NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394882 |
1rf8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rf8
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 122
_Distance_constraint_stats_list.Viol_count 58
_Distance_constraint_stats_list.Viol_total 57.598
_Distance_constraint_stats_list.Viol_max 0.324
_Distance_constraint_stats_list.Viol_rms 0.0235
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0903
_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
2 21 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 22 THR 0.000 0.000 . 0 "[ . 1 ]"
2 23 VAL 0.666 0.193 4 0 "[ . 1 ]"
2 24 SER 0.000 0.000 . 0 "[ . 1 ]"
2 26 ILE 0.160 0.154 11 0 "[ . 1 ]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 29 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 30 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 36 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 37 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 39 VAL 0.311 0.085 2 0 "[ . 1 ]"
2 40 PHE 0.791 0.107 10 0 "[ . 1 ]"
2 41 SER 0.000 0.000 . 0 "[ . 1 ]"
2 42 PHE 1.035 0.203 11 0 "[ . 1 ]"
2 44 TYR 1.035 0.203 11 0 "[ . 1 ]"
2 47 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 48 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 49 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 50 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 52 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 53 ILE 0.691 0.107 10 0 "[ . 1 ]"
2 54 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 56 LYS 0.559 0.324 11 0 "[ . 1 ]"
2 57 LYS 1.766 0.237 6 0 "[ . 1 ]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 60 VAL 2.325 0.324 11 0 "[ . 1 ]"
2 62 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 63 THR 0.000 0.000 . 0 "[ . 1 ]"
2 64 TYR 0.211 0.085 2 0 "[ . 1 ]"
2 65 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 68 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 69 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 71 GLN 0.000 0.000 . 0 "[ . 1 ]"
2 72 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 76 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 78 VAL 0.801 0.193 4 0 "[ . 1 ]"
2 79 LYS 0.025 0.025 10 0 "[ . 1 ]"
2 80 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 82 ALA 0.047 0.047 11 0 "[ . 1 ]"
2 84 TRP 0.047 0.047 11 0 "[ . 1 ]"
2 88 THR 0.000 0.000 . 0 "[ . 1 ]"
2 92 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 93 VAL 0.000 0.000 . 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 2 36 ILE MD 2 39 VAL MG1 5.000 . 6.000 3.989 3.696 4.221 . 0 0 "[ . 1 ]" 1
2 2 23 VAL MG2 2 78 VAL MG2 5.000 . 6.000 1.925 1.607 2.485 0.193 4 0 "[ . 1 ]" 1
3 2 23 VAL MG1 2 78 VAL MG2 6.000 . 7.000 2.841 1.774 3.863 0.026 9 0 "[ . 1 ]" 1
4 2 23 VAL MG2 2 78 VAL MG1 6.000 . 7.000 3.148 2.788 3.466 . 0 0 "[ . 1 ]" 1
5 2 76 LEU MD2 2 78 VAL MG1 5.000 . 6.000 4.051 3.586 4.202 . 0 0 "[ . 1 ]" 1
6 2 26 ILE MD 2 78 VAL MG1 5.000 . 6.000 2.435 1.646 3.138 0.154 11 0 "[ . 1 ]" 1
7 2 26 ILE MD 2 76 LEU MD1 5.000 . 6.000 3.765 3.317 4.080 . 0 0 "[ . 1 ]" 1
8 2 26 ILE MD 2 76 LEU MD2 4.000 . 5.000 2.927 2.448 3.475 . 0 0 "[ . 1 ]" 1
9 2 36 ILE MG 2 92 ILE MD 4.000 . 5.000 2.662 1.842 3.386 . 0 0 "[ . 1 ]" 1
10 2 23 VAL MG2 2 78 VAL H 5.000 . 5.500 4.553 4.348 4.665 . 0 0 "[ . 1 ]" 1
11 2 22 THR H 2 78 VAL MG1 5.000 . 5.500 3.034 2.684 3.442 . 0 0 "[ . 1 ]" 1
12 2 22 THR H 2 78 VAL MG2 6.000 . 6.500 5.415 5.314 5.454 . 0 0 "[ . 1 ]" 1
13 2 23 VAL MG2 2 79 LYS H 5.000 . 5.500 2.600 1.775 4.699 0.025 10 0 "[ . 1 ]" 1
14 2 23 VAL MG2 2 80 ALA H 5.000 . 5.500 2.700 2.079 4.100 . 0 0 "[ . 1 ]" 1
15 2 76 LEU MD1 2 80 ALA H 6.000 . 6.500 5.426 5.187 5.474 . 0 0 "[ . 1 ]" 1
16 2 39 VAL MG2 2 63 THR H 4.000 . 4.500 2.905 2.437 3.290 . 0 0 "[ . 1 ]" 1
17 2 39 VAL MG1 2 63 THR H 5.000 . 5.500 4.583 4.359 4.659 . 0 0 "[ . 1 ]" 1
18 2 36 ILE MD 2 39 VAL H 7.000 . 7.500 4.113 3.856 4.713 . 0 0 "[ . 1 ]" 1
19 2 23 VAL MG2 2 24 SER H 5.000 . 5.500 3.707 3.413 4.039 . 0 0 "[ . 1 ]" 1
20 2 23 VAL MG1 2 24 SER H 6.000 . 6.500 3.747 3.145 4.096 . 0 0 "[ . 1 ]" 1
21 2 23 VAL MG1 2 27 LEU H 6.000 . 6.500 3.563 3.100 3.999 . 0 0 "[ . 1 ]" 1
22 2 29 VAL MG2 2 30 LEU H 4.000 . 4.500 2.654 1.862 3.782 . 0 0 "[ . 1 ]" 1
23 2 29 VAL MG1 2 30 LEU H 6.000 . 6.500 3.563 3.378 3.737 . 0 0 "[ . 1 ]" 1
24 2 39 VAL MG2 2 40 PHE H 3.500 . 4.000 1.797 1.757 1.823 0.043 2 0 "[ . 1 ]" 1
25 2 39 VAL MG1 2 40 PHE H 4.000 . 4.500 3.636 3.556 3.781 . 0 0 "[ . 1 ]" 1
26 2 39 VAL MG2 2 41 SER H 4.000 . 4.500 3.301 3.118 3.575 . 0 0 "[ . 1 ]" 1
27 2 39 VAL MG1 2 41 SER H 5.000 . 5.500 4.823 4.808 4.848 . 0 0 "[ . 1 ]" 1
28 2 39 VAL MG2 2 42 PHE H 5.000 . 5.500 4.837 4.759 4.899 . 0 0 "[ . 1 ]" 1
29 2 39 VAL MG1 2 42 PHE H 6.000 . 6.500 5.148 4.771 5.425 . 0 0 "[ . 1 ]" 1
30 2 47 GLY H 2 48 ILE MD 5.000 . 5.500 4.281 3.675 4.626 . 0 0 "[ . 1 ]" 1
31 2 53 ILE MD 2 54 LYS H 5.000 . 5.500 3.367 3.132 4.061 . 0 0 "[ . 1 ]" 1
32 2 56 LYS H 2 56 LYS HD3 5.000 . 5.500 4.891 4.319 5.386 . 0 0 "[ . 1 ]" 1
33 2 36 ILE MD 2 42 PHE QD 5.000 . 5.500 3.035 2.543 3.340 . 0 0 "[ . 1 ]" 1
34 2 36 ILE MD 2 42 PHE QE 5.000 . 5.500 2.083 1.831 2.454 . 0 0 "[ . 1 ]" 1
35 2 36 ILE MD 2 42 PHE HZ 6.000 . 6.500 2.308 1.852 2.729 . 0 0 "[ . 1 ]" 1
36 2 36 ILE QG 2 42 PHE QD 4.000 . 4.500 2.425 1.946 2.784 . 0 0 "[ . 1 ]" 1
37 2 36 ILE QG 2 42 PHE QE 5.000 . 5.500 2.050 1.817 2.579 . 0 0 "[ . 1 ]" 1
38 2 36 ILE MD 2 44 TYR QE 6.000 . 6.500 4.817 4.597 4.911 . 0 0 "[ . 1 ]" 1
39 2 44 TYR QE 2 48 ILE MD 5.000 . 5.500 3.671 3.258 3.948 . 0 0 "[ . 1 ]" 1
40 2 40 PHE QD 2 52 ASP HA 4.000 . 4.500 3.386 3.112 4.043 . 0 0 "[ . 1 ]" 1
41 2 40 PHE QE 2 52 ASP HA 4.000 . 4.500 3.752 3.562 4.190 . 0 0 "[ . 1 ]" 1
42 2 40 PHE HZ 2 52 ASP HA 6.000 . 6.500 5.031 4.702 6.036 . 0 0 "[ . 1 ]" 1
43 2 40 PHE QD 2 53 ILE HA 6.000 . 6.500 5.799 5.699 5.909 . 0 0 "[ . 1 ]" 1
44 2 40 PHE HZ 2 53 ILE HA 5.000 . 5.500 5.470 4.480 5.607 0.107 10 0 "[ . 1 ]" 1
45 2 40 PHE QD 2 53 ILE HB 5.000 . 5.500 4.895 4.671 4.995 . 0 0 "[ . 1 ]" 1
46 2 40 PHE QE 2 53 ILE HB 5.000 . 5.500 2.685 2.387 2.831 . 0 0 "[ . 1 ]" 1
47 2 40 PHE QD 2 53 ILE QG 4.000 . 4.500 2.926 2.798 3.295 . 0 0 "[ . 1 ]" 1
48 2 40 PHE QE 2 53 ILE QG 4.000 . 4.500 1.838 1.797 1.861 0.003 11 0 "[ . 1 ]" 1
49 2 40 PHE QD 2 53 ILE MD 4.000 . 4.500 3.367 3.327 3.387 . 0 0 "[ . 1 ]" 1
50 2 40 PHE QE 2 53 ILE MD 4.000 . 4.500 2.535 2.359 2.715 . 0 0 "[ . 1 ]" 1
51 2 40 PHE HZ 2 63 THR MG 5.000 . 5.500 4.147 3.267 4.591 . 0 0 "[ . 1 ]" 1
52 2 40 PHE HZ 2 63 THR HB 6.000 . 6.500 3.969 2.609 5.842 . 0 0 "[ . 1 ]" 1
53 2 23 VAL MG1 2 84 TRP HD1 4.000 . 4.500 3.141 2.803 3.756 . 0 0 "[ . 1 ]" 1
54 2 23 VAL MG2 2 84 TRP HD1 5.000 . 5.500 4.245 3.732 4.901 . 0 0 "[ . 1 ]" 1
55 2 68 PHE QE 2 69 LEU MD2 4.000 . 4.500 3.209 2.533 3.362 . 0 0 "[ . 1 ]" 1
56 2 68 PHE QD 2 69 LEU MD2 5.000 . 5.500 3.401 2.974 3.864 . 0 0 "[ . 1 ]" 1
57 2 69 LEU MD2 2 72 PHE QD 5.000 . 5.500 4.008 3.787 4.124 . 0 0 "[ . 1 ]" 1
58 2 72 PHE HZ 2 76 LEU MD2 6.000 . 6.500 4.975 4.668 5.364 . 0 0 "[ . 1 ]" 1
59 2 72 PHE QE 2 76 LEU MD2 5.000 . 5.500 3.457 3.048 4.063 . 0 0 "[ . 1 ]" 1
60 2 72 PHE QD 2 76 LEU MD2 5.000 . 5.500 2.983 2.734 3.480 . 0 0 "[ . 1 ]" 1
61 2 72 PHE QD 2 76 LEU MD1 4.000 . 4.500 2.974 2.502 3.375 . 0 0 "[ . 1 ]" 1
62 2 72 PHE QE 2 76 LEU MD1 5.000 . 5.500 3.988 3.754 4.128 . 0 0 "[ . 1 ]" 1
63 2 39 VAL MG2 2 40 PHE QE 5.000 . 5.500 2.630 2.104 3.361 . 0 0 "[ . 1 ]" 1
64 2 39 VAL MG2 2 40 PHE QD 6.000 . 6.500 2.442 1.960 2.957 . 0 0 "[ . 1 ]" 1
65 2 39 VAL MG2 2 40 PHE HZ 6.000 . 6.500 3.878 3.172 4.407 . 0 0 "[ . 1 ]" 1
66 2 39 VAL MG1 2 44 TYR QE 5.000 . 5.500 3.263 2.145 4.090 . 0 0 "[ . 1 ]" 1
67 2 39 VAL MG2 2 64 TYR QD 5.000 . 5.500 2.432 1.869 3.338 . 0 0 "[ . 1 ]" 1
68 2 39 VAL MG1 2 64 TYR QD 4.000 . 4.500 2.391 2.196 2.531 . 0 0 "[ . 1 ]" 1
69 2 39 VAL MG1 2 64 TYR QE 5.000 . 5.500 2.380 2.036 2.592 . 0 0 "[ . 1 ]" 1
70 2 39 VAL MG2 2 64 TYR QE 5.000 . 5.500 1.972 1.715 2.498 0.085 2 0 "[ . 1 ]" 1
71 2 39 VAL HA 2 64 TYR QD 5.000 . 5.500 5.068 4.997 5.149 . 0 0 "[ . 1 ]" 1
72 2 40 PHE QE 2 64 TYR HA 5.000 . 5.500 4.165 3.547 4.598 . 0 0 "[ . 1 ]" 1
73 2 42 PHE QD 2 44 TYR QD 5.000 . 5.500 1.913 1.777 2.047 0.023 11 0 "[ . 1 ]" 1
74 2 42 PHE QD 2 44 TYR QE 5.000 . 5.500 2.817 2.272 3.163 . 0 0 "[ . 1 ]" 1
75 2 42 PHE QE 2 44 TYR QD 5.000 . 5.500 2.563 1.873 3.120 . 0 0 "[ . 1 ]" 1
76 2 42 PHE QE 2 44 TYR QE 5.000 . 5.500 2.141 1.835 3.034 . 0 0 "[ . 1 ]" 1
77 2 68 PHE HZ 2 72 PHE HZ 5.000 . 5.500 4.520 4.144 5.105 . 0 0 "[ . 1 ]" 1
78 2 68 PHE QE 2 72 PHE HZ 5.000 . 5.500 4.895 4.658 4.972 . 0 0 "[ . 1 ]" 1
79 2 68 PHE HZ 2 72 PHE QE 5.000 . 5.500 2.723 2.315 3.337 . 0 0 "[ . 1 ]" 1
80 2 68 PHE QE 2 72 PHE QE 4.000 . 4.500 3.527 3.334 3.601 . 0 0 "[ . 1 ]" 1
81 2 62 TYR HA 2 64 TYR QE 2.500 . 3.000 2.572 2.025 2.784 . 0 0 "[ . 1 ]" 1
82 2 62 TYR HA 2 64 TYR QD 4.000 . 4.500 3.887 3.445 4.076 . 0 0 "[ . 1 ]" 1
83 2 40 PHE QE 2 64 TYR QD 5.000 . 5.500 4.106 2.967 4.444 . 0 0 "[ . 1 ]" 1
84 2 44 TYR QE 2 68 PHE QE 5.000 . 5.500 2.607 2.417 2.795 . 0 0 "[ . 1 ]" 1
85 2 44 TYR QD 2 68 PHE HZ 5.000 . 5.500 4.658 4.103 4.938 . 0 0 "[ . 1 ]" 1
86 2 64 TYR QD 2 69 LEU HA 5.000 . 5.500 4.324 3.559 4.928 . 0 0 "[ . 1 ]" 1
87 2 39 VAL H 2 64 TYR QE 4.000 . 4.500 3.378 2.909 3.710 . 0 0 "[ . 1 ]" 1
88 2 39 VAL H 2 64 TYR QD 5.000 . 5.500 4.777 4.276 5.025 . 0 0 "[ . 1 ]" 1
89 2 49 GLU H 2 71 GLN QE 4.000 . 4.500 3.755 3.446 4.030 . 0 0 "[ . 1 ]" 1
90 2 50 GLY H 2 68 PHE QE 5.000 . 5.500 4.825 4.466 4.984 . 0 0 "[ . 1 ]" 1
91 2 42 PHE QD 2 50 GLY H 6.000 . 6.500 5.833 5.805 5.872 . 0 0 "[ . 1 ]" 1
92 2 44 TYR QD 2 50 GLY H 5.000 . 5.500 3.324 2.887 3.625 . 0 0 "[ . 1 ]" 1
93 2 53 ILE MD 2 71 GLN QE 5.000 . 5.500 4.132 4.115 4.164 . 0 0 "[ . 1 ]" 1
94 2 56 LYS HA 2 60 VAL H 5.000 . 5.500 4.992 4.166 5.824 0.324 11 0 "[ . 1 ]" 1
95 2 57 LYS HA 2 60 VAL H 5.000 . 5.500 5.661 5.528 5.737 0.237 6 0 "[ . 1 ]" 1
96 2 40 PHE HZ 2 56 LYS H 5.000 . 5.500 4.870 4.550 5.257 . 0 0 "[ . 1 ]" 1
97 2 64 TYR H 2 69 LEU MD1 5.000 . 5.500 3.731 3.372 4.426 . 0 0 "[ . 1 ]" 1
98 2 64 TYR H 2 69 LEU MD2 6.000 . 6.500 5.004 4.495 5.433 . 0 0 "[ . 1 ]" 1
99 2 36 ILE MG 2 92 ILE H 5.000 . 5.500 4.576 4.444 4.645 . 0 0 "[ . 1 ]" 1
100 2 36 ILE MG 2 93 VAL H 5.000 . 5.500 4.670 4.626 4.731 . 0 0 "[ . 1 ]" 1
101 2 21 ASN HD21 2 78 VAL MG1 5.000 . 5.500 3.142 2.294 3.650 . 0 0 "[ . 1 ]" 1
102 2 21 ASN HD22 2 78 VAL MG1 5.000 . 5.500 4.318 3.621 4.577 . 0 0 "[ . 1 ]" 1
103 2 36 ILE QG 2 39 VAL H 6.000 . 6.500 3.967 3.803 4.066 . 0 0 "[ . 1 ]" 1
104 2 36 ILE QG 2 41 SER H 5.000 . 5.500 5.148 5.058 5.223 . 0 0 "[ . 1 ]" 1
105 2 36 ILE QG 2 42 PHE H 5.000 . 5.500 4.791 4.349 4.963 . 0 0 "[ . 1 ]" 1
106 2 42 PHE HA 2 44 TYR H 5.000 . 5.500 5.592 5.518 5.703 0.203 11 0 "[ . 1 ]" 1
107 2 44 TYR QB 2 48 ILE H 5.000 . 5.500 4.508 3.004 4.929 . 0 0 "[ . 1 ]" 1
108 2 44 TYR H 2 48 ILE MD 4.000 . 4.500 3.819 3.774 3.948 . 0 0 "[ . 1 ]" 1
109 2 82 ALA H 2 84 TRP H 4.000 . 4.500 3.737 3.053 4.547 0.047 11 0 "[ . 1 ]" 1
110 2 84 TRP H 2 84 TRP HD1 5.000 . 5.500 4.581 3.476 5.115 . 0 0 "[ . 1 ]" 1
111 2 27 LEU MD1 2 84 TRP HE1 4.500 . 5.000 4.175 4.032 4.235 . 0 0 "[ . 1 ]" 1
112 2 23 VAL MG1 2 84 TRP HE1 4.500 . 5.000 4.037 3.541 4.238 . 0 0 "[ . 1 ]" 1
113 2 84 TRP HE1 2 88 THR MG 4.000 . 4.500 3.303 2.609 3.843 . 0 0 "[ . 1 ]" 1
114 2 37 GLU H 2 42 PHE QD 5.000 . 5.500 2.942 2.635 3.406 . 0 0 "[ . 1 ]" 1
115 2 40 PHE QD 2 63 THR H 6.000 . 6.500 4.189 3.606 4.911 . 0 0 "[ . 1 ]" 1
116 2 40 PHE QE 2 63 THR H 5.000 . 5.500 2.663 2.137 3.188 . 0 0 "[ . 1 ]" 1
117 2 64 TYR H 2 64 TYR QD 3.500 . 4.000 2.633 2.212 3.150 . 0 0 "[ . 1 ]" 1
118 2 65 GLY H 2 68 PHE QD 4.000 . 4.500 3.998 3.638 4.063 . 0 0 "[ . 1 ]" 1
119 2 64 TYR QD 2 65 GLY H 5.000 . 5.500 4.549 4.280 4.853 . 0 0 "[ . 1 ]" 1
120 2 65 GLY H 2 69 LEU MD1 5.000 . 5.500 4.392 3.912 4.632 . 0 0 "[ . 1 ]" 1
121 2 63 THR H 2 64 TYR QE 4.000 . 4.500 3.502 2.558 3.977 . 0 0 "[ . 1 ]" 1
122 2 58 GLU H 2 63 THR MG 5.000 . 5.500 4.527 4.150 4.763 . 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 798
_Distance_constraint_stats_list.Viol_count 1216
_Distance_constraint_stats_list.Viol_total 1361.810
_Distance_constraint_stats_list.Viol_max 1.990
_Distance_constraint_stats_list.Viol_rms 0.0762
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0141
_Distance_constraint_stats_list.Viol_average_violations_only 0.1018
_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 ASN 0.164 0.075 4 0 "[ . 1 ]"
1 41 THR 0.728 0.210 9 0 "[ . 1 ]"
1 42 LYS 0.564 0.210 9 0 "[ . 1 ]"
1 43 TRP 0.580 0.107 3 0 "[ . 1 ]"
1 44 THR 0.911 0.200 4 0 "[ . 1 ]"
1 45 LEU 1.872 0.246 1 0 "[ . 1 ]"
1 46 TRP 1.208 0.200 4 0 "[ . 1 ]"
1 47 TYR 0.574 0.151 9 0 "[ . 1 ]"
1 48 THR 0.854 0.132 6 0 "[ . 1 ]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 51 ALA 2.307 0.227 9 0 "[ . 1 ]"
1 52 VAL 3.690 0.378 5 0 "[ . 1 ]"
1 53 ASP 3.682 0.378 5 0 "[ . 1 ]"
1 54 LYS 3.004 0.242 3 0 "[ . 1 ]"
1 55 SER 2.488 0.194 1 0 "[ . 1 ]"
1 56 GLU 0.439 0.068 5 0 "[ . 1 ]"
1 57 SER 1.472 0.130 10 0 "[ . 1 ]"
1 58 TRP 0.009 0.006 3 0 "[ . 1 ]"
1 59 SER 0.035 0.008 1 0 "[ . 1 ]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 61 LEU 2.727 0.566 3 1 "[ + . 1 ]"
1 62 LEU 0.646 0.499 3 0 "[ . 1 ]"
1 63 ARG 0.563 0.151 9 0 "[ . 1 ]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 65 VAL 1.300 0.222 4 0 "[ . 1 ]"
1 66 THR 1.757 0.222 4 0 "[ . 1 ]"
1 67 SER 0.568 0.107 3 0 "[ . 1 ]"
1 68 PHE 0.011 0.011 9 0 "[ . 1 ]"
1 69 GLN 0.418 0.070 9 0 "[ . 1 ]"
1 70 THR 1.619 0.183 3 0 "[ . 1 ]"
1 71 VAL 2.255 0.192 2 0 "[ . 1 ]"
1 72 GLU 2.660 0.192 2 0 "[ . 1 ]"
1 73 GLU 1.930 0.223 3 0 "[ . 1 ]"
1 74 PHE 3.904 0.360 1 0 "[ . 1 ]"
1 75 TRP 1.396 0.157 11 0 "[ . 1 ]"
1 76 ALA 4.830 0.360 1 0 "[ . 1 ]"
1 77 ILE 0.075 0.032 11 0 "[ . 1 ]"
1 78 ILE 1.608 0.238 8 0 "[ . 1 ]"
1 79 GLN 0.252 0.167 8 0 "[ . 1 ]"
1 80 ASN 2.448 0.243 7 0 "[ . 1 ]"
1 81 ILE 4.480 0.243 7 0 "[ . 1 ]"
1 82 PRO 0.008 0.008 1 0 "[ . 1 ]"
1 83 GLU 0.262 0.086 3 0 "[ . 1 ]"
1 85 HIS 0.287 0.080 6 0 "[ . 1 ]"
1 86 GLU 0.960 0.144 6 0 "[ . 1 ]"
1 87 LEU 1.369 0.144 6 0 "[ . 1 ]"
1 88 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 89 LEU 4.133 0.858 3 4 "[ +*.* - ]"
1 90 LYS 0.118 0.074 8 0 "[ . 1 ]"
1 91 SER 0.282 0.045 8 0 "[ . 1 ]"
1 92 ASP 0.663 0.132 6 0 "[ . 1 ]"
1 93 TYR 0.086 0.049 8 0 "[ . 1 ]"
1 94 HIS 0.454 0.088 7 0 "[ . 1 ]"
1 95 VAL 0.063 0.034 6 0 "[ . 1 ]"
1 96 PHE 1.964 0.248 5 0 "[ . 1 ]"
1 97 ARG 0.185 0.076 9 0 "[ . 1 ]"
1 98 ASN 0.772 0.145 3 0 "[ . 1 ]"
1 99 ASP 1.096 0.145 3 0 "[ . 1 ]"
1 100 VAL 2.106 0.180 3 0 "[ . 1 ]"
1 101 ARG 1.742 0.180 3 0 "[ . 1 ]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 104 TRP 0.170 0.065 6 0 "[ . 1 ]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 106 ASP 0.416 0.106 11 0 "[ . 1 ]"
1 107 GLU 0.505 0.106 11 0 "[ . 1 ]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 109 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 110 ALA 0.721 0.097 6 0 "[ . 1 ]"
1 111 LYS 0.285 0.067 3 0 "[ . 1 ]"
1 112 GLY 0.853 0.248 10 0 "[ . 1 ]"
1 113 GLY 4.195 0.290 1 0 "[ . 1 ]"
1 114 LYS 0.127 0.045 8 0 "[ . 1 ]"
1 115 TRP 0.135 0.071 2 0 "[ . 1 ]"
1 116 SER 0.460 0.093 3 0 "[ . 1 ]"
1 117 PHE 0.020 0.020 8 0 "[ . 1 ]"
1 118 GLN 0.152 0.066 7 0 "[ . 1 ]"
1 119 LEU 0.183 0.066 7 0 "[ . 1 ]"
1 120 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 121 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 122 LYS 0.163 0.044 5 0 "[ . 1 ]"
1 123 GLY 0.127 0.063 2 0 "[ . 1 ]"
1 124 ALA 1.965 0.198 1 0 "[ . 1 ]"
1 125 ASP 0.492 0.050 3 0 "[ . 1 ]"
1 126 ILE 0.207 0.079 6 0 "[ . 1 ]"
1 127 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 128 GLU 0.107 0.052 11 0 "[ . 1 ]"
1 129 LEU 19.037 1.990 6 11 [*****+**-**]
1 130 TRP 0.090 0.045 7 0 "[ . 1 ]"
1 131 LEU 0.127 0.052 11 0 "[ . 1 ]"
1 132 CYS 0.986 0.145 3 0 "[ . 1 ]"
1 133 THR 0.702 0.108 3 0 "[ . 1 ]"
1 134 LEU 0.090 0.045 7 0 "[ . 1 ]"
1 135 LEU 7.196 1.120 7 9 "[*****-+ ** ]"
1 136 ALA 0.702 0.108 3 0 "[ . 1 ]"
1 137 VAL 0.318 0.318 2 0 "[ . 1 ]"
1 138 ILE 0.959 0.390 6 0 "[ . 1 ]"
1 139 GLY 1.178 0.390 6 0 "[ . 1 ]"
1 140 GLU 2.069 0.198 11 0 "[ . 1 ]"
1 141 THR 2.300 0.198 11 0 "[ . 1 ]"
1 142 ILE 1.510 0.708 6 2 "[ .+ -1 ]"
1 143 ASP 0.105 0.032 2 0 "[ . 1 ]"
1 144 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 145 ASP 0.526 0.125 8 0 "[ . 1 ]"
1 146 ASP 0.555 0.125 8 0 "[ . 1 ]"
1 147 SER 0.092 0.067 1 0 "[ . 1 ]"
1 149 ILE 0.321 0.081 8 0 "[ . 1 ]"
1 150 ASN 0.921 0.133 8 0 "[ . 1 ]"
1 151 GLY 1.425 0.170 7 0 "[ . 1 ]"
1 152 VAL 2.804 0.248 5 0 "[ . 1 ]"
1 153 VAL 0.421 0.067 11 0 "[ . 1 ]"
1 154 LEU 1.209 0.116 6 0 "[ . 1 ]"
1 155 SER 0.869 0.130 6 0 "[ . 1 ]"
1 156 ILE 0.074 0.074 8 0 "[ . 1 ]"
1 157 ARG 0.213 0.068 9 0 "[ . 1 ]"
1 158 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 159 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 160 GLY 0.156 0.058 11 0 "[ . 1 ]"
1 161 ASN 0.734 0.124 2 0 "[ . 1 ]"
1 162 LYS 1.191 0.130 6 0 "[ . 1 ]"
1 163 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 164 ALA 0.421 0.067 11 0 "[ . 1 ]"
1 165 LEU 0.809 0.104 11 0 "[ . 1 ]"
1 166 TRP 3.723 0.226 10 0 "[ . 1 ]"
1 167 THR 7.175 0.290 1 0 "[ . 1 ]"
1 168 LYS 0.280 0.114 7 0 "[ . 1 ]"
1 169 CYS 1.450 0.167 10 0 "[ . 1 ]"
1 170 GLU 0.680 0.090 2 0 "[ . 1 ]"
1 171 ASP 1.566 0.176 8 0 "[ . 1 ]"
1 172 LYS 3.937 0.260 9 0 "[ . 1 ]"
1 173 GLU 2.358 0.162 4 0 "[ . 1 ]"
1 174 PRO 0.908 0.121 10 0 "[ . 1 ]"
1 175 LEU 4.695 0.260 9 0 "[ . 1 ]"
1 176 LEU 2.237 0.180 8 0 "[ . 1 ]"
1 177 ARG 0.908 0.121 10 0 "[ . 1 ]"
1 178 ILE 3.199 0.381 9 0 "[ . 1 ]"
1 179 GLY 3.199 0.381 9 0 "[ . 1 ]"
1 180 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 181 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 182 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 183 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 184 GLN 0.535 0.349 8 0 "[ . 1 ]"
1 185 VAL 1.288 0.163 10 0 "[ . 1 ]"
1 186 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 187 LYS 1.974 0.163 10 0 "[ . 1 ]"
1 188 LEU 1.319 0.321 11 0 "[ . 1 ]"
1 189 THR 1.108 0.321 11 0 "[ . 1 ]"
1 190 ASP 0.226 0.065 6 0 "[ . 1 ]"
1 191 ASP 0.338 0.129 4 0 "[ . 1 ]"
1 192 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 193 HIS 0.248 0.066 2 0 "[ . 1 ]"
1 194 LEU 0.213 0.066 2 0 "[ . 1 ]"
1 195 GLU 0.545 0.093 3 0 "[ . 1 ]"
1 196 PHE 0.060 0.060 8 0 "[ . 1 ]"
1 197 PHE 0.127 0.045 8 0 "[ . 1 ]"
1 198 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 199 HIS 0.009 0.009 1 0 "[ . 1 ]"
1 200 CYS 0.009 0.009 1 0 "[ . 1 ]"
1 201 SER 0.283 0.059 7 0 "[ . 1 ]"
1 202 ALA 0.384 0.092 3 0 "[ . 1 ]"
1 203 ASN 0.429 0.132 10 0 "[ . 1 ]"
1 204 GLY 0.214 0.090 11 0 "[ . 1 ]"
1 205 ARG 0.004 0.004 2 0 "[ . 1 ]"
1 206 HIS 0.291 0.115 9 0 "[ . 1 ]"
1 210 SER 0.275 0.042 6 0 "[ . 1 ]"
1 211 ILE 0.075 0.060 8 0 "[ . 1 ]"
1 212 THR 1.127 0.111 10 0 "[ . 1 ]"
1 213 LEU 1.012 0.111 10 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 45 LEU MD2 1 65 VAL H . . 5.500 4.493 4.151 4.603 . 0 0 "[ . 1 ]" 2
2 1 51 ALA H 1 61 LEU MD2 4.200 2.100 4.500 3.367 2.726 3.617 . 0 0 "[ . 1 ]" 2
3 1 61 LEU H 1 61 LEU MD2 . 2.800 4.800 2.836 2.234 3.317 0.566 3 1 "[ + . 1 ]" 2
4 1 61 LEU MD2 1 62 LEU H . . 5.000 4.243 3.960 4.376 . 0 0 "[ . 1 ]" 2
5 1 62 LEU H 1 62 LEU MD2 . . 4.700 3.760 3.612 4.064 . 0 0 "[ . 1 ]" 2
6 1 62 LEU MD2 1 63 ARG H 5.600 . 6.100 2.650 2.145 4.340 . 0 0 "[ . 1 ]" 2
7 1 86 GLU H 1 87 LEU MD2 5.600 . 6.100 3.563 2.749 4.781 . 0 0 "[ . 1 ]" 2
8 1 87 LEU H 1 87 LEU MD2 . . 4.600 2.623 1.806 3.596 . 0 0 "[ . 1 ]" 2
9 1 89 LEU H 1 89 LEU MD2 . 2.800 4.800 3.110 1.942 4.180 0.858 3 4 "[ +*.* - ]" 2
10 1 89 LEU MD2 1 158 LYS H 5.600 . 6.100 4.333 2.466 5.137 . 0 0 "[ . 1 ]" 2
11 1 115 TRP HE1 1 175 LEU MD2 5.600 . 5.900 4.696 4.374 4.845 . 0 0 "[ . 1 ]" 2
12 1 129 LEU H 1 129 LEU QD . 3.800 3.800 2.215 1.810 2.894 1.990 6 11 [*****+**-**] 2
13 1 131 LEU MD2 1 135 LEU H . 2.100 4.500 3.208 2.291 3.615 . 0 0 "[ . 1 ]" 2
14 1 135 LEU H 1 135 LEU QD 4.600 3.800 5.000 3.160 2.680 3.379 1.120 7 9 "[*****-+ ** ]" 2
15 1 135 LEU QD 1 136 ALA H . . 4.100 2.254 1.811 2.806 . 0 0 "[ . 1 ]" 2
16 1 154 LEU MD2 1 155 SER H 4.600 2.200 5.100 2.681 2.447 2.830 . 0 0 "[ . 1 ]" 2
17 1 169 CYS H 1 175 LEU MD2 5.600 . 6.100 3.686 2.826 4.045 . 0 0 "[ . 1 ]" 2
18 1 175 LEU H 1 175 LEU MD2 . . 4.800 3.314 3.011 3.625 . 0 0 "[ . 1 ]" 2
19 1 186 LEU H 1 186 LEU MD2 . . 4.500 2.659 2.251 3.125 . 0 0 "[ . 1 ]" 2
20 1 40 ASN H 1 40 ASN QB 3.000 . 3.500 2.729 2.424 3.094 . 0 0 "[ . 1 ]" 2
21 1 40 ASN QB 1 41 THR H 4.600 . 4.800 3.765 3.518 4.020 . 0 0 "[ . 1 ]" 2
22 1 41 THR H 1 41 THR HA 2.500 . 3.000 2.916 2.865 2.940 . 0 0 "[ . 1 ]" 2
23 1 41 THR H 1 41 THR HB 2.800 . 3.300 2.957 2.594 3.220 . 0 0 "[ . 1 ]" 2
24 1 41 THR H 1 41 THR MG . . 4.000 2.541 2.277 2.753 . 0 0 "[ . 1 ]" 2
25 1 41 THR MG 1 42 LYS H . . 3.800 2.942 2.567 3.171 . 0 0 "[ . 1 ]" 2
26 1 41 THR MG 1 43 TRP HE1 5.600 . 6.100 2.098 1.823 2.670 . 0 0 "[ . 1 ]" 2
27 1 41 THR MG 1 98 ASN H 5.600 . 6.100 4.759 4.222 4.991 . 0 0 "[ . 1 ]" 2
28 1 41 THR MG 1 98 ASN QD 6.600 . 7.100 4.148 3.163 5.031 . 0 0 "[ . 1 ]" 2
29 1 42 LYS H 1 42 LYS QB 3.000 . 3.500 2.964 2.664 3.199 . 0 0 "[ . 1 ]" 2
30 1 43 TRP H 1 67 SER HA 6.000 . 6.500 4.905 4.082 6.528 0.028 10 0 "[ . 1 ]" 2
31 1 43 TRP HA 1 44 THR H . . 3.000 2.421 2.091 2.552 . 0 0 "[ . 1 ]" 2
32 1 43 TRP QB 1 44 THR H 3.500 . 3.900 2.378 2.051 3.289 . 0 0 "[ . 1 ]" 2
33 1 44 THR H 1 44 THR HB 4.000 . 4.500 3.769 3.590 3.887 . 0 0 "[ . 1 ]" 2
34 1 44 THR H 1 97 ARG QG . 2.200 5.300 3.659 2.176 4.822 0.024 1 0 "[ . 1 ]" 2
35 1 44 THR HA 1 67 SER H 5.000 . 5.500 3.462 2.010 4.316 . 0 0 "[ . 1 ]" 2
36 1 44 THR MG 1 68 PHE H 5.600 . 6.100 4.947 4.845 5.072 . 0 0 "[ . 1 ]" 2
37 1 45 LEU H 1 45 LEU QB 3.000 . 3.500 2.289 2.146 2.368 . 0 0 "[ . 1 ]" 2
38 1 45 LEU H 1 45 LEU HG 3.500 . 3.800 3.934 3.709 4.046 0.246 1 0 "[ . 1 ]" 2
39 1 45 LEU MD1 1 65 VAL H 5.600 2.200 5.600 4.636 4.432 4.784 . 0 0 "[ . 1 ]" 2
40 1 45 LEU QD 1 66 THR H 5.500 . 6.000 2.615 1.843 3.072 . 0 0 "[ . 1 ]" 2
41 1 45 LEU QD 1 67 SER H 7.000 . 7.500 4.806 4.248 5.222 . 0 0 "[ . 1 ]" 2
42 1 46 TRP H 1 46 TRP QB 3.300 . 3.800 3.003 2.669 3.150 . 0 0 "[ . 1 ]" 2
43 1 46 TRP H 1 94 HIS HA 4.600 . 5.100 4.902 4.521 5.188 0.088 7 0 "[ . 1 ]" 2
44 1 46 TRP HA 1 65 VAL H 3.100 . 3.600 2.304 1.798 2.968 0.002 9 0 "[ . 1 ]" 2
45 1 46 TRP QB 1 46 TRP HE1 4.400 2.600 4.900 4.520 4.496 4.557 . 0 0 "[ . 1 ]" 2
46 1 46 TRP QB 1 47 TYR H 3.500 . 4.000 2.913 2.649 3.125 . 0 0 "[ . 1 ]" 2
47 1 47 TYR H 1 47 TYR QB 3.500 . 4.000 3.134 3.065 3.202 . 0 0 "[ . 1 ]" 2
48 1 47 TYR H 1 65 VAL MG1 5.600 . 6.100 4.768 3.864 5.199 . 0 0 "[ . 1 ]" 2
49 1 47 TYR H 1 65 VAL MG2 4.000 . 4.500 3.077 2.654 3.656 . 0 0 "[ . 1 ]" 2
50 1 47 TYR QB 1 48 THR H 4.600 . 5.100 2.665 2.239 3.413 . 0 0 "[ . 1 ]" 2
51 1 48 THR H 1 48 THR HA 2.400 . 2.900 2.926 2.899 2.950 0.050 6 0 "[ . 1 ]" 2
52 1 48 THR MG 1 49 LYS H . . 3.800 2.863 2.294 3.588 . 0 0 "[ . 1 ]" 2
53 1 51 ALA H 1 61 LEU MD1 . . 3.800 2.580 1.797 2.915 0.003 3 0 "[ . 1 ]" 2
54 1 51 ALA HA 1 53 ASP H 3.200 . 3.700 3.649 3.177 3.823 0.123 7 0 "[ . 1 ]" 2
55 1 51 ALA MB 1 52 VAL H 3.500 . 3.800 2.742 2.020 3.312 . 0 0 "[ . 1 ]" 2
56 1 51 ALA MB 1 53 ASP H 4.900 . 5.300 4.156 3.859 4.495 . 0 0 "[ . 1 ]" 2
57 1 52 VAL H 1 52 VAL HA 2.200 . 2.700 2.757 2.268 2.902 0.202 1 0 "[ . 1 ]" 2
58 1 52 VAL H 1 52 VAL HB 2.400 . 2.900 2.686 2.263 3.054 0.154 11 0 "[ . 1 ]" 2
59 1 52 VAL H 1 61 LEU MD1 . . 5.400 3.274 2.050 3.925 . 0 0 "[ . 1 ]" 2
60 1 52 VAL QG 1 53 ASP H . 2.200 4.600 3.194 1.822 3.679 0.378 5 0 "[ . 1 ]" 2
61 1 53 ASP H 1 53 ASP QB 3.000 . 3.500 2.589 2.208 3.105 . 0 0 "[ . 1 ]" 2
62 1 53 ASP QB 1 54 LYS H . . 4.500 3.528 3.002 4.021 . 0 0 "[ . 1 ]" 2
63 1 53 ASP QB 1 55 SER H . . 5.400 4.559 4.009 4.921 . 0 0 "[ . 1 ]" 2
64 1 54 LYS H 1 54 LYS QB . . 3.500 2.318 2.017 2.970 . 0 0 "[ . 1 ]" 2
65 1 54 LYS QB 1 55 SER H . . 3.800 2.961 2.299 3.617 . 0 0 "[ . 1 ]" 2
66 1 55 SER H 1 55 SER QB 3.000 . 3.500 2.877 2.542 3.187 . 0 0 "[ . 1 ]" 2
67 1 55 SER H 1 56 GLU QB . . 5.100 3.869 3.520 4.397 . 0 0 "[ . 1 ]" 2
68 1 55 SER QB 1 56 GLU H . . 3.800 3.426 3.246 3.594 . 0 0 "[ . 1 ]" 2
69 1 56 GLU H 1 56 GLU QB 3.000 . 3.500 2.478 2.145 2.973 . 0 0 "[ . 1 ]" 2
70 1 56 GLU H 1 56 GLU QG . . 3.800 3.076 2.592 3.533 . 0 0 "[ . 1 ]" 2
71 1 56 GLU HA 1 57 SER H 3.000 . 3.500 3.169 2.219 3.503 0.003 11 0 "[ . 1 ]" 2
72 1 56 GLU QG 1 57 SER H 4.000 . 4.300 3.836 3.771 3.928 . 0 0 "[ . 1 ]" 2
73 1 57 SER H 1 57 SER QB 3.000 . 3.500 2.883 2.506 3.124 . 0 0 "[ . 1 ]" 2
74 1 57 SER HA 1 58 TRP H 3.500 . 4.000 2.174 2.138 2.241 . 0 0 "[ . 1 ]" 2
75 1 57 SER QB 1 58 TRP H 3.500 2.800 4.000 3.405 3.099 3.548 . 0 0 "[ . 1 ]" 2
76 1 57 SER QB 1 59 SER H . . 3.800 2.584 2.120 3.388 . 0 0 "[ . 1 ]" 2
77 1 58 TRP H 1 58 TRP QB 3.000 . 3.500 2.225 2.173 2.274 . 0 0 "[ . 1 ]" 2
78 1 58 TRP HA 1 59 SER H 3.000 . 3.500 3.459 3.422 3.506 0.006 3 0 "[ . 1 ]" 2
79 1 58 TRP HA 1 60 ASP H 4.500 . 4.500 3.903 3.645 4.043 . 0 0 "[ . 1 ]" 2
80 1 58 TRP QB 1 59 SER H . . 3.800 2.897 2.706 3.063 . 0 0 "[ . 1 ]" 2
81 1 58 TRP HE1 1 62 LEU QD 5.000 . 5.500 2.367 1.944 3.087 . 0 0 "[ . 1 ]" 2
82 1 59 SER H 1 59 SER HA 2.400 . 2.900 2.889 2.829 2.908 0.008 1 0 "[ . 1 ]" 2
83 1 59 SER H 1 59 SER QB 3.000 . 3.500 2.104 2.013 2.147 . 0 0 "[ . 1 ]" 2
84 1 59 SER QB 1 60 ASP H 3.500 . 3.800 3.211 3.133 3.373 . 0 0 "[ . 1 ]" 2
85 1 60 ASP H 1 60 ASP QB 3.000 . 3.500 2.199 2.140 2.387 . 0 0 "[ . 1 ]" 2
86 1 60 ASP QB 1 61 LEU H . . 3.800 3.077 2.722 3.217 . 0 0 "[ . 1 ]" 2
87 1 61 LEU H 1 61 LEU QB 3.000 . 3.500 2.746 2.630 2.879 . 0 0 "[ . 1 ]" 2
88 1 61 LEU H 1 61 LEU MD1 . . 4.000 3.479 3.405 3.558 . 0 0 "[ . 1 ]" 2
89 1 61 LEU HA 1 62 LEU H . . 3.800 3.550 3.537 3.561 . 0 0 "[ . 1 ]" 2
90 1 61 LEU QB 1 62 LEU H . . 3.800 1.994 1.846 2.172 . 0 0 "[ . 1 ]" 2
91 1 61 LEU HG 1 62 LEU H 3.500 . 4.000 3.303 2.853 3.619 . 0 0 "[ . 1 ]" 2
92 1 62 LEU H 1 62 LEU QB 2.800 . 3.300 2.139 1.958 2.309 . 0 0 "[ . 1 ]" 2
93 1 62 LEU H 1 62 LEU HG 2.800 . 3.300 3.234 3.032 3.799 0.499 3 0 "[ . 1 ]" 2
94 1 62 LEU H 1 62 LEU MD1 . . 4.800 3.699 1.815 4.133 . 0 0 "[ . 1 ]" 2
95 1 63 ARG H 1 63 ARG QB 3.200 . 3.500 2.377 2.200 2.695 . 0 0 "[ . 1 ]" 2
96 1 65 VAL H 1 65 VAL MG1 4.300 . 4.500 3.455 2.738 3.897 . 0 0 "[ . 1 ]" 2
97 1 65 VAL H 1 65 VAL MG2 3.000 . 3.500 2.042 1.802 2.280 . 0 0 "[ . 1 ]" 2
98 1 65 VAL MG1 1 66 THR H . . 4.000 2.620 1.918 3.478 . 0 0 "[ . 1 ]" 2
99 1 65 VAL MG2 1 66 THR H . . 4.500 3.115 2.096 3.719 . 0 0 "[ . 1 ]" 2
100 1 65 VAL QG 1 67 SER H 6.500 2.800 7.000 5.179 4.911 5.369 . 0 0 "[ . 1 ]" 2
101 1 66 THR MG 1 67 SER H . . 5.500 2.798 2.012 3.407 . 0 0 "[ . 1 ]" 2
102 1 66 THR MG 1 68 PHE H . . 5.500 3.495 2.736 4.578 . 0 0 "[ . 1 ]" 2
103 1 67 SER H 1 67 SER QB 3.400 . 3.900 2.853 2.601 3.215 . 0 0 "[ . 1 ]" 2
104 1 67 SER QB 1 68 PHE H 3.400 . 3.900 3.415 2.613 3.784 . 0 0 "[ . 1 ]" 2
105 1 68 PHE QB 1 69 GLN H 4.500 . 4.800 1.962 1.844 2.598 . 0 0 "[ . 1 ]" 2
106 1 68 PHE QB 1 70 THR H . . 4.800 2.982 2.247 3.637 . 0 0 "[ . 1 ]" 2
107 1 69 GLN H 1 69 GLN HA 2.400 . 2.900 2.904 2.831 2.939 0.039 8 0 "[ . 1 ]" 2
108 1 69 GLN H 1 69 GLN QB . . 3.800 2.831 2.037 3.100 . 0 0 "[ . 1 ]" 2
109 1 69 GLN QB 1 70 THR H . . 4.600 3.869 3.291 3.994 . 0 0 "[ . 1 ]" 2
110 1 70 THR H 1 70 THR HA 2.300 . 2.800 2.851 2.751 2.928 0.128 6 0 "[ . 1 ]" 2
111 1 70 THR H 1 70 THR HB 3.300 . 3.800 3.541 3.174 3.807 0.007 9 0 "[ . 1 ]" 2
112 1 70 THR HA 1 71 VAL H 2.900 . 3.400 3.204 2.237 3.479 0.079 2 0 "[ . 1 ]" 2
113 1 70 THR HB 1 71 VAL H . . 3.800 3.074 1.910 3.556 . 0 0 "[ . 1 ]" 2
114 1 70 THR HB 1 72 GLU H 4.000 . 4.500 4.032 3.162 4.585 0.085 6 0 "[ . 1 ]" 2
115 1 71 VAL H 1 71 VAL HB . . 3.800 3.716 3.572 3.947 0.147 6 0 "[ . 1 ]" 2
116 1 71 VAL HB 1 72 GLU H 3.600 . 3.800 3.909 3.788 3.992 0.192 2 0 "[ . 1 ]" 2
117 1 71 VAL QG 1 72 GLU H . . 5.500 1.971 1.818 2.548 . 0 0 "[ . 1 ]" 2
118 1 71 VAL QG 1 74 PHE H 7.000 . 7.500 4.448 3.626 5.028 . 0 0 "[ . 1 ]" 2
119 1 72 GLU H 1 72 GLU QB 3.000 . 3.500 2.462 2.155 2.976 . 0 0 "[ . 1 ]" 2
120 1 72 GLU HA 1 75 TRP H 3.500 . 3.800 3.810 3.340 3.957 0.157 11 0 "[ . 1 ]" 2
121 1 72 GLU QB 1 73 GLU H 3.000 . 3.500 2.652 2.364 3.083 . 0 0 "[ . 1 ]" 2
122 1 73 GLU H 1 73 GLU QB 2.300 . 2.800 2.394 2.065 2.716 . 0 0 "[ . 1 ]" 2
123 1 73 GLU HA 1 76 ALA H 3.100 . 3.600 3.732 3.596 3.823 0.223 3 0 "[ . 1 ]" 2
124 1 73 GLU QB 1 74 PHE H 4.800 . 5.100 2.234 1.950 3.245 . 0 0 "[ . 1 ]" 2
125 1 74 PHE H 1 74 PHE QB 2.300 . 2.800 2.167 2.089 2.251 . 0 0 "[ . 1 ]" 2
126 1 74 PHE HA 1 75 TRP H 3.000 . 3.500 3.515 3.384 3.561 0.061 11 0 "[ . 1 ]" 2
127 1 74 PHE HA 1 76 ALA H 3.400 . 3.900 4.199 4.110 4.260 0.360 1 0 "[ . 1 ]" 2
128 1 75 TRP HA 1 78 ILE H . . 3.800 3.545 3.356 3.884 0.084 3 0 "[ . 1 ]" 2
129 1 76 ALA H 1 76 ALA HA 2.400 . 2.900 2.789 2.746 2.842 . 0 0 "[ . 1 ]" 2
130 1 76 ALA HA 1 77 ILE H 3.700 . 3.800 3.592 3.570 3.609 . 0 0 "[ . 1 ]" 2
131 1 76 ALA HA 1 79 GLN H 2.800 . 3.300 3.132 2.910 3.377 0.077 5 0 "[ . 1 ]" 2
132 1 76 ALA MB 1 77 ILE H 2.900 . 3.400 2.280 2.152 2.433 . 0 0 "[ . 1 ]" 2
133 1 77 ILE H 1 77 ILE MG 3.800 2.200 4.200 3.709 3.676 3.743 . 0 0 "[ . 1 ]" 2
134 1 77 ILE H 1 77 ILE QG 3.200 . 3.700 3.206 3.054 3.354 . 0 0 "[ . 1 ]" 2
135 1 77 ILE H 1 77 ILE MD 2.300 . 2.800 1.919 1.768 2.090 0.032 11 0 "[ . 1 ]" 2
136 1 77 ILE HA 1 80 ASN H 4.600 . 5.100 4.084 3.645 4.496 . 0 0 "[ . 1 ]" 2
137 1 78 ILE H 1 78 ILE HA 2.700 . 3.200 2.880 2.843 2.915 . 0 0 "[ . 1 ]" 2
138 1 78 ILE H 1 78 ILE QG . . 4.200 1.878 1.786 1.973 0.014 1 0 "[ . 1 ]" 2
139 1 78 ILE H 1 78 ILE MD . . 4.300 3.228 2.164 3.661 . 0 0 "[ . 1 ]" 2
140 1 78 ILE HA 1 80 ASN H . . 3.800 3.524 3.371 3.873 0.073 3 0 "[ . 1 ]" 2
141 1 78 ILE HA 1 81 ILE H 3.000 . 3.500 3.551 3.173 3.738 0.238 8 0 "[ . 1 ]" 2
142 1 78 ILE HB 1 79 GLN H 3.500 . 3.800 2.861 2.378 3.967 0.167 8 0 "[ . 1 ]" 2
143 1 78 ILE QG 1 79 GLN H . . 3.800 3.351 2.368 3.653 . 0 0 "[ . 1 ]" 2
144 1 79 GLN H 1 79 GLN HA 2.500 . 3.000 2.731 2.673 2.778 . 0 0 "[ . 1 ]" 2
145 1 79 GLN H 1 79 GLN QB 3.000 . 3.500 2.314 2.103 2.543 . 0 0 "[ . 1 ]" 2
146 1 79 GLN HA 1 79 GLN QE . . 4.000 2.348 1.826 3.382 . 0 0 "[ . 1 ]" 2
147 1 80 ASN H 1 80 ASN QB 3.000 . 3.500 2.453 2.288 2.963 . 0 0 "[ . 1 ]" 2
148 1 80 ASN H 1 81 ILE MG 5.600 . 6.100 4.628 4.166 5.034 . 0 0 "[ . 1 ]" 2
149 1 80 ASN H 1 81 ILE QG . . 5.100 4.062 3.629 4.228 . 0 0 "[ . 1 ]" 2
150 1 80 ASN HA 1 81 ILE H 2.700 . 3.200 3.375 3.341 3.443 0.243 7 0 "[ . 1 ]" 2
151 1 80 ASN QB 1 83 GLU H 4.800 2.200 5.200 4.762 4.456 4.850 . 0 0 "[ . 1 ]" 2
152 1 81 ILE H 1 81 ILE HB 3.400 . 3.800 3.920 3.722 3.974 0.174 1 0 "[ . 1 ]" 2
153 1 81 ILE H 1 81 ILE MG 3.000 . 3.500 2.751 2.458 3.015 . 0 0 "[ . 1 ]" 2
154 1 81 ILE H 1 81 ILE QG 3.000 . 3.500 2.542 1.890 2.791 . 0 0 "[ . 1 ]" 2
155 1 81 ILE H 1 81 ILE MD 4.200 . 4.500 3.706 3.265 3.908 . 0 0 "[ . 1 ]" 2
156 1 82 PRO HA 1 83 GLU H 3.000 . 3.500 3.245 2.380 3.508 0.008 1 0 "[ . 1 ]" 2
157 1 83 GLU H 1 83 GLU QB . . 3.800 2.720 2.209 3.385 . 0 0 "[ . 1 ]" 2
158 1 83 GLU H 1 86 GLU QB 3.700 2.200 4.200 3.762 3.619 3.923 . 0 0 "[ . 1 ]" 2
159 1 83 GLU QB 1 85 HIS H . . 4.500 3.833 2.140 4.254 . 0 0 "[ . 1 ]" 2
160 1 85 HIS H 1 85 HIS QB 2.900 . 3.400 2.955 2.854 3.014 . 0 0 "[ . 1 ]" 2
161 1 85 HIS HA 1 86 GLU H 2.500 . 3.000 2.823 2.668 3.079 0.079 8 0 "[ . 1 ]" 2
162 1 86 GLU H 1 86 GLU QB 2.700 . 3.200 2.423 2.234 2.678 . 0 0 "[ . 1 ]" 2
163 1 86 GLU HA 1 87 LEU H 2.800 . 3.300 3.313 3.095 3.444 0.144 6 0 "[ . 1 ]" 2
164 1 87 LEU H 1 87 LEU QB 3.300 . 3.800 2.701 2.421 2.965 . 0 0 "[ . 1 ]" 2
165 1 87 LEU H 1 87 LEU MD1 . . 4.800 3.406 1.714 4.142 0.086 1 0 "[ . 1 ]" 2
166 1 89 LEU H 1 89 LEU QB 3.300 . 3.800 3.160 2.628 3.372 . 0 0 "[ . 1 ]" 2
167 1 89 LEU H 1 89 LEU HG . . 3.800 3.225 1.927 3.991 0.191 10 0 "[ . 1 ]" 2
168 1 89 LEU H 1 89 LEU MD1 . . 3.800 2.341 1.782 3.048 0.018 5 0 "[ . 1 ]" 2
169 1 89 LEU QB 1 91 SER H . . 4.300 3.876 3.673 3.955 . 0 0 "[ . 1 ]" 2
170 1 89 LEU HG 1 90 LYS H 4.000 . 4.500 4.241 3.643 4.517 0.017 1 0 "[ . 1 ]" 2
171 1 89 LEU MD1 1 90 LYS H . . 5.000 3.811 1.773 4.209 0.027 8 0 "[ . 1 ]" 2
172 1 89 LEU MD1 1 158 LYS H 5.500 . 6.000 4.546 2.452 5.023 . 0 0 "[ . 1 ]" 2
173 1 90 LYS H 1 90 LYS QB . . 3.800 3.329 2.922 3.455 . 0 0 "[ . 1 ]" 2
174 1 90 LYS H 1 90 LYS QG . . 4.400 2.661 2.324 4.133 . 0 0 "[ . 1 ]" 2
175 1 90 LYS QB 1 91 SER H 3.400 . 3.900 3.671 3.582 3.831 . 0 0 "[ . 1 ]" 2
176 1 91 SER H 1 91 SER QB 3.000 . 3.500 2.335 2.123 2.819 . 0 0 "[ . 1 ]" 2
177 1 91 SER H 1 156 ILE QG . . 5.300 3.862 3.563 4.419 . 0 0 "[ . 1 ]" 2
178 1 91 SER QB 1 92 ASP H 3.200 . 3.500 2.671 2.123 3.029 . 0 0 "[ . 1 ]" 2
179 1 93 TYR H 1 93 TYR QB 3.000 . 3.500 2.677 2.241 2.988 . 0 0 "[ . 1 ]" 2
180 1 93 TYR H 1 154 LEU MD1 . 2.500 4.900 3.974 3.706 4.145 . 0 0 "[ . 1 ]" 2
181 1 93 TYR H 1 155 SER HA . . 4.100 3.663 3.330 3.946 . 0 0 "[ . 1 ]" 2
182 1 94 HIS H 1 94 HIS HA 3.000 . 3.500 2.909 2.873 2.943 . 0 0 "[ . 1 ]" 2
183 1 94 HIS HA 1 95 VAL H . . 2.500 2.182 2.117 2.337 . 0 0 "[ . 1 ]" 2
184 1 94 HIS QB 1 95 VAL H . . 4.500 2.953 2.553 3.206 . 0 0 "[ . 1 ]" 2
185 1 95 VAL H 1 95 VAL HB 2.700 . 3.200 2.803 2.584 3.001 . 0 0 "[ . 1 ]" 2
186 1 95 VAL H 1 95 VAL MG1 . . 4.800 3.836 3.715 3.938 . 0 0 "[ . 1 ]" 2
187 1 95 VAL MG1 1 96 PHE H . . 4.300 2.614 2.023 3.043 . 0 0 "[ . 1 ]" 2
188 1 96 PHE H 1 96 PHE HA 2.300 . 2.800 2.815 2.723 2.888 0.088 11 0 "[ . 1 ]" 2
189 1 96 PHE H 1 96 PHE QB 3.000 . 3.500 3.305 3.075 3.448 . 0 0 "[ . 1 ]" 2
190 1 96 PHE HA 1 97 ARG H 3.000 . 3.500 2.559 2.292 2.885 . 0 0 "[ . 1 ]" 2
191 1 96 PHE HA 1 152 VAL H . . 3.800 3.925 3.819 4.048 0.248 5 0 "[ . 1 ]" 2
192 1 96 PHE QB 1 97 ARG H 3.000 . 3.500 2.177 1.724 2.714 0.076 9 0 "[ . 1 ]" 2
193 1 97 ARG H 1 151 GLY QA . . 5.300 3.542 3.401 3.930 . 0 0 "[ . 1 ]" 2
194 1 97 ARG HA 1 98 ASN H 3.000 . 3.500 3.164 2.502 3.539 0.039 11 0 "[ . 1 ]" 2
195 1 97 ARG QB 1 98 ASN H 5.000 . 5.500 2.837 1.857 4.010 . 0 0 "[ . 1 ]" 2
196 1 98 ASN H 1 98 ASN HA 3.000 . 3.500 2.700 2.284 2.929 . 0 0 "[ . 1 ]" 2
197 1 98 ASN H 1 98 ASN QB 3.400 . 3.800 2.738 2.247 3.441 . 0 0 "[ . 1 ]" 2
198 1 98 ASN HA 1 99 ASP H 2.900 . 3.400 3.442 3.243 3.545 0.145 3 0 "[ . 1 ]" 2
199 1 98 ASN QB 1 99 ASP H 3.400 . 3.800 3.195 2.802 3.481 . 0 0 "[ . 1 ]" 2
200 1 99 ASP H 1 99 ASP HA 3.000 . 3.500 2.778 2.281 2.945 . 0 0 "[ . 1 ]" 2
201 1 99 ASP H 1 99 ASP QB . . 3.800 2.487 2.208 3.113 . 0 0 "[ . 1 ]" 2
202 1 99 ASP HA 1 100 VAL H 3.000 . 3.500 3.408 2.731 3.565 0.065 3 0 "[ . 1 ]" 2
203 1 99 ASP QB 1 100 VAL H . . 3.900 2.814 2.271 3.820 . 0 0 "[ . 1 ]" 2
204 1 100 VAL H 1 100 VAL HB 3.000 . 3.500 2.955 2.626 3.364 . 0 0 "[ . 1 ]" 2
205 1 100 VAL H 1 100 VAL MG1 3.000 . 3.500 2.091 1.835 2.447 . 0 0 "[ . 1 ]" 2
206 1 100 VAL H 1 100 VAL MG2 4.400 2.500 4.500 3.878 3.767 3.957 . 0 0 "[ . 1 ]" 2
207 1 100 VAL HA 1 101 ARG H 3.000 . 3.500 3.304 3.155 3.524 0.024 11 0 "[ . 1 ]" 2
208 1 100 VAL MG1 1 101 ARG H 3.000 . 3.500 1.752 1.676 1.831 0.124 9 0 "[ . 1 ]" 2
209 1 100 VAL MG2 1 101 ARG H 3.000 . 3.500 1.788 1.710 1.981 0.090 3 0 "[ . 1 ]" 2
210 1 100 VAL MG2 1 108 ALA H 5.600 2.200 5.900 4.470 3.901 4.745 . 0 0 "[ . 1 ]" 2
211 1 100 VAL MG2 1 109 ASN QD 6.600 . 7.100 4.282 1.821 5.153 . 0 0 "[ . 1 ]" 2
212 1 101 ARG H 1 101 ARG QB 3.000 . 3.500 2.909 2.271 3.112 . 0 0 "[ . 1 ]" 2
213 1 101 ARG H 1 110 ALA MB 4.500 . 4.500 3.744 2.888 3.924 . 0 0 "[ . 1 ]" 2
214 1 103 GLU H 1 103 GLU QB 3.300 . 3.800 3.256 3.064 3.496 . 0 0 "[ . 1 ]" 2
215 1 103 GLU H 1 106 ASP QB . . 3.900 2.812 2.384 3.095 . 0 0 "[ . 1 ]" 2
216 1 103 GLU QB 1 106 ASP H 4.500 . 4.800 3.879 3.227 4.297 . 0 0 "[ . 1 ]" 2
217 1 104 TRP H 1 104 TRP QB 3.600 . 3.800 2.129 2.015 2.764 . 0 0 "[ . 1 ]" 2
218 1 106 ASP H 1 106 ASP HA 2.800 . 3.300 2.883 2.828 2.928 . 0 0 "[ . 1 ]" 2
219 1 106 ASP H 1 106 ASP QB 3.000 . 3.500 2.697 2.521 2.890 . 0 0 "[ . 1 ]" 2
220 1 106 ASP H 1 109 ASN QB 5.600 . 6.100 4.712 4.143 5.354 . 0 0 "[ . 1 ]" 2
221 1 106 ASP HA 1 107 GLU H 3.000 . 3.500 3.507 3.357 3.606 0.106 11 0 "[ . 1 ]" 2
222 1 106 ASP QB 1 109 ASN H 5.000 . 5.400 4.382 4.265 4.534 . 0 0 "[ . 1 ]" 2
223 1 106 ASP QB 1 109 ASN QD 6.600 . 7.100 3.206 1.943 3.901 . 0 0 "[ . 1 ]" 2
224 1 107 GLU H 1 107 GLU HA 2.300 . 2.800 2.776 2.722 2.844 0.044 5 0 "[ . 1 ]" 2
225 1 107 GLU H 1 107 GLU QB 3.000 . 3.500 2.403 2.137 2.629 . 0 0 "[ . 1 ]" 2
226 1 107 GLU H 1 108 ALA MB . . 5.500 4.265 4.105 4.478 . 0 0 "[ . 1 ]" 2
227 1 107 GLU HA 1 108 ALA H . . 3.800 3.476 3.447 3.491 . 0 0 "[ . 1 ]" 2
228 1 107 GLU HA 1 110 ALA H . . 3.800 3.300 3.101 3.574 . 0 0 "[ . 1 ]" 2
229 1 107 GLU QB 1 108 ALA H . . 3.800 2.674 2.433 2.794 . 0 0 "[ . 1 ]" 2
230 1 108 ALA H 1 108 ALA HA 2.500 . 3.000 2.839 2.773 2.893 . 0 0 "[ . 1 ]" 2
231 1 108 ALA HA 1 109 ASN H . . 3.800 3.461 3.332 3.529 . 0 0 "[ . 1 ]" 2
232 1 108 ALA MB 1 109 ASN H 3.000 . 3.500 2.672 2.339 3.007 . 0 0 "[ . 1 ]" 2
233 1 108 ALA MB 1 150 ASN QD 6.600 . 6.700 4.992 4.559 5.131 . 0 0 "[ . 1 ]" 2
234 1 109 ASN H 1 109 ASN QB 3.400 . 3.900 2.366 2.073 2.576 . 0 0 "[ . 1 ]" 2
235 1 109 ASN QB 1 110 ALA H . . 5.200 2.731 2.553 3.290 . 0 0 "[ . 1 ]" 2
236 1 111 LYS H 1 111 LYS HA 2.900 . 3.400 2.700 2.360 2.804 . 0 0 "[ . 1 ]" 2
237 1 111 LYS H 1 111 LYS QB . . 3.800 2.632 2.156 3.475 . 0 0 "[ . 1 ]" 2
238 1 111 LYS H 1 111 LYS QG 3.000 . 3.500 2.416 1.835 3.157 . 0 0 "[ . 1 ]" 2
239 1 112 GLY QA 1 113 GLY H 3.000 . 3.500 2.687 2.130 2.896 . 0 0 "[ . 1 ]" 2
240 1 113 GLY QA 1 114 LYS H 3.200 . 3.700 2.178 2.122 2.291 . 0 0 "[ . 1 ]" 2
241 1 115 TRP H 1 115 TRP QB 2.700 . 3.200 2.228 2.168 2.380 . 0 0 "[ . 1 ]" 2
242 1 115 TRP HA 1 116 SER H 2.300 . 2.500 2.214 2.163 2.243 . 0 0 "[ . 1 ]" 2
243 1 115 TRP QB 1 116 SER H 5.600 . 6.100 3.745 3.668 3.783 . 0 0 "[ . 1 ]" 2
244 1 115 TRP QB 1 165 LEU H 4.200 2.200 4.300 3.014 2.484 3.661 . 0 0 "[ . 1 ]" 2
245 1 115 TRP HE1 1 176 LEU MD1 . . 3.800 2.785 2.698 2.950 . 0 0 "[ . 1 ]" 2
246 1 115 TRP HE1 1 178 ILE MG 4.400 . 4.900 3.763 3.629 3.841 . 0 0 "[ . 1 ]" 2
247 1 116 SER H 1 116 SER QB 3.000 . 3.500 2.305 2.176 2.380 . 0 0 "[ . 1 ]" 2
248 1 116 SER QB 1 195 GLU H 5.600 . 5.600 3.916 3.167 4.367 . 0 0 "[ . 1 ]" 2
249 1 117 PHE H 1 117 PHE QB 3.000 . 3.500 3.053 2.891 3.199 . 0 0 "[ . 1 ]" 2
250 1 117 PHE HA 1 118 GLN H 2.200 . 2.500 2.170 2.139 2.212 . 0 0 "[ . 1 ]" 2
251 1 117 PHE QB 1 163 PHE H 5.600 . 5.600 3.331 2.947 3.917 . 0 0 "[ . 1 ]" 2
252 1 118 GLN QB 1 119 LEU H . . 4.800 3.662 3.181 3.991 . 0 0 "[ . 1 ]" 2
253 1 119 LEU H 1 119 LEU QB 3.000 . 3.500 2.405 2.160 2.674 . 0 0 "[ . 1 ]" 2
254 1 119 LEU HA 1 120 CYS H 2.400 . 2.900 2.231 2.149 2.381 . 0 0 "[ . 1 ]" 2
255 1 119 LEU QD 1 120 CYS H . . 6.500 2.641 1.809 3.266 . 0 0 "[ . 1 ]" 2
256 1 119 LEU QD 1 161 ASN H . . 6.400 4.460 3.795 4.731 . 0 0 "[ . 1 ]" 2
257 1 119 LEU QD 1 161 ASN QD . . 6.100 2.801 2.227 3.535 . 0 0 "[ . 1 ]" 2
258 1 120 CYS H 1 120 CYS HA 2.500 . 3.000 2.890 2.833 2.947 . 0 0 "[ . 1 ]" 2
259 1 120 CYS H 1 120 CYS QB 3.000 . 3.500 2.494 2.065 3.072 . 0 0 "[ . 1 ]" 2
260 1 120 CYS HA 1 121 GLY H 4.600 . 5.100 3.117 2.145 3.575 . 0 0 "[ . 1 ]" 2
261 1 121 GLY QA 1 122 LYS H . . 3.800 2.306 2.110 2.916 . 0 0 "[ . 1 ]" 2
262 1 122 LYS H 1 122 LYS HA 2.400 . 2.900 2.727 2.272 2.944 0.044 5 0 "[ . 1 ]" 2
263 1 122 LYS H 1 122 LYS QB 3.100 . 3.600 2.856 2.210 3.290 . 0 0 "[ . 1 ]" 2
264 1 122 LYS H 1 122 LYS QG . . 4.700 3.128 1.905 4.233 . 0 0 "[ . 1 ]" 2
265 1 123 GLY QA 1 124 ALA H 3.400 . 3.500 2.420 2.237 2.853 . 0 0 "[ . 1 ]" 2
266 1 124 ALA H 1 124 ALA HA 2.200 . 2.700 2.824 2.743 2.898 0.198 1 0 "[ . 1 ]" 2
267 1 124 ALA H 1 124 ALA MB 3.000 . 3.500 2.622 2.129 2.923 . 0 0 "[ . 1 ]" 2
268 1 124 ALA HA 1 125 ASP H 3.000 . 3.500 3.538 3.511 3.550 0.050 3 0 "[ . 1 ]" 2
269 1 124 ALA MB 1 125 ASP H 3.100 . 3.600 2.254 1.852 2.728 . 0 0 "[ . 1 ]" 2
270 1 125 ASP H 1 125 ASP QB 3.000 . 3.500 2.946 2.642 3.065 . 0 0 "[ . 1 ]" 2
271 1 125 ASP H 1 126 ILE MD . . 5.100 2.908 2.245 3.387 . 0 0 "[ . 1 ]" 2
272 1 126 ILE H 1 126 ILE HA 2.400 . 2.900 2.827 2.708 2.903 0.003 2 0 "[ . 1 ]" 2
273 1 126 ILE H 1 126 ILE HB 3.000 . 3.500 2.966 2.563 3.579 0.079 6 0 "[ . 1 ]" 2
274 1 126 ILE H 1 126 ILE QG 3.200 . 3.700 2.458 1.863 3.406 . 0 0 "[ . 1 ]" 2
275 1 126 ILE H 1 126 ILE MD . . 3.800 2.123 1.825 2.500 . 0 0 "[ . 1 ]" 2
276 1 126 ILE HA 1 129 LEU H . . 3.800 3.318 2.808 3.619 . 0 0 "[ . 1 ]" 2
277 1 126 ILE MG 1 128 GLU H 5.600 . 5.700 4.719 4.595 4.881 . 0 0 "[ . 1 ]" 2
278 1 126 ILE MG 1 187 LYS H 4.500 . 4.800 3.947 3.730 4.074 . 0 0 "[ . 1 ]" 2
279 1 128 GLU H 1 128 GLU QB 2.300 . 2.800 2.186 2.104 2.312 . 0 0 "[ . 1 ]" 2
280 1 128 GLU HA 1 131 LEU H . . 3.800 3.735 3.628 3.852 0.052 11 0 "[ . 1 ]" 2
281 1 129 LEU H 1 129 LEU HA 3.000 . 3.500 2.868 2.825 2.904 . 0 0 "[ . 1 ]" 2
282 1 129 LEU H 1 129 LEU QB 3.000 . 3.500 2.517 2.366 2.745 . 0 0 "[ . 1 ]" 2
283 1 129 LEU H 1 129 LEU HG 3.300 . 3.800 3.129 1.794 3.913 0.113 7 0 "[ . 1 ]" 2
284 1 129 LEU HA 1 132 CYS H 3.000 . 3.500 3.588 3.507 3.645 0.145 3 0 "[ . 1 ]" 2
285 1 129 LEU QB 1 130 TRP H 3.200 . 3.700 2.462 2.258 2.678 . 0 0 "[ . 1 ]" 2
286 1 130 TRP H 1 130 TRP QB 3.000 . 3.500 2.106 2.020 2.307 . 0 0 "[ . 1 ]" 2
287 1 130 TRP H 1 131 LEU MD1 5.600 2.200 6.100 4.950 4.466 5.058 . 0 0 "[ . 1 ]" 2
288 1 130 TRP QB 1 131 LEU H 3.000 . 3.500 3.072 2.916 3.294 . 0 0 "[ . 1 ]" 2
289 1 130 TRP HE1 1 134 LEU QD . . 5.400 1.948 1.755 2.400 0.045 7 0 "[ . 1 ]" 2
290 1 131 LEU H 1 131 LEU QB 3.000 . 3.500 2.100 2.052 2.138 . 0 0 "[ . 1 ]" 2
291 1 131 LEU QB 1 132 CYS H 3.000 . 3.500 2.342 2.210 2.431 . 0 0 "[ . 1 ]" 2
292 1 131 LEU MD1 1 132 CYS H 4.800 . 5.300 3.541 1.867 4.246 . 0 0 "[ . 1 ]" 2
293 1 133 THR H 1 133 THR HA 2.800 . 3.300 2.886 2.871 2.900 . 0 0 "[ . 1 ]" 2
294 1 133 THR H 1 133 THR MG . 2.500 4.500 3.643 3.504 3.778 . 0 0 "[ . 1 ]" 2
295 1 133 THR HA 1 134 LEU H 3.500 . 3.800 3.530 3.493 3.551 . 0 0 "[ . 1 ]" 2
296 1 133 THR HA 1 136 ALA H . . 3.800 3.864 3.811 3.908 0.108 3 0 "[ . 1 ]" 2
297 1 134 LEU H 1 134 LEU QB 2.700 . 3.200 2.549 2.418 2.694 . 0 0 "[ . 1 ]" 2
298 1 134 LEU QB 1 135 LEU H 3.000 . 3.500 2.385 2.118 3.028 . 0 0 "[ . 1 ]" 2
299 1 135 LEU H 1 135 LEU QB 2.300 . 2.800 2.162 2.020 2.288 . 0 0 "[ . 1 ]" 2
300 1 135 LEU HA 1 138 ILE H 3.500 . 3.800 3.700 3.459 3.913 0.113 6 0 "[ . 1 ]" 2
301 1 135 LEU QB 1 136 ALA H 3.400 . 3.800 3.163 2.641 3.375 . 0 0 "[ . 1 ]" 2
302 1 136 ALA MB 1 137 VAL H 2.700 . 3.200 2.706 2.589 2.842 . 0 0 "[ . 1 ]" 2
303 1 137 VAL H 1 137 VAL HA 3.000 . 3.500 2.796 2.737 2.846 . 0 0 "[ . 1 ]" 2
304 1 137 VAL HB 1 138 ILE H 3.500 . 4.000 3.477 3.224 3.993 . 0 0 "[ . 1 ]" 2
305 1 137 VAL MG1 1 138 ILE H 5.600 . 6.100 2.585 1.932 3.556 . 0 0 "[ . 1 ]" 2
306 1 138 ILE H 1 138 ILE MG 2.700 . 3.200 1.993 1.762 2.231 0.038 8 0 "[ . 1 ]" 2
307 1 138 ILE H 1 138 ILE QG . . 4.800 2.640 2.238 4.090 . 0 0 "[ . 1 ]" 2
308 1 138 ILE MG 1 139 GLY H . 2.200 4.200 3.235 1.810 3.670 0.390 6 0 "[ . 1 ]" 2
309 1 140 GLU H 1 140 GLU QB 3.600 . 3.800 2.826 2.444 3.163 . 0 0 "[ . 1 ]" 2
310 1 140 GLU HA 1 141 THR H 2.100 . 2.600 2.676 2.615 2.798 0.198 11 0 "[ . 1 ]" 2
311 1 141 THR H 1 141 THR MG 2.500 . 3.000 2.040 1.804 2.381 . 0 0 "[ . 1 ]" 2
312 1 142 ILE H 1 142 ILE MG . 2.500 4.500 3.360 1.792 3.755 0.708 6 2 "[ .+ -1 ]" 2
313 1 142 ILE HA 1 143 ASP H . . 3.900 3.508 3.368 3.552 . 0 0 "[ . 1 ]" 2
314 1 142 ILE MG 1 143 ASP H 3.000 . 3.500 2.679 2.122 3.001 . 0 0 "[ . 1 ]" 2
315 1 142 ILE QG 1 143 ASP H 5.600 . 6.100 4.205 2.921 4.559 . 0 0 "[ . 1 ]" 2
316 1 143 ASP H 1 143 ASP QB 3.000 . 3.500 2.972 2.469 3.227 . 0 0 "[ . 1 ]" 2
317 1 143 ASP HA 1 144 GLU H 3.300 . 3.800 2.890 2.156 3.560 . 0 0 "[ . 1 ]" 2
318 1 145 ASP H 1 145 ASP QB 3.300 . 3.800 2.347 2.049 3.104 . 0 0 "[ . 1 ]" 2
319 1 145 ASP QB 1 146 ASP H . . 3.800 2.063 1.858 2.858 . 0 0 "[ . 1 ]" 2
320 1 146 ASP H 1 146 ASP QB 3.000 . 3.500 2.318 2.097 2.874 . 0 0 "[ . 1 ]" 2
321 1 146 ASP HA 1 147 SER H 3.100 . 3.600 3.266 2.710 3.561 . 0 0 "[ . 1 ]" 2
322 1 147 SER H 1 147 SER QB 3.100 . 3.600 2.866 2.056 3.207 . 0 0 "[ . 1 ]" 2
323 1 149 ILE H 1 149 ILE HB 2.300 . 2.800 2.383 2.070 2.881 0.081 8 0 "[ . 1 ]" 2
324 1 149 ILE H 1 149 ILE MG . . 4.500 3.549 3.339 3.909 . 0 0 "[ . 1 ]" 2
325 1 149 ILE MG 1 150 ASN H 3.500 . 3.800 1.781 1.752 1.807 0.048 7 0 "[ . 1 ]" 2
326 1 149 ILE MG 1 151 GLY H . . 3.800 2.234 1.974 2.532 . 0 0 "[ . 1 ]" 2
327 1 149 ILE QG 1 150 ASN QD 6.600 . 7.100 5.351 4.760 5.811 . 0 0 "[ . 1 ]" 2
328 1 150 ASN H 1 150 ASN QB 3.200 . 3.700 2.582 2.335 2.979 . 0 0 "[ . 1 ]" 2
329 1 150 ASN H 1 167 THR HA 2.200 . 2.700 2.523 2.111 2.754 0.054 10 0 "[ . 1 ]" 2
330 1 150 ASN QB 1 151 GLY H . . 4.100 3.051 2.692 3.497 . 0 0 "[ . 1 ]" 2
331 1 151 GLY H 1 151 GLY QA 2.300 . 2.800 2.499 2.488 2.505 . 0 0 "[ . 1 ]" 2
332 1 151 GLY H 1 166 TRP QB . . 3.800 2.703 2.575 2.831 . 0 0 "[ . 1 ]" 2
333 1 151 GLY H 1 167 THR HA . . 3.800 3.756 3.519 3.898 0.098 7 0 "[ . 1 ]" 2
334 1 151 GLY QA 1 152 VAL H . . 4.100 2.260 2.232 2.286 . 0 0 "[ . 1 ]" 2
335 1 151 GLY QA 1 166 TRP H . . 4.900 4.217 4.085 4.299 . 0 0 "[ . 1 ]" 2
336 1 152 VAL H 1 152 VAL HB 3.100 . 3.600 3.724 3.701 3.773 0.173 3 0 "[ . 1 ]" 2
337 1 152 VAL H 1 152 VAL MG1 . . 3.800 3.162 3.107 3.219 . 0 0 "[ . 1 ]" 2
338 1 152 VAL H 1 152 VAL MG2 . . 3.800 1.993 1.831 2.135 . 0 0 "[ . 1 ]" 2
339 1 152 VAL HB 1 153 VAL H 2.900 . 3.400 2.559 2.305 3.078 . 0 0 "[ . 1 ]" 2
340 1 153 VAL H 1 153 VAL MG2 . . 3.800 3.062 2.414 3.178 . 0 0 "[ . 1 ]" 2
341 1 153 VAL HB 1 164 ALA H 3.400 . 3.800 3.233 2.768 3.669 . 0 0 "[ . 1 ]" 2
342 1 153 VAL MG1 1 164 ALA H . . 5.100 3.326 3.072 4.005 . 0 0 "[ . 1 ]" 2
343 1 153 VAL MG1 1 166 TRP HE1 5.100 . 5.600 4.560 4.462 4.623 . 0 0 "[ . 1 ]" 2
344 1 153 VAL MG2 1 164 ALA H 5.600 . 5.900 4.627 3.923 4.977 . 0 0 "[ . 1 ]" 2
345 1 154 LEU H 1 154 LEU MD1 5.000 . 5.500 4.659 4.587 4.714 . 0 0 "[ . 1 ]" 2
346 1 154 LEU HG 1 155 SER H 3.500 2.200 4.000 2.255 2.161 2.428 0.039 8 0 "[ . 1 ]" 2
347 1 155 SER H 1 155 SER QB 3.000 . 3.500 3.165 3.116 3.217 . 0 0 "[ . 1 ]" 2
348 1 155 SER QB 1 156 ILE H . . 3.800 3.512 3.474 3.549 . 0 0 "[ . 1 ]" 2
349 1 155 SER QB 1 162 LYS H 5.600 . 6.100 4.185 3.858 4.523 . 0 0 "[ . 1 ]" 2
350 1 156 ILE H 1 156 ILE HA 2.800 . 3.300 2.910 2.894 2.935 . 0 0 "[ . 1 ]" 2
351 1 156 ILE H 1 156 ILE HB 2.800 . 3.300 2.488 2.354 2.561 . 0 0 "[ . 1 ]" 2
352 1 156 ILE H 1 156 ILE MG . . 4.300 3.756 3.696 3.787 . 0 0 "[ . 1 ]" 2
353 1 156 ILE H 1 156 ILE QG 3.000 . 3.500 2.638 2.494 2.901 . 0 0 "[ . 1 ]" 2
354 1 156 ILE MG 1 157 ARG H 2.800 . 3.300 2.020 1.800 2.270 . 0 0 "[ . 1 ]" 2
355 1 156 ILE QG 1 157 ARG H 5.600 . 5.800 4.019 3.597 4.272 . 0 0 "[ . 1 ]" 2
356 1 156 ILE MD 1 157 ARG H . . 5.300 4.212 3.673 4.527 . 0 0 "[ . 1 ]" 2
357 1 156 ILE MD 1 161 ASN QD 6.600 . 7.100 3.178 2.607 3.986 . 0 0 "[ . 1 ]" 2
358 1 157 ARG H 1 161 ASN HA 2.300 . 2.800 2.605 2.092 2.868 0.068 9 0 "[ . 1 ]" 2
359 1 157 ARG HA 1 158 LYS H 3.200 . 3.700 2.571 2.266 2.952 . 0 0 "[ . 1 ]" 2
360 1 158 LYS H 1 158 LYS QB 2.300 . 2.800 2.315 2.050 2.714 . 0 0 "[ . 1 ]" 2
361 1 159 GLY QA 1 160 GLY H 3.300 . 3.800 2.726 2.447 2.920 . 0 0 "[ . 1 ]" 2
362 1 160 GLY QA 1 161 ASN H 3.000 . 3.500 2.374 2.223 2.575 . 0 0 "[ . 1 ]" 2
363 1 161 ASN H 1 161 ASN QB 3.300 . 3.800 3.160 2.680 3.481 . 0 0 "[ . 1 ]" 2
364 1 161 ASN QB 1 162 LYS H 5.600 . 6.100 2.551 2.146 3.112 . 0 0 "[ . 1 ]" 2
365 1 162 LYS QB 1 163 PHE H . . 3.800 3.335 2.896 3.489 . 0 0 "[ . 1 ]" 2
366 1 163 PHE H 1 163 PHE QB 3.000 . 3.500 2.784 2.422 3.053 . 0 0 "[ . 1 ]" 2
367 1 163 PHE QB 1 164 ALA H 3.100 . 3.600 3.054 2.766 3.378 . 0 0 "[ . 1 ]" 2
368 1 164 ALA H 1 164 ALA MB 2.400 . 2.900 2.300 2.199 2.427 . 0 0 "[ . 1 ]" 2
369 1 164 ALA MB 1 165 LEU H 4.000 . 4.100 3.078 2.537 3.491 . 0 0 "[ . 1 ]" 2
370 1 165 LEU H 1 165 LEU QB . . 3.800 2.316 2.072 2.651 . 0 0 "[ . 1 ]" 2
371 1 165 LEU H 1 165 LEU HG 3.200 . 3.700 3.761 3.704 3.804 0.104 11 0 "[ . 1 ]" 2
372 1 165 LEU HA 1 166 TRP H 2.300 . 2.500 2.180 2.161 2.193 . 0 0 "[ . 1 ]" 2
373 1 166 TRP H 1 166 TRP QB 3.600 . 3.800 2.403 2.320 2.455 . 0 0 "[ . 1 ]" 2
374 1 166 TRP HA 1 167 THR H 2.100 . 2.600 2.091 2.055 2.120 . 0 0 "[ . 1 ]" 2
375 1 167 THR H 1 167 THR HA 2.400 . 2.900 2.946 2.933 2.951 0.051 9 0 "[ . 1 ]" 2
376 1 167 THR H 1 167 THR HB 3.000 . 3.500 3.631 3.572 3.696 0.196 2 0 "[ . 1 ]" 2
377 1 167 THR H 1 167 THR MG 3.400 . 3.800 3.135 2.828 3.197 . 0 0 "[ . 1 ]" 2
378 1 167 THR HA 1 169 CYS H . . 3.800 3.744 3.584 3.865 0.065 7 0 "[ . 1 ]" 2
379 1 167 THR HB 1 168 LYS H 3.100 . 3.600 3.449 3.196 3.668 0.068 10 0 "[ . 1 ]" 2
380 1 168 LYS H 1 168 LYS QB 3.200 . 3.700 2.162 2.103 2.259 . 0 0 "[ . 1 ]" 2
381 1 168 LYS H 1 168 LYS QG . . 4.100 3.569 2.718 3.874 . 0 0 "[ . 1 ]" 2
382 1 169 CYS H 1 169 CYS QB 3.300 . 3.700 3.203 3.098 3.241 . 0 0 "[ . 1 ]" 2
383 1 169 CYS QB 1 170 GLU H 3.000 . 3.500 2.009 1.831 2.111 . 0 0 "[ . 1 ]" 2
384 1 169 CYS QB 1 171 ASP H 4.200 2.200 4.700 3.298 2.367 3.767 . 0 0 "[ . 1 ]" 2
385 1 170 GLU H 1 170 GLU HA 2.200 . 2.700 2.310 2.272 2.335 . 0 0 "[ . 1 ]" 2
386 1 170 GLU H 1 170 GLU QG . . 3.800 3.024 2.421 3.423 . 0 0 "[ . 1 ]" 2
387 1 171 ASP H 1 171 ASP QB . . 3.800 3.286 3.065 3.495 . 0 0 "[ . 1 ]" 2
388 1 171 ASP QB 1 172 LYS H . . 4.000 3.378 3.022 3.613 . 0 0 "[ . 1 ]" 2
389 1 172 LYS H 1 172 LYS QB 3.000 . 3.500 2.534 2.258 3.129 . 0 0 "[ . 1 ]" 2
390 1 172 LYS H 1 172 LYS QG . . 3.800 2.927 2.211 3.492 . 0 0 "[ . 1 ]" 2
391 1 172 LYS HA 1 173 GLU H 3.000 . 3.500 3.459 3.389 3.488 . 0 0 "[ . 1 ]" 2
392 1 172 LYS QB 1 173 GLU H 3.000 . 3.500 2.971 2.826 3.095 . 0 0 "[ . 1 ]" 2
393 1 173 GLU H 1 173 GLU HA 2.200 . 2.700 2.738 2.698 2.796 0.096 9 0 "[ . 1 ]" 2
394 1 173 GLU H 1 173 GLU QB 3.000 . 3.500 2.211 2.063 2.806 . 0 0 "[ . 1 ]" 2
395 1 173 GLU HA 1 175 LEU H . . 3.800 3.951 3.927 3.962 0.162 4 0 "[ . 1 ]" 2
396 1 173 GLU HA 1 176 LEU H 3.400 . 3.800 3.746 3.513 3.889 0.089 5 0 "[ . 1 ]" 2
397 1 174 PRO HA 1 177 ARG H 3.000 2.300 3.500 3.583 3.538 3.621 0.121 10 0 "[ . 1 ]" 2
398 1 175 LEU H 1 175 LEU QB 3.000 . 3.500 2.464 2.368 2.546 . 0 0 "[ . 1 ]" 2
399 1 175 LEU H 1 175 LEU HG 3.100 . 3.600 2.738 2.088 3.758 0.158 11 0 "[ . 1 ]" 2
400 1 175 LEU H 1 175 LEU MD1 . . 4.200 2.937 1.744 3.672 0.056 10 0 "[ . 1 ]" 2
401 1 175 LEU H 1 176 LEU MD1 . . 5.100 3.569 3.466 3.703 . 0 0 "[ . 1 ]" 2
402 1 175 LEU QB 1 176 LEU H . . 3.800 2.189 2.102 2.265 . 0 0 "[ . 1 ]" 2
403 1 176 LEU H 1 176 LEU QB 2.700 . 3.200 2.434 2.383 2.562 . 0 0 "[ . 1 ]" 2
404 1 176 LEU H 1 176 LEU MD1 . . 3.800 1.773 1.751 1.801 0.049 6 0 "[ . 1 ]" 2
405 1 176 LEU MD1 1 177 ARG H . . 4.800 3.872 3.840 3.919 . 0 0 "[ . 1 ]" 2
406 1 177 ARG H 1 177 ARG HA 2.500 . 3.000 2.885 2.871 2.898 . 0 0 "[ . 1 ]" 2
407 1 177 ARG H 1 177 ARG QB 2.300 . 2.800 2.180 2.105 2.263 . 0 0 "[ . 1 ]" 2
408 1 177 ARG H 1 177 ARG QG 3.000 . 3.500 2.993 2.718 3.226 . 0 0 "[ . 1 ]" 2
409 1 178 ILE H 1 178 ILE MG 3.300 . 3.800 3.156 3.140 3.176 . 0 0 "[ . 1 ]" 2
410 1 178 ILE H 1 178 ILE MD . 2.400 4.500 3.530 3.377 3.639 . 0 0 "[ . 1 ]" 2
411 1 178 ILE HB 1 179 GLY H 3.500 . 3.800 3.122 3.055 3.329 . 0 0 "[ . 1 ]" 2
412 1 178 ILE MG 1 179 GLY H . 2.200 4.200 1.916 1.819 2.279 0.381 9 0 "[ . 1 ]" 2
413 1 179 GLY QA 1 180 GLY H 4.300 . 4.400 2.655 2.581 2.725 . 0 0 "[ . 1 ]" 2
414 1 180 GLY QA 1 181 LYS H 5.600 . 6.100 2.608 2.494 2.676 . 0 0 "[ . 1 ]" 2
415 1 180 GLY QA 1 182 PHE H 4.500 . 5.000 4.105 3.762 4.391 . 0 0 "[ . 1 ]" 2
416 1 181 LYS H 1 181 LYS QB 2.800 . 3.300 2.330 2.052 2.705 . 0 0 "[ . 1 ]" 2
417 1 181 LYS H 1 181 LYS QG 3.100 . 3.600 2.643 1.986 3.303 . 0 0 "[ . 1 ]" 2
418 1 181 LYS HA 1 184 GLN H 3.600 . 3.800 3.604 3.086 3.772 . 0 0 "[ . 1 ]" 2
419 1 182 PHE H 1 182 PHE QB 2.300 . 2.800 2.163 2.058 2.257 . 0 0 "[ . 1 ]" 2
420 1 182 PHE QB 1 183 LYS H 3.400 . 3.800 2.986 2.877 3.146 . 0 0 "[ . 1 ]" 2
421 1 183 LYS H 1 183 LYS QB 3.000 . 3.500 2.049 2.029 2.116 . 0 0 "[ . 1 ]" 2
422 1 183 LYS H 1 183 LYS QG 3.500 . 3.800 3.384 3.305 3.589 . 0 0 "[ . 1 ]" 2
423 1 183 LYS H 1 194 LEU QD . . 4.400 2.938 2.646 3.137 . 0 0 "[ . 1 ]" 2
424 1 183 LYS HA 1 186 LEU H 4.600 . 5.100 3.718 3.491 4.146 . 0 0 "[ . 1 ]" 2
425 1 183 LYS QB 1 184 GLN H 3.000 . 3.500 2.834 2.240 3.070 . 0 0 "[ . 1 ]" 2
426 1 183 LYS QB 1 184 GLN QE 6.600 . 7.100 3.934 3.013 4.371 . 0 0 "[ . 1 ]" 2
427 1 184 GLN H 1 184 GLN HA 2.500 . 3.000 2.795 2.717 2.865 . 0 0 "[ . 1 ]" 2
428 1 184 GLN H 1 184 GLN QB 3.300 . 3.800 2.043 2.028 2.077 . 0 0 "[ . 1 ]" 2
429 1 184 GLN H 1 185 VAL HB 4.600 . 5.100 4.947 4.751 5.122 0.022 8 0 "[ . 1 ]" 2
430 1 184 GLN HA 1 184 GLN QE . . 4.300 2.926 2.877 2.976 . 0 0 "[ . 1 ]" 2
431 1 184 GLN HA 1 187 LYS H 3.100 . 3.600 3.369 3.307 3.431 . 0 0 "[ . 1 ]" 2
432 1 184 GLN QB 1 185 VAL H 3.300 . 3.800 2.740 2.638 2.889 . 0 0 "[ . 1 ]" 2
433 1 184 GLN QB 1 186 LEU H 4.500 . 4.800 4.475 4.419 4.515 . 0 0 "[ . 1 ]" 2
434 1 185 VAL HA 1 186 LEU H 4.600 . 5.100 3.486 3.473 3.506 . 0 0 "[ . 1 ]" 2
435 1 185 VAL HB 1 187 LYS H 4.000 . 4.500 4.615 4.581 4.663 0.163 10 0 "[ . 1 ]" 2
436 1 185 VAL QG 1 186 LEU H 4.100 . 4.500 3.286 3.197 3.339 . 0 0 "[ . 1 ]" 2
437 1 186 LEU H 1 186 LEU MD1 . . 4.100 3.504 3.296 3.562 . 0 0 "[ . 1 ]" 2
438 1 186 LEU HA 1 187 LYS H 4.600 . 5.100 3.296 3.212 3.365 . 0 0 "[ . 1 ]" 2
439 1 187 LYS H 1 187 LYS HA 2.300 . 2.800 2.279 2.267 2.308 . 0 0 "[ . 1 ]" 2
440 1 187 LYS HA 1 188 LEU H 2.300 . 2.800 2.861 2.758 2.931 0.131 7 0 "[ . 1 ]" 2
441 1 188 LEU H 1 188 LEU HA 3.000 . 3.500 2.848 2.760 2.925 . 0 0 "[ . 1 ]" 2
442 1 188 LEU H 1 188 LEU QB 2.300 . 2.800 2.373 2.161 2.611 . 0 0 "[ . 1 ]" 2
443 1 188 LEU H 1 188 LEU MD1 . . 5.300 4.095 3.560 4.293 . 0 0 "[ . 1 ]" 2
444 1 188 LEU HG 1 189 THR H 2.300 . 2.800 2.547 1.870 2.891 0.091 5 0 "[ . 1 ]" 2
445 1 189 THR H 1 189 THR MG 3.500 . 3.800 2.714 2.104 3.086 . 0 0 "[ . 1 ]" 2
446 1 191 ASP H 1 191 ASP QB 3.000 . 3.500 2.541 2.069 3.032 . 0 0 "[ . 1 ]" 2
447 1 192 GLY QA 1 193 HIS H 3.400 . 3.600 2.645 2.143 2.915 . 0 0 "[ . 1 ]" 2
448 1 193 HIS H 1 193 HIS HA 2.400 . 2.900 2.636 2.272 2.931 0.031 2 0 "[ . 1 ]" 2
449 1 193 HIS H 1 193 HIS QB 3.000 . 3.500 2.819 2.457 3.298 . 0 0 "[ . 1 ]" 2
450 1 193 HIS QB 1 194 LEU H 4.000 . 4.000 3.181 2.298 3.810 . 0 0 "[ . 1 ]" 2
451 1 194 LEU H 1 213 LEU QB 3.200 . 3.700 2.841 1.938 3.411 . 0 0 "[ . 1 ]" 2
452 1 194 LEU QB 1 195 GLU H . . 4.700 2.888 2.364 3.933 . 0 0 "[ . 1 ]" 2
453 1 194 LEU QD 1 195 GLU H . . 6.400 2.813 1.946 3.552 . 0 0 "[ . 1 ]" 2
454 1 195 GLU H 1 195 GLU QB 3.000 . 3.500 2.847 2.554 3.142 . 0 0 "[ . 1 ]" 2
455 1 195 GLU H 1 213 LEU QB 5.600 . 6.100 5.124 4.941 5.207 . 0 0 "[ . 1 ]" 2
456 1 197 PHE H 1 197 PHE QB 3.000 . 3.500 2.457 2.323 2.647 . 0 0 "[ . 1 ]" 2
457 1 198 PRO QB 1 199 HIS H 4.500 . 5.000 3.397 3.224 3.580 . 0 0 "[ . 1 ]" 2
458 1 199 HIS H 1 199 HIS QB . . 3.800 2.346 2.232 2.567 . 0 0 "[ . 1 ]" 2
459 1 199 HIS HA 1 200 CYS H 3.100 . 3.600 3.491 3.399 3.551 . 0 0 "[ . 1 ]" 2
460 1 199 HIS HA 1 202 ALA H . . 3.800 2.928 2.526 3.630 . 0 0 "[ . 1 ]" 2
461 1 200 CYS H 1 200 CYS QB 2.300 . 2.800 2.154 2.028 2.300 . 0 0 "[ . 1 ]" 2
462 1 201 SER H 1 201 SER HA 2.400 . 2.900 2.889 2.680 2.941 0.041 9 0 "[ . 1 ]" 2
463 1 201 SER H 1 201 SER QB 3.000 . 3.500 2.562 2.128 3.092 . 0 0 "[ . 1 ]" 2
464 1 201 SER HA 1 202 ALA H 3.000 . 3.500 3.337 2.999 3.559 0.059 7 0 "[ . 1 ]" 2
465 1 201 SER QB 1 202 ALA H . . 3.800 3.307 2.275 3.700 . 0 0 "[ . 1 ]" 2
466 1 202 ALA H 1 202 ALA HA 2.300 . 2.800 2.460 2.275 2.892 0.092 3 0 "[ . 1 ]" 2
467 1 202 ALA H 1 202 ALA MB 2.800 . 3.300 2.527 2.026 2.818 . 0 0 "[ . 1 ]" 2
468 1 203 ASN H 1 203 ASN HA 2.300 . 2.800 2.611 2.275 2.932 0.132 10 0 "[ . 1 ]" 2
469 1 203 ASN H 1 203 ASN QB . . 3.800 3.123 2.578 3.488 . 0 0 "[ . 1 ]" 2
470 1 204 GLY QA 1 205 ARG H 3.200 . 3.500 2.773 2.387 2.915 . 0 0 "[ . 1 ]" 2
471 1 205 ARG H 1 205 ARG QB 3.000 . 3.500 2.691 2.117 3.106 . 0 0 "[ . 1 ]" 2
472 1 205 ARG HA 1 206 HIS H . . 3.800 3.038 2.263 3.571 . 0 0 "[ . 1 ]" 2
473 1 210 SER H 1 210 SER HA 2.400 . 2.900 2.916 2.856 2.942 0.042 6 0 "[ . 1 ]" 2
474 1 210 SER H 1 210 SER QB 3.000 . 3.500 2.590 2.322 2.819 . 0 0 "[ . 1 ]" 2
475 1 210 SER H 1 211 ILE QG . . 5.100 3.781 2.244 4.175 . 0 0 "[ . 1 ]" 2
476 1 210 SER HA 1 211 ILE H . . 3.800 3.471 2.937 3.592 . 0 0 "[ . 1 ]" 2
477 1 210 SER QB 1 211 ILE H . . 3.800 2.575 2.192 3.661 . 0 0 "[ . 1 ]" 2
478 1 211 ILE H 1 211 ILE MG . . 4.400 3.834 3.749 3.939 . 0 0 "[ . 1 ]" 2
479 1 211 ILE H 1 211 ILE QG 3.300 . 3.700 2.310 1.855 2.555 . 0 0 "[ . 1 ]" 2
480 1 211 ILE QG 1 212 THR H . . 4.800 4.229 4.151 4.315 . 0 0 "[ . 1 ]" 2
481 1 212 THR H 1 212 THR MG . 2.200 4.200 3.276 2.905 3.467 . 0 0 "[ . 1 ]" 2
482 1 212 THR HB 1 213 LEU H 3.600 . 3.800 3.840 3.737 3.911 0.111 10 0 "[ . 1 ]" 2
483 1 213 LEU H 1 213 LEU QB 3.200 . 3.700 2.317 2.251 2.415 . 0 0 "[ . 1 ]" 2
484 1 40 ASN HA 1 41 THR H 2.700 . 3.200 3.132 2.873 3.275 0.075 4 0 "[ . 1 ]" 2
485 1 41 THR HB 1 42 LYS H 3.500 . 3.800 3.798 3.618 4.010 0.210 9 0 "[ . 1 ]" 2
486 1 41 THR HA 1 42 LYS H 2.500 . 3.000 2.409 2.205 2.516 . 0 0 "[ . 1 ]" 2
487 1 42 LYS HA 1 43 TRP H 2.500 . 3.000 2.186 2.154 2.220 . 0 0 "[ . 1 ]" 2
488 1 44 THR HA 1 45 LEU H 2.000 . 2.500 2.386 2.150 2.595 0.095 9 0 "[ . 1 ]" 2
489 1 45 LEU HA 1 46 TRP H 2.000 . 2.500 2.189 2.142 2.259 . 0 0 "[ . 1 ]" 2
490 1 46 TRP HA 1 47 TYR H 2.200 . 2.700 2.225 2.136 2.347 . 0 0 "[ . 1 ]" 2
491 1 47 TYR HA 1 48 THR H 2.000 . 2.500 2.335 2.145 2.496 . 0 0 "[ . 1 ]" 2
492 1 48 THR HA 1 49 LYS H 2.700 . 3.200 2.264 2.160 2.516 . 0 0 "[ . 1 ]" 2
493 1 51 ALA H 1 51 ALA HA 2.300 . 2.800 2.714 2.298 2.932 0.132 10 0 "[ . 1 ]" 2
494 1 51 ALA H 1 51 ALA MB 3.000 . 3.500 2.850 2.457 3.043 . 0 0 "[ . 1 ]" 2
495 1 51 ALA HA 1 52 VAL H 2.800 . 3.300 3.310 2.114 3.527 0.227 9 0 "[ . 1 ]" 2
496 1 52 VAL HB 1 53 ASP H 3.800 . 3.800 3.534 2.551 3.998 0.198 11 0 "[ . 1 ]" 2
497 1 53 ASP H 1 53 ASP HA 2.300 . 2.800 2.599 2.274 2.887 0.087 10 0 "[ . 1 ]" 2
498 1 53 ASP HA 1 54 LYS H 2.700 . 3.200 3.043 2.254 3.442 0.242 3 0 "[ . 1 ]" 2
499 1 53 ASP HA 1 55 SER H 3.300 . 3.800 3.691 2.975 3.846 0.046 3 0 "[ . 1 ]" 2
500 1 53 ASP HA 1 56 GLU H 3.800 . 4.300 3.393 2.599 4.350 0.050 6 0 "[ . 1 ]" 2
501 1 54 LYS H 1 54 LYS HA 2.300 . 2.800 2.616 2.282 2.885 0.085 10 0 "[ . 1 ]" 2
502 1 54 LYS HA 1 55 SER H 2.800 . 3.300 3.320 3.049 3.494 0.194 1 0 "[ . 1 ]" 2
503 1 55 SER H 1 55 SER HA 2.300 . 2.800 2.697 2.318 2.927 0.127 3 0 "[ . 1 ]" 2
504 1 56 GLU H 1 56 GLU HA 2.400 . 2.900 2.617 2.267 2.923 0.023 3 0 "[ . 1 ]" 2
505 1 57 SER H 1 57 SER HA 2.300 . 2.800 2.788 2.661 2.930 0.130 10 0 "[ . 1 ]" 2
506 1 58 TRP H 1 58 TRP HA 2.300 . 2.800 2.746 2.722 2.756 . 0 0 "[ . 1 ]" 2
507 1 61 LEU H 1 61 LEU HA 2.400 . 2.900 2.915 2.869 2.935 0.035 6 0 "[ . 1 ]" 2
508 1 61 LEU H 1 61 LEU HG 3.400 . 3.800 1.895 1.798 2.013 0.002 3 0 "[ . 1 ]" 2
509 1 62 LEU HA 1 63 ARG H 2.000 . 2.500 2.147 2.119 2.283 . 0 0 "[ . 1 ]" 2
510 1 64 PRO HA 1 65 VAL H 2.000 . 2.500 2.147 2.117 2.181 . 0 0 "[ . 1 ]" 2
511 1 65 VAL HA 1 66 THR H 2.700 . 3.200 2.889 2.656 3.157 . 0 0 "[ . 1 ]" 2
512 1 66 THR HA 1 67 SER H 2.000 . 2.500 2.094 2.044 2.190 . 0 0 "[ . 1 ]" 2
513 1 67 SER HA 1 68 PHE H 2.500 . 3.000 2.367 2.218 2.700 . 0 0 "[ . 1 ]" 2
514 1 68 PHE HA 1 69 GLN H 2.500 . 3.000 2.603 2.431 2.651 . 0 0 "[ . 1 ]" 2
515 1 65 VAL H 1 65 VAL HB 3.300 . 3.800 3.383 3.033 3.837 0.037 1 0 "[ . 1 ]" 2
516 1 65 VAL HB 1 66 THR H 2.700 . 3.200 1.932 1.722 2.172 0.078 1 0 "[ . 1 ]" 2
517 1 66 THR H 1 66 THR HA 2.300 . 2.800 2.672 2.497 2.916 0.116 9 0 "[ . 1 ]" 2
518 1 74 PHE H 1 74 PHE HA 2.300 . 2.800 2.771 2.743 2.819 0.019 8 0 "[ . 1 ]" 2
519 1 76 ALA H 1 76 ALA MB 2.700 . 3.200 2.087 2.025 2.222 . 0 0 "[ . 1 ]" 2
520 1 77 ILE H 1 77 ILE HB 3.300 . 3.800 2.360 2.278 2.458 . 0 0 "[ . 1 ]" 2
521 1 77 ILE HB 1 78 ILE H 3.000 . 3.500 2.928 2.672 3.170 . 0 0 "[ . 1 ]" 2
522 1 78 ILE H 1 78 ILE HB 3.000 . 3.500 2.914 2.640 3.654 0.154 8 0 "[ . 1 ]" 2
523 1 78 ILE H 1 78 ILE MG . . 4.200 3.615 2.587 3.768 . 0 0 "[ . 1 ]" 2
524 1 78 ILE MG 1 79 GLN H 4.200 . 4.700 3.945 3.604 4.045 . 0 0 "[ . 1 ]" 2
525 1 80 ASN H 1 80 ASN HA 2.400 . 2.900 2.820 2.776 2.841 . 0 0 "[ . 1 ]" 2
526 1 81 ILE H 1 81 ILE HA 2.300 . 2.800 2.310 2.245 2.461 . 0 0 "[ . 1 ]" 2
527 1 85 HIS H 1 85 HIS HA 2.400 . 2.900 2.445 2.276 2.941 0.041 8 0 "[ . 1 ]" 2
528 1 86 GLU H 1 86 GLU HA 2.400 . 2.900 2.934 2.905 2.941 0.041 4 0 "[ . 1 ]" 2
529 1 87 LEU H 1 87 LEU HA 2.400 . 2.900 2.933 2.912 2.942 0.042 10 0 "[ . 1 ]" 2
530 1 87 LEU H 1 87 LEU HG 3.700 . 3.800 3.149 1.885 3.914 0.114 4 0 "[ . 1 ]" 2
531 1 88 PRO HA 1 89 LEU H 2.700 . 3.200 2.630 2.172 2.933 . 0 0 "[ . 1 ]" 2
532 1 89 LEU H 1 89 LEU HA 2.300 . 2.800 2.421 2.280 2.854 0.054 8 0 "[ . 1 ]" 2
533 1 89 LEU HA 1 90 LYS H 3.000 . 3.500 2.797 2.643 3.463 . 0 0 "[ . 1 ]" 2
534 1 90 LYS H 1 90 LYS HA 2.300 . 2.800 2.313 2.258 2.585 . 0 0 "[ . 1 ]" 2
535 1 90 LYS HA 1 91 SER H 2.700 . 3.200 2.926 2.355 3.075 . 0 0 "[ . 1 ]" 2
536 1 91 SER H 1 91 SER HA 2.400 . 2.900 2.912 2.872 2.945 0.045 8 0 "[ . 1 ]" 2
537 1 91 SER HA 1 92 ASP H 2.000 . 2.500 2.465 2.369 2.536 0.036 11 0 "[ . 1 ]" 2
538 1 92 ASP HA 1 93 TYR H 2.000 . 2.500 2.177 2.145 2.293 . 0 0 "[ . 1 ]" 2
539 1 93 TYR HA 1 94 HIS H 2.000 . 2.500 2.295 2.157 2.516 0.016 4 0 "[ . 1 ]" 2
540 1 95 VAL HA 1 96 PHE H 2.000 . 2.500 2.185 2.150 2.268 . 0 0 "[ . 1 ]" 2
541 1 93 TYR H 1 154 LEU HG 3.800 . 4.300 4.131 3.777 4.314 0.014 3 0 "[ . 1 ]" 2
542 1 97 ARG H 1 97 ARG QG 3.800 2.200 4.200 3.269 2.288 3.933 . 0 0 "[ . 1 ]" 2
543 1 108 ALA H 1 108 ALA MB 2.700 . 3.200 2.173 2.074 2.253 . 0 0 "[ . 1 ]" 2
544 1 110 ALA H 1 110 ALA HA 2.300 . 2.800 2.852 2.690 2.897 0.097 6 0 "[ . 1 ]" 2
545 1 110 ALA H 1 110 ALA MB 2.700 . 3.200 2.051 1.994 2.115 . 0 0 "[ . 1 ]" 2
546 1 110 ALA MB 1 111 LYS H 2.700 . 3.200 2.218 1.773 2.789 0.027 2 0 "[ . 1 ]" 2
547 1 114 LYS HA 1 115 TRP H 2.000 . 2.500 2.152 2.133 2.169 . 0 0 "[ . 1 ]" 2
548 1 116 SER HA 1 117 PHE H 2.000 . 2.500 2.281 2.121 2.520 0.020 8 0 "[ . 1 ]" 2
549 1 118 GLN HA 1 119 LEU H 2.000 . 2.500 2.174 2.138 2.259 . 0 0 "[ . 1 ]" 2
550 1 125 ASP H 1 125 ASP HA 2.400 . 2.900 2.822 2.722 2.916 0.016 4 0 "[ . 1 ]" 2
551 1 125 ASP HA 1 126 ILE H 2.700 . 3.200 2.863 2.726 3.043 . 0 0 "[ . 1 ]" 2
552 1 126 ILE H 1 126 ILE MG 3.800 . 4.300 3.225 1.824 3.773 . 0 0 "[ . 1 ]" 2
553 1 131 LEU QB 1 133 THR H 4.000 . 4.500 4.181 4.161 4.201 . 0 0 "[ . 1 ]" 2
554 1 133 THR H 1 133 THR HB 2.700 . 3.200 2.924 2.315 3.174 . 0 0 "[ . 1 ]" 2
555 1 133 THR HB 1 134 LEU H 2.700 . 3.200 2.776 2.637 2.960 . 0 0 "[ . 1 ]" 2
556 1 134 LEU H 1 134 LEU HG 2.700 . 3.200 2.560 2.094 3.025 . 0 0 "[ . 1 ]" 2
557 1 136 ALA H 1 136 ALA MB 2.700 . 3.200 2.106 2.012 2.187 . 0 0 "[ . 1 ]" 2
558 1 137 VAL H 1 137 VAL HB 2.700 . 3.200 2.179 2.032 3.518 0.318 2 0 "[ . 1 ]" 2
559 1 138 ILE H 1 138 ILE MD 3.800 . 4.300 3.696 3.511 3.771 . 0 0 "[ . 1 ]" 2
560 1 140 GLU H 1 140 GLU HA 2.300 . 2.800 2.887 2.705 2.931 0.131 2 0 "[ . 1 ]" 2
561 1 141 THR H 1 141 THR HA 2.300 . 2.800 2.883 2.814 2.932 0.132 9 0 "[ . 1 ]" 2
562 1 143 ASP H 1 143 ASP HA 2.400 . 2.900 2.635 2.345 2.905 0.005 9 0 "[ . 1 ]" 2
563 1 145 ASP H 1 145 ASP HA 2.400 . 2.900 2.806 2.299 2.940 0.040 11 0 "[ . 1 ]" 2
564 1 149 ILE HA 1 150 ASN H 3.100 . 3.600 2.571 2.421 2.760 . 0 0 "[ . 1 ]" 2
565 1 152 VAL HA 1 153 VAL H 2.000 . 2.500 2.343 2.175 2.420 . 0 0 "[ . 1 ]" 2
566 1 152 VAL MG1 1 153 VAL H 3.800 . 4.300 3.483 3.386 3.549 . 0 0 "[ . 1 ]" 2
567 1 153 VAL HA 1 154 LEU H 2.000 . 2.500 2.349 2.284 2.393 . 0 0 "[ . 1 ]" 2
568 1 154 LEU H 1 154 LEU HG 4.000 . 4.500 4.596 4.572 4.616 0.116 6 0 "[ . 1 ]" 2
569 1 154 LEU HA 1 155 SER H 2.000 . 2.500 2.287 2.247 2.338 . 0 0 "[ . 1 ]" 2
570 1 155 SER HA 1 156 ILE H 2.000 . 2.500 2.144 2.129 2.156 . 0 0 "[ . 1 ]" 2
571 1 156 ILE HA 1 157 ARG H 2.000 . 2.500 2.289 2.249 2.339 . 0 0 "[ . 1 ]" 2
572 1 157 ARG H 1 157 ARG HA 2.400 . 2.900 2.862 2.721 2.918 0.018 2 0 "[ . 1 ]" 2
573 1 162 LYS HA 1 163 PHE H 2.000 . 2.500 2.150 2.134 2.202 . 0 0 "[ . 1 ]" 2
574 1 163 PHE HA 1 164 ALA H 2.000 . 2.500 2.210 2.166 2.271 . 0 0 "[ . 1 ]" 2
575 1 164 ALA HA 1 165 LEU H 2.000 . 2.500 2.232 2.176 2.393 . 0 0 "[ . 1 ]" 2
576 1 167 THR HA 1 168 LYS H 2.700 . 3.200 2.132 2.110 2.155 . 0 0 "[ . 1 ]" 2
577 1 167 THR HB 1 169 CYS H 2.300 . 2.800 2.607 2.470 2.852 0.052 7 0 "[ . 1 ]" 2
578 1 168 LYS H 1 168 LYS HA 2.300 . 2.800 2.678 2.583 2.770 . 0 0 "[ . 1 ]" 2
579 1 168 LYS HA 1 169 CYS H 3.000 . 3.500 3.488 3.462 3.517 0.017 11 0 "[ . 1 ]" 2
580 1 169 CYS HA 1 170 GLU H 3.300 . 3.800 3.537 3.522 3.557 . 0 0 "[ . 1 ]" 2
581 1 171 ASP H 1 171 ASP HA 2.300 . 2.800 2.296 2.277 2.319 . 0 0 "[ . 1 ]" 2
582 1 171 ASP HA 1 172 LYS H 2.700 . 3.200 2.353 2.137 3.280 0.080 5 0 "[ . 1 ]" 2
583 1 172 LYS H 1 172 LYS HA 2.300 . 2.800 2.736 2.261 2.870 0.070 10 0 "[ . 1 ]" 2
584 1 172 LYS HA 1 175 LEU H 2.300 . 2.800 3.008 2.952 3.060 0.260 9 0 "[ . 1 ]" 2
585 1 176 LEU H 1 176 LEU HG 3.100 . 3.600 3.756 3.719 3.780 0.180 8 0 "[ . 1 ]" 2
586 1 185 VAL H 1 185 VAL HB 3.700 . 3.800 2.627 2.493 2.719 . 0 0 "[ . 1 ]" 2
587 1 185 VAL HB 1 186 LEU H 2.700 . 3.200 2.700 2.617 2.763 . 0 0 "[ . 1 ]" 2
588 1 188 LEU H 1 188 LEU HG 2.700 . 3.200 2.855 1.911 3.230 0.030 3 0 "[ . 1 ]" 2
589 1 188 LEU HA 1 189 THR H 2.700 . 3.200 2.940 2.704 3.521 0.321 11 0 "[ . 1 ]" 2
590 1 189 THR H 1 189 THR HA 2.300 . 2.800 2.731 2.321 2.860 0.060 5 0 "[ . 1 ]" 2
591 1 189 THR H 1 189 THR HB 3.000 . 3.500 3.387 2.621 3.563 0.063 3 0 "[ . 1 ]" 2
592 1 191 ASP H 1 191 ASP HA 2.300 . 2.800 2.776 2.303 2.929 0.129 4 0 "[ . 1 ]" 2
593 1 193 HIS HA 1 194 LEU H 3.000 . 3.500 2.823 2.092 3.566 0.066 2 0 "[ . 1 ]" 2
594 1 195 GLU H 1 195 GLU HA 2.400 . 2.900 2.904 2.874 2.941 0.041 6 0 "[ . 1 ]" 2
595 1 195 GLU HA 1 196 PHE H 2.000 . 2.500 2.176 2.133 2.208 . 0 0 "[ . 1 ]" 2
596 1 196 PHE HA 1 197 PHE H 2.000 . 2.500 2.150 2.122 2.203 . 0 0 "[ . 1 ]" 2
597 1 200 CYS H 1 200 CYS HA 2.400 . 2.900 2.713 2.640 2.790 . 0 0 "[ . 1 ]" 2
598 1 206 HIS H 1 206 HIS HA 2.300 . 2.800 2.707 2.277 2.915 0.115 9 0 "[ . 1 ]" 2
599 1 211 ILE HA 1 212 THR H 2.000 . 2.500 2.427 2.366 2.497 . 0 0 "[ . 1 ]" 2
600 1 211 ILE HB 1 212 THR H 2.700 . 3.200 2.621 2.340 2.998 . 0 0 "[ . 1 ]" 2
601 1 212 THR H 1 212 THR HA 2.400 . 2.900 2.903 2.886 2.919 0.019 3 0 "[ . 1 ]" 2
602 1 212 THR H 1 212 THR HB 3.700 . 3.800 3.848 3.810 3.905 0.105 8 0 "[ . 1 ]" 2
603 1 212 THR HA 1 213 LEU H 2.000 . 2.500 2.162 2.139 2.187 . 0 0 "[ . 1 ]" 2
604 1 213 LEU H 1 213 LEU HG 2.700 . 3.200 3.238 3.215 3.263 0.063 3 0 "[ . 1 ]" 2
605 1 41 THR H 1 42 LYS H 4.600 . 5.000 4.380 4.296 4.456 . 0 0 "[ . 1 ]" 2
606 1 41 THR H 1 43 TRP HE1 4.600 2.200 5.100 4.169 3.276 5.001 . 0 0 "[ . 1 ]" 2
607 1 43 TRP H 1 43 TRP HE1 4.600 . 5.100 4.453 4.094 4.867 . 0 0 "[ . 1 ]" 2
608 1 43 TRP H 1 67 SER H 6.000 . 6.500 6.390 5.995 6.607 0.107 3 0 "[ . 1 ]" 2
609 1 43 TRP H 1 68 PHE H 4.000 . 4.500 3.969 3.598 4.511 0.011 9 0 "[ . 1 ]" 2
610 1 43 TRP H 1 69 GLN QE 6.000 . 6.500 3.678 2.831 5.745 . 0 0 "[ . 1 ]" 2
611 1 44 THR H 1 46 TRP H 5.600 . 6.100 6.055 5.776 6.300 0.200 4 0 "[ . 1 ]" 2
612 1 44 THR H 1 96 PHE H 2.800 . 3.300 2.788 2.501 3.114 . 0 0 "[ . 1 ]" 2
613 1 45 LEU H 1 46 TRP H 4.600 . 5.100 4.178 3.877 4.464 . 0 0 "[ . 1 ]" 2
614 1 45 LEU H 1 65 VAL H 4.000 . 4.500 3.779 3.079 4.458 . 0 0 "[ . 1 ]" 2
615 1 45 LEU H 1 66 THR H 4.000 . 4.500 4.335 4.101 4.527 0.027 1 0 "[ . 1 ]" 2
616 1 46 TRP H 1 47 TYR H . . 4.500 4.448 4.377 4.511 0.011 7 0 "[ . 1 ]" 2
617 1 46 TRP H 1 94 HIS H 3.400 . 3.500 3.439 3.013 3.581 0.081 11 0 "[ . 1 ]" 2
618 1 46 TRP H 1 96 PHE H 4.600 . 5.100 5.038 4.845 5.152 0.052 2 0 "[ . 1 ]" 2
619 1 46 TRP HE1 1 96 PHE H 5.600 . 6.100 4.569 2.563 5.826 . 0 0 "[ . 1 ]" 2
620 1 47 TYR H 1 48 THR H 4.600 . 5.100 4.404 4.178 4.512 . 0 0 "[ . 1 ]" 2
621 1 47 TYR H 1 63 ARG H 2.800 . 3.100 3.038 2.585 3.251 0.151 9 0 "[ . 1 ]" 2
622 1 48 THR H 1 92 ASP H 2.800 2.200 3.300 3.298 2.872 3.432 0.132 6 0 "[ . 1 ]" 2
623 1 51 ALA H 1 52 VAL H . . 3.600 2.319 1.798 3.620 0.020 11 0 "[ . 1 ]" 2
624 1 52 VAL H 1 53 ASP H 2.500 . 3.000 2.663 2.332 2.993 . 0 0 "[ . 1 ]" 2
625 1 53 ASP H 1 54 LYS H . . 3.800 3.016 2.330 4.020 0.220 7 0 "[ . 1 ]" 2
626 1 54 LYS H 1 55 SER H 3.600 . 4.000 2.776 2.567 2.952 . 0 0 "[ . 1 ]" 2
627 1 55 SER H 1 56 GLU H 2.500 . 3.000 1.891 1.732 2.263 0.068 5 0 "[ . 1 ]" 2
628 1 55 SER H 1 57 SER H 4.600 . 5.100 4.764 3.665 5.228 0.128 6 0 "[ . 1 ]" 2
629 1 56 GLU H 1 57 SER H . . 3.600 3.266 2.821 3.544 . 0 0 "[ . 1 ]" 2
630 1 57 SER H 1 61 LEU H . . 4.200 4.261 4.106 4.303 0.103 8 0 "[ . 1 ]" 2
631 1 58 TRP H 1 59 SER H 3.300 . 3.500 2.733 2.681 2.802 . 0 0 "[ . 1 ]" 2
632 1 59 SER H 1 60 ASP H 2.500 . 3.000 2.360 2.283 2.581 . 0 0 "[ . 1 ]" 2
633 1 59 SER H 1 61 LEU H 4.600 . 5.100 3.959 3.843 4.214 . 0 0 "[ . 1 ]" 2
634 1 60 ASP H 1 61 LEU H 2.500 . 3.000 2.244 2.150 2.350 . 0 0 "[ . 1 ]" 2
635 1 60 ASP H 1 62 LEU H 4.100 . 4.600 4.355 4.236 4.550 . 0 0 "[ . 1 ]" 2
636 1 61 LEU H 1 62 LEU H 2.500 . 3.000 2.536 2.410 2.778 . 0 0 "[ . 1 ]" 2
637 1 65 VAL H 1 66 THR H 3.600 2.200 4.100 4.162 3.954 4.322 0.222 4 0 "[ . 1 ]" 2
638 1 66 THR H 1 67 SER H 4.600 . 5.100 4.275 4.071 4.390 . 0 0 "[ . 1 ]" 2
639 1 67 SER H 1 68 PHE H 4.600 . 5.100 3.788 3.347 4.293 . 0 0 "[ . 1 ]" 2
640 1 68 PHE H 1 69 GLN H 4.600 . 5.000 4.362 4.324 4.381 . 0 0 "[ . 1 ]" 2
641 1 69 GLN H 1 70 THR H 3.000 . 3.500 2.932 1.943 3.570 0.070 9 0 "[ . 1 ]" 2
642 1 69 GLN QE 1 70 THR H 5.600 . 6.100 4.861 4.057 5.534 . 0 0 "[ . 1 ]" 2
643 1 70 THR H 1 71 VAL H . . 4.100 3.690 3.290 4.283 0.183 3 0 "[ . 1 ]" 2
644 1 71 VAL H 1 72 GLU H 2.500 . 3.000 1.971 1.774 2.257 0.026 6 0 "[ . 1 ]" 2
645 1 71 VAL H 1 73 GLU H 4.600 . 5.100 3.288 2.785 4.416 . 0 0 "[ . 1 ]" 2
646 1 72 GLU H 1 73 GLU H 2.500 . 3.000 2.931 2.625 3.093 0.093 2 0 "[ . 1 ]" 2
647 1 72 GLU H 1 74 PHE H 4.600 . 5.100 4.846 4.536 5.156 0.056 1 0 "[ . 1 ]" 2
648 1 73 GLU H 1 74 PHE H 2.500 . 3.000 2.934 2.745 3.106 0.106 2 0 "[ . 1 ]" 2
649 1 73 GLU H 1 75 TRP H 4.100 . 4.600 3.995 3.666 4.488 . 0 0 "[ . 1 ]" 2
650 1 74 PHE H 1 75 TRP H 2.600 . 3.100 2.810 2.633 2.893 . 0 0 "[ . 1 ]" 2
651 1 74 PHE H 1 76 ALA H 4.100 . 4.600 4.400 4.189 4.557 . 0 0 "[ . 1 ]" 2
652 1 75 TRP H 1 76 ALA H 2.500 . 3.000 2.810 2.569 2.978 . 0 0 "[ . 1 ]" 2
653 1 75 TRP H 1 77 ILE H 4.600 . 5.100 4.689 4.328 5.114 0.014 11 0 "[ . 1 ]" 2
654 1 78 ILE H 1 80 ASN H 4.100 . 4.600 4.013 3.852 4.406 . 0 0 "[ . 1 ]" 2
655 1 79 GLN H 1 80 ASN H 2.500 . 3.000 2.770 2.640 2.933 . 0 0 "[ . 1 ]" 2
656 1 79 GLN H 1 80 ASN QD . . 5.200 3.729 3.331 4.613 . 0 0 "[ . 1 ]" 2
657 1 79 GLN H 1 81 ILE H 4.600 . 5.100 4.164 3.997 4.395 . 0 0 "[ . 1 ]" 2
658 1 80 ASN H 1 80 ASN QD . . 4.100 1.959 1.716 2.448 0.084 4 0 "[ . 1 ]" 2
659 1 80 ASN H 1 81 ILE H 2.500 . 3.000 2.552 2.472 2.649 . 0 0 "[ . 1 ]" 2
660 1 80 ASN QD 1 81 ILE H 4.800 . 4.900 3.878 2.361 4.194 . 0 0 "[ . 1 ]" 2
661 1 81 ILE H 1 83 GLU H 5.000 2.200 5.500 4.812 4.575 5.586 0.086 3 0 "[ . 1 ]" 2
662 1 83 GLU H 1 85 HIS H 4.600 . 5.100 4.881 2.719 5.180 0.080 6 0 "[ . 1 ]" 2
663 1 85 HIS H 1 86 GLU H 2.600 . 3.100 2.449 1.935 2.694 . 0 0 "[ . 1 ]" 2
664 1 85 HIS H 1 87 LEU H 4.600 . 5.100 3.908 3.657 4.161 . 0 0 "[ . 1 ]" 2
665 1 86 GLU H 1 87 LEU H 2.800 . 3.100 1.917 1.802 2.089 . 0 0 "[ . 1 ]" 2
666 1 89 LEU H 1 90 LYS H 4.800 . 5.300 4.484 3.292 4.640 . 0 0 "[ . 1 ]" 2
667 1 90 LYS H 1 91 SER H 2.800 . 3.100 2.671 2.250 2.824 . 0 0 "[ . 1 ]" 2
668 1 90 LYS H 1 156 ILE H 4.600 . 5.100 4.775 4.447 5.174 0.074 8 0 "[ . 1 ]" 2
669 1 91 SER H 1 92 ASP H 4.600 . 5.000 4.564 4.469 4.628 . 0 0 "[ . 1 ]" 2
670 1 91 SER H 1 156 ILE H . . 4.500 3.019 2.939 3.115 . 0 0 "[ . 1 ]" 2
671 1 93 TYR H 1 154 LEU H 2.500 . 3.000 2.864 2.598 3.049 0.049 8 0 "[ . 1 ]" 2
672 1 95 VAL H 1 96 PHE H 4.600 . 5.100 4.129 3.676 4.415 . 0 0 "[ . 1 ]" 2
673 1 95 VAL H 1 152 VAL H 3.700 . 3.800 3.642 3.341 3.834 0.034 6 0 "[ . 1 ]" 2
674 1 98 ASN H 1 98 ASN QD . . 5.300 2.281 1.840 3.423 . 0 0 "[ . 1 ]" 2
675 1 98 ASN H 1 99 ASP H 2.900 . 3.400 2.761 2.052 3.174 . 0 0 "[ . 1 ]" 2
676 1 99 ASP H 1 100 VAL H 2.500 . 3.000 2.378 1.874 3.021 0.021 4 0 "[ . 1 ]" 2
677 1 100 VAL H 1 101 ARG H 3.300 2.200 3.800 3.873 3.814 3.980 0.180 3 0 "[ . 1 ]" 2
678 1 103 GLU H 1 109 ASN QD 5.500 . 6.000 5.311 4.623 5.529 . 0 0 "[ . 1 ]" 2
679 1 104 TRP H 1 104 TRP HE1 6.600 . 7.000 6.401 4.331 7.065 0.065 6 0 "[ . 1 ]" 2
680 1 104 TRP H 1 105 GLU H 2.500 . 3.000 2.687 2.570 2.788 . 0 0 "[ . 1 ]" 2
681 1 105 GLU H 1 106 ASP H 2.500 . 3.000 2.441 2.260 2.608 . 0 0 "[ . 1 ]" 2
682 1 106 ASP H 1 107 GLU H 4.600 . 4.700 1.925 1.749 2.697 0.051 3 0 "[ . 1 ]" 2
683 1 106 ASP H 1 108 ALA H 4.600 . 5.100 3.010 2.590 3.566 . 0 0 "[ . 1 ]" 2
684 1 106 ASP H 1 109 ASN QD 5.000 . 5.100 3.634 2.499 4.406 . 0 0 "[ . 1 ]" 2
685 1 107 GLU H 1 108 ALA H 2.500 . 3.000 2.611 2.406 2.818 . 0 0 "[ . 1 ]" 2
686 1 107 GLU H 1 109 ASN H 4.600 . 4.700 3.900 3.540 4.358 . 0 0 "[ . 1 ]" 2
687 1 108 ALA H 1 109 ASN H 2.500 . 3.000 2.433 2.192 2.687 . 0 0 "[ . 1 ]" 2
688 1 108 ALA H 1 110 ALA H 4.100 . 4.600 3.767 3.362 3.935 . 0 0 "[ . 1 ]" 2
689 1 109 ASN H 1 110 ALA H 2.500 . 3.000 2.490 2.122 2.642 . 0 0 "[ . 1 ]" 2
690 1 109 ASN H 1 111 LYS H 4.600 . 5.100 4.394 4.013 4.976 . 0 0 "[ . 1 ]" 2
691 1 110 ALA H 1 111 LYS H 3.100 . 3.300 2.639 2.296 2.964 . 0 0 "[ . 1 ]" 2
692 1 110 ALA H 1 112 GLY H 4.100 . 4.600 3.824 3.678 4.295 . 0 0 "[ . 1 ]" 2
693 1 111 LYS H 1 112 GLY H 2.500 . 3.000 2.633 1.802 2.865 . 0 0 "[ . 1 ]" 2
694 1 111 LYS H 1 113 GLY H 4.600 . 5.100 5.009 4.753 5.167 0.067 3 0 "[ . 1 ]" 2
695 1 112 GLY H 1 113 GLY H 2.700 . 3.200 3.156 2.873 3.448 0.248 10 0 "[ . 1 ]" 2
696 1 113 GLY H 1 167 THR H 2.500 . 3.000 3.208 3.048 3.290 0.290 1 0 "[ . 1 ]" 2
697 1 113 GLY H 1 169 CYS H 4.600 . 5.100 5.174 5.104 5.267 0.167 10 0 "[ . 1 ]" 2
698 1 114 LYS H 1 197 PHE H 2.800 . 3.300 3.218 2.923 3.345 0.045 8 0 "[ . 1 ]" 2
699 1 114 LYS H 1 199 HIS H 4.600 . 5.100 3.878 3.269 4.525 . 0 0 "[ . 1 ]" 2
700 1 115 TRP H 1 165 LEU H 2.500 . 3.000 2.786 2.402 3.071 0.071 2 0 "[ . 1 ]" 2
701 1 115 TRP HE1 1 178 ILE H 4.600 . 5.100 4.991 4.728 5.097 . 0 0 "[ . 1 ]" 2
702 1 115 TRP HE1 1 179 GLY H 2.800 . 3.300 3.084 2.973 3.257 . 0 0 "[ . 1 ]" 2
703 1 115 TRP HE1 1 180 GLY H 5.000 2.200 5.500 4.454 4.080 4.630 . 0 0 "[ . 1 ]" 2
704 1 116 SER H 1 117 PHE H 4.600 . 5.100 4.497 4.355 4.578 . 0 0 "[ . 1 ]" 2
705 1 116 SER H 1 195 GLU H 2.700 . 3.200 3.203 2.885 3.293 0.093 3 0 "[ . 1 ]" 2
706 1 117 PHE H 1 163 PHE H 2.500 . 3.000 2.730 2.396 2.989 . 0 0 "[ . 1 ]" 2
707 1 118 GLN H 1 119 LEU H 4.000 . 4.500 4.408 4.112 4.566 0.066 7 0 "[ . 1 ]" 2
708 1 119 LEU H 1 161 ASN H . . 3.900 3.341 2.515 3.931 0.031 6 0 "[ . 1 ]" 2
709 1 123 GLY H 1 124 ALA H 2.500 . 3.000 2.820 1.874 3.063 0.063 2 0 "[ . 1 ]" 2
710 1 124 ALA H 1 125 ASP H 2.500 . 3.000 2.554 1.920 3.034 0.034 5 0 "[ . 1 ]" 2
711 1 124 ALA H 1 126 ILE H 4.100 . 4.600 3.312 2.931 3.951 . 0 0 "[ . 1 ]" 2
712 1 125 ASP H 1 126 ILE H 2.500 . 3.000 2.014 1.858 2.314 . 0 0 "[ . 1 ]" 2
713 1 125 ASP H 1 127 ASP H 4.100 . 4.600 4.402 4.260 4.523 . 0 0 "[ . 1 ]" 2
714 1 128 GLU H 1 129 LEU H 2.500 . 3.000 2.286 2.208 2.384 . 0 0 "[ . 1 ]" 2
715 1 129 LEU H 1 130 TRP H 2.500 . 3.000 2.493 2.287 2.706 . 0 0 "[ . 1 ]" 2
716 1 129 LEU H 1 131 LEU H 4.100 . 4.600 3.742 3.515 3.968 . 0 0 "[ . 1 ]" 2
717 1 130 TRP H 1 131 LEU H 2.700 . 3.200 2.514 2.400 2.675 . 0 0 "[ . 1 ]" 2
718 1 131 LEU H 1 132 CYS H 2.500 . 3.000 2.812 2.682 3.020 0.020 3 0 "[ . 1 ]" 2
719 1 132 CYS H 1 133 THR H 2.500 . 3.000 2.777 2.593 2.916 . 0 0 "[ . 1 ]" 2
720 1 133 THR H 1 134 LEU H 2.500 . 3.000 2.435 2.350 2.501 . 0 0 "[ . 1 ]" 2
721 1 135 LEU H 1 136 ALA H 2.500 . 3.000 2.847 2.579 2.991 . 0 0 "[ . 1 ]" 2
722 1 136 ALA H 1 137 VAL H 2.500 . 3.000 2.532 2.258 2.784 . 0 0 "[ . 1 ]" 2
723 1 136 ALA H 1 138 ILE H 4.600 . 5.100 4.255 3.963 4.475 . 0 0 "[ . 1 ]" 2
724 1 137 VAL H 1 138 ILE H 2.700 . 3.100 2.731 2.613 2.884 . 0 0 "[ . 1 ]" 2
725 1 137 VAL H 1 139 GLY H 4.600 . 5.100 4.288 3.983 4.819 . 0 0 "[ . 1 ]" 2
726 1 138 ILE H 1 139 GLY H 2.600 . 3.100 2.390 2.239 2.615 . 0 0 "[ . 1 ]" 2
727 1 139 GLY H 1 141 THR H 4.100 . 4.600 4.540 3.610 4.738 0.138 11 0 "[ . 1 ]" 2
728 1 140 GLU H 1 141 THR H 2.500 . 3.000 2.712 1.828 3.030 0.030 2 0 "[ . 1 ]" 2
729 1 140 GLU H 1 142 ILE H 4.600 . 5.100 4.855 3.830 5.143 0.043 10 0 "[ . 1 ]" 2
730 1 141 THR H 1 142 ILE H 2.500 . 3.000 2.510 2.191 3.032 0.032 11 0 "[ . 1 ]" 2
731 1 141 THR H 1 143 ASP H 4.600 . 5.100 4.554 3.171 5.132 0.032 2 0 "[ . 1 ]" 2
732 1 142 ILE H 1 143 ASP H 2.500 . 3.000 2.928 2.669 3.029 0.029 2 0 "[ . 1 ]" 2
733 1 145 ASP H 1 146 ASP H 2.500 . 3.000 2.979 2.636 3.125 0.125 8 0 "[ . 1 ]" 2
734 1 146 ASP H 1 147 SER H 2.700 . 3.100 2.554 1.856 3.167 0.067 1 0 "[ . 1 ]" 2
735 1 150 ASN H 1 151 GLY H 2.500 . 3.000 2.013 1.875 2.117 . 0 0 "[ . 1 ]" 2
736 1 150 ASN H 1 166 TRP H 4.600 . 5.100 5.149 5.067 5.233 0.133 8 0 "[ . 1 ]" 2
737 1 150 ASN H 1 167 THR H 4.600 . 4.900 4.667 4.434 4.923 0.023 10 0 "[ . 1 ]" 2
738 1 151 GLY H 1 166 TRP H 3.600 . 3.700 3.791 3.741 3.870 0.170 7 0 "[ . 1 ]" 2
739 1 153 VAL H 1 164 ALA H 2.800 . 3.300 3.332 3.256 3.367 0.067 11 0 "[ . 1 ]" 2
740 1 155 SER H 1 162 LYS H 3.200 . 3.300 3.372 3.335 3.430 0.130 6 0 "[ . 1 ]" 2
741 1 156 ILE H 1 157 ARG H 4.600 . 5.100 4.541 4.477 4.572 . 0 0 "[ . 1 ]" 2
742 1 157 ARG H 1 157 ARG HE 4.600 . 5.100 4.889 4.501 5.109 0.009 5 0 "[ . 1 ]" 2
743 1 157 ARG H 1 158 LYS H 4.600 . 5.100 3.533 1.807 4.396 . 0 0 "[ . 1 ]" 2
744 1 157 ARG H 1 162 LYS H 4.600 2.200 5.000 4.258 4.132 4.444 . 0 0 "[ . 1 ]" 2
745 1 159 GLY H 1 160 GLY H 3.500 . 3.900 2.890 2.522 3.306 . 0 0 "[ . 1 ]" 2
746 1 160 GLY H 1 161 ASN H . . 3.100 2.939 2.515 3.158 0.058 11 0 "[ . 1 ]" 2
747 1 161 ASN H 1 161 ASN QD . . 4.100 3.627 3.399 3.739 . 0 0 "[ . 1 ]" 2
748 1 161 ASN H 1 162 LYS H . . 4.500 4.426 4.219 4.624 0.124 2 0 "[ . 1 ]" 2
749 1 164 ALA H 1 165 LEU H 4.600 . 4.900 4.311 4.032 4.542 . 0 0 "[ . 1 ]" 2
750 1 166 TRP HE1 1 167 THR H 5.600 . 6.100 6.295 6.259 6.326 0.226 10 0 "[ . 1 ]" 2
751 1 168 LYS H 1 169 CYS H 2.500 . 3.000 2.914 2.732 3.114 0.114 7 0 "[ . 1 ]" 2
752 1 169 CYS H 1 170 GLU H 2.800 . 3.300 3.318 3.202 3.381 0.081 2 0 "[ . 1 ]" 2
753 1 170 GLU H 1 171 ASP H 2.500 . 3.000 2.972 2.701 3.090 0.090 2 0 "[ . 1 ]" 2
754 1 171 ASP H 1 172 LYS H . . 3.800 3.676 2.509 3.976 0.176 8 0 "[ . 1 ]" 2
755 1 172 LYS H 1 173 GLU H 2.500 . 3.000 2.635 2.436 3.033 0.033 5 0 "[ . 1 ]" 2
756 1 173 GLU H 1 175 LEU H 4.100 . 4.600 3.829 3.672 3.922 . 0 0 "[ . 1 ]" 2
757 1 175 LEU H 1 176 LEU H 2.800 . 3.100 2.654 2.573 2.744 . 0 0 "[ . 1 ]" 2
758 1 176 LEU H 1 177 ARG H 2.500 . 3.000 2.692 2.626 2.736 . 0 0 "[ . 1 ]" 2
759 1 177 ARG H 1 178 ILE H 2.500 . 3.000 2.520 2.339 2.620 . 0 0 "[ . 1 ]" 2
760 1 178 ILE H 1 179 GLY H 2.500 . 3.000 2.759 2.595 2.833 . 0 0 "[ . 1 ]" 2
761 1 178 ILE H 1 180 GLY H 4.600 . 5.100 4.218 4.020 4.376 . 0 0 "[ . 1 ]" 2
762 1 179 GLY H 1 180 GLY H 2.500 . 3.000 2.909 2.775 2.992 . 0 0 "[ . 1 ]" 2
763 1 179 GLY H 1 181 LYS H 4.600 . 5.100 4.523 4.360 4.899 . 0 0 "[ . 1 ]" 2
764 1 180 GLY H 1 181 LYS H 2.500 . 3.000 2.919 2.825 2.982 . 0 0 "[ . 1 ]" 2
765 1 180 GLY H 1 182 PHE H 4.600 . 5.100 4.199 3.792 4.478 . 0 0 "[ . 1 ]" 2
766 1 181 LYS H 1 182 PHE H 2.500 . 3.000 2.679 2.375 2.774 . 0 0 "[ . 1 ]" 2
767 1 181 LYS H 1 183 LYS H 4.600 . 5.100 3.861 3.656 4.220 . 0 0 "[ . 1 ]" 2
768 1 182 PHE H 1 183 LYS H 2.500 . 3.000 2.566 2.422 2.725 . 0 0 "[ . 1 ]" 2
769 1 182 PHE H 1 184 GLN H 4.600 . 5.100 4.588 3.895 4.817 . 0 0 "[ . 1 ]" 2
770 1 183 LYS H 1 184 GLN H 2.500 . 3.000 2.713 2.234 2.924 . 0 0 "[ . 1 ]" 2
771 1 183 LYS H 1 184 GLN QE 6.600 . 7.100 5.139 4.466 5.632 . 0 0 "[ . 1 ]" 2
772 1 184 GLN H 1 184 GLN QE 6.600 2.800 7.100 3.115 2.451 3.810 0.349 8 0 "[ . 1 ]" 2
773 1 184 GLN H 1 185 VAL H 2.500 . 3.000 2.691 2.501 2.874 . 0 0 "[ . 1 ]" 2
774 1 184 GLN H 1 186 LEU H 4.600 . 5.100 4.149 4.080 4.275 . 0 0 "[ . 1 ]" 2
775 1 184 GLN QE 1 187 LYS H 6.500 3.300 7.000 6.066 6.030 6.095 . 0 0 "[ . 1 ]" 2
776 1 184 GLN QE 1 185 VAL H 6.500 2.700 7.000 5.135 4.666 5.547 . 0 0 "[ . 1 ]" 2
777 1 184 GLN QE 1 188 LEU H 6.500 3.300 7.000 5.389 4.969 5.957 . 0 0 "[ . 1 ]" 2
778 1 185 VAL H 1 186 LEU H 2.500 . 3.000 2.719 2.682 2.764 . 0 0 "[ . 1 ]" 2
779 1 185 VAL H 1 187 LYS H 4.600 . 5.100 3.943 3.882 4.021 . 0 0 "[ . 1 ]" 2
780 1 186 LEU H 1 188 LEU H 4.600 . 5.100 3.882 3.580 4.131 . 0 0 "[ . 1 ]" 2
781 1 187 LYS H 1 188 LEU H 2.500 . 3.000 2.615 2.510 2.968 . 0 0 "[ . 1 ]" 2
782 1 189 THR H 1 190 ASP H 2.500 . 3.000 2.794 1.861 3.065 0.065 6 0 "[ . 1 ]" 2
783 1 191 ASP H 1 193 HIS H 4.600 . 5.100 4.664 4.057 5.018 . 0 0 "[ . 1 ]" 2
784 1 194 LEU H 1 213 LEU H 3.000 . 3.100 2.980 2.866 3.128 0.028 11 0 "[ . 1 ]" 2
785 1 195 GLU H 1 196 PHE H 4.000 . 4.500 3.910 3.610 4.383 . 0 0 "[ . 1 ]" 2
786 1 196 PHE H 1 211 ILE H . . 3.100 2.797 2.459 3.160 0.060 8 0 "[ . 1 ]" 2
787 1 199 HIS H 1 200 CYS H 2.500 . 3.000 2.909 2.652 3.009 0.009 1 0 "[ . 1 ]" 2
788 1 200 CYS H 1 201 SER H . . 3.100 2.865 2.708 3.059 . 0 0 "[ . 1 ]" 2
789 1 201 SER H 1 203 ASN H 4.600 . 5.100 4.019 3.452 4.600 . 0 0 "[ . 1 ]" 2
790 1 202 ALA H 1 203 ASN H 3.000 . 3.100 2.993 2.813 3.132 0.032 3 0 "[ . 1 ]" 2
791 1 202 ALA H 1 204 GLY H 4.600 . 5.100 4.672 4.011 5.190 0.090 11 0 "[ . 1 ]" 2
792 1 203 ASN H 1 203 ASN QD . . 4.900 2.119 1.807 2.896 . 0 0 "[ . 1 ]" 2
793 1 203 ASN H 1 204 GLY H 2.500 . 3.000 2.667 1.931 3.064 0.064 5 0 "[ . 1 ]" 2
794 1 203 ASN H 1 205 ARG H 4.600 . 5.100 4.186 3.075 5.104 0.004 2 0 "[ . 1 ]" 2
795 1 204 GLY H 1 205 ARG H . . 3.200 2.494 1.982 2.939 . 0 0 "[ . 1 ]" 2
796 1 205 ARG H 1 206 HIS H 4.600 . 5.100 2.797 2.064 4.201 . 0 0 "[ . 1 ]" 2
797 1 210 SER H 1 211 ILE H 2.500 . 3.000 2.165 1.785 2.399 0.015 11 0 "[ . 1 ]" 2
798 1 212 THR H 1 213 LEU H 4.000 . 4.500 3.725 3.567 3.897 . 0 0 "[ . 1 ]" 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 764
_Distance_constraint_stats_list.Viol_count 479
_Distance_constraint_stats_list.Viol_total 466.675
_Distance_constraint_stats_list.Viol_max 0.430
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0886
_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 ASN 2.346 0.304 9 0 "[ . 1 ]"
1 41 THR 0.290 0.093 8 0 "[ . 1 ]"
1 42 LYS 2.413 0.304 9 0 "[ . 1 ]"
1 43 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 44 THR 1.611 0.140 5 0 "[ . 1 ]"
1 45 LEU 0.116 0.062 2 0 "[ . 1 ]"
1 46 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 47 TYR 0.104 0.084 3 0 "[ . 1 ]"
1 48 THR 1.304 0.215 3 0 "[ . 1 ]"
1 49 LYS 0.049 0.049 3 0 "[ . 1 ]"
1 51 ALA 0.066 0.066 3 0 "[ . 1 ]"
1 52 VAL 0.410 0.099 9 0 "[ . 1 ]"
1 53 ASP 0.105 0.105 3 0 "[ . 1 ]"
1 54 LYS 0.066 0.066 3 0 "[ . 1 ]"
1 55 SER 0.368 0.099 9 0 "[ . 1 ]"
1 56 GLU 0.056 0.023 6 0 "[ . 1 ]"
1 57 SER 2.422 0.241 3 0 "[ . 1 ]"
1 58 TRP 1.328 0.162 7 0 "[ . 1 ]"
1 59 SER 0.120 0.044 5 0 "[ . 1 ]"
1 60 ASP 2.407 0.241 3 0 "[ . 1 ]"
1 61 LEU 0.105 0.105 3 0 "[ . 1 ]"
1 62 LEU 2.624 0.215 3 0 "[ . 1 ]"
1 63 ARG 0.161 0.064 3 0 "[ . 1 ]"
1 64 PRO 0.104 0.084 3 0 "[ . 1 ]"
1 65 VAL 0.081 0.043 10 0 "[ . 1 ]"
1 66 THR 0.591 0.140 5 0 "[ . 1 ]"
1 67 SER 0.081 0.043 10 0 "[ . 1 ]"
1 68 PHE 0.583 0.129 9 0 "[ . 1 ]"
1 69 GLN 1.719 0.219 6 0 "[ . 1 ]"
1 70 THR 1.781 0.403 10 0 "[ . 1 ]"
1 71 VAL 1.914 0.403 10 0 "[ . 1 ]"
1 72 GLU 0.067 0.037 8 0 "[ . 1 ]"
1 73 GLU 1.429 0.219 6 0 "[ . 1 ]"
1 74 PHE 0.147 0.081 5 0 "[ . 1 ]"
1 75 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 79 GLN 0.098 0.086 7 0 "[ . 1 ]"
1 80 ASN 0.028 0.015 3 0 "[ . 1 ]"
1 81 ILE 0.086 0.086 7 0 "[ . 1 ]"
1 82 PRO 1.440 0.233 2 0 "[ . 1 ]"
1 83 GLU 0.108 0.093 3 0 "[ . 1 ]"
1 84 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 85 HIS 1.741 0.233 2 0 "[ . 1 ]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 87 LEU 0.208 0.123 8 0 "[ . 1 ]"
1 88 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 89 LEU 0.066 0.049 8 0 "[ . 1 ]"
1 90 LYS 1.746 0.257 6 0 "[ . 1 ]"
1 91 SER 1.600 0.181 4 0 "[ . 1 ]"
1 92 ASP 0.109 0.059 5 0 "[ . 1 ]"
1 93 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 94 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 96 PHE 0.867 0.167 9 0 "[ . 1 ]"
1 97 ARG 1.075 0.150 5 0 "[ . 1 ]"
1 98 ASN 0.021 0.021 4 0 "[ . 1 ]"
1 99 ASP 0.021 0.021 4 0 "[ . 1 ]"
1 100 VAL 0.867 0.167 9 0 "[ . 1 ]"
1 101 ARG 1.587 0.222 1 0 "[ . 1 ]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 104 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 106 ASP 2.344 0.359 6 0 "[ . 1 ]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 108 ALA 1.601 0.359 6 0 "[ . 1 ]"
1 109 ASN 0.019 0.019 5 0 "[ . 1 ]"
1 110 ALA 0.487 0.268 5 0 "[ . 1 ]"
1 111 LYS 0.102 0.056 11 0 "[ . 1 ]"
1 112 GLY 0.552 0.268 5 0 "[ . 1 ]"
1 113 GLY 0.831 0.158 10 0 "[ . 1 ]"
1 114 LYS 0.171 0.141 5 0 "[ . 1 ]"
1 115 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 116 SER 0.000 0.000 . 0 "[ . 1 ]"
1 117 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 118 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 119 LEU 0.337 0.105 9 0 "[ . 1 ]"
1 120 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 121 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 122 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 124 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 125 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 126 ILE 0.016 0.016 3 0 "[ . 1 ]"
1 127 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 128 GLU 0.016 0.016 3 0 "[ . 1 ]"
1 129 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 130 TRP 1.445 0.430 9 0 "[ . 1 ]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 132 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 133 THR 0.000 0.000 . 0 "[ . 1 ]"
1 134 LEU 0.098 0.042 9 0 "[ . 1 ]"
1 135 LEU 0.098 0.042 9 0 "[ . 1 ]"
1 136 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 137 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 138 ILE 0.983 0.121 8 0 "[ . 1 ]"
1 139 GLY 0.983 0.121 8 0 "[ . 1 ]"
1 140 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 141 THR 0.762 0.184 10 0 "[ . 1 ]"
1 142 ILE 0.632 0.293 9 0 "[ . 1 ]"
1 143 ASP 1.380 0.293 9 0 "[ . 1 ]"
1 144 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 145 ASP 0.603 0.165 8 0 "[ . 1 ]"
1 146 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 147 SER 0.517 0.165 8 0 "[ . 1 ]"
1 149 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 150 ASN 2.354 0.170 9 0 "[ . 1 ]"
1 151 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 152 VAL 1.871 0.137 1 0 "[ . 1 ]"
1 153 VAL 0.080 0.041 11 0 "[ . 1 ]"
1 154 LEU 0.797 0.087 10 0 "[ . 1 ]"
1 155 SER 1.600 0.181 4 0 "[ . 1 ]"
1 156 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 157 ARG 1.680 0.257 6 0 "[ . 1 ]"
1 158 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 160 GLY 0.052 0.033 6 0 "[ . 1 ]"
1 161 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 162 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 163 PHE 0.094 0.032 4 0 "[ . 1 ]"
1 164 ALA 0.492 0.087 10 0 "[ . 1 ]"
1 165 LEU 0.036 0.022 10 0 "[ . 1 ]"
1 166 TRP 2.019 0.170 9 0 "[ . 1 ]"
1 167 THR 0.583 0.141 5 0 "[ . 1 ]"
1 168 LYS 0.412 0.094 4 0 "[ . 1 ]"
1 169 CYS 0.073 0.038 7 0 "[ . 1 ]"
1 170 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 171 ASP 0.748 0.268 9 0 "[ . 1 ]"
1 172 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 173 GLU 0.675 0.268 9 0 "[ . 1 ]"
1 175 LEU 0.236 0.085 2 0 "[ . 1 ]"
1 176 LEU 0.247 0.085 2 0 "[ . 1 ]"
1 177 ARG 0.122 0.037 9 0 "[ . 1 ]"
1 178 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 179 GLY 0.011 0.011 5 0 "[ . 1 ]"
1 180 GLY 0.122 0.037 9 0 "[ . 1 ]"
1 181 LYS 0.192 0.050 5 0 "[ . 1 ]"
1 182 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 183 LYS 0.192 0.050 5 0 "[ . 1 ]"
1 184 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 185 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 186 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 187 LYS 0.311 0.085 3 0 "[ . 1 ]"
1 188 LEU 0.005 0.005 5 0 "[ . 1 ]"
1 189 THR 0.961 0.269 5 0 "[ . 1 ]"
1 191 ASP 0.645 0.269 5 0 "[ . 1 ]"
1 192 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 193 HIS 1.551 0.308 11 0 "[ . 1 ]"
1 194 LEU 1.447 0.244 9 0 "[ . 1 ]"
1 195 GLU 0.201 0.113 3 0 "[ . 1 ]"
1 196 PHE 0.118 0.058 2 0 "[ . 1 ]"
1 197 PHE 0.765 0.164 8 0 "[ . 1 ]"
1 199 HIS 0.857 0.158 10 0 "[ . 1 ]"
1 200 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 201 SER 0.026 0.025 10 0 "[ . 1 ]"
1 202 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 203 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 204 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 205 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 206 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 210 SER 0.806 0.107 6 0 "[ . 1 ]"
1 211 ILE 3.149 0.269 11 0 "[ . 1 ]"
1 212 THR 1.568 0.244 9 0 "[ . 1 ]"
1 213 LEU 3.624 0.308 11 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 47 TYR H 1 77 ILE MG 6.500 . 7.000 5.581 4.990 5.766 . 0 0 "[ . 1 ]" 3
2 1 47 TYR H 1 77 ILE QG 6.500 . 7.000 6.071 5.532 6.229 . 0 0 "[ . 1 ]" 3
3 1 45 LEU MD1 1 77 ILE H 5.500 . 6.000 4.885 4.457 5.011 . 0 0 "[ . 1 ]" 3
4 1 45 LEU MD2 1 77 ILE H 6.500 . 7.000 3.503 3.280 3.960 . 0 0 "[ . 1 ]" 3
5 1 45 LEU MD2 1 74 PHE H 6.500 . 7.000 3.905 3.597 4.324 . 0 0 "[ . 1 ]" 3
6 1 74 PHE H 1 95 VAL MG2 6.500 . 7.000 5.590 4.925 5.761 . 0 0 "[ . 1 ]" 3
7 1 74 PHE H 1 95 VAL MG1 6.500 . 7.000 5.686 5.497 5.755 . 0 0 "[ . 1 ]" 3
8 1 77 ILE H 1 95 VAL MG2 7.500 . 8.000 6.568 6.286 6.705 . 0 0 "[ . 1 ]" 3
9 1 45 LEU MD2 1 46 TRP H 6.300 . 6.800 4.964 4.660 5.199 . 0 0 "[ . 1 ]" 3
10 1 45 LEU MD2 1 66 THR H 4.000 . 4.500 2.626 1.844 3.094 . 0 0 "[ . 1 ]" 3
11 1 45 LEU MD2 1 67 SER H 6.300 . 6.800 4.934 4.366 5.377 . 0 0 "[ . 1 ]" 3
12 1 45 LEU MD2 1 68 PHE H 6.300 . 6.800 5.722 5.640 5.804 . 0 0 "[ . 1 ]" 3
13 1 46 TRP H 1 62 LEU MD2 6.300 . 6.800 5.145 4.551 5.595 . 0 0 "[ . 1 ]" 3
14 1 47 TYR H 1 62 LEU MD2 5.900 . 6.400 3.312 3.015 5.234 . 0 0 "[ . 1 ]" 3
15 1 56 GLU H 1 61 LEU MD2 . . 6.000 3.729 3.108 4.411 . 0 0 "[ . 1 ]" 3
16 1 57 SER H 1 61 LEU MD2 6.100 . 6.600 2.424 1.845 2.828 . 0 0 "[ . 1 ]" 3
17 1 58 TRP H 1 61 LEU MD2 6.300 . 6.800 4.943 4.261 5.496 . 0 0 "[ . 1 ]" 3
18 1 58 TRP HE1 1 62 LEU MD2 6.000 . 6.500 4.577 2.572 5.199 . 0 0 "[ . 1 ]" 3
19 1 59 SER H 1 61 LEU MD2 6.300 . 6.800 5.250 4.463 5.628 . 0 0 "[ . 1 ]" 3
20 1 60 ASP H 1 61 LEU MD2 4.600 . 5.100 3.721 3.049 4.216 . 0 0 "[ . 1 ]" 3
21 1 61 LEU H 1 62 LEU MD2 6.300 . 6.800 5.770 5.733 5.809 . 0 0 "[ . 1 ]" 3
22 1 83 GLU H 1 87 LEU MD2 6.300 . 6.800 4.094 2.832 5.805 . 0 0 "[ . 1 ]" 3
23 1 87 LEU MD2 1 89 LEU H 6.300 . 6.800 3.468 1.833 4.621 . 0 0 "[ . 1 ]" 3
24 1 87 LEU MD2 1 91 SER H 6.300 . 6.800 4.008 3.499 4.824 . 0 0 "[ . 1 ]" 3
25 1 89 LEU MD2 1 90 LYS H 6.300 . 6.800 3.855 2.772 4.447 . 0 0 "[ . 1 ]" 3
26 1 89 LEU MD2 1 91 SER H 6.300 . 6.800 5.246 3.510 5.752 . 0 0 "[ . 1 ]" 3
27 1 113 GLY H 1 175 LEU MD2 6.300 . 6.800 5.083 4.146 5.601 . 0 0 "[ . 1 ]" 3
28 1 115 TRP H 1 165 LEU MD2 6.300 . 6.800 4.322 3.801 4.677 . 0 0 "[ . 1 ]" 3
29 1 115 TRP HE1 1 165 LEU MD2 6.300 . 6.800 4.581 3.629 5.349 . 0 0 "[ . 1 ]" 3
30 1 115 TRP HE1 1 176 LEU MD2 6.300 . 6.800 5.398 5.294 5.496 . 0 0 "[ . 1 ]" 3
31 1 128 GLU H 1 129 LEU QD 4.600 . 5.100 3.243 2.838 3.748 . 0 0 "[ . 1 ]" 3
32 1 131 LEU H 1 131 LEU MD2 4.700 . 5.200 4.183 4.066 4.389 . 0 0 "[ . 1 ]" 3
33 1 131 LEU MD2 1 132 CYS H 5.000 2.500 5.500 4.134 3.401 4.507 . 0 0 "[ . 1 ]" 3
34 1 154 LEU MD2 1 164 ALA H 6.300 . 6.800 5.654 5.633 5.674 . 0 0 "[ . 1 ]" 3
35 1 163 PHE H 1 186 LEU MD2 6.700 2.200 7.200 5.055 4.140 5.440 . 0 0 "[ . 1 ]" 3
36 1 165 LEU MD2 1 166 TRP H 6.300 . 6.800 4.878 4.587 5.055 . 0 0 "[ . 1 ]" 3
37 1 167 THR H 1 175 LEU MD2 6.300 . 6.800 4.294 4.035 4.558 . 0 0 "[ . 1 ]" 3
38 1 168 LYS H 1 175 LEU MD2 6.300 . 6.800 5.111 4.430 5.589 . 0 0 "[ . 1 ]" 3
39 1 170 GLU H 1 175 LEU MD2 6.300 . 6.800 5.234 4.651 5.482 . 0 0 "[ . 1 ]" 3
40 1 171 ASP H 1 175 LEU MD2 6.300 . 6.800 4.878 4.219 5.143 . 0 0 "[ . 1 ]" 3
41 1 172 LYS H 1 175 LEU MD2 6.300 . 6.800 4.597 2.562 5.506 . 0 0 "[ . 1 ]" 3
42 1 173 GLU H 1 175 LEU MD2 6.300 . 6.800 5.324 4.623 5.749 . 0 0 "[ . 1 ]" 3
43 1 175 LEU H 1 176 LEU MD2 6.300 . 6.800 4.694 3.862 5.043 . 0 0 "[ . 1 ]" 3
44 1 175 LEU MD2 1 176 LEU H 6.300 . 6.800 4.339 4.000 4.597 . 0 0 "[ . 1 ]" 3
45 1 175 LEU MD2 1 177 ARG H 6.300 . 6.800 5.377 5.012 5.908 . 0 0 "[ . 1 ]" 3
46 1 175 LEU MD2 1 179 GLY H 7.300 . 7.800 5.152 4.427 5.886 . 0 0 "[ . 1 ]" 3
47 1 176 LEU H 1 176 LEU MD2 4.000 2.100 4.500 3.181 2.501 3.491 . 0 0 "[ . 1 ]" 3
48 1 176 LEU MD2 1 177 ARG H 5.200 . 5.700 4.480 3.873 4.708 . 0 0 "[ . 1 ]" 3
49 1 183 LYS H 1 186 LEU MD2 6.300 . 6.800 5.018 4.704 5.563 . 0 0 "[ . 1 ]" 3
50 1 184 GLN H 1 186 LEU MD2 6.300 . 6.800 5.479 5.126 5.726 . 0 0 "[ . 1 ]" 3
51 1 185 VAL H 1 186 LEU MD2 6.300 . 6.800 4.302 3.809 4.936 . 0 0 "[ . 1 ]" 3
52 1 186 LEU MD2 1 187 LYS H 6.300 . 6.800 4.397 4.128 4.730 . 0 0 "[ . 1 ]" 3
53 1 188 LEU H 1 188 LEU MD2 4.300 . 4.800 2.652 2.418 3.088 . 0 0 "[ . 1 ]" 3
54 1 188 LEU MD2 1 189 THR H 6.300 . 6.800 3.838 3.516 4.339 . 0 0 "[ . 1 ]" 3
55 1 188 LEU MD2 1 191 ASP H 6.300 . 6.800 4.677 4.238 5.727 . 0 0 "[ . 1 ]" 3
56 1 188 LEU MD2 1 193 HIS H 6.300 . 6.800 4.201 3.078 5.332 . 0 0 "[ . 1 ]" 3
57 1 188 LEU MD2 1 194 LEU H 6.300 . 6.800 4.890 3.360 5.545 . 0 0 "[ . 1 ]" 3
58 1 40 ASN H 1 41 THR MG 4.600 . 5.100 3.568 3.181 3.891 . 0 0 "[ . 1 ]" 3
59 1 40 ASN H 1 69 GLN QB 5.600 . 6.100 3.764 3.102 5.123 . 0 0 "[ . 1 ]" 3
60 1 40 ASN H 1 138 ILE MD 7.000 . 7.500 6.253 6.183 6.310 . 0 0 "[ . 1 ]" 3
61 1 40 ASN QD 1 41 THR MG 5.600 . 6.100 3.965 3.141 4.402 . 0 0 "[ . 1 ]" 3
62 1 41 THR HA 1 69 GLN QE 5.000 . 5.500 4.685 4.049 4.963 . 0 0 "[ . 1 ]" 3
63 1 41 THR HB 1 43 TRP HE1 5.300 . 5.800 4.764 4.334 5.566 . 0 0 "[ . 1 ]" 3
64 1 41 THR MG 1 43 TRP H 6.300 . 6.800 4.059 3.619 4.444 . 0 0 "[ . 1 ]" 3
65 1 41 THR MG 1 69 GLN H 6.300 . 6.800 5.313 4.595 5.565 . 0 0 "[ . 1 ]" 3
66 1 41 THR MG 1 70 THR H 6.000 . 6.500 5.179 4.817 5.366 . 0 0 "[ . 1 ]" 3
67 1 42 LYS H 1 42 LYS QG 3.300 . 3.800 2.221 1.855 2.654 . 0 0 "[ . 1 ]" 3
68 1 42 LYS HA 1 68 PHE H 5.600 . 6.100 5.532 5.099 6.144 0.044 10 0 "[ . 1 ]" 3
69 1 42 LYS QG 1 69 GLN QE 7.300 . 7.800 4.048 2.771 5.501 . 0 0 "[ . 1 ]" 3
70 1 42 LYS QG 1 98 ASN H 5.600 . 6.100 4.343 2.692 5.515 . 0 0 "[ . 1 ]" 3
71 1 42 LYS QG 1 98 ASN QD 6.600 . 7.100 5.029 3.924 5.720 . 0 0 "[ . 1 ]" 3
72 1 43 TRP H 1 44 THR MG 4.800 . 5.300 4.171 4.111 4.336 . 0 0 "[ . 1 ]" 3
73 1 43 TRP H 1 67 SER QB 6.300 . 6.800 4.344 4.135 4.529 . 0 0 "[ . 1 ]" 3
74 1 43 TRP H 1 138 ILE MD 7.000 . 7.500 5.830 5.269 6.183 . 0 0 "[ . 1 ]" 3
75 1 43 TRP HE1 1 138 ILE MD 6.300 . 6.800 3.030 1.945 3.995 . 0 0 "[ . 1 ]" 3
76 1 44 THR H 1 45 LEU QD 7.700 . 8.200 5.983 5.828 6.207 . 0 0 "[ . 1 ]" 3
77 1 44 THR H 1 96 PHE HA 4.500 . 5.000 4.473 3.931 4.803 . 0 0 "[ . 1 ]" 3
78 1 44 THR H 1 97 ARG QB 5.500 . 6.000 3.653 2.462 5.451 . 0 0 "[ . 1 ]" 3
79 1 44 THR HA 1 66 THR H 5.500 . 6.000 6.037 5.897 6.140 0.140 5 0 "[ . 1 ]" 3
80 1 44 THR HA 1 68 PHE H 5.500 . 6.000 4.000 3.728 4.203 . 0 0 "[ . 1 ]" 3
81 1 45 LEU H 1 65 VAL QG 6.200 . 6.700 3.970 3.472 4.319 . 0 0 "[ . 1 ]" 3
82 1 45 LEU H 1 66 THR HA 5.500 . 6.000 3.857 2.337 4.773 . 0 0 "[ . 1 ]" 3
83 1 45 LEU H 1 66 THR MG 5.500 . 6.000 4.074 3.553 4.338 . 0 0 "[ . 1 ]" 3
84 1 45 LEU H 1 67 SER QB 5.800 . 6.300 3.415 2.415 4.250 . 0 0 "[ . 1 ]" 3
85 1 45 LEU HA 1 96 PHE H 4.300 . 4.800 4.092 3.856 4.411 . 0 0 "[ . 1 ]" 3
86 1 45 LEU QB 1 46 TRP H 6.300 . 6.800 3.839 3.599 4.012 . 0 0 "[ . 1 ]" 3
87 1 45 LEU QB 1 66 THR H 3.500 . 4.000 3.368 3.295 3.450 . 0 0 "[ . 1 ]" 3
88 1 45 LEU QB 1 68 PHE H 5.000 2.800 5.500 4.894 4.623 4.999 . 0 0 "[ . 1 ]" 3
89 1 45 LEU HG 1 65 VAL H 3.500 . 4.000 3.503 3.387 3.605 . 0 0 "[ . 1 ]" 3
90 1 45 LEU HG 1 66 THR H 3.700 2.200 4.200 3.740 3.369 4.053 . 0 0 "[ . 1 ]" 3
91 1 45 LEU QD 1 46 TRP H 7.700 . 8.200 2.896 2.398 3.346 . 0 0 "[ . 1 ]" 3
92 1 45 LEU QD 1 46 TRP HE1 7.700 . 8.200 5.851 5.682 5.963 . 0 0 "[ . 1 ]" 3
93 1 45 LEU QD 1 96 PHE H 7.700 . 8.200 5.421 5.232 5.664 . 0 0 "[ . 1 ]" 3
94 1 46 TRP H 1 95 VAL QG 6.000 . 6.500 3.103 2.270 3.561 . 0 0 "[ . 1 ]" 3
95 1 46 TRP H 1 95 VAL MG2 6.300 . 6.800 3.140 2.276 3.641 . 0 0 "[ . 1 ]" 3
96 1 46 TRP QB 1 65 VAL H 4.500 . 5.000 3.540 3.029 4.422 . 0 0 "[ . 1 ]" 3
97 1 46 TRP HE1 1 95 VAL MG2 6.700 2.200 7.200 5.713 5.170 5.937 . 0 0 "[ . 1 ]" 3
98 1 47 TYR H 1 47 TYR QD 4.300 . 4.800 2.691 1.850 3.213 . 0 0 "[ . 1 ]" 3
99 1 47 TYR H 1 62 LEU HA 5.300 . 5.800 4.502 4.291 4.701 . 0 0 "[ . 1 ]" 3
100 1 47 TYR H 1 62 LEU MD1 6.800 . 7.300 5.342 4.911 6.165 . 0 0 "[ . 1 ]" 3
101 1 47 TYR H 1 64 PRO HA 3.700 2.200 4.200 3.818 3.391 4.284 0.084 3 0 "[ . 1 ]" 3
102 1 47 TYR H 1 93 TYR HA 5.300 . 5.800 4.812 4.545 5.114 . 0 0 "[ . 1 ]" 3
103 1 47 TYR QB 1 63 ARG H 6.300 . 6.800 4.654 4.493 4.801 . 0 0 "[ . 1 ]" 3
104 1 47 TYR QD 1 48 THR H 5.500 . 6.000 4.027 3.439 4.773 . 0 0 "[ . 1 ]" 3
105 1 48 THR H 1 48 THR MG 4.700 2.200 5.200 3.673 2.306 3.947 . 0 0 "[ . 1 ]" 3
106 1 48 THR H 1 62 LEU QD 7.700 . 8.200 3.430 2.592 5.463 . 0 0 "[ . 1 ]" 3
107 1 48 THR H 1 93 TYR HA 5.300 . 5.800 3.327 2.699 3.595 . 0 0 "[ . 1 ]" 3
108 1 48 THR HA 1 62 LEU H 3.400 . 3.900 4.019 3.956 4.115 0.215 3 0 "[ . 1 ]" 3
109 1 48 THR HA 1 63 ARG H 5.300 . 5.800 3.260 2.378 4.075 . 0 0 "[ . 1 ]" 3
110 1 48 THR MG 1 58 TRP HE1 6.000 . 6.500 5.050 4.527 5.352 . 0 0 "[ . 1 ]" 3
111 1 48 THR MG 1 63 ARG H 4.300 . 4.800 3.768 3.684 3.912 . 0 0 "[ . 1 ]" 3
112 1 51 ALA H 1 52 VAL HB 4.600 . 5.100 4.474 3.776 5.099 . 0 0 "[ . 1 ]" 3
113 1 51 ALA H 1 52 VAL QG 7.700 . 8.200 3.758 3.056 4.608 . 0 0 "[ . 1 ]" 3
114 1 52 VAL H 1 53 ASP QB 5.700 . 6.200 4.619 4.228 5.079 . 0 0 "[ . 1 ]" 3
115 1 52 VAL HA 1 53 ASP H 3.300 . 3.800 3.313 3.058 3.533 . 0 0 "[ . 1 ]" 3
116 1 52 VAL HB 1 54 LYS H 5.300 . 5.800 4.394 2.453 5.456 . 0 0 "[ . 1 ]" 3
117 1 53 ASP H 1 56 GLU QB 4.900 2.200 5.400 4.013 3.354 4.869 . 0 0 "[ . 1 ]" 3
118 1 53 ASP H 1 61 LEU MD1 . . 6.000 3.254 1.695 4.808 0.105 3 0 "[ . 1 ]" 3
119 1 53 ASP QB 1 56 GLU H 5.000 . 5.500 4.285 3.151 5.173 . 0 0 "[ . 1 ]" 3
120 1 54 LYS H 1 55 SER QB . . 5.700 4.923 4.578 5.097 . 0 0 "[ . 1 ]" 3
121 1 54 LYS QB 1 56 GLU H 3.700 2.200 4.200 3.807 3.387 3.983 . 0 0 "[ . 1 ]" 3
122 1 56 GLU H 1 61 LEU MD1 . . 6.000 4.875 4.652 4.985 . 0 0 "[ . 1 ]" 3
123 1 56 GLU QB 1 57 SER H 4.100 . 4.600 2.629 1.786 4.052 0.014 3 0 "[ . 1 ]" 3
124 1 57 SER H 1 59 SER QB 6.300 . 6.800 6.071 5.959 6.188 . 0 0 "[ . 1 ]" 3
125 1 57 SER H 1 60 ASP QB 3.300 . 3.800 2.670 2.375 2.936 . 0 0 "[ . 1 ]" 3
126 1 57 SER H 1 61 LEU QB 6.300 . 6.800 5.025 4.710 5.269 . 0 0 "[ . 1 ]" 3
127 1 57 SER HA 1 59 SER H 3.700 2.200 4.200 3.691 3.578 3.795 . 0 0 "[ . 1 ]" 3
128 1 57 SER HA 1 60 ASP H 3.300 . 3.800 4.019 3.998 4.041 0.241 3 0 "[ . 1 ]" 3
129 1 57 SER QB 1 60 ASP H 3.300 . 3.800 2.362 2.161 3.229 . 0 0 "[ . 1 ]" 3
130 1 58 TRP H 1 59 SER QB 4.600 . 5.100 4.426 4.333 4.510 . 0 0 "[ . 1 ]" 3
131 1 58 TRP H 1 61 LEU QB 6.300 . 6.800 5.793 5.546 5.995 . 0 0 "[ . 1 ]" 3
132 1 58 TRP QB 1 60 ASP H 5.800 . 6.300 4.633 4.455 4.770 . 0 0 "[ . 1 ]" 3
133 1 58 TRP QB 1 61 LEU H 6.300 . 6.800 5.141 4.956 5.259 . 0 0 "[ . 1 ]" 3
134 1 58 TRP HE1 1 62 LEU MD1 5.000 . 5.500 2.438 1.946 3.218 . 0 0 "[ . 1 ]" 3
135 1 58 TRP HE1 1 105 GLU QB 4.500 . 5.000 4.482 4.316 4.587 . 0 0 "[ . 1 ]" 3
136 1 59 SER HA 1 60 ASP H 3.300 . 3.800 3.393 3.359 3.439 . 0 0 "[ . 1 ]" 3
137 1 59 SER HA 1 61 LEU H 4.800 . 5.300 3.965 3.821 4.364 . 0 0 "[ . 1 ]" 3
138 1 59 SER HA 1 62 LEU H 3.900 . 4.400 4.123 3.901 4.315 . 0 0 "[ . 1 ]" 3
139 1 59 SER QB 1 61 LEU H 4.900 . 5.400 4.761 4.637 4.909 . 0 0 "[ . 1 ]" 3
140 1 59 SER QB 1 62 LEU H 6.300 . 6.800 5.754 5.613 5.871 . 0 0 "[ . 1 ]" 3
141 1 60 ASP H 1 61 LEU QB 4.600 . 5.100 4.628 4.506 4.742 . 0 0 "[ . 1 ]" 3
142 1 60 ASP H 1 61 LEU HG 4.600 . 5.100 3.145 3.098 3.188 . 0 0 "[ . 1 ]" 3
143 1 60 ASP H 1 61 LEU MD1 5.000 2.200 5.500 4.424 4.254 4.597 . 0 0 "[ . 1 ]" 3
144 1 60 ASP HA 1 61 LEU H 3.300 . 3.800 3.420 3.366 3.472 . 0 0 "[ . 1 ]" 3
145 1 60 ASP QB 1 62 LEU H 5.500 . 6.000 5.300 5.181 5.420 . 0 0 "[ . 1 ]" 3
146 1 61 LEU H 1 62 LEU MD1 6.300 . 6.800 5.252 3.362 5.671 . 0 0 "[ . 1 ]" 3
147 1 61 LEU MD1 1 62 LEU H 4.000 . 4.500 3.654 3.500 3.753 . 0 0 "[ . 1 ]" 3
148 1 62 LEU MD1 1 63 ARG H 5.200 . 5.700 4.582 3.775 4.749 . 0 0 "[ . 1 ]" 3
149 1 66 THR H 1 66 THR MG 4.000 . 4.500 3.772 3.688 3.816 . 0 0 "[ . 1 ]" 3
150 1 68 PHE H 1 68 PHE QD 4.300 . 4.800 3.276 2.655 4.359 . 0 0 "[ . 1 ]" 3
151 1 68 PHE H 1 70 THR MG 6.300 . 6.800 4.317 3.200 5.604 . 0 0 "[ . 1 ]" 3
152 1 68 PHE H 1 138 ILE MD 6.400 . 6.900 5.554 5.084 5.812 . 0 0 "[ . 1 ]" 3
153 1 68 PHE HA 1 70 THR H 4.300 . 4.800 4.434 4.169 4.814 0.014 8 0 "[ . 1 ]" 3
154 1 68 PHE QD 1 69 GLN H 4.500 . 5.000 3.400 1.883 4.048 . 0 0 "[ . 1 ]" 3
155 1 68 PHE QD 1 70 THR H 5.500 . 6.000 4.901 4.065 5.523 . 0 0 "[ . 1 ]" 3
156 1 68 PHE QD 1 74 PHE H 6.500 . 7.000 5.670 5.323 6.330 . 0 0 "[ . 1 ]" 3
157 1 69 GLN H 1 70 THR MG 6.300 . 6.800 3.202 2.889 3.456 . 0 0 "[ . 1 ]" 3
158 1 69 GLN HA 1 70 THR H 3.300 . 3.800 2.800 2.529 3.393 . 0 0 "[ . 1 ]" 3
159 1 69 GLN QG 1 70 THR H 6.300 . 6.800 3.929 2.572 4.532 . 0 0 "[ . 1 ]" 3
160 1 69 GLN QE 1 70 THR MG 7.300 . 7.800 5.066 4.576 5.433 . 0 0 "[ . 1 ]" 3
161 1 70 THR H 1 71 VAL MG1 5.600 . 6.100 4.854 4.396 5.061 . 0 0 "[ . 1 ]" 3
162 1 70 THR H 1 138 ILE MD 6.300 . 6.800 4.771 3.985 5.751 . 0 0 "[ . 1 ]" 3
163 1 70 THR HA 1 72 GLU H 4.700 . 5.200 4.618 3.794 4.797 . 0 0 "[ . 1 ]" 3
164 1 70 THR MG 1 71 VAL H 4.300 2.300 4.800 2.631 1.897 4.101 0.403 10 0 "[ . 1 ]" 3
165 1 70 THR MG 1 72 GLU H 6.300 . 6.800 3.553 2.974 4.610 . 0 0 "[ . 1 ]" 3
166 1 71 VAL H 1 71 VAL MG1 3.300 . 3.800 2.866 2.613 3.027 . 0 0 "[ . 1 ]" 3
167 1 71 VAL H 1 72 GLU QB 6.300 . 6.800 3.839 3.405 4.706 . 0 0 "[ . 1 ]" 3
168 1 71 VAL HA 1 72 GLU H 5.300 . 5.800 3.488 3.375 3.537 . 0 0 "[ . 1 ]" 3
169 1 71 VAL HA 1 74 PHE H 3.300 . 3.800 3.640 3.165 3.881 0.081 5 0 "[ . 1 ]" 3
170 1 71 VAL QG 1 73 GLU H 7.700 . 8.200 4.131 3.898 4.619 . 0 0 "[ . 1 ]" 3
171 1 72 GLU H 1 72 GLU QG . . 4.800 3.160 1.763 3.978 0.037 8 0 "[ . 1 ]" 3
172 1 72 GLU QB 1 74 PHE H 6.300 . 6.800 5.184 4.885 5.661 . 0 0 "[ . 1 ]" 3
173 1 72 GLU QG 1 73 GLU H 3.800 . 4.300 3.323 2.148 4.026 . 0 0 "[ . 1 ]" 3
174 1 73 GLU HA 1 74 PHE H 3.300 . 3.800 3.566 3.550 3.578 . 0 0 "[ . 1 ]" 3
175 1 74 PHE H 1 74 PHE QE 6.000 . 6.500 5.738 4.717 6.193 . 0 0 "[ . 1 ]" 3
176 1 74 PHE H 1 138 ILE MD 6.600 . 7.100 5.643 5.300 5.985 . 0 0 "[ . 1 ]" 3
177 1 74 PHE HA 1 77 ILE H 3.300 . 3.800 3.491 3.331 3.781 . 0 0 "[ . 1 ]" 3
178 1 74 PHE HA 1 78 ILE H 4.300 . 4.800 4.282 3.484 4.684 . 0 0 "[ . 1 ]" 3
179 1 74 PHE QD 1 75 TRP H 5.200 . 5.700 3.303 2.464 4.216 . 0 0 "[ . 1 ]" 3
180 1 78 ILE HA 1 79 GLN H 3.300 . 3.800 3.487 3.439 3.569 . 0 0 "[ . 1 ]" 3
181 1 78 ILE HB 1 79 GLN QE 4.600 . 5.100 4.261 2.860 4.640 . 0 0 "[ . 1 ]" 3
182 1 78 ILE MG 1 80 ASN H 6.000 . 6.500 4.640 4.454 4.990 . 0 0 "[ . 1 ]" 3
183 1 78 ILE MD 1 79 GLN H 5.500 . 6.000 4.551 3.986 4.953 . 0 0 "[ . 1 ]" 3
184 1 79 GLN HA 1 80 ASN H 3.300 . 3.800 3.428 3.385 3.536 . 0 0 "[ . 1 ]" 3
185 1 79 GLN HA 1 80 ASN QD 4.800 . 5.300 4.621 4.460 4.787 . 0 0 "[ . 1 ]" 3
186 1 79 GLN HA 1 81 ILE H 3.400 . 3.900 3.501 3.262 3.986 0.086 7 0 "[ . 1 ]" 3
187 1 79 GLN QB 1 80 ASN H 3.300 . 3.800 3.007 2.719 3.362 . 0 0 "[ . 1 ]" 3
188 1 80 ASN QB 1 81 ILE H 4.600 . 5.100 3.029 2.595 3.503 . 0 0 "[ . 1 ]" 3
189 1 82 PRO HA 1 85 HIS H 5.000 2.200 5.500 5.542 4.600 5.733 0.233 2 0 "[ . 1 ]" 3
190 1 83 GLU H 1 84 PRO QD 6.300 . 6.800 2.589 1.840 4.327 . 0 0 "[ . 1 ]" 3
191 1 83 GLU H 1 87 LEU QB 4.600 . 5.100 4.205 3.337 4.358 . 0 0 "[ . 1 ]" 3
192 1 83 GLU H 1 87 LEU MD1 6.300 . 6.800 4.809 3.970 5.765 . 0 0 "[ . 1 ]" 3
193 1 83 GLU HA 1 85 HIS H 4.000 . 4.500 3.871 3.600 4.593 0.093 3 0 "[ . 1 ]" 3
194 1 83 GLU HA 1 86 GLU H 5.000 . 5.500 4.100 3.047 4.942 . 0 0 "[ . 1 ]" 3
195 1 83 GLU QB 1 86 GLU H 6.300 . 6.800 4.444 3.030 5.119 . 0 0 "[ . 1 ]" 3
196 1 83 GLU QB 1 87 LEU H 6.300 . 6.800 5.229 3.694 6.090 . 0 0 "[ . 1 ]" 3
197 1 84 PRO HA 1 85 HIS H 5.300 . 5.800 2.860 2.518 3.527 . 0 0 "[ . 1 ]" 3
198 1 85 HIS H 1 87 LEU MD1 6.300 . 6.800 4.902 3.103 5.581 . 0 0 "[ . 1 ]" 3
199 1 85 HIS H 1 126 ILE MG 8.000 . 8.500 7.070 6.974 7.114 . 0 0 "[ . 1 ]" 3
200 1 85 HIS H 1 126 ILE MD 6.000 . 6.500 5.105 4.593 5.319 . 0 0 "[ . 1 ]" 3
201 1 85 HIS HA 1 87 LEU H 3.300 . 3.800 3.595 3.352 3.923 0.123 8 0 "[ . 1 ]" 3
202 1 85 HIS QB 1 86 GLU H . . 5.900 3.865 3.768 3.960 . 0 0 "[ . 1 ]" 3
203 1 86 GLU H 1 87 LEU QB 4.600 . 5.100 3.920 3.299 4.411 . 0 0 "[ . 1 ]" 3
204 1 86 GLU H 1 87 LEU MD1 5.700 . 6.200 4.351 2.179 5.123 . 0 0 "[ . 1 ]" 3
205 1 86 GLU H 1 88 PRO QD 6.300 . 6.800 5.941 5.561 6.116 . 0 0 "[ . 1 ]" 3
206 1 86 GLU QB 1 87 LEU H 3.300 . 3.800 3.286 2.997 3.589 . 0 0 "[ . 1 ]" 3
207 1 87 LEU H 1 88 PRO QD 4.600 . 5.100 4.330 4.157 4.386 . 0 0 "[ . 1 ]" 3
208 1 87 LEU H 1 156 ILE MG 6.000 . 6.500 4.810 4.368 5.138 . 0 0 "[ . 1 ]" 3
209 1 87 LEU H 1 156 ILE QG 6.000 . 6.500 5.759 5.415 5.897 . 0 0 "[ . 1 ]" 3
210 1 87 LEU H 1 156 ILE MD 6.000 . 6.500 3.891 3.667 4.224 . 0 0 "[ . 1 ]" 3
211 1 87 LEU MD1 1 91 SER H 6.300 . 6.800 3.606 2.754 5.577 . 0 0 "[ . 1 ]" 3
212 1 89 LEU QB 1 90 LYS H 3.300 . 3.800 1.906 1.751 2.055 0.049 8 0 "[ . 1 ]" 3
213 1 89 LEU MD1 1 160 GLY H 6.300 . 6.800 4.987 3.294 5.644 . 0 0 "[ . 1 ]" 3
214 1 90 LYS H 1 156 ILE QG 6.300 . 6.800 5.084 4.695 5.585 . 0 0 "[ . 1 ]" 3
215 1 90 LYS H 1 156 ILE MD 6.300 . 6.800 4.899 4.597 5.192 . 0 0 "[ . 1 ]" 3
216 1 90 LYS HA 1 157 ARG H 3.800 . 4.300 4.419 3.924 4.557 0.257 6 0 "[ . 1 ]" 3
217 1 90 LYS HA 1 157 ARG HE 5.300 . 5.800 3.133 1.946 4.431 . 0 0 "[ . 1 ]" 3
218 1 90 LYS QG 1 91 SER H 4.000 . 4.500 4.178 4.142 4.226 . 0 0 "[ . 1 ]" 3
219 1 91 SER H 1 156 ILE MG 3.300 . 3.800 3.073 2.937 3.150 . 0 0 "[ . 1 ]" 3
220 1 91 SER H 1 156 ILE MD 6.300 . 6.800 4.318 4.031 4.682 . 0 0 "[ . 1 ]" 3
221 1 92 ASP H 1 154 LEU HG 6.000 2.200 6.500 6.451 6.292 6.559 0.059 5 0 "[ . 1 ]" 3
222 1 92 ASP H 1 154 LEU MD1 6.800 . 7.300 5.687 5.410 6.049 . 0 0 "[ . 1 ]" 3
223 1 92 ASP HA 1 154 LEU H 5.300 . 5.800 4.359 4.080 4.577 . 0 0 "[ . 1 ]" 3
224 1 92 ASP HA 1 156 ILE H 5.300 . 5.800 3.312 3.088 3.534 . 0 0 "[ . 1 ]" 3
225 1 93 TYR H 1 93 TYR QD 4.300 . 4.800 3.561 3.146 3.901 . 0 0 "[ . 1 ]" 3
226 1 93 TYR QB 1 94 HIS H 6.300 . 6.800 3.039 2.217 3.811 . 0 0 "[ . 1 ]" 3
227 1 93 TYR QB 1 154 LEU H 6.300 . 6.800 4.139 3.126 5.083 . 0 0 "[ . 1 ]" 3
228 1 93 TYR QD 1 154 LEU H 5.500 . 6.000 4.601 2.019 5.470 . 0 0 "[ . 1 ]" 3
229 1 94 HIS H 1 94 HIS HD2 5.000 . 5.500 2.690 1.862 3.647 . 0 0 "[ . 1 ]" 3
230 1 94 HIS HA 1 154 LEU H 3.600 . 4.100 3.481 3.223 3.810 . 0 0 "[ . 1 ]" 3
231 1 95 VAL H 1 95 VAL MG2 4.400 . 4.900 3.246 3.084 3.485 . 0 0 "[ . 1 ]" 3
232 1 95 VAL H 1 96 PHE QE 5.000 . 5.500 3.715 2.276 4.567 . 0 0 "[ . 1 ]" 3
233 1 95 VAL H 1 153 VAL HA 5.300 . 5.800 3.513 3.271 3.782 . 0 0 "[ . 1 ]" 3
234 1 95 VAL HB 1 96 PHE H 5.300 . 5.800 4.293 4.072 4.452 . 0 0 "[ . 1 ]" 3
235 1 95 VAL MG2 1 96 PHE H 5.000 . 5.500 3.905 3.665 4.142 . 0 0 "[ . 1 ]" 3
236 1 96 PHE H 1 96 PHE QE 4.300 . 4.800 4.217 3.779 4.675 . 0 0 "[ . 1 ]" 3
237 1 96 PHE QD 1 100 VAL H 6.500 . 7.000 5.769 4.768 6.377 . 0 0 "[ . 1 ]" 3
238 1 96 PHE H 1 138 ILE MD 7.300 . 7.800 6.498 6.401 6.619 . 0 0 "[ . 1 ]" 3
239 1 96 PHE HA 1 100 VAL H 6.000 . 6.500 6.567 6.367 6.667 0.167 9 0 "[ . 1 ]" 3
240 1 96 PHE QD 1 151 GLY H 5.500 . 6.000 4.478 3.621 5.293 . 0 0 "[ . 1 ]" 3
241 1 96 PHE QE 1 152 VAL H 5.500 . 6.000 4.188 3.627 4.655 . 0 0 "[ . 1 ]" 3
242 1 96 PHE QD 1 97 ARG H 5.500 . 6.000 3.833 2.401 4.595 . 0 0 "[ . 1 ]" 3
243 1 97 ARG H 1 150 ASN HA 4.300 . 4.800 4.797 4.189 4.950 0.150 5 0 "[ . 1 ]" 3
244 1 97 ARG QB 1 98 ASN QD 7.300 . 7.800 3.820 2.265 5.405 . 0 0 "[ . 1 ]" 3
245 1 98 ASN H 1 100 VAL MG1 6.700 2.200 7.200 5.264 4.224 5.965 . 0 0 "[ . 1 ]" 3
246 1 98 ASN QB 1 100 VAL H 5.300 . 5.800 4.615 2.700 5.219 . 0 0 "[ . 1 ]" 3
247 1 98 ASN QD 1 100 VAL MG1 7.200 . 7.700 5.379 4.983 5.626 . 0 0 "[ . 1 ]" 3
248 1 100 VAL H 1 110 ALA MB 5.500 . 6.000 3.997 3.302 5.141 . 0 0 "[ . 1 ]" 3
249 1 100 VAL MG1 1 103 GLU H 6.000 2.200 6.500 4.121 3.749 4.880 . 0 0 "[ . 1 ]" 3
250 1 100 VAL MG1 1 106 ASP H 6.700 2.200 7.200 5.454 5.302 5.809 . 0 0 "[ . 1 ]" 3
251 1 100 VAL MG1 1 107 GLU H 6.300 . 6.800 3.831 3.119 4.243 . 0 0 "[ . 1 ]" 3
252 1 100 VAL MG1 1 108 ALA H 5.300 . 5.800 4.470 4.153 4.771 . 0 0 "[ . 1 ]" 3
253 1 100 VAL MG1 1 109 ASN H 6.300 . 6.800 5.111 4.699 5.601 . 0 0 "[ . 1 ]" 3
254 1 100 VAL MG2 1 103 GLU H 5.800 . 6.300 3.974 3.511 5.149 . 0 0 "[ . 1 ]" 3
255 1 100 VAL MG2 1 106 ASP H 6.300 . 6.800 4.958 4.330 5.391 . 0 0 "[ . 1 ]" 3
256 1 100 VAL MG2 1 107 GLU H 6.300 . 6.800 3.570 2.963 4.067 . 0 0 "[ . 1 ]" 3
257 1 100 VAL MG2 1 109 ASN H 6.300 . 6.800 4.380 4.018 4.775 . 0 0 "[ . 1 ]" 3
258 1 100 VAL MG2 1 110 ALA H 6.300 . 6.800 3.234 2.491 3.592 . 0 0 "[ . 1 ]" 3
259 1 101 ARG H 1 106 ASP QB 6.300 . 6.700 4.387 2.663 5.034 . 0 0 "[ . 1 ]" 3
260 1 101 ARG H 1 109 ASN QB 6.400 . 6.900 6.135 5.973 6.434 . 0 0 "[ . 1 ]" 3
261 1 103 GLU H 1 109 ASN QB 6.600 . 7.100 5.925 5.352 6.192 . 0 0 "[ . 1 ]" 3
262 1 103 GLU H 1 110 ALA MB 6.300 . 6.800 5.646 5.568 5.775 . 0 0 "[ . 1 ]" 3
263 1 103 GLU HA 1 104 TRP H 3.300 . 3.800 2.721 2.417 3.453 . 0 0 "[ . 1 ]" 3
264 1 103 GLU HA 1 106 ASP H 5.300 . 5.800 4.327 3.790 4.633 . 0 0 "[ . 1 ]" 3
265 1 103 GLU QB 1 105 GLU H 4.300 . 4.800 2.542 2.075 3.440 . 0 0 "[ . 1 ]" 3
266 1 104 TRP HA 1 106 ASP H 5.300 . 5.800 3.656 3.315 4.088 . 0 0 "[ . 1 ]" 3
267 1 104 TRP H 1 105 GLU QB 4.400 . 4.900 4.362 4.195 4.485 . 0 0 "[ . 1 ]" 3
268 1 105 GLU H 1 106 ASP QB 4.600 . 5.100 4.296 4.109 4.456 . 0 0 "[ . 1 ]" 3
269 1 105 GLU HA 1 106 ASP H 3.300 . 3.800 3.361 3.154 3.469 . 0 0 "[ . 1 ]" 3
270 1 105 GLU QB 1 106 ASP H 5.800 . 6.300 3.224 2.899 3.520 . 0 0 "[ . 1 ]" 3
271 1 106 ASP H 1 107 GLU QB 4.600 . 5.100 3.681 3.532 4.123 . 0 0 "[ . 1 ]" 3
272 1 106 ASP H 1 108 ALA MB 6.300 . 6.800 3.988 3.208 4.761 . 0 0 "[ . 1 ]" 3
273 1 106 ASP HA 1 108 ALA H 3.300 . 3.800 3.905 3.824 4.159 0.359 6 0 "[ . 1 ]" 3
274 1 106 ASP HA 1 109 ASN H 5.300 . 5.800 2.931 2.775 3.035 . 0 0 "[ . 1 ]" 3
275 1 106 ASP QB 1 107 GLU H 5.000 . 5.500 2.811 2.275 3.303 . 0 0 "[ . 1 ]" 3
276 1 106 ASP QB 1 108 ALA H . . 5.900 4.538 4.150 4.894 . 0 0 "[ . 1 ]" 3
277 1 106 ASP QB 1 110 ALA H 6.300 . 6.800 4.894 4.467 5.201 . 0 0 "[ . 1 ]" 3
278 1 107 GLU H 1 109 ASN QB 6.300 . 6.800 4.597 4.214 4.897 . 0 0 "[ . 1 ]" 3
279 1 107 GLU HA 1 109 ASN H 4.600 . 5.100 4.088 3.763 4.639 . 0 0 "[ . 1 ]" 3
280 1 107 GLU QB 1 109 ASN H 5.900 . 6.400 4.528 4.154 4.889 . 0 0 "[ . 1 ]" 3
281 1 107 GLU QB 1 110 ALA H 5.300 . 5.800 4.518 4.255 4.823 . 0 0 "[ . 1 ]" 3
282 1 108 ALA H 1 109 ASN QB 6.300 . 6.800 4.301 4.015 4.595 . 0 0 "[ . 1 ]" 3
283 1 109 ASN HA 1 110 ALA H 5.300 . 5.800 3.438 3.390 3.481 . 0 0 "[ . 1 ]" 3
284 1 109 ASN HA 1 111 LYS H 5.300 . 5.800 5.012 3.513 5.672 . 0 0 "[ . 1 ]" 3
285 1 109 ASN HA 1 112 GLY H 4.500 . 5.000 4.448 3.914 5.019 0.019 5 0 "[ . 1 ]" 3
286 1 109 ASN QD 1 110 ALA MB 7.300 . 7.800 4.851 3.377 5.318 . 0 0 "[ . 1 ]" 3
287 1 110 ALA H 1 111 LYS QG 5.400 . 5.900 3.854 3.286 4.748 . 0 0 "[ . 1 ]" 3
288 1 110 ALA HA 1 111 LYS H 3.300 . 3.800 3.524 3.442 3.555 . 0 0 "[ . 1 ]" 3
289 1 110 ALA HA 1 112 GLY H 4.500 2.200 5.000 4.557 3.650 5.268 0.268 5 0 "[ . 1 ]" 3
290 1 110 ALA MB 1 112 GLY H 4.300 . 4.800 4.072 3.364 4.259 . 0 0 "[ . 1 ]" 3
291 1 111 LYS H 1 112 GLY QA 4.600 . 5.100 4.431 3.540 4.630 . 0 0 "[ . 1 ]" 3
292 1 111 LYS HA 1 112 GLY H 3.300 . 3.800 3.368 2.733 3.537 . 0 0 "[ . 1 ]" 3
293 1 111 LYS QB 1 112 GLY H 6.300 . 6.800 3.405 2.985 4.015 . 0 0 "[ . 1 ]" 3
294 1 111 LYS QG 1 112 GLY H 4.300 . 4.800 2.418 1.744 4.442 0.056 11 0 "[ . 1 ]" 3
295 1 112 GLY QA 1 167 THR H 6.300 . 6.800 5.073 2.960 5.658 . 0 0 "[ . 1 ]" 3
296 1 113 GLY H 1 167 THR HA 5.300 . 5.800 5.378 5.087 5.594 . 0 0 "[ . 1 ]" 3
297 1 113 GLY H 1 167 THR MG 6.300 . 6.800 5.298 5.093 5.458 . 0 0 "[ . 1 ]" 3
298 1 113 GLY H 1 169 CYS HA 5.300 . 5.800 4.446 4.158 5.063 . 0 0 "[ . 1 ]" 3
299 1 113 GLY QA 1 167 THR H 6.300 . 6.800 3.967 3.529 4.456 . 0 0 "[ . 1 ]" 3
300 1 113 GLY QA 1 199 HIS H 5.600 . 6.100 2.558 1.984 3.147 . 0 0 "[ . 1 ]" 3
301 1 113 GLY QA 1 200 CYS H 6.300 . 6.800 5.168 4.655 5.682 . 0 0 "[ . 1 ]" 3
302 1 114 LYS H 1 196 PHE HA 5.300 . 5.800 4.764 4.409 5.015 . 0 0 "[ . 1 ]" 3
303 1 114 LYS H 1 197 PHE QB 3.400 . 3.900 3.469 3.276 3.595 . 0 0 "[ . 1 ]" 3
304 1 114 LYS HA 1 167 THR H 3.700 . 4.200 4.024 3.517 4.341 0.141 5 0 "[ . 1 ]" 3
305 1 115 TRP H 1 165 LEU QB 3.800 . 4.300 3.601 3.419 3.661 . 0 0 "[ . 1 ]" 3
306 1 115 TRP HA 1 165 LEU H 5.300 . 5.800 4.355 4.002 4.753 . 0 0 "[ . 1 ]" 3
307 1 115 TRP HA 1 197 PHE H 5.300 . 5.800 3.601 3.418 3.765 . 0 0 "[ . 1 ]" 3
308 1 115 TRP QB 1 195 GLU H 6.300 . 6.800 4.660 3.998 4.982 . 0 0 "[ . 1 ]" 3
309 1 115 TRP HE1 1 175 LEU MD1 6.300 . 6.800 4.937 4.521 5.675 . 0 0 "[ . 1 ]" 3
310 1 115 TRP HE1 1 179 GLY QA 6.300 . 6.800 2.726 2.249 2.983 . 0 0 "[ . 1 ]" 3
311 1 116 SER H 1 194 LEU QB 6.700 2.200 7.200 5.647 5.167 6.354 . 0 0 "[ . 1 ]" 3
312 1 116 SER H 1 194 LEU QD 7.700 . 8.200 4.432 3.944 4.977 . 0 0 "[ . 1 ]" 3
313 1 116 SER H 1 195 GLU HA 5.300 . 5.800 4.544 4.199 4.812 . 0 0 "[ . 1 ]" 3
314 1 116 SER H 1 195 GLU QB 6.300 . 6.800 2.646 1.972 3.543 . 0 0 "[ . 1 ]" 3
315 1 116 SER H 1 196 PHE HA 5.300 . 5.800 3.724 3.126 3.997 . 0 0 "[ . 1 ]" 3
316 1 116 SER HA 1 165 LEU H 5.300 . 5.800 3.590 3.133 4.188 . 0 0 "[ . 1 ]" 3
317 1 116 SER QB 1 117 PHE H 5.500 . 6.000 3.265 2.718 3.783 . 0 0 "[ . 1 ]" 3
318 1 116 SER QB 1 197 PHE H 5.500 2.500 6.000 4.994 4.244 5.276 . 0 0 "[ . 1 ]" 3
319 1 117 PHE H 1 163 PHE QB 4.200 . 4.700 3.896 3.632 4.043 . 0 0 "[ . 1 ]" 3
320 1 117 PHE H 1 164 ALA HA 5.300 . 5.800 3.876 3.665 4.329 . 0 0 "[ . 1 ]" 3
321 1 117 PHE H 1 164 ALA MB 6.300 . 6.800 4.725 4.481 4.979 . 0 0 "[ . 1 ]" 3
322 1 117 PHE H 1 186 LEU MD1 6.700 2.200 7.200 4.770 4.273 5.330 . 0 0 "[ . 1 ]" 3
323 1 117 PHE H 1 194 LEU QD 7.700 . 8.200 4.753 4.219 5.284 . 0 0 "[ . 1 ]" 3
324 1 117 PHE HA 1 163 PHE H 5.800 2.300 6.300 4.809 4.513 5.026 . 0 0 "[ . 1 ]" 3
325 1 117 PHE HA 1 195 GLU H 3.300 . 3.800 3.541 3.203 3.700 . 0 0 "[ . 1 ]" 3
326 1 117 PHE QD 1 118 GLN H 5.600 . 6.100 4.878 4.662 4.993 . 0 0 "[ . 1 ]" 3
327 1 117 PHE QD 1 163 PHE H 5.400 . 5.900 2.738 2.086 3.802 . 0 0 "[ . 1 ]" 3
328 1 117 PHE QE 1 195 GLU H 5.500 . 6.000 4.941 4.466 5.478 . 0 0 "[ . 1 ]" 3
329 1 118 GLN H 1 118 GLN QB 3.300 . 3.800 2.303 2.129 2.663 . 0 0 "[ . 1 ]" 3
330 1 118 GLN H 1 118 GLN QG 4.800 . 5.300 3.727 2.188 4.022 . 0 0 "[ . 1 ]" 3
331 1 118 GLN HA 1 163 PHE H 5.300 . 5.800 4.356 4.165 4.546 . 0 0 "[ . 1 ]" 3
332 1 119 LEU H 1 162 LYS HA 4.400 . 4.900 3.465 3.092 4.104 . 0 0 "[ . 1 ]" 3
333 1 119 LEU HA 1 194 LEU H 6.700 2.200 7.200 7.212 7.127 7.305 0.105 9 0 "[ . 1 ]" 3
334 1 119 LEU QB 1 120 CYS H 3.300 . 3.800 3.248 2.717 3.463 . 0 0 "[ . 1 ]" 3
335 1 119 LEU QB 1 161 ASN H . . 3.800 3.306 2.877 3.490 . 0 0 "[ . 1 ]" 3
336 1 119 LEU QD 1 122 LYS H 7.700 . 8.200 3.971 2.349 5.163 . 0 0 "[ . 1 ]" 3
337 1 119 LEU QD 1 123 GLY H 7.700 . 8.200 4.847 3.517 5.510 . 0 0 "[ . 1 ]" 3
338 1 120 CYS QB 1 121 GLY H 6.300 . 6.800 2.927 1.880 3.958 . 0 0 "[ . 1 ]" 3
339 1 122 LYS HA 1 123 GLY H 5.300 . 5.800 3.004 2.156 3.570 . 0 0 "[ . 1 ]" 3
340 1 122 LYS QB 1 123 GLY H 6.300 . 6.800 2.317 1.870 3.884 . 0 0 "[ . 1 ]" 3
341 1 122 LYS QB 1 124 ALA H 5.500 . 6.000 3.952 2.895 4.587 . 0 0 "[ . 1 ]" 3
342 1 122 LYS QB 1 125 ASP H 6.300 . 6.800 5.203 4.435 6.120 . 0 0 "[ . 1 ]" 3
343 1 122 LYS QG 1 123 GLY H 6.300 . 6.800 3.471 1.889 4.539 . 0 0 "[ . 1 ]" 3
344 1 123 GLY QA 1 125 ASP H 6.300 . 6.500 4.310 3.285 4.987 . 0 0 "[ . 1 ]" 3
345 1 124 ALA H 1 126 ILE MG 6.300 . 6.800 4.957 3.053 5.759 . 0 0 "[ . 1 ]" 3
346 1 124 ALA H 1 126 ILE MD 6.300 . 6.800 2.529 1.830 3.807 . 0 0 "[ . 1 ]" 3
347 1 124 ALA HA 1 126 ILE H 4.800 . 5.300 5.112 4.819 5.283 . 0 0 "[ . 1 ]" 3
348 1 125 ASP H 1 126 ILE HB 4.600 . 5.100 4.718 4.326 5.071 . 0 0 "[ . 1 ]" 3
349 1 125 ASP H 1 126 ILE MG 6.300 . 6.800 4.281 2.534 5.045 . 0 0 "[ . 1 ]" 3
350 1 125 ASP QB 1 126 ILE H 4.500 . 5.000 3.849 3.688 3.986 . 0 0 "[ . 1 ]" 3
351 1 126 ILE HA 1 128 GLU H 3.300 . 3.800 3.651 3.472 3.816 0.016 3 0 "[ . 1 ]" 3
352 1 126 ILE MG 1 129 LEU H 6.300 . 6.800 4.441 3.831 5.299 . 0 0 "[ . 1 ]" 3
353 1 126 ILE QG 1 128 GLU H 6.300 . 6.800 4.974 4.185 5.380 . 0 0 "[ . 1 ]" 3
354 1 126 ILE QG 1 129 LEU H 6.300 . 6.800 5.332 4.638 5.670 . 0 0 "[ . 1 ]" 3
355 1 126 ILE QG 1 130 TRP H 6.300 . 6.800 5.648 4.180 6.165 . 0 0 "[ . 1 ]" 3
356 1 126 ILE MD 1 127 ASP H 6.300 . 6.800 2.994 1.812 3.765 . 0 0 "[ . 1 ]" 3
357 1 127 ASP HA 1 130 TRP H 5.300 . 5.800 3.582 3.307 3.990 . 0 0 "[ . 1 ]" 3
358 1 128 GLU H 1 129 LEU QB 4.600 . 5.100 4.441 4.302 4.616 . 0 0 "[ . 1 ]" 3
359 1 129 LEU HA 1 130 TRP H 3.300 . 3.800 3.555 3.538 3.584 . 0 0 "[ . 1 ]" 3
360 1 130 TRP H 1 131 LEU QB 4.600 . 5.100 4.177 3.939 4.308 . 0 0 "[ . 1 ]" 3
361 1 130 TRP H 1 134 LEU QD 7.700 . 8.200 5.346 5.106 5.531 . 0 0 "[ . 1 ]" 3
362 1 130 TRP HE1 1 131 LEU MD1 6.300 . 6.800 5.280 4.353 5.792 . 0 0 "[ . 1 ]" 3
363 1 130 TRP HE1 1 134 LEU QB 6.300 . 6.800 3.971 3.136 4.767 . 0 0 "[ . 1 ]" 3
364 1 130 TRP HE1 1 152 VAL MG1 6.300 . 6.800 5.309 4.869 5.608 . 0 0 "[ . 1 ]" 3
365 1 130 TRP HE1 1 154 LEU MD1 4.700 . 5.200 3.665 2.872 4.170 . 0 0 "[ . 1 ]" 3
366 1 131 LEU H 1 134 LEU QD 7.700 . 8.200 4.402 4.054 4.620 . 0 0 "[ . 1 ]" 3
367 1 131 LEU HA 1 132 CYS H 3.300 . 3.800 3.579 3.572 3.585 . 0 0 "[ . 1 ]" 3
368 1 131 LEU QB 1 134 LEU H 4.300 . 4.800 4.403 4.336 4.473 . 0 0 "[ . 1 ]" 3
369 1 132 CYS H 1 132 CYS QB 3.300 . 3.800 2.272 2.183 2.523 . 0 0 "[ . 1 ]" 3
370 1 132 CYS HA 1 133 THR H 3.300 . 3.800 3.460 3.428 3.484 . 0 0 "[ . 1 ]" 3
371 1 133 THR H 1 134 LEU QD 7.700 . 8.200 3.644 3.396 4.594 . 0 0 "[ . 1 ]" 3
372 1 134 LEU HA 1 135 LEU H 3.300 . 3.800 3.539 3.418 3.574 . 0 0 "[ . 1 ]" 3
373 1 134 LEU HA 1 136 ALA H 4.900 . 5.400 4.309 4.021 4.597 . 0 0 "[ . 1 ]" 3
374 1 134 LEU HA 1 137 VAL H 4.800 . 5.300 3.156 2.982 3.342 . 0 0 "[ . 1 ]" 3
375 1 134 LEU HG 1 135 LEU H 3.700 2.200 4.200 4.050 3.747 4.242 0.042 9 0 "[ . 1 ]" 3
376 1 134 LEU QD 1 135 LEU H 7.700 . 8.200 3.836 3.763 3.968 . 0 0 "[ . 1 ]" 3
377 1 134 LEU QD 1 136 ALA H 7.700 . 8.200 4.978 4.721 5.236 . 0 0 "[ . 1 ]" 3
378 1 135 LEU HA 1 136 ALA H 3.300 . 3.800 3.543 3.508 3.566 . 0 0 "[ . 1 ]" 3
379 1 136 ALA HA 1 137 VAL H 3.300 . 3.800 3.481 3.413 3.531 . 0 0 "[ . 1 ]" 3
380 1 136 ALA HA 1 138 ILE H 5.300 . 5.800 4.204 3.748 4.509 . 0 0 "[ . 1 ]" 3
381 1 137 VAL H 1 137 VAL MG1 3.300 . 3.800 3.085 1.822 3.241 . 0 0 "[ . 1 ]" 3
382 1 137 VAL H 1 137 VAL MG2 3.300 . 3.800 3.214 2.672 3.297 . 0 0 "[ . 1 ]" 3
383 1 137 VAL H 1 138 ILE MG 4.600 . 5.100 3.844 3.444 4.069 . 0 0 "[ . 1 ]" 3
384 1 137 VAL H 1 138 ILE MD 6.300 . 6.800 5.711 5.612 5.781 . 0 0 "[ . 1 ]" 3
385 1 137 VAL MG1 1 139 GLY H 6.300 . 6.800 4.530 4.140 5.187 . 0 0 "[ . 1 ]" 3
386 1 137 VAL MG1 1 150 ASN H 6.300 . 6.800 5.219 4.672 5.715 . 0 0 "[ . 1 ]" 3
387 1 137 VAL MG1 1 151 GLY H 6.300 . 6.800 4.819 4.158 5.504 . 0 0 "[ . 1 ]" 3
388 1 137 VAL MG1 1 152 VAL H 6.300 . 6.800 4.377 3.511 5.554 . 0 0 "[ . 1 ]" 3
389 1 138 ILE H 1 138 ILE HB 3.300 . 3.800 3.536 3.058 3.660 . 0 0 "[ . 1 ]" 3
390 1 138 ILE HA 1 139 GLY H 3.300 . 3.800 3.522 3.488 3.564 . 0 0 "[ . 1 ]" 3
391 1 138 ILE HB 1 139 GLY H 3.300 . 3.800 3.888 3.805 3.921 0.121 8 0 "[ . 1 ]" 3
392 1 138 ILE MG 1 140 GLU H 6.300 . 6.800 4.827 3.358 5.453 . 0 0 "[ . 1 ]" 3
393 1 138 ILE QG 1 139 GLY H 3.300 . 3.800 2.130 1.781 3.511 0.019 4 0 "[ . 1 ]" 3
394 1 138 ILE MD 1 139 GLY H 4.300 . 4.800 2.467 1.914 3.498 . 0 0 "[ . 1 ]" 3
395 1 138 ILE MD 1 140 GLU H 6.300 . 6.800 4.202 3.385 5.745 . 0 0 "[ . 1 ]" 3
396 1 139 GLY H 1 140 GLU QB 6.300 . 6.800 4.568 3.854 5.663 . 0 0 "[ . 1 ]" 3
397 1 139 GLY QA 1 140 GLU H 3.300 . 3.800 2.783 2.624 2.925 . 0 0 "[ . 1 ]" 3
398 1 139 GLY QA 1 141 THR H . . 4.800 3.938 3.618 4.212 . 0 0 "[ . 1 ]" 3
399 1 140 GLU H 1 141 THR MG 6.300 . 6.800 3.712 2.369 4.811 . 0 0 "[ . 1 ]" 3
400 1 140 GLU H 1 142 ILE MD 6.300 . 6.800 5.444 5.055 5.584 . 0 0 "[ . 1 ]" 3
401 1 140 GLU QB 1 141 THR H 6.300 . 6.800 3.918 3.810 4.014 . 0 0 "[ . 1 ]" 3
402 1 141 THR H 1 142 ILE MG 6.300 . 6.800 5.108 2.722 5.761 . 0 0 "[ . 1 ]" 3
403 1 141 THR H 1 142 ILE MD 6.300 . 6.800 3.781 3.348 4.460 . 0 0 "[ . 1 ]" 3
404 1 141 THR HA 1 142 ILE H 3.300 . 3.800 3.365 2.819 3.551 . 0 0 "[ . 1 ]" 3
405 1 141 THR HA 1 143 ASP H 3.300 . 3.800 3.792 3.445 3.984 0.184 10 0 "[ . 1 ]" 3
406 1 141 THR MG 1 142 ILE H 6.300 . 6.800 2.494 1.751 3.807 0.049 9 0 "[ . 1 ]" 3
407 1 141 THR MG 1 143 ASP H 6.300 . 6.800 4.602 3.846 5.510 . 0 0 "[ . 1 ]" 3
408 1 142 ILE H 1 142 ILE MD 4.400 . 4.900 2.639 1.834 3.651 . 0 0 "[ . 1 ]" 3
409 1 142 ILE H 1 143 ASP QB 6.300 . 6.800 5.066 4.431 5.362 . 0 0 "[ . 1 ]" 3
410 1 142 ILE HB 1 143 ASP H 3.300 . 3.800 3.049 2.496 4.093 0.293 9 0 "[ . 1 ]" 3
411 1 142 ILE MD 1 143 ASP H 5.600 . 6.100 3.864 1.767 4.818 0.033 6 0 "[ . 1 ]" 3
412 1 143 ASP HA 1 145 ASP H 3.600 . 4.100 3.959 3.353 4.131 0.031 1 0 "[ . 1 ]" 3
413 1 145 ASP H 1 147 SER QB 6.300 . 6.800 5.215 3.995 6.123 . 0 0 "[ . 1 ]" 3
414 1 145 ASP HA 1 146 ASP H 3.300 . 3.800 3.536 3.490 3.572 . 0 0 "[ . 1 ]" 3
415 1 145 ASP HA 1 147 SER H 4.200 . 4.700 4.596 4.001 4.865 0.165 8 0 "[ . 1 ]" 3
416 1 146 ASP H 1 147 SER QB 6.300 . 6.800 4.661 4.328 5.012 . 0 0 "[ . 1 ]" 3
417 1 146 ASP H 1 149 ILE QG 6.300 . 6.800 5.885 5.629 6.076 . 0 0 "[ . 1 ]" 3
418 1 146 ASP QB 1 149 ILE H 6.300 . 6.800 3.987 2.708 5.357 . 0 0 "[ . 1 ]" 3
419 1 146 ASP QB 1 147 SER H 3.700 2.200 4.200 3.153 2.258 3.855 . 0 0 "[ . 1 ]" 3
420 1 147 SER H 1 149 ILE HB 6.300 . 6.800 4.563 4.375 4.740 . 0 0 "[ . 1 ]" 3
421 1 147 SER H 1 149 ILE MG 6.300 . 6.800 5.701 5.515 5.856 . 0 0 "[ . 1 ]" 3
422 1 147 SER H 1 149 ILE QG 6.300 . 6.800 5.534 4.760 6.050 . 0 0 "[ . 1 ]" 3
423 1 147 SER QB 1 149 ILE H 6.300 . 6.800 4.130 3.400 4.620 . 0 0 "[ . 1 ]" 3
424 1 149 ILE H 1 149 ILE MD 3.300 . 3.800 2.712 2.395 3.051 . 0 0 "[ . 1 ]" 3
425 1 149 ILE MG 1 150 ASN QD 5.600 . 6.100 4.320 4.119 4.531 . 0 0 "[ . 1 ]" 3
426 1 149 ILE MG 1 167 THR H 6.300 . 6.800 5.130 4.654 5.506 . 0 0 "[ . 1 ]" 3
427 1 149 ILE MG 1 168 LYS H 3.900 . 4.400 3.646 3.567 3.737 . 0 0 "[ . 1 ]" 3
428 1 149 ILE QG 1 150 ASN H 6.300 . 6.800 2.797 1.986 3.480 . 0 0 "[ . 1 ]" 3
429 1 164 ALA MB 1 166 TRP H 6.300 . 6.800 4.595 4.206 5.038 . 0 0 "[ . 1 ]" 3
430 1 149 ILE MD 1 167 THR H 6.300 . 6.800 5.058 4.264 5.554 . 0 0 "[ . 1 ]" 3
431 1 150 ASN H 1 166 TRP QB 6.000 . 6.500 3.996 3.867 4.129 . 0 0 "[ . 1 ]" 3
432 1 150 ASN H 1 167 THR MG 5.300 . 5.800 3.994 3.656 4.435 . 0 0 "[ . 1 ]" 3
433 1 150 ASN HA 1 151 GLY H 5.300 . 5.800 3.561 3.542 3.576 . 0 0 "[ . 1 ]" 3
434 1 150 ASN QD 1 166 TRP QB 7.300 . 7.800 1.709 1.630 1.776 0.170 9 0 "[ . 1 ]" 3
435 1 152 VAL HA 1 165 LEU H 5.100 . 5.600 4.864 4.387 5.062 . 0 0 "[ . 1 ]" 3
436 1 152 VAL HA 1 166 TRP H 3.300 . 3.800 2.156 1.997 2.222 . 0 0 "[ . 1 ]" 3
437 1 152 VAL HA 1 166 TRP HE1 5.300 . 5.800 5.873 5.805 5.915 0.115 7 0 "[ . 1 ]" 3
438 1 152 VAL HB 1 154 LEU H 5.300 . 5.800 5.835 5.807 5.869 0.069 1 0 "[ . 1 ]" 3
439 1 152 VAL HB 1 166 TRP H 5.300 . 5.800 4.508 4.364 4.648 . 0 0 "[ . 1 ]" 3
440 1 152 VAL MG1 1 166 TRP H 3.300 . 3.800 2.920 2.720 3.063 . 0 0 "[ . 1 ]" 3
441 1 153 VAL H 1 153 VAL HB 3.300 . 3.800 2.763 2.617 3.002 . 0 0 "[ . 1 ]" 3
442 1 153 VAL H 1 153 VAL MG1 4.000 2.500 4.500 3.845 3.767 3.907 . 0 0 "[ . 1 ]" 3
443 1 153 VAL HB 1 154 LEU H 5.000 . 5.500 3.682 3.339 3.758 . 0 0 "[ . 1 ]" 3
444 1 153 VAL MG1 1 154 LEU H 5.100 . 5.600 1.858 1.759 2.209 0.041 11 0 "[ . 1 ]" 3
445 1 154 LEU HA 1 164 ALA H 5.300 . 5.800 2.729 2.601 2.865 . 0 0 "[ . 1 ]" 3
446 1 154 LEU HG 1 164 ALA H 4.800 . 5.300 5.217 5.035 5.387 0.087 10 0 "[ . 1 ]" 3
447 1 154 LEU MD1 1 155 SER H 4.800 . 5.300 3.938 3.849 4.080 . 0 0 "[ . 1 ]" 3
448 1 154 LEU MD1 1 162 LYS H 6.300 . 6.800 5.185 4.846 5.345 . 0 0 "[ . 1 ]" 3
449 1 155 SER H 1 156 ILE QG 6.300 . 6.800 3.799 3.489 3.924 . 0 0 "[ . 1 ]" 3
450 1 155 SER H 1 162 LYS QB 5.500 . 6.000 3.858 3.492 4.218 . 0 0 "[ . 1 ]" 3
451 1 155 SER H 1 163 PHE HA 5.300 . 5.800 2.842 2.549 3.129 . 0 0 "[ . 1 ]" 3
452 1 156 ILE HA 1 162 LYS H 4.300 . 4.800 2.465 2.316 2.657 . 0 0 "[ . 1 ]" 3
453 1 156 ILE MG 1 161 ASN QD . . 6.600 3.947 2.950 4.532 . 0 0 "[ . 1 ]" 3
454 1 156 ILE QG 1 161 ASN H 6.300 . 6.800 5.266 4.445 5.843 . 0 0 "[ . 1 ]" 3
455 1 156 ILE QG 1 161 ASN QD . . 6.300 4.358 3.798 4.853 . 0 0 "[ . 1 ]" 3
456 1 156 ILE MD 1 161 ASN H 6.300 . 6.800 4.901 4.201 5.572 . 0 0 "[ . 1 ]" 3
457 1 157 ARG H 1 158 LYS QB 6.300 . 6.800 5.025 3.361 5.773 . 0 0 "[ . 1 ]" 3
458 1 157 ARG H 1 161 ASN QB 6.300 . 6.800 4.200 3.558 4.521 . 0 0 "[ . 1 ]" 3
459 1 158 LYS H 1 158 LYS QG 4.600 . 5.100 3.790 3.103 4.364 . 0 0 "[ . 1 ]" 3
460 1 158 LYS QB 1 160 GLY H 4.900 . 5.400 4.123 2.296 4.896 . 0 0 "[ . 1 ]" 3
461 1 160 GLY H 1 161 ASN QB 6.300 . 6.800 4.972 4.579 5.242 . 0 0 "[ . 1 ]" 3
462 1 160 GLY QA 1 161 ASN QD 7.300 . 7.800 3.898 2.805 5.314 . 0 0 "[ . 1 ]" 3
463 1 161 ASN HA 1 162 LYS H 4.500 . 5.000 2.374 2.162 2.543 . 0 0 "[ . 1 ]" 3
464 1 163 PHE H 1 163 PHE QD 4.400 . 4.900 3.126 2.562 4.274 . 0 0 "[ . 1 ]" 3
465 1 163 PHE H 1 186 LEU MD1 6.300 . 6.800 4.875 4.081 5.511 . 0 0 "[ . 1 ]" 3
466 1 164 ALA MB 1 166 TRP HE1 5.300 . 5.800 2.435 1.923 2.765 . 0 0 "[ . 1 ]" 3
467 1 165 LEU QB 1 166 TRP H 4.800 . 5.300 3.756 3.587 3.872 . 0 0 "[ . 1 ]" 3
468 1 165 LEU MD1 1 166 TRP H 6.300 . 6.800 2.573 2.031 2.842 . 0 0 "[ . 1 ]" 3
469 1 166 TRP QB 1 167 THR H 6.300 . 6.800 3.199 3.032 3.537 . 0 0 "[ . 1 ]" 3
470 1 167 THR MG 1 168 LYS H 6.300 . 6.800 3.849 3.709 4.015 . 0 0 "[ . 1 ]" 3
471 1 167 THR MG 1 169 CYS H 4.700 . 5.200 4.114 3.918 4.303 . 0 0 "[ . 1 ]" 3
472 1 168 LYS QB 1 169 CYS H 3.300 . 3.800 3.065 2.425 3.522 . 0 0 "[ . 1 ]" 3
473 1 168 LYS QG 1 169 CYS H 3.700 . 4.200 2.873 1.907 3.799 . 0 0 "[ . 1 ]" 3
474 1 169 CYS H 1 175 LEU MD1 6.300 . 6.800 4.176 3.596 4.583 . 0 0 "[ . 1 ]" 3
475 1 169 CYS HA 1 171 ASP H 3.300 . 3.800 3.746 3.585 3.838 0.038 7 0 "[ . 1 ]" 3
476 1 170 GLU H 1 175 LEU MD1 6.300 . 6.800 5.185 4.080 5.523 . 0 0 "[ . 1 ]" 3
477 1 170 GLU HA 1 171 ASP H 3.300 . 3.800 2.928 2.816 3.281 . 0 0 "[ . 1 ]" 3
478 1 170 GLU QB 1 171 ASP H 6.300 . 6.800 3.829 3.409 4.039 . 0 0 "[ . 1 ]" 3
479 1 170 GLU QG 1 171 ASP H 5.000 . 5.500 4.394 3.555 4.877 . 0 0 "[ . 1 ]" 3
480 1 171 ASP H 1 175 LEU MD1 6.300 . 6.800 4.314 3.700 4.595 . 0 0 "[ . 1 ]" 3
481 1 171 ASP HA 1 173 GLU H 3.300 . 3.800 3.835 3.658 4.068 0.268 9 0 "[ . 1 ]" 3
482 1 171 ASP QB 1 173 GLU H 4.700 . 5.200 2.981 2.532 3.638 . 0 0 "[ . 1 ]" 3
483 1 171 ASP QB 1 175 LEU H 6.300 . 6.800 4.826 4.488 5.269 . 0 0 "[ . 1 ]" 3
484 1 172 LYS H 1 175 LEU MD1 6.300 . 6.800 3.538 2.118 3.976 . 0 0 "[ . 1 ]" 3
485 1 172 LYS QG 1 173 GLU H 5.500 . 6.000 4.498 4.229 4.620 . 0 0 "[ . 1 ]" 3
486 1 173 GLU H 1 175 LEU MD1 6.300 . 6.800 4.312 3.400 4.788 . 0 0 "[ . 1 ]" 3
487 1 173 GLU H 1 176 LEU MD1 6.300 . 6.800 4.304 3.888 4.901 . 0 0 "[ . 1 ]" 3
488 1 175 LEU HA 1 176 LEU H 3.300 . 3.800 3.575 3.560 3.591 . 0 0 "[ . 1 ]" 3
489 1 175 LEU HA 1 179 GLY H 5.100 . 5.600 3.475 3.084 3.778 . 0 0 "[ . 1 ]" 3
490 1 175 LEU HG 1 176 LEU H 4.300 . 4.800 4.320 3.953 4.885 0.085 2 0 "[ . 1 ]" 3
491 1 175 LEU MD1 1 176 LEU H 6.300 . 6.800 3.944 3.616 4.196 . 0 0 "[ . 1 ]" 3
492 1 175 LEU MD1 1 177 ARG H 6.300 . 6.800 5.415 4.558 5.940 . 0 0 "[ . 1 ]" 3
493 1 176 LEU HA 1 179 GLY H 3.600 . 4.100 3.858 3.672 4.111 0.011 5 0 "[ . 1 ]" 3
494 1 177 ARG H 1 178 ILE MD 6.300 . 6.800 5.366 4.963 5.540 . 0 0 "[ . 1 ]" 3
495 1 177 ARG HA 1 180 GLY H 3.300 . 3.800 3.765 3.684 3.837 0.037 9 0 "[ . 1 ]" 3
496 1 178 ILE HA 1 179 GLY H 5.300 . 5.800 3.564 3.523 3.577 . 0 0 "[ . 1 ]" 3
497 1 178 ILE HA 1 181 LYS H 4.800 . 5.300 3.574 3.329 3.786 . 0 0 "[ . 1 ]" 3
498 1 178 ILE MD 1 179 GLY H 5.500 . 6.000 4.709 4.639 4.904 . 0 0 "[ . 1 ]" 3
499 1 179 GLY H 1 180 GLY QA 6.300 . 6.800 4.707 4.598 4.770 . 0 0 "[ . 1 ]" 3
500 1 179 GLY QA 1 181 LYS H 6.300 . 6.800 4.201 3.959 4.582 . 0 0 "[ . 1 ]" 3
501 1 180 GLY QA 1 183 LYS H 4.600 . 5.100 3.398 3.127 3.883 . 0 0 "[ . 1 ]" 3
502 1 181 LYS H 1 182 PHE QB 4.800 . 5.300 4.411 4.039 4.488 . 0 0 "[ . 1 ]" 3
503 1 181 LYS HA 1 182 PHE H 3.300 . 3.800 3.527 3.403 3.567 . 0 0 "[ . 1 ]" 3
504 1 181 LYS HA 1 183 LYS H 3.400 . 3.900 3.882 3.738 3.950 0.050 5 0 "[ . 1 ]" 3
505 1 182 PHE HA 1 183 LYS H 4.500 . 5.000 3.441 3.375 3.498 . 0 0 "[ . 1 ]" 3
506 1 182 PHE HA 1 184 GLN H 5.300 . 5.800 4.646 4.388 4.948 . 0 0 "[ . 1 ]" 3
507 1 182 PHE HA 1 185 VAL H 4.800 . 5.300 3.499 3.231 4.080 . 0 0 "[ . 1 ]" 3
508 1 182 PHE HA 1 186 LEU H 5.300 . 5.800 4.821 4.501 5.666 . 0 0 "[ . 1 ]" 3
509 1 182 PHE QB 1 184 GLN H 6.300 . 6.800 5.128 4.680 5.337 . 0 0 "[ . 1 ]" 3
510 1 183 LYS H 1 186 LEU MD1 6.300 . 6.800 4.537 4.239 5.040 . 0 0 "[ . 1 ]" 3
511 1 183 LYS HA 1 184 GLN H 3.500 . 4.000 3.556 3.499 3.570 . 0 0 "[ . 1 ]" 3
512 1 183 LYS HA 1 184 GLN QE 6.300 . 6.800 5.572 5.378 5.903 . 0 0 "[ . 1 ]" 3
513 1 183 LYS QB 1 185 VAL H 6.300 . 6.800 4.776 4.367 4.965 . 0 0 "[ . 1 ]" 3
514 1 183 LYS QB 1 186 LEU H 6.300 . 6.800 5.051 4.754 5.438 . 0 0 "[ . 1 ]" 3
515 1 184 GLN H 1 186 LEU MD1 6.300 . 6.800 5.030 4.255 5.381 . 0 0 "[ . 1 ]" 3
516 1 184 GLN HA 1 185 VAL H 3.300 . 3.800 3.518 3.501 3.533 . 0 0 "[ . 1 ]" 3
517 1 184 GLN HA 1 186 LEU H 5.300 . 5.800 3.815 3.633 3.974 . 0 0 "[ . 1 ]" 3
518 1 184 GLN HA 1 188 LEU H 3.800 . 4.300 3.173 2.686 3.877 . 0 0 "[ . 1 ]" 3
519 1 184 GLN QB 1 187 LYS H 6.300 . 6.800 4.335 4.273 4.381 . 0 0 "[ . 1 ]" 3
520 1 185 VAL H 1 186 LEU MD1 6.300 . 6.800 5.104 4.764 5.228 . 0 0 "[ . 1 ]" 3
521 1 185 VAL HA 1 187 LYS H 5.300 . 5.800 3.496 3.453 3.553 . 0 0 "[ . 1 ]" 3
522 1 185 VAL MG1 1 188 LEU H 7.300 2.200 7.800 6.423 6.179 6.477 . 0 0 "[ . 1 ]" 3
523 1 185 VAL QG 1 187 LYS H 4.900 . 5.400 4.101 4.055 4.141 . 0 0 "[ . 1 ]" 3
524 1 186 LEU HA 1 188 LEU H 5.300 . 5.800 4.702 4.411 5.032 . 0 0 "[ . 1 ]" 3
525 1 186 LEU MD1 1 187 LYS H 6.300 . 6.800 4.937 4.623 5.100 . 0 0 "[ . 1 ]" 3
526 1 186 LEU QD 1 188 LEU H 7.700 . 8.200 4.268 4.146 4.533 . 0 0 "[ . 1 ]" 3
527 1 187 LYS QB 1 188 LEU H 4.700 . 5.200 3.817 3.748 3.888 . 0 0 "[ . 1 ]" 3
528 1 187 LYS QG 1 188 LEU H 6.300 . 6.800 4.485 4.236 4.685 . 0 0 "[ . 1 ]" 3
529 1 188 LEU QB 1 189 THR H 6.300 . 6.800 2.340 1.861 3.797 . 0 0 "[ . 1 ]" 3
530 1 188 LEU MD1 1 189 THR H 6.300 . 6.800 2.073 1.795 3.606 0.005 5 0 "[ . 1 ]" 3
531 1 188 LEU MD1 1 193 HIS H 6.300 . 6.800 2.993 1.812 4.122 . 0 0 "[ . 1 ]" 3
532 1 188 LEU MD1 1 194 LEU H 6.300 . 6.800 4.808 3.382 5.585 . 0 0 "[ . 1 ]" 3
533 1 189 THR H 1 191 ASP QB 6.300 . 6.800 4.029 2.506 6.058 . 0 0 "[ . 1 ]" 3
534 1 189 THR HA 1 191 ASP H 3.300 . 3.800 3.830 3.594 4.069 0.269 5 0 "[ . 1 ]" 3
535 1 189 THR MG 1 191 ASP H 6.300 . 6.800 4.033 3.298 5.292 . 0 0 "[ . 1 ]" 3
536 1 191 ASP H 1 192 GLY QA 6.300 . 6.800 4.492 3.554 5.587 . 0 0 "[ . 1 ]" 3
537 1 191 ASP QB 1 193 HIS H 6.300 . 6.800 3.692 2.217 5.589 . 0 0 "[ . 1 ]" 3
538 1 192 GLY QA 1 194 LEU H 6.300 . 6.800 4.336 2.946 5.689 . 0 0 "[ . 1 ]" 3
539 1 193 HIS H 1 194 LEU QD 7.700 . 8.200 4.956 4.079 5.664 . 0 0 "[ . 1 ]" 3
540 1 193 HIS H 1 213 LEU QB 6.300 . 6.800 3.400 2.828 4.314 . 0 0 "[ . 1 ]" 3
541 1 193 HIS H 1 213 LEU HG 5.300 . 5.800 5.797 5.491 5.952 0.152 7 0 "[ . 1 ]" 3
542 1 193 HIS HA 1 213 LEU H 5.000 . 5.500 4.943 3.884 5.808 0.308 11 0 "[ . 1 ]" 3
543 1 194 LEU H 1 194 LEU QB 3.400 . 3.900 2.701 2.062 3.098 . 0 0 "[ . 1 ]" 3
544 1 194 LEU H 1 212 THR HA 3.700 2.200 4.200 4.306 4.218 4.444 0.244 9 0 "[ . 1 ]" 3
545 1 194 LEU QB 1 213 LEU H 6.300 . 6.800 2.724 2.084 3.367 . 0 0 "[ . 1 ]" 3
546 1 195 GLU H 1 195 GLU QG 3.300 . 3.800 2.967 2.230 3.344 . 0 0 "[ . 1 ]" 3
547 1 195 GLU H 1 212 THR MG 6.300 . 6.800 4.824 4.214 5.169 . 0 0 "[ . 1 ]" 3
548 1 195 GLU HA 1 211 ILE H 5.300 . 5.800 4.399 3.846 4.756 . 0 0 "[ . 1 ]" 3
549 1 195 GLU HA 1 213 LEU H 3.300 . 3.800 3.615 3.356 3.913 0.113 3 0 "[ . 1 ]" 3
550 1 195 GLU QB 1 196 PHE H 3.500 . 4.000 3.445 2.975 3.664 . 0 0 "[ . 1 ]" 3
551 1 195 GLU QG 1 196 PHE H 6.300 . 6.800 4.335 3.869 4.616 . 0 0 "[ . 1 ]" 3
552 1 196 PHE H 1 196 PHE QD 4.300 . 4.800 2.144 1.848 2.886 . 0 0 "[ . 1 ]" 3
553 1 196 PHE H 1 212 THR HA 3.300 . 3.800 3.535 3.194 3.858 0.058 2 0 "[ . 1 ]" 3
554 1 196 PHE H 1 212 THR MG 6.300 . 6.800 3.499 2.966 4.186 . 0 0 "[ . 1 ]" 3
555 1 196 PHE HA 1 211 ILE H 5.300 . 5.800 4.540 4.261 4.931 . 0 0 "[ . 1 ]" 3
556 1 196 PHE QB 1 197 PHE H 6.300 . 6.800 3.481 3.232 3.649 . 0 0 "[ . 1 ]" 3
557 1 196 PHE QE 1 212 THR H 5.500 . 6.000 4.470 3.949 5.685 . 0 0 "[ . 1 ]" 3
558 1 196 PHE QD 1 210 SER H 5.500 . 6.000 4.564 2.525 5.640 . 0 0 "[ . 1 ]" 3
559 1 196 PHE QE 1 213 LEU H 6.000 . 6.500 3.422 2.377 4.552 . 0 0 "[ . 1 ]" 3
560 1 199 HIS H 1 200 CYS QB 4.600 . 5.100 4.576 4.358 4.656 . 0 0 "[ . 1 ]" 3
561 1 199 HIS H 1 202 ALA MB 6.300 . 6.800 5.400 3.925 5.631 . 0 0 "[ . 1 ]" 3
562 1 199 HIS HA 1 201 SER H 3.300 . 3.800 3.632 3.350 3.825 0.025 10 0 "[ . 1 ]" 3
563 1 199 HIS QB 1 200 CYS H 4.300 . 4.800 3.466 3.234 3.734 . 0 0 "[ . 1 ]" 3
564 1 200 CYS H 1 202 ALA MB 6.300 . 6.800 5.388 4.604 5.712 . 0 0 "[ . 1 ]" 3
565 1 201 SER H 1 202 ALA MB 4.600 . 5.100 4.110 3.772 4.252 . 0 0 "[ . 1 ]" 3
566 1 201 SER QB 1 203 ASN H 6.300 . 6.800 4.118 3.101 5.451 . 0 0 "[ . 1 ]" 3
567 1 202 ALA H 1 203 ASN QB 6.300 . 6.800 5.346 4.754 5.792 . 0 0 "[ . 1 ]" 3
568 1 202 ALA HA 1 203 ASN H 3.300 . 3.800 2.885 2.384 3.566 . 0 0 "[ . 1 ]" 3
569 1 202 ALA MB 1 203 ASN H 6.300 . 6.800 3.340 2.223 3.716 . 0 0 "[ . 1 ]" 3
570 1 202 ALA MB 1 203 ASN QD 7.300 . 7.800 3.805 2.803 4.529 . 0 0 "[ . 1 ]" 3
571 1 203 ASN HA 1 204 GLY H 3.300 . 3.800 3.180 2.423 3.573 . 0 0 "[ . 1 ]" 3
572 1 203 ASN QB 1 204 GLY H 5.400 . 5.600 3.147 2.126 4.009 . 0 0 "[ . 1 ]" 3
573 1 204 GLY QA 1 206 HIS H 6.300 . 6.800 3.787 2.959 6.016 . 0 0 "[ . 1 ]" 3
574 1 205 ARG QB 1 206 HIS H . . 5.100 3.365 2.111 4.041 . 0 0 "[ . 1 ]" 3
575 1 210 SER H 1 211 ILE HB 5.300 . 5.800 5.524 4.334 5.907 0.107 6 0 "[ . 1 ]" 3
576 1 210 SER H 1 211 ILE MG 5.900 2.200 6.400 5.107 4.598 5.454 . 0 0 "[ . 1 ]" 3
577 1 210 SER H 1 211 ILE MD 6.300 . 6.800 5.339 3.783 5.748 . 0 0 "[ . 1 ]" 3
578 1 210 SER H 1 212 THR MG 6.300 . 6.800 4.693 4.274 5.612 . 0 0 "[ . 1 ]" 3
579 1 211 ILE H 1 211 ILE HB 3.300 . 3.800 3.504 2.998 3.766 . 0 0 "[ . 1 ]" 3
580 1 211 ILE H 1 211 ILE MD 4.900 . 5.400 3.979 3.613 4.186 . 0 0 "[ . 1 ]" 3
581 1 211 ILE H 1 213 LEU MD1 6.300 . 6.800 5.519 5.401 5.600 . 0 0 "[ . 1 ]" 3
582 1 211 ILE HA 1 213 LEU H 5.300 . 5.800 5.737 5.595 5.861 0.061 3 0 "[ . 1 ]" 3
583 1 211 ILE HB 1 213 LEU H 3.700 . 4.200 4.156 3.996 4.296 0.096 2 0 "[ . 1 ]" 3
584 1 211 ILE MG 1 212 THR H 3.300 . 3.800 2.407 1.824 2.783 . 0 0 "[ . 1 ]" 3
585 1 211 ILE MD 1 212 THR H 5.000 2.200 5.500 4.363 4.147 4.511 . 0 0 "[ . 1 ]" 3
586 1 212 THR H 1 213 LEU MD1 6.200 . 6.700 4.070 3.736 4.505 . 0 0 "[ . 1 ]" 3
587 1 40 ASN H 1 41 THR H 3.500 . 4.000 2.049 1.852 2.389 . 0 0 "[ . 1 ]" 3
588 1 40 ASN H 1 42 LYS H 5.600 . 6.100 6.313 6.234 6.404 0.304 9 0 "[ . 1 ]" 3
589 1 40 ASN H 1 43 TRP HE1 5.600 . 6.100 5.139 4.219 6.079 . 0 0 "[ . 1 ]" 3
590 1 40 ASN QD 1 41 THR H 5.800 . 6.300 3.594 2.825 4.451 . 0 0 "[ . 1 ]" 3
591 1 41 THR H 1 69 GLN H 5.600 . 6.100 6.023 5.732 6.193 0.093 8 0 "[ . 1 ]" 3
592 1 42 LYS H 1 43 TRP H 4.500 . 5.000 4.318 4.117 4.488 . 0 0 "[ . 1 ]" 3
593 1 42 LYS H 1 43 TRP HE1 5.600 . 6.100 5.157 4.751 5.673 . 0 0 "[ . 1 ]" 3
594 1 42 LYS H 1 98 ASN H 5.600 . 6.100 4.561 2.806 6.091 . 0 0 "[ . 1 ]" 3
595 1 42 LYS H 1 98 ASN QD 6.600 . 7.100 4.842 4.021 5.638 . 0 0 "[ . 1 ]" 3
596 1 43 TRP H 1 44 THR H 5.000 . 5.500 4.323 3.993 4.421 . 0 0 "[ . 1 ]" 3
597 1 43 TRP H 1 69 GLN H 5.600 . 6.100 4.679 3.287 5.475 . 0 0 "[ . 1 ]" 3
598 1 44 THR H 1 45 LEU H 4.000 . 4.500 4.414 4.229 4.562 0.062 2 0 "[ . 1 ]" 3
599 1 44 THR H 1 68 PHE H 5.000 . 5.500 5.532 5.378 5.629 0.129 9 0 "[ . 1 ]" 3
600 1 44 THR H 1 97 ARG H 4.500 . 5.000 5.011 4.846 5.066 0.066 4 0 "[ . 1 ]" 3
601 1 44 THR H 1 98 ASN H 6.600 . 7.100 5.701 5.226 6.441 . 0 0 "[ . 1 ]" 3
602 1 45 LEU H 1 67 SER H 6.000 . 6.500 3.779 2.471 4.628 . 0 0 "[ . 1 ]" 3
603 1 46 TRP H 1 65 VAL H 5.600 . 6.100 4.201 3.989 4.609 . 0 0 "[ . 1 ]" 3
604 1 46 TRP H 1 95 VAL H 5.600 . 6.100 4.889 4.620 5.241 . 0 0 "[ . 1 ]" 3
605 1 48 THR H 1 94 HIS H 5.600 . 6.100 5.087 4.453 5.606 . 0 0 "[ . 1 ]" 3
606 1 49 LYS H 1 63 ARG H 5.600 . 6.100 4.968 3.467 6.149 0.049 3 0 "[ . 1 ]" 3
607 1 51 ALA H 1 54 LYS H 5.600 . 6.100 5.447 4.630 6.166 0.066 3 0 "[ . 1 ]" 3
608 1 52 VAL H 1 54 LYS H 5.600 . 6.100 4.779 4.055 6.074 . 0 0 "[ . 1 ]" 3
609 1 52 VAL H 1 55 SER H 5.600 . 6.100 5.860 5.151 6.199 0.099 9 0 "[ . 1 ]" 3
610 1 52 VAL H 1 56 GLU H 5.600 . 6.100 5.812 4.990 6.123 0.023 6 0 "[ . 1 ]" 3
611 1 53 ASP H 1 55 SER H 5.600 . 6.100 4.220 3.798 4.785 . 0 0 "[ . 1 ]" 3
612 1 53 ASP H 1 56 GLU H 5.600 . 6.100 4.091 3.323 4.629 . 0 0 "[ . 1 ]" 3
613 1 54 LYS H 1 56 GLU H 4.600 . 5.100 3.660 3.062 4.053 . 0 0 "[ . 1 ]" 3
614 1 57 SER H 1 58 TRP H 4.300 . 4.800 4.029 3.817 4.259 . 0 0 "[ . 1 ]" 3
615 1 57 SER H 1 59 SER H 5.000 2.200 5.500 4.907 4.658 5.265 . 0 0 "[ . 1 ]" 3
616 1 57 SER H 1 60 ASP H 5.600 . 6.100 3.772 3.535 4.138 . 0 0 "[ . 1 ]" 3
617 1 58 TRP H 1 60 ASP H 5.600 . 6.100 3.953 3.854 4.014 . 0 0 "[ . 1 ]" 3
618 1 58 TRP H 1 61 LEU H 5.600 . 6.100 4.993 4.802 5.152 . 0 0 "[ . 1 ]" 3
619 1 58 TRP HE1 1 59 SER H 5.600 . 6.100 5.836 5.285 6.144 0.044 5 0 "[ . 1 ]" 3
620 1 58 TRP HE1 1 62 LEU H 5.600 . 6.100 6.210 6.151 6.262 0.162 7 0 "[ . 1 ]" 3
621 1 59 SER H 1 62 LEU H 5.600 . 6.100 5.167 5.091 5.321 . 0 0 "[ . 1 ]" 3
622 1 62 LEU H 1 63 ARG H 4.000 . 4.500 4.463 4.396 4.564 0.064 3 0 "[ . 1 ]" 3
623 1 65 VAL H 1 67 SER H 6.000 . 6.500 6.257 5.918 6.543 0.043 10 0 "[ . 1 ]" 3
624 1 68 PHE H 1 70 THR H 5.600 . 6.100 4.281 3.657 5.030 . 0 0 "[ . 1 ]" 3
625 1 69 GLN H 1 73 GLU H 6.800 2.300 7.300 7.430 7.321 7.519 0.219 6 0 "[ . 1 ]" 3
626 1 70 THR H 1 72 GLU H 5.600 . 6.100 5.482 5.215 6.055 . 0 0 "[ . 1 ]" 3
627 1 70 THR H 1 73 GLU H 5.600 . 6.100 5.671 5.116 5.963 . 0 0 "[ . 1 ]" 3
628 1 70 THR H 1 74 PHE H 6.100 . 6.600 6.001 5.298 6.564 . 0 0 "[ . 1 ]" 3
629 1 71 VAL H 1 74 PHE H 5.600 . 6.100 4.633 4.060 5.529 . 0 0 "[ . 1 ]" 3
630 1 72 GLU H 1 75 TRP H 5.600 . 6.100 4.732 4.575 4.901 . 0 0 "[ . 1 ]" 3
631 1 73 GLU H 1 76 ALA H 5.600 . 6.100 4.891 4.662 5.100 . 0 0 "[ . 1 ]" 3
632 1 74 PHE H 1 77 ILE H 5.600 . 6.100 5.272 5.140 5.441 . 0 0 "[ . 1 ]" 3
633 1 75 TRP H 1 78 ILE H 5.600 . 6.100 4.852 4.700 4.937 . 0 0 "[ . 1 ]" 3
634 1 78 ILE H 1 81 ILE H 5.600 . 6.100 5.369 5.122 5.469 . 0 0 "[ . 1 ]" 3
635 1 79 GLN QE 1 80 ASN QD 7.600 . 8.100 4.920 1.788 5.880 0.012 11 0 "[ . 1 ]" 3
636 1 79 GLN QE 1 81 ILE H 6.600 . 7.100 4.856 4.102 5.440 . 0 0 "[ . 1 ]" 3
637 1 80 ASN H 1 83 GLU H 6.600 . 7.100 6.627 6.299 7.115 0.015 3 0 "[ . 1 ]" 3
638 1 80 ASN QD 1 83 GLU H 7.600 . 8.100 7.000 5.172 7.461 . 0 0 "[ . 1 ]" 3
639 1 83 GLU H 1 86 GLU H 5.600 . 6.100 4.490 3.685 4.947 . 0 0 "[ . 1 ]" 3
640 1 83 GLU H 1 87 LEU H 5.600 . 6.100 5.068 4.188 5.630 . 0 0 "[ . 1 ]" 3
641 1 85 HIS H 1 124 ALA H 7.600 . 8.100 7.051 5.762 7.967 . 0 0 "[ . 1 ]" 3
642 1 85 HIS H 1 126 ILE H 7.600 . 8.100 6.932 6.473 7.256 . 0 0 "[ . 1 ]" 3
643 1 89 LEU H 1 91 SER H 5.600 . 6.100 4.861 4.712 5.230 . 0 0 "[ . 1 ]" 3
644 1 90 LYS H 1 157 ARG H 5.600 . 6.100 3.475 3.182 5.211 . 0 0 "[ . 1 ]" 3
645 1 90 LYS H 1 157 ARG HE 5.600 . 6.100 4.766 3.407 5.696 . 0 0 "[ . 1 ]" 3
646 1 90 LYS H 1 158 LYS H 5.600 . 6.100 3.622 2.897 4.392 . 0 0 "[ . 1 ]" 3
647 1 91 SER H 1 155 SER H 6.100 . 6.600 6.745 6.672 6.781 0.181 4 0 "[ . 1 ]" 3
648 1 91 SER H 1 157 ARG H 5.600 . 6.100 4.635 4.442 4.833 . 0 0 "[ . 1 ]" 3
649 1 91 SER H 1 157 ARG HE 5.600 . 6.100 5.013 3.743 6.014 . 0 0 "[ . 1 ]" 3
650 1 92 ASP H 1 93 TYR H 5.300 . 5.800 4.094 3.732 4.357 . 0 0 "[ . 1 ]" 3
651 1 94 HIS H 1 95 VAL H 5.600 . 6.100 4.292 4.112 4.425 . 0 0 "[ . 1 ]" 3
652 1 95 VAL H 1 154 LEU H 5.600 . 6.100 5.359 5.183 5.657 . 0 0 "[ . 1 ]" 3
653 1 96 PHE H 1 97 ARG H 5.300 . 5.800 4.350 4.287 4.386 . 0 0 "[ . 1 ]" 3
654 1 97 ARG H 1 99 ASP H 4.600 . 5.100 3.583 3.171 4.613 . 0 0 "[ . 1 ]" 3
655 1 98 ASN QD 1 99 ASP H 6.600 . 7.100 3.576 1.779 4.274 0.021 4 0 "[ . 1 ]" 3
656 1 101 ARG H 1 103 GLU H 5.600 . 6.100 4.069 3.857 4.568 . 0 0 "[ . 1 ]" 3
657 1 101 ARG H 1 106 ASP H 5.600 . 6.100 6.098 5.685 6.322 0.222 1 0 "[ . 1 ]" 3
658 1 101 ARG H 1 107 GLU H 5.600 . 6.100 4.343 3.235 4.972 . 0 0 "[ . 1 ]" 3
659 1 101 ARG H 1 108 ALA H 5.600 . 6.100 5.946 5.259 6.225 0.125 1 0 "[ . 1 ]" 3
660 1 101 ARG H 1 110 ALA H 6.000 . 6.500 5.530 4.593 5.836 . 0 0 "[ . 1 ]" 3
661 1 103 GLU H 1 104 TRP H 5.600 . 6.100 4.334 3.933 4.406 . 0 0 "[ . 1 ]" 3
662 1 103 GLU H 1 105 GLU H 6.500 . 7.000 3.983 3.241 4.267 . 0 0 "[ . 1 ]" 3
663 1 103 GLU H 1 106 ASP H 4.600 . 5.100 2.961 2.472 3.495 . 0 0 "[ . 1 ]" 3
664 1 104 TRP H 1 106 ASP H 4.600 . 5.100 4.149 3.864 4.267 . 0 0 "[ . 1 ]" 3
665 1 104 TRP HE1 1 105 GLU H 6.600 . 7.100 6.035 4.659 6.891 . 0 0 "[ . 1 ]" 3
666 1 106 ASP H 1 109 ASN H 4.600 . 5.100 4.001 3.376 4.346 . 0 0 "[ . 1 ]" 3
667 1 106 ASP H 1 110 ALA H 5.500 . 6.000 5.629 4.949 6.056 0.056 9 0 "[ . 1 ]" 3
668 1 107 GLU H 1 109 ASN QD 6.600 . 7.100 4.079 3.333 4.720 . 0 0 "[ . 1 ]" 3
669 1 107 GLU H 1 110 ALA H 5.000 . 5.500 4.739 4.430 4.967 . 0 0 "[ . 1 ]" 3
670 1 108 ALA H 1 109 ASN QD 6.600 . 7.100 3.896 2.701 4.967 . 0 0 "[ . 1 ]" 3
671 1 108 ALA H 1 111 LYS H 5.000 . 5.500 4.747 4.082 5.487 . 0 0 "[ . 1 ]" 3
672 1 108 ALA H 1 112 GLY H 5.800 . 6.300 5.479 4.502 6.140 . 0 0 "[ . 1 ]" 3
673 1 109 ASN H 1 112 GLY H 5.600 . 6.100 4.755 4.341 5.317 . 0 0 "[ . 1 ]" 3
674 1 109 ASN QD 1 110 ALA H 6.600 . 7.100 4.102 3.510 4.486 . 0 0 "[ . 1 ]" 3
675 1 113 GLY H 1 114 LYS H 5.600 . 6.100 4.361 4.203 4.687 . 0 0 "[ . 1 ]" 3
676 1 113 GLY H 1 168 LYS H 5.600 . 6.100 5.741 5.344 6.041 . 0 0 "[ . 1 ]" 3
677 1 113 GLY H 1 199 HIS H 3.800 . 4.300 4.376 4.323 4.458 0.158 10 0 "[ . 1 ]" 3
678 1 114 LYS H 1 115 TRP H 5.600 . 6.100 4.251 4.033 4.442 . 0 0 "[ . 1 ]" 3
679 1 114 LYS H 1 167 THR H 5.600 . 6.100 5.332 4.998 5.670 . 0 0 "[ . 1 ]" 3
680 1 115 TRP H 1 116 SER H 5.600 . 6.100 4.114 3.962 4.265 . 0 0 "[ . 1 ]" 3
681 1 115 TRP H 1 166 TRP H 5.600 . 6.100 4.784 4.481 5.251 . 0 0 "[ . 1 ]" 3
682 1 115 TRP HE1 1 175 LEU H 5.600 . 6.100 5.552 5.328 5.817 . 0 0 "[ . 1 ]" 3
683 1 115 TRP HE1 1 176 LEU H 5.600 . 6.100 3.772 3.588 4.070 . 0 0 "[ . 1 ]" 3
684 1 115 TRP HE1 1 177 ARG H 5.600 . 6.100 4.819 4.575 5.023 . 0 0 "[ . 1 ]" 3
685 1 116 SER H 1 165 LEU H 5.600 . 6.100 4.544 4.192 5.113 . 0 0 "[ . 1 ]" 3
686 1 116 SER H 1 196 PHE H 5.600 . 6.100 4.771 4.519 5.025 . 0 0 "[ . 1 ]" 3
687 1 116 SER H 1 197 PHE H 5.600 . 6.100 4.109 3.724 4.333 . 0 0 "[ . 1 ]" 3
688 1 117 PHE H 1 118 GLN H 5.600 . 6.100 4.020 3.787 4.394 . 0 0 "[ . 1 ]" 3
689 1 117 PHE H 1 164 ALA H 5.600 . 6.100 5.056 4.864 5.283 . 0 0 "[ . 1 ]" 3
690 1 117 PHE H 1 195 GLU H 5.600 . 6.100 4.853 4.595 5.095 . 0 0 "[ . 1 ]" 3
691 1 118 GLN H 1 163 PHE H 5.600 . 6.100 5.264 4.942 5.499 . 0 0 "[ . 1 ]" 3
692 1 118 GLN H 1 195 GLU H 5.600 . 6.100 4.943 4.305 5.477 . 0 0 "[ . 1 ]" 3
693 1 119 LEU H 1 160 GLY H 6.000 2.200 6.500 5.808 4.656 6.533 0.033 6 0 "[ . 1 ]" 3
694 1 119 LEU H 1 161 ASN QD 6.600 . 7.100 5.128 4.549 5.775 . 0 0 "[ . 1 ]" 3
695 1 119 LEU H 1 162 LYS H 5.600 . 6.100 4.964 4.777 5.174 . 0 0 "[ . 1 ]" 3
696 1 119 LEU H 1 163 PHE H 5.600 . 6.100 5.139 4.653 5.964 . 0 0 "[ . 1 ]" 3
697 1 126 ILE H 1 161 ASN QD 6.600 . 7.100 6.153 5.269 6.391 . 0 0 "[ . 1 ]" 3
698 1 128 GLU H 1 130 TRP H 4.600 . 5.100 4.005 3.812 4.378 . 0 0 "[ . 1 ]" 3
699 1 130 TRP H 1 130 TRP HE1 5.900 . 6.400 6.388 5.717 6.830 0.430 9 0 "[ . 1 ]" 3
700 1 130 TRP H 1 131 LEU MD2 7.000 2.200 7.500 6.212 6.071 6.329 . 0 0 "[ . 1 ]" 3
701 1 130 TRP H 1 132 CYS H 5.600 . 6.100 4.369 4.129 4.643 . 0 0 "[ . 1 ]" 3
702 1 130 TRP HE1 1 131 LEU H 5.600 . 6.100 4.943 4.012 6.028 . 0 0 "[ . 1 ]" 3
703 1 132 CYS H 1 134 LEU H 4.600 . 5.100 4.241 4.053 4.336 . 0 0 "[ . 1 ]" 3
704 1 133 THR H 1 135 LEU H 5.600 . 6.100 4.050 3.560 4.381 . 0 0 "[ . 1 ]" 3
705 1 133 THR H 1 136 ALA H 5.600 . 6.100 4.716 4.423 5.060 . 0 0 "[ . 1 ]" 3
706 1 135 LEU H 1 137 VAL H 5.600 . 6.100 4.020 3.640 4.315 . 0 0 "[ . 1 ]" 3
707 1 135 LEU H 1 138 ILE H 5.600 . 6.100 5.011 4.778 5.209 . 0 0 "[ . 1 ]" 3
708 1 138 ILE H 1 140 GLU H 5.600 . 6.100 3.767 3.255 4.233 . 0 0 "[ . 1 ]" 3
709 1 143 ASP H 1 144 GLU H 5.600 . 6.100 3.459 2.112 4.538 . 0 0 "[ . 1 ]" 3
710 1 143 ASP H 1 145 ASP H 5.600 . 6.100 3.607 2.341 4.274 . 0 0 "[ . 1 ]" 3
711 1 144 GLU H 1 145 ASP H 3.800 . 4.300 2.941 1.863 3.761 . 0 0 "[ . 1 ]" 3
712 1 144 GLU H 1 146 ASP H 5.600 . 6.100 4.895 3.463 5.689 . 0 0 "[ . 1 ]" 3
713 1 145 ASP H 1 147 SER H 4.600 . 5.100 3.637 3.212 4.240 . 0 0 "[ . 1 ]" 3
714 1 147 SER H 1 149 ILE H 5.300 . 5.800 4.327 3.577 5.153 . 0 0 "[ . 1 ]" 3
715 1 149 ILE H 1 168 LYS H 5.600 . 6.100 4.270 3.800 5.056 . 0 0 "[ . 1 ]" 3
716 1 150 ASN H 1 152 VAL H 5.700 . 6.200 6.251 6.139 6.337 0.137 1 0 "[ . 1 ]" 3
717 1 150 ASN QD 1 151 GLY H 6.600 . 7.100 2.835 2.287 3.479 . 0 0 "[ . 1 ]" 3
718 1 150 ASN QD 1 152 VAL H 6.600 . 7.100 5.329 4.755 6.386 . 0 0 "[ . 1 ]" 3
719 1 150 ASN QD 1 168 LYS H 6.600 . 7.100 4.416 2.722 5.166 . 0 0 "[ . 1 ]" 3
720 1 151 GLY H 1 152 VAL H 5.600 . 6.100 4.381 4.364 4.393 . 0 0 "[ . 1 ]" 3
721 1 152 VAL H 1 153 VAL H 5.600 . 6.100 4.458 4.378 4.492 . 0 0 "[ . 1 ]" 3
722 1 153 VAL H 1 154 LEU H 5.600 . 6.100 4.412 4.390 4.447 . 0 0 "[ . 1 ]" 3
723 1 153 VAL H 1 166 TRP HE1 5.600 . 6.100 5.470 5.014 5.631 . 0 0 "[ . 1 ]" 3
724 1 155 SER H 1 156 ILE H 4.300 . 4.800 3.746 3.675 3.809 . 0 0 "[ . 1 ]" 3
725 1 155 SER H 1 164 ALA H 5.600 . 6.100 4.329 4.260 4.415 . 0 0 "[ . 1 ]" 3
726 1 156 ILE H 1 157 ARG HE 5.600 . 6.100 4.811 3.759 6.064 . 0 0 "[ . 1 ]" 3
727 1 156 ILE H 1 162 LYS H 5.600 . 6.100 4.323 4.221 4.469 . 0 0 "[ . 1 ]" 3
728 1 157 ARG H 1 160 GLY H 5.600 . 6.100 3.664 2.988 4.660 . 0 0 "[ . 1 ]" 3
729 1 158 LYS H 1 160 GLY H 5.600 . 6.100 4.282 3.302 5.002 . 0 0 "[ . 1 ]" 3
730 1 160 GLY H 1 161 ASN QD 6.600 . 7.100 5.233 4.726 6.056 . 0 0 "[ . 1 ]" 3
731 1 160 GLY H 1 162 LYS H 6.000 2.200 6.500 6.264 5.847 6.460 . 0 0 "[ . 1 ]" 3
732 1 161 ASN QD 1 162 LYS H 6.600 . 7.100 5.092 4.887 5.506 . 0 0 "[ . 1 ]" 3
733 1 162 LYS H 1 163 PHE H 4.800 . 5.300 4.051 3.874 4.310 . 0 0 "[ . 1 ]" 3
734 1 163 PHE H 1 164 ALA H 4.000 . 4.500 4.475 4.286 4.532 0.032 4 0 "[ . 1 ]" 3
735 1 164 ALA H 1 166 TRP HE1 5.600 . 6.100 5.886 5.204 6.171 0.071 8 0 "[ . 1 ]" 3
736 1 165 LEU H 1 166 TRP H 4.000 . 4.500 4.264 3.923 4.522 0.022 10 0 "[ . 1 ]" 3
737 1 165 LEU H 1 166 TRP HE1 5.600 . 6.100 4.633 4.179 5.145 . 0 0 "[ . 1 ]" 3
738 1 166 TRP H 1 167 THR H 4.200 . 4.700 4.411 4.210 4.511 . 0 0 "[ . 1 ]" 3
739 1 167 THR H 1 168 LYS H 3.800 2.200 4.300 4.320 4.210 4.394 0.094 4 0 "[ . 1 ]" 3
740 1 167 THR H 1 169 CYS H 5.600 . 6.100 4.928 4.748 5.167 . 0 0 "[ . 1 ]" 3
741 1 171 ASP H 1 173 GLU H 5.600 . 6.100 5.463 4.770 5.730 . 0 0 "[ . 1 ]" 3
742 1 172 LYS H 1 175 LEU H 5.600 . 6.100 4.753 3.849 5.066 . 0 0 "[ . 1 ]" 3
743 1 176 LEU H 1 178 ILE H 5.600 . 6.100 4.415 4.103 4.566 . 0 0 "[ . 1 ]" 3
744 1 177 ARG H 1 179 GLY H 4.600 . 5.100 4.034 3.724 4.146 . 0 0 "[ . 1 ]" 3
745 1 182 PHE H 1 185 VAL H 5.600 . 6.100 4.983 4.881 5.109 . 0 0 "[ . 1 ]" 3
746 1 184 GLN H 1 187 LYS H 5.600 . 6.100 5.186 5.085 5.312 . 0 0 "[ . 1 ]" 3
747 1 184 GLN H 1 188 LEU H 5.600 . 6.100 5.423 4.947 5.898 . 0 0 "[ . 1 ]" 3
748 1 184 GLN QE 1 189 THR H 6.600 . 7.100 5.966 4.828 6.204 . 0 0 "[ . 1 ]" 3
749 1 185 VAL H 1 188 LEU H 5.600 . 6.100 5.435 5.150 5.853 . 0 0 "[ . 1 ]" 3
750 1 187 LYS H 1 189 THR H 6.400 . 6.900 6.521 4.158 6.985 0.085 3 0 "[ . 1 ]" 3
751 1 188 LEU H 1 189 THR H 4.500 . 5.000 4.044 2.387 4.506 . 0 0 "[ . 1 ]" 3
752 1 193 HIS H 1 213 LEU H 5.600 . 6.100 4.890 3.928 6.202 0.102 5 0 "[ . 1 ]" 3
753 1 195 GLU H 1 213 LEU H 5.600 . 6.100 4.457 4.195 4.718 . 0 0 "[ . 1 ]" 3
754 1 196 PHE H 1 197 PHE H 4.700 . 5.200 4.231 3.836 4.480 . 0 0 "[ . 1 ]" 3
755 1 196 PHE H 1 213 LEU H 4.500 . 5.000 4.744 4.574 5.004 0.004 6 0 "[ . 1 ]" 3
756 1 197 PHE H 1 210 SER H 5.600 . 6.100 5.193 4.721 5.879 . 0 0 "[ . 1 ]" 3
757 1 197 PHE H 1 211 ILE H 4.700 . 5.200 5.270 5.208 5.364 0.164 8 0 "[ . 1 ]" 3
758 1 199 HIS H 1 201 SER H 5.600 . 6.100 4.429 4.167 4.936 . 0 0 "[ . 1 ]" 3
759 1 199 HIS H 1 202 ALA H 5.600 . 6.100 4.745 4.285 5.602 . 0 0 "[ . 1 ]" 3
760 1 200 CYS H 1 202 ALA H 4.800 . 5.300 4.077 3.724 5.051 . 0 0 "[ . 1 ]" 3
761 1 201 SER H 1 204 GLY H 6.500 2.200 7.000 5.223 4.137 6.182 . 0 0 "[ . 1 ]" 3
762 1 210 SER H 1 212 THR H 5.600 2.200 6.100 6.096 5.981 6.194 0.094 10 0 "[ . 1 ]" 3
763 1 211 ILE H 1 212 THR H 4.600 . 5.100 4.378 4.324 4.504 . 0 0 "[ . 1 ]" 3
764 1 211 ILE H 1 213 LEU H 5.600 . 6.100 6.224 6.155 6.369 0.269 11 0 "[ . 1 ]" 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 4
_Distance_constraint_stats_list.Viol_count 3
_Distance_constraint_stats_list.Viol_total 1.034
_Distance_constraint_stats_list.Viol_max 0.050
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0313
_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 46 TRP 0.094 0.050 3 0 "[ . 1 ]"
1 104 TRP 0.094 0.050 3 0 "[ . 1 ]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 166 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 202 ALA 0.000 0.000 . 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 1 104 TRP QB 1 105 GLU H 5.000 . 5.500 3.306 2.605 3.580 . 0 0 "[ . 1 ]" 4
2 1 104 TRP HE1 1 202 ALA MB 5.000 . 5.500 3.627 1.855 4.274 . 0 0 "[ . 1 ]" 4
3 1 104 TRP H 1 166 TRP HH2 5.500 . 6.000 2.467 2.157 2.933 . 0 0 "[ . 1 ]" 4
4 1 46 TRP HZ3 1 104 TRP H 5.500 . 6.000 4.255 2.603 6.050 0.050 3 0 "[ . 1 ]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 123
_Distance_constraint_stats_list.Viol_count 99
_Distance_constraint_stats_list.Viol_total 159.882
_Distance_constraint_stats_list.Viol_max 0.453
_Distance_constraint_stats_list.Viol_rms 0.0479
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.1468
_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 24 LYS 0.022 0.011 10 0 "[ . 1 ]"
1 25 THR 0.000 0.000 . 0 "[ . 1 ]"
1 26 VAL 1.302 0.222 7 0 "[ . 1 ]"
1 27 LEU 0.685 0.119 4 0 "[ . 1 ]"
1 32 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 33 PHE 0.813 0.134 5 0 "[ . 1 ]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 35 VAL 2.436 0.298 9 0 "[ . 1 ]"
1 36 LYS 0.022 0.022 11 0 "[ . 1 ]"
1 37 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 39 LEU 0.067 0.067 2 0 "[ . 1 ]"
1 40 ASN 0.907 0.193 6 0 "[ . 1 ]"
1 41 THR 0.000 0.000 . 0 "[ . 1 ]"
1 66 THR 0.000 0.000 . 0 "[ . 1 ]"
1 67 SER 0.000 0.000 . 0 "[ . 1 ]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 71 VAL 2.458 0.316 7 0 "[ . 1 ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 75 TRP 0.024 0.024 6 0 "[ . 1 ]"
1 76 ALA 3.758 0.453 1 0 "[ . 1 ]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 135 LEU 1.998 0.305 8 0 "[ . 1 ]"
1 138 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 139 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 141 THR 0.000 0.000 . 0 "[ . 1 ]"
1 142 ILE 0.044 0.044 8 0 "[ . 1 ]"
1 145 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 26 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 29 VAL 0.813 0.134 5 0 "[ . 1 ]"
2 30 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 33 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 34 THR 0.022 0.011 10 0 "[ . 1 ]"
2 35 PRO 0.022 0.022 11 0 "[ . 1 ]"
2 36 ILE 2.436 0.298 9 0 "[ . 1 ]"
2 39 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 42 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 44 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 48 ILE 0.309 0.119 4 0 "[ . 1 ]"
2 57 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 59 HIS 0.000 0.000 . 0 "[ . 1 ]"
2 62 TYR 0.907 0.193 6 0 "[ . 1 ]"
2 63 THR 0.044 0.044 8 0 "[ . 1 ]"
2 64 TYR 0.067 0.067 2 0 "[ . 1 ]"
2 66 PRO 0.169 0.088 7 0 "[ . 1 ]"
2 67 THR 0.000 0.000 . 0 "[ . 1 ]"
2 68 PHE 0.297 0.117 7 0 "[ . 1 ]"
2 69 LEU 4.311 0.316 7 0 "[ . 1 ]"
2 70 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 72 PHE 0.080 0.049 3 0 "[ . 1 ]"
2 75 LYS 1.302 0.222 7 0 "[ . 1 ]"
2 76 LEU 3.758 0.453 1 0 "[ . 1 ]"
2 78 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 80 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 84 TRP 0.000 0.000 . 0 "[ . 1 ]"
2 88 THR 0.000 0.000 . 0 "[ . 1 ]"
2 91 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 93 VAL 0.000 0.000 . 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 26 VAL QG 2 72 PHE QE 4.000 . 5.000 2.539 2.278 3.115 . 0 0 "[ . 1 ]" 5
2 1 26 VAL QG 2 72 PHE QD 4.000 . 5.000 2.828 2.305 3.287 . 0 0 "[ . 1 ]" 5
3 1 26 VAL QG 2 72 PHE HZ 5.000 . 6.000 2.788 2.252 3.522 . 0 0 "[ . 1 ]" 5
4 1 26 VAL QG 2 76 LEU HA 4.000 . 4.500 3.357 3.188 3.399 . 0 0 "[ . 1 ]" 5
5 1 26 VAL QG 2 75 LYS QB 5.000 . 6.000 1.682 1.578 1.760 0.222 7 0 "[ . 1 ]" 5
6 1 26 VAL QG 2 75 LYS HA 5.000 . 5.500 3.890 3.562 4.053 . 0 0 "[ . 1 ]" 5
7 1 27 LEU QD 2 42 PHE QD 6.000 . 7.000 4.291 3.537 4.643 . 0 0 "[ . 1 ]" 5
8 1 27 LEU QD 2 42 PHE QE 6.000 . 7.000 3.486 2.809 4.015 . 0 0 "[ . 1 ]" 5
9 1 27 LEU QD 2 44 TYR QE 4.000 . 5.000 2.968 2.624 3.331 . 0 0 "[ . 1 ]" 5
10 1 27 LEU QD 2 44 TYR QD 4.000 . 5.000 2.332 1.932 2.926 . 0 0 "[ . 1 ]" 5
11 1 27 LEU QD 2 44 TYR HA 5.000 . 6.000 4.334 3.921 4.478 . 0 0 "[ . 1 ]" 5
12 1 27 LEU QD 2 48 ILE MD . . 4.500 2.033 1.681 2.531 0.119 4 0 "[ . 1 ]" 5
13 1 27 LEU QD 2 68 PHE QE 5.000 . 6.000 1.972 1.683 2.537 0.117 7 0 "[ . 1 ]" 5
14 1 27 LEU QD 2 72 PHE HZ 5.000 . 6.000 4.143 3.834 4.468 . 0 0 "[ . 1 ]" 5
15 1 27 LEU QD 2 72 PHE QE 5.000 . 6.000 2.312 1.997 2.666 . 0 0 "[ . 1 ]" 5
16 1 27 LEU QD 2 72 PHE QD 5.000 . 6.000 1.898 1.751 2.063 0.049 3 0 "[ . 1 ]" 5
17 1 27 LEU QD 2 72 PHE HA 5.000 . 5.500 2.767 2.284 2.920 . 0 0 "[ . 1 ]" 5
18 1 27 LEU QD 2 72 PHE QB 5.000 . 5.500 3.582 3.325 3.653 . 0 0 "[ . 1 ]" 5
19 1 35 VAL QG 2 36 ILE MD 5.000 . 6.000 1.579 1.502 1.691 0.298 9 0 "[ . 1 ]" 5
20 1 35 VAL QG 2 36 ILE HA 5.000 . 5.500 2.356 2.150 2.606 . 0 0 "[ . 1 ]" 5
21 1 35 VAL QG 2 42 PHE QD 5.000 . 6.000 3.365 2.952 3.592 . 0 0 "[ . 1 ]" 5
22 1 35 VAL QG 2 42 PHE QE 4.000 . 5.000 3.325 3.174 3.427 . 0 0 "[ . 1 ]" 5
23 1 35 VAL QG 2 42 PHE HZ 4.000 . 5.000 3.767 3.728 3.863 . 0 0 "[ . 1 ]" 5
24 1 39 LEU QD 2 42 PHE HZ 6.000 . 7.000 5.328 5.286 5.381 . 0 0 "[ . 1 ]" 5
25 1 39 LEU QD 2 62 TYR QD 5.000 . 6.000 3.404 1.876 4.049 . 0 0 "[ . 1 ]" 5
26 1 39 LEU QD 2 64 TYR QD 5.000 . 6.000 2.951 2.405 3.976 . 0 0 "[ . 1 ]" 5
27 1 39 LEU QD 2 64 TYR QE 5.000 . 6.000 2.152 1.733 2.571 0.067 2 0 "[ . 1 ]" 5
28 1 71 VAL QG 2 72 PHE HZ 5.000 . 6.000 3.419 2.647 4.129 . 0 0 "[ . 1 ]" 5
29 1 71 VAL QG 2 72 PHE QE 5.000 . 6.000 2.532 2.037 3.204 . 0 0 "[ . 1 ]" 5
30 1 71 VAL QG 2 72 PHE QD 4.000 . 5.000 2.512 2.055 3.335 . 0 0 "[ . 1 ]" 5
31 1 71 VAL QG 2 68 PHE QE 5.000 . 6.000 3.266 2.716 3.725 . 0 0 "[ . 1 ]" 5
32 1 71 VAL QG 2 68 PHE QD 6.000 . 7.000 4.226 3.821 4.539 . 0 0 "[ . 1 ]" 5
33 1 71 VAL QG 2 69 LEU MD1 5.000 . 6.000 3.049 2.516 3.710 . 0 0 "[ . 1 ]" 5
34 1 71 VAL QG 2 69 LEU HA 5.000 . 6.000 3.352 3.049 3.698 . 0 0 "[ . 1 ]" 5
35 1 135 LEU QD 2 69 LEU MD1 5.000 . 6.000 1.634 1.495 1.750 0.305 8 0 "[ . 1 ]" 5
36 1 135 LEU QD 2 69 LEU MD2 6.000 . 7.000 2.847 2.154 3.364 . 0 0 "[ . 1 ]" 5
37 1 135 LEU QD 2 70 LEU HA 5.000 . 6.000 3.913 3.075 4.472 . 0 0 "[ . 1 ]" 5
38 1 135 LEU QD 2 67 THR MG 6.500 2.300 7.500 4.688 4.664 4.734 . 0 0 "[ . 1 ]" 5
39 1 135 LEU QD 2 66 PRO QB 6.000 . 7.000 2.368 1.712 3.399 0.088 7 0 "[ . 1 ]" 5
40 1 142 ILE MD 2 59 HIS HD2 5.000 . 5.500 4.571 4.464 4.620 . 0 0 "[ . 1 ]" 5
41 1 142 ILE MD 2 62 TYR QD 4.000 . 5.000 3.258 2.380 3.728 . 0 0 "[ . 1 ]" 5
42 1 142 ILE MD 2 62 TYR QE 6.000 . 7.000 4.047 1.921 5.219 . 0 0 "[ . 1 ]" 5
43 1 142 ILE MD 2 63 THR MG 5.000 . 5.500 2.877 1.756 3.825 0.044 8 0 "[ . 1 ]" 5
44 1 33 PHE QD 2 26 ILE MD 5.000 . 5.500 4.051 3.833 4.093 . 0 0 "[ . 1 ]" 5
45 1 33 PHE QE 2 26 ILE MD 5.000 . 5.500 2.630 1.985 3.410 . 0 0 "[ . 1 ]" 5
46 1 33 PHE HZ 2 26 ILE MD 5.000 . 5.500 3.111 2.047 3.799 . 0 0 "[ . 1 ]" 5
47 1 33 PHE QD 2 29 VAL MG1 5.000 . 5.500 3.151 1.849 4.153 . 0 0 "[ . 1 ]" 5
48 1 33 PHE QE 2 29 VAL MG1 5.000 . 5.500 3.225 2.466 4.072 . 0 0 "[ . 1 ]" 5
49 1 33 PHE HZ 2 29 VAL MG1 5.000 . 5.500 4.601 4.477 4.643 . 0 0 "[ . 1 ]" 5
50 1 33 PHE QD 2 29 VAL MG2 5.000 . 5.500 2.768 1.690 3.599 0.110 5 0 "[ . 1 ]" 5
51 1 32 HIS HD2 2 29 VAL MG1 6.000 . 6.500 4.838 3.513 5.365 . 0 0 "[ . 1 ]" 5
52 1 32 HIS HE1 2 29 VAL MG1 6.000 . 6.500 4.048 2.126 4.863 . 0 0 "[ . 1 ]" 5
53 1 32 HIS HE1 2 29 VAL MG2 5.000 . 5.500 4.418 3.660 4.608 . 0 0 "[ . 1 ]" 5
54 1 33 PHE QD 2 30 LEU MD2 5.000 . 5.500 2.698 1.843 3.964 . 0 0 "[ . 1 ]" 5
55 1 33 PHE QE 2 30 LEU MD2 6.000 . 6.500 3.856 3.379 4.195 . 0 0 "[ . 1 ]" 5
56 1 33 PHE HZ 2 30 LEU MD2 6.000 . 6.500 5.275 4.847 5.423 . 0 0 "[ . 1 ]" 5
57 1 37 HIS HD2 2 36 ILE MD 5.000 . 5.500 4.000 3.166 4.605 . 0 0 "[ . 1 ]" 5
58 1 37 HIS HE1 2 36 ILE MD 4.000 . 4.500 3.734 3.333 3.824 . 0 0 "[ . 1 ]" 5
59 1 37 HIS HD2 2 39 VAL MG1 3.500 . 4.000 2.457 2.242 2.630 . 0 0 "[ . 1 ]" 5
60 1 37 HIS HD2 2 39 VAL MG2 5.000 . 5.500 4.599 4.470 4.674 . 0 0 "[ . 1 ]" 5
61 1 138 ILE MD 2 69 LEU MD1 5.000 . 5.500 3.808 3.535 3.887 . 0 0 "[ . 1 ]" 5
62 1 138 ILE MD 2 69 LEU MD2 5.000 . 5.500 3.803 3.723 3.863 . 0 0 "[ . 1 ]" 5
63 1 71 VAL QG 2 69 LEU MD2 4.000 . 4.500 1.577 1.484 1.645 0.316 7 0 "[ . 1 ]" 5
64 1 75 TRP HD1 2 69 LEU MD2 5.000 . 5.500 3.116 2.534 3.748 . 0 0 "[ . 1 ]" 5
65 1 75 TRP HZ2 2 69 LEU MD2 5.000 . 5.500 3.821 3.263 4.491 . 0 0 "[ . 1 ]" 5
66 1 75 TRP HZ2 2 70 LEU MD1 . . 4.500 2.893 2.513 3.702 . 0 0 "[ . 1 ]" 5
67 1 75 TRP HH2 2 70 LEU MD1 . . 4.500 2.719 1.884 3.648 . 0 0 "[ . 1 ]" 5
68 1 33 PHE QD 2 76 LEU MD2 5.000 . 5.500 4.120 4.090 4.144 . 0 0 "[ . 1 ]" 5
69 1 33 PHE QE 2 76 LEU MD2 5.000 . 5.500 3.340 2.956 3.981 . 0 0 "[ . 1 ]" 5
70 1 24 LYS H 2 36 ILE MD 6.000 . 6.500 5.421 5.364 5.450 . 0 0 "[ . 1 ]" 5
71 1 24 LYS H 2 34 THR H 5.000 . 5.500 5.342 4.926 5.511 0.011 10 0 "[ . 1 ]" 5
72 1 25 THR H 2 42 PHE QE 5.000 . 6.000 5.206 4.556 5.390 . 0 0 "[ . 1 ]" 5
73 1 27 LEU H 2 48 ILE MD 5.000 . 5.500 4.602 4.581 4.650 . 0 0 "[ . 1 ]" 5
74 1 32 HIS H 2 29 VAL MG1 5.000 . 5.500 3.843 3.085 4.612 . 0 0 "[ . 1 ]" 5
75 1 32 HIS H 2 29 VAL MG2 5.000 . 5.500 4.170 3.736 4.607 . 0 0 "[ . 1 ]" 5
76 1 33 PHE H 2 29 VAL MG1 4.000 . 4.500 2.759 1.711 3.811 0.089 9 0 "[ . 1 ]" 5
77 1 33 PHE H 2 29 VAL MG2 5.000 . 5.500 2.571 1.722 4.416 0.078 8 0 "[ . 1 ]" 5
78 1 33 PHE H 2 29 VAL HB 5.000 . 5.500 3.364 2.689 4.003 . 0 0 "[ . 1 ]" 5
79 1 33 PHE H 2 29 VAL HA 5.000 . 5.500 5.162 4.667 5.634 0.134 5 0 "[ . 1 ]" 5
80 1 34 ASP H 2 33 ALA MB 5.000 . 5.500 3.916 3.440 4.137 . 0 0 "[ . 1 ]" 5
81 1 35 VAL H 2 33 ALA MB 5.000 . 5.500 3.038 2.083 3.625 . 0 0 "[ . 1 ]" 5
82 1 36 LYS H 2 33 ALA MB 5.000 . 5.500 4.196 3.138 4.618 . 0 0 "[ . 1 ]" 5
83 1 36 LYS H 2 35 PRO HA 5.000 . 5.500 4.012 3.379 5.522 0.022 11 0 "[ . 1 ]" 5
84 1 36 LYS H 2 35 PRO QB 5.000 . 5.500 5.051 4.999 5.114 . 0 0 "[ . 1 ]" 5
85 1 36 LYS H 2 36 ILE MD 5.000 . 5.500 3.312 2.452 3.580 . 0 0 "[ . 1 ]" 5
86 1 36 LYS H 2 36 ILE MG 5.000 . 5.500 3.688 3.055 4.235 . 0 0 "[ . 1 ]" 5
87 1 36 LYS H 2 36 ILE HB 5.000 . 5.500 2.730 2.261 3.084 . 0 0 "[ . 1 ]" 5
88 1 36 LYS H 2 36 ILE HA 5.000 . 5.500 4.499 4.293 5.094 . 0 0 "[ . 1 ]" 5
89 1 37 HIS H 2 91 LYS QG 5.000 . 5.500 3.726 3.150 4.301 . 0 0 "[ . 1 ]" 5
90 1 40 ASN H 2 62 TYR H 5.000 . 5.500 5.537 5.419 5.693 0.193 6 0 "[ . 1 ]" 5
91 1 40 ASN H 2 62 TYR QB 5.000 . 5.500 2.650 2.022 3.296 . 0 0 "[ . 1 ]" 5
92 1 40 ASN H 2 62 TYR HA 5.000 . 5.500 5.200 4.314 5.628 0.128 3 0 "[ . 1 ]" 5
93 1 41 THR H 2 62 TYR QB 5.000 . 5.500 4.340 3.580 4.833 . 0 0 "[ . 1 ]" 5
94 1 66 THR H 2 88 THR MG 5.000 . 5.500 4.549 3.889 4.703 . 0 0 "[ . 1 ]" 5
95 1 67 SER H 2 88 THR MG 5.000 . 5.500 4.545 4.141 4.679 . 0 0 "[ . 1 ]" 5
96 1 69 GLN H 2 93 VAL QG 5.000 . 5.500 3.890 3.125 4.152 . 0 0 "[ . 1 ]" 5
97 1 71 VAL H 2 91 LYS QG 5.000 . 5.500 4.396 4.169 4.946 . 0 0 "[ . 1 ]" 5
98 1 72 GLU H 2 91 LYS QG 5.000 . 5.500 4.906 4.636 4.994 . 0 0 "[ . 1 ]" 5
99 1 72 GLU H 2 91 LYS QD 5.000 . 5.500 4.688 4.165 4.936 . 0 0 "[ . 1 ]" 5
100 1 73 GLU H 2 91 LYS QD 4.000 . 4.500 3.698 3.281 4.032 . 0 0 "[ . 1 ]" 5
101 1 73 GLU H 2 72 PHE QE 5.000 . 5.500 4.927 4.775 4.991 . 0 0 "[ . 1 ]" 5
102 1 73 GLU H 2 84 TRP HZ2 5.000 . 5.500 4.339 3.326 5.497 . 0 0 "[ . 1 ]" 5
103 1 75 TRP HE1 2 68 PHE QD 6.000 . 6.500 5.006 4.626 5.717 . 0 0 "[ . 1 ]" 5
104 1 75 TRP HE1 2 69 LEU MD1 5.000 . 5.500 4.015 3.816 4.302 . 0 0 "[ . 1 ]" 5
105 1 75 TRP HE1 2 69 LEU MD2 5.000 . 5.500 2.125 1.776 2.630 0.024 6 0 "[ . 1 ]" 5
106 1 75 TRP HE1 2 69 LEU HA 5.000 . 5.500 2.448 2.189 2.734 . 0 0 "[ . 1 ]" 5
107 1 75 TRP HE1 2 72 PHE QD 5.000 . 5.500 3.978 3.763 4.365 . 0 0 "[ . 1 ]" 5
108 1 75 TRP HE1 2 72 PHE QB 5.000 . 5.500 2.391 2.225 2.557 . 0 0 "[ . 1 ]" 5
109 1 76 ALA H 2 76 LEU MD1 5.000 . 5.500 2.090 1.840 2.206 . 0 0 "[ . 1 ]" 5
110 1 76 ALA H 2 76 LEU MD2 5.000 . 5.500 4.631 4.482 4.674 . 0 0 "[ . 1 ]" 5
111 1 76 ALA H 2 78 VAL MG2 5.000 . 5.500 4.575 4.363 4.663 . 0 0 "[ . 1 ]" 5
112 1 76 ALA H 2 76 LEU HA 5.000 . 5.500 5.842 5.750 5.953 0.453 1 0 "[ . 1 ]" 5
113 1 76 ALA H 2 80 ALA MB 5.000 . 5.500 4.706 4.630 4.782 . 0 0 "[ . 1 ]" 5
114 1 139 GLY H 2 69 LEU MD1 5.000 . 5.500 3.878 3.541 4.390 . 0 0 "[ . 1 ]" 5
115 1 141 THR H 2 63 THR MG 5.000 . 5.500 4.606 4.489 4.652 . 0 0 "[ . 1 ]" 5
116 1 145 ASP H 2 57 LYS QB 4.000 . 4.500 4.080 3.983 4.222 . 0 0 "[ . 1 ]" 5
117 1 139 GLY QA 2 64 TYR H 5.000 . 5.500 4.162 2.511 4.916 . 0 0 "[ . 1 ]" 5
118 1 76 ALA MB 2 78 VAL H 5.000 . 5.500 4.224 3.755 4.602 . 0 0 "[ . 1 ]" 5
119 1 76 ALA HA 2 78 VAL H 5.000 . 5.500 3.750 3.337 4.949 . 0 0 "[ . 1 ]" 5
120 1 35 VAL QG 2 34 THR H 4.000 . 4.500 3.383 3.342 3.423 . 0 0 "[ . 1 ]" 5
121 1 35 VAL QG 2 36 ILE H 5.000 . 5.500 3.810 3.520 4.092 . 0 0 "[ . 1 ]" 5
122 1 77 ILE MD 2 84 TRP HE1 5.000 . 5.500 4.541 4.029 4.707 . 0 0 "[ . 1 ]" 5
123 1 38 PRO QB 2 93 VAL H 5.000 . 5.500 4.329 3.756 4.797 . 0 0 "[ . 1 ]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 94
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 30.638
_Distance_constraint_stats_list.Viol_max 0.168
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0497
_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 24 LYS 0.084 0.038 2 0 "[ . 1 ]"
1 25 THR 0.000 0.000 . 0 "[ . 1 ]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 27 LEU 0.083 0.050 7 0 "[ . 1 ]"
1 28 SER 0.000 0.000 . 0 "[ . 1 ]"
1 29 ASP 0.083 0.050 7 0 "[ . 1 ]"
1 30 SER 0.234 0.076 5 0 "[ . 1 ]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 32 HIS 0.349 0.076 5 0 "[ . 1 ]"
1 33 PHE 0.115 0.062 3 0 "[ . 1 ]"
1 34 ASP 0.060 0.038 2 0 "[ . 1 ]"
1 35 VAL 0.024 0.024 1 0 "[ . 1 ]"
1 37 HIS 0.559 0.124 11 0 "[ . 1 ]"
1 43 TRP 0.043 0.043 11 0 "[ . 1 ]"
1 44 THR 0.000 0.000 . 0 "[ . 1 ]"
1 45 LEU 0.043 0.043 11 0 "[ . 1 ]"
1 46 TRP 0.049 0.049 3 0 "[ . 1 ]"
1 47 TYR 1.067 0.168 5 0 "[ . 1 ]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 55 SER 0.000 0.000 . 0 "[ . 1 ]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 58 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 59 SER 0.000 0.000 . 0 "[ . 1 ]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 61 LEU 0.035 0.035 2 0 "[ . 1 ]"
1 62 LEU 0.995 0.168 5 0 "[ . 1 ]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 65 VAL 0.107 0.096 11 0 "[ . 1 ]"
1 71 VAL 0.493 0.124 11 0 "[ . 1 ]"
1 72 GLU 0.066 0.066 9 0 "[ . 1 ]"
1 75 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 93 TYR 0.079 0.041 7 0 "[ . 1 ]"
1 96 PHE 0.354 0.120 6 0 "[ . 1 ]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 100 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 101 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 104 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 106 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 114 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 115 TRP 0.084 0.034 1 0 "[ . 1 ]"
1 117 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 130 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 131 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 134 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 143 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 144 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 147 SER 0.000 0.000 . 0 "[ . 1 ]"
1 150 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 153 VAL 0.354 0.120 6 0 "[ . 1 ]"
1 154 LEU 0.079 0.041 7 0 "[ . 1 ]"
1 163 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 164 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 165 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 166 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 172 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 176 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 177 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 179 GLY 0.006 0.005 5 0 "[ . 1 ]"
1 180 GLY 0.077 0.034 1 0 "[ . 1 ]"
1 182 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 196 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 197 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 199 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 203 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 204 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 205 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 210 SER 0.000 0.000 . 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 24 LYS H 1 34 ASP H 3.500 . 4.000 3.453 2.568 4.038 0.038 2 0 "[ . 1 ]" 6
2 1 24 LYS H 1 35 VAL H 5.000 . 5.500 3.738 2.937 4.344 . 0 0 "[ . 1 ]" 6
3 1 37 HIS H 1 71 VAL H 5.000 . 5.500 5.370 4.741 5.624 0.124 11 0 "[ . 1 ]" 6
4 1 37 HIS H 1 72 GLU H 5.000 . 5.500 5.119 4.662 5.566 0.066 9 0 "[ . 1 ]" 6
5 1 24 LYS H 1 35 VAL QG 4.000 . 4.500 2.264 1.776 3.204 0.024 1 0 "[ . 1 ]" 6
6 1 24 LYS QB 1 34 ASP H 4.000 . 4.500 2.218 1.802 3.201 . 0 0 "[ . 1 ]" 6
7 1 24 LYS H 1 25 THR H 5.000 . 5.500 3.918 3.622 4.208 . 0 0 "[ . 1 ]" 6
8 1 25 THR H 1 25 THR HG1 2.500 . 3.000 2.248 1.967 2.756 . 0 0 "[ . 1 ]" 6
9 1 25 THR H 1 29 ASP H 4.000 . 4.500 4.058 3.383 4.458 . 0 0 "[ . 1 ]" 6
10 1 25 THR H 1 28 SER H 4.000 . 4.500 3.877 3.563 4.349 . 0 0 "[ . 1 ]" 6
11 1 25 THR H 1 27 LEU H 5.000 . 5.500 4.366 4.122 4.732 . 0 0 "[ . 1 ]" 6
12 1 25 THR HG1 1 27 LEU H 4.000 . 4.500 3.277 1.938 4.404 . 0 0 "[ . 1 ]" 6
13 1 25 THR H 1 26 VAL H 5.000 . 5.500 4.545 4.355 4.610 . 0 0 "[ . 1 ]" 6
14 1 26 VAL H 1 28 SER H 6.000 . 6.500 4.996 4.524 5.445 . 0 0 "[ . 1 ]" 6
15 1 27 LEU H 1 28 SER H 3.000 . 3.500 2.770 2.410 3.214 . 0 0 "[ . 1 ]" 6
16 1 27 LEU H 1 29 ASP H 3.000 . 3.500 3.395 3.216 3.550 0.050 7 0 "[ . 1 ]" 6
17 1 28 SER H 1 29 ASP H 3.000 . 3.500 2.413 2.286 2.591 . 0 0 "[ . 1 ]" 6
18 1 29 ASP H 1 30 SER H 5.000 . 5.500 3.115 2.592 3.619 . 0 0 "[ . 1 ]" 6
19 1 30 SER H 1 31 ALA H 2.500 . 3.000 2.688 2.317 2.966 . 0 0 "[ . 1 ]" 6
20 1 30 SER H 1 32 HIS H 3.500 . 4.000 3.932 3.434 4.076 0.076 5 0 "[ . 1 ]" 6
21 1 31 ALA H 1 32 HIS H 2.500 . 3.000 2.281 1.876 2.495 . 0 0 "[ . 1 ]" 6
22 1 34 ASP H 1 35 VAL H 2.500 . 3.000 2.475 2.238 2.751 . 0 0 "[ . 1 ]" 6
23 1 31 ALA MB 1 32 HIS H 4.000 . 4.500 3.691 3.630 3.718 . 0 0 "[ . 1 ]" 6
24 1 32 HIS H 1 33 PHE H 4.000 . 4.500 3.291 2.496 3.882 . 0 0 "[ . 1 ]" 6
25 1 32 HIS H 1 33 PHE QD 3.500 . 4.000 3.318 2.183 4.062 0.062 3 0 "[ . 1 ]" 6
26 1 33 PHE H 1 33 PHE QD 2.500 . 3.000 2.113 1.841 2.413 . 0 0 "[ . 1 ]" 6
27 1 71 VAL QG 1 75 TRP HE1 5.000 . 5.500 2.584 1.805 3.410 . 0 0 "[ . 1 ]" 6
28 1 47 TYR QD 1 77 ILE QG 5.000 . 5.500 3.397 2.997 4.445 . 0 0 "[ . 1 ]" 6
29 1 47 TYR QD 1 77 ILE MG 5.000 . 5.500 2.960 2.522 4.133 . 0 0 "[ . 1 ]" 6
30 1 47 TYR QD 1 65 VAL MG1 5.000 . 5.500 3.664 3.478 4.042 . 0 0 "[ . 1 ]" 6
31 1 47 TYR QD 1 65 VAL MG2 5.000 . 5.500 2.281 1.704 2.898 0.096 11 0 "[ . 1 ]" 6
32 1 47 TYR QE 1 63 ARG H 4.500 . 5.000 4.040 2.993 4.864 . 0 0 "[ . 1 ]" 6
33 1 47 TYR QE 1 64 PRO HA 5.500 . 6.000 5.357 4.325 5.761 . 0 0 "[ . 1 ]" 6
34 1 47 TYR QE 1 77 ILE QG 5.000 . 5.500 3.230 2.648 4.514 . 0 0 "[ . 1 ]" 6
35 1 47 TYR QE 1 65 VAL MG1 5.000 . 5.500 2.097 1.789 2.851 0.011 1 0 "[ . 1 ]" 6
36 1 93 TYR QD 1 154 LEU HG 5.000 . 5.500 4.238 3.785 4.724 . 0 0 "[ . 1 ]" 6
37 1 93 TYR QD 1 154 LEU MD1 5.000 . 5.500 2.119 1.759 3.592 0.041 7 0 "[ . 1 ]" 6
38 1 96 PHE QE 1 153 VAL QG 5.000 . 5.500 1.885 1.680 2.384 0.120 6 0 "[ . 1 ]" 6
39 1 46 TRP HZ2 1 96 PHE QE 5.000 . 5.500 2.593 1.943 3.351 . 0 0 "[ . 1 ]" 6
40 1 117 PHE QE 1 163 PHE H 5.000 . 5.500 4.432 3.914 4.767 . 0 0 "[ . 1 ]" 6
41 1 117 PHE QE 1 164 ALA HA 5.500 . 6.000 3.808 3.146 4.278 . 0 0 "[ . 1 ]" 6
42 1 117 PHE QE 1 134 LEU QD 5.500 . 6.000 3.546 3.088 3.873 . 0 0 "[ . 1 ]" 6
43 1 134 LEU QD 1 182 PHE QD 5.500 . 6.000 3.436 2.493 3.934 . 0 0 "[ . 1 ]" 6
44 1 153 VAL MG2 1 166 TRP HE1 5.000 . 5.500 3.513 2.711 3.950 . 0 0 "[ . 1 ]" 6
45 1 153 VAL HB 1 166 TRP HE1 4.000 . 4.500 3.876 3.796 3.975 . 0 0 "[ . 1 ]" 6
46 1 96 PHE HD1 1 100 VAL H 8.000 . 8.500 6.275 4.793 7.104 . 0 0 "[ . 1 ]" 6
47 1 96 PHE QB 1 100 VAL H 6.000 . 6.500 4.534 3.903 4.934 . 0 0 "[ . 1 ]" 6
48 1 101 ARG H 1 166 TRP HZ3 7.000 . 7.500 5.932 5.483 6.386 . 0 0 "[ . 1 ]" 6
49 1 101 ARG H 1 166 TRP HE3 7.000 . 7.500 6.122 5.760 6.886 . 0 0 "[ . 1 ]" 6
50 1 108 ALA H 1 150 ASN QD 6.000 . 6.500 5.117 4.821 5.625 . 0 0 "[ . 1 ]" 6
51 1 104 TRP H 1 166 TRP HZ2 7.000 . 7.500 3.490 3.138 3.917 . 0 0 "[ . 1 ]" 6
52 1 107 GLU QB 1 166 TRP H 7.000 . 7.500 6.696 6.520 6.815 . 0 0 "[ . 1 ]" 6
53 1 144 GLU H 1 147 SER H 6.000 . 6.500 4.239 2.585 5.420 . 0 0 "[ . 1 ]" 6
54 1 143 ASP H 1 147 SER H 7.000 . 7.500 4.668 3.770 5.771 . 0 0 "[ . 1 ]" 6
55 1 43 TRP H 1 43 TRP HD1 5.500 . 6.000 3.129 2.611 3.893 . 0 0 "[ . 1 ]" 6
56 1 43 TRP HE3 1 45 LEU H 5.500 . 6.000 4.867 3.432 6.043 0.043 11 0 "[ . 1 ]" 6
57 1 43 TRP HE3 1 44 THR H 5.500 . 6.000 3.868 2.979 4.555 . 0 0 "[ . 1 ]" 6
58 1 46 TRP H 1 46 TRP HD1 5.500 . 6.000 2.895 1.751 3.957 0.049 3 0 "[ . 1 ]" 6
59 1 46 TRP HZ2 1 96 PHE H 6.000 . 6.500 4.917 4.245 5.917 . 0 0 "[ . 1 ]" 6
60 1 58 TRP H 1 58 TRP HD1 5.500 . 6.000 4.695 4.436 4.965 . 0 0 "[ . 1 ]" 6
61 1 75 TRP H 1 75 TRP HD1 5.500 . 6.000 4.016 3.649 4.266 . 0 0 "[ . 1 ]" 6
62 1 75 TRP HD1 1 76 ALA H 5.500 . 6.000 5.579 5.229 5.821 . 0 0 "[ . 1 ]" 6
63 1 115 TRP H 1 115 TRP HE3 5.500 . 6.000 2.505 2.320 2.920 . 0 0 "[ . 1 ]" 6
64 1 115 TRP HE3 1 165 LEU H 5.500 . 6.000 5.164 4.800 5.547 . 0 0 "[ . 1 ]" 6
65 1 115 TRP HZ2 1 176 LEU H 5.000 . 5.500 3.044 2.895 3.235 . 0 0 "[ . 1 ]" 6
66 1 115 TRP HZ2 1 177 ARG H 5.500 . 6.000 5.408 5.212 5.551 . 0 0 "[ . 1 ]" 6
67 1 115 TRP HZ2 1 179 GLY H 5.000 . 5.500 5.365 5.040 5.505 0.005 5 0 "[ . 1 ]" 6
68 1 115 TRP HZ2 1 180 GLY H 6.500 . 7.000 6.910 6.367 7.034 0.034 1 0 "[ . 1 ]" 6
69 1 130 TRP HD1 1 131 LEU H 5.500 . 6.000 3.654 2.879 4.973 . 0 0 "[ . 1 ]" 6
70 1 106 ASP H 1 166 TRP HZ2 6.500 . 7.000 5.322 4.790 5.906 . 0 0 "[ . 1 ]" 6
71 1 165 LEU H 1 166 TRP HD1 5.500 . 6.000 3.830 3.403 4.280 . 0 0 "[ . 1 ]" 6
72 1 166 TRP H 1 166 TRP HD1 5.500 . 6.000 3.319 3.080 3.442 . 0 0 "[ . 1 ]" 6
73 1 203 ASN QD 1 205 ARG HA 7.000 . 7.500 6.471 5.531 6.737 . 0 0 "[ . 1 ]" 6
74 1 203 ASN QD 1 204 GLY QA 7.000 . 7.500 4.996 3.656 5.587 . 0 0 "[ . 1 ]" 6
75 1 199 HIS H 1 203 ASN QD 5.500 . 6.000 5.404 5.243 5.530 . 0 0 "[ . 1 ]" 6
76 1 196 PHE QD 1 197 PHE H 6.000 . 6.500 4.738 4.193 4.997 . 0 0 "[ . 1 ]" 6
77 1 172 LYS QG 1 199 HIS H 6.500 . 7.000 6.265 6.058 6.329 . 0 0 "[ . 1 ]" 6
78 1 97 ARG H 1 100 VAL MG1 5.500 . 6.000 4.222 3.817 4.958 . 0 0 "[ . 1 ]" 6
79 1 60 ASP H 1 62 LEU QB 5.500 . 6.000 4.880 4.724 5.462 . 0 0 "[ . 1 ]" 6
80 1 61 LEU H 1 62 LEU QB 5.500 . 6.000 3.880 3.722 4.472 . 0 0 "[ . 1 ]" 6
81 1 61 LEU H 1 62 LEU HG 5.500 . 6.000 5.513 5.314 6.035 0.035 2 0 "[ . 1 ]" 6
82 1 47 TYR H 1 62 LEU QB 5.500 . 6.000 5.049 4.253 5.318 . 0 0 "[ . 1 ]" 6
83 1 47 TYR H 1 62 LEU HG 5.500 . 6.000 6.002 5.062 6.168 0.168 5 0 "[ . 1 ]" 6
84 1 62 LEU QB 1 63 ARG H 5.500 . 6.000 3.408 2.922 3.615 . 0 0 "[ . 1 ]" 6
85 1 62 LEU HG 1 63 ARG H 5.500 . 6.000 4.562 3.694 4.809 . 0 0 "[ . 1 ]" 6
86 1 52 VAL H 1 61 LEU MD2 5.500 . 6.000 3.442 2.749 4.808 . 0 0 "[ . 1 ]" 6
87 1 53 ASP H 1 61 LEU MD2 5.500 . 6.000 3.107 2.566 4.201 . 0 0 "[ . 1 ]" 6
88 1 52 VAL QG 1 55 SER H 5.500 . 6.000 3.424 2.619 4.497 . 0 0 "[ . 1 ]" 6
89 1 52 VAL QG 1 56 GLU H 5.500 . 6.000 3.907 3.069 4.485 . 0 0 "[ . 1 ]" 6
90 1 59 SER H 1 60 ASP QB 5.500 . 6.000 4.101 3.959 4.448 . 0 0 "[ . 1 ]" 6
91 1 59 SER H 1 60 ASP HA 5.500 . 6.000 4.969 4.887 5.149 . 0 0 "[ . 1 ]" 6
92 1 114 LYS H 1 166 TRP HE1 6.500 . 7.000 5.511 5.169 5.970 . 0 0 "[ . 1 ]" 6
93 1 197 PHE HA 1 210 SER H 6.500 . 7.000 3.534 3.081 4.490 . 0 0 "[ . 1 ]" 6
94 1 197 PHE QB 1 210 SER H 6.500 . 7.000 5.252 4.672 6.220 . 0 0 "[ . 1 ]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 143
_Distance_constraint_stats_list.Viol_count 94
_Distance_constraint_stats_list.Viol_total 121.443
_Distance_constraint_stats_list.Viol_max 0.373
_Distance_constraint_stats_list.Viol_rms 0.0390
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.1174
_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
2 19 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 20 THR 0.000 0.000 . 0 "[ . 1 ]"
2 23 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 24 SER 0.000 0.000 . 0 "[ . 1 ]"
2 25 HIS 0.000 0.000 . 0 "[ . 1 ]"
2 26 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 27 LEU 0.820 0.214 3 0 "[ . 1 ]"
2 28 ASN 0.820 0.214 3 0 "[ . 1 ]"
2 29 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 30 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 31 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 32 ASP 0.057 0.024 9 0 "[ . 1 ]"
2 33 ALA 0.057 0.024 9 0 "[ . 1 ]"
2 34 THR 0.000 0.000 . 0 "[ . 1 ]"
2 35 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 36 ILE 1.200 0.187 7 0 "[ . 1 ]"
2 37 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 38 ASP 1.200 0.187 7 0 "[ . 1 ]"
2 39 VAL 3.857 0.373 10 0 "[ . 1 ]"
2 40 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 41 SER 3.857 0.373 10 0 "[ . 1 ]"
2 42 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 43 ASN 0.000 0.000 . 0 "[ . 1 ]"
2 44 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 45 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 46 GLU 0.081 0.038 4 0 "[ . 1 ]"
2 47 GLY 0.081 0.038 4 0 "[ . 1 ]"
2 48 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 49 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 50 GLY 0.000 0.000 . 0 "[ . 1 ]"
2 52 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 53 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 54 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 55 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 56 LYS 0.723 0.214 11 0 "[ . 1 ]"
2 57 LYS 2.070 0.237 2 0 "[ . 1 ]"
2 58 GLU 2.224 0.237 2 0 "[ . 1 ]"
2 59 HIS 0.000 0.000 . 0 "[ . 1 ]"
2 60 VAL 1.243 0.248 1 0 "[ . 1 ]"
2 61 LYS 0.248 0.248 1 0 "[ . 1 ]"
2 62 TYR 0.388 0.143 10 0 "[ . 1 ]"
2 63 THR 0.000 0.000 . 0 "[ . 1 ]"
2 64 TYR 0.000 0.000 . 0 "[ . 1 ]"
2 66 PRO 0.000 0.000 . 0 "[ . 1 ]"
2 67 THR 0.000 0.000 . 0 "[ . 1 ]"
2 68 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 69 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 70 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 71 GLN 0.000 0.000 . 0 "[ . 1 ]"
2 72 PHE 0.000 0.000 . 0 "[ . 1 ]"
2 73 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 74 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 75 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 76 LEU 0.315 0.133 10 0 "[ . 1 ]"
2 77 ASN 0.490 0.176 3 0 "[ . 1 ]"
2 78 VAL 0.909 0.271 11 0 "[ . 1 ]"
2 79 LYS 0.733 0.271 11 0 "[ . 1 ]"
2 80 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 82 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 83 GLU 0.000 0.000 . 0 "[ . 1 ]"
2 84 TRP 0.000 0.000 . 0 "[ . 1 ]"
2 85 VAL 0.032 0.032 10 0 "[ . 1 ]"
2 86 GLN 0.032 0.032 10 0 "[ . 1 ]"
2 87 SER 0.000 0.000 . 0 "[ . 1 ]"
2 88 THR 0.000 0.000 . 0 "[ . 1 ]"
2 89 ALA 0.000 0.000 . 0 "[ . 1 ]"
2 90 SER 0.000 0.000 . 0 "[ . 1 ]"
2 92 ILE 0.000 0.000 . 0 "[ . 1 ]"
2 93 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 94 ILE 0.018 0.018 4 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 2 19 GLY H 2 20 THR H 5.500 . 6.000 2.343 2.221 2.505 . 0 0 "[ . 1 ]" 7
2 2 23 VAL H 2 24 SER H 3.500 . 4.000 2.616 2.501 2.877 . 0 0 "[ . 1 ]" 7
3 2 23 VAL HB 2 24 SER H 3.330 . 3.830 2.781 2.420 2.932 . 0 0 "[ . 1 ]" 7
4 2 24 SER H 2 25 HIS H 3.500 . 4.000 2.782 2.685 2.869 . 0 0 "[ . 1 ]" 7
5 2 25 HIS H 2 26 ILE H 3.500 . 4.000 2.796 2.612 2.952 . 0 0 "[ . 1 ]" 7
6 2 26 ILE H 2 27 LEU H 3.500 . 4.000 2.765 2.545 3.015 . 0 0 "[ . 1 ]" 7
7 2 27 LEU H 2 28 ASN H 3.580 . 4.020 2.748 2.649 2.881 . 0 0 "[ . 1 ]" 7
8 2 27 LEU QB 2 28 ASN H 4.140 . 4.640 2.593 2.454 2.831 . 0 0 "[ . 1 ]" 7
9 2 27 LEU HG 2 28 ASN H 4.200 . 4.700 4.750 4.505 4.914 0.214 3 0 "[ . 1 ]" 7
10 2 27 LEU MD1 2 28 ASN H 6.530 . 7.030 4.578 4.330 4.962 . 0 0 "[ . 1 ]" 7
11 2 27 LEU MD2 2 28 ASN H 6.530 . 7.030 4.436 4.237 4.692 . 0 0 "[ . 1 ]" 7
12 2 28 ASN H 2 28 ASN QB 3.330 . 3.710 2.246 2.052 2.633 . 0 0 "[ . 1 ]" 7
13 2 28 ASN H 2 29 VAL H 3.790 . 4.290 2.730 2.524 2.925 . 0 0 "[ . 1 ]" 7
14 2 28 ASN QB 2 29 VAL H 3.610 . 4.110 2.712 2.553 2.899 . 0 0 "[ . 1 ]" 7
15 2 29 VAL H 2 29 VAL HB 3.270 . 3.770 3.219 2.532 3.612 . 0 0 "[ . 1 ]" 7
16 2 29 VAL H 2 29 VAL MG2 4.360 . 4.860 2.518 1.961 2.922 . 0 0 "[ . 1 ]" 7
17 2 30 LEU H 2 30 LEU MD1 5.010 . 5.510 3.319 2.152 3.851 . 0 0 "[ . 1 ]" 7
18 2 30 LEU H 2 31 LYS H 3.330 . 3.830 2.674 2.512 2.798 . 0 0 "[ . 1 ]" 7
19 2 31 LYS H 2 31 LYS QB 3.020 . 3.120 2.249 2.064 2.446 . 0 0 "[ . 1 ]" 7
20 2 31 LYS H 2 32 ASP H 3.140 . 3.150 2.876 2.808 3.057 . 0 0 "[ . 1 ]" 7
21 2 28 ASN HA 2 31 LYS H 4.000 . 4.500 3.566 3.183 3.946 . 0 0 "[ . 1 ]" 7
22 2 31 LYS QB 2 32 ASP H . . 3.670 2.737 2.068 2.983 . 0 0 "[ . 1 ]" 7
23 2 29 VAL HA 2 31 LYS H 4.500 . 5.000 4.032 3.716 4.302 . 0 0 "[ . 1 ]" 7
24 2 30 LEU HA 2 31 LYS H 4.000 . 4.500 3.502 3.492 3.526 . 0 0 "[ . 1 ]" 7
25 2 31 LYS HA 2 32 ASP H 4.000 . 4.500 3.498 3.449 3.571 . 0 0 "[ . 1 ]" 7
26 2 29 VAL HA 2 32 ASP H 4.000 . 4.500 3.967 3.812 4.124 . 0 0 "[ . 1 ]" 7
27 2 32 ASP H 2 32 ASP QB 2.900 . 3.400 2.523 2.160 3.083 . 0 0 "[ . 1 ]" 7
28 2 32 ASP H 2 33 ALA H 2.860 . 3.360 3.094 2.678 3.384 0.024 9 0 "[ . 1 ]" 7
29 2 32 ASP H 2 33 ALA MB 5.260 . 5.760 3.856 3.643 4.207 . 0 0 "[ . 1 ]" 7
30 2 31 LYS HA 2 33 ALA H 4.500 . 5.000 4.164 3.633 4.778 . 0 0 "[ . 1 ]" 7
31 2 30 LEU HA 2 33 ALA H 4.000 . 4.500 3.969 3.623 4.475 . 0 0 "[ . 1 ]" 7
32 2 33 ALA H 2 34 THR H 5.440 . 5.940 4.487 4.446 4.543 . 0 0 "[ . 1 ]" 7
33 2 35 PRO HA 2 36 ILE H 3.520 . 4.020 2.550 2.379 2.653 . 0 0 "[ . 1 ]" 7
34 2 36 ILE H 2 36 ILE HB 3.330 . 3.830 3.023 2.933 3.089 . 0 0 "[ . 1 ]" 7
35 2 36 ILE HA 2 37 GLU H 2.830 . 3.330 2.193 2.125 2.231 . 0 0 "[ . 1 ]" 7
36 2 36 ILE HA 2 38 ASP H 3.240 . 3.740 3.662 3.455 3.766 0.026 4 0 "[ . 1 ]" 7
37 2 36 ILE HB 2 37 GLU H 3.950 . 4.450 4.121 3.989 4.246 . 0 0 "[ . 1 ]" 7
38 2 36 ILE HB 2 38 ASP H 3.920 . 4.420 4.523 4.454 4.607 0.187 7 0 "[ . 1 ]" 7
39 2 36 ILE QG 2 37 GLU H 5.820 . 6.320 2.145 1.888 2.358 . 0 0 "[ . 1 ]" 7
40 2 36 ILE QG 2 38 ASP H 4.520 . 5.020 1.930 1.839 2.069 . 0 0 "[ . 1 ]" 7
41 2 37 GLU H 2 37 GLU QB . . 3.400 2.275 2.172 2.385 . 0 0 "[ . 1 ]" 7
42 2 37 GLU H 2 38 ASP H 3.390 . 3.460 2.103 2.067 2.141 . 0 0 "[ . 1 ]" 7
43 2 37 GLU HA 2 38 ASP H 3.020 . 3.520 3.417 3.361 3.463 . 0 0 "[ . 1 ]" 7
44 2 37 GLU QB 2 38 ASP H . . 3.400 2.978 2.885 3.085 . 0 0 "[ . 1 ]" 7
45 2 37 GLU QG 2 38 ASP H 4.940 . 5.440 4.454 4.226 4.694 . 0 0 "[ . 1 ]" 7
46 2 38 ASP H 2 38 ASP QB 3.450 . 3.950 3.273 3.243 3.356 . 0 0 "[ . 1 ]" 7
47 2 38 ASP HA 2 39 VAL H 2.930 . 3.430 2.284 2.239 2.317 . 0 0 "[ . 1 ]" 7
48 2 39 VAL H 2 40 PHE H 3.520 . 4.020 3.389 3.131 3.500 . 0 0 "[ . 1 ]" 7
49 2 39 VAL H 2 41 SER H 2.770 . 3.270 3.621 3.574 3.643 0.373 10 0 "[ . 1 ]" 7
50 2 40 PHE H 2 40 PHE QB 3.140 . 3.640 2.628 2.529 2.799 . 0 0 "[ . 1 ]" 7
51 2 40 PHE H 2 41 SER H 2.590 . 3.090 2.653 2.623 2.682 . 0 0 "[ . 1 ]" 7
52 2 38 ASP HA 2 40 PHE H 5.000 . 5.500 5.124 4.802 5.267 . 0 0 "[ . 1 ]" 7
53 2 40 PHE H 2 42 PHE H 4.170 . 4.670 4.285 4.143 4.357 . 0 0 "[ . 1 ]" 7
54 2 41 SER H 2 42 PHE H 2.770 . 3.270 2.396 2.213 2.504 . 0 0 "[ . 1 ]" 7
55 2 42 PHE H 2 42 PHE QB 3.110 . 3.610 3.097 2.997 3.159 . 0 0 "[ . 1 ]" 7
56 2 42 PHE HA 2 43 ASN H 2.620 . 3.120 2.125 2.083 2.224 . 0 0 "[ . 1 ]" 7
57 2 42 PHE QB 2 43 ASN H 3.670 . 4.170 3.119 2.751 3.406 . 0 0 "[ . 1 ]" 7
58 2 42 PHE QD 2 43 ASN H 7.440 . 7.940 4.453 4.223 4.615 . 0 0 "[ . 1 ]" 7
59 2 43 ASN H 2 43 ASN QB 2.990 . 3.490 2.480 2.212 2.893 . 0 0 "[ . 1 ]" 7
60 2 43 ASN QB 2 44 TYR H 4.110 . 4.610 3.561 3.353 3.908 . 0 0 "[ . 1 ]" 7
61 2 44 TYR H 2 44 TYR QB 3.360 . 3.860 2.963 2.823 3.002 . 0 0 "[ . 1 ]" 7
62 2 45 PRO HA 2 46 GLU H 2.590 . 3.090 2.463 2.154 2.939 . 0 0 "[ . 1 ]" 7
63 2 46 GLU HA 2 47 GLY H 2.550 . 3.050 2.709 2.138 3.088 0.038 4 0 "[ . 1 ]" 7
64 2 47 GLY H 2 48 ILE H 2.900 . 3.400 2.645 2.225 3.187 . 0 0 "[ . 1 ]" 7
65 2 47 GLY QA 2 48 ILE H 3.520 . 4.020 2.853 2.566 2.924 . 0 0 "[ . 1 ]" 7
66 2 48 ILE H 2 48 ILE HA 2.800 . 3.300 2.926 2.875 2.943 . 0 0 "[ . 1 ]" 7
67 2 48 ILE H 2 48 ILE MD 4.540 . 5.040 2.360 1.822 3.140 . 0 0 "[ . 1 ]" 7
68 2 48 ILE HA 2 49 GLU H 2.680 . 3.180 2.538 2.507 2.554 . 0 0 "[ . 1 ]" 7
69 2 48 ILE MD 2 49 GLU H 4.450 . 4.950 3.433 3.223 3.673 . 0 0 "[ . 1 ]" 7
70 2 49 GLU H 2 49 GLU QB 2.900 . 3.400 3.029 2.903 3.140 . 0 0 "[ . 1 ]" 7
71 2 49 GLU HA 2 50 GLY H 5.000 . 5.500 2.161 2.147 2.178 . 0 0 "[ . 1 ]" 7
72 2 52 ASP H 2 53 ILE H 3.580 . 4.080 1.918 1.850 2.311 . 0 0 "[ . 1 ]" 7
73 2 53 ILE H 2 54 LYS H 3.580 . 3.890 3.670 3.030 3.803 . 0 0 "[ . 1 ]" 7
74 2 53 ILE HA 2 54 LYS H 4.010 . 4.500 3.550 3.477 3.568 . 0 0 "[ . 1 ]" 7
75 2 53 ILE HA 2 55 TYR H 4.170 . 4.670 4.518 4.357 4.669 . 0 0 "[ . 1 ]" 7
76 2 54 LYS H 2 55 TYR H 2.990 . 3.490 2.331 2.193 2.852 . 0 0 "[ . 1 ]" 7
77 2 54 LYS HA 2 55 TYR H 4.000 . 4.500 3.393 3.345 3.557 . 0 0 "[ . 1 ]" 7
78 2 55 TYR HA 2 56 LYS H 3.450 . 3.950 3.447 3.350 3.516 . 0 0 "[ . 1 ]" 7
79 2 56 LYS H 2 57 LYS H 4.290 . 4.790 2.491 2.326 3.437 . 0 0 "[ . 1 ]" 7
80 2 56 LYS HA 2 57 LYS H 2.860 . 3.360 3.385 3.350 3.504 0.144 11 0 "[ . 1 ]" 7
81 2 56 LYS HA 2 58 GLU H 3.020 . 3.520 3.491 3.196 3.734 0.214 11 0 "[ . 1 ]" 7
82 2 57 LYS HA 2 58 GLU H 2.740 . 3.240 3.355 2.718 3.477 0.237 2 0 "[ . 1 ]" 7
83 2 59 HIS H 2 60 VAL H 3.390 . 3.890 2.522 1.845 2.820 . 0 0 "[ . 1 ]" 7
84 2 60 VAL H 2 60 VAL HB 2.800 . 3.300 2.948 2.335 3.508 0.208 9 0 "[ . 1 ]" 7
85 2 60 VAL H 2 60 VAL MG2 4.330 . 4.830 2.822 1.743 3.792 0.057 11 0 "[ . 1 ]" 7
86 2 60 VAL H 2 61 LYS H 4.720 . 5.220 4.452 3.953 4.671 . 0 0 "[ . 1 ]" 7
87 2 60 VAL HA 2 61 LYS H 2.550 . 3.050 2.445 2.128 3.298 0.248 1 0 "[ . 1 ]" 7
88 2 60 VAL HA 2 62 TYR H 3.170 . 3.670 3.672 3.458 3.813 0.143 10 0 "[ . 1 ]" 7
89 2 60 VAL MG1 2 61 LYS H 4.450 . 4.950 2.829 1.808 4.129 . 0 0 "[ . 1 ]" 7
90 2 60 VAL MG1 2 62 TYR H 4.610 . 5.110 3.532 1.837 4.244 . 0 0 "[ . 1 ]" 7
91 2 60 VAL MG2 2 61 LYS H 5.070 . 5.570 3.252 1.803 4.488 . 0 0 "[ . 1 ]" 7
92 2 61 LYS H 2 62 TYR H 3.330 . 3.800 2.637 1.866 3.500 . 0 0 "[ . 1 ]" 7
93 2 62 TYR H 2 62 TYR QB 3.670 . 4.170 2.968 2.695 3.303 . 0 0 "[ . 1 ]" 7
94 2 62 TYR HA 2 63 THR H 5.500 . 6.000 2.520 2.277 2.708 . 0 0 "[ . 1 ]" 7
95 2 62 TYR QD 2 63 THR H 6.400 . 6.900 4.654 4.130 4.950 . 0 0 "[ . 1 ]" 7
96 2 63 THR HA 2 64 TYR H 5.500 . 6.000 2.139 2.117 2.170 . 0 0 "[ . 1 ]" 7
97 2 66 PRO QB 2 67 THR H 3.360 . 3.830 2.738 2.092 3.397 . 0 0 "[ . 1 ]" 7
98 2 67 THR H 2 68 PHE H 3.390 . 3.860 2.637 2.453 2.902 . 0 0 "[ . 1 ]" 7
99 2 67 THR MG 2 68 PHE H 6.530 . 7.030 3.578 3.262 4.210 . 0 0 "[ . 1 ]" 7
100 2 68 PHE H 2 68 PHE QB 3.610 . 3.920 2.207 2.177 2.240 . 0 0 "[ . 1 ]" 7
101 2 69 LEU H 2 70 LEU H 5.500 . 6.000 2.700 2.592 2.781 . 0 0 "[ . 1 ]" 7
102 2 70 LEU H 2 70 LEU MD1 5.600 . 6.100 2.913 2.470 3.035 . 0 0 "[ . 1 ]" 7
103 2 70 LEU H 2 71 GLN H 3.670 . 4.170 2.694 2.554 2.844 . 0 0 "[ . 1 ]" 7
104 2 71 GLN H 2 72 PHE H 4.040 . 4.390 2.733 2.638 2.860 . 0 0 "[ . 1 ]" 7
105 2 72 PHE H 2 73 LYS H 4.040 . 4.260 2.921 2.764 3.114 . 0 0 "[ . 1 ]" 7
106 2 73 LYS H 2 74 ASP H 3.950 . 4.450 2.977 2.773 3.261 . 0 0 "[ . 1 ]" 7
107 2 74 ASP H 2 75 LYS H 3.140 . 3.610 2.955 2.766 3.117 . 0 0 "[ . 1 ]" 7
108 2 74 ASP H 2 76 LEU H 4.260 . 4.760 3.963 3.715 4.453 . 0 0 "[ . 1 ]" 7
109 2 74 ASP HA 2 75 LYS H 3.390 . 3.890 3.552 3.504 3.579 . 0 0 "[ . 1 ]" 7
110 2 75 LYS H 2 76 LEU H 3.270 . 3.670 2.329 2.280 2.404 . 0 0 "[ . 1 ]" 7
111 2 75 LYS HA 2 76 LEU H 3.890 . 4.390 3.436 3.366 3.556 . 0 0 "[ . 1 ]" 7
112 2 75 LYS HA 2 77 ASN H 3.950 . 4.450 3.513 3.347 3.812 . 0 0 "[ . 1 ]" 7
113 2 76 LEU H 2 77 ASN H 3.300 . 3.710 2.578 2.380 2.926 . 0 0 "[ . 1 ]" 7
114 2 76 LEU HA 2 77 ASN H 2.830 . 3.330 3.325 3.259 3.463 0.133 10 0 "[ . 1 ]" 7
115 2 76 LEU MD2 2 77 ASN H 6.220 . 6.720 4.292 4.155 4.468 . 0 0 "[ . 1 ]" 7
116 2 77 ASN H 2 77 ASN HA 2.960 . 3.460 2.700 2.598 2.800 . 0 0 "[ . 1 ]" 7
117 2 77 ASN H 2 77 ASN QB 3.110 . 3.520 2.271 2.055 2.714 . 0 0 "[ . 1 ]" 7
118 2 77 ASN H 2 78 VAL MG1 6.340 . 6.840 4.032 3.695 4.381 . 0 0 "[ . 1 ]" 7
119 2 77 ASN HA 2 78 VAL H 2.800 . 3.300 2.447 2.261 3.476 0.176 3 0 "[ . 1 ]" 7
120 2 78 VAL H 2 78 VAL HA 2.930 . 3.430 2.876 2.729 2.941 . 0 0 "[ . 1 ]" 7
121 2 78 VAL H 2 78 VAL MG2 3.920 . 4.420 2.351 1.916 2.666 . 0 0 "[ . 1 ]" 7
122 2 78 VAL H 2 79 LYS H 4.910 . 5.040 3.630 1.820 4.652 . 0 0 "[ . 1 ]" 7
123 2 78 VAL HA 2 79 LYS H 2.650 . 3.150 2.849 2.243 3.421 0.271 11 0 "[ . 1 ]" 7
124 2 78 VAL MG1 2 79 LYS H 5.660 . 6.160 3.785 3.489 4.391 . 0 0 "[ . 1 ]" 7
125 2 78 VAL MG2 2 79 LYS H 6.530 . 7.030 2.750 1.842 4.069 . 0 0 "[ . 1 ]" 7
126 2 80 ALA MB 2 82 ALA H 4.000 . 4.500 3.793 3.653 3.976 . 0 0 "[ . 1 ]" 7
127 2 82 ALA H 2 83 GLU H 3.730 . 4.230 2.843 2.570 3.212 . 0 0 "[ . 1 ]" 7
128 2 83 GLU H 2 84 TRP H 3.500 . 4.000 2.672 2.484 2.894 . 0 0 "[ . 1 ]" 7
129 2 84 TRP HD1 2 88 THR MG 4.000 . 4.500 3.525 2.661 3.896 . 0 0 "[ . 1 ]" 7
130 2 84 TRP H 2 85 VAL H 3.500 . 4.000 2.761 2.614 3.006 . 0 0 "[ . 1 ]" 7
131 2 85 VAL H 2 86 GLN H 3.500 . 4.000 2.797 2.675 2.899 . 0 0 "[ . 1 ]" 7
132 2 86 GLN H 2 87 SER H 3.500 . 4.000 2.762 2.625 2.972 . 0 0 "[ . 1 ]" 7
133 2 86 GLN H 2 86 GLN QB 3.500 . 4.000 2.208 2.035 2.486 . 0 0 "[ . 1 ]" 7
134 2 85 VAL QG 2 86 GLN H 4.000 . 4.500 2.698 1.768 3.258 0.032 10 0 "[ . 1 ]" 7
135 2 83 GLU HA 2 86 GLN H 4.000 . 4.500 3.458 3.254 3.713 . 0 0 "[ . 1 ]" 7
136 2 86 GLN HA 2 87 SER H 3.500 . 4.000 3.512 3.437 3.589 . 0 0 "[ . 1 ]" 7
137 2 87 SER H 2 88 THR H 3.500 . 4.000 2.352 2.248 2.592 . 0 0 "[ . 1 ]" 7
138 2 86 GLN QB 2 87 SER H 4.000 . 4.500 2.708 2.445 2.974 . 0 0 "[ . 1 ]" 7
139 2 88 THR H 2 89 ALA H 3.500 . 4.000 2.757 2.354 3.073 . 0 0 "[ . 1 ]" 7
140 2 89 ALA H 2 90 SER H 3.500 . 4.000 2.776 2.573 2.875 . 0 0 "[ . 1 ]" 7
141 2 92 ILE HA 2 93 VAL H 3.170 . 3.670 2.176 2.142 2.224 . 0 0 "[ . 1 ]" 7
142 2 93 VAL HA 2 94 ILE H 2.770 . 3.270 2.217 2.155 2.255 . 0 0 "[ . 1 ]" 7
143 2 94 ILE H 2 94 ILE MD 4.360 . 4.860 3.514 1.782 3.966 0.018 4 0 "[ . 1 ]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 114
_Distance_constraint_stats_list.Viol_count 460
_Distance_constraint_stats_list.Viol_total 273.823
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0391
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0199
_Distance_constraint_stats_list.Viol_average_violations_only 0.0541
_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 25 THR 0.066 0.038 7 0 "[ . 1 ]"
1 29 ASP 0.066 0.038 7 0 "[ . 1 ]"
1 46 TRP 0.252 0.107 3 0 "[ . 1 ]"
1 47 TYR 0.329 0.082 10 0 "[ . 1 ]"
1 48 THR 0.751 0.088 6 0 "[ . 1 ]"
1 57 SER 0.000 0.000 . 0 "[ . 1 ]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 63 ARG 0.329 0.082 10 0 "[ . 1 ]"
1 71 VAL 0.491 0.157 4 0 "[ . 1 ]"
1 72 GLU 0.737 0.102 3 0 "[ . 1 ]"
1 73 GLU 2.676 0.281 1 0 "[ . 1 ]"
1 74 PHE 0.123 0.050 1 0 "[ . 1 ]"
1 75 TRP 1.079 0.157 4 0 "[ . 1 ]"
1 76 ALA 4.080 0.281 7 0 "[ . 1 ]"
1 77 ILE 2.676 0.281 1 0 "[ . 1 ]"
1 78 ILE 0.123 0.050 1 0 "[ . 1 ]"
1 79 GLN 0.588 0.102 5 0 "[ . 1 ]"
1 80 ASN 3.343 0.281 7 0 "[ . 1 ]"
1 91 SER 1.248 0.172 8 0 "[ . 1 ]"
1 92 ASP 0.751 0.088 6 0 "[ . 1 ]"
1 93 TYR 0.189 0.067 1 0 "[ . 1 ]"
1 94 HIS 0.252 0.107 3 0 "[ . 1 ]"
1 95 VAL 0.584 0.157 5 0 "[ . 1 ]"
1 106 ASP 0.747 0.125 11 0 "[ . 1 ]"
1 110 ALA 0.747 0.125 11 0 "[ . 1 ]"
1 113 GLY 0.609 0.229 10 0 "[ . 1 ]"
1 114 LYS 0.010 0.006 5 0 "[ . 1 ]"
1 115 TRP 0.522 0.089 8 0 "[ . 1 ]"
1 116 SER 0.378 0.065 8 0 "[ . 1 ]"
1 117 PHE 0.478 0.093 9 0 "[ . 1 ]"
1 119 LEU 0.180 0.030 10 0 "[ . 1 ]"
1 126 ILE 0.056 0.033 6 0 "[ . 1 ]"
1 127 ASP 0.733 0.091 6 0 "[ . 1 ]"
1 128 GLU 0.215 0.061 5 0 "[ . 1 ]"
1 129 LEU 0.964 0.089 8 0 "[ . 1 ]"
1 130 TRP 0.056 0.033 6 0 "[ . 1 ]"
1 131 LEU 1.503 0.154 10 0 "[ . 1 ]"
1 132 CYS 1.907 0.160 6 0 "[ . 1 ]"
1 133 THR 1.106 0.089 8 0 "[ . 1 ]"
1 134 LEU 0.049 0.032 2 0 "[ . 1 ]"
1 135 LEU 0.769 0.154 10 0 "[ . 1 ]"
1 136 ALA 1.692 0.160 6 0 "[ . 1 ]"
1 137 VAL 0.142 0.043 6 0 "[ . 1 ]"
1 138 ILE 0.049 0.032 2 0 "[ . 1 ]"
1 151 GLY 0.493 0.103 10 0 "[ . 1 ]"
1 152 VAL 0.584 0.157 5 0 "[ . 1 ]"
1 153 VAL 1.164 0.091 4 0 "[ . 1 ]"
1 154 LEU 0.189 0.067 1 0 "[ . 1 ]"
1 155 SER 0.153 0.039 8 0 "[ . 1 ]"
1 156 ILE 1.248 0.172 8 0 "[ . 1 ]"
1 161 ASN 0.180 0.030 10 0 "[ . 1 ]"
1 162 LYS 0.153 0.039 8 0 "[ . 1 ]"
1 163 PHE 0.478 0.093 9 0 "[ . 1 ]"
1 164 ALA 1.164 0.091 4 0 "[ . 1 ]"
1 165 LEU 0.522 0.089 8 0 "[ . 1 ]"
1 166 TRP 0.493 0.103 10 0 "[ . 1 ]"
1 167 THR 0.609 0.229 10 0 "[ . 1 ]"
1 173 GLU 0.327 0.041 4 0 "[ . 1 ]"
1 174 PRO 0.008 0.008 5 0 "[ . 1 ]"
1 175 LEU 0.587 0.080 9 0 "[ . 1 ]"
1 176 LEU 0.542 0.092 8 0 "[ . 1 ]"
1 177 ARG 0.935 0.101 10 0 "[ . 1 ]"
1 178 ILE 0.042 0.010 8 0 "[ . 1 ]"
1 179 GLY 0.602 0.080 9 0 "[ . 1 ]"
1 180 GLY 1.112 0.102 1 0 "[ . 1 ]"
1 181 LYS 0.775 0.101 10 0 "[ . 1 ]"
1 182 PHE 0.034 0.010 8 0 "[ . 1 ]"
1 183 LYS 0.015 0.011 1 0 "[ . 1 ]"
1 184 GLN 0.570 0.102 1 0 "[ . 1 ]"
1 185 VAL 0.167 0.058 1 0 "[ . 1 ]"
1 194 LEU 0.330 0.102 2 0 "[ . 1 ]"
1 195 GLU 0.378 0.065 8 0 "[ . 1 ]"
1 196 PHE 0.975 0.122 2 0 "[ . 1 ]"
1 197 PHE 0.010 0.006 5 0 "[ . 1 ]"
1 211 ILE 0.975 0.122 2 0 "[ . 1 ]"
1 213 LEU 0.330 0.102 2 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 46 TRP O 1 94 HIS H 2.150 . 2.500 1.924 1.693 2.455 0.107 3 0 "[ . 1 ]" 8
2 1 46 TRP O 1 94 HIS N 2.900 2.500 3.300 2.711 2.493 2.905 0.007 8 0 "[ . 1 ]" 8
3 1 47 TYR O 1 63 ARG H 2.150 . 2.500 1.891 1.718 2.303 0.082 10 0 "[ . 1 ]" 8
4 1 47 TYR O 1 63 ARG N 2.900 2.500 3.300 2.806 2.602 3.188 . 0 0 "[ . 1 ]" 8
5 1 48 THR O 1 92 ASP H 2.150 . 2.500 2.480 2.329 2.579 0.079 7 0 "[ . 1 ]" 8
6 1 48 THR O 1 92 ASP N 2.900 2.500 3.300 3.194 2.907 3.349 0.049 3 0 "[ . 1 ]" 8
7 1 47 TYR H 1 63 ARG O 2.150 . 2.500 2.076 1.854 2.383 . 0 0 "[ . 1 ]" 8
8 1 47 TYR N 1 63 ARG O 2.900 2.500 3.300 3.021 2.799 3.326 0.026 3 0 "[ . 1 ]" 8
9 1 91 SER O 1 156 ILE H 2.150 . 2.500 1.779 1.695 2.044 0.105 8 0 "[ . 1 ]" 8
10 1 91 SER O 1 156 ILE N 2.900 2.500 3.300 2.565 2.462 2.715 0.038 8 0 "[ . 1 ]" 8
11 1 48 THR H 1 92 ASP O 2.150 . 2.500 1.775 1.712 1.845 0.088 6 0 "[ . 1 ]" 8
12 1 48 THR N 1 92 ASP O 2.900 2.500 3.300 2.609 2.461 2.701 0.039 4 0 "[ . 1 ]" 8
13 1 93 TYR O 1 154 LEU H 2.150 . 2.500 1.948 1.780 2.284 0.020 2 0 "[ . 1 ]" 8
14 1 93 TYR O 1 154 LEU N 2.900 2.500 3.300 2.655 2.433 3.255 0.067 1 0 "[ . 1 ]" 8
15 1 46 TRP H 1 94 HIS O 2.150 . 2.500 1.970 1.746 2.175 0.054 4 0 "[ . 1 ]" 8
16 1 46 TRP N 1 94 HIS O 2.900 2.500 3.300 2.855 2.651 3.056 . 0 0 "[ . 1 ]" 8
17 1 95 VAL O 1 152 VAL H 2.150 . 2.500 2.342 2.081 2.514 0.014 3 0 "[ . 1 ]" 8
18 1 95 VAL O 1 152 VAL N 2.900 2.500 3.300 3.258 3.053 3.457 0.157 5 0 "[ . 1 ]" 8
19 1 113 GLY O 1 167 THR H 2.150 . 2.500 2.354 2.060 2.553 0.053 10 0 "[ . 1 ]" 8
20 1 113 GLY O 1 167 THR N 2.900 2.500 3.300 3.294 3.027 3.529 0.229 10 0 "[ . 1 ]" 8
21 1 114 LYS O 1 197 PHE H 2.150 . 2.500 2.065 1.796 2.366 0.004 1 0 "[ . 1 ]" 8
22 1 114 LYS O 1 197 PHE N 2.900 2.500 3.300 2.993 2.725 3.306 0.006 5 0 "[ . 1 ]" 8
23 1 115 TRP O 1 165 LEU H 2.150 . 2.500 1.977 1.763 2.430 0.037 5 0 "[ . 1 ]" 8
24 1 115 TRP O 1 165 LEU N 2.900 2.500 3.300 2.762 2.444 3.331 0.056 11 0 "[ . 1 ]" 8
25 1 116 SER O 1 195 GLU H 2.150 . 2.500 1.943 1.761 2.413 0.039 7 0 "[ . 1 ]" 8
26 1 116 SER O 1 195 GLU N 2.900 2.500 3.300 2.500 2.435 2.715 0.065 8 0 "[ . 1 ]" 8
27 1 117 PHE O 1 163 PHE H 2.150 . 2.500 2.472 2.419 2.517 0.017 5 0 "[ . 1 ]" 8
28 1 117 PHE O 1 163 PHE N 2.900 2.500 3.300 3.341 3.311 3.393 0.093 9 0 "[ . 1 ]" 8
29 1 57 SER O 1 61 LEU H 2.150 . 2.500 2.180 2.042 2.321 . 0 0 "[ . 1 ]" 8
30 1 57 SER O 1 61 LEU N 2.900 2.500 3.300 2.957 2.853 3.043 . 0 0 "[ . 1 ]" 8
31 1 71 VAL O 1 75 TRP H 2.150 . 2.500 1.836 1.643 2.042 0.157 4 0 "[ . 1 ]" 8
32 1 71 VAL O 1 75 TRP N 2.900 2.500 3.300 2.731 2.592 2.928 . 0 0 "[ . 1 ]" 8
33 1 72 GLU O 1 76 ALA H 2.150 . 2.500 2.406 1.988 2.555 0.055 5 0 "[ . 1 ]" 8
34 1 72 GLU O 1 76 ALA N 2.900 2.500 3.300 3.299 2.917 3.402 0.102 3 0 "[ . 1 ]" 8
35 1 73 GLU O 1 77 ILE H 2.150 . 2.500 2.554 2.396 2.688 0.188 1 0 "[ . 1 ]" 8
36 1 73 GLU O 1 77 ILE N 2.900 2.500 3.300 3.479 3.325 3.581 0.281 1 0 "[ . 1 ]" 8
37 1 74 PHE O 1 78 ILE H 2.150 . 2.500 2.195 1.759 2.531 0.041 3 0 "[ . 1 ]" 8
38 1 74 PHE O 1 78 ILE N 2.900 2.500 3.300 3.069 2.698 3.350 0.050 1 0 "[ . 1 ]" 8
39 1 75 TRP O 1 79 GLN H 2.150 . 2.500 1.788 1.698 1.998 0.102 5 0 "[ . 1 ]" 8
40 1 75 TRP O 1 79 GLN N 2.900 2.500 3.300 2.575 2.431 2.836 0.069 3 0 "[ . 1 ]" 8
41 1 76 ALA O 1 80 ASN H 2.150 . 2.500 2.681 2.608 2.765 0.265 7 0 "[ . 1 ]" 8
42 1 76 ALA O 1 80 ASN N 2.900 2.500 3.300 3.423 3.322 3.581 0.281 7 0 "[ . 1 ]" 8
43 1 106 ASP O 1 110 ALA H 2.150 . 2.500 2.267 1.675 2.624 0.125 11 0 "[ . 1 ]" 8
44 1 106 ASP O 1 110 ALA N 2.900 2.500 3.300 3.036 2.462 3.402 0.102 1 0 "[ . 1 ]" 8
45 1 119 LEU O 1 161 ASN H 2.150 . 2.500 2.425 2.252 2.525 0.025 7 0 "[ . 1 ]" 8
46 1 119 LEU O 1 161 ASN N 2.900 2.500 3.300 3.170 2.910 3.330 0.030 10 0 "[ . 1 ]" 8
47 1 126 ILE O 1 130 TRP H 2.150 . 2.500 2.105 1.792 2.357 0.008 1 0 "[ . 1 ]" 8
48 1 126 ILE O 1 130 TRP N 2.900 2.500 3.300 3.071 2.759 3.333 0.033 6 0 "[ . 1 ]" 8
49 1 127 ASP O 1 131 LEU H 2.150 . 2.500 2.500 2.337 2.591 0.091 6 0 "[ . 1 ]" 8
50 1 127 ASP O 1 131 LEU N 2.900 2.500 3.300 3.296 3.036 3.369 0.069 3 0 "[ . 1 ]" 8
51 1 128 GLU O 1 132 CYS H 2.150 . 2.500 2.111 1.760 2.428 0.040 4 0 "[ . 1 ]" 8
52 1 128 GLU O 1 132 CYS N 2.900 2.500 3.300 3.046 2.679 3.361 0.061 5 0 "[ . 1 ]" 8
53 1 129 LEU O 1 133 THR H 2.150 . 2.500 2.542 2.483 2.583 0.083 6 0 "[ . 1 ]" 8
54 1 129 LEU O 1 133 THR N 2.900 2.500 3.300 3.330 3.223 3.389 0.089 8 0 "[ . 1 ]" 8
55 1 130 TRP O 1 134 LEU H 2.150 . 2.500 2.171 1.954 2.350 . 0 0 "[ . 1 ]" 8
56 1 130 TRP O 1 134 LEU N 2.900 2.500 3.300 2.997 2.836 3.186 . 0 0 "[ . 1 ]" 8
57 1 131 LEU O 1 135 LEU H 2.150 . 2.500 1.747 1.646 1.978 0.154 10 0 "[ . 1 ]" 8
58 1 131 LEU O 1 135 LEU N 2.900 2.500 3.300 2.591 2.487 2.814 0.013 9 0 "[ . 1 ]" 8
59 1 132 CYS O 1 136 ALA H 2.150 . 2.500 2.543 2.483 2.608 0.108 9 0 "[ . 1 ]" 8
60 1 132 CYS O 1 136 ALA N 2.900 2.500 3.300 3.408 3.355 3.460 0.160 6 0 "[ . 1 ]" 8
61 1 133 THR O 1 137 VAL H 2.150 . 2.500 2.388 1.990 2.543 0.043 6 0 "[ . 1 ]" 8
62 1 133 THR O 1 137 VAL N 2.900 2.500 3.300 3.160 2.806 3.331 0.031 2 0 "[ . 1 ]" 8
63 1 134 LEU O 1 138 ILE H 2.150 . 2.500 2.252 1.947 2.491 . 0 0 "[ . 1 ]" 8
64 1 134 LEU O 1 138 ILE N 2.900 2.500 3.300 3.044 2.656 3.332 0.032 2 0 "[ . 1 ]" 8
65 1 151 GLY O 1 166 TRP H 2.150 . 2.500 1.776 1.697 1.843 0.103 10 0 "[ . 1 ]" 8
66 1 151 GLY O 1 166 TRP N 2.900 2.500 3.300 2.527 2.437 2.617 0.063 5 0 "[ . 1 ]" 8
67 1 95 VAL H 1 152 VAL O 2.150 . 2.500 2.385 2.053 2.523 0.023 10 0 "[ . 1 ]" 8
68 1 95 VAL N 1 152 VAL O 2.900 2.500 3.300 3.275 3.031 3.352 0.052 4 0 "[ . 1 ]" 8
69 1 153 VAL O 1 164 ALA H 2.150 . 2.500 1.744 1.709 1.811 0.091 4 0 "[ . 1 ]" 8
70 1 153 VAL O 1 164 ALA N 2.900 2.500 3.300 2.616 2.490 2.675 0.010 8 0 "[ . 1 ]" 8
71 1 93 TYR H 1 154 LEU O 2.150 . 2.500 2.039 1.800 2.402 0.000 7 0 "[ . 1 ]" 8
72 1 93 TYR N 1 154 LEU O 2.900 2.500 3.300 2.846 2.581 3.082 . 0 0 "[ . 1 ]" 8
73 1 155 SER O 1 162 LYS H 2.150 . 2.500 2.158 1.814 2.513 0.013 9 0 "[ . 1 ]" 8
74 1 155 SER O 1 162 LYS N 2.900 2.500 3.300 2.750 2.552 3.037 . 0 0 "[ . 1 ]" 8
75 1 91 SER H 1 156 ILE O 2.150 . 2.500 2.566 2.525 2.672 0.172 8 0 "[ . 1 ]" 8
76 1 91 SER N 1 156 ILE O 2.900 2.500 3.300 2.912 2.798 3.063 . 0 0 "[ . 1 ]" 8
77 1 119 LEU H 1 161 ASN O 2.150 . 2.500 1.963 1.776 2.110 0.024 2 0 "[ . 1 ]" 8
78 1 119 LEU N 1 161 ASN O 2.900 2.500 3.300 2.834 2.737 2.964 . 0 0 "[ . 1 ]" 8
79 1 155 SER H 1 162 LYS O 2.150 . 2.500 1.851 1.764 2.086 0.036 2 0 "[ . 1 ]" 8
80 1 155 SER N 1 162 LYS O 2.900 2.500 3.300 2.579 2.461 2.709 0.039 8 0 "[ . 1 ]" 8
81 1 117 PHE H 1 163 PHE O 2.150 . 2.500 2.111 1.904 2.367 . 0 0 "[ . 1 ]" 8
82 1 117 PHE N 1 163 PHE O 2.900 2.500 3.300 2.904 2.678 3.137 . 0 0 "[ . 1 ]" 8
83 1 153 VAL H 1 164 ALA O 2.150 . 2.500 1.778 1.724 1.882 0.076 6 0 "[ . 1 ]" 8
84 1 153 VAL N 1 164 ALA O 2.900 2.500 3.300 2.614 2.432 2.752 0.068 10 0 "[ . 1 ]" 8
85 1 115 TRP H 1 165 LEU O 2.150 . 2.500 1.876 1.711 2.240 0.089 8 0 "[ . 1 ]" 8
86 1 115 TRP N 1 165 LEU O 2.900 2.500 3.300 2.813 2.597 3.184 . 0 0 "[ . 1 ]" 8
87 1 173 GLU O 1 177 ARG H 2.150 . 2.500 2.504 2.429 2.533 0.033 5 0 "[ . 1 ]" 8
88 1 173 GLU O 1 177 ARG N 2.900 2.500 3.300 3.307 3.180 3.341 0.041 4 0 "[ . 1 ]" 8
89 1 174 PRO O 1 178 ILE H 2.150 . 2.500 2.044 1.792 2.279 0.008 5 0 "[ . 1 ]" 8
90 1 174 PRO O 1 178 ILE N 2.900 2.500 3.300 2.939 2.672 3.207 . 0 0 "[ . 1 ]" 8
91 1 175 LEU O 1 179 GLY H 2.150 . 2.500 1.747 1.720 1.771 0.080 9 0 "[ . 1 ]" 8
92 1 175 LEU O 1 179 GLY N 2.900 2.500 3.300 2.651 2.542 2.731 . 0 0 "[ . 1 ]" 8
93 1 176 LEU O 1 180 GLY H 2.150 . 2.500 2.446 2.304 2.536 0.036 9 0 "[ . 1 ]" 8
94 1 176 LEU O 1 180 GLY N 2.900 2.500 3.300 3.331 3.141 3.392 0.092 8 0 "[ . 1 ]" 8
95 1 177 ARG O 1 181 LYS H 2.150 . 2.500 2.413 2.340 2.493 . 0 0 "[ . 1 ]" 8
96 1 177 ARG O 1 181 LYS N 2.900 2.500 3.300 3.355 3.304 3.401 0.101 10 0 "[ . 1 ]" 8
97 1 178 ILE O 1 182 PHE H 2.150 . 2.500 1.939 1.790 2.308 0.010 8 0 "[ . 1 ]" 8
98 1 178 ILE O 1 182 PHE N 2.900 2.500 3.300 2.870 2.581 3.182 . 0 0 "[ . 1 ]" 8
99 1 179 GLY O 1 183 LYS H 2.150 . 2.500 1.992 1.789 2.213 0.011 1 0 "[ . 1 ]" 8
100 1 179 GLY O 1 183 LYS N 2.900 2.500 3.300 2.701 2.496 2.991 0.004 4 0 "[ . 1 ]" 8
101 1 180 GLY O 1 184 GLN H 2.150 . 2.500 2.441 2.388 2.505 0.005 10 0 "[ . 1 ]" 8
102 1 180 GLY O 1 184 GLN N 2.900 2.500 3.300 3.351 3.321 3.402 0.102 1 0 "[ . 1 ]" 8
103 1 181 LYS O 1 185 VAL H 2.150 . 2.500 2.357 2.217 2.412 . 0 0 "[ . 1 ]" 8
104 1 181 LYS O 1 185 VAL N 2.900 2.500 3.300 3.293 3.175 3.358 0.058 1 0 "[ . 1 ]" 8
105 1 194 LEU O 1 213 LEU H 2.150 . 2.500 2.108 1.814 2.602 0.102 2 0 "[ . 1 ]" 8
106 1 194 LEU O 1 213 LEU N 2.900 2.500 3.300 2.796 2.457 3.272 0.043 8 0 "[ . 1 ]" 8
107 1 116 SER H 1 195 GLU O 2.150 . 2.500 1.949 1.786 2.335 0.014 5 0 "[ . 1 ]" 8
108 1 116 SER N 1 195 GLU O 2.900 2.500 3.300 2.851 2.616 3.078 . 0 0 "[ . 1 ]" 8
109 1 196 PHE O 1 211 ILE H 2.150 . 2.500 2.493 2.410 2.575 0.075 2 0 "[ . 1 ]" 8
110 1 196 PHE O 1 211 ILE N 2.900 2.500 3.300 3.315 3.042 3.422 0.122 2 0 "[ . 1 ]" 8
111 1 196 PHE H 1 211 ILE O 2.150 . 2.500 1.963 1.770 2.428 0.030 9 0 "[ . 1 ]" 8
112 1 196 PHE N 1 211 ILE O 2.900 2.500 3.300 2.822 2.600 3.203 . 0 0 "[ . 1 ]" 8
113 1 25 THR O 1 29 ASP H 2.150 . 2.500 2.006 1.762 2.470 0.038 7 0 "[ . 1 ]" 8
114 1 25 THR O 1 29 ASP N 2.900 2.500 3.300 2.767 2.579 3.303 0.003 2 0 "[ . 1 ]" 8
stop_
save_
save_distance_constraint_statistics_9
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 9
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 154.538
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0523
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0355
_Distance_constraint_stats_list.Viol_average_violations_only 0.0672
_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 38 PRO 0.715 0.136 8 0 "[ . 1 ]"
2 23 VAL 0.219 0.048 4 0 "[ . 1 ]"
2 24 SER 0.022 0.022 11 0 "[ . 1 ]"
2 25 HIS 0.400 0.108 10 0 "[ . 1 ]"
2 26 ILE 0.785 0.108 8 0 "[ . 1 ]"
2 27 LEU 0.219 0.048 4 0 "[ . 1 ]"
2 28 ASN 0.022 0.022 11 0 "[ . 1 ]"
2 29 VAL 0.400 0.108 10 0 "[ . 1 ]"
2 30 LEU 0.785 0.108 8 0 "[ . 1 ]"
2 39 VAL 0.043 0.022 2 0 "[ . 1 ]"
2 42 PHE 0.043 0.022 2 0 "[ . 1 ]"
2 52 ASP 0.528 0.081 11 0 "[ . 1 ]"
2 56 LYS 0.528 0.081 11 0 "[ . 1 ]"
2 64 TYR 0.715 0.136 8 0 "[ . 1 ]"
2 66 PRO 0.274 0.054 3 0 "[ . 1 ]"
2 67 THR 0.307 0.098 4 0 "[ . 1 ]"
2 68 PHE 1.447 0.217 11 0 "[ . 1 ]"
2 69 LEU 0.125 0.040 2 0 "[ . 1 ]"
2 70 LEU 0.539 0.088 8 0 "[ . 1 ]"
2 71 GLN 1.680 0.156 3 0 "[ . 1 ]"
2 72 PHE 1.800 0.217 11 0 "[ . 1 ]"
2 73 LYS 0.125 0.040 2 0 "[ . 1 ]"
2 74 ASP 0.265 0.088 8 0 "[ . 1 ]"
2 75 LYS 1.373 0.156 3 0 "[ . 1 ]"
2 76 LEU 0.353 0.100 8 0 "[ . 1 ]"
2 82 ALA 2.549 0.301 1 0 "[ . 1 ]"
2 83 GLU 1.077 0.169 11 0 "[ . 1 ]"
2 84 TRP 1.321 0.242 4 0 "[ . 1 ]"
2 85 VAL 2.247 0.188 10 0 "[ . 1 ]"
2 86 GLN 2.549 0.301 1 0 "[ . 1 ]"
2 87 SER 1.077 0.169 11 0 "[ . 1 ]"
2 88 THR 1.321 0.242 4 0 "[ . 1 ]"
2 89 ALA 2.247 0.188 10 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 2 23 VAL O 2 27 LEU H 2.150 . 2.500 1.869 1.752 2.205 0.048 4 0 "[ . 1 ]" 9
2 2 23 VAL O 2 27 LEU N 2.900 2.500 3.300 2.757 2.542 3.050 . 0 0 "[ . 1 ]" 9
3 2 24 SER O 2 28 ASN H 2.150 . 2.500 2.171 1.885 2.427 . 0 0 "[ . 1 ]" 9
4 2 24 SER O 2 28 ASN N 2.900 2.500 3.300 3.045 2.715 3.322 0.022 11 0 "[ . 1 ]" 9
5 2 25 HIS O 2 29 VAL H 2.150 . 2.500 2.414 2.148 2.536 0.036 1 0 "[ . 1 ]" 9
6 2 25 HIS O 2 29 VAL N 2.900 2.500 3.300 3.272 3.022 3.408 0.108 10 0 "[ . 1 ]" 9
7 2 26 ILE O 2 30 LEU H 2.150 . 2.500 2.360 1.784 2.601 0.101 8 0 "[ . 1 ]" 9
8 2 26 ILE O 2 30 LEU N 2.900 2.500 3.300 3.200 2.608 3.408 0.108 8 0 "[ . 1 ]" 9
9 2 39 VAL O 2 42 PHE H 2.150 . 2.500 1.842 1.778 1.970 0.022 2 0 "[ . 1 ]" 9
10 2 39 VAL O 2 42 PHE N 2.900 2.500 3.300 2.746 2.644 2.867 . 0 0 "[ . 1 ]" 9
11 2 52 ASP O 2 56 LYS H 2.150 . 2.500 2.498 2.378 2.563 0.063 5 0 "[ . 1 ]" 9
12 2 52 ASP O 2 56 LYS N 2.900 2.500 3.300 3.288 3.163 3.381 0.081 11 0 "[ . 1 ]" 9
13 2 66 PRO O 2 70 LEU H 2.150 . 2.500 2.287 1.783 2.554 0.054 3 0 "[ . 1 ]" 9
14 2 66 PRO O 2 70 LEU N 2.900 2.500 3.300 3.016 2.475 3.336 0.036 1 0 "[ . 1 ]" 9
15 2 67 THR O 2 71 GLN H 2.150 . 2.500 2.424 2.124 2.529 0.029 3 0 "[ . 1 ]" 9
16 2 67 THR O 2 71 GLN N 2.900 2.500 3.300 3.272 3.002 3.398 0.098 4 0 "[ . 1 ]" 9
17 2 68 PHE O 2 72 PHE H 2.150 . 2.500 2.485 2.273 2.601 0.101 11 0 "[ . 1 ]" 9
18 2 68 PHE O 2 72 PHE N 2.900 2.500 3.300 3.398 3.187 3.517 0.217 11 0 "[ . 1 ]" 9
19 2 69 LEU O 2 73 LYS H 2.150 . 2.500 2.353 2.145 2.472 . 0 0 "[ . 1 ]" 9
20 2 69 LEU O 2 73 LYS N 2.900 2.500 3.300 3.269 3.086 3.340 0.040 2 0 "[ . 1 ]" 9
21 2 70 LEU O 2 74 ASP H 2.150 . 2.500 2.348 2.085 2.496 . 0 0 "[ . 1 ]" 9
22 2 70 LEU O 2 74 ASP N 2.900 2.500 3.300 3.273 3.061 3.388 0.088 8 0 "[ . 1 ]" 9
23 2 71 GLN O 2 75 LYS H 2.150 . 2.500 2.507 2.423 2.554 0.054 3 0 "[ . 1 ]" 9
24 2 71 GLN O 2 75 LYS N 2.900 2.500 3.300 3.403 3.285 3.456 0.156 3 0 "[ . 1 ]" 9
25 2 72 PHE O 2 76 LEU H 2.150 . 2.500 1.790 1.700 1.892 0.100 8 0 "[ . 1 ]" 9
26 2 72 PHE O 2 76 LEU N 2.900 2.500 3.300 2.599 2.494 2.748 0.006 3 0 "[ . 1 ]" 9
27 2 82 ALA O 2 86 GLN H 2.150 . 2.500 2.554 2.447 2.664 0.164 10 0 "[ . 1 ]" 9
28 2 82 ALA O 2 86 GLN N 2.900 2.500 3.300 3.472 3.358 3.601 0.301 1 0 "[ . 1 ]" 9
29 2 83 GLU O 2 87 SER H 2.150 . 2.500 2.362 1.694 2.638 0.138 10 0 "[ . 1 ]" 9
30 2 83 GLU O 2 87 SER N 2.900 2.500 3.300 3.223 2.625 3.469 0.169 11 0 "[ . 1 ]" 9
31 2 84 TRP O 2 88 THR H 2.150 . 2.500 1.787 1.558 2.247 0.242 4 0 "[ . 1 ]" 9
32 2 84 TRP O 2 88 THR N 2.900 2.500 3.300 2.481 2.388 2.718 0.112 1 0 "[ . 1 ]" 9
33 2 85 VAL O 2 89 ALA H 2.150 . 2.500 2.584 2.518 2.635 0.135 2 0 "[ . 1 ]" 9
34 2 85 VAL O 2 89 ALA N 2.900 2.500 3.300 3.419 3.278 3.488 0.188 10 0 "[ . 1 ]" 9
35 1 38 PRO O 2 64 TYR HH 2.150 . 2.500 2.264 1.827 2.590 0.090 7 0 "[ . 1 ]" 9
36 1 38 PRO O 2 64 TYR OH 2.900 2.500 3.300 2.533 2.364 3.360 0.136 8 0 "[ . 1 ]" 9
stop_
save_
save_distance_constraint_statistics_10
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 10
_Distance_constraint_stats_list.Constraint_count 8
_Distance_constraint_stats_list.Viol_count 50
_Distance_constraint_stats_list.Viol_total 57.262
_Distance_constraint_stats_list.Viol_max 0.261
_Distance_constraint_stats_list.Viol_rms 0.0767
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0592
_Distance_constraint_stats_list.Viol_average_violations_only 0.1041
_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 44 THR 0.800 0.143 4 0 "[ . 1 ]"
1 45 LEU 4.406 0.261 10 0 "[ . 1 ]"
1 65 VAL 4.406 0.261 10 0 "[ . 1 ]"
1 96 PHE 0.800 0.143 4 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 44 THR O 1 96 PHE H 2.150 . 2.500 2.473 2.377 2.567 0.067 4 0 "[ . 1 ]" 10
2 1 44 THR O 1 96 PHE N 2.900 2.500 3.300 3.352 3.276 3.443 0.143 4 0 "[ . 1 ]" 10
3 1 45 LEU O 1 65 VAL H 2.150 . 2.500 1.737 1.609 1.868 0.191 3 0 "[ . 1 ]" 10
4 1 45 LEU O 1 65 VAL N 2.900 2.500 3.300 2.476 2.388 2.611 0.112 4 0 "[ . 1 ]" 10
5 1 45 LEU H 1 65 VAL O 2.150 . 2.500 2.589 2.404 2.756 0.256 9 0 "[ . 1 ]" 10
6 1 45 LEU N 1 65 VAL O 2.900 2.500 3.300 3.473 3.358 3.561 0.261 10 0 "[ . 1 ]" 10
7 1 44 THR H 1 96 PHE O 2.150 . 2.500 2.097 1.829 2.378 . 0 0 "[ . 1 ]" 10
8 1 44 THR N 1 96 PHE O 2.900 2.500 3.300 3.020 2.753 3.340 0.040 5 0 "[ . 1 ]" 10
stop_
save_
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