NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562611 |
2lwf   |
18624 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lwf
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 860
_Distance_constraint_stats_list.Viol_count 448
_Distance_constraint_stats_list.Viol_total 244.575
_Distance_constraint_stats_list.Viol_max 0.174
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0273
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.165 0.042 15 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.454 0.091 7 0 "[ . 1 . 2]"
1 8 LEU 0.454 0.081 10 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.113 0.039 7 0 "[ . 1 . 2]"
1 11 THR 0.757 0.081 10 0 "[ . 1 . 2]"
1 12 GLU 0.029 0.014 2 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.283 0.053 11 0 "[ . 1 . 2]"
1 15 PRO 0.003 0.003 12 0 "[ . 1 . 2]"
1 16 ILE 0.140 0.046 11 0 "[ . 1 . 2]"
1 17 THR 0.003 0.003 12 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.064 0.064 1 0 "[ . 1 . 2]"
1 21 SER 0.064 0.064 1 0 "[ . 1 . 2]"
1 22 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.007 0.006 8 0 "[ . 1 . 2]"
1 24 SER 0.294 0.056 9 0 "[ . 1 . 2]"
1 25 ALA 0.849 0.108 1 0 "[ . 1 . 2]"
1 26 SER 0.059 0.039 6 0 "[ . 1 . 2]"
1 27 GLY 0.065 0.016 18 0 "[ . 1 . 2]"
1 28 VAL 0.279 0.065 4 0 "[ . 1 . 2]"
1 29 TYR 0.136 0.047 11 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.049 0.027 9 0 "[ . 1 . 2]"
1 32 TYR 0.148 0.055 9 0 "[ . 1 . 2]"
1 33 ASP 0.294 0.050 11 0 "[ . 1 . 2]"
1 34 LYS 0.851 0.174 20 0 "[ . 1 . 2]"
1 35 SER 0.294 0.174 20 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.057 0.027 9 0 "[ . 1 . 2]"
1 39 GLN 1.016 0.124 9 0 "[ . 1 . 2]"
1 40 PHE 0.123 0.054 18 0 "[ . 1 . 2]"
1 41 VAL 0.903 0.115 15 0 "[ . 1 . 2]"
1 42 GLY 0.102 0.022 16 0 "[ . 1 . 2]"
1 43 ILE 0.150 0.029 2 0 "[ . 1 . 2]"
1 44 SER 0.031 0.016 4 0 "[ . 1 . 2]"
1 45 ARG 0.020 0.020 7 0 "[ . 1 . 2]"
1 46 ASN 0.578 0.108 1 0 "[ . 1 . 2]"
1 47 ILE 0.137 0.023 19 0 "[ . 1 . 2]"
1 48 ALA 0.640 0.080 19 0 "[ . 1 . 2]"
1 49 ALA 0.022 0.008 14 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.009 0.009 17 0 "[ . 1 . 2]"
1 52 SER 0.673 0.080 19 0 "[ . 1 . 2]"
1 53 ALA 0.111 0.024 20 0 "[ . 1 . 2]"
1 54 HIS 0.076 0.024 20 0 "[ . 1 . 2]"
1 55 LEU 0.047 0.032 5 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.177 0.047 19 0 "[ . 1 . 2]"
1 58 VAL 0.673 0.131 5 0 "[ . 1 . 2]"
1 59 PRO 0.324 0.061 14 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.614 0.131 5 0 "[ . 1 . 2]"
1 63 GLY 0.157 0.046 11 0 "[ . 1 . 2]"
1 64 SER 0.473 0.053 11 0 "[ . 1 . 2]"
1 65 VAL 0.290 0.055 9 0 "[ . 1 . 2]"
1 66 LYS 0.063 0.020 15 0 "[ . 1 . 2]"
1 67 VAL 0.306 0.047 11 0 "[ . 1 . 2]"
1 68 GLY 0.217 0.065 4 0 "[ . 1 . 2]"
1 69 ILE 0.039 0.039 6 0 "[ . 1 . 2]"
1 70 VAL 0.108 0.034 18 0 "[ . 1 . 2]"
1 71 GLU 0.009 0.009 6 0 "[ . 1 . 2]"
1 72 GLU 0.179 0.060 18 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.366 0.065 11 0 "[ . 1 . 2]"
1 77 VAL 0.001 0.001 9 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLN 0.472 0.065 11 0 "[ . 1 . 2]"
1 81 ALA 0.089 0.013 5 0 "[ . 1 . 2]"
1 82 TRP 0.163 0.043 17 0 "[ . 1 . 2]"
1 83 LYS 0.231 0.125 2 0 "[ . 1 . 2]"
1 84 LEU 0.006 0.006 9 0 "[ . 1 . 2]"
1 85 TRP 0.159 0.042 15 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.209 0.125 2 0 "[ . 1 . 2]"
1 88 GLU 0.002 0.002 1 0 "[ . 1 . 2]"
1 89 HIS 1.853 0.124 9 0 "[ . 1 . 2]"
1 90 ILE 0.812 0.089 20 0 "[ . 1 . 2]"
1 91 LYS 0.161 0.089 20 0 "[ . 1 . 2]"
1 92 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 THR 0.283 0.084 16 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LYS 0.064 0.020 19 0 "[ . 1 . 2]"
1 96 VAL 0.067 0.026 20 0 "[ . 1 . 2]"
1 98 PRO 0.020 0.020 18 0 "[ . 1 . 2]"
1 99 GLY 0.903 0.115 15 0 "[ . 1 . 2]"
1 100 ASN 0.514 0.071 10 0 "[ . 1 . 2]"
1 101 LYS 0.366 0.071 10 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASN 0.008 0.008 13 0 "[ . 1 . 2]"
1 105 ASN 0.184 0.087 17 0 "[ . 1 . 2]"
1 106 THR 0.041 0.028 10 0 "[ . 1 . 2]"
1 107 PHE 0.013 0.013 17 0 "[ . 1 . 2]"
1 108 VAL 0.413 0.075 10 0 "[ . 1 . 2]"
1 109 LYS 0.184 0.087 17 0 "[ . 1 . 2]"
1 110 VAL 0.061 0.045 18 0 "[ . 1 . 2]"
1 111 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLU 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 54 HIS HB2 1 58 VAL H 3.650 . 5.500 4.337 4.055 5.131 . 0 0 "[ . 1 . 2]" 1
2 1 62 CYS HB3 1 64 SER H 4.150 . 6.500 6.023 5.676 6.552 0.052 10 0 "[ . 1 . 2]" 1
3 1 92 VAL H 1 92 VAL HA 2.750 . 3.700 2.875 2.817 2.926 . 0 0 "[ . 1 . 2]" 1
4 1 32 TYR HB3 1 64 SER H 3.650 . 5.500 3.962 3.721 4.221 . 0 0 "[ . 1 . 2]" 1
5 1 83 LYS H 1 83 LYS HA 2.750 . 3.700 2.796 2.755 2.835 . 0 0 "[ . 1 . 2]" 1
6 1 65 VAL H 1 65 VAL HB 2.750 . 3.700 3.249 3.182 3.309 . 0 0 "[ . 1 . 2]" 1
7 1 99 GLY HA3 1 100 ASN H 2.750 . 3.700 2.864 2.679 3.039 . 0 0 "[ . 1 . 2]" 1
8 1 38 LEU HA 1 40 PHE H 3.650 . 5.500 3.603 3.424 3.905 . 0 0 "[ . 1 . 2]" 1
9 1 67 VAL HB 1 68 GLY H 3.650 . 5.500 3.069 2.959 3.244 . 0 0 "[ . 1 . 2]" 1
10 1 46 ASN H 1 46 ASN HB2 3.650 . 5.500 3.187 3.055 3.310 . 0 0 "[ . 1 . 2]" 1
11 1 23 PRO HG2 1 67 VAL H 4.150 . 6.500 5.826 5.598 6.182 . 0 0 "[ . 1 . 2]" 1
12 1 47 ILE HG12 1 68 GLY H 3.650 . 5.500 5.204 5.005 5.506 0.006 6 0 "[ . 1 . 2]" 1
13 1 33 ASP HB3 1 34 LYS H 2.750 . 3.700 3.556 3.413 3.709 0.009 10 0 "[ . 1 . 2]" 1
14 1 44 SER H 1 44 SER HB3 3.650 . 5.500 3.525 2.785 3.943 . 0 0 "[ . 1 . 2]" 1
15 1 7 SER H 1 7 SER HB2 2.750 . 3.700 3.135 2.503 3.771 0.071 5 0 "[ . 1 . 2]" 1
16 1 29 TYR HB2 1 67 VAL H 3.650 . 5.500 5.425 5.250 5.547 0.047 11 0 "[ . 1 . 2]" 1
17 1 89 HIS H 1 89 HIS HB2 2.750 . 3.700 2.404 2.292 2.578 . 0 0 "[ . 1 . 2]" 1
18 1 20 ASP H 1 20 ASP HB3 2.300 . 2.800 2.453 2.324 2.601 . 0 0 "[ . 1 . 2]" 1
19 1 58 VAL H 1 59 PRO HD2 3.650 . 5.500 4.826 4.521 5.009 . 0 0 "[ . 1 . 2]" 1
20 1 7 SER H 1 10 GLU HB3 3.650 . 5.500 4.636 3.861 5.415 . 0 0 "[ . 1 . 2]" 1
21 1 33 ASP HB3 1 64 SER H 4.150 . 6.500 6.081 5.772 6.375 . 0 0 "[ . 1 . 2]" 1
22 1 82 TRP H 1 82 TRP HB2 2.750 . 3.700 2.456 2.401 2.543 . 0 0 "[ . 1 . 2]" 1
23 1 104 ASN H 1 104 ASN HA 2.750 . 3.700 2.908 2.825 2.942 . 0 0 "[ . 1 . 2]" 1
24 1 86 ILE HA 1 89 HIS H 3.650 . 5.500 3.558 3.317 3.736 . 0 0 "[ . 1 . 2]" 1
25 1 58 VAL H 1 58 VAL HB 2.750 . 3.700 3.358 3.173 3.743 0.043 17 0 "[ . 1 . 2]" 1
26 1 103 GLY HA2 1 104 ASN H 3.650 . 5.500 3.055 2.131 3.586 . 0 0 "[ . 1 . 2]" 1
27 1 54 HIS HB3 1 58 VAL H 4.150 . 6.500 5.519 5.274 6.118 . 0 0 "[ . 1 . 2]" 1
28 1 59 PRO HD2 1 60 GLU H 3.650 . 5.500 3.251 2.660 3.643 . 0 0 "[ . 1 . 2]" 1
29 1 87 GLU HA 1 89 HIS H 3.650 . 5.500 4.242 4.035 4.572 . 0 0 "[ . 1 . 2]" 1
30 1 59 PRO HB2 1 60 GLU H 3.650 . 5.500 3.937 3.495 4.215 . 0 0 "[ . 1 . 2]" 1
31 1 89 HIS H 1 89 HIS HB3 2.750 . 3.700 3.391 2.722 3.692 . 0 0 "[ . 1 . 2]" 1
32 1 90 ILE HA 1 92 VAL H 3.650 . 5.500 4.673 4.135 5.095 . 0 0 "[ . 1 . 2]" 1
33 1 33 ASP HB3 1 35 SER H 3.650 . 5.500 4.304 4.164 4.529 . 0 0 "[ . 1 . 2]" 1
34 1 15 PRO HB2 1 65 VAL H 4.150 . 6.500 6.245 5.963 6.462 . 0 0 "[ . 1 . 2]" 1
35 1 32 TYR HB3 1 65 VAL H 4.150 . 6.500 6.392 6.170 6.555 0.055 9 0 "[ . 1 . 2]" 1
36 1 60 GLU H 1 62 CYS HB2 3.650 . 5.500 5.065 4.431 5.389 . 0 0 "[ . 1 . 2]" 1
37 1 68 GLY H 1 68 GLY HA3 2.750 . 3.700 2.445 2.389 2.505 . 0 0 "[ . 1 . 2]" 1
38 1 32 TYR HB2 1 64 SER H 2.750 . 3.700 2.975 2.522 3.403 . 0 0 "[ . 1 . 2]" 1
39 1 47 ILE HA 1 50 SER H 3.650 . 5.500 3.872 3.553 4.095 . 0 0 "[ . 1 . 2]" 1
40 1 104 ASN H 1 104 ASN HB2 2.750 . 3.700 2.820 2.472 3.708 0.008 13 0 "[ . 1 . 2]" 1
41 1 56 LYS H 1 59 PRO HD3 4.150 . 6.500 6.208 5.891 6.488 . 0 0 "[ . 1 . 2]" 1
42 1 100 ASN H 1 100 ASN HB3 2.750 . 3.700 3.018 2.473 3.658 . 0 0 "[ . 1 . 2]" 1
43 1 31 VAL H 1 40 PHE H 2.750 . 3.700 3.399 3.254 3.593 . 0 0 "[ . 1 . 2]" 1
44 1 28 VAL H 1 28 VAL HB 3.650 . 5.500 3.208 2.699 3.685 . 0 0 "[ . 1 . 2]" 1
45 1 40 PHE H 1 41 VAL H 3.650 . 5.500 4.122 3.917 4.308 . 0 0 "[ . 1 . 2]" 1
46 1 20 ASP H 1 21 SER H 2.750 . 3.700 2.538 2.367 2.753 . 0 0 "[ . 1 . 2]" 1
47 1 16 ILE H 1 64 SER H 3.650 . 5.500 4.737 4.374 5.051 . 0 0 "[ . 1 . 2]" 1
48 1 39 GLN H 1 40 PHE H 2.750 . 3.700 2.024 1.888 2.181 . 0 0 "[ . 1 . 2]" 1
49 1 34 LYS H 1 34 LYS HG2 2.750 . 3.700 2.739 1.800 3.814 0.114 18 0 "[ . 1 . 2]" 1
50 1 83 LYS H 1 83 LYS HG3 3.650 . 5.500 4.037 2.332 4.509 . 0 0 "[ . 1 . 2]" 1
51 1 7 SER H 1 8 LEU H 3.650 . 5.500 4.419 4.227 4.554 . 0 0 "[ . 1 . 2]" 1
52 1 56 LYS H 1 58 VAL H 3.650 . 5.500 4.150 3.788 4.471 . 0 0 "[ . 1 . 2]" 1
53 1 28 VAL H 1 68 GLY H 3.650 . 5.500 3.249 2.946 3.447 . 0 0 "[ . 1 . 2]" 1
54 1 55 LEU H 1 58 VAL H 3.650 . 5.500 4.646 4.499 4.776 . 0 0 "[ . 1 . 2]" 1
55 1 20 ASP H 1 22 ILE H 3.650 . 5.500 4.082 3.912 4.329 . 0 0 "[ . 1 . 2]" 1
56 1 68 GLY H 1 85 TRP HZ2 3.650 . 5.500 4.126 3.757 4.484 . 0 0 "[ . 1 . 2]" 1
57 1 19 ALA H 1 20 ASP H 3.650 . 5.500 2.710 2.553 2.947 . 0 0 "[ . 1 . 2]" 1
58 1 57 SER H 1 58 VAL H 2.750 . 2.800 2.465 2.240 2.731 . 0 0 "[ . 1 . 2]" 1
59 1 54 HIS H 1 56 LYS H 3.650 . 5.500 4.219 4.120 4.332 . 0 0 "[ . 1 . 2]" 1
60 1 43 ILE H 1 44 SER H 3.650 . 5.500 4.405 4.347 4.471 . 0 0 "[ . 1 . 2]" 1
61 1 107 PHE H 1 107 PHE HB3 3.650 . 5.500 3.633 3.599 3.672 . 0 0 "[ . 1 . 2]" 1
62 1 107 PHE H 1 107 PHE HB2 2.750 . 3.700 2.463 2.373 2.635 . 0 0 "[ . 1 . 2]" 1
63 1 55 LEU H 1 56 LYS H 2.750 . 3.700 2.491 2.422 2.534 . 0 0 "[ . 1 . 2]" 1
64 1 92 VAL H 1 93 THR H 2.750 . 3.700 2.663 2.394 2.976 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU MD1 1 89 HIS H 3.650 . 5.500 3.755 2.868 5.356 . 0 0 "[ . 1 . 2]" 1
66 1 43 ILE MD 1 82 TRP H 3.650 . 5.500 4.778 4.088 5.157 . 0 0 "[ . 1 . 2]" 1
67 1 108 VAL H 1 108 VAL MG2 2.300 . 2.800 2.203 1.906 2.463 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU MD2 1 89 HIS H 4.150 . 6.500 5.879 5.034 6.577 0.077 9 0 "[ . 1 . 2]" 1
69 1 14 LEU MD2 1 65 VAL H 3.650 . 5.500 4.924 4.686 5.152 . 0 0 "[ . 1 . 2]" 1
70 1 67 VAL H 1 67 VAL MG2 2.300 . 2.800 2.184 2.092 2.296 . 0 0 "[ . 1 . 2]" 1
71 1 107 PHE H 1 108 VAL MG2 3.650 . 5.500 3.675 3.278 3.830 . 0 0 "[ . 1 . 2]" 1
72 1 106 THR MG 1 107 PHE H 3.650 . 5.500 3.968 3.717 4.399 . 0 0 "[ . 1 . 2]" 1
73 1 43 ILE MD 1 83 LYS H 4.150 . 6.500 5.906 5.537 6.197 . 0 0 "[ . 1 . 2]" 1
74 1 50 SER H 1 51 VAL MG2 3.650 . 5.500 4.202 3.935 4.397 . 0 0 "[ . 1 . 2]" 1
75 1 47 ILE MG 1 67 VAL H 3.650 . 5.500 5.459 5.324 5.523 0.023 19 0 "[ . 1 . 2]" 1
76 1 38 LEU MD1 1 89 HIS H 3.650 . 5.500 4.030 3.445 4.599 . 0 0 "[ . 1 . 2]" 1
77 1 111 THR H 1 111 THR MG 3.650 . 5.500 3.578 2.183 3.992 . 0 0 "[ . 1 . 2]" 1
78 1 89 HIS H 1 90 ILE HB 4.150 . 6.500 4.827 4.557 6.174 . 0 0 "[ . 1 . 2]" 1
79 1 81 ALA MB 1 82 TRP H 2.300 . 2.800 2.453 2.291 2.616 . 0 0 "[ . 1 . 2]" 1
80 1 79 THR MG 1 83 LYS H 3.650 . 5.500 3.975 3.651 4.219 . 0 0 "[ . 1 . 2]" 1
81 1 49 ALA MB 1 50 SER H 2.300 . 2.800 2.453 2.197 2.718 . 0 0 "[ . 1 . 2]" 1
82 1 107 PHE HB2 1 108 VAL H 3.650 . 5.500 3.152 2.516 3.617 . 0 0 "[ . 1 . 2]" 1
83 1 58 VAL MG1 1 60 GLU H 3.650 . 5.500 3.651 3.406 4.087 . 0 0 "[ . 1 . 2]" 1
84 1 65 VAL H 1 65 VAL MG1 2.300 . 2.800 2.336 2.269 2.390 . 0 0 "[ . 1 . 2]" 1
85 1 58 VAL MG2 1 60 GLU H 3.650 . 5.500 2.329 2.059 4.092 . 0 0 "[ . 1 . 2]" 1
86 1 107 PHE HB3 1 108 VAL H 3.650 . 5.500 3.966 3.271 4.352 . 0 0 "[ . 1 . 2]" 1
87 1 7 SER H 1 85 TRP HE1 3.650 . 5.500 3.953 3.296 4.781 . 0 0 "[ . 1 . 2]" 1
88 1 92 VAL H 1 93 THR HA 3.650 . 5.500 5.202 4.985 5.322 . 0 0 "[ . 1 . 2]" 1
89 1 7 SER H 1 7 SER HB3 2.750 . 3.700 3.390 2.693 3.791 0.091 7 0 "[ . 1 . 2]" 1
90 1 54 HIS HA 1 56 LYS H 3.650 . 5.500 4.058 3.854 4.321 . 0 0 "[ . 1 . 2]" 1
91 1 56 LYS H 1 57 SER HA 3.650 . 5.500 4.972 4.888 5.070 . 0 0 "[ . 1 . 2]" 1
92 1 28 VAL H 1 67 VAL HB 3.650 . 5.500 5.362 4.971 5.532 0.032 15 0 "[ . 1 . 2]" 1
93 1 34 LYS H 1 34 LYS HB3 2.750 . 3.700 3.494 2.820 3.669 . 0 0 "[ . 1 . 2]" 1
94 1 57 SER HA 1 58 VAL H 3.650 . 5.500 3.568 3.448 3.650 . 0 0 "[ . 1 . 2]" 1
95 1 20 ASP H 1 20 ASP HA 2.750 . 3.700 2.850 2.783 2.884 . 0 0 "[ . 1 . 2]" 1
96 1 44 SER H 1 44 SER HA 2.750 . 3.700 2.886 2.852 2.908 . 0 0 "[ . 1 . 2]" 1
97 1 34 LYS H 1 34 LYS HB2 2.750 . 3.700 2.700 2.431 3.595 . 0 0 "[ . 1 . 2]" 1
98 1 32 TYR HB3 1 34 LYS H 4.150 . 6.500 6.203 5.950 6.453 . 0 0 "[ . 1 . 2]" 1
99 1 34 LYS HB2 1 35 SER H 2.750 . 3.700 3.098 2.529 3.874 0.174 20 0 "[ . 1 . 2]" 1
100 1 63 GLY HA3 1 64 SER H 2.750 . 3.700 2.503 2.340 2.705 . 0 0 "[ . 1 . 2]" 1
101 1 45 ARG HB3 1 46 ASN H 3.650 . 5.500 3.180 2.590 4.204 . 0 0 "[ . 1 . 2]" 1
102 1 19 ALA HA 1 20 ASP H 2.750 . 3.700 3.435 3.384 3.545 . 0 0 "[ . 1 . 2]" 1
103 1 58 VAL H 1 59 PRO HD3 2.750 . 3.700 3.592 3.315 3.761 0.061 14 0 "[ . 1 . 2]" 1
104 1 67 VAL H 1 67 VAL HB 3.650 . 5.500 3.836 3.796 3.878 . 0 0 "[ . 1 . 2]" 1
105 1 107 PHE H 1 108 VAL HB 4.150 . 6.500 5.616 4.576 6.227 . 0 0 "[ . 1 . 2]" 1
106 1 40 PHE H 1 40 PHE HA 2.750 . 3.700 2.905 2.876 2.941 . 0 0 "[ . 1 . 2]" 1
107 1 31 VAL HA 1 40 PHE H 3.650 . 5.500 5.158 5.028 5.277 . 0 0 "[ . 1 . 2]" 1
108 1 39 GLN HA 1 40 PHE H 3.650 . 5.500 3.472 3.372 3.576 . 0 0 "[ . 1 . 2]" 1
109 1 64 SER H 1 64 SER HB2 3.650 . 5.500 3.765 2.952 4.008 . 0 0 "[ . 1 . 2]" 1
110 1 32 TYR HB3 1 35 SER H 4.150 . 6.500 5.796 5.374 6.332 . 0 0 "[ . 1 . 2]" 1
111 1 88 GLU HG2 1 89 HIS H 3.650 . 5.500 4.037 2.892 5.021 . 0 0 "[ . 1 . 2]" 1
112 1 40 PHE H 1 40 PHE HD1 3.650 . 5.500 5.192 5.108 5.302 . 0 0 "[ . 1 . 2]" 1
113 1 29 TYR HA 1 68 GLY H 3.650 . 5.500 3.045 2.886 3.244 . 0 0 "[ . 1 . 2]" 1
114 1 110 VAL HB 1 111 THR H 3.650 . 5.500 3.706 2.020 4.470 . 0 0 "[ . 1 . 2]" 1
115 1 64 SER H 1 65 VAL HA 3.650 . 5.500 4.514 4.432 4.615 . 0 0 "[ . 1 . 2]" 1
116 1 108 VAL H 1 108 VAL HB 2.750 . 3.700 3.288 2.530 3.775 0.075 10 0 "[ . 1 . 2]" 1
117 1 68 GLY H 1 85 TRP HH2 3.650 . 5.500 2.241 2.004 2.461 . 0 0 "[ . 1 . 2]" 1
118 1 11 THR MG 1 67 VAL H 2.300 . 2.800 2.615 2.468 2.805 0.005 6 0 "[ . 1 . 2]" 1
119 1 62 CYS H 1 64 SER H 4.150 . 6.500 6.248 6.018 6.497 . 0 0 "[ . 1 . 2]" 1
120 1 60 GLU H 1 61 LEU HG 3.650 . 5.500 4.724 4.524 4.998 . 0 0 "[ . 1 . 2]" 1
121 1 32 TYR QD 1 64 SER H 3.650 . 5.500 4.733 4.214 5.146 . 0 0 "[ . 1 . 2]" 1
122 1 84 LEU H 1 84 LEU HB2 2.300 . 2.800 2.477 2.278 2.606 . 0 0 "[ . 1 . 2]" 1
123 1 32 TYR HA 1 40 PHE H 3.650 . 5.500 4.593 4.418 4.705 . 0 0 "[ . 1 . 2]" 1
124 1 30 ALA HA 1 40 PHE H 3.650 . 5.500 4.941 4.676 5.284 . 0 0 "[ . 1 . 2]" 1
125 1 68 GLY H 1 68 GLY HA2 2.750 . 3.700 2.928 2.912 2.940 . 0 0 "[ . 1 . 2]" 1
126 1 34 LYS HA 1 64 SER H 3.650 . 5.500 5.150 4.571 5.508 0.008 10 0 "[ . 1 . 2]" 1
127 1 63 GLY HA2 1 64 SER H 2.750 . 3.700 3.537 3.474 3.568 . 0 0 "[ . 1 . 2]" 1
128 1 43 ILE HA 1 44 SER H 2.300 . 2.800 2.245 2.137 2.310 . 0 0 "[ . 1 . 2]" 1
129 1 5 VAL H 1 5 VAL HB 2.300 . 2.800 2.618 2.406 2.805 0.005 8 0 "[ . 1 . 2]" 1
130 1 67 VAL HA 1 68 GLY H 2.300 . 2.800 2.156 2.089 2.230 . 0 0 "[ . 1 . 2]" 1
131 1 64 SER H 1 64 SER HA 2.750 . 3.700 2.835 2.806 2.896 . 0 0 "[ . 1 . 2]" 1
132 1 100 ASN H 1 100 ASN HB2 2.750 . 3.700 2.521 2.327 2.911 . 0 0 "[ . 1 . 2]" 1
133 1 28 VAL HA 1 44 SER H 3.650 . 5.500 3.507 3.177 3.802 . 0 0 "[ . 1 . 2]" 1
134 1 17 THR H 1 17 THR HA 2.750 . 3.700 2.817 2.787 2.855 . 0 0 "[ . 1 . 2]" 1
135 1 46 ASN HA 1 46 ASN HD21 3.650 . 5.500 3.211 2.037 3.962 . 0 0 "[ . 1 . 2]" 1
136 1 17 THR H 1 64 SER HA 3.650 . 5.500 5.126 4.804 5.414 . 0 0 "[ . 1 . 2]" 1
137 1 17 THR H 1 17 THR HB 3.650 . 5.500 2.981 2.553 3.488 . 0 0 "[ . 1 . 2]" 1
138 1 16 ILE HA 1 17 THR H 2.750 . 3.700 3.332 3.276 3.412 . 0 0 "[ . 1 . 2]" 1
139 1 24 SER HB2 1 46 ASN HD21 3.650 . 5.500 3.605 2.593 4.472 . 0 0 "[ . 1 . 2]" 1
140 1 24 SER HA 1 46 ASN HD22 3.650 . 5.500 2.995 2.329 3.330 . 0 0 "[ . 1 . 2]" 1
141 1 46 ASN HA 1 46 ASN HD22 3.650 . 5.500 4.073 3.577 4.494 . 0 0 "[ . 1 . 2]" 1
142 1 80 GLN HE21 1 84 LEU MD2 3.650 . 5.500 4.388 3.382 5.506 0.006 9 0 "[ . 1 . 2]" 1
143 1 8 LEU MD2 1 9 THR H 3.650 . 5.500 4.714 4.385 4.814 . 0 0 "[ . 1 . 2]" 1
144 1 57 SER H 1 58 VAL MG2 4.150 . 6.500 5.753 4.039 6.054 . 0 0 "[ . 1 . 2]" 1
145 1 57 SER H 1 58 VAL MG1 3.650 . 5.500 4.207 3.833 4.928 . 0 0 "[ . 1 . 2]" 1
146 1 16 ILE H 1 17 THR H 2.750 . 3.700 2.572 2.423 2.781 . 0 0 "[ . 1 . 2]" 1
147 1 17 THR H 1 18 GLU H 2.750 . 3.700 2.499 2.369 2.617 . 0 0 "[ . 1 . 2]" 1
148 1 82 TRP HE1 1 100 ASN HD21 3.650 . 5.500 3.785 2.321 5.543 0.043 17 0 "[ . 1 . 2]" 1
149 1 82 TRP HE1 1 100 ASN HD22 3.650 . 5.500 3.210 2.315 5.509 0.009 11 0 "[ . 1 . 2]" 1
150 1 17 THR H 1 17 THR MG 2.300 . 2.800 2.255 1.912 2.649 . 0 0 "[ . 1 . 2]" 1
151 1 46 ASN HD22 1 48 ALA MB 2.750 . 3.700 3.095 2.258 3.705 0.005 11 0 "[ . 1 . 2]" 1
152 1 41 VAL H 1 100 ASN HD22 3.650 . 3.700 2.842 2.118 3.708 0.008 2 0 "[ . 1 . 2]" 1
153 1 93 THR H 1 94 GLY H 2.300 . 2.800 2.012 1.883 2.268 . 0 0 "[ . 1 . 2]" 1
154 1 24 SER HB2 1 46 ASN HD22 3.650 . 3.700 2.402 1.975 2.983 . 0 0 "[ . 1 . 2]" 1
155 1 46 ASN HB3 1 46 ASN HD21 2.750 . 3.700 2.982 2.158 3.587 . 0 0 "[ . 1 . 2]" 1
156 1 24 SER HB3 1 46 ASN HD21 3.650 . 5.500 4.495 3.872 4.938 . 0 0 "[ . 1 . 2]" 1
157 1 24 SER HB3 1 46 ASN HD22 3.650 . 5.500 3.072 2.592 3.457 . 0 0 "[ . 1 . 2]" 1
158 1 15 PRO HG2 1 17 THR H 3.650 . 5.500 5.212 4.943 5.503 0.003 12 0 "[ . 1 . 2]" 1
159 1 15 PRO HB3 1 17 THR H 3.650 . 5.500 3.572 3.391 3.863 . 0 0 "[ . 1 . 2]" 1
160 1 46 ASN HB3 1 46 ASN HD22 3.650 . 5.500 3.814 3.451 4.083 . 0 0 "[ . 1 . 2]" 1
161 1 15 PRO HB2 1 17 THR H 3.650 . 5.500 2.890 2.654 3.180 . 0 0 "[ . 1 . 2]" 1
162 1 57 SER H 1 106 THR MG 4.150 . 6.500 5.705 4.659 6.528 0.028 10 0 "[ . 1 . 2]" 1
163 1 9 THR H 1 9 THR HB 2.750 . 3.700 2.574 2.293 2.709 . 0 0 "[ . 1 . 2]" 1
164 1 9 THR H 1 9 THR HA 2.750 . 3.700 2.789 2.748 2.830 . 0 0 "[ . 1 . 2]" 1
165 1 94 GLY H 1 94 GLY HA2 2.300 . 2.800 2.329 2.272 2.407 . 0 0 "[ . 1 . 2]" 1
166 1 90 ILE HA 1 94 GLY H 2.750 . 3.700 2.832 2.314 3.517 . 0 0 "[ . 1 . 2]" 1
167 1 33 ASP HB2 1 39 GLN HE22 3.650 . 5.500 3.973 3.421 4.902 . 0 0 "[ . 1 . 2]" 1
168 1 62 CYS HB2 1 63 GLY H 3.650 . 5.500 4.479 4.335 4.613 . 0 0 "[ . 1 . 2]" 1
169 1 54 HIS HB2 1 57 SER H 3.650 . 5.500 4.909 4.641 5.327 . 0 0 "[ . 1 . 2]" 1
170 1 33 ASP HB2 1 39 GLN HE21 3.650 . 5.500 4.080 3.573 5.026 . 0 0 "[ . 1 . 2]" 1
171 1 57 SER H 1 57 SER HA 2.750 . 3.700 2.879 2.836 2.918 . 0 0 "[ . 1 . 2]" 1
172 1 39 GLN HA 1 39 GLN HE21 4.150 . 6.500 4.504 3.043 4.950 . 0 0 "[ . 1 . 2]" 1
173 1 9 THR H 1 10 GLU HA 3.650 . 5.500 5.274 5.147 5.394 . 0 0 "[ . 1 . 2]" 1
174 1 54 HIS HA 1 57 SER H 3.650 . 5.500 3.085 2.867 3.422 . 0 0 "[ . 1 . 2]" 1
175 1 33 ASP HB2 1 63 GLY H 4.150 . 6.500 5.325 4.976 5.878 . 0 0 "[ . 1 . 2]" 1
176 1 63 GLY H 1 63 GLY HA3 2.750 . 3.700 2.567 2.484 2.723 . 0 0 "[ . 1 . 2]" 1
177 1 39 GLN HA 1 39 GLN HE22 4.150 . 6.500 5.363 4.558 5.918 . 0 0 "[ . 1 . 2]" 1
178 1 16 ILE HA 1 63 GLY H 4.150 . 6.500 6.229 5.457 6.546 0.046 11 0 "[ . 1 . 2]" 1
179 1 9 THR H 1 88 GLU HG2 4.150 . 6.500 5.447 4.325 6.196 . 0 0 "[ . 1 . 2]" 1
180 1 32 TYR HB3 1 63 GLY H 4.150 . 6.500 5.738 5.320 6.193 . 0 0 "[ . 1 . 2]" 1
181 1 62 CYS HB3 1 63 GLY H 3.650 . 5.500 3.941 3.465 4.376 . 0 0 "[ . 1 . 2]" 1
182 1 76 ALA MB 1 80 GLN HE21 4.150 . 6.500 6.371 5.290 6.565 0.065 11 0 "[ . 1 . 2]" 1
183 1 8 LEU HG 1 9 THR H 3.650 . 5.500 4.737 4.457 5.231 . 0 0 "[ . 1 . 2]" 1
184 1 80 GLN HE22 1 80 GLN HG3 3.650 . 5.500 3.868 3.459 4.066 . 0 0 "[ . 1 . 2]" 1
185 1 9 THR H 1 11 THR MG 4.150 . 6.500 6.167 5.987 6.355 . 0 0 "[ . 1 . 2]" 1
186 1 57 SER H 1 59 PRO HD2 4.150 . 6.500 6.477 6.205 6.547 0.047 19 0 "[ . 1 . 2]" 1
187 1 54 HIS HB3 1 57 SER H 4.150 . 6.500 5.407 5.155 5.740 . 0 0 "[ . 1 . 2]" 1
188 1 33 ASP HB3 1 63 GLY H 4.150 . 6.500 5.649 5.147 6.309 . 0 0 "[ . 1 . 2]" 1
189 1 8 LEU HA 1 9 THR H 3.650 . 5.500 3.427 3.305 3.551 . 0 0 "[ . 1 . 2]" 1
190 1 105 ASN HB2 1 105 ASN HD22 3.650 . 5.500 3.682 3.441 4.094 . 0 0 "[ . 1 . 2]" 1
191 1 105 ASN HB3 1 105 ASN HD22 3.650 . 5.500 3.789 3.470 4.084 . 0 0 "[ . 1 . 2]" 1
192 1 89 HIS H 1 92 VAL MG1 4.150 . 6.500 4.747 3.815 5.633 . 0 0 "[ . 1 . 2]" 1
193 1 91 LYS H 1 92 VAL H 2.750 . 3.700 2.672 2.493 2.810 . 0 0 "[ . 1 . 2]" 1
194 1 16 ILE MG 1 65 VAL H 3.650 . 5.500 3.312 3.123 3.481 . 0 0 "[ . 1 . 2]" 1
195 1 28 VAL H 1 47 ILE MD 3.650 . 3.700 2.918 2.664 3.129 . 0 0 "[ . 1 . 2]" 1
196 1 61 LEU HA 1 62 CYS H 2.750 . 3.700 3.017 2.961 3.121 . 0 0 "[ . 1 . 2]" 1
197 1 18 GLU HA 1 20 ASP H 3.650 . 5.500 3.246 3.077 3.708 . 0 0 "[ . 1 . 2]" 1
198 1 54 HIS HA 1 58 VAL H 3.650 . 5.500 3.712 3.487 4.105 . 0 0 "[ . 1 . 2]" 1
199 1 88 GLU H 1 88 GLU HG2 3.650 . 3.700 2.526 2.097 3.702 0.002 1 0 "[ . 1 . 2]" 1
200 1 24 SER H 1 24 SER HB3 2.750 . 3.700 2.914 2.708 3.023 . 0 0 "[ . 1 . 2]" 1
201 1 46 ASN HB2 1 47 ILE H 3.650 . 5.500 4.472 4.322 4.620 . 0 0 "[ . 1 . 2]" 1
202 1 71 GLU H 1 71 GLU HB3 3.650 . 3.700 3.605 3.548 3.669 . 0 0 "[ . 1 . 2]" 1
203 1 46 ASN H 1 46 ASN HB3 3.650 . 5.500 2.815 2.648 2.975 . 0 0 "[ . 1 . 2]" 1
204 1 60 GLU H 1 60 GLU HB2 2.300 . 2.800 2.498 2.384 2.600 . 0 0 "[ . 1 . 2]" 1
205 1 72 GLU H 1 72 GLU HB3 2.750 . 3.700 3.472 2.903 3.760 0.060 18 0 "[ . 1 . 2]" 1
206 1 95 LYS HB3 1 96 VAL H 2.750 . 3.700 3.504 3.071 3.711 0.011 3 0 "[ . 1 . 2]" 1
207 1 44 SER HB3 1 46 ASN H 3.650 . 5.500 2.850 2.161 3.627 . 0 0 "[ . 1 . 2]" 1
208 1 46 ASN H 1 49 ALA MB 3.650 . 5.500 4.603 4.002 5.505 0.005 19 0 "[ . 1 . 2]" 1
209 1 56 LYS HA 1 58 VAL H 3.650 . 5.500 4.513 4.079 4.837 . 0 0 "[ . 1 . 2]" 1
210 1 36 ASP H 1 37 GLU H 2.750 . 3.700 2.604 2.419 2.850 . 0 0 "[ . 1 . 2]" 1
211 1 15 PRO HD3 1 18 GLU H 4.150 . 6.500 5.943 5.617 6.308 . 0 0 "[ . 1 . 2]" 1
212 1 16 ILE MG 1 64 SER H 3.650 . 5.500 3.048 2.951 3.243 . 0 0 "[ . 1 . 2]" 1
213 1 52 SER HA 1 56 LYS H 3.650 . 5.500 3.988 3.510 4.364 . 0 0 "[ . 1 . 2]" 1
214 1 83 LYS HA 1 84 LEU H 2.750 . 3.700 3.559 3.520 3.593 . 0 0 "[ . 1 . 2]" 1
215 1 54 HIS H 1 54 HIS HB3 2.750 . 3.700 2.942 2.685 3.070 . 0 0 "[ . 1 . 2]" 1
216 1 44 SER H 1 44 SER HB2 2.750 . 3.700 3.075 2.845 3.432 . 0 0 "[ . 1 . 2]" 1
217 1 18 GLU HG2 1 21 SER H 4.150 . 6.500 5.482 5.253 6.276 . 0 0 "[ . 1 . 2]" 1
218 1 92 VAL MG1 1 93 THR H 3.650 . 5.500 3.157 1.855 4.207 . 0 0 "[ . 1 . 2]" 1
219 1 34 LYS H 1 34 LYS HG3 3.650 . 5.500 3.381 2.151 3.917 . 0 0 "[ . 1 . 2]" 1
220 1 62 CYS HA 1 64 SER H 3.650 . 5.500 4.322 4.019 4.631 . 0 0 "[ . 1 . 2]" 1
221 1 52 SER H 1 52 SER HB2 2.750 . 3.700 2.685 2.443 3.584 . 0 0 "[ . 1 . 2]" 1
222 1 88 GLU HG3 1 89 HIS H 3.650 . 5.500 4.013 1.977 5.023 . 0 0 "[ . 1 . 2]" 1
223 1 42 GLY H 1 82 TRP HE1 3.650 . 5.500 4.369 4.011 4.740 . 0 0 "[ . 1 . 2]" 1
224 1 92 VAL HB 1 93 THR H 3.650 . 5.500 4.033 3.795 4.194 . 0 0 "[ . 1 . 2]" 1
225 1 100 ASN HB3 1 100 ASN HD22 3.650 . 5.500 3.742 3.475 4.052 . 0 0 "[ . 1 . 2]" 1
226 1 26 SER H 1 27 GLY H 3.650 . 5.500 4.492 4.412 4.560 . 0 0 "[ . 1 . 2]" 1
227 1 27 GLY H 1 29 TYR HD2 3.650 . 5.500 5.366 5.160 5.515 0.015 3 0 "[ . 1 . 2]" 1
228 1 100 ASN HB2 1 100 ASN HD22 3.650 . 5.500 3.824 3.428 4.100 . 0 0 "[ . 1 . 2]" 1
229 1 86 ILE MD 1 100 ASN HD21 3.650 . 5.500 3.230 2.347 4.044 . 0 0 "[ . 1 . 2]" 1
230 1 100 ASN HA 1 100 ASN HD22 3.650 . 5.500 3.825 3.265 4.562 . 0 0 "[ . 1 . 2]" 1
231 1 93 THR H 1 93 THR HA 2.750 . 3.700 2.917 2.886 2.956 . 0 0 "[ . 1 . 2]" 1
232 1 100 ASN HA 1 100 ASN HD21 3.650 . 5.500 2.879 1.773 4.406 0.027 3 0 "[ . 1 . 2]" 1
233 1 92 VAL HA 1 93 THR H 2.750 . 3.700 3.549 3.415 3.656 . 0 0 "[ . 1 . 2]" 1
234 1 90 ILE HA 1 93 THR H 3.650 . 5.500 4.132 3.502 4.599 . 0 0 "[ . 1 . 2]" 1
235 1 40 PHE HA 1 100 ASN HD22 3.650 . 5.500 3.978 2.546 5.165 . 0 0 "[ . 1 . 2]" 1
236 1 93 THR H 1 93 THR HB 2.750 . 3.700 3.547 3.268 3.784 0.084 16 0 "[ . 1 . 2]" 1
237 1 99 GLY H 1 99 GLY HA2 2.750 . 3.700 2.833 2.772 2.906 . 0 0 "[ . 1 . 2]" 1
238 1 98 PRO HA 1 99 GLY H 2.750 . 3.700 3.503 3.346 3.570 . 0 0 "[ . 1 . 2]" 1
239 1 99 GLY H 1 101 LYS H 3.650 . 5.500 3.831 3.505 3.978 . 0 0 "[ . 1 . 2]" 1
240 1 99 GLY H 1 100 ASN HA 3.650 . 5.500 5.272 5.159 5.386 . 0 0 "[ . 1 . 2]" 1
241 1 98 PRO HB3 1 99 GLY H 3.650 . 5.500 4.124 3.902 4.370 . 0 0 "[ . 1 . 2]" 1
242 1 40 PHE HB2 1 99 GLY H 3.650 . 5.500 5.348 5.094 5.554 0.054 18 0 "[ . 1 . 2]" 1
243 1 99 GLY H 1 99 GLY HA3 2.750 . 3.700 2.302 2.271 2.370 . 0 0 "[ . 1 . 2]" 1
244 1 99 GLY H 1 100 ASN HB3 4.150 . 6.500 5.542 4.880 6.405 . 0 0 "[ . 1 . 2]" 1
245 1 26 SER HA 1 27 GLY H 2.300 . 2.800 2.253 2.182 2.370 . 0 0 "[ . 1 . 2]" 1
246 1 27 GLY H 1 45 ARG HA 3.650 . 5.500 3.718 2.621 4.311 . 0 0 "[ . 1 . 2]" 1
247 1 27 GLY H 1 28 VAL HA 3.650 . 5.500 4.632 4.503 4.800 . 0 0 "[ . 1 . 2]" 1
248 1 27 GLY H 1 27 GLY HA2 2.750 . 3.700 2.681 2.619 2.727 . 0 0 "[ . 1 . 2]" 1
249 1 27 GLY H 1 47 ILE MD 2.750 . 3.700 3.358 3.161 3.586 . 0 0 "[ . 1 . 2]" 1
250 1 99 GLY H 1 100 ASN H 2.750 . 3.700 2.651 2.452 2.821 . 0 0 "[ . 1 . 2]" 1
251 1 27 GLY H 1 46 ASN HA 3.650 . 5.500 5.276 4.754 5.516 0.016 18 0 "[ . 1 . 2]" 1
252 1 27 GLY H 1 27 GLY HA3 2.750 . 3.700 2.849 2.820 2.876 . 0 0 "[ . 1 . 2]" 1
253 1 7 SER HA 1 9 THR H 3.650 . 5.500 4.273 3.997 4.627 . 0 0 "[ . 1 . 2]" 1
254 1 43 ILE H 1 82 TRP HD1 3.650 . 5.500 3.633 3.169 3.923 . 0 0 "[ . 1 . 2]" 1
255 1 106 THR H 1 107 PHE QD 3.650 . 5.500 4.222 3.385 5.221 . 0 0 "[ . 1 . 2]" 1
256 1 25 ALA H 1 26 SER H 3.650 . 5.500 4.403 4.290 4.486 . 0 0 "[ . 1 . 2]" 1
257 1 29 TYR HE2 1 43 ILE H 3.650 . 5.500 4.461 3.937 4.962 . 0 0 "[ . 1 . 2]" 1
258 1 28 VAL HA 1 42 GLY H 3.650 . 5.500 4.615 4.463 4.707 . 0 0 "[ . 1 . 2]" 1
259 1 26 SER H 1 26 SER HA 2.750 . 3.700 2.906 2.892 2.916 . 0 0 "[ . 1 . 2]" 1
260 1 105 ASN HA 1 106 THR H 3.650 . 5.500 2.950 2.151 3.574 . 0 0 "[ . 1 . 2]" 1
261 1 30 ALA HA 1 42 GLY H 3.650 . 5.500 3.623 3.348 3.799 . 0 0 "[ . 1 . 2]" 1
262 1 106 THR H 1 108 VAL H 3.650 . 5.500 4.277 3.737 4.699 . 0 0 "[ . 1 . 2]" 1
263 1 52 SER H 1 53 ALA H 2.750 . 2.800 2.759 2.699 2.813 0.013 14 0 "[ . 1 . 2]" 1
264 1 42 GLY H 1 43 ILE H 3.650 . 5.500 4.320 4.269 4.383 . 0 0 "[ . 1 . 2]" 1
265 1 61 LEU H 1 62 CYS H 2.300 . 2.800 2.538 2.333 2.786 . 0 0 "[ . 1 . 2]" 1
266 1 42 GLY H 1 82 TRP HD1 3.650 . 5.500 3.553 3.406 3.765 . 0 0 "[ . 1 . 2]" 1
267 1 19 ALA H 1 21 SER H 3.650 . 5.500 4.174 3.926 4.385 . 0 0 "[ . 1 . 2]" 1
268 1 21 SER H 1 22 ILE H 2.300 . 2.800 2.427 2.222 2.575 . 0 0 "[ . 1 . 2]" 1
269 1 79 THR H 1 79 THR HB 2.300 . 2.800 2.574 2.540 2.607 . 0 0 "[ . 1 . 2]" 1
270 1 21 SER H 1 22 ILE HA 3.650 . 5.500 4.778 4.602 4.951 . 0 0 "[ . 1 . 2]" 1
271 1 36 ASP H 1 36 ASP HA 2.300 . 2.800 2.232 2.155 2.277 . 0 0 "[ . 1 . 2]" 1
272 1 18 GLU HA 1 21 SER H 3.650 . 5.500 3.976 3.651 4.404 . 0 0 "[ . 1 . 2]" 1
273 1 62 CYS H 1 62 CYS HA 2.750 . 3.700 2.851 2.823 2.878 . 0 0 "[ . 1 . 2]" 1
274 1 106 THR H 1 106 THR HB 2.750 . 3.700 2.729 2.485 3.393 . 0 0 "[ . 1 . 2]" 1
275 1 42 GLY HA2 1 43 ILE H 2.750 . 3.700 2.301 2.156 2.431 . 0 0 "[ . 1 . 2]" 1
276 1 33 ASP HA 1 62 CYS H 3.650 . 5.500 4.162 3.870 4.541 . 0 0 "[ . 1 . 2]" 1
277 1 41 VAL HA 1 42 GLY H 2.300 . 2.800 2.245 2.193 2.325 . 0 0 "[ . 1 . 2]" 1
278 1 25 ALA HA 1 26 SER H 2.300 . 2.800 2.620 2.501 2.701 . 0 0 "[ . 1 . 2]" 1
279 1 32 TYR HA 1 36 ASP H 4.150 . 6.500 5.332 5.204 5.550 . 0 0 "[ . 1 . 2]" 1
280 1 26 SER H 1 69 ILE HA 4.150 . 6.500 5.180 4.585 5.566 . 0 0 "[ . 1 . 2]" 1
281 1 35 SER HA 1 36 ASP H 2.750 . 3.700 3.252 3.132 3.331 . 0 0 "[ . 1 . 2]" 1
282 1 26 SER H 1 45 ARG HA 3.650 . 5.500 5.045 4.723 5.520 0.020 7 0 "[ . 1 . 2]" 1
283 1 26 SER H 1 46 ASN HA 3.650 . 5.500 4.697 4.394 4.974 . 0 0 "[ . 1 . 2]" 1
284 1 35 SER H 1 36 ASP H 2.300 . 2.800 2.478 2.310 2.676 . 0 0 "[ . 1 . 2]" 1
285 1 31 VAL HB 1 40 PHE H 2.750 . 3.700 3.119 2.803 3.510 . 0 0 "[ . 1 . 2]" 1
286 1 39 GLN HB2 1 40 PHE H 2.750 . 3.700 3.229 2.773 3.491 . 0 0 "[ . 1 . 2]" 1
287 1 91 LYS HG2 1 92 VAL H 3.650 . 5.500 4.705 2.625 5.236 . 0 0 "[ . 1 . 2]" 1
288 1 56 LYS H 1 56 LYS HG3 3.650 . 5.500 3.891 3.703 4.040 . 0 0 "[ . 1 . 2]" 1
289 1 16 ILE MD 1 64 SER H 3.650 . 5.500 3.719 3.338 3.825 . 0 0 "[ . 1 . 2]" 1
290 1 58 VAL H 1 58 VAL MG2 3.650 . 5.500 3.745 2.118 3.998 . 0 0 "[ . 1 . 2]" 1
291 1 68 GLY H 1 69 ILE MD 3.650 . 5.500 3.580 3.340 4.311 . 0 0 "[ . 1 . 2]" 1
292 1 47 ILE MD 1 68 GLY H 3.650 . 5.500 3.074 2.929 3.216 . 0 0 "[ . 1 . 2]" 1
293 1 30 ALA MB 1 68 GLY H 4.150 . 6.500 5.630 5.468 5.837 . 0 0 "[ . 1 . 2]" 1
294 1 20 ASP H 1 22 ILE HG12 3.650 . 5.500 4.246 4.108 4.400 . 0 0 "[ . 1 . 2]" 1
295 1 11 THR MG 1 68 GLY H 3.650 . 5.500 3.520 3.276 3.723 . 0 0 "[ . 1 . 2]" 1
296 1 28 VAL HB 1 68 GLY H 3.650 . 5.500 4.786 3.217 5.565 0.065 4 0 "[ . 1 . 2]" 1
297 1 43 ILE HG12 1 44 SER H 3.650 . 5.500 5.018 4.912 5.127 . 0 0 "[ . 1 . 2]" 1
298 1 91 LYS HG3 1 92 VAL H 3.650 . 5.500 4.203 2.587 4.758 . 0 0 "[ . 1 . 2]" 1
299 1 19 ALA MB 1 20 ASP H 2.750 . 3.700 2.847 2.606 2.992 . 0 0 "[ . 1 . 2]" 1
300 1 43 ILE HB 1 44 SER H 2.750 . 3.700 2.855 2.627 3.068 . 0 0 "[ . 1 . 2]" 1
301 1 62 CYS H 1 63 GLY H 3.650 . 5.500 4.117 3.878 4.398 . 0 0 "[ . 1 . 2]" 1
302 1 106 THR H 1 107 PHE H 3.650 . 5.500 2.746 2.381 3.035 . 0 0 "[ . 1 . 2]" 1
303 1 38 LEU MD1 1 40 PHE H 3.650 . 3.700 3.271 2.882 3.703 0.003 3 0 "[ . 1 . 2]" 1
304 1 60 GLU H 1 62 CYS H 3.650 . 5.500 3.986 3.835 4.121 . 0 0 "[ . 1 . 2]" 1
305 1 34 LYS H 1 36 ASP H 3.650 . 5.500 4.067 3.873 4.346 . 0 0 "[ . 1 . 2]" 1
306 1 31 VAL H 1 42 GLY H 3.650 . 5.500 4.820 4.660 5.045 . 0 0 "[ . 1 . 2]" 1
307 1 92 VAL H 1 92 VAL MG1 2.300 . 2.800 2.266 2.024 2.575 . 0 0 "[ . 1 . 2]" 1
308 1 55 LEU MD2 1 56 LYS H 3.650 . 5.500 4.739 4.630 4.789 . 0 0 "[ . 1 . 2]" 1
309 1 58 VAL H 1 58 VAL MG1 2.300 . 2.800 2.407 2.190 2.873 0.073 5 0 "[ . 1 . 2]" 1
310 1 43 ILE MG 1 44 SER H 2.750 . 3.700 3.631 3.520 3.716 0.016 4 0 "[ . 1 . 2]" 1
311 1 38 LEU HG 1 40 PHE H 3.650 . 5.500 5.165 4.836 5.505 0.005 18 0 "[ . 1 . 2]" 1
312 1 38 LEU MD2 1 40 PHE H 2.750 . 3.700 2.274 1.950 2.662 . 0 0 "[ . 1 . 2]" 1
313 1 38 LEU HB3 1 40 PHE H 4.150 . 6.500 5.417 5.220 5.801 . 0 0 "[ . 1 . 2]" 1
314 1 40 PHE H 1 41 VAL MG1 3.650 . 5.500 4.105 3.837 4.370 . 0 0 "[ . 1 . 2]" 1
315 1 38 LEU MD2 1 42 GLY H 3.650 . 5.500 5.231 4.978 5.480 . 0 0 "[ . 1 . 2]" 1
316 1 8 LEU H 1 9 THR H 2.750 . 3.700 2.649 2.325 3.026 . 0 0 "[ . 1 . 2]" 1
317 1 58 VAL MG2 1 62 CYS H 4.150 . 6.500 5.459 5.011 5.712 . 0 0 "[ . 1 . 2]" 1
318 1 58 VAL MG1 1 62 CYS H 4.150 . 6.500 6.065 5.773 6.631 0.131 5 0 "[ . 1 . 2]" 1
319 1 94 GLY H 1 95 LYS H 2.750 . 3.700 2.473 2.160 2.982 . 0 0 "[ . 1 . 2]" 1
320 1 63 GLY H 1 64 SER H 2.750 . 3.700 2.301 2.053 2.553 . 0 0 "[ . 1 . 2]" 1
321 1 41 VAL MG1 1 42 GLY H 2.750 . 3.700 3.685 3.591 3.722 0.022 16 0 "[ . 1 . 2]" 1
322 1 26 SER H 1 69 ILE MG 3.650 . 5.500 3.575 3.132 4.521 . 0 0 "[ . 1 . 2]" 1
323 1 34 LYS HG2 1 62 CYS H 4.150 . 6.500 5.415 4.184 6.533 0.033 1 0 "[ . 1 . 2]" 1
324 1 106 THR H 1 106 THR MG 3.650 . 5.500 3.562 2.531 3.735 . 0 0 "[ . 1 . 2]" 1
325 1 43 ILE H 1 43 ILE HG13 2.750 . 3.700 2.817 2.710 2.911 . 0 0 "[ . 1 . 2]" 1
326 1 43 ILE H 1 43 ILE MD 3.650 . 5.500 3.791 3.705 3.912 . 0 0 "[ . 1 . 2]" 1
327 1 106 THR H 1 108 VAL MG2 3.650 . 5.500 4.840 4.108 5.379 . 0 0 "[ . 1 . 2]" 1
328 1 43 ILE MD 1 79 THR H 3.650 . 5.500 3.566 3.176 3.799 . 0 0 "[ . 1 . 2]" 1
329 1 33 ASP HA 1 63 GLY H 3.650 . 5.500 3.180 2.911 3.773 . 0 0 "[ . 1 . 2]" 1
330 1 62 CYS HA 1 63 GLY H 2.300 . 2.800 2.164 2.045 2.355 . 0 0 "[ . 1 . 2]" 1
331 1 93 THR HA 1 94 GLY H 2.750 . 3.700 3.426 3.230 3.539 . 0 0 "[ . 1 . 2]" 1
332 1 7 SER HB3 1 9 THR H 3.650 . 5.500 3.764 2.943 4.675 . 0 0 "[ . 1 . 2]" 1
333 1 34 LYS HA 1 63 GLY H 3.650 . 5.500 5.062 4.726 5.511 0.011 8 0 "[ . 1 . 2]" 1
334 1 94 GLY H 1 95 LYS HA 3.650 . 5.500 5.059 4.755 5.465 . 0 0 "[ . 1 . 2]" 1
335 1 9 THR H 1 10 GLU H 2.750 . 3.700 2.649 2.506 2.827 . 0 0 "[ . 1 . 2]" 1
336 1 92 VAL H 1 94 GLY H 3.650 . 5.500 3.853 3.380 4.092 . 0 0 "[ . 1 . 2]" 1
337 1 55 LEU H 1 57 SER H 3.650 . 5.500 3.725 3.580 3.946 . 0 0 "[ . 1 . 2]" 1
338 1 43 ILE H 1 43 ILE HG12 3.650 . 5.500 2.128 2.022 2.295 . 0 0 "[ . 1 . 2]" 1
339 1 36 ASP H 1 36 ASP HB3 3.650 . 5.500 3.852 3.581 4.171 . 0 0 "[ . 1 . 2]" 1
340 1 105 ASN HB3 1 106 THR H 3.650 . 5.500 3.547 2.007 4.515 . 0 0 "[ . 1 . 2]" 1
341 1 29 TYR HB3 1 42 GLY H 4.150 . 6.500 5.353 5.219 5.490 . 0 0 "[ . 1 . 2]" 1
342 1 36 ASP H 1 36 ASP HB2 2.750 . 3.700 3.321 3.130 3.621 . 0 0 "[ . 1 . 2]" 1
343 1 104 ASN HA 1 104 ASN HD21 3.650 . 5.500 3.619 1.872 4.529 . 0 0 "[ . 1 . 2]" 1
344 1 104 ASN HA 1 104 ASN HD22 3.650 . 5.500 4.327 3.488 5.173 . 0 0 "[ . 1 . 2]" 1
345 1 20 ASP HB3 1 21 SER H 2.750 . 3.700 3.111 2.883 3.764 0.064 1 0 "[ . 1 . 2]" 1
346 1 42 GLY HA3 1 43 ILE H 2.750 . 3.700 2.749 2.620 2.896 . 0 0 "[ . 1 . 2]" 1
347 1 48 ALA HA 1 52 SER H 2.750 . 3.700 3.728 3.642 3.780 0.080 19 0 "[ . 1 . 2]" 1
348 1 51 VAL HA 1 52 SER H 2.750 . 3.700 3.561 3.531 3.590 . 0 0 "[ . 1 . 2]" 1
349 1 106 THR H 1 106 THR HA 2.750 . 3.700 2.767 2.706 2.852 . 0 0 "[ . 1 . 2]" 1
350 1 26 SER H 1 27 GLY HA3 3.650 . 5.500 5.070 4.955 5.144 . 0 0 "[ . 1 . 2]" 1
351 1 105 ASN HB2 1 106 THR H 3.650 . 5.500 3.859 2.115 4.454 . 0 0 "[ . 1 . 2]" 1
352 1 42 GLY H 1 42 GLY HA3 2.750 . 3.700 2.661 2.630 2.695 . 0 0 "[ . 1 . 2]" 1
353 1 21 SER H 1 21 SER HB2 2.300 . 2.800 2.508 2.421 2.739 . 0 0 "[ . 1 . 2]" 1
354 1 33 ASP HB2 1 62 CYS H 3.650 . 5.500 4.674 3.837 5.071 . 0 0 "[ . 1 . 2]" 1
355 1 25 ALA MB 1 26 SER H 2.300 . 2.800 2.064 1.984 2.174 . 0 0 "[ . 1 . 2]" 1
356 1 26 SER H 1 69 ILE HG13 3.650 . 5.500 4.743 4.377 5.539 0.039 6 0 "[ . 1 . 2]" 1
357 1 60 GLU HB2 1 62 CYS H 4.150 . 6.500 5.492 5.387 5.675 . 0 0 "[ . 1 . 2]" 1
358 1 41 VAL HB 1 42 GLY H 2.750 . 3.700 2.778 2.625 2.996 . 0 0 "[ . 1 . 2]" 1
359 1 19 ALA MB 1 21 SER H 3.650 . 5.500 4.389 4.264 4.469 . 0 0 "[ . 1 . 2]" 1
360 1 43 ILE H 1 43 ILE HB 3.650 . 5.500 3.723 3.672 3.796 . 0 0 "[ . 1 . 2]" 1
361 1 21 SER H 1 22 ILE HG12 3.650 . 5.500 3.363 3.251 3.516 . 0 0 "[ . 1 . 2]" 1
362 1 78 LEU HB3 1 79 THR H 2.750 . 3.700 3.454 3.326 3.562 . 0 0 "[ . 1 . 2]" 1
363 1 62 CYS H 1 62 CYS HB2 2.750 . 3.700 2.376 2.255 2.474 . 0 0 "[ . 1 . 2]" 1
364 1 33 ASP HB3 1 62 CYS H 3.650 . 5.500 5.425 4.974 5.550 0.050 11 0 "[ . 1 . 2]" 1
365 1 104 ASN HB2 1 104 ASN HD22 3.650 . 5.500 3.772 3.455 4.059 . 0 0 "[ . 1 . 2]" 1
366 1 78 LEU HB2 1 79 THR H 2.750 . 3.700 2.423 2.289 2.549 . 0 0 "[ . 1 . 2]" 1
367 1 62 CYS H 1 62 CYS HB3 2.750 . 3.700 3.489 2.487 3.633 . 0 0 "[ . 1 . 2]" 1
368 1 32 TYR HB3 1 36 ASP H 3.650 . 5.500 3.897 3.547 4.288 . 0 0 "[ . 1 . 2]" 1
369 1 51 VAL HB 1 52 SER H 2.300 . 2.800 2.443 2.276 2.520 . 0 0 "[ . 1 . 2]" 1
370 1 82 TRP HA 1 83 LYS H 2.750 . 3.700 3.519 3.490 3.565 . 0 0 "[ . 1 . 2]" 1
371 1 25 ALA H 1 47 ILE HA 4.150 . 6.500 5.616 4.962 6.022 . 0 0 "[ . 1 . 2]" 1
372 1 25 ALA H 1 46 ASN HB2 4.150 . 6.500 6.069 5.262 6.550 0.050 10 0 "[ . 1 . 2]" 1
373 1 105 ASN HB3 1 109 LYS H 3.650 . 5.500 4.912 3.364 5.587 0.087 17 0 "[ . 1 . 2]" 1
374 1 53 ALA H 1 54 HIS HB3 4.150 . 6.500 5.759 5.413 5.965 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLU HB3 1 19 ALA H 3.650 . 5.500 4.542 4.392 4.603 . 0 0 "[ . 1 . 2]" 1
376 1 53 ALA H 1 56 LYS HB2 4.150 . 6.500 5.555 5.346 5.723 . 0 0 "[ . 1 . 2]" 1
377 1 12 GLU HB2 1 13 LEU H 2.750 . 3.700 2.612 2.456 2.766 . 0 0 "[ . 1 . 2]" 1
378 1 18 GLU HB2 1 19 ALA H 3.650 . 5.500 4.319 4.044 4.408 . 0 0 "[ . 1 . 2]" 1
379 1 81 ALA H 1 82 TRP HB2 3.650 . 5.500 4.924 4.845 4.983 . 0 0 "[ . 1 . 2]" 1
380 1 19 ALA H 1 19 ALA HA 2.750 . 3.700 2.776 2.722 2.826 . 0 0 "[ . 1 . 2]" 1
381 1 25 ALA H 1 48 ALA HA 4.150 . 6.500 6.125 5.739 6.428 . 0 0 "[ . 1 . 2]" 1
382 1 75 LYS HA 1 76 ALA H 3.650 . 5.500 3.518 3.470 3.582 . 0 0 "[ . 1 . 2]" 1
383 1 81 ALA H 1 81 ALA HA 2.300 . 2.800 2.804 2.794 2.813 0.013 5 0 "[ . 1 . 2]" 1
384 1 29 TYR HB3 1 30 ALA H 3.650 . 5.500 3.867 3.774 3.973 . 0 0 "[ . 1 . 2]" 1
385 1 74 ASP HB2 1 76 ALA H 3.650 . 5.500 4.650 4.438 4.831 . 0 0 "[ . 1 . 2]" 1
386 1 23 PRO HD2 1 25 ALA H 4.150 . 6.500 5.574 5.286 5.913 . 0 0 "[ . 1 . 2]" 1
387 1 29 TYR HB2 1 30 ALA H 2.750 . 3.700 2.662 2.497 2.774 . 0 0 "[ . 1 . 2]" 1
388 1 23 PRO HB3 1 25 ALA H 3.650 . 5.500 3.643 3.290 4.560 . 0 0 "[ . 1 . 2]" 1
389 1 53 ALA H 1 53 ALA MB 2.300 . 2.800 2.236 2.212 2.258 . 0 0 "[ . 1 . 2]" 1
390 1 25 ALA H 1 47 ILE HB 2.750 . 3.700 3.267 2.884 3.637 . 0 0 "[ . 1 . 2]" 1
391 1 19 ALA H 1 22 ILE HG12 3.650 . 5.500 4.405 4.014 4.694 . 0 0 "[ . 1 . 2]" 1
392 1 19 ALA H 1 19 ALA MB 2.300 . 2.800 2.225 2.199 2.246 . 0 0 "[ . 1 . 2]" 1
393 1 30 ALA H 1 51 VAL MG2 3.650 . 5.500 5.155 4.803 5.318 . 0 0 "[ . 1 . 2]" 1
394 1 30 ALA H 1 41 VAL MG1 3.650 . 5.500 4.407 4.259 4.669 . 0 0 "[ . 1 . 2]" 1
395 1 25 ALA H 1 25 ALA MB 2.300 . 2.800 2.388 2.210 2.583 . 0 0 "[ . 1 . 2]" 1
396 1 30 ALA H 1 65 VAL MG2 2.750 . 3.700 2.878 2.684 3.021 . 0 0 "[ . 1 . 2]" 1
397 1 81 ALA H 1 81 ALA MB 2.300 . 2.800 2.226 2.194 2.241 . 0 0 "[ . 1 . 2]" 1
398 1 30 ALA H 1 30 ALA MB 2.750 . 3.700 2.432 2.375 2.538 . 0 0 "[ . 1 . 2]" 1
399 1 45 ARG H 1 45 ARG HB2 3.650 . 5.500 2.546 2.169 3.661 . 0 0 "[ . 1 . 2]" 1
400 1 23 PRO HG3 1 25 ALA H 4.150 . 6.500 5.688 5.349 6.461 . 0 0 "[ . 1 . 2]" 1
401 1 30 ALA H 1 66 LYS QB 3.650 . 5.500 3.263 2.951 3.424 . 0 0 "[ . 1 . 2]" 1
402 1 76 ALA H 1 76 ALA MB 2.750 . 3.700 2.272 2.234 2.311 . 0 0 "[ . 1 . 2]" 1
403 1 78 LEU HB3 1 81 ALA H 4.150 . 6.500 5.627 5.497 5.748 . 0 0 "[ . 1 . 2]" 1
404 1 13 LEU H 1 13 LEU HB2 2.750 . 3.700 2.802 2.709 2.934 . 0 0 "[ . 1 . 2]" 1
405 1 13 LEU H 1 13 LEU HB3 2.750 . 3.700 2.525 2.475 2.581 . 0 0 "[ . 1 . 2]" 1
406 1 12 GLU HA 1 13 LEU H 2.300 . 2.800 2.346 2.266 2.455 . 0 0 "[ . 1 . 2]" 1
407 1 24 SER H 1 25 ALA H 3.650 . 5.500 3.096 2.692 3.850 . 0 0 "[ . 1 . 2]" 1
408 1 13 LEU H 1 14 LEU H 3.650 . 5.500 4.362 4.217 4.444 . 0 0 "[ . 1 . 2]" 1
409 1 12 GLU H 1 13 LEU H 3.650 . 5.500 4.585 4.529 4.630 . 0 0 "[ . 1 . 2]" 1
410 1 81 ALA H 1 83 LYS H 4.150 . 6.500 4.128 3.997 4.286 . 0 0 "[ . 1 . 2]" 1
411 1 18 GLU H 1 19 ALA H 3.650 . 5.500 3.149 2.851 3.315 . 0 0 "[ . 1 . 2]" 1
412 1 25 ALA H 1 47 ILE H 2.750 . 3.700 3.338 2.698 3.702 0.002 9 0 "[ . 1 . 2]" 1
413 1 76 ALA H 1 77 VAL H 3.650 . 5.500 2.456 2.316 2.600 . 0 0 "[ . 1 . 2]" 1
414 1 29 TYR H 1 30 ALA H 3.650 . 5.500 4.321 4.264 4.352 . 0 0 "[ . 1 . 2]" 1
415 1 69 ILE H 1 69 ILE HG13 3.650 . 5.500 3.730 3.499 3.878 . 0 0 "[ . 1 . 2]" 1
416 1 69 ILE H 1 69 ILE MG 3.650 . 5.500 3.784 3.743 3.819 . 0 0 "[ . 1 . 2]" 1
417 1 38 LEU HB3 1 39 GLN H 3.650 . 5.500 4.266 4.121 4.364 . 0 0 "[ . 1 . 2]" 1
418 1 38 LEU HG 1 39 GLN H 3.650 . 5.500 4.863 4.623 5.077 . 0 0 "[ . 1 . 2]" 1
419 1 38 LEU MD1 1 39 GLN H 3.650 . 5.500 3.209 2.868 3.475 . 0 0 "[ . 1 . 2]" 1
420 1 30 ALA H 1 66 LYS H 2.750 . 3.700 2.840 2.584 2.966 . 0 0 "[ . 1 . 2]" 1
421 1 69 ILE H 1 69 ILE MD 3.650 . 3.700 2.171 1.899 3.303 . 0 0 "[ . 1 . 2]" 1
422 1 38 LEU MD2 1 39 GLN H 2.750 . 3.700 2.285 1.978 2.568 . 0 0 "[ . 1 . 2]" 1
423 1 18 GLU HA 1 19 ALA H 2.750 . 3.700 2.509 2.362 2.908 . 0 0 "[ . 1 . 2]" 1
424 1 53 ALA H 1 54 HIS HA 3.650 . 5.500 5.366 5.261 5.443 . 0 0 "[ . 1 . 2]" 1
425 1 80 GLN HA 1 81 ALA H 2.750 . 3.700 3.561 3.536 3.583 . 0 0 "[ . 1 . 2]" 1
426 1 23 PRO HA 1 25 ALA H 3.650 . 5.500 4.058 3.685 4.843 . 0 0 "[ . 1 . 2]" 1
427 1 25 ALA H 1 46 ASN HA 3.650 . 5.500 4.005 3.168 4.517 . 0 0 "[ . 1 . 2]" 1
428 1 53 ALA H 1 53 ALA HA 2.750 . 3.700 2.781 2.745 2.819 . 0 0 "[ . 1 . 2]" 1
429 1 24 SER HA 1 25 ALA H 2.300 . 2.800 2.679 2.292 2.856 0.056 9 0 "[ . 1 . 2]" 1
430 1 77 VAL HA 1 81 ALA H 3.650 . 5.500 3.862 3.684 4.064 . 0 0 "[ . 1 . 2]" 1
431 1 25 ALA H 1 48 ALA H 3.650 . 5.500 3.678 3.156 3.986 . 0 0 "[ . 1 . 2]" 1
432 1 25 ALA H 1 46 ASN HD21 3.650 . 5.500 5.200 4.243 5.608 0.108 1 0 "[ . 1 . 2]" 1
433 1 53 ALA H 1 54 HIS H 2.750 . 3.700 2.909 2.735 3.023 . 0 0 "[ . 1 . 2]" 1
434 1 29 TYR HA 1 30 ALA H 2.750 . 3.700 2.243 2.200 2.354 . 0 0 "[ . 1 . 2]" 1
435 1 53 ALA H 1 54 HIS HD2 3.650 . 5.500 5.367 4.927 5.524 0.024 20 0 "[ . 1 . 2]" 1
436 1 30 ALA H 1 65 VAL HA 3.650 . 5.500 4.455 4.264 4.631 . 0 0 "[ . 1 . 2]" 1
437 1 13 LEU H 1 14 LEU MD2 3.650 . 5.500 3.534 3.338 3.682 . 0 0 "[ . 1 . 2]" 1
438 1 65 VAL HA 1 66 LYS H 2.300 . 2.800 2.161 2.140 2.192 . 0 0 "[ . 1 . 2]" 1
439 1 31 VAL H 1 65 VAL HA 3.650 . 5.500 4.928 4.768 5.029 . 0 0 "[ . 1 . 2]" 1
440 1 46 ASN HD22 1 49 ALA H 3.650 . 5.500 3.416 2.347 4.254 . 0 0 "[ . 1 . 2]" 1
441 1 25 ALA H 1 49 ALA H 4.150 . 6.500 6.056 5.316 6.508 0.008 14 0 "[ . 1 . 2]" 1
442 1 32 TYR HA 1 33 ASP H 2.300 . 2.800 2.192 2.102 2.252 . 0 0 "[ . 1 . 2]" 1
443 1 30 ALA HA 1 31 VAL H 2.300 . 2.800 2.142 2.115 2.176 . 0 0 "[ . 1 . 2]" 1
444 1 30 ALA HA 1 66 LYS H 3.650 . 5.500 4.618 4.442 4.709 . 0 0 "[ . 1 . 2]" 1
445 1 66 LYS H 1 66 LYS HA 2.750 . 3.700 2.931 2.917 2.949 . 0 0 "[ . 1 . 2]" 1
446 1 32 TYR QD 1 66 LYS H 2.750 . 3.700 3.038 2.824 3.336 . 0 0 "[ . 1 . 2]" 1
447 1 32 TYR QE 1 66 LYS H 3.650 . 5.500 3.357 2.816 3.940 . 0 0 "[ . 1 . 2]" 1
448 1 48 ALA H 1 49 ALA H 2.750 . 3.700 3.015 2.866 3.228 . 0 0 "[ . 1 . 2]" 1
449 1 33 ASP H 1 39 GLN HE22 3.650 . 5.500 3.763 2.566 5.525 0.025 7 0 "[ . 1 . 2]" 1
450 1 89 HIS HD2 1 90 ILE H 4.150 . 6.500 5.222 4.536 6.106 . 0 0 "[ . 1 . 2]" 1
451 1 85 TRP H 1 85 TRP HD1 2.750 . 2.800 2.452 2.161 2.723 . 0 0 "[ . 1 . 2]" 1
452 1 51 VAL H 1 54 HIS HD2 3.650 . 5.500 5.113 4.295 5.509 0.009 17 0 "[ . 1 . 2]" 1
453 1 16 ILE H 1 64 SER HA 2.750 . 3.700 2.594 2.244 2.827 . 0 0 "[ . 1 . 2]" 1
454 1 109 LYS H 1 109 LYS HA 2.750 . 3.700 2.599 2.139 2.927 . 0 0 "[ . 1 . 2]" 1
455 1 17 THR HA 1 18 GLU H 2.750 . 3.700 3.455 3.342 3.529 . 0 0 "[ . 1 . 2]" 1
456 1 18 GLU H 1 18 GLU HA 2.750 . 3.700 2.892 2.872 2.914 . 0 0 "[ . 1 . 2]" 1
457 1 17 THR HB 1 18 GLU H 3.650 . 5.500 3.937 3.343 4.244 . 0 0 "[ . 1 . 2]" 1
458 1 85 TRP H 1 85 TRP HA 2.750 . 3.700 2.794 2.747 2.844 . 0 0 "[ . 1 . 2]" 1
459 1 79 THR HB 1 80 GLN H 2.750 . 3.700 2.790 2.627 2.957 . 0 0 "[ . 1 . 2]" 1
460 1 108 VAL HA 1 109 LYS H 2.750 . 3.700 3.338 3.064 3.505 . 0 0 "[ . 1 . 2]" 1
461 1 15 PRO HA 1 16 ILE H 2.300 . 2.800 2.276 2.210 2.337 . 0 0 "[ . 1 . 2]" 1
462 1 112 LEU HA 1 113 GLU H 2.750 . 3.700 2.726 1.976 3.602 . 0 0 "[ . 1 . 2]" 1
463 1 31 VAL HA 1 66 LYS H 3.650 . 5.500 3.763 3.524 3.998 . 0 0 "[ . 1 . 2]" 1
464 1 13 LEU HA 1 66 LYS H 3.650 . 5.500 4.712 4.562 4.897 . 0 0 "[ . 1 . 2]" 1
465 1 100 ASN HA 1 101 LYS H 2.750 . 3.700 3.352 3.064 3.462 . 0 0 "[ . 1 . 2]" 1
466 1 89 HIS HA 1 90 ILE H 2.750 . 3.700 3.430 3.375 3.489 . 0 0 "[ . 1 . 2]" 1
467 1 31 VAL H 1 41 VAL HA 2.750 . 3.700 3.085 2.880 3.254 . 0 0 "[ . 1 . 2]" 1
468 1 31 VAL H 1 40 PHE HA 3.650 . 5.500 4.844 4.772 4.893 . 0 0 "[ . 1 . 2]" 1
469 1 49 ALA H 1 51 VAL H 3.650 . 5.500 4.217 3.861 4.497 . 0 0 "[ . 1 . 2]" 1
470 1 47 ILE H 1 49 ALA H 3.650 . 5.500 4.610 4.360 4.982 . 0 0 "[ . 1 . 2]" 1
471 1 47 ILE H 1 48 ALA H 3.650 . 5.500 3.010 2.839 3.258 . 0 0 "[ . 1 . 2]" 1
472 1 90 ILE H 1 91 LYS H 2.750 . 3.700 2.685 2.355 2.825 . 0 0 "[ . 1 . 2]" 1
473 1 33 ASP H 1 37 GLU H 2.750 . 3.700 2.907 2.510 3.175 . 0 0 "[ . 1 . 2]" 1
474 1 33 ASP H 1 36 ASP H 3.650 . 5.500 3.916 3.663 4.306 . 0 0 "[ . 1 . 2]" 1
475 1 32 TYR H 1 33 ASP H 3.650 . 5.500 4.376 4.333 4.426 . 0 0 "[ . 1 . 2]" 1
476 1 30 ALA H 1 38 LEU MD2 3.650 . 5.500 4.665 4.519 4.875 . 0 0 "[ . 1 . 2]" 1
477 1 85 TRP H 1 85 TRP HE1 3.650 . 5.500 4.736 4.564 4.874 . 0 0 "[ . 1 . 2]" 1
478 1 33 ASP H 1 39 GLN H 3.650 . 5.500 4.202 3.923 4.660 . 0 0 "[ . 1 . 2]" 1
479 1 47 ILE H 1 51 VAL H 4.150 . 6.500 6.037 5.755 6.247 . 0 0 "[ . 1 . 2]" 1
480 1 16 ILE H 1 65 VAL H 3.650 . 5.500 4.272 4.096 4.486 . 0 0 "[ . 1 . 2]" 1
481 1 66 LYS H 1 67 VAL H 3.650 . 5.500 4.408 4.350 4.479 . 0 0 "[ . 1 . 2]" 1
482 1 48 ALA H 1 51 VAL H 3.650 . 5.500 4.809 4.739 4.959 . 0 0 "[ . 1 . 2]" 1
483 1 89 HIS H 1 90 ILE H 2.750 . 3.700 2.505 2.350 2.609 . 0 0 "[ . 1 . 2]" 1
484 1 49 ALA H 1 50 SER H 2.750 . 3.700 2.704 2.497 2.870 . 0 0 "[ . 1 . 2]" 1
485 1 33 ASP H 1 39 GLN HE21 3.650 . 5.500 3.420 2.881 4.627 . 0 0 "[ . 1 . 2]" 1
486 1 74 ASP H 1 78 LEU H 3.650 . 5.500 4.482 4.075 5.025 . 0 0 "[ . 1 . 2]" 1
487 1 108 VAL H 1 109 LYS H 2.750 . 3.700 2.094 1.864 2.796 . 0 0 "[ . 1 . 2]" 1
488 1 48 ALA H 1 50 SER H 3.650 . 5.500 4.516 4.310 4.861 . 0 0 "[ . 1 . 2]" 1
489 1 18 GLU H 1 20 ASP H 3.650 . 5.500 5.193 4.966 5.377 . 0 0 "[ . 1 . 2]" 1
490 1 85 TRP H 1 86 ILE H 2.750 . 3.700 2.819 2.639 2.920 . 0 0 "[ . 1 . 2]" 1
491 1 90 ILE H 1 95 LYS H 4.150 . 6.500 4.852 4.004 5.718 . 0 0 "[ . 1 . 2]" 1
492 1 88 GLU H 1 91 LYS H 3.650 . 5.500 4.815 4.706 4.924 . 0 0 "[ . 1 . 2]" 1
493 1 100 ASN H 1 101 LYS H 2.300 . 2.800 2.131 1.973 2.277 . 0 0 "[ . 1 . 2]" 1
494 1 87 GLU H 1 88 GLU H 2.750 . 3.700 2.748 2.654 2.896 . 0 0 "[ . 1 . 2]" 1
495 1 22 ILE H 1 48 ALA MB 3.650 . 5.500 4.056 3.737 4.499 . 0 0 "[ . 1 . 2]" 1
496 1 14 LEU H 1 64 SER HB3 3.650 . 5.500 5.230 3.851 5.553 0.053 11 0 "[ . 1 . 2]" 1
497 1 38 LEU H 1 39 GLN HA 4.150 . 6.500 5.140 4.859 5.365 . 0 0 "[ . 1 . 2]" 1
498 1 7 SER HB2 1 8 LEU H 3.650 . 5.500 2.849 2.021 3.532 . 0 0 "[ . 1 . 2]" 1
499 1 14 LEU H 1 15 PRO HD3 3.650 . 5.500 4.385 4.179 4.537 . 0 0 "[ . 1 . 2]" 1
500 1 41 VAL H 1 99 GLY HA3 4.150 . 6.500 6.426 5.772 6.615 0.115 15 0 "[ . 1 . 2]" 1
501 1 85 TRP HB2 1 85 TRP HE1 3.650 . 5.500 5.063 4.959 5.116 . 0 0 "[ . 1 . 2]" 1
502 1 11 THR HA 1 12 GLU H 2.300 . 2.800 2.260 2.140 2.431 . 0 0 "[ . 1 . 2]" 1
503 1 11 THR HB 1 12 GLU H 3.650 . 5.500 3.912 3.639 4.083 . 0 0 "[ . 1 . 2]" 1
504 1 40 PHE HA 1 41 VAL H 2.300 . 2.800 2.088 2.053 2.150 . 0 0 "[ . 1 . 2]" 1
505 1 7 SER HA 1 8 LEU H 2.750 . 3.700 2.483 2.280 2.650 . 0 0 "[ . 1 . 2]" 1
506 1 14 LEU H 1 15 PRO HA 3.650 . 5.500 4.982 4.886 5.105 . 0 0 "[ . 1 . 2]" 1
507 1 85 TRP HA 1 85 TRP HE1 3.650 . 5.500 4.796 4.708 4.929 . 0 0 "[ . 1 . 2]" 1
508 1 7 SER HB3 1 8 LEU H 3.650 . 5.500 2.981 1.986 3.798 . 0 0 "[ . 1 . 2]" 1
509 1 32 TYR H 1 62 CYS HA 4.150 . 6.500 5.876 5.332 6.506 0.006 10 0 "[ . 1 . 2]" 1
510 1 37 GLU HA 1 38 LEU H 2.300 . 2.800 2.153 1.969 2.459 . 0 0 "[ . 1 . 2]" 1
511 1 13 LEU HA 1 14 LEU H 2.300 . 2.800 2.161 2.114 2.195 . 0 0 "[ . 1 . 2]" 1
512 1 31 VAL HA 1 32 TYR H 2.300 . 2.800 2.109 2.071 2.176 . 0 0 "[ . 1 . 2]" 1
513 1 8 LEU HA 1 85 TRP HE1 3.650 . 5.500 4.089 3.283 4.712 . 0 0 "[ . 1 . 2]" 1
514 1 31 VAL HB 1 32 TYR H 3.650 . 5.500 4.201 4.071 4.276 . 0 0 "[ . 1 . 2]" 1
515 1 41 VAL HB 1 82 TRP HE1 3.650 . 5.500 3.983 3.466 4.409 . 0 0 "[ . 1 . 2]" 1
516 1 8 LEU H 1 8 LEU HB2 2.750 . 3.700 2.326 2.169 2.541 . 0 0 "[ . 1 . 2]" 1
517 1 13 LEU HB3 1 14 LEU H 3.650 . 5.500 4.178 4.089 4.289 . 0 0 "[ . 1 . 2]" 1
518 1 11 THR MG 1 12 GLU H 2.300 . 2.800 2.398 2.088 2.710 . 0 0 "[ . 1 . 2]" 1
519 1 40 PHE HB3 1 41 VAL H 3.650 . 5.500 4.241 4.072 4.380 . 0 0 "[ . 1 . 2]" 1
520 1 38 LEU H 1 95 LYS HB2 4.150 . 6.500 5.012 3.868 5.891 . 0 0 "[ . 1 . 2]" 1
521 1 38 LEU H 1 38 LEU HB2 2.750 . 3.700 2.687 2.495 2.914 . 0 0 "[ . 1 . 2]" 1
522 1 11 THR MG 1 85 TRP HE1 3.650 . 5.500 4.675 4.349 5.046 . 0 0 "[ . 1 . 2]" 1
523 1 32 TYR H 1 32 TYR HB2 2.750 . 3.700 2.428 2.359 2.507 . 0 0 "[ . 1 . 2]" 1
524 1 85 TRP HB3 1 85 TRP HE1 3.650 . 5.500 5.226 5.188 5.240 . 0 0 "[ . 1 . 2]" 1
525 1 32 TYR H 1 32 TYR HB3 3.650 . 5.500 3.620 3.578 3.667 . 0 0 "[ . 1 . 2]" 1
526 1 12 GLU H 1 12 GLU HB3 2.300 . 2.800 2.706 2.529 2.814 0.014 2 0 "[ . 1 . 2]" 1
527 1 41 VAL H 1 100 ASN HB3 3.650 . 5.500 4.699 4.351 5.078 . 0 0 "[ . 1 . 2]" 1
528 1 14 LEU H 1 65 VAL HB 4.150 . 6.500 5.495 5.346 5.598 . 0 0 "[ . 1 . 2]" 1
529 1 41 VAL H 1 100 ASN HA 3.650 . 5.500 4.414 3.461 5.252 . 0 0 "[ . 1 . 2]" 1
530 1 31 VAL H 1 41 VAL H 3.650 . 5.500 4.720 4.656 4.809 . 0 0 "[ . 1 . 2]" 1
531 1 37 GLU H 1 38 LEU H 3.650 . 5.500 4.357 4.126 4.455 . 0 0 "[ . 1 . 2]" 1
532 1 41 VAL H 1 82 TRP HE1 3.650 . 5.500 4.117 3.695 4.524 . 0 0 "[ . 1 . 2]" 1
533 1 14 LEU H 1 65 VAL H 2.750 . 3.700 3.013 2.943 3.173 . 0 0 "[ . 1 . 2]" 1
534 1 6 LYS H 1 85 TRP HE1 3.650 . 5.500 4.347 3.619 4.873 . 0 0 "[ . 1 . 2]" 1
535 1 8 LEU H 1 85 TRP HE1 3.650 . 5.500 4.211 3.611 5.090 . 0 0 "[ . 1 . 2]" 1
536 1 38 LEU H 1 39 GLN H 3.650 . 5.500 4.298 4.143 4.434 . 0 0 "[ . 1 . 2]" 1
537 1 12 GLU H 1 67 VAL H 3.650 . 5.500 3.905 3.328 4.309 . 0 0 "[ . 1 . 2]" 1
538 1 32 TYR H 1 64 SER H 3.650 . 5.500 3.232 2.992 3.456 . 0 0 "[ . 1 . 2]" 1
539 1 41 VAL H 1 100 ASN HD21 3.650 . 5.500 3.425 2.295 4.148 . 0 0 "[ . 1 . 2]" 1
540 1 32 TYR H 1 65 VAL HA 3.650 . 5.500 2.786 2.564 3.010 . 0 0 "[ . 1 . 2]" 1
541 1 32 TYR H 1 32 TYR QE 3.650 . 5.500 4.820 4.611 5.028 . 0 0 "[ . 1 . 2]" 1
542 1 30 ALA HA 1 41 VAL H 3.650 . 5.500 4.795 4.627 5.003 . 0 0 "[ . 1 . 2]" 1
543 1 14 LEU H 1 66 LYS HA 3.650 . 5.500 3.107 2.907 3.404 . 0 0 "[ . 1 . 2]" 1
544 1 14 LEU H 1 14 LEU HA 2.750 . 3.700 2.925 2.912 2.938 . 0 0 "[ . 1 . 2]" 1
545 1 32 TYR H 1 32 TYR QD 2.750 . 3.700 2.612 2.387 2.884 . 0 0 "[ . 1 . 2]" 1
546 1 38 LEU H 1 89 HIS HE1 3.650 . 5.500 3.108 2.250 4.209 . 0 0 "[ . 1 . 2]" 1
547 1 11 THR H 1 12 GLU H 3.650 . 5.500 4.523 4.445 4.596 . 0 0 "[ . 1 . 2]" 1
548 1 41 VAL H 1 41 VAL HB 3.650 . 5.500 3.809 3.721 3.929 . 0 0 "[ . 1 . 2]" 1
549 1 68 GLY H 1 69 ILE H 3.650 . 5.500 4.000 3.891 4.118 . 0 0 "[ . 1 . 2]" 1
550 1 70 VAL MG2 1 71 GLU H 2.750 . 3.700 2.611 1.861 3.709 0.009 6 0 "[ . 1 . 2]" 1
551 1 69 ILE HG13 1 70 VAL H 3.650 . 5.500 4.390 4.072 5.434 . 0 0 "[ . 1 . 2]" 1
552 1 32 TYR HA 1 39 GLN H 2.750 . 3.700 3.220 3.058 3.392 . 0 0 "[ . 1 . 2]" 1
553 1 70 VAL H 1 70 VAL HB 2.750 . 3.700 3.022 2.747 3.686 . 0 0 "[ . 1 . 2]" 1
554 1 46 ASN HB3 1 47 ILE H 3.650 . 5.500 4.364 4.300 4.525 . 0 0 "[ . 1 . 2]" 1
555 1 47 ILE H 1 48 ALA HA 4.150 . 6.500 5.548 5.408 5.759 . 0 0 "[ . 1 . 2]" 1
556 1 27 GLY HA3 1 70 VAL H 3.650 . 5.500 2.846 2.550 3.203 . 0 0 "[ . 1 . 2]" 1
557 1 70 VAL HB 1 71 GLU H 3.650 . 5.500 3.980 2.377 4.257 . 0 0 "[ . 1 . 2]" 1
558 1 71 GLU H 1 71 GLU HB2 2.750 . 3.700 2.471 2.306 2.563 . 0 0 "[ . 1 . 2]" 1
559 1 47 ILE H 1 47 ILE HB 2.750 . 3.700 2.553 2.489 2.644 . 0 0 "[ . 1 . 2]" 1
560 1 22 ILE H 1 22 ILE HB 2.300 . 2.800 2.565 2.498 2.647 . 0 0 "[ . 1 . 2]" 1
561 1 31 VAL HB 1 39 GLN H 3.650 . 5.500 4.275 4.023 4.715 . 0 0 "[ . 1 . 2]" 1
562 1 68 GLY HA3 1 69 ILE H 2.750 . 3.700 3.354 3.258 3.434 . 0 0 "[ . 1 . 2]" 1
563 1 32 TYR HB3 1 39 GLN H 4.150 . 6.500 5.612 5.345 5.877 . 0 0 "[ . 1 . 2]" 1
564 1 111 THR MG 1 112 LEU H 3.650 . 5.500 3.562 2.143 4.212 . 0 0 "[ . 1 . 2]" 1
565 1 19 ALA MB 1 22 ILE H 3.650 . 5.500 4.488 4.292 4.609 . 0 0 "[ . 1 . 2]" 1
566 1 69 ILE H 1 69 ILE HB 2.750 . 3.700 2.501 2.405 2.576 . 0 0 "[ . 1 . 2]" 1
567 1 69 ILE H 1 69 ILE HG12 3.650 . 5.500 4.030 2.466 4.188 . 0 0 "[ . 1 . 2]" 1
568 1 39 GLN H 1 89 HIS HB3 4.150 . 6.500 6.510 6.135 6.624 0.124 9 0 "[ . 1 . 2]" 1
569 1 18 GLU HA 1 22 ILE H 4.150 . 6.500 6.011 5.420 6.436 . 0 0 "[ . 1 . 2]" 1
570 1 21 SER HA 1 22 ILE H 2.750 . 3.700 3.259 3.177 3.343 . 0 0 "[ . 1 . 2]" 1
571 1 68 GLY HA2 1 69 ILE H 2.750 . 3.700 2.139 2.099 2.202 . 0 0 "[ . 1 . 2]" 1
572 1 22 ILE H 1 23 PRO HD2 3.650 . 5.500 5.166 5.044 5.258 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU HA 1 39 GLN H 2.750 . 3.700 2.040 1.973 2.106 . 0 0 "[ . 1 . 2]" 1
574 1 22 ILE H 1 22 ILE HA 2.750 . 3.700 2.862 2.817 2.900 . 0 0 "[ . 1 . 2]" 1
575 1 22 ILE H 1 48 ALA HA 4.150 . 6.500 5.105 4.793 5.565 . 0 0 "[ . 1 . 2]" 1
576 1 69 ILE HA 1 70 VAL H 2.750 . 3.700 2.059 1.987 2.152 . 0 0 "[ . 1 . 2]" 1
577 1 41 VAL H 1 41 VAL MG2 2.750 . 3.700 2.201 1.999 2.470 . 0 0 "[ . 1 . 2]" 1
578 1 41 VAL H 1 41 VAL MG1 2.750 . 3.700 2.977 2.654 3.247 . 0 0 "[ . 1 . 2]" 1
579 1 38 LEU H 1 38 LEU HG 3.650 . 5.500 4.663 4.580 4.793 . 0 0 "[ . 1 . 2]" 1
580 1 12 GLU H 1 14 LEU MD2 3.650 . 5.500 4.662 4.401 4.961 . 0 0 "[ . 1 . 2]" 1
581 1 38 LEU H 1 38 LEU MD2 3.650 . 5.500 4.169 4.036 4.257 . 0 0 "[ . 1 . 2]" 1
582 1 38 LEU H 1 38 LEU MD1 3.650 . 5.500 4.079 3.884 4.170 . 0 0 "[ . 1 . 2]" 1
583 1 8 LEU H 1 8 LEU MD2 3.650 . 5.500 3.759 3.318 4.198 . 0 0 "[ . 1 . 2]" 1
584 1 32 TYR H 1 38 LEU MD2 3.650 . 5.500 4.218 4.012 4.443 . 0 0 "[ . 1 . 2]" 1
585 1 38 LEU H 1 38 LEU HB3 2.750 . 3.700 2.419 2.284 2.528 . 0 0 "[ . 1 . 2]" 1
586 1 8 LEU H 1 8 LEU HB3 2.750 . 3.700 3.352 2.324 3.607 . 0 0 "[ . 1 . 2]" 1
587 1 14 LEU H 1 14 LEU MD2 3.650 . 5.500 2.692 2.559 2.842 . 0 0 "[ . 1 . 2]" 1
588 1 40 PHE HB2 1 41 VAL H 3.650 . 5.500 4.165 3.929 4.336 . 0 0 "[ . 1 . 2]" 1
589 1 8 LEU H 1 8 LEU HG 3.650 . 5.500 2.865 2.104 4.518 . 0 0 "[ . 1 . 2]" 1
590 1 41 VAL MG1 1 82 TRP HE1 3.650 . 5.500 4.893 4.558 5.136 . 0 0 "[ . 1 . 2]" 1
591 1 43 ILE MD 1 82 TRP HE1 3.650 . 5.500 5.337 4.978 5.512 0.012 17 0 "[ . 1 . 2]" 1
592 1 14 LEU H 1 14 LEU MD1 3.650 . 5.500 3.915 3.778 4.105 . 0 0 "[ . 1 . 2]" 1
593 1 41 VAL MG2 1 82 TRP HE1 2.750 . 3.700 2.262 2.012 2.443 . 0 0 "[ . 1 . 2]" 1
594 1 38 LEU MD2 1 41 VAL H 3.650 . 5.500 3.997 3.613 4.391 . 0 0 "[ . 1 . 2]" 1
595 1 46 ASN HA 1 47 ILE H 2.750 . 3.700 2.133 1.989 2.274 . 0 0 "[ . 1 . 2]" 1
596 1 6 LYS H 1 6 LYS HA 2.750 . 3.700 2.904 2.767 2.945 . 0 0 "[ . 1 . 2]" 1
597 1 27 GLY HA2 1 70 VAL H 3.650 . 5.500 3.205 2.885 3.492 . 0 0 "[ . 1 . 2]" 1
598 1 24 SER HA 1 47 ILE H 3.650 . 5.500 3.748 3.448 3.998 . 0 0 "[ . 1 . 2]" 1
599 1 70 VAL HA 1 71 GLU H 2.300 . 2.800 2.219 2.101 2.456 . 0 0 "[ . 1 . 2]" 1
600 1 71 GLU H 1 71 GLU HA 2.750 . 3.700 2.846 2.755 2.916 . 0 0 "[ . 1 . 2]" 1
601 1 5 VAL HA 1 6 LYS H 2.300 . 2.800 2.165 2.026 2.333 . 0 0 "[ . 1 . 2]" 1
602 1 3 SER HA 1 4 ALA H 2.750 . 3.700 2.644 2.084 3.559 . 0 0 "[ . 1 . 2]" 1
603 1 5 VAL H 1 6 LYS H 3.650 . 5.500 4.451 4.207 4.604 . 0 0 "[ . 1 . 2]" 1
604 1 4 ALA H 1 5 VAL H 3.650 . 5.500 4.041 2.787 4.629 . 0 0 "[ . 1 . 2]" 1
605 1 38 LEU MD1 1 41 VAL H 3.650 . 5.500 3.871 3.456 4.336 . 0 0 "[ . 1 . 2]" 1
606 1 70 VAL H 1 71 GLU H 3.650 . 5.500 4.403 4.241 4.570 . 0 0 "[ . 1 . 2]" 1
607 1 71 GLU H 1 72 GLU H 3.650 . 5.500 2.562 2.293 2.897 . 0 0 "[ . 1 . 2]" 1
608 1 95 LYS H 1 95 LYS HA 2.750 . 3.700 2.885 2.817 2.930 . 0 0 "[ . 1 . 2]" 1
609 1 10 GLU H 1 11 THR MG 3.650 . 5.500 5.199 5.058 5.400 . 0 0 "[ . 1 . 2]" 1
610 1 9 THR MG 1 10 GLU H 3.650 . 5.500 3.786 2.602 4.110 . 0 0 "[ . 1 . 2]" 1
611 1 11 THR H 1 11 THR MG 2.750 . 3.700 3.704 3.597 3.760 0.060 5 0 "[ . 1 . 2]" 1
612 1 8 LEU HB2 1 11 THR H 3.650 . 5.500 5.455 5.275 5.581 0.081 10 0 "[ . 1 . 2]" 1
613 1 86 ILE H 1 86 ILE HB 2.750 . 3.700 2.711 2.640 2.766 . 0 0 "[ . 1 . 2]" 1
614 1 86 ILE HG12 1 87 GLU H 3.650 . 5.500 3.862 3.717 4.042 . 0 0 "[ . 1 . 2]" 1
615 1 55 LEU H 1 58 VAL MG1 4.150 . 6.500 5.126 4.764 6.532 0.032 5 0 "[ . 1 . 2]" 1
616 1 86 ILE HB 1 87 GLU H 3.650 . 5.500 4.050 3.992 4.100 . 0 0 "[ . 1 . 2]" 1
617 1 8 LEU HB2 1 89 HIS H 4.150 . 6.500 5.719 4.828 6.501 0.001 15 0 "[ . 1 . 2]" 1
618 1 53 ALA MB 1 55 LEU H 4.150 . 6.500 4.339 4.151 4.480 . 0 0 "[ . 1 . 2]" 1
619 1 83 LYS HG3 1 87 GLU H 4.150 . 6.500 5.598 4.551 6.625 0.125 2 0 "[ . 1 . 2]" 1
620 1 24 SER H 1 48 ALA MB 3.650 . 5.500 3.647 3.343 4.176 . 0 0 "[ . 1 . 2]" 1
621 1 55 LEU H 1 55 LEU HB2 2.300 . 2.800 2.446 2.360 2.483 . 0 0 "[ . 1 . 2]" 1
622 1 95 LYS HB2 1 96 VAL H 3.650 . 5.500 4.008 1.949 4.465 . 0 0 "[ . 1 . 2]" 1
623 1 61 LEU H 1 61 LEU HG 2.750 . 3.700 2.848 2.672 3.038 . 0 0 "[ . 1 . 2]" 1
624 1 76 ALA MB 1 77 VAL H 2.300 . 2.800 2.504 2.283 2.723 . 0 0 "[ . 1 . 2]" 1
625 1 53 ALA MB 1 54 HIS H 2.300 . 2.800 2.279 2.150 2.473 . 0 0 "[ . 1 . 2]" 1
626 1 77 VAL H 1 77 VAL MG2 2.300 . 2.800 2.122 1.956 2.328 . 0 0 "[ . 1 . 2]" 1
627 1 34 LYS H 1 35 SER H 2.750 . 3.700 2.676 2.540 2.871 . 0 0 "[ . 1 . 2]" 1
628 1 65 VAL H 1 66 LYS H 3.650 . 5.500 4.241 4.192 4.285 . 0 0 "[ . 1 . 2]" 1
629 1 64 SER H 1 65 VAL H 3.650 . 5.500 4.311 4.258 4.360 . 0 0 "[ . 1 . 2]" 1
630 1 47 ILE H 1 50 SER H 3.650 . 5.500 5.145 4.811 5.384 . 0 0 "[ . 1 . 2]" 1
631 1 50 SER H 1 51 VAL H 2.750 . 3.700 2.658 2.406 2.854 . 0 0 "[ . 1 . 2]" 1
632 1 58 VAL MG1 1 61 LEU H 3.650 . 5.500 4.227 3.739 5.078 . 0 0 "[ . 1 . 2]" 1
633 1 8 LEU MD1 1 11 THR H 4.150 . 6.500 5.927 4.035 6.428 . 0 0 "[ . 1 . 2]" 1
634 1 70 VAL MG2 1 72 GLU H 2.750 . 3.700 2.072 1.766 3.319 0.034 18 0 "[ . 1 . 2]" 1
635 1 58 VAL MG2 1 61 LEU H 3.650 . 5.500 3.639 3.347 3.916 . 0 0 "[ . 1 . 2]" 1
636 1 8 LEU MD2 1 11 THR H 3.650 . 5.500 4.451 3.844 5.067 . 0 0 "[ . 1 . 2]" 1
637 1 5 VAL H 1 85 TRP HE1 4.150 . 6.500 6.130 5.049 6.542 0.042 15 0 "[ . 1 . 2]" 1
638 1 86 ILE MG 1 87 GLU H 2.750 . 3.700 2.207 2.080 2.320 . 0 0 "[ . 1 . 2]" 1
639 1 86 ILE H 1 86 ILE MG 2.750 . 3.700 2.117 2.027 2.197 . 0 0 "[ . 1 . 2]" 1
640 1 23 PRO HB2 1 24 SER H 3.650 . 5.500 3.906 3.799 3.994 . 0 0 "[ . 1 . 2]" 1
641 1 36 ASP HB3 1 37 GLU H 3.650 . 5.500 4.240 4.010 4.481 . 0 0 "[ . 1 . 2]" 1
642 1 54 HIS HB3 1 55 LEU H 3.650 . 5.500 4.390 4.165 4.480 . 0 0 "[ . 1 . 2]" 1
643 1 29 TYR H 1 29 TYR HB2 3.650 . 5.500 3.907 3.858 3.967 . 0 0 "[ . 1 . 2]" 1
644 1 29 TYR H 1 29 TYR HB3 3.650 . 5.500 3.310 3.263 3.360 . 0 0 "[ . 1 . 2]" 1
645 1 74 ASP HB2 1 77 VAL H 3.650 . 5.500 4.367 4.076 4.687 . 0 0 "[ . 1 . 2]" 1
646 1 74 ASP H 1 74 ASP HB2 2.750 . 3.700 2.631 2.441 2.833 . 0 0 "[ . 1 . 2]" 1
647 1 85 TRP HB2 1 86 ILE H 2.750 . 3.700 2.529 2.244 2.714 . 0 0 "[ . 1 . 2]" 1
648 1 85 TRP HB3 1 86 ILE H 3.650 . 5.500 3.359 3.227 3.501 . 0 0 "[ . 1 . 2]" 1
649 1 9 THR HA 1 10 GLU H 3.650 . 5.500 3.480 3.403 3.561 . 0 0 "[ . 1 . 2]" 1
650 1 86 ILE H 1 87 GLU HA 3.650 . 5.500 5.236 5.169 5.302 . 0 0 "[ . 1 . 2]" 1
651 1 77 VAL H 1 77 VAL HA 2.750 . 3.700 2.837 2.801 2.870 . 0 0 "[ . 1 . 2]" 1
652 1 55 LEU H 1 55 LEU HA 2.750 . 3.700 2.870 2.855 2.905 . 0 0 "[ . 1 . 2]" 1
653 1 87 GLU H 1 87 GLU HA 2.750 . 3.700 2.790 2.723 2.816 . 0 0 "[ . 1 . 2]" 1
654 1 11 THR H 1 11 THR HB 2.300 . 2.800 2.580 2.461 2.662 . 0 0 "[ . 1 . 2]" 1
655 1 9 THR HA 1 11 THR H 3.650 . 5.500 3.872 3.634 4.117 . 0 0 "[ . 1 . 2]" 1
656 1 50 SER HA 1 54 HIS H 3.650 . 5.500 4.092 3.686 4.427 . 0 0 "[ . 1 . 2]" 1
657 1 11 THR H 1 11 THR HA 2.750 . 3.700 2.874 2.811 2.909 . 0 0 "[ . 1 . 2]" 1
658 1 61 LEU H 1 62 CYS HB2 3.650 . 5.500 4.563 3.924 4.849 . 0 0 "[ . 1 . 2]" 1
659 1 60 GLU HB2 1 61 LEU H 3.650 . 5.500 3.869 3.740 4.068 . 0 0 "[ . 1 . 2]" 1
660 1 61 LEU H 1 61 LEU HB2 2.300 . 2.800 2.546 2.478 2.628 . 0 0 "[ . 1 . 2]" 1
661 1 77 VAL H 1 77 VAL HB 2.750 . 3.700 2.871 2.538 3.701 0.001 9 0 "[ . 1 . 2]" 1
662 1 96 VAL H 1 96 VAL HB 2.750 . 3.700 3.110 2.715 3.726 0.026 20 0 "[ . 1 . 2]" 1
663 1 10 GLU H 1 10 GLU HB3 2.750 . 3.700 3.627 3.573 3.673 . 0 0 "[ . 1 . 2]" 1
664 1 10 GLU H 1 10 GLU HB2 2.300 . 2.800 2.475 2.354 2.724 . 0 0 "[ . 1 . 2]" 1
665 1 10 GLU HB3 1 11 THR H 3.650 . 5.500 4.286 3.901 4.456 . 0 0 "[ . 1 . 2]" 1
666 1 10 GLU HB2 1 11 THR H 2.750 . 3.700 3.509 3.036 3.739 0.039 7 0 "[ . 1 . 2]" 1
667 1 110 VAL H 1 110 VAL HB 2.750 . 3.700 3.014 2.486 3.745 0.045 18 0 "[ . 1 . 2]" 1
668 1 8 LEU HA 1 10 GLU H 3.650 . 5.500 3.685 3.356 4.279 . 0 0 "[ . 1 . 2]" 1
669 1 23 PRO HB3 1 24 SER H 2.750 . 3.700 3.464 3.287 3.582 . 0 0 "[ . 1 . 2]" 1
670 1 33 ASP HB3 1 61 LEU H 4.150 . 6.500 5.531 5.187 5.747 . 0 0 "[ . 1 . 2]" 1
671 1 8 LEU HA 1 11 THR H 3.650 . 5.500 3.323 2.995 3.595 . 0 0 "[ . 1 . 2]" 1
672 1 87 GLU H 1 87 GLU HB2 2.750 . 3.700 2.450 2.312 2.558 . 0 0 "[ . 1 . 2]" 1
673 1 86 ILE H 1 87 GLU HB2 3.650 . 5.500 4.868 4.686 5.080 . 0 0 "[ . 1 . 2]" 1
674 1 32 TYR HB3 1 37 GLU H 3.650 . 5.500 3.566 2.647 4.216 . 0 0 "[ . 1 . 2]" 1
675 1 87 GLU H 1 87 GLU HG2 2.750 . 3.700 3.322 1.883 3.700 . 0 0 "[ . 1 . 2]" 1
676 1 107 PHE H 1 108 VAL H 2.750 . 3.700 2.478 2.294 2.698 . 0 0 "[ . 1 . 2]" 1
677 1 34 LYS H 1 34 LYS HA 2.750 . 3.700 2.804 2.770 2.861 . 0 0 "[ . 1 . 2]" 1
678 1 80 GLN HA 1 83 LYS H 2.750 . 3.700 3.537 3.390 3.722 0.022 15 0 "[ . 1 . 2]" 1
679 1 34 LYS H 1 35 SER HA 3.650 . 5.500 5.277 5.156 5.423 . 0 0 "[ . 1 . 2]" 1
680 1 34 LYS H 1 63 GLY HA2 3.650 . 5.500 4.370 3.846 4.861 . 0 0 "[ . 1 . 2]" 1
681 1 4 ALA HA 1 5 VAL H 2.300 . 2.800 2.230 2.049 2.722 . 0 0 "[ . 1 . 2]" 1
682 1 5 VAL H 1 5 VAL HA 2.750 . 3.700 2.864 2.761 2.942 . 0 0 "[ . 1 . 2]" 1
683 1 99 GLY HA2 1 100 ASN H 2.750 . 3.700 3.490 3.441 3.553 . 0 0 "[ . 1 . 2]" 1
684 1 98 PRO HA 1 100 ASN H 3.650 . 5.500 4.206 3.733 4.576 . 0 0 "[ . 1 . 2]" 1
685 1 35 SER H 1 35 SER HA 2.750 . 3.700 2.892 2.858 2.941 . 0 0 "[ . 1 . 2]" 1
686 1 13 LEU HA 1 65 VAL H 3.650 . 5.500 4.491 4.350 4.673 . 0 0 "[ . 1 . 2]" 1
687 1 45 ARG HA 1 46 ASN H 3.650 . 5.500 3.436 3.298 3.535 . 0 0 "[ . 1 . 2]" 1
688 1 31 VAL HA 1 65 VAL H 3.650 . 5.500 5.202 4.921 5.337 . 0 0 "[ . 1 . 2]" 1
689 1 15 PRO HA 1 65 VAL H 3.650 . 5.500 3.641 3.333 3.844 . 0 0 "[ . 1 . 2]" 1
690 1 33 ASP HA 1 34 LYS H 2.750 . 3.700 2.733 2.601 2.829 . 0 0 "[ . 1 . 2]" 1
691 1 33 ASP HA 1 35 SER H 3.650 . 5.500 4.437 4.246 4.589 . 0 0 "[ . 1 . 2]" 1
692 1 34 LYS HA 1 35 SER H 2.750 . 3.700 3.463 3.112 3.557 . 0 0 "[ . 1 . 2]" 1
693 1 110 VAL HA 1 111 THR H 2.750 . 3.700 2.741 1.995 3.553 . 0 0 "[ . 1 . 2]" 1
694 1 106 THR HA 1 107 PHE H 3.650 . 5.500 3.484 3.343 3.578 . 0 0 "[ . 1 . 2]" 1
695 1 33 ASP HB2 1 34 LYS H 2.750 . 3.700 2.072 1.858 2.284 . 0 0 "[ . 1 . 2]" 1
696 1 107 PHE H 1 107 PHE HA 2.750 . 3.700 2.871 2.836 2.904 . 0 0 "[ . 1 . 2]" 1
697 1 106 THR HB 1 107 PHE H 2.750 . 3.700 3.021 2.472 3.713 0.013 17 0 "[ . 1 . 2]" 1
698 1 34 LYS H 1 63 GLY HA3 3.650 . 5.500 3.589 3.091 4.083 . 0 0 "[ . 1 . 2]" 1
699 1 79 THR HA 1 83 LYS H 3.650 . 5.500 3.978 3.759 4.275 . 0 0 "[ . 1 . 2]" 1
700 1 33 ASP HB2 1 35 SER H 3.650 . 5.500 3.530 3.371 3.659 . 0 0 "[ . 1 . 2]" 1
701 1 27 GLY HA3 1 28 VAL H 2.750 . 3.700 2.159 2.083 2.202 . 0 0 "[ . 1 . 2]" 1
702 1 11 THR HB 1 67 VAL H 3.650 . 5.500 5.014 4.735 5.179 . 0 0 "[ . 1 . 2]" 1
703 1 108 VAL H 1 109 LYS HA 3.650 . 5.500 4.450 3.988 4.978 . 0 0 "[ . 1 . 2]" 1
704 1 108 VAL H 1 108 VAL HA 2.750 . 3.700 2.920 2.879 2.957 . 0 0 "[ . 1 . 2]" 1
705 1 103 GLY HA3 1 104 ASN H 3.650 . 5.500 2.755 2.153 3.517 . 0 0 "[ . 1 . 2]" 1
706 1 89 HIS H 1 89 HIS HA 2.750 . 3.700 2.858 2.819 2.884 . 0 0 "[ . 1 . 2]" 1
707 1 15 PRO HD3 1 65 VAL H 4.150 . 6.500 5.505 5.159 5.688 . 0 0 "[ . 1 . 2]" 1
708 1 64 SER HB3 1 65 VAL H 2.750 . 3.700 3.533 2.397 3.723 0.023 1 0 "[ . 1 . 2]" 1
709 1 59 PRO HD3 1 60 GLU H 3.650 . 5.500 4.084 3.701 4.316 . 0 0 "[ . 1 . 2]" 1
710 1 64 SER HB2 1 65 VAL H 2.750 . 3.700 2.657 2.253 3.653 . 0 0 "[ . 1 . 2]" 1
711 1 60 GLU H 1 60 GLU HA 2.750 . 3.700 2.823 2.759 2.859 . 0 0 "[ . 1 . 2]" 1
712 1 82 TRP HE3 1 83 LYS H 2.750 . 3.700 2.816 2.633 3.028 . 0 0 "[ . 1 . 2]" 1
713 1 60 GLU H 1 61 LEU H 2.750 . 3.700 2.625 2.408 2.794 . 0 0 "[ . 1 . 2]" 1
714 1 82 TRP H 1 82 TRP HE3 3.650 . 5.500 4.731 4.552 4.838 . 0 0 "[ . 1 . 2]" 1
715 1 34 LYS H 1 37 GLU H 3.650 . 5.500 5.270 5.081 5.451 . 0 0 "[ . 1 . 2]" 1
716 1 84 LEU H 1 86 ILE H 4.150 . 6.500 4.383 4.237 4.544 . 0 0 "[ . 1 . 2]" 1
717 1 67 VAL H 1 85 TRP HH2 3.650 . 5.500 4.525 4.019 4.908 . 0 0 "[ . 1 . 2]" 1
718 1 27 GLY HA2 1 28 VAL H 2.750 . 3.700 2.877 2.791 2.981 . 0 0 "[ . 1 . 2]" 1
719 1 66 LYS HA 1 67 VAL H 2.300 . 2.800 2.186 2.114 2.232 . 0 0 "[ . 1 . 2]" 1
720 1 105 ASN HA 1 107 PHE H 3.650 . 5.500 3.922 2.937 4.542 . 0 0 "[ . 1 . 2]" 1
721 1 58 VAL HA 1 60 GLU H 3.650 . 5.500 3.561 3.048 3.773 . 0 0 "[ . 1 . 2]" 1
722 1 60 GLU H 1 61 LEU HA 3.650 . 5.500 5.252 5.111 5.367 . 0 0 "[ . 1 . 2]" 1
723 1 100 ASN H 1 100 ASN HA 2.750 . 3.700 2.916 2.885 2.964 . 0 0 "[ . 1 . 2]" 1
724 1 105 ASN HA 1 108 VAL H 3.650 . 5.500 4.039 3.049 5.047 . 0 0 "[ . 1 . 2]" 1
725 1 64 SER HA 1 65 VAL H 2.300 . 2.800 2.444 2.321 2.543 . 0 0 "[ . 1 . 2]" 1
726 1 84 LEU H 1 85 TRP HD1 3.650 . 5.500 4.443 4.200 4.767 . 0 0 "[ . 1 . 2]" 1
727 1 89 HIS H 1 89 HIS HD2 3.650 . 5.500 3.797 2.713 5.512 0.012 7 0 "[ . 1 . 2]" 1
728 1 82 TRP HZ3 1 83 LYS H 3.650 . 5.500 5.056 4.827 5.261 . 0 0 "[ . 1 . 2]" 1
729 1 82 TRP H 1 82 TRP HD1 3.650 . 5.500 4.904 4.825 4.964 . 0 0 "[ . 1 . 2]" 1
730 1 107 PHE H 1 107 PHE QD 2.750 . 3.700 2.672 2.341 3.193 . 0 0 "[ . 1 . 2]" 1
731 1 107 PHE QD 1 108 VAL H 3.650 . 5.500 4.450 3.914 4.758 . 0 0 "[ . 1 . 2]" 1
732 1 29 TYR HA 1 67 VAL H 3.650 . 5.500 4.806 4.699 4.906 . 0 0 "[ . 1 . 2]" 1
733 1 33 ASP HB2 1 37 GLU H 3.650 . 5.500 5.130 4.858 5.471 . 0 0 "[ . 1 . 2]" 1
734 1 15 PRO HB2 1 16 ILE H 3.650 . 5.500 3.640 3.439 3.786 . 0 0 "[ . 1 . 2]" 1
735 1 98 PRO HB3 1 101 LYS H 3.650 . 5.500 5.363 5.144 5.520 0.020 18 0 "[ . 1 . 2]" 1
736 1 108 VAL HB 1 109 LYS H 3.650 . 5.500 3.692 2.687 4.404 . 0 0 "[ . 1 . 2]" 1
737 1 18 GLU H 1 18 GLU HB3 2.750 . 3.700 3.155 2.952 3.617 . 0 0 "[ . 1 . 2]" 1
738 1 66 LYS H 1 66 LYS QB 2.750 . 3.700 2.448 2.267 2.517 . 0 0 "[ . 1 . 2]" 1
739 1 30 ALA MB 1 66 LYS H 2.750 . 3.700 2.891 2.683 3.111 . 0 0 "[ . 1 . 2]" 1
740 1 100 ASN HB2 1 101 LYS H 3.650 . 5.500 3.601 2.773 4.244 . 0 0 "[ . 1 . 2]" 1
741 1 101 LYS H 1 101 LYS HB2 2.300 . 2.800 2.396 2.292 2.466 . 0 0 "[ . 1 . 2]" 1
742 1 87 GLU HG2 1 90 ILE H 4.150 . 6.500 5.409 5.074 6.178 . 0 0 "[ . 1 . 2]" 1
743 1 100 ASN HB3 1 101 LYS H 2.750 . 3.700 3.334 2.721 3.771 0.071 10 0 "[ . 1 . 2]" 1
744 1 47 ILE HA 1 48 ALA H 3.650 . 5.500 3.562 3.543 3.595 . 0 0 "[ . 1 . 2]" 1
745 1 85 TRP H 1 85 TRP HB2 2.750 . 3.700 2.369 2.311 2.484 . 0 0 "[ . 1 . 2]" 1
746 1 85 TRP H 1 85 TRP HB3 2.750 . 3.700 3.561 3.526 3.608 . 0 0 "[ . 1 . 2]" 1
747 1 32 TYR HB3 1 33 ASP H 2.750 . 3.700 3.094 2.822 3.268 . 0 0 "[ . 1 . 2]" 1
748 1 51 VAL H 1 51 VAL HB 2.300 . 2.800 2.495 2.438 2.598 . 0 0 "[ . 1 . 2]" 1
749 1 47 ILE HA 1 49 ALA H 3.650 . 5.500 4.640 4.040 4.990 . 0 0 "[ . 1 . 2]" 1
750 1 46 ASN HB2 1 49 ALA H 3.650 . 5.500 4.932 4.660 5.393 . 0 0 "[ . 1 . 2]" 1
751 1 31 VAL MG1 1 33 ASP H 3.650 . 5.500 4.365 4.165 4.520 . 0 0 "[ . 1 . 2]" 1
752 1 47 ILE HB 1 48 ALA H 2.750 . 3.700 2.403 2.283 2.530 . 0 0 "[ . 1 . 2]" 1
753 1 48 ALA H 1 48 ALA MB 2.300 . 2.800 2.225 2.204 2.248 . 0 0 "[ . 1 . 2]" 1
754 1 95 LYS H 1 95 LYS HB2 2.300 . 2.800 2.465 2.150 2.656 . 0 0 "[ . 1 . 2]" 1
755 1 78 LEU H 1 78 LEU HB3 2.750 . 3.700 3.612 3.591 3.636 . 0 0 "[ . 1 . 2]" 1
756 1 65 VAL MG2 1 66 LYS H 2.750 . 3.700 2.498 2.385 2.594 . 0 0 "[ . 1 . 2]" 1
757 1 14 LEU MD2 1 66 LYS H 3.650 . 5.500 5.359 4.961 5.520 0.020 15 0 "[ . 1 . 2]" 1
758 1 49 ALA H 1 49 ALA MB 2.300 . 2.800 2.245 2.216 2.279 . 0 0 "[ . 1 . 2]" 1
759 1 47 ILE HB 1 49 ALA H 3.650 . 5.500 5.178 4.891 5.475 . 0 0 "[ . 1 . 2]" 1
760 1 95 LYS H 1 95 LYS HB3 2.750 . 3.700 3.628 3.388 3.720 0.020 19 0 "[ . 1 . 2]" 1
761 1 90 ILE HB 1 91 LYS H 2.750 . 3.700 2.699 2.368 3.789 0.089 20 0 "[ . 1 . 2]" 1
762 1 91 LYS H 1 91 LYS HG3 2.750 . 3.700 2.586 2.089 3.700 0.000 7 0 "[ . 1 . 2]" 1
763 1 31 VAL H 1 31 VAL HB 2.750 . 3.700 2.552 2.464 2.681 . 0 0 "[ . 1 . 2]" 1
764 1 49 ALA MB 1 51 VAL H 3.650 . 5.500 4.577 4.387 4.780 . 0 0 "[ . 1 . 2]" 1
765 1 18 GLU H 1 19 ALA MB 3.650 . 5.500 4.470 4.170 4.691 . 0 0 "[ . 1 . 2]" 1
766 1 17 THR MG 1 18 GLU H 3.650 . 5.500 3.223 2.284 4.244 . 0 0 "[ . 1 . 2]" 1
767 1 91 LYS H 1 91 LYS HG2 3.650 . 5.500 3.300 2.056 3.974 . 0 0 "[ . 1 . 2]" 1
768 1 90 ILE H 1 90 ILE HB 2.750 . 3.700 2.625 2.491 3.692 . 0 0 "[ . 1 . 2]" 1
769 1 89 HIS HB3 1 90 ILE H 2.750 . 3.700 3.543 2.986 3.772 0.072 12 0 "[ . 1 . 2]" 1
770 1 51 VAL H 1 51 VAL HA 2.750 . 3.700 2.790 2.769 2.833 . 0 0 "[ . 1 . 2]" 1
771 1 88 GLU HA 1 91 LYS H 3.650 . 5.500 3.732 3.322 4.085 . 0 0 "[ . 1 . 2]" 1
772 1 33 ASP H 1 33 ASP HB2 3.650 . 5.500 3.669 3.589 3.708 . 0 0 "[ . 1 . 2]" 1
773 1 50 SER HA 1 51 VAL H 2.750 . 3.700 3.553 3.532 3.577 . 0 0 "[ . 1 . 2]" 1
774 1 87 GLU HA 1 90 ILE H 2.750 . 3.700 3.055 2.797 3.657 . 0 0 "[ . 1 . 2]" 1
775 1 16 ILE H 1 16 ILE HA 2.750 . 3.700 2.867 2.826 2.895 . 0 0 "[ . 1 . 2]" 1
776 1 91 LYS H 1 91 LYS HA 2.750 . 3.700 2.838 2.785 2.878 . 0 0 "[ . 1 . 2]" 1
777 1 90 ILE HA 1 91 LYS H 3.650 . 5.500 3.511 3.313 3.561 . 0 0 "[ . 1 . 2]" 1
778 1 46 ASN HA 1 49 ALA H 3.650 . 5.500 4.738 4.499 5.004 . 0 0 "[ . 1 . 2]" 1
779 1 85 TRP HA 1 88 GLU H 3.650 . 5.500 3.655 3.309 4.119 . 0 0 "[ . 1 . 2]" 1
780 1 101 LYS H 1 101 LYS HA 2.750 . 3.700 2.879 2.829 2.958 . 0 0 "[ . 1 . 2]" 1
781 1 93 THR HA 1 95 LYS H 3.650 . 5.500 4.839 4.483 5.143 . 0 0 "[ . 1 . 2]" 1
782 1 94 GLY HA3 1 95 LYS H 2.750 . 3.700 3.469 3.325 3.549 . 0 0 "[ . 1 . 2]" 1
783 1 46 ASN HA 1 48 ALA H 3.650 . 5.500 4.208 3.977 4.448 . 0 0 "[ . 1 . 2]" 1
784 1 24 SER HA 1 49 ALA H 3.650 . 5.500 3.942 3.620 4.574 . 0 0 "[ . 1 . 2]" 1
785 1 98 PRO HA 1 101 LYS H 2.750 . 3.700 3.386 3.147 3.549 . 0 0 "[ . 1 . 2]" 1
786 1 24 SER HA 1 48 ALA H 2.750 . 3.700 2.428 2.184 2.977 . 0 0 "[ . 1 . 2]" 1
787 1 16 ILE H 1 64 SER HB3 3.650 . 5.500 4.284 3.851 4.718 . 0 0 "[ . 1 . 2]" 1
788 1 33 ASP H 1 38 LEU HA 3.650 . 5.500 3.998 3.767 4.344 . 0 0 "[ . 1 . 2]" 1
789 1 29 TYR HB2 1 66 LYS H 3.650 . 5.500 4.415 4.242 4.583 . 0 0 "[ . 1 . 2]" 1
790 1 49 ALA H 1 49 ALA HA 2.750 . 3.700 2.813 2.779 2.874 . 0 0 "[ . 1 . 2]" 1
791 1 48 ALA HA 1 49 ALA H 2.750 . 3.700 3.535 3.451 3.587 . 0 0 "[ . 1 . 2]" 1
792 1 47 ILE HA 1 51 VAL H 3.650 . 5.500 3.896 3.616 4.084 . 0 0 "[ . 1 . 2]" 1
793 1 89 HIS HB2 1 90 ILE H 3.650 . 5.500 3.498 3.153 4.026 . 0 0 "[ . 1 . 2]" 1
794 1 29 TYR HB3 1 66 LYS H 4.150 . 6.500 5.912 5.731 6.074 . 0 0 "[ . 1 . 2]" 1
795 1 33 ASP H 1 33 ASP HB3 2.750 . 3.700 2.573 2.467 2.754 . 0 0 "[ . 1 . 2]" 1
796 1 23 PRO HD2 1 48 ALA H 3.650 . 5.500 5.337 5.010 5.506 0.006 8 0 "[ . 1 . 2]" 1
797 1 90 ILE HA 1 95 LYS H 2.750 . 3.700 2.940 2.227 3.530 . 0 0 "[ . 1 . 2]" 1
798 1 87 GLU HA 1 88 GLU H 3.650 . 5.500 3.522 3.452 3.575 . 0 0 "[ . 1 . 2]" 1
799 1 93 THR HB 1 95 LYS H 3.650 . 5.500 4.306 3.309 5.250 . 0 0 "[ . 1 . 2]" 1
800 1 94 GLY HA2 1 95 LYS H 2.750 . 3.700 2.959 2.839 3.137 . 0 0 "[ . 1 . 2]" 1
801 1 24 SER HB2 1 48 ALA H 3.650 . 5.500 4.859 4.585 5.318 . 0 0 "[ . 1 . 2]" 1
802 1 48 ALA H 1 48 ALA HA 2.750 . 3.700 2.743 2.706 2.789 . 0 0 "[ . 1 . 2]" 1
803 1 86 ILE HA 1 88 GLU H 3.650 . 5.500 4.283 4.098 4.421 . 0 0 "[ . 1 . 2]" 1
804 1 99 GLY HA3 1 101 LYS H 3.650 . 5.500 4.456 4.058 4.631 . 0 0 "[ . 1 . 2]" 1
805 1 31 VAL H 1 41 VAL MG2 3.650 . 5.500 5.299 5.115 5.486 . 0 0 "[ . 1 . 2]" 1
806 1 32 TYR HA 1 37 GLU H 3.650 . 5.500 4.101 3.369 4.408 . 0 0 "[ . 1 . 2]" 1
807 1 24 SER H 1 24 SER HA 2.750 . 3.700 2.891 2.859 2.918 . 0 0 "[ . 1 . 2]" 1
808 1 28 VAL HA 1 29 TYR H 2.300 . 2.800 2.287 2.241 2.347 . 0 0 "[ . 1 . 2]" 1
809 1 29 TYR H 1 43 ILE HA 2.750 . 3.700 3.405 3.232 3.583 . 0 0 "[ . 1 . 2]" 1
810 1 36 ASP HA 1 37 GLU H 2.750 . 3.700 2.868 2.294 3.062 . 0 0 "[ . 1 . 2]" 1
811 1 85 TRP HA 1 87 GLU H 3.650 . 5.500 4.593 4.417 4.966 . 0 0 "[ . 1 . 2]" 1
812 1 23 PRO HA 1 24 SER H 2.300 . 2.800 2.142 2.113 2.195 . 0 0 "[ . 1 . 2]" 1
813 1 37 GLU H 1 37 GLU HA 2.750 . 3.700 2.890 2.869 2.906 . 0 0 "[ . 1 . 2]" 1
814 1 54 HIS H 1 54 HIS HD2 3.650 . 5.500 3.254 3.017 3.411 . 0 0 "[ . 1 . 2]" 1
815 1 29 TYR H 1 29 TYR HD2 2.750 . 3.700 3.140 3.010 3.275 . 0 0 "[ . 1 . 2]" 1
816 1 85 TRP HD1 1 86 ILE H 3.650 . 5.500 4.877 4.690 5.008 . 0 0 "[ . 1 . 2]" 1
817 1 85 TRP HA 1 86 ILE H 3.650 . 5.500 3.575 3.543 3.611 . 0 0 "[ . 1 . 2]" 1
818 1 10 GLU HA 1 11 THR H 2.750 . 3.700 3.261 3.083 3.395 . 0 0 "[ . 1 . 2]" 1
819 1 7 SER HB3 1 10 GLU H 3.650 . 5.500 4.971 4.393 5.325 . 0 0 "[ . 1 . 2]" 1
820 1 60 GLU HA 1 61 LEU H 2.750 . 3.700 3.505 3.457 3.555 . 0 0 "[ . 1 . 2]" 1
821 1 85 TRP HA 1 89 HIS H 3.650 . 5.500 4.677 4.460 4.843 . 0 0 "[ . 1 . 2]" 1
822 1 24 SER H 1 24 SER HB2 3.650 . 5.500 3.489 3.389 3.618 . 0 0 "[ . 1 . 2]" 1
823 1 23 PRO HD2 1 24 SER H 4.150 . 6.500 5.522 5.470 5.588 . 0 0 "[ . 1 . 2]" 1
824 1 7 SER HA 1 10 GLU H 3.650 . 5.500 4.840 4.490 5.061 . 0 0 "[ . 1 . 2]" 1
825 1 10 GLU H 1 10 GLU HA 2.750 . 3.700 2.933 2.909 2.960 . 0 0 "[ . 1 . 2]" 1
826 1 61 LEU H 1 61 LEU HA 2.750 . 3.700 2.928 2.903 2.951 . 0 0 "[ . 1 . 2]" 1
827 1 72 GLU H 1 72 GLU HA 2.750 . 3.700 2.901 2.830 2.934 . 0 0 "[ . 1 . 2]" 1
828 1 84 LEU HA 1 86 ILE H 4.150 . 6.500 4.717 4.516 4.958 . 0 0 "[ . 1 . 2]" 1
829 1 109 LYS HA 1 110 VAL H 2.750 . 3.700 2.631 2.103 3.559 . 0 0 "[ . 1 . 2]" 1
830 1 96 VAL H 1 96 VAL HA 2.750 . 3.700 2.795 2.203 2.951 . 0 0 "[ . 1 . 2]" 1
831 1 73 PRO HA 1 74 ASP H 2.750 . 3.700 2.920 2.716 3.250 . 0 0 "[ . 1 . 2]" 1
832 1 70 VAL HA 1 72 GLU H 3.650 . 5.500 4.015 3.443 4.888 . 0 0 "[ . 1 . 2]" 1
833 1 71 GLU HA 1 72 GLU H 2.750 . 3.700 3.361 3.104 3.554 . 0 0 "[ . 1 . 2]" 1
834 1 24 SER H 1 48 ALA H 3.650 . 5.500 4.691 4.459 5.142 . 0 0 "[ . 1 . 2]" 1
835 1 47 ILE MG 1 48 ALA H 2.750 . 3.700 3.085 2.876 3.253 . 0 0 "[ . 1 . 2]" 1
836 1 47 ILE MG 1 49 ALA H 3.650 . 5.500 4.968 4.589 5.213 . 0 0 "[ . 1 . 2]" 1
837 1 43 ILE MD 1 80 GLN H 3.650 . 5.500 5.301 4.850 5.529 0.029 2 0 "[ . 1 . 2]" 1
838 1 22 ILE MG 1 48 ALA H 2.750 . 3.700 3.094 2.804 3.343 . 0 0 "[ . 1 . 2]" 1
839 1 31 VAL H 1 38 LEU MD2 2.750 . 3.700 2.627 2.472 2.779 . 0 0 "[ . 1 . 2]" 1
840 1 31 VAL H 1 38 LEU MD1 3.650 . 5.500 4.620 4.414 4.866 . 0 0 "[ . 1 . 2]" 1
841 1 22 ILE MG 1 49 ALA H 3.650 . 5.500 4.920 4.645 5.162 . 0 0 "[ . 1 . 2]" 1
842 1 33 ASP H 1 38 LEU MD2 4.150 . 6.500 5.163 4.900 5.405 . 0 0 "[ . 1 . 2]" 1
843 1 16 ILE H 1 16 ILE MG 2.300 . 2.800 2.128 1.991 2.236 . 0 0 "[ . 1 . 2]" 1
844 1 51 VAL H 1 51 VAL MG2 2.300 . 2.800 2.181 2.108 2.296 . 0 0 "[ . 1 . 2]" 1
845 1 91 LYS H 1 92 VAL MG1 4.150 . 6.500 4.200 3.764 4.503 . 0 0 "[ . 1 . 2]" 1
846 1 31 VAL H 1 41 VAL MG1 3.650 . 5.500 3.503 3.219 3.805 . 0 0 "[ . 1 . 2]" 1
847 1 31 VAL H 1 38 LEU HG 3.650 . 5.500 5.276 5.035 5.527 0.027 9 0 "[ . 1 . 2]" 1
848 1 90 ILE H 1 96 VAL MG2 4.150 . 6.500 5.482 4.397 6.515 0.015 6 0 "[ . 1 . 2]" 1
849 1 112 LEU MD1 1 113 GLU H 3.650 . 5.500 4.177 2.286 5.295 . 0 0 "[ . 1 . 2]" 1
850 1 91 LYS H 1 92 VAL MG2 4.150 . 6.500 5.065 3.943 6.131 . 0 0 "[ . 1 . 2]" 1
851 1 90 ILE MG 1 91 LYS H 2.750 . 3.700 3.406 3.189 3.772 0.072 20 0 "[ . 1 . 2]" 1
852 1 85 TRP H 1 86 ILE MG 3.650 . 5.500 4.072 3.942 4.200 . 0 0 "[ . 1 . 2]" 1
853 1 86 ILE H 1 87 GLU H 2.750 . 3.700 2.688 2.632 2.766 . 0 0 "[ . 1 . 2]" 1
854 1 54 HIS H 1 55 LEU H 2.750 . 3.700 2.620 2.506 2.715 . 0 0 "[ . 1 . 2]" 1
855 1 7 SER H 1 10 GLU H 3.650 . 5.500 3.799 3.296 4.410 . 0 0 "[ . 1 . 2]" 1
856 1 9 THR H 1 11 THR H 3.650 . 5.500 4.052 3.896 4.229 . 0 0 "[ . 1 . 2]" 1
857 1 8 LEU H 1 10 GLU H 3.650 . 5.500 4.228 3.854 4.643 . 0 0 "[ . 1 . 2]" 1
858 1 8 LEU MD2 1 85 TRP H 4.150 . 6.500 5.428 4.837 6.029 . 0 0 "[ . 1 . 2]" 1
859 1 29 TYR H 1 68 GLY H 3.650 . 5.500 4.741 4.620 4.860 . 0 0 "[ . 1 . 2]" 1
860 1 37 GLU H 1 39 GLN H 4.150 . 6.500 5.896 5.436 6.314 . 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 30
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 46.649
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0271
_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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.259 0.076 16 0 "[ . 1 . 2]"
1 10 GLU 0.538 0.098 7 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.619 0.084 13 0 "[ . 1 . 2]"
1 32 TYR 0.331 0.075 11 0 "[ . 1 . 2]"
1 38 LEU 0.103 0.026 10 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 HIS 0.619 0.084 13 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TRP 0.408 0.041 3 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TRP 0.569 0.098 7 0 "[ . 1 . 2]"
1 86 ILE 0.387 0.041 3 0 "[ . 1 . 2]"
1 89 HIS 0.737 0.076 16 0 "[ . 1 . 2]"
1 93 THR 0.043 0.027 19 0 "[ . 1 . 2]"
1 100 ASN 0.021 0.011 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 81 ALA MB 1 85 TRP HZ2 4.150 . 6.500 4.189 3.799 4.526 . 0 0 "[ . 1 . 2]" 2
2 1 82 TRP HZ2 1 86 ILE HG12 4.150 . 6.500 6.367 5.846 6.541 0.041 3 0 "[ . 1 . 2]" 2
3 1 82 TRP HZ2 1 100 ASN HD21 3.650 . 5.500 3.118 1.789 5.435 0.011 5 0 "[ . 1 . 2]" 2
4 1 28 VAL HB 1 85 TRP HZ2 4.150 . 6.500 4.997 2.868 6.144 . 0 0 "[ . 1 . 2]" 2
5 1 11 THR MG 1 85 TRP HZ2 2.750 . 3.700 2.791 2.474 3.215 . 0 0 "[ . 1 . 2]" 2
6 1 31 VAL HA 1 54 HIS HE1 3.650 . 5.500 5.524 5.393 5.584 0.084 13 0 "[ . 1 . 2]" 2
7 1 43 ILE MD 1 82 TRP HD1 3.650 . 5.500 4.233 3.632 4.470 . 0 0 "[ . 1 . 2]" 2
8 1 82 TRP HB2 1 82 TRP HD1 2.750 . 3.700 2.665 2.628 2.716 . 0 0 "[ . 1 . 2]" 2
9 1 89 HIS HE1 1 93 THR HB 4.150 . 6.500 5.604 3.845 6.527 0.027 19 0 "[ . 1 . 2]" 2
10 1 82 TRP HD1 1 86 ILE MG 3.650 . 5.500 5.475 5.268 5.530 0.030 16 0 "[ . 1 . 2]" 2
11 1 38 LEU HA 1 89 HIS HE1 4.150 . 6.500 5.276 4.942 5.688 . 0 0 "[ . 1 . 2]" 2
12 1 32 TYR HB3 1 89 HIS HE1 4.150 . 6.500 6.364 5.874 6.575 0.075 11 0 "[ . 1 . 2]" 2
13 1 41 VAL MG2 1 85 TRP HE3 3.650 . 5.500 4.439 4.109 4.943 . 0 0 "[ . 1 . 2]" 2
14 1 85 TRP HB2 1 85 TRP HD1 3.650 . 5.500 3.434 3.257 3.576 . 0 0 "[ . 1 . 2]" 2
15 1 10 GLU H 1 85 TRP HD1 4.150 . 6.500 6.465 6.011 6.598 0.098 7 0 "[ . 1 . 2]" 2
16 1 7 SER HA 1 85 TRP HD1 3.650 . 5.500 2.330 1.955 3.086 . 0 0 "[ . 1 . 2]" 2
17 1 30 ALA MB 1 85 TRP HE3 2.750 . 3.700 2.036 1.856 2.205 . 0 0 "[ . 1 . 2]" 2
18 1 82 TRP HE3 1 83 LYS HG3 3.650 . 5.500 3.792 1.972 5.068 . 0 0 "[ . 1 . 2]" 2
19 1 82 TRP HB2 1 82 TRP HE3 3.650 . 5.500 4.107 4.066 4.143 . 0 0 "[ . 1 . 2]" 2
20 1 79 THR MG 1 82 TRP HE3 3.650 . 5.500 3.187 2.764 3.646 . 0 0 "[ . 1 . 2]" 2
21 1 41 VAL HA 1 85 TRP HE3 3.650 . 5.500 4.428 4.003 4.836 . 0 0 "[ . 1 . 2]" 2
22 1 5 VAL MG1 1 85 TRP HH2 3.650 . 5.500 3.839 3.350 4.418 . 0 0 "[ . 1 . 2]" 2
23 1 54 HIS HB3 1 54 HIS HD2 3.650 . 5.500 2.700 2.661 2.756 . 0 0 "[ . 1 . 2]" 2
24 1 84 LEU HA 1 85 TRP HD1 3.650 . 5.500 4.782 4.637 4.945 . 0 0 "[ . 1 . 2]" 2
25 1 85 TRP HA 1 85 TRP HD1 2.300 . 2.800 2.632 2.491 2.831 0.031 20 0 "[ . 1 . 2]" 2
26 1 8 LEU MD2 1 89 HIS HE1 4.150 . 6.500 6.187 5.593 6.576 0.076 16 0 "[ . 1 . 2]" 2
27 1 38 LEU MD1 1 89 HIS HE1 3.650 . 5.500 5.256 4.503 5.526 0.026 10 0 "[ . 1 . 2]" 2
28 1 32 TYR QE 1 66 LYS QB 2.750 . 3.700 2.349 1.985 2.866 . 0 0 "[ . 1 . 2]" 2
29 1 11 THR MG 1 85 TRP HH2 2.750 . 3.700 2.316 2.090 2.519 . 0 0 "[ . 1 . 2]" 2
30 1 67 VAL HA 1 85 TRP HH2 3.650 . 5.500 3.061 2.671 3.383 . 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 593
_Distance_constraint_stats_list.Viol_count 412
_Distance_constraint_stats_list.Viol_total 238.889
_Distance_constraint_stats_list.Viol_max 0.133
_Distance_constraint_stats_list.Viol_rms 0.0070
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0290
_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 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.780 0.133 13 0 "[ . 1 . 2]"
1 6 LYS 0.431 0.115 9 0 "[ . 1 . 2]"
1 7 SER 0.336 0.079 14 0 "[ . 1 . 2]"
1 8 LEU 1.108 0.086 11 0 "[ . 1 . 2]"
1 9 THR 0.901 0.115 9 0 "[ . 1 . 2]"
1 10 GLU 0.043 0.043 10 0 "[ . 1 . 2]"
1 11 THR 0.644 0.080 14 0 "[ . 1 . 2]"
1 12 GLU 0.194 0.024 11 0 "[ . 1 . 2]"
1 13 LEU 0.738 0.082 13 0 "[ . 1 . 2]"
1 14 LEU 0.217 0.037 4 0 "[ . 1 . 2]"
1 15 PRO 0.126 0.054 3 0 "[ . 1 . 2]"
1 16 ILE 0.663 0.075 17 0 "[ . 1 . 2]"
1 17 THR 0.126 0.054 3 0 "[ . 1 . 2]"
1 18 GLU 0.015 0.015 14 0 "[ . 1 . 2]"
1 19 ALA 0.454 0.086 12 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.055 0.026 15 0 "[ . 1 . 2]"
1 22 ILE 1.178 0.086 12 0 "[ . 1 . 2]"
1 23 PRO 0.230 0.037 4 0 "[ . 1 . 2]"
1 24 SER 0.292 0.075 17 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.041 0.017 13 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.660 0.133 13 0 "[ . 1 . 2]"
1 29 TYR 0.268 0.063 9 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.043 0.040 13 0 "[ . 1 . 2]"
1 32 TYR 0.266 0.082 13 0 "[ . 1 . 2]"
1 33 ASP 0.016 0.011 13 0 "[ . 1 . 2]"
1 34 LYS 1.023 0.084 20 0 "[ . 1 . 2]"
1 35 SER 0.001 0.001 7 0 "[ . 1 . 2]"
1 36 ASP 0.121 0.071 19 0 "[ . 1 . 2]"
1 37 GLU 0.256 0.093 6 0 "[ . 1 . 2]"
1 38 LEU 0.126 0.045 1 0 "[ . 1 . 2]"
1 39 GLN 0.085 0.051 5 0 "[ . 1 . 2]"
1 40 PHE 0.057 0.026 20 0 "[ . 1 . 2]"
1 41 VAL 0.057 0.026 20 0 "[ . 1 . 2]"
1 42 GLY 0.249 0.063 9 0 "[ . 1 . 2]"
1 43 ILE 0.664 0.076 11 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ARG 0.002 0.002 15 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.071 0.026 10 0 "[ . 1 . 2]"
1 48 ALA 0.107 0.075 17 0 "[ . 1 . 2]"
1 49 ALA 0.072 0.042 16 0 "[ . 1 . 2]"
1 50 SER 0.072 0.042 16 0 "[ . 1 . 2]"
1 51 VAL 1.227 0.086 12 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.072 0.042 16 0 "[ . 1 . 2]"
1 54 HIS 0.045 0.041 10 0 "[ . 1 . 2]"
1 55 LEU 0.045 0.041 10 0 "[ . 1 . 2]"
1 56 LYS 0.420 0.132 14 0 "[ . 1 . 2]"
1 57 SER 0.008 0.008 11 0 "[ . 1 . 2]"
1 58 VAL 0.136 0.053 18 0 "[ . 1 . 2]"
1 59 PRO 0.004 0.003 6 0 "[ . 1 . 2]"
1 60 GLU 0.153 0.053 18 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.395 0.084 20 0 "[ . 1 . 2]"
1 63 GLY 0.070 0.026 2 0 "[ . 1 . 2]"
1 64 SER 0.705 0.073 17 0 "[ . 1 . 2]"
1 65 VAL 0.430 0.063 9 0 "[ . 1 . 2]"
1 66 LYS 0.007 0.007 13 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.434 0.074 12 0 "[ . 1 . 2]"
1 70 VAL 1.149 0.133 13 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.120 0.085 17 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.102 0.046 12 0 "[ . 1 . 2]"
1 76 ALA 0.606 0.073 14 0 "[ . 1 . 2]"
1 77 VAL 0.268 0.063 9 0 "[ . 1 . 2]"
1 78 LEU 0.156 0.039 16 0 "[ . 1 . 2]"
1 79 THR 0.256 0.051 6 0 "[ . 1 . 2]"
1 80 GLN 0.618 0.073 14 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TRP 0.405 0.079 2 0 "[ . 1 . 2]"
1 83 LYS 0.587 0.132 14 0 "[ . 1 . 2]"
1 84 LEU 0.737 0.079 14 0 "[ . 1 . 2]"
1 85 TRP 0.718 0.079 14 0 "[ . 1 . 2]"
1 86 ILE 0.502 0.081 3 0 "[ . 1 . 2]"
1 87 GLU 0.633 0.100 14 0 "[ . 1 . 2]"
1 88 GLU 0.632 0.100 14 0 "[ . 1 . 2]"
1 89 HIS 0.468 0.086 11 0 "[ . 1 . 2]"
1 90 ILE 0.082 0.043 14 0 "[ . 1 . 2]"
1 91 LYS 0.293 0.100 14 0 "[ . 1 . 2]"
1 92 VAL 0.019 0.019 9 0 "[ . 1 . 2]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.006 0.006 12 0 "[ . 1 . 2]"
1 95 LYS 0.319 0.080 1 0 "[ . 1 . 2]"
1 96 VAL 0.814 0.081 3 0 "[ . 1 . 2]"
1 98 PRO 0.757 0.126 2 0 "[ . 1 . 2]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.880 0.126 2 0 "[ . 1 . 2]"
1 104 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASN 0.043 0.043 14 0 "[ . 1 . 2]"
1 106 THR 0.094 0.051 4 0 "[ . 1 . 2]"
1 107 PHE 0.333 0.083 15 0 "[ . 1 . 2]"
1 108 VAL 0.334 0.083 15 0 "[ . 1 . 2]"
1 109 LYS 0.338 0.083 15 0 "[ . 1 . 2]"
1 110 VAL 0.057 0.026 20 0 "[ . 1 . 2]"
1 111 THR 0.263 0.064 16 0 "[ . 1 . 2]"
1 112 LEU 0.289 0.064 16 0 "[ . 1 . 2]"
1 113 GLU 0.025 0.025 4 0 "[ . 1 . 2]"
1 114 HIS 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 28 VAL QG 1 29 TYR QR 3.650 . 5.500 3.052 2.585 3.790 . 0 0 "[ . 1 . 2]" 3
2 1 6 LYS QD 1 84 LEU QD 2.750 . 3.700 2.638 2.030 3.713 0.013 8 0 "[ . 1 . 2]" 3
3 1 5 VAL QG 1 28 VAL QG 2.300 . 2.800 2.440 1.878 2.839 0.039 16 0 "[ . 1 . 2]" 3
4 1 56 LYS QB 1 56 LYS QE 2.750 . 3.700 2.487 1.903 3.459 . 0 0 "[ . 1 . 2]" 3
5 1 26 SER HB2 1 45 ARG HB3 3.650 . 5.500 3.248 2.816 3.911 . 0 0 "[ . 1 . 2]" 3
6 1 11 THR HA 1 12 GLU QG 2.750 . 3.700 3.160 3.097 3.223 . 0 0 "[ . 1 . 2]" 3
7 1 27 GLY HA2 1 28 VAL QG 2.750 . 3.700 2.877 2.704 3.031 . 0 0 "[ . 1 . 2]" 3
8 1 56 LYS HB3 1 56 LYS QE 2.750 . 3.700 2.734 1.895 3.470 . 0 0 "[ . 1 . 2]" 3
9 1 16 ILE MG 1 19 ALA MB 2.750 . 3.700 3.018 2.611 3.235 . 0 0 "[ . 1 . 2]" 3
10 1 4 ALA HA 1 5 VAL QG 3.650 . 5.500 3.144 2.874 3.430 . 0 0 "[ . 1 . 2]" 3
11 1 91 LYS QE 1 91 LYS HG2 2.300 . 2.800 2.219 2.088 2.691 . 0 0 "[ . 1 . 2]" 3
12 1 9 THR HA 1 10 GLU QG 3.650 . 5.500 3.859 3.389 4.162 . 0 0 "[ . 1 . 2]" 3
13 1 7 SER H 1 84 LEU QB 3.650 . 5.500 4.038 3.732 4.199 . 0 0 "[ . 1 . 2]" 3
14 1 5 VAL QG 1 6 LYS QD 3.650 . 5.500 4.004 2.977 4.847 . 0 0 "[ . 1 . 2]" 3
15 1 87 GLU HB3 1 91 LYS QE 2.750 . 3.700 2.842 1.942 3.800 0.100 14 0 "[ . 1 . 2]" 3
16 1 83 LYS HB2 1 83 LYS QE 2.750 . 3.700 2.393 1.789 3.424 0.011 4 0 "[ . 1 . 2]" 3
17 1 29 TYR QR 1 65 VAL QG 2.300 . 2.800 2.665 2.504 2.815 0.015 12 0 "[ . 1 . 2]" 3
18 1 86 ILE HB 1 90 ILE QG 3.650 . 5.500 2.691 1.868 3.553 . 0 0 "[ . 1 . 2]" 3
19 1 13 LEU HA 1 65 VAL QG 2.750 . 3.700 2.760 1.838 3.719 0.019 9 0 "[ . 1 . 2]" 3
20 1 22 ILE MG 1 29 TYR QR 4.150 . 6.500 4.799 4.578 5.063 . 0 0 "[ . 1 . 2]" 3
21 1 78 LEU H 1 78 LEU HB2 2.750 . 3.700 2.059 1.962 2.109 . 0 0 "[ . 1 . 2]" 3
22 1 72 GLU HB3 1 73 PRO HD2 2.300 . 2.800 1.945 1.901 1.973 . 0 0 "[ . 1 . 2]" 3
23 1 29 TYR H 1 65 VAL MG2 2.750 . 3.700 3.678 3.600 3.763 0.063 9 0 "[ . 1 . 2]" 3
24 1 37 GLU QB 1 38 LEU MD1 3.650 . 5.500 4.885 4.138 5.259 . 0 0 "[ . 1 . 2]" 3
25 1 14 LEU HB2 1 23 PRO HD2 3.650 . 5.500 2.759 2.662 2.820 . 0 0 "[ . 1 . 2]" 3
26 1 29 TYR QR 1 51 VAL HA 2.750 . 3.700 3.413 2.729 3.704 0.004 7 0 "[ . 1 . 2]" 3
27 1 29 TYR QR 1 51 VAL MG2 2.750 . 3.700 2.651 2.511 2.918 . 0 0 "[ . 1 . 2]" 3
28 1 32 TYR QE 1 65 VAL QG 3.650 . 5.500 4.918 4.576 5.272 . 0 0 "[ . 1 . 2]" 3
29 1 32 TYR QD 1 37 GLU QB 3.650 . 5.500 4.559 4.135 5.001 . 0 0 "[ . 1 . 2]" 3
30 1 14 LEU MD2 1 23 PRO HB3 2.750 . 3.700 2.886 2.624 3.042 . 0 0 "[ . 1 . 2]" 3
31 1 31 VAL QG 1 40 PHE QE 3.650 . 5.500 3.490 2.913 4.388 . 0 0 "[ . 1 . 2]" 3
32 1 12 GLU QG 1 13 LEU QD 3.650 . 5.500 5.116 5.011 5.264 . 0 0 "[ . 1 . 2]" 3
33 1 12 GLU QB 1 12 GLU QG 2.300 . 2.800 2.078 2.021 2.092 . 0 0 "[ . 1 . 2]" 3
34 1 73 PRO HA 1 73 PRO QB 2.300 . 2.800 2.167 2.144 2.191 . 0 0 "[ . 1 . 2]" 3
35 1 84 LEU QB 1 84 LEU QD 2.300 . 2.800 1.977 1.942 2.069 . 0 0 "[ . 1 . 2]" 3
36 1 18 GLU HB3 1 21 SER QB 3.650 . 5.500 3.793 2.245 4.551 . 0 0 "[ . 1 . 2]" 3
37 1 12 GLU QB 1 14 LEU MD2 2.750 . 3.700 2.518 2.170 2.752 . 0 0 "[ . 1 . 2]" 3
38 1 11 THR HA 1 66 LYS QB 3.650 . 5.500 4.082 3.805 4.233 . 0 0 "[ . 1 . 2]" 3
39 1 12 GLU QG 1 14 LEU HB3 4.150 . 6.500 4.904 2.942 5.551 . 0 0 "[ . 1 . 2]" 3
40 1 28 VAL QG 1 68 GLY HA3 2.750 . 3.700 2.433 2.059 2.938 . 0 0 "[ . 1 . 2]" 3
41 1 64 SER HA 1 65 VAL MG1 2.750 . 3.700 2.789 2.029 3.112 . 0 0 "[ . 1 . 2]" 3
42 1 29 TYR HD1 1 31 VAL QG 2.300 . 2.800 2.202 2.097 2.355 . 0 0 "[ . 1 . 2]" 3
43 1 26 SER HB3 1 45 ARG HB2 3.650 . 5.500 4.881 3.735 5.336 . 0 0 "[ . 1 . 2]" 3
44 1 75 LYS HA 1 78 LEU QD 2.300 . 2.800 1.925 1.850 2.005 . 0 0 "[ . 1 . 2]" 3
45 1 84 LEU H 1 84 LEU QD 2.300 . 2.800 2.528 2.051 2.868 0.068 15 0 "[ . 1 . 2]" 3
46 1 14 LEU QD 1 21 SER QB 2.750 . 3.700 3.245 2.310 3.726 0.026 15 0 "[ . 1 . 2]" 3
47 1 19 ALA HA 1 22 ILE HB 3.650 . 5.500 2.604 2.191 2.954 . 0 0 "[ . 1 . 2]" 3
48 1 75 LYS QD 1 78 LEU QD 2.300 . 2.800 2.318 1.992 2.837 0.037 12 0 "[ . 1 . 2]" 3
49 1 56 LYS HB2 1 56 LYS QE 2.750 . 3.700 3.402 2.008 3.832 0.132 14 0 "[ . 1 . 2]" 3
50 1 80 GLN QG 1 84 LEU QB 3.650 . 5.500 4.476 3.943 4.928 . 0 0 "[ . 1 . 2]" 3
51 1 42 GLY HA3 1 43 ILE MD 3.650 . 5.500 2.729 2.144 3.320 . 0 0 "[ . 1 . 2]" 3
52 1 27 GLY H 1 78 LEU QD 3.650 . 5.500 3.014 2.778 3.353 . 0 0 "[ . 1 . 2]" 3
53 1 34 LYS QD 1 62 CYS H 3.650 . 5.500 3.882 2.738 5.055 . 0 0 "[ . 1 . 2]" 3
54 1 43 ILE MG 1 75 LYS HD2 3.650 . 5.500 4.379 3.177 5.355 . 0 0 "[ . 1 . 2]" 3
55 1 29 TYR QR 1 47 ILE HG12 3.650 . 5.500 2.640 2.425 2.843 . 0 0 "[ . 1 . 2]" 3
56 1 14 LEU MD2 1 23 PRO HG3 2.750 . 3.700 3.187 3.018 3.703 0.003 6 0 "[ . 1 . 2]" 3
57 1 95 LYS H 1 95 LYS QG 2.750 . 3.700 2.645 2.112 3.401 . 0 0 "[ . 1 . 2]" 3
58 1 16 ILE MD 1 32 TYR HB2 3.650 . 5.500 3.742 3.306 4.243 . 0 0 "[ . 1 . 2]" 3
59 1 29 TYR QR 1 43 ILE MD 4.150 . 6.500 6.140 5.939 6.336 . 0 0 "[ . 1 . 2]" 3
60 1 19 ALA HA 1 56 LYS HG3 3.650 . 5.500 4.518 4.028 5.022 . 0 0 "[ . 1 . 2]" 3
61 1 109 LYS QD 1 109 LYS QG 2.300 . 2.800 2.052 2.004 2.100 . 0 0 "[ . 1 . 2]" 3
62 1 28 VAL QG 1 78 LEU HB2 3.650 . 5.500 4.616 4.202 5.056 . 0 0 "[ . 1 . 2]" 3
63 1 12 GLU QB 1 13 LEU QD 3.650 . 5.500 5.138 5.005 5.225 . 0 0 "[ . 1 . 2]" 3
64 1 34 LYS QD 1 63 GLY HA3 3.650 . 5.500 3.069 1.982 3.847 . 0 0 "[ . 1 . 2]" 3
65 1 16 ILE HA 1 22 ILE MD 2.750 . 3.700 2.677 2.501 2.969 . 0 0 "[ . 1 . 2]" 3
66 1 28 VAL QG 1 78 LEU QD 3.650 . 5.500 3.179 2.522 3.763 . 0 0 "[ . 1 . 2]" 3
67 1 95 LYS QE 1 95 LYS QG 2.750 . 3.700 2.362 2.084 2.783 . 0 0 "[ . 1 . 2]" 3
68 1 6 LYS QD 1 7 SER H 3.650 . 5.500 3.762 3.267 4.144 . 0 0 "[ . 1 . 2]" 3
69 1 95 LYS H 1 95 LYS QD 2.750 . 3.700 3.244 2.443 3.780 0.080 1 0 "[ . 1 . 2]" 3
70 1 5 VAL H 1 81 ALA MB 3.650 . 5.500 3.555 2.895 3.765 . 0 0 "[ . 1 . 2]" 3
71 1 29 TYR HB2 1 65 VAL QG 2.300 . 2.800 2.370 2.138 2.709 . 0 0 "[ . 1 . 2]" 3
72 1 70 VAL QG 1 73 PRO HA 3.650 . 5.500 2.446 2.046 3.262 . 0 0 "[ . 1 . 2]" 3
73 1 75 LYS HA 1 75 LYS QE 2.750 . 3.700 3.144 2.466 3.746 0.046 12 0 "[ . 1 . 2]" 3
74 1 29 TYR QE 1 65 VAL HB 3.650 . 5.500 4.880 4.614 5.158 . 0 0 "[ . 1 . 2]" 3
75 1 28 VAL QG 1 78 LEU HB2 3.650 . 5.500 4.670 4.049 5.253 . 0 0 "[ . 1 . 2]" 3
76 1 108 VAL HA 1 109 LYS QG 3.650 . 5.500 4.407 3.760 5.390 . 0 0 "[ . 1 . 2]" 3
77 1 90 ILE QG 1 96 VAL QG 2.750 . 3.700 2.729 1.869 3.743 0.043 14 0 "[ . 1 . 2]" 3
78 1 31 VAL QG 1 32 TYR HA 3.650 . 5.500 3.696 3.636 3.761 . 0 0 "[ . 1 . 2]" 3
79 1 6 LYS H 1 6 LYS QD 3.650 . 5.500 3.247 1.799 4.201 0.001 7 0 "[ . 1 . 2]" 3
80 1 101 LYS QD 1 101 LYS QE 2.300 . 2.800 2.030 1.946 2.095 . 0 0 "[ . 1 . 2]" 3
81 1 8 LEU MD2 1 9 THR HB 3.650 . 5.500 3.835 3.645 4.125 . 0 0 "[ . 1 . 2]" 3
82 1 71 GLU HA 1 71 GLU HB2 2.750 . 3.700 2.592 2.325 2.823 . 0 0 "[ . 1 . 2]" 3
83 1 45 ARG HA 1 78 LEU QD 3.650 . 5.500 3.678 3.410 4.068 . 0 0 "[ . 1 . 2]" 3
84 1 18 GLU HB2 1 21 SER QB 3.650 . 5.500 2.484 1.866 3.304 . 0 0 "[ . 1 . 2]" 3
85 1 75 LYS HA 1 75 LYS QG 2.300 . 2.800 2.577 2.395 2.767 . 0 0 "[ . 1 . 2]" 3
86 1 28 VAL QG 1 82 TRP HA 2.750 . 3.700 2.416 2.062 2.897 . 0 0 "[ . 1 . 2]" 3
87 1 29 TYR HA 1 29 TYR QR 3.650 . 5.500 3.704 3.681 3.719 . 0 0 "[ . 1 . 2]" 3
88 1 5 VAL HB 1 81 ALA MB 3.650 . 5.500 3.378 2.070 4.222 . 0 0 "[ . 1 . 2]" 3
89 1 29 TYR QR 1 47 ILE MG 2.750 . 3.700 2.490 2.278 2.742 . 0 0 "[ . 1 . 2]" 3
90 1 37 GLU QG 1 95 LYS QG 3.650 . 5.500 4.012 3.051 5.283 . 0 0 "[ . 1 . 2]" 3
91 1 98 PRO QD 1 101 LYS QG 3.650 . 5.500 4.728 4.219 5.150 . 0 0 "[ . 1 . 2]" 3
92 1 16 ILE MG 1 56 LYS HG2 3.650 . 5.500 5.031 4.688 5.219 . 0 0 "[ . 1 . 2]" 3
93 1 8 LEU MD2 1 85 TRP HD1 3.650 . 5.500 3.843 3.482 4.431 . 0 0 "[ . 1 . 2]" 3
94 1 113 GLU QB 1 113 GLU QG 2.300 . 2.800 2.057 1.990 2.091 . 0 0 "[ . 1 . 2]" 3
95 1 29 TYR QR 1 44 SER HB3 3.650 . 5.500 3.352 2.729 3.980 . 0 0 "[ . 1 . 2]" 3
96 1 51 VAL MG1 1 65 VAL HA 3.650 . 5.500 3.448 2.352 4.295 . 0 0 "[ . 1 . 2]" 3
97 1 5 VAL QG 1 10 GLU QG 3.650 . 5.500 4.184 3.518 5.543 0.043 10 0 "[ . 1 . 2]" 3
98 1 31 VAL QG 1 40 PHE QD 2.750 . 3.700 2.154 1.974 3.001 . 0 0 "[ . 1 . 2]" 3
99 1 86 ILE MD 1 96 VAL QG 2.750 . 3.700 2.420 1.948 3.195 . 0 0 "[ . 1 . 2]" 3
100 1 43 ILE HG13 1 75 LYS HA 3.650 . 5.500 2.250 2.068 2.538 . 0 0 "[ . 1 . 2]" 3
101 1 96 VAL QG 1 101 LYS QG 2.750 . 3.700 2.241 1.854 2.846 . 0 0 "[ . 1 . 2]" 3
102 1 10 GLU HA 1 10 GLU HB3 2.300 . 2.800 2.248 2.069 2.426 . 0 0 "[ . 1 . 2]" 3
103 1 16 ILE MG 1 32 TYR H 3.650 . 5.500 2.504 2.010 2.683 . 0 0 "[ . 1 . 2]" 3
104 1 24 SER H 1 25 ALA MB 3.650 . 5.500 3.794 3.628 3.958 . 0 0 "[ . 1 . 2]" 3
105 1 31 VAL QG 1 39 GLN H 3.650 . 5.500 4.249 4.080 4.428 . 0 0 "[ . 1 . 2]" 3
106 1 14 LEU HG 1 24 SER HB3 3.650 . 5.500 5.429 5.323 5.516 0.016 1 0 "[ . 1 . 2]" 3
107 1 14 LEU HB3 1 15 PRO HG2 3.650 . 5.500 4.141 3.246 4.640 . 0 0 "[ . 1 . 2]" 3
108 1 14 LEU HB2 1 65 VAL HA 3.650 . 5.500 4.896 4.722 5.066 . 0 0 "[ . 1 . 2]" 3
109 1 71 GLU HB2 1 71 GLU HG2 2.300 . 2.800 2.178 2.026 2.339 . 0 0 "[ . 1 . 2]" 3
110 1 83 LYS HA 1 84 LEU QD 3.650 . 5.500 4.075 3.875 4.350 . 0 0 "[ . 1 . 2]" 3
111 1 5 VAL HA 1 5 VAL HB 2.300 . 2.800 2.062 1.835 2.297 . 0 0 "[ . 1 . 2]" 3
112 1 107 PHE HA 1 107 PHE QE 3.650 . 5.500 4.373 4.208 4.483 . 0 0 "[ . 1 . 2]" 3
113 1 59 PRO HA 1 59 PRO HB3 2.750 . 3.700 2.227 2.198 2.288 . 0 0 "[ . 1 . 2]" 3
114 1 83 LYS HA 1 83 LYS QD 2.750 . 3.700 2.714 1.902 3.184 . 0 0 "[ . 1 . 2]" 3
115 1 110 VAL QG 1 111 THR HB 3.650 . 5.500 3.940 2.498 5.219 . 0 0 "[ . 1 . 2]" 3
116 1 27 GLY HA3 1 47 ILE MD 2.750 . 3.700 2.224 1.909 2.467 . 0 0 "[ . 1 . 2]" 3
117 1 86 ILE HG12 1 87 GLU HA 2.750 . 3.700 2.441 2.040 3.096 . 0 0 "[ . 1 . 2]" 3
118 1 22 ILE MG 1 51 VAL H 2.300 . 2.800 2.778 2.430 2.874 0.074 12 0 "[ . 1 . 2]" 3
119 1 86 ILE HG12 1 96 VAL HA 3.650 . 5.500 3.745 2.741 4.624 . 0 0 "[ . 1 . 2]" 3
120 1 76 ALA MB 1 80 GLN HB2 3.650 . 5.500 4.013 3.761 4.188 . 0 0 "[ . 1 . 2]" 3
121 1 89 HIS HB2 1 90 ILE MG 4.150 . 6.500 4.747 3.560 5.503 . 0 0 "[ . 1 . 2]" 3
122 1 19 ALA HA 1 20 ASP HB3 4.150 . 6.500 4.367 3.707 4.978 . 0 0 "[ . 1 . 2]" 3
123 1 14 LEU MD2 1 23 PRO HG2 2.750 . 3.700 3.610 3.319 3.737 0.037 4 0 "[ . 1 . 2]" 3
124 1 19 ALA HA 1 22 ILE MD 2.300 . 2.800 2.807 2.665 2.886 0.086 12 0 "[ . 1 . 2]" 3
125 1 41 VAL MG2 1 86 ILE MD 2.300 . 2.800 2.246 1.930 2.702 . 0 0 "[ . 1 . 2]" 3
126 1 6 LYS H 1 81 ALA MB 4.150 . 6.500 4.376 4.065 4.636 . 0 0 "[ . 1 . 2]" 3
127 1 95 LYS QE 1 96 VAL H 3.650 . 5.500 5.033 4.420 5.465 . 0 0 "[ . 1 . 2]" 3
128 1 25 ALA MB 1 29 TYR HA 3.650 . 5.500 3.746 3.687 3.799 . 0 0 "[ . 1 . 2]" 3
129 1 107 PHE HB2 1 108 VAL HB 3.650 . 5.500 5.119 3.736 5.583 0.083 15 0 "[ . 1 . 2]" 3
130 1 19 ALA HA 1 20 ASP HB2 4.150 . 6.500 5.199 4.838 5.382 . 0 0 "[ . 1 . 2]" 3
131 1 51 VAL MG1 1 54 HIS HB3 3.650 . 5.500 4.612 3.262 5.259 . 0 0 "[ . 1 . 2]" 3
132 1 24 SER H 1 67 VAL MG1 3.650 . 5.500 4.795 4.605 4.894 . 0 0 "[ . 1 . 2]" 3
133 1 11 THR MG 1 12 GLU QG 2.750 . 3.700 3.230 2.813 3.690 . 0 0 "[ . 1 . 2]" 3
134 1 32 TYR QE 1 41 VAL MG1 3.650 . 5.500 4.259 4.054 4.466 . 0 0 "[ . 1 . 2]" 3
135 1 85 TRP H 1 86 ILE MD 3.650 . 5.500 5.240 4.255 5.557 0.057 14 0 "[ . 1 . 2]" 3
136 1 55 LEU MD2 1 65 VAL HA 3.650 . 5.500 3.912 2.952 5.415 . 0 0 "[ . 1 . 2]" 3
137 1 28 VAL H 1 82 TRP HB2 4.150 . 6.500 5.091 4.897 5.289 . 0 0 "[ . 1 . 2]" 3
138 1 58 VAL MG2 1 107 PHE QE 3.650 . 5.500 2.960 2.343 3.616 . 0 0 "[ . 1 . 2]" 3
139 1 5 VAL MG1 1 28 VAL MG1 2.750 . 3.700 3.121 1.991 3.833 0.133 13 0 "[ . 1 . 2]" 3
140 1 80 GLN HE22 1 84 LEU MD2 3.650 . 5.500 3.835 3.407 4.035 . 0 0 "[ . 1 . 2]" 3
141 1 16 ILE MG 1 65 VAL HB 2.300 . 2.800 2.435 2.142 2.630 . 0 0 "[ . 1 . 2]" 3
142 1 93 THR MG 1 95 LYS HB3 3.650 . 5.500 4.263 3.510 4.767 . 0 0 "[ . 1 . 2]" 3
143 1 58 VAL MG1 1 107 PHE QE 3.650 . 5.500 2.700 2.205 4.036 . 0 0 "[ . 1 . 2]" 3
144 1 10 GLU HB2 1 11 THR HA 3.650 . 5.500 3.837 3.518 4.038 . 0 0 "[ . 1 . 2]" 3
145 1 59 PRO HB3 1 59 PRO HD3 2.300 . 2.800 2.160 2.139 2.190 . 0 0 "[ . 1 . 2]" 3
146 1 86 ILE HB 1 87 GLU HG2 3.650 . 5.500 5.263 4.741 5.581 0.081 3 0 "[ . 1 . 2]" 3
147 1 37 GLU QB 1 93 THR HB 4.150 . 6.500 4.613 3.097 5.349 . 0 0 "[ . 1 . 2]" 3
148 1 75 LYS HA 1 75 LYS QG 2.750 . 3.700 2.603 2.417 2.798 . 0 0 "[ . 1 . 2]" 3
149 1 57 SER QB 1 58 VAL MG2 3.650 . 5.500 3.475 2.465 4.260 . 0 0 "[ . 1 . 2]" 3
150 1 36 ASP H 1 37 GLU QB 2.750 . 3.700 3.349 2.872 3.612 . 0 0 "[ . 1 . 2]" 3
151 1 31 VAL MG2 1 51 VAL HA 3.650 . 5.500 3.906 3.558 4.101 . 0 0 "[ . 1 . 2]" 3
152 1 43 ILE HB 1 43 ILE MD 2.750 . 3.700 2.459 2.378 2.515 . 0 0 "[ . 1 . 2]" 3
153 1 14 LEU MD2 1 15 PRO HD2 3.650 . 5.500 4.546 3.971 4.776 . 0 0 "[ . 1 . 2]" 3
154 1 18 GLU HA 1 18 GLU HG3 2.750 . 3.700 2.782 2.347 3.265 . 0 0 "[ . 1 . 2]" 3
155 1 93 THR HB 1 95 LYS HB3 4.150 . 6.500 4.213 2.370 5.960 . 0 0 "[ . 1 . 2]" 3
156 1 56 LYS HA 1 56 LYS HG3 2.750 . 3.700 3.160 2.457 3.334 . 0 0 "[ . 1 . 2]" 3
157 1 8 LEU MD1 1 11 THR HA 3.650 . 5.500 4.283 3.451 4.880 . 0 0 "[ . 1 . 2]" 3
158 1 14 LEU MD1 1 15 PRO HD2 2.750 . 3.700 2.854 2.273 3.188 . 0 0 "[ . 1 . 2]" 3
159 1 17 THR H 1 18 GLU HG3 3.650 . 5.500 4.116 3.049 4.690 . 0 0 "[ . 1 . 2]" 3
160 1 111 THR HA 1 112 LEU MD2 2.750 . 3.700 2.489 1.997 3.758 0.058 3 0 "[ . 1 . 2]" 3
161 1 31 VAL QG 1 58 VAL MG1 4.150 . 6.500 4.402 4.082 5.620 . 0 0 "[ . 1 . 2]" 3
162 1 111 THR HA 1 112 LEU MD1 2.750 . 3.700 2.693 2.013 3.764 0.064 16 0 "[ . 1 . 2]" 3
163 1 86 ILE HG12 1 86 ILE MG 2.300 . 2.800 2.346 2.234 2.478 . 0 0 "[ . 1 . 2]" 3
164 1 41 VAL MG2 1 86 ILE HG12 3.650 . 5.500 3.443 2.956 3.864 . 0 0 "[ . 1 . 2]" 3
165 1 70 VAL MG2 1 74 ASP HB2 3.650 . 5.500 5.060 4.769 5.462 . 0 0 "[ . 1 . 2]" 3
166 1 42 GLY H 1 43 ILE MD 4.150 . 6.500 5.216 4.921 5.422 . 0 0 "[ . 1 . 2]" 3
167 1 55 LEU QB 1 55 LEU MD2 2.300 . 2.800 1.978 1.963 1.995 . 0 0 "[ . 1 . 2]" 3
168 1 8 LEU MD1 1 11 THR MG 3.650 . 5.500 4.409 4.203 4.575 . 0 0 "[ . 1 . 2]" 3
169 1 37 GLU H 1 38 LEU MD2 3.650 . 5.500 4.900 4.761 5.103 . 0 0 "[ . 1 . 2]" 3
170 1 24 SER HB2 1 49 ALA H 2.750 . 3.700 3.576 3.418 3.742 0.042 16 0 "[ . 1 . 2]" 3
171 1 51 VAL MG2 1 52 SER H 3.650 . 3.700 3.480 3.373 3.550 . 0 0 "[ . 1 . 2]" 3
172 1 43 ILE HB 1 43 ILE MG 2.300 . 2.800 1.940 1.866 1.995 . 0 0 "[ . 1 . 2]" 3
173 1 13 LEU MD2 1 65 VAL HB 2.750 . 3.700 2.633 2.162 3.534 . 0 0 "[ . 1 . 2]" 3
174 1 8 LEU HB3 1 84 LEU QB 3.650 . 5.500 2.806 2.412 3.186 . 0 0 "[ . 1 . 2]" 3
175 1 82 TRP HB2 1 86 ILE MD 4.150 . 6.500 5.853 4.191 6.380 . 0 0 "[ . 1 . 2]" 3
176 1 86 ILE HA 1 86 ILE HG12 2.300 . 2.800 2.255 1.928 2.395 . 0 0 "[ . 1 . 2]" 3
177 1 47 ILE HA 1 47 ILE MD 2.750 . 3.700 2.324 2.299 2.361 . 0 0 "[ . 1 . 2]" 3
178 1 4 ALA H 1 70 VAL HB 3.650 . 5.500 4.447 4.009 4.774 . 0 0 "[ . 1 . 2]" 3
179 1 51 VAL HA 1 55 LEU QB 3.650 . 5.500 3.370 3.000 3.853 . 0 0 "[ . 1 . 2]" 3
180 1 13 LEU HB2 1 64 SER HB3 4.150 . 6.500 5.685 4.973 5.893 . 0 0 "[ . 1 . 2]" 3
181 1 13 LEU HG 1 64 SER HB3 3.650 . 5.500 4.267 3.584 4.516 . 0 0 "[ . 1 . 2]" 3
182 1 93 THR MG 1 95 LYS HB2 3.650 . 5.500 3.610 2.248 4.576 . 0 0 "[ . 1 . 2]" 3
183 1 106 THR HA 1 107 PHE HB2 3.650 . 5.500 4.239 2.334 5.535 0.035 1 0 "[ . 1 . 2]" 3
184 1 55 LEU MD2 1 58 VAL MG2 2.750 . 3.700 3.021 2.377 3.568 . 0 0 "[ . 1 . 2]" 3
185 1 28 VAL HB 1 43 ILE MG 2.750 . 3.700 2.815 1.941 3.702 0.002 13 0 "[ . 1 . 2]" 3
186 1 56 LYS H 1 56 LYS HG3 2.750 . 3.700 2.401 2.272 2.832 . 0 0 "[ . 1 . 2]" 3
187 1 8 LEU HB2 1 30 ALA MB 3.650 . 5.500 3.569 3.265 3.888 . 0 0 "[ . 1 . 2]" 3
188 1 30 ALA MB 1 32 TYR QE 3.650 . 5.500 2.276 2.007 2.792 . 0 0 "[ . 1 . 2]" 3
189 1 45 ARG H 1 45 ARG HG3 3.650 . 5.500 3.896 2.227 4.405 . 0 0 "[ . 1 . 2]" 3
190 1 110 VAL HA 1 110 VAL QG 2.300 . 2.800 2.253 2.139 2.389 . 0 0 "[ . 1 . 2]" 3
191 1 89 HIS HB3 1 92 VAL MG2 3.650 . 5.500 3.636 2.291 5.312 . 0 0 "[ . 1 . 2]" 3
192 1 16 ILE HG12 1 63 GLY H 3.650 . 5.500 5.077 4.176 5.526 0.026 2 0 "[ . 1 . 2]" 3
193 1 14 LEU MD1 1 15 PRO HB2 3.650 . 5.500 4.809 4.652 4.906 . 0 0 "[ . 1 . 2]" 3
194 1 80 GLN HG2 1 84 LEU QD 2.750 . 3.700 2.545 2.227 2.917 . 0 0 "[ . 1 . 2]" 3
195 1 13 LEU QD 1 15 PRO HB2 3.650 . 5.500 5.035 4.753 5.341 . 0 0 "[ . 1 . 2]" 3
196 1 41 VAL HB 1 86 ILE MD 3.650 . 5.500 4.686 4.163 5.017 . 0 0 "[ . 1 . 2]" 3
197 1 80 GLN HG3 1 84 LEU QD 2.750 . 3.700 3.243 2.732 3.713 0.013 20 0 "[ . 1 . 2]" 3
198 1 34 LYS QD 1 63 GLY H 3.650 . 5.500 4.666 4.035 5.525 0.025 14 0 "[ . 1 . 2]" 3
199 1 28 VAL HA 1 28 VAL QG 2.750 . 3.700 2.309 2.194 2.395 . 0 0 "[ . 1 . 2]" 3
200 1 34 LYS H 1 34 LYS QD 2.750 . 3.700 2.738 1.758 3.703 0.042 7 0 "[ . 1 . 2]" 3
201 1 5 VAL QG 1 68 GLY HA2 2.750 . 3.700 2.524 1.993 3.164 . 0 0 "[ . 1 . 2]" 3
202 1 15 PRO HB2 1 16 ILE HG13 3.650 . 5.500 3.040 1.847 4.396 . 0 0 "[ . 1 . 2]" 3
203 1 39 GLN QB 1 61 LEU MD1 3.650 . 5.500 2.312 2.058 2.751 . 0 0 "[ . 1 . 2]" 3
204 1 15 PRO HA 1 65 VAL QG 3.650 . 5.500 4.206 4.007 4.443 . 0 0 "[ . 1 . 2]" 3
205 1 79 THR MG 1 80 GLN HG3 3.650 . 5.500 5.130 5.033 5.236 . 0 0 "[ . 1 . 2]" 3
206 1 60 GLU QG 1 61 LEU MD1 3.650 . 5.500 4.392 3.625 5.049 . 0 0 "[ . 1 . 2]" 3
207 1 42 GLY HA3 1 43 ILE MG 3.650 . 5.500 2.181 2.049 2.355 . 0 0 "[ . 1 . 2]" 3
208 1 16 ILE MG 1 32 TYR HB2 3.650 . 5.500 4.403 4.085 4.660 . 0 0 "[ . 1 . 2]" 3
209 1 76 ALA MB 1 80 GLN QG 3.650 . 5.500 5.403 5.026 5.573 0.073 14 0 "[ . 1 . 2]" 3
210 1 12 GLU QG 1 14 LEU MD2 2.300 . 2.800 2.198 2.021 2.467 . 0 0 "[ . 1 . 2]" 3
211 1 86 ILE HG12 1 87 GLU HG2 3.650 . 5.500 3.895 3.555 4.583 . 0 0 "[ . 1 . 2]" 3
212 1 86 ILE MD 1 87 GLU HG2 3.650 . 5.500 3.133 2.086 3.621 . 0 0 "[ . 1 . 2]" 3
213 1 12 GLU QB 1 67 VAL H 3.650 . 5.500 4.805 4.519 5.107 . 0 0 "[ . 1 . 2]" 3
214 1 5 VAL HB 1 6 LYS H 3.650 . 5.500 3.905 3.169 4.181 . 0 0 "[ . 1 . 2]" 3
215 1 114 HIS H 1 114 HIS QB 3.650 . 5.500 2.648 2.254 3.323 . 0 0 "[ . 1 . 2]" 3
216 1 46 ASN HB2 1 48 ALA MB 3.650 . 5.500 3.915 3.615 4.451 . 0 0 "[ . 1 . 2]" 3
217 1 5 VAL QG 1 68 GLY HA3 2.750 . 3.700 2.276 1.975 2.631 . 0 0 "[ . 1 . 2]" 3
218 1 29 TYR HB2 1 67 VAL MG1 2.750 . 3.700 2.531 2.313 2.786 . 0 0 "[ . 1 . 2]" 3
219 1 58 VAL MG1 1 60 GLU QG 3.650 . 5.500 5.197 4.291 5.553 0.053 18 0 "[ . 1 . 2]" 3
220 1 87 GLU HG2 1 91 LYS QE 4.150 . 6.500 4.937 3.001 6.505 0.005 14 0 "[ . 1 . 2]" 3
221 1 43 ILE MG 1 78 LEU HB2 3.650 . 5.500 3.359 3.161 3.677 . 0 0 "[ . 1 . 2]" 3
222 1 28 VAL HB 1 43 ILE MG 2.300 . 2.800 2.005 1.796 2.394 0.004 7 0 "[ . 1 . 2]" 3
223 1 21 SER HA 1 22 ILE HB 3.650 . 5.500 4.925 4.882 4.981 . 0 0 "[ . 1 . 2]" 3
224 1 5 VAL QG 1 70 VAL HB 2.750 . 3.700 3.151 2.292 3.823 0.123 20 0 "[ . 1 . 2]" 3
225 1 5 VAL QG 1 81 ALA MB 3.650 . 5.500 3.239 2.019 4.247 . 0 0 "[ . 1 . 2]" 3
226 1 33 ASP HB3 1 60 GLU QG 3.650 . 5.500 5.054 4.554 5.511 0.011 13 0 "[ . 1 . 2]" 3
227 1 80 GLN QG 1 81 ALA MB 3.650 . 5.500 4.213 3.928 4.401 . 0 0 "[ . 1 . 2]" 3
228 1 12 GLU QG 1 13 LEU HB3 4.150 . 6.500 5.721 5.556 5.802 . 0 0 "[ . 1 . 2]" 3
229 1 95 LYS HB3 1 95 LYS QD 2.750 . 3.700 2.550 2.267 3.335 . 0 0 "[ . 1 . 2]" 3
230 1 22 ILE HB 1 67 VAL MG1 3.650 . 5.500 4.126 4.059 4.180 . 0 0 "[ . 1 . 2]" 3
231 1 12 GLU HA 1 12 GLU QB 2.300 . 2.800 2.179 2.163 2.194 . 0 0 "[ . 1 . 2]" 3
232 1 28 VAL QG 1 68 GLY HA2 3.650 . 5.500 4.166 3.624 5.064 . 0 0 "[ . 1 . 2]" 3
233 1 16 ILE MG 1 17 THR HA 3.650 . 5.500 5.066 4.937 5.184 . 0 0 "[ . 1 . 2]" 3
234 1 109 LYS HA 1 109 LYS QB 2.300 . 2.800 2.385 2.180 2.487 . 0 0 "[ . 1 . 2]" 3
235 1 114 HIS HA 1 114 HIS QB 2.300 . 2.800 2.381 2.182 2.476 . 0 0 "[ . 1 . 2]" 3
236 1 27 GLY HA2 1 70 VAL HB 3.650 . 5.500 4.092 3.408 4.479 . 0 0 "[ . 1 . 2]" 3
237 1 75 LYS HA 1 79 THR MG 2.300 . 2.800 2.354 2.281 2.390 . 0 0 "[ . 1 . 2]" 3
238 1 91 LYS HA 1 91 LYS QB 2.300 . 2.800 2.348 2.160 2.443 . 0 0 "[ . 1 . 2]" 3
239 1 80 GLN QB 1 80 GLN HG3 2.300 . 2.800 2.312 2.269 2.360 . 0 0 "[ . 1 . 2]" 3
240 1 59 PRO HB2 1 59 PRO QG 2.300 . 2.800 2.225 2.177 2.259 . 0 0 "[ . 1 . 2]" 3
241 1 5 VAL HA 1 5 VAL QG 2.300 . 2.800 2.212 2.110 2.364 . 0 0 "[ . 1 . 2]" 3
242 1 98 PRO HB3 1 101 LYS QE 3.650 . 5.500 5.002 4.052 5.402 . 0 0 "[ . 1 . 2]" 3
243 1 29 TYR HB2 1 41 VAL HB 3.650 . 5.500 4.855 4.760 4.986 . 0 0 "[ . 1 . 2]" 3
244 1 34 LYS HB3 1 34 LYS QE 3.650 . 5.500 3.506 2.004 4.491 . 0 0 "[ . 1 . 2]" 3
245 1 77 VAL H 1 77 VAL HB 2.750 . 3.700 2.591 2.278 3.420 . 0 0 "[ . 1 . 2]" 3
246 1 23 PRO HD2 1 47 ILE MG 2.750 . 3.700 3.524 3.297 3.726 0.026 10 0 "[ . 1 . 2]" 3
247 1 113 GLU H 1 113 GLU QB 3.650 . 5.500 2.692 2.252 3.431 . 0 0 "[ . 1 . 2]" 3
248 1 12 GLU QB 1 13 LEU H 2.300 . 2.800 2.572 2.424 2.717 . 0 0 "[ . 1 . 2]" 3
249 1 19 ALA MB 1 20 ASP QB 3.650 . 5.500 4.033 3.775 4.224 . 0 0 "[ . 1 . 2]" 3
250 1 68 GLY HA3 1 81 ALA MB 4.150 . 6.500 3.942 3.779 4.083 . 0 0 "[ . 1 . 2]" 3
251 1 28 VAL QG 1 78 LEU HA 3.650 . 5.500 3.367 2.619 4.038 . 0 0 "[ . 1 . 2]" 3
252 1 5 VAL H 1 5 VAL HB 2.750 . 3.700 2.508 2.169 2.737 . 0 0 "[ . 1 . 2]" 3
253 1 23 PRO HD2 1 67 VAL MG1 3.650 . 5.500 2.547 2.174 3.026 . 0 0 "[ . 1 . 2]" 3
254 1 43 ILE MG 1 78 LEU HA 2.750 . 3.700 2.870 2.706 3.103 . 0 0 "[ . 1 . 2]" 3
255 1 23 PRO HD2 1 65 VAL QG 3.650 . 5.500 4.752 4.408 5.110 . 0 0 "[ . 1 . 2]" 3
256 1 23 PRO HD3 1 67 VAL MG1 3.650 . 5.500 3.883 3.469 4.286 . 0 0 "[ . 1 . 2]" 3
257 1 58 VAL MG1 1 59 PRO HD3 4.150 . 6.500 3.982 3.526 4.270 . 0 0 "[ . 1 . 2]" 3
258 1 43 ILE MG 1 82 TRP HA 2.750 . 3.700 3.170 3.059 3.325 . 0 0 "[ . 1 . 2]" 3
259 1 57 SER QB 1 58 VAL MG1 3.650 . 5.500 2.933 2.713 3.718 . 0 0 "[ . 1 . 2]" 3
260 1 78 LEU H 1 78 LEU QD 2.750 . 3.700 3.084 3.019 3.172 . 0 0 "[ . 1 . 2]" 3
261 1 112 LEU H 1 112 LEU MD1 3.650 . 5.500 3.244 1.775 3.934 0.025 4 0 "[ . 1 . 2]" 3
262 1 112 LEU HB2 1 112 LEU MD2 2.300 . 2.800 2.021 1.961 2.113 . 0 0 "[ . 1 . 2]" 3
263 1 77 VAL MG2 1 78 LEU H 2.300 . 2.800 2.193 1.905 2.529 . 0 0 "[ . 1 . 2]" 3
264 1 79 THR MG 1 80 GLN H 2.750 . 3.700 3.612 3.490 3.669 . 0 0 "[ . 1 . 2]" 3
265 1 94 GLY H 1 95 LYS QG 3.650 . 5.500 4.242 3.702 5.506 0.006 12 0 "[ . 1 . 2]" 3
266 1 83 LYS HG3 1 84 LEU H 3.650 . 5.500 4.524 3.900 4.883 . 0 0 "[ . 1 . 2]" 3
267 1 79 THR H 1 79 THR MG 2.750 . 3.700 3.212 2.169 3.451 . 0 0 "[ . 1 . 2]" 3
268 1 109 LYS H 1 109 LYS QG 3.650 . 5.500 3.465 2.202 4.516 . 0 0 "[ . 1 . 2]" 3
269 1 112 LEU HB2 1 112 LEU MD1 2.300 . 2.800 2.033 1.929 2.084 . 0 0 "[ . 1 . 2]" 3
270 1 74 ASP H 1 78 LEU QD 3.650 . 5.500 3.850 3.635 4.164 . 0 0 "[ . 1 . 2]" 3
271 1 13 LEU MD1 1 15 PRO HB3 3.650 . 5.500 3.242 2.767 3.593 . 0 0 "[ . 1 . 2]" 3
272 1 58 VAL MG2 1 60 GLU QG 4.150 . 6.500 3.854 3.324 5.497 . 0 0 "[ . 1 . 2]" 3
273 1 8 LEU MD2 1 88 GLU HB3 4.150 . 6.500 5.443 4.558 6.256 . 0 0 "[ . 1 . 2]" 3
274 1 14 LEU HG 1 22 ILE H 3.650 . 5.500 3.933 2.128 4.829 . 0 0 "[ . 1 . 2]" 3
275 1 11 THR H 1 11 THR MG 2.750 . 3.700 2.707 2.440 3.013 . 0 0 "[ . 1 . 2]" 3
276 1 13 LEU MD2 1 15 PRO HB3 3.650 . 5.500 5.181 4.602 5.467 . 0 0 "[ . 1 . 2]" 3
277 1 83 LYS H 1 83 LYS HG3 3.650 . 5.500 3.862 2.331 4.432 . 0 0 "[ . 1 . 2]" 3
278 1 38 LEU MD1 1 95 LYS QG 3.650 . 5.500 4.841 3.590 5.545 0.045 1 0 "[ . 1 . 2]" 3
279 1 28 VAL QG 1 41 VAL MG2 3.650 . 5.500 4.238 3.698 4.874 . 0 0 "[ . 1 . 2]" 3
280 1 83 LYS HG2 1 86 ILE MD 3.650 . 5.500 3.882 3.353 4.807 . 0 0 "[ . 1 . 2]" 3
281 1 83 LYS HG3 1 86 ILE MD 3.650 . 5.500 3.919 3.180 4.777 . 0 0 "[ . 1 . 2]" 3
282 1 65 VAL H 1 65 VAL QG 2.300 . 2.800 2.320 2.255 2.371 . 0 0 "[ . 1 . 2]" 3
283 1 28 VAL QG 1 43 ILE HG13 3.650 . 5.500 5.242 4.911 5.405 . 0 0 "[ . 1 . 2]" 3
284 1 32 TYR H 1 55 LEU MD2 3.650 . 5.500 5.151 4.947 5.321 . 0 0 "[ . 1 . 2]" 3
285 1 6 LYS H 1 84 LEU QD 3.650 . 5.500 5.142 4.606 5.525 0.025 10 0 "[ . 1 . 2]" 3
286 1 11 THR MG 1 67 VAL QG 2.750 . 3.700 3.559 3.484 3.661 . 0 0 "[ . 1 . 2]" 3
287 1 31 VAL H 1 38 LEU MD2 2.750 . 3.700 2.620 2.467 2.771 . 0 0 "[ . 1 . 2]" 3
288 1 58 VAL MG2 1 61 LEU HG 3.650 . 5.500 4.213 3.479 4.661 . 0 0 "[ . 1 . 2]" 3
289 1 14 LEU HG 1 21 SER H 3.650 . 5.500 4.086 3.370 4.885 . 0 0 "[ . 1 . 2]" 3
290 1 93 THR MG 1 95 LYS QG 3.650 . 5.500 3.138 1.835 4.965 . 0 0 "[ . 1 . 2]" 3
291 1 67 VAL H 1 67 VAL MG2 2.300 . 2.800 2.173 2.084 2.279 . 0 0 "[ . 1 . 2]" 3
292 1 14 LEU H 1 14 LEU MD2 2.750 . 3.700 2.505 2.382 2.597 . 0 0 "[ . 1 . 2]" 3
293 1 8 LEU MD2 1 8 LEU HG 2.300 . 2.800 2.088 2.075 2.104 . 0 0 "[ . 1 . 2]" 3
294 1 8 LEU MD1 1 8 LEU MD2 2.300 . 2.800 1.853 1.839 1.873 . 0 0 "[ . 1 . 2]" 3
295 1 56 LYS QE 1 56 LYS HG3 2.750 . 3.700 2.649 2.388 2.994 . 0 0 "[ . 1 . 2]" 3
296 1 8 LEU MD2 1 66 LYS HA 2.750 . 3.700 3.467 3.297 3.707 0.007 13 0 "[ . 1 . 2]" 3
297 1 109 LYS HA 1 109 LYS QG 2.750 . 3.700 2.662 2.275 3.397 . 0 0 "[ . 1 . 2]" 3
298 1 95 LYS HA 1 95 LYS QG 2.750 . 3.700 2.792 2.306 3.032 . 0 0 "[ . 1 . 2]" 3
299 1 13 LEU MD2 1 64 SER HA 3.650 . 5.500 3.154 2.919 3.282 . 0 0 "[ . 1 . 2]" 3
300 1 27 GLY HA2 1 78 LEU QD 3.650 . 5.500 2.310 1.993 2.599 . 0 0 "[ . 1 . 2]" 3
301 1 30 ALA HA 1 31 VAL QG 3.650 . 5.500 3.487 3.335 3.621 . 0 0 "[ . 1 . 2]" 3
302 1 13 LEU MD1 1 64 SER HA 3.650 . 5.500 3.762 3.582 3.977 . 0 0 "[ . 1 . 2]" 3
303 1 66 LYS HA 1 67 VAL MG2 2.750 . 3.700 3.031 2.975 3.083 . 0 0 "[ . 1 . 2]" 3
304 1 39 GLN HA 1 95 LYS QG 3.650 . 5.500 4.389 3.192 5.381 . 0 0 "[ . 1 . 2]" 3
305 1 13 LEU MD1 1 15 PRO HD2 2.750 . 3.700 2.310 2.014 3.128 . 0 0 "[ . 1 . 2]" 3
306 1 58 VAL MG2 1 59 PRO HD3 3.650 . 5.500 3.844 3.637 4.197 . 0 0 "[ . 1 . 2]" 3
307 1 84 LEU HA 1 84 LEU QD 2.300 . 2.800 2.230 1.984 2.623 . 0 0 "[ . 1 . 2]" 3
308 1 91 LYS HA 1 92 VAL MG1 2.750 . 3.700 2.765 2.286 3.226 . 0 0 "[ . 1 . 2]" 3
309 1 73 PRO HA 1 78 LEU QD 3.650 . 5.500 2.593 2.148 3.464 . 0 0 "[ . 1 . 2]" 3
310 1 83 LYS QE 1 83 LYS HG2 2.750 . 3.700 2.747 2.321 3.510 . 0 0 "[ . 1 . 2]" 3
311 1 56 LYS QE 1 56 LYS HG2 2.750 . 3.700 2.433 2.351 2.511 . 0 0 "[ . 1 . 2]" 3
312 1 7 SER HA 1 84 LEU QD 3.650 . 5.500 3.767 3.133 4.276 . 0 0 "[ . 1 . 2]" 3
313 1 30 ALA MB 1 66 LYS HA 3.650 . 5.500 4.161 4.024 4.262 . 0 0 "[ . 1 . 2]" 3
314 1 11 THR MG 1 12 GLU QG 2.750 . 3.700 3.241 2.817 3.718 0.018 4 0 "[ . 1 . 2]" 3
315 1 8 LEU MD2 1 88 GLU H 3.650 . 5.500 5.500 5.313 5.586 0.086 11 0 "[ . 1 . 2]" 3
316 1 13 LEU MD1 1 32 TYR QD 3.650 . 5.500 5.397 4.956 5.582 0.082 13 0 "[ . 1 . 2]" 3
317 1 40 PHE H 1 61 LEU MD1 2.750 . 3.700 3.193 2.931 3.560 . 0 0 "[ . 1 . 2]" 3
318 1 12 GLU HG2 1 25 ALA MB 2.750 . 3.700 3.210 2.894 3.544 . 0 0 "[ . 1 . 2]" 3
319 1 8 LEU MD1 1 88 GLU H 3.650 . 5.500 3.588 2.815 4.942 . 0 0 "[ . 1 . 2]" 3
320 1 80 GLN QB 1 84 LEU MD2 3.650 . 5.500 4.854 3.880 5.243 . 0 0 "[ . 1 . 2]" 3
321 1 79 THR MG 1 80 GLN QG 3.650 . 5.500 5.492 5.404 5.551 0.051 6 0 "[ . 1 . 2]" 3
322 1 41 VAL MG1 1 82 TRP HZ2 3.650 . 5.500 4.093 3.122 4.811 . 0 0 "[ . 1 . 2]" 3
323 1 13 LEU MD2 1 32 TYR QD 3.650 . 5.500 3.444 3.028 3.728 . 0 0 "[ . 1 . 2]" 3
324 1 58 VAL MG2 1 107 PHE QD 4.150 . 6.500 4.349 2.897 5.288 . 0 0 "[ . 1 . 2]" 3
325 1 106 THR MG 1 107 PHE QD 3.650 . 5.500 4.589 3.391 5.206 . 0 0 "[ . 1 . 2]" 3
326 1 11 THR MG 1 66 LYS HA 2.750 . 3.700 3.003 2.812 3.130 . 0 0 "[ . 1 . 2]" 3
327 1 29 TYR HB2 1 41 VAL MG1 4.150 . 6.500 5.192 5.094 5.268 . 0 0 "[ . 1 . 2]" 3
328 1 32 TYR QE 1 38 LEU MD1 3.650 . 5.500 4.828 4.628 5.277 . 0 0 "[ . 1 . 2]" 3
329 1 13 LEU MD2 1 32 TYR QE 4.150 . 6.500 3.784 2.811 4.157 . 0 0 "[ . 1 . 2]" 3
330 1 13 LEU MD1 1 32 TYR QE 4.150 . 6.500 6.099 5.251 6.462 . 0 0 "[ . 1 . 2]" 3
331 1 32 TYR QE 1 38 LEU MD2 2.750 . 3.700 3.161 2.642 3.699 . 0 0 "[ . 1 . 2]" 3
332 1 41 VAL MG1 1 82 TRP HZ3 4.150 . 6.500 5.471 5.124 5.796 . 0 0 "[ . 1 . 2]" 3
333 1 5 VAL QG 1 85 TRP HZ2 3.650 . 3.700 2.020 1.804 2.411 . 0 0 "[ . 1 . 2]" 3
334 1 82 TRP HH2 1 96 VAL QG 3.650 . 5.500 5.371 4.930 5.579 0.079 2 0 "[ . 1 . 2]" 3
335 1 56 LYS HA 1 56 LYS QD 2.300 . 2.800 2.014 1.903 2.109 . 0 0 "[ . 1 . 2]" 3
336 1 109 LYS HA 1 109 LYS QD 3.650 . 5.500 3.436 1.936 4.456 . 0 0 "[ . 1 . 2]" 3
337 1 13 LEU HA 1 23 PRO HG2 3.650 . 5.500 4.402 4.315 4.477 . 0 0 "[ . 1 . 2]" 3
338 1 113 GLU HA 1 113 GLU QB 2.750 . 2.800 2.340 2.148 2.558 . 0 0 "[ . 1 . 2]" 3
339 1 28 VAL QG 1 85 TRP HZ2 3.650 . 5.500 2.944 2.612 3.918 . 0 0 "[ . 1 . 2]" 3
340 1 72 GLU HA 1 73 PRO HG3 3.650 . 5.500 4.220 4.052 4.390 . 0 0 "[ . 1 . 2]" 3
341 1 80 GLN HA 1 80 GLN HB3 2.750 . 3.700 2.685 2.584 2.914 . 0 0 "[ . 1 . 2]" 3
342 1 96 VAL QG 1 101 LYS H 3.650 . 5.500 4.147 3.476 4.876 . 0 0 "[ . 1 . 2]" 3
343 1 75 LYS HA 1 75 LYS QD 2.300 . 2.800 2.070 1.891 2.165 . 0 0 "[ . 1 . 2]" 3
344 1 47 ILE MG 1 50 SER H 3.650 . 5.500 4.500 4.344 4.595 . 0 0 "[ . 1 . 2]" 3
345 1 51 VAL HA 1 55 LEU HG 3.650 . 5.500 3.485 3.041 5.541 0.041 10 0 "[ . 1 . 2]" 3
346 1 26 SER QB 1 45 ARG HG3 3.650 . 5.500 4.309 3.190 5.502 0.002 15 0 "[ . 1 . 2]" 3
347 1 73 PRO QD 1 73 PRO HG3 2.300 . 2.800 2.187 2.171 2.244 . 0 0 "[ . 1 . 2]" 3
348 1 28 VAL QG 1 82 TRP H 3.650 . 5.500 2.943 2.572 3.225 . 0 0 "[ . 1 . 2]" 3
349 1 48 ALA MB 1 49 ALA H 2.300 . 2.800 2.064 2.000 2.183 . 0 0 "[ . 1 . 2]" 3
350 1 18 GLU HB3 1 21 SER QB 3.650 . 5.500 3.905 2.247 4.866 . 0 0 "[ . 1 . 2]" 3
351 1 18 GLU HB2 1 21 SER QB 3.650 . 5.500 2.803 1.936 3.624 . 0 0 "[ . 1 . 2]" 3
352 1 80 GLN HA 1 80 GLN HB2 2.750 . 3.700 2.441 2.367 2.479 . 0 0 "[ . 1 . 2]" 3
353 1 69 ILE H 1 69 ILE HG12 3.650 . 5.500 3.913 2.461 4.059 . 0 0 "[ . 1 . 2]" 3
354 1 109 LYS H 1 109 LYS QD 3.650 . 5.500 4.326 2.660 5.302 . 0 0 "[ . 1 . 2]" 3
355 1 69 ILE H 1 69 ILE HG13 3.650 . 5.500 3.528 3.380 3.799 . 0 0 "[ . 1 . 2]" 3
356 1 28 VAL QG 1 85 TRP HH2 2.750 . 3.700 2.744 2.397 3.508 . 0 0 "[ . 1 . 2]" 3
357 1 65 VAL HA 1 65 VAL QG 2.300 . 2.800 2.351 2.342 2.360 . 0 0 "[ . 1 . 2]" 3
358 1 30 ALA HA 1 65 VAL QG 3.650 . 5.500 4.204 4.023 4.314 . 0 0 "[ . 1 . 2]" 3
359 1 71 GLU HB2 1 72 GLU H 2.750 . 3.700 2.511 1.980 3.191 . 0 0 "[ . 1 . 2]" 3
360 1 91 LYS H 1 91 LYS QD 3.650 . 5.500 3.985 3.323 4.523 . 0 0 "[ . 1 . 2]" 3
361 1 78 LEU H 1 78 LEU HG 2.750 . 3.700 2.152 1.928 2.359 . 0 0 "[ . 1 . 2]" 3
362 1 29 TYR HD2 1 43 ILE MG 3.650 . 5.500 4.816 4.558 4.984 . 0 0 "[ . 1 . 2]" 3
363 1 37 GLU QB 1 39 GLN HE22 3.650 . 5.500 3.341 2.256 5.551 0.051 5 0 "[ . 1 . 2]" 3
364 1 5 VAL QG 1 85 TRP HH2 3.650 . 5.500 3.536 3.257 3.855 . 0 0 "[ . 1 . 2]" 3
365 1 46 ASN HD22 1 48 ALA MB 2.750 . 3.700 2.853 2.170 3.433 . 0 0 "[ . 1 . 2]" 3
366 1 5 VAL QG 1 85 TRP HD1 3.650 . 5.500 4.393 3.692 4.931 . 0 0 "[ . 1 . 2]" 3
367 1 56 LYS H 1 56 LYS QD 2.750 . 3.700 3.551 3.295 3.708 0.008 1 0 "[ . 1 . 2]" 3
368 1 15 PRO HG3 1 17 THR H 3.650 . 5.500 4.089 3.501 4.871 . 0 0 "[ . 1 . 2]" 3
369 1 29 TYR QD 1 67 VAL MG1 3.650 . 5.500 4.024 3.899 4.192 . 0 0 "[ . 1 . 2]" 3
370 1 101 LYS H 1 101 LYS QD 2.750 . 3.700 3.642 3.456 3.735 0.035 15 0 "[ . 1 . 2]" 3
371 1 43 ILE MG 1 78 LEU H 3.650 . 5.500 3.445 3.283 3.615 . 0 0 "[ . 1 . 2]" 3
372 1 5 VAL QG 1 6 LYS H 2.300 . 2.800 2.612 1.973 2.819 0.019 5 0 "[ . 1 . 2]" 3
373 1 72 GLU HB2 1 77 VAL QG 3.650 . 5.500 2.696 1.836 4.318 . 0 0 "[ . 1 . 2]" 3
374 1 5 VAL QG 1 68 GLY H 3.650 . 5.500 4.113 3.858 4.373 . 0 0 "[ . 1 . 2]" 3
375 1 16 ILE MG 1 62 CYS HB3 3.650 . 5.500 3.571 3.044 4.514 . 0 0 "[ . 1 . 2]" 3
376 1 14 LEU HB3 1 22 ILE HG13 3.650 . 5.500 4.753 4.491 5.167 . 0 0 "[ . 1 . 2]" 3
377 1 24 SER H 1 47 ILE MG 3.650 . 5.500 3.765 3.668 3.858 . 0 0 "[ . 1 . 2]" 3
378 1 16 ILE MG 1 62 CYS HB2 3.650 . 5.500 3.989 3.498 4.296 . 0 0 "[ . 1 . 2]" 3
379 1 28 VAL HB 1 43 ILE HG13 3.650 . 5.500 4.320 4.033 4.663 . 0 0 "[ . 1 . 2]" 3
380 1 65 VAL QG 1 66 LYS H 2.300 . 2.800 2.469 2.362 2.561 . 0 0 "[ . 1 . 2]" 3
381 1 86 ILE MD 1 87 GLU HB3 4.150 . 6.500 4.527 4.302 4.840 . 0 0 "[ . 1 . 2]" 3
382 1 28 VAL QG 1 43 ILE HG12 3.650 . 5.500 4.484 4.254 4.679 . 0 0 "[ . 1 . 2]" 3
383 1 83 LYS QD 1 86 ILE MG 3.650 . 5.500 4.509 2.418 5.282 . 0 0 "[ . 1 . 2]" 3
384 1 47 ILE H 1 48 ALA MB 3.650 . 5.500 4.308 4.191 4.473 . 0 0 "[ . 1 . 2]" 3
385 1 14 LEU H 1 65 VAL QG 2.750 . 3.700 3.231 3.047 3.382 . 0 0 "[ . 1 . 2]" 3
386 1 69 ILE MD 1 69 ILE HG13 2.300 . 2.800 2.003 1.945 2.015 . 0 0 "[ . 1 . 2]" 3
387 1 24 SER H 1 48 ALA MB 3.650 . 5.500 3.502 3.269 3.826 . 0 0 "[ . 1 . 2]" 3
388 1 79 THR MG 1 80 GLN HB3 4.150 . 6.500 3.736 3.601 3.856 . 0 0 "[ . 1 . 2]" 3
389 1 98 PRO HG3 1 101 LYS QE 3.650 . 5.500 4.854 3.933 5.537 0.037 5 0 "[ . 1 . 2]" 3
390 1 91 LYS HD2 1 91 LYS HE3 2.300 . 2.800 2.283 2.149 2.687 . 0 0 "[ . 1 . 2]" 3
391 1 34 LYS QE 1 62 CYS HB3 3.650 . 5.500 5.046 3.829 5.584 0.084 20 0 "[ . 1 . 2]" 3
392 1 16 ILE HA 1 22 ILE HG13 3.650 . 5.500 2.471 2.313 2.842 . 0 0 "[ . 1 . 2]" 3
393 1 43 ILE HG12 1 78 LEU HA 3.650 . 5.500 4.754 4.395 5.127 . 0 0 "[ . 1 . 2]" 3
394 1 51 VAL H 1 51 VAL MG1 2.750 . 3.700 3.107 2.383 3.562 . 0 0 "[ . 1 . 2]" 3
395 1 5 VAL H 1 5 VAL QG 2.300 . 2.800 2.106 1.802 2.615 . 0 0 "[ . 1 . 2]" 3
396 1 34 LYS QD 1 62 CYS HB2 3.650 . 5.500 4.477 3.343 5.405 . 0 0 "[ . 1 . 2]" 3
397 1 86 ILE HG12 1 87 GLU HB3 4.150 . 6.500 4.600 3.863 5.320 . 0 0 "[ . 1 . 2]" 3
398 1 13 LEU HB3 1 15 PRO HG3 3.650 . 5.500 4.851 4.238 5.554 0.054 3 0 "[ . 1 . 2]" 3
399 1 28 VAL H 1 28 VAL QG 2.300 . 2.800 2.067 1.860 2.284 . 0 0 "[ . 1 . 2]" 3
400 1 22 ILE HG13 1 23 PRO HG3 4.150 . 6.500 5.730 5.462 6.056 . 0 0 "[ . 1 . 2]" 3
401 1 51 VAL H 1 53 ALA MB 4.150 . 6.500 4.041 3.868 4.203 . 0 0 "[ . 1 . 2]" 3
402 1 42 GLY HA3 1 43 ILE HG13 4.150 . 6.500 4.938 4.778 5.056 . 0 0 "[ . 1 . 2]" 3
403 1 80 GLN QG 1 84 LEU HG 3.650 . 5.500 3.927 2.699 5.394 . 0 0 "[ . 1 . 2]" 3
404 1 18 GLU HB3 1 18 GLU QG 2.300 . 2.800 2.361 2.294 2.419 . 0 0 "[ . 1 . 2]" 3
405 1 60 GLU HA 1 60 GLU QG 2.750 . 3.700 2.755 2.410 3.029 . 0 0 "[ . 1 . 2]" 3
406 1 53 ALA MB 1 57 SER QB 3.650 . 5.500 4.717 3.977 5.088 . 0 0 "[ . 1 . 2]" 3
407 1 32 TYR QD 1 38 LEU MD2 2.750 . 3.700 3.342 2.855 3.638 . 0 0 "[ . 1 . 2]" 3
408 1 59 PRO HD2 1 59 PRO QG 2.300 . 2.800 2.242 2.177 2.268 . 0 0 "[ . 1 . 2]" 3
409 1 25 ALA MB 1 26 SER HB3 3.650 . 5.500 4.156 3.926 4.922 . 0 0 "[ . 1 . 2]" 3
410 1 83 LYS HA 1 86 ILE MD 2.750 . 3.700 3.656 3.628 3.681 . 0 0 "[ . 1 . 2]" 3
411 1 23 PRO HD2 1 69 ILE MD 3.650 . 5.500 3.383 2.842 3.803 . 0 0 "[ . 1 . 2]" 3
412 1 106 THR HA 1 109 LYS QB 3.650 . 5.500 4.067 1.939 5.551 0.051 4 0 "[ . 1 . 2]" 3
413 1 27 GLY HA2 1 69 ILE MD 3.650 . 5.500 4.117 3.796 4.438 . 0 0 "[ . 1 . 2]" 3
414 1 86 ILE MD 1 87 GLU H 3.650 . 5.500 4.376 4.237 4.485 . 0 0 "[ . 1 . 2]" 3
415 1 22 ILE HG13 1 23 PRO HD3 2.750 . 3.700 3.303 3.180 3.536 . 0 0 "[ . 1 . 2]" 3
416 1 8 LEU HB2 1 11 THR HA 4.150 . 6.500 6.468 6.035 6.580 0.080 14 0 "[ . 1 . 2]" 3
417 1 13 LEU HB3 1 64 SER HB2 3.650 . 5.500 5.144 4.942 5.540 0.040 13 0 "[ . 1 . 2]" 3
418 1 76 ALA MB 1 77 VAL HA 4.150 . 6.500 3.754 3.608 3.877 . 0 0 "[ . 1 . 2]" 3
419 1 14 LEU HB2 1 15 PRO HD2 3.650 . 5.500 4.293 4.095 4.550 . 0 0 "[ . 1 . 2]" 3
420 1 82 TRP HZ2 1 86 ILE MD 2.750 . 3.700 2.657 1.868 3.351 . 0 0 "[ . 1 . 2]" 3
421 1 86 ILE HA 1 90 ILE HB 2.750 . 3.700 2.999 2.374 3.039 . 0 0 "[ . 1 . 2]" 3
422 1 28 VAL QG 1 81 ALA HA 4.150 . 6.500 3.996 3.825 4.228 . 0 0 "[ . 1 . 2]" 3
423 1 72 GLU H 1 73 PRO QD 3.650 . 5.500 4.005 3.508 4.389 . 0 0 "[ . 1 . 2]" 3
424 1 18 GLU HB2 1 19 ALA HA 4.150 . 6.500 4.487 4.267 4.743 . 0 0 "[ . 1 . 2]" 3
425 1 25 ALA MB 1 27 GLY H 3.650 . 5.500 5.082 4.815 5.197 . 0 0 "[ . 1 . 2]" 3
426 1 28 VAL QG 1 69 ILE MD 4.150 . 6.500 5.048 4.721 5.578 . 0 0 "[ . 1 . 2]" 3
427 1 19 ALA HA 1 20 ASP QB 4.150 . 6.500 5.146 5.059 5.303 . 0 0 "[ . 1 . 2]" 3
428 1 41 VAL HB 1 86 ILE MD 3.650 . 5.500 5.014 4.710 5.315 . 0 0 "[ . 1 . 2]" 3
429 1 47 ILE HA 1 48 ALA MB 3.650 . 5.500 4.565 4.389 4.729 . 0 0 "[ . 1 . 2]" 3
430 1 56 LYS HA 1 59 PRO HD3 3.650 . 5.500 3.673 3.489 3.798 . 0 0 "[ . 1 . 2]" 3
431 1 57 SER HA 1 59 PRO HD2 4.150 . 6.500 5.900 5.618 6.121 . 0 0 "[ . 1 . 2]" 3
432 1 72 GLU HA 1 73 PRO QD 2.300 . 2.800 1.977 1.899 2.094 . 0 0 "[ . 1 . 2]" 3
433 1 30 ALA H 1 38 LEU MD2 3.650 . 5.500 3.920 3.778 4.086 . 0 0 "[ . 1 . 2]" 3
434 1 23 PRO HB2 1 69 ILE MD 2.300 . 2.800 2.128 1.978 2.280 . 0 0 "[ . 1 . 2]" 3
435 1 86 ILE MD 1 87 GLU HB3 3.650 . 5.500 4.814 4.241 5.519 0.019 16 0 "[ . 1 . 2]" 3
436 1 39 GLN H 1 86 ILE MD 3.650 . 5.500 4.658 4.314 5.058 . 0 0 "[ . 1 . 2]" 3
437 1 12 GLU HB2 1 13 LEU HB3 3.650 . 5.500 4.833 4.667 5.063 . 0 0 "[ . 1 . 2]" 3
438 1 43 ILE MD 1 78 LEU HB2 2.750 . 3.700 2.785 2.397 3.178 . 0 0 "[ . 1 . 2]" 3
439 1 47 ILE HA 1 49 ALA HA 4.150 . 6.500 5.561 5.206 5.784 . 0 0 "[ . 1 . 2]" 3
440 1 26 SER HB3 1 45 ARG QD 3.650 . 5.500 3.857 3.293 5.301 . 0 0 "[ . 1 . 2]" 3
441 1 57 SER HA 1 58 VAL MG1 4.150 . 6.500 4.763 4.349 4.891 . 0 0 "[ . 1 . 2]" 3
442 1 28 VAL QG 1 69 ILE HA 4.150 . 6.500 4.554 4.118 5.174 . 0 0 "[ . 1 . 2]" 3
443 1 15 PRO HB2 1 16 ILE MD 2.750 . 3.700 2.659 2.211 3.698 . 0 0 "[ . 1 . 2]" 3
444 1 83 LYS HA 1 86 ILE MG 2.300 . 2.800 2.036 1.903 2.222 . 0 0 "[ . 1 . 2]" 3
445 1 43 ILE H 1 43 ILE MD 2.750 . 3.700 3.257 3.046 3.394 . 0 0 "[ . 1 . 2]" 3
446 1 83 LYS QE 1 84 LEU H 4.150 . 6.500 5.706 4.740 6.206 . 0 0 "[ . 1 . 2]" 3
447 1 34 LYS H 1 34 LYS QE 3.650 . 5.500 4.247 3.542 5.291 . 0 0 "[ . 1 . 2]" 3
448 1 83 LYS QE 1 86 ILE MG 3.650 . 5.500 4.845 3.361 5.511 0.011 7 0 "[ . 1 . 2]" 3
449 1 13 LEU HB2 1 13 LEU QD 2.300 . 2.800 2.355 2.323 2.388 . 0 0 "[ . 1 . 2]" 3
450 1 54 HIS HA 1 58 VAL MG1 3.650 . 5.500 3.753 3.222 4.930 . 0 0 "[ . 1 . 2]" 3
451 1 43 ILE MD 1 43 ILE HG12 2.300 . 2.800 2.099 2.081 2.118 . 0 0 "[ . 1 . 2]" 3
452 1 28 VAL H 1 43 ILE MG 3.650 . 5.500 3.596 3.342 3.732 . 0 0 "[ . 1 . 2]" 3
453 1 77 VAL HA 1 80 GLN QG 3.650 . 5.500 4.195 3.883 4.385 . 0 0 "[ . 1 . 2]" 3
454 1 43 ILE MD 1 43 ILE HG13 2.300 . 2.800 1.786 1.761 1.811 0.039 20 0 "[ . 1 . 2]" 3
455 1 43 ILE HG12 1 44 SER HB3 4.150 . 6.500 5.295 4.848 5.912 . 0 0 "[ . 1 . 2]" 3
456 1 86 ILE MD 1 90 ILE MD 2.750 . 3.700 2.405 2.215 2.784 . 0 0 "[ . 1 . 2]" 3
457 1 41 VAL MG2 1 86 ILE MG 2.300 . 2.800 2.066 2.011 2.095 . 0 0 "[ . 1 . 2]" 3
458 1 11 THR HA 1 12 GLU QG 3.650 . 5.500 3.956 3.711 4.331 . 0 0 "[ . 1 . 2]" 3
459 1 13 LEU HA 1 64 SER HB2 3.650 . 5.500 4.442 3.805 4.627 . 0 0 "[ . 1 . 2]" 3
460 1 29 TYR HB2 1 51 VAL HA 3.650 . 5.500 5.184 4.843 5.352 . 0 0 "[ . 1 . 2]" 3
461 1 83 LYS HB2 1 86 ILE MG 2.750 . 3.700 3.601 3.469 3.756 0.056 20 0 "[ . 1 . 2]" 3
462 1 19 ALA MB 1 22 ILE MG 2.750 . 3.700 2.342 2.038 3.033 . 0 0 "[ . 1 . 2]" 3
463 1 23 PRO HB2 1 47 ILE MD 2.300 . 2.800 2.355 2.300 2.397 . 0 0 "[ . 1 . 2]" 3
464 1 64 SER H 1 65 VAL MG1 2.750 . 3.700 3.602 3.246 3.748 0.048 13 0 "[ . 1 . 2]" 3
465 1 13 LEU HA 1 64 SER HB3 3.650 . 5.500 5.168 4.543 5.571 0.071 19 0 "[ . 1 . 2]" 3
466 1 92 VAL HA 1 92 VAL QG 2.300 . 2.800 2.312 2.244 2.387 . 0 0 "[ . 1 . 2]" 3
467 1 24 SER HB2 1 46 ASN HB3 4.150 . 6.500 5.213 4.967 5.542 . 0 0 "[ . 1 . 2]" 3
468 1 35 SER QB 1 36 ASP HB2 4.150 . 6.500 5.061 4.603 5.608 . 0 0 "[ . 1 . 2]" 3
469 1 20 ASP HB2 1 21 SER QB 4.150 . 6.500 5.836 5.200 6.106 . 0 0 "[ . 1 . 2]" 3
470 1 16 ILE HA 1 56 LYS QE 4.150 . 6.500 6.045 4.543 6.540 0.040 1 0 "[ . 1 . 2]" 3
471 1 5 VAL HA 1 6 LYS QG 3.650 . 5.500 4.010 3.088 4.994 . 0 0 "[ . 1 . 2]" 3
472 1 31 VAL H 1 38 LEU HA 3.650 . 5.500 3.817 3.647 4.073 . 0 0 "[ . 1 . 2]" 3
473 1 98 PRO HA 1 101 LYS QD 2.750 . 3.700 2.258 1.842 2.826 . 0 0 "[ . 1 . 2]" 3
474 1 107 PHE HA 1 107 PHE QD 3.650 . 5.500 2.684 1.946 2.939 . 0 0 "[ . 1 . 2]" 3
475 1 21 SER HA 1 21 SER QB 2.300 . 2.800 2.345 2.299 2.416 . 0 0 "[ . 1 . 2]" 3
476 1 16 ILE HA 1 62 CYS HA 3.650 . 5.500 5.168 5.042 5.285 . 0 0 "[ . 1 . 2]" 3
477 1 3 SER HA 1 3 SER QB 2.300 . 2.800 2.343 2.172 2.417 . 0 0 "[ . 1 . 2]" 3
478 1 28 VAL QG 1 82 TRP HA 3.650 . 5.500 2.445 2.072 2.983 . 0 0 "[ . 1 . 2]" 3
479 1 49 ALA MB 1 50 SER QB 3.650 . 5.500 3.956 3.603 4.360 . 0 0 "[ . 1 . 2]" 3
480 1 16 ILE HA 1 16 ILE HG13 2.750 . 3.700 3.422 3.172 3.775 0.075 17 0 "[ . 1 . 2]" 3
481 1 15 PRO HB3 1 16 ILE HA 3.650 . 5.500 5.072 5.026 5.127 . 0 0 "[ . 1 . 2]" 3
482 1 30 ALA MB 1 82 TRP HA 4.150 . 6.500 5.368 5.195 5.598 . 0 0 "[ . 1 . 2]" 3
483 1 25 ALA MB 1 69 ILE HA 4.150 . 6.500 3.979 3.371 4.426 . 0 0 "[ . 1 . 2]" 3
484 1 16 ILE HA 1 18 GLU HB2 4.150 . 6.500 5.659 4.472 6.515 0.015 14 0 "[ . 1 . 2]" 3
485 1 16 ILE HA 1 16 ILE MG 2.300 . 2.800 2.477 2.402 2.560 . 0 0 "[ . 1 . 2]" 3
486 1 40 PHE HA 1 41 VAL MG2 2.750 . 3.700 3.535 3.294 3.726 0.026 20 0 "[ . 1 . 2]" 3
487 1 41 VAL MG2 1 82 TRP HA 3.650 . 5.500 3.245 2.922 3.485 . 0 0 "[ . 1 . 2]" 3
488 1 22 ILE HG13 1 24 SER HB3 3.650 . 5.500 5.423 5.206 5.548 0.048 20 0 "[ . 1 . 2]" 3
489 1 18 GLU HG2 1 21 SER QB 3.650 . 5.500 4.338 3.825 5.124 . 0 0 "[ . 1 . 2]" 3
490 1 7 SER HB2 1 84 LEU QD 3.650 . 5.500 4.805 4.105 5.433 . 0 0 "[ . 1 . 2]" 3
491 1 16 ILE MG 1 59 PRO HA 2.750 . 3.700 3.592 2.900 3.703 0.003 6 0 "[ . 1 . 2]" 3
492 1 86 ILE HA 1 86 ILE MD 2.750 . 3.700 3.085 3.068 3.096 . 0 0 "[ . 1 . 2]" 3
493 1 86 ILE MD 1 96 VAL HA 3.650 . 5.500 3.607 2.757 4.498 . 0 0 "[ . 1 . 2]" 3
494 1 29 TYR HA 1 51 VAL MG2 4.150 . 6.500 4.720 4.596 4.906 . 0 0 "[ . 1 . 2]" 3
495 1 35 SER H 1 35 SER QB . . 2.800 2.480 2.240 2.592 . 0 0 "[ . 1 . 2]" 3
496 1 12 GLU HA 1 13 LEU QD 3.650 . 5.500 5.033 4.960 5.090 . 0 0 "[ . 1 . 2]" 3
497 1 32 TYR QD 1 65 VAL HA 3.650 . 3.700 2.776 2.460 3.220 . 0 0 "[ . 1 . 2]" 3
498 1 26 SER HB2 1 69 ILE MG 3.650 . 5.500 3.604 2.577 4.480 . 0 0 "[ . 1 . 2]" 3
499 1 30 ALA H 1 65 VAL HA 3.650 . 5.500 2.758 2.550 2.952 . 0 0 "[ . 1 . 2]" 3
500 1 80 GLN QB 1 80 GLN HG2 2.300 . 2.800 2.336 2.288 2.375 . 0 0 "[ . 1 . 2]" 3
501 1 83 LYS HA 1 86 ILE MD 3.650 . 5.500 2.055 1.914 2.257 . 0 0 "[ . 1 . 2]" 3
502 1 83 LYS QD 1 84 LEU H 3.650 . 5.500 4.390 3.306 5.066 . 0 0 "[ . 1 . 2]" 3
503 1 24 SER H 1 24 SER HB2 2.750 . 3.700 3.135 3.087 3.197 . 0 0 "[ . 1 . 2]" 3
504 1 32 TYR QD 1 64 SER HB2 3.650 . 5.500 4.521 3.399 5.095 . 0 0 "[ . 1 . 2]" 3
505 1 19 ALA H 1 21 SER QB 4.150 . 6.500 5.313 4.687 5.634 . 0 0 "[ . 1 . 2]" 3
506 1 83 LYS HA 1 83 LYS QE 3.650 . 5.500 4.406 3.512 4.911 . 0 0 "[ . 1 . 2]" 3
507 1 16 ILE HA 1 19 ALA H 3.650 . 5.500 4.161 3.870 4.505 . 0 0 "[ . 1 . 2]" 3
508 1 85 TRP HA 1 88 GLU HA 3.650 . 5.500 4.275 4.029 4.997 . 0 0 "[ . 1 . 2]" 3
509 1 22 ILE HA 1 22 ILE HG13 2.750 . 3.700 2.376 2.314 2.417 . 0 0 "[ . 1 . 2]" 3
510 1 79 THR HA 1 83 LYS HA 4.150 . 6.500 5.363 5.093 5.688 . 0 0 "[ . 1 . 2]" 3
511 1 87 GLU HA 1 87 GLU HB3 2.750 . 3.700 2.407 2.371 2.442 . 0 0 "[ . 1 . 2]" 3
512 1 3 SER QB 1 4 ALA H 3.650 . 5.500 3.105 1.976 3.836 . 0 0 "[ . 1 . 2]" 3
513 1 13 LEU HB3 1 64 SER HB3 4.150 . 6.500 5.797 5.154 6.000 . 0 0 "[ . 1 . 2]" 3
514 1 9 THR HB 1 10 GLU QG 4.150 . 6.500 3.086 2.490 4.682 . 0 0 "[ . 1 . 2]" 3
515 1 21 SER H 1 21 SER QB 2.750 . 3.700 2.399 2.206 2.485 . 0 0 "[ . 1 . 2]" 3
516 1 7 SER HB2 1 84 LEU H 4.150 . 6.500 6.370 5.743 6.579 0.079 14 0 "[ . 1 . 2]" 3
517 1 6 LYS QB 1 9 THR HB 4.150 . 6.500 5.898 4.755 6.615 0.115 9 0 "[ . 1 . 2]" 3
518 1 26 SER HB3 1 28 VAL H 3.650 . 5.500 5.026 4.316 5.517 0.017 13 0 "[ . 1 . 2]" 3
519 1 56 LYS HA 1 56 LYS QE 3.650 . 5.500 3.961 3.888 4.072 . 0 0 "[ . 1 . 2]" 3
520 1 12 GLU QG 1 13 LEU H 2.750 . 3.700 3.678 3.473 3.724 0.024 11 0 "[ . 1 . 2]" 3
521 1 21 SER H 1 22 ILE MG 3.650 . 5.500 4.253 3.855 4.496 . 0 0 "[ . 1 . 2]" 3
522 1 8 LEU MD1 1 85 TRP HB2 3.650 . 5.500 3.353 2.446 5.190 . 0 0 "[ . 1 . 2]" 3
523 1 22 ILE MG 1 67 VAL HA 3.650 . 5.500 4.566 4.272 4.920 . 0 0 "[ . 1 . 2]" 3
524 1 27 GLY HA2 1 47 ILE MD 3.650 . 5.500 3.192 3.088 3.272 . 0 0 "[ . 1 . 2]" 3
525 1 44 SER H 1 47 ILE MD 3.650 . 5.500 4.557 4.123 4.776 . 0 0 "[ . 1 . 2]" 3
526 1 8 LEU HA 1 8 LEU MD1 2.750 . 3.700 3.559 3.236 3.729 0.029 15 0 "[ . 1 . 2]" 3
527 1 60 GLU H 1 60 GLU QG 3.650 . 5.500 4.012 3.959 4.121 . 0 0 "[ . 1 . 2]" 3
528 1 16 ILE MD 1 63 GLY H 2.750 . 3.700 2.888 2.090 3.284 . 0 0 "[ . 1 . 2]" 3
529 1 42 GLY H 1 86 ILE MG 2.750 . 3.700 2.207 2.079 2.319 . 0 0 "[ . 1 . 2]" 3
530 1 28 VAL QG 1 43 ILE MG 2.750 . 3.700 1.950 1.724 2.185 0.076 11 0 "[ . 1 . 2]" 3
531 1 45 ARG HA 1 45 ARG QD 3.650 . 5.500 2.302 1.944 3.524 . 0 0 "[ . 1 . 2]" 3
532 1 98 PRO HA 1 101 LYS QE 2.750 . 3.700 3.667 3.125 3.826 0.126 2 0 "[ . 1 . 2]" 3
533 1 93 THR HB 1 95 LYS QE 4.150 . 6.500 4.491 2.151 6.458 . 0 0 "[ . 1 . 2]" 3
534 1 72 GLU H 1 72 GLU QG 2.300 . 2.800 2.454 1.821 2.885 0.085 17 0 "[ . 1 . 2]" 3
535 1 21 SER HA 1 22 ILE MD 3.650 . 5.500 4.773 4.588 4.945 . 0 0 "[ . 1 . 2]" 3
536 1 21 SER HA 1 22 ILE MG 4.150 . 6.500 4.276 4.179 4.396 . 0 0 "[ . 1 . 2]" 3
537 1 55 LEU QB 1 55 LEU MD2 2.300 . 2.800 2.339 2.284 2.400 . 0 0 "[ . 1 . 2]" 3
538 1 8 LEU MD1 1 32 TYR QE 3.650 . 5.500 3.459 3.113 3.771 . 0 0 "[ . 1 . 2]" 3
539 1 74 ASP HB2 1 77 VAL QG 2.750 . 3.700 3.230 2.796 3.692 . 0 0 "[ . 1 . 2]" 3
540 1 83 LYS QE 1 83 LYS HG3 2.300 . 2.800 2.412 2.291 2.827 0.027 10 0 "[ . 1 . 2]" 3
541 1 105 ASN HB2 1 108 VAL QG 3.650 . 5.500 4.086 2.500 5.543 0.043 14 0 "[ . 1 . 2]" 3
542 1 34 LYS HD2 1 34 LYS HE3 2.300 . 2.800 2.204 2.126 2.352 . 0 0 "[ . 1 . 2]" 3
543 1 106 THR HB 1 107 PHE QD 3.650 . 5.500 3.823 2.893 4.788 . 0 0 "[ . 1 . 2]" 3
544 1 12 GLU H 1 12 GLU QG 2.750 . 3.700 2.032 1.796 2.391 0.004 12 0 "[ . 1 . 2]" 3
545 1 37 GLU QG 1 38 LEU H 3.650 . 5.500 3.907 3.166 4.720 . 0 0 "[ . 1 . 2]" 3
546 1 67 VAL H 1 67 VAL HB 2.750 . 3.700 2.951 2.866 3.078 . 0 0 "[ . 1 . 2]" 3
547 1 8 LEU MD1 1 32 TYR QD 4.150 . 6.500 5.087 4.634 5.540 . 0 0 "[ . 1 . 2]" 3
548 1 104 ASN HA 1 104 ASN HB2 2.750 . 3.700 2.646 2.360 3.029 . 0 0 "[ . 1 . 2]" 3
549 1 28 VAL H 1 28 VAL HB 2.750 . 3.700 2.869 2.627 3.042 . 0 0 "[ . 1 . 2]" 3
550 1 57 SER QB 1 58 VAL H 2.750 . 3.700 2.515 2.229 3.542 . 0 0 "[ . 1 . 2]" 3
551 1 16 ILE MD 1 34 LYS H 2.750 . 3.700 3.687 3.322 3.773 0.073 17 0 "[ . 1 . 2]" 3
552 1 7 SER H 1 8 LEU MD1 4.150 . 6.500 5.495 4.754 6.526 0.026 4 0 "[ . 1 . 2]" 3
553 1 8 LEU HB2 1 8 LEU MD1 2.750 . 3.700 2.357 2.145 3.178 . 0 0 "[ . 1 . 2]" 3
554 1 43 ILE HB 1 78 LEU HA 3.650 . 5.500 4.468 4.228 4.812 . 0 0 "[ . 1 . 2]" 3
555 1 83 LYS HA 1 84 LEU QB 4.150 . 6.500 5.464 5.374 5.536 . 0 0 "[ . 1 . 2]" 3
556 1 44 SER H 1 44 SER HB3 3.650 . 5.500 2.664 2.242 3.049 . 0 0 "[ . 1 . 2]" 3
557 1 56 LYS H 1 56 LYS QE 3.650 . 5.500 4.442 4.188 4.709 . 0 0 "[ . 1 . 2]" 3
558 1 87 GLU HA 1 90 ILE MG 3.650 . 5.500 3.102 2.930 3.778 . 0 0 "[ . 1 . 2]" 3
559 1 28 VAL QG 1 81 ALA MB 3.650 . 5.500 1.940 1.822 2.145 . 0 0 "[ . 1 . 2]" 3
560 1 44 SER HB3 1 47 ILE MD 3.650 . 5.500 3.060 2.745 3.350 . 0 0 "[ . 1 . 2]" 3
561 1 101 LYS H 1 101 LYS QE 3.650 . 5.500 4.861 4.518 5.275 . 0 0 "[ . 1 . 2]" 3
562 1 90 ILE MG 1 95 LYS H 4.150 . 6.500 4.293 2.224 4.869 . 0 0 "[ . 1 . 2]" 3
563 1 55 LEU QB 1 56 LYS H 3.650 . 5.500 2.921 2.562 3.048 . 0 0 "[ . 1 . 2]" 3
564 1 88 GLU H 1 88 GLU HG3 3.650 . 5.500 3.062 1.953 3.703 . 0 0 "[ . 1 . 2]" 3
565 1 76 ALA MB 1 77 VAL QG 2.750 . 3.700 2.951 2.651 3.300 . 0 0 "[ . 1 . 2]" 3
566 1 37 GLU QG 1 39 GLN HE22 3.650 . 5.500 4.693 2.485 5.512 0.012 1 0 "[ . 1 . 2]" 3
567 1 43 ILE MD 1 75 LYS HA 2.750 . 3.700 2.745 2.328 3.028 . 0 0 "[ . 1 . 2]" 3
568 1 16 ILE HB 1 16 ILE MG 2.300 . 2.800 2.081 2.072 2.089 . 0 0 "[ . 1 . 2]" 3
569 1 43 ILE MD 1 82 TRP HA 3.650 . 5.500 3.849 3.524 4.091 . 0 0 "[ . 1 . 2]" 3
570 1 91 LYS H 1 91 LYS QE 3.650 . 5.500 4.011 3.167 4.981 . 0 0 "[ . 1 . 2]" 3
571 1 74 ASP HB2 1 77 VAL H 3.650 . 5.500 4.221 3.972 4.482 . 0 0 "[ . 1 . 2]" 3
572 1 112 LEU H 1 112 LEU HB3 2.750 . 3.700 3.080 1.888 3.413 . 0 0 "[ . 1 . 2]" 3
573 1 23 PRO HB2 1 47 ILE MG 2.300 . 2.800 2.123 2.117 2.130 . 0 0 "[ . 1 . 2]" 3
574 1 55 LEU H 1 55 LEU QB 3.650 . 5.500 2.404 2.197 2.445 . 0 0 "[ . 1 . 2]" 3
575 1 28 VAL QG 1 43 ILE HB 3.650 . 5.500 3.957 3.439 4.353 . 0 0 "[ . 1 . 2]" 3
576 1 90 ILE MD 1 95 LYS H 3.650 . 5.500 4.574 3.118 5.513 0.013 8 0 "[ . 1 . 2]" 3
577 1 90 ILE H 1 90 ILE MG 2.750 . 3.700 3.498 2.186 3.681 . 0 0 "[ . 1 . 2]" 3
578 1 37 GLU H 1 37 GLU QG 2.750 . 3.700 3.017 2.250 3.793 0.093 6 0 "[ . 1 . 2]" 3
579 1 15 PRO HG2 1 16 ILE MD 3.650 . 5.500 5.079 4.939 5.203 . 0 0 "[ . 1 . 2]" 3
580 1 112 LEU HB2 1 112 LEU QD 2.300 . 2.800 2.284 2.130 2.462 . 0 0 "[ . 1 . 2]" 3
581 1 43 ILE MD 1 78 LEU H 3.650 . 5.500 4.293 3.793 4.585 . 0 0 "[ . 1 . 2]" 3
582 1 86 ILE MD 1 90 ILE QG 3.650 . 5.500 3.435 2.859 4.268 . 0 0 "[ . 1 . 2]" 3
583 1 57 SER H 1 57 SER QB 2.750 . 2.800 2.433 2.226 2.808 0.008 11 0 "[ . 1 . 2]" 3
584 1 113 GLU H 1 113 GLU QG 3.650 . 5.500 2.919 1.846 4.347 . 0 0 "[ . 1 . 2]" 3
585 1 7 SER HB3 1 84 LEU QD 3.650 . 5.500 4.042 2.705 4.962 . 0 0 "[ . 1 . 2]" 3
586 1 84 LEU QB 1 85 TRP HD1 3.650 . 5.500 2.562 2.200 2.899 . 0 0 "[ . 1 . 2]" 3
587 1 58 VAL MG1 1 61 LEU MD1 2.750 . 3.700 2.328 1.985 3.181 . 0 0 "[ . 1 . 2]" 3
588 1 82 TRP HZ3 1 83 LYS QE 3.650 . 5.500 4.565 2.111 5.541 0.041 7 0 "[ . 1 . 2]" 3
589 1 22 ILE MD 1 48 ALA MB 2.300 . 2.800 2.659 2.448 2.823 0.023 13 0 "[ . 1 . 2]" 3
590 1 9 THR HB 1 10 GLU HB3 4.150 . 6.500 5.377 4.610 6.256 . 0 0 "[ . 1 . 2]" 3
591 1 87 GLU H 1 90 ILE HB 3.650 . 5.500 4.523 4.160 4.713 . 0 0 "[ . 1 . 2]" 3
592 1 95 LYS H 1 95 LYS HB2 2.750 . 3.700 2.361 1.894 2.632 . 0 0 "[ . 1 . 2]" 3
593 1 95 LYS H 1 95 LYS HB3 2.750 . 3.700 3.161 2.918 3.297 . 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 377
_Distance_constraint_stats_list.Viol_count 254
_Distance_constraint_stats_list.Viol_total 163.753
_Distance_constraint_stats_list.Viol_max 0.180
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0322
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.066 0.019 4 0 "[ . 1 . 2]"
1 7 SER 0.042 0.009 13 0 "[ . 1 . 2]"
1 8 LEU 0.092 0.029 19 0 "[ . 1 . 2]"
1 9 THR 0.092 0.029 19 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.014 0.014 5 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.770 0.060 13 0 "[ . 1 . 2]"
1 14 LEU 1.193 0.061 15 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.834 0.061 15 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.505 0.060 8 0 "[ . 1 . 2]"
1 22 ILE 1.734 0.078 9 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.542 0.078 9 0 "[ . 1 . 2]"
1 25 ALA 0.226 0.054 17 0 "[ . 1 . 2]"
1 26 SER 0.228 0.056 7 0 "[ . 1 . 2]"
1 27 GLY 0.219 0.123 19 0 "[ . 1 . 2]"
1 28 VAL 0.752 0.172 20 0 "[ . 1 . 2]"
1 29 TYR 0.602 0.078 9 0 "[ . 1 . 2]"
1 30 ALA 0.006 0.006 5 0 "[ . 1 . 2]"
1 31 VAL 0.095 0.058 15 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.020 0.020 2 0 "[ . 1 . 2]"
1 34 LYS 0.051 0.023 4 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.057 0.057 11 0 "[ . 1 . 2]"
1 38 LEU 0.076 0.058 15 0 "[ . 1 . 2]"
1 39 GLN 0.532 0.084 12 0 "[ . 1 . 2]"
1 40 PHE 0.271 0.058 15 0 "[ . 1 . 2]"
1 41 VAL 0.603 0.078 9 0 "[ . 1 . 2]"
1 42 GLY 0.001 0.001 16 0 "[ . 1 . 2]"
1 43 ILE 0.543 0.078 9 0 "[ . 1 . 2]"
1 44 SER 0.049 0.016 14 0 "[ . 1 . 2]"
1 45 ARG 0.207 0.123 19 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.283 0.038 5 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.184 0.042 17 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 HIS 0.161 0.042 17 0 "[ . 1 . 2]"
1 55 LEU 0.322 0.042 17 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.023 0.023 4 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.138 0.038 13 0 "[ . 1 . 2]"
1 62 CYS 0.149 0.038 13 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 SER 0.028 0.010 13 0 "[ . 1 . 2]"
1 65 VAL 0.260 0.038 5 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.486 0.054 17 0 "[ . 1 . 2]"
1 68 GLY 0.552 0.172 20 0 "[ . 1 . 2]"
1 69 ILE 0.013 0.013 7 0 "[ . 1 . 2]"
1 70 VAL 0.216 0.056 7 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.030 0.030 4 0 "[ . 1 . 2]"
1 73 PRO 0.030 0.030 4 0 "[ . 1 . 2]"
1 74 ASP 0.030 0.030 4 0 "[ . 1 . 2]"
1 75 LYS 0.110 0.066 8 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.110 0.066 8 0 "[ . 1 . 2]"
1 80 GLN 0.637 0.115 1 0 "[ . 1 . 2]"
1 81 ALA 0.007 0.007 18 0 "[ . 1 . 2]"
1 82 TRP 0.154 0.034 6 0 "[ . 1 . 2]"
1 83 LYS 0.142 0.034 6 0 "[ . 1 . 2]"
1 84 LEU 0.256 0.066 14 0 "[ . 1 . 2]"
1 85 TRP 0.660 0.115 1 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.286 0.180 14 0 "[ . 1 . 2]"
1 88 GLU 0.886 0.115 1 0 "[ . 1 . 2]"
1 89 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ILE 0.055 0.036 18 0 "[ . 1 . 2]"
1 91 LYS 0.040 0.021 5 0 "[ . 1 . 2]"
1 92 VAL 0.755 0.162 18 0 "[ . 1 . 2]"
1 93 THR 0.770 0.162 18 0 "[ . 1 . 2]"
1 94 GLY 0.707 0.162 18 0 "[ . 1 . 2]"
1 95 LYS 0.119 0.095 12 0 "[ . 1 . 2]"
1 96 VAL 0.289 0.084 12 0 "[ . 1 . 2]"
1 98 PRO 0.308 0.055 9 0 "[ . 1 . 2]"
1 99 GLY 0.363 0.055 9 0 "[ . 1 . 2]"
1 100 ASN 0.278 0.084 12 0 "[ . 1 . 2]"
1 101 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ASN 0.027 0.027 6 0 "[ . 1 . 2]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PHE 0.009 0.009 20 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 LYS 0.027 0.027 6 0 "[ . 1 . 2]"
1 110 VAL 0.115 0.115 3 0 "[ . 1 . 2]"
1 111 THR 0.115 0.115 3 0 "[ . 1 . 2]"
1 112 LEU 0.099 0.099 4 0 "[ . 1 . 2]"
1 113 GLU 0.017 0.017 13 0 "[ . 1 . 2]"
1 115 HIS 0.017 0.017 13 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 14 LEU QD 1 22 ILE H 2.300 . 2.800 2.834 2.801 2.861 0.061 15 0 "[ . 1 . 2]" 4
2 1 5 VAL QG 1 81 ALA H 4.150 . 6.500 4.291 4.003 4.669 . 0 0 "[ . 1 . 2]" 4
3 1 50 SER HA 1 52 SER H 2.300 . 2.800 2.416 2.383 2.433 . 0 0 "[ . 1 . 2]" 4
4 1 78 LEU HB2 1 81 ALA H 3.650 . 5.500 4.369 3.978 4.764 . 0 0 "[ . 1 . 2]" 4
5 1 29 TYR QR 1 46 ASN H 3.650 . 5.500 5.122 4.969 5.355 . 0 0 "[ . 1 . 2]" 4
6 1 29 TYR QR 1 47 ILE H 3.650 . 5.500 4.494 4.226 4.833 . 0 0 "[ . 1 . 2]" 4
7 1 77 VAL QG 1 78 LEU H 2.750 . 3.700 2.870 2.248 3.144 . 0 0 "[ . 1 . 2]" 4
8 1 14 LEU QD 1 21 SER H 2.750 . 3.700 3.724 3.667 3.760 0.060 8 0 "[ . 1 . 2]" 4
9 1 15 PRO HD2 1 18 GLU H 2.750 . 3.700 3.324 3.144 3.543 . 0 0 "[ . 1 . 2]" 4
10 1 75 LYS HA 1 78 LEU H 2.750 . 3.700 2.562 2.506 2.591 . 0 0 "[ . 1 . 2]" 4
11 1 24 SER H 1 67 VAL QG 4.150 . 6.500 4.486 4.331 4.606 . 0 0 "[ . 1 . 2]" 4
12 1 12 GLU QB 1 14 LEU H 3.650 . 5.500 4.874 4.721 4.934 . 0 0 "[ . 1 . 2]" 4
13 1 28 VAL H 1 29 TYR HB2 3.650 . 5.500 3.617 3.388 3.823 . 0 0 "[ . 1 . 2]" 4
14 1 71 GLU QG 1 72 GLU H 2.750 . 3.700 2.432 1.819 2.820 . 0 0 "[ . 1 . 2]" 4
15 1 29 TYR QR 1 82 TRP HE1 4.150 . 6.500 6.366 6.079 6.508 0.008 16 0 "[ . 1 . 2]" 4
16 1 23 PRO HB2 1 26 SER H 4.150 . 6.500 5.231 4.831 5.473 . 0 0 "[ . 1 . 2]" 4
17 1 31 VAL H 1 32 TYR QE 3.650 . 5.500 3.765 3.568 4.070 . 0 0 "[ . 1 . 2]" 4
18 1 22 ILE MD 1 51 VAL H 2.750 . 3.700 3.515 3.410 3.605 . 0 0 "[ . 1 . 2]" 4
19 1 52 SER H 1 55 LEU QB 3.650 . 5.500 4.300 3.610 4.766 . 0 0 "[ . 1 . 2]" 4
20 1 29 TYR QR 1 52 SER H 4.150 . 6.500 6.165 5.945 6.362 . 0 0 "[ . 1 . 2]" 4
21 1 13 LEU HB3 1 65 VAL H 4.150 . 6.500 4.829 4.547 4.947 . 0 0 "[ . 1 . 2]" 4
22 1 27 GLY H 1 69 ILE MD 2.750 . 3.700 3.165 2.914 3.424 . 0 0 "[ . 1 . 2]" 4
23 1 77 VAL QG 1 81 ALA H 3.650 . 5.500 3.627 3.280 3.993 . 0 0 "[ . 1 . 2]" 4
24 1 31 VAL QG 1 39 GLN H 2.750 . 3.700 3.676 3.620 3.758 0.058 15 0 "[ . 1 . 2]" 4
25 1 72 GLU HB3 1 74 ASP H 2.750 . 3.700 3.113 2.372 3.730 0.030 4 0 "[ . 1 . 2]" 4
26 1 31 VAL HB 1 64 SER H 4.150 . 6.500 5.322 4.539 5.878 . 0 0 "[ . 1 . 2]" 4
27 1 37 GLU H 1 37 GLU QB 2.300 . 2.800 2.282 2.151 2.511 . 0 0 "[ . 1 . 2]" 4
28 1 14 LEU MD1 1 18 GLU H 4.150 . 6.500 4.675 4.346 4.877 . 0 0 "[ . 1 . 2]" 4
29 1 47 ILE H 1 65 VAL QG 3.650 . 5.500 5.504 5.422 5.538 0.038 5 0 "[ . 1 . 2]" 4
30 1 70 VAL QG 1 74 ASP H 3.650 . 5.500 3.441 3.157 3.831 . 0 0 "[ . 1 . 2]" 4
31 1 23 PRO HG2 1 26 SER H 4.150 . 6.500 5.080 4.310 6.041 . 0 0 "[ . 1 . 2]" 4
32 1 23 PRO HB2 1 68 GLY H 4.150 . 6.500 4.738 4.529 4.858 . 0 0 "[ . 1 . 2]" 4
33 1 5 VAL HB 1 85 TRP HE1 3.650 . 5.500 3.723 2.917 4.231 . 0 0 "[ . 1 . 2]" 4
34 1 83 LYS QD 1 87 GLU H 3.650 . 5.500 4.189 3.550 4.965 . 0 0 "[ . 1 . 2]" 4
35 1 88 GLU H 1 89 HIS HB2 3.650 . 5.500 4.224 3.545 4.880 . 0 0 "[ . 1 . 2]" 4
36 1 13 LEU HG 1 14 LEU H 2.750 . 3.700 3.182 3.013 3.312 . 0 0 "[ . 1 . 2]" 4
37 1 27 GLY H 1 45 ARG HB2 3.650 . 5.500 5.069 4.553 5.271 . 0 0 "[ . 1 . 2]" 4
38 1 39 GLN HE21 1 61 LEU MD1 3.650 . 5.500 4.103 2.928 4.781 . 0 0 "[ . 1 . 2]" 4
39 1 22 ILE MD 1 53 ALA H 4.150 . 6.500 6.130 5.851 6.474 . 0 0 "[ . 1 . 2]" 4
40 1 32 TYR H 1 39 GLN QG 3.650 . 5.500 4.014 3.882 4.131 . 0 0 "[ . 1 . 2]" 4
41 1 15 PRO HB3 1 65 VAL H 3.650 . 5.500 5.281 4.896 5.433 . 0 0 "[ . 1 . 2]" 4
42 1 113 GLU H 1 113 GLU QB 2.750 . 3.700 2.447 2.126 2.999 . 0 0 "[ . 1 . 2]" 4
43 1 80 GLN H 1 80 GLN QG 2.750 . 3.700 3.728 3.642 3.815 0.115 1 0 "[ . 1 . 2]" 4
44 1 98 PRO HB2 1 99 GLY H 2.300 . 2.800 2.758 2.510 2.855 0.055 9 0 "[ . 1 . 2]" 4
45 1 24 SER H 1 25 ALA MB 2.750 . 3.700 3.179 2.693 3.520 . 0 0 "[ . 1 . 2]" 4
46 1 113 GLU H 1 113 GLU QG 3.650 . 5.500 2.369 1.783 3.402 0.017 13 0 "[ . 1 . 2]" 4
47 1 86 ILE HG12 1 89 HIS H 3.650 . 5.500 4.419 3.748 4.607 . 0 0 "[ . 1 . 2]" 4
48 1 25 ALA MB 1 27 GLY H 3.650 . 5.500 4.354 4.154 4.499 . 0 0 "[ . 1 . 2]" 4
49 1 107 PHE H 1 107 PHE QE 3.650 . 5.500 4.400 4.100 4.710 . 0 0 "[ . 1 . 2]" 4
50 1 16 ILE HG13 1 62 CYS H 3.650 . 5.500 4.274 4.121 4.428 . 0 0 "[ . 1 . 2]" 4
51 1 22 ILE HG13 1 52 SER H 2.750 . 3.700 3.016 2.919 3.145 . 0 0 "[ . 1 . 2]" 4
52 1 83 LYS H 1 83 LYS QD 3.650 . 5.500 3.712 2.876 4.072 . 0 0 "[ . 1 . 2]" 4
53 1 47 ILE H 1 47 ILE MD 2.300 . 2.800 2.048 1.957 2.173 . 0 0 "[ . 1 . 2]" 4
54 1 23 PRO HG2 1 47 ILE H 3.650 . 5.500 3.292 3.179 3.413 . 0 0 "[ . 1 . 2]" 4
55 1 5 VAL HB 1 6 LYS H 2.300 . 2.800 2.470 2.328 2.620 . 0 0 "[ . 1 . 2]" 4
56 1 39 GLN HE21 1 40 PHE H 3.650 . 5.500 5.064 3.905 5.552 0.052 4 0 "[ . 1 . 2]" 4
57 1 16 ILE HB 1 62 CYS H 3.650 . 5.500 4.729 4.677 4.792 . 0 0 "[ . 1 . 2]" 4
58 1 14 LEU HB3 1 65 VAL H 3.650 . 5.500 4.500 4.343 4.670 . 0 0 "[ . 1 . 2]" 4
59 1 25 ALA H 1 47 ILE MD 3.650 . 5.500 3.323 3.084 3.496 . 0 0 "[ . 1 . 2]" 4
60 1 40 PHE QE 1 43 ILE H 3.650 . 5.500 5.219 4.920 5.463 . 0 0 "[ . 1 . 2]" 4
61 1 14 LEU MD2 1 25 ALA H 3.650 . 5.500 4.375 4.204 4.616 . 0 0 "[ . 1 . 2]" 4
62 1 105 ASN HB2 1 109 LYS H 3.650 . 5.500 4.698 3.405 5.527 0.027 6 0 "[ . 1 . 2]" 4
63 1 40 PHE QE 1 42 GLY H 3.650 . 5.500 4.584 4.314 4.909 . 0 0 "[ . 1 . 2]" 4
64 1 39 GLN HE22 1 61 LEU MD1 3.650 . 5.500 4.919 4.361 5.371 . 0 0 "[ . 1 . 2]" 4
65 1 16 ILE MG 1 62 CYS H 2.750 . 3.700 3.576 3.270 3.738 0.038 13 0 "[ . 1 . 2]" 4
66 1 39 GLN QG 1 96 VAL H 3.650 . 5.500 5.191 3.903 5.584 0.084 12 0 "[ . 1 . 2]" 4
67 1 32 TYR H 1 64 SER H 2.300 . 2.800 2.241 2.027 2.444 . 0 0 "[ . 1 . 2]" 4
68 1 34 LYS HB3 1 35 SER H 3.650 . 5.500 3.732 3.458 3.982 . 0 0 "[ . 1 . 2]" 4
69 1 19 ALA HA 1 22 ILE H 2.750 . 3.700 3.122 3.015 3.253 . 0 0 "[ . 1 . 2]" 4
70 1 5 VAL QG 1 10 GLU H 3.650 . 5.500 4.020 3.209 5.240 . 0 0 "[ . 1 . 2]" 4
71 1 89 HIS HB2 1 92 VAL H 3.650 . 5.500 4.817 3.978 5.354 . 0 0 "[ . 1 . 2]" 4
72 1 16 ILE HB 1 64 SER H 3.650 . 5.500 5.351 4.921 5.510 0.010 13 0 "[ . 1 . 2]" 4
73 1 93 THR MG 1 95 LYS H 3.650 . 5.500 3.154 1.800 4.249 . 0 0 "[ . 1 . 2]" 4
74 1 80 GLN HE21 1 84 LEU QB 4.150 . 6.500 5.109 4.294 6.092 . 0 0 "[ . 1 . 2]" 4
75 1 86 ILE HG12 1 95 LYS H 3.650 . 5.500 4.072 3.122 4.813 . 0 0 "[ . 1 . 2]" 4
76 1 14 LEU MD2 1 18 GLU H 4.150 . 6.500 3.972 3.567 4.212 . 0 0 "[ . 1 . 2]" 4
77 1 14 LEU HB3 1 18 GLU H 3.650 . 5.500 4.359 4.020 4.592 . 0 0 "[ . 1 . 2]" 4
78 1 39 GLN HA 1 94 GLY H 2.750 . 3.700 2.833 2.741 2.895 . 0 0 "[ . 1 . 2]" 4
79 1 82 TRP HB2 1 83 LYS H 2.750 . 3.700 3.643 3.423 3.734 0.034 6 0 "[ . 1 . 2]" 4
80 1 37 GLU QB 1 94 GLY H 4.150 . 6.500 5.663 5.409 5.969 . 0 0 "[ . 1 . 2]" 4
81 1 31 VAL QG 1 40 PHE H 2.750 . 3.700 3.127 2.973 3.264 . 0 0 "[ . 1 . 2]" 4
82 1 22 ILE MD 1 50 SER H 3.650 . 5.500 5.068 4.836 5.258 . 0 0 "[ . 1 . 2]" 4
83 1 5 VAL QG 1 11 THR H 3.650 . 5.500 4.011 3.322 5.038 . 0 0 "[ . 1 . 2]" 4
84 1 15 PRO HB3 1 64 SER H 4.150 . 6.500 6.017 5.159 6.347 . 0 0 "[ . 1 . 2]" 4
85 1 16 ILE H 1 65 VAL MG1 2.750 . 3.700 2.938 2.304 3.470 . 0 0 "[ . 1 . 2]" 4
86 1 16 ILE HG13 1 64 SER H 3.650 . 5.500 3.902 3.500 4.081 . 0 0 "[ . 1 . 2]" 4
87 1 22 ILE MG 1 24 SER H 2.750 . 3.700 3.690 3.450 3.778 0.078 9 0 "[ . 1 . 2]" 4
88 1 83 LYS H 1 84 LEU QD 4.150 . 6.500 4.250 3.742 4.595 . 0 0 "[ . 1 . 2]" 4
89 1 16 ILE HG13 1 63 GLY H 2.750 . 3.700 3.280 2.716 3.496 . 0 0 "[ . 1 . 2]" 4
90 1 56 LYS QD 1 57 SER H 3.650 . 5.500 4.128 3.995 4.231 . 0 0 "[ . 1 . 2]" 4
91 1 16 ILE MG 1 34 LYS H 4.150 . 6.500 5.726 5.366 6.000 . 0 0 "[ . 1 . 2]" 4
92 1 49 ALA HA 1 53 ALA H 2.750 . 3.700 2.673 2.416 3.356 . 0 0 "[ . 1 . 2]" 4
93 1 13 LEU H 1 14 LEU HB2 4.150 . 6.500 4.959 4.865 5.121 . 0 0 "[ . 1 . 2]" 4
94 1 91 LYS QB 1 92 VAL H 2.300 . 2.800 2.538 2.221 2.821 0.021 5 0 "[ . 1 . 2]" 4
95 1 87 GLU HG3 1 88 GLU H 2.300 . 2.800 2.503 2.259 2.687 . 0 0 "[ . 1 . 2]" 4
96 1 40 PHE HB3 1 99 GLY H 3.650 . 5.500 4.703 4.056 5.100 . 0 0 "[ . 1 . 2]" 4
97 1 87 GLU HB2 1 88 GLU H 2.750 . 3.700 2.935 2.503 3.188 . 0 0 "[ . 1 . 2]" 4
98 1 61 LEU MD1 1 99 GLY H 3.650 . 5.500 4.856 4.332 5.511 0.011 10 0 "[ . 1 . 2]" 4
99 1 7 SER HB2 1 85 TRP HE1 3.650 . 5.500 4.106 3.818 4.278 . 0 0 "[ . 1 . 2]" 4
100 1 28 VAL H 1 69 ILE MD 2.750 . 3.700 3.314 2.982 3.543 . 0 0 "[ . 1 . 2]" 4
101 1 46 ASN H 1 47 ILE MD 3.650 . 5.500 4.545 4.303 4.772 . 0 0 "[ . 1 . 2]" 4
102 1 96 VAL QG 1 100 ASN H 3.650 . 5.500 4.638 3.753 5.169 . 0 0 "[ . 1 . 2]" 4
103 1 52 SER H 1 65 VAL QG 4.150 . 6.500 5.589 5.363 5.737 . 0 0 "[ . 1 . 2]" 4
104 1 50 SER H 1 51 VAL H 2.300 . 2.800 2.440 2.289 2.546 . 0 0 "[ . 1 . 2]" 4
105 1 41 VAL MG2 1 83 LYS H 4.150 . 6.500 4.700 4.441 4.921 . 0 0 "[ . 1 . 2]" 4
106 1 77 VAL H 1 78 LEU HB2 3.650 . 5.500 4.048 3.855 4.201 . 0 0 "[ . 1 . 2]" 4
107 1 24 SER H 1 48 ALA H 3.650 . 5.500 4.226 4.146 4.404 . 0 0 "[ . 1 . 2]" 4
108 1 51 VAL MG1 1 55 LEU H 2.750 . 3.700 3.418 3.302 3.660 . 0 0 "[ . 1 . 2]" 4
109 1 87 GLU H 1 87 GLU HB3 2.300 . 2.800 2.497 2.207 2.980 0.180 14 0 "[ . 1 . 2]" 4
110 1 26 SER H 1 69 ILE MD 3.650 . 5.500 4.947 3.285 5.513 0.013 7 0 "[ . 1 . 2]" 4
111 1 49 ALA H 1 51 VAL H 3.650 . 5.500 3.734 3.564 3.925 . 0 0 "[ . 1 . 2]" 4
112 1 50 SER HA 1 53 ALA H 2.750 . 3.700 3.233 3.151 3.330 . 0 0 "[ . 1 . 2]" 4
113 1 78 LEU H 1 79 THR H 2.300 . 2.800 2.371 2.305 2.470 . 0 0 "[ . 1 . 2]" 4
114 1 29 TYR H 1 47 ILE MD 3.650 . 5.500 4.542 4.177 4.732 . 0 0 "[ . 1 . 2]" 4
115 1 48 ALA MB 1 52 SER H 2.750 . 3.700 3.567 3.517 3.619 . 0 0 "[ . 1 . 2]" 4
116 1 51 VAL HA 1 53 ALA H 3.650 . 5.500 4.458 4.324 4.597 . 0 0 "[ . 1 . 2]" 4
117 1 61 LEU QB 1 62 CYS H 2.750 . 3.700 3.667 3.546 3.706 0.006 1 0 "[ . 1 . 2]" 4
118 1 24 SER QB 1 25 ALA H 3.650 . 5.500 3.935 3.862 3.998 . 0 0 "[ . 1 . 2]" 4
119 1 41 VAL MG2 1 42 GLY H 2.750 . 3.700 3.567 3.437 3.701 0.001 16 0 "[ . 1 . 2]" 4
120 1 86 ILE H 1 87 GLU HB3 3.650 . 5.500 4.592 4.290 5.140 . 0 0 "[ . 1 . 2]" 4
121 1 83 LYS H 1 85 TRP H 4.150 . 6.500 3.746 3.575 3.916 . 0 0 "[ . 1 . 2]" 4
122 1 109 LYS QB 1 110 VAL H 3.650 . 5.500 3.249 1.851 3.990 . 0 0 "[ . 1 . 2]" 4
123 1 109 LYS QG 1 110 VAL H 3.650 . 5.500 3.969 2.491 4.891 . 0 0 "[ . 1 . 2]" 4
124 1 13 LEU H 1 13 LEU QD 2.750 . 3.700 3.739 3.716 3.760 0.060 13 0 "[ . 1 . 2]" 4
125 1 76 ALA H 1 77 VAL QG 3.650 . 5.500 3.717 3.432 3.874 . 0 0 "[ . 1 . 2]" 4
126 1 110 VAL QG 1 111 THR H 3.650 . 5.500 2.885 1.685 3.563 0.115 3 0 "[ . 1 . 2]" 4
127 1 84 LEU H 1 84 LEU QD 2.750 . 3.700 2.569 2.061 2.937 . 0 0 "[ . 1 . 2]" 4
128 1 23 PRO HG2 1 25 ALA H 3.650 . 5.500 4.832 4.675 4.932 . 0 0 "[ . 1 . 2]" 4
129 1 19 ALA H 1 22 ILE MD 3.650 . 5.500 4.557 4.011 4.742 . 0 0 "[ . 1 . 2]" 4
130 1 47 ILE HG13 1 66 LYS H 4.150 . 6.500 6.291 6.129 6.445 . 0 0 "[ . 1 . 2]" 4
131 1 89 HIS H 1 92 VAL QG 3.650 . 5.500 4.032 3.789 4.410 . 0 0 "[ . 1 . 2]" 4
132 1 83 LYS H 1 86 ILE MD 3.650 . 5.500 3.986 3.792 4.071 . 0 0 "[ . 1 . 2]" 4
133 1 31 VAL QG 1 55 LEU H 3.650 . 5.500 5.255 4.976 5.519 0.019 16 0 "[ . 1 . 2]" 4
134 1 86 ILE MD 1 89 HIS H 3.650 . 5.500 4.982 4.827 5.094 . 0 0 "[ . 1 . 2]" 4
135 1 28 VAL HB 1 86 ILE H 3.650 . 5.500 4.744 4.569 5.020 . 0 0 "[ . 1 . 2]" 4
136 1 109 LYS QD 1 110 VAL H 4.150 . 6.500 4.678 2.756 6.003 . 0 0 "[ . 1 . 2]" 4
137 1 87 GLU HG2 1 91 LYS H 4.150 . 6.500 5.412 4.972 5.854 . 0 0 "[ . 1 . 2]" 4
138 1 75 LYS QB 1 76 ALA H 3.650 . 5.500 2.881 2.616 3.182 . 0 0 "[ . 1 . 2]" 4
139 1 30 ALA H 1 31 VAL H 3.650 . 5.500 3.818 3.785 3.853 . 0 0 "[ . 1 . 2]" 4
140 1 28 VAL QG 1 42 GLY H 3.650 . 5.500 3.598 3.004 4.594 . 0 0 "[ . 1 . 2]" 4
141 1 53 ALA HA 1 57 SER H 2.750 . 3.700 3.285 3.182 3.372 . 0 0 "[ . 1 . 2]" 4
142 1 30 ALA H 1 65 VAL HB 3.650 . 5.500 5.030 4.903 5.145 . 0 0 "[ . 1 . 2]" 4
143 1 72 GLU QG 1 74 ASP H 3.650 . 5.500 4.431 3.072 5.275 . 0 0 "[ . 1 . 2]" 4
144 1 81 ALA H 1 84 LEU QB 3.650 . 5.500 5.212 4.979 5.507 0.007 18 0 "[ . 1 . 2]" 4
145 1 28 VAL QG 1 30 ALA H 3.650 . 5.500 4.690 4.273 5.506 0.006 5 0 "[ . 1 . 2]" 4
146 1 25 ALA H 1 67 VAL QG 3.650 . 5.500 5.426 5.201 5.554 0.054 17 0 "[ . 1 . 2]" 4
147 1 60 GLU QG 1 61 LEU H 3.650 . 5.500 3.724 3.535 4.030 . 0 0 "[ . 1 . 2]" 4
148 1 80 GLN QG 1 81 ALA H 3.650 . 5.500 3.457 3.177 3.628 . 0 0 "[ . 1 . 2]" 4
149 1 80 GLN QB 1 81 ALA H 2.300 . 2.800 2.309 2.147 2.457 . 0 0 "[ . 1 . 2]" 4
150 1 28 VAL QG 1 81 ALA H 4.150 . 6.500 4.100 3.718 4.528 . 0 0 "[ . 1 . 2]" 4
151 1 90 ILE H 1 92 VAL H 3.650 . 5.500 3.579 3.242 3.750 . 0 0 "[ . 1 . 2]" 4
152 1 92 VAL H 1 92 VAL MG2 2.750 . 3.700 2.860 2.035 3.708 0.008 18 0 "[ . 1 . 2]" 4
153 1 90 ILE H 1 90 ILE QG 2.750 . 3.700 2.208 2.138 2.328 . 0 0 "[ . 1 . 2]" 4
154 1 112 LEU HB2 1 113 GLU H 3.650 . 5.500 3.412 2.103 4.373 . 0 0 "[ . 1 . 2]" 4
155 1 31 VAL H 1 31 VAL QG 2.300 . 2.800 2.350 2.235 2.515 . 0 0 "[ . 1 . 2]" 4
156 1 47 ILE HB 1 51 VAL H 3.650 . 5.500 5.395 5.320 5.516 0.016 9 0 "[ . 1 . 2]" 4
157 1 40 PHE H 1 41 VAL MG2 3.650 . 5.500 3.237 2.913 3.620 . 0 0 "[ . 1 . 2]" 4
158 1 16 ILE H 1 16 ILE HG13 2.750 . 3.700 3.503 3.390 3.612 . 0 0 "[ . 1 . 2]" 4
159 1 79 THR MG 1 80 GLN H 2.750 . 3.700 3.537 3.440 3.575 . 0 0 "[ . 1 . 2]" 4
160 1 74 ASP H 1 77 VAL H 3.650 . 5.500 4.018 3.729 4.468 . 0 0 "[ . 1 . 2]" 4
161 1 109 LYS H 1 109 LYS QB 2.750 . 3.700 2.870 2.253 3.400 . 0 0 "[ . 1 . 2]" 4
162 1 16 ILE H 1 16 ILE HB 2.750 . 3.700 3.276 3.146 3.390 . 0 0 "[ . 1 . 2]" 4
163 1 28 VAL QG 1 68 GLY H 2.750 . 3.700 3.152 2.735 3.872 0.172 20 0 "[ . 1 . 2]" 4
164 1 32 TYR QD 1 37 GLU H 3.650 . 5.500 3.701 2.767 4.367 . 0 0 "[ . 1 . 2]" 4
165 1 15 PRO HB3 1 16 ILE H 2.750 . 3.700 3.405 3.185 3.547 . 0 0 "[ . 1 . 2]" 4
166 1 80 GLN H 1 80 GLN QB 2.300 . 2.800 2.188 2.082 2.266 . 0 0 "[ . 1 . 2]" 4
167 1 91 LYS H 1 91 LYS QB 2.300 . 2.800 2.456 2.300 2.793 . 0 0 "[ . 1 . 2]" 4
168 1 87 GLU HB3 1 90 ILE H 3.650 . 5.500 4.795 4.561 5.218 . 0 0 "[ . 1 . 2]" 4
169 1 18 GLU H 1 18 GLU HB2 2.750 . 3.700 2.833 2.320 3.003 . 0 0 "[ . 1 . 2]" 4
170 1 23 PRO HG2 1 48 ALA H 3.650 . 5.500 4.785 4.732 4.857 . 0 0 "[ . 1 . 2]" 4
171 1 28 VAL QG 1 44 SER H 3.650 . 5.500 4.522 4.183 4.790 . 0 0 "[ . 1 . 2]" 4
172 1 33 ASP H 1 39 GLN QB 3.650 . 5.500 4.377 4.060 4.796 . 0 0 "[ . 1 . 2]" 4
173 1 78 LEU H 1 78 LEU HB2 2.300 . 2.800 2.150 2.111 2.182 . 0 0 "[ . 1 . 2]" 4
174 1 29 TYR H 1 82 TRP HD1 3.650 . 5.500 4.311 4.174 4.439 . 0 0 "[ . 1 . 2]" 4
175 1 98 PRO HB2 1 101 LYS H 3.650 . 5.500 5.002 4.901 5.231 . 0 0 "[ . 1 . 2]" 4
176 1 84 LEU QD 1 88 GLU H 3.650 . 5.500 5.340 4.711 5.566 0.066 14 0 "[ . 1 . 2]" 4
177 1 7 SER H 1 10 GLU QG 3.650 . 5.500 3.223 1.832 4.741 . 0 0 "[ . 1 . 2]" 4
178 1 90 ILE H 1 90 ILE MD 2.750 . 3.700 3.223 2.178 3.376 . 0 0 "[ . 1 . 2]" 4
179 1 18 GLU HB3 1 20 ASP H 3.650 . 5.500 4.754 4.410 4.935 . 0 0 "[ . 1 . 2]" 4
180 1 86 ILE MD 1 90 ILE H 3.650 . 5.500 4.612 4.422 4.808 . 0 0 "[ . 1 . 2]" 4
181 1 56 LYS H 1 56 LYS QB 2.300 . 2.800 2.456 2.349 2.499 . 0 0 "[ . 1 . 2]" 4
182 1 28 VAL QG 1 85 TRP H 3.650 . 5.500 4.591 4.248 4.998 . 0 0 "[ . 1 . 2]" 4
183 1 8 LEU MD2 1 66 LYS H 3.650 . 5.500 4.214 3.959 4.473 . 0 0 "[ . 1 . 2]" 4
184 1 6 LYS QB 1 7 SER H 2.300 . 2.800 2.186 1.806 2.803 0.003 16 0 "[ . 1 . 2]" 4
185 1 39 GLN QG 1 40 PHE H 3.650 . 5.500 4.585 4.296 4.858 . 0 0 "[ . 1 . 2]" 4
186 1 18 GLU HB2 1 20 ASP H 4.150 . 6.500 4.199 3.777 5.268 . 0 0 "[ . 1 . 2]" 4
187 1 101 LYS H 1 101 LYS QG 2.750 . 3.700 2.426 2.285 2.905 . 0 0 "[ . 1 . 2]" 4
188 1 20 ASP H 1 22 ILE MD 3.650 . 5.500 4.973 4.867 5.047 . 0 0 "[ . 1 . 2]" 4
189 1 13 LEU QD 1 64 SER H 3.650 . 5.500 4.499 4.372 4.654 . 0 0 "[ . 1 . 2]" 4
190 1 54 HIS H 1 55 LEU H 2.750 . 3.700 2.251 2.165 2.339 . 0 0 "[ . 1 . 2]" 4
191 1 95 LYS H 1 95 LYS QG 2.750 . 3.700 2.705 2.115 3.795 0.095 12 0 "[ . 1 . 2]" 4
192 1 67 VAL QG 1 68 GLY H 2.750 . 3.700 3.459 3.416 3.522 . 0 0 "[ . 1 . 2]" 4
193 1 13 LEU QD 1 66 LYS H 3.650 . 5.500 3.769 3.579 4.016 . 0 0 "[ . 1 . 2]" 4
194 1 91 LYS QD 1 92 VAL H 3.650 . 5.500 4.864 4.288 5.477 . 0 0 "[ . 1 . 2]" 4
195 1 64 SER H 1 65 VAL QG 3.650 . 5.500 4.825 4.770 4.904 . 0 0 "[ . 1 . 2]" 4
196 1 84 LEU H 1 87 GLU H 3.650 . 5.500 3.948 3.821 4.170 . 0 0 "[ . 1 . 2]" 4
197 1 26 SER H 1 26 SER QB 2.300 . 2.800 2.330 2.287 2.435 . 0 0 "[ . 1 . 2]" 4
198 1 51 VAL HA 1 55 LEU H 2.750 . 3.700 3.681 3.551 3.742 0.042 17 0 "[ . 1 . 2]" 4
199 1 80 GLN H 1 80 GLN HA 2.750 . 3.700 2.690 2.668 2.708 . 0 0 "[ . 1 . 2]" 4
200 1 83 LYS HA 1 86 ILE H 2.750 . 3.700 2.729 2.704 2.753 . 0 0 "[ . 1 . 2]" 4
201 1 83 LYS HA 1 87 GLU H 2.750 . 3.700 3.273 3.110 3.360 . 0 0 "[ . 1 . 2]" 4
202 1 84 LEU HA 1 87 GLU H 3.650 . 5.500 3.683 3.328 3.978 . 0 0 "[ . 1 . 2]" 4
203 1 31 VAL HA 1 64 SER H 3.650 . 5.500 3.692 3.435 4.020 . 0 0 "[ . 1 . 2]" 4
204 1 10 GLU QG 1 11 THR H 3.650 . 5.500 4.297 3.921 4.629 . 0 0 "[ . 1 . 2]" 4
205 1 33 ASP HA 1 61 LEU H 3.650 . 5.500 4.863 4.534 5.205 . 0 0 "[ . 1 . 2]" 4
206 1 59 PRO HA 1 62 CYS H 2.750 . 3.700 3.202 2.976 3.349 . 0 0 "[ . 1 . 2]" 4
207 1 24 SER H 1 48 ALA HA 4.150 . 6.500 5.229 5.071 5.477 . 0 0 "[ . 1 . 2]" 4
208 1 20 ASP HA 1 21 SER H 2.300 . 2.800 2.754 2.738 2.769 . 0 0 "[ . 1 . 2]" 4
209 1 18 GLU HB2 1 21 SER H 3.650 . 5.500 3.334 2.956 4.326 . 0 0 "[ . 1 . 2]" 4
210 1 79 THR H 1 80 GLN QG 4.150 . 6.500 6.170 6.069 6.242 . 0 0 "[ . 1 . 2]" 4
211 1 9 THR HB 1 10 GLU H 3.650 . 5.500 3.028 2.523 3.886 . 0 0 "[ . 1 . 2]" 4
212 1 18 GLU HB3 1 21 SER H 3.650 . 5.500 4.195 3.211 4.481 . 0 0 "[ . 1 . 2]" 4
213 1 32 TYR QD 1 33 ASP H 3.650 . 5.500 4.162 3.901 4.486 . 0 0 "[ . 1 . 2]" 4
214 1 79 THR H 1 80 GLN QB 3.650 . 5.500 4.262 4.132 4.376 . 0 0 "[ . 1 . 2]" 4
215 1 33 ASP H 1 36 ASP HA 3.650 . 5.500 3.945 3.486 4.406 . 0 0 "[ . 1 . 2]" 4
216 1 26 SER H 1 45 ARG QD 4.150 . 6.500 4.990 4.226 6.086 . 0 0 "[ . 1 . 2]" 4
217 1 51 VAL HA 1 54 HIS H 2.750 . 3.700 3.470 3.400 3.524 . 0 0 "[ . 1 . 2]" 4
218 1 75 LYS QE 1 79 THR H 3.650 . 5.500 5.072 3.669 5.566 0.066 8 0 "[ . 1 . 2]" 4
219 1 29 TYR HD2 1 44 SER H 2.750 . 3.700 3.632 3.418 3.716 0.016 14 0 "[ . 1 . 2]" 4
220 1 73 PRO QD 1 74 ASP H 3.650 . 5.500 3.277 2.700 3.740 . 0 0 "[ . 1 . 2]" 4
221 1 26 SER H 1 28 VAL H 3.650 . 5.500 5.179 4.308 5.556 0.056 7 0 "[ . 1 . 2]" 4
222 1 95 LYS H 1 95 LYS QE 3.650 . 5.500 4.935 4.339 5.415 . 0 0 "[ . 1 . 2]" 4
223 1 29 TYR HB2 1 31 VAL H 3.650 . 5.500 5.100 4.944 5.297 . 0 0 "[ . 1 . 2]" 4
224 1 22 ILE HA 1 24 SER H 4.150 . 6.500 5.503 5.252 5.615 . 0 0 "[ . 1 . 2]" 4
225 1 33 ASP H 1 39 GLN QG 3.650 . 5.500 4.754 3.551 5.520 0.020 2 0 "[ . 1 . 2]" 4
226 1 65 VAL HB 1 66 LYS H 3.650 . 5.500 4.067 3.993 4.110 . 0 0 "[ . 1 . 2]" 4
227 1 33 ASP H 1 37 GLU QB 3.650 . 5.500 3.919 3.424 5.076 . 0 0 "[ . 1 . 2]" 4
228 1 34 LYS H 1 62 CYS H 3.650 . 5.500 4.920 4.226 5.523 0.023 4 0 "[ . 1 . 2]" 4
229 1 29 TYR HD2 1 42 GLY H 3.650 . 5.500 4.460 4.275 4.637 . 0 0 "[ . 1 . 2]" 4
230 1 54 HIS H 1 54 HIS HA 2.300 . 2.800 2.134 1.928 2.758 . 0 0 "[ . 1 . 2]" 4
231 1 82 TRP HA 1 85 TRP H 3.650 . 5.500 3.801 3.576 4.117 . 0 0 "[ . 1 . 2]" 4
232 1 77 VAL HA 1 78 LEU H 2.750 . 3.700 3.029 2.821 3.135 . 0 0 "[ . 1 . 2]" 4
233 1 86 ILE HA 1 90 ILE H 2.750 . 3.700 2.779 2.748 2.813 . 0 0 "[ . 1 . 2]" 4
234 1 15 PRO HD3 1 16 ILE H 3.650 . 5.500 3.475 3.027 4.489 . 0 0 "[ . 1 . 2]" 4
235 1 32 TYR QD 1 36 ASP H 4.150 . 6.500 4.913 4.491 5.415 . 0 0 "[ . 1 . 2]" 4
236 1 40 PHE QD 1 42 GLY H 3.650 . 5.500 4.810 4.428 5.094 . 0 0 "[ . 1 . 2]" 4
237 1 53 ALA HA 1 56 LYS H 2.750 . 3.700 2.822 2.788 2.844 . 0 0 "[ . 1 . 2]" 4
238 1 6 LYS HA 1 7 SER H 2.300 . 2.800 2.742 2.438 2.808 0.008 13 0 "[ . 1 . 2]" 4
239 1 84 LEU HA 1 88 GLU H 2.750 . 3.700 2.753 2.693 2.786 . 0 0 "[ . 1 . 2]" 4
240 1 88 GLU HA 1 92 VAL H 2.750 . 3.700 3.033 2.702 3.441 . 0 0 "[ . 1 . 2]" 4
241 1 6 LYS HA 1 85 TRP HE1 2.750 . 3.700 2.918 2.239 3.482 . 0 0 "[ . 1 . 2]" 4
242 1 25 ALA MB 1 67 VAL H 3.650 . 5.500 5.244 5.083 5.362 . 0 0 "[ . 1 . 2]" 4
243 1 5 VAL HA 1 85 TRP HE1 4.150 . 6.500 5.011 4.181 5.662 . 0 0 "[ . 1 . 2]" 4
244 1 14 LEU HB2 1 65 VAL H 3.650 . 5.500 3.803 3.493 3.942 . 0 0 "[ . 1 . 2]" 4
245 1 7 SER HB3 1 85 TRP HE1 3.650 . 5.500 4.973 4.543 5.509 0.009 13 0 "[ . 1 . 2]" 4
246 1 16 ILE MD 1 17 THR H 2.750 . 3.700 2.331 2.062 2.651 . 0 0 "[ . 1 . 2]" 4
247 1 86 ILE HB 1 89 HIS H 4.150 . 6.500 5.149 4.423 5.524 . 0 0 "[ . 1 . 2]" 4
248 1 28 VAL HA 1 82 TRP HE1 4.150 . 6.500 4.789 4.101 5.427 . 0 0 "[ . 1 . 2]" 4
249 1 80 GLN HA 1 84 LEU H 2.750 . 3.700 2.763 2.722 2.789 . 0 0 "[ . 1 . 2]" 4
250 1 104 ASN H 1 104 ASN QD 3.650 . 5.500 4.115 2.306 4.773 . 0 0 "[ . 1 . 2]" 4
251 1 29 TYR HE2 1 50 SER H 3.650 . 5.500 5.091 4.779 5.444 . 0 0 "[ . 1 . 2]" 4
252 1 40 PHE QD 1 100 ASN H 3.650 . 5.500 3.597 3.068 4.280 . 0 0 "[ . 1 . 2]" 4
253 1 82 TRP H 1 85 TRP HB3 4.150 . 6.500 5.721 5.578 5.899 . 0 0 "[ . 1 . 2]" 4
254 1 80 GLN QG 1 84 LEU H 3.650 . 5.500 4.323 4.083 4.656 . 0 0 "[ . 1 . 2]" 4
255 1 41 VAL HA 1 82 TRP HE1 2.750 . 3.700 2.626 2.367 2.827 . 0 0 "[ . 1 . 2]" 4
256 1 88 GLU QB 1 89 HIS H 2.750 . 3.700 2.761 2.258 3.547 . 0 0 "[ . 1 . 2]" 4
257 1 32 TYR QD 1 65 VAL H 3.650 . 5.500 4.701 4.177 5.321 . 0 0 "[ . 1 . 2]" 4
258 1 6 LYS H 1 11 THR H 3.650 . 5.500 5.165 4.603 5.514 0.014 5 0 "[ . 1 . 2]" 4
259 1 46 ASN QB 1 50 SER H 3.650 . 5.500 4.011 3.577 4.654 . 0 0 "[ . 1 . 2]" 4
260 1 81 ALA HA 1 82 TRP H 2.750 . 3.700 3.060 2.941 3.171 . 0 0 "[ . 1 . 2]" 4
261 1 6 LYS H 1 6 LYS QG 2.750 . 3.700 2.859 2.110 3.719 0.019 4 0 "[ . 1 . 2]" 4
262 1 29 TYR HD1 1 32 TYR H 4.150 . 6.500 5.246 5.165 5.324 . 0 0 "[ . 1 . 2]" 4
263 1 22 ILE MG 1 47 ILE H 3.650 . 5.500 5.081 4.861 5.440 . 0 0 "[ . 1 . 2]" 4
264 1 86 ILE H 1 89 HIS H 4.150 . 6.500 3.966 3.759 4.072 . 0 0 "[ . 1 . 2]" 4
265 1 17 THR H 1 18 GLU HB2 4.150 . 6.500 4.818 4.157 5.114 . 0 0 "[ . 1 . 2]" 4
266 1 6 LYS QD 1 7 SER H 3.650 . 5.500 4.328 3.480 5.207 . 0 0 "[ . 1 . 2]" 4
267 1 46 ASN HD21 1 48 ALA MB 3.650 . 5.500 3.234 1.988 4.151 . 0 0 "[ . 1 . 2]" 4
268 1 45 ARG HB2 1 46 ASN H 3.650 . 5.500 3.604 2.737 3.931 . 0 0 "[ . 1 . 2]" 4
269 1 40 PHE QD 1 41 VAL H 2.750 . 3.700 3.476 3.013 3.729 0.029 19 0 "[ . 1 . 2]" 4
270 1 26 SER QB 1 47 ILE H 3.650 . 5.500 5.158 4.910 5.378 . 0 0 "[ . 1 . 2]" 4
271 1 71 GLU H 1 71 GLU QG 2.750 . 3.700 2.286 1.958 2.503 . 0 0 "[ . 1 . 2]" 4
272 1 32 TYR QD 1 38 LEU H 3.650 . 5.500 3.399 2.853 4.343 . 0 0 "[ . 1 . 2]" 4
273 1 32 TYR QE 1 38 LEU H 3.650 . 5.500 3.572 3.027 4.411 . 0 0 "[ . 1 . 2]" 4
274 1 46 ASN H 1 46 ASN HD21 3.650 . 5.500 4.498 4.139 4.843 . 0 0 "[ . 1 . 2]" 4
275 1 16 ILE HB 1 17 THR H 2.750 . 3.700 3.230 3.002 3.486 . 0 0 "[ . 1 . 2]" 4
276 1 12 GLU QG 1 14 LEU H 3.650 . 5.500 4.797 4.588 5.151 . 0 0 "[ . 1 . 2]" 4
277 1 8 LEU HB3 1 85 TRP HE1 4.150 . 6.500 5.408 4.820 6.171 . 0 0 "[ . 1 . 2]" 4
278 1 5 VAL QG 1 85 TRP HE1 2.750 . 3.700 2.378 1.902 2.842 . 0 0 "[ . 1 . 2]" 4
279 1 38 LEU H 1 39 GLN QG 4.150 . 6.500 4.895 3.918 5.822 . 0 0 "[ . 1 . 2]" 4
280 1 84 LEU QD 1 85 TRP HE1 3.650 . 5.500 4.666 4.047 5.465 . 0 0 "[ . 1 . 2]" 4
281 1 11 THR HA 1 67 VAL H 3.650 . 5.500 5.027 4.674 5.449 . 0 0 "[ . 1 . 2]" 4
282 1 42 GLY HA3 1 82 TRP HE1 3.650 . 5.500 3.936 3.794 4.080 . 0 0 "[ . 1 . 2]" 4
283 1 13 LEU QD 1 14 LEU H 2.750 . 3.700 2.296 2.147 2.489 . 0 0 "[ . 1 . 2]" 4
284 1 26 SER QB 1 27 GLY H 2.750 . 3.700 3.569 2.797 3.711 0.011 6 0 "[ . 1 . 2]" 4
285 1 27 GLY H 1 44 SER HB3 3.650 . 5.500 4.384 3.835 4.789 . 0 0 "[ . 1 . 2]" 4
286 1 27 GLY H 1 45 ARG QD 3.650 . 5.500 5.121 4.669 5.623 0.123 19 0 "[ . 1 . 2]" 4
287 1 14 LEU H 1 14 LEU HB2 2.300 . 2.800 2.558 2.409 2.629 . 0 0 "[ . 1 . 2]" 4
288 1 13 LEU HB2 1 14 LEU H 2.750 . 3.700 3.507 3.437 3.551 . 0 0 "[ . 1 . 2]" 4
289 1 99 GLY H 1 107 PHE QD 3.650 . 5.500 5.010 3.727 5.509 0.009 20 0 "[ . 1 . 2]" 4
290 1 40 PHE QD 1 99 GLY H 3.650 . 5.500 4.846 3.953 5.521 0.021 12 0 "[ . 1 . 2]" 4
291 1 8 LEU HB2 1 85 TRP HE1 4.150 . 6.500 3.365 2.786 3.724 . 0 0 "[ . 1 . 2]" 4
292 1 27 GLY H 1 45 ARG HB3 3.650 . 5.500 3.565 3.395 3.743 . 0 0 "[ . 1 . 2]" 4
293 1 37 GLU QB 1 38 LEU H 2.750 . 3.700 2.894 2.069 3.530 . 0 0 "[ . 1 . 2]" 4
294 1 31 VAL QG 1 32 TYR H 2.750 . 3.700 2.758 2.562 2.916 . 0 0 "[ . 1 . 2]" 4
295 1 27 GLY H 1 28 VAL QG 3.650 . 5.500 4.872 4.559 5.154 . 0 0 "[ . 1 . 2]" 4
296 1 82 TRP HE1 1 86 ILE MD 3.650 . 5.500 4.340 4.073 4.614 . 0 0 "[ . 1 . 2]" 4
297 1 93 THR H 1 95 LYS QG 4.150 . 6.500 4.911 4.113 6.370 . 0 0 "[ . 1 . 2]" 4
298 1 32 TYR H 1 63 GLY HA3 3.650 . 5.500 4.885 4.518 5.070 . 0 0 "[ . 1 . 2]" 4
299 1 39 GLN HA 1 41 VAL H 4.150 . 6.500 5.575 5.307 5.814 . 0 0 "[ . 1 . 2]" 4
300 1 41 VAL H 1 86 ILE MD 3.650 . 5.500 4.320 3.285 4.833 . 0 0 "[ . 1 . 2]" 4
301 1 50 SER QB 1 51 VAL H 3.650 . 5.500 2.482 2.196 3.345 . 0 0 "[ . 1 . 2]" 4
302 1 14 LEU H 1 15 PRO HD2 3.650 . 5.500 3.999 3.674 4.748 . 0 0 "[ . 1 . 2]" 4
303 1 90 ILE HB 1 93 THR H 4.150 . 6.500 5.072 4.331 5.667 . 0 0 "[ . 1 . 2]" 4
304 1 92 VAL MG2 1 93 THR H 2.300 . 2.800 2.319 2.098 2.673 . 0 0 "[ . 1 . 2]" 4
305 1 59 PRO HB3 1 60 GLU H 2.300 . 2.800 2.526 2.439 2.663 . 0 0 "[ . 1 . 2]" 4
306 1 13 LEU QD 1 32 TYR H 3.650 . 5.500 4.677 4.452 4.919 . 0 0 "[ . 1 . 2]" 4
307 1 32 TYR H 1 65 VAL QG 3.650 . 5.500 3.916 3.761 4.127 . 0 0 "[ . 1 . 2]" 4
308 1 16 ILE MD 1 32 TYR H 4.150 . 6.500 5.869 5.470 6.054 . 0 0 "[ . 1 . 2]" 4
309 1 90 ILE MD 1 93 THR H 3.650 . 5.500 5.155 4.411 5.536 0.036 18 0 "[ . 1 . 2]" 4
310 1 28 VAL QG 1 85 TRP HE1 3.650 . 5.500 3.762 3.312 4.487 . 0 0 "[ . 1 . 2]" 4
311 1 83 LYS H 1 83 LYS QB 2.300 . 2.800 2.221 2.042 2.434 . 0 0 "[ . 1 . 2]" 4
312 1 80 GLN QG 1 83 LYS H 4.150 . 6.500 4.938 4.752 5.117 . 0 0 "[ . 1 . 2]" 4
313 1 86 ILE MD 1 100 ASN HD22 3.650 . 5.500 2.945 1.880 4.010 . 0 0 "[ . 1 . 2]" 4
314 1 34 LYS QD 1 35 SER H 3.650 . 5.500 4.522 3.756 5.308 . 0 0 "[ . 1 . 2]" 4
315 1 90 ILE HB 1 94 GLY H 3.650 . 5.500 4.364 3.925 4.898 . 0 0 "[ . 1 . 2]" 4
316 1 16 ILE HG12 1 63 GLY H 3.650 . 5.500 4.849 4.160 5.499 . 0 0 "[ . 1 . 2]" 4
317 1 8 LEU HB2 1 9 THR H 2.750 . 3.700 2.884 2.046 3.408 . 0 0 "[ . 1 . 2]" 4
318 1 28 VAL QG 1 29 TYR H 2.750 . 3.700 2.589 2.145 3.348 . 0 0 "[ . 1 . 2]" 4
319 1 51 VAL H 1 53 ALA H 3.650 . 5.500 3.688 3.579 3.782 . 0 0 "[ . 1 . 2]" 4
320 1 82 TRP H 1 82 TRP HA 2.300 . 2.800 2.326 2.254 2.359 . 0 0 "[ . 1 . 2]" 4
321 1 8 LEU HB3 1 10 GLU H 3.650 . 5.500 4.833 4.270 5.391 . 0 0 "[ . 1 . 2]" 4
322 1 112 LEU H 1 112 LEU QD 3.650 . 5.500 2.440 1.701 3.276 0.099 4 0 "[ . 1 . 2]" 4
323 1 90 ILE MD 1 94 GLY H 3.650 . 5.500 4.141 3.373 4.399 . 0 0 "[ . 1 . 2]" 4
324 1 39 GLN H 1 41 VAL MG1 3.650 . 5.500 4.909 4.612 5.305 . 0 0 "[ . 1 . 2]" 4
325 1 14 LEU HB2 1 22 ILE H 2.300 . 2.800 2.137 2.065 2.233 . 0 0 "[ . 1 . 2]" 4
326 1 8 LEU HB3 1 9 THR H 2.750 . 3.700 3.473 2.603 3.729 0.029 19 0 "[ . 1 . 2]" 4
327 1 13 LEU QD 1 65 VAL H 2.750 . 3.700 2.775 2.530 2.986 . 0 0 "[ . 1 . 2]" 4
328 1 53 ALA MB 1 57 SER H 3.650 . 5.500 4.663 4.460 4.766 . 0 0 "[ . 1 . 2]" 4
329 1 16 ILE MG 1 63 GLY H 3.650 . 5.500 2.608 2.023 2.854 . 0 0 "[ . 1 . 2]" 4
330 1 92 VAL MG2 1 94 GLY H 2.750 . 3.700 3.276 2.406 3.862 0.162 18 0 "[ . 1 . 2]" 4
331 1 50 SER H 1 50 SER QB 2.750 . 3.700 2.372 2.195 2.710 . 0 0 "[ . 1 . 2]" 4
332 1 37 GLU QB 1 39 GLN HE21 3.650 . 5.500 3.557 2.169 4.661 . 0 0 "[ . 1 . 2]" 4
333 1 74 ASP H 1 77 VAL QG 3.650 . 5.500 3.186 2.157 3.927 . 0 0 "[ . 1 . 2]" 4
334 1 17 THR HA 1 19 ALA H 3.650 . 5.500 3.776 3.420 3.956 . 0 0 "[ . 1 . 2]" 4
335 1 55 LEU MD2 1 61 LEU H 2.750 . 3.700 3.346 3.149 3.549 . 0 0 "[ . 1 . 2]" 4
336 1 78 LEU HA 1 82 TRP H 2.750 . 3.700 3.280 3.083 3.368 . 0 0 "[ . 1 . 2]" 4
337 1 13 LEU QD 1 67 VAL H 3.650 . 5.500 4.905 4.627 5.078 . 0 0 "[ . 1 . 2]" 4
338 1 28 VAL H 1 67 VAL QG 3.650 . 5.500 5.341 5.068 5.476 . 0 0 "[ . 1 . 2]" 4
339 1 81 ALA H 1 82 TRP HA 3.650 . 5.500 4.365 4.211 4.420 . 0 0 "[ . 1 . 2]" 4
340 1 41 VAL MG1 1 86 ILE H 2.750 . 3.700 3.365 2.941 3.675 . 0 0 "[ . 1 . 2]" 4
341 1 96 VAL H 1 96 VAL QG 2.750 . 3.700 2.656 2.243 3.084 . 0 0 "[ . 1 . 2]" 4
342 1 110 VAL H 1 110 VAL QG 2.750 . 3.700 2.200 1.884 2.648 . 0 0 "[ . 1 . 2]" 4
343 1 30 ALA H 1 66 LYS HA 3.650 . 5.500 3.386 3.279 3.560 . 0 0 "[ . 1 . 2]" 4
344 1 9 THR H 1 10 GLU HB3 4.150 . 6.500 4.418 2.881 5.663 . 0 0 "[ . 1 . 2]" 4
345 1 49 ALA HA 1 50 SER H 2.300 . 2.800 2.708 2.682 2.749 . 0 0 "[ . 1 . 2]" 4
346 1 17 THR H 1 19 ALA H 3.650 . 5.500 4.462 4.232 4.600 . 0 0 "[ . 1 . 2]" 4
347 1 56 LYS QB 1 57 SER H 2.750 . 3.700 3.096 2.868 3.304 . 0 0 "[ . 1 . 2]" 4
348 1 61 LEU QB 1 63 GLY H 3.650 . 5.500 4.512 4.200 5.002 . 0 0 "[ . 1 . 2]" 4
349 1 34 LYS H 1 35 SER QB 3.650 . 5.500 4.763 4.379 4.950 . 0 0 "[ . 1 . 2]" 4
350 1 30 ALA H 1 32 TYR QE 3.650 . 5.500 4.636 4.233 4.985 . 0 0 "[ . 1 . 2]" 4
351 1 31 VAL H 1 32 TYR H 3.650 . 5.500 3.889 3.846 3.942 . 0 0 "[ . 1 . 2]" 4
352 1 30 ALA H 1 32 TYR QD 3.650 . 5.500 5.082 4.874 5.395 . 0 0 "[ . 1 . 2]" 4
353 1 112 LEU H 1 112 LEU HB2 2.750 . 3.700 2.547 1.923 3.473 . 0 0 "[ . 1 . 2]" 4
354 1 20 ASP QB 1 22 ILE H 4.150 . 6.500 4.654 4.543 4.838 . 0 0 "[ . 1 . 2]" 4
355 1 59 PRO HB3 1 62 CYS H 3.650 . 5.500 4.642 4.403 4.892 . 0 0 "[ . 1 . 2]" 4
356 1 80 GLN HE22 1 84 LEU QD 3.650 . 5.500 4.484 3.810 4.954 . 0 0 "[ . 1 . 2]" 4
357 1 32 TYR QD 1 39 GLN H 3.650 . 5.500 4.958 4.713 5.132 . 0 0 "[ . 1 . 2]" 4
358 1 10 GLU H 1 10 GLU QG 2.750 . 3.700 2.474 2.140 2.855 . 0 0 "[ . 1 . 2]" 4
359 1 18 GLU HB2 1 22 ILE H 4.150 . 6.500 4.811 4.381 5.393 . 0 0 "[ . 1 . 2]" 4
360 1 55 LEU MD2 1 60 GLU H 3.650 . 5.500 4.540 4.228 4.852 . 0 0 "[ . 1 . 2]" 4
361 1 39 GLN H 1 39 GLN QG 3.650 . 5.500 3.538 2.977 4.049 . 0 0 "[ . 1 . 2]" 4
362 1 37 GLU QB 1 39 GLN H 3.650 . 5.500 4.833 4.436 5.557 0.057 11 0 "[ . 1 . 2]" 4
363 1 47 ILE HB 1 50 SER H 4.150 . 6.500 4.359 2.820 4.949 . 0 0 "[ . 1 . 2]" 4
364 1 15 PRO HA 1 17 THR H 3.650 . 5.500 3.764 3.675 3.887 . 0 0 "[ . 1 . 2]" 4
365 1 111 THR HA 1 112 LEU H 2.750 . 3.700 2.515 2.018 2.804 . 0 0 "[ . 1 . 2]" 4
366 1 44 SER HB2 1 46 ASN H 3.650 . 5.500 3.509 3.234 3.798 . 0 0 "[ . 1 . 2]" 4
367 1 89 HIS H 1 90 ILE QG 4.150 . 6.500 4.090 3.899 4.229 . 0 0 "[ . 1 . 2]" 4
368 1 108 VAL H 1 109 LYS QB 3.650 . 5.500 4.379 3.379 5.207 . 0 0 "[ . 1 . 2]" 4
369 1 7 SER HB2 1 10 GLU H 3.650 . 5.500 3.737 3.281 3.934 . 0 0 "[ . 1 . 2]" 4
370 1 89 HIS HA 1 93 THR H 3.650 . 5.500 3.175 2.644 3.909 . 0 0 "[ . 1 . 2]" 4
371 1 35 SER H 1 36 ASP H 2.750 . 3.700 2.331 2.214 2.446 . 0 0 "[ . 1 . 2]" 4
372 1 70 VAL H 1 70 VAL QG 2.300 . 2.800 2.066 1.854 2.251 . 0 0 "[ . 1 . 2]" 4
373 1 82 TRP H 1 83 LYS H 2.300 . 2.800 2.467 2.408 2.548 . 0 0 "[ . 1 . 2]" 4
374 1 39 GLN H 1 39 GLN QB 2.750 . 3.700 2.537 2.362 2.640 . 0 0 "[ . 1 . 2]" 4
375 1 35 SER QB 1 36 ASP H 2.750 . 3.700 3.411 3.259 3.666 . 0 0 "[ . 1 . 2]" 4
376 1 55 LEU MD2 1 58 VAL H 3.650 . 5.500 3.951 3.305 4.360 . 0 0 "[ . 1 . 2]" 4
377 1 39 GLN H 1 61 LEU HG 4.150 . 6.500 5.575 5.189 6.069 . 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 538
_Distance_constraint_stats_list.Viol_count 305
_Distance_constraint_stats_list.Viol_total 153.657
_Distance_constraint_stats_list.Viol_max 0.157
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0252
_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 4 ALA 0.004 0.004 4 0 "[ . 1 . 2]"
1 5 VAL 0.004 0.004 4 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.032 0.032 10 0 "[ . 1 . 2]"
1 8 LEU 0.273 0.057 13 0 "[ . 1 . 2]"
1 9 THR 0.130 0.032 10 0 "[ . 1 . 2]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.277 0.057 13 0 "[ . 1 . 2]"
1 12 GLU 0.119 0.119 11 0 "[ . 1 . 2]"
1 13 LEU 0.104 0.027 6 0 "[ . 1 . 2]"
1 14 LEU 0.234 0.119 11 0 "[ . 1 . 2]"
1 15 PRO 0.248 0.061 17 0 "[ . 1 . 2]"
1 16 ILE 0.248 0.038 15 0 "[ . 1 . 2]"
1 17 THR 0.035 0.022 16 0 "[ . 1 . 2]"
1 18 GLU 0.103 0.029 3 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ILE 0.147 0.034 2 0 "[ . 1 . 2]"
1 23 PRO 0.357 0.050 17 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.756 0.157 20 0 "[ . 1 . 2]"
1 26 SER 0.031 0.031 13 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.457 0.111 19 0 "[ . 1 . 2]"
1 29 TYR 0.088 0.019 10 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.112 0.070 11 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.117 0.032 15 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 0.330 0.062 10 0 "[ . 1 . 2]"
1 41 VAL 0.318 0.086 16 0 "[ . 1 . 2]"
1 42 GLY 0.085 0.025 20 0 "[ . 1 . 2]"
1 43 ILE 0.718 0.111 19 0 "[ . 1 . 2]"
1 44 SER 0.020 0.020 13 0 "[ . 1 . 2]"
1 45 ARG 0.031 0.031 13 0 "[ . 1 . 2]"
1 46 ASN 0.710 0.157 20 0 "[ . 1 . 2]"
1 47 ILE 0.398 0.050 17 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 11 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.020 0.020 13 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 HIS 0.012 0.012 5 0 "[ . 1 . 2]"
1 55 LEU 0.676 0.045 7 0 "[ . 1 . 2]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.034 0.026 9 0 "[ . 1 . 2]"
1 59 PRO 0.310 0.037 10 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.021 0.016 6 0 "[ . 1 . 2]"
1 62 CYS 0.030 0.015 4 0 "[ . 1 . 2]"
1 63 GLY 0.112 0.070 11 0 "[ . 1 . 2]"
1 64 SER 0.683 0.061 17 0 "[ . 1 . 2]"
1 65 VAL 0.209 0.038 15 0 "[ . 1 . 2]"
1 66 LYS 0.142 0.050 20 0 "[ . 1 . 2]"
1 67 VAL 0.083 0.019 8 0 "[ . 1 . 2]"
1 68 GLY 0.083 0.019 8 0 "[ . 1 . 2]"
1 69 ILE 0.105 0.040 6 0 "[ . 1 . 2]"
1 70 VAL 0.079 0.040 6 0 "[ . 1 . 2]"
1 71 GLU 0.069 0.023 19 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.079 0.020 20 0 "[ . 1 . 2]"
1 74 ASP 0.275 0.040 7 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.242 0.040 7 0 "[ . 1 . 2]"
1 78 LEU 0.056 0.017 16 0 "[ . 1 . 2]"
1 79 THR 0.012 0.012 13 0 "[ . 1 . 2]"
1 80 GLN 0.210 0.047 6 0 "[ . 1 . 2]"
1 81 ALA 0.045 0.028 2 0 "[ . 1 . 2]"
1 82 TRP 0.294 0.038 16 0 "[ . 1 . 2]"
1 83 LYS 0.396 0.118 20 0 "[ . 1 . 2]"
1 84 LEU 0.312 0.035 1 0 "[ . 1 . 2]"
1 85 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.205 0.090 16 0 "[ . 1 . 2]"
1 87 GLU 0.446 0.118 20 0 "[ . 1 . 2]"
1 88 GLU 0.124 0.050 15 0 "[ . 1 . 2]"
1 89 HIS 0.494 0.079 16 0 "[ . 1 . 2]"
1 90 ILE 0.176 0.078 20 0 "[ . 1 . 2]"
1 91 LYS 0.045 0.014 6 0 "[ . 1 . 2]"
1 92 VAL 0.118 0.038 18 0 "[ . 1 . 2]"
1 93 THR 0.558 0.079 16 0 "[ . 1 . 2]"
1 94 GLY 0.078 0.078 20 0 "[ . 1 . 2]"
1 95 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 VAL 0.326 0.062 10 0 "[ . 1 . 2]"
1 98 PRO 0.098 0.053 12 0 "[ . 1 . 2]"
1 99 GLY 0.222 0.099 16 0 "[ . 1 . 2]"
1 100 ASN 0.280 0.086 16 0 "[ . 1 . 2]"
1 101 LYS 0.337 0.099 16 0 "[ . 1 . 2]"
1 105 ASN 0.027 0.024 8 0 "[ . 1 . 2]"
1 106 THR 0.061 0.026 9 0 "[ . 1 . 2]"
1 107 PHE 0.012 0.012 5 0 "[ . 1 . 2]"
1 108 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 THR 0.069 0.069 4 0 "[ . 1 . 2]"
1 112 LEU 0.069 0.069 4 0 "[ . 1 . 2]"
1 113 GLU 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 55 LEU HA 1 59 PRO HD3 4.150 . 6.500 5.492 5.363 5.647 . 0 0 "[ . 1 . 2]" 5
2 1 34 LYS HA 1 34 LYS HG3 3.650 . 5.500 3.451 2.500 4.263 . 0 0 "[ . 1 . 2]" 5
3 1 23 PRO HD2 1 67 VAL MG2 3.650 . 5.500 2.134 1.992 2.310 . 0 0 "[ . 1 . 2]" 5
4 1 13 LEU HB3 1 13 LEU MD2 2.750 . 3.700 3.204 3.196 3.210 . 0 0 "[ . 1 . 2]" 5
5 1 30 ALA MB 1 38 LEU MD2 2.300 . 2.800 1.873 1.805 1.940 . 0 0 "[ . 1 . 2]" 5
6 1 22 ILE HA 1 23 PRO HD2 2.750 . 3.700 2.487 2.328 2.618 . 0 0 "[ . 1 . 2]" 5
7 1 106 THR HA 1 106 THR MG 2.300 . 2.800 2.276 2.140 2.366 . 0 0 "[ . 1 . 2]" 5
8 1 8 LEU MD2 1 11 THR MG 3.650 . 3.700 2.970 2.395 3.427 . 0 0 "[ . 1 . 2]" 5
9 1 8 LEU MD1 1 8 LEU MD2 2.300 . 2.800 2.044 2.014 2.085 . 0 0 "[ . 1 . 2]" 5
10 1 6 LYS HA 1 7 SER H 2.750 . 3.700 3.432 2.656 3.625 . 0 0 "[ . 1 . 2]" 5
11 1 51 VAL HA 1 51 VAL MG2 2.300 . 2.800 2.324 2.262 2.401 . 0 0 "[ . 1 . 2]" 5
12 1 55 LEU HA 1 55 LEU MD2 2.300 . 2.800 1.998 1.942 2.025 . 0 0 "[ . 1 . 2]" 5
13 1 32 TYR HB3 1 36 ASP HA 3.650 . 3.700 2.310 1.975 2.816 . 0 0 "[ . 1 . 2]" 5
14 1 55 LEU MD2 1 59 PRO HD3 4.150 . 6.500 6.173 5.808 6.359 . 0 0 "[ . 1 . 2]" 5
15 1 38 LEU MD2 1 41 VAL MG1 2.300 . 2.800 1.920 1.817 2.035 . 0 0 "[ . 1 . 2]" 5
16 1 38 LEU MD1 1 41 VAL MG1 3.650 . 5.500 1.925 1.864 2.022 . 0 0 "[ . 1 . 2]" 5
17 1 30 ALA MB 1 38 LEU HG 2.750 . 3.700 2.970 2.544 3.491 . 0 0 "[ . 1 . 2]" 5
18 1 25 ALA MB 1 69 ILE MD 2.750 . 3.700 3.435 1.920 3.712 0.012 8 0 "[ . 1 . 2]" 5
19 1 41 VAL MG1 1 41 VAL MG2 2.300 . 2.800 2.044 2.025 2.069 . 0 0 "[ . 1 . 2]" 5
20 1 30 ALA MB 1 41 VAL MG1 2.750 . 2.800 2.141 1.895 2.409 . 0 0 "[ . 1 . 2]" 5
21 1 30 ALA MB 1 41 VAL MG2 3.650 . 5.500 4.457 4.257 4.703 . 0 0 "[ . 1 . 2]" 5
22 1 38 LEU MD1 1 38 LEU HG 2.300 . 2.800 2.127 2.117 2.141 . 0 0 "[ . 1 . 2]" 5
23 1 113 GLU H 1 113 GLU HA 2.750 . 3.700 2.786 2.177 2.955 . 0 0 "[ . 1 . 2]" 5
24 1 55 LEU MD2 1 59 PRO HA 2.750 . 3.700 3.621 2.905 3.737 0.037 6 0 "[ . 1 . 2]" 5
25 1 38 LEU MD1 1 41 VAL MG2 3.650 . 5.500 3.110 2.762 3.391 . 0 0 "[ . 1 . 2]" 5
26 1 106 THR HB 1 106 THR MG 2.300 . 2.800 2.149 2.142 2.158 . 0 0 "[ . 1 . 2]" 5
27 1 48 ALA HA 1 51 VAL MG2 3.650 . 5.500 3.574 3.115 3.987 . 0 0 "[ . 1 . 2]" 5
28 1 80 GLN HG2 1 84 LEU MD2 2.750 . 3.700 3.377 2.344 3.731 0.031 19 0 "[ . 1 . 2]" 5
29 1 86 ILE MD 1 87 GLU HA 3.650 . 5.500 4.871 4.664 5.079 . 0 0 "[ . 1 . 2]" 5
30 1 58 VAL MG2 1 59 PRO HD2 3.650 . 5.500 3.531 3.004 5.035 . 0 0 "[ . 1 . 2]" 5
31 1 13 LEU MD1 1 32 TYR HB3 4.150 . 6.500 6.077 5.858 6.404 . 0 0 "[ . 1 . 2]" 5
32 1 86 ILE MD 1 87 GLU HG2 3.650 . 5.500 4.939 4.475 5.503 0.003 12 0 "[ . 1 . 2]" 5
33 1 55 LEU MD2 1 62 CYS HB2 3.650 . 5.500 4.280 3.544 4.705 . 0 0 "[ . 1 . 2]" 5
34 1 74 ASP HB2 1 77 VAL MG2 2.750 . 3.700 3.327 3.047 3.728 0.028 20 0 "[ . 1 . 2]" 5
35 1 38 LEU HG 1 89 HIS HB3 3.650 . 5.500 4.308 3.301 5.176 . 0 0 "[ . 1 . 2]" 5
36 1 30 ALA MB 1 85 TRP HB3 3.650 . 5.500 3.415 3.195 3.705 . 0 0 "[ . 1 . 2]" 5
37 1 13 LEU MD1 1 32 TYR HB2 3.650 . 5.500 5.167 4.928 5.442 . 0 0 "[ . 1 . 2]" 5
38 1 73 PRO HA 1 74 ASP HB2 3.650 . 5.500 5.414 5.229 5.520 0.020 20 0 "[ . 1 . 2]" 5
39 1 25 ALA MB 1 69 ILE HA 4.150 . 6.500 4.017 3.377 4.489 . 0 0 "[ . 1 . 2]" 5
40 1 8 LEU HA 1 8 LEU MD2 2.300 . 2.800 2.084 1.941 2.304 . 0 0 "[ . 1 . 2]" 5
41 1 86 ILE MG 1 89 HIS H 4.150 . 6.500 5.246 5.086 5.346 . 0 0 "[ . 1 . 2]" 5
42 1 22 ILE HA 1 22 ILE MD 2.750 . 3.700 2.125 2.067 2.178 . 0 0 "[ . 1 . 2]" 5
43 1 42 GLY HA2 1 43 ILE MD 3.650 . 5.500 4.948 4.780 5.052 . 0 0 "[ . 1 . 2]" 5
44 1 38 LEU HA 1 38 LEU MD2 2.300 . 2.800 2.155 2.097 2.320 . 0 0 "[ . 1 . 2]" 5
45 1 89 HIS H 1 90 ILE MD 3.650 . 5.500 5.219 4.877 5.379 . 0 0 "[ . 1 . 2]" 5
46 1 16 ILE MG 1 65 VAL HB 3.650 . 5.500 2.517 2.169 2.767 . 0 0 "[ . 1 . 2]" 5
47 1 58 VAL MG1 1 58 VAL MG2 2.300 . 2.800 2.084 2.021 2.098 . 0 0 "[ . 1 . 2]" 5
48 1 8 LEU HA 1 11 THR MG 3.650 . 5.500 3.622 3.420 3.865 . 0 0 "[ . 1 . 2]" 5
49 1 8 LEU HA 1 30 ALA MB 3.650 . 5.500 4.768 4.434 5.161 . 0 0 "[ . 1 . 2]" 5
50 1 13 LEU MD2 1 32 TYR HB2 3.650 . 5.500 3.574 3.296 3.912 . 0 0 "[ . 1 . 2]" 5
51 1 38 LEU MD1 1 89 HIS HB3 3.650 . 5.500 2.653 2.070 3.237 . 0 0 "[ . 1 . 2]" 5
52 1 38 LEU HA 1 38 LEU MD1 2.750 . 3.700 3.344 3.245 3.463 . 0 0 "[ . 1 . 2]" 5
53 1 90 ILE MG 1 94 GLY HA3 3.650 . 5.500 4.427 3.750 5.578 0.078 20 0 "[ . 1 . 2]" 5
54 1 83 LYS HG3 1 87 GLU HG2 4.150 . 6.500 5.269 4.043 6.618 0.118 20 0 "[ . 1 . 2]" 5
55 1 13 LEU MD2 1 32 TYR HB3 4.150 . 6.500 4.511 4.242 4.866 . 0 0 "[ . 1 . 2]" 5
56 1 80 GLN HE22 1 80 GLN HG2 3.650 . 5.500 3.577 3.464 3.804 . 0 0 "[ . 1 . 2]" 5
57 1 13 LEU MD2 1 64 SER HB3 2.750 . 3.700 3.067 1.995 3.353 . 0 0 "[ . 1 . 2]" 5
58 1 41 VAL MG1 1 86 ILE HA 2.750 . 3.700 3.082 2.716 3.287 . 0 0 "[ . 1 . 2]" 5
59 1 80 GLN HA 1 80 GLN HG2 2.750 . 3.700 3.091 3.001 3.273 . 0 0 "[ . 1 . 2]" 5
60 1 13 LEU HB2 1 13 LEU MD1 2.750 . 3.700 3.218 3.211 3.227 . 0 0 "[ . 1 . 2]" 5
61 1 13 LEU MD2 1 64 SER HB2 2.750 . 3.700 2.031 1.885 2.337 . 0 0 "[ . 1 . 2]" 5
62 1 19 ALA HA 1 22 ILE HG12 2.750 . 3.700 1.946 1.874 2.064 . 0 0 "[ . 1 . 2]" 5
63 1 80 GLN H 1 80 GLN HG2 3.650 . 5.500 4.408 4.291 4.500 . 0 0 "[ . 1 . 2]" 5
64 1 13 LEU HB2 1 13 LEU MD2 2.750 . 3.700 2.421 2.384 2.463 . 0 0 "[ . 1 . 2]" 5
65 1 13 LEU MD1 1 64 SER HB3 2.750 . 3.700 2.554 2.034 2.842 . 0 0 "[ . 1 . 2]" 5
66 1 13 LEU HB3 1 13 LEU MD1 2.300 . 2.800 2.369 2.338 2.394 . 0 0 "[ . 1 . 2]" 5
67 1 8 LEU MD1 1 88 GLU HG3 4.150 . 6.500 3.294 2.357 4.830 . 0 0 "[ . 1 . 2]" 5
68 1 41 VAL MG2 1 86 ILE HG13 2.750 . 3.700 3.238 3.031 3.491 . 0 0 "[ . 1 . 2]" 5
69 1 38 LEU MD2 1 89 HIS HB3 3.650 . 5.500 5.086 4.573 5.527 0.027 14 0 "[ . 1 . 2]" 5
70 1 8 LEU MD2 1 85 TRP HA 4.150 . 6.500 3.811 3.152 4.545 . 0 0 "[ . 1 . 2]" 5
71 1 8 LEU H 1 8 LEU MD1 3.650 . 5.500 3.615 3.330 4.183 . 0 0 "[ . 1 . 2]" 5
72 1 58 VAL HB 1 58 VAL MG2 2.300 . 2.800 2.128 2.119 2.144 . 0 0 "[ . 1 . 2]" 5
73 1 8 LEU MD1 1 38 LEU MD1 3.650 . 5.500 3.623 2.857 5.514 0.014 4 0 "[ . 1 . 2]" 5
74 1 47 ILE H 1 47 ILE MD 2.750 . 3.700 3.584 3.545 3.646 . 0 0 "[ . 1 . 2]" 5
75 1 14 LEU MD2 1 14 LEU HG 2.300 . 2.800 2.125 2.115 2.135 . 0 0 "[ . 1 . 2]" 5
76 1 38 LEU MD2 1 86 ILE HA 3.650 . 5.500 4.792 4.298 5.309 . 0 0 "[ . 1 . 2]" 5
77 1 8 LEU MD2 1 9 THR HA 4.150 . 6.500 5.492 4.575 5.893 . 0 0 "[ . 1 . 2]" 5
78 1 8 LEU MD1 1 11 THR MG 3.650 . 5.500 5.140 4.556 5.557 0.057 13 0 "[ . 1 . 2]" 5
79 1 8 LEU MD1 1 9 THR H 3.650 . 5.500 4.577 3.145 4.982 . 0 0 "[ . 1 . 2]" 5
80 1 16 ILE HA 1 16 ILE MD 2.750 . 3.700 3.617 3.571 3.649 . 0 0 "[ . 1 . 2]" 5
81 1 22 ILE MD 1 23 PRO HD2 2.750 . 3.700 3.569 3.326 3.734 0.034 12 0 "[ . 1 . 2]" 5
82 1 27 GLY HA3 1 69 ILE MG 3.650 . 5.500 4.153 3.718 4.713 . 0 0 "[ . 1 . 2]" 5
83 1 42 GLY HA2 1 43 ILE MG 3.650 . 5.500 3.664 3.596 3.765 . 0 0 "[ . 1 . 2]" 5
84 1 67 VAL MG1 1 68 GLY HA2 3.650 . 5.500 5.492 5.447 5.519 0.019 8 0 "[ . 1 . 2]" 5
85 1 4 ALA HA 1 70 VAL MG2 3.650 . 5.500 3.329 1.918 5.305 . 0 0 "[ . 1 . 2]" 5
86 1 86 ILE MG 1 87 GLU HA 2.750 . 3.700 3.390 3.228 3.622 . 0 0 "[ . 1 . 2]" 5
87 1 87 GLU HA 1 90 ILE MD 3.650 . 5.500 2.707 2.064 4.373 . 0 0 "[ . 1 . 2]" 5
88 1 22 ILE MD 1 48 ALA HA 3.650 . 5.500 4.700 4.590 4.952 . 0 0 "[ . 1 . 2]" 5
89 1 90 ILE HA 1 90 ILE MG 2.750 . 3.700 2.473 2.259 2.555 . 0 0 "[ . 1 . 2]" 5
90 1 16 ILE MG 1 62 CYS HA 2.750 . 3.700 2.597 2.169 3.307 . 0 0 "[ . 1 . 2]" 5
91 1 69 ILE HA 1 69 ILE MG 2.300 . 2.800 2.492 2.417 2.574 . 0 0 "[ . 1 . 2]" 5
92 1 9 THR HB 1 9 THR MG 2.300 . 2.800 2.143 2.126 2.150 . 0 0 "[ . 1 . 2]" 5
93 1 9 THR HA 1 9 THR MG 2.750 . 3.700 2.400 2.196 3.221 . 0 0 "[ . 1 . 2]" 5
94 1 49 ALA HA 1 49 ALA MB 2.300 . 2.800 2.129 2.118 2.140 . 0 0 "[ . 1 . 2]" 5
95 1 19 ALA HA 1 19 ALA MB 2.300 . 2.800 2.125 2.118 2.134 . 0 0 "[ . 1 . 2]" 5
96 1 25 ALA HA 1 47 ILE MD 3.650 . 5.500 5.249 5.057 5.520 0.020 6 0 "[ . 1 . 2]" 5
97 1 43 ILE MD 1 79 THR HB 3.650 . 5.500 4.595 4.116 4.848 . 0 0 "[ . 1 . 2]" 5
98 1 16 ILE MD 1 62 CYS HA 2.750 . 3.700 3.296 2.800 3.637 . 0 0 "[ . 1 . 2]" 5
99 1 23 PRO HA 1 47 ILE MG 4.150 . 6.500 5.697 5.497 5.897 . 0 0 "[ . 1 . 2]" 5
100 1 58 VAL HA 1 58 VAL MG1 2.750 . 3.700 3.143 2.198 3.259 . 0 0 "[ . 1 . 2]" 5
101 1 47 ILE MG 1 67 VAL HA 3.650 . 5.500 3.746 3.563 3.913 . 0 0 "[ . 1 . 2]" 5
102 1 22 ILE MD 1 22 ILE HG12 2.300 . 2.800 2.088 2.061 2.106 . 0 0 "[ . 1 . 2]" 5
103 1 16 ILE MD 1 16 ILE HG13 2.300 . 2.800 2.123 2.116 2.131 . 0 0 "[ . 1 . 2]" 5
104 1 22 ILE MG 1 67 VAL HB 3.650 . 5.500 4.166 3.800 4.493 . 0 0 "[ . 1 . 2]" 5
105 1 76 ALA HA 1 76 ALA MB 2.300 . 2.800 2.132 2.116 2.142 . 0 0 "[ . 1 . 2]" 5
106 1 28 VAL HA 1 43 ILE MG 2.750 . 3.700 2.512 2.050 2.705 . 0 0 "[ . 1 . 2]" 5
107 1 67 VAL HA 1 67 VAL MG1 2.750 . 3.700 2.359 2.296 2.391 . 0 0 "[ . 1 . 2]" 5
108 1 43 ILE HA 1 43 ILE MG 2.750 . 3.700 2.271 2.240 2.304 . 0 0 "[ . 1 . 2]" 5
109 1 90 ILE HB 1 90 ILE MG 2.300 . 2.800 2.130 2.110 2.142 . 0 0 "[ . 1 . 2]" 5
110 1 16 ILE MG 1 64 SER HA 3.650 . 5.500 2.177 1.982 2.515 . 0 0 "[ . 1 . 2]" 5
111 1 4 ALA HA 1 4 ALA MB 2.300 . 2.800 2.140 2.118 2.155 . 0 0 "[ . 1 . 2]" 5
112 1 47 ILE MD 1 67 VAL HB 2.750 . 3.700 2.314 2.167 2.514 . 0 0 "[ . 1 . 2]" 5
113 1 53 ALA HA 1 53 ALA MB 2.300 . 2.800 2.126 2.111 2.135 . 0 0 "[ . 1 . 2]" 5
114 1 87 GLU HG2 1 90 ILE MG 3.650 . 5.500 4.327 3.801 5.532 0.032 20 0 "[ . 1 . 2]" 5
115 1 47 ILE HA 1 47 ILE MD 3.650 . 5.500 3.824 3.789 3.846 . 0 0 "[ . 1 . 2]" 5
116 1 93 THR HA 1 93 THR MG 2.750 . 3.700 2.661 2.151 3.251 . 0 0 "[ . 1 . 2]" 5
117 1 19 ALA MB 1 20 ASP HA 3.650 . 5.500 3.966 3.866 4.059 . 0 0 "[ . 1 . 2]" 5
118 1 86 ILE MG 1 87 GLU HG3 2.750 . 3.700 2.655 2.169 3.617 . 0 0 "[ . 1 . 2]" 5
119 1 53 ALA MB 1 54 HIS HA 4.150 . 6.500 3.710 3.648 3.771 . 0 0 "[ . 1 . 2]" 5
120 1 86 ILE MG 1 87 GLU HG2 2.750 . 3.700 3.174 2.089 3.701 0.001 8 0 "[ . 1 . 2]" 5
121 1 23 PRO HA 1 48 ALA MB 3.650 . 5.500 4.089 3.884 4.553 . 0 0 "[ . 1 . 2]" 5
122 1 47 ILE HA 1 47 ILE MG 2.750 . 3.700 2.451 2.410 2.522 . 0 0 "[ . 1 . 2]" 5
123 1 90 ILE MD 1 91 LYS H 3.650 . 5.500 4.648 4.036 4.857 . 0 0 "[ . 1 . 2]" 5
124 1 16 ILE H 1 16 ILE MD 2.750 . 3.700 1.957 1.799 2.188 0.001 2 0 "[ . 1 . 2]" 5
125 1 22 ILE H 1 22 ILE MG 3.650 . 5.500 3.786 3.762 3.820 . 0 0 "[ . 1 . 2]" 5
126 1 19 ALA H 1 22 ILE MD 4.150 . 6.500 4.642 4.057 4.832 . 0 0 "[ . 1 . 2]" 5
127 1 89 HIS HB2 1 93 THR MG 3.650 . 5.500 4.868 3.649 5.579 0.079 16 0 "[ . 1 . 2]" 5
128 1 43 ILE MD 1 44 SER H 3.650 . 5.500 4.798 4.538 4.992 . 0 0 "[ . 1 . 2]" 5
129 1 43 ILE MD 1 43 ILE MG 2.300 . 2.800 1.919 1.881 1.960 . 0 0 "[ . 1 . 2]" 5
130 1 67 VAL HB 1 67 VAL MG1 2.300 . 2.800 2.124 2.113 2.134 . 0 0 "[ . 1 . 2]" 5
131 1 58 VAL HB 1 58 VAL MG1 2.300 . 2.800 2.113 2.091 2.123 . 0 0 "[ . 1 . 2]" 5
132 1 16 ILE HG13 1 16 ILE MG 2.300 . 2.800 2.351 2.318 2.416 . 0 0 "[ . 1 . 2]" 5
133 1 47 ILE MG 1 48 ALA MB 3.650 . 5.500 3.925 3.689 4.058 . 0 0 "[ . 1 . 2]" 5
134 1 20 ASP H 1 22 ILE MD 4.150 . 6.500 5.157 5.030 5.272 . 0 0 "[ . 1 . 2]" 5
135 1 14 LEU H 1 22 ILE MD 4.150 . 6.500 4.672 4.433 4.961 . 0 0 "[ . 1 . 2]" 5
136 1 77 VAL HB 1 81 ALA MB 3.650 . 5.500 5.123 4.496 5.528 0.028 2 0 "[ . 1 . 2]" 5
137 1 16 ILE MD 1 65 VAL HA 4.150 . 6.500 6.427 6.195 6.538 0.038 15 0 "[ . 1 . 2]" 5
138 1 16 ILE MD 1 64 SER HA 3.650 . 5.500 3.234 2.873 3.615 . 0 0 "[ . 1 . 2]" 5
139 1 16 ILE HA 1 16 ILE MG 2.750 . 3.700 2.478 2.403 2.562 . 0 0 "[ . 1 . 2]" 5
140 1 81 ALA HA 1 81 ALA MB 2.300 . 2.800 2.136 2.128 2.145 . 0 0 "[ . 1 . 2]" 5
141 1 43 ILE HA 1 43 ILE MD 3.650 . 5.500 4.213 4.171 4.233 . 0 0 "[ . 1 . 2]" 5
142 1 51 VAL HA 1 51 VAL MG1 2.750 . 2.800 2.494 2.417 2.531 . 0 0 "[ . 1 . 2]" 5
143 1 93 THR HB 1 93 THR MG 2.300 . 2.800 2.130 2.113 2.144 . 0 0 "[ . 1 . 2]" 5
144 1 16 ILE MG 1 63 GLY HA3 3.650 . 5.500 4.283 3.940 4.558 . 0 0 "[ . 1 . 2]" 5
145 1 82 TRP HZ2 1 86 ILE MG 3.650 . 5.500 4.280 4.070 4.477 . 0 0 "[ . 1 . 2]" 5
146 1 82 TRP HZ3 1 86 ILE MG 3.650 . 5.500 3.255 2.828 3.665 . 0 0 "[ . 1 . 2]" 5
147 1 53 ALA MB 1 54 HIS HB3 4.150 . 6.500 3.846 3.701 4.027 . 0 0 "[ . 1 . 2]" 5
148 1 22 ILE H 1 22 ILE MD 2.750 . 3.700 3.109 3.045 3.158 . 0 0 "[ . 1 . 2]" 5
149 1 43 ILE MD 1 82 TRP HE3 3.650 . 5.500 5.454 5.154 5.538 0.038 16 0 "[ . 1 . 2]" 5
150 1 29 TYR HD2 1 47 ILE MD 2.750 . 3.700 3.653 3.311 3.719 0.019 10 0 "[ . 1 . 2]" 5
151 1 23 PRO HD3 1 47 ILE MG 3.650 . 5.500 5.100 4.844 5.353 . 0 0 "[ . 1 . 2]" 5
152 1 16 ILE MD 1 62 CYS H 4.150 . 6.500 5.127 4.877 5.334 . 0 0 "[ . 1 . 2]" 5
153 1 74 ASP HB2 1 76 ALA MB 3.650 . 5.500 4.994 4.602 5.337 . 0 0 "[ . 1 . 2]" 5
154 1 22 ILE MG 1 25 ALA H 3.650 . 5.500 4.979 4.728 5.210 . 0 0 "[ . 1 . 2]" 5
155 1 28 VAL MG2 1 68 GLY H 3.650 . 5.500 3.956 2.746 4.597 . 0 0 "[ . 1 . 2]" 5
156 1 7 SER H 1 9 THR MG 4.150 . 6.500 5.889 3.268 6.532 0.032 10 0 "[ . 1 . 2]" 5
157 1 29 TYR HA 1 42 GLY H 3.650 . 5.500 4.835 4.704 4.928 . 0 0 "[ . 1 . 2]" 5
158 1 47 ILE H 1 47 ILE MG 3.650 . 5.500 3.771 3.745 3.788 . 0 0 "[ . 1 . 2]" 5
159 1 59 PRO HA 1 59 PRO HD3 3.650 . 5.500 3.873 3.754 3.956 . 0 0 "[ . 1 . 2]" 5
160 1 59 PRO HA 1 59 PRO HD2 3.650 . 5.500 3.932 3.879 4.085 . 0 0 "[ . 1 . 2]" 5
161 1 64 SER HB3 1 65 VAL HA 4.150 . 6.500 5.470 4.449 5.695 . 0 0 "[ . 1 . 2]" 5
162 1 111 THR H 1 111 THR HB 3.650 . 5.500 2.949 2.477 4.096 . 0 0 "[ . 1 . 2]" 5
163 1 111 THR HB 1 112 LEU H 3.650 . 5.500 3.420 2.326 4.439 . 0 0 "[ . 1 . 2]" 5
164 1 79 THR HA 1 79 THR HB 2.750 . 3.700 3.033 3.020 3.041 . 0 0 "[ . 1 . 2]" 5
165 1 4 ALA MB 1 5 VAL H 2.750 . 3.700 3.161 1.972 3.704 0.004 4 0 "[ . 1 . 2]" 5
166 1 9 THR H 1 9 THR MG 2.750 . 3.700 3.535 2.072 3.727 0.027 20 0 "[ . 1 . 2]" 5
167 1 64 SER HB2 1 65 VAL HA 3.650 . 5.500 4.339 4.209 4.625 . 0 0 "[ . 1 . 2]" 5
168 1 5 VAL HA 1 5 VAL HB 2.750 . 3.700 2.826 2.381 3.048 . 0 0 "[ . 1 . 2]" 5
169 1 111 THR HA 1 111 THR MG 2.750 . 3.700 2.405 2.220 3.253 . 0 0 "[ . 1 . 2]" 5
170 1 8 LEU H 1 9 THR MG 4.150 . 6.500 5.645 3.966 6.145 . 0 0 "[ . 1 . 2]" 5
171 1 43 ILE MG 1 82 TRP HE1 3.650 . 5.500 4.519 4.196 4.739 . 0 0 "[ . 1 . 2]" 5
172 1 29 TYR HA 1 67 VAL HA 3.650 . 5.500 2.275 2.179 2.486 . 0 0 "[ . 1 . 2]" 5
173 1 17 THR HA 1 19 ALA H 3.650 . 5.500 3.788 3.427 3.971 . 0 0 "[ . 1 . 2]" 5
174 1 17 THR HA 1 17 THR MG 2.750 . 3.700 2.778 2.181 3.248 . 0 0 "[ . 1 . 2]" 5
175 1 67 VAL H 1 67 VAL MG1 2.750 . 3.700 2.907 2.792 3.039 . 0 0 "[ . 1 . 2]" 5
176 1 69 ILE HA 1 69 ILE MD 2.750 . 3.700 2.943 2.043 3.116 . 0 0 "[ . 1 . 2]" 5
177 1 86 ILE MD 1 96 VAL HA 3.650 . 5.500 3.630 2.764 4.548 . 0 0 "[ . 1 . 2]" 5
178 1 25 ALA HA 1 69 ILE MD 4.150 . 6.500 6.072 4.211 6.449 . 0 0 "[ . 1 . 2]" 5
179 1 86 ILE MD 1 100 ASN HA 3.650 . 5.500 4.674 3.720 5.394 . 0 0 "[ . 1 . 2]" 5
180 1 25 ALA H 1 67 VAL MG1 4.150 . 6.500 6.093 5.936 6.299 . 0 0 "[ . 1 . 2]" 5
181 1 68 GLY HA3 1 69 ILE MD 3.650 . 5.500 4.228 4.066 5.132 . 0 0 "[ . 1 . 2]" 5
182 1 23 PRO HB3 1 69 ILE MD 3.650 . 5.500 2.952 2.645 3.144 . 0 0 "[ . 1 . 2]" 5
183 1 43 ILE MG 1 82 TRP HD1 3.650 . 5.500 2.442 2.171 2.642 . 0 0 "[ . 1 . 2]" 5
184 1 29 TYR HA 1 67 VAL MG1 3.650 . 5.500 3.359 3.152 3.537 . 0 0 "[ . 1 . 2]" 5
185 1 29 TYR HA 1 47 ILE MG 3.650 . 5.500 4.138 3.972 4.306 . 0 0 "[ . 1 . 2]" 5
186 1 83 LYS HG3 1 86 ILE MG 3.650 . 5.500 3.976 3.218 4.869 . 0 0 "[ . 1 . 2]" 5
187 1 38 LEU MD1 1 90 ILE MD 3.650 . 5.500 5.137 4.257 5.532 0.032 15 0 "[ . 1 . 2]" 5
188 1 25 ALA H 1 69 ILE MD 3.650 . 5.500 4.550 3.294 5.003 . 0 0 "[ . 1 . 2]" 5
189 1 16 ILE MG 1 62 CYS H 3.650 . 5.500 5.112 4.739 5.502 0.002 10 0 "[ . 1 . 2]" 5
190 1 86 ILE H 1 86 ILE MD 3.650 . 5.500 4.532 4.482 4.562 . 0 0 "[ . 1 . 2]" 5
191 1 26 SER H 1 69 ILE MD 4.150 . 6.500 5.797 3.290 6.180 . 0 0 "[ . 1 . 2]" 5
192 1 29 TYR HA 1 29 TYR HB2 2.750 . 3.700 2.450 2.417 2.486 . 0 0 "[ . 1 . 2]" 5
193 1 92 VAL HA 1 93 THR HB 4.150 . 6.500 5.966 5.038 6.538 0.038 18 0 "[ . 1 . 2]" 5
194 1 93 THR H 1 93 THR MG 2.750 . 3.700 2.606 2.137 3.499 . 0 0 "[ . 1 . 2]" 5
195 1 111 THR HB 1 112 LEU MD2 3.650 . 5.500 3.893 2.011 5.569 0.069 4 0 "[ . 1 . 2]" 5
196 1 111 THR HB 1 111 THR MG 2.300 . 2.800 2.146 2.135 2.153 . 0 0 "[ . 1 . 2]" 5
197 1 43 ILE H 1 43 ILE MG 2.750 . 3.700 3.012 2.870 3.229 . 0 0 "[ . 1 . 2]" 5
198 1 14 LEU H 1 65 VAL HA 3.650 . 5.500 4.760 4.696 4.830 . 0 0 "[ . 1 . 2]" 5
199 1 16 ILE MG 1 17 THR H 3.650 . 5.500 4.036 3.930 4.206 . 0 0 "[ . 1 . 2]" 5
200 1 43 ILE MG 1 82 TRP HE3 4.150 . 6.500 5.392 5.172 5.708 . 0 0 "[ . 1 . 2]" 5
201 1 14 LEU MD1 1 15 PRO HD3 2.750 . 3.700 3.297 2.979 3.620 . 0 0 "[ . 1 . 2]" 5
202 1 14 LEU MD1 1 15 PRO HD2 2.750 . 3.700 3.223 2.860 3.493 . 0 0 "[ . 1 . 2]" 5
203 1 22 ILE MG 1 23 PRO HD2 2.750 . 3.700 2.363 2.169 2.681 . 0 0 "[ . 1 . 2]" 5
204 1 14 LEU HB3 1 15 PRO HD3 3.650 . 5.500 3.833 3.486 4.164 . 0 0 "[ . 1 . 2]" 5
205 1 13 LEU HB3 1 15 PRO HD3 3.650 . 5.500 5.129 4.733 5.508 0.008 10 0 "[ . 1 . 2]" 5
206 1 13 LEU HB2 1 14 LEU H 3.650 . 5.500 4.336 4.265 4.406 . 0 0 "[ . 1 . 2]" 5
207 1 14 LEU HB3 1 65 VAL H 3.650 . 5.500 4.714 4.496 4.917 . 0 0 "[ . 1 . 2]" 5
208 1 27 GLY HA3 1 70 VAL MG1 2.750 . 3.700 3.046 2.520 3.631 . 0 0 "[ . 1 . 2]" 5
209 1 13 LEU HB3 1 14 LEU MD2 3.650 . 5.500 4.688 4.598 4.733 . 0 0 "[ . 1 . 2]" 5
210 1 14 LEU H 1 14 LEU HB2 3.650 . 5.500 2.573 2.420 2.646 . 0 0 "[ . 1 . 2]" 5
211 1 20 ASP H 1 20 ASP HB2 2.750 . 3.700 2.679 2.470 3.592 . 0 0 "[ . 1 . 2]" 5
212 1 63 GLY HA3 1 64 SER HB2 4.150 . 6.500 5.429 4.464 5.749 . 0 0 "[ . 1 . 2]" 5
213 1 12 GLU HA 1 13 LEU HB2 3.650 . 5.500 4.084 3.988 4.188 . 0 0 "[ . 1 . 2]" 5
214 1 34 LYS HG2 1 63 GLY HA3 3.650 . 5.500 4.759 3.165 5.570 0.070 11 0 "[ . 1 . 2]" 5
215 1 14 LEU HB2 1 15 PRO HD3 3.650 . 5.500 4.701 4.531 4.838 . 0 0 "[ . 1 . 2]" 5
216 1 23 PRO HD2 1 48 ALA MB 3.650 . 5.500 4.722 4.509 4.956 . 0 0 "[ . 1 . 2]" 5
217 1 81 ALA HA 1 82 TRP H 2.750 . 3.700 3.518 3.478 3.533 . 0 0 "[ . 1 . 2]" 5
218 1 78 LEU HA 1 78 LEU MD2 2.300 . 2.800 2.087 2.054 2.128 . 0 0 "[ . 1 . 2]" 5
219 1 83 LYS HA 1 86 ILE HG13 4.150 . 6.500 6.285 6.107 6.509 0.009 7 0 "[ . 1 . 2]" 5
220 1 8 LEU HA 1 8 LEU HG 3.650 . 5.500 2.968 2.574 3.894 . 0 0 "[ . 1 . 2]" 5
221 1 8 LEU HA 1 8 LEU MD1 3.650 . 5.500 3.739 3.274 3.880 . 0 0 "[ . 1 . 2]" 5
222 1 22 ILE MG 1 48 ALA HA 2.300 . 2.800 2.156 2.018 2.331 . 0 0 "[ . 1 . 2]" 5
223 1 38 LEU HA 1 41 VAL MG1 3.650 . 5.500 5.005 4.803 5.260 . 0 0 "[ . 1 . 2]" 5
224 1 23 PRO HD3 1 23 PRO HG2 2.750 . 3.700 2.674 2.655 2.699 . 0 0 "[ . 1 . 2]" 5
225 1 15 PRO HD2 1 15 PRO HG3 2.750 . 3.700 2.998 2.987 3.014 . 0 0 "[ . 1 . 2]" 5
226 1 23 PRO HD3 1 48 ALA MB 3.650 . 5.500 5.225 5.041 5.500 0.000 11 0 "[ . 1 . 2]" 5
227 1 23 PRO HD2 1 25 ALA MB 4.150 . 6.500 5.791 5.370 6.071 . 0 0 "[ . 1 . 2]" 5
228 1 23 PRO HD2 1 23 PRO HG2 2.750 . 3.700 2.323 2.294 2.360 . 0 0 "[ . 1 . 2]" 5
229 1 22 ILE HG12 1 23 PRO HD3 3.650 . 5.500 5.160 5.100 5.264 . 0 0 "[ . 1 . 2]" 5
230 1 14 LEU HA 1 15 PRO HD3 2.750 . 3.700 1.972 1.897 2.091 . 0 0 "[ . 1 . 2]" 5
231 1 15 PRO HA 1 15 PRO HD2 3.650 . 5.500 3.920 3.895 3.945 . 0 0 "[ . 1 . 2]" 5
232 1 14 LEU HA 1 15 PRO HD2 3.650 . 5.500 2.677 2.456 2.940 . 0 0 "[ . 1 . 2]" 5
233 1 15 PRO HD3 1 64 SER HA 4.150 . 6.500 5.914 5.269 6.233 . 0 0 "[ . 1 . 2]" 5
234 1 55 LEU HA 1 59 PRO HD2 4.150 . 6.500 6.355 6.212 6.537 0.037 10 0 "[ . 1 . 2]" 5
235 1 71 GLU H 1 71 GLU HG2 2.750 . 3.700 3.196 2.251 3.683 . 0 0 "[ . 1 . 2]" 5
236 1 12 GLU HG3 1 14 LEU H 3.650 . 5.500 4.989 4.725 5.619 0.119 11 0 "[ . 1 . 2]" 5
237 1 32 TYR H 1 65 VAL HB 3.650 . 5.500 4.032 3.889 4.147 . 0 0 "[ . 1 . 2]" 5
238 1 71 GLU H 1 71 GLU HG3 2.750 . 3.700 2.634 1.971 3.714 0.014 13 0 "[ . 1 . 2]" 5
239 1 14 LEU HB3 1 65 VAL MG1 2.750 . 3.700 3.313 3.066 3.572 . 0 0 "[ . 1 . 2]" 5
240 1 40 PHE HB3 1 61 LEU MD1 2.300 . 2.800 2.564 2.316 2.816 0.016 6 0 "[ . 1 . 2]" 5
241 1 105 ASN HB3 1 108 VAL MG2 3.650 . 5.500 3.768 1.844 5.247 . 0 0 "[ . 1 . 2]" 5
242 1 105 ASN HB3 1 106 THR MG 4.150 . 6.500 5.746 4.136 6.524 0.024 8 0 "[ . 1 . 2]" 5
243 1 43 ILE HB 1 43 ILE MD 2.750 . 3.700 2.468 2.392 2.518 . 0 0 "[ . 1 . 2]" 5
244 1 16 ILE HB 1 16 ILE MG 2.300 . 2.800 2.108 2.098 2.116 . 0 0 "[ . 1 . 2]" 5
245 1 10 GLU H 1 10 GLU HG2 3.650 . 5.500 3.326 2.155 4.081 . 0 0 "[ . 1 . 2]" 5
246 1 90 ILE HB 1 93 THR H 4.150 . 6.500 6.071 5.633 6.436 . 0 0 "[ . 1 . 2]" 5
247 1 64 SER HA 1 65 VAL HB 3.650 . 5.500 4.263 4.151 4.398 . 0 0 "[ . 1 . 2]" 5
248 1 87 GLU HG3 1 88 GLU H 3.650 . 5.500 4.654 4.258 5.016 . 0 0 "[ . 1 . 2]" 5
249 1 18 GLU H 1 18 GLU HG3 2.750 . 3.700 3.144 2.933 3.729 0.029 3 0 "[ . 1 . 2]" 5
250 1 18 GLU H 1 18 GLU HG2 2.750 . 3.700 2.166 1.902 2.596 . 0 0 "[ . 1 . 2]" 5
251 1 65 VAL HB 1 66 LYS H 3.650 . 5.500 4.102 4.026 4.149 . 0 0 "[ . 1 . 2]" 5
252 1 16 ILE H 1 65 VAL HB 3.650 . 5.500 5.379 5.145 5.521 0.021 20 0 "[ . 1 . 2]" 5
253 1 85 TRP H 1 88 GLU HG3 4.150 . 6.500 5.511 4.781 6.445 . 0 0 "[ . 1 . 2]" 5
254 1 87 GLU H 1 87 GLU HG3 2.750 . 3.700 2.561 2.227 3.271 . 0 0 "[ . 1 . 2]" 5
255 1 105 ASN HA 1 105 ASN HB2 2.750 . 3.700 2.675 2.409 3.029 . 0 0 "[ . 1 . 2]" 5
256 1 74 ASP HA 1 74 ASP HB2 2.750 . 3.700 2.495 2.412 2.621 . 0 0 "[ . 1 . 2]" 5
257 1 16 ILE HB 1 64 SER HA 3.650 . 5.500 5.067 4.818 5.304 . 0 0 "[ . 1 . 2]" 5
258 1 112 LEU H 1 112 LEU HB2 3.650 . 5.500 2.781 2.405 3.869 . 0 0 "[ . 1 . 2]" 5
259 1 54 HIS H 1 55 LEU HB2 3.650 . 5.500 4.877 4.520 5.038 . 0 0 "[ . 1 . 2]" 5
260 1 20 ASP HB2 1 21 SER H 3.650 . 5.500 4.155 4.006 4.250 . 0 0 "[ . 1 . 2]" 5
261 1 20 ASP HB3 1 22 ILE H 4.150 . 6.500 5.008 4.862 5.431 . 0 0 "[ . 1 . 2]" 5
262 1 16 ILE H 1 16 ILE HB 3.650 . 5.500 3.715 3.665 3.771 . 0 0 "[ . 1 . 2]" 5
263 1 19 ALA MB 1 20 ASP HB2 4.150 . 6.500 4.370 3.992 5.389 . 0 0 "[ . 1 . 2]" 5
264 1 19 ALA MB 1 20 ASP HB3 4.150 . 6.500 4.809 4.281 5.041 . 0 0 "[ . 1 . 2]" 5
265 1 16 ILE HA 1 16 ILE HB 2.750 . 3.700 2.358 2.319 2.393 . 0 0 "[ . 1 . 2]" 5
266 1 74 ASP HB2 1 77 VAL HB 3.650 . 5.500 4.637 3.773 5.540 0.040 7 0 "[ . 1 . 2]" 5
267 1 16 ILE HB 1 16 ILE HG13 2.750 . 3.700 2.449 2.407 2.490 . 0 0 "[ . 1 . 2]" 5
268 1 78 LEU HB2 1 79 THR MG 3.650 . 5.500 5.259 5.035 5.424 . 0 0 "[ . 1 . 2]" 5
269 1 112 LEU HA 1 112 LEU HB2 2.750 . 3.700 2.946 2.441 3.046 . 0 0 "[ . 1 . 2]" 5
270 1 112 LEU HA 1 112 LEU HB3 2.750 . 3.700 2.492 2.277 2.622 . 0 0 "[ . 1 . 2]" 5
271 1 20 ASP HA 1 20 ASP HB2 2.750 . 3.700 2.439 2.368 2.522 . 0 0 "[ . 1 . 2]" 5
272 1 20 ASP HA 1 20 ASP HB3 2.750 . 3.700 2.999 2.571 3.033 . 0 0 "[ . 1 . 2]" 5
273 1 105 ASN HB3 1 106 THR HA 4.150 . 6.500 4.762 3.743 5.806 . 0 0 "[ . 1 . 2]" 5
274 1 14 LEU HB3 1 23 PRO HD2 4.150 . 6.500 5.841 5.235 6.505 0.005 15 0 "[ . 1 . 2]" 5
275 1 15 PRO HA 1 16 ILE HB 4.150 . 6.500 5.791 5.718 5.867 . 0 0 "[ . 1 . 2]" 5
276 1 16 ILE HB 1 17 THR HA 3.650 . 5.500 4.863 4.653 5.060 . 0 0 "[ . 1 . 2]" 5
277 1 90 ILE HA 1 94 GLY HA2 3.650 . 5.500 2.503 1.990 3.391 . 0 0 "[ . 1 . 2]" 5
278 1 44 SER HB2 1 50 SER HB2 3.650 . 5.500 3.396 2.888 4.263 . 0 0 "[ . 1 . 2]" 5
279 1 7 SER HB2 1 8 LEU HA 3.650 . 5.500 4.987 4.565 5.372 . 0 0 "[ . 1 . 2]" 5
280 1 85 TRP HB2 1 86 ILE HA 3.650 . 5.500 4.405 4.157 4.600 . 0 0 "[ . 1 . 2]" 5
281 1 8 LEU HA 1 11 THR HA 3.650 . 5.500 4.841 4.565 5.162 . 0 0 "[ . 1 . 2]" 5
282 1 79 THR HA 1 82 TRP HB2 3.650 . 5.500 2.958 2.552 3.141 . 0 0 "[ . 1 . 2]" 5
283 1 29 TYR HE2 1 47 ILE HA 3.650 . 5.500 3.753 3.457 4.142 . 0 0 "[ . 1 . 2]" 5
284 1 7 SER HB2 1 11 THR H 4.150 . 6.500 6.021 5.610 6.386 . 0 0 "[ . 1 . 2]" 5
285 1 15 PRO HA 1 64 SER HB2 3.650 . 5.500 3.692 3.085 4.388 . 0 0 "[ . 1 . 2]" 5
286 1 15 PRO HA 1 64 SER HB3 3.650 . 5.500 3.081 2.602 3.544 . 0 0 "[ . 1 . 2]" 5
287 1 64 SER HA 1 64 SER HB2 2.750 . 3.700 2.629 2.493 3.054 . 0 0 "[ . 1 . 2]" 5
288 1 43 ILE MG 1 79 THR HA 2.750 . 3.700 3.252 2.874 3.712 0.012 13 0 "[ . 1 . 2]" 5
289 1 13 LEU MD1 1 64 SER HB2 2.750 . 3.700 2.331 2.017 3.296 . 0 0 "[ . 1 . 2]" 5
290 1 26 SER HB2 1 45 ARG HB2 4.150 . 6.500 5.025 2.950 6.531 0.031 13 0 "[ . 1 . 2]" 5
291 1 23 PRO HB2 1 47 ILE HA 4.150 . 6.500 6.453 6.184 6.550 0.050 17 0 "[ . 1 . 2]" 5
292 1 92 VAL HA 1 92 VAL MG1 2.750 . 3.700 2.783 2.290 3.254 . 0 0 "[ . 1 . 2]" 5
293 1 15 PRO HB2 1 64 SER HB3 4.150 . 6.500 5.853 5.332 6.333 . 0 0 "[ . 1 . 2]" 5
294 1 15 PRO HG3 1 64 SER HB3 3.650 . 5.500 4.790 3.983 5.363 . 0 0 "[ . 1 . 2]" 5
295 1 29 TYR HB2 1 47 ILE HA 4.150 . 6.500 5.826 5.489 6.037 . 0 0 "[ . 1 . 2]" 5
296 1 92 VAL HA 1 92 VAL HB 2.300 . 2.800 2.439 2.399 2.475 . 0 0 "[ . 1 . 2]" 5
297 1 15 PRO HG3 1 64 SER HB2 3.650 . 5.500 5.399 4.909 5.561 0.061 17 0 "[ . 1 . 2]" 5
298 1 86 ILE HA 1 87 GLU HB2 4.150 . 6.500 5.797 5.640 5.961 . 0 0 "[ . 1 . 2]" 5
299 1 106 THR HB 1 107 PHE HB3 4.150 . 6.500 5.781 5.228 6.294 . 0 0 "[ . 1 . 2]" 5
300 1 8 LEU HB2 1 11 THR HB 3.650 . 5.500 5.220 4.941 5.497 . 0 0 "[ . 1 . 2]" 5
301 1 58 VAL MG1 1 106 THR HB 4.150 . 6.500 2.723 2.006 3.557 . 0 0 "[ . 1 . 2]" 5
302 1 58 VAL MG2 1 106 THR HB 4.150 . 6.500 3.677 2.472 4.609 . 0 0 "[ . 1 . 2]" 5
303 1 7 SER H 1 9 THR HB 4.150 . 6.500 5.063 4.218 5.985 . 0 0 "[ . 1 . 2]" 5
304 1 93 THR HB 1 95 LYS HB2 4.150 . 6.500 4.882 3.666 6.353 . 0 0 "[ . 1 . 2]" 5
305 1 11 THR HB 1 66 LYS QB 3.650 . 5.500 2.633 2.398 3.143 . 0 0 "[ . 1 . 2]" 5
306 1 9 THR HB 1 10 GLU H 3.650 . 5.500 3.089 2.532 4.217 . 0 0 "[ . 1 . 2]" 5
307 1 93 THR HA 1 93 THR HB 2.750 . 3.700 2.479 2.377 2.766 . 0 0 "[ . 1 . 2]" 5
308 1 51 VAL HA 1 54 HIS H 3.650 . 5.500 4.056 3.870 4.238 . 0 0 "[ . 1 . 2]" 5
309 1 51 VAL HA 1 55 LEU H 3.650 . 5.500 4.172 3.856 4.376 . 0 0 "[ . 1 . 2]" 5
310 1 79 THR HA 1 82 TRP HE3 3.650 . 5.500 3.989 3.591 4.459 . 0 0 "[ . 1 . 2]" 5
311 1 86 ILE HA 1 90 ILE H 3.650 . 5.500 4.208 4.018 4.399 . 0 0 "[ . 1 . 2]" 5
312 1 90 ILE H 1 90 ILE HA 2.750 . 3.700 2.820 2.792 2.872 . 0 0 "[ . 1 . 2]" 5
313 1 26 SER HB3 1 27 GLY H 3.650 . 5.500 3.885 2.875 4.094 . 0 0 "[ . 1 . 2]" 5
314 1 64 SER H 1 64 SER HB3 3.650 . 5.500 3.650 3.490 3.950 . 0 0 "[ . 1 . 2]" 5
315 1 77 VAL HA 1 78 LEU H 2.750 . 3.700 3.515 3.473 3.536 . 0 0 "[ . 1 . 2]" 5
316 1 79 THR HA 1 82 TRP H 2.750 . 3.700 3.462 3.201 3.613 . 0 0 "[ . 1 . 2]" 5
317 1 58 VAL MG2 1 106 THR HA 4.150 . 6.500 5.781 4.741 6.526 0.026 9 0 "[ . 1 . 2]" 5
318 1 82 TRP HE3 1 83 LYS HA 3.650 . 5.500 2.650 2.415 3.065 . 0 0 "[ . 1 . 2]" 5
319 1 82 TRP HZ3 1 83 LYS HA 3.650 . 5.500 3.563 3.272 3.926 . 0 0 "[ . 1 . 2]" 5
320 1 88 GLU H 1 88 GLU HA 2.750 . 3.700 2.796 2.734 2.841 . 0 0 "[ . 1 . 2]" 5
321 1 55 LEU HA 1 56 LYS H 3.650 . 5.500 3.471 3.439 3.558 . 0 0 "[ . 1 . 2]" 5
322 1 54 HIS HD2 1 107 PHE HA 3.650 . 5.500 4.583 3.713 5.512 0.012 5 0 "[ . 1 . 2]" 5
323 1 91 LYS HA 1 92 VAL H 2.750 . 3.700 3.544 3.440 3.596 . 0 0 "[ . 1 . 2]" 5
324 1 96 VAL HA 1 101 LYS H 4.150 . 6.500 5.806 5.249 6.517 0.017 1 0 "[ . 1 . 2]" 5
325 1 74 ASP H 1 75 LYS HA 4.150 . 6.500 5.412 5.134 5.650 . 0 0 "[ . 1 . 2]" 5
326 1 83 LYS HA 1 87 GLU H 3.650 . 5.500 3.884 3.396 4.177 . 0 0 "[ . 1 . 2]" 5
327 1 107 PHE HA 1 107 PHE HB3 2.750 . 3.700 2.502 2.410 2.575 . 0 0 "[ . 1 . 2]" 5
328 1 78 LEU HA 1 81 ALA MB 3.650 . 5.500 3.066 2.827 3.371 . 0 0 "[ . 1 . 2]" 5
329 1 22 ILE HB 1 48 ALA HA 3.650 . 5.500 2.594 2.337 2.947 . 0 0 "[ . 1 . 2]" 5
330 1 80 GLN HA 1 83 LYS HG3 3.650 . 5.500 4.839 3.393 5.547 0.047 6 0 "[ . 1 . 2]" 5
331 1 47 ILE HB 1 48 ALA HA 3.650 . 5.500 4.306 4.233 4.442 . 0 0 "[ . 1 . 2]" 5
332 1 83 LYS HA 1 83 LYS HG3 3.650 . 3.700 2.851 2.415 3.611 . 0 0 "[ . 1 . 2]" 5
333 1 79 THR MG 1 83 LYS HA 4.150 . 6.500 4.975 4.606 5.481 . 0 0 "[ . 1 . 2]" 5
334 1 83 LYS HA 1 84 LEU HA 3.650 . 5.500 4.758 4.636 4.864 . 0 0 "[ . 1 . 2]" 5
335 1 88 GLU HA 1 89 HIS HB2 4.150 . 6.500 5.709 5.480 5.833 . 0 0 "[ . 1 . 2]" 5
336 1 27 GLY HA2 1 78 LEU HA 3.650 . 5.500 4.703 4.185 5.110 . 0 0 "[ . 1 . 2]" 5
337 1 40 PHE HA 1 96 VAL HA 4.150 . 6.500 6.223 5.181 6.562 0.062 10 0 "[ . 1 . 2]" 5
338 1 83 LYS HA 1 87 GLU HG2 4.150 . 6.500 4.987 3.156 5.785 . 0 0 "[ . 1 . 2]" 5
339 1 83 LYS HA 1 83 LYS HB2 2.750 . 3.700 2.607 2.401 3.007 . 0 0 "[ . 1 . 2]" 5
340 1 71 GLU HA 1 71 GLU HG2 2.300 . 2.800 2.593 2.446 2.823 0.023 19 0 "[ . 1 . 2]" 5
341 1 88 GLU HA 1 88 GLU HG2 3.650 . 5.500 3.226 2.370 4.305 . 0 0 "[ . 1 . 2]" 5
342 1 24 SER HB3 1 49 ALA H 4.150 . 6.500 4.821 4.256 5.537 . 0 0 "[ . 1 . 2]" 5
343 1 89 HIS HA 1 89 HIS HD2 3.650 . 5.500 3.707 3.095 4.294 . 0 0 "[ . 1 . 2]" 5
344 1 42 GLY H 1 82 TRP HA 3.650 . 5.500 5.378 4.926 5.525 0.025 20 0 "[ . 1 . 2]" 5
345 1 24 SER HB3 1 48 ALA H 3.650 . 5.500 4.317 3.936 4.629 . 0 0 "[ . 1 . 2]" 5
346 1 26 SER HA 1 69 ILE HA 4.150 . 6.500 5.761 5.492 6.275 . 0 0 "[ . 1 . 2]" 5
347 1 16 ILE HA 1 64 SER HA 3.650 . 5.500 4.440 4.154 4.646 . 0 0 "[ . 1 . 2]" 5
348 1 24 SER HB3 1 25 ALA H 3.650 . 5.500 4.540 4.491 4.593 . 0 0 "[ . 1 . 2]" 5
349 1 41 VAL MG2 1 86 ILE HA 2.750 . 3.700 3.215 2.890 3.732 0.032 13 0 "[ . 1 . 2]" 5
350 1 44 SER HB2 1 51 VAL MG2 3.650 . 5.500 4.860 4.244 5.520 0.020 13 0 "[ . 1 . 2]" 5
351 1 58 VAL MG1 1 106 THR HA 4.150 . 6.500 4.502 3.998 5.152 . 0 0 "[ . 1 . 2]" 5
352 1 8 LEU MD1 1 9 THR HA 4.150 . 6.500 5.428 2.788 6.047 . 0 0 "[ . 1 . 2]" 5
353 1 50 SER HA 1 52 SER H 3.650 . 5.500 4.819 4.718 4.934 . 0 0 "[ . 1 . 2]" 5
354 1 16 ILE HA 1 65 VAL H 3.650 . 5.500 4.852 4.599 5.263 . 0 0 "[ . 1 . 2]" 5
355 1 12 GLU H 1 12 GLU HA 2.750 . 3.700 2.874 2.819 2.912 . 0 0 "[ . 1 . 2]" 5
356 1 43 ILE MD 1 82 TRP HA 4.150 . 6.500 5.516 4.900 5.825 . 0 0 "[ . 1 . 2]" 5
357 1 84 LEU H 1 84 LEU HA 2.300 . 2.800 2.800 2.753 2.825 0.025 12 0 "[ . 1 . 2]" 5
358 1 82 TRP HA 1 83 LYS HA 3.650 . 5.500 4.815 4.736 4.893 . 0 0 "[ . 1 . 2]" 5
359 1 47 ILE HA 1 50 SER HA 4.150 . 6.500 5.898 5.438 6.250 . 0 0 "[ . 1 . 2]" 5
360 1 24 SER HA 1 24 SER HB2 2.300 . 2.800 2.574 2.509 2.635 . 0 0 "[ . 1 . 2]" 5
361 1 68 GLY HA2 1 69 ILE HA 3.650 . 5.500 4.366 4.311 4.422 . 0 0 "[ . 1 . 2]" 5
362 1 69 ILE HA 1 70 VAL HB 3.650 . 5.500 4.614 4.296 5.540 0.040 6 0 "[ . 1 . 2]" 5
363 1 24 SER HB3 1 48 ALA MB 2.750 . 3.700 2.593 2.135 3.131 . 0 0 "[ . 1 . 2]" 5
364 1 29 TYR H 1 30 ALA MB 3.650 . 5.500 4.842 4.603 4.965 . 0 0 "[ . 1 . 2]" 5
365 1 30 ALA MB 1 31 VAL H 2.750 . 3.700 3.172 2.982 3.304 . 0 0 "[ . 1 . 2]" 5
366 1 25 ALA MB 1 47 ILE H 3.650 . 5.500 4.383 4.126 4.609 . 0 0 "[ . 1 . 2]" 5
367 1 13 LEU MD1 1 14 LEU H 2.750 . 3.700 2.653 2.505 2.864 . 0 0 "[ . 1 . 2]" 5
368 1 60 GLU H 1 61 LEU MD1 4.150 . 6.500 5.746 5.552 6.001 . 0 0 "[ . 1 . 2]" 5
369 1 13 LEU MD1 1 65 VAL H 3.650 . 5.500 3.435 3.194 3.636 . 0 0 "[ . 1 . 2]" 5
370 1 13 LEU MD2 1 65 VAL H 3.650 . 5.500 2.935 2.625 3.196 . 0 0 "[ . 1 . 2]" 5
371 1 55 LEU H 1 56 LYS HG2 3.650 . 5.500 4.371 4.164 4.569 . 0 0 "[ . 1 . 2]" 5
372 1 83 LYS H 1 83 LYS HG2 3.650 . 5.500 4.159 2.915 4.569 . 0 0 "[ . 1 . 2]" 5
373 1 11 THR MG 1 69 ILE H 3.650 . 5.500 4.682 4.452 4.961 . 0 0 "[ . 1 . 2]" 5
374 1 11 THR MG 1 13 LEU H 3.650 . 5.500 5.147 4.962 5.386 . 0 0 "[ . 1 . 2]" 5
375 1 13 LEU MD1 1 64 SER H 3.650 . 5.500 5.440 5.281 5.527 0.027 6 0 "[ . 1 . 2]" 5
376 1 13 LEU MD2 1 14 LEU H 2.750 . 3.700 2.523 2.314 2.740 . 0 0 "[ . 1 . 2]" 5
377 1 13 LEU MD2 1 64 SER H 3.650 . 5.500 4.798 4.654 5.011 . 0 0 "[ . 1 . 2]" 5
378 1 15 PRO HB2 1 16 ILE HG12 4.150 . 6.500 6.104 5.572 6.451 . 0 0 "[ . 1 . 2]" 5
379 1 43 ILE HG13 1 78 LEU HB2 3.650 . 5.500 5.269 4.775 5.517 0.017 16 0 "[ . 1 . 2]" 5
380 1 79 THR MG 1 80 GLN HB2 3.650 . 5.500 4.946 4.817 5.105 . 0 0 "[ . 1 . 2]" 5
381 1 23 PRO HG2 1 25 ALA MB 3.650 . 5.500 4.857 4.431 5.118 . 0 0 "[ . 1 . 2]" 5
382 1 16 ILE HG12 1 62 CYS HB3 3.650 . 5.500 3.474 2.988 5.428 . 0 0 "[ . 1 . 2]" 5
383 1 16 ILE HG13 1 62 CYS HB3 3.650 . 5.500 2.323 1.803 4.621 . 0 0 "[ . 1 . 2]" 5
384 1 59 PRO HD2 1 62 CYS HB2 4.150 . 6.500 6.251 5.657 6.515 0.015 4 0 "[ . 1 . 2]" 5
385 1 86 ILE HA 1 86 ILE HG13 3.650 . 5.500 2.533 2.458 2.621 . 0 0 "[ . 1 . 2]" 5
386 1 86 ILE HA 1 86 ILE HG12 3.650 . 5.500 3.111 3.027 3.217 . 0 0 "[ . 1 . 2]" 5
387 1 18 GLU HB2 1 18 GLU HG3 2.750 . 3.700 2.406 2.325 2.461 . 0 0 "[ . 1 . 2]" 5
388 1 16 ILE HG12 1 62 CYS HB2 4.150 . 6.500 4.964 4.663 5.252 . 0 0 "[ . 1 . 2]" 5
389 1 45 ARG HG3 1 46 ASN HB2 4.150 . 6.500 4.906 3.010 6.304 . 0 0 "[ . 1 . 2]" 5
390 1 55 LEU MD2 1 55 LEU HG 2.300 . 2.800 2.134 2.121 2.141 . 0 0 "[ . 1 . 2]" 5
391 1 13 LEU MD1 1 15 PRO HG3 3.650 . 5.500 3.331 2.798 3.714 . 0 0 "[ . 1 . 2]" 5
392 1 16 ILE HG12 1 16 ILE MG 2.750 . 3.700 3.215 3.206 3.222 . 0 0 "[ . 1 . 2]" 5
393 1 43 ILE HG13 1 43 ILE MG 2.750 . 3.700 3.209 3.192 3.218 . 0 0 "[ . 1 . 2]" 5
394 1 43 ILE HG12 1 43 ILE MG 2.300 . 2.800 2.429 2.355 2.493 . 0 0 "[ . 1 . 2]" 5
395 1 69 ILE HB 1 69 ILE HG13 2.750 . 3.700 3.004 2.494 3.037 . 0 0 "[ . 1 . 2]" 5
396 1 41 VAL MG2 1 82 TRP HB2 3.650 . 5.500 4.624 4.224 4.984 . 0 0 "[ . 1 . 2]" 5
397 1 13 LEU MD1 1 15 PRO HG2 3.650 . 5.500 4.608 3.992 4.980 . 0 0 "[ . 1 . 2]" 5
398 1 13 LEU HB2 1 13 LEU HG 2.750 . 3.700 2.368 2.350 2.387 . 0 0 "[ . 1 . 2]" 5
399 1 55 LEU H 1 55 LEU MD2 3.650 . 5.500 3.590 3.412 3.991 . 0 0 "[ . 1 . 2]" 5
400 1 56 LYS HA 1 56 LYS HG2 2.750 . 3.700 3.127 2.998 3.249 . 0 0 "[ . 1 . 2]" 5
401 1 30 ALA MB 1 85 TRP HA 4.150 . 6.500 5.259 5.043 5.530 . 0 0 "[ . 1 . 2]" 5
402 1 30 ALA HA 1 41 VAL MG1 3.650 . 5.500 2.244 2.013 2.627 . 0 0 "[ . 1 . 2]" 5
403 1 30 ALA HA 1 38 LEU MD2 3.650 . 5.500 2.705 2.506 2.971 . 0 0 "[ . 1 . 2]" 5
404 1 55 LEU MD2 1 62 CYS HA 2.750 . 3.700 2.783 2.172 3.069 . 0 0 "[ . 1 . 2]" 5
405 1 25 ALA HA 1 25 ALA MB 2.300 . 2.800 2.131 2.109 2.143 . 0 0 "[ . 1 . 2]" 5
406 1 17 THR HB 1 17 THR MG 2.300 . 2.800 2.141 2.117 2.154 . 0 0 "[ . 1 . 2]" 5
407 1 38 LEU MD2 1 65 VAL HA 3.650 . 5.500 5.137 4.937 5.406 . 0 0 "[ . 1 . 2]" 5
408 1 13 LEU MD1 1 65 VAL HA 3.650 . 5.500 5.347 5.174 5.462 . 0 0 "[ . 1 . 2]" 5
409 1 13 LEU MD2 1 65 VAL HA 3.650 . 5.500 3.770 3.551 3.994 . 0 0 "[ . 1 . 2]" 5
410 1 30 ALA HA 1 41 VAL MG2 3.650 . 5.500 4.589 4.466 4.705 . 0 0 "[ . 1 . 2]" 5
411 1 41 VAL MG2 1 100 ASN HA 3.650 . 5.500 4.683 4.062 5.105 . 0 0 "[ . 1 . 2]" 5
412 1 55 LEU MD2 1 64 SER HA 4.150 . 6.500 6.434 5.586 6.545 0.045 7 0 "[ . 1 . 2]" 5
413 1 14 LEU HA 1 14 LEU MD2 2.750 . 3.700 3.022 2.744 3.137 . 0 0 "[ . 1 . 2]" 5
414 1 11 THR HA 1 11 THR MG 2.300 . 2.800 2.239 2.177 2.323 . 0 0 "[ . 1 . 2]" 5
415 1 91 LYS HA 1 91 LYS HG2 2.750 . 3.700 2.736 2.400 3.714 0.014 6 0 "[ . 1 . 2]" 5
416 1 83 LYS HA 1 83 LYS HG2 3.650 . 5.500 2.912 2.321 3.773 . 0 0 "[ . 1 . 2]" 5
417 1 25 ALA MB 1 26 SER HB2 3.650 . 5.500 4.421 4.091 4.549 . 0 0 "[ . 1 . 2]" 5
418 1 25 ALA MB 1 27 GLY HA3 3.650 . 5.500 4.838 4.487 5.086 . 0 0 "[ . 1 . 2]" 5
419 1 11 THR HB 1 30 ALA MB 3.650 . 5.500 4.799 4.477 5.141 . 0 0 "[ . 1 . 2]" 5
420 1 30 ALA MB 1 86 ILE HA 4.150 . 6.500 5.577 5.100 5.891 . 0 0 "[ . 1 . 2]" 5
421 1 13 LEU HA 1 13 LEU MD1 2.750 . 3.700 3.111 3.032 3.210 . 0 0 "[ . 1 . 2]" 5
422 1 13 LEU HA 1 13 LEU MD2 2.750 . 3.700 2.149 2.104 2.208 . 0 0 "[ . 1 . 2]" 5
423 1 61 LEU HA 1 61 LEU MD1 3.650 . 5.500 3.824 3.781 3.871 . 0 0 "[ . 1 . 2]" 5
424 1 13 LEU MD1 1 15 PRO HA 3.650 . 5.500 3.460 3.249 3.753 . 0 0 "[ . 1 . 2]" 5
425 1 38 LEU MD1 1 40 PHE HA 3.650 . 5.500 3.922 3.576 4.274 . 0 0 "[ . 1 . 2]" 5
426 1 38 LEU MD1 1 39 GLN HA 2.750 . 3.700 3.038 2.719 3.337 . 0 0 "[ . 1 . 2]" 5
427 1 41 VAL HA 1 41 VAL MG1 2.750 . 3.700 2.343 2.286 2.411 . 0 0 "[ . 1 . 2]" 5
428 1 13 LEU MD2 1 15 PRO HA 3.650 . 5.500 4.704 4.399 4.969 . 0 0 "[ . 1 . 2]" 5
429 1 30 ALA MB 1 65 VAL HA 3.650 . 5.500 4.318 4.024 4.525 . 0 0 "[ . 1 . 2]" 5
430 1 38 LEU MD1 1 86 ILE H 3.650 . 5.500 4.855 4.122 5.435 . 0 0 "[ . 1 . 2]" 5
431 1 82 TRP HZ3 1 83 LYS HG3 3.650 . 5.500 4.060 3.314 5.509 0.009 18 0 "[ . 1 . 2]" 5
432 1 38 LEU MD1 1 90 ILE H 3.650 . 5.500 4.628 4.323 4.968 . 0 0 "[ . 1 . 2]" 5
433 1 25 ALA MB 1 48 ALA H 4.150 . 6.500 5.367 5.084 5.542 . 0 0 "[ . 1 . 2]" 5
434 1 56 LYS H 1 56 LYS HG2 2.750 . 3.700 2.529 2.272 2.713 . 0 0 "[ . 1 . 2]" 5
435 1 13 LEU H 1 13 LEU MD2 3.650 . 5.500 4.269 4.214 4.330 . 0 0 "[ . 1 . 2]" 5
436 1 13 LEU MD1 1 16 ILE H 4.150 . 6.500 5.189 4.929 5.374 . 0 0 "[ . 1 . 2]" 5
437 1 112 LEU H 1 112 LEU MD2 2.750 . 3.700 2.567 1.837 3.510 . 0 0 "[ . 1 . 2]" 5
438 1 13 LEU H 1 13 LEU MD1 3.650 . 5.500 4.133 4.073 4.173 . 0 0 "[ . 1 . 2]" 5
439 1 41 VAL MG1 1 85 TRP H 3.650 . 5.500 4.893 4.467 5.251 . 0 0 "[ . 1 . 2]" 5
440 1 13 LEU MD2 1 16 ILE H 4.150 . 6.500 5.958 5.776 6.125 . 0 0 "[ . 1 . 2]" 5
441 1 41 VAL MG1 1 100 ASN HD21 3.650 . 5.500 4.966 3.799 5.586 0.086 16 0 "[ . 1 . 2]" 5
442 1 30 ALA MB 1 32 TYR QD 2.750 . 3.700 3.397 3.049 3.688 . 0 0 "[ . 1 . 2]" 5
443 1 8 LEU MD1 1 85 TRP HD1 4.150 . 6.500 4.967 4.241 6.289 . 0 0 "[ . 1 . 2]" 5
444 1 55 LEU MD2 1 62 CYS H 3.650 . 5.500 3.717 3.336 3.970 . 0 0 "[ . 1 . 2]" 5
445 1 41 VAL MG2 1 82 TRP HD1 2.750 . 3.700 3.056 2.653 3.367 . 0 0 "[ . 1 . 2]" 5
446 1 14 LEU MD2 1 22 ILE H 4.150 . 6.500 6.305 5.768 6.534 0.034 2 0 "[ . 1 . 2]" 5
447 1 25 ALA MB 1 46 ASN HD21 4.150 . 6.500 6.072 5.143 6.657 0.157 20 0 "[ . 1 . 2]" 5
448 1 74 ASP H 1 77 VAL MG2 3.650 . 5.500 3.351 2.171 4.309 . 0 0 "[ . 1 . 2]" 5
449 1 41 VAL MG2 1 82 TRP HZ2 2.750 . 3.700 3.452 2.926 3.705 0.005 15 0 "[ . 1 . 2]" 5
450 1 73 PRO HB3 1 74 ASP H 3.650 . 5.500 4.587 4.515 4.641 . 0 0 "[ . 1 . 2]" 5
451 1 74 ASP H 1 77 VAL HB 3.650 . 5.500 3.735 2.894 5.402 . 0 0 "[ . 1 . 2]" 5
452 1 23 PRO HB2 1 25 ALA H 3.650 . 5.500 3.128 2.761 3.688 . 0 0 "[ . 1 . 2]" 5
453 1 30 ALA HA 1 41 VAL HB 3.650 . 5.500 3.779 3.460 3.979 . 0 0 "[ . 1 . 2]" 5
454 1 83 LYS H 1 83 LYS HB3 2.750 . 3.700 2.807 2.393 3.624 . 0 0 "[ . 1 . 2]" 5
455 1 80 GLN HG3 1 83 LYS H 4.150 . 6.500 5.708 5.459 5.974 . 0 0 "[ . 1 . 2]" 5
456 1 80 GLN H 1 80 GLN HG3 3.650 . 5.500 4.376 4.264 4.425 . 0 0 "[ . 1 . 2]" 5
457 1 91 LYS H 1 92 VAL HB 4.150 . 6.500 5.841 5.054 6.510 0.010 16 0 "[ . 1 . 2]" 5
458 1 108 VAL HA 1 108 VAL HB 2.750 . 3.700 2.709 2.451 3.054 . 0 0 "[ . 1 . 2]" 5
459 1 110 VAL HA 1 110 VAL HB 2.750 . 3.700 2.697 2.410 3.053 . 0 0 "[ . 1 . 2]" 5
460 1 77 VAL HA 1 80 GLN HG3 3.650 . 5.500 4.885 4.440 5.178 . 0 0 "[ . 1 . 2]" 5
461 1 23 PRO HB3 1 23 PRO HD2 3.650 . 5.500 3.881 3.848 3.903 . 0 0 "[ . 1 . 2]" 5
462 1 77 VAL HA 1 80 GLN HG2 3.650 . 5.500 4.576 4.164 4.831 . 0 0 "[ . 1 . 2]" 5
463 1 80 GLN HA 1 80 GLN HG3 2.750 . 3.700 2.572 2.473 2.697 . 0 0 "[ . 1 . 2]" 5
464 1 14 LEU HA 1 15 PRO HB2 3.650 . 5.500 5.108 4.902 5.351 . 0 0 "[ . 1 . 2]" 5
465 1 15 PRO HB3 1 64 SER HA 3.650 . 5.500 4.624 4.038 5.037 . 0 0 "[ . 1 . 2]" 5
466 1 98 PRO HA 1 98 PRO HB3 2.750 . 3.700 2.300 2.236 2.327 . 0 0 "[ . 1 . 2]" 5
467 1 23 PRO HA 1 23 PRO HB3 2.750 . 3.700 2.314 2.297 2.334 . 0 0 "[ . 1 . 2]" 5
468 1 23 PRO HB3 1 24 SER HA 3.650 . 5.500 5.255 5.115 5.346 . 0 0 "[ . 1 . 2]" 5
469 1 80 GLN HG2 1 83 LYS H 4.150 . 6.500 5.409 5.227 5.639 . 0 0 "[ . 1 . 2]" 5
470 1 83 LYS HA 1 87 GLU HG3 4.150 . 6.500 3.674 2.687 4.382 . 0 0 "[ . 1 . 2]" 5
471 1 87 GLU HA 1 87 GLU HG2 3.650 . 5.500 2.441 2.292 2.874 . 0 0 "[ . 1 . 2]" 5
472 1 86 ILE HB 1 87 GLU HG3 4.150 . 6.500 5.602 5.154 6.590 0.090 16 0 "[ . 1 . 2]" 5
473 1 36 ASP HA 1 36 ASP HB3 2.750 . 3.700 2.854 2.519 3.058 . 0 0 "[ . 1 . 2]" 5
474 1 36 ASP HA 1 36 ASP HB2 2.750 . 3.700 2.712 2.438 3.037 . 0 0 "[ . 1 . 2]" 5
475 1 85 TRP HA 1 88 GLU HG2 3.650 . 5.500 3.061 2.186 5.164 . 0 0 "[ . 1 . 2]" 5
476 1 69 ILE HB 1 70 VAL HA 3.650 . 5.500 4.883 4.668 5.099 . 0 0 "[ . 1 . 2]" 5
477 1 86 ILE HB 1 86 ILE HG12 2.750 . 3.700 3.019 3.009 3.028 . 0 0 "[ . 1 . 2]" 5
478 1 28 VAL HB 1 43 ILE MD 4.150 . 6.500 5.729 4.799 6.611 0.111 19 0 "[ . 1 . 2]" 5
479 1 41 VAL MG2 1 86 ILE HB 2.750 . 3.700 1.911 1.819 2.084 . 0 0 "[ . 1 . 2]" 5
480 1 14 LEU HB3 1 18 GLU HG2 3.650 . 5.500 4.459 3.278 5.524 0.024 19 0 "[ . 1 . 2]" 5
481 1 17 THR MG 1 18 GLU HG2 3.650 . 5.500 3.897 2.154 5.381 . 0 0 "[ . 1 . 2]" 5
482 1 46 ASN HB2 1 49 ALA MB 3.650 . 5.500 3.996 3.663 4.621 . 0 0 "[ . 1 . 2]" 5
483 1 46 ASN HB3 1 49 ALA MB 3.650 . 5.500 2.683 2.271 3.526 . 0 0 "[ . 1 . 2]" 5
484 1 41 VAL HB 1 86 ILE HB 3.650 . 5.500 4.331 3.927 4.650 . 0 0 "[ . 1 . 2]" 5
485 1 8 LEU HB3 1 88 GLU HG2 4.150 . 6.500 5.577 3.397 6.550 0.050 15 0 "[ . 1 . 2]" 5
486 1 47 ILE HB 1 48 ALA MB 3.650 . 5.500 3.958 3.880 4.055 . 0 0 "[ . 1 . 2]" 5
487 1 11 THR MG 1 66 LYS QB 3.650 . 5.500 1.849 1.750 2.118 0.050 20 0 "[ . 1 . 2]" 5
488 1 23 PRO HB2 1 23 PRO HD2 3.650 . 5.500 2.885 2.816 2.949 . 0 0 "[ . 1 . 2]" 5
489 1 72 GLU HA 1 72 GLU HB3 2.300 . 2.800 2.441 2.352 2.506 . 0 0 "[ . 1 . 2]" 5
490 1 72 GLU HA 1 72 GLU HB2 2.750 . 3.700 2.871 2.491 3.049 . 0 0 "[ . 1 . 2]" 5
491 1 14 LEU HA 1 15 PRO HG2 3.650 . 5.500 4.459 4.405 4.520 . 0 0 "[ . 1 . 2]" 5
492 1 18 GLU HA 1 18 GLU HB2 2.750 . 3.700 2.591 2.471 3.027 . 0 0 "[ . 1 . 2]" 5
493 1 15 PRO HA 1 16 ILE HG12 4.150 . 6.500 5.884 5.582 6.156 . 0 0 "[ . 1 . 2]" 5
494 1 98 PRO HA 1 101 LYS HD3 2.300 . 2.800 2.345 1.913 2.853 0.053 12 0 "[ . 1 . 2]" 5
495 1 18 GLU HA 1 18 GLU HB3 2.750 . 3.700 2.397 2.344 2.494 . 0 0 "[ . 1 . 2]" 5
496 1 95 LYS HA 1 95 LYS HD3 3.650 . 5.500 2.717 1.921 4.649 . 0 0 "[ . 1 . 2]" 5
497 1 73 PRO HG3 1 74 ASP H 3.650 . 5.500 5.070 4.771 5.377 . 0 0 "[ . 1 . 2]" 5
498 1 16 ILE HG12 1 17 THR H 3.650 . 5.500 3.339 3.073 3.649 . 0 0 "[ . 1 . 2]" 5
499 1 86 ILE H 1 86 ILE HG12 3.650 . 5.500 4.527 4.494 4.577 . 0 0 "[ . 1 . 2]" 5
500 1 47 ILE HG12 1 48 ALA H 3.650 . 5.500 4.911 4.854 4.969 . 0 0 "[ . 1 . 2]" 5
501 1 22 ILE H 1 22 ILE HG13 3.650 . 5.500 3.655 3.586 3.732 . 0 0 "[ . 1 . 2]" 5
502 1 14 LEU HA 1 15 PRO HG3 3.650 . 5.500 4.110 3.966 4.240 . 0 0 "[ . 1 . 2]" 5
503 1 22 ILE H 1 22 ILE HG12 3.650 . 5.500 2.138 2.065 2.234 . 0 0 "[ . 1 . 2]" 5
504 1 55 LEU HG 1 56 LYS H 3.650 . 5.500 4.701 4.584 4.977 . 0 0 "[ . 1 . 2]" 5
505 1 84 LEU HA 1 84 LEU HG 2.750 . 3.700 3.060 2.469 3.735 0.035 1 0 "[ . 1 . 2]" 5
506 1 16 ILE HA 1 16 ILE HG12 3.650 . 5.500 3.720 3.675 3.747 . 0 0 "[ . 1 . 2]" 5
507 1 16 ILE HA 1 16 ILE HG13 3.650 . 5.500 4.290 4.262 4.307 . 0 0 "[ . 1 . 2]" 5
508 1 86 ILE HG12 1 87 GLU HA 3.650 . 5.500 3.666 3.465 3.868 . 0 0 "[ . 1 . 2]" 5
509 1 69 ILE HA 1 69 ILE HG12 3.650 . 5.500 3.696 3.201 3.753 . 0 0 "[ . 1 . 2]" 5
510 1 55 LEU HA 1 55 LEU HG 2.750 . 3.700 3.107 2.966 3.742 0.042 10 0 "[ . 1 . 2]" 5
511 1 68 GLY HA2 1 69 ILE HG12 4.150 . 6.500 5.895 4.387 6.065 . 0 0 "[ . 1 . 2]" 5
512 1 45 ARG HA 1 45 ARG HG2 3.650 . 5.500 3.305 2.397 4.290 . 0 0 "[ . 1 . 2]" 5
513 1 16 ILE HG12 1 17 THR HA 3.650 . 5.500 3.376 3.128 3.577 . 0 0 "[ . 1 . 2]" 5
514 1 16 ILE HG12 1 17 THR HB 3.650 . 5.500 4.732 3.609 5.522 0.022 16 0 "[ . 1 . 2]" 5
515 1 15 PRO HA 1 16 ILE HG13 4.150 . 6.500 6.180 5.995 6.355 . 0 0 "[ . 1 . 2]" 5
516 1 69 ILE HA 1 69 ILE HG13 3.650 . 5.500 2.557 2.433 3.745 . 0 0 "[ . 1 . 2]" 5
517 1 45 ARG HA 1 45 ARG HG3 3.650 . 5.500 3.371 2.562 3.786 . 0 0 "[ . 1 . 2]" 5
518 1 112 LEU HA 1 112 LEU HG 3.650 . 5.500 3.640 3.092 4.312 . 0 0 "[ . 1 . 2]" 5
519 1 38 LEU MD2 1 41 VAL HB 3.650 . 5.500 4.309 4.186 4.440 . 0 0 "[ . 1 . 2]" 5
520 1 83 LYS HB2 1 86 ILE MG 3.650 . 5.500 4.253 4.009 4.659 . 0 0 "[ . 1 . 2]" 5
521 1 41 VAL HB 1 86 ILE MG 3.650 . 5.500 5.093 4.546 5.494 . 0 0 "[ . 1 . 2]" 5
522 1 98 PRO HG3 1 99 GLY H 3.650 . 5.500 4.651 4.459 4.838 . 0 0 "[ . 1 . 2]" 5
523 1 23 PRO HG3 1 24 SER H 3.650 . 5.500 4.881 4.767 5.005 . 0 0 "[ . 1 . 2]" 5
524 1 16 ILE HG13 1 63 GLY H 3.650 . 5.500 3.705 2.774 4.286 . 0 0 "[ . 1 . 2]" 5
525 1 98 PRO HG2 1 99 GLY H 3.650 . 5.500 4.068 3.034 4.441 . 0 0 "[ . 1 . 2]" 5
526 1 15 PRO HB2 1 15 PRO HG2 2.300 . 2.800 2.332 2.289 2.391 . 0 0 "[ . 1 . 2]" 5
527 1 23 PRO HB3 1 25 ALA MB 3.650 . 5.500 3.212 2.895 3.547 . 0 0 "[ . 1 . 2]" 5
528 1 16 ILE H 1 16 ILE HG12 3.650 . 5.500 3.645 3.426 3.872 . 0 0 "[ . 1 . 2]" 5
529 1 55 LEU H 1 55 LEU HG 3.650 . 5.500 2.786 2.579 4.526 . 0 0 "[ . 1 . 2]" 5
530 1 76 ALA H 1 78 LEU HG 3.650 . 5.500 5.136 4.957 5.404 . 0 0 "[ . 1 . 2]" 5
531 1 13 LEU H 1 13 LEU HG 3.650 . 5.500 4.757 4.698 4.830 . 0 0 "[ . 1 . 2]" 5
532 1 112 LEU H 1 112 LEU HG 3.650 . 5.500 3.632 1.931 4.853 . 0 0 "[ . 1 . 2]" 5
533 1 16 ILE H 1 16 ILE HG13 3.650 . 5.500 3.965 3.844 4.102 . 0 0 "[ . 1 . 2]" 5
534 1 99 GLY H 1 101 LYS HD3 3.650 . 5.500 5.178 4.817 5.599 0.099 16 0 "[ . 1 . 2]" 5
535 1 45 ARG H 1 45 ARG HG2 3.650 . 5.500 4.164 2.452 4.704 . 0 0 "[ . 1 . 2]" 5
536 1 87 GLU H 1 87 GLU HB3 3.650 . 5.500 3.604 3.432 3.651 . 0 0 "[ . 1 . 2]" 5
537 1 80 GLN H 1 80 GLN HB3 2.750 . 3.700 2.475 2.311 2.615 . 0 0 "[ . 1 . 2]" 5
538 1 80 GLN H 1 80 GLN HB2 2.750 . 3.700 2.441 2.278 2.512 . 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 75
_Distance_constraint_stats_list.Viol_count 40
_Distance_constraint_stats_list.Viol_total 16.966
_Distance_constraint_stats_list.Viol_max 0.123
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0212
_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 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 0.065 0.019 14 0 "[ . 1 . 2]"
1 30 ALA 0.305 0.035 11 0 "[ . 1 . 2]"
1 31 VAL 0.113 0.025 1 0 "[ . 1 . 2]"
1 32 TYR 0.041 0.025 1 0 "[ . 1 . 2]"
1 33 ASP 0.041 0.025 1 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.305 0.035 11 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.008 0.008 10 0 "[ . 1 . 2]"
1 54 HIS 0.129 0.026 5 0 "[ . 1 . 2]"
1 55 LEU 0.008 0.008 10 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TRP 0.305 0.035 11 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 HIS 0.301 0.123 5 0 "[ . 1 . 2]"
1 92 VAL 0.301 0.123 5 0 "[ . 1 . 2]"
1 93 THR 0.301 0.123 5 0 "[ . 1 . 2]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PHE 0.128 0.026 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 TYR QD 1 65 VAL QG 2.300 . 2.800 2.654 2.506 2.787 . 0 0 "[ . 1 . 2]" 6
2 1 25 ALA MB 1 29 TYR QD 3.650 . 5.500 4.834 4.686 5.029 . 0 0 "[ . 1 . 2]" 6
3 1 29 TYR H 1 29 TYR QE 3.650 . 5.500 3.967 3.844 4.110 . 0 0 "[ . 1 . 2]" 6
4 1 29 TYR QE 1 43 ILE HG13 2.750 . 3.700 3.103 2.918 3.450 . 0 0 "[ . 1 . 2]" 6
5 1 32 TYR HB2 1 32 TYR QE 3.650 . 5.500 4.254 4.080 4.353 . 0 0 "[ . 1 . 2]" 6
6 1 29 TYR QD 1 47 ILE MD 2.300 . 2.800 2.457 2.261 2.682 . 0 0 "[ . 1 . 2]" 6
7 1 32 TYR QD 1 37 GLU QG 3.650 . 5.500 4.478 4.124 4.727 . 0 0 "[ . 1 . 2]" 6
8 1 30 ALA MB 1 32 TYR QD 2.750 . 3.700 3.280 2.984 3.509 . 0 0 "[ . 1 . 2]" 6
9 1 55 LEU MD2 1 107 PHE QE 3.650 . 5.500 2.397 2.030 2.902 . 0 0 "[ . 1 . 2]" 6
10 1 37 GLU QB 1 89 HIS HE1 3.650 . 5.500 4.097 2.145 5.373 . 0 0 "[ . 1 . 2]" 6
11 1 8 LEU HB3 1 32 TYR QE 3.650 . 5.500 4.152 3.566 5.131 . 0 0 "[ . 1 . 2]" 6
12 1 8 LEU MD1 1 32 TYR QE 2.750 . 3.700 3.181 2.697 3.469 . 0 0 "[ . 1 . 2]" 6
13 1 31 VAL H 1 32 TYR QD 3.650 . 5.500 3.856 3.743 4.008 . 0 0 "[ . 1 . 2]" 6
14 1 58 VAL HB 1 107 PHE QE 3.650 . 5.500 3.563 2.290 4.950 . 0 0 "[ . 1 . 2]" 6
15 1 61 LEU MD1 1 107 PHE QD 3.650 . 5.500 3.357 2.350 4.293 . 0 0 "[ . 1 . 2]" 6
16 1 29 TYR QD 1 31 VAL QG 2.300 . 2.800 2.216 2.103 2.377 . 0 0 "[ . 1 . 2]" 6
17 1 29 TYR QD 1 31 VAL HB 3.650 . 5.500 4.296 4.191 4.422 . 0 0 "[ . 1 . 2]" 6
18 1 31 VAL HA 1 32 TYR QD 2.750 . 3.700 3.439 3.136 3.725 0.025 1 0 "[ . 1 . 2]" 6
19 1 13 LEU QD 1 32 TYR QD 2.750 . 3.700 3.405 3.003 3.674 . 0 0 "[ . 1 . 2]" 6
20 1 32 TYR QD 1 65 VAL QG 3.650 . 5.500 4.137 4.003 4.312 . 0 0 "[ . 1 . 2]" 6
21 1 13 LEU HA 1 32 TYR QD 4.150 . 6.500 3.129 2.460 3.742 . 0 0 "[ . 1 . 2]" 6
22 1 29 TYR QD 1 41 VAL MG2 3.650 . 5.500 4.908 4.678 5.036 . 0 0 "[ . 1 . 2]" 6
23 1 29 TYR QE 1 31 VAL QG 2.750 . 3.700 2.284 2.090 2.400 . 0 0 "[ . 1 . 2]" 6
24 1 31 VAL HB 1 32 TYR QD 3.650 . 5.500 3.712 3.378 4.121 . 0 0 "[ . 1 . 2]" 6
25 1 40 PHE QE 1 54 HIS HE1 3.650 . 5.500 3.542 3.076 4.462 . 0 0 "[ . 1 . 2]" 6
26 1 84 LEU QD 1 85 TRP HD1 3.650 . 5.500 3.931 3.449 4.315 . 0 0 "[ . 1 . 2]" 6
27 1 84 LEU QB 1 85 TRP HD1 2.750 . 3.700 2.555 2.196 2.891 . 0 0 "[ . 1 . 2]" 6
28 1 5 VAL QG 1 85 TRP HD1 3.650 . 5.500 3.612 3.071 4.658 . 0 0 "[ . 1 . 2]" 6
29 1 42 GLY H 1 54 HIS HE1 3.650 . 5.500 4.583 4.375 4.960 . 0 0 "[ . 1 . 2]" 6
30 1 31 VAL QG 1 107 PHE HZ 3.650 . 5.500 4.718 3.641 5.507 0.007 5 0 "[ . 1 . 2]" 6
31 1 82 TRP HE3 1 83 LYS QD 3.650 . 5.500 3.696 2.117 4.756 . 0 0 "[ . 1 . 2]" 6
32 1 29 TYR QE 1 54 HIS HE1 3.650 . 5.500 2.572 2.313 3.548 . 0 0 "[ . 1 . 2]" 6
33 1 54 HIS HE1 1 107 PHE QE 3.650 . 5.500 4.954 3.401 5.526 0.026 5 0 "[ . 1 . 2]" 6
34 1 82 TRP HB3 1 82 TRP HE3 2.750 . 3.700 2.317 2.232 2.406 . 0 0 "[ . 1 . 2]" 6
35 1 25 ALA MB 1 85 TRP HH2 3.650 . 5.500 4.353 4.007 4.706 . 0 0 "[ . 1 . 2]" 6
36 1 82 TRP HZ2 1 86 ILE MD 2.750 . 3.700 3.233 2.767 3.459 . 0 0 "[ . 1 . 2]" 6
37 1 82 TRP HE3 1 83 LYS QB 3.650 . 5.500 2.945 2.343 3.851 . 0 0 "[ . 1 . 2]" 6
38 1 32 TYR QD 1 89 HIS HE1 3.650 . 5.500 4.180 3.550 4.903 . 0 0 "[ . 1 . 2]" 6
39 1 29 TYR HB3 1 29 TYR QD 2.750 . 3.700 2.397 2.369 2.419 . 0 0 "[ . 1 . 2]" 6
40 1 82 TRP HH2 1 86 ILE MD 3.650 . 5.500 3.011 2.538 3.277 . 0 0 "[ . 1 . 2]" 6
41 1 41 VAL MG2 1 82 TRP HD1 2.300 . 2.800 2.336 2.140 2.514 . 0 0 "[ . 1 . 2]" 6
42 1 30 ALA MB 1 82 TRP HD1 2.750 . 3.700 3.619 3.087 3.735 0.035 11 0 "[ . 1 . 2]" 6
43 1 28 VAL QG 1 82 TRP HD1 2.750 . 3.700 3.034 2.575 3.600 . 0 0 "[ . 1 . 2]" 6
44 1 30 ALA MB 1 32 TYR QE 2.300 . 2.800 2.277 2.007 2.795 . 0 0 "[ . 1 . 2]" 6
45 1 32 TYR QE 1 66 LYS HA 3.650 . 5.500 4.806 4.362 5.457 . 0 0 "[ . 1 . 2]" 6
46 1 31 VAL HA 1 32 TYR QE 3.650 . 5.500 5.151 4.851 5.496 . 0 0 "[ . 1 . 2]" 6
47 1 29 TYR QE 1 31 VAL HA 3.650 . 5.500 5.409 5.068 5.519 0.019 14 0 "[ . 1 . 2]" 6
48 1 32 TYR QE 1 38 LEU HB3 3.650 . 5.500 3.869 3.552 4.495 . 0 0 "[ . 1 . 2]" 6
49 1 30 ALA H 1 32 TYR QE 3.650 . 5.500 4.202 3.915 4.416 . 0 0 "[ . 1 . 2]" 6
50 1 8 LEU HB3 1 85 TRP HE3 4.150 . 6.500 4.999 4.509 5.374 . 0 0 "[ . 1 . 2]" 6
51 1 29 TYR H 1 85 TRP HE3 3.650 . 5.500 4.113 3.851 4.335 . 0 0 "[ . 1 . 2]" 6
52 1 29 TYR HB2 1 29 TYR QD 2.300 . 2.800 2.397 2.367 2.432 . 0 0 "[ . 1 . 2]" 6
53 1 32 TYR HB2 1 32 TYR QD 2.300 . 2.800 2.513 2.398 2.704 . 0 0 "[ . 1 . 2]" 6
54 1 29 TYR QD 1 47 ILE HG12 3.650 . 5.500 2.662 2.439 2.873 . 0 0 "[ . 1 . 2]" 6
55 1 29 TYR QD 1 43 ILE HA 3.650 . 5.500 3.774 3.409 4.036 . 0 0 "[ . 1 . 2]" 6
56 1 29 TYR QD 1 31 VAL HA 3.650 . 5.500 4.116 3.938 4.263 . 0 0 "[ . 1 . 2]" 6
57 1 29 TYR QD 1 44 SER HB3 3.650 . 5.500 4.371 3.054 5.203 . 0 0 "[ . 1 . 2]" 6
58 1 32 TYR HB3 1 32 TYR QD 2.300 . 2.800 2.288 2.200 2.394 . 0 0 "[ . 1 . 2]" 6
59 1 32 TYR HA 1 32 TYR QD 2.750 . 3.700 3.079 2.903 3.246 . 0 0 "[ . 1 . 2]" 6
60 1 32 TYR QD 1 38 LEU HB3 3.650 . 5.500 4.628 4.240 5.135 . 0 0 "[ . 1 . 2]" 6
61 1 8 LEU HB2 1 89 HIS HE1 3.650 . 5.500 3.661 2.984 4.455 . 0 0 "[ . 1 . 2]" 6
62 1 31 VAL QG 1 54 HIS HE1 2.750 . 3.700 2.046 1.889 2.222 . 0 0 "[ . 1 . 2]" 6
63 1 54 HIS HE1 1 65 VAL QG 3.650 . 5.500 4.684 4.385 5.269 . 0 0 "[ . 1 . 2]" 6
64 1 32 TYR QE 1 89 HIS HE1 3.650 . 5.500 2.800 2.067 4.282 . 0 0 "[ . 1 . 2]" 6
65 1 54 HIS HE1 1 107 PHE QD 3.650 . 5.500 3.990 3.324 5.123 . 0 0 "[ . 1 . 2]" 6
66 1 54 HIS HE1 1 55 LEU HA 3.650 . 5.500 4.804 4.078 5.286 . 0 0 "[ . 1 . 2]" 6
67 1 51 VAL MG1 1 54 HIS HE1 2.750 . 3.700 2.992 2.625 3.708 0.008 10 0 "[ . 1 . 2]" 6
68 1 29 TYR H 1 29 TYR QD 2.750 . 3.700 3.071 2.955 3.196 . 0 0 "[ . 1 . 2]" 6
69 1 28 VAL HA 1 29 TYR QD 3.650 . 5.500 3.674 3.475 3.940 . 0 0 "[ . 1 . 2]" 6
70 1 89 HIS HE1 1 92 VAL MG2 2.750 . 3.700 3.443 2.411 3.823 0.123 5 0 "[ . 1 . 2]" 6
71 1 8 LEU HB3 1 89 HIS HE1 4.150 . 6.500 4.562 4.095 5.618 . 0 0 "[ . 1 . 2]" 6
72 1 29 TYR QD 1 66 LYS H 3.650 . 5.500 5.063 4.852 5.245 . 0 0 "[ . 1 . 2]" 6
73 1 82 TRP HA 1 82 TRP HD1 2.750 . 3.700 3.090 3.017 3.162 . 0 0 "[ . 1 . 2]" 6
74 1 42 GLY H 1 82 TRP HD1 3.650 . 5.500 3.518 3.381 3.716 . 0 0 "[ . 1 . 2]" 6
75 1 41 VAL HA 1 82 TRP HD1 3.650 . 5.500 2.619 2.384 2.911 . 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 74
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 50.362
_Distance_constraint_stats_list.Viol_max 0.083
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0293
_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 12 GLU 0.423 0.062 18 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.725 0.067 1 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 0.725 0.067 1 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.015 0.015 3 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 SER 0.042 0.020 1 0 "[ . 1 . 2]"
1 53 ALA 0.292 0.046 14 0 "[ . 1 . 2]"
1 54 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.042 0.020 1 0 "[ . 1 . 2]"
1 57 SER 0.276 0.046 14 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.423 0.062 18 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.011 0.011 10 0 "[ . 1 . 2]"
1 84 LEU 0.001 0.001 13 0 "[ . 1 . 2]"
1 85 TRP 0.910 0.083 15 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.011 0.011 10 0 "[ . 1 . 2]"
1 88 GLU 0.110 0.047 6 0 "[ . 1 . 2]"
1 89 HIS 0.916 0.083 15 0 "[ . 1 . 2]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 VAL 0.110 0.047 6 0 "[ . 1 . 2]"
1 93 THR 0.006 0.006 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 47 ILE O 1 51 VAL H 2.000 . 2.500 1.837 1.741 1.976 . 0 0 "[ . 1 . 2]" 7
2 1 47 ILE O 1 51 VAL N 3.000 2.500 3.500 2.815 2.719 2.955 . 0 0 "[ . 1 . 2]" 7
3 1 48 ALA O 1 52 SER H 2.000 . 2.500 1.980 1.835 2.321 . 0 0 "[ . 1 . 2]" 7
4 1 48 ALA O 1 52 SER N 3.000 2.500 3.500 2.946 2.812 3.259 . 0 0 "[ . 1 . 2]" 7
5 1 49 ALA O 1 53 ALA H 2.000 . 2.500 2.119 1.880 2.515 0.015 3 0 "[ . 1 . 2]" 7
6 1 49 ALA O 1 53 ALA N 3.000 2.500 3.500 3.024 2.806 3.406 . 0 0 "[ . 1 . 2]" 7
7 1 50 SER O 1 54 HIS H 2.000 . 2.500 2.161 1.909 2.463 . 0 0 "[ . 1 . 2]" 7
8 1 50 SER O 1 54 HIS N 3.000 2.500 3.500 3.140 2.884 3.442 . 0 0 "[ . 1 . 2]" 7
9 1 51 VAL O 1 55 LEU H 2.000 . 2.500 2.105 1.985 2.215 . 0 0 "[ . 1 . 2]" 7
10 1 51 VAL O 1 55 LEU N 3.000 2.500 3.500 3.002 2.900 3.101 . 0 0 "[ . 1 . 2]" 7
11 1 52 SER O 1 56 LYS H 2.000 . 2.500 2.147 1.856 2.520 0.020 1 0 "[ . 1 . 2]" 7
12 1 52 SER O 1 56 LYS N 3.000 2.500 3.500 3.039 2.798 3.376 . 0 0 "[ . 1 . 2]" 7
13 1 53 ALA O 1 57 SER H 2.000 . 2.500 2.454 2.108 2.546 0.046 14 0 "[ . 1 . 2]" 7
14 1 53 ALA O 1 57 SER N 3.000 2.500 3.500 3.165 2.947 3.306 . 0 0 "[ . 1 . 2]" 7
15 1 75 LYS O 1 79 THR H 2.000 . 2.500 2.049 1.865 2.329 . 0 0 "[ . 1 . 2]" 7
16 1 75 LYS O 1 79 THR N 3.000 2.500 3.500 2.988 2.795 3.248 . 0 0 "[ . 1 . 2]" 7
17 1 76 ALA O 1 80 GLN H 2.000 . 2.500 1.918 1.750 2.186 . 0 0 "[ . 1 . 2]" 7
18 1 76 ALA O 1 80 GLN N 3.000 2.500 3.500 2.786 2.669 2.997 . 0 0 "[ . 1 . 2]" 7
19 1 77 VAL O 1 81 ALA H 2.000 . 2.500 1.938 1.783 2.246 . 0 0 "[ . 1 . 2]" 7
20 1 77 VAL O 1 81 ALA N 3.000 2.500 3.500 2.905 2.743 3.216 . 0 0 "[ . 1 . 2]" 7
21 1 78 LEU O 1 82 TRP H 2.000 . 2.500 1.979 1.896 2.054 . 0 0 "[ . 1 . 2]" 7
22 1 78 LEU O 1 82 TRP N 3.000 2.500 3.500 2.925 2.834 2.998 . 0 0 "[ . 1 . 2]" 7
23 1 79 THR O 1 83 LYS H 2.000 . 2.500 1.953 1.820 2.158 . 0 0 "[ . 1 . 2]" 7
24 1 79 THR O 1 83 LYS N 3.000 2.500 3.500 2.851 2.740 3.059 . 0 0 "[ . 1 . 2]" 7
25 1 80 GLN O 1 84 LEU H 2.000 . 2.500 2.035 1.904 2.242 . 0 0 "[ . 1 . 2]" 7
26 1 80 GLN O 1 84 LEU N 3.000 2.500 3.500 2.980 2.874 3.182 . 0 0 "[ . 1 . 2]" 7
27 1 81 ALA O 1 85 TRP H 2.000 . 2.500 1.970 1.832 2.158 . 0 0 "[ . 1 . 2]" 7
28 1 81 ALA O 1 85 TRP N 3.000 2.500 3.500 2.932 2.810 3.123 . 0 0 "[ . 1 . 2]" 7
29 1 82 TRP O 1 86 ILE H 2.000 . 2.500 1.984 1.801 2.220 . 0 0 "[ . 1 . 2]" 7
30 1 82 TRP O 1 86 ILE N 3.000 2.500 3.500 2.950 2.763 3.192 . 0 0 "[ . 1 . 2]" 7
31 1 83 LYS O 1 87 GLU H 2.000 . 2.500 1.987 1.707 2.511 0.011 10 0 "[ . 1 . 2]" 7
32 1 83 LYS O 1 87 GLU N 3.000 2.500 3.500 2.941 2.669 3.453 . 0 0 "[ . 1 . 2]" 7
33 1 84 LEU O 1 88 GLU H 2.000 . 2.500 2.114 1.919 2.501 0.001 13 0 "[ . 1 . 2]" 7
34 1 84 LEU O 1 88 GLU N 3.000 2.500 3.500 3.006 2.811 3.370 . 0 0 "[ . 1 . 2]" 7
35 1 85 TRP O 1 89 HIS H 2.000 . 2.500 2.535 2.385 2.583 0.083 15 0 "[ . 1 . 2]" 7
36 1 85 TRP O 1 89 HIS N 3.000 2.500 3.500 3.471 3.328 3.535 0.035 14 0 "[ . 1 . 2]" 7
37 1 86 ILE O 1 90 ILE H 2.000 . 2.500 1.925 1.787 2.135 . 0 0 "[ . 1 . 2]" 7
38 1 86 ILE O 1 90 ILE N 3.000 2.500 3.500 2.841 2.721 3.006 . 0 0 "[ . 1 . 2]" 7
39 1 87 GLU O 1 91 LYS H 2.000 . 2.500 2.013 1.686 2.431 . 0 0 "[ . 1 . 2]" 7
40 1 87 GLU O 1 91 LYS N 3.000 2.500 3.500 2.932 2.661 3.256 . 0 0 "[ . 1 . 2]" 7
41 1 88 GLU O 1 92 VAL H 2.000 . 2.500 2.194 1.858 2.547 0.047 6 0 "[ . 1 . 2]" 7
42 1 88 GLU O 1 92 VAL N 3.000 2.500 3.500 3.126 2.783 3.460 . 0 0 "[ . 1 . 2]" 7
43 1 89 HIS O 1 93 THR H 2.000 . 2.500 2.030 1.798 2.506 0.006 10 0 "[ . 1 . 2]" 7
44 1 89 HIS O 1 93 THR N 3.000 2.500 3.500 2.915 2.770 3.401 . 0 0 "[ . 1 . 2]" 7
45 1 12 GLU O 1 67 VAL H 2.000 . 2.500 2.466 2.010 2.562 0.062 18 0 "[ . 1 . 2]" 7
46 1 12 GLU O 1 67 VAL N 3.000 2.500 3.500 3.311 2.912 3.424 . 0 0 "[ . 1 . 2]" 7
47 1 14 LEU H 1 65 VAL O 2.000 . 2.500 1.756 1.708 1.794 . 0 0 "[ . 1 . 2]" 7
48 1 14 LEU N 1 65 VAL O 3.000 2.500 3.500 2.725 2.668 2.772 . 0 0 "[ . 1 . 2]" 7
49 1 14 LEU O 1 65 VAL H 2.000 . 2.500 1.785 1.700 1.902 . 0 0 "[ . 1 . 2]" 7
50 1 14 LEU O 1 65 VAL N 3.000 2.500 3.500 2.754 2.667 2.856 . 0 0 "[ . 1 . 2]" 7
51 1 28 VAL H 1 68 GLY O 2.000 . 2.500 2.028 1.827 2.236 . 0 0 "[ . 1 . 2]" 7
52 1 28 VAL N 1 68 GLY O 3.000 2.500 3.500 2.995 2.802 3.169 . 0 0 "[ . 1 . 2]" 7
53 1 28 VAL O 1 68 GLY H 2.000 . 2.500 1.749 1.700 1.803 . 0 0 "[ . 1 . 2]" 7
54 1 28 VAL O 1 68 GLY N 3.000 2.500 3.500 2.725 2.689 2.779 . 0 0 "[ . 1 . 2]" 7
55 1 30 ALA H 1 66 LYS O 2.000 . 2.500 1.768 1.701 1.869 . 0 0 "[ . 1 . 2]" 7
56 1 30 ALA N 1 66 LYS O 3.000 2.500 3.500 2.724 2.655 2.818 . 0 0 "[ . 1 . 2]" 7
57 1 30 ALA O 1 66 LYS H 2.000 . 2.500 1.823 1.748 1.918 . 0 0 "[ . 1 . 2]" 7
58 1 30 ALA O 1 66 LYS N 3.000 2.500 3.500 2.789 2.720 2.866 . 0 0 "[ . 1 . 2]" 7
59 1 32 TYR H 1 64 SER O 2.000 . 2.500 1.828 1.736 1.901 . 0 0 "[ . 1 . 2]" 7
60 1 32 TYR N 1 64 SER O 3.000 2.500 3.500 2.768 2.706 2.828 . 0 0 "[ . 1 . 2]" 7
61 1 32 TYR O 1 64 SER H 2.000 . 2.500 1.865 1.806 1.998 . 0 0 "[ . 1 . 2]" 7
62 1 32 TYR O 1 64 SER N 3.000 2.500 3.500 2.826 2.748 2.952 . 0 0 "[ . 1 . 2]" 7
63 1 29 TYR H 1 42 GLY O 2.000 . 2.500 1.866 1.800 1.938 . 0 0 "[ . 1 . 2]" 7
64 1 29 TYR N 1 42 GLY O 3.000 2.500 3.500 2.825 2.766 2.895 . 0 0 "[ . 1 . 2]" 7
65 1 29 TYR O 1 42 GLY H 2.000 . 2.500 1.932 1.792 2.048 . 0 0 "[ . 1 . 2]" 7
66 1 29 TYR O 1 42 GLY N 3.000 2.500 3.500 2.889 2.763 2.991 . 0 0 "[ . 1 . 2]" 7
67 1 31 VAL H 1 40 PHE O 2.000 . 2.500 1.725 1.684 1.816 . 0 0 "[ . 1 . 2]" 7
68 1 31 VAL N 1 40 PHE O 3.000 2.500 3.500 2.700 2.665 2.801 . 0 0 "[ . 1 . 2]" 7
69 1 31 VAL O 1 40 PHE H 2.000 . 2.500 2.528 2.468 2.567 0.067 1 0 "[ . 1 . 2]" 7
70 1 31 VAL O 1 40 PHE N 3.000 2.500 3.500 3.485 3.414 3.522 0.022 18 0 "[ . 1 . 2]" 7
71 1 27 GLY H 1 44 SER O 2.000 . 2.500 2.055 1.887 2.281 . 0 0 "[ . 1 . 2]" 7
72 1 27 GLY N 1 44 SER O 3.000 2.500 3.500 3.004 2.834 3.234 . 0 0 "[ . 1 . 2]" 7
73 1 27 GLY O 1 44 SER H 2.000 . 2.500 2.030 1.868 2.293 . 0 0 "[ . 1 . 2]" 7
74 1 27 GLY O 1 44 SER N 3.000 2.500 3.500 2.993 2.848 3.250 . 0 0 "[ . 1 . 2]" 7
stop_
save_
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