NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
366366 |
2kjg   |
16320 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kjg
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 254
_Distance_constraint_stats_list.Viol_count 144
_Distance_constraint_stats_list.Viol_total 89.679
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0311
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.091 0.031 14 0 "[ . 1 . 2]"
1 6 ASP 0.060 0.026 8 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.263 0.045 8 0 "[ . 1 . 2]"
1 12 LEU 0.451 0.054 14 0 "[ . 1 . 2]"
1 13 ARG 0.264 0.054 14 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.432 0.089 13 0 "[ . 1 . 2]"
1 16 LYS 0.350 0.138 15 0 "[ . 1 . 2]"
1 17 GLY 0.782 0.138 15 0 "[ . 1 . 2]"
1 18 LYS 0.634 0.089 13 0 "[ . 1 . 2]"
1 19 VAL 0.460 0.067 11 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 0.136 0.082 4 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.112 0.052 14 0 "[ . 1 . 2]"
1 24 VAL 0.075 0.047 17 0 "[ . 1 . 2]"
1 25 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.202 0.059 14 0 "[ . 1 . 2]"
1 27 ILE 0.565 0.067 11 0 "[ . 1 . 2]"
1 28 LEU 0.094 0.047 17 0 "[ . 1 . 2]"
1 29 ASP 0.202 0.059 14 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.018 0.011 12 0 "[ . 1 . 2]"
1 32 GLU 0.034 0.034 14 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.384 0.091 13 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.598 0.134 19 0 "[ . 1 . 2]"
1 40 ASN 0.982 0.134 19 0 "[ . 1 . 2]"
1 41 ILE 0.314 0.094 7 0 "[ . 1 . 2]"
1 42 LYS 0.168 0.094 7 0 "[ . 1 . 2]"
1 43 THR 0.598 0.134 19 0 "[ . 1 . 2]"
1 44 SER 0.598 0.134 19 0 "[ . 1 . 2]"
1 45 ILE 0.035 0.011 12 0 "[ . 1 . 2]"
1 46 ILE 0.168 0.094 7 0 "[ . 1 . 2]"
1 47 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 TYR 0.034 0.034 14 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.128 0.055 3 0 "[ . 1 . 2]"
1 52 HIS 0.127 0.052 14 0 "[ . 1 . 2]"
1 53 LEU 0.688 0.091 13 0 "[ . 1 . 2]"
1 54 ASP 0.062 0.062 19 0 "[ . 1 . 2]"
1 55 GLU 0.505 0.067 11 0 "[ . 1 . 2]"
1 56 ILE 0.176 0.066 5 0 "[ . 1 . 2]"
1 57 ARG 0.445 0.091 13 0 "[ . 1 . 2]"
1 58 LYS 0.062 0.062 19 0 "[ . 1 . 2]"
1 59 ASN 0.231 0.059 14 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.264 0.059 14 0 "[ . 1 . 2]"
1 62 PHE 0.048 0.028 19 0 "[ . 1 . 2]"
1 63 TYR 0.176 0.066 5 0 "[ . 1 . 2]"
1 64 ASP 0.028 0.028 19 0 "[ . 1 . 2]"
1 65 MET 0.020 0.020 9 0 "[ . 1 . 2]"
1 66 ILE 0.020 0.020 9 0 "[ . 1 . 2]"
1 67 ALA 0.017 0.009 3 0 "[ . 1 . 2]"
1 68 GLU 0.050 0.043 19 0 "[ . 1 . 2]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.163 0.038 8 0 "[ . 1 . 2]"
1 71 GLN 0.043 0.043 19 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.018 0.011 12 0 "[ . 1 . 2]"
1 74 TYR 0.208 0.047 20 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 0.045 0.024 9 0 "[ . 1 . 2]"
1 79 ILE 0.353 0.047 20 0 "[ . 1 . 2]"
1 80 GLU 0.034 0.034 14 0 "[ . 1 . 2]"
1 81 ASN 0.045 0.024 9 0 "[ . 1 . 2]"
1 82 VAL 0.270 0.047 20 0 "[ . 1 . 2]"
1 83 ASN 0.036 0.036 17 0 "[ . 1 . 2]"
1 84 GLN 0.043 0.043 19 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.036 0.036 17 0 "[ . 1 . 2]"
1 87 LEU 0.058 0.047 17 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 THR 0.264 0.054 14 0 "[ . 1 . 2]"
1 90 ILE 0.352 0.138 15 0 "[ . 1 . 2]"
1 91 LYS 0.136 0.082 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 48 VAL QG 1 49 TYR H 3.150 . 4.500 3.180 3.121 3.246 . 0 0 "[ . 1 . 2]" 1
2 1 70 LEU H 1 70 LEU HA 2.650 . 3.500 2.716 2.700 2.729 . 0 0 "[ . 1 . 2]" 1
3 1 27 ILE MG 1 28 LEU H 2.650 . 3.500 3.123 3.066 3.211 . 0 0 "[ . 1 . 2]" 1
4 1 53 LEU HG 1 54 ASP H 3.650 . 5.500 4.029 3.928 4.106 . 0 0 "[ . 1 . 2]" 1
5 1 40 ASN H 1 43 THR HB 3.650 . 5.500 3.704 2.236 4.686 . 0 0 "[ . 1 . 2]" 1
6 1 10 VAL H 1 10 VAL HA 2.300 . 2.800 2.629 2.603 2.656 . 0 0 "[ . 1 . 2]" 1
7 1 38 SER QB 1 40 ASN H 3.150 . 4.500 3.319 2.554 3.710 . 0 0 "[ . 1 . 2]" 1
8 1 26 GLN HA 1 27 ILE H 2.650 . 3.500 2.952 2.932 2.988 . 0 0 "[ . 1 . 2]" 1
9 1 9 PHE HB3 1 10 VAL H 2.650 . 3.500 2.562 2.439 2.668 . 0 0 "[ . 1 . 2]" 1
10 1 20 ASN HB3 1 22 ASN H 2.650 . 3.500 3.155 2.410 3.255 . 0 0 "[ . 1 . 2]" 1
11 1 26 GLN HG3 1 27 ILE H 3.150 . 4.500 4.185 3.937 4.432 . 0 0 "[ . 1 . 2]" 1
12 1 68 GLU HB3 1 69 ILE H 3.150 . 4.500 2.091 1.912 2.401 . 0 0 "[ . 1 . 2]" 1
13 1 27 ILE H 1 30 GLU HB2 3.150 . 4.500 3.465 3.325 3.618 . 0 0 "[ . 1 . 2]" 1
14 1 27 ILE H 1 28 LEU MD2 3.150 . 4.500 4.018 3.246 4.207 . 0 0 "[ . 1 . 2]" 1
15 1 23 LEU MD1 1 27 ILE H 2.650 . 3.500 2.933 2.535 3.270 . 0 0 "[ . 1 . 2]" 1
16 1 33 LEU H 1 33 LEU HB3 2.300 . 2.800 2.648 2.580 2.735 . 0 0 "[ . 1 . 2]" 1
17 1 33 LEU H 1 33 LEU HB2 2.650 . 3.500 3.339 3.305 3.361 . 0 0 "[ . 1 . 2]" 1
18 1 33 LEU H 1 33 LEU QD 2.300 . 2.800 2.291 2.173 2.409 . 0 0 "[ . 1 . 2]" 1
19 1 33 LEU H 1 79 ILE MG 3.650 . 5.500 4.797 4.662 4.931 . 0 0 "[ . 1 . 2]" 1
20 1 24 VAL H 1 24 VAL HA 2.300 . 2.800 2.706 2.683 2.728 . 0 0 "[ . 1 . 2]" 1
21 1 20 ASN HB3 1 24 VAL H 2.650 . 3.500 2.535 2.191 3.257 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLU QG 1 6 ASP H 3.150 . 4.500 4.105 3.216 4.526 0.026 8 0 "[ . 1 . 2]" 1
23 1 10 VAL HA 1 11 LYS H 2.650 . 3.500 2.881 2.805 2.943 . 0 0 "[ . 1 . 2]" 1
24 1 11 LYS H 1 11 LYS QE 3.400 . 5.000 3.553 3.079 3.955 . 0 0 "[ . 1 . 2]" 1
25 1 11 LYS H 1 11 LYS HB3 2.650 . 3.500 3.226 3.140 3.331 . 0 0 "[ . 1 . 2]" 1
26 1 11 LYS H 1 11 LYS HB2 2.300 . 2.800 2.277 2.201 2.350 . 0 0 "[ . 1 . 2]" 1
27 1 11 LYS H 1 11 LYS HG3 2.650 . 3.500 2.453 2.143 3.545 0.045 8 0 "[ . 1 . 2]" 1
28 1 11 LYS H 1 11 LYS HG2 2.650 . 3.500 3.323 2.041 3.542 0.042 4 0 "[ . 1 . 2]" 1
29 1 54 ASP HA 1 56 ILE H 2.650 . 3.500 3.357 3.304 3.418 . 0 0 "[ . 1 . 2]" 1
30 1 88 THR HA 1 89 THR H 2.650 . 2.800 2.706 2.676 2.748 . 0 0 "[ . 1 . 2]" 1
31 1 66 ILE HA 1 67 ALA H 3.150 . 4.500 3.349 3.305 3.385 . 0 0 "[ . 1 . 2]" 1
32 1 67 ALA H 1 67 ALA HA 2.300 . 2.800 2.685 2.669 2.708 . 0 0 "[ . 1 . 2]" 1
33 1 68 GLU H 1 68 GLU QG 2.900 . 4.000 3.586 2.036 4.007 0.007 1 0 "[ . 1 . 2]" 1
34 1 8 GLU HB2 1 9 PHE H 2.300 . 2.800 2.090 1.810 2.354 . 0 0 "[ . 1 . 2]" 1
35 1 67 ALA H 1 70 LEU MD1 3.150 . 4.500 3.589 3.473 3.693 . 0 0 "[ . 1 . 2]" 1
36 1 67 ALA H 1 67 ALA MB 2.300 . 2.800 2.101 2.076 2.133 . 0 0 "[ . 1 . 2]" 1
37 1 45 ILE MD 1 46 ILE H 3.150 . 4.500 3.883 3.771 3.984 . 0 0 "[ . 1 . 2]" 1
38 1 13 ARG H 1 13 ARG HA 2.300 . 2.800 2.718 2.690 2.744 . 0 0 "[ . 1 . 2]" 1
39 1 12 LEU HA 1 13 ARG H 2.650 . 3.500 2.938 2.902 2.966 . 0 0 "[ . 1 . 2]" 1
40 1 59 ASN H 1 59 ASN HA 2.650 . 3.500 2.841 2.812 2.884 . 0 0 "[ . 1 . 2]" 1
41 1 59 ASN H 1 59 ASN HB3 2.650 . 3.500 2.963 2.644 3.309 . 0 0 "[ . 1 . 2]" 1
42 1 36 ARG HA 1 37 GLY H 2.300 . 2.800 2.640 2.017 2.736 . 0 0 "[ . 1 . 2]" 1
43 1 84 GLN H 1 84 GLN QG 2.300 . 2.800 2.144 2.097 2.183 . 0 0 "[ . 1 . 2]" 1
44 1 26 GLN H 1 26 GLN HG3 2.300 . 2.800 2.424 2.377 2.460 . 0 0 "[ . 1 . 2]" 1
45 1 84 GLN H 1 84 GLN QB 2.300 . 2.800 2.130 2.083 2.196 . 0 0 "[ . 1 . 2]" 1
46 1 77 ILE H 1 82 VAL MG2 2.650 . 3.500 3.458 3.341 3.524 0.024 9 0 "[ . 1 . 2]" 1
47 1 37 GLY H 1 79 ILE MG 3.150 . 4.500 3.452 2.886 4.180 . 0 0 "[ . 1 . 2]" 1
48 1 54 ASP HA 1 55 GLU H 2.650 . 3.500 2.734 2.636 2.765 . 0 0 "[ . 1 . 2]" 1
49 1 21 PHE QE 1 91 LYS QD 2.650 . 3.500 2.836 2.092 3.582 0.082 4 0 "[ . 1 . 2]" 1
50 1 23 LEU H 1 23 LEU HG 3.150 . 4.500 4.419 4.376 4.506 0.006 3 0 "[ . 1 . 2]" 1
51 1 23 LEU H 1 23 LEU MD2 3.400 . 5.000 3.573 3.238 4.129 . 0 0 "[ . 1 . 2]" 1
52 1 21 PHE QE 1 91 LYS QG 3.150 . 4.500 2.963 2.189 3.799 . 0 0 "[ . 1 . 2]" 1
53 1 21 PHE QE 1 90 ILE MD 2.650 . 3.500 3.207 2.919 3.501 0.001 3 0 "[ . 1 . 2]" 1
54 1 13 ARG HA 1 16 LYS H 3.150 . 4.500 3.144 2.857 3.336 . 0 0 "[ . 1 . 2]" 1
55 1 58 LYS H 1 58 LYS HA 2.550 . 3.300 2.798 2.761 2.838 . 0 0 "[ . 1 . 2]" 1
56 1 36 ARG H 1 36 ARG QD 3.150 . 4.500 3.411 2.344 4.139 . 0 0 "[ . 1 . 2]" 1
57 1 20 ASN HB3 1 23 LEU H 2.650 . 3.500 2.453 2.122 2.732 . 0 0 "[ . 1 . 2]" 1
58 1 52 HIS HB3 1 52 HIS HD2 3.650 . 5.500 3.674 3.648 3.718 . 0 0 "[ . 1 . 2]" 1
59 1 53 LEU H 1 53 LEU HG 2.300 . 2.800 2.124 1.841 2.286 . 0 0 "[ . 1 . 2]" 1
60 1 20 ASN HB3 1 20 ASN HD21 2.650 . 3.500 2.900 2.721 3.249 . 0 0 "[ . 1 . 2]" 1
61 1 24 VAL MG2 1 62 PHE QE 2.300 . 2.800 2.344 2.003 2.512 . 0 0 "[ . 1 . 2]" 1
62 1 62 PHE QE 1 90 ILE MG 2.300 . 2.800 2.096 1.816 2.379 . 0 0 "[ . 1 . 2]" 1
63 1 62 PHE QE 1 66 ILE MG 2.650 . 3.500 2.748 2.603 2.910 . 0 0 "[ . 1 . 2]" 1
64 1 70 LEU H 1 82 VAL MG1 3.150 . 4.500 3.579 3.450 3.721 . 0 0 "[ . 1 . 2]" 1
65 1 58 LYS QB 1 59 ASN HA 3.150 . 4.500 3.975 3.730 4.264 . 0 0 "[ . 1 . 2]" 1
66 1 89 THR HB 1 89 THR MG 2.300 . 2.800 2.129 2.112 2.166 . 0 0 "[ . 1 . 2]" 1
67 1 28 LEU MD1 1 29 ASP HA 2.650 . 3.500 2.168 2.031 2.636 . 0 0 "[ . 1 . 2]" 1
68 1 83 ASN HA 1 86 ILE MD 3.150 . 4.500 3.719 3.537 3.976 . 0 0 "[ . 1 . 2]" 1
69 1 15 PHE HA 1 18 LYS HD3 3.150 . 4.500 3.890 2.914 4.565 0.065 2 0 "[ . 1 . 2]" 1
70 1 7 PRO HA 1 7 PRO HG2 2.650 . 3.500 2.417 2.227 2.612 . 0 0 "[ . 1 . 2]" 1
71 1 12 LEU HA 1 15 PHE HB3 2.650 . 3.500 2.255 1.984 2.445 . 0 0 "[ . 1 . 2]" 1
72 1 15 PHE HA 1 18 LYS HD2 3.150 . 4.500 4.296 3.463 4.589 0.089 13 0 "[ . 1 . 2]" 1
73 1 23 LEU HA 1 23 LEU HB3 2.300 . 2.800 2.775 2.742 2.793 . 0 0 "[ . 1 . 2]" 1
74 1 8 GLU HA 1 12 LEU MD1 2.300 . 2.800 2.089 1.954 2.285 . 0 0 "[ . 1 . 2]" 1
75 1 16 LYS HA 1 90 ILE MG 2.300 . 2.800 2.675 2.272 2.938 0.138 15 0 "[ . 1 . 2]" 1
76 1 74 TYR HA 1 74 TYR HB2 2.300 . 2.800 2.105 1.945 2.248 . 0 0 "[ . 1 . 2]" 1
77 1 74 TYR HA 1 74 TYR HB3 2.650 . 3.500 2.760 2.593 2.850 . 0 0 "[ . 1 . 2]" 1
78 1 8 GLU HA 1 8 GLU HB2 2.300 . 2.800 2.265 2.129 2.310 . 0 0 "[ . 1 . 2]" 1
79 1 74 TYR HA 1 79 ILE HB 2.300 . 2.800 2.434 2.388 2.474 . 0 0 "[ . 1 . 2]" 1
80 1 68 GLU HA 1 68 GLU HG2 2.550 . 3.300 2.472 2.299 2.635 . 0 0 "[ . 1 . 2]" 1
81 1 28 LEU HA 1 79 ILE HG12 3.150 . 4.500 3.671 3.655 3.688 . 0 0 "[ . 1 . 2]" 1
82 1 7 PRO HD3 1 7 PRO HG2 2.300 . 2.800 2.046 2.021 2.130 . 0 0 "[ . 1 . 2]" 1
83 1 60 LYS HA 1 60 LYS QG 2.650 . 3.500 3.069 2.907 3.386 . 0 0 "[ . 1 . 2]" 1
84 1 74 TYR HA 1 82 VAL MG2 2.300 . 2.800 2.392 2.220 2.614 . 0 0 "[ . 1 . 2]" 1
85 1 49 TYR HA 1 56 ILE MG 2.650 . 3.500 3.100 2.887 3.207 . 0 0 "[ . 1 . 2]" 1
86 1 28 LEU HA 1 31 ILE MD 2.300 . 2.800 1.988 1.925 2.076 . 0 0 "[ . 1 . 2]" 1
87 1 49 TYR HA 1 56 ILE MD 2.300 . 2.800 2.557 2.335 2.744 . 0 0 "[ . 1 . 2]" 1
88 1 30 GLU HA 1 33 LEU HG 2.300 . 2.800 2.253 2.059 2.709 . 0 0 "[ . 1 . 2]" 1
89 1 30 GLU HA 1 48 VAL MG2 2.300 . 2.800 2.002 1.911 2.158 . 0 0 "[ . 1 . 2]" 1
90 1 84 GLN HA 1 87 LEU MD1 2.300 . 2.800 2.450 2.353 2.541 . 0 0 "[ . 1 . 2]" 1
91 1 24 VAL MG1 1 28 LEU HA 2.550 . 3.300 3.220 3.065 3.347 0.047 17 0 "[ . 1 . 2]" 1
92 1 67 ALA HA 1 70 LEU MD1 2.300 . 2.800 2.098 1.988 2.250 . 0 0 "[ . 1 . 2]" 1
93 1 33 LEU HA 1 33 LEU MD2 2.300 . 2.800 2.084 2.045 2.110 . 0 0 "[ . 1 . 2]" 1
94 1 41 ILE MD 1 67 ALA HA 2.300 . 2.800 2.174 1.872 2.575 . 0 0 "[ . 1 . 2]" 1
95 1 53 LEU HA 1 56 ILE MG 2.650 . 3.500 3.192 3.032 3.360 . 0 0 "[ . 1 . 2]" 1
96 1 53 LEU HA 1 56 ILE HG12 2.650 . 3.500 1.872 1.816 1.980 . 0 0 "[ . 1 . 2]" 1
97 1 53 LEU HA 1 56 ILE MD 2.900 . 4.000 3.964 3.844 4.066 0.066 5 0 "[ . 1 . 2]" 1
98 1 41 ILE HA 1 41 ILE HG13 3.150 . 4.500 2.303 2.207 2.438 . 0 0 "[ . 1 . 2]" 1
99 1 38 SER QB 1 40 ASN HB2 3.650 . 5.500 4.899 3.308 5.634 0.134 19 0 "[ . 1 . 2]" 1
100 1 41 ILE MG 1 42 LYS HG2 2.900 . 4.000 3.733 3.050 4.094 0.094 7 0 "[ . 1 . 2]" 1
101 1 32 GLU HA 1 35 LEU HB2 3.150 . 4.500 3.304 3.097 3.637 . 0 0 "[ . 1 . 2]" 1
102 1 21 PHE HA 1 79 ILE HG13 3.650 . 5.500 3.717 3.201 4.348 . 0 0 "[ . 1 . 2]" 1
103 1 10 VAL HA 1 10 VAL HB 2.300 . 2.800 2.402 2.381 2.438 . 0 0 "[ . 1 . 2]" 1
104 1 74 TYR HB2 1 82 VAL MG2 2.300 . 2.800 2.427 2.367 2.459 . 0 0 "[ . 1 . 2]" 1
105 1 10 VAL HA 1 10 VAL MG1 2.300 . 2.800 2.328 2.281 2.379 . 0 0 "[ . 1 . 2]" 1
106 1 24 VAL HA 1 86 ILE MG 2.300 . 2.800 2.481 2.444 2.510 . 0 0 "[ . 1 . 2]" 1
107 1 82 VAL HA 1 86 ILE MD 2.300 . 2.800 2.074 2.052 2.107 . 0 0 "[ . 1 . 2]" 1
108 1 31 ILE HA 1 31 ILE HB . . 2.800 2.364 2.347 2.376 . 0 0 "[ . 1 . 2]" 1
109 1 31 ILE HA 1 48 VAL MG2 2.300 . 2.800 2.215 2.098 2.287 . 0 0 "[ . 1 . 2]" 1
110 1 62 PHE HA 1 65 MET HG2 3.650 . 5.500 5.295 5.029 5.520 0.020 9 0 "[ . 1 . 2]" 1
111 1 56 ILE HA 1 56 ILE HG12 2.650 . 3.500 3.085 3.018 3.141 . 0 0 "[ . 1 . 2]" 1
112 1 49 TYR HB2 1 56 ILE HG13 2.650 . 3.500 3.178 3.145 3.211 . 0 0 "[ . 1 . 2]" 1
113 1 57 ARG HA 1 57 ARG QD 3.150 . 4.500 3.554 2.956 3.836 . 0 0 "[ . 1 . 2]" 1
114 1 11 LYS QE 1 14 GLN HG2 3.150 . 4.500 2.476 1.939 2.913 . 0 0 "[ . 1 . 2]" 1
115 1 58 LYS QB 1 58 LYS QE 2.650 . 3.500 2.797 1.930 3.463 . 0 0 "[ . 1 . 2]" 1
116 1 18 LYS HD2 1 18 LYS QE 2.300 . 2.800 2.074 1.936 2.138 . 0 0 "[ . 1 . 2]" 1
117 1 18 LYS QE 1 18 LYS HG2 2.300 . 2.800 2.362 2.098 2.791 . 0 0 "[ . 1 . 2]" 1
118 1 59 ASN HB2 1 62 PHE HB3 2.650 . 3.500 2.891 2.764 3.183 . 0 0 "[ . 1 . 2]" 1
119 1 26 GLN HG3 1 29 ASP HB2 3.650 . 5.500 4.729 4.450 4.933 . 0 0 "[ . 1 . 2]" 1
120 1 31 ILE HA 1 34 ASP HB2 3.150 . 4.500 3.611 3.395 3.994 . 0 0 "[ . 1 . 2]" 1
121 1 49 TYR HB3 1 56 ILE MG 2.300 . 2.800 2.294 2.052 2.462 . 0 0 "[ . 1 . 2]" 1
122 1 30 GLU HB3 1 31 ILE HA 3.150 . 4.500 2.779 2.365 3.083 . 0 0 "[ . 1 . 2]" 1
123 1 30 GLU HA 1 30 GLU HB3 2.300 . 2.800 2.462 2.223 2.544 . 0 0 "[ . 1 . 2]" 1
124 1 68 GLU HA 1 71 GLN HG2 2.300 . 2.800 2.529 2.433 2.843 0.043 19 0 "[ . 1 . 2]" 1
125 1 30 GLU HB3 1 48 VAL QG 2.650 . 3.500 2.009 1.937 2.095 . 0 0 "[ . 1 . 2]" 1
126 1 52 HIS HB3 1 56 ILE MD 2.650 . 3.500 3.164 2.758 3.373 . 0 0 "[ . 1 . 2]" 1
127 1 61 GLU QG 1 62 PHE HA 2.300 . 2.800 2.436 2.389 2.495 . 0 0 "[ . 1 . 2]" 1
128 1 59 ASN HA 1 61 GLU QG 3.650 . 5.500 4.133 3.287 4.687 . 0 0 "[ . 1 . 2]" 1
129 1 32 GLU HA 1 32 GLU HB2 2.300 . 2.800 2.356 2.324 2.384 . 0 0 "[ . 1 . 2]" 1
130 1 32 GLU HB2 1 79 ILE HG12 3.150 . 4.500 3.499 2.973 3.958 . 0 0 "[ . 1 . 2]" 1
131 1 29 ASP HA 1 32 GLU HB2 2.650 . 3.500 3.271 3.029 3.479 . 0 0 "[ . 1 . 2]" 1
132 1 5 GLU HA 1 5 GLU QG 2.550 . 3.300 2.607 2.307 3.331 0.031 14 0 "[ . 1 . 2]" 1
133 1 26 GLN HA 1 26 GLN QB 2.300 . 2.800 2.226 2.095 2.290 . 0 0 "[ . 1 . 2]" 1
134 1 7 PRO HA 1 7 PRO HB3 2.300 . 2.800 2.244 2.223 2.259 . 0 0 "[ . 1 . 2]" 1
135 1 67 ALA HA 1 71 GLN HG3 3.150 . 4.500 4.053 3.937 4.204 . 0 0 "[ . 1 . 2]" 1
136 1 25 MET HB2 1 25 MET QG 2.300 . 2.800 2.105 2.001 2.157 . 0 0 "[ . 1 . 2]" 1
137 1 74 TYR HB3 1 79 ILE HG12 3.650 . 5.500 4.750 4.296 5.105 . 0 0 "[ . 1 . 2]" 1
138 1 31 ILE HB 1 41 ILE HG12 3.150 . 4.500 3.589 3.152 3.751 . 0 0 "[ . 1 . 2]" 1
139 1 30 GLU HB2 1 48 VAL MG2 2.300 . 2.800 2.095 1.877 2.140 . 0 0 "[ . 1 . 2]" 1
140 1 86 ILE HB 1 86 ILE MG 2.300 . 2.800 1.975 1.970 1.980 . 0 0 "[ . 1 . 2]" 1
141 1 31 ILE HB 1 45 ILE HA 2.650 . 3.500 3.051 2.844 3.181 . 0 0 "[ . 1 . 2]" 1
142 1 31 ILE HB 1 31 ILE MG 2.300 . 2.800 2.031 1.994 2.070 . 0 0 "[ . 1 . 2]" 1
143 1 86 ILE HB 1 86 ILE MD 2.300 . 2.800 2.100 2.096 2.104 . 0 0 "[ . 1 . 2]" 1
144 1 11 LYS HA 1 14 GLN QB 2.300 . 2.800 2.251 2.156 2.389 . 0 0 "[ . 1 . 2]" 1
145 1 58 LYS QB 1 59 ASN HB3 2.650 . 3.500 2.192 1.960 2.708 . 0 0 "[ . 1 . 2]" 1
146 1 35 LEU HB2 1 35 LEU MD2 2.300 . 2.800 2.095 2.035 2.265 . 0 0 "[ . 1 . 2]" 1
147 1 70 LEU HB2 1 79 ILE MD 2.300 . 2.800 2.399 2.379 2.418 . 0 0 "[ . 1 . 2]" 1
148 1 41 ILE MD 1 70 LEU HB2 2.300 . 2.800 2.731 2.468 2.838 0.038 8 0 "[ . 1 . 2]" 1
149 1 8 GLU HB3 1 8 GLU QG 2.300 . 2.800 2.325 2.268 2.365 . 0 0 "[ . 1 . 2]" 1
150 1 24 VAL HB 1 24 VAL MG1 2.300 . 2.800 1.952 1.912 1.969 . 0 0 "[ . 1 . 2]" 1
151 1 65 MET HB3 1 69 ILE MD 2.300 . 2.800 2.283 2.249 2.319 . 0 0 "[ . 1 . 2]" 1
152 1 9 PHE HA 1 12 LEU QB 2.300 . 2.800 2.484 2.333 2.645 . 0 0 "[ . 1 . 2]" 1
153 1 36 ARG HA 1 36 ARG QG 2.300 . 2.800 2.223 2.054 2.370 . 0 0 "[ . 1 . 2]" 1
154 1 12 LEU HA 1 12 LEU HB3 2.300 . 2.800 2.389 2.358 2.418 . 0 0 "[ . 1 . 2]" 1
155 1 12 LEU HB2 1 89 THR HB 3.150 . 4.500 4.383 4.025 4.554 0.054 14 0 "[ . 1 . 2]" 1
156 1 53 LEU HA 1 53 LEU HB2 2.300 . 2.800 2.634 2.591 2.669 . 0 0 "[ . 1 . 2]" 1
157 1 54 ASP HA 1 57 ARG QG 2.300 . 2.800 2.265 1.917 2.862 0.062 19 0 "[ . 1 . 2]" 1
158 1 18 LYS HD3 1 18 LYS HG2 2.300 . 2.800 2.194 2.052 2.285 . 0 0 "[ . 1 . 2]" 1
159 1 75 LYS HA 1 75 LYS HB2 2.550 . 3.300 2.481 1.884 2.952 . 0 0 "[ . 1 . 2]" 1
160 1 23 LEU MD2 1 23 LEU HG 2.300 . 2.800 1.989 1.974 2.008 . 0 0 "[ . 1 . 2]" 1
161 1 42 LYS HA 1 42 LYS HG3 2.650 . 3.500 2.557 2.195 2.887 . 0 0 "[ . 1 . 2]" 1
162 1 23 LEU HB3 1 23 LEU MD1 2.300 . 2.800 2.104 2.090 2.113 . 0 0 "[ . 1 . 2]" 1
163 1 23 LEU HB3 1 27 ILE MD 2.550 . 3.300 2.803 2.412 3.318 0.018 9 0 "[ . 1 . 2]" 1
164 1 4 LEU HA 1 4 LEU HB3 2.300 . 2.800 2.393 2.363 2.416 . 0 0 "[ . 1 . 2]" 1
165 1 48 VAL HA 1 48 VAL QG 2.300 . 2.800 2.116 2.094 2.127 . 0 0 "[ . 1 . 2]" 1
166 1 45 ILE HA 1 48 VAL QG 3.150 . 4.500 3.483 3.251 3.635 . 0 0 "[ . 1 . 2]" 1
167 1 27 ILE HA 1 48 VAL QG 2.650 . 3.500 2.202 1.975 2.454 . 0 0 "[ . 1 . 2]" 1
168 1 30 GLU HB3 1 48 VAL QG 3.650 . 5.500 2.007 1.935 2.091 . 0 0 "[ . 1 . 2]" 1
169 1 70 LEU HB3 1 79 ILE HA 2.550 . 3.300 3.116 3.089 3.132 . 0 0 "[ . 1 . 2]" 1
170 1 70 LEU HA 1 70 LEU HB3 2.300 . 2.800 1.928 1.855 2.038 . 0 0 "[ . 1 . 2]" 1
171 1 31 ILE HB 1 48 VAL MG2 3.150 . 4.500 3.600 3.490 3.697 . 0 0 "[ . 1 . 2]" 1
172 1 3 ILE HB 1 5 GLU HG2 2.650 . 3.500 2.581 2.145 3.302 . 0 0 "[ . 1 . 2]" 1
173 1 70 LEU HB3 1 74 TYR HB2 3.150 . 4.500 3.532 3.342 3.731 . 0 0 "[ . 1 . 2]" 1
174 1 74 TYR HB3 1 79 ILE MG 3.150 . 4.500 4.343 4.146 4.517 0.017 4 0 "[ . 1 . 2]" 1
175 1 70 LEU HB3 1 70 LEU HG 2.650 . 3.500 2.875 2.804 2.902 . 0 0 "[ . 1 . 2]" 1
176 1 31 ILE MD 1 41 ILE HG13 2.300 . 2.800 2.351 2.129 2.536 . 0 0 "[ . 1 . 2]" 1
177 1 41 ILE HG13 1 45 ILE HB 3.650 . 5.500 5.185 5.049 5.292 . 0 0 "[ . 1 . 2]" 1
178 1 24 VAL HA 1 24 VAL MG2 2.300 . 2.800 2.159 2.115 2.181 . 0 0 "[ . 1 . 2]" 1
179 1 3 ILE HA 1 3 ILE HG13 3.150 . 4.500 2.793 2.306 3.732 . 0 0 "[ . 1 . 2]" 1
180 1 12 LEU HB2 1 12 LEU MD2 2.300 . 2.800 2.144 2.114 2.162 . 0 0 "[ . 1 . 2]" 1
181 1 33 LEU HB2 1 33 LEU MD1 2.300 . 2.800 2.035 2.019 2.051 . 0 0 "[ . 1 . 2]" 1
182 1 51 SER HA 1 53 LEU QD 3.150 . 4.500 4.391 3.678 4.555 0.055 3 0 "[ . 1 . 2]" 1
183 1 53 LEU HA 1 53 LEU QD 2.300 . 2.800 2.040 2.003 2.103 . 0 0 "[ . 1 . 2]" 1
184 1 28 LEU HA 1 28 LEU MD1 2.300 . 2.800 1.998 1.953 2.053 . 0 0 "[ . 1 . 2]" 1
185 1 28 LEU MD1 1 83 ASN HA 2.300 . 2.800 2.176 2.031 2.836 0.036 17 0 "[ . 1 . 2]" 1
186 1 53 LEU HB3 1 53 LEU QD 2.300 . 2.800 2.091 2.075 2.108 . 0 0 "[ . 1 . 2]" 1
187 1 46 ILE MG 1 49 TYR HB2 3.150 . 4.500 3.627 3.524 3.794 . 0 0 "[ . 1 . 2]" 1
188 1 49 TYR HB3 1 53 LEU QD 3.150 . 4.500 2.569 2.362 2.732 . 0 0 "[ . 1 . 2]" 1
189 1 24 VAL HB 1 24 VAL MG1 2.300 . 2.800 2.091 2.087 2.100 . 0 0 "[ . 1 . 2]" 1
190 1 23 LEU QD 1 52 HIS HB3 3.150 . 4.500 2.896 2.161 3.978 . 0 0 "[ . 1 . 2]" 1
191 1 23 LEU HA 1 23 LEU QD 2.300 . 2.800 2.045 2.003 2.104 . 0 0 "[ . 1 . 2]" 1
192 1 31 ILE HB 1 31 ILE MD 2.300 . 2.800 2.003 1.995 2.009 . 0 0 "[ . 1 . 2]" 1
193 1 31 ILE MD 1 41 ILE HG13 2.300 . 2.800 2.558 2.259 2.659 . 0 0 "[ . 1 . 2]" 1
194 1 41 ILE MG 1 42 LYS HG3 2.900 . 4.000 3.623 2.890 4.041 0.041 11 0 "[ . 1 . 2]" 1
195 1 45 ILE MD 1 67 ALA MB 2.300 . 2.800 2.643 2.473 2.809 0.009 3 0 "[ . 1 . 2]" 1
196 1 31 ILE MG 1 44 SER HB3 2.650 . 3.500 3.071 2.511 3.480 . 0 0 "[ . 1 . 2]" 1
197 1 41 ILE MD 1 57 ARG HA 2.650 . 3.500 3.217 3.038 3.367 . 0 0 "[ . 1 . 2]" 1
198 1 35 LEU HB2 1 41 ILE MD 3.150 . 4.500 2.966 2.762 3.243 . 0 0 "[ . 1 . 2]" 1
199 1 19 VAL MG2 1 23 LEU HB2 3.650 . 5.500 5.028 4.843 5.336 . 0 0 "[ . 1 . 2]" 1
200 1 19 VAL MG2 1 55 GLU HG3 3.150 . 4.500 4.438 3.964 4.567 0.067 11 0 "[ . 1 . 2]" 1
201 1 27 ILE MD 1 30 GLU HB3 3.150 . 4.500 2.795 2.596 3.140 . 0 0 "[ . 1 . 2]" 1
202 1 11 LYS HA 1 11 LYS HG3 2.300 . 2.800 2.173 1.965 2.417 . 0 0 "[ . 1 . 2]" 1
203 1 45 ILE MD 1 45 ILE HG13 2.300 . 2.800 2.116 2.109 2.122 . 0 0 "[ . 1 . 2]" 1
204 1 19 VAL MG1 1 24 VAL MG2 2.650 . 3.500 3.038 2.598 3.517 0.017 14 0 "[ . 1 . 2]" 1
205 1 31 ILE HA 1 45 ILE HA 3.150 . 4.500 4.376 4.220 4.511 0.011 12 0 "[ . 1 . 2]" 1
206 1 32 GLU HG3 1 79 ILE MG 2.900 . 4.000 2.559 2.141 3.210 . 0 0 "[ . 1 . 2]" 1
207 1 10 VAL HA 1 13 ARG QG 2.550 . 3.300 2.578 1.830 3.002 . 0 0 "[ . 1 . 2]" 1
208 1 18 LYS HB2 1 29 ASP HB2 3.150 . 4.500 4.415 4.253 4.559 0.059 14 0 "[ . 1 . 2]" 1
209 1 66 ILE HA 1 66 ILE HG13 2.650 . 3.500 3.011 2.900 3.091 . 0 0 "[ . 1 . 2]" 1
210 1 66 ILE HB 1 66 ILE HG13 2.650 . 3.500 2.438 2.378 2.498 . 0 0 "[ . 1 . 2]" 1
211 1 41 ILE HG13 1 45 ILE MG 3.650 . 5.500 3.801 3.636 4.030 . 0 0 "[ . 1 . 2]" 1
212 1 68 GLU QG 1 69 ILE H 2.650 . 3.500 3.112 2.311 3.376 . 0 0 "[ . 1 . 2]" 1
213 1 68 GLU HA 1 68 GLU QG 2.650 . 3.500 3.055 2.854 3.368 . 0 0 "[ . 1 . 2]" 1
214 1 68 GLU QG 1 72 ARG HD2 3.650 . 5.500 3.657 2.079 5.167 . 0 0 "[ . 1 . 2]" 1
215 1 68 GLU QG 1 69 ILE HG13 3.150 . 4.500 3.295 2.407 3.710 . 0 0 "[ . 1 . 2]" 1
216 1 35 LEU HB3 1 40 ASN H 3.150 . 4.500 4.445 4.255 4.591 0.091 13 0 "[ . 1 . 2]" 1
217 1 31 ILE HA 1 35 LEU H 2.650 . 3.500 2.757 2.731 2.779 . 0 0 "[ . 1 . 2]" 1
218 1 31 ILE HA 1 31 ILE MG 2.300 . 2.800 2.311 2.240 2.352 . 0 0 "[ . 1 . 2]" 1
219 1 42 LYS QD 1 43 THR HA 3.150 . 4.500 3.985 3.386 4.199 . 0 0 "[ . 1 . 2]" 1
220 1 48 VAL HA 1 48 VAL MG1 2.300 . 2.800 2.402 2.332 2.423 . 0 0 "[ . 1 . 2]" 1
221 1 68 GLU H 1 69 ILE HA 3.650 . 5.500 4.249 4.181 4.346 . 0 0 "[ . 1 . 2]" 1
222 1 49 TYR QE 1 63 TYR HA 3.150 . 4.500 3.675 3.292 3.896 . 0 0 "[ . 1 . 2]" 1
223 1 62 PHE QE 1 63 TYR HA 3.650 . 5.500 4.346 4.002 4.668 . 0 0 "[ . 1 . 2]" 1
224 1 74 TYR HA 1 82 VAL HB 2.300 . 2.800 2.782 2.510 2.847 0.047 20 0 "[ . 1 . 2]" 1
225 1 31 ILE MG 1 41 ILE HA 2.650 . 3.500 2.178 1.921 2.397 . 0 0 "[ . 1 . 2]" 1
226 1 35 LEU HG 1 41 ILE HA 3.150 . 4.500 3.951 2.659 4.125 . 0 0 "[ . 1 . 2]" 1
227 1 56 ILE HA 1 59 ASN HB3 3.650 . 5.500 3.763 3.426 4.128 . 0 0 "[ . 1 . 2]" 1
228 1 32 GLU HB2 1 49 TYR HA 2.550 . 3.300 2.748 2.391 3.334 0.034 14 0 "[ . 1 . 2]" 1
229 1 61 GLU HA 1 64 ASP HB2 2.650 . 3.500 2.938 2.366 3.308 . 0 0 "[ . 1 . 2]" 1
230 1 70 LEU HA 1 71 GLN HB3 2.300 . 2.800 2.319 2.288 2.345 . 0 0 "[ . 1 . 2]" 1
231 1 21 PHE QE 1 22 ASN HA 3.650 . 5.500 3.310 3.250 3.372 . 0 0 "[ . 1 . 2]" 1
232 1 83 ASN HA 1 86 ILE HB 2.650 . 3.500 2.930 2.712 3.252 . 0 0 "[ . 1 . 2]" 1
233 1 35 LEU HB2 1 37 GLY HA2 3.650 . 5.500 4.245 3.848 5.117 . 0 0 "[ . 1 . 2]" 1
234 1 35 LEU HB2 1 37 GLY HA3 3.650 . 5.500 4.158 3.741 4.738 . 0 0 "[ . 1 . 2]" 1
235 1 70 LEU HB3 1 70 LEU MD2 2.650 . 3.500 2.176 2.090 2.240 . 0 0 "[ . 1 . 2]" 1
236 1 31 ILE MG 1 34 ASP HB3 3.650 . 5.500 4.325 3.991 4.530 . 0 0 "[ . 1 . 2]" 1
237 1 11 LYS QE 1 11 LYS HG2 2.300 . 2.800 1.986 1.904 2.073 . 0 0 "[ . 1 . 2]" 1
238 1 59 ASN HB2 1 59 ASN HD21 3.150 . 4.500 2.331 2.193 3.184 . 0 0 "[ . 1 . 2]" 1
239 1 9 PHE HB3 1 86 ILE MD 3.150 . 4.500 3.172 2.802 3.570 . 0 0 "[ . 1 . 2]" 1
240 1 59 ASN HB2 1 61 GLU QG 3.150 . 4.500 4.136 3.899 4.528 0.028 19 0 "[ . 1 . 2]" 1
241 1 8 GLU HB2 1 8 GLU QG 2.300 . 2.800 2.160 2.139 2.287 . 0 0 "[ . 1 . 2]" 1
242 1 8 GLU HA 1 8 GLU QG 2.900 . 4.000 3.008 2.345 3.122 . 0 0 "[ . 1 . 2]" 1
243 1 27 ILE MG 1 30 GLU QG 3.150 . 4.500 2.794 2.185 3.434 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU MD1 1 65 MET HB2 3.150 . 4.500 3.175 3.024 3.260 . 0 0 "[ . 1 . 2]" 1
245 1 60 LYS HB2 1 60 LYS QE 3.650 . 5.500 3.121 1.977 3.888 . 0 0 "[ . 1 . 2]" 1
246 1 62 PHE HA 1 65 MET HG3 3.650 . 5.500 4.273 3.963 4.582 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU QD 1 52 HIS HB2 3.650 . 5.500 3.407 3.034 3.741 . 0 0 "[ . 1 . 2]" 1
248 1 52 HIS HB3 1 56 ILE HG12 3.150 . 4.500 3.485 2.785 3.784 . 0 0 "[ . 1 . 2]" 1
249 1 81 ASN H 1 85 LEU MD1 3.650 . 5.500 4.914 4.677 5.065 . 0 0 "[ . 1 . 2]" 1
250 1 23 LEU MD1 1 27 ILE HA 3.150 . 4.500 3.947 3.342 4.552 0.052 14 0 "[ . 1 . 2]" 1
251 1 28 LEU HG 1 31 ILE MD 2.300 . 2.800 2.424 2.398 2.440 . 0 0 "[ . 1 . 2]" 1
252 1 23 LEU HB2 1 23 LEU QD 2.300 . 2.800 2.097 2.081 2.113 . 0 0 "[ . 1 . 2]" 1
253 1 46 ILE MG 1 50 SER QB 3.150 . 4.500 2.885 2.728 3.151 . 0 0 "[ . 1 . 2]" 1
254 1 49 TYR HA 1 53 LEU QD 2.300 . 2.800 2.096 1.945 2.223 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 877
_Distance_constraint_stats_list.Viol_count 846
_Distance_constraint_stats_list.Viol_total 425.352
_Distance_constraint_stats_list.Viol_max 0.183
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0251
_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 3 ILE 0.048 0.034 5 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.107 0.071 15 0 "[ . 1 . 2]"
1 6 ASP 0.055 0.034 5 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.090 0.090 19 0 "[ . 1 . 2]"
1 9 PHE 0.090 0.090 19 0 "[ . 1 . 2]"
1 10 VAL 0.013 0.010 4 0 "[ . 1 . 2]"
1 11 LYS 0.127 0.036 14 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.142 0.036 14 0 "[ . 1 . 2]"
1 15 PHE 0.255 0.072 1 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.023 0.021 12 0 "[ . 1 . 2]"
1 18 LYS 0.643 0.095 15 0 "[ . 1 . 2]"
1 19 VAL 0.386 0.052 6 0 "[ . 1 . 2]"
1 20 ASN 1.731 0.138 1 0 "[ . 1 . 2]"
1 21 PHE 0.608 0.056 3 0 "[ . 1 . 2]"
1 22 ASN 1.964 0.138 1 0 "[ . 1 . 2]"
1 23 LEU 0.472 0.110 13 0 "[ . 1 . 2]"
1 24 VAL 0.485 0.056 3 0 "[ . 1 . 2]"
1 25 MET 0.217 0.024 18 0 "[ . 1 . 2]"
1 26 GLN 0.561 0.051 4 0 "[ . 1 . 2]"
1 27 ILE 0.138 0.025 14 0 "[ . 1 . 2]"
1 28 LEU 0.630 0.102 17 0 "[ . 1 . 2]"
1 29 ASP 0.823 0.102 17 0 "[ . 1 . 2]"
1 30 GLU 1.556 0.085 5 0 "[ . 1 . 2]"
1 31 ILE 0.358 0.051 10 0 "[ . 1 . 2]"
1 32 GLU 0.772 0.071 13 0 "[ . 1 . 2]"
1 33 LEU 0.457 0.067 13 0 "[ . 1 . 2]"
1 34 ASP 0.026 0.025 17 0 "[ . 1 . 2]"
1 35 LEU 0.203 0.081 4 0 "[ . 1 . 2]"
1 36 ARG 0.262 0.043 14 0 "[ . 1 . 2]"
1 37 GLY 0.021 0.020 19 0 "[ . 1 . 2]"
1 38 SER 0.270 0.081 4 0 "[ . 1 . 2]"
1 39 ASP 0.019 0.014 2 0 "[ . 1 . 2]"
1 40 ASN 0.826 0.120 16 0 "[ . 1 . 2]"
1 41 ILE 0.297 0.047 5 0 "[ . 1 . 2]"
1 42 LYS 1.021 0.103 1 0 "[ . 1 . 2]"
1 43 THR 0.516 0.067 9 0 "[ . 1 . 2]"
1 44 SER 0.720 0.120 16 0 "[ . 1 . 2]"
1 45 ILE 0.314 0.071 18 0 "[ . 1 . 2]"
1 46 ILE 0.058 0.016 19 0 "[ . 1 . 2]"
1 47 TYR 0.442 0.032 4 0 "[ . 1 . 2]"
1 48 VAL 0.833 0.104 19 0 "[ . 1 . 2]"
1 49 TYR 0.677 0.064 16 0 "[ . 1 . 2]"
1 50 SER 0.375 0.104 19 0 "[ . 1 . 2]"
1 51 SER 0.016 0.010 11 0 "[ . 1 . 2]"
1 52 HIS 0.039 0.020 5 0 "[ . 1 . 2]"
1 53 LEU 0.614 0.064 11 0 "[ . 1 . 2]"
1 54 ASP 0.686 0.064 11 0 "[ . 1 . 2]"
1 55 GLU 0.192 0.110 13 0 "[ . 1 . 2]"
1 56 ILE 0.635 0.064 16 0 "[ . 1 . 2]"
1 57 ARG 0.417 0.055 16 0 "[ . 1 . 2]"
1 58 LYS 0.277 0.031 8 0 "[ . 1 . 2]"
1 59 ASN 0.658 0.149 1 0 "[ . 1 . 2]"
1 60 LYS 0.567 0.147 8 0 "[ . 1 . 2]"
1 61 GLU 1.474 0.112 3 0 "[ . 1 . 2]"
1 62 PHE 0.014 0.014 16 0 "[ . 1 . 2]"
1 63 TYR 0.988 0.149 1 0 "[ . 1 . 2]"
1 64 ASP 0.872 0.147 8 0 "[ . 1 . 2]"
1 65 MET 0.559 0.076 18 0 "[ . 1 . 2]"
1 66 ILE 0.411 0.052 13 0 "[ . 1 . 2]"
1 67 ALA 0.045 0.045 3 0 "[ . 1 . 2]"
1 68 GLU 0.444 0.047 4 0 "[ . 1 . 2]"
1 69 ILE 0.166 0.042 20 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.510 0.103 1 0 "[ . 1 . 2]"
1 72 ARG 0.956 0.085 7 0 "[ . 1 . 2]"
1 73 TYR 0.292 0.029 15 0 "[ . 1 . 2]"
1 74 TYR 0.417 0.082 6 0 "[ . 1 . 2]"
1 75 LYS 0.101 0.087 7 0 "[ . 1 . 2]"
1 76 LYS 0.101 0.087 7 0 "[ . 1 . 2]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 0.721 0.049 19 0 "[ . 1 . 2]"
1 79 ILE 0.271 0.094 9 0 "[ . 1 . 2]"
1 80 GLU 1.220 0.183 9 0 "[ . 1 . 2]"
1 81 ASN 1.381 0.097 11 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.131 0.071 13 0 "[ . 1 . 2]"
1 84 GLN 1.193 0.075 16 0 "[ . 1 . 2]"
1 85 LEU 0.035 0.035 19 0 "[ . 1 . 2]"
1 86 ILE 0.110 0.023 14 0 "[ . 1 . 2]"
1 87 LEU 0.817 0.075 16 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 THR 0.163 0.047 9 0 "[ . 1 . 2]"
1 90 ILE 0.339 0.088 14 0 "[ . 1 . 2]"
1 91 LYS 0.176 0.088 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 80 GLU H 1 82 VAL H 3.650 . 4.500 4.154 4.000 4.260 . 0 0 "[ . 1 . 2]" 2
2 1 8 GLU H 1 10 VAL H 3.650 . 5.500 4.037 3.835 4.305 . 0 0 "[ . 1 . 2]" 2
3 1 62 PHE H 1 64 ASP H 3.650 . 5.500 4.025 3.788 4.126 . 0 0 "[ . 1 . 2]" 2
4 1 61 GLU H 1 64 ASP H 3.650 . 5.500 4.614 4.469 4.697 . 0 0 "[ . 1 . 2]" 2
5 1 67 ALA H 1 70 LEU H 3.650 . 5.500 4.663 4.553 4.720 . 0 0 "[ . 1 . 2]" 2
6 1 74 TYR H 1 75 LYS H 3.650 . 4.500 2.509 2.426 2.594 . 0 0 "[ . 1 . 2]" 2
7 1 68 GLU H 1 70 LEU H 3.650 . 5.500 4.090 3.931 4.212 . 0 0 "[ . 1 . 2]" 2
8 1 84 GLN H 1 86 ILE H 3.650 . 5.500 4.134 4.021 4.267 . 0 0 "[ . 1 . 2]" 2
9 1 61 GLU H 1 63 TYR H 3.650 . 5.500 4.150 4.005 4.272 . 0 0 "[ . 1 . 2]" 2
10 1 25 MET H 1 28 LEU H 3.650 . 5.500 4.825 4.738 4.995 . 0 0 "[ . 1 . 2]" 2
11 1 48 VAL H 1 50 SER H 3.150 . 4.500 4.051 3.850 4.160 . 0 0 "[ . 1 . 2]" 2
12 1 83 ASN H 1 85 LEU H 3.150 . 4.500 4.124 3.994 4.191 . 0 0 "[ . 1 . 2]" 2
13 1 53 LEU H 1 54 ASP H 3.650 . 5.500 2.957 2.862 3.119 . 0 0 "[ . 1 . 2]" 2
14 1 90 ILE H 1 91 LYS H 3.650 . 5.500 2.415 2.292 2.546 . 0 0 "[ . 1 . 2]" 2
15 1 36 ARG H 1 38 SER H 3.650 . 5.500 4.526 3.870 5.543 0.043 14 0 "[ . 1 . 2]" 2
16 1 21 PHE H 1 22 ASN H 3.650 . 4.500 2.745 2.580 2.931 . 0 0 "[ . 1 . 2]" 2
17 1 66 ILE H 1 69 ILE H 3.650 . 5.500 4.840 4.672 4.959 . 0 0 "[ . 1 . 2]" 2
18 1 43 THR H 1 45 ILE H 3.650 . 5.500 3.938 3.810 4.157 . 0 0 "[ . 1 . 2]" 2
19 1 72 ARG H 1 74 TYR H 3.650 . 5.500 4.047 3.913 4.242 . 0 0 "[ . 1 . 2]" 2
20 1 55 GLU H 1 57 ARG H 3.650 . 5.500 4.198 3.891 4.398 . 0 0 "[ . 1 . 2]" 2
21 1 50 SER H 1 52 HIS H 3.150 . 4.500 4.050 3.830 4.252 . 0 0 "[ . 1 . 2]" 2
22 1 70 LEU H 1 73 TYR H 3.650 . 5.500 4.731 4.623 4.832 . 0 0 "[ . 1 . 2]" 2
23 1 22 ASN H 1 24 VAL H 3.650 . 4.500 4.056 3.855 4.322 . 0 0 "[ . 1 . 2]" 2
24 1 71 GLN H 1 73 TYR H 3.650 . 5.500 4.191 4.046 4.355 . 0 0 "[ . 1 . 2]" 2
25 1 40 ASN H 1 42 LYS H 3.650 . 5.500 5.397 5.053 5.560 0.060 1 0 "[ . 1 . 2]" 2
26 1 4 LEU H 1 6 ASP H 3.650 . 5.500 4.422 4.199 4.736 . 0 0 "[ . 1 . 2]" 2
27 1 41 ILE H 1 42 LYS H 3.650 . 4.500 2.614 2.337 2.861 . 0 0 "[ . 1 . 2]" 2
28 1 89 THR H 1 91 LYS H 3.650 . 4.500 3.943 3.752 4.198 . 0 0 "[ . 1 . 2]" 2
29 1 46 ILE H 1 48 VAL H 3.650 . 5.500 4.459 4.260 4.560 . 0 0 "[ . 1 . 2]" 2
30 1 54 ASP H 1 56 ILE H 3.650 . 5.500 4.053 3.913 4.249 . 0 0 "[ . 1 . 2]" 2
31 1 6 ASP H 1 9 PHE H 3.650 . 5.500 4.847 4.604 5.101 . 0 0 "[ . 1 . 2]" 2
32 1 22 ASN H 1 22 ASN HD21 3.650 . 5.500 3.059 2.051 4.144 . 0 0 "[ . 1 . 2]" 2
33 1 79 ILE H 1 81 ASN H 3.650 . 5.500 4.241 3.624 4.352 . 0 0 "[ . 1 . 2]" 2
34 1 32 GLU H 1 83 ASN QD 3.150 . 4.500 4.002 3.456 4.571 0.071 13 0 "[ . 1 . 2]" 2
35 1 26 GLN H 1 28 LEU H 3.650 . 4.500 4.234 4.094 4.355 . 0 0 "[ . 1 . 2]" 2
36 1 81 ASN H 1 81 ASN HD22 3.650 . 5.500 4.406 3.446 5.503 0.003 11 0 "[ . 1 . 2]" 2
37 1 49 TYR H 1 51 SER H 3.650 . 5.500 3.976 3.857 4.114 . 0 0 "[ . 1 . 2]" 2
38 1 70 LEU H 1 73 TYR QD 3.650 . 5.500 5.268 4.982 5.484 . 0 0 "[ . 1 . 2]" 2
39 1 74 TYR QD 1 79 ILE H 3.650 . 5.500 2.763 1.991 3.753 . 0 0 "[ . 1 . 2]" 2
40 1 71 GLN H 1 74 TYR QD 3.650 . 5.500 4.972 4.345 5.422 . 0 0 "[ . 1 . 2]" 2
41 1 63 TYR QD 1 64 ASP H 3.650 . 5.500 4.613 4.499 4.717 . 0 0 "[ . 1 . 2]" 2
42 1 63 TYR QD 1 67 ALA H 3.650 . 5.500 5.111 4.699 5.545 0.045 3 0 "[ . 1 . 2]" 2
43 1 56 ILE H 1 63 TYR QD 3.650 . 5.500 4.884 4.600 5.021 . 0 0 "[ . 1 . 2]" 2
44 1 62 PHE H 1 63 TYR QD 3.650 . 5.500 4.489 4.271 5.070 . 0 0 "[ . 1 . 2]" 2
45 1 57 ARG H 1 63 TYR QD 3.650 . 5.500 5.362 5.099 5.531 0.031 7 0 "[ . 1 . 2]" 2
46 1 59 ASN HD21 1 63 TYR QD 3.650 . 5.500 4.636 3.919 5.415 . 0 0 "[ . 1 . 2]" 2
47 1 21 PHE H 1 21 PHE QD 3.650 . 5.500 4.178 4.103 4.236 . 0 0 "[ . 1 . 2]" 2
48 1 6 ASP H 1 9 PHE QD 3.650 . 5.500 4.513 4.244 4.988 . 0 0 "[ . 1 . 2]" 2
49 1 21 PHE QD 1 91 LYS H 3.650 . 5.500 4.567 3.776 5.472 . 0 0 "[ . 1 . 2]" 2
50 1 60 LYS H 1 63 TYR QD 3.650 . 5.500 4.414 3.895 4.586 . 0 0 "[ . 1 . 2]" 2
51 1 9 PHE QD 1 10 VAL H 3.650 . 5.500 3.520 3.368 3.724 . 0 0 "[ . 1 . 2]" 2
52 1 21 PHE QD 1 24 VAL H 3.650 . 5.500 5.503 5.378 5.556 0.056 3 0 "[ . 1 . 2]" 2
53 1 9 PHE H 1 9 PHE QD 3.650 . 5.500 4.191 4.134 4.230 . 0 0 "[ . 1 . 2]" 2
54 1 21 PHE QD 1 25 MET H 3.650 . 5.500 4.787 4.625 4.924 . 0 0 "[ . 1 . 2]" 2
55 1 47 TYR QD 1 48 VAL H 3.650 . 5.500 3.719 3.457 4.067 . 0 0 "[ . 1 . 2]" 2
56 1 47 TYR H 1 47 TYR QD 3.650 . 4.500 2.985 2.657 3.107 . 0 0 "[ . 1 . 2]" 2
57 1 42 LYS H 1 74 TYR QE 3.900 . 6.000 5.454 4.885 5.992 . 0 0 "[ . 1 . 2]" 2
58 1 74 TYR H 1 74 TYR QE 3.650 . 5.500 5.433 4.852 5.582 0.082 6 0 "[ . 1 . 2]" 2
59 1 74 TYR QE 1 75 LYS H 3.650 . 5.500 4.499 4.090 4.788 . 0 0 "[ . 1 . 2]" 2
60 1 84 GLN HE22 1 87 LEU H 3.650 . 5.500 5.323 4.998 5.487 . 0 0 "[ . 1 . 2]" 2
61 1 73 TYR H 1 73 TYR QE 3.650 . 5.500 4.821 4.552 4.989 . 0 0 "[ . 1 . 2]" 2
62 1 9 PHE QE 1 86 ILE H 3.650 . 5.500 4.459 3.817 5.028 . 0 0 "[ . 1 . 2]" 2
63 1 48 VAL H 1 49 TYR QD 3.650 . 5.500 4.165 3.841 4.517 . 0 0 "[ . 1 . 2]" 2
64 1 84 GLN HE22 1 85 LEU H 3.900 . 6.000 5.554 5.084 6.035 0.035 19 0 "[ . 1 . 2]" 2
65 1 47 TYR H 1 47 TYR QE 3.650 . 5.500 4.262 4.140 4.367 . 0 0 "[ . 1 . 2]" 2
66 1 49 TYR QD 1 52 HIS H 3.650 . 5.500 5.289 5.097 5.492 . 0 0 "[ . 1 . 2]" 2
67 1 49 TYR QD 1 51 SER H 3.650 . 5.500 5.404 5.197 5.510 0.010 11 0 "[ . 1 . 2]" 2
68 1 49 TYR QD 1 50 SER H 3.650 . 5.500 4.394 4.321 4.460 . 0 0 "[ . 1 . 2]" 2
69 1 71 GLN H 1 71 GLN HE22 3.650 . 5.500 5.226 4.881 5.492 . 0 0 "[ . 1 . 2]" 2
70 1 60 LYS H 1 63 TYR QE 3.900 . 6.000 5.888 5.291 6.022 0.022 9 0 "[ . 1 . 2]" 2
71 1 56 ILE H 1 63 TYR QE 3.650 . 5.500 4.694 4.359 5.171 . 0 0 "[ . 1 . 2]" 2
72 1 63 TYR H 1 63 TYR QE 3.650 . 5.500 4.563 4.403 4.775 . 0 0 "[ . 1 . 2]" 2
73 1 59 ASN HD21 1 63 TYR QE 3.650 . 4.500 3.386 2.520 4.649 0.149 1 0 "[ . 1 . 2]" 2
74 1 59 ASN HD22 1 63 TYR QE 3.650 . 5.500 4.761 4.043 5.516 0.016 15 0 "[ . 1 . 2]" 2
75 1 49 TYR QE 1 64 ASP H 3.650 . 5.500 4.662 4.325 4.867 . 0 0 "[ . 1 . 2]" 2
76 1 49 TYR H 1 49 TYR QE 3.650 . 5.500 4.437 4.320 4.549 . 0 0 "[ . 1 . 2]" 2
77 1 49 TYR QE 1 67 ALA H 3.650 . 4.500 4.133 3.809 4.377 . 0 0 "[ . 1 . 2]" 2
78 1 62 PHE QD 1 64 ASP H 3.900 . 6.000 5.391 5.231 5.580 . 0 0 "[ . 1 . 2]" 2
79 1 58 LYS H 1 59 ASN HA 3.650 . 5.500 5.184 5.053 5.358 . 0 0 "[ . 1 . 2]" 2
80 1 59 ASN HA 1 63 TYR H 3.650 . 5.500 4.953 4.736 5.134 . 0 0 "[ . 1 . 2]" 2
81 1 59 ASN HA 1 59 ASN HD21 3.650 . 4.500 3.768 2.088 4.416 . 0 0 "[ . 1 . 2]" 2
82 1 59 ASN HA 1 59 ASN HD22 3.650 . 5.500 4.285 3.674 4.608 . 0 0 "[ . 1 . 2]" 2
83 1 52 HIS HA 1 55 GLU H 3.650 . 5.500 4.365 3.911 4.666 . 0 0 "[ . 1 . 2]" 2
84 1 52 HIS HA 1 56 ILE H 3.650 . 5.500 5.220 4.628 5.503 0.003 15 0 "[ . 1 . 2]" 2
85 1 6 ASP HA 1 8 GLU H 3.650 . 5.500 3.937 3.820 4.014 . 0 0 "[ . 1 . 2]" 2
86 1 64 ASP HA 1 66 ILE H 3.650 . 5.500 4.640 4.456 4.794 . 0 0 "[ . 1 . 2]" 2
87 1 81 ASN HA 1 85 LEU H 3.650 . 5.500 4.295 4.158 4.500 . 0 0 "[ . 1 . 2]" 2
88 1 44 SER HA 1 48 VAL H 3.650 . 5.500 4.503 4.335 4.677 . 0 0 "[ . 1 . 2]" 2
89 1 18 LYS HA 1 19 VAL H 3.150 . 4.500 2.958 2.604 3.277 . 0 0 "[ . 1 . 2]" 2
90 1 29 ASP HA 1 31 ILE H 3.650 . 5.500 4.623 4.522 4.789 . 0 0 "[ . 1 . 2]" 2
91 1 83 ASN HA 1 85 LEU H 3.650 . 5.500 4.503 4.371 4.645 . 0 0 "[ . 1 . 2]" 2
92 1 28 LEU H 1 29 ASP HA 3.650 . 5.500 5.276 5.202 5.340 . 0 0 "[ . 1 . 2]" 2
93 1 51 SER HA 1 53 LEU H 3.650 . 5.500 4.002 3.705 4.146 . 0 0 "[ . 1 . 2]" 2
94 1 33 LEU H 1 34 ASP HA 3.650 . 5.500 5.283 5.171 5.360 . 0 0 "[ . 1 . 2]" 2
95 1 42 LYS H 1 43 THR HB 3.650 . 5.500 4.945 4.666 5.100 . 0 0 "[ . 1 . 2]" 2
96 1 50 SER HA 1 53 LEU H 3.650 . 5.500 4.261 3.923 4.767 . 0 0 "[ . 1 . 2]" 2
97 1 6 ASP H 1 7 PRO HD3 3.650 . 5.500 4.486 4.354 4.600 . 0 0 "[ . 1 . 2]" 2
98 1 84 GLN HA 1 84 GLN HE22 3.650 . 5.500 3.892 3.180 4.090 . 0 0 "[ . 1 . 2]" 2
99 1 11 LYS HA 1 14 GLN HE21 3.650 . 5.500 2.244 1.855 3.356 . 0 0 "[ . 1 . 2]" 2
100 1 11 LYS HA 1 14 GLN HE22 3.650 . 5.500 3.161 2.704 3.871 . 0 0 "[ . 1 . 2]" 2
101 1 26 GLN HA 1 26 GLN HE21 3.650 . 5.500 4.851 4.676 4.967 . 0 0 "[ . 1 . 2]" 2
102 1 26 GLN HA 1 26 GLN HE22 3.900 . 6.000 5.933 5.841 6.028 0.028 4 0 "[ . 1 . 2]" 2
103 1 77 ILE H 1 78 GLY HA2 3.650 . 5.500 4.309 4.182 4.387 . 0 0 "[ . 1 . 2]" 2
104 1 53 LEU HA 1 55 GLU H 3.650 . 5.500 4.668 4.278 4.857 . 0 0 "[ . 1 . 2]" 2
105 1 53 LEU HA 1 54 ASP H 3.150 . 4.500 3.508 3.461 3.562 . 0 0 "[ . 1 . 2]" 2
106 1 43 THR HA 1 47 TYR H 3.650 . 5.500 4.672 4.180 4.906 . 0 0 "[ . 1 . 2]" 2
107 1 31 ILE H 1 44 SER HB3 3.650 . 5.500 5.168 4.764 5.508 0.008 13 0 "[ . 1 . 2]" 2
108 1 21 PHE HA 1 23 LEU H 3.650 . 5.500 4.258 4.157 4.422 . 0 0 "[ . 1 . 2]" 2
109 1 75 LYS HA 1 78 GLY H 3.650 . 5.500 5.012 4.685 5.235 . 0 0 "[ . 1 . 2]" 2
110 1 75 LYS HA 1 77 ILE H 3.900 . 6.000 5.025 4.724 5.214 . 0 0 "[ . 1 . 2]" 2
111 1 68 GLU H 1 69 ILE HA 3.650 . 5.500 5.271 5.181 5.363 . 0 0 "[ . 1 . 2]" 2
112 1 69 ILE HA 1 71 GLN H 3.650 . 5.500 4.483 4.387 4.636 . 0 0 "[ . 1 . 2]" 2
113 1 74 TYR HB2 1 79 ILE H 3.650 . 5.500 3.076 2.779 3.674 . 0 0 "[ . 1 . 2]" 2
114 1 23 LEU H 1 24 VAL HA 3.650 . 5.500 5.121 5.039 5.208 . 0 0 "[ . 1 . 2]" 2
115 1 10 VAL HA 1 13 ARG H 3.650 . 5.500 3.152 2.870 3.395 . 0 0 "[ . 1 . 2]" 2
116 1 31 ILE HA 1 44 SER H 3.900 . 6.000 5.824 5.405 6.019 0.019 20 0 "[ . 1 . 2]" 2
117 1 62 PHE HA 1 64 ASP H 3.650 . 5.500 4.448 4.331 4.579 . 0 0 "[ . 1 . 2]" 2
118 1 55 GLU H 1 56 ILE HA 3.900 . 6.000 5.128 5.033 5.370 . 0 0 "[ . 1 . 2]" 2
119 1 61 GLU H 1 62 PHE HA 3.650 . 5.500 5.225 5.030 5.302 . 0 0 "[ . 1 . 2]" 2
120 1 56 ILE HA 1 58 LYS H 3.650 . 5.500 4.349 4.017 4.727 . 0 0 "[ . 1 . 2]" 2
121 1 27 ILE HA 1 31 ILE H 3.650 . 5.500 4.177 3.928 4.448 . 0 0 "[ . 1 . 2]" 2
122 1 26 GLN H 1 27 ILE HA 3.650 . 5.500 5.253 5.166 5.334 . 0 0 "[ . 1 . 2]" 2
123 1 52 HIS HB2 1 53 LEU H 3.650 . 5.500 4.219 4.158 4.318 . 0 0 "[ . 1 . 2]" 2
124 1 52 HIS HB2 1 55 GLU H 3.650 . 5.500 5.034 4.686 5.502 0.002 13 0 "[ . 1 . 2]" 2
125 1 13 ARG H 1 13 ARG QD 3.650 . 5.500 3.953 3.179 4.550 . 0 0 "[ . 1 . 2]" 2
126 1 5 GLU H 1 6 ASP HB3 3.650 . 5.500 4.757 4.121 5.420 . 0 0 "[ . 1 . 2]" 2
127 1 31 ILE H 1 45 ILE HA 3.900 . 6.000 5.967 5.826 6.051 0.051 10 0 "[ . 1 . 2]" 2
128 1 45 ILE HA 1 49 TYR H 3.650 . 5.500 3.915 3.765 4.065 . 0 0 "[ . 1 . 2]" 2
129 1 73 TYR HB2 1 76 LYS H 3.650 . 5.500 5.218 5.111 5.337 . 0 0 "[ . 1 . 2]" 2
130 1 57 ARG H 1 57 ARG QD 3.650 . 5.500 3.971 3.703 4.521 . 0 0 "[ . 1 . 2]" 2
131 1 73 TYR HB2 1 77 ILE H 3.650 . 5.500 5.062 4.872 5.199 . 0 0 "[ . 1 . 2]" 2
132 1 45 ILE HA 1 46 ILE H 3.150 . 4.500 3.532 3.514 3.547 . 0 0 "[ . 1 . 2]" 2
133 1 20 ASN HB2 1 20 ASN HD22 3.650 . 5.500 3.482 3.458 3.509 . 0 0 "[ . 1 . 2]" 2
134 1 20 ASN HB2 1 24 VAL H 3.650 . 5.500 5.072 3.885 5.539 0.039 13 0 "[ . 1 . 2]" 2
135 1 42 LYS H 1 42 LYS QE 3.650 . 5.500 4.447 3.686 4.958 . 0 0 "[ . 1 . 2]" 2
136 1 11 LYS H 1 11 LYS QE 3.650 . 5.500 4.246 3.343 4.978 . 0 0 "[ . 1 . 2]" 2
137 1 18 LYS H 1 18 LYS QE 3.650 . 5.500 4.408 2.607 5.379 . 0 0 "[ . 1 . 2]" 2
138 1 8 GLU H 1 9 PHE HB3 3.650 . 5.500 4.535 4.333 4.771 . 0 0 "[ . 1 . 2]" 2
139 1 58 LYS H 1 58 LYS QE 3.900 . 6.000 5.025 4.172 5.998 . 0 0 "[ . 1 . 2]" 2
140 1 72 ARG H 1 72 ARG HD3 3.650 . 5.500 5.099 4.146 5.585 0.085 19 0 "[ . 1 . 2]" 2
141 1 26 GLN H 1 29 ASP HB2 3.650 . 5.500 4.872 4.716 5.082 . 0 0 "[ . 1 . 2]" 2
142 1 74 TYR HB3 1 79 ILE H 3.650 . 5.500 4.749 4.400 5.410 . 0 0 "[ . 1 . 2]" 2
143 1 40 ASN HB2 1 44 SER H 3.650 . 5.500 5.076 4.266 5.620 0.120 16 0 "[ . 1 . 2]" 2
144 1 40 ASN HB2 1 40 ASN HD22 3.650 . 5.500 3.530 3.437 4.033 . 0 0 "[ . 1 . 2]" 2
145 1 78 GLY H 1 81 ASN HB2 3.150 . 4.500 4.142 3.948 4.546 0.046 15 0 "[ . 1 . 2]" 2
146 1 30 GLU QG 1 31 ILE H 3.650 . 5.500 4.040 3.653 4.240 . 0 0 "[ . 1 . 2]" 2
147 1 80 GLU H 1 81 ASN HB2 3.650 . 5.500 4.734 4.556 4.849 . 0 0 "[ . 1 . 2]" 2
148 1 30 GLU QG 1 48 VAL H 3.650 . 5.500 5.113 4.625 5.576 0.076 5 0 "[ . 1 . 2]" 2
149 1 20 ASN HB3 1 24 VAL H 3.150 . 4.500 3.893 3.235 4.519 0.019 4 0 "[ . 1 . 2]" 2
150 1 20 ASN HB3 1 20 ASN HD22 3.650 . 4.500 3.838 3.730 4.049 . 0 0 "[ . 1 . 2]" 2
151 1 20 ASN HB3 1 22 ASN HD21 3.650 . 5.500 5.099 4.463 5.610 0.110 4 0 "[ . 1 . 2]" 2
152 1 26 GLN HE21 1 30 GLU QG 3.900 . 6.000 4.661 4.149 5.220 . 0 0 "[ . 1 . 2]" 2
153 1 26 GLN HE22 1 30 GLU QG 3.900 . 6.000 5.909 5.313 6.051 0.051 10 0 "[ . 1 . 2]" 2
154 1 22 ASN HB3 1 26 GLN H 3.650 . 5.500 5.125 4.871 5.551 0.051 4 0 "[ . 1 . 2]" 2
155 1 59 ASN HB3 1 61 GLU H 3.650 . 5.500 4.409 3.887 4.768 . 0 0 "[ . 1 . 2]" 2
156 1 73 TYR HB3 1 77 ILE H 3.650 . 5.500 3.648 3.461 3.784 . 0 0 "[ . 1 . 2]" 2
157 1 61 GLU H 1 64 ASP HB3 3.650 . 5.500 5.240 4.888 5.507 0.007 2 0 "[ . 1 . 2]" 2
158 1 40 ASN HB3 1 42 LYS H 3.650 . 5.500 3.553 2.735 4.549 . 0 0 "[ . 1 . 2]" 2
159 1 34 ASP HB3 1 44 SER H 3.900 . 6.000 5.357 4.839 6.025 0.025 17 0 "[ . 1 . 2]" 2
160 1 84 GLN QG 1 85 LEU H 3.650 . 5.500 4.375 3.511 4.513 . 0 0 "[ . 1 . 2]" 2
161 1 30 GLU HB3 1 48 VAL H 3.650 . 5.500 5.446 4.952 5.529 0.029 12 0 "[ . 1 . 2]" 2
162 1 52 HIS HB3 1 53 LEU H 3.650 . 5.500 4.445 4.357 4.492 . 0 0 "[ . 1 . 2]" 2
163 1 79 ILE H 1 80 GLU QG 3.650 . 5.500 4.585 3.971 5.594 0.094 9 0 "[ . 1 . 2]" 2
164 1 25 MET QG 1 28 LEU H 3.650 . 5.500 5.279 5.026 5.518 0.018 7 0 "[ . 1 . 2]" 2
165 1 14 GLN HE22 1 14 GLN HG3 3.650 . 5.500 3.598 3.462 4.051 . 0 0 "[ . 1 . 2]" 2
166 1 90 ILE HB 1 91 LYS H 3.650 . 4.500 3.968 3.621 4.224 . 0 0 "[ . 1 . 2]" 2
167 1 84 GLN QB 1 84 GLN HE21 3.650 . 5.500 3.609 3.526 3.675 . 0 0 "[ . 1 . 2]" 2
168 1 61 GLU HB3 1 64 ASP H 3.650 . 5.500 5.519 5.346 5.612 0.112 3 0 "[ . 1 . 2]" 2
169 1 77 ILE HB 1 81 ASN HD22 3.650 . 5.500 4.096 3.300 4.717 . 0 0 "[ . 1 . 2]" 2
170 1 84 GLN QB 1 84 GLN HE22 3.650 . 5.500 4.222 4.137 4.281 . 0 0 "[ . 1 . 2]" 2
171 1 74 TYR H 1 82 VAL HB 3.650 . 5.500 5.123 4.900 5.349 . 0 0 "[ . 1 . 2]" 2
172 1 22 ASN H 1 25 MET ME 3.650 . 5.500 4.826 4.420 5.509 0.009 7 0 "[ . 1 . 2]" 2
173 1 14 GLN HE22 1 14 GLN HG2 3.650 . 5.500 4.031 3.813 4.067 . 0 0 "[ . 1 . 2]" 2
174 1 68 GLU HB2 1 71 GLN HE21 3.650 . 5.500 5.244 4.253 5.547 0.047 4 0 "[ . 1 . 2]" 2
175 1 84 GLN HE22 1 87 LEU HB2 3.650 . 5.500 3.566 3.064 3.674 . 0 0 "[ . 1 . 2]" 2
176 1 76 LYS QB 1 78 GLY H 3.650 . 5.500 4.280 4.063 4.471 . 0 0 "[ . 1 . 2]" 2
177 1 5 GLU HB3 1 6 ASP H 3.650 . 5.500 4.119 3.757 4.436 . 0 0 "[ . 1 . 2]" 2
178 1 58 LYS QB 1 59 ASN HD22 3.650 . 5.500 3.261 2.633 4.336 . 0 0 "[ . 1 . 2]" 2
179 1 14 GLN QB 1 14 GLN HE21 3.650 . 5.500 2.467 1.786 2.869 0.014 11 0 "[ . 1 . 2]" 2
180 1 14 GLN QB 1 14 GLN HE22 3.650 . 5.500 3.467 3.192 3.638 . 0 0 "[ . 1 . 2]" 2
181 1 32 GLU HB3 1 83 ASN QD 3.650 . 5.500 3.491 3.229 4.399 . 0 0 "[ . 1 . 2]" 2
182 1 76 LYS QD 1 77 ILE H 3.650 . 5.500 4.508 3.602 5.151 . 0 0 "[ . 1 . 2]" 2
183 1 35 LEU HG 1 38 SER H 3.650 . 5.500 4.460 2.499 5.581 0.081 4 0 "[ . 1 . 2]" 2
184 1 18 LYS HB3 1 59 ASN HD22 3.650 . 5.500 4.101 2.990 5.520 0.020 1 0 "[ . 1 . 2]" 2
185 1 50 SER H 1 53 LEU HG 3.650 . 5.500 4.923 4.644 5.459 . 0 0 "[ . 1 . 2]" 2
186 1 46 ILE HG12 1 47 TYR H 3.650 . 5.500 4.991 4.888 5.055 . 0 0 "[ . 1 . 2]" 2
187 1 22 ASN H 1 25 MET HB3 3.650 . 5.500 5.052 4.831 5.335 . 0 0 "[ . 1 . 2]" 2
188 1 87 LEU HB3 1 88 THR H 3.650 . 5.500 3.591 3.439 3.729 . 0 0 "[ . 1 . 2]" 2
189 1 64 ASP H 1 67 ALA MB 3.650 . 5.500 4.733 4.631 4.840 . 0 0 "[ . 1 . 2]" 2
190 1 67 ALA MB 1 70 LEU H 3.650 . 5.500 4.769 4.622 4.865 . 0 0 "[ . 1 . 2]" 2
191 1 66 ILE H 1 67 ALA MB 3.650 . 5.500 4.387 4.310 4.458 . 0 0 "[ . 1 . 2]" 2
192 1 77 ILE HG13 1 81 ASN H 3.650 . 5.500 4.473 4.080 4.655 . 0 0 "[ . 1 . 2]" 2
193 1 58 LYS QG 1 59 ASN HD22 3.650 . 5.500 4.006 2.353 5.057 . 0 0 "[ . 1 . 2]" 2
194 1 91 LYS H 1 91 LYS QD 3.650 . 5.500 4.190 3.657 4.774 . 0 0 "[ . 1 . 2]" 2
195 1 31 ILE H 1 48 VAL MG1 3.150 . 4.500 3.568 3.246 3.814 . 0 0 "[ . 1 . 2]" 2
196 1 30 GLU H 1 48 VAL MG1 3.150 . 4.500 4.222 4.006 4.448 . 0 0 "[ . 1 . 2]" 2
197 1 27 ILE H 1 48 VAL MG1 3.650 . 5.500 4.518 4.287 4.765 . 0 0 "[ . 1 . 2]" 2
198 1 48 VAL MG1 1 52 HIS H 3.650 . 5.500 4.241 3.898 4.693 . 0 0 "[ . 1 . 2]" 2
199 1 48 VAL MG1 1 51 SER H 3.650 . 5.500 4.640 4.504 4.775 . 0 0 "[ . 1 . 2]" 2
200 1 48 VAL MG1 1 49 TYR H 3.650 . 5.500 3.428 3.336 3.527 . 0 0 "[ . 1 . 2]" 2
201 1 88 THR H 1 88 THR MG 3.650 . 4.500 3.740 3.715 3.769 . 0 0 "[ . 1 . 2]" 2
202 1 16 LYS H 1 89 THR MG 3.650 . 5.500 4.321 3.683 4.918 . 0 0 "[ . 1 . 2]" 2
203 1 89 THR H 1 89 THR MG 3.150 . 4.500 3.721 3.658 3.770 . 0 0 "[ . 1 . 2]" 2
204 1 13 ARG H 1 89 THR MG 3.650 . 5.500 3.181 2.946 3.376 . 0 0 "[ . 1 . 2]" 2
205 1 91 LYS H 1 91 LYS QG 3.650 . 5.500 3.366 2.422 4.141 . 0 0 "[ . 1 . 2]" 2
206 1 43 THR MG 1 44 SER H 3.150 . 4.500 3.721 3.572 3.936 . 0 0 "[ . 1 . 2]" 2
207 1 25 MET H 1 27 ILE HG12 3.650 . 5.500 5.048 4.849 5.273 . 0 0 "[ . 1 . 2]" 2
208 1 14 GLN H 1 89 THR MG 3.650 . 5.500 4.842 4.576 5.114 . 0 0 "[ . 1 . 2]" 2
209 1 82 VAL MG1 1 86 ILE H 3.650 . 5.500 3.725 3.566 3.956 . 0 0 "[ . 1 . 2]" 2
210 1 47 TYR H 1 48 VAL MG2 3.650 . 5.500 3.893 3.763 3.950 . 0 0 "[ . 1 . 2]" 2
211 1 30 GLU H 1 48 VAL MG2 3.650 . 5.500 4.355 4.258 4.479 . 0 0 "[ . 1 . 2]" 2
212 1 32 GLU H 1 48 VAL MG2 3.650 . 5.500 4.811 4.605 4.997 . 0 0 "[ . 1 . 2]" 2
213 1 48 VAL MG2 1 49 TYR H 3.650 . 5.500 3.766 3.658 3.825 . 0 0 "[ . 1 . 2]" 2
214 1 9 PHE H 1 10 VAL MG1 3.650 . 5.500 4.193 3.976 4.441 . 0 0 "[ . 1 . 2]" 2
215 1 23 LEU H 1 24 VAL MG2 3.650 . 5.500 3.931 3.812 4.094 . 0 0 "[ . 1 . 2]" 2
216 1 74 TYR H 1 82 VAL MG2 3.650 . 5.500 3.037 2.873 3.184 . 0 0 "[ . 1 . 2]" 2
217 1 73 TYR H 1 82 VAL MG2 3.650 . 5.500 3.674 3.505 3.835 . 0 0 "[ . 1 . 2]" 2
218 1 10 VAL MG2 1 14 GLN H 3.650 . 5.500 4.283 3.887 4.563 . 0 0 "[ . 1 . 2]" 2
219 1 3 ILE HG13 1 4 LEU H 3.650 . 5.500 4.790 4.097 5.121 . 0 0 "[ . 1 . 2]" 2
220 1 10 VAL MG2 1 13 ARG H 3.650 . 5.500 4.417 4.089 4.590 . 0 0 "[ . 1 . 2]" 2
221 1 77 ILE MG 1 78 GLY H 3.650 . 4.500 4.118 3.969 4.178 . 0 0 "[ . 1 . 2]" 2
222 1 10 VAL MG2 1 14 GLN HE21 3.650 . 5.500 3.448 2.219 5.504 0.004 4 0 "[ . 1 . 2]" 2
223 1 10 VAL MG2 1 14 GLN HE22 3.650 . 5.500 3.887 2.849 5.510 0.010 4 0 "[ . 1 . 2]" 2
224 1 64 ASP H 1 66 ILE HG13 3.650 . 5.500 5.385 5.199 5.518 0.018 8 0 "[ . 1 . 2]" 2
225 1 90 ILE MD 1 91 LYS H 3.150 . 4.500 4.208 3.708 4.588 0.088 14 0 "[ . 1 . 2]" 2
226 1 79 ILE H 1 79 ILE MD 3.650 . 5.500 4.182 4.129 4.330 . 0 0 "[ . 1 . 2]" 2
227 1 74 TYR H 1 79 ILE MD 3.650 . 5.500 4.433 4.175 4.715 . 0 0 "[ . 1 . 2]" 2
228 1 31 ILE MD 1 32 GLU H 3.650 . 5.500 3.860 3.782 3.964 . 0 0 "[ . 1 . 2]" 2
229 1 23 LEU MD2 1 55 GLU H 3.650 . 5.500 3.979 3.346 5.610 0.110 13 0 "[ . 1 . 2]" 2
230 1 41 ILE H 1 41 ILE MG 3.150 . 4.500 1.989 1.855 2.145 . 0 0 "[ . 1 . 2]" 2
231 1 79 ILE MD 1 80 GLU H 3.650 . 5.500 4.547 4.402 4.609 . 0 0 "[ . 1 . 2]" 2
232 1 87 LEU MD2 1 88 THR H 3.650 . 5.500 4.590 4.536 4.632 . 0 0 "[ . 1 . 2]" 2
233 1 20 ASN HD22 1 23 LEU MD2 3.900 . 6.000 5.231 3.893 6.003 0.003 9 0 "[ . 1 . 2]" 2
234 1 20 ASN HD21 1 23 LEU MD2 3.900 . 6.000 4.199 2.821 5.565 . 0 0 "[ . 1 . 2]" 2
235 1 84 GLN HE22 1 87 LEU MD2 3.900 . 6.000 5.979 4.959 6.075 0.075 16 0 "[ . 1 . 2]" 2
236 1 23 LEU MD1 1 26 GLN HE22 3.900 . 6.000 4.384 4.130 4.966 . 0 0 "[ . 1 . 2]" 2
237 1 23 LEU MD1 1 26 GLN HE21 3.900 . 6.000 4.932 4.586 5.550 . 0 0 "[ . 1 . 2]" 2
238 1 45 ILE MD 1 68 GLU H 3.900 . 6.000 5.496 5.314 5.730 . 0 0 "[ . 1 . 2]" 2
239 1 35 LEU MD2 1 36 ARG H 3.650 . 5.500 4.163 3.056 4.711 . 0 0 "[ . 1 . 2]" 2
240 1 4 LEU H 1 4 LEU MD1 3.650 . 5.500 3.689 3.530 3.839 . 0 0 "[ . 1 . 2]" 2
241 1 4 LEU MD1 1 5 GLU H 3.650 . 5.500 5.229 4.919 5.423 . 0 0 "[ . 1 . 2]" 2
242 1 35 LEU MD1 1 39 ASP H 3.650 . 5.500 3.587 2.082 5.332 . 0 0 "[ . 1 . 2]" 2
243 1 31 ILE MG 1 44 SER H 3.650 . 5.500 5.099 4.521 5.475 . 0 0 "[ . 1 . 2]" 2
244 1 35 LEU MD1 1 38 SER H 3.650 . 5.500 3.894 2.654 5.506 0.006 19 0 "[ . 1 . 2]" 2
245 1 12 LEU MD1 1 13 ARG H 3.650 . 5.500 4.481 4.299 4.595 . 0 0 "[ . 1 . 2]" 2
246 1 31 ILE MG 1 48 VAL H 3.650 . 5.500 3.720 3.553 3.894 . 0 0 "[ . 1 . 2]" 2
247 1 65 MET H 1 66 ILE MG 3.650 . 5.500 4.540 4.448 4.609 . 0 0 "[ . 1 . 2]" 2
248 1 77 ILE MD 1 78 GLY H 3.650 . 5.500 4.107 4.005 4.289 . 0 0 "[ . 1 . 2]" 2
249 1 77 ILE H 1 77 ILE MD 3.650 . 4.500 3.874 3.777 3.957 . 0 0 "[ . 1 . 2]" 2
250 1 55 GLU H 1 56 ILE HG12 3.650 . 5.500 3.986 3.753 4.463 . 0 0 "[ . 1 . 2]" 2
251 1 45 ILE HG13 1 46 ILE H 3.650 . 5.500 4.871 4.747 5.007 . 0 0 "[ . 1 . 2]" 2
252 1 3 ILE MG 1 6 ASP H 3.650 . 5.500 5.102 4.620 5.534 0.034 5 0 "[ . 1 . 2]" 2
253 1 49 TYR H 1 56 ILE MG 3.650 . 5.500 5.424 5.177 5.564 0.064 16 0 "[ . 1 . 2]" 2
254 1 56 ILE MG 1 58 LYS H 3.650 . 5.500 4.998 4.802 5.270 . 0 0 "[ . 1 . 2]" 2
255 1 56 ILE MG 1 63 TYR H 3.650 . 5.500 4.756 4.541 4.910 . 0 0 "[ . 1 . 2]" 2
256 1 56 ILE MG 1 57 ARG H 3.650 . 4.500 3.445 3.306 3.566 . 0 0 "[ . 1 . 2]" 2
257 1 4 LEU MD2 1 5 GLU H 3.650 . 5.500 4.675 4.530 4.839 . 0 0 "[ . 1 . 2]" 2
258 1 56 ILE MG 1 64 ASP H 3.650 . 5.500 4.881 4.660 5.164 . 0 0 "[ . 1 . 2]" 2
259 1 3 ILE MD 1 86 ILE H 3.900 . 6.000 4.916 4.378 5.900 . 0 0 "[ . 1 . 2]" 2
260 1 32 GLU H 1 41 ILE MD 3.900 . 6.000 5.922 5.604 6.039 0.039 7 0 "[ . 1 . 2]" 2
261 1 9 PHE H 1 69 ILE MD 3.650 . 4.500 2.707 2.505 3.081 . 0 0 "[ . 1 . 2]" 2
262 1 8 GLU H 1 69 ILE MD 3.650 . 5.500 3.887 3.614 4.119 . 0 0 "[ . 1 . 2]" 2
263 1 25 MET H 1 87 LEU MD1 3.650 . 5.500 4.764 4.336 4.928 . 0 0 "[ . 1 . 2]" 2
264 1 41 ILE MD 1 71 GLN H 3.650 . 5.500 3.355 3.161 3.528 . 0 0 "[ . 1 . 2]" 2
265 1 84 GLN HE22 1 87 LEU MD1 3.650 . 5.500 4.361 2.566 4.620 . 0 0 "[ . 1 . 2]" 2
266 1 41 ILE MD 1 73 TYR H 3.650 . 5.500 5.360 5.122 5.508 0.008 15 0 "[ . 1 . 2]" 2
267 1 19 VAL MG2 1 23 LEU H 3.650 . 5.500 5.471 5.225 5.535 0.035 19 0 "[ . 1 . 2]" 2
268 1 41 ILE MD 1 42 LYS H 3.650 . 5.500 4.740 4.569 4.861 . 0 0 "[ . 1 . 2]" 2
269 1 66 ILE MD 1 67 ALA H 3.650 . 4.500 3.928 3.815 4.065 . 0 0 "[ . 1 . 2]" 2
270 1 27 ILE MD 1 52 HIS H 3.650 . 5.500 4.560 4.005 5.272 . 0 0 "[ . 1 . 2]" 2
271 1 41 ILE MD 1 44 SER H 3.900 . 6.000 5.935 5.831 6.047 0.047 5 0 "[ . 1 . 2]" 2
272 1 19 VAL MG2 1 24 VAL H 3.650 . 5.500 4.243 3.899 4.396 . 0 0 "[ . 1 . 2]" 2
273 1 69 ILE MD 1 70 LEU H 3.650 . 5.500 4.550 4.348 4.745 . 0 0 "[ . 1 . 2]" 2
274 1 27 ILE MD 1 28 LEU H 3.650 . 5.500 4.592 4.554 4.618 . 0 0 "[ . 1 . 2]" 2
275 1 19 VAL H 1 19 VAL MG2 3.650 . 4.500 1.979 1.786 2.392 0.014 17 0 "[ . 1 . 2]" 2
276 1 66 ILE H 1 66 ILE MD 3.650 . 4.500 3.910 3.868 3.957 . 0 0 "[ . 1 . 2]" 2
277 1 19 VAL MG1 1 59 ASN HD22 3.650 . 5.500 2.778 2.561 3.297 . 0 0 "[ . 1 . 2]" 2
278 1 24 VAL H 1 27 ILE HG13 3.650 . 5.500 5.010 4.797 5.401 . 0 0 "[ . 1 . 2]" 2
279 1 27 ILE HG13 1 28 LEU H 3.650 . 5.500 4.700 4.619 4.791 . 0 0 "[ . 1 . 2]" 2
280 1 26 GLN H 1 27 ILE HG13 3.900 . 6.000 5.825 5.697 5.967 . 0 0 "[ . 1 . 2]" 2
281 1 18 LYS H 1 19 VAL MG1 3.650 . 5.500 3.729 2.751 4.798 . 0 0 "[ . 1 . 2]" 2
282 1 19 VAL MG1 1 59 ASN HD21 3.650 . 5.500 2.418 2.066 3.016 . 0 0 "[ . 1 . 2]" 2
283 1 45 ILE MG 1 49 TYR H 3.650 . 5.500 3.860 3.788 3.977 . 0 0 "[ . 1 . 2]" 2
284 1 45 ILE MG 1 48 VAL H 3.650 . 5.500 4.994 4.848 5.114 . 0 0 "[ . 1 . 2]" 2
285 1 45 ILE H 1 45 ILE MG 3.150 . 4.500 3.779 3.752 3.797 . 0 0 "[ . 1 . 2]" 2
286 1 45 ILE MG 1 67 ALA H 3.650 . 5.500 5.078 4.631 5.300 . 0 0 "[ . 1 . 2]" 2
287 1 45 ILE MG 1 46 ILE H 3.650 . 4.500 3.197 3.073 3.338 . 0 0 "[ . 1 . 2]" 2
288 1 49 TYR H 1 56 ILE MD 3.650 . 5.500 4.563 4.413 4.677 . 0 0 "[ . 1 . 2]" 2
289 1 52 HIS H 1 56 ILE MD 3.650 . 5.500 4.542 4.340 4.672 . 0 0 "[ . 1 . 2]" 2
290 1 55 GLU H 1 56 ILE MD 3.650 . 5.500 4.701 4.455 5.239 . 0 0 "[ . 1 . 2]" 2
291 1 56 ILE H 1 56 ILE MD 3.150 . 4.500 2.992 2.883 3.077 . 0 0 "[ . 1 . 2]" 2
292 1 56 ILE MD 1 59 ASN H 3.650 . 5.500 5.290 5.025 5.504 0.004 4 0 "[ . 1 . 2]" 2
293 1 56 ILE MD 1 63 TYR H 3.650 . 5.500 5.096 4.779 5.269 . 0 0 "[ . 1 . 2]" 2
294 1 56 ILE MD 1 57 ARG H 3.650 . 5.500 4.584 4.496 4.671 . 0 0 "[ . 1 . 2]" 2
295 1 80 GLU H 1 83 ASN H 3.650 . 5.500 4.750 4.593 4.882 . 0 0 "[ . 1 . 2]" 2
296 1 6 ASP H 1 73 TYR QE 3.650 . 5.500 4.519 3.998 5.139 . 0 0 "[ . 1 . 2]" 2
297 1 62 PHE QE 1 63 TYR H 3.650 . 5.500 5.313 5.098 5.514 0.014 16 0 "[ . 1 . 2]" 2
298 1 52 HIS HA 1 54 ASP H 3.150 . 4.500 3.778 3.533 4.357 . 0 0 "[ . 1 . 2]" 2
299 1 5 GLU H 1 6 ASP HA 3.650 . 5.500 4.970 4.523 5.274 . 0 0 "[ . 1 . 2]" 2
300 1 40 ASN H 1 43 THR HB 3.650 . 5.500 3.975 2.239 5.481 . 0 0 "[ . 1 . 2]" 2
301 1 74 TYR HA 1 77 ILE H 3.650 . 4.500 3.665 3.457 3.994 . 0 0 "[ . 1 . 2]" 2
302 1 48 VAL H 1 50 SER QB 3.650 . 5.500 5.176 4.813 5.604 0.104 19 0 "[ . 1 . 2]" 2
303 1 47 TYR H 1 50 SER QB 3.650 . 5.500 5.064 4.681 5.490 . 0 0 "[ . 1 . 2]" 2
304 1 22 ASN HA 1 24 VAL H 3.650 . 5.500 4.540 4.414 4.782 . 0 0 "[ . 1 . 2]" 2
305 1 6 ASP H 1 7 PRO HD2 3.650 . 5.500 5.289 5.142 5.387 . 0 0 "[ . 1 . 2]" 2
306 1 4 LEU H 1 5 GLU HA 3.650 . 5.500 4.966 4.575 5.149 . 0 0 "[ . 1 . 2]" 2
307 1 74 TYR HB2 1 78 GLY H 3.650 . 5.500 4.540 4.294 4.953 . 0 0 "[ . 1 . 2]" 2
308 1 76 LYS HA 1 78 GLY H 3.650 . 5.500 5.148 4.954 5.293 . 0 0 "[ . 1 . 2]" 2
309 1 46 ILE H 1 47 TYR HA 3.650 . 5.500 5.479 5.428 5.513 0.013 14 0 "[ . 1 . 2]" 2
310 1 43 THR HB 1 45 ILE H 3.650 . 5.500 4.991 4.819 5.159 . 0 0 "[ . 1 . 2]" 2
311 1 45 ILE H 1 46 ILE HA 3.650 . 5.500 5.352 5.280 5.398 . 0 0 "[ . 1 . 2]" 2
312 1 74 TYR HB2 1 75 LYS H 3.650 . 5.500 4.269 4.152 4.333 . 0 0 "[ . 1 . 2]" 2
313 1 24 VAL HA 1 28 LEU H 3.150 . 4.500 3.903 3.711 4.062 . 0 0 "[ . 1 . 2]" 2
314 1 66 ILE HA 1 68 GLU H 3.650 . 4.500 4.176 4.006 4.349 . 0 0 "[ . 1 . 2]" 2
315 1 52 HIS HB2 1 56 ILE H 3.650 . 5.500 4.609 4.158 4.882 . 0 0 "[ . 1 . 2]" 2
316 1 31 ILE HA 1 35 LEU H 3.650 . 4.500 3.841 3.538 4.098 . 0 0 "[ . 1 . 2]" 2
317 1 6 ASP H 1 9 PHE HB3 3.650 . 5.500 3.545 3.298 3.870 . 0 0 "[ . 1 . 2]" 2
318 1 5 GLU H 1 6 ASP HB2 3.650 . 5.500 4.487 3.807 4.967 . 0 0 "[ . 1 . 2]" 2
319 1 46 ILE H 1 47 TYR HB2 3.650 . 5.500 5.379 5.253 5.470 . 0 0 "[ . 1 . 2]" 2
320 1 39 ASP HB2 1 40 ASN H 3.150 . 4.500 3.750 1.886 4.514 0.014 2 0 "[ . 1 . 2]" 2
321 1 78 GLY H 1 81 ASN HB3 3.650 . 5.500 5.408 4.403 5.549 0.049 19 0 "[ . 1 . 2]" 2
322 1 73 TYR HB2 1 78 GLY H 3.650 . 5.500 5.458 5.261 5.529 0.029 15 0 "[ . 1 . 2]" 2
323 1 80 GLU H 1 83 ASN HB2 3.650 . 5.500 5.176 4.905 5.442 . 0 0 "[ . 1 . 2]" 2
324 1 52 HIS HB3 1 55 GLU H 3.650 . 5.500 3.929 3.412 4.262 . 0 0 "[ . 1 . 2]" 2
325 1 49 TYR HB3 1 52 HIS H 3.650 . 5.500 5.303 4.989 5.520 0.020 5 0 "[ . 1 . 2]" 2
326 1 11 LYS HB3 1 14 GLN HE21 3.650 . 5.500 4.333 3.506 5.033 . 0 0 "[ . 1 . 2]" 2
327 1 11 LYS QD 1 14 GLN HE21 3.650 . 5.500 5.020 2.819 5.525 0.025 13 0 "[ . 1 . 2]" 2
328 1 11 LYS QD 1 14 GLN HE22 3.650 . 5.500 4.896 2.550 5.536 0.036 14 0 "[ . 1 . 2]" 2
329 1 5 GLU HG2 1 6 ASP H 3.650 . 5.500 4.992 3.762 5.456 . 0 0 "[ . 1 . 2]" 2
330 1 65 MET H 1 65 MET ME 3.650 . 4.500 3.692 3.493 4.576 0.076 18 0 "[ . 1 . 2]" 2
331 1 79 ILE HG13 1 80 GLU H 3.650 . 5.500 3.900 3.669 4.017 . 0 0 "[ . 1 . 2]" 2
332 1 36 ARG QG 1 37 GLY H 3.650 . 5.500 4.074 3.196 4.921 . 0 0 "[ . 1 . 2]" 2
333 1 58 LYS QD 1 59 ASN HD21 3.650 . 5.500 4.183 2.259 5.518 0.018 12 0 "[ . 1 . 2]" 2
334 1 58 LYS QG 1 59 ASN HD21 3.650 . 4.500 3.920 2.126 4.531 0.031 8 0 "[ . 1 . 2]" 2
335 1 60 LYS QG 1 64 ASP H 3.650 . 5.500 5.237 4.801 5.647 0.147 8 0 "[ . 1 . 2]" 2
336 1 42 LYS H 1 71 GLN HG3 3.650 . 5.500 5.428 5.152 5.603 0.103 1 0 "[ . 1 . 2]" 2
337 1 65 MET HG2 1 66 ILE H 3.650 . 5.500 5.058 4.995 5.129 . 0 0 "[ . 1 . 2]" 2
338 1 23 LEU HB3 1 27 ILE H 3.650 . 5.500 5.455 5.390 5.525 0.025 14 0 "[ . 1 . 2]" 2
339 1 12 LEU H 1 89 THR MG 3.650 . 5.500 4.437 4.199 4.874 . 0 0 "[ . 1 . 2]" 2
340 1 73 TYR H 1 82 VAL MG1 3.650 . 5.500 3.977 3.765 4.118 . 0 0 "[ . 1 . 2]" 2
341 1 45 ILE H 1 48 VAL MG2 3.650 . 5.500 4.789 4.546 5.020 . 0 0 "[ . 1 . 2]" 2
342 1 3 ILE HB 1 4 LEU H 3.650 . 5.500 4.220 3.939 4.546 . 0 0 "[ . 1 . 2]" 2
343 1 42 LYS QD 1 43 THR H 3.650 . 5.500 4.309 1.829 4.937 . 0 0 "[ . 1 . 2]" 2
344 1 89 THR H 1 90 ILE QG 3.650 . 5.500 3.919 3.822 4.026 . 0 0 "[ . 1 . 2]" 2
345 1 88 THR MG 1 89 THR H 3.650 . 5.500 3.685 3.446 3.823 . 0 0 "[ . 1 . 2]" 2
346 1 90 ILE H 1 90 ILE MD 3.650 . 5.500 3.691 3.616 3.761 . 0 0 "[ . 1 . 2]" 2
347 1 79 ILE H 1 82 VAL MG2 3.650 . 5.500 4.230 3.916 4.657 . 0 0 "[ . 1 . 2]" 2
348 1 27 ILE MG 1 30 GLU H 3.650 . 5.500 4.932 4.824 5.030 . 0 0 "[ . 1 . 2]" 2
349 1 70 LEU MD2 1 71 GLN H 3.650 . 5.500 4.690 4.635 4.747 . 0 0 "[ . 1 . 2]" 2
350 1 9 PHE H 1 69 ILE HG13 3.650 . 5.500 4.866 4.456 5.333 . 0 0 "[ . 1 . 2]" 2
351 1 77 ILE MD 1 82 VAL H 3.650 . 5.500 3.611 3.505 3.710 . 0 0 "[ . 1 . 2]" 2
352 1 77 ILE HG13 1 82 VAL H 3.650 . 5.500 3.527 3.375 3.704 . 0 0 "[ . 1 . 2]" 2
353 1 49 TYR H 1 56 ILE HG12 3.900 . 6.000 5.990 5.855 6.036 0.036 15 0 "[ . 1 . 2]" 2
354 1 52 HIS H 1 56 ILE HG12 3.650 . 5.500 4.171 3.765 4.390 . 0 0 "[ . 1 . 2]" 2
355 1 28 LEU MD2 1 84 GLN H 3.650 . 5.500 5.477 4.766 5.544 0.044 1 0 "[ . 1 . 2]" 2
356 1 35 LEU MD1 1 41 ILE H 3.650 . 5.500 2.711 2.322 3.299 . 0 0 "[ . 1 . 2]" 2
357 1 42 LYS H 1 45 ILE HG13 3.650 . 5.500 5.085 4.863 5.424 . 0 0 "[ . 1 . 2]" 2
358 1 87 LEU MD1 1 88 THR H 3.650 . 5.500 4.528 4.416 4.665 . 0 0 "[ . 1 . 2]" 2
359 1 68 GLU H 1 69 ILE MD 3.650 . 5.500 5.129 4.842 5.364 . 0 0 "[ . 1 . 2]" 2
360 1 41 ILE MD 1 45 ILE H 3.650 . 5.500 5.219 5.049 5.354 . 0 0 "[ . 1 . 2]" 2
361 1 19 VAL MG1 1 63 TYR H 3.650 . 5.500 4.913 4.397 5.516 0.016 14 0 "[ . 1 . 2]" 2
362 1 63 TYR H 1 66 ILE HG13 3.650 . 5.500 5.512 5.403 5.552 0.052 13 0 "[ . 1 . 2]" 2
363 1 19 VAL MG2 1 59 ASN HD22 3.650 . 5.500 5.013 4.512 5.383 . 0 0 "[ . 1 . 2]" 2
364 1 18 LYS H 1 19 VAL MG2 3.650 . 5.500 3.350 2.466 3.850 . 0 0 "[ . 1 . 2]" 2
365 1 27 ILE H 1 30 GLU H 3.650 . 5.500 4.612 4.553 4.687 . 0 0 "[ . 1 . 2]" 2
366 1 30 GLU H 1 32 GLU H 3.650 . 5.500 4.013 3.925 4.098 . 0 0 "[ . 1 . 2]" 2
367 1 44 SER HA 1 46 ILE H 3.650 . 5.500 4.352 4.234 4.425 . 0 0 "[ . 1 . 2]" 2
368 1 72 ARG H 1 75 LYS H 3.650 . 5.500 5.162 4.985 5.360 . 0 0 "[ . 1 . 2]" 2
369 1 57 ARG H 1 59 ASN H 3.650 . 5.500 4.292 4.019 4.537 . 0 0 "[ . 1 . 2]" 2
370 1 31 ILE H 1 33 LEU H 3.650 . 5.500 4.345 4.188 4.445 . 0 0 "[ . 1 . 2]" 2
371 1 84 GLN HA 1 84 GLN HE21 3.650 . 5.500 2.645 2.547 2.804 . 0 0 "[ . 1 . 2]" 2
372 1 40 ASN H 1 43 THR H 3.650 . 5.500 4.789 3.738 5.553 0.053 2 0 "[ . 1 . 2]" 2
373 1 40 ASN H 1 40 ASN HD21 3.650 . 5.500 4.202 2.822 5.051 . 0 0 "[ . 1 . 2]" 2
374 1 60 LYS HD2 1 61 GLU H 3.650 . 5.500 4.686 2.151 5.403 . 0 0 "[ . 1 . 2]" 2
375 1 18 LYS HB3 1 19 VAL H 3.650 . 5.500 4.296 3.927 4.439 . 0 0 "[ . 1 . 2]" 2
376 1 19 VAL H 1 19 VAL MG1 3.650 . 4.500 2.811 2.284 3.107 . 0 0 "[ . 1 . 2]" 2
377 1 84 GLN HE21 1 87 LEU MD1 3.650 . 5.500 3.161 3.056 3.332 . 0 0 "[ . 1 . 2]" 2
378 1 84 GLN HE21 1 87 LEU MD2 3.650 . 5.500 5.270 5.076 5.340 . 0 0 "[ . 1 . 2]" 2
379 1 28 LEU MD2 1 29 ASP H 3.650 . 5.500 4.634 4.370 4.707 . 0 0 "[ . 1 . 2]" 2
380 1 24 VAL H 1 63 TYR QE 3.650 . 5.500 5.331 4.839 5.511 0.011 1 0 "[ . 1 . 2]" 2
381 1 48 VAL H 1 49 TYR H 2.650 . 3.500 2.687 2.555 2.798 . 0 0 "[ . 1 . 2]" 2
382 1 49 TYR H 1 50 SER H 2.650 . 3.500 2.630 2.537 2.706 . 0 0 "[ . 1 . 2]" 2
383 1 79 ILE H 1 80 GLU H 3.150 . 4.500 2.676 2.234 2.807 . 0 0 "[ . 1 . 2]" 2
384 1 80 GLU H 1 81 ASN H 2.650 . 3.500 2.639 2.550 2.745 . 0 0 "[ . 1 . 2]" 2
385 1 8 GLU H 1 9 PHE H 2.650 . 3.500 2.315 2.172 2.531 . 0 0 "[ . 1 . 2]" 2
386 1 64 ASP H 1 65 MET H 2.650 . 3.500 2.577 2.343 2.751 . 0 0 "[ . 1 . 2]" 2
387 1 63 TYR H 1 64 ASP H 2.650 . 3.500 2.680 2.602 2.752 . 0 0 "[ . 1 . 2]" 2
388 1 78 GLY H 1 79 ILE H 3.150 . 4.500 4.096 3.983 4.365 . 0 0 "[ . 1 . 2]" 2
389 1 69 ILE H 1 70 LEU H 2.650 . 3.500 2.748 2.644 2.830 . 0 0 "[ . 1 . 2]" 2
390 1 70 LEU H 1 71 GLN H 2.650 . 3.500 2.852 2.772 2.927 . 0 0 "[ . 1 . 2]" 2
391 1 73 TYR H 1 74 TYR H 2.650 . 3.500 2.480 2.324 2.586 . 0 0 "[ . 1 . 2]" 2
392 1 60 LYS H 1 61 GLU H 2.650 . 3.500 2.753 2.523 2.969 . 0 0 "[ . 1 . 2]" 2
393 1 61 GLU H 1 62 PHE H 2.650 . 3.500 2.596 2.391 2.696 . 0 0 "[ . 1 . 2]" 2
394 1 85 LEU H 1 86 ILE H 3.150 . 3.500 2.706 2.502 2.796 . 0 0 "[ . 1 . 2]" 2
395 1 34 ASP H 1 35 LEU H 2.300 . 2.800 2.514 2.427 2.593 . 0 0 "[ . 1 . 2]" 2
396 1 86 ILE H 1 87 LEU H 3.150 . 3.500 2.645 2.569 2.705 . 0 0 "[ . 1 . 2]" 2
397 1 35 LEU H 1 36 ARG H 2.650 . 3.500 2.727 2.588 2.916 . 0 0 "[ . 1 . 2]" 2
398 1 31 ILE H 1 32 GLU H 2.650 . 3.500 2.542 2.468 2.621 . 0 0 "[ . 1 . 2]" 2
399 1 39 ASP H 1 40 ASN H 3.150 . 4.500 2.865 1.795 4.370 0.005 12 0 "[ . 1 . 2]" 2
400 1 82 VAL H 1 83 ASN H 2.650 . 3.500 2.641 2.563 2.737 . 0 0 "[ . 1 . 2]" 2
401 1 83 ASN H 1 84 GLN H 2.650 . 3.500 2.788 2.713 2.851 . 0 0 "[ . 1 . 2]" 2
402 1 37 GLY H 1 38 SER H 2.650 . 3.500 2.334 1.780 3.447 0.020 19 0 "[ . 1 . 2]" 2
403 1 54 ASP H 1 55 GLU H 3.150 . 3.500 2.899 2.641 3.029 . 0 0 "[ . 1 . 2]" 2
404 1 46 ILE H 1 47 TYR H 2.650 . 3.500 2.916 2.832 2.961 . 0 0 "[ . 1 . 2]" 2
405 1 88 THR H 1 89 THR H 3.150 . 4.500 2.630 2.522 2.724 . 0 0 "[ . 1 . 2]" 2
406 1 44 SER H 1 45 ILE H 2.650 . 3.500 2.692 2.607 2.785 . 0 0 "[ . 1 . 2]" 2
407 1 68 GLU H 1 69 ILE H 2.650 . 3.500 2.654 2.529 2.776 . 0 0 "[ . 1 . 2]" 2
408 1 45 ILE H 1 46 ILE H 2.650 . 3.500 2.777 2.695 2.832 . 0 0 "[ . 1 . 2]" 2
409 1 22 ASN H 1 23 LEU H 2.650 . 3.500 2.431 2.285 2.681 . 0 0 "[ . 1 . 2]" 2
410 1 67 ALA H 1 69 ILE H 3.150 . 4.500 4.296 4.103 4.402 . 0 0 "[ . 1 . 2]" 2
411 1 10 VAL H 1 11 LYS H 3.150 . 4.500 2.633 2.556 2.724 . 0 0 "[ . 1 . 2]" 2
412 1 56 ILE H 1 57 ARG H 2.650 . 3.500 2.715 2.490 2.856 . 0 0 "[ . 1 . 2]" 2
413 1 27 ILE H 1 28 LEU H 2.650 . 2.800 2.748 2.687 2.812 0.012 17 0 "[ . 1 . 2]" 2
414 1 26 GLN H 1 27 ILE H 2.650 . 3.500 2.616 2.529 2.721 . 0 0 "[ . 1 . 2]" 2
415 1 87 LEU H 1 88 THR H 3.150 . 3.500 2.624 2.506 2.743 . 0 0 "[ . 1 . 2]" 2
416 1 18 LYS H 1 19 VAL H . . 2.800 2.539 2.061 2.852 0.052 6 0 "[ . 1 . 2]" 2
417 1 57 ARG H 1 58 LYS H 2.650 . 3.500 2.591 2.418 2.804 . 0 0 "[ . 1 . 2]" 2
418 1 81 ASN H 1 82 VAL H 2.650 . 3.500 2.629 2.550 2.713 . 0 0 "[ . 1 . 2]" 2
419 1 71 GLN H 1 72 ARG H 2.650 . 3.500 2.567 2.429 2.725 . 0 0 "[ . 1 . 2]" 2
420 1 72 ARG H 1 73 TYR H 2.650 . 3.500 2.782 2.700 2.888 . 0 0 "[ . 1 . 2]" 2
421 1 26 GLN HE22 1 52 HIS HE1 3.150 . 4.500 3.125 2.704 4.116 . 0 0 "[ . 1 . 2]" 2
422 1 26 GLN HE21 1 52 HIS HE1 3.150 . 4.500 3.768 3.210 4.501 0.001 1 0 "[ . 1 . 2]" 2
423 1 50 SER H 1 51 SER H 2.650 . 3.500 2.510 2.341 2.657 . 0 0 "[ . 1 . 2]" 2
424 1 14 GLN H 1 15 PHE H 2.650 . 3.500 2.416 2.271 2.752 . 0 0 "[ . 1 . 2]" 2
425 1 25 MET H 1 26 GLN H 2.650 . 3.500 2.702 2.657 2.762 . 0 0 "[ . 1 . 2]" 2
426 1 84 GLN H 1 85 LEU H 2.650 . 3.500 2.606 2.517 2.669 . 0 0 "[ . 1 . 2]" 2
427 1 23 LEU H 1 24 VAL H 2.650 . 3.500 2.491 2.386 2.622 . 0 0 "[ . 1 . 2]" 2
428 1 66 ILE H 1 67 ALA H 2.650 . 3.500 2.713 2.634 2.786 . 0 0 "[ . 1 . 2]" 2
429 1 65 MET H 1 66 ILE H 2.650 . 3.500 2.778 2.691 2.864 . 0 0 "[ . 1 . 2]" 2
430 1 5 GLU H 1 6 ASP H 2.650 . 3.500 2.455 2.028 2.795 . 0 0 "[ . 1 . 2]" 2
431 1 75 LYS H 1 76 LYS H 2.650 . 3.500 2.484 2.298 2.606 . 0 0 "[ . 1 . 2]" 2
432 1 55 GLU H 1 56 ILE H 2.650 . 2.800 2.486 2.381 2.798 . 0 0 "[ . 1 . 2]" 2
433 1 62 PHE H 1 63 TYR H 2.650 . 3.500 2.666 2.569 2.785 . 0 0 "[ . 1 . 2]" 2
434 1 42 LYS H 1 43 THR H 2.650 . 2.800 2.629 2.396 2.794 . 0 0 "[ . 1 . 2]" 2
435 1 43 THR H 1 44 SER H 2.650 . 3.500 2.536 2.357 2.791 . 0 0 "[ . 1 . 2]" 2
436 1 36 ARG H 1 37 GLY H 3.150 . 4.500 3.271 2.510 4.203 . 0 0 "[ . 1 . 2]" 2
437 1 72 ARG H 1 73 TYR QD 3.150 . 4.500 4.395 4.200 4.525 0.025 12 0 "[ . 1 . 2]" 2
438 1 73 TYR H 1 73 TYR QD 3.150 . 4.500 2.644 2.449 2.833 . 0 0 "[ . 1 . 2]" 2
439 1 77 ILE H 1 78 GLY H 2.300 . 2.800 1.979 1.921 2.034 . 0 0 "[ . 1 . 2]" 2
440 1 15 PHE H 1 15 PHE QD 3.150 . 4.500 3.877 2.214 4.214 . 0 0 "[ . 1 . 2]" 2
441 1 74 TYR H 1 74 TYR QD 2.650 . 3.500 3.283 2.654 3.505 0.005 6 0 "[ . 1 . 2]" 2
442 1 74 TYR QD 1 75 LYS H 3.150 . 4.500 3.020 2.794 3.216 . 0 0 "[ . 1 . 2]" 2
443 1 59 ASN H 1 63 TYR QD 3.150 . 4.500 3.327 2.905 3.523 . 0 0 "[ . 1 . 2]" 2
444 1 63 TYR H 1 63 TYR QD 3.150 . 4.500 2.734 2.571 3.147 . 0 0 "[ . 1 . 2]" 2
445 1 21 PHE QD 1 22 ASN H 3.150 . 4.500 3.450 3.121 3.802 . 0 0 "[ . 1 . 2]" 2
446 1 49 TYR H 1 49 TYR QD 3.150 . 4.500 2.206 2.048 2.481 . 0 0 "[ . 1 . 2]" 2
447 1 59 ASN H 1 59 ASN HD22 3.150 . 4.500 4.370 4.048 4.524 0.024 12 0 "[ . 1 . 2]" 2
448 1 59 ASN H 1 63 TYR QE 3.150 . 4.500 3.658 3.031 4.051 . 0 0 "[ . 1 . 2]" 2
449 1 62 PHE H 1 62 PHE QD 3.150 . 4.500 4.175 4.124 4.251 . 0 0 "[ . 1 . 2]" 2
450 1 62 PHE QD 1 63 TYR H 3.150 . 4.500 3.209 2.972 3.383 . 0 0 "[ . 1 . 2]" 2
451 1 59 ASN H 1 59 ASN HA 2.650 . 3.500 2.932 2.904 2.956 . 0 0 "[ . 1 . 2]" 2
452 1 59 ASN HA 1 61 GLU H 3.150 . 4.500 3.408 3.073 3.731 . 0 0 "[ . 1 . 2]" 2
453 1 52 HIS HA 1 53 LEU H 3.150 . 4.500 2.768 2.611 2.906 . 0 0 "[ . 1 . 2]" 2
454 1 52 HIS H 1 52 HIS HA 2.650 . 3.500 2.946 2.922 2.959 . 0 0 "[ . 1 . 2]" 2
455 1 73 TYR HA 1 74 TYR H 3.150 . 4.500 3.429 3.369 3.512 . 0 0 "[ . 1 . 2]" 2
456 1 78 GLY HA3 1 79 ILE H 2.650 . 3.500 2.961 2.650 3.080 . 0 0 "[ . 1 . 2]" 2
457 1 40 ASN HA 1 41 ILE H 3.150 . 4.500 2.223 2.064 2.608 . 0 0 "[ . 1 . 2]" 2
458 1 40 ASN HA 1 42 LYS H 3.150 . 4.500 3.713 3.194 4.372 . 0 0 "[ . 1 . 2]" 2
459 1 40 ASN H 1 40 ASN HA 2.650 . 3.500 2.901 2.804 2.955 . 0 0 "[ . 1 . 2]" 2
460 1 77 ILE H 1 77 ILE HA 2.650 . 3.500 2.941 2.925 2.955 . 0 0 "[ . 1 . 2]" 2
461 1 64 ASP H 1 64 ASP HA 2.650 . 3.500 2.850 2.806 2.901 . 0 0 "[ . 1 . 2]" 2
462 1 64 ASP HA 1 65 MET H 3.150 . 4.500 3.539 3.499 3.561 . 0 0 "[ . 1 . 2]" 2
463 1 64 ASP HA 1 67 ALA H 3.150 . 4.500 3.655 3.370 4.051 . 0 0 "[ . 1 . 2]" 2
464 1 81 ASN HA 1 82 VAL H 3.150 . 4.500 3.527 3.504 3.543 . 0 0 "[ . 1 . 2]" 2
465 1 44 SER HA 1 45 ILE H 3.150 . 4.500 3.536 3.508 3.564 . 0 0 "[ . 1 . 2]" 2
466 1 18 LYS H 1 18 LYS HA 2.650 . 3.500 2.643 2.215 2.932 . 0 0 "[ . 1 . 2]" 2
467 1 39 ASP H 1 39 ASP HA 2.650 . 3.500 2.864 2.197 2.959 . 0 0 "[ . 1 . 2]" 2
468 1 39 ASP HA 1 40 ASN H 3.150 . 4.500 3.345 2.799 3.605 . 0 0 "[ . 1 . 2]" 2
469 1 90 ILE HA 1 91 LYS H 3.150 . 4.500 3.411 3.225 3.562 . 0 0 "[ . 1 . 2]" 2
470 1 83 ASN HA 1 86 ILE H 3.150 . 4.500 3.628 3.435 3.908 . 0 0 "[ . 1 . 2]" 2
471 1 29 ASP HA 1 32 GLU H 3.150 . 4.500 3.599 3.485 3.770 . 0 0 "[ . 1 . 2]" 2
472 1 29 ASP HA 1 33 LEU H 3.150 . 4.500 3.913 3.744 4.254 . 0 0 "[ . 1 . 2]" 2
473 1 89 THR H 1 89 THR HB 2.650 . 3.500 2.508 2.300 2.773 . 0 0 "[ . 1 . 2]" 2
474 1 35 LEU H 1 35 LEU HA 2.650 . 3.500 2.793 2.729 2.859 . 0 0 "[ . 1 . 2]" 2
475 1 51 SER H 1 51 SER HA 2.650 . 3.500 2.878 2.825 2.920 . 0 0 "[ . 1 . 2]" 2
476 1 51 SER HA 1 52 HIS H 3.150 . 4.500 3.465 3.292 3.568 . 0 0 "[ . 1 . 2]" 2
477 1 38 SER H 1 38 SER HA 2.650 . 3.500 2.806 2.174 2.958 . 0 0 "[ . 1 . 2]" 2
478 1 22 ASN HA 1 25 MET H 3.150 . 4.500 3.592 3.326 3.913 . 0 0 "[ . 1 . 2]" 2
479 1 22 ASN H 1 22 ASN HA 2.650 . 3.500 2.859 2.787 2.895 . 0 0 "[ . 1 . 2]" 2
480 1 88 THR H 1 88 THR HB 3.150 . 3.500 2.532 2.418 2.622 . 0 0 "[ . 1 . 2]" 2
481 1 37 GLY H 1 37 GLY HA2 2.650 . 3.500 2.826 2.311 2.954 . 0 0 "[ . 1 . 2]" 2
482 1 5 GLU HA 1 6 ASP H 3.150 . 3.500 3.382 3.206 3.507 0.007 18 0 "[ . 1 . 2]" 2
483 1 34 ASP H 1 34 ASP HA 2.650 . 3.300 2.867 2.844 2.883 . 0 0 "[ . 1 . 2]" 2
484 1 54 ASP H 1 54 ASP HA 2.650 . 2.800 2.793 2.752 2.821 0.021 9 0 "[ . 1 . 2]" 2
485 1 5 GLU H 1 5 GLU HA 2.650 . 3.500 2.855 2.755 2.948 . 0 0 "[ . 1 . 2]" 2
486 1 58 LYS HA 1 59 ASN H 3.150 . 4.500 3.508 3.411 3.539 . 0 0 "[ . 1 . 2]" 2
487 1 76 LYS H 1 76 LYS HA 2.650 . 3.500 2.900 2.843 2.953 . 0 0 "[ . 1 . 2]" 2
488 1 58 LYS H 1 58 LYS HA 2.650 . 3.500 2.831 2.795 2.877 . 0 0 "[ . 1 . 2]" 2
489 1 76 LYS HA 1 77 ILE H 3.150 . 4.500 3.581 3.533 3.620 . 0 0 "[ . 1 . 2]" 2
490 1 47 TYR HA 1 48 VAL H 3.150 . 4.500 3.495 3.459 3.526 . 0 0 "[ . 1 . 2]" 2
491 1 47 TYR H 1 47 TYR HA 2.650 . 2.800 2.820 2.807 2.832 0.032 4 0 "[ . 1 . 2]" 2
492 1 12 LEU H 1 12 LEU HA 2.650 . 3.500 2.804 2.762 2.828 . 0 0 "[ . 1 . 2]" 2
493 1 43 THR HB 1 44 SER H 2.650 . 3.500 2.583 2.345 2.834 . 0 0 "[ . 1 . 2]" 2
494 1 23 LEU HA 1 24 VAL H 3.150 . 4.500 3.544 3.493 3.567 . 0 0 "[ . 1 . 2]" 2
495 1 17 GLY HA2 1 18 LYS H 2.900 . 4.000 2.807 2.089 3.559 . 0 0 "[ . 1 . 2]" 2
496 1 12 LEU HA 1 15 PHE H 3.150 . 4.500 3.216 3.017 3.488 . 0 0 "[ . 1 . 2]" 2
497 1 12 LEU HA 1 13 ARG H 3.150 . 4.500 3.502 3.460 3.562 . 0 0 "[ . 1 . 2]" 2
498 1 43 THR H 1 43 THR HB 2.650 . 3.500 2.593 2.481 2.732 . 0 0 "[ . 1 . 2]" 2
499 1 65 MET H 1 65 MET HA 2.650 . 3.500 2.799 2.774 2.821 . 0 0 "[ . 1 . 2]" 2
500 1 65 MET HA 1 66 ILE H 3.150 . 4.500 3.576 3.530 3.603 . 0 0 "[ . 1 . 2]" 2
501 1 14 GLN H 1 14 GLN HA 2.650 . 3.500 2.871 2.823 2.891 . 0 0 "[ . 1 . 2]" 2
502 1 80 GLU H 1 80 GLU HA 2.300 . 2.800 2.786 2.721 2.815 0.015 20 0 "[ . 1 . 2]" 2
503 1 49 TYR H 1 49 TYR HA 2.650 . 3.500 2.804 2.785 2.820 . 0 0 "[ . 1 . 2]" 2
504 1 74 TYR H 1 74 TYR HA 2.650 . 3.500 2.819 2.796 2.831 . 0 0 "[ . 1 . 2]" 2
505 1 85 LEU H 1 85 LEU HA 2.650 . 3.500 2.815 2.798 2.852 . 0 0 "[ . 1 . 2]" 2
506 1 49 TYR HA 1 52 HIS H 2.650 . 3.500 3.371 3.289 3.460 . 0 0 "[ . 1 . 2]" 2
507 1 8 GLU H 1 8 GLU HA 2.650 . 3.500 2.863 2.845 2.884 . 0 0 "[ . 1 . 2]" 2
508 1 61 GLU H 1 61 GLU HA 2.300 . 2.800 2.801 2.759 2.823 0.023 14 0 "[ . 1 . 2]" 2
509 1 36 ARG HA 1 37 GLY H 3.150 . 4.500 3.306 2.063 3.577 . 0 0 "[ . 1 . 2]" 2
510 1 85 LEU HA 1 86 ILE H 3.150 . 4.500 3.523 3.490 3.552 . 0 0 "[ . 1 . 2]" 2
511 1 68 GLU H 1 68 GLU HA 2.650 . 3.500 2.827 2.779 2.867 . 0 0 "[ . 1 . 2]" 2
512 1 26 GLN H 1 26 GLN HA 2.650 . 3.500 2.831 2.779 2.870 . 0 0 "[ . 1 . 2]" 2
513 1 68 GLU HA 1 71 GLN HE22 3.150 . 4.500 3.864 3.004 4.465 . 0 0 "[ . 1 . 2]" 2
514 1 30 GLU H 1 30 GLU HA 2.650 . 3.500 2.799 2.764 2.829 . 0 0 "[ . 1 . 2]" 2
515 1 33 LEU HA 1 34 ASP H 2.650 . 3.500 3.469 3.431 3.501 0.001 18 0 "[ . 1 . 2]" 2
516 1 28 LEU HA 1 32 GLU H 3.150 . 4.500 4.094 3.975 4.336 . 0 0 "[ . 1 . 2]" 2
517 1 44 SER H 1 44 SER HB2 2.650 . 3.500 2.559 2.480 2.625 . 0 0 "[ . 1 . 2]" 2
518 1 28 LEU H 1 28 LEU HA 2.650 . 3.500 2.808 2.793 2.829 . 0 0 "[ . 1 . 2]" 2
519 1 88 THR H 1 88 THR HA 2.650 . 3.500 2.805 2.776 2.831 . 0 0 "[ . 1 . 2]" 2
520 1 50 SER H 1 50 SER QB 2.650 . 3.500 2.399 2.211 2.623 . 0 0 "[ . 1 . 2]" 2
521 1 72 ARG HA 1 73 TYR H 3.150 . 4.500 3.562 3.539 3.587 . 0 0 "[ . 1 . 2]" 2
522 1 78 GLY HA2 1 79 ILE H 2.650 . 3.500 2.258 2.194 2.603 . 0 0 "[ . 1 . 2]" 2
523 1 91 LYS H 1 91 LYS HA 2.650 . 3.500 2.893 2.819 2.939 . 0 0 "[ . 1 . 2]" 2
524 1 67 ALA H 1 67 ALA HA 2.650 . 3.500 2.791 2.768 2.818 . 0 0 "[ . 1 . 2]" 2
525 1 70 LEU H 1 70 LEU HA 2.650 . 3.500 2.768 2.751 2.794 . 0 0 "[ . 1 . 2]" 2
526 1 78 GLY H 1 78 GLY HA2 2.650 . 3.500 2.505 2.442 2.578 . 0 0 "[ . 1 . 2]" 2
527 1 57 ARG HA 1 60 LYS H 3.150 . 4.500 3.976 3.557 4.279 . 0 0 "[ . 1 . 2]" 2
528 1 57 ARG HA 1 59 ASN H 3.150 . 4.500 4.369 4.045 4.555 0.055 16 0 "[ . 1 . 2]" 2
529 1 57 ARG H 1 57 ARG HA 2.650 . 3.500 2.845 2.806 2.881 . 0 0 "[ . 1 . 2]" 2
530 1 63 TYR HA 1 64 ASP H 3.150 . 4.500 3.478 3.438 3.530 . 0 0 "[ . 1 . 2]" 2
531 1 53 LEU H 1 53 LEU HA 2.650 . 3.500 2.739 2.722 2.756 . 0 0 "[ . 1 . 2]" 2
532 1 51 SER HB2 1 52 HIS H 3.150 . 4.500 4.022 3.815 4.296 . 0 0 "[ . 1 . 2]" 2
533 1 53 LEU HA 1 56 ILE H 3.150 . 4.500 3.599 3.436 3.857 . 0 0 "[ . 1 . 2]" 2
534 1 7 PRO HD2 1 8 GLU H 3.150 . 4.500 2.569 2.327 3.106 . 0 0 "[ . 1 . 2]" 2
535 1 63 TYR HA 1 66 ILE H 3.150 . 4.500 3.401 3.198 3.572 . 0 0 "[ . 1 . 2]" 2
536 1 51 SER H 1 51 SER HB2 2.300 . 2.800 2.651 2.474 2.730 . 0 0 "[ . 1 . 2]" 2
537 1 37 GLY H 1 37 GLY HA3 2.650 . 3.500 2.582 2.288 2.934 . 0 0 "[ . 1 . 2]" 2
538 1 42 LYS H 1 42 LYS HA 2.650 . 3.500 2.815 2.773 2.869 . 0 0 "[ . 1 . 2]" 2
539 1 43 THR HA 1 46 ILE H 2.650 . 3.500 3.305 3.005 3.516 0.016 19 0 "[ . 1 . 2]" 2
540 1 42 LYS HA 1 45 ILE H 2.650 . 3.500 3.322 3.095 3.571 0.071 18 0 "[ . 1 . 2]" 2
541 1 38 SER QB 1 39 ASP H 3.150 . 4.500 2.933 1.895 3.765 . 0 0 "[ . 1 . 2]" 2
542 1 38 SER H 1 38 SER QB 2.650 . 3.500 2.814 2.209 3.490 . 0 0 "[ . 1 . 2]" 2
543 1 32 GLU HA 1 36 ARG H 3.150 . 4.500 3.936 3.386 4.534 0.034 17 0 "[ . 1 . 2]" 2
544 1 4 LEU HA 1 6 ASP H 3.150 . 4.500 3.302 3.008 3.653 . 0 0 "[ . 1 . 2]" 2
545 1 32 GLU HA 1 35 LEU H 3.150 . 4.500 3.713 3.456 3.978 . 0 0 "[ . 1 . 2]" 2
546 1 32 GLU H 1 32 GLU HA 2.650 . 3.500 2.776 2.743 2.800 . 0 0 "[ . 1 . 2]" 2
547 1 75 LYS H 1 75 LYS HA 2.650 . 3.500 2.855 2.826 2.875 . 0 0 "[ . 1 . 2]" 2
548 1 21 PHE HA 1 24 VAL H 3.150 . 4.500 3.575 3.493 3.724 . 0 0 "[ . 1 . 2]" 2
549 1 21 PHE HA 1 22 ASN H 3.150 . 4.500 3.490 3.426 3.541 . 0 0 "[ . 1 . 2]" 2
550 1 4 LEU HA 1 5 GLU H 2.650 . 3.500 3.179 3.023 3.419 . 0 0 "[ . 1 . 2]" 2
551 1 4 LEU H 1 4 LEU HA 2.650 . 3.500 2.870 2.815 2.937 . 0 0 "[ . 1 . 2]" 2
552 1 69 ILE HA 1 70 LEU H 3.150 . 4.500 3.542 3.520 3.568 . 0 0 "[ . 1 . 2]" 2
553 1 25 MET HA 1 28 LEU H 3.150 . 4.500 3.692 3.500 3.821 . 0 0 "[ . 1 . 2]" 2
554 1 86 ILE HA 1 87 LEU H 3.150 . 4.500 3.525 3.498 3.543 . 0 0 "[ . 1 . 2]" 2
555 1 25 MET HA 1 26 GLN H 2.650 . 3.500 3.505 3.465 3.524 0.024 18 0 "[ . 1 . 2]" 2
556 1 25 MET H 1 25 MET HA 2.650 . 3.500 2.790 2.776 2.800 . 0 0 "[ . 1 . 2]" 2
557 1 86 ILE H 1 86 ILE HA 2.650 . 3.500 2.827 2.816 2.841 . 0 0 "[ . 1 . 2]" 2
558 1 74 TYR H 1 74 TYR HB2 2.650 . 3.500 3.349 3.126 3.537 0.037 18 0 "[ . 1 . 2]" 2
559 1 82 VAL HA 1 85 LEU H 3.150 . 4.500 3.311 3.141 3.454 . 0 0 "[ . 1 . 2]" 2
560 1 82 VAL H 1 82 VAL HA 2.650 . 3.500 2.824 2.812 2.839 . 0 0 "[ . 1 . 2]" 2
561 1 24 VAL HA 1 27 ILE H 2.650 . 3.500 3.116 2.958 3.305 . 0 0 "[ . 1 . 2]" 2
562 1 51 SER H 1 51 SER HB3 2.300 . 2.800 2.483 2.311 2.599 . 0 0 "[ . 1 . 2]" 2
563 1 69 ILE HA 1 73 TYR H 3.150 . 4.500 3.709 3.537 3.939 . 0 0 "[ . 1 . 2]" 2
564 1 31 ILE H 1 31 ILE HA 2.650 . 3.500 2.861 2.838 2.886 . 0 0 "[ . 1 . 2]" 2
565 1 48 VAL H 1 48 VAL HA 2.650 . 2.800 2.801 2.760 2.824 0.024 14 0 "[ . 1 . 2]" 2
566 1 31 ILE HA 1 32 GLU H 3.150 . 4.500 3.506 3.463 3.542 . 0 0 "[ . 1 . 2]" 2
567 1 24 VAL H 1 24 VAL HA 2.650 . 3.500 2.824 2.792 2.853 . 0 0 "[ . 1 . 2]" 2
568 1 46 ILE HA 1 47 TYR H 3.150 . 4.500 3.573 3.543 3.588 . 0 0 "[ . 1 . 2]" 2
569 1 46 ILE H 1 46 ILE HA 2.650 . 3.500 2.763 2.748 2.796 . 0 0 "[ . 1 . 2]" 2
570 1 49 TYR H 1 49 TYR HB2 2.300 . 2.800 2.365 2.327 2.408 . 0 0 "[ . 1 . 2]" 2
571 1 62 PHE HA 1 65 MET H 3.150 . 4.500 3.847 3.730 3.995 . 0 0 "[ . 1 . 2]" 2
572 1 66 ILE HA 1 67 ALA H 3.150 . 4.500 3.529 3.486 3.555 . 0 0 "[ . 1 . 2]" 2
573 1 56 ILE H 1 56 ILE HA 2.650 . 3.500 2.811 2.781 2.836 . 0 0 "[ . 1 . 2]" 2
574 1 62 PHE H 1 62 PHE HA 2.650 . 3.500 2.815 2.784 2.853 . 0 0 "[ . 1 . 2]" 2
575 1 66 ILE HA 1 70 LEU H 3.150 . 4.500 3.612 3.537 3.709 . 0 0 "[ . 1 . 2]" 2
576 1 62 PHE HA 1 63 TYR H 3.150 . 4.500 3.537 3.519 3.565 . 0 0 "[ . 1 . 2]" 2
577 1 56 ILE HA 1 57 ARG H 3.150 . 4.500 3.533 3.450 3.570 . 0 0 "[ . 1 . 2]" 2
578 1 49 TYR HB2 1 50 SER H 2.650 . 3.500 2.924 2.778 3.132 . 0 0 "[ . 1 . 2]" 2
579 1 27 ILE HA 1 30 GLU H 3.150 . 4.500 3.689 3.566 3.793 . 0 0 "[ . 1 . 2]" 2
580 1 27 ILE HA 1 29 ASP H 3.150 . 4.500 4.418 4.187 4.520 0.020 16 0 "[ . 1 . 2]" 2
581 1 27 ILE H 1 27 ILE HA 2.650 . 3.500 2.807 2.793 2.814 . 0 0 "[ . 1 . 2]" 2
582 1 27 ILE HA 1 28 LEU H 3.150 . 4.500 3.510 3.484 3.536 . 0 0 "[ . 1 . 2]" 2
583 1 47 TYR H 1 47 TYR HB3 3.150 . 4.000 3.650 3.614 3.673 . 0 0 "[ . 1 . 2]" 2
584 1 52 HIS H 1 52 HIS HB2 2.650 . 3.500 2.602 2.400 2.809 . 0 0 "[ . 1 . 2]" 2
585 1 9 PHE H 1 9 PHE HB2 2.650 . 3.500 2.510 2.414 2.611 . 0 0 "[ . 1 . 2]" 2
586 1 6 ASP H 1 6 ASP HB3 2.650 . 3.500 2.630 2.445 2.886 . 0 0 "[ . 1 . 2]" 2
587 1 47 TYR HB3 1 48 VAL H 3.150 . 4.500 3.548 3.439 3.715 . 0 0 "[ . 1 . 2]" 2
588 1 6 ASP HB3 1 8 GLU H 3.150 . 4.500 3.793 3.267 4.060 . 0 0 "[ . 1 . 2]" 2
589 1 21 PHE H 1 21 PHE HB3 3.150 . 4.500 2.455 2.332 2.573 . 0 0 "[ . 1 . 2]" 2
590 1 21 PHE HB3 1 22 ASN H 3.150 . 4.500 2.723 2.489 2.863 . 0 0 "[ . 1 . 2]" 2
591 1 73 TYR HB2 1 74 TYR H 3.150 . 4.500 3.523 3.403 3.624 . 0 0 "[ . 1 . 2]" 2
592 1 73 TYR H 1 73 TYR HB2 3.150 . 4.500 2.406 2.313 2.479 . 0 0 "[ . 1 . 2]" 2
593 1 6 ASP H 1 6 ASP HB2 2.650 . 3.500 2.720 2.441 3.127 . 0 0 "[ . 1 . 2]" 2
594 1 72 ARG H 1 72 ARG HD2 3.150 . 4.500 4.431 4.215 4.585 0.085 7 0 "[ . 1 . 2]" 2
595 1 20 ASN HB2 1 23 LEU H 3.150 . 4.500 3.873 2.528 4.253 . 0 0 "[ . 1 . 2]" 2
596 1 21 PHE H 1 21 PHE HB2 3.150 . 4.500 2.597 2.446 2.671 . 0 0 "[ . 1 . 2]" 2
597 1 47 TYR HB2 1 48 VAL H 2.650 . 3.500 2.278 2.162 2.489 . 0 0 "[ . 1 . 2]" 2
598 1 47 TYR H 1 47 TYR HB2 2.650 . 3.500 2.760 2.687 2.810 . 0 0 "[ . 1 . 2]" 2
599 1 15 PHE H 1 15 PHE HB3 2.650 . 3.500 2.722 2.397 3.572 0.072 1 0 "[ . 1 . 2]" 2
600 1 21 PHE HB2 1 22 ASN H 2.900 . 4.000 3.986 3.837 4.047 0.047 1 0 "[ . 1 . 2]" 2
601 1 9 PHE HB3 1 10 VAL H 3.150 . 4.500 2.594 2.461 2.708 . 0 0 "[ . 1 . 2]" 2
602 1 9 PHE H 1 9 PHE HB3 2.650 . 3.500 2.577 2.510 2.620 . 0 0 "[ . 1 . 2]" 2
603 1 64 ASP H 1 64 ASP HB2 2.300 . 2.800 2.660 2.500 2.804 0.004 9 0 "[ . 1 . 2]" 2
604 1 74 TYR H 1 74 TYR HB3 2.650 . 3.500 2.150 2.028 2.280 . 0 0 "[ . 1 . 2]" 2
605 1 64 ASP HB2 1 65 MET H 3.150 . 4.500 3.854 3.679 4.051 . 0 0 "[ . 1 . 2]" 2
606 1 59 ASN H 1 59 ASN HB2 2.650 . 2.800 2.660 2.478 2.767 . 0 0 "[ . 1 . 2]" 2
607 1 59 ASN HB2 1 59 ASN HD21 3.150 . 4.500 2.370 2.200 3.471 . 0 0 "[ . 1 . 2]" 2
608 1 40 ASN H 1 40 ASN HB2 2.650 . 3.500 2.696 2.379 3.316 . 0 0 "[ . 1 . 2]" 2
609 1 40 ASN HB2 1 43 THR H 3.150 . 4.500 3.900 2.500 4.513 0.013 1 0 "[ . 1 . 2]" 2
610 1 20 ASN HB3 1 21 PHE H 3.150 . 4.500 3.880 3.388 4.085 . 0 0 "[ . 1 . 2]" 2
611 1 20 ASN HB3 1 23 LEU H 2.650 . 3.500 2.504 2.322 2.796 . 0 0 "[ . 1 . 2]" 2
612 1 49 TYR H 1 49 TYR HB3 3.150 . 4.500 3.581 3.555 3.603 . 0 0 "[ . 1 . 2]" 2
613 1 30 GLU H 1 30 GLU QG 3.150 . 4.500 3.702 2.029 4.028 . 0 0 "[ . 1 . 2]" 2
614 1 81 ASN H 1 81 ASN HB2 2.650 . 3.500 2.425 2.289 2.561 . 0 0 "[ . 1 . 2]" 2
615 1 63 TYR H 1 63 TYR HB3 3.150 . 4.500 3.603 3.583 3.643 . 0 0 "[ . 1 . 2]" 2
616 1 81 ASN HB2 1 81 ASN HD21 3.150 . 4.500 2.608 2.204 3.483 . 0 0 "[ . 1 . 2]" 2
617 1 49 TYR HB3 1 50 SER H 3.150 . 4.500 3.675 3.569 3.853 . 0 0 "[ . 1 . 2]" 2
618 1 20 ASN HB3 1 20 ASN HD21 3.150 . 4.500 3.078 2.844 3.482 . 0 0 "[ . 1 . 2]" 2
619 1 59 ASN H 1 59 ASN HB3 2.900 . 4.000 3.772 3.660 3.853 . 0 0 "[ . 1 . 2]" 2
620 1 73 TYR H 1 73 TYR HB3 3.150 . 4.500 3.627 3.566 3.675 . 0 0 "[ . 1 . 2]" 2
621 1 59 ASN HB3 1 59 ASN HD21 3.150 . 3.500 3.350 2.284 3.506 0.006 10 0 "[ . 1 . 2]" 2
622 1 64 ASP HB3 1 65 MET H 2.300 . 2.800 2.536 2.329 2.736 . 0 0 "[ . 1 . 2]" 2
623 1 64 ASP H 1 64 ASP HB3 2.650 . 3.500 2.515 2.359 2.642 . 0 0 "[ . 1 . 2]" 2
624 1 29 ASP HB3 1 30 GLU H 2.650 . 3.500 2.247 2.176 2.333 . 0 0 "[ . 1 . 2]" 2
625 1 29 ASP H 1 29 ASP HB3 2.650 . 3.500 2.550 2.419 2.666 . 0 0 "[ . 1 . 2]" 2
626 1 54 ASP QB 1 55 GLU H 3.150 . 4.500 2.559 2.383 3.549 . 0 0 "[ . 1 . 2]" 2
627 1 54 ASP H 1 54 ASP QB 2.650 . 3.500 2.325 2.236 2.538 . 0 0 "[ . 1 . 2]" 2
628 1 81 ASN HB3 1 81 ASN HD21 3.150 . 4.500 2.851 2.202 3.494 . 0 0 "[ . 1 . 2]" 2
629 1 39 ASP H 1 39 ASP HB3 3.150 . 4.500 2.968 2.507 3.682 . 0 0 "[ . 1 . 2]" 2
630 1 30 GLU H 1 30 GLU HB3 2.650 . 3.500 2.885 2.673 3.585 0.085 5 0 "[ . 1 . 2]" 2
631 1 83 ASN H 1 83 ASN HB3 3.150 . 4.500 3.304 2.503 3.658 . 0 0 "[ . 1 . 2]" 2
632 1 26 GLN H 1 26 GLN HG2 3.150 . 4.500 4.397 4.337 4.465 . 0 0 "[ . 1 . 2]" 2
633 1 71 GLN H 1 71 GLN HG2 2.650 . 3.500 3.270 3.033 3.500 . 0 0 "[ . 1 . 2]" 2
634 1 84 GLN HE22 1 84 GLN QG 3.150 . 4.500 3.262 3.222 3.280 . 0 0 "[ . 1 . 2]" 2
635 1 26 GLN HE21 1 26 GLN HG2 3.150 . 3.500 2.870 2.841 2.899 . 0 0 "[ . 1 . 2]" 2
636 1 63 TYR HB2 1 64 ASP H 3.150 . 4.500 3.151 3.004 3.312 . 0 0 "[ . 1 . 2]" 2
637 1 30 GLU HB3 1 31 ILE H 3.150 . 4.500 2.702 2.469 3.345 . 0 0 "[ . 1 . 2]" 2
638 1 59 ASN HB3 1 60 LYS H 3.150 . 4.500 4.315 4.180 4.433 . 0 0 "[ . 1 . 2]" 2
639 1 52 HIS H 1 52 HIS HB3 3.150 . 4.500 3.741 3.616 3.884 . 0 0 "[ . 1 . 2]" 2
640 1 61 GLU H 1 61 GLU QG 3.150 . 3.500 2.290 1.796 3.395 0.004 3 0 "[ . 1 . 2]" 2
641 1 80 GLU H 1 80 GLU QG 3.150 . 3.500 2.502 1.996 3.683 0.183 9 0 "[ . 1 . 2]" 2
642 1 25 MET H 1 25 MET QG 3.150 . 4.500 3.987 3.951 4.086 . 0 0 "[ . 1 . 2]" 2
643 1 8 GLU H 1 8 GLU HG2 2.650 . 3.500 2.316 2.091 3.097 . 0 0 "[ . 1 . 2]" 2
644 1 14 GLN H 1 14 GLN HG3 3.150 . 3.500 2.325 2.236 2.469 . 0 0 "[ . 1 . 2]" 2
645 1 55 GLU H 1 55 GLU HG3 3.400 . 5.000 4.427 3.063 4.575 . 0 0 "[ . 1 . 2]" 2
646 1 84 GLN QB 1 85 LEU H 3.150 . 4.500 2.483 2.400 2.594 . 0 0 "[ . 1 . 2]" 2
647 1 26 GLN HE21 1 26 GLN HG3 2.650 . 3.500 2.226 2.165 2.262 . 0 0 "[ . 1 . 2]" 2
648 1 26 GLN HE22 1 26 GLN HG3 3.150 . 3.500 3.469 3.448 3.496 . 0 0 "[ . 1 . 2]" 2
649 1 61 GLU H 1 61 GLU HB3 2.650 . 3.500 3.493 2.826 3.548 0.048 4 0 "[ . 1 . 2]" 2
650 1 65 MET HB2 1 66 ILE H 3.150 . 4.500 2.743 2.510 2.943 . 0 0 "[ . 1 . 2]" 2
651 1 77 ILE HB 1 78 GLY H 3.150 . 4.500 3.902 3.817 4.015 . 0 0 "[ . 1 . 2]" 2
652 1 77 ILE H 1 77 ILE HB 3.150 . 4.500 3.818 3.758 3.868 . 0 0 "[ . 1 . 2]" 2
653 1 82 VAL H 1 82 VAL HB 2.300 . 2.800 2.697 2.578 2.764 . 0 0 "[ . 1 . 2]" 2
654 1 26 GLN QB 1 27 ILE H 2.300 . 2.800 2.660 2.578 2.752 . 0 0 "[ . 1 . 2]" 2
655 1 8 GLU H 1 8 GLU HB2 2.650 . 3.500 2.536 2.426 2.617 . 0 0 "[ . 1 . 2]" 2
656 1 80 GLU H 1 80 GLU HB2 2.300 . 2.800 2.597 2.266 2.807 0.007 5 0 "[ . 1 . 2]" 2
657 1 48 VAL HB 1 49 TYR H 2.650 . 3.500 2.549 2.428 2.650 . 0 0 "[ . 1 . 2]" 2
658 1 31 ILE HB 1 32 GLU H 3.150 . 4.500 3.820 3.782 3.895 . 0 0 "[ . 1 . 2]" 2
659 1 76 LYS H 1 76 LYS QB 2.300 . 2.800 2.368 2.228 2.490 . 0 0 "[ . 1 . 2]" 2
660 1 13 ARG H 1 13 ARG QB 2.650 . 3.500 2.406 2.191 2.665 . 0 0 "[ . 1 . 2]" 2
661 1 87 LEU HB2 1 88 THR H 3.150 . 4.500 2.590 2.467 2.722 . 0 0 "[ . 1 . 2]" 2
662 1 76 LYS QB 1 77 ILE H 3.150 . 4.500 2.505 2.345 2.716 . 0 0 "[ . 1 . 2]" 2
663 1 36 ARG QB 1 37 GLY H 3.150 . 4.500 2.755 1.804 3.977 . 0 0 "[ . 1 . 2]" 2
664 1 79 ILE H 1 79 ILE HB 2.650 . 3.500 2.663 2.612 2.962 . 0 0 "[ . 1 . 2]" 2
665 1 85 LEU H 1 85 LEU HB2 2.650 . 3.500 2.505 2.469 2.566 . 0 0 "[ . 1 . 2]" 2
666 1 58 LYS QB 1 59 ASN H 2.650 . 3.500 2.481 2.162 2.956 . 0 0 "[ . 1 . 2]" 2
667 1 14 GLN H 1 14 GLN QB 2.650 . 3.500 2.401 2.328 2.493 . 0 0 "[ . 1 . 2]" 2
668 1 58 LYS QB 1 59 ASN HD21 3.150 . 4.500 2.790 2.170 4.515 0.015 12 0 "[ . 1 . 2]" 2
669 1 5 GLU H 1 5 GLU HB3 2.900 . 4.000 3.528 2.892 3.631 . 0 0 "[ . 1 . 2]" 2
670 1 32 GLU H 1 32 GLU HB3 2.300 . 2.800 2.439 2.346 2.503 . 0 0 "[ . 1 . 2]" 2
671 1 57 ARG H 1 57 ARG QB 2.300 . 2.800 2.515 2.150 2.734 . 0 0 "[ . 1 . 2]" 2
672 1 60 LYS HB2 1 64 ASP H 3.400 . 5.000 4.741 4.289 5.030 0.030 16 0 "[ . 1 . 2]" 2
673 1 42 LYS H 1 42 LYS QB 2.650 . 3.500 2.597 2.353 2.827 . 0 0 "[ . 1 . 2]" 2
674 1 46 ILE HB 1 47 TYR H 2.650 . 3.500 2.569 2.404 2.662 . 0 0 "[ . 1 . 2]" 2
675 1 65 MET H 1 65 MET HB3 3.150 . 4.500 3.608 3.532 3.640 . 0 0 "[ . 1 . 2]" 2
676 1 28 LEU HB2 1 29 ASP H 2.650 . 3.500 2.612 2.431 3.602 0.102 17 0 "[ . 1 . 2]" 2
677 1 8 GLU H 1 8 GLU HB3 3.150 . 4.500 3.615 3.570 3.682 . 0 0 "[ . 1 . 2]" 2
678 1 60 LYS HB2 1 61 GLU H 2.900 . 4.000 3.931 3.739 4.075 0.075 7 0 "[ . 1 . 2]" 2
679 1 46 ILE H 1 46 ILE HB 2.300 . 2.800 2.587 2.510 2.639 . 0 0 "[ . 1 . 2]" 2
680 1 42 LYS QB 1 43 THR H 2.650 . 3.500 3.312 2.078 3.567 0.067 9 0 "[ . 1 . 2]" 2
681 1 66 ILE HB 1 67 ALA H 3.150 . 4.000 3.847 3.781 3.942 . 0 0 "[ . 1 . 2]" 2
682 1 55 GLU H 1 55 GLU HB3 2.650 . 3.500 2.620 2.151 3.548 0.048 14 0 "[ . 1 . 2]" 2
683 1 24 VAL H 1 24 VAL HB 2.650 . 2.800 2.610 2.520 2.673 . 0 0 "[ . 1 . 2]" 2
684 1 70 LEU HG 1 71 GLN H 3.400 . 5.000 4.413 4.340 4.501 . 0 0 "[ . 1 . 2]" 2
685 1 91 LYS H 1 91 LYS QB 2.650 . 3.500 2.378 2.149 2.587 . 0 0 "[ . 1 . 2]" 2
686 1 86 ILE H 1 87 LEU HG 3.150 . 4.500 4.458 4.268 4.523 0.023 14 0 "[ . 1 . 2]" 2
687 1 84 GLN H 1 87 LEU HG 3.400 . 5.000 4.937 4.702 5.023 0.023 6 0 "[ . 1 . 2]" 2
688 1 35 LEU H 1 35 LEU HG 3.150 . 4.500 4.430 4.305 4.506 0.006 19 0 "[ . 1 . 2]" 2
689 1 53 LEU H 1 53 LEU HG 2.300 . 2.800 2.340 2.214 2.410 . 0 0 "[ . 1 . 2]" 2
690 1 52 HIS H 1 53 LEU HG 3.150 . 4.500 3.975 3.459 4.390 . 0 0 "[ . 1 . 2]" 2
691 1 53 LEU HG 1 54 ASP H 3.150 . 4.500 4.526 4.446 4.564 0.064 11 0 "[ . 1 . 2]" 2
692 1 23 LEU HB2 1 24 VAL H 3.150 . 4.500 3.920 3.719 4.016 . 0 0 "[ . 1 . 2]" 2
693 1 46 ILE H 1 46 ILE HG12 2.900 . 4.000 3.305 3.236 3.366 . 0 0 "[ . 1 . 2]" 2
694 1 67 ALA H 1 67 ALA MB 2.650 . 3.500 2.249 2.235 2.264 . 0 0 "[ . 1 . 2]" 2
695 1 67 ALA MB 1 68 GLU H 3.150 . 4.500 2.523 2.446 2.665 . 0 0 "[ . 1 . 2]" 2
696 1 75 LYS HB2 1 76 LYS H 2.650 . 3.500 3.020 2.386 3.587 0.087 7 0 "[ . 1 . 2]" 2
697 1 53 LEU HB3 1 54 ASP H 3.150 . 4.500 3.456 3.220 3.646 . 0 0 "[ . 1 . 2]" 2
698 1 77 ILE HG13 1 78 GLY H 3.150 . 3.500 2.548 2.387 2.760 . 0 0 "[ . 1 . 2]" 2
699 1 77 ILE H 1 77 ILE HG13 2.650 . 3.500 2.996 2.887 3.271 . 0 0 "[ . 1 . 2]" 2
700 1 35 LEU H 1 35 LEU HB3 2.650 . 3.500 2.441 2.249 2.709 . 0 0 "[ . 1 . 2]" 2
701 1 45 ILE H 1 45 ILE HB 2.650 . 3.500 2.488 2.423 2.525 . 0 0 "[ . 1 . 2]" 2
702 1 23 LEU HB3 1 24 VAL H 3.150 . 4.500 2.667 2.293 2.828 . 0 0 "[ . 1 . 2]" 2
703 1 4 LEU H 1 4 LEU HB2 2.650 . 3.500 2.444 2.345 2.510 . 0 0 "[ . 1 . 2]" 2
704 1 4 LEU HB2 1 5 GLU H 3.150 . 4.500 3.580 3.209 3.824 . 0 0 "[ . 1 . 2]" 2
705 1 42 LYS H 1 42 LYS HG3 2.650 . 3.500 3.035 1.795 3.505 0.005 9 0 "[ . 1 . 2]" 2
706 1 28 LEU HB3 1 29 ASP H 3.150 . 4.500 3.671 3.533 4.215 . 0 0 "[ . 1 . 2]" 2
707 1 28 LEU H 1 28 LEU HB3 3.150 . 4.500 3.514 2.941 3.556 . 0 0 "[ . 1 . 2]" 2
708 1 60 LYS QG 1 61 GLU H 3.150 . 4.500 2.506 2.066 3.064 . 0 0 "[ . 1 . 2]" 2
709 1 72 ARG H 1 72 ARG HB3 2.650 . 3.500 2.336 2.170 2.670 . 0 0 "[ . 1 . 2]" 2
710 1 18 LYS H 1 18 LYS HG3 2.650 . 3.500 2.903 2.340 3.595 0.095 15 0 "[ . 1 . 2]" 2
711 1 72 ARG HB3 1 73 TYR H 3.150 . 4.500 2.389 2.243 2.512 . 0 0 "[ . 1 . 2]" 2
712 1 48 VAL H 1 48 VAL MG1 3.150 . 4.500 3.727 3.668 3.750 . 0 0 "[ . 1 . 2]" 2
713 1 75 LYS H 1 75 LYS HB3 3.150 . 4.500 3.540 2.489 3.636 . 0 0 "[ . 1 . 2]" 2
714 1 85 LEU HB3 1 86 ILE H 3.150 . 4.500 3.742 3.627 3.891 . 0 0 "[ . 1 . 2]" 2
715 1 85 LEU H 1 85 LEU HB3 3.150 . 4.500 3.609 3.576 3.634 . 0 0 "[ . 1 . 2]" 2
716 1 75 LYS HB3 1 76 LYS H 3.150 . 4.500 3.814 2.423 4.114 . 0 0 "[ . 1 . 2]" 2
717 1 77 ILE H 1 77 ILE HG12 2.650 . 3.500 2.223 2.100 2.329 . 0 0 "[ . 1 . 2]" 2
718 1 27 ILE H 1 27 ILE HG12 2.650 . 3.500 2.157 2.123 2.209 . 0 0 "[ . 1 . 2]" 2
719 1 27 ILE HG12 1 28 LEU H 3.150 . 4.500 4.091 4.025 4.157 . 0 0 "[ . 1 . 2]" 2
720 1 43 THR H 1 43 THR MG 3.150 . 4.500 3.688 3.639 3.761 . 0 0 "[ . 1 . 2]" 2
721 1 77 ILE HG12 1 78 GLY H 3.150 . 4.500 2.983 2.605 3.185 . 0 0 "[ . 1 . 2]" 2
722 1 79 ILE H 1 79 ILE MG 3.150 . 4.500 2.088 1.946 2.194 . 0 0 "[ . 1 . 2]" 2
723 1 31 ILE H 1 48 VAL MG2 3.150 . 4.500 2.847 2.748 2.947 . 0 0 "[ . 1 . 2]" 2
724 1 79 ILE MG 1 80 GLU H 2.650 . 3.500 2.244 2.154 2.352 . 0 0 "[ . 1 . 2]" 2
725 1 48 VAL H 1 48 VAL MG2 3.150 . 3.500 1.970 1.810 2.089 . 0 0 "[ . 1 . 2]" 2
726 1 82 VAL MG1 1 83 ASN H 3.150 . 4.500 3.598 3.489 3.678 . 0 0 "[ . 1 . 2]" 2
727 1 70 LEU HB3 1 71 GLN H 3.150 . 4.500 3.465 3.388 3.509 . 0 0 "[ . 1 . 2]" 2
728 1 46 ILE H 1 46 ILE HG13 2.650 . 3.500 2.066 1.995 2.154 . 0 0 "[ . 1 . 2]" 2
729 1 41 ILE H 1 41 ILE HB 3.150 . 4.500 2.678 2.494 2.806 . 0 0 "[ . 1 . 2]" 2
730 1 41 ILE HB 1 42 LYS H 3.150 . 4.500 4.109 3.993 4.231 . 0 0 "[ . 1 . 2]" 2
731 1 82 VAL H 1 82 VAL MG2 3.150 . 4.500 1.953 1.905 2.053 . 0 0 "[ . 1 . 2]" 2
732 1 10 VAL H 1 10 VAL MG1 2.650 . 3.500 2.311 2.221 2.511 . 0 0 "[ . 1 . 2]" 2
733 1 10 VAL MG2 1 11 LYS H 3.150 . 4.500 3.899 3.796 4.061 . 0 0 "[ . 1 . 2]" 2
734 1 24 VAL H 1 24 VAL MG2 3.150 . 3.500 2.043 1.972 2.187 . 0 0 "[ . 1 . 2]" 2
735 1 24 VAL MG2 1 25 MET H 3.150 . 4.500 3.718 3.609 3.825 . 0 0 "[ . 1 . 2]" 2
736 1 77 ILE H 1 77 ILE MG 3.150 . 4.500 2.961 2.732 3.084 . 0 0 "[ . 1 . 2]" 2
737 1 66 ILE HG13 1 67 ALA H 2.650 . 3.500 2.232 2.094 2.429 . 0 0 "[ . 1 . 2]" 2
738 1 75 LYS H 1 75 LYS QG 3.150 . 4.500 2.465 2.046 3.954 . 0 0 "[ . 1 . 2]" 2
739 1 70 LEU H 1 70 LEU MD2 3.150 . 4.500 3.425 3.319 3.505 . 0 0 "[ . 1 . 2]" 2
740 1 66 ILE H 1 66 ILE HG13 2.650 . 3.500 3.147 3.054 3.271 . 0 0 "[ . 1 . 2]" 2
741 1 49 TYR H 1 56 ILE HG13 3.400 . 5.000 4.741 4.646 4.833 . 0 0 "[ . 1 . 2]" 2
742 1 46 ILE MG 1 47 TYR H 3.150 . 4.500 3.319 3.180 3.468 . 0 0 "[ . 1 . 2]" 2
743 1 24 VAL H 1 24 VAL MG1 3.150 . 4.500 3.806 3.777 3.828 . 0 0 "[ . 1 . 2]" 2
744 1 28 LEU H 1 28 LEU MD1 2.650 . 3.500 3.466 3.187 3.507 0.007 1 0 "[ . 1 . 2]" 2
745 1 28 LEU MD1 1 84 GLN H 3.150 . 4.500 4.464 4.352 4.524 0.024 18 0 "[ . 1 . 2]" 2
746 1 24 VAL MG1 1 25 MET H 3.150 . 4.500 3.448 3.356 3.539 . 0 0 "[ . 1 . 2]" 2
747 1 31 ILE H 1 31 ILE MD 3.150 . 4.500 3.771 3.695 3.824 . 0 0 "[ . 1 . 2]" 2
748 1 41 ILE MG 1 42 LYS H 3.150 . 4.500 2.277 2.067 2.390 . 0 0 "[ . 1 . 2]" 2
749 1 70 LEU H 1 70 LEU MD1 3.150 . 4.500 3.537 3.451 3.597 . 0 0 "[ . 1 . 2]" 2
750 1 46 ILE H 1 46 ILE MD 3.150 . 4.500 3.594 3.543 3.657 . 0 0 "[ . 1 . 2]" 2
751 1 70 LEU MD1 1 71 GLN H 3.150 . 4.500 4.400 4.325 4.466 . 0 0 "[ . 1 . 2]" 2
752 1 35 LEU H 1 35 LEU MD1 3.150 . 4.500 4.128 4.046 4.256 . 0 0 "[ . 1 . 2]" 2
753 1 31 ILE MG 1 32 GLU H 3.150 . 4.500 3.935 3.881 3.982 . 0 0 "[ . 1 . 2]" 2
754 1 12 LEU H 1 12 LEU MD1 3.150 . 4.500 3.633 3.578 3.719 . 0 0 "[ . 1 . 2]" 2
755 1 35 LEU MD1 1 40 ASN H 3.150 . 4.500 3.610 2.571 4.531 0.031 11 0 "[ . 1 . 2]" 2
756 1 31 ILE H 1 31 ILE MG 3.150 . 4.500 2.320 2.284 2.406 . 0 0 "[ . 1 . 2]" 2
757 1 66 ILE MG 1 67 ALA H 3.150 . 4.500 4.063 4.018 4.103 . 0 0 "[ . 1 . 2]" 2
758 1 66 ILE H 1 66 ILE MG 3.150 . 4.500 2.370 2.319 2.428 . 0 0 "[ . 1 . 2]" 2
759 1 85 LEU H 1 85 LEU MD2 3.150 . 4.500 3.283 3.084 3.402 . 0 0 "[ . 1 . 2]" 2
760 1 56 ILE HG12 1 57 ARG H 3.150 . 4.500 4.141 4.037 4.236 . 0 0 "[ . 1 . 2]" 2
761 1 45 ILE H 1 45 ILE HG13 3.150 . 4.500 3.649 3.621 3.697 . 0 0 "[ . 1 . 2]" 2
762 1 56 ILE H 1 56 ILE MG 3.150 . 4.500 3.806 3.777 3.838 . 0 0 "[ . 1 . 2]" 2
763 1 3 ILE MG 1 4 LEU H 3.150 . 4.500 3.038 2.291 4.163 . 0 0 "[ . 1 . 2]" 2
764 1 87 LEU H 1 87 LEU MD1 3.150 . 4.500 3.665 3.597 3.721 . 0 0 "[ . 1 . 2]" 2
765 1 27 ILE H 1 27 ILE MD 3.150 . 4.500 3.200 3.151 3.263 . 0 0 "[ . 1 . 2]" 2
766 1 27 ILE H 1 27 ILE HG13 3.150 . 4.500 3.648 3.622 3.690 . 0 0 "[ . 1 . 2]" 2
767 1 15 PHE H 1 16 LYS H 3.150 . 4.500 2.518 2.277 2.675 . 0 0 "[ . 1 . 2]" 2
768 1 38 SER HA 1 39 ASP H 3.150 . 4.500 2.923 2.150 3.623 . 0 0 "[ . 1 . 2]" 2
769 1 88 THR HB 1 89 THR H 2.650 . 3.500 2.790 2.494 2.922 . 0 0 "[ . 1 . 2]" 2
770 1 83 ASN HA 1 84 GLN H 3.150 . 4.500 3.495 3.472 3.518 . 0 0 "[ . 1 . 2]" 2
771 1 11 LYS HA 1 15 PHE H 3.150 . 4.500 4.227 3.896 4.513 0.013 9 0 "[ . 1 . 2]" 2
772 1 59 ASN H 1 60 LYS HA 3.150 . 4.500 4.188 4.011 4.362 . 0 0 "[ . 1 . 2]" 2
773 1 44 SER HA 1 47 TYR H 3.150 . 4.500 3.586 3.334 3.689 . 0 0 "[ . 1 . 2]" 2
774 1 17 GLY HA3 1 18 LYS H 2.650 . 3.500 2.999 2.246 3.521 0.021 12 0 "[ . 1 . 2]" 2
775 1 63 TYR HA 1 65 MET H 3.150 . 4.500 4.450 4.288 4.527 0.027 12 0 "[ . 1 . 2]" 2
776 1 13 ARG HA 1 14 GLN H 3.150 . 4.500 3.466 3.406 3.523 . 0 0 "[ . 1 . 2]" 2
777 1 60 LYS HA 1 63 TYR H 3.150 . 4.500 3.427 3.142 3.902 . 0 0 "[ . 1 . 2]" 2
778 1 7 PRO HA 1 8 GLU H 3.150 . 4.500 3.550 3.514 3.605 . 0 0 "[ . 1 . 2]" 2
779 1 65 MET HA 1 69 ILE H 3.150 . 4.500 4.203 3.907 4.499 . 0 0 "[ . 1 . 2]" 2
780 1 32 GLU HA 1 33 LEU H 3.150 . 4.500 3.546 3.524 3.582 . 0 0 "[ . 1 . 2]" 2
781 1 86 ILE HA 1 89 THR H 3.150 . 4.500 3.245 3.093 3.393 . 0 0 "[ . 1 . 2]" 2
782 1 50 SER H 1 50 SER HA 2.650 . 3.500 2.843 2.812 2.878 . 0 0 "[ . 1 . 2]" 2
783 1 74 TYR HA 1 78 GLY H 3.150 . 4.500 2.391 2.202 2.745 . 0 0 "[ . 1 . 2]" 2
784 1 60 LYS H 1 60 LYS HA 2.650 . 2.800 2.782 2.730 2.816 0.016 11 0 "[ . 1 . 2]" 2
785 1 44 SER HB2 1 45 ILE H 3.150 . 4.500 2.551 2.394 2.693 . 0 0 "[ . 1 . 2]" 2
786 1 24 VAL HA 1 26 GLN H 3.150 . 4.500 4.215 4.058 4.352 . 0 0 "[ . 1 . 2]" 2
787 1 57 ARG HA 1 58 LYS H 2.650 . 3.500 3.478 3.400 3.530 0.030 8 0 "[ . 1 . 2]" 2
788 1 48 VAL HA 1 50 SER H 3.150 . 4.500 4.402 4.250 4.510 0.010 1 0 "[ . 1 . 2]" 2
789 1 29 ASP HB2 1 30 GLU H 2.650 . 3.500 3.533 3.505 3.560 0.060 5 0 "[ . 1 . 2]" 2
790 1 81 ASN HB3 1 82 VAL H 3.150 . 4.500 3.384 2.372 3.589 . 0 0 "[ . 1 . 2]" 2
791 1 81 ASN HB2 1 82 VAL H 2.650 . 3.500 2.641 2.370 3.424 . 0 0 "[ . 1 . 2]" 2
792 1 15 PHE H 1 15 PHE HB2 3.150 . 4.500 2.446 2.295 2.672 . 0 0 "[ . 1 . 2]" 2
793 1 73 TYR HB3 1 74 TYR H 3.150 . 4.500 4.036 3.910 4.132 . 0 0 "[ . 1 . 2]" 2
794 1 40 ASN HB3 1 43 THR H 3.150 . 4.500 2.623 2.127 3.341 . 0 0 "[ . 1 . 2]" 2
795 1 83 ASN HB2 1 84 GLN H 3.150 . 4.500 2.884 2.419 3.684 . 0 0 "[ . 1 . 2]" 2
796 1 59 ASN HB2 1 63 TYR H 3.150 . 4.500 4.103 3.594 4.437 . 0 0 "[ . 1 . 2]" 2
797 1 65 MET H 1 65 MET HG2 2.650 . 3.500 3.517 3.502 3.528 0.028 17 0 "[ . 1 . 2]" 2
798 1 70 LEU H 1 70 LEU HB2 2.650 . 3.500 2.498 2.449 2.539 . 0 0 "[ . 1 . 2]" 2
799 1 25 MET QG 1 26 GLN H 3.150 . 4.500 3.739 3.330 4.257 . 0 0 "[ . 1 . 2]" 2
800 1 59 ASN HB2 1 60 LYS H 3.150 . 4.500 4.356 4.180 4.445 . 0 0 "[ . 1 . 2]" 2
801 1 28 LEU H 1 28 LEU HB2 2.650 . 3.500 2.522 2.422 3.516 0.016 17 0 "[ . 1 . 2]" 2
802 1 32 GLU HG3 1 33 LEU H 3.150 . 4.500 4.518 4.415 4.567 0.067 13 0 "[ . 1 . 2]" 2
803 1 18 LYS H 1 18 LYS HB2 2.650 . 3.500 2.868 2.237 3.565 0.065 3 0 "[ . 1 . 2]" 2
804 1 36 ARG H 1 36 ARG QG 3.150 . 4.500 3.216 2.175 4.403 . 0 0 "[ . 1 . 2]" 2
805 1 80 GLU HB3 1 81 ASN H 2.650 . 3.500 3.496 2.603 3.597 0.097 11 0 "[ . 1 . 2]" 2
806 1 80 GLU QG 1 81 ASN H 3.150 . 4.500 4.025 3.588 4.175 . 0 0 "[ . 1 . 2]" 2
807 1 24 VAL HB 1 25 MET H 2.300 . 2.800 2.522 2.343 2.657 . 0 0 "[ . 1 . 2]" 2
808 1 58 LYS H 1 58 LYS QG 3.150 . 4.500 3.235 2.175 4.053 . 0 0 "[ . 1 . 2]" 2
809 1 57 ARG QG 1 58 LYS H 3.150 . 4.500 3.064 2.071 4.254 . 0 0 "[ . 1 . 2]" 2
810 1 42 LYS H 1 42 LYS QD 3.150 . 4.500 3.824 2.619 4.101 . 0 0 "[ . 1 . 2]" 2
811 1 45 ILE HB 1 46 ILE H 2.650 . 3.500 2.492 2.362 2.651 . 0 0 "[ . 1 . 2]" 2
812 1 75 LYS H 1 75 LYS HB2 2.650 . 3.500 2.445 2.324 2.566 . 0 0 "[ . 1 . 2]" 2
813 1 11 LYS HB2 1 12 LEU H 2.650 . 3.500 2.672 2.476 3.043 . 0 0 "[ . 1 . 2]" 2
814 1 53 LEU H 1 53 LEU HB3 3.150 . 4.500 3.608 3.564 3.637 . 0 0 "[ . 1 . 2]" 2
815 1 45 ILE H 1 45 ILE HG12 2.300 . 2.800 2.228 2.158 2.288 . 0 0 "[ . 1 . 2]" 2
816 1 31 ILE HB 1 45 ILE H 3.150 . 4.500 4.247 3.830 4.459 . 0 0 "[ . 1 . 2]" 2
817 1 89 THR H 1 90 ILE MG 3.150 . 4.500 4.412 4.137 4.547 0.047 9 0 "[ . 1 . 2]" 2
818 1 79 ILE H 1 79 ILE HG13 3.150 . 4.500 4.502 4.422 4.522 0.022 16 0 "[ . 1 . 2]" 2
819 1 86 ILE H 1 86 ILE MD 3.150 . 4.500 3.238 3.146 3.345 . 0 0 "[ . 1 . 2]" 2
820 1 8 GLU HB3 1 9 PHE H 3.150 . 4.500 3.798 3.609 4.044 . 0 0 "[ . 1 . 2]" 2
821 1 8 GLU HB2 1 9 PHE H 2.650 . 3.500 2.693 2.380 2.949 . 0 0 "[ . 1 . 2]" 2
822 1 8 GLU HG2 1 9 PHE H 3.150 . 4.500 4.130 3.889 4.590 0.090 19 0 "[ . 1 . 2]" 2
823 1 82 VAL H 1 82 VAL MG1 3.150 . 4.500 3.789 3.769 3.811 . 0 0 "[ . 1 . 2]" 2
824 1 28 LEU H 1 28 LEU MD2 3.150 . 4.500 3.284 3.118 3.388 . 0 0 "[ . 1 . 2]" 2
825 1 46 ILE H 1 46 ILE MG 3.150 . 4.500 3.790 3.768 3.806 . 0 0 "[ . 1 . 2]" 2
826 1 45 ILE H 1 45 ILE MD 3.150 . 4.500 3.345 3.205 3.501 . 0 0 "[ . 1 . 2]" 2
827 1 56 ILE H 1 56 ILE HG12 2.650 . 3.500 2.173 2.017 2.281 . 0 0 "[ . 1 . 2]" 2
828 1 74 TYR HA 1 75 LYS H 3.150 . 4.500 3.450 3.422 3.489 . 0 0 "[ . 1 . 2]" 2
829 1 74 TYR HB3 1 75 LYS H 3.150 . 4.500 3.412 3.179 3.733 . 0 0 "[ . 1 . 2]" 2
830 1 41 ILE HG12 1 45 ILE H 3.150 . 4.500 3.951 3.643 4.122 . 0 0 "[ . 1 . 2]" 2
831 1 33 LEU H 1 35 LEU H 3.150 . 4.500 4.295 4.068 4.415 . 0 0 "[ . 1 . 2]" 2
832 1 9 PHE H 1 10 VAL H 2.650 . 3.500 2.745 2.596 2.841 . 0 0 "[ . 1 . 2]" 2
833 1 9 PHE HA 1 10 VAL H 3.150 . 4.500 3.535 3.506 3.563 . 0 0 "[ . 1 . 2]" 2
834 1 11 LYS H 1 11 LYS HG2 3.150 . 4.500 3.383 2.047 3.615 . 0 0 "[ . 1 . 2]" 2
835 1 87 LEU H 1 87 LEU HB3 2.900 . 4.000 3.597 3.578 3.616 . 0 0 "[ . 1 . 2]" 2
836 1 69 ILE H 1 69 ILE HG12 2.650 . 3.500 3.409 3.277 3.494 . 0 0 "[ . 1 . 2]" 2
837 1 11 LYS H 1 11 LYS HA 2.650 . 3.500 2.812 2.748 2.834 . 0 0 "[ . 1 . 2]" 2
838 1 68 GLU HG3 1 69 ILE H 2.650 . 3.500 3.249 2.423 3.542 0.042 20 0 "[ . 1 . 2]" 2
839 1 31 ILE HG12 1 32 GLU H 2.650 . 3.500 2.673 2.573 2.786 . 0 0 "[ . 1 . 2]" 2
840 1 52 HIS H 1 53 LEU H 3.150 . 3.500 2.811 2.462 3.186 . 0 0 "[ . 1 . 2]" 2
841 1 58 LYS QG 1 59 ASN H 3.150 . 4.500 3.988 3.258 4.508 0.008 18 0 "[ . 1 . 2]" 2
842 1 56 ILE HA 1 59 ASN H 3.150 . 4.500 3.821 3.563 3.993 . 0 0 "[ . 1 . 2]" 2
843 1 33 LEU H 1 33 LEU MD1 3.150 . 4.500 3.524 3.382 3.670 . 0 0 "[ . 1 . 2]" 2
844 1 58 LYS H 1 59 ASN H 2.300 . 2.800 2.611 2.424 2.788 . 0 0 "[ . 1 . 2]" 2
845 1 59 ASN HA 1 60 LYS H 2.300 . 2.800 2.484 2.272 2.664 . 0 0 "[ . 1 . 2]" 2
846 1 36 ARG H 1 36 ARG HA 2.300 . 2.800 2.568 2.193 2.822 0.022 16 0 "[ . 1 . 2]" 2
847 1 83 ASN H 1 83 ASN HB2 2.300 . 2.800 2.461 2.331 2.546 . 0 0 "[ . 1 . 2]" 2
848 1 20 ASN HB3 1 22 ASN H 2.800 . 3.500 3.503 2.857 3.638 0.138 1 0 "[ . 1 . 2]" 2
849 1 34 ASP H 1 34 ASP HB2 2.300 . 2.800 2.663 2.450 2.789 . 0 0 "[ . 1 . 2]" 2
850 1 34 ASP H 1 34 ASP HB3 2.300 . 2.800 2.552 2.459 2.784 . 0 0 "[ . 1 . 2]" 2
851 1 84 GLN H 1 84 GLN QB 2.300 . 2.800 2.146 2.097 2.218 . 0 0 "[ . 1 . 2]" 2
852 1 5 GLU H 1 5 GLU HG3 2.550 . 3.300 2.422 1.895 3.371 0.071 15 0 "[ . 1 . 2]" 2
853 1 65 MET H 1 65 MET HB2 2.300 . 2.800 2.434 2.386 2.471 . 0 0 "[ . 1 . 2]" 2
854 1 26 GLN H 1 26 GLN QB 2.300 . 2.800 2.256 2.198 2.300 . 0 0 "[ . 1 . 2]" 2
855 1 82 VAL HB 1 83 ASN H 2.300 . 2.800 2.558 2.418 2.708 . 0 0 "[ . 1 . 2]" 2
856 1 71 GLN H 1 71 GLN HB3 2.800 . 3.800 3.601 3.564 3.649 . 0 0 "[ . 1 . 2]" 2
857 1 86 ILE H 1 86 ILE HB 2.300 . 2.800 2.543 2.512 2.571 . 0 0 "[ . 1 . 2]" 2
858 1 55 GLU H 1 55 GLU HB2 2.300 . 2.800 2.500 2.313 2.632 . 0 0 "[ . 1 . 2]" 2
859 1 86 ILE HB 1 87 LEU H 2.300 . 2.800 2.635 2.485 2.763 . 0 0 "[ . 1 . 2]" 2
860 1 48 VAL H 1 48 VAL HB 2.300 . 2.800 2.490 2.434 2.526 . 0 0 "[ . 1 . 2]" 2
861 1 25 MET H 1 25 MET HB2 2.300 . 2.800 2.554 2.466 2.726 . 0 0 "[ . 1 . 2]" 2
862 1 60 LYS H 1 60 LYS HB3 2.300 . 2.800 2.596 2.386 2.802 0.002 7 0 "[ . 1 . 2]" 2
863 1 28 LEU H 1 28 LEU HG 2.300 . 2.800 2.134 1.893 2.243 . 0 0 "[ . 1 . 2]" 2
864 1 35 LEU H 1 35 LEU HB2 2.300 . 2.800 2.501 2.283 2.655 . 0 0 "[ . 1 . 2]" 2
865 1 27 ILE H 1 27 ILE HB 2.300 . 2.800 2.595 2.556 2.629 . 0 0 "[ . 1 . 2]" 2
866 1 62 PHE H 1 62 PHE HB3 2.300 . 2.800 2.425 2.350 2.522 . 0 0 "[ . 1 . 2]" 2
867 1 58 LYS H 1 58 LYS QB 2.300 . 2.800 2.312 2.119 2.627 . 0 0 "[ . 1 . 2]" 2
868 1 60 LYS H 1 60 LYS HB2 2.800 . 3.800 3.625 3.551 3.697 . 0 0 "[ . 1 . 2]" 2
869 1 70 LEU H 1 70 LEU HG 2.300 . 2.800 2.285 2.184 2.344 . 0 0 "[ . 1 . 2]" 2
870 1 12 LEU H 1 12 LEU HG 2.300 . 2.800 2.367 2.249 2.581 . 0 0 "[ . 1 . 2]" 2
871 1 33 LEU H 1 33 LEU HG 2.300 . 2.800 2.220 2.085 2.333 . 0 0 "[ . 1 . 2]" 2
872 1 23 LEU H 1 23 LEU HB2 2.300 . 2.800 2.607 2.509 2.732 . 0 0 "[ . 1 . 2]" 2
873 1 56 ILE H 1 56 ILE HB 2.300 . 2.800 2.636 2.611 2.697 . 0 0 "[ . 1 . 2]" 2
874 1 25 MET H 1 25 MET HB3 2.300 . 2.800 2.478 2.398 2.528 . 0 0 "[ . 1 . 2]" 2
875 1 56 ILE HB 1 57 ARG H 2.300 . 2.800 2.508 2.340 2.607 . 0 0 "[ . 1 . 2]" 2
876 1 30 GLU H 1 31 ILE H 2.300 . 2.800 2.775 2.698 2.844 0.044 5 0 "[ . 1 . 2]" 2
877 1 30 GLU H 1 30 GLU HB2 2.300 . 2.800 2.271 2.117 2.663 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 106
_Distance_constraint_stats_list.Viol_count 107
_Distance_constraint_stats_list.Viol_total 53.411
_Distance_constraint_stats_list.Viol_max 0.094
_Distance_constraint_stats_list.Viol_rms 0.0073
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0250
_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 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.154 0.056 13 0 "[ . 1 . 2]"
1 9 PHE 0.032 0.014 7 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.003 0.003 7 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 0.619 0.076 13 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.409 0.094 9 0 "[ . 1 . 2]"
1 25 MET 0.619 0.076 13 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.028 0.012 13 0 "[ . 1 . 2]"
1 31 ILE 0.614 0.090 8 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.614 0.090 8 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 TYR 0.537 0.053 19 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.028 0.012 13 0 "[ . 1 . 2]"
1 56 ILE 0.505 0.053 19 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.499 0.094 9 0 "[ . 1 . 2]"
1 65 MET 0.003 0.003 7 0 "[ . 1 . 2]"
1 66 ILE 0.090 0.016 10 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.028 0.017 4 0 "[ . 1 . 2]"
1 72 ARG 0.129 0.070 7 0 "[ . 1 . 2]"
1 73 TYR 0.283 0.070 7 0 "[ . 1 . 2]"
1 74 TYR 0.056 0.028 20 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.028 0.028 20 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 THR 0.032 0.014 7 0 "[ . 1 . 2]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 72 ARG H 1 74 TYR QD 3.650 . 5.500 4.920 4.450 5.447 . 0 0 "[ . 1 . 2]" 3
2 1 73 TYR H 1 74 TYR QD 3.650 . 5.500 5.083 4.402 5.399 . 0 0 "[ . 1 . 2]" 3
3 1 46 ILE H 1 47 TYR QD 3.650 . 5.500 4.945 4.514 5.249 . 0 0 "[ . 1 . 2]" 3
4 1 49 TYR QD 1 63 TYR QD 3.650 . 5.500 4.677 4.259 5.305 . 0 0 "[ . 1 . 2]" 3
5 1 62 PHE QD 1 63 TYR QE 3.650 . 5.500 3.221 3.023 3.454 . 0 0 "[ . 1 . 2]" 3
6 1 73 TYR HA 1 73 TYR QD 2.650 . 3.500 2.970 2.877 3.076 . 0 0 "[ . 1 . 2]" 3
7 1 47 TYR HA 1 47 TYR QD 3.150 . 3.500 2.528 2.307 2.879 . 0 0 "[ . 1 . 2]" 3
8 1 9 PHE HA 1 9 PHE QD 3.150 . 4.500 2.829 2.655 3.077 . 0 0 "[ . 1 . 2]" 3
9 1 49 TYR HA 1 49 TYR QD 3.150 . 3.500 2.572 2.324 2.783 . 0 0 "[ . 1 . 2]" 3
10 1 74 TYR HA 1 74 TYR QD 3.150 . 4.500 3.437 3.197 3.682 . 0 0 "[ . 1 . 2]" 3
11 1 49 TYR HA 1 49 TYR QE 3.150 . 4.500 4.475 4.413 4.509 0.009 1 0 "[ . 1 . 2]" 3
12 1 71 GLN HA 1 74 TYR QE 3.150 . 4.500 3.987 2.808 4.517 0.017 4 0 "[ . 1 . 2]" 3
13 1 44 SER HB2 1 47 TYR QD 3.650 . 5.500 4.791 4.722 4.886 . 0 0 "[ . 1 . 2]" 3
14 1 44 SER HB2 1 47 TYR QE 3.650 . 5.500 5.043 4.828 5.261 . 0 0 "[ . 1 . 2]" 3
15 1 63 TYR HA 1 63 TYR QD 3.150 . 4.500 2.565 2.258 2.705 . 0 0 "[ . 1 . 2]" 3
16 1 51 SER HB2 1 52 HIS HD2 3.650 . 5.500 4.298 4.070 4.542 . 0 0 "[ . 1 . 2]" 3
17 1 21 PHE HA 1 21 PHE QD 3.150 . 4.500 2.816 2.597 2.989 . 0 0 "[ . 1 . 2]" 3
18 1 69 ILE HA 1 73 TYR QD 3.150 . 4.500 2.857 2.513 3.202 . 0 0 "[ . 1 . 2]" 3
19 1 69 ILE HA 1 73 TYR QE 3.650 . 5.500 3.918 3.446 4.328 . 0 0 "[ . 1 . 2]" 3
20 1 74 TYR HB2 1 74 TYR QD 3.150 . 4.500 2.428 2.338 2.490 . 0 0 "[ . 1 . 2]" 3
21 1 48 VAL HA 1 49 TYR QD 3.650 . 5.500 4.510 4.356 4.668 . 0 0 "[ . 1 . 2]" 3
22 1 31 ILE HA 1 47 TYR QD 3.650 . 5.500 4.715 4.497 4.909 . 0 0 "[ . 1 . 2]" 3
23 1 31 ILE HA 1 47 TYR QE 3.900 . 6.000 6.027 5.927 6.090 0.090 8 0 "[ . 1 . 2]" 3
24 1 56 ILE HA 1 63 TYR QD 3.150 . 4.500 2.485 2.028 2.760 . 0 0 "[ . 1 . 2]" 3
25 1 62 PHE HA 1 62 PHE QD 3.650 . 4.500 2.780 2.650 2.941 . 0 0 "[ . 1 . 2]" 3
26 1 27 ILE HA 1 52 HIS HD2 3.650 . 5.500 4.698 4.117 5.508 0.008 13 0 "[ . 1 . 2]" 3
27 1 9 PHE HB2 1 9 PHE QD 3.150 . 4.500 2.417 2.303 2.466 . 0 0 "[ . 1 . 2]" 3
28 1 47 TYR HB3 1 47 TYR QD 3.150 . 4.500 2.647 2.532 2.753 . 0 0 "[ . 1 . 2]" 3
29 1 73 TYR HB2 1 73 TYR QD 3.150 . 4.500 2.480 2.403 2.562 . 0 0 "[ . 1 . 2]" 3
30 1 72 ARG HD2 1 73 TYR QE 3.150 . 4.500 3.413 2.385 4.519 0.019 14 0 "[ . 1 . 2]" 3
31 1 47 TYR HB2 1 47 TYR QD 3.150 . 4.500 2.196 2.163 2.233 . 0 0 "[ . 1 . 2]" 3
32 1 9 PHE HB3 1 9 PHE QD 3.150 . 3.500 2.358 2.317 2.455 . 0 0 "[ . 1 . 2]" 3
33 1 72 ARG HD3 1 73 TYR QE 3.650 . 5.500 3.034 2.457 3.931 . 0 0 "[ . 1 . 2]" 3
34 1 74 TYR HB3 1 74 TYR QD 2.650 . 3.500 2.369 2.272 2.484 . 0 0 "[ . 1 . 2]" 3
35 1 73 TYR HB3 1 73 TYR QD 3.150 . 4.500 2.317 2.270 2.412 . 0 0 "[ . 1 . 2]" 3
36 1 59 ASN HB3 1 63 TYR QD 3.150 . 4.500 3.635 3.290 4.157 . 0 0 "[ . 1 . 2]" 3
37 1 59 ASN HB3 1 63 TYR QE 3.150 . 4.500 3.867 3.354 4.434 . 0 0 "[ . 1 . 2]" 3
38 1 34 ASP HB2 1 47 TYR QD 3.650 . 5.500 3.980 3.379 4.590 . 0 0 "[ . 1 . 2]" 3
39 1 26 GLN HG2 1 52 HIS HE1 3.650 . 5.500 3.652 3.160 4.213 . 0 0 "[ . 1 . 2]" 3
40 1 63 TYR HB2 1 63 TYR QD 3.150 . 4.500 2.339 2.298 2.372 . 0 0 "[ . 1 . 2]" 3
41 1 52 HIS HB3 1 52 HIS HD2 3.650 . 5.500 3.917 3.863 3.992 . 0 0 "[ . 1 . 2]" 3
42 1 49 TYR QE 1 63 TYR HB2 3.650 . 5.500 3.872 3.512 4.261 . 0 0 "[ . 1 . 2]" 3
43 1 26 GLN HG3 1 52 HIS HE1 3.650 . 5.500 4.710 4.256 5.276 . 0 0 "[ . 1 . 2]" 3
44 1 21 PHE QE 1 25 MET ME 3.650 . 5.500 3.338 2.182 4.650 . 0 0 "[ . 1 . 2]" 3
45 1 15 PHE QD 1 65 MET ME 3.650 . 4.500 3.464 2.168 4.503 0.003 7 0 "[ . 1 . 2]" 3
46 1 48 VAL HB 1 49 TYR QE 3.150 . 4.500 3.694 3.392 4.026 . 0 0 "[ . 1 . 2]" 3
47 1 15 PHE QE 1 65 MET ME 3.650 . 5.500 3.983 2.136 5.373 . 0 0 "[ . 1 . 2]" 3
48 1 48 VAL HB 1 49 TYR QD 3.650 . 5.500 2.458 2.238 2.828 . 0 0 "[ . 1 . 2]" 3
49 1 73 TYR QD 1 76 LYS QB 3.650 . 5.500 2.998 2.680 3.643 . 0 0 "[ . 1 . 2]" 3
50 1 74 TYR QD 1 79 ILE HB 3.150 . 4.500 2.704 2.118 3.520 . 0 0 "[ . 1 . 2]" 3
51 1 74 TYR QE 1 79 ILE HB 3.650 . 5.500 4.599 4.061 5.528 0.028 20 0 "[ . 1 . 2]" 3
52 1 5 GLU HB3 1 73 TYR QE 3.650 . 5.500 5.162 4.257 5.556 0.056 13 0 "[ . 1 . 2]" 3
53 1 46 ILE HB 1 47 TYR QD 3.650 . 5.500 4.207 4.014 4.383 . 0 0 "[ . 1 . 2]" 3
54 1 24 VAL HB 1 63 TYR QE 3.650 . 5.500 5.477 5.128 5.594 0.094 9 0 "[ . 1 . 2]" 3
55 1 63 TYR QD 1 66 ILE HB 3.650 . 5.500 5.475 5.370 5.516 0.016 10 0 "[ . 1 . 2]" 3
56 1 21 PHE QE 1 90 ILE QG 3.650 . 5.500 3.351 3.088 4.038 . 0 0 "[ . 1 . 2]" 3
57 1 21 PHE QD 1 90 ILE QG 3.650 . 5.500 2.408 2.065 2.895 . 0 0 "[ . 1 . 2]" 3
58 1 21 PHE HZ 1 25 MET HB3 3.650 . 5.500 5.514 5.277 5.576 0.076 13 0 "[ . 1 . 2]" 3
59 1 49 TYR QE 1 67 ALA MB 3.650 . 5.500 2.507 2.287 2.731 . 0 0 "[ . 1 . 2]" 3
60 1 73 TYR QD 1 77 ILE HG13 3.650 . 5.500 4.313 3.840 5.099 . 0 0 "[ . 1 . 2]" 3
61 1 74 TYR QE 1 75 LYS QD 3.650 . 5.500 3.362 2.315 4.498 . 0 0 "[ . 1 . 2]" 3
62 1 21 PHE HZ 1 91 LYS QD 3.650 . 5.500 3.723 2.723 5.234 . 0 0 "[ . 1 . 2]" 3
63 1 72 ARG HB3 1 73 TYR QE 3.650 . 5.500 3.871 3.544 4.201 . 0 0 "[ . 1 . 2]" 3
64 1 72 ARG HB3 1 73 TYR QD 3.650 . 5.500 2.492 2.180 2.858 . 0 0 "[ . 1 . 2]" 3
65 1 47 TYR QD 1 48 VAL MG2 3.650 . 5.500 3.412 3.302 3.589 . 0 0 "[ . 1 . 2]" 3
66 1 9 PHE QE 1 88 THR MG 3.650 . 5.500 5.231 4.476 5.514 0.014 7 0 "[ . 1 . 2]" 3
67 1 48 VAL MG1 1 52 HIS HD2 3.150 . 4.500 2.331 2.055 2.852 . 0 0 "[ . 1 . 2]" 3
68 1 48 VAL MG1 1 49 TYR QE 3.650 . 5.500 3.460 3.204 3.715 . 0 0 "[ . 1 . 2]" 3
69 1 21 PHE QD 1 91 LYS QG 3.650 . 5.500 3.680 2.672 5.325 . 0 0 "[ . 1 . 2]" 3
70 1 48 VAL MG2 1 52 HIS HD2 3.650 . 5.500 4.007 3.821 4.472 . 0 0 "[ . 1 . 2]" 3
71 1 73 TYR QE 1 82 VAL MG1 3.900 . 6.000 5.456 5.063 5.659 . 0 0 "[ . 1 . 2]" 3
72 1 62 PHE QD 1 90 ILE MG 3.650 . 5.500 3.858 3.563 4.216 . 0 0 "[ . 1 . 2]" 3
73 1 62 PHE HZ 1 90 ILE MG 3.150 . 4.500 2.394 1.962 3.100 . 0 0 "[ . 1 . 2]" 3
74 1 21 PHE QE 1 90 ILE MD 3.650 . 5.500 3.342 3.041 3.804 . 0 0 "[ . 1 . 2]" 3
75 1 27 ILE MG 1 52 HIS HD2 3.650 . 5.500 4.870 4.444 5.512 0.012 13 0 "[ . 1 . 2]" 3
76 1 72 ARG HG2 1 73 TYR QD 2.650 . 3.500 2.982 2.373 3.461 . 0 0 "[ . 1 . 2]" 3
77 1 24 VAL MG1 1 63 TYR QD 3.650 . 5.500 4.688 4.401 4.905 . 0 0 "[ . 1 . 2]" 3
78 1 46 ILE MG 1 47 TYR QD 3.650 . 5.500 3.846 3.503 4.473 . 0 0 "[ . 1 . 2]" 3
79 1 49 TYR QD 1 56 ILE HG13 2.650 . 3.500 3.522 3.467 3.553 0.053 19 0 "[ . 1 . 2]" 3
80 1 21 PHE HZ 1 87 LEU MD2 3.650 . 5.500 3.273 2.915 3.915 . 0 0 "[ . 1 . 2]" 3
81 1 46 ILE MG 1 47 TYR QE 3.650 . 5.500 4.575 4.314 5.141 . 0 0 "[ . 1 . 2]" 3
82 1 72 ARG HG2 1 73 TYR QE 2.650 . 3.500 3.179 2.222 3.570 0.070 7 0 "[ . 1 . 2]" 3
83 1 23 LEU MD1 1 52 HIS HE1 3.650 . 5.500 3.092 2.583 3.534 . 0 0 "[ . 1 . 2]" 3
84 1 41 ILE MG 1 74 TYR QE 3.150 . 4.500 2.560 2.231 2.895 . 0 0 "[ . 1 . 2]" 3
85 1 9 PHE QD 1 12 LEU MD1 3.650 . 5.500 2.840 2.342 3.406 . 0 0 "[ . 1 . 2]" 3
86 1 62 PHE QE 1 66 ILE MG 3.650 . 5.500 3.058 2.838 3.215 . 0 0 "[ . 1 . 2]" 3
87 1 21 PHE QD 1 87 LEU MD1 3.650 . 5.500 4.738 4.288 5.135 . 0 0 "[ . 1 . 2]" 3
88 1 49 TYR QD 1 56 ILE MG 3.650 . 5.500 2.495 2.242 3.068 . 0 0 "[ . 1 . 2]" 3
89 1 21 PHE HZ 1 87 LEU MD1 3.650 . 5.500 2.830 2.493 3.585 . 0 0 "[ . 1 . 2]" 3
90 1 3 ILE MD 1 73 TYR QE 3.650 . 5.500 3.586 2.885 4.325 . 0 0 "[ . 1 . 2]" 3
91 1 41 ILE MD 1 74 TYR QD 3.650 . 5.500 3.095 2.745 3.399 . 0 0 "[ . 1 . 2]" 3
92 1 69 ILE MD 1 73 TYR QD 3.650 . 5.500 4.765 4.570 5.099 . 0 0 "[ . 1 . 2]" 3
93 1 63 TYR QD 1 66 ILE MD 3.650 . 5.500 2.026 1.912 2.291 . 0 0 "[ . 1 . 2]" 3
94 1 19 VAL MG2 1 62 PHE QE 3.650 . 5.500 2.972 2.620 3.383 . 0 0 "[ . 1 . 2]" 3
95 1 27 ILE MD 1 52 HIS HD2 3.650 . 5.500 3.184 2.651 3.767 . 0 0 "[ . 1 . 2]" 3
96 1 41 ILE MD 1 74 TYR QE 3.650 . 5.500 4.133 3.715 4.559 . 0 0 "[ . 1 . 2]" 3
97 1 62 PHE HZ 1 66 ILE MD 3.650 . 5.500 3.344 2.922 3.777 . 0 0 "[ . 1 . 2]" 3
98 1 45 ILE MG 1 49 TYR QD 3.650 . 5.500 3.016 2.947 3.073 . 0 0 "[ . 1 . 2]" 3
99 1 45 ILE MG 1 49 TYR QE 3.650 . 5.500 2.907 2.835 3.022 . 0 0 "[ . 1 . 2]" 3
100 1 56 ILE MD 1 63 TYR QD 3.650 . 5.500 2.805 2.728 2.956 . 0 0 "[ . 1 . 2]" 3
101 1 49 TYR QD 1 56 ILE MD 3.650 . 5.500 2.929 2.774 3.039 . 0 0 "[ . 1 . 2]" 3
102 1 71 GLN HA 1 74 TYR QD 3.150 . 4.500 2.328 1.972 2.760 . 0 0 "[ . 1 . 2]" 3
103 1 21 PHE QD 1 24 VAL HB 3.650 . 5.500 4.462 4.006 4.895 . 0 0 "[ . 1 . 2]" 3
104 1 24 VAL MG1 1 62 PHE HZ 3.650 . 5.500 2.501 1.929 2.828 . 0 0 "[ . 1 . 2]" 3
105 1 12 LEU MD1 1 62 PHE HZ 3.650 . 5.500 4.682 4.379 5.434 . 0 0 "[ . 1 . 2]" 3
106 1 56 ILE HG12 1 63 TYR QD 3.650 . 5.500 5.117 4.850 5.218 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 17.834
_Distance_constraint_stats_list.Viol_max 0.084
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0198
_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 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.002 0.002 9 0 "[ . 1 . 2]"
1 19 VAL 0.002 0.002 9 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.025 0.011 3 0 "[ . 1 . 2]"
1 24 VAL 0.190 0.036 20 0 "[ . 1 . 2]"
1 25 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.025 0.011 3 0 "[ . 1 . 2]"
1 28 LEU 0.025 0.011 3 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.154 0.032 19 0 "[ . 1 . 2]"
1 34 ASP 0.154 0.032 19 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.459 0.084 19 0 "[ . 1 . 2]"
1 59 ASN 0.459 0.084 19 0 "[ . 1 . 2]"
1 60 LYS 0.459 0.084 19 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.165 0.036 20 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.025 0.011 3 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.087 0.020 5 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLN 0.087 0.020 5 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ILE 0.002 0.002 9 0 "[ . 1 . 2]"
1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 70 LEU H 1 72 ARG H 3.150 . 4.500 3.687 3.599 3.765 . 0 0 "[ . 1 . 2]" 4
2 1 12 LEU H 1 13 ARG H 2.650 . 3.500 2.359 2.271 2.484 . 0 0 "[ . 1 . 2]" 4
3 1 65 MET H 1 66 ILE H 2.650 . 3.500 2.444 2.378 2.506 . 0 0 "[ . 1 . 2]" 4
4 1 68 GLU H 1 71 GLN HE22 3.650 . 5.500 4.767 4.336 5.142 . 0 0 "[ . 1 . 2]" 4
5 1 58 LYS H 1 59 ASN HD21 3.650 . 5.500 4.503 3.989 5.144 . 0 0 "[ . 1 . 2]" 4
6 1 58 LYS H 1 59 ASN HD22 3.650 . 5.500 5.433 4.924 5.584 0.084 19 0 "[ . 1 . 2]" 4
7 1 14 GLN H 1 14 GLN HE21 3.150 . 4.500 3.544 3.227 4.444 . 0 0 "[ . 1 . 2]" 4
8 1 71 GLN H 1 71 GLN HE21 3.650 . 5.500 3.796 3.251 4.127 . 0 0 "[ . 1 . 2]" 4
9 1 24 VAL H 1 62 PHE QE 3.650 . 5.500 5.398 4.859 5.536 0.036 20 0 "[ . 1 . 2]" 4
10 1 29 ASP H 1 29 ASP HA 2.300 . 2.800 2.500 2.484 2.523 . 0 0 "[ . 1 . 2]" 4
11 1 54 ASP HA 1 57 ARG H 3.150 . 4.500 3.525 3.188 3.785 . 0 0 "[ . 1 . 2]" 4
12 1 16 LYS H 1 16 LYS HA 2.300 . 2.800 2.164 2.093 2.546 . 0 0 "[ . 1 . 2]" 4
13 1 60 LYS HA 1 64 ASP H 3.150 . 4.500 3.298 3.126 3.417 . 0 0 "[ . 1 . 2]" 4
14 1 26 GLN HA 1 29 ASP H 2.650 . 3.500 2.995 2.932 3.041 . 0 0 "[ . 1 . 2]" 4
15 1 80 GLU HA 1 84 GLN H 2.300 . 2.800 2.800 2.785 2.820 0.020 5 0 "[ . 1 . 2]" 4
16 1 28 LEU HA 1 31 ILE H 3.150 . 4.500 3.255 3.079 3.313 . 0 0 "[ . 1 . 2]" 4
17 1 33 LEU H 1 33 LEU HA 2.300 . 2.800 2.473 2.448 2.488 . 0 0 "[ . 1 . 2]" 4
18 1 70 LEU HA 1 71 GLN H 2.300 . 2.800 2.738 2.715 2.769 . 0 0 "[ . 1 . 2]" 4
19 1 42 LYS HA 1 43 THR H 2.300 . 2.800 2.697 2.655 2.727 . 0 0 "[ . 1 . 2]" 4
20 1 43 THR HA 1 44 SER H 2.650 . 3.500 3.159 3.138 3.185 . 0 0 "[ . 1 . 2]" 4
21 1 25 MET HA 1 29 ASP H 3.150 . 4.500 3.325 3.259 3.374 . 0 0 "[ . 1 . 2]" 4
22 1 48 VAL HA 1 52 HIS H 3.150 . 4.500 2.851 2.412 3.471 . 0 0 "[ . 1 . 2]" 4
23 1 10 VAL HA 1 11 LYS H 3.150 . 4.500 3.321 3.256 3.369 . 0 0 "[ . 1 . 2]" 4
24 1 28 LEU H 1 29 ASP HB2 3.650 . 5.500 4.693 4.544 4.823 . 0 0 "[ . 1 . 2]" 4
25 1 59 ASN HB2 1 61 GLU H 3.650 . 5.500 4.820 4.651 4.966 . 0 0 "[ . 1 . 2]" 4
26 1 39 ASP HB3 1 40 ASN H 3.150 . 4.500 2.575 1.813 3.529 . 0 0 "[ . 1 . 2]" 4
27 1 83 ASN HB3 1 86 ILE H 3.650 . 5.500 5.108 4.717 5.291 . 0 0 "[ . 1 . 2]" 4
28 1 83 ASN HB3 1 84 GLN H 2.650 . 3.500 2.940 2.240 3.290 . 0 0 "[ . 1 . 2]" 4
29 1 62 PHE HB2 1 63 TYR H 2.300 . 2.800 2.371 2.327 2.439 . 0 0 "[ . 1 . 2]" 4
30 1 61 GLU QG 1 62 PHE H 2.300 . 2.800 2.540 2.320 2.675 . 0 0 "[ . 1 . 2]" 4
31 1 32 GLU H 1 32 GLU HB2 2.650 . 3.500 2.468 2.381 2.609 . 0 0 "[ . 1 . 2]" 4
32 1 32 GLU HB2 1 33 LEU H 2.650 . 3.500 3.168 3.053 3.220 . 0 0 "[ . 1 . 2]" 4
33 1 5 GLU HB2 1 6 ASP H 3.150 . 4.500 3.084 2.515 3.560 . 0 0 "[ . 1 . 2]" 4
34 1 68 GLU H 1 68 GLU QB 2.550 . 3.300 2.281 2.095 2.776 . 0 0 "[ . 1 . 2]" 4
35 1 32 GLU HG3 1 36 ARG H 3.650 . 5.500 4.834 4.435 5.354 . 0 0 "[ . 1 . 2]" 4
36 1 55 GLU HB2 1 56 ILE H 2.900 . 4.000 3.569 2.147 3.906 . 0 0 "[ . 1 . 2]" 4
37 1 31 ILE H 1 31 ILE HB 2.900 . 4.000 3.617 3.589 3.647 . 0 0 "[ . 1 . 2]" 4
38 1 70 LEU HB2 1 74 TYR H 3.650 . 5.500 4.934 4.837 5.103 . 0 0 "[ . 1 . 2]" 4
39 1 35 LEU HB2 1 38 SER H 3.650 . 5.500 4.156 2.580 5.406 . 0 0 "[ . 1 . 2]" 4
40 1 65 MET HB3 1 66 ILE H 2.650 . 3.500 3.259 3.163 3.342 . 0 0 "[ . 1 . 2]" 4
41 1 12 LEU HB2 1 13 ARG H 2.650 . 3.500 2.273 1.903 2.661 . 0 0 "[ . 1 . 2]" 4
42 1 87 LEU HG 1 88 THR H 3.650 . 5.500 4.052 3.835 4.230 . 0 0 "[ . 1 . 2]" 4
43 1 33 LEU HB2 1 34 ASP H 2.300 . 2.800 2.760 2.527 2.832 0.032 19 0 "[ . 1 . 2]" 4
44 1 72 ARG HB2 1 73 TYR H 3.150 . 4.500 3.682 3.551 3.841 . 0 0 "[ . 1 . 2]" 4
45 1 74 TYR H 1 75 LYS HB2 3.650 . 5.500 4.480 4.378 4.573 . 0 0 "[ . 1 . 2]" 4
46 1 20 ASN HD21 1 23 LEU HB3 3.650 . 5.500 4.555 3.606 5.403 . 0 0 "[ . 1 . 2]" 4
47 1 23 LEU H 1 23 LEU HB3 2.550 . 3.300 2.484 2.364 2.548 . 0 0 "[ . 1 . 2]" 4
48 1 4 LEU HB3 1 6 ASP H 3.650 . 5.500 4.773 4.449 5.108 . 0 0 "[ . 1 . 2]" 4
49 1 4 LEU H 1 4 LEU HB3 2.650 . 3.500 2.464 2.204 2.643 . 0 0 "[ . 1 . 2]" 4
50 1 4 LEU HB3 1 5 GLU H 3.150 . 4.500 3.947 3.799 4.060 . 0 0 "[ . 1 . 2]" 4
51 1 70 LEU HB3 1 74 TYR H 3.150 . 4.500 4.056 3.825 4.219 . 0 0 "[ . 1 . 2]" 4
52 1 70 LEU H 1 70 LEU HB3 2.650 . 3.500 3.304 3.213 3.368 . 0 0 "[ . 1 . 2]" 4
53 1 31 ILE MD 1 48 VAL H 3.400 . 5.000 4.865 4.738 4.963 . 0 0 "[ . 1 . 2]" 4
54 1 53 LEU H 1 53 LEU QD 3.150 . 4.500 3.143 3.059 3.187 . 0 0 "[ . 1 . 2]" 4
55 1 28 LEU MD1 1 29 ASP H 2.650 . 3.500 3.183 2.208 3.388 . 0 0 "[ . 1 . 2]" 4
56 1 23 LEU MD2 1 27 ILE H 2.650 . 3.500 3.484 3.459 3.511 0.011 3 0 "[ . 1 . 2]" 4
57 1 52 HIS H 1 53 LEU QD 3.150 . 4.500 3.792 3.496 3.997 . 0 0 "[ . 1 . 2]" 4
58 1 23 LEU MD2 1 56 ILE H 2.900 . 4.000 3.486 3.436 3.561 . 0 0 "[ . 1 . 2]" 4
59 1 53 LEU QD 1 54 ASP H 3.150 . 4.500 4.017 3.917 4.093 . 0 0 "[ . 1 . 2]" 4
60 1 53 LEU QD 1 57 ARG H 3.150 . 4.500 4.196 4.021 4.326 . 0 0 "[ . 1 . 2]" 4
61 1 46 ILE MG 1 50 SER H 3.150 . 4.500 3.557 3.418 3.752 . 0 0 "[ . 1 . 2]" 4
62 1 69 ILE MG 1 73 TYR H 3.150 . 4.500 3.272 3.123 3.472 . 0 0 "[ . 1 . 2]" 4
63 1 23 LEU H 1 23 LEU QD 2.900 . 4.000 3.690 3.628 3.741 . 0 0 "[ . 1 . 2]" 4
64 1 86 ILE MG 1 87 LEU H 2.550 . 3.300 2.976 2.888 3.024 . 0 0 "[ . 1 . 2]" 4
65 1 41 ILE MG 1 43 THR H 3.150 . 4.500 3.920 3.845 4.010 . 0 0 "[ . 1 . 2]" 4
66 1 86 ILE H 1 86 ILE HG12 2.300 . 2.800 2.222 2.167 2.283 . 0 0 "[ . 1 . 2]" 4
67 1 27 ILE MD 1 55 GLU H 3.900 . 6.000 5.015 4.718 5.549 . 0 0 "[ . 1 . 2]" 4
68 1 26 GLN H 1 27 ILE MD 3.400 . 5.000 4.828 4.700 4.926 . 0 0 "[ . 1 . 2]" 4
69 1 3 ILE H 1 3 ILE MD 3.650 . 5.500 3.931 3.398 4.209 . 0 0 "[ . 1 . 2]" 4
70 1 19 VAL MG1 1 59 ASN H 3.650 . 5.500 4.130 3.411 4.397 . 0 0 "[ . 1 . 2]" 4
71 1 18 LYS H 1 19 VAL HA 3.400 . 5.000 4.697 4.172 5.002 0.002 9 0 "[ . 1 . 2]" 4
72 1 35 LEU HA 1 40 ASN H 3.650 . 5.500 4.187 3.355 5.474 . 0 0 "[ . 1 . 2]" 4
73 1 35 LEU HA 1 36 ARG H 2.650 . 3.500 3.058 2.850 3.268 . 0 0 "[ . 1 . 2]" 4
74 1 70 LEU HA 1 74 TYR H 3.150 . 4.500 3.363 3.202 3.470 . 0 0 "[ . 1 . 2]" 4
75 1 32 GLU HA 1 34 ASP H 3.150 . 4.500 3.923 3.739 4.148 . 0 0 "[ . 1 . 2]" 4
76 1 26 GLN HA 1 27 ILE H 2.650 . 3.500 3.154 3.138 3.175 . 0 0 "[ . 1 . 2]" 4
77 1 18 LYS H 1 18 LYS HB3 2.900 . 4.000 3.166 1.954 3.816 . 0 0 "[ . 1 . 2]" 4
78 1 28 LEU HB3 1 83 ASN QD 3.650 . 5.500 2.195 1.876 2.836 . 0 0 "[ . 1 . 2]" 4
79 1 86 ILE HG12 1 89 THR H 3.150 . 4.500 4.339 4.237 4.452 . 0 0 "[ . 1 . 2]" 4
80 1 72 ARG H 1 72 ARG HA 2.300 . 2.800 2.474 2.456 2.492 . 0 0 "[ . 1 . 2]" 4
81 1 72 ARG H 1 72 ARG HB2 2.300 . 2.800 2.016 1.941 2.109 . 0 0 "[ . 1 . 2]" 4
82 1 33 LEU HA 1 35 LEU H 3.650 . 5.500 4.047 3.857 4.215 . 0 0 "[ . 1 . 2]" 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 969
_Distance_constraint_stats_list.Viol_count 632
_Distance_constraint_stats_list.Viol_total 329.514
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0065
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0261
_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 3 ILE 0.314 0.052 11 0 "[ . 1 . 2]"
1 4 LEU 0.344 0.052 11 0 "[ . 1 . 2]"
1 5 GLU 0.380 0.110 20 0 "[ . 1 . 2]"
1 6 ASP 0.170 0.047 12 0 "[ . 1 . 2]"
1 7 PRO 0.417 0.080 11 0 "[ . 1 . 2]"
1 8 GLU 0.015 0.008 4 0 "[ . 1 . 2]"
1 9 PHE 0.577 0.057 20 0 "[ . 1 . 2]"
1 10 VAL 0.992 0.157 11 0 "[ . 1 . 2]"
1 11 LYS 0.215 0.080 11 0 "[ . 1 . 2]"
1 12 LEU 0.780 0.057 20 0 "[ . 1 . 2]"
1 13 ARG 0.317 0.146 9 0 "[ . 1 . 2]"
1 14 GLN 0.039 0.031 10 0 "[ . 1 . 2]"
1 15 PHE 0.190 0.056 14 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.123 0.095 9 0 "[ . 1 . 2]"
1 18 LYS 1.241 0.114 16 0 "[ . 1 . 2]"
1 19 VAL 0.459 0.125 9 0 "[ . 1 . 2]"
1 20 ASN 0.039 0.015 5 0 "[ . 1 . 2]"
1 21 PHE 0.189 0.043 20 0 "[ . 1 . 2]"
1 22 ASN 0.272 0.125 4 0 "[ . 1 . 2]"
1 23 LEU 0.296 0.099 9 0 "[ . 1 . 2]"
1 24 VAL 0.295 0.043 1 0 "[ . 1 . 2]"
1 25 MET 0.451 0.078 11 0 "[ . 1 . 2]"
1 26 GLN 0.633 0.078 11 0 "[ . 1 . 2]"
1 27 ILE 0.004 0.004 7 0 "[ . 1 . 2]"
1 28 LEU 0.335 0.036 4 0 "[ . 1 . 2]"
1 29 ASP 1.264 0.075 6 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.203 0.033 11 0 "[ . 1 . 2]"
1 32 GLU 0.990 0.075 6 0 "[ . 1 . 2]"
1 33 LEU 0.219 0.033 1 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.022 0.022 5 0 "[ . 1 . 2]"
1 36 ARG 0.089 0.056 12 0 "[ . 1 . 2]"
1 37 GLY 0.089 0.056 12 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.030 0.022 5 0 "[ . 1 . 2]"
1 41 ILE 0.337 0.038 17 0 "[ . 1 . 2]"
1 42 LYS 0.690 0.140 4 0 "[ . 1 . 2]"
1 43 THR 0.510 0.140 4 0 "[ . 1 . 2]"
1 44 SER 0.162 0.029 1 0 "[ . 1 . 2]"
1 45 ILE 0.301 0.038 17 0 "[ . 1 . 2]"
1 46 ILE 0.046 0.015 19 0 "[ . 1 . 2]"
1 47 TYR 0.162 0.029 1 0 "[ . 1 . 2]"
1 48 VAL 0.020 0.009 15 0 "[ . 1 . 2]"
1 49 TYR 0.161 0.033 11 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.030 0.016 11 0 "[ . 1 . 2]"
1 54 ASP 0.196 0.078 8 0 "[ . 1 . 2]"
1 55 GLU 0.231 0.125 9 0 "[ . 1 . 2]"
1 56 ILE 0.569 0.099 9 0 "[ . 1 . 2]"
1 57 ARG 0.231 0.078 8 0 "[ . 1 . 2]"
1 58 LYS 0.112 0.052 12 0 "[ . 1 . 2]"
1 59 ASN 0.109 0.079 1 0 "[ . 1 . 2]"
1 60 LYS 0.545 0.094 16 0 "[ . 1 . 2]"
1 61 GLU 0.360 0.085 14 0 "[ . 1 . 2]"
1 62 PHE 0.511 0.116 9 0 "[ . 1 . 2]"
1 63 TYR 0.027 0.019 12 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 MET 0.891 0.070 13 0 "[ . 1 . 2]"
1 66 ILE 0.645 0.062 14 0 "[ . 1 . 2]"
1 67 ALA 0.213 0.056 1 0 "[ . 1 . 2]"
1 68 GLU 0.028 0.020 11 0 "[ . 1 . 2]"
1 69 ILE 0.647 0.070 13 0 "[ . 1 . 2]"
1 70 LEU 0.687 0.062 14 0 "[ . 1 . 2]"
1 71 GLN 0.233 0.056 1 0 "[ . 1 . 2]"
1 72 ARG 0.085 0.044 16 0 "[ . 1 . 2]"
1 73 TYR 0.281 0.066 8 0 "[ . 1 . 2]"
1 74 TYR 0.286 0.067 17 0 "[ . 1 . 2]"
1 75 LYS 0.488 0.094 7 0 "[ . 1 . 2]"
1 76 LYS 0.006 0.006 17 0 "[ . 1 . 2]"
1 77 ILE 0.385 0.074 11 0 "[ . 1 . 2]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.335 0.030 2 0 "[ . 1 . 2]"
1 80 GLU 0.004 0.004 5 0 "[ . 1 . 2]"
1 81 ASN 0.190 0.074 11 0 "[ . 1 . 2]"
1 82 VAL 0.218 0.026 9 0 "[ . 1 . 2]"
1 83 ASN 0.287 0.032 9 0 "[ . 1 . 2]"
1 84 GLN 1.092 0.078 19 0 "[ . 1 . 2]"
1 85 LEU 0.620 0.078 19 0 "[ . 1 . 2]"
1 86 ILE 0.068 0.023 1 0 "[ . 1 . 2]"
1 87 LEU 1.363 0.072 19 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 THR 0.911 0.157 11 0 "[ . 1 . 2]"
1 90 ILE 1.344 0.135 9 0 "[ . 1 . 2]"
1 91 LYS 1.234 0.159 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 GLU H 1 10 VAL MG1 3.650 . 5.500 4.300 4.137 4.503 . 0 0 "[ . 1 . 2]" 5
2 1 85 LEU MD1 1 86 ILE H 3.650 . 5.500 4.681 4.525 4.876 . 0 0 "[ . 1 . 2]" 5
3 1 79 ILE MG 1 83 ASN H 3.650 . 5.500 5.008 4.924 5.146 . 0 0 "[ . 1 . 2]" 5
4 1 9 PHE QE 1 10 VAL MG2 3.650 . 5.500 5.462 5.283 5.535 0.035 8 0 "[ . 1 . 2]" 5
5 1 9 PHE QD 1 10 VAL MG2 3.650 . 5.500 4.503 4.334 4.696 . 0 0 "[ . 1 . 2]" 5
6 1 9 PHE QD 1 86 ILE MG 3.650 . 5.500 5.354 5.142 5.513 0.013 12 0 "[ . 1 . 2]" 5
7 1 74 TYR QE 1 79 ILE MG 3.650 . 5.500 4.272 3.459 5.516 0.016 20 0 "[ . 1 . 2]" 5
8 1 45 ILE MD 1 49 TYR QE 3.650 . 5.500 2.933 2.580 3.231 . 0 0 "[ . 1 . 2]" 5
9 1 24 VAL MG2 1 62 PHE QD 3.650 . 5.500 3.857 3.538 4.108 . 0 0 "[ . 1 . 2]" 5
10 1 62 PHE QD 1 66 ILE MG 3.650 . 5.500 3.463 3.301 3.690 . 0 0 "[ . 1 . 2]" 5
11 1 62 PHE QD 1 90 ILE MD 3.650 . 5.500 5.408 4.995 5.616 0.116 9 0 "[ . 1 . 2]" 5
12 1 24 VAL MG1 1 62 PHE QD 3.650 . 5.500 4.430 4.151 4.886 . 0 0 "[ . 1 . 2]" 5
13 1 19 VAL MG2 1 62 PHE QD 3.650 . 5.500 3.586 3.055 4.053 . 0 0 "[ . 1 . 2]" 5
14 1 45 ILE MG 1 56 ILE MD 3.650 . 5.500 4.742 4.632 5.013 . 0 0 "[ . 1 . 2]" 5
15 1 63 TYR QD 1 67 ALA MB 3.650 . 5.500 4.775 4.274 5.416 . 0 0 "[ . 1 . 2]" 5
16 1 4 LEU MD2 1 10 VAL H 3.650 . 5.500 4.974 4.358 5.529 0.029 9 0 "[ . 1 . 2]" 5
17 1 62 PHE QD 1 65 MET ME 3.650 . 5.500 4.024 3.409 5.230 . 0 0 "[ . 1 . 2]" 5
18 1 27 ILE HG13 1 48 VAL MG1 3.650 . 5.500 4.139 3.999 4.358 . 0 0 "[ . 1 . 2]" 5
19 1 41 ILE MD 1 71 GLN HG3 3.650 . 5.500 3.368 2.861 3.666 . 0 0 "[ . 1 . 2]" 5
20 1 41 ILE MD 1 79 ILE MG 3.650 . 5.500 4.116 3.674 4.582 . 0 0 "[ . 1 . 2]" 5
21 1 48 VAL MG1 1 56 ILE MD 3.650 . 5.500 3.549 3.369 3.694 . 0 0 "[ . 1 . 2]" 5
22 1 19 VAL MG1 1 90 ILE MG 3.650 . 5.500 4.299 3.373 5.503 0.003 13 0 "[ . 1 . 2]" 5
23 1 45 ILE MG 1 56 ILE MG 3.650 . 5.500 4.849 4.718 5.124 . 0 0 "[ . 1 . 2]" 5
24 1 45 ILE MG 1 70 LEU MD1 3.650 . 5.500 4.207 3.935 4.414 . 0 0 "[ . 1 . 2]" 5
25 1 41 ILE MD 1 45 ILE MG 3.650 . 5.500 5.474 5.268 5.538 0.038 17 0 "[ . 1 . 2]" 5
26 1 56 ILE MD 1 67 ALA MB 3.650 . 5.500 5.206 4.874 5.505 0.005 15 0 "[ . 1 . 2]" 5
27 1 52 HIS HA 1 56 ILE MD 3.650 . 5.500 5.298 4.958 5.453 . 0 0 "[ . 1 . 2]" 5
28 1 56 ILE MD 1 63 TYR HA 3.650 . 5.500 4.490 4.290 4.644 . 0 0 "[ . 1 . 2]" 5
29 1 7 PRO HD3 1 8 GLU H 3.650 . 5.500 3.880 3.701 4.248 . 0 0 "[ . 1 . 2]" 5
30 1 9 PHE QD 1 13 ARG QD 3.650 . 5.500 4.554 3.024 5.513 0.013 7 0 "[ . 1 . 2]" 5
31 1 41 ILE HB 1 74 TYR QE 3.650 . 5.500 3.804 3.264 4.542 . 0 0 "[ . 1 . 2]" 5
32 1 49 TYR HB2 1 56 ILE MD 3.650 . 5.500 4.396 4.224 4.538 . 0 0 "[ . 1 . 2]" 5
33 1 49 TYR HB3 1 56 ILE MD 3.650 . 5.500 3.524 3.267 3.722 . 0 0 "[ . 1 . 2]" 5
34 1 74 TYR QD 1 75 LYS HB2 3.650 . 5.500 4.532 3.184 4.815 . 0 0 "[ . 1 . 2]" 5
35 1 74 TYR QE 1 75 LYS HB3 3.650 . 5.500 5.342 4.691 5.567 0.067 17 0 "[ . 1 . 2]" 5
36 1 73 TYR QD 1 85 LEU MD1 3.650 . 5.500 4.534 4.200 4.875 . 0 0 "[ . 1 . 2]" 5
37 1 85 LEU MD2 1 86 ILE H 3.650 . 5.500 4.696 4.569 4.761 . 0 0 "[ . 1 . 2]" 5
38 1 85 LEU MD2 1 88 THR H 3.650 . 5.500 4.683 4.410 4.890 . 0 0 "[ . 1 . 2]" 5
39 1 84 GLN QG 1 85 LEU MD2 3.650 . 5.500 4.477 2.684 4.694 . 0 0 "[ . 1 . 2]" 5
40 1 19 VAL MG1 1 59 ASN HA 3.650 . 5.500 4.531 4.084 4.874 . 0 0 "[ . 1 . 2]" 5
41 1 31 ILE MG 1 49 TYR QD 3.650 . 5.500 3.879 3.412 4.295 . 0 0 "[ . 1 . 2]" 5
42 1 31 ILE MG 1 49 TYR QE 3.650 . 5.500 3.293 2.654 3.903 . 0 0 "[ . 1 . 2]" 5
43 1 31 ILE MG 1 45 ILE MG 3.650 . 5.500 3.807 3.609 3.977 . 0 0 "[ . 1 . 2]" 5
44 1 62 PHE QD 1 86 ILE MG 3.650 . 5.500 4.829 4.518 5.249 . 0 0 "[ . 1 . 2]" 5
45 1 21 PHE HZ 1 91 LYS QE 3.650 . 5.500 4.838 3.263 5.543 0.043 20 0 "[ . 1 . 2]" 5
46 1 41 ILE HG13 1 45 ILE H 3.650 . 5.500 4.374 4.154 4.522 . 0 0 "[ . 1 . 2]" 5
47 1 65 MET ME 1 66 ILE H 3.650 . 5.500 4.422 4.123 4.903 . 0 0 "[ . 1 . 2]" 5
48 1 80 GLU H 1 80 GLU HB3 3.150 . 4.500 3.529 2.318 3.631 . 0 0 "[ . 1 . 2]" 5
49 1 53 LEU HB2 1 54 ASP H 3.150 . 4.500 2.637 2.413 2.795 . 0 0 "[ . 1 . 2]" 5
50 1 8 GLU H 1 8 GLU HG3 3.150 . 4.500 3.633 2.034 3.883 . 0 0 "[ . 1 . 2]" 5
51 1 7 PRO HB2 1 8 GLU H 3.150 . 4.500 3.020 2.855 3.163 . 0 0 "[ . 1 . 2]" 5
52 1 7 PRO HG2 1 8 GLU H 3.650 . 5.500 4.086 3.888 4.506 . 0 0 "[ . 1 . 2]" 5
53 1 61 GLU HA 1 64 ASP H 3.650 . 5.500 3.708 3.268 4.112 . 0 0 "[ . 1 . 2]" 5
54 1 67 ALA HA 1 70 LEU H 3.650 . 5.500 3.672 3.453 3.878 . 0 0 "[ . 1 . 2]" 5
55 1 70 LEU H 1 70 LEU HB3 3.150 . 4.500 3.590 3.570 3.603 . 0 0 "[ . 1 . 2]" 5
56 1 69 ILE HB 1 70 LEU H 3.150 . 4.500 2.623 2.440 2.790 . 0 0 "[ . 1 . 2]" 5
57 1 66 ILE MG 1 70 LEU H 3.650 . 5.500 5.039 4.958 5.145 . 0 0 "[ . 1 . 2]" 5
58 1 45 ILE MD 1 70 LEU H 3.650 . 5.500 5.037 4.869 5.275 . 0 0 "[ . 1 . 2]" 5
59 1 41 ILE MD 1 74 TYR H 3.650 . 5.500 4.186 3.900 4.329 . 0 0 "[ . 1 . 2]" 5
60 1 69 ILE MG 1 70 LEU H 3.650 . 5.500 3.389 3.285 3.461 . 0 0 "[ . 1 . 2]" 5
61 1 66 ILE MD 1 70 LEU H 3.650 . 5.500 5.532 5.504 5.562 0.062 14 0 "[ . 1 . 2]" 5
62 1 60 LYS HB3 1 61 GLU H 3.150 . 4.500 4.114 3.790 4.322 . 0 0 "[ . 1 . 2]" 5
63 1 86 ILE H 1 86 ILE MG 3.650 . 5.500 3.805 3.799 3.813 . 0 0 "[ . 1 . 2]" 5
64 1 34 ASP HA 1 35 LEU H 3.150 . 4.500 3.513 3.479 3.546 . 0 0 "[ . 1 . 2]" 5
65 1 27 ILE HB 1 28 LEU H 3.150 . 4.500 2.315 2.221 2.422 . 0 0 "[ . 1 . 2]" 5
66 1 31 ILE H 1 31 ILE HB 3.150 . 4.500 3.715 3.689 3.738 . 0 0 "[ . 1 . 2]" 5
67 1 25 MET QG 1 29 ASP H 3.650 . 5.500 4.509 4.165 4.970 . 0 0 "[ . 1 . 2]" 5
68 1 45 ILE MD 1 48 VAL H 3.650 . 5.500 5.434 5.321 5.509 0.009 15 0 "[ . 1 . 2]" 5
69 1 28 LEU HA 1 29 ASP H 3.150 . 4.500 3.489 3.388 3.530 . 0 0 "[ . 1 . 2]" 5
70 1 84 GLN QG 1 88 THR H 3.650 . 5.500 5.322 4.485 5.485 . 0 0 "[ . 1 . 2]" 5
71 1 83 ASN H 1 84 GLN QB 3.650 . 5.500 4.459 4.386 4.567 . 0 0 "[ . 1 . 2]" 5
72 1 82 VAL MG2 1 83 ASN H 3.650 . 5.500 3.649 3.535 3.784 . 0 0 "[ . 1 . 2]" 5
73 1 77 ILE MD 1 83 ASN H 3.650 . 5.500 5.484 5.298 5.532 0.032 9 0 "[ . 1 . 2]" 5
74 1 43 THR MG 1 47 TYR H 3.650 . 5.500 4.424 4.069 4.653 . 0 0 "[ . 1 . 2]" 5
75 1 44 SER HB3 1 47 TYR H 3.650 . 5.500 5.486 5.344 5.529 0.029 1 0 "[ . 1 . 2]" 5
76 1 37 GLY HA2 1 38 SER H 3.150 . 4.500 3.235 2.597 3.539 . 0 0 "[ . 1 . 2]" 5
77 1 37 GLY HA3 1 38 SER H 3.150 . 4.500 3.121 2.215 3.561 . 0 0 "[ . 1 . 2]" 5
78 1 7 PRO HA 1 10 VAL H 3.150 . 4.500 3.512 3.248 3.667 . 0 0 "[ . 1 . 2]" 5
79 1 66 ILE HA 1 69 ILE H 3.150 . 4.500 3.204 2.974 3.310 . 0 0 "[ . 1 . 2]" 5
80 1 9 PHE HB2 1 10 VAL H 3.650 . 5.500 3.873 3.786 3.964 . 0 0 "[ . 1 . 2]" 5
81 1 87 LEU H 1 87 LEU HB2 3.150 . 4.500 2.478 2.412 2.542 . 0 0 "[ . 1 . 2]" 5
82 1 18 LYS H 1 18 LYS HB3 3.150 . 4.500 3.806 3.472 4.119 . 0 0 "[ . 1 . 2]" 5
83 1 26 GLN HG2 1 27 ILE H 3.150 . 4.500 3.683 3.554 3.848 . 0 0 "[ . 1 . 2]" 5
84 1 57 ARG H 1 60 LYS HB3 3.650 . 5.500 5.070 4.703 5.433 . 0 0 "[ . 1 . 2]" 5
85 1 65 MET HB3 1 69 ILE H 3.650 . 5.500 5.005 4.834 5.302 . 0 0 "[ . 1 . 2]" 5
86 1 69 ILE H 1 69 ILE HG13 3.150 . 4.500 2.082 1.890 2.218 . 0 0 "[ . 1 . 2]" 5
87 1 18 LYS H 1 18 LYS HD2 3.650 . 5.500 4.604 3.700 5.229 . 0 0 "[ . 1 . 2]" 5
88 1 84 GLN QB 1 87 LEU H 3.400 . 5.000 5.021 4.997 5.052 0.052 17 0 "[ . 1 . 2]" 5
89 1 10 VAL H 1 89 THR MG 3.900 . 6.000 5.961 5.513 6.157 0.157 11 0 "[ . 1 . 2]" 5
90 1 27 ILE H 1 28 LEU MD1 3.650 . 5.500 5.168 4.849 5.287 . 0 0 "[ . 1 . 2]" 5
91 1 10 VAL H 1 10 VAL MG2 3.150 . 4.500 3.835 3.803 3.874 . 0 0 "[ . 1 . 2]" 5
92 1 18 LYS H 1 90 ILE MG 3.650 . 5.500 4.604 3.857 5.519 0.019 17 0 "[ . 1 . 2]" 5
93 1 69 ILE H 1 69 ILE MG 3.150 . 4.500 3.771 3.743 3.811 . 0 0 "[ . 1 . 2]" 5
94 1 66 ILE MG 1 69 ILE H 3.650 . 5.500 5.038 4.827 5.130 . 0 0 "[ . 1 . 2]" 5
95 1 86 ILE MG 1 87 LEU H 3.650 . 5.500 3.429 3.333 3.508 . 0 0 "[ . 1 . 2]" 5
96 1 31 ILE MG 1 34 ASP H 3.650 . 5.500 5.327 5.115 5.445 . 0 0 "[ . 1 . 2]" 5
97 1 27 ILE H 1 27 ILE MG 3.150 . 4.500 3.819 3.808 3.829 . 0 0 "[ . 1 . 2]" 5
98 1 79 ILE HA 1 82 VAL H 3.150 . 4.500 3.261 3.121 3.389 . 0 0 "[ . 1 . 2]" 5
99 1 71 GLN HG2 1 72 ARG H 3.650 . 5.500 4.782 4.588 4.960 . 0 0 "[ . 1 . 2]" 5
100 1 23 LEU MD2 1 24 VAL H 3.650 . 5.500 4.508 4.018 4.752 . 0 0 "[ . 1 . 2]" 5
101 1 77 ILE MD 1 81 ASN HD22 3.650 . 5.500 4.773 3.997 5.480 . 0 0 "[ . 1 . 2]" 5
102 1 85 LEU H 1 85 LEU MD1 3.650 . 5.500 3.665 3.513 3.762 . 0 0 "[ . 1 . 2]" 5
103 1 82 VAL MG1 1 85 LEU H 3.650 . 5.500 4.527 4.380 4.618 . 0 0 "[ . 1 . 2]" 5
104 1 23 LEU MD1 1 24 VAL H 3.650 . 5.500 4.441 4.299 4.539 . 0 0 "[ . 1 . 2]" 5
105 1 23 LEU HG 1 24 VAL H 3.650 . 5.500 3.939 3.585 4.198 . 0 0 "[ . 1 . 2]" 5
106 1 77 ILE MG 1 81 ASN HD21 3.650 . 5.500 4.593 3.404 5.522 0.022 11 0 "[ . 1 . 2]" 5
107 1 24 VAL H 1 90 ILE MD 3.650 . 5.500 4.303 3.916 4.864 . 0 0 "[ . 1 . 2]" 5
108 1 77 ILE MD 1 81 ASN HD21 3.650 . 5.500 3.826 2.751 4.770 . 0 0 "[ . 1 . 2]" 5
109 1 66 ILE H 1 66 ILE HB 3.150 . 4.500 3.734 3.716 3.754 . 0 0 "[ . 1 . 2]" 5
110 1 43 THR HA 1 44 SER H 3.150 . 4.500 3.569 3.537 3.595 . 0 0 "[ . 1 . 2]" 5
111 1 62 PHE HB3 1 63 TYR H 3.150 . 4.500 2.396 2.321 2.464 . 0 0 "[ . 1 . 2]" 5
112 1 35 LEU MD1 1 44 SER H 3.650 . 5.500 4.482 3.871 4.825 . 0 0 "[ . 1 . 2]" 5
113 1 23 LEU MD2 1 56 ILE H 3.650 . 5.500 4.909 4.328 5.599 0.099 9 0 "[ . 1 . 2]" 5
114 1 13 ARG QD 1 14 GLN H 3.650 . 5.500 5.037 4.711 5.531 0.031 10 0 "[ . 1 . 2]" 5
115 1 12 LEU H 1 12 LEU HB2 3.150 . 4.500 2.499 2.383 2.622 . 0 0 "[ . 1 . 2]" 5
116 1 12 LEU H 1 12 LEU HB3 3.150 . 4.500 3.606 3.569 3.634 . 0 0 "[ . 1 . 2]" 5
117 1 14 GLN H 1 14 GLN HG2 3.150 . 4.500 3.584 3.422 3.709 . 0 0 "[ . 1 . 2]" 5
118 1 10 VAL HB 1 11 LYS H 3.150 . 4.500 4.034 3.977 4.077 . 0 0 "[ . 1 . 2]" 5
119 1 75 LYS H 1 75 LYS QD 3.650 . 5.500 3.866 3.489 4.619 . 0 0 "[ . 1 . 2]" 5
120 1 10 VAL MG1 1 11 LYS H 3.150 . 4.500 2.399 2.317 2.483 . 0 0 "[ . 1 . 2]" 5
121 1 19 VAL MG2 1 59 ASN HD21 3.650 . 5.500 4.988 4.301 5.579 0.079 1 0 "[ . 1 . 2]" 5
122 1 12 LEU H 1 65 MET ME 3.650 . 5.500 3.790 3.098 4.363 . 0 0 "[ . 1 . 2]" 5
123 1 56 ILE H 1 56 ILE HG13 3.150 . 4.500 3.675 3.552 3.744 . 0 0 "[ . 1 . 2]" 5
124 1 8 GLU HG3 1 9 PHE H 3.650 . 5.500 4.876 3.836 5.196 . 0 0 "[ . 1 . 2]" 5
125 1 61 GLU QG 1 62 PHE H 3.150 . 4.500 3.838 2.540 4.501 0.001 6 0 "[ . 1 . 2]" 5
126 1 71 GLN H 1 71 GLN HG3 3.150 . 4.500 2.068 1.925 2.220 . 0 0 "[ . 1 . 2]" 5
127 1 86 ILE MG 1 89 THR H 3.650 . 5.500 4.448 4.338 4.574 . 0 0 "[ . 1 . 2]" 5
128 1 32 GLU HG3 1 83 ASN QD 3.650 . 5.500 3.410 2.756 4.467 . 0 0 "[ . 1 . 2]" 5
129 1 79 ILE MD 1 83 ASN QD 3.650 . 5.500 3.318 2.332 4.663 . 0 0 "[ . 1 . 2]" 5
130 1 36 ARG QD 1 37 GLY H 3.650 . 5.500 4.895 3.839 5.556 0.056 12 0 "[ . 1 . 2]" 5
131 1 84 GLN HE21 1 85 LEU MD2 3.650 . 5.500 5.378 4.183 5.547 0.047 11 0 "[ . 1 . 2]" 5
132 1 50 SER QB 1 51 SER H 3.650 . 5.500 3.073 2.740 3.665 . 0 0 "[ . 1 . 2]" 5
133 1 42 LYS HA 1 43 THR H 3.150 . 4.500 3.481 3.384 3.534 . 0 0 "[ . 1 . 2]" 5
134 1 75 LYS HA 1 76 LYS H 3.150 . 4.500 3.441 3.330 3.537 . 0 0 "[ . 1 . 2]" 5
135 1 25 MET HB3 1 26 GLN H 3.150 . 4.500 2.713 2.552 3.046 . 0 0 "[ . 1 . 2]" 5
136 1 88 THR HA 1 91 LYS H 3.150 . 4.500 3.602 3.358 3.891 . 0 0 "[ . 1 . 2]" 5
137 1 21 PHE HA 1 21 PHE QE 3.650 . 5.500 4.697 4.642 4.757 . 0 0 "[ . 1 . 2]" 5
138 1 21 PHE QE 1 91 LYS QE 3.650 . 5.500 4.202 2.432 4.819 . 0 0 "[ . 1 . 2]" 5
139 1 60 LYS H 1 60 LYS HD3 3.150 . 4.500 3.807 1.798 4.508 0.008 9 0 "[ . 1 . 2]" 5
140 1 42 LYS HG2 1 43 THR H 3.150 . 4.500 3.189 2.622 4.640 0.140 4 0 "[ . 1 . 2]" 5
141 1 60 LYS H 1 60 LYS QG 3.650 . 5.500 2.398 1.977 3.438 . 0 0 "[ . 1 . 2]" 5
142 1 23 LEU H 1 23 LEU MD1 3.650 . 5.500 4.128 4.070 4.176 . 0 0 "[ . 1 . 2]" 5
143 1 21 PHE QE 1 87 LEU MD1 3.650 . 5.500 3.257 2.592 3.622 . 0 0 "[ . 1 . 2]" 5
144 1 56 ILE MG 1 60 LYS H 3.650 . 5.500 5.151 4.860 5.336 . 0 0 "[ . 1 . 2]" 5
145 1 53 LEU H 1 53 LEU HB2 3.150 . 4.500 2.502 2.444 2.588 . 0 0 "[ . 1 . 2]" 5
146 1 23 LEU H 1 23 LEU HB3 3.150 . 4.500 2.496 2.374 2.561 . 0 0 "[ . 1 . 2]" 5
147 1 58 LYS H 1 58 LYS QD 3.150 . 4.500 3.699 2.238 4.499 . 0 0 "[ . 1 . 2]" 5
148 1 73 TYR QD 1 82 VAL MG1 3.650 . 5.500 4.001 3.724 4.217 . 0 0 "[ . 1 . 2]" 5
149 1 73 TYR QD 1 77 ILE MD 3.650 . 5.500 2.710 2.299 3.635 . 0 0 "[ . 1 . 2]" 5
150 1 3 ILE HA 1 5 GLU H 3.150 . 4.500 3.247 2.719 3.789 . 0 0 "[ . 1 . 2]" 5
151 1 15 PHE HB2 1 15 PHE QD 3.150 . 4.500 2.436 2.264 2.658 . 0 0 "[ . 1 . 2]" 5
152 1 5 GLU H 1 5 GLU HB2 3.150 . 4.500 2.566 2.308 3.689 . 0 0 "[ . 1 . 2]" 5
153 1 14 GLN QB 1 15 PHE QD 3.650 . 5.500 4.846 3.059 5.398 . 0 0 "[ . 1 . 2]" 5
154 1 73 TYR QD 1 82 VAL MG2 3.650 . 5.500 3.654 3.403 3.848 . 0 0 "[ . 1 . 2]" 5
155 1 69 ILE MG 1 73 TYR QD 3.150 . 4.500 2.258 2.036 2.587 . 0 0 "[ . 1 . 2]" 5
156 1 15 PHE QE 1 62 PHE HA 3.650 . 5.500 4.465 3.189 5.507 0.007 1 0 "[ . 1 . 2]" 5
157 1 4 LEU H 1 4 LEU HB3 3.150 . 4.500 3.608 3.556 3.673 . 0 0 "[ . 1 . 2]" 5
158 1 15 PHE QE 1 61 GLU QG 3.150 . 4.500 3.666 2.040 4.505 0.005 5 0 "[ . 1 . 2]" 5
159 1 15 PHE QE 1 61 GLU HB3 3.150 . 4.500 3.889 2.062 4.556 0.056 14 0 "[ . 1 . 2]" 5
160 1 15 PHE QE 1 61 GLU HB2 3.150 . 4.500 3.202 2.370 4.193 . 0 0 "[ . 1 . 2]" 5
161 1 74 TYR QD 1 75 LYS QD 3.650 . 5.500 3.990 3.261 5.266 . 0 0 "[ . 1 . 2]" 5
162 1 35 LEU H 1 35 LEU MD2 3.150 . 4.500 4.193 4.139 4.312 . 0 0 "[ . 1 . 2]" 5
163 1 35 LEU MD1 1 74 TYR QD 3.650 . 5.500 4.111 2.964 5.326 . 0 0 "[ . 1 . 2]" 5
164 1 4 LEU H 1 4 LEU MD2 3.650 . 5.500 3.523 3.337 3.814 . 0 0 "[ . 1 . 2]" 5
165 1 74 TYR QD 1 79 ILE MG 3.650 . 5.500 3.047 2.385 3.979 . 0 0 "[ . 1 . 2]" 5
166 1 74 TYR QD 1 79 ILE MD 3.650 . 5.500 4.070 3.760 4.494 . 0 0 "[ . 1 . 2]" 5
167 1 63 TYR QD 1 66 ILE MG 3.650 . 5.500 4.719 4.485 4.901 . 0 0 "[ . 1 . 2]" 5
168 1 56 ILE MG 1 63 TYR QD 3.650 . 5.500 3.496 3.127 3.764 . 0 0 "[ . 1 . 2]" 5
169 1 21 PHE QD 1 91 LYS HA 3.650 . 5.500 4.640 3.964 5.380 . 0 0 "[ . 1 . 2]" 5
170 1 21 PHE QD 1 22 ASN HA 3.650 . 5.500 3.227 2.846 3.648 . 0 0 "[ . 1 . 2]" 5
171 1 21 PHE QD 1 91 LYS QE 3.650 . 5.500 4.514 2.803 5.193 . 0 0 "[ . 1 . 2]" 5
172 1 9 PHE QD 1 10 VAL MG1 3.650 . 5.500 4.872 4.692 5.185 . 0 0 "[ . 1 . 2]" 5
173 1 4 LEU MD2 1 9 PHE QD 3.650 . 5.500 2.383 2.014 2.699 . 0 0 "[ . 1 . 2]" 5
174 1 9 PHE QD 1 89 THR MG 3.650 . 5.500 3.938 3.536 4.349 . 0 0 "[ . 1 . 2]" 5
175 1 9 PHE QD 1 69 ILE MG 3.650 . 5.500 2.697 2.329 3.259 . 0 0 "[ . 1 . 2]" 5
176 1 21 PHE QD 1 25 MET ME 3.650 . 5.500 3.824 3.083 5.243 . 0 0 "[ . 1 . 2]" 5
177 1 21 PHE QD 1 90 ILE MD 3.150 . 4.500 2.174 1.948 2.567 . 0 0 "[ . 1 . 2]" 5
178 1 35 LEU MD2 1 74 TYR QE 3.650 . 5.500 2.985 2.451 3.942 . 0 0 "[ . 1 . 2]" 5
179 1 35 LEU MD1 1 74 TYR QE 3.650 . 5.500 3.182 2.373 4.454 . 0 0 "[ . 1 . 2]" 5
180 1 21 PHE HZ 1 25 MET ME 3.650 . 5.500 4.634 2.625 5.527 0.027 7 0 "[ . 1 . 2]" 5
181 1 73 TYR QE 1 76 LYS QD 3.650 . 5.500 2.924 2.106 4.553 . 0 0 "[ . 1 . 2]" 5
182 1 73 TYR QE 1 82 VAL MG2 3.650 . 5.500 5.349 5.165 5.498 . 0 0 "[ . 1 . 2]" 5
183 1 84 GLN HE22 1 85 LEU MD2 3.650 . 5.500 4.826 4.098 5.578 0.078 19 0 "[ . 1 . 2]" 5
184 1 69 ILE MG 1 73 TYR QE 3.650 . 5.500 3.017 2.616 3.433 . 0 0 "[ . 1 . 2]" 5
185 1 3 ILE MD 1 9 PHE QE 3.650 . 5.500 3.039 2.554 4.103 . 0 0 "[ . 1 . 2]" 5
186 1 73 TYR QE 1 77 ILE MD 3.650 . 5.500 4.127 3.621 5.137 . 0 0 "[ . 1 . 2]" 5
187 1 47 TYR HA 1 47 TYR QE 3.650 . 5.500 4.684 4.578 4.850 . 0 0 "[ . 1 . 2]" 5
188 1 49 TYR QD 1 56 ILE HG12 3.650 . 5.500 4.751 4.638 4.822 . 0 0 "[ . 1 . 2]" 5
189 1 73 TYR QE 1 85 LEU MD1 3.650 . 5.500 5.314 4.965 5.566 0.066 8 0 "[ . 1 . 2]" 5
190 1 48 VAL MG1 1 49 TYR QD 3.650 . 5.500 2.729 2.556 2.953 . 0 0 "[ . 1 . 2]" 5
191 1 48 VAL MG2 1 49 TYR QD 3.650 . 5.500 4.094 3.911 4.377 . 0 0 "[ . 1 . 2]" 5
192 1 4 LEU MD2 1 9 PHE QE 3.650 . 5.500 2.105 1.884 2.537 . 0 0 "[ . 1 . 2]" 5
193 1 43 THR MG 1 47 TYR QE 3.650 . 5.500 2.841 2.550 3.030 . 0 0 "[ . 1 . 2]" 5
194 1 31 ILE MD 1 49 TYR QD 3.650 . 5.500 5.403 5.078 5.533 0.033 11 0 "[ . 1 . 2]" 5
195 1 46 ILE MD 1 47 TYR QE 3.650 . 5.500 5.099 4.745 5.344 . 0 0 "[ . 1 . 2]" 5
196 1 12 LEU MD1 1 62 PHE QE 3.150 . 4.500 3.534 3.121 4.257 . 0 0 "[ . 1 . 2]" 5
197 1 62 PHE HZ 1 86 ILE MG 3.650 . 5.500 2.677 2.266 3.301 . 0 0 "[ . 1 . 2]" 5
198 1 24 VAL MG1 1 62 PHE QE 3.150 . 4.500 2.503 2.202 3.016 . 0 0 "[ . 1 . 2]" 5
199 1 19 VAL MG1 1 62 PHE QE 3.650 . 5.500 3.476 2.819 4.438 . 0 0 "[ . 1 . 2]" 5
200 1 45 ILE MD 1 71 GLN HE22 3.650 . 5.500 5.243 4.652 5.518 0.018 15 0 "[ . 1 . 2]" 5
201 1 62 PHE QE 1 66 ILE MD 3.150 . 4.500 2.525 2.354 2.811 . 0 0 "[ . 1 . 2]" 5
202 1 24 VAL HA 1 63 TYR QE 3.650 . 5.500 3.270 2.999 3.589 . 0 0 "[ . 1 . 2]" 5
203 1 56 ILE HA 1 63 TYR QE 3.650 . 5.500 3.408 2.834 3.905 . 0 0 "[ . 1 . 2]" 5
204 1 59 ASN HB2 1 63 TYR QE 3.150 . 4.500 2.377 1.858 2.890 . 0 0 "[ . 1 . 2]" 5
205 1 56 ILE MD 1 63 TYR QE 3.650 . 5.500 3.158 2.961 3.585 . 0 0 "[ . 1 . 2]" 5
206 1 49 TYR QE 1 56 ILE MG 3.650 . 5.500 3.428 3.225 3.879 . 0 0 "[ . 1 . 2]" 5
207 1 27 ILE MG 1 49 TYR QE 3.150 . 4.500 2.308 2.014 2.665 . 0 0 "[ . 1 . 2]" 5
208 1 31 ILE MD 1 49 TYR QE 3.650 . 5.500 3.914 3.400 4.229 . 0 0 "[ . 1 . 2]" 5
209 1 59 ASN HA 1 62 PHE QD 3.900 . 6.000 5.785 5.363 6.012 0.012 3 0 "[ . 1 . 2]" 5
210 1 19 VAL MG1 1 62 PHE QD 3.650 . 5.500 2.851 2.367 3.753 . 0 0 "[ . 1 . 2]" 5
211 1 62 PHE QD 1 66 ILE MD 3.650 . 5.500 3.316 2.939 3.663 . 0 0 "[ . 1 . 2]" 5
212 1 43 THR H 1 46 ILE MD 3.650 . 5.500 4.390 4.142 4.613 . 0 0 "[ . 1 . 2]" 5
213 1 10 VAL MG2 1 13 ARG QD 3.650 . 5.500 4.858 3.659 5.509 0.009 13 0 "[ . 1 . 2]" 5
214 1 3 ILE MG 1 73 TYR QE 3.650 . 5.500 4.628 2.382 5.455 . 0 0 "[ . 1 . 2]" 5
215 1 27 ILE MD 1 52 HIS HA 3.650 . 5.500 4.740 4.562 5.024 . 0 0 "[ . 1 . 2]" 5
216 1 81 ASN HB3 1 82 VAL MG2 3.150 . 4.500 3.897 2.902 4.124 . 0 0 "[ . 1 . 2]" 5
217 1 77 ILE HA 1 77 ILE MG 3.150 . 4.500 2.312 2.278 2.368 . 0 0 "[ . 1 . 2]" 5
218 1 81 ASN HA 1 84 GLN QG 3.650 . 5.500 4.545 4.201 4.925 . 0 0 "[ . 1 . 2]" 5
219 1 81 ASN HA 1 84 GLN QB 3.150 . 4.500 3.106 2.836 3.410 . 0 0 "[ . 1 . 2]" 5
220 1 18 LYS HA 1 18 LYS HG3 . . 2.800 2.693 2.345 2.885 0.085 20 0 "[ . 1 . 2]" 5
221 1 18 LYS HA 1 19 VAL MG2 3.650 . 5.500 4.491 4.074 5.016 . 0 0 "[ . 1 . 2]" 5
222 1 83 ASN HA 1 86 ILE HB 3.150 . 4.500 3.071 2.833 3.413 . 0 0 "[ . 1 . 2]" 5
223 1 29 ASP HA 1 32 GLU HB2 3.150 . 4.500 3.359 3.078 3.612 . 0 0 "[ . 1 . 2]" 5
224 1 12 LEU MD1 1 89 THR HB 3.650 . 5.500 4.139 3.777 4.393 . 0 0 "[ . 1 . 2]" 5
225 1 82 VAL MG1 1 83 ASN HA 3.650 . 5.500 3.756 3.563 3.947 . 0 0 "[ . 1 . 2]" 5
226 1 83 ASN HA 1 87 LEU MD1 3.650 . 5.500 4.873 4.615 5.189 . 0 0 "[ . 1 . 2]" 5
227 1 86 ILE MG 1 89 THR HB 3.650 . 5.500 3.482 3.227 3.807 . 0 0 "[ . 1 . 2]" 5
228 1 79 ILE MD 1 83 ASN HA 3.650 . 5.500 4.227 3.731 4.540 . 0 0 "[ . 1 . 2]" 5
229 1 35 LEU HA 1 35 LEU MD2 3.150 . 4.500 3.786 2.538 3.981 . 0 0 "[ . 1 . 2]" 5
230 1 38 SER HA 1 38 SER QB . . 2.800 2.306 2.152 2.443 . 0 0 "[ . 1 . 2]" 5
231 1 22 ASN HA 1 25 MET QG 3.650 . 4.500 4.401 4.037 4.538 0.038 4 0 "[ . 1 . 2]" 5
232 1 54 ASP HA 1 57 ARG QD 3.150 . 4.500 3.263 2.357 4.564 0.064 20 0 "[ . 1 . 2]" 5
233 1 76 LYS HA 1 76 LYS QG 3.150 . 4.500 2.447 2.340 2.540 . 0 0 "[ . 1 . 2]" 5
234 1 7 PRO HA 1 10 VAL MG2 3.650 . 5.500 4.721 4.483 4.940 . 0 0 "[ . 1 . 2]" 5
235 1 76 LYS HA 1 77 ILE MG 3.150 . 4.500 4.288 4.182 4.395 . 0 0 "[ . 1 . 2]" 5
236 1 17 GLY HA2 1 19 VAL MG1 3.650 . 5.500 3.991 2.887 5.427 . 0 0 "[ . 1 . 2]" 5
237 1 17 GLY HA2 1 19 VAL MG2 3.650 . 5.500 2.892 2.380 4.251 . 0 0 "[ . 1 . 2]" 5
238 1 16 LYS HA 1 90 ILE HA 3.650 . 5.500 3.512 2.604 4.680 . 0 0 "[ . 1 . 2]" 5
239 1 85 LEU HA 1 85 LEU MD1 3.650 . 5.500 3.845 3.808 3.881 . 0 0 "[ . 1 . 2]" 5
240 1 59 ASN HA 1 60 LYS HA 3.650 . 5.500 4.580 4.448 4.741 . 0 0 "[ . 1 . 2]" 5
241 1 25 MET QG 1 26 GLN HA 3.150 . 4.500 3.884 3.391 4.578 0.078 11 0 "[ . 1 . 2]" 5
242 1 10 VAL MG2 1 11 LYS HA 3.150 . 4.500 4.069 3.834 4.376 . 0 0 "[ . 1 . 2]" 5
243 1 74 TYR HA 1 77 ILE MD 3.650 . 5.500 5.085 4.757 5.313 . 0 0 "[ . 1 . 2]" 5
244 1 91 LYS HA 1 91 LYS QE 3.150 . 4.500 3.848 1.787 4.659 0.159 19 0 "[ . 1 . 2]" 5
245 1 35 LEU MD1 1 44 SER HB2 3.650 . 5.500 3.981 3.479 4.375 . 0 0 "[ . 1 . 2]" 5
246 1 87 LEU HA 1 90 ILE MG 3.150 . 4.500 4.065 3.716 4.521 0.021 17 0 "[ . 1 . 2]" 5
247 1 86 ILE MG 1 87 LEU HA 3.150 . 4.500 3.502 3.428 3.591 . 0 0 "[ . 1 . 2]" 5
248 1 28 LEU HA 1 31 ILE MG 3.150 . 4.500 3.776 3.303 3.953 . 0 0 "[ . 1 . 2]" 5
249 1 32 GLU HG3 1 33 LEU HA 3.650 . 5.500 4.929 4.638 5.065 . 0 0 "[ . 1 . 2]" 5
250 1 71 GLN HA 1 71 GLN HG3 3.150 . 4.500 3.169 3.012 3.317 . 0 0 "[ . 1 . 2]" 5
251 1 41 ILE HG12 1 44 SER HB2 3.150 . 4.500 3.784 3.333 4.240 . 0 0 "[ . 1 . 2]" 5
252 1 41 ILE MG 1 71 GLN HA 3.150 . 4.500 2.054 1.897 2.296 . 0 0 "[ . 1 . 2]" 5
253 1 45 ILE MG 1 67 ALA HA 3.650 . 5.500 3.863 3.393 4.218 . 0 0 "[ . 1 . 2]" 5
254 1 57 ARG HA 1 57 ARG QB . . 2.800 2.255 2.167 2.434 . 0 0 "[ . 1 . 2]" 5
255 1 17 GLY HA3 1 19 VAL MG1 3.650 . 5.500 4.647 2.906 5.595 0.095 9 0 "[ . 1 . 2]" 5
256 1 63 TYR HA 1 66 ILE MG 3.150 . 4.500 3.672 3.576 3.736 . 0 0 "[ . 1 . 2]" 5
257 1 17 GLY HA3 1 19 VAL MG2 3.650 . 5.500 3.131 2.369 5.005 . 0 0 "[ . 1 . 2]" 5
258 1 7 PRO HA 1 7 PRO HD2 3.150 . 4.500 3.931 3.911 3.955 . 0 0 "[ . 1 . 2]" 5
259 1 63 TYR HA 1 66 ILE MD 3.150 . 4.500 2.603 2.456 2.737 . 0 0 "[ . 1 . 2]" 5
260 1 43 THR HA 1 46 ILE MG 3.150 . 4.500 4.205 3.876 4.476 . 0 0 "[ . 1 . 2]" 5
261 1 42 LYS HA 1 45 ILE HB 3.150 . 4.500 2.629 2.210 2.994 . 0 0 "[ . 1 . 2]" 5
262 1 32 GLU HA 1 32 GLU HG2 3.150 . 4.500 3.171 3.027 3.252 . 0 0 "[ . 1 . 2]" 5
263 1 42 LYS HA 1 42 LYS QD 3.150 . 4.500 4.298 3.816 4.532 0.032 14 0 "[ . 1 . 2]" 5
264 1 42 LYS HA 1 42 LYS HG3 3.150 . 4.500 3.672 2.872 3.822 . 0 0 "[ . 1 . 2]" 5
265 1 42 LYS HA 1 45 ILE MD 3.650 . 5.500 4.106 3.858 4.449 . 0 0 "[ . 1 . 2]" 5
266 1 42 LYS HA 1 45 ILE MG 3.650 . 5.500 3.808 3.506 4.108 . 0 0 "[ . 1 . 2]" 5
267 1 43 THR HA 1 46 ILE MD 3.150 . 4.500 2.141 2.012 2.306 . 0 0 "[ . 1 . 2]" 5
268 1 3 ILE HA 1 3 ILE HG13 3.150 . 4.500 2.808 2.308 3.777 . 0 0 "[ . 1 . 2]" 5
269 1 3 ILE HA 1 3 ILE HG12 3.650 . 5.500 3.429 3.058 3.835 . 0 0 "[ . 1 . 2]" 5
270 1 32 GLU HA 1 79 ILE MG 3.650 . 4.500 3.105 2.690 3.626 . 0 0 "[ . 1 . 2]" 5
271 1 31 ILE MG 1 44 SER HB3 3.150 . 4.500 3.124 2.519 3.602 . 0 0 "[ . 1 . 2]" 5
272 1 75 LYS HA 1 75 LYS QD 3.150 . 4.500 3.093 1.903 4.220 . 0 0 "[ . 1 . 2]" 5
273 1 4 LEU HA 1 4 LEU MD1 3.150 . 4.500 3.874 3.851 3.896 . 0 0 "[ . 1 . 2]" 5
274 1 82 VAL HA 1 85 LEU MD2 3.650 . 5.500 4.618 4.178 4.812 . 0 0 "[ . 1 . 2]" 5
275 1 25 MET HA 1 87 LEU MD1 3.150 . 4.500 3.024 2.694 3.283 . 0 0 "[ . 1 . 2]" 5
276 1 69 ILE HA 1 69 ILE MG 3.150 . 4.500 2.468 2.407 2.520 . 0 0 "[ . 1 . 2]" 5
277 1 86 ILE HA 1 89 THR HB . . 3.500 2.755 2.394 3.368 . 0 0 "[ . 1 . 2]" 5
278 1 69 ILE HA 1 69 ILE HG13 3.150 . 4.500 2.925 2.810 3.013 . 0 0 "[ . 1 . 2]" 5
279 1 82 VAL HA 1 85 LEU MD1 3.650 . 5.500 2.538 2.188 2.858 . 0 0 "[ . 1 . 2]" 5
280 1 41 ILE MD 1 74 TYR HB2 3.650 . 5.500 3.148 2.708 3.535 . 0 0 "[ . 1 . 2]" 5
281 1 77 ILE MD 1 82 VAL HA 3.150 . 4.500 3.047 2.665 3.273 . 0 0 "[ . 1 . 2]" 5
282 1 24 VAL HA 1 27 ILE MD 3.650 . 4.500 4.038 3.875 4.271 . 0 0 "[ . 1 . 2]" 5
283 1 31 ILE HA 1 45 ILE HA 3.650 . 5.500 5.022 4.672 5.287 . 0 0 "[ . 1 . 2]" 5
284 1 31 ILE HA 1 31 ILE MG 3.150 . 4.500 2.397 2.318 2.444 . 0 0 "[ . 1 . 2]" 5
285 1 46 ILE HA 1 46 ILE HG13 3.150 . 4.500 3.008 2.963 3.056 . 0 0 "[ . 1 . 2]" 5
286 1 45 ILE MG 1 46 ILE HA 3.150 . 4.500 3.185 3.080 3.291 . 0 0 "[ . 1 . 2]" 5
287 1 46 ILE HA 1 46 ILE MD 3.150 . 4.500 3.835 3.799 3.852 . 0 0 "[ . 1 . 2]" 5
288 1 65 MET HB3 1 66 ILE HA 3.650 . 5.500 4.224 4.098 4.381 . 0 0 "[ . 1 . 2]" 5
289 1 62 PHE HA 1 65 MET HB2 3.150 . 4.500 3.160 2.861 3.480 . 0 0 "[ . 1 . 2]" 5
290 1 19 VAL MG2 1 21 PHE HA 3.650 . 5.500 3.595 3.135 4.331 . 0 0 "[ . 1 . 2]" 5
291 1 27 ILE HA 1 27 ILE HG12 . . 3.500 3.128 3.064 3.172 . 0 0 "[ . 1 . 2]" 5
292 1 27 ILE HA 1 27 ILE HG13 3.650 . 4.500 3.805 3.751 3.835 . 0 0 "[ . 1 . 2]" 5
293 1 27 ILE HA 1 48 VAL MG1 3.650 . 5.500 2.214 1.983 2.474 . 0 0 "[ . 1 . 2]" 5
294 1 19 VAL MG1 1 62 PHE HB2 3.650 . 5.500 3.768 3.061 5.047 . 0 0 "[ . 1 . 2]" 5
295 1 4 LEU HA 1 9 PHE HB2 3.650 . 5.500 5.049 4.739 5.281 . 0 0 "[ . 1 . 2]" 5
296 1 47 TYR HB3 1 48 VAL MG2 3.650 . 5.500 3.868 3.697 4.051 . 0 0 "[ . 1 . 2]" 5
297 1 4 LEU MD2 1 9 PHE HB2 3.650 . 5.500 5.358 5.159 5.510 0.010 20 0 "[ . 1 . 2]" 5
298 1 44 SER HB3 1 45 ILE HA 3.650 . 5.500 4.761 4.677 4.876 . 0 0 "[ . 1 . 2]" 5
299 1 36 ARG HA 1 36 ARG QD 3.650 . 5.500 2.736 1.917 4.212 . 0 0 "[ . 1 . 2]" 5
300 1 32 GLU HG2 1 36 ARG QD 3.650 . 5.500 3.683 2.354 5.031 . 0 0 "[ . 1 . 2]" 5
301 1 57 ARG QB 1 57 ARG QD . . 3.500 2.252 2.042 2.370 . 0 0 "[ . 1 . 2]" 5
302 1 73 TYR HB2 1 82 VAL MG2 3.650 . 5.500 2.374 2.182 2.516 . 0 0 "[ . 1 . 2]" 5
303 1 73 TYR HB2 1 82 VAL MG1 3.650 . 5.500 2.706 2.453 2.873 . 0 0 "[ . 1 . 2]" 5
304 1 45 ILE HA 1 45 ILE MD . . 3.500 2.092 2.052 2.127 . 0 0 "[ . 1 . 2]" 5
305 1 45 ILE HA 1 45 ILE MG 3.150 . 4.500 2.556 2.510 2.597 . 0 0 "[ . 1 . 2]" 5
306 1 76 LYS QE 1 76 LYS QG 3.150 . 4.500 2.332 2.072 2.847 . 0 0 "[ . 1 . 2]" 5
307 1 31 ILE MG 1 45 ILE HA 3.650 . 5.500 2.322 2.175 2.444 . 0 0 "[ . 1 . 2]" 5
308 1 75 LYS HA 1 75 LYS QE 3.650 . 5.500 4.232 2.897 5.105 . 0 0 "[ . 1 . 2]" 5
309 1 18 LYS HB3 1 18 LYS QE 3.650 . 5.500 2.662 2.022 3.754 . 0 0 "[ . 1 . 2]" 5
310 1 42 LYS QB 1 42 LYS QE 3.650 . 5.500 2.670 1.857 3.596 . 0 0 "[ . 1 . 2]" 5
311 1 75 LYS HB2 1 75 LYS QE 3.650 . 5.500 3.662 1.939 4.518 . 0 0 "[ . 1 . 2]" 5
312 1 60 LYS QE 1 60 LYS QG 3.150 . 4.500 2.363 2.104 2.780 . 0 0 "[ . 1 . 2]" 5
313 1 9 PHE HB3 1 69 ILE MG 3.650 . 5.500 4.622 4.325 5.025 . 0 0 "[ . 1 . 2]" 5
314 1 27 ILE HA 1 27 ILE MD 3.150 . 4.500 2.138 2.046 2.220 . 0 0 "[ . 1 . 2]" 5
315 1 42 LYS HA 1 42 LYS QE 3.650 . 5.500 4.811 4.012 5.573 0.073 8 0 "[ . 1 . 2]" 5
316 1 28 LEU MD2 1 83 ASN HB2 3.150 . 4.500 4.283 3.645 4.519 0.019 12 0 "[ . 1 . 2]" 5
317 1 41 ILE MD 1 74 TYR HB3 3.650 . 5.500 2.744 2.454 2.936 . 0 0 "[ . 1 . 2]" 5
318 1 79 ILE MG 1 83 ASN HB2 3.650 . 5.500 4.971 4.437 5.448 . 0 0 "[ . 1 . 2]" 5
319 1 79 ILE MD 1 83 ASN HB2 3.650 . 5.500 4.258 3.275 4.933 . 0 0 "[ . 1 . 2]" 5
320 1 77 ILE HG13 1 81 ASN HB2 3.150 . 4.500 2.533 2.302 2.844 . 0 0 "[ . 1 . 2]" 5
321 1 77 ILE MD 1 81 ASN HB2 3.150 . 4.500 2.859 2.487 3.457 . 0 0 "[ . 1 . 2]" 5
322 1 77 ILE HB 1 81 ASN HB2 3.650 . 5.500 3.255 2.917 3.544 . 0 0 "[ . 1 . 2]" 5
323 1 49 TYR HB3 1 56 ILE HG12 3.150 . 4.500 4.362 4.112 4.518 0.018 19 0 "[ . 1 . 2]" 5
324 1 47 TYR HB2 1 48 VAL MG2 3.150 . 4.500 2.583 2.459 2.700 . 0 0 "[ . 1 . 2]" 5
325 1 45 ILE MG 1 49 TYR HB3 3.650 . 5.500 4.167 3.913 4.451 . 0 0 "[ . 1 . 2]" 5
326 1 73 TYR HB3 1 76 LYS QB 3.650 . 5.500 3.585 3.338 3.865 . 0 0 "[ . 1 . 2]" 5
327 1 65 MET HA 1 65 MET HG3 . . 3.500 2.983 2.810 3.021 . 0 0 "[ . 1 . 2]" 5
328 1 91 LYS QB 1 91 LYS QE 3.650 . 4.500 2.875 1.892 3.827 . 0 0 "[ . 1 . 2]" 5
329 1 82 VAL HB 1 85 LEU MD1 3.650 . 5.500 5.153 4.724 5.513 0.013 19 0 "[ . 1 . 2]" 5
330 1 40 ASN HB3 1 43 THR HB 3.150 . 4.500 3.055 2.202 4.508 0.008 6 0 "[ . 1 . 2]" 5
331 1 77 ILE HB 1 81 ASN HB3 3.150 . 4.500 3.423 3.113 3.744 . 0 0 "[ . 1 . 2]" 5
332 1 77 ILE HG13 1 81 ASN HB3 3.650 . 4.500 3.255 2.063 3.542 . 0 0 "[ . 1 . 2]" 5
333 1 77 ILE MG 1 81 ASN HB3 3.650 . 5.500 4.396 4.188 4.634 . 0 0 "[ . 1 . 2]" 5
334 1 34 ASP HB3 1 44 SER HB3 3.650 . 5.500 2.479 2.089 3.363 . 0 0 "[ . 1 . 2]" 5
335 1 67 ALA HA 1 71 GLN HG2 3.650 . 5.500 5.409 5.129 5.556 0.056 1 0 "[ . 1 . 2]" 5
336 1 27 ILE HA 1 30 GLU HB3 3.150 . 4.500 3.288 2.991 4.444 . 0 0 "[ . 1 . 2]" 5
337 1 30 GLU HB3 1 48 VAL MG2 3.150 . 4.500 2.164 1.966 2.282 . 0 0 "[ . 1 . 2]" 5
338 1 41 ILE MG 1 71 GLN HG2 . . 3.500 1.921 1.812 2.015 . 0 0 "[ . 1 . 2]" 5
339 1 27 ILE MG 1 30 GLU HB3 3.650 . 5.500 4.428 4.168 5.325 . 0 0 "[ . 1 . 2]" 5
340 1 41 ILE MD 1 71 GLN HG2 3.650 . 5.500 2.817 2.413 3.270 . 0 0 "[ . 1 . 2]" 5
341 1 26 GLN QB 1 27 ILE HG13 3.650 . 5.500 5.360 5.232 5.485 . 0 0 "[ . 1 . 2]" 5
342 1 52 HIS HB3 1 56 ILE HG13 3.650 . 5.500 4.930 4.205 5.407 . 0 0 "[ . 1 . 2]" 5
343 1 7 PRO HB2 1 10 VAL MG1 3.150 . 4.500 4.170 3.869 4.337 . 0 0 "[ . 1 . 2]" 5
344 1 56 ILE MG 1 63 TYR HB2 3.150 . 4.500 2.691 2.515 2.865 . 0 0 "[ . 1 . 2]" 5
345 1 7 PRO HB2 1 7 PRO HD3 3.150 . 4.500 3.901 3.852 3.946 . 0 0 "[ . 1 . 2]" 5
346 1 7 PRO HB2 1 7 PRO HD2 3.150 . 4.500 3.022 2.937 3.142 . 0 0 "[ . 1 . 2]" 5
347 1 32 GLU HG2 1 33 LEU HB3 3.650 . 5.500 4.319 4.007 4.459 . 0 0 "[ . 1 . 2]" 5
348 1 32 GLU HG2 1 33 LEU HB2 3.650 . 5.500 5.478 5.194 5.533 0.033 1 0 "[ . 1 . 2]" 5
349 1 25 MET QG 1 87 LEU MD1 3.650 . 5.500 2.407 2.114 2.799 . 0 0 "[ . 1 . 2]" 5
350 1 19 VAL MG2 1 90 ILE HB 3.650 . 5.500 3.588 2.681 4.618 . 0 0 "[ . 1 . 2]" 5
351 1 25 MET ME 1 25 MET QG 3.150 . 4.500 2.449 2.407 2.506 . 0 0 "[ . 1 . 2]" 5
352 1 79 ILE MG 1 80 GLU QG 3.150 . 4.500 2.785 2.088 4.424 . 0 0 "[ . 1 . 2]" 5
353 1 79 ILE HG12 1 82 VAL HB 3.650 . 5.500 5.448 5.280 5.526 0.026 9 0 "[ . 1 . 2]" 5
354 1 26 GLN QB 1 27 ILE HG12 3.650 . 5.500 3.713 3.578 3.846 . 0 0 "[ . 1 . 2]" 5
355 1 79 ILE HG13 1 83 ASN HB2 3.150 . 4.500 3.915 3.039 4.502 0.002 16 0 "[ . 1 . 2]" 5
356 1 18 LYS HB2 1 19 VAL MG1 3.650 . 5.500 3.484 2.971 4.347 . 0 0 "[ . 1 . 2]" 5
357 1 62 PHE HA 1 65 MET ME 3.150 . 4.500 2.746 2.112 4.501 0.001 18 0 "[ . 1 . 2]" 5
358 1 65 MET ME 1 65 MET HG3 3.150 . 4.500 2.561 2.418 3.380 . 0 0 "[ . 1 . 2]" 5
359 1 12 LEU MD1 1 65 MET ME 3.150 . 4.500 3.820 3.285 4.004 . 0 0 "[ . 1 . 2]" 5
360 1 65 MET ME 1 66 ILE MG 3.650 . 5.500 4.299 4.033 4.606 . 0 0 "[ . 1 . 2]" 5
361 1 56 ILE MG 1 57 ARG QB 3.650 . 5.500 4.255 3.797 4.887 . 0 0 "[ . 1 . 2]" 5
362 1 19 VAL MG2 1 24 VAL HB 3.150 . 4.500 3.838 3.413 4.170 . 0 0 "[ . 1 . 2]" 5
363 1 45 ILE MG 1 48 VAL HB 3.650 . 5.500 4.379 4.212 4.521 . 0 0 "[ . 1 . 2]" 5
364 1 48 VAL HB 1 56 ILE MD 3.650 . 5.500 4.999 4.817 5.110 . 0 0 "[ . 1 . 2]" 5
365 1 75 LYS HB3 1 76 LYS QB 3.650 . 5.500 4.875 3.617 5.506 0.006 17 0 "[ . 1 . 2]" 5
366 1 13 ARG QB 1 89 THR MG 3.150 . 4.500 3.443 2.049 3.901 . 0 0 "[ . 1 . 2]" 5
367 1 76 LYS QB 1 77 ILE MG 3.150 . 4.500 2.853 2.419 3.184 . 0 0 "[ . 1 . 2]" 5
368 1 59 ASN HA 1 62 PHE HB3 3.150 . 4.500 4.274 3.834 4.484 . 0 0 "[ . 1 . 2]" 5
369 1 85 LEU HB2 1 85 LEU MD1 3.150 . 4.500 2.347 2.293 2.384 . 0 0 "[ . 1 . 2]" 5
370 1 85 LEU HB2 1 85 LEU MD2 . . 3.500 3.212 3.199 3.221 . 0 0 "[ . 1 . 2]" 5
371 1 43 THR HB 1 46 ILE HB 3.650 . 5.500 5.325 4.911 5.515 0.015 19 0 "[ . 1 . 2]" 5
372 1 29 ASP HA 1 32 GLU HB3 3.150 . 4.500 2.481 2.330 2.585 . 0 0 "[ . 1 . 2]" 5
373 1 41 ILE MG 1 42 LYS QB 3.150 . 4.500 3.451 3.138 4.110 . 0 0 "[ . 1 . 2]" 5
374 1 63 TYR HA 1 66 ILE HB 3.400 . 5.000 4.774 4.708 4.876 . 0 0 "[ . 1 . 2]" 5
375 1 86 ILE MG 1 87 LEU HG 3.150 . 4.500 4.155 4.018 4.334 . 0 0 "[ . 1 . 2]" 5
376 1 88 THR HA 1 91 LYS QB 3.150 . 4.500 3.095 2.332 4.490 . 0 0 "[ . 1 . 2]" 5
377 1 67 ALA HA 1 70 LEU HG 3.150 . 4.500 3.467 3.266 3.716 . 0 0 "[ . 1 . 2]" 5
378 1 53 LEU HB2 1 54 ASP QB 3.400 . 5.000 4.203 3.986 4.938 . 0 0 "[ . 1 . 2]" 5
379 1 84 GLN QG 1 87 LEU HG 3.650 . 5.500 5.403 5.118 5.516 0.016 13 0 "[ . 1 . 2]" 5
380 1 41 ILE HG12 1 45 ILE HG12 3.150 . 3.300 2.506 2.275 2.617 . 0 0 "[ . 1 . 2]" 5
381 1 10 VAL MG2 1 13 ARG QG 3.150 . 4.500 3.667 2.578 4.528 0.028 14 0 "[ . 1 . 2]" 5
382 1 76 LYS QD 1 77 ILE MG 3.150 . 4.500 3.356 1.992 4.470 . 0 0 "[ . 1 . 2]" 5
383 1 31 ILE MG 1 45 ILE HG12 3.150 . 4.500 3.606 2.939 3.907 . 0 0 "[ . 1 . 2]" 5
384 1 76 LYS QD 1 77 ILE MD 3.650 . 5.500 4.600 3.976 5.446 . 0 0 "[ . 1 . 2]" 5
385 1 50 SER QB 1 53 LEU HG 3.650 . 5.500 4.189 3.731 4.573 . 0 0 "[ . 1 . 2]" 5
386 1 35 LEU HA 1 35 LEU HG 3.150 . 3.500 3.154 2.664 3.324 . 0 0 "[ . 1 . 2]" 5
387 1 19 VAL MG2 1 90 ILE QG 3.650 . 5.500 4.356 3.810 5.244 . 0 0 "[ . 1 . 2]" 5
388 1 56 ILE HB 1 56 ILE MD 3.150 . 4.500 3.253 3.246 3.257 . 0 0 "[ . 1 . 2]" 5
389 1 20 ASN HB2 1 23 LEU HB2 3.150 . 4.500 3.565 2.244 4.421 . 0 0 "[ . 1 . 2]" 5
390 1 60 LYS HD3 1 61 GLU QG 3.650 . 5.500 4.602 2.214 5.585 0.085 14 0 "[ . 1 . 2]" 5
391 1 66 ILE MG 1 67 ALA MB 3.650 . 5.500 5.203 5.167 5.254 . 0 0 "[ . 1 . 2]" 5
392 1 45 ILE MG 1 67 ALA MB 3.150 . 4.500 2.372 2.011 2.652 . 0 0 "[ . 1 . 2]" 5
393 1 63 TYR HA 1 67 ALA MB 3.650 . 5.500 4.336 4.127 4.596 . 0 0 "[ . 1 . 2]" 5
394 1 31 ILE MG 1 45 ILE HB 3.650 . 5.500 4.606 4.342 4.738 . 0 0 "[ . 1 . 2]" 5
395 1 60 LYS QG 1 61 GLU QG 3.650 . 5.500 2.921 2.129 4.082 . 0 0 "[ . 1 . 2]" 5
396 1 25 MET HA 1 28 LEU HB3 3.650 . 5.500 4.519 4.198 5.061 . 0 0 "[ . 1 . 2]" 5
397 1 91 LYS HA 1 91 LYS QD 3.150 . 4.500 3.126 1.874 4.241 . 0 0 "[ . 1 . 2]" 5
398 1 27 ILE MG 1 48 VAL MG1 3.150 . 4.500 2.099 1.980 2.214 . 0 0 "[ . 1 . 2]" 5
399 1 89 THR HA 1 89 THR MG . . 3.500 2.386 2.228 2.519 . 0 0 "[ . 1 . 2]" 5
400 1 43 THR HA 1 43 THR MG 3.150 . 3.500 2.289 2.217 2.349 . 0 0 "[ . 1 . 2]" 5
401 1 13 ARG QD 1 89 THR MG 3.650 . 5.500 2.357 1.814 3.472 . 0 0 "[ . 1 . 2]" 5
402 1 79 ILE MG 1 80 GLU HB2 3.650 . 5.500 4.193 3.060 4.614 . 0 0 "[ . 1 . 2]" 5
403 1 12 LEU MD1 1 89 THR MG 3.650 . 5.500 2.914 2.437 3.456 . 0 0 "[ . 1 . 2]" 5
404 1 79 ILE MG 1 80 GLU HA 3.150 . 3.500 3.376 3.282 3.504 0.004 5 0 "[ . 1 . 2]" 5
405 1 30 GLU QG 1 48 VAL MG2 3.650 . 5.500 2.213 1.937 2.941 . 0 0 "[ . 1 . 2]" 5
406 1 32 GLU HB2 1 79 ILE MG 3.650 . 5.500 3.817 3.541 4.153 . 0 0 "[ . 1 . 2]" 5
407 1 79 ILE MG 1 80 GLU HB3 3.650 . 5.500 4.646 3.916 4.890 . 0 0 "[ . 1 . 2]" 5
408 1 45 ILE HA 1 48 VAL MG2 3.650 . 5.500 3.646 3.394 3.812 . 0 0 "[ . 1 . 2]" 5
409 1 67 ALA HA 1 70 LEU HB3 3.150 . 4.500 4.317 4.080 4.511 0.011 10 0 "[ . 1 . 2]" 5
410 1 70 LEU HB3 1 71 GLN HG2 3.650 . 5.500 4.839 4.489 5.193 . 0 0 "[ . 1 . 2]" 5
411 1 35 LEU MD1 1 41 ILE HG13 3.150 . 4.500 3.405 2.888 3.924 . 0 0 "[ . 1 . 2]" 5
412 1 45 ILE MD 1 48 VAL MG2 3.150 . 4.500 4.336 4.052 4.485 . 0 0 "[ . 1 . 2]" 5
413 1 89 THR HB 1 90 ILE MG 3.650 . 5.500 3.040 2.706 3.223 . 0 0 "[ . 1 . 2]" 5
414 1 90 ILE HA 1 90 ILE MG 3.150 . 3.500 2.296 2.232 2.351 . 0 0 "[ . 1 . 2]" 5
415 1 19 VAL HB 1 24 VAL MG2 3.150 . 4.500 2.629 2.152 3.377 . 0 0 "[ . 1 . 2]" 5
416 1 10 VAL MG2 1 14 GLN HG3 3.650 . 5.500 3.097 2.634 3.426 . 0 0 "[ . 1 . 2]" 5
417 1 77 ILE HG12 1 77 ILE MG 3.150 . 3.500 2.433 2.393 2.519 . 0 0 "[ . 1 . 2]" 5
418 1 19 VAL MG1 1 24 VAL MG2 3.650 . 5.500 3.203 2.640 3.895 . 0 0 "[ . 1 . 2]" 5
419 1 19 VAL MG2 1 24 VAL MG2 3.150 . 4.500 1.894 1.797 1.970 0.003 19 0 "[ . 1 . 2]" 5
420 1 27 ILE HA 1 27 ILE MG 3.150 . 3.500 2.495 2.469 2.517 . 0 0 "[ . 1 . 2]" 5
421 1 21 PHE HA 1 90 ILE MD 3.150 . 4.500 2.260 1.860 2.707 . 0 0 "[ . 1 . 2]" 5
422 1 21 PHE HB3 1 90 ILE MD 3.650 . 5.500 4.353 4.040 4.671 . 0 0 "[ . 1 . 2]" 5
423 1 46 ILE HA 1 46 ILE MG 3.150 . 3.500 2.443 2.392 2.496 . 0 0 "[ . 1 . 2]" 5
424 1 53 LEU MD1 1 57 ARG QD 3.650 . 5.500 4.562 3.125 5.516 0.016 11 0 "[ . 1 . 2]" 5
425 1 74 TYR HB2 1 79 ILE MD 3.150 . 4.500 2.790 2.316 3.176 . 0 0 "[ . 1 . 2]" 5
426 1 74 TYR HB3 1 79 ILE MD 3.150 . 4.500 3.141 2.794 3.652 . 0 0 "[ . 1 . 2]" 5
427 1 23 LEU MD2 1 55 GLU HG2 3.650 . 5.500 2.188 1.938 3.207 . 0 0 "[ . 1 . 2]" 5
428 1 84 GLN QG 1 87 LEU MD2 3.900 . 6.000 5.982 5.823 6.072 0.072 19 0 "[ . 1 . 2]" 5
429 1 31 ILE MD 1 32 GLU HB2 3.650 . 5.500 4.413 4.256 4.589 . 0 0 "[ . 1 . 2]" 5
430 1 87 LEU HB2 1 87 LEU MD2 3.150 . 4.500 3.190 3.176 3.205 . 0 0 "[ . 1 . 2]" 5
431 1 28 LEU HB3 1 28 LEU MD1 3.150 . 3.500 2.435 2.375 3.137 . 0 0 "[ . 1 . 2]" 5
432 1 23 LEU MD2 1 55 GLU HG3 3.650 . 5.500 3.274 1.987 3.619 . 0 0 "[ . 1 . 2]" 5
433 1 25 MET HB3 1 87 LEU MD2 3.650 . 5.500 3.670 3.346 3.849 . 0 0 "[ . 1 . 2]" 5
434 1 25 MET QG 1 87 LEU MD2 3.150 . 4.500 3.107 2.842 3.453 . 0 0 "[ . 1 . 2]" 5
435 1 79 ILE MD 1 79 ILE MG 3.150 . 4.500 3.260 3.229 3.273 . 0 0 "[ . 1 . 2]" 5
436 1 43 THR HB 1 46 ILE MD 3.650 . 5.500 4.630 4.454 4.823 . 0 0 "[ . 1 . 2]" 5
437 1 70 LEU HB3 1 70 LEU MD1 . . 2.800 2.434 2.412 2.454 . 0 0 "[ . 1 . 2]" 5
438 1 4 LEU HB3 1 4 LEU MD1 3.150 . 4.500 2.386 2.352 2.431 . 0 0 "[ . 1 . 2]" 5
439 1 35 LEU HA 1 35 LEU MD1 3.150 . 4.500 2.356 2.116 3.900 . 0 0 "[ . 1 . 2]" 5
440 1 12 LEU HB2 1 12 LEU MD1 . . 2.800 2.280 2.242 2.316 . 0 0 "[ . 1 . 2]" 5
441 1 77 ILE HB 1 77 ILE MD 3.150 . 3.500 2.468 2.438 2.536 . 0 0 "[ . 1 . 2]" 5
442 1 77 ILE MD 1 81 ASN HB3 3.650 . 4.500 2.273 2.145 2.418 . 0 0 "[ . 1 . 2]" 5
443 1 12 LEU MD1 1 65 MET HG3 3.650 . 5.500 5.501 5.331 5.547 0.047 4 0 "[ . 1 . 2]" 5
444 1 12 LEU MD1 1 65 MET HG2 3.650 . 5.500 5.411 5.225 5.523 0.023 3 0 "[ . 1 . 2]" 5
445 1 77 ILE MD 1 82 VAL HB 3.650 . 5.500 4.653 4.535 4.737 . 0 0 "[ . 1 . 2]" 5
446 1 77 ILE MD 1 82 VAL MG2 3.650 . 5.500 2.179 2.051 2.288 . 0 0 "[ . 1 . 2]" 5
447 1 85 LEU MD2 1 88 THR HB 3.650 . 5.500 3.487 3.090 3.840 . 0 0 "[ . 1 . 2]" 5
448 1 53 LEU HA 1 56 ILE HG12 3.150 . 4.500 3.024 2.708 3.349 . 0 0 "[ . 1 . 2]" 5
449 1 85 LEU HB3 1 85 LEU MD1 3.150 . 3.500 2.382 2.342 2.442 . 0 0 "[ . 1 . 2]" 5
450 1 45 ILE HG13 1 45 ILE MG 3.150 . 4.500 2.346 2.323 2.386 . 0 0 "[ . 1 . 2]" 5
451 1 4 LEU HB2 1 4 LEU MD2 3.150 . 4.500 3.198 3.180 3.218 . 0 0 "[ . 1 . 2]" 5
452 1 4 LEU HB3 1 4 LEU MD2 3.150 . 4.500 2.361 2.286 2.412 . 0 0 "[ . 1 . 2]" 5
453 1 53 LEU HA 1 56 ILE MG 3.650 . 5.500 3.751 3.514 4.067 . 0 0 "[ . 1 . 2]" 5
454 1 9 PHE HB2 1 69 ILE MD 3.650 . 5.500 2.350 2.114 2.676 . 0 0 "[ . 1 . 2]" 5
455 1 84 GLN QG 1 87 LEU MD1 3.650 . 5.500 3.661 3.457 4.194 . 0 0 "[ . 1 . 2]" 5
456 1 69 ILE HA 1 69 ILE MD 3.650 . 5.500 3.828 3.796 3.873 . 0 0 "[ . 1 . 2]" 5
457 1 9 PHE HA 1 69 ILE MD 3.650 . 5.500 2.427 2.182 2.609 . 0 0 "[ . 1 . 2]" 5
458 1 56 ILE HA 1 56 ILE MG 3.150 . 3.500 2.422 2.389 2.455 . 0 0 "[ . 1 . 2]" 5
459 1 56 ILE MG 1 60 LYS HA 3.650 . 5.500 3.348 2.987 3.564 . 0 0 "[ . 1 . 2]" 5
460 1 87 LEU HA 1 87 LEU MD1 3.150 . 4.500 3.843 3.817 3.865 . 0 0 "[ . 1 . 2]" 5
461 1 12 LEU HB2 1 69 ILE MD 3.650 . 5.500 4.133 3.883 4.290 . 0 0 "[ . 1 . 2]" 5
462 1 12 LEU HB3 1 69 ILE MD 3.650 . 5.500 4.810 4.684 4.956 . 0 0 "[ . 1 . 2]" 5
463 1 56 ILE MG 1 63 TYR HB3 3.650 . 5.500 2.671 2.457 3.135 . 0 0 "[ . 1 . 2]" 5
464 1 56 ILE MG 1 60 LYS HB3 3.650 . 5.500 4.019 3.403 4.480 . 0 0 "[ . 1 . 2]" 5
465 1 25 MET HB2 1 87 LEU MD1 3.650 . 5.500 3.062 2.373 3.381 . 0 0 "[ . 1 . 2]" 5
466 1 65 MET HB3 1 69 ILE MD 3.650 . 5.500 2.995 2.822 3.067 . 0 0 "[ . 1 . 2]" 5
467 1 25 MET HB3 1 87 LEU MD1 3.650 . 4.500 4.332 3.755 4.521 0.021 12 0 "[ . 1 . 2]" 5
468 1 65 MET HG3 1 69 ILE MD 3.650 . 5.500 5.508 5.346 5.570 0.070 13 0 "[ . 1 . 2]" 5
469 1 65 MET HG2 1 69 ILE MD 3.650 . 5.500 4.785 4.519 4.939 . 0 0 "[ . 1 . 2]" 5
470 1 41 ILE MD 1 82 VAL HB 3.650 . 5.500 5.126 4.780 5.318 . 0 0 "[ . 1 . 2]" 5
471 1 8 GLU HB2 1 69 ILE MD 3.650 . 5.500 2.071 1.917 2.312 . 0 0 "[ . 1 . 2]" 5
472 1 41 ILE MD 1 79 ILE HG13 3.650 . 5.500 4.314 4.075 4.786 . 0 0 "[ . 1 . 2]" 5
473 1 56 ILE MG 1 60 LYS QG 3.650 . 5.500 5.382 5.026 5.594 0.094 16 0 "[ . 1 . 2]" 5
474 1 69 ILE MD 1 69 ILE MG 3.150 . 4.500 1.962 1.899 2.030 . 0 0 "[ . 1 . 2]" 5
475 1 56 ILE MD 1 56 ILE MG 3.150 . 4.500 2.105 2.071 2.146 . 0 0 "[ . 1 . 2]" 5
476 1 66 ILE HA 1 66 ILE MD 3.150 . 4.500 4.168 4.152 4.188 . 0 0 "[ . 1 . 2]" 5
477 1 41 ILE HA 1 41 ILE MD 3.150 . 4.500 3.834 3.775 3.886 . 0 0 "[ . 1 . 2]" 5
478 1 23 LEU HA 1 27 ILE MD 3.650 . 5.500 4.659 4.504 4.873 . 0 0 "[ . 1 . 2]" 5
479 1 41 ILE MD 1 67 ALA HA 3.650 . 5.500 4.911 4.501 5.181 . 0 0 "[ . 1 . 2]" 5
480 1 41 ILE MD 1 70 LEU HB3 3.650 . 5.500 2.140 1.912 2.510 . 0 0 "[ . 1 . 2]" 5
481 1 19 VAL MG2 1 59 ASN HB2 3.650 . 5.500 4.816 3.869 5.300 . 0 0 "[ . 1 . 2]" 5
482 1 31 ILE HB 1 41 ILE MD 3.650 . 5.500 4.031 3.677 4.394 . 0 0 "[ . 1 . 2]" 5
483 1 27 ILE HB 1 27 ILE MD 3.150 . 4.500 3.253 3.234 3.266 . 0 0 "[ . 1 . 2]" 5
484 1 27 ILE MD 1 55 GLU HG2 3.650 . 5.500 4.367 3.067 5.201 . 0 0 "[ . 1 . 2]" 5
485 1 26 GLN HG3 1 27 ILE MD 3.650 . 5.500 5.323 5.091 5.504 0.004 7 0 "[ . 1 . 2]" 5
486 1 24 VAL HB 1 87 LEU MD1 3.650 . 5.500 5.442 5.100 5.543 0.043 1 0 "[ . 1 . 2]" 5
487 1 41 ILE MD 1 79 ILE HG12 3.650 . 5.500 3.296 2.988 3.858 . 0 0 "[ . 1 . 2]" 5
488 1 27 ILE MD 1 52 HIS HB2 3.650 . 5.500 2.624 2.204 3.265 . 0 0 "[ . 1 . 2]" 5
489 1 23 LEU MD1 1 27 ILE MD . . 3.500 2.760 2.452 3.017 . 0 0 "[ . 1 . 2]" 5
490 1 19 VAL MG2 1 90 ILE MG 3.650 . 5.500 2.720 1.994 3.587 . 0 0 "[ . 1 . 2]" 5
491 1 66 ILE MD 1 86 ILE MG 3.150 . 4.500 2.778 2.491 3.035 . 0 0 "[ . 1 . 2]" 5
492 1 31 ILE MG 1 41 ILE MD 3.650 . 5.500 4.403 4.059 4.691 . 0 0 "[ . 1 . 2]" 5
493 1 27 ILE MD 1 27 ILE MG 3.150 . 4.500 2.060 2.002 2.093 . 0 0 "[ . 1 . 2]" 5
494 1 41 ILE MD 1 45 ILE MD 3.650 . 5.500 3.095 2.796 3.295 . 0 0 "[ . 1 . 2]" 5
495 1 41 ILE MD 1 79 ILE MD 3.150 . 4.500 1.996 1.806 2.277 . 0 0 "[ . 1 . 2]" 5
496 1 66 ILE MD 1 66 ILE MG 3.150 . 3.500 1.972 1.934 2.032 . 0 0 "[ . 1 . 2]" 5
497 1 24 VAL HA 1 27 ILE HG13 3.150 . 4.500 2.795 2.606 3.074 . 0 0 "[ . 1 . 2]" 5
498 1 19 VAL HA 1 19 VAL MG1 3.150 . 3.500 2.354 2.290 2.493 . 0 0 "[ . 1 . 2]" 5
499 1 18 LYS HB3 1 19 VAL MG1 3.650 . 5.500 4.359 3.736 5.158 . 0 0 "[ . 1 . 2]" 5
500 1 24 VAL MG1 1 27 ILE HG13 3.650 . 5.500 4.085 3.850 4.409 . 0 0 "[ . 1 . 2]" 5
501 1 45 ILE MD 1 45 ILE MG 3.150 . 3.500 2.051 2.020 2.075 . 0 0 "[ . 1 . 2]" 5
502 1 31 ILE MD 1 45 ILE MG 3.650 . 5.500 4.542 4.404 4.762 . 0 0 "[ . 1 . 2]" 5
503 1 12 LEU MD1 1 62 PHE QD 3.650 . 5.500 4.101 3.792 4.698 . 0 0 "[ . 1 . 2]" 5
504 1 56 ILE HA 1 56 ILE MD 3.150 . 3.500 2.140 2.107 2.188 . 0 0 "[ . 1 . 2]" 5
505 1 49 TYR HA 1 56 ILE MD 3.650 . 5.500 2.564 2.338 2.758 . 0 0 "[ . 1 . 2]" 5
506 1 53 LEU HA 1 56 ILE MD 3.650 . 5.500 4.426 4.155 4.704 . 0 0 "[ . 1 . 2]" 5
507 1 52 HIS HB3 1 56 ILE MD 3.650 . 5.500 3.807 3.086 4.149 . 0 0 "[ . 1 . 2]" 5
508 1 27 ILE MG 1 56 ILE MD 3.650 . 5.500 3.183 2.872 3.426 . 0 0 "[ . 1 . 2]" 5
509 1 41 ILE MD 1 71 GLN HB3 3.150 . 4.500 4.007 3.527 4.513 0.013 18 0 "[ . 1 . 2]" 5
510 1 27 ILE MD 1 56 ILE MD 3.650 . 5.500 2.561 2.219 2.969 . 0 0 "[ . 1 . 2]" 5
511 1 27 ILE MD 1 48 VAL MG1 3.650 . 5.500 2.113 1.964 2.391 . 0 0 "[ . 1 . 2]" 5
512 1 18 LYS H 1 18 LYS HD3 3.150 . 4.500 3.670 1.961 4.608 0.108 7 0 "[ . 1 . 2]" 5
513 1 32 GLU H 1 79 ILE MG 3.650 . 5.500 5.230 4.927 5.530 0.030 2 0 "[ . 1 . 2]" 5
514 1 12 LEU MD1 1 66 ILE H 3.650 . 5.500 3.669 3.429 3.966 . 0 0 "[ . 1 . 2]" 5
515 1 74 TYR QD 1 75 LYS HA 3.650 . 5.500 4.108 3.927 4.204 . 0 0 "[ . 1 . 2]" 5
516 1 21 PHE QD 1 91 LYS QD 3.650 . 5.500 3.186 2.725 3.646 . 0 0 "[ . 1 . 2]" 5
517 1 35 LEU MD1 1 36 ARG H 3.650 . 5.500 4.387 3.953 4.668 . 0 0 "[ . 1 . 2]" 5
518 1 9 PHE QD 1 69 ILE MD 3.650 . 5.500 2.595 2.315 2.909 . 0 0 "[ . 1 . 2]" 5
519 1 41 ILE MG 1 43 THR H 3.650 . 5.500 4.427 4.263 4.661 . 0 0 "[ . 1 . 2]" 5
520 1 41 ILE HG13 1 44 SER HB2 3.150 . 4.500 3.104 2.775 3.502 . 0 0 "[ . 1 . 2]" 5
521 1 52 HIS HB2 1 56 ILE MD 3.650 . 5.500 3.042 2.633 3.232 . 0 0 "[ . 1 . 2]" 5
522 1 41 ILE MD 1 45 ILE HG12 3.150 . 4.500 3.891 3.694 3.996 . 0 0 "[ . 1 . 2]" 5
523 1 24 VAL HB 1 25 MET HA 3.150 . 4.500 4.239 4.131 4.372 . 0 0 "[ . 1 . 2]" 5
524 1 3 ILE MG 1 85 LEU HB3 3.150 . 4.500 3.055 2.219 4.506 0.006 20 0 "[ . 1 . 2]" 5
525 1 56 ILE HA 1 56 ILE HG12 3.150 . 4.500 3.275 3.170 3.355 . 0 0 "[ . 1 . 2]" 5
526 1 66 ILE HB 1 66 ILE MD 3.150 . 3.500 2.330 2.296 2.376 . 0 0 "[ . 1 . 2]" 5
527 1 86 ILE MD 1 87 LEU H 3.650 . 5.500 4.667 4.633 4.702 . 0 0 "[ . 1 . 2]" 5
528 1 31 ILE MD 1 45 ILE H 3.650 . 5.500 4.876 4.485 5.127 . 0 0 "[ . 1 . 2]" 5
529 1 19 VAL HB 1 62 PHE QE 3.650 . 5.500 4.562 4.083 5.218 . 0 0 "[ . 1 . 2]" 5
530 1 19 VAL H 1 19 VAL HB 3.150 . 4.500 3.712 3.586 3.915 . 0 0 "[ . 1 . 2]" 5
531 1 46 ILE MD 1 47 TYR H 3.650 . 5.500 4.592 4.413 4.675 . 0 0 "[ . 1 . 2]" 5
532 1 72 ARG HB2 1 73 TYR QE 3.650 . 5.500 5.033 4.737 5.447 . 0 0 "[ . 1 . 2]" 5
533 1 72 ARG HB2 1 73 TYR QD 3.650 . 5.500 4.155 3.883 4.487 . 0 0 "[ . 1 . 2]" 5
534 1 48 VAL MG2 1 51 SER HB3 3.650 . 5.500 4.616 4.373 4.977 . 0 0 "[ . 1 . 2]" 5
535 1 48 VAL MG1 1 51 SER HB3 3.650 . 5.500 4.029 3.684 4.410 . 0 0 "[ . 1 . 2]" 5
536 1 55 GLU H 1 55 GLU HG2 3.650 . 5.500 4.562 3.751 4.701 . 0 0 "[ . 1 . 2]" 5
537 1 55 GLU HA 1 55 GLU HG3 3.150 . 4.500 2.941 2.441 3.188 . 0 0 "[ . 1 . 2]" 5
538 1 35 LEU HB2 1 36 ARG H 3.150 . 4.500 3.869 3.398 4.133 . 0 0 "[ . 1 . 2]" 5
539 1 70 LEU HB2 1 71 GLN H 3.150 . 4.500 2.518 2.436 2.594 . 0 0 "[ . 1 . 2]" 5
540 1 4 LEU HA 1 9 PHE HB3 3.650 . 5.500 3.709 3.354 4.061 . 0 0 "[ . 1 . 2]" 5
541 1 72 ARG HD3 1 73 TYR QD 3.650 . 5.500 3.778 2.951 4.788 . 0 0 "[ . 1 . 2]" 5
542 1 48 VAL HA 1 49 TYR H 3.650 . 5.500 3.546 3.530 3.566 . 0 0 "[ . 1 . 2]" 5
543 1 45 ILE HA 1 48 VAL H 3.650 . 5.500 3.930 3.789 4.071 . 0 0 "[ . 1 . 2]" 5
544 1 7 PRO HA 1 11 LYS H 3.150 . 4.500 4.383 4.176 4.580 0.080 11 0 "[ . 1 . 2]" 5
545 1 27 ILE MG 1 49 TYR QD 3.650 . 5.500 3.236 3.020 3.582 . 0 0 "[ . 1 . 2]" 5
546 1 46 ILE MG 1 50 SER H 3.650 . 5.500 4.150 3.878 4.417 . 0 0 "[ . 1 . 2]" 5
547 1 13 ARG QG 1 89 THR HA 3.650 . 5.500 4.072 2.578 5.286 . 0 0 "[ . 1 . 2]" 5
548 1 88 THR HA 1 89 THR H 3.150 . 4.500 3.494 3.466 3.535 . 0 0 "[ . 1 . 2]" 5
549 1 45 ILE HA 1 45 ILE HG13 3.150 . 4.500 3.779 3.761 3.802 . 0 0 "[ . 1 . 2]" 5
550 1 43 THR HA 1 45 ILE H 3.650 . 5.500 4.328 4.250 4.445 . 0 0 "[ . 1 . 2]" 5
551 1 27 ILE HA 1 28 LEU HA 3.650 . 5.500 4.807 4.598 4.856 . 0 0 "[ . 1 . 2]" 5
552 1 27 ILE HA 1 30 GLU QG 3.650 . 5.500 4.602 2.356 5.107 . 0 0 "[ . 1 . 2]" 5
553 1 42 LYS QE 1 43 THR HA 3.650 . 5.500 4.794 3.291 5.554 0.054 6 0 "[ . 1 . 2]" 5
554 1 46 ILE HA 1 49 TYR H 3.650 . 5.500 3.862 3.633 4.029 . 0 0 "[ . 1 . 2]" 5
555 1 8 GLU HB2 1 69 ILE HA 3.650 . 5.500 5.179 4.645 5.508 0.008 4 0 "[ . 1 . 2]" 5
556 1 6 ASP HA 1 7 PRO HA 3.650 . 5.500 4.481 4.437 4.531 . 0 0 "[ . 1 . 2]" 5
557 1 3 ILE HA 1 73 TYR QE 3.650 . 5.500 3.025 1.967 5.522 0.022 20 0 "[ . 1 . 2]" 5
558 1 62 PHE QD 1 63 TYR HA 3.650 . 5.500 3.326 2.987 3.593 . 0 0 "[ . 1 . 2]" 5
559 1 79 ILE HA 1 79 ILE HG13 3.150 . 4.500 3.100 3.032 3.201 . 0 0 "[ . 1 . 2]" 5
560 1 41 ILE MD 1 79 ILE HA 3.650 . 5.500 4.275 3.872 4.588 . 0 0 "[ . 1 . 2]" 5
561 1 79 ILE HA 1 83 ASN H 3.150 . 4.500 3.824 3.632 3.935 . 0 0 "[ . 1 . 2]" 5
562 1 79 ILE HA 1 80 GLU H 3.650 . 5.500 3.512 3.481 3.555 . 0 0 "[ . 1 . 2]" 5
563 1 56 ILE HA 1 60 LYS H 3.650 . 5.500 5.342 5.077 5.519 0.019 2 0 "[ . 1 . 2]" 5
564 1 41 ILE HA 1 45 ILE H 3.650 . 5.500 3.970 3.849 4.078 . 0 0 "[ . 1 . 2]" 5
565 1 56 ILE HA 1 63 TYR HB2 3.650 . 5.500 3.195 2.965 3.475 . 0 0 "[ . 1 . 2]" 5
566 1 56 ILE HA 1 60 LYS HA 3.650 . 4.500 4.083 3.783 4.268 . 0 0 "[ . 1 . 2]" 5
567 1 9 PHE HA 1 12 LEU MD1 3.150 . 4.500 2.100 1.960 2.306 . 0 0 "[ . 1 . 2]" 5
568 1 89 THR MG 1 90 ILE HA 3.650 . 5.500 3.618 3.245 4.145 . 0 0 "[ . 1 . 2]" 5
569 1 60 LYS HA 1 61 GLU H 3.150 . 4.500 3.480 3.352 3.546 . 0 0 "[ . 1 . 2]" 5
570 1 60 LYS HA 1 64 ASP H 3.650 . 5.500 3.730 3.441 3.982 . 0 0 "[ . 1 . 2]" 5
571 1 62 PHE HA 1 62 PHE QE 3.650 . 5.500 4.686 4.614 4.750 . 0 0 "[ . 1 . 2]" 5
572 1 62 PHE HA 1 65 MET HG3 3.650 . 5.500 4.340 4.001 4.692 . 0 0 "[ . 1 . 2]" 5
573 1 32 GLU HA 1 79 ILE MD 3.150 . 4.500 4.273 3.843 4.525 0.025 2 0 "[ . 1 . 2]" 5
574 1 62 PHE HA 1 66 ILE MG 3.650 . 5.500 3.718 3.452 3.965 . 0 0 "[ . 1 . 2]" 5
575 1 41 ILE MD 1 71 GLN HA 3.650 . 5.500 2.193 1.877 2.632 . 0 0 "[ . 1 . 2]" 5
576 1 70 LEU HA 1 70 LEU MD2 3.150 . 4.500 2.090 2.050 2.117 . 0 0 "[ . 1 . 2]" 5
577 1 29 ASP HA 1 30 GLU H 3.150 . 4.500 3.477 3.443 3.507 . 0 0 "[ . 1 . 2]" 5
578 1 77 ILE MD 1 81 ASN HA 3.150 . 4.500 4.416 4.234 4.511 0.011 6 0 "[ . 1 . 2]" 5
579 1 3 ILE HG13 1 4 LEU HA 3.650 . 5.500 5.005 4.002 5.552 0.052 11 0 "[ . 1 . 2]" 5
580 1 59 ASN HA 1 63 TYR QE 3.650 . 5.500 5.187 4.662 5.498 . 0 0 "[ . 1 . 2]" 5
581 1 59 ASN HA 1 63 TYR QD 3.650 . 5.500 4.517 4.236 4.887 . 0 0 "[ . 1 . 2]" 5
582 1 59 ASN HA 1 60 LYS QG 3.650 . 5.500 4.232 3.640 5.273 . 0 0 "[ . 1 . 2]" 5
583 1 58 LYS HA 1 59 ASN HA 3.650 . 5.500 4.507 4.426 4.643 . 0 0 "[ . 1 . 2]" 5
584 1 6 ASP HB3 1 7 PRO HD3 3.650 . 5.500 4.587 4.494 4.707 . 0 0 "[ . 1 . 2]" 5
585 1 6 ASP HB3 1 7 PRO HD2 3.150 . 4.500 4.429 4.170 4.547 0.047 12 0 "[ . 1 . 2]" 5
586 1 7 PRO HA 1 7 PRO HD3 3.150 . 4.500 3.810 3.661 3.913 . 0 0 "[ . 1 . 2]" 5
587 1 78 GLY HA2 1 81 ASN H 3.650 . 5.500 4.811 4.669 4.950 . 0 0 "[ . 1 . 2]" 5
588 1 78 GLY HA2 1 79 ILE MG 3.650 . 5.500 3.993 3.852 4.107 . 0 0 "[ . 1 . 2]" 5
589 1 72 ARG HD2 1 73 TYR QD 3.650 . 5.500 3.756 2.889 4.726 . 0 0 "[ . 1 . 2]" 5
590 1 9 PHE QE 1 13 ARG QD 3.650 . 5.500 3.445 2.144 4.765 . 0 0 "[ . 1 . 2]" 5
591 1 34 ASP HB2 1 35 LEU H 3.650 . 5.500 3.786 3.704 3.881 . 0 0 "[ . 1 . 2]" 5
592 1 34 ASP HB3 1 35 LEU H 3.650 . 5.500 2.476 2.357 2.663 . 0 0 "[ . 1 . 2]" 5
593 1 31 ILE HA 1 34 ASP HB2 3.650 . 5.500 3.779 3.541 4.244 . 0 0 "[ . 1 . 2]" 5
594 1 33 LEU HG 1 34 ASP HB3 3.650 . 5.500 4.955 4.678 5.271 . 0 0 "[ . 1 . 2]" 5
595 1 34 ASP HB3 1 48 VAL MG2 3.650 . 5.500 4.341 4.121 4.656 . 0 0 "[ . 1 . 2]" 5
596 1 12 LEU HB3 1 89 THR MG 3.650 . 5.500 2.335 1.976 2.922 . 0 0 "[ . 1 . 2]" 5
597 1 9 PHE QE 1 85 LEU HB2 3.650 . 5.500 3.854 2.946 4.460 . 0 0 "[ . 1 . 2]" 5
598 1 85 LEU HB2 1 86 ILE H 3.150 . 4.500 2.780 2.629 2.991 . 0 0 "[ . 1 . 2]" 5
599 1 82 VAL MG1 1 85 LEU HB2 3.650 . 5.500 3.446 3.119 3.648 . 0 0 "[ . 1 . 2]" 5
600 1 12 LEU HB2 1 89 THR MG . . 2.800 2.451 2.229 2.854 0.054 9 0 "[ . 1 . 2]" 5
601 1 20 ASN HD21 1 23 LEU HB3 3.650 . 5.500 4.651 3.678 5.512 0.012 12 0 "[ . 1 . 2]" 5
602 1 6 ASP HB2 1 9 PHE H 3.650 . 5.500 4.300 3.917 4.788 . 0 0 "[ . 1 . 2]" 5
603 1 21 PHE QE 1 87 LEU HB2 3.650 . 5.500 3.844 3.564 4.372 . 0 0 "[ . 1 . 2]" 5
604 1 21 PHE HZ 1 87 LEU HB3 3.650 . 5.500 3.233 2.622 4.109 . 0 0 "[ . 1 . 2]" 5
605 1 3 ILE MD 1 6 ASP HB3 3.650 . 5.500 4.478 3.706 5.095 . 0 0 "[ . 1 . 2]" 5
606 1 28 LEU MD1 1 29 ASP HB2 3.650 . 5.500 5.367 2.947 5.536 0.036 4 0 "[ . 1 . 2]" 5
607 1 6 ASP HB2 1 7 PRO HD3 3.650 . 5.500 4.329 4.118 4.462 . 0 0 "[ . 1 . 2]" 5
608 1 60 LYS QG 1 64 ASP HB2 3.650 . 5.500 4.963 4.368 5.497 . 0 0 "[ . 1 . 2]" 5
609 1 59 ASN HB2 1 62 PHE QD 3.650 . 5.500 3.725 3.221 4.040 . 0 0 "[ . 1 . 2]" 5
610 1 59 ASN HB3 1 62 PHE QD 3.650 . 5.500 3.737 3.313 4.082 . 0 0 "[ . 1 . 2]" 5
611 1 40 ASN HB2 1 43 THR MG 3.650 . 5.500 4.357 3.635 4.951 . 0 0 "[ . 1 . 2]" 5
612 1 46 ILE MG 1 47 TYR HB3 3.650 . 5.500 5.194 5.023 5.345 . 0 0 "[ . 1 . 2]" 5
613 1 44 SER HA 1 47 TYR HB3 3.650 . 5.500 5.164 4.776 5.373 . 0 0 "[ . 1 . 2]" 5
614 1 62 PHE H 1 62 PHE HB2 3.150 . 4.500 2.594 2.507 2.695 . 0 0 "[ . 1 . 2]" 5
615 1 62 PHE HB2 1 63 TYR H 3.650 . 5.500 3.785 3.693 3.860 . 0 0 "[ . 1 . 2]" 5
616 1 77 ILE HG12 1 81 ASN HB3 3.650 . 5.500 4.639 3.646 4.868 . 0 0 "[ . 1 . 2]" 5
617 1 3 ILE HB 1 73 TYR QE 3.650 . 5.500 3.980 2.621 5.004 . 0 0 "[ . 1 . 2]" 5
618 1 49 TYR QE 1 63 TYR HB3 3.650 . 5.500 2.491 2.066 3.164 . 0 0 "[ . 1 . 2]" 5
619 1 8 GLU HG2 1 69 ILE MD 3.650 . 5.500 4.279 4.120 4.589 . 0 0 "[ . 1 . 2]" 5
620 1 30 GLU QG 1 48 VAL MG1 3.650 . 5.500 3.207 1.959 3.660 . 0 0 "[ . 1 . 2]" 5
621 1 30 GLU QG 1 48 VAL HA 3.650 . 5.500 3.968 3.154 4.449 . 0 0 "[ . 1 . 2]" 5
622 1 66 ILE HB 1 69 ILE H 3.650 . 5.500 5.138 4.982 5.280 . 0 0 "[ . 1 . 2]" 5
623 1 71 GLN HG3 1 72 ARG H 3.650 . 5.500 3.954 3.667 4.188 . 0 0 "[ . 1 . 2]" 5
624 1 74 TYR HB2 1 79 ILE HB 3.150 . 4.500 2.089 1.917 2.297 . 0 0 "[ . 1 . 2]" 5
625 1 74 TYR HB3 1 79 ILE HB 3.150 . 4.500 3.546 3.286 3.861 . 0 0 "[ . 1 . 2]" 5
626 1 29 ASP HA 1 32 GLU HG2 3.150 . 4.500 4.522 4.385 4.575 0.075 6 0 "[ . 1 . 2]" 5
627 1 55 GLU HG3 1 56 ILE H 3.150 . 4.500 4.190 3.696 4.567 0.067 14 0 "[ . 1 . 2]" 5
628 1 19 VAL HB 1 23 LEU MD2 3.650 . 5.500 4.554 2.445 5.540 0.040 1 0 "[ . 1 . 2]" 5
629 1 26 GLN HG2 1 30 GLU H 3.650 . 5.500 4.142 3.852 4.316 . 0 0 "[ . 1 . 2]" 5
630 1 26 GLN HG3 1 30 GLU H 3.650 . 5.500 4.412 4.269 4.599 . 0 0 "[ . 1 . 2]" 5
631 1 26 GLN HG3 1 29 ASP H 3.650 . 5.500 5.328 5.089 5.530 0.030 17 0 "[ . 1 . 2]" 5
632 1 57 ARG HA 1 60 LYS HB2 3.150 . 4.500 4.056 3.456 4.505 0.005 8 0 "[ . 1 . 2]" 5
633 1 6 ASP HA 1 7 PRO HB2 3.900 . 6.000 5.162 4.961 5.277 . 0 0 "[ . 1 . 2]" 5
634 1 6 ASP HA 1 7 PRO HB3 3.650 . 5.500 5.422 5.352 5.464 . 0 0 "[ . 1 . 2]" 5
635 1 75 LYS HB3 1 75 LYS QE 3.650 . 5.500 3.473 1.894 4.229 . 0 0 "[ . 1 . 2]" 5
636 1 65 MET HG3 1 66 ILE H 3.650 . 5.500 4.498 4.306 4.601 . 0 0 "[ . 1 . 2]" 5
637 1 64 ASP H 1 65 MET HG3 3.650 . 5.500 4.535 4.113 4.803 . 0 0 "[ . 1 . 2]" 5
638 1 72 ARG HB3 1 72 ARG HD2 3.650 . 5.500 2.669 2.369 3.086 . 0 0 "[ . 1 . 2]" 5
639 1 69 ILE HA 1 72 ARG HB3 . . 3.500 2.334 2.047 2.695 . 0 0 "[ . 1 . 2]" 5
640 1 31 ILE HG13 1 41 ILE HG13 3.150 . 4.500 4.289 3.921 4.517 0.017 7 0 "[ . 1 . 2]" 5
641 1 32 GLU HA 1 79 ILE HG12 3.650 . 5.500 2.924 2.493 3.369 . 0 0 "[ . 1 . 2]" 5
642 1 72 ARG H 1 72 ARG HG2 3.650 . 5.500 4.334 4.205 4.480 . 0 0 "[ . 1 . 2]" 5
643 1 14 GLN QB 1 15 PHE H 3.150 . 4.500 2.732 2.495 3.014 . 0 0 "[ . 1 . 2]" 5
644 1 66 ILE HG12 1 67 ALA H 3.150 . 4.500 3.078 2.980 3.170 . 0 0 "[ . 1 . 2]" 5
645 1 13 ARG H 1 13 ARG QG 3.150 . 4.500 2.697 1.950 4.098 . 0 0 "[ . 1 . 2]" 5
646 1 6 ASP HA 1 7 PRO HG3 3.150 . 4.500 4.051 3.979 4.122 . 0 0 "[ . 1 . 2]" 5
647 1 62 PHE HZ 1 90 ILE QG 3.650 . 5.500 4.259 3.806 4.772 . 0 0 "[ . 1 . 2]" 5
648 1 35 LEU MD2 1 74 TYR QD 3.650 . 5.500 3.017 2.306 5.038 . 0 0 "[ . 1 . 2]" 5
649 1 77 ILE HG12 1 81 ASN HB2 3.150 . 4.500 4.236 3.968 4.574 0.074 11 0 "[ . 1 . 2]" 5
650 1 73 TYR HB2 1 77 ILE HG12 3.150 . 4.500 4.080 3.872 4.295 . 0 0 "[ . 1 . 2]" 5
651 1 74 TYR QE 1 75 LYS QG 3.150 . 4.500 2.909 2.427 4.233 . 0 0 "[ . 1 . 2]" 5
652 1 87 LEU H 1 87 LEU MD2 3.150 . 4.500 3.270 3.121 3.341 . 0 0 "[ . 1 . 2]" 5
653 1 10 VAL H 1 12 LEU MD1 3.650 . 5.500 5.220 5.103 5.396 . 0 0 "[ . 1 . 2]" 5
654 1 35 LEU MD1 1 40 ASN HB2 3.650 . 5.500 4.980 4.420 5.522 0.022 5 0 "[ . 1 . 2]" 5
655 1 21 PHE QD 1 24 VAL MG2 3.650 . 5.500 4.807 4.413 5.302 . 0 0 "[ . 1 . 2]" 5
656 1 48 VAL MG1 1 50 SER H 3.650 . 5.500 5.039 4.931 5.152 . 0 0 "[ . 1 . 2]" 5
657 1 31 ILE MG 1 48 VAL MG1 3.650 . 5.500 2.544 2.333 2.841 . 0 0 "[ . 1 . 2]" 5
658 1 45 ILE HA 1 48 VAL MG1 3.650 . 5.500 4.421 4.161 4.593 . 0 0 "[ . 1 . 2]" 5
659 1 73 TYR HB3 1 82 VAL MG1 3.150 . 4.500 3.465 3.052 3.784 . 0 0 "[ . 1 . 2]" 5
660 1 4 LEU MD2 1 9 PHE HB3 3.650 . 5.500 4.265 4.012 4.555 . 0 0 "[ . 1 . 2]" 5
661 1 28 LEU H 1 87 LEU MD1 3.900 . 6.000 5.830 5.613 6.024 0.024 15 0 "[ . 1 . 2]" 5
662 1 15 PHE H 1 89 THR MG 3.650 . 5.500 5.181 4.702 5.521 0.021 1 0 "[ . 1 . 2]" 5
663 1 42 LYS QE 1 43 THR MG 3.650 . 5.500 5.061 3.659 5.564 0.064 4 0 "[ . 1 . 2]" 5
664 1 88 THR MG 1 91 LYS H 3.650 . 5.500 4.813 4.429 5.266 . 0 0 "[ . 1 . 2]" 5
665 1 28 LEU MD1 1 83 ASN HB2 3.650 . 5.500 3.812 3.415 3.978 . 0 0 "[ . 1 . 2]" 5
666 1 19 VAL MG1 1 59 ASN HB3 3.650 . 5.500 2.917 2.289 3.464 . 0 0 "[ . 1 . 2]" 5
667 1 18 LYS QE 1 19 VAL MG1 3.650 . 5.500 4.832 3.656 5.508 0.008 2 0 "[ . 1 . 2]" 5
668 1 41 ILE MG 1 71 GLN H 3.150 . 4.500 4.095 3.839 4.318 . 0 0 "[ . 1 . 2]" 5
669 1 41 ILE HA 1 41 ILE MG 3.150 . 3.500 3.212 3.188 3.225 . 0 0 "[ . 1 . 2]" 5
670 1 69 ILE MG 1 72 ARG HB3 3.150 . 4.500 3.656 3.442 3.913 . 0 0 "[ . 1 . 2]" 5
671 1 74 TYR HB2 1 79 ILE MG 3.650 . 5.500 3.607 3.395 3.851 . 0 0 "[ . 1 . 2]" 5
672 1 66 ILE HA 1 69 ILE MG 3.650 . 5.500 3.858 3.607 4.060 . 0 0 "[ . 1 . 2]" 5
673 1 65 MET HA 1 66 ILE MG 3.650 . 5.500 5.112 5.021 5.173 . 0 0 "[ . 1 . 2]" 5
674 1 66 ILE MG 1 89 THR HB 3.650 . 5.500 5.015 4.631 5.401 . 0 0 "[ . 1 . 2]" 5
675 1 19 VAL MG2 1 20 ASN HB3 3.650 . 5.500 5.041 4.594 5.515 0.015 5 0 "[ . 1 . 2]" 5
676 1 66 ILE HA 1 67 ALA MB 3.650 . 5.500 5.005 4.977 5.027 . 0 0 "[ . 1 . 2]" 5
677 1 63 TYR HB2 1 67 ALA MB 3.650 . 5.500 5.311 5.128 5.519 0.019 12 0 "[ . 1 . 2]" 5
678 1 12 LEU MD2 1 65 MET ME 3.650 . 5.500 1.919 1.820 2.316 . 0 0 "[ . 1 . 2]" 5
679 1 31 ILE MG 1 46 ILE H 3.650 . 5.500 4.887 4.710 5.027 . 0 0 "[ . 1 . 2]" 5
680 1 25 MET H 1 25 MET ME 3.650 . 5.500 4.093 3.907 4.332 . 0 0 "[ . 1 . 2]" 5
681 1 46 ILE MG 1 47 TYR HB2 3.650 . 5.500 5.247 5.096 5.386 . 0 0 "[ . 1 . 2]" 5
682 1 24 VAL HA 1 27 ILE MG 3.150 . 4.500 3.840 3.640 4.039 . 0 0 "[ . 1 . 2]" 5
683 1 90 ILE HA 1 90 ILE MD 3.150 . 4.500 4.196 4.157 4.226 . 0 0 "[ . 1 . 2]" 5
684 1 27 ILE MG 1 63 TYR HB3 3.650 . 5.500 4.794 4.366 5.181 . 0 0 "[ . 1 . 2]" 5
685 1 31 ILE HA 1 45 ILE MD 3.650 . 5.500 4.945 4.691 5.234 . 0 0 "[ . 1 . 2]" 5
686 1 45 ILE MD 1 71 GLN HE21 3.650 . 5.500 4.160 3.676 4.796 . 0 0 "[ . 1 . 2]" 5
687 1 31 ILE MD 1 45 ILE HA 3.650 . 5.500 4.023 3.800 4.242 . 0 0 "[ . 1 . 2]" 5
688 1 69 ILE H 1 69 ILE MD 3.150 . 4.500 3.479 3.347 3.614 . 0 0 "[ . 1 . 2]" 5
689 1 63 TYR QE 1 66 ILE MD 3.150 . 4.500 2.905 2.702 3.311 . 0 0 "[ . 1 . 2]" 5
690 1 73 TYR HB2 1 77 ILE MD 3.150 . 4.500 3.898 3.671 4.201 . 0 0 "[ . 1 . 2]" 5
691 1 63 TYR HB3 1 66 ILE MD 3.650 . 5.500 3.873 3.623 4.081 . 0 0 "[ . 1 . 2]" 5
692 1 55 GLU HB3 1 56 ILE MD 3.650 . 5.500 3.400 3.177 3.707 . 0 0 "[ . 1 . 2]" 5
693 1 26 GLN QB 1 27 ILE HA 3.650 . 5.500 4.302 4.168 4.417 . 0 0 "[ . 1 . 2]" 5
694 1 9 PHE QE 1 69 ILE MD 3.650 . 5.500 4.562 4.338 4.840 . 0 0 "[ . 1 . 2]" 5
695 1 19 VAL HB 1 55 GLU HG3 3.650 . 5.500 4.120 2.798 5.625 0.125 9 0 "[ . 1 . 2]" 5
696 1 53 LEU MD2 1 57 ARG H 3.650 . 5.500 4.729 4.440 4.984 . 0 0 "[ . 1 . 2]" 5
697 1 12 LEU HA 1 65 MET ME 2.650 . 3.500 3.218 2.731 3.508 0.008 18 0 "[ . 1 . 2]" 5
698 1 7 PRO HB3 1 8 GLU H 3.150 . 4.500 4.242 4.151 4.324 . 0 0 "[ . 1 . 2]" 5
699 1 61 GLU H 1 61 GLU HB2 2.650 . 3.500 2.569 2.308 3.570 0.070 14 0 "[ . 1 . 2]" 5
700 1 29 ASP H 1 29 ASP HA 2.650 . 3.500 2.847 2.822 2.889 . 0 0 "[ . 1 . 2]" 5
701 1 29 ASP H 1 29 ASP HB2 2.300 . 2.800 2.375 2.300 2.440 . 0 0 "[ . 1 . 2]" 5
702 1 69 ILE H 1 69 ILE HB 2.650 . 3.500 2.500 2.434 2.576 . 0 0 "[ . 1 . 2]" 5
703 1 18 LYS H 1 18 LYS HG2 3.150 . 4.500 4.016 3.492 4.581 0.081 3 0 "[ . 1 . 2]" 5
704 1 72 ARG H 1 72 ARG HB2 2.650 . 3.500 2.229 2.082 2.388 . 0 0 "[ . 1 . 2]" 5
705 1 72 ARG H 1 72 ARG HG3 3.150 . 4.500 4.268 4.174 4.360 . 0 0 "[ . 1 . 2]" 5
706 1 32 GLU H 1 32 GLU HG2 3.150 . 4.500 4.368 4.288 4.422 . 0 0 "[ . 1 . 2]" 5
707 1 32 GLU H 1 32 GLU HG3 3.150 . 4.500 4.427 4.375 4.498 . 0 0 "[ . 1 . 2]" 5
708 1 32 GLU H 1 32 GLU HB2 2.650 . 3.500 2.482 2.391 2.632 . 0 0 "[ . 1 . 2]" 5
709 1 84 GLN HA 1 85 LEU H 3.150 . 4.500 3.544 3.487 3.564 . 0 0 "[ . 1 . 2]" 5
710 1 66 ILE H 1 66 ILE HG12 2.650 . 3.500 2.329 2.271 2.388 . 0 0 "[ . 1 . 2]" 5
711 1 44 SER H 1 44 SER HB3 3.150 . 4.500 3.524 3.479 3.577 . 0 0 "[ . 1 . 2]" 5
712 1 63 TYR H 1 63 TYR HB2 2.650 . 3.500 2.396 2.350 2.473 . 0 0 "[ . 1 . 2]" 5
713 1 42 LYS H 1 42 LYS HG2 2.650 . 3.500 2.408 2.036 3.519 0.019 4 0 "[ . 1 . 2]" 5
714 1 11 LYS H 1 11 LYS QD 3.150 . 4.500 3.936 3.406 4.471 . 0 0 "[ . 1 . 2]" 5
715 1 9 PHE H 1 9 PHE HA 2.650 . 3.500 2.811 2.775 2.852 . 0 0 "[ . 1 . 2]" 5
716 1 65 MET H 1 65 MET HG3 2.650 . 3.500 2.394 2.137 2.486 . 0 0 "[ . 1 . 2]" 5
717 1 81 ASN H 1 81 ASN HB3 3.150 . 4.500 3.543 2.937 3.676 . 0 0 "[ . 1 . 2]" 5
718 1 48 VAL HA 1 51 SER H 3.150 . 4.500 3.497 3.354 3.631 . 0 0 "[ . 1 . 2]" 5
719 1 43 THR H 1 43 THR HA 2.650 . 3.500 2.809 2.762 2.847 . 0 0 "[ . 1 . 2]" 5
720 1 90 ILE MG 1 91 LYS H 3.150 . 4.500 4.113 3.964 4.221 . 0 0 "[ . 1 . 2]" 5
721 1 36 ARG H 1 36 ARG QB 2.650 . 3.500 2.690 2.015 3.430 . 0 0 "[ . 1 . 2]" 5
722 1 5 GLU H 1 5 GLU HG2 2.650 . 3.500 3.293 1.819 3.610 0.110 20 0 "[ . 1 . 2]" 5
723 1 4 LEU H 1 4 LEU HG 2.650 . 3.500 2.510 2.225 2.724 . 0 0 "[ . 1 . 2]" 5
724 1 21 PHE HB3 1 21 PHE QD 3.150 . 4.500 2.338 2.273 2.411 . 0 0 "[ . 1 . 2]" 5
725 1 9 PHE QE 1 86 ILE HA 2.650 . 3.500 3.279 2.992 3.523 0.023 1 0 "[ . 1 . 2]" 5
726 1 62 PHE HZ 1 90 ILE MD 2.650 . 3.500 3.080 2.669 3.446 . 0 0 "[ . 1 . 2]" 5
727 1 33 LEU HA 1 33 LEU HB2 2.300 . 2.800 2.458 2.438 2.482 . 0 0 "[ . 1 . 2]" 5
728 1 59 ASN HA 1 59 ASN HB3 2.650 . 3.500 2.497 2.356 2.572 . 0 0 "[ . 1 . 2]" 5
729 1 6 ASP HA 1 7 PRO HD3 2.300 . 2.800 1.907 1.865 1.951 . 0 0 "[ . 1 . 2]" 5
730 1 6 ASP HA 1 7 PRO HD2 2.300 . 2.800 2.657 2.463 2.791 . 0 0 "[ . 1 . 2]" 5
731 1 77 ILE HA 1 77 ILE HB 2.300 . 2.800 2.491 2.442 2.517 . 0 0 "[ . 1 . 2]" 5
732 1 81 ASN HA 1 81 ASN HB3 2.650 . 3.500 2.583 2.434 2.950 . 0 0 "[ . 1 . 2]" 5
733 1 18 LYS HA 1 18 LYS HG2 3.150 . 4.500 2.983 2.532 3.709 . 0 0 "[ . 1 . 2]" 5
734 1 18 LYS HA 1 18 LYS HB2 2.650 . 3.300 3.018 2.990 3.047 . 0 0 "[ . 1 . 2]" 5
735 1 18 LYS HA 1 18 LYS HB3 2.650 . 2.800 2.510 2.473 2.539 . 0 0 "[ . 1 . 2]" 5
736 1 39 ASP HA 1 39 ASP HB3 2.550 . 3.300 2.848 2.474 3.059 . 0 0 "[ . 1 . 2]" 5
737 1 90 ILE HA 1 90 ILE HB 2.650 . 3.500 2.482 2.448 2.514 . 0 0 "[ . 1 . 2]" 5
738 1 19 VAL HA 1 19 VAL HB 2.300 . 2.800 2.512 2.425 2.573 . 0 0 "[ . 1 . 2]" 5
739 1 51 SER HA 1 51 SER HB2 2.300 . 2.800 2.481 2.410 2.556 . 0 0 "[ . 1 . 2]" 5
740 1 51 SER HA 1 51 SER HB3 2.550 . 3.300 3.031 3.019 3.040 . 0 0 "[ . 1 . 2]" 5
741 1 88 THR HA 1 88 THR HB 2.650 . 3.500 3.033 3.022 3.041 . 0 0 "[ . 1 . 2]" 5
742 1 54 ASP HA 1 54 ASP QB 2.300 . 2.800 2.324 2.175 2.400 . 0 0 "[ . 1 . 2]" 5
743 1 22 ASN HA 1 22 ASN HB3 2.650 . 2.800 2.511 2.432 2.925 0.125 4 0 "[ . 1 . 2]" 5
744 1 5 GLU HA 1 5 GLU HG2 2.800 . 3.800 2.916 2.382 3.774 . 0 0 "[ . 1 . 2]" 5
745 1 5 GLU HA 1 5 GLU HB2 2.650 . 3.500 2.986 2.469 3.025 . 0 0 "[ . 1 . 2]" 5
746 1 7 PRO HA 1 10 VAL MG1 2.650 . 3.500 2.134 1.919 2.367 . 0 0 "[ . 1 . 2]" 5
747 1 22 ASN HA 1 25 MET ME 3.150 . 3.500 2.385 1.993 3.519 0.019 13 0 "[ . 1 . 2]" 5
748 1 58 LYS HA 1 58 LYS QB 2.300 . 2.800 2.397 2.295 2.517 . 0 0 "[ . 1 . 2]" 5
749 1 7 PRO HA 1 7 PRO HB2 2.550 . 3.300 2.928 2.896 2.967 . 0 0 "[ . 1 . 2]" 5
750 1 7 PRO HA 1 10 VAL HB 2.900 . 4.000 3.900 3.536 4.035 0.035 14 0 "[ . 1 . 2]" 5
751 1 58 LYS HA 1 58 LYS QG 2.650 . 2.800 2.567 2.406 2.852 0.052 12 0 "[ . 1 . 2]" 5
752 1 43 THR HA 1 43 THR HB 2.650 . 3.500 3.025 3.013 3.038 . 0 0 "[ . 1 . 2]" 5
753 1 23 LEU HA 1 23 LEU HB3 2.650 . 3.500 3.005 2.982 3.018 . 0 0 "[ . 1 . 2]" 5
754 1 12 LEU HA 1 15 PHE HB2 2.650 . 3.500 2.911 2.109 3.533 0.033 9 0 "[ . 1 . 2]" 5
755 1 47 TYR HA 1 47 TYR HB3 2.650 . 3.500 2.393 2.362 2.409 . 0 0 "[ . 1 . 2]" 5
756 1 23 LEU HA 1 23 LEU MD1 2.650 . 3.500 2.053 2.010 2.113 . 0 0 "[ . 1 . 2]" 5
757 1 14 GLN HA 1 14 GLN HG2 2.300 . 2.800 2.601 2.496 2.682 . 0 0 "[ . 1 . 2]" 5
758 1 65 MET HA 1 65 MET HB3 2.300 . 2.800 2.531 2.478 2.564 . 0 0 "[ . 1 . 2]" 5
759 1 61 GLU HA 1 61 GLU QG 2.650 . 3.500 2.790 2.402 3.520 0.020 14 0 "[ . 1 . 2]" 5
760 1 14 GLN HA 1 14 GLN HG3 2.650 . 3.500 3.008 2.842 3.206 . 0 0 "[ . 1 . 2]" 5
761 1 14 GLN HA 1 14 GLN QB 2.300 . 2.800 2.370 2.350 2.386 . 0 0 "[ . 1 . 2]" 5
762 1 85 LEU HA 1 85 LEU MD2 2.650 . 3.500 2.031 1.997 2.064 . 0 0 "[ . 1 . 2]" 5
763 1 26 GLN HA 1 29 ASP HB2 2.300 . 2.800 2.808 2.705 2.856 0.056 4 0 "[ . 1 . 2]" 5
764 1 26 GLN HA 1 29 ASP HB3 2.650 . 3.500 2.399 2.258 2.611 . 0 0 "[ . 1 . 2]" 5
765 1 84 GLN HA 1 84 GLN QG 2.300 . 2.800 2.535 2.443 2.854 0.054 19 0 "[ . 1 . 2]" 5
766 1 26 GLN HA 1 26 GLN HG3 2.300 . 2.800 2.629 2.517 2.722 . 0 0 "[ . 1 . 2]" 5
767 1 11 LYS HA 1 11 LYS HB3 2.300 . 2.800 2.500 2.459 2.550 . 0 0 "[ . 1 . 2]" 5
768 1 36 ARG HA 1 36 ARG QB 2.650 . 3.500 2.406 2.360 2.510 . 0 0 "[ . 1 . 2]" 5
769 1 84 GLN HA 1 84 GLN QB 2.300 . 2.800 2.463 2.344 2.485 . 0 0 "[ . 1 . 2]" 5
770 1 49 TYR HA 1 56 ILE HG12 2.650 . 3.500 3.190 3.052 3.239 . 0 0 "[ . 1 . 2]" 5
771 1 11 LYS HA 1 11 LYS HG2 2.300 . 2.800 2.559 2.361 2.855 0.055 20 0 "[ . 1 . 2]" 5
772 1 13 ARG QD 1 89 THR HA 2.650 . 3.500 2.913 2.006 3.646 0.146 9 0 "[ . 1 . 2]" 5
773 1 33 LEU HA 1 33 LEU HB3 2.300 . 2.800 2.401 2.372 2.434 . 0 0 "[ . 1 . 2]" 5
774 1 87 LEU HA 1 87 LEU HB2 2.650 . 3.500 3.015 3.006 3.023 . 0 0 "[ . 1 . 2]" 5
775 1 86 ILE HB 1 87 LEU HA 3.150 . 4.500 4.368 4.262 4.451 . 0 0 "[ . 1 . 2]" 5
776 1 30 GLU HA 1 30 GLU QG 2.650 . 3.500 2.416 2.277 3.051 . 0 0 "[ . 1 . 2]" 5
777 1 72 ARG HA 1 72 ARG HB2 2.300 . 2.800 2.450 2.381 2.579 . 0 0 "[ . 1 . 2]" 5
778 1 72 ARG HA 1 72 ARG HB3 2.650 . 3.500 2.990 2.978 3.006 . 0 0 "[ . 1 . 2]" 5
779 1 36 ARG HA 1 36 ARG QG 2.650 . 3.500 2.712 2.275 3.046 . 0 0 "[ . 1 . 2]" 5
780 1 87 LEU HA 1 90 ILE MD 2.650 . 3.500 2.655 2.327 2.907 . 0 0 "[ . 1 . 2]" 5
781 1 70 LEU HA 1 70 LEU HB3 2.650 . 3.500 2.501 2.480 2.522 . 0 0 "[ . 1 . 2]" 5
782 1 70 LEU HA 1 70 LEU HB2 2.650 . 3.500 3.017 3.012 3.024 . 0 0 "[ . 1 . 2]" 5
783 1 91 LYS HA 1 91 LYS QB 2.650 . 2.800 2.399 2.332 2.483 . 0 0 "[ . 1 . 2]" 5
784 1 91 LYS HA 1 91 LYS QG 3.150 . 4.500 2.609 2.307 2.949 . 0 0 "[ . 1 . 2]" 5
785 1 45 ILE MD 1 67 ALA HA 2.650 . 3.500 2.679 2.443 2.893 . 0 0 "[ . 1 . 2]" 5
786 1 53 LEU HA 1 53 LEU HB3 2.300 . 2.800 2.501 2.431 2.536 . 0 0 "[ . 1 . 2]" 5
787 1 53 LEU HA 1 56 ILE HB 2.650 . 3.500 2.475 2.218 2.762 . 0 0 "[ . 1 . 2]" 5
788 1 7 PRO HD2 1 7 PRO HG3 2.650 . 3.500 2.988 2.975 2.999 . 0 0 "[ . 1 . 2]" 5
789 1 7 PRO HD2 1 7 PRO HG2 2.650 . 2.800 2.315 2.290 2.339 . 0 0 "[ . 1 . 2]" 5
790 1 43 THR HA 1 46 ILE HB 2.650 . 3.500 3.016 2.489 3.363 . 0 0 "[ . 1 . 2]" 5
791 1 35 LEU MD1 1 41 ILE HA 2.650 . 3.500 2.180 1.922 2.403 . 0 0 "[ . 1 . 2]" 5
792 1 32 GLU HA 1 32 GLU HG3 2.650 . 3.500 2.623 2.555 2.687 . 0 0 "[ . 1 . 2]" 5
793 1 42 LYS HA 1 42 LYS QB 2.650 . 3.500 2.198 2.154 2.388 . 0 0 "[ . 1 . 2]" 5
794 1 42 LYS HA 1 42 LYS HG2 3.150 . 4.500 3.633 2.520 4.227 . 0 0 "[ . 1 . 2]" 5
795 1 21 PHE HA 1 21 PHE HB3 2.650 . 3.500 3.022 3.009 3.037 . 0 0 "[ . 1 . 2]" 5
796 1 3 ILE HA 1 3 ILE HB 2.650 . 3.500 2.501 2.416 2.648 . 0 0 "[ . 1 . 2]" 5
797 1 75 LYS HA 1 75 LYS HB2 2.650 . 3.500 2.993 2.526 3.034 . 0 0 "[ . 1 . 2]" 5
798 1 4 LEU HA 1 4 LEU HB2 2.650 . 3.500 3.016 3.006 3.030 . 0 0 "[ . 1 . 2]" 5
799 1 4 LEU HA 1 4 LEU HB3 2.650 . 3.500 2.495 2.445 2.592 . 0 0 "[ . 1 . 2]" 5
800 1 75 LYS HA 1 75 LYS HB3 2.300 . 2.800 2.512 2.420 2.894 0.094 7 0 "[ . 1 . 2]" 5
801 1 4 LEU HA 1 4 LEU HG 2.650 . 3.500 3.092 2.865 3.217 . 0 0 "[ . 1 . 2]" 5
802 1 4 LEU HA 1 4 LEU MD2 2.650 . 3.500 2.073 2.034 2.103 . 0 0 "[ . 1 . 2]" 5
803 1 25 MET HA 1 25 MET HB2 2.650 . 2.800 2.429 2.357 2.483 . 0 0 "[ . 1 . 2]" 5
804 1 25 MET HA 1 25 MET HB3 2.650 . 3.500 3.035 3.021 3.054 . 0 0 "[ . 1 . 2]" 5
805 1 25 MET HA 1 25 MET QG 2.650 . 3.500 2.530 2.479 2.616 . 0 0 "[ . 1 . 2]" 5
806 1 24 VAL HA 1 24 VAL MG1 2.650 . 2.800 2.417 2.391 2.447 . 0 0 "[ . 1 . 2]" 5
807 1 10 VAL HA 1 10 VAL MG2 2.650 . 3.500 2.336 2.275 2.369 . 0 0 "[ . 1 . 2]" 5
808 1 24 VAL HA 1 27 ILE HB 2.650 . 3.500 2.532 2.294 2.748 . 0 0 "[ . 1 . 2]" 5
809 1 66 ILE HA 1 66 ILE MG 3.150 . 3.500 2.341 2.316 2.365 . 0 0 "[ . 1 . 2]" 5
810 1 72 ARG HD2 1 72 ARG HG2 2.650 . 3.500 2.711 2.414 3.031 . 0 0 "[ . 1 . 2]" 5
811 1 15 PHE HA 1 15 PHE HB3 2.650 . 3.500 2.932 2.520 3.034 . 0 0 "[ . 1 . 2]" 5
812 1 58 LYS QE 1 58 LYS QG 2.650 . 3.500 2.301 2.076 2.843 . 0 0 "[ . 1 . 2]" 5
813 1 21 PHE HA 1 21 PHE HB2 2.650 . 3.500 2.410 2.363 2.436 . 0 0 "[ . 1 . 2]" 5
814 1 47 TYR HA 1 47 TYR HB2 2.650 . 3.500 3.015 3.003 3.023 . 0 0 "[ . 1 . 2]" 5
815 1 11 LYS QE 1 11 LYS HG3 3.150 . 4.500 2.497 2.302 3.319 . 0 0 "[ . 1 . 2]" 5
816 1 40 ASN HB2 1 43 THR HB 3.150 . 4.500 3.603 2.501 4.433 . 0 0 "[ . 1 . 2]" 5
817 1 74 TYR HA 1 74 TYR HB3 2.650 . 3.500 2.846 2.705 2.916 . 0 0 "[ . 1 . 2]" 5
818 1 65 MET HB3 1 65 MET HG3 2.650 . 3.500 2.989 2.973 3.001 . 0 0 "[ . 1 . 2]" 5
819 1 29 ASP HA 1 29 ASP HB3 2.650 . 3.500 2.990 2.980 3.005 . 0 0 "[ . 1 . 2]" 5
820 1 55 GLU HA 1 55 GLU HB2 2.650 . 3.500 2.521 2.337 3.018 . 0 0 "[ . 1 . 2]" 5
821 1 84 GLN QB 1 84 GLN QG 2.300 . 2.800 2.000 1.989 2.007 . 0 0 "[ . 1 . 2]" 5
822 1 27 ILE MD 1 52 HIS HB3 3.150 . 4.500 2.832 2.614 3.253 . 0 0 "[ . 1 . 2]" 5
823 1 65 MET HB3 1 65 MET HG2 2.650 . 2.800 2.478 2.356 2.509 . 0 0 "[ . 1 . 2]" 5
824 1 61 GLU HB2 1 61 GLU QG 2.300 . 2.800 2.277 2.118 2.471 . 0 0 "[ . 1 . 2]" 5
825 1 68 GLU HG2 1 69 ILE HG13 3.150 . 4.500 4.191 3.445 4.520 0.020 11 0 "[ . 1 . 2]" 5
826 1 25 MET HB3 1 25 MET QG 2.650 . 3.500 2.367 2.313 2.444 . 0 0 "[ . 1 . 2]" 5
827 1 80 GLU HB2 1 80 GLU QG 2.300 . 2.800 2.398 2.258 2.473 . 0 0 "[ . 1 . 2]" 5
828 1 14 GLN QB 1 14 GLN HG3 2.300 . 2.800 2.368 2.304 2.407 . 0 0 "[ . 1 . 2]" 5
829 1 7 PRO HD3 1 7 PRO HG3 2.650 . 2.800 2.275 2.256 2.287 . 0 0 "[ . 1 . 2]" 5
830 1 23 LEU HB2 1 23 LEU MD2 2.300 . 2.800 2.284 2.236 2.360 . 0 0 "[ . 1 . 2]" 5
831 1 90 ILE HB 1 90 ILE MD 2.650 . 3.500 2.434 2.373 2.470 . 0 0 "[ . 1 . 2]" 5
832 1 61 GLU HB3 1 61 GLU QG 2.300 . 2.800 2.291 2.135 2.372 . 0 0 "[ . 1 . 2]" 5
833 1 65 MET HB2 1 65 MET HG3 2.650 . 2.800 2.380 2.330 2.505 . 0 0 "[ . 1 . 2]" 5
834 1 79 ILE HG13 1 82 VAL HB 3.150 . 4.500 4.382 4.171 4.514 0.014 17 0 "[ . 1 . 2]" 5
835 1 77 ILE HB 1 77 ILE HG13 2.650 . 3.500 2.466 2.402 2.492 . 0 0 "[ . 1 . 2]" 5
836 1 77 ILE HB 1 77 ILE HG12 2.650 . 3.500 3.033 3.028 3.040 . 0 0 "[ . 1 . 2]" 5
837 1 77 ILE HB 1 77 ILE MG 2.300 . 2.800 2.126 2.120 2.130 . 0 0 "[ . 1 . 2]" 5
838 1 7 PRO HD3 1 7 PRO HG2 2.650 . 3.500 2.664 2.640 2.679 . 0 0 "[ . 1 . 2]" 5
839 1 10 VAL HB 1 10 VAL MG1 2.300 . 2.800 2.104 2.085 2.110 . 0 0 "[ . 1 . 2]" 5
840 1 10 VAL HB 1 10 VAL MG2 2.300 . 2.800 2.122 2.108 2.130 . 0 0 "[ . 1 . 2]" 5
841 1 18 LYS HB2 1 18 LYS QE 2.300 . 2.800 2.476 1.939 2.914 0.114 16 0 "[ . 1 . 2]" 5
842 1 30 GLU HB2 1 30 GLU QG 2.300 . 2.800 2.330 2.106 2.387 . 0 0 "[ . 1 . 2]" 5
843 1 80 GLU HB3 1 80 GLU QG 2.300 . 2.800 2.235 2.158 2.391 . 0 0 "[ . 1 . 2]" 5
844 1 18 LYS HB2 1 18 LYS HG2 2.650 . 3.500 2.868 2.584 3.009 . 0 0 "[ . 1 . 2]" 5
845 1 41 ILE MG 1 71 GLN HG3 2.650 . 3.500 3.352 2.996 3.513 0.013 17 0 "[ . 1 . 2]" 5
846 1 27 ILE HA 1 27 ILE HB 2.650 . 3.500 3.041 3.036 3.044 . 0 0 "[ . 1 . 2]" 5
847 1 28 LEU MD1 1 28 LEU HG 2.300 . 2.800 2.114 2.105 2.122 . 0 0 "[ . 1 . 2]" 5
848 1 5 GLU HA 1 5 GLU HB3 2.300 . 2.800 2.429 2.365 2.548 . 0 0 "[ . 1 . 2]" 5
849 1 79 ILE HB 1 79 ILE HG12 2.650 . 3.500 2.486 2.465 2.507 . 0 0 "[ . 1 . 2]" 5
850 1 11 LYS HB2 1 11 LYS HG3 2.300 . 2.800 2.427 2.345 2.491 . 0 0 "[ . 1 . 2]" 5
851 1 58 LYS QB 1 58 LYS QG 2.300 . 2.800 2.041 1.995 2.086 . 0 0 "[ . 1 . 2]" 5
852 1 35 LEU HB2 1 35 LEU MD1 2.650 . 3.500 2.359 2.242 2.402 . 0 0 "[ . 1 . 2]" 5
853 1 62 PHE HA 1 62 PHE HB3 2.650 . 3.500 3.024 3.014 3.036 . 0 0 "[ . 1 . 2]" 5
854 1 59 ASN HB2 1 62 PHE HB3 2.650 . 3.500 3.074 2.895 3.497 . 0 0 "[ . 1 . 2]" 5
855 1 46 ILE HB 1 46 ILE MD 2.650 . 3.500 2.446 2.415 2.474 . 0 0 "[ . 1 . 2]" 5
856 1 91 LYS QB 1 91 LYS QD 2.650 . 3.500 2.342 2.045 2.813 . 0 0 "[ . 1 . 2]" 5
857 1 66 ILE HB 1 66 ILE HG12 2.650 . 3.500 2.985 2.972 2.994 . 0 0 "[ . 1 . 2]" 5
858 1 45 ILE HA 1 45 ILE HG12 2.650 . 3.500 3.027 2.926 3.086 . 0 0 "[ . 1 . 2]" 5
859 1 69 ILE HA 1 72 ARG HB2 2.650 . 3.500 3.284 2.898 3.544 0.044 16 0 "[ . 1 . 2]" 5
860 1 45 ILE HB 1 45 ILE HG12 2.650 . 3.500 2.458 2.440 2.489 . 0 0 "[ . 1 . 2]" 5
861 1 70 LEU HG 1 82 VAL MG1 3.150 . 4.500 3.620 3.323 3.739 . 0 0 "[ . 1 . 2]" 5
862 1 35 LEU HB2 1 35 LEU HG 2.650 . 3.500 2.955 2.376 3.020 . 0 0 "[ . 1 . 2]" 5
863 1 58 LYS QB 1 58 LYS QD 2.300 . 2.800 2.235 1.985 2.448 . 0 0 "[ . 1 . 2]" 5
864 1 58 LYS QD 1 58 LYS QG 2.300 . 2.800 2.063 2.000 2.096 . 0 0 "[ . 1 . 2]" 5
865 1 90 ILE QG 1 90 ILE MG 2.650 . 3.500 2.329 2.298 2.378 . 0 0 "[ . 1 . 2]" 5
866 1 46 ILE HA 1 46 ILE HG12 2.650 . 3.500 2.519 2.462 2.558 . 0 0 "[ . 1 . 2]" 5
867 1 20 ASN HB3 1 23 LEU HB2 2.650 . 3.500 2.702 2.043 3.452 . 0 0 "[ . 1 . 2]" 5
868 1 56 ILE HB 1 56 ILE HG12 2.650 . 3.500 2.427 2.408 2.443 . 0 0 "[ . 1 . 2]" 5
869 1 46 ILE HG12 1 46 ILE MG 2.650 . 3.500 2.403 2.373 2.468 . 0 0 "[ . 1 . 2]" 5
870 1 77 ILE HG13 1 77 ILE MG 2.650 . 3.500 3.214 3.192 3.225 . 0 0 "[ . 1 . 2]" 5
871 1 4 LEU HB2 1 4 LEU MD1 2.300 . 2.800 2.308 2.260 2.349 . 0 0 "[ . 1 . 2]" 5
872 1 35 LEU HB3 1 35 LEU MD1 2.650 . 3.500 3.116 2.296 3.217 . 0 0 "[ . 1 . 2]" 5
873 1 45 ILE HB 1 45 ILE MD 2.650 . 3.500 3.249 3.238 3.253 . 0 0 "[ . 1 . 2]" 5
874 1 72 ARG HD2 1 72 ARG HG3 2.650 . 3.500 2.761 2.375 3.016 . 0 0 "[ . 1 . 2]" 5
875 1 60 LYS HA 1 60 LYS QG 2.650 . 3.500 3.394 3.327 3.537 0.037 7 0 "[ . 1 . 2]" 5
876 1 60 LYS HB2 1 60 LYS QG 2.300 . 2.800 2.293 2.125 2.375 . 0 0 "[ . 1 . 2]" 5
877 1 4 LEU MD1 1 4 LEU HG 2.300 . 2.800 2.125 2.116 2.135 . 0 0 "[ . 1 . 2]" 5
878 1 88 THR HA 1 88 THR MG 2.650 . 2.800 2.396 2.327 2.446 . 0 0 "[ . 1 . 2]" 5
879 1 85 LEU HA 1 85 LEU HB3 2.650 . 3.500 2.479 2.430 2.499 . 0 0 "[ . 1 . 2]" 5
880 1 18 LYS HB3 1 18 LYS HG2 2.300 . 2.800 2.339 2.254 2.380 . 0 0 "[ . 1 . 2]" 5
881 1 85 LEU HB3 1 85 LEU MD2 2.650 . 3.500 2.398 2.344 2.462 . 0 0 "[ . 1 . 2]" 5
882 1 4 LEU MD2 1 4 LEU HG 2.300 . 2.800 2.131 2.121 2.137 . 0 0 "[ . 1 . 2]" 5
883 1 75 LYS HB3 1 75 LYS QD 2.300 . 2.800 2.463 2.284 2.870 0.070 4 0 "[ . 1 . 2]" 5
884 1 3 ILE HB 1 3 ILE HG13 2.650 . 3.500 2.667 2.469 3.026 . 0 0 "[ . 1 . 2]" 5
885 1 70 LEU HB3 1 70 LEU MD2 2.300 . 2.800 2.321 2.299 2.337 . 0 0 "[ . 1 . 2]" 5
886 1 41 ILE HA 1 41 ILE HG13 2.300 . 2.800 2.541 2.489 2.661 . 0 0 "[ . 1 . 2]" 5
887 1 46 ILE HB 1 46 ILE HG13 2.650 . 3.500 2.463 2.431 2.483 . 0 0 "[ . 1 . 2]" 5
888 1 90 ILE MD 1 91 LYS QD 3.150 . 4.500 4.495 4.057 4.635 0.135 9 0 "[ . 1 . 2]" 5
889 1 77 ILE MD 1 77 ILE MG 2.650 . 3.500 1.947 1.886 1.992 . 0 0 "[ . 1 . 2]" 5
890 1 79 ILE HA 1 79 ILE MD 2.650 . 3.500 2.104 2.052 2.187 . 0 0 "[ . 1 . 2]" 5
891 1 56 ILE HA 1 56 ILE HG13 3.150 . 4.500 3.776 3.741 3.800 . 0 0 "[ . 1 . 2]" 5
892 1 75 LYS HA 1 75 LYS QG 2.650 . 3.500 2.671 2.307 2.975 . 0 0 "[ . 1 . 2]" 5
893 1 69 ILE HB 1 69 ILE MG 2.300 . 2.800 2.140 2.131 2.146 . 0 0 "[ . 1 . 2]" 5
894 1 56 ILE HB 1 56 ILE HG13 2.300 . 2.800 2.485 2.462 2.512 . 0 0 "[ . 1 . 2]" 5
895 1 75 LYS HB2 1 75 LYS QG 2.650 . 3.500 2.257 2.155 2.472 . 0 0 "[ . 1 . 2]" 5
896 1 75 LYS HB3 1 75 LYS QG 2.650 . 3.500 2.350 2.257 2.400 . 0 0 "[ . 1 . 2]" 5
897 1 66 ILE MG 1 86 ILE MD 2.650 . 3.500 2.132 2.015 2.301 . 0 0 "[ . 1 . 2]" 5
898 1 56 ILE HG13 1 56 ILE MG 2.300 . 2.800 2.263 2.239 2.308 . 0 0 "[ . 1 . 2]" 5
899 1 66 ILE MD 1 66 ILE HG13 2.300 . 2.800 2.128 2.118 2.137 . 0 0 "[ . 1 . 2]" 5
900 1 25 MET HA 1 87 LEU MD2 3.150 . 4.500 2.077 1.947 2.340 . 0 0 "[ . 1 . 2]" 5
901 1 23 LEU HB3 1 23 LEU MD2 2.650 . 3.500 2.364 2.274 2.454 . 0 0 "[ . 1 . 2]" 5
902 1 41 ILE MG 1 71 GLN HB2 3.150 . 4.500 3.918 3.647 4.014 . 0 0 "[ . 1 . 2]" 5
903 1 87 LEU MD1 1 87 LEU MD2 2.650 . 3.500 2.065 2.047 2.083 . 0 0 "[ . 1 . 2]" 5
904 1 41 ILE MD 1 41 ILE MG 2.300 . 2.800 1.942 1.856 2.035 . 0 0 "[ . 1 . 2]" 5
905 1 70 LEU HB2 1 70 LEU MD1 2.650 . 3.500 2.295 2.276 2.315 . 0 0 "[ . 1 . 2]" 5
906 1 12 LEU HB3 1 12 LEU MD1 3.150 . 4.500 2.341 2.311 2.378 . 0 0 "[ . 1 . 2]" 5
907 1 12 LEU MD1 1 69 ILE MD 3.150 . 4.500 1.920 1.855 1.975 . 0 0 "[ . 1 . 2]" 5
908 1 19 VAL MG2 1 24 VAL MG1 3.150 . 4.500 3.473 3.140 3.801 . 0 0 "[ . 1 . 2]" 5
909 1 41 ILE HA 1 41 ILE HG12 3.150 . 4.500 3.148 3.048 3.285 . 0 0 "[ . 1 . 2]" 5
910 1 12 LEU MD1 1 12 LEU HG 2.300 . 2.800 2.124 2.113 2.134 . 0 0 "[ . 1 . 2]" 5
911 1 72 ARG HD3 1 72 ARG HG2 2.650 . 3.500 2.413 2.312 2.532 . 0 0 "[ . 1 . 2]" 5
912 1 72 ARG HA 1 72 ARG HG2 2.650 . 3.500 3.240 3.015 3.393 . 0 0 "[ . 1 . 2]" 5
913 1 72 ARG HD3 1 72 ARG HG3 2.650 . 3.500 2.694 2.414 3.017 . 0 0 "[ . 1 . 2]" 5
914 1 65 MET HA 1 65 MET HG2 2.650 . 3.500 2.406 2.345 2.565 . 0 0 "[ . 1 . 2]" 5
915 1 69 ILE H 1 69 ILE HA 2.650 . 3.500 2.802 2.782 2.833 . 0 0 "[ . 1 . 2]" 5
916 1 29 ASP HA 1 29 ASP HB2 2.650 . 3.500 2.560 2.502 2.642 . 0 0 "[ . 1 . 2]" 5
917 1 48 VAL HA 1 52 HIS HD2 2.650 . 3.500 2.696 2.368 3.094 . 0 0 "[ . 1 . 2]" 5
918 1 9 PHE HB3 1 10 VAL HA 3.150 . 4.500 4.266 4.170 4.354 . 0 0 "[ . 1 . 2]" 5
919 1 82 VAL HA 1 85 LEU HG 2.650 . 3.500 3.284 2.669 3.516 0.016 16 0 "[ . 1 . 2]" 5
920 1 46 ILE HA 1 46 ILE HB 2.650 . 3.500 3.031 3.019 3.040 . 0 0 "[ . 1 . 2]" 5
921 1 41 ILE HA 1 44 SER H 2.650 . 3.500 3.049 2.883 3.228 . 0 0 "[ . 1 . 2]" 5
922 1 21 PHE HA 1 24 VAL HB 2.650 . 3.500 3.002 2.719 3.286 . 0 0 "[ . 1 . 2]" 5
923 1 50 SER HA 1 53 LEU MD2 2.650 . 3.500 2.046 1.901 2.308 . 0 0 "[ . 1 . 2]" 5
924 1 60 LYS HA 1 60 LYS HB3 2.300 . 2.800 2.430 2.364 2.569 . 0 0 "[ . 1 . 2]" 5
925 1 60 LYS HA 1 60 LYS HB2 2.300 . 2.800 2.438 2.361 2.504 . 0 0 "[ . 1 . 2]" 5
926 1 32 GLU HA 1 32 GLU HB3 2.650 . 3.500 3.013 2.999 3.028 . 0 0 "[ . 1 . 2]" 5
927 1 26 GLN HA 1 30 GLU H 2.900 . 4.000 3.682 3.561 3.826 . 0 0 "[ . 1 . 2]" 5
928 1 87 LEU H 1 87 LEU HA 2.300 . 2.800 2.810 2.791 2.823 0.023 17 0 "[ . 1 . 2]" 5
929 1 15 PHE HA 1 15 PHE HB2 2.650 . 3.500 2.612 2.431 3.009 . 0 0 "[ . 1 . 2]" 5
930 1 14 GLN HA 1 15 PHE H 3.150 . 4.500 3.473 3.394 3.572 . 0 0 "[ . 1 . 2]" 5
931 1 35 LEU HA 1 35 LEU HB3 2.650 . 3.500 3.007 2.991 3.033 . 0 0 "[ . 1 . 2]" 5
932 1 83 ASN H 1 83 ASN HA 2.650 . 3.500 2.773 2.754 2.787 . 0 0 "[ . 1 . 2]" 5
933 1 28 LEU MD2 1 83 ASN HA 3.150 . 4.500 2.429 2.129 2.562 . 0 0 "[ . 1 . 2]" 5
934 1 85 LEU HA 1 85 LEU HB2 2.650 . 3.500 3.013 3.003 3.022 . 0 0 "[ . 1 . 2]" 5
935 1 82 VAL HA 1 85 LEU HB2 2.650 . 3.500 2.491 2.236 2.859 . 0 0 "[ . 1 . 2]" 5
936 1 9 PHE HA 1 12 LEU HB2 2.300 . 2.800 2.765 2.470 2.857 0.057 20 0 "[ . 1 . 2]" 5
937 1 23 LEU HA 1 23 LEU HB2 2.650 . 3.500 2.460 2.427 2.502 . 0 0 "[ . 1 . 2]" 5
938 1 60 LYS HD2 1 60 LYS QE 2.300 . 2.800 2.302 2.167 2.402 . 0 0 "[ . 1 . 2]" 5
939 1 75 LYS QE 1 75 LYS QG 2.650 . 3.500 2.336 2.112 2.803 . 0 0 "[ . 1 . 2]" 5
940 1 87 LEU HB3 1 87 LEU MD2 2.650 . 3.500 2.375 2.343 2.445 . 0 0 "[ . 1 . 2]" 5
941 1 28 LEU HB2 1 28 LEU MD1 3.150 . 4.500 2.279 2.163 2.323 . 0 0 "[ . 1 . 2]" 5
942 1 8 GLU HA 1 8 GLU HG2 2.650 . 3.500 3.182 2.418 3.362 . 0 0 "[ . 1 . 2]" 5
943 1 90 ILE HB 1 90 ILE QG 2.650 . 3.500 2.377 2.349 2.407 . 0 0 "[ . 1 . 2]" 5
944 1 79 ILE HB 1 79 ILE HG13 2.650 . 3.500 3.020 3.008 3.032 . 0 0 "[ . 1 . 2]" 5
945 1 8 GLU HA 1 8 GLU HG3 2.900 . 4.000 3.763 3.172 3.869 . 0 0 "[ . 1 . 2]" 5
946 1 83 ASN HB3 1 84 GLN H 2.650 . 3.500 3.094 2.254 3.508 0.008 2 0 "[ . 1 . 2]" 5
947 1 55 GLU HB3 1 55 GLU HG3 2.650 . 3.500 2.531 2.396 3.044 . 0 0 "[ . 1 . 2]" 5
948 1 76 LYS HA 1 76 LYS QB 2.300 . 2.800 2.373 2.322 2.462 . 0 0 "[ . 1 . 2]" 5
949 1 84 GLN QG 1 87 LEU HB2 3.150 . 4.500 4.325 4.175 4.464 . 0 0 "[ . 1 . 2]" 5
950 1 12 LEU MD2 1 65 MET HB3 2.650 . 3.500 2.843 2.589 3.095 . 0 0 "[ . 1 . 2]" 5
951 1 12 LEU MD1 1 65 MET HB3 3.150 . 4.500 3.261 3.069 3.365 . 0 0 "[ . 1 . 2]" 5
952 1 7 PRO HB3 1 7 PRO HD2 3.150 . 4.500 3.903 3.872 3.946 . 0 0 "[ . 1 . 2]" 5
953 1 72 ARG HB3 1 72 ARG HG2 2.650 . 3.500 2.388 2.289 2.424 . 0 0 "[ . 1 . 2]" 5
954 1 68 GLU H 1 68 GLU HB3 2.650 . 3.500 2.492 2.221 2.872 . 0 0 "[ . 1 . 2]" 5
955 1 86 ILE H 1 86 ILE HG13 3.150 . 4.500 3.704 3.669 3.742 . 0 0 "[ . 1 . 2]" 5
956 1 54 ASP HA 1 57 ARG QG 3.150 . 4.500 2.958 1.993 4.578 0.078 8 0 "[ . 1 . 2]" 5
957 1 57 ARG HA 1 57 ARG QG 2.650 . 3.500 2.990 2.322 3.360 . 0 0 "[ . 1 . 2]" 5
958 1 72 ARG HB2 1 72 ARG HG2 2.650 . 3.500 2.983 2.967 2.996 . 0 0 "[ . 1 . 2]" 5
959 1 23 LEU HA 1 23 LEU HG 3.150 . 4.500 3.260 3.167 3.331 . 0 0 "[ . 1 . 2]" 5
960 1 72 ARG HA 1 72 ARG HG3 2.650 . 3.500 2.611 2.485 2.792 . 0 0 "[ . 1 . 2]" 5
961 1 66 ILE HA 1 66 ILE HG12 3.150 . 4.500 3.783 3.758 3.814 . 0 0 "[ . 1 . 2]" 5
962 1 7 PRO HB2 1 7 PRO HG3 2.650 . 3.500 2.974 2.950 2.995 . 0 0 "[ . 1 . 2]" 5
963 1 23 LEU HB2 1 23 LEU MD1 3.150 . 4.500 2.444 2.384 2.531 . 0 0 "[ . 1 . 2]" 5
964 1 48 VAL HA 1 48 VAL MG1 2.650 . 3.500 2.403 2.334 2.424 . 0 0 "[ . 1 . 2]" 5
965 1 65 MET ME 1 65 MET HG2 2.650 . 3.500 3.316 2.470 3.416 . 0 0 "[ . 1 . 2]" 5
966 1 3 ILE HG13 1 3 ILE MG 2.650 . 3.500 2.993 2.441 3.224 . 0 0 "[ . 1 . 2]" 5
967 1 45 ILE HG12 1 45 ILE MG 2.650 . 3.500 3.208 3.200 3.213 . 0 0 "[ . 1 . 2]" 5
968 1 70 LEU HB2 1 79 ILE MD 3.150 . 4.500 4.086 3.795 4.520 0.020 18 0 "[ . 1 . 2]" 5
969 1 26 GLN HA 1 29 ASP H 3.150 . 4.500 3.264 3.161 3.419 . 0 0 "[ . 1 . 2]" 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 19
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 14.866
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0110
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0338
_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 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.066 0.019 5 0 "[ . 1 . 2]"
1 15 PHE 0.066 0.019 5 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.677 0.145 14 0 "[ . 1 . 2]"
1 47 TYR 0.677 0.145 14 0 "[ . 1 . 2]"
1 48 VAL 0.677 0.145 14 0 "[ . 1 . 2]"
1 49 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 PHE QD 1 10 VAL H 3.650 . 5.500 3.095 2.883 3.277 . 0 0 "[ . 1 . 2]" 6
2 1 12 LEU HA 1 15 PHE QE 3.150 . 4.500 4.385 3.990 4.519 0.019 5 0 "[ . 1 . 2]" 6
3 1 12 LEU HA 1 15 PHE QD 3.150 . 4.500 2.685 2.099 2.982 . 0 0 "[ . 1 . 2]" 6
4 1 43 THR HB 1 47 TYR QE 3.150 . 4.500 3.688 3.440 3.894 . 0 0 "[ . 1 . 2]" 6
5 1 48 VAL HA 1 52 HIS HD2 3.150 . 4.500 2.328 2.155 2.528 . 0 0 "[ . 1 . 2]" 6
6 1 9 PHE QD 1 10 VAL HB 3.150 . 4.500 3.404 2.971 3.967 . 0 0 "[ . 1 . 2]" 6
7 1 21 PHE HZ 1 25 MET HB2 3.150 . 4.500 3.791 2.603 4.265 . 0 0 "[ . 1 . 2]" 6
8 1 31 ILE HB 1 47 TYR QD 3.650 . 5.500 5.135 4.988 5.297 . 0 0 "[ . 1 . 2]" 6
9 1 69 ILE HG12 1 73 TYR QD 2.650 . 3.500 2.815 2.081 3.345 . 0 0 "[ . 1 . 2]" 6
10 1 69 ILE HG12 1 73 TYR QE 3.150 . 4.500 2.732 2.096 3.280 . 0 0 "[ . 1 . 2]" 6
11 1 74 TYR QD 1 75 LYS HB2 3.150 . 4.500 3.663 3.159 4.137 . 0 0 "[ . 1 . 2]" 6
12 1 70 LEU HB3 1 74 TYR QD 3.150 . 4.500 3.025 2.383 3.891 . 0 0 "[ . 1 . 2]" 6
13 1 46 ILE HG13 1 47 TYR QE 3.400 . 5.000 5.026 4.931 5.145 0.145 14 0 "[ . 1 . 2]" 6
14 1 24 VAL MG2 1 62 PHE QE 2.650 . 3.500 2.116 1.984 2.213 . 0 0 "[ . 1 . 2]" 6
15 1 9 PHE QD 1 86 ILE MD 2.650 . 3.500 2.113 1.931 2.368 . 0 0 "[ . 1 . 2]" 6
16 1 41 ILE MG 1 74 TYR QD 2.300 . 2.800 2.295 2.133 2.480 . 0 0 "[ . 1 . 2]" 6
17 1 27 ILE MG 1 49 TYR QE 2.300 . 2.800 2.303 2.012 2.653 . 0 0 "[ . 1 . 2]" 6
18 1 19 VAL MG2 1 49 TYR QE 2.650 . 3.500 3.172 2.947 3.342 . 0 0 "[ . 1 . 2]" 6
19 1 49 TYR QE 1 56 ILE MD 3.150 . 4.500 2.848 2.750 3.046 . 0 0 "[ . 1 . 2]" 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 106
_Distance_constraint_stats_list.Viol_count 100
_Distance_constraint_stats_list.Viol_total 50.277
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0251
_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 7 PRO 0.089 0.045 11 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.100 0.051 6 0 "[ . 1 . 2]"
1 11 LYS 0.089 0.045 11 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLN 0.100 0.051 6 0 "[ . 1 . 2]"
1 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 MET 0.007 0.007 4 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.007 0.007 4 0 "[ . 1 . 2]"
1 30 GLU 0.350 0.061 9 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.350 0.061 9 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASN 0.069 0.032 20 0 "[ . 1 . 2]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LYS 0.037 0.030 2 0 "[ . 1 . 2]"
1 43 THR 0.242 0.054 19 0 "[ . 1 . 2]"
1 44 SER 0.083 0.032 20 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.037 0.030 2 0 "[ . 1 . 2]"
1 47 TYR 0.282 0.054 19 0 "[ . 1 . 2]"
1 48 VAL 0.094 0.034 9 0 "[ . 1 . 2]"
1 49 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 0.041 0.022 14 0 "[ . 1 . 2]"
1 52 HIS 0.079 0.034 9 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.159 0.074 15 0 "[ . 1 . 2]"
1 55 GLU 0.010 0.010 15 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.159 0.074 15 0 "[ . 1 . 2]"
1 59 ASN 0.010 0.010 15 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.153 0.092 16 0 "[ . 1 . 2]"
1 65 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.256 0.038 6 0 "[ . 1 . 2]"
1 68 GLU 0.153 0.092 16 0 "[ . 1 . 2]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.881 0.087 13 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.625 0.087 13 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.065 0.044 5 0 "[ . 1 . 2]"
1 81 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLN 0.065 0.044 5 0 "[ . 1 . 2]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.069 0.033 5 0 "[ . 1 . 2]"
1 87 LEU 0.149 0.066 10 0 "[ . 1 . 2]"
1 88 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ILE 0.069 0.033 5 0 "[ . 1 . 2]"
1 91 LYS 0.149 0.066 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 PRO O 1 11 LYS H 2.000 . 2.500 2.360 2.091 2.545 0.045 11 0 "[ . 1 . 2]" 7
2 1 7 PRO O 1 11 LYS N 3.000 2.500 3.500 3.269 3.017 3.491 . 0 0 "[ . 1 . 2]" 7
3 1 8 GLU O 1 12 LEU H 2.000 . 2.500 2.085 1.934 2.334 . 0 0 "[ . 1 . 2]" 7
4 1 8 GLU O 1 12 LEU N 3.000 2.500 3.500 2.978 2.790 3.158 . 0 0 "[ . 1 . 2]" 7
5 1 9 PHE O 1 13 ARG H 2.000 . 2.500 2.204 2.001 2.464 . 0 0 "[ . 1 . 2]" 7
6 1 9 PHE O 1 13 ARG N 3.000 2.500 3.500 3.098 2.875 3.312 . 0 0 "[ . 1 . 2]" 7
7 1 10 VAL O 1 14 GLN H 2.000 . 2.500 2.331 1.932 2.551 0.051 6 0 "[ . 1 . 2]" 7
8 1 10 VAL O 1 14 GLN N 3.000 2.500 3.500 3.189 2.816 3.448 . 0 0 "[ . 1 . 2]" 7
9 1 11 LYS O 1 15 PHE H 2.000 . 2.500 2.011 1.770 2.259 . 0 0 "[ . 1 . 2]" 7
10 1 11 LYS O 1 15 PHE N 3.000 2.500 3.500 2.834 2.664 3.025 . 0 0 "[ . 1 . 2]" 7
11 1 12 LEU O 1 16 LYS H 2.000 . 2.500 1.935 1.754 2.461 . 0 0 "[ . 1 . 2]" 7
12 1 12 LEU O 1 16 LYS N 3.000 2.500 3.500 2.827 2.676 3.119 . 0 0 "[ . 1 . 2]" 7
13 1 20 ASN O 1 24 VAL H 2.000 . 2.500 1.996 1.860 2.158 . 0 0 "[ . 1 . 2]" 7
14 1 20 ASN O 1 24 VAL N 3.000 2.500 3.500 2.958 2.837 3.126 . 0 0 "[ . 1 . 2]" 7
15 1 21 PHE O 1 25 MET H 2.000 . 2.500 1.940 1.842 2.073 . 0 0 "[ . 1 . 2]" 7
16 1 21 PHE O 1 25 MET N 3.000 2.500 3.500 2.895 2.795 3.018 . 0 0 "[ . 1 . 2]" 7
17 1 22 ASN O 1 26 GLN H 2.000 . 2.500 2.165 1.970 2.452 . 0 0 "[ . 1 . 2]" 7
18 1 22 ASN O 1 26 GLN N 3.000 2.500 3.500 3.014 2.855 3.329 . 0 0 "[ . 1 . 2]" 7
19 1 23 LEU O 1 27 ILE H 2.000 . 2.500 1.808 1.734 1.916 . 0 0 "[ . 1 . 2]" 7
20 1 23 LEU O 1 27 ILE N 3.000 2.500 3.500 2.731 2.654 2.851 . 0 0 "[ . 1 . 2]" 7
21 1 24 VAL O 1 28 LEU H 2.000 . 2.500 1.894 1.816 2.017 . 0 0 "[ . 1 . 2]" 7
22 1 24 VAL O 1 28 LEU N 3.000 2.500 3.500 2.871 2.802 2.997 . 0 0 "[ . 1 . 2]" 7
23 1 25 MET O 1 29 ASP H 2.000 . 2.500 2.115 1.906 2.507 0.007 4 0 "[ . 1 . 2]" 7
24 1 25 MET O 1 29 ASP N 3.000 2.500 3.500 2.957 2.768 3.275 . 0 0 "[ . 1 . 2]" 7
25 1 26 GLN O 1 30 GLU H 2.000 . 2.500 1.758 1.714 1.793 . 0 0 "[ . 1 . 2]" 7
26 1 26 GLN O 1 30 GLU N 3.000 2.500 3.500 2.696 2.665 2.750 . 0 0 "[ . 1 . 2]" 7
27 1 27 ILE O 1 31 ILE H 2.000 . 2.500 2.088 1.839 2.358 . 0 0 "[ . 1 . 2]" 7
28 1 27 ILE O 1 31 ILE N 3.000 2.500 3.500 3.043 2.799 3.324 . 0 0 "[ . 1 . 2]" 7
29 1 28 LEU O 1 32 GLU H 2.000 . 2.500 2.103 1.991 2.316 . 0 0 "[ . 1 . 2]" 7
30 1 28 LEU O 1 32 GLU N 3.000 2.500 3.500 2.990 2.905 3.179 . 0 0 "[ . 1 . 2]" 7
31 1 29 ASP O 1 33 LEU H 2.000 . 2.500 1.852 1.727 2.054 . 0 0 "[ . 1 . 2]" 7
32 1 29 ASP O 1 33 LEU N 3.000 2.500 3.500 2.822 2.702 3.024 . 0 0 "[ . 1 . 2]" 7
33 1 30 GLU O 1 34 ASP H 2.000 . 2.500 2.453 2.003 2.561 0.061 9 0 "[ . 1 . 2]" 7
34 1 30 GLU O 1 34 ASP N 3.000 2.500 3.500 3.319 2.857 3.439 . 0 0 "[ . 1 . 2]" 7
35 1 31 ILE O 1 35 LEU H 2.000 . 2.500 1.834 1.743 2.105 . 0 0 "[ . 1 . 2]" 7
36 1 31 ILE O 1 35 LEU N 3.000 2.500 3.500 2.793 2.698 3.075 . 0 0 "[ . 1 . 2]" 7
37 1 32 GLU O 1 36 ARG H 2.000 . 2.500 2.025 1.776 2.417 . 0 0 "[ . 1 . 2]" 7
38 1 32 GLU O 1 36 ARG N 3.000 2.500 3.500 2.904 2.700 3.274 . 0 0 "[ . 1 . 2]" 7
39 1 40 ASN O 1 44 SER H 2.000 . 2.500 2.200 1.885 2.532 0.032 20 0 "[ . 1 . 2]" 7
40 1 40 ASN O 1 44 SER N 3.000 2.500 3.500 3.133 2.830 3.472 . 0 0 "[ . 1 . 2]" 7
41 1 41 ILE O 1 45 ILE H 2.000 . 2.500 1.853 1.777 1.915 . 0 0 "[ . 1 . 2]" 7
42 1 41 ILE O 1 45 ILE N 3.000 2.500 3.500 2.789 2.697 2.853 . 0 0 "[ . 1 . 2]" 7
43 1 42 LYS O 1 46 ILE H 2.000 . 2.500 2.265 1.904 2.530 0.030 2 0 "[ . 1 . 2]" 7
44 1 42 LYS O 1 46 ILE N 3.000 2.500 3.500 3.154 2.844 3.427 . 0 0 "[ . 1 . 2]" 7
45 1 43 THR O 1 47 TYR H 2.000 . 2.500 2.424 2.049 2.554 0.054 19 0 "[ . 1 . 2]" 7
46 1 43 THR O 1 47 TYR N 3.000 2.500 3.500 3.341 2.987 3.477 . 0 0 "[ . 1 . 2]" 7
47 1 44 SER O 1 48 VAL H 2.000 . 2.500 2.368 2.183 2.513 0.013 9 0 "[ . 1 . 2]" 7
48 1 44 SER O 1 48 VAL N 3.000 2.500 3.500 3.337 3.121 3.482 . 0 0 "[ . 1 . 2]" 7
49 1 45 ILE O 1 49 TYR H 2.000 . 2.500 1.871 1.758 1.969 . 0 0 "[ . 1 . 2]" 7
50 1 45 ILE O 1 49 TYR N 3.000 2.500 3.500 2.838 2.733 2.938 . 0 0 "[ . 1 . 2]" 7
51 1 46 ILE O 1 50 SER H 2.000 . 2.500 2.021 1.846 2.240 . 0 0 "[ . 1 . 2]" 7
52 1 46 ILE O 1 50 SER N 3.000 2.500 3.500 2.929 2.782 3.085 . 0 0 "[ . 1 . 2]" 7
53 1 47 TYR O 1 51 SER H 2.000 . 2.500 2.198 1.910 2.522 0.022 14 0 "[ . 1 . 2]" 7
54 1 47 TYR O 1 51 SER N 3.000 2.500 3.500 2.970 2.773 3.272 . 0 0 "[ . 1 . 2]" 7
55 1 48 VAL O 1 52 HIS H 2.000 . 2.500 2.103 1.835 2.534 0.034 9 0 "[ . 1 . 2]" 7
56 1 48 VAL O 1 52 HIS N 3.000 2.500 3.500 2.891 2.792 3.052 . 0 0 "[ . 1 . 2]" 7
57 1 53 LEU O 1 57 ARG H 2.000 . 2.500 1.830 1.771 1.938 . 0 0 "[ . 1 . 2]" 7
58 1 53 LEU O 1 57 ARG N 3.000 2.500 3.500 2.780 2.714 2.859 . 0 0 "[ . 1 . 2]" 7
59 1 54 ASP O 1 58 LYS H 2.000 . 2.500 2.283 1.872 2.574 0.074 15 0 "[ . 1 . 2]" 7
60 1 54 ASP O 1 58 LYS N 3.000 2.500 3.500 3.121 2.767 3.456 . 0 0 "[ . 1 . 2]" 7
61 1 55 GLU O 1 59 ASN H 2.000 . 2.500 2.154 1.850 2.510 0.010 15 0 "[ . 1 . 2]" 7
62 1 55 GLU O 1 59 ASN N 3.000 2.500 3.500 3.080 2.825 3.481 . 0 0 "[ . 1 . 2]" 7
63 1 59 ASN O 1 63 TYR H 2.000 . 2.500 1.987 1.822 2.132 . 0 0 "[ . 1 . 2]" 7
64 1 59 ASN O 1 63 TYR N 3.000 2.500 3.500 2.963 2.801 3.099 . 0 0 "[ . 1 . 2]" 7
65 1 60 LYS O 1 64 ASP H 2.000 . 2.500 1.999 1.826 2.278 . 0 0 "[ . 1 . 2]" 7
66 1 60 LYS O 1 64 ASP N 3.000 2.500 3.500 2.868 2.731 3.112 . 0 0 "[ . 1 . 2]" 7
67 1 61 GLU O 1 65 MET H 2.000 . 2.500 2.073 1.906 2.268 . 0 0 "[ . 1 . 2]" 7
68 1 61 GLU O 1 65 MET N 3.000 2.500 3.500 3.031 2.868 3.226 . 0 0 "[ . 1 . 2]" 7
69 1 62 PHE O 1 66 ILE H 2.000 . 2.500 1.902 1.817 2.039 . 0 0 "[ . 1 . 2]" 7
70 1 62 PHE O 1 66 ILE N 3.000 2.500 3.500 2.871 2.793 3.000 . 0 0 "[ . 1 . 2]" 7
71 1 63 TYR O 1 67 ALA H 2.000 . 2.500 2.179 1.916 2.469 . 0 0 "[ . 1 . 2]" 7
72 1 63 TYR O 1 67 ALA N 3.000 2.500 3.500 3.084 2.870 3.350 . 0 0 "[ . 1 . 2]" 7
73 1 64 ASP O 1 68 GLU H 2.000 . 2.500 2.330 1.824 2.592 0.092 16 0 "[ . 1 . 2]" 7
74 1 64 ASP O 1 68 GLU N 3.000 2.500 3.500 3.237 2.770 3.528 0.028 16 0 "[ . 1 . 2]" 7
75 1 65 MET O 1 69 ILE H 2.000 . 2.500 2.091 1.935 2.306 . 0 0 "[ . 1 . 2]" 7
76 1 65 MET O 1 69 ILE N 3.000 2.500 3.500 3.061 2.911 3.276 . 0 0 "[ . 1 . 2]" 7
77 1 66 ILE O 1 70 LEU H 2.000 . 2.500 1.697 1.665 1.736 . 0 0 "[ . 1 . 2]" 7
78 1 66 ILE O 1 70 LEU N 3.000 2.500 3.500 2.667 2.628 2.708 . 0 0 "[ . 1 . 2]" 7
79 1 67 ALA O 1 71 GLN H 2.000 . 2.500 2.470 2.216 2.538 0.038 6 0 "[ . 1 . 2]" 7
80 1 67 ALA O 1 71 GLN N 3.000 2.500 3.500 3.407 3.162 3.491 . 0 0 "[ . 1 . 2]" 7
81 1 68 GLU O 1 72 ARG H 2.000 . 2.500 2.075 1.919 2.246 . 0 0 "[ . 1 . 2]" 7
82 1 68 GLU O 1 72 ARG N 3.000 2.500 3.500 3.032 2.881 3.192 . 0 0 "[ . 1 . 2]" 7
83 1 69 ILE O 1 73 TYR H 2.000 . 2.500 1.781 1.698 1.860 . 0 0 "[ . 1 . 2]" 7
84 1 69 ILE O 1 73 TYR N 3.000 2.500 3.500 2.731 2.661 2.804 . 0 0 "[ . 1 . 2]" 7
85 1 70 LEU O 1 74 TYR H 2.000 . 2.500 2.084 1.908 2.252 . 0 0 "[ . 1 . 2]" 7
86 1 70 LEU O 1 74 TYR N 3.000 2.500 3.500 2.901 2.786 3.012 . 0 0 "[ . 1 . 2]" 7
87 1 71 GLN O 1 75 LYS H 2.000 . 2.500 2.512 2.291 2.587 0.087 13 0 "[ . 1 . 2]" 7
88 1 71 GLN O 1 75 LYS N 3.000 2.500 3.500 3.418 3.198 3.527 0.027 18 0 "[ . 1 . 2]" 7
89 1 79 ILE O 1 83 ASN H 2.000 . 2.500 1.834 1.745 1.927 . 0 0 "[ . 1 . 2]" 7
90 1 79 ILE O 1 83 ASN N 3.000 2.500 3.500 2.799 2.713 2.904 . 0 0 "[ . 1 . 2]" 7
91 1 80 GLU O 1 84 GLN H 2.000 . 2.500 2.353 2.169 2.544 0.044 5 0 "[ . 1 . 2]" 7
92 1 80 GLU O 1 84 GLN N 3.000 2.500 3.500 3.282 3.108 3.485 . 0 0 "[ . 1 . 2]" 7
93 1 81 ASN O 1 85 LEU H 2.000 . 2.500 2.062 1.945 2.287 . 0 0 "[ . 1 . 2]" 7
94 1 81 ASN O 1 85 LEU N 3.000 2.500 3.500 2.989 2.864 3.169 . 0 0 "[ . 1 . 2]" 7
95 1 82 VAL O 1 86 ILE H 2.000 . 2.500 1.835 1.746 1.972 . 0 0 "[ . 1 . 2]" 7
96 1 82 VAL O 1 86 ILE N 3.000 2.500 3.500 2.771 2.703 2.855 . 0 0 "[ . 1 . 2]" 7
97 1 83 ASN O 1 87 LEU H 2.000 . 2.500 2.180 1.988 2.393 . 0 0 "[ . 1 . 2]" 7
98 1 83 ASN O 1 87 LEU N 3.000 2.500 3.500 3.120 2.944 3.325 . 0 0 "[ . 1 . 2]" 7
99 1 84 GLN O 1 88 THR H 2.000 . 2.500 1.969 1.838 2.274 . 0 0 "[ . 1 . 2]" 7
100 1 84 GLN O 1 88 THR N 3.000 2.500 3.500 2.882 2.747 3.152 . 0 0 "[ . 1 . 2]" 7
101 1 85 LEU O 1 89 THR H 2.000 . 2.500 2.131 1.980 2.257 . 0 0 "[ . 1 . 2]" 7
102 1 85 LEU O 1 89 THR N 3.000 2.500 3.500 2.911 2.784 3.039 . 0 0 "[ . 1 . 2]" 7
103 1 86 ILE O 1 90 ILE H 2.000 . 2.500 2.277 1.902 2.533 0.033 5 0 "[ . 1 . 2]" 7
104 1 86 ILE O 1 90 ILE N 3.000 2.500 3.500 3.163 2.851 3.440 . 0 0 "[ . 1 . 2]" 7
105 1 87 LEU O 1 91 LYS H 2.000 . 2.500 2.189 1.848 2.566 0.066 10 0 "[ . 1 . 2]" 7
106 1 87 LEU O 1 91 LYS N 3.000 2.500 3.500 2.995 2.756 3.289 . 0 0 "[ . 1 . 2]" 7
stop_
save_
Contact the webmaster for help, if required. Sunday, May 12, 2024 10:19:01 PM GMT (wattos1)