3.000 3.047 2.912 3.071 0.071 19 0 "[ . 1 . 2]" 1
471 1 4 VAL HB 1 4 VAL MG2 2.100 . 2.700 2.100 2.078 2.122 . 0 0 "[ . 1 . 2]" 1
472 1 7 LEU HG 1 52 VAL MG2 2.100 . 4.500 4.534 4.378 4.583 0.083 19 0 "[ . 1 . 2]" 1
473 1 2 ILE QG 1 2 ILE MG 2.200 . 2.800 2.129 2.053 2.365 . 0 0 "[ . 1 . 2]" 1
474 1 37 LEU HB3 1 37 LEU MD2 2.200 . 2.800 2.022 1.981 2.082 . 0 0 "[ . 1 . 2]" 1
475 1 37 LEU HB3 1 39 LEU HG 2.700 . 3.600 2.597 2.159 2.947 . 0 0 "[ . 1 . 2]" 1
476 1 31 LYS QG 1 49 ILE QG 2.300 . 4.500 4.209 4.095 4.254 . 0 0 "[ . 1 . 2]" 1
477 1 48 LEU HG 1 52 VAL MG2 2.000 . 4.500 4.458 4.260 4.557 0.057 4 0 "[ . 1 . 2]" 1
478 1 7 LEU QD 1 48 LEU HG 1.800 . 4.500 2.307 2.070 2.615 . 0 0 "[ . 1 . 2]" 1
479 1 39 LEU MD1 1 39 LEU HG 2.400 . 3.100 2.093 2.086 2.112 . 0 0 "[ . 1 . 2]" 1
480 1 48 LEU HB3 1 52 VAL MG2 2.100 . 2.700 2.592 2.334 2.711 0.011 16 0 "[ . 1 . 2]" 1
481 1 49 ILE MD 1 49 ILE MG 2.100 . 2.700 2.540 2.384 2.663 . 0 0 "[ . 1 . 2]" 1
482 1 34 LEU MD2 1 34 LEU HG 2.300 . 3.000 2.116 2.112 2.119 . 0 0 "[ . 1 . 2]" 1
483 1 45 ARG HB2 1 49 ILE QG 1.900 . 4.500 3.248 3.065 3.485 . 0 0 "[ . 1 . 2]" 1
484 1 19 GLU QG 1 22 ARG QB 2.300 . 4.500 4.049 3.750 4.380 . 0 0 "[ . 1 . 2]" 1
485 1 30 PRO HB2 1 30 PRO HG2 1.900 . 2.400 2.322 2.312 2.331 . 0 0 "[ . 1 . 2]" 1
486 1 3 PRO HG2 1 4 VAL HB 2.300 . 3.000 3.104 3.059 3.185 0.185 6 0 "[ . 1 . 2]" 1
487 1 1 MET ME 1 7 LEU HB2 2.000 . 2.500 1.905 1.777 2.511 0.011 8 0 "[ . 1 . 2]" 1
488 1 5 ARG QB 1 7 LEU HB2 2.200 . 4.500 4.602 4.551 4.656 0.156 10 0 "[ . 1 . 2]" 1
489 1 46 ARG QG 1 47 MET ME 1.800 . 4.500 4.080 3.740 4.375 . 0 0 "[ . 1 . 2]" 1
490 1 5 ARG HG3 1 47 MET ME 2.300 . 3.000 2.154 1.840 2.798 . 0 0 "[ . 1 . 2]" 1
491 1 40 LYS HB2 1 40 LYS HG3 2.000 . 2.500 2.572 2.220 3.011 0.511 19 2 "[ . 1 - . +2]" 1
492 1 23 ARG HG3 1 28 GLU HB2 2.200 . 2.800 2.265 1.936 3.756 0.956 10 1 "[ . + . 2]" 1
493 1 1 MET HB3 1 1 MET ME 2.500 . 3.300 3.083 2.416 3.320 0.020 11 0 "[ . 1 . 2]" 1
494 1 13 VAL MG2 1 48 LEU MD1 2.600 . 3.400 3.074 2.784 3.297 . 0 0 "[ . 1 . 2]" 1
495 1 34 LEU MD2 1 37 LEU MD1 2.000 . 2.500 1.876 1.786 1.974 . 0 0 "[ . 1 . 2]" 1
496 1 39 LEU MD1 1 49 ILE MG 2.500 . 4.500 4.497 4.464 4.538 0.038 19 0 "[ . 1 . 2]" 1
497 1 48 LEU MD1 1 48 LEU MD2 2.900 . 4.000 1.993 1.930 2.081 . 0 0 "[ . 1 . 2]" 1
498 1 7 LEU QD 1 48 LEU MD2 2.300 . 3.000 1.679 1.652 1.785 . 0 0 "[ . 1 . 2]" 1
499 1 48 LEU MD2 1 52 VAL MG2 2.000 . 2.500 2.195 2.005 2.380 . 0 0 "[ . 1 . 2]" 1
500 1 39 LEU MD2 1 39 LEU HG 2.400 . 3.100 2.099 2.078 2.117 . 0 0 "[ . 1 . 2]" 1
501 1 39 LEU MD1 1 39 LEU MD2 2.300 . 3.000 2.018 1.943 2.061 . 0 0 "[ . 1 . 2]" 1
502 1 37 LEU MD2 1 39 LEU MD2 2.400 . 3.100 2.755 2.322 3.029 . 0 0 "[ . 1 . 2]" 1
503 1 13 VAL MG1 1 39 LEU HB3 2.300 . 3.000 2.622 1.848 3.002 0.002 17 0 "[ . 1 . 2]" 1
504 1 49 ILE QG 1 49 ILE MG 2.200 . 2.800 2.117 2.049 2.148 . 0 0 "[ . 1 . 2]" 1
505 1 4 VAL MG1 1 5 ARG HG2 2.200 . 4.500 4.464 4.256 4.574 0.074 4 0 "[ . 1 . 2]" 1
506 1 33 VAL MG1 1 33 VAL MG2 1.800 . 2.200 2.057 2.041 2.077 . 0 0 "[ . 1 . 2]" 1
507 1 52 VAL MG1 1 54 THR MG 2.100 . 2.700 2.343 1.857 2.637 . 0 0 "[ . 1 . 2]" 1
508 1 13 VAL MG2 1 48 LEU MD2 2.700 . 3.600 2.625 2.262 2.863 . 0 0 "[ . 1 . 2]" 1
509 1 19 GLU QG 1 33 VAL MG1 2.400 . 3.100 2.747 2.248 3.187 0.087 17 0 "[ . 1 . 2]" 1
510 1 19 GLU QB 1 33 VAL MG1 1.900 . 2.400 2.202 1.752 2.356 . 0 0 "[ . 1 . 2]" 1
511 1 1 MET ME 1 7 LEU QD 2.000 . 2.500 2.477 2.071 2.595 0.095 11 0 "[ . 1 . 2]" 1
512 1 7 LEU HB2 1 7 LEU QD 2.000 . 2.500 2.032 1.869 2.130 . 0 0 "[ . 1 . 2]" 1
513 1 49 ILE HB 1 49 ILE MG 2.000 . 2.500 2.121 2.114 2.125 . 0 0 "[ . 1 . 2]" 1
514 1 23 ARG HB3 1 23 ARG HG2 2.100 . 2.700 2.392 2.249 2.869 0.169 10 0 "[ . 1 . 2]" 1
515 1 34 LEU HB2 1 49 ILE MG 2.200 . 4.500 3.491 3.363 3.660 . 0 0 "[ . 1 . 2]" 1
516 1 34 LEU HB2 1 34 LEU HG 2.100 . 2.700 2.354 2.338 2.371 . 0 0 "[ . 1 . 2]" 1
517 1 33 VAL HB 1 33 VAL MG2 1.800 . 2.200 2.119 2.106 2.127 . 0 0 "[ . 1 . 2]" 1
518 1 23 ARG HG2 1 33 VAL MG2 1.900 . 2.400 1.961 1.854 3.216 0.816 10 1 "[ . + . 2]" 1
519 1 34 LEU HB2 1 34 LEU MD2 2.400 . 3.100 2.566 2.525 2.594 . 0 0 "[ . 1 . 2]" 1
520 1 7 LEU HB3 1 48 LEU MD2 2.200 . 2.800 2.130 1.750 2.463 . 0 0 "[ . 1 . 2]" 1
521 1 3 PRO HA 1 4 VAL HB 2.700 . 4.500 4.553 4.487 4.732 0.232 10 0 "[ . 1 . 2]" 1
522 1 46 ARG HB2 1 47 MET HA 2.200 . 4.500 4.516 4.439 4.547 0.047 15 0 "[ . 1 . 2]" 1
523 1 46 ARG QG 1 47 MET HA 2.200 . 4.500 3.718 3.204 4.295 . 0 0 "[ . 1 . 2]" 1
524 1 37 LEU HA 1 37 LEU MD2 2.200 . 2.800 2.809 2.722 2.886 0.086 6 0 "[ . 1 . 2]" 1
525 1 10 GLY HA3 1 11 LYS HD3 2.500 . 4.500 4.216 3.606 4.544 0.044 20 0 "[ . 1 . 2]" 1
526 1 19 GLU HA 1 22 ARG QB 2.400 . 3.100 2.695 2.371 2.879 . 0 0 "[ . 1 . 2]" 1
527 1 2 ILE HA 1 2 ILE HB 2.500 . 3.300 2.314 2.241 2.437 . 0 0 "[ . 1 . 2]" 1
528 1 7 LEU HA 1 7 LEU QD 2.500 . 3.300 1.870 1.818 2.015 . 0 0 "[ . 1 . 2]" 1
529 1 2 ILE HA 1 2 ILE MG 2.500 . 3.300 2.485 2.296 2.590 . 0 0 "[ . 1 . 2]" 1
530 1 7 LEU HA 1 7 LEU HB2 2.300 . 3.000 3.011 2.996 3.016 0.016 12 0 "[ . 1 . 2]" 1
531 1 44 CYS HA 1 48 LEU MD2 2.400 . 4.500 4.565 4.469 4.633 0.133 10 0 "[ . 1 . 2]" 1
532 1 42 TYR HA 1 45 ARG HB2 2.700 . 3.600 2.650 1.947 2.970 . 0 0 "[ . 1 . 2]" 1
533 1 42 TYR HA 1 45 ARG HB3 2.400 . 4.500 4.126 3.552 4.491 . 0 0 "[ . 1 . 2]" 1
534 1 48 LEU HA 1 52 VAL MG2 2.400 . 4.500 3.153 2.941 3.345 . 0 0 "[ . 1 . 2]" 1
535 1 34 LEU HA 1 37 LEU HB2 2.900 . 4.000 2.006 1.933 2.184 . 0 0 "[ . 1 . 2]" 1
536 1 48 LEU HA 1 48 LEU MD2 2.700 . 3.600 2.553 2.442 2.681 . 0 0 "[ . 1 . 2]" 1
537 1 33 VAL HB 1 34 LEU HA 2.200 . 4.500 4.124 4.022 4.164 . 0 0 "[ . 1 . 2]" 1
538 1 30 PRO HB2 1 30 PRO HD2 2.300 . 3.000 2.998 2.972 3.014 0.014 9 0 "[ . 1 . 2]" 1
539 1 1 MET ME 1 3 PRO HA 2.600 . 4.500 3.597 2.575 4.646 0.146 8 0 "[ . 1 . 2]" 1
540 1 53 GLU HA 1 53 GLU HG2 2.400 . 3.100 2.420 2.213 2.764 . 0 0 "[ . 1 . 2]" 1
541 1 19 GLU HA 1 19 GLU QB 2.300 . 3.000 2.492 2.450 2.513 . 0 0 "[ . 1 . 2]" 1
542 1 2 ILE HA 1 3 PRO HG2 2.400 . 4.500 4.433 4.316 4.534 0.034 8 0 "[ . 1 . 2]" 1
543 1 31 LYS HB3 1 32 ASP HA 2.600 . 4.500 3.969 3.914 4.022 . 0 0 "[ . 1 . 2]" 1
544 1 33 VAL HA 1 36 ASP HB2 2.100 . 2.700 2.473 2.365 2.590 . 0 0 "[ . 1 . 2]" 1
545 1 33 VAL HA 1 37 LEU MD1 2.400 . 4.500 3.841 3.746 4.130 . 0 0 "[ . 1 . 2]" 1
546 1 24 VAL HA 1 24 VAL MG2 2.200 . 2.800 2.362 2.328 2.453 . 0 0 "[ . 1 . 2]" 1
547 1 24 VAL HA 1 24 VAL MG1 2.100 . 2.700 2.328 2.248 2.419 . 0 0 "[ . 1 . 2]" 1
548 1 4 VAL HA 1 4 VAL MG2 2.000 . 2.500 2.110 1.963 2.231 . 0 0 "[ . 1 . 2]" 1
549 1 25 ALA HA 1 25 ALA MB 2.000 . 2.500 2.113 2.086 2.128 . 0 0 "[ . 1 . 2]" 1
550 1 41 ARG HA 1 41 ARG HB3 2.500 . 3.300 2.522 2.419 2.648 . 0 0 "[ . 1 . 2]" 1
551 1 41 ARG HA 1 41 ARG QG 2.400 . 3.100 2.570 2.256 3.048 . 0 0 "[ . 1 . 2]" 1
552 1 39 LEU HA 1 39 LEU HB3 2.600 . 3.400 2.290 2.222 2.397 . 0 0 "[ . 1 . 2]" 1
553 1 19 GLU QB 1 37 LEU HA 2.100 . 4.500 3.753 3.487 3.971 . 0 0 "[ . 1 . 2]" 1
554 1 15 ALA HA 1 15 ALA MB 2.100 . 2.700 2.110 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
555 1 7 LEU HA 1 48 LEU HG 2.400 . 4.500 3.896 3.623 4.344 . 0 0 "[ . 1 . 2]" 1
556 1 30 PRO HD2 1 30 PRO HG2 2.200 . 2.800 2.309 2.303 2.316 . 0 0 "[ . 1 . 2]" 1
557 1 33 VAL HA 1 33 VAL MG1 2.200 . 2.800 2.360 2.273 2.428 . 0 0 "[ . 1 . 2]" 1
558 1 33 VAL HA 1 33 VAL MG2 2.300 . 3.000 2.368 2.332 2.429 . 0 0 "[ . 1 . 2]" 1
559 1 2 ILE MD 1 3 PRO HD2 2.300 . 4.500 4.495 4.181 4.668 0.168 11 0 "[ . 1 . 2]" 1
560 1 41 ARG QD 1 41 ARG HG2 2.000 . 2.500 2.103 2.084 2.131 . 0 0 "[ . 1 . 2]" 1
561 1 11 LYS QE 1 11 LYS HG3 2.100 . 2.700 2.242 1.967 2.573 . 0 0 "[ . 1 . 2]" 1
562 1 40 LYS QD 1 40 LYS HE2 2.300 . 3.000 2.164 2.052 2.363 . 0 0 "[ . 1 . 2]" 1
563 1 2 ILE QG 1 3 PRO HD3 2.500 . 4.500 4.231 3.891 4.756 0.256 8 0 "[ . 1 . 2]" 1
564 1 5 ARG HB3 1 6 CYS HB2 2.200 . 4.500 3.793 3.153 5.271 0.771 3 1 "[ + . 1 . 2]" 1
565 1 41 ARG HB3 1 41 ARG QD 2.200 . 2.800 2.234 1.937 2.631 . 0 0 "[ . 1 . 2]" 1
566 1 16 TYR HA 1 16 TYR HB3 2.400 . 3.100 2.661 2.608 2.676 . 0 0 "[ . 1 . 2]" 1
567 1 16 TYR HA 1 18 ASN QB 2.400 . 4.500 3.948 3.791 4.111 . 0 0 "[ . 1 . 2]" 1
568 1 16 TYR HA 1 16 TYR HB2 2.400 . 3.100 2.976 2.969 3.004 . 0 0 "[ . 1 . 2]" 1
569 1 32 ASP HA 1 32 ASP HB2 2.200 . 2.800 2.805 2.768 2.883 0.083 4 0 "[ . 1 . 2]" 1
570 1 50 SER HA 1 50 SER QB 2.200 . 2.800 2.461 2.216 2.544 . 0 0 "[ . 1 . 2]" 1
571 1 43 CYS HA 1 43 CYS HB3 2.000 . 2.500 2.432 2.393 2.543 0.043 5 0 "[ . 1 . 2]" 1
572 1 43 CYS HA 1 43 CYS HB2 2.100 . 2.700 2.477 2.354 2.523 . 0 0 "[ . 1 . 2]" 1
573 1 23 ARG HA 1 23 ARG HD2 2.200 . 2.800 2.721 2.012 3.513 0.713 10 1 "[ . + . 2]" 1
574 1 11 LYS QE 1 12 PRO HD2 2.300 . 4.500 3.890 3.310 4.512 0.012 6 0 "[ . 1 . 2]" 1
575 1 5 ARG HA 1 5 ARG QD 2.400 . 3.100 2.478 2.014 3.113 0.013 16 0 "[ . 1 . 2]" 1
576 1 22 ARG HD2 1 22 ARG QG 2.300 . 3.000 2.398 2.181 2.530 . 0 0 "[ . 1 . 2]" 1
577 1 17 PHE QD 1 37 LEU MD2 2.300 . 3.000 2.116 1.950 2.280 . 0 0 "[ . 1 . 2]" 1
578 1 48 LEU MD1 1 49 ILE MG 2.500 . 4.500 4.173 3.967 4.338 . 0 0 "[ . 1 . 2]" 1
579 1 16 TYR QD 1 19 GLU QG 2.900 . 4.000 3.568 2.836 3.881 . 0 0 "[ . 1 . 2]" 1
580 1 16 TYR QD 1 19 GLU QB 2.700 . 3.600 2.907 2.760 3.485 . 0 0 "[ . 1 . 2]" 1
581 1 7 LEU HB3 1 17 PHE QE 2.700 . 3.600 3.591 3.471 3.657 0.057 6 0 "[ . 1 . 2]" 1
582 1 16 TYR HB2 1 37 LEU MD2 2.300 . 3.000 2.353 2.140 2.559 . 0 0 "[ . 1 . 2]" 1
583 1 45 ARG HB3 1 49 ILE MG 2.200 . 2.800 2.620 2.393 2.811 0.011 10 0 "[ . 1 . 2]" 1
584 1 33 VAL HB 1 34 LEU MD2 2.300 . 3.000 2.664 2.599 2.709 . 0 0 "[ . 1 . 2]" 1
585 1 52 VAL HB 1 52 VAL MG1 2.100 . 2.700 2.114 2.104 2.124 . 0 0 "[ . 1 . 2]" 1
586 1 4 VAL MG1 1 5 ARG HB2 2.200 . 2.800 2.747 2.414 2.917 0.117 19 0 "[ . 1 . 2]" 1
587 1 7 LEU QD 1 48 LEU MD1 2.300 . 3.000 2.563 2.324 2.790 . 0 0 "[ . 1 . 2]" 1
588 1 2 ILE HB 1 2 ILE MD 2.200 . 2.800 2.317 2.205 2.483 . 0 0 "[ . 1 . 2]" 1
589 1 2 ILE MD 1 7 LEU HB2 2.300 . 4.500 4.136 3.034 4.576 0.076 4 0 "[ . 1 . 2]" 1
590 1 5 ARG HB3 1 7 LEU QD 2.300 . 3.000 1.985 1.742 2.575 . 0 0 "[ . 1 . 2]" 1
591 1 47 MET QB 1 47 MET ME 2.200 . 2.800 1.866 1.816 1.900 . 0 0 "[ . 1 . 2]" 1
592 1 41 ARG HB3 1 41 ARG QG 2.200 . 2.800 2.412 2.221 2.521 . 0 0 "[ . 1 . 2]" 1
593 1 19 GLU QB 1 19 GLU QG 2.000 . 2.500 2.013 1.963 2.046 . 0 0 "[ . 1 . 2]" 1
594 1 44 CYS HA 1 47 MET ME 2.100 . 2.700 2.636 2.294 2.760 0.060 4 0 "[ . 1 . 2]" 1
595 1 1 MET HA 1 7 LEU QD 2.400 . 4.500 4.232 3.686 4.482 . 0 0 "[ . 1 . 2]" 1
596 1 33 VAL HB 1 37 LEU MD1 2.200 . 2.800 2.675 2.522 2.774 . 0 0 "[ . 1 . 2]" 1
597 1 5 ARG HA 1 5 ARG HB2 2.500 . 3.300 2.232 2.031 2.349 . 0 0 "[ . 1 . 2]" 1
598 1 39 LEU HA 1 39 LEU HG 2.700 . 3.600 2.896 2.561 3.471 . 0 0 "[ . 1 . 2]" 1
599 1 39 LEU HA 1 39 LEU MD1 2.900 . 4.000 3.563 3.496 3.696 . 0 0 "[ . 1 . 2]" 1
600 1 4 VAL HA 1 4 VAL HB 2.800 . 3.800 2.976 2.949 3.004 . 0 0 "[ . 1 . 2]" 1
601 1 4 VAL HA 1 4 VAL MG1 2.200 . 2.800 2.736 2.668 2.809 0.009 20 0 "[ . 1 . 2]" 1
602 1 42 TYR HA 1 42 TYR HB3 2.500 . 3.300 2.751 2.442 3.012 . 0 0 "[ . 1 . 2]" 1
603 1 20 TYR HA 1 20 TYR HB3 2.400 . 3.100 3.021 3.017 3.025 . 0 0 "[ . 1 . 2]" 1
604 1 20 TYR HA 1 20 TYR HB2 2.700 . 3.600 2.389 2.372 2.413 . 0 0 "[ . 1 . 2]" 1
605 1 54 THR HA 1 54 THR MG 2.700 . 3.600 2.251 2.005 2.595 . 0 0 "[ . 1 . 2]" 1
606 1 20 TYR HA 1 33 VAL MG2 2.600 . 3.400 2.330 2.121 2.517 . 0 0 "[ . 1 . 2]" 1
607 1 13 VAL HA 1 13 VAL MG1 2.600 . 3.400 2.481 2.392 2.544 . 0 0 "[ . 1 . 2]" 1
608 1 8 SER HA 1 8 SER HB2 2.400 . 3.100 2.888 2.393 3.013 . 0 0 "[ . 1 . 2]" 1
609 1 6 CYS HA 1 44 CYS HB3 2.900 . 4.500 4.566 4.395 4.649 0.149 3 0 "[ . 1 . 2]" 1
610 1 6 CYS HA 1 47 MET ME 2.400 . 4.500 4.041 3.357 4.420 . 0 0 "[ . 1 . 2]" 1
611 1 55 TRP HA 1 55 TRP QB 2.200 . 2.800 2.434 2.185 2.540 . 0 0 "[ . 1 . 2]" 1
612 1 53 GLU HA 1 53 GLU HG3 2.200 . 2.800 2.691 2.371 2.822 0.022 3 0 "[ . 1 . 2]" 1
613 1 41 ARG HA 1 41 ARG HB2 2.700 . 3.600 3.015 2.980 3.028 . 0 0 "[ . 1 . 2]" 1
614 1 11 LYS HA 1 11 LYS QB 2.200 . 2.800 2.529 2.515 2.537 . 0 0 "[ . 1 . 2]" 1
615 1 11 LYS HA 1 11 LYS HD2 2.500 . 3.300 2.325 1.936 2.677 . 0 0 "[ . 1 . 2]" 1
616 1 36 ASP HB3 1 37 LEU HA 3.300 . 4.700 3.960 3.818 4.284 . 0 0 "[ . 1 . 2]" 1
617 1 26 ASP HA 1 26 ASP HB2 2.400 . 3.100 2.770 2.484 3.026 . 0 0 "[ . 1 . 2]" 1
618 1 26 ASP H 1 27 GLY H 2.400 . 3.100 2.276 2.012 2.521 . 0 0 "[ . 1 . 2]" 1
619 1 17 PHE HA 1 20 TYR H 3.200 . 4.500 3.020 2.953 3.087 . 0 0 "[ . 1 . 2]" 1
620 1 19 GLU QB 1 20 TYR H 2.500 . 3.300 2.336 2.174 2.516 . 0 0 "[ . 1 . 2]" 1
621 1 20 TYR H 1 23 ARG HG2 2.000 . 4.500 4.566 4.509 4.825 0.325 10 0 "[ . 1 . 2]" 1
622 1 49 ILE H 1 49 ILE MD 2.600 . 4.500 3.587 3.412 3.694 . 0 0 "[ . 1 . 2]" 1
623 1 20 TYR H 1 33 VAL MG1 2.200 . 2.800 1.933 1.866 2.001 . 0 0 "[ . 1 . 2]" 1
624 1 20 TYR H 1 24 VAL MG2 3.100 . 4.300 4.252 4.201 4.304 0.004 4 0 "[ . 1 . 2]" 1
625 1 42 TYR HB2 1 43 CYS H 2.700 . 3.600 3.361 3.179 3.453 . 0 0 "[ . 1 . 2]" 1
626 1 21 GLN HG2 1 22 ARG H 2.400 . 3.100 2.309 2.045 2.508 . 0 0 "[ . 1 . 2]" 1
627 1 21 GLN HB3 1 22 ARG H 2.000 . 2.500 2.025 1.858 2.127 . 0 0 "[ . 1 . 2]" 1
628 1 43 CYS H 1 45 ARG HG2 2.400 . 4.500 3.823 3.703 3.938 . 0 0 "[ . 1 . 2]" 1
629 1 22 ARG H 1 22 ARG HA 2.600 . 3.400 2.648 2.508 2.698 . 0 0 "[ . 1 . 2]" 1
630 1 43 CYS HA 1 46 ARG H 3.200 . 4.500 4.045 3.934 4.100 . 0 0 "[ . 1 . 2]" 1
631 1 45 ARG HB3 1 46 ARG H 2.000 . 4.500 3.164 3.082 3.231 . 0 0 "[ . 1 . 2]" 1
632 1 43 CYS HA 1 44 CYS H 2.600 . 3.400 2.767 2.756 2.779 . 0 0 "[ . 1 . 2]" 1
633 1 42 TYR HB2 1 44 CYS H 3.000 . 4.100 3.795 3.685 3.958 . 0 0 "[ . 1 . 2]" 1
634 1 27 GLY H 1 27 GLY HA3 2.100 . 2.700 2.605 2.558 2.631 . 0 0 "[ . 1 . 2]" 1
635 1 33 VAL MG1 1 37 LEU H 2.700 . 3.600 2.650 2.605 2.714 . 0 0 "[ . 1 . 2]" 1
636 1 35 ASP HB3 1 36 ASP H 2.000 . 4.500 2.677 2.582 2.788 . 0 0 "[ . 1 . 2]" 1
637 1 31 LYS HA 1 34 LEU H 2.700 . 3.600 2.625 2.594 2.647 . 0 0 "[ . 1 . 2]" 1
638 1 33 VAL MG1 1 34 LEU H 2.700 . 3.600 2.743 2.689 2.822 . 0 0 "[ . 1 . 2]" 1
639 1 33 VAL MG2 1 34 LEU H 2.600 . 3.400 3.312 3.252 3.340 . 0 0 "[ . 1 . 2]" 1
640 1 33 VAL H 1 33 VAL MG1 2.900 . 4.000 3.588 3.573 3.612 . 0 0 "[ . 1 . 2]" 1
641 1 23 ARG HB2 1 33 VAL H 2.900 . 4.500 4.468 4.377 4.534 0.034 13 0 "[ . 1 . 2]" 1
642 1 30 PRO HB2 1 32 ASP H 3.200 . 4.500 4.317 4.256 4.388 . 0 0 "[ . 1 . 2]" 1
643 1 30 PRO HA 1 32 ASP H 4.100 . 5.500 3.340 3.308 3.375 . 0 0 "[ . 1 . 2]" 1
644 1 31 LYS H 1 33 VAL MG2 3.100 . 4.300 4.098 4.026 4.126 . 0 0 "[ . 1 . 2]" 1
645 1 29 ASP QB 1 31 LYS H 2.800 . 3.800 3.228 2.967 3.481 . 0 0 "[ . 1 . 2]" 1
646 1 30 PRO HA 1 31 LYS H 2.400 . 3.100 2.662 2.649 2.672 . 0 0 "[ . 1 . 2]" 1
647 1 24 VAL MG1 1 28 GLU H 3.100 . 4.300 3.898 3.748 4.220 . 0 0 "[ . 1 . 2]" 1
648 1 23 ARG HA 1 25 ALA H 3.200 . 4.500 3.295 3.253 3.356 . 0 0 "[ . 1 . 2]" 1
649 1 24 VAL H 1 24 VAL MG1 2.400 . 3.100 3.096 2.979 3.149 0.049 6 0 "[ . 1 . 2]" 1
650 1 4 VAL H 1 4 VAL MG2 2.400 . 3.100 2.852 2.654 3.181 0.081 20 0 "[ . 1 . 2]" 1
651 1 22 ARG QG 1 23 ARG H 2.000 . 4.500 3.333 2.940 3.766 . 0 0 "[ . 1 . 2]" 1
652 1 1 MET HB2 1 13 VAL H 2.600 . 4.500 4.383 3.942 5.186 0.686 7 1 "[ . + 1 . 2]" 1
653 1 12 PRO QB 1 13 VAL H 2.500 . 3.300 3.185 3.069 3.313 0.013 11 0 "[ . 1 . 2]" 1
654 1 19 GLU H 1 33 VAL MG1 3.100 . 4.300 4.170 3.865 4.300 . 0 0 "[ . 1 . 2]" 1
655 1 13 VAL HA 1 14 SER H 2.800 . 3.800 2.667 2.637 2.686 . 0 0 "[ . 1 . 2]" 1
656 1 4 VAL H 1 4 VAL HA 2.500 . 3.300 2.248 2.177 2.515 . 0 0 "[ . 1 . 2]" 1
657 1 22 ARG QB 1 23 ARG H 2.000 . 2.500 1.971 1.943 2.025 . 0 0 "[ . 1 . 2]" 1
658 1 33 VAL MG1 1 36 ASP H 3.500 . 5.000 3.577 3.548 3.614 . 0 0 "[ . 1 . 2]" 1
659 1 7 LEU QD 1 47 MET H 3.500 . 5.000 3.856 3.604 4.016 . 0 0 "[ . 1 . 2]" 1
660 1 22 ARG H 1 24 VAL MG2 3.300 . 4.700 4.647 4.517 4.706 0.006 7 0 "[ . 1 . 2]" 1
661 1 41 ARG QG 1 44 CYS H 4.100 . 5.500 5.018 4.606 5.167 . 0 0 "[ . 1 . 2]" 1
662 1 34 LEU HG 1 45 ARG H 4.300 . 5.500 5.190 4.869 5.505 0.005 11 0 "[ . 1 . 2]" 1
663 1 28 GLU HB2 1 33 VAL H 3.600 . 5.200 4.902 4.827 4.990 . 0 0 "[ . 1 . 2]" 1
664 1 27 GLY H 1 27 GLY HA2 2.500 . 3.300 2.366 2.323 2.478 . 0 0 "[ . 1 . 2]" 1
665 1 16 TYR HB3 1 16 TYR QD 2.200 . 2.800 2.211 2.162 2.252 . 0 0 "[ . 1 . 2]" 1
666 1 6 CYS HA 1 7 LEU HB3 2.600 . 4.500 4.616 4.559 4.802 0.302 6 0 "[ . 1 . 2]" 1
667 1 17 PHE HA 1 17 PHE HB3 2.200 . 2.800 2.413 2.356 2.486 . 0 0 "[ . 1 . 2]" 1
668 1 31 LYS HA 1 49 ILE HB 3.000 . 4.500 4.346 4.187 4.505 0.005 1 0 "[ . 1 . 2]" 1
669 1 20 TYR HA 1 33 VAL HB 2.300 . 3.000 2.444 2.310 2.599 . 0 0 "[ . 1 . 2]" 1
670 1 19 GLU QB 1 19 GLU QG 1.700 . 2.200 1.913 1.867 1.945 . 0 0 "[ . 1 . 2]" 1
671 1 7 LEU HB3 1 7 LEU QD 2.300 . 2.700 2.021 1.991 2.061 . 0 0 "[ . 1 . 2]" 1
672 1 2 ILE MD 1 7 LEU QD 2.200 . 2.800 2.211 1.781 2.487 . 0 0 "[ . 1 . 2]" 1
673 1 33 VAL HB 1 33 VAL MG2 2.000 . 2.500 1.760 1.752 1.767 . 0 0 "[ . 1 . 2]" 1
674 1 20 TYR H 1 37 LEU MD1 2.800 . 3.800 2.802 2.687 2.988 . 0 0 "[ . 1 . 2]" 1
675 1 20 TYR H 1 33 VAL MG1 2.800 . 3.800 2.463 2.273 2.554 . 0 0 "[ . 1 . 2]" 1
676 1 33 VAL H 1 33 VAL HA 2.800 . 3.800 2.619 2.603 2.641 . 0 0 "[ . 1 . 2]" 1
677 1 24 VAL HA 1 27 GLY H 2.900 . 4.000 2.866 2.721 3.017 . 0 0 "[ . 1 . 2]" 1
678 1 4 VAL H 1 4 VAL HA 2.500 . 3.300 2.329 2.187 2.755 . 0 0 "[ . 1 . 2]" 1
679 1 20 TYR H 1 20 TYR HA 2.700 . 3.600 2.670 2.621 2.728 . 0 0 "[ . 1 . 2]" 1
680 1 22 ARG H 1 22 ARG HA 2.400 . 3.100 2.669 2.622 2.714 . 0 0 "[ . 1 . 2]" 1
681 1 28 GLU H 1 28 GLU HA 2.100 . 2.700 2.345 2.082 2.794 0.094 19 0 "[ . 1 . 2]" 1
682 1 16 TYR QD 1 33 VAL MG1 2.800 . 4.500 4.270 4.157 4.401 . 0 0 "[ . 1 . 2]" 1
683 1 20 TYR HA 1 23 ARG HB2 2.400 . 3.100 2.188 2.106 2.247 . 0 0 "[ . 1 . 2]" 1
684 1 19 GLU HA 1 22 ARG QB 2.200 . 2.800 2.301 2.152 2.379 . 0 0 "[ . 1 . 2]" 1
685 1 43 CYS HA 1 43 CYS HB3 2.100 . 2.700 2.114 2.086 2.164 . 0 0 "[ . 1 . 2]" 1
686 1 8 SER HB2 1 44 CYS HB2 2.500 . 4.500 4.368 4.308 4.490 . 0 0 "[ . 1 . 2]" 1
687 1 24 VAL HA 1 30 PRO HG3 2.300 . 3.000 2.807 2.742 2.877 . 0 0 "[ . 1 . 2]" 1
688 1 31 LYS HA 1 34 LEU HG 3.000 . 4.100 2.869 2.708 3.145 . 0 0 "[ . 1 . 2]" 1
689 1 17 PHE HA 1 33 VAL MG1 2.500 . 4.500 3.700 3.338 3.866 . 0 0 "[ . 1 . 2]" 1
690 1 20 TYR HA 1 24 VAL MG2 2.400 . 3.100 2.648 2.424 2.904 . 0 0 "[ . 1 . 2]" 1
691 1 20 TYR HB2 1 30 PRO HA 2.600 . 4.500 4.521 4.493 4.569 0.069 9 0 "[ . 1 . 2]" 1
692 1 22 ARG HB2 1 22 ARG HG2 1.500 . 2.200 2.065 1.969 2.190 . 0 0 "[ . 1 . 2]" 1
693 1 16 TYR HB2 1 39 LEU MD1 2.600 . 4.500 4.207 4.022 4.445 . 0 0 "[ . 1 . 2]" 1
694 1 1 MET ME 1 7 LEU QD 2.000 . 2.500 1.983 1.853 2.006 . 0 0 "[ . 1 . 2]" 1
695 1 19 GLU QB 1 33 VAL MG1 2.000 . 2.500 1.997 1.703 2.101 . 0 0 "[ . 1 . 2]" 1
696 1 32 ASP HB3 1 33 VAL HA 2.600 . 3.400 3.419 3.265 3.519 0.119 7 0 "[ . 1 . 2]" 1
697 1 30 PRO HA 1 30 PRO HB2 2.400 . 3.100 2.403 2.274 2.587 . 0 0 "[ . 1 . 2]" 1
698 1 19 GLU HA 1 19 GLU QB 2.300 . 3.000 2.292 2.164 2.360 . 0 0 "[ . 1 . 2]" 1
699 1 22 ARG HA 1 22 ARG QB 2.100 . 2.700 2.281 2.237 2.356 . 0 0 "[ . 1 . 2]" 1
700 1 18 ASN HA 1 18 ASN QB 1.900 . 2.400 2.310 2.233 2.348 . 0 0 "[ . 1 . 2]" 1
701 1 23 ARG HG3 1 33 VAL MG2 2.300 . 3.000 2.690 1.906 2.963 . 0 0 "[ . 1 . 2]" 1
702 1 33 VAL MG1 1 37 LEU HG 2.100 . 2.700 1.797 1.777 1.831 . 0 0 "[ . 1 . 2]" 1
703 1 37 LEU MD1 1 45 ARG QG 2.200 . 4.500 4.505 4.372 4.721 0.221 11 0 "[ . 1 . 2]" 1
704 1 13 VAL MG2 1 37 LEU MD2 1.900 . 4.500 3.492 3.428 3.588 . 0 0 "[ . 1 . 2]" 1
705 1 34 LEU HA 1 34 LEU HB3 2.100 . 2.700 2.443 2.425 2.460 . 0 0 "[ . 1 . 2]" 1
706 1 7 LEU HA 1 7 LEU QD 2.400 . 3.100 1.851 1.810 1.958 . 0 0 "[ . 1 . 2]" 1
707 1 24 VAL MG1 1 24 VAL MG2 2.300 . 3.000 1.823 1.747 1.899 . 0 0 "[ . 1 . 2]" 1
708 1 11 LYS HD2 1 11 LYS HE3 2.000 . 2.500 1.926 1.867 2.006 . 0 0 "[ . 1 . 2]" 1
709 1 24 VAL MG1 1 30 PRO HB3 2.800 . 3.800 3.535 3.440 3.692 . 0 0 "[ . 1 . 2]" 1
710 1 18 ASN HA 1 18 ASN QB 2.000 . 2.500 2.345 2.251 2.391 . 0 0 "[ . 1 . 2]" 1
711 1 9 CYS HB2 1 10 GLY H 3.000 . 4.100 3.862 3.280 4.207 0.107 12 0 "[ . 1 . 2]" 1
712 1 30 PRO HA 1 30 PRO HB2 2.400 . 3.100 2.870 2.847 2.887 . 0 0 "[ . 1 . 2]" 1
713 1 41 ARG HB2 1 43 CYS HB3 2.400 . 4.500 4.341 3.845 4.510 0.010 14 0 "[ . 1 . 2]" 1
714 1 7 LEU QD 1 44 CYS QB 2.600 . 3.400 2.658 2.140 2.937 . 0 0 "[ . 1 . 2]" 1
715 1 33 VAL MG2 1 37 LEU MD2 2.300 . 4.500 4.533 4.236 4.628 0.128 8 0 "[ . 1 . 2]" 1
716 1 2 ILE MD 1 7 LEU QD 2.000 . 2.500 1.929 1.698 2.039 . 0 0 "[ . 1 . 2]" 1
717 1 16 TYR QD 1 39 LEU MD1 3.200 . 4.500 4.513 4.467 4.604 0.104 11 0 "[ . 1 . 2]" 1
718 1 7 LEU QD 1 45 ARG HA 2.600 . 4.500 4.420 4.100 4.522 0.022 8 0 "[ . 1 . 2]" 1
719 1 6 CYS HA 1 47 MET ME 3.000 . 4.100 3.673 3.261 3.843 . 0 0 "[ . 1 . 2]" 1
720 1 2 ILE QG 1 47 MET ME 1.900 . 4.500 3.984 3.068 4.372 . 0 0 "[ . 1 . 2]" 1
721 1 13 VAL HA 1 15 ALA MB 3.300 . 4.700 4.401 4.122 4.612 . 0 0 "[ . 1 . 2]" 1
722 1 19 GLU QB 1 33 VAL MG1 2.600 . 3.400 2.168 1.744 2.284 0.056 8 0 "[ . 1 . 2]" 1
723 1 22 ARG HG2 1 23 ARG HA 2.400 . 3.100 3.212 2.055 3.500 0.400 8 0 "[ . 1 . 2]" 1
724 1 20 TYR HB2 1 52 VAL MG1 2.800 . 3.800 3.761 3.489 3.845 0.045 8 0 "[ . 1 . 2]" 1
725 1 31 LYS QD 1 31 LYS HG2 1.500 . 2.200 1.998 1.914 2.090 . 0 0 "[ . 1 . 2]" 1
726 1 32 ASP HB3 1 33 VAL H 2.500 . 3.300 2.501 2.428 2.627 . 0 0 "[ . 1 . 2]" 1
727 1 7 LEU QD 1 48 LEU MD2 2.400 . 4.500 1.678 1.651 1.783 . 0 0 "[ . 1 . 2]" 1
728 1 20 TYR HB2 1 20 TYR QD 2.600 . 3.400 2.157 1.976 2.219 . 0 0 "[ . 1 . 2]" 1
729 1 20 TYR HB2 1 20 TYR QD 2.600 . 3.400 1.888 1.848 1.937 . 0 0 "[ . 1 . 2]" 1
730 1 20 TYR QD 1 33 VAL MG1 2.100 . 2.700 2.635 2.488 2.740 0.040 8 0 "[ . 1 . 2]" 1
731 1 20 TYR QE 1 24 VAL MG1 2.200 . 2.800 2.414 2.176 2.623 . 0 0 "[ . 1 . 2]" 1
732 1 16 TYR HB3 1 16 TYR QD 2.200 . 2.800 2.053 1.995 2.127 . 0 0 "[ . 1 . 2]" 1
733 1 1 MET HB2 1 7 LEU QD 2.500 . 4.500 3.452 3.014 4.366 . 0 0 "[ . 1 . 2]" 1
734 1 4 VAL MG1 1 47 MET ME 2.300 . 4.500 4.490 4.385 4.531 0.031 7 0 "[ . 1 . 2]" 1
735 1 7 LEU HB3 1 7 LEU QD 2.000 . 4.500 2.420 2.366 2.473 . 0 0 "[ . 1 . 2]" 1
736 1 2 ILE MG 1 7 LEU HG 2.600 . 4.500 3.808 3.539 4.209 . 0 0 "[ . 1 . 2]" 1
737 1 4 VAL MG1 1 5 ARG HB2 2.200 . 2.800 2.339 2.158 2.463 . 0 0 "[ . 1 . 2]" 1
738 1 24 VAL MG1 1 54 THR MG 2.600 . 3.400 3.315 2.820 3.386 . 0 0 "[ . 1 . 2]" 1
739 1 2 ILE HB 1 47 MET ME 1.900 . 4.500 3.791 3.559 4.056 . 0 0 "[ . 1 . 2]" 1
740 1 4 VAL HB 1 5 ARG HB2 1.800 . 4.500 3.586 3.298 3.790 . 0 0 "[ . 1 . 2]" 1
741 1 11 LYS HD3 1 11 LYS QG 2.200 . 2.800 2.009 1.909 2.156 . 0 0 "[ . 1 . 2]" 1
742 1 31 LYS QG 1 45 ARG HB2 2.400 . 4.500 4.043 3.948 4.207 . 0 0 "[ . 1 . 2]" 1
743 1 13 VAL MG2 1 39 LEU HB2 2.400 . 4.500 4.527 3.909 4.839 0.339 12 0 "[ . 1 . 2]" 1
744 1 13 VAL MG2 1 52 VAL MG2 2.100 . 4.500 3.547 3.489 3.654 . 0 0 "[ . 1 . 2]" 1
745 1 30 PRO HB2 1 49 ILE QG 2.500 . 4.500 4.258 3.908 4.377 . 0 0 "[ . 1 . 2]" 1
746 1 2 ILE QG 1 7 LEU QD 1.900 . 4.500 3.078 1.859 3.676 . 0 0 "[ . 1 . 2]" 1
747 1 7 LEU QD 1 47 MET ME 2.000 . 2.500 1.831 1.630 2.018 . 0 0 "[ . 1 . 2]" 1
748 1 37 LEU MD1 1 45 ARG HB3 1.900 . 4.500 3.889 3.613 4.163 . 0 0 "[ . 1 . 2]" 1
749 1 7 LEU QD 1 47 MET QB 2.200 . 4.500 2.680 2.301 2.936 . 0 0 "[ . 1 . 2]" 1
750 1 7 LEU HB3 1 52 VAL MG2 2.000 . 4.500 4.014 3.944 4.135 . 0 0 "[ . 1 . 2]" 1
751 1 28 GLU HB2 1 33 VAL MG2 1.900 . 4.500 3.171 3.073 3.285 . 0 0 "[ . 1 . 2]" 1
752 1 24 VAL MG1 1 25 ALA MB 2.300 . 4.500 4.331 4.263 4.501 0.001 10 0 "[ . 1 . 2]" 1
753 1 13 VAL MG2 1 48 LEU HG 2.200 . 4.500 3.756 3.553 3.969 . 0 0 "[ . 1 . 2]" 1
754 1 1 MET ME 1 48 LEU MD2 2.400 . 4.500 3.888 3.677 4.097 . 0 0 "[ . 1 . 2]" 1
755 1 11 LYS QB 1 13 VAL MG1 2.100 . 4.500 3.387 3.035 3.571 . 0 0 "[ . 1 . 2]" 1
756 1 2 ILE HA 1 7 LEU HB2 2.400 . 4.500 4.379 3.248 4.546 0.046 20 0 "[ . 1 . 2]" 1
757 1 2 ILE HA 1 7 LEU HB3 2.200 . 4.500 4.584 4.364 4.837 0.337 4 0 "[ . 1 . 2]" 1
758 1 7 LEU HA 1 7 LEU QD 2.400 . 3.100 1.844 1.803 1.947 . 0 0 "[ . 1 . 2]" 1
759 1 30 PRO HD2 1 31 LYS HB2 2.500 . 4.500 3.898 3.687 4.072 . 0 0 "[ . 1 . 2]" 1
760 1 4 VAL HA 1 4 VAL MG2 2.000 . 2.500 1.769 1.706 1.879 . 0 0 "[ . 1 . 2]" 1
761 1 4 VAL HA 1 4 VAL MG1 2.600 . 3.400 2.443 2.405 2.481 . 0 0 "[ . 1 . 2]" 1
762 1 4 VAL HA 1 4 VAL HB 2.600 . 3.400 2.615 2.406 2.702 . 0 0 "[ . 1 . 2]" 1
763 1 22 ARG HA 1 22 ARG HG2 2.400 . 3.100 2.421 1.838 2.868 . 0 0 "[ . 1 . 2]" 1
764 1 8 SER HB2 1 11 LYS HB2 2.200 . 4.500 4.097 3.998 4.201 . 0 0 "[ . 1 . 2]" 1
765 1 21 GLN HG2 1 22 ARG HA 2.700 . 3.600 3.326 2.893 3.525 . 0 0 "[ . 1 . 2]" 1
766 1 1 MET ME 1 2 ILE HA 2.700 . 4.500 3.981 3.425 4.351 . 0 0 "[ . 1 . 2]" 1
767 1 19 GLU QB 1 37 LEU HA 2.100 . 4.500 3.516 3.324 3.647 . 0 0 "[ . 1 . 2]" 1
768 1 2 ILE HA 1 7 LEU QD 2.200 . 4.500 3.420 2.631 3.593 . 0 0 "[ . 1 . 2]" 1
769 1 47 MET HA 1 47 MET QB 2.300 . 3.000 2.137 2.014 2.270 . 0 0 "[ . 1 . 2]" 1
770 1 20 TYR HB3 1 33 VAL MG1 2.300 . 3.000 3.013 2.977 3.038 0.038 17 0 "[ . 1 . 2]" 1
771 1 13 VAL MG1 1 16 TYR HB2 2.200 . 4.500 3.171 2.934 3.264 . 0 0 "[ . 1 . 2]" 1
772 1 5 ARG HA 1 5 ARG HD3 2.400 . 3.100 2.558 1.994 2.907 . 0 0 "[ . 1 . 2]" 1
773 1 9 CYS HB2 1 10 GLY HA3 2.300 . 4.500 4.137 3.394 4.805 0.305 2 0 "[ . 1 . 2]" 1
774 1 19 GLU QB 1 33 VAL MG2 2.400 . 4.500 3.464 3.239 3.686 . 0 0 "[ . 1 . 2]" 1
775 1 23 ARG HB2 1 33 VAL MG2 2.000 . 2.500 1.874 1.814 1.979 . 0 0 "[ . 1 . 2]" 1
776 1 45 ARG HB2 1 49 ILE MG 2.300 . 3.000 2.109 2.045 2.141 . 0 0 "[ . 1 . 2]" 1
777 1 2 ILE MD 1 53 GLU QB 2.100 . 4.500 3.269 2.345 3.842 . 0 0 "[ . 1 . 2]" 1
778 1 47 MET HA 1 51 HIS QB 2.200 . 4.500 3.963 3.420 4.320 . 0 0 "[ . 1 . 2]" 1
779 1 2 ILE HB 1 3 PRO HA 2.400 . 4.500 4.049 3.916 4.194 . 0 0 "[ . 1 . 2]" 1
780 1 42 TYR HA 1 43 CYS HB3 2.900 . 4.500 4.556 4.491 4.687 0.187 2 0 "[ . 1 . 2]" 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 6
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 25.777
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0230
_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 6 CYS 0.615 0.073 3 0 "[ . 1 . 2]"
1 9 CYS 0.445 0.073 3 0 "[ . 1 . 2]"
1 43 CYS 0.734 0.089 5 0 "[ . 1 . 2]"
1 44 CYS 0.783 0.089 5 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 6 CYS SG 1 9 CYS SG 3.800 3.600 4.000 3.846 3.582 4.073 0.073 3 0 "[ . 1 . 2]" 2
2 1 6 CYS SG 1 43 CYS SG 3.800 3.600 4.000 3.634 3.574 3.814 0.026 7 0 "[ . 1 . 2]" 2
3 1 6 CYS SG 1 44 CYS SG 3.800 3.600 4.000 3.837 3.543 4.063 0.063 7 0 "[ . 1 . 2]" 2
4 1 9 CYS SG 1 43 CYS SG 3.800 3.600 4.000 3.796 3.575 4.029 0.029 7 0 "[ . 1 . 2]" 2
5 1 9 CYS SG 1 44 CYS SG 3.800 3.600 4.000 3.740 3.572 3.957 0.028 4 0 "[ . 1 . 2]" 2
6 1 43 CYS SG 1 44 CYS SG 3.800 3.600 4.000 3.577 3.511 3.621 0.089 5 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 13.672
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0165
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0342
_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 6 CYS 0.316 0.054 10 0 "[ . 1 . 2]"
1 9 CYS 0.072 0.041 13 0 "[ . 1 . 2]"
1 43 CYS 0.115 0.050 13 0 "[ . 1 . 2]"
1 44 CYS 0.181 0.054 2 0 "[ . 1 . 2]"
2 1 ZN 0.684 0.054 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 CYS SG 2 1 ZN ZN 2.350 2.250 2.450 2.268 2.196 2.395 0.054 10 0 "[ . 1 . 2]" 3
2 1 9 CYS SG 2 1 ZN ZN 2.350 2.250 2.450 2.318 2.209 2.403 0.041 13 0 "[ . 1 . 2]" 3
3 1 43 CYS SG 2 1 ZN ZN 2.350 2.250 2.450 2.299 2.200 2.395 0.050 13 0 "[ . 1 . 2]" 3
4 1 44 CYS SG 2 1 ZN ZN 2.350 2.250 2.450 2.305 2.196 2.397 0.054 2 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 60
_Distance_constraint_stats_list.Viol_total 38.606
_Distance_constraint_stats_list.Viol_max 0.110
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_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 16 TYR 0.837 0.110 17 0 "[ . 1 . 2]"
1 17 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 0.837 0.110 17 0 "[ . 1 . 2]"
1 21 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.021 0.021 17 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 0.021 0.021 17 0 "[ . 1 . 2]"
1 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.309 0.037 12 0 "[ . 1 . 2]"
1 32 ASP 0.764 0.082 11 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.309 0.037 12 0 "[ . 1 . 2]"
1 36 ASP 0.764 0.082 11 0 "[ . 1 . 2]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.000 0.000 . 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 30 PRO O 1 34 LEU H 1.800 . 2.500 1.778 1.721 1.852 . 0 0 "[ . 1 . 2]" 4
2 1 30 PRO O 1 34 LEU N 2.800 2.500 3.500 2.701 2.650 2.754 . 0 0 "[ . 1 . 2]" 4
3 1 20 TYR O 1 24 VAL H 1.800 . 2.500 1.800 1.694 1.980 . 0 0 "[ . 1 . 2]" 4
4 1 20 TYR O 1 24 VAL N 2.800 2.500 3.500 2.679 2.531 2.872 . 0 0 "[ . 1 . 2]" 4
5 1 45 ARG O 1 49 ILE H 1.800 . 2.500 1.890 1.716 2.020 . 0 0 "[ . 1 . 2]" 4
6 1 45 ARG O 1 49 ILE N 2.800 2.500 3.500 2.611 2.519 2.729 . 0 0 "[ . 1 . 2]" 4
7 1 16 TYR O 1 20 TYR H 1.800 . 2.500 2.541 2.520 2.610 0.110 17 0 "[ . 1 . 2]" 4
8 1 16 TYR O 1 20 TYR N 2.800 2.500 3.500 3.442 3.413 3.507 0.007 17 0 "[ . 1 . 2]" 4
9 1 19 GLU O 1 23 ARG H 1.800 . 2.500 1.806 1.666 2.043 . 0 0 "[ . 1 . 2]" 4
10 1 19 GLU O 1 23 ARG N 2.800 2.500 3.500 2.774 2.634 3.019 . 0 0 "[ . 1 . 2]" 4
11 1 21 GLN O 1 25 ALA H 1.800 . 2.500 1.909 1.746 2.202 . 0 0 "[ . 1 . 2]" 4
12 1 21 GLN O 1 25 ALA N 2.800 2.500 3.500 2.699 2.517 2.945 . 0 0 "[ . 1 . 2]" 4
13 1 22 ARG O 1 26 ASP H 1.800 . 2.500 2.286 2.023 2.521 0.021 17 0 "[ . 1 . 2]" 4
14 1 22 ARG O 1 26 ASP N 2.800 2.500 3.500 3.221 2.995 3.481 . 0 0 "[ . 1 . 2]" 4
15 1 18 ASN O 1 22 ARG H 1.800 . 2.500 1.838 1.583 2.058 . 0 0 "[ . 1 . 2]" 4
16 1 18 ASN O 1 22 ARG N 2.800 2.500 3.500 2.796 2.530 3.028 . 0 0 "[ . 1 . 2]" 4
17 1 17 PHE O 1 21 GLN H 1.800 . 2.500 1.935 1.662 2.174 . 0 0 "[ . 1 . 2]" 4
18 1 17 PHE O 1 21 GLN N 2.800 2.500 3.500 2.899 2.630 3.132 . 0 0 "[ . 1 . 2]" 4
19 1 31 LYS O 1 35 ASP H 1.800 . 2.500 2.513 2.454 2.537 0.037 12 0 "[ . 1 . 2]" 4
20 1 31 LYS O 1 35 ASP N 2.800 2.500 3.500 3.382 3.309 3.431 . 0 0 "[ . 1 . 2]" 4
21 1 32 ASP O 1 36 ASP H 1.800 . 2.500 2.538 2.515 2.582 0.082 11 0 "[ . 1 . 2]" 4
22 1 32 ASP O 1 36 ASP N 2.800 2.500 3.500 3.355 3.320 3.412 . 0 0 "[ . 1 . 2]" 4
stop_
save_
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