NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397238 |
1sse   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sse
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 845
_Distance_constraint_stats_list.Viol_count 1069
_Distance_constraint_stats_list.Viol_total 1412.476
_Distance_constraint_stats_list.Viol_max 0.390
_Distance_constraint_stats_list.Viol_rms 0.0229
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0661
_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 ASP 0.055 0.021 3 0 "[ . 1 . 2]"
1 4 SER 0.055 0.021 3 0 "[ . 1 . 2]"
1 5 ASN 0.024 0.024 5 0 "[ . 1 . 2]"
1 6 MET 0.024 0.024 5 0 "[ . 1 . 2]"
1 7 PHE 0.080 0.040 4 0 "[ . 1 . 2]"
1 8 SER 0.128 0.040 4 0 "[ . 1 . 2]"
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.007 0.007 4 0 "[ . 1 . 2]"
1 14 GLU 0.040 0.024 19 0 "[ . 1 . 2]"
1 15 ASN 0.033 0.024 19 0 "[ . 1 . 2]"
1 18 ASP 0.048 0.048 14 0 "[ . 1 . 2]"
1 19 GLU 0.096 0.048 14 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 9.346 0.390 12 0 "[ . 1 . 2]"
1 22 SER 9.034 0.335 17 0 "[ . 1 . 2]"
1 23 GLU 0.197 0.093 6 0 "[ . 1 . 2]"
1 24 PHE 7.823 0.390 12 0 "[ . 1 . 2]"
1 25 CYS 0.585 0.133 4 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.580 0.107 18 0 "[ . 1 . 2]"
1 28 MET 2.434 0.159 18 0 "[ . 1 . 2]"
1 29 ASN 1.357 0.161 7 0 "[ . 1 . 2]"
1 30 GLN 2.133 0.159 18 0 "[ . 1 . 2]"
1 31 VAL 3.244 0.256 9 0 "[ . 1 . 2]"
1 32 CYS 1.412 0.161 7 0 "[ . 1 . 2]"
1 33 GLY 0.036 0.035 13 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 LYS 0.103 0.070 10 0 "[ . 1 . 2]"
2 11 ILE 0.123 0.070 10 0 "[ . 1 . 2]"
2 12 ASN 0.020 0.020 8 0 "[ . 1 . 2]"
2 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ASP 0.064 0.035 3 0 "[ . 1 . 2]"
2 23 VAL 3.963 0.368 15 0 "[ . 1 . 2]"
2 24 VAL 3.747 0.368 15 0 "[ . 1 . 2]"
2 25 PRO 0.042 0.024 6 0 "[ . 1 . 2]"
2 26 SER 0.132 0.035 2 0 "[ . 1 . 2]"
2 27 LYS 0.499 0.148 2 0 "[ . 1 . 2]"
2 28 GLU 0.536 0.148 2 0 "[ . 1 . 2]"
2 29 GLY 0.750 0.112 12 0 "[ . 1 . 2]"
2 30 SER 4.359 0.265 18 0 "[ . 1 . 2]"
2 31 LEU 6.501 0.265 18 0 "[ . 1 . 2]"
2 32 LEU 4.593 0.211 18 0 "[ . 1 . 2]"
2 33 ARG 0.135 0.037 20 0 "[ . 1 . 2]"
2 34 CYS 0.139 0.041 1 0 "[ . 1 . 2]"
2 35 SER 0.960 0.092 5 0 "[ . 1 . 2]"
2 36 GLU 3.259 0.233 5 0 "[ . 1 . 2]"
2 37 ILE 9.519 0.256 16 0 "[ . 1 . 2]"
2 38 TRP 0.960 0.092 5 0 "[ . 1 . 2]"
2 39 ASP 0.029 0.029 17 0 "[ . 1 . 2]"
2 40 ARG 4.945 0.256 16 0 "[ . 1 . 2]"
2 41 ILE 3.560 0.168 8 0 "[ . 1 . 2]"
2 42 THR 0.606 0.071 15 0 "[ . 1 . 2]"
2 43 THR 0.044 0.029 17 0 "[ . 1 . 2]"
2 44 HIS 0.391 0.137 19 0 "[ . 1 . 2]"
2 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 TYR 2.188 0.137 19 0 "[ . 1 . 2]"
2 48 SER 0.766 0.129 9 0 "[ . 1 . 2]"
2 49 ASP 0.840 0.124 3 0 "[ . 1 . 2]"
2 50 ILE 1.533 0.124 3 0 "[ . 1 . 2]"
2 51 ASP 2.021 0.166 19 0 "[ . 1 . 2]"
2 52 VAL 1.537 0.097 11 0 "[ . 1 . 2]"
2 53 ASP 1.849 0.166 19 0 "[ . 1 . 2]"
2 54 GLY 1.262 0.145 7 0 "[ . 1 . 2]"
2 55 LEU 3.703 0.294 20 0 "[ . 1 . 2]"
2 56 CYS 0.240 0.040 7 0 "[ . 1 . 2]"
2 57 SER 2.438 0.171 17 0 "[ . 1 . 2]"
2 58 GLU 1.090 0.120 19 0 "[ . 1 . 2]"
2 59 LEU 5.486 0.236 7 0 "[ . 1 . 2]"
2 60 MET 2.767 0.200 3 0 "[ . 1 . 2]"
2 61 ALA 0.112 0.068 15 0 "[ . 1 . 2]"
2 62 LYS 0.423 0.053 6 0 "[ . 1 . 2]"
2 63 ALA 1.950 0.256 9 0 "[ . 1 . 2]"
2 64 LYS 0.567 0.124 11 0 "[ . 1 . 2]"
2 65 CYS 0.575 0.124 11 0 "[ . 1 . 2]"
2 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 VAL 0.560 0.038 13 0 "[ . 1 . 2]"
2 71 VAL 1.051 0.118 5 0 "[ . 1 . 2]"
2 72 ILE 1.853 0.118 5 0 "[ . 1 . 2]"
2 73 ASN 0.613 0.096 19 0 "[ . 1 . 2]"
2 74 ALA 2.455 0.211 7 0 "[ . 1 . 2]"
2 75 GLU 0.533 0.089 10 0 "[ . 1 . 2]"
2 76 ASP 0.071 0.031 16 0 "[ . 1 . 2]"
2 77 VAL 6.747 0.294 20 0 "[ . 1 . 2]"
2 78 GLN 0.598 0.121 1 0 "[ . 1 . 2]"
2 79 LEU 0.146 0.046 20 0 "[ . 1 . 2]"
2 80 ALA 1.821 0.120 19 0 "[ . 1 . 2]"
2 81 LEU 2.841 0.236 7 0 "[ . 1 . 2]"
2 82 ASN 0.208 0.082 20 0 "[ . 1 . 2]"
2 83 LYS 0.143 0.040 16 0 "[ . 1 . 2]"
2 84 HIS 0.274 0.071 11 0 "[ . 1 . 2]"
2 85 MET 0.647 0.082 20 0 "[ . 1 . 2]"
2 86 ASN 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 3 ASP H 1 4 SER H 2.800 . 4.200 3.363 1.560 4.218 0.018 9 0 "[ . 1 . 2]" 1
2 1 4 SER H 1 5 ASN H 4.100 2.100 6.100 4.000 2.117 4.668 . 0 0 "[ . 1 . 2]" 1
3 1 5 ASN H 1 6 MET H 3.200 . 4.700 3.522 1.676 4.604 0.024 5 0 "[ . 1 . 2]" 1
4 1 8 SER H 1 9 ASN H 3.500 . 5.200 4.167 2.723 4.696 . 0 0 "[ . 1 . 2]" 1
5 1 8 SER H 1 19 GLU H 2.600 . 3.900 3.792 2.709 3.916 0.016 12 0 "[ . 1 . 2]" 1
6 1 11 PHE H 1 12 ASN H 2.200 . 3.300 2.545 1.502 3.270 . 0 0 "[ . 1 . 2]" 1
7 1 13 PHE H 1 14 GLU H 2.400 . 3.500 2.663 1.487 3.507 0.007 4 0 "[ . 1 . 2]" 1
8 1 14 GLU H 1 15 ASN H 2.400 . 3.500 2.442 1.531 3.524 0.024 19 0 "[ . 1 . 2]" 1
9 1 18 ASP H 1 19 GLU H 2.400 . 3.700 3.201 1.944 3.748 0.048 14 0 "[ . 1 . 2]" 1
10 1 20 GLN H 1 21 VAL H 2.500 . 3.800 2.183 1.465 3.449 . 0 0 "[ . 1 . 2]" 1
11 1 21 VAL H 1 22 SER H 2.500 . 3.600 3.580 2.875 3.797 0.197 5 0 "[ . 1 . 2]" 1
12 1 22 SER H 1 23 GLU H 3.400 . 5.100 3.114 1.607 4.611 0.093 6 0 "[ . 1 . 2]" 1
13 1 23 GLU H 1 24 PHE H 2.700 . 4.100 2.669 2.517 2.876 . 0 0 "[ . 1 . 2]" 1
14 1 24 PHE H 1 26 SER H 4.300 2.200 6.400 3.913 3.474 4.161 . 0 0 "[ . 1 . 2]" 1
15 1 26 SER H 1 27 LYS H 2.500 . 3.800 2.848 2.756 2.915 . 0 0 "[ . 1 . 2]" 1
16 1 26 SER H 1 28 MET H 4.600 2.400 6.800 3.973 3.852 4.111 . 0 0 "[ . 1 . 2]" 1
17 1 26 SER H 1 29 ASN H 3.700 . 5.500 5.021 4.819 5.180 . 0 0 "[ . 1 . 2]" 1
18 1 27 LYS H 1 29 ASN H 3.900 . 5.900 3.747 3.538 3.865 . 0 0 "[ . 1 . 2]" 1
19 1 28 MET H 1 29 ASN H 2.500 . 3.800 2.399 2.335 2.477 . 0 0 "[ . 1 . 2]" 1
20 1 28 MET H 1 30 GLN H 2.500 . 3.800 3.885 3.846 3.959 0.159 18 0 "[ . 1 . 2]" 1
21 1 29 ASN H 1 30 GLN H 2.500 . 3.800 2.217 2.141 2.293 . 0 0 "[ . 1 . 2]" 1
22 1 30 GLN H 1 31 VAL H 2.300 . 3.600 2.988 2.940 3.063 . 0 0 "[ . 1 . 2]" 1
23 1 30 GLN H 1 32 CYS H 4.200 2.100 6.300 4.162 4.080 4.210 . 0 0 "[ . 1 . 2]" 1
24 1 31 VAL H 1 33 GLY H 4.700 2.500 6.900 4.576 4.132 5.328 . 0 0 "[ . 1 . 2]" 1
25 1 32 CYS H 1 33 GLY H 2.300 . 3.600 2.582 2.118 2.949 . 0 0 "[ . 1 . 2]" 1
26 2 4 SER H 2 5 LEU H 3.000 . 4.500 3.216 1.640 4.494 . 0 0 "[ . 1 . 2]" 1
27 2 11 ILE H 2 12 ASN H 3.700 . 5.500 3.588 1.880 4.687 0.020 8 0 "[ . 1 . 2]" 1
28 2 23 VAL H 2 24 VAL H 2.800 . 4.100 3.736 1.746 4.468 0.368 15 0 "[ . 1 . 2]" 1
29 2 29 GLY H 2 30 SER H 2.800 . 4.200 3.655 1.817 4.312 0.112 12 0 "[ . 1 . 2]" 1
30 2 30 SER H 2 74 ALA H 4.500 2.300 6.700 3.183 2.292 3.904 0.008 2 0 "[ . 1 . 2]" 1
31 2 31 LEU H 2 32 LEU H 4.200 2.100 6.300 4.456 4.413 4.508 . 0 0 "[ . 1 . 2]" 1
32 2 32 LEU H 2 33 ARG H 4.000 . 6.000 4.486 4.433 4.511 . 0 0 "[ . 1 . 2]" 1
33 2 32 LEU H 2 72 ILE H 2.600 . 3.900 2.491 1.997 3.228 . 0 0 "[ . 1 . 2]" 1
34 2 32 LEU H 2 74 ALA H 3.800 . 5.600 4.619 4.064 5.080 . 0 0 "[ . 1 . 2]" 1
35 2 33 ARG H 2 36 GLU H 3.600 . 5.300 4.203 3.959 4.712 . 0 0 "[ . 1 . 2]" 1
36 2 36 GLU H 2 37 ILE H 2.500 . 3.800 2.790 2.661 2.873 . 0 0 "[ . 1 . 2]" 1
37 2 37 ILE H 2 38 TRP H 3.900 . 5.900 2.525 2.399 2.619 . 0 0 "[ . 1 . 2]" 1
38 2 38 TRP H 2 39 ASP H 3.900 . 5.900 2.807 2.705 2.911 . 0 0 "[ . 1 . 2]" 1
39 2 39 ASP H 2 40 ARG H 2.500 . 3.800 2.553 2.507 2.618 . 0 0 "[ . 1 . 2]" 1
40 2 40 ARG H 2 41 ILE H 2.200 . 3.300 2.725 2.662 2.814 . 0 0 "[ . 1 . 2]" 1
41 2 41 ILE H 2 42 THR H 2.400 . 3.700 2.632 2.370 2.969 . 0 0 "[ . 1 . 2]" 1
42 2 41 ILE H 2 43 THR H 4.600 2.400 6.800 4.235 3.973 4.564 . 0 0 "[ . 1 . 2]" 1
43 2 42 THR H 2 43 THR H 2.800 . 4.200 2.889 2.772 2.960 . 0 0 "[ . 1 . 2]" 1
44 2 43 THR H 2 44 HIS H 2.300 . 3.400 2.950 2.776 3.302 . 0 0 "[ . 1 . 2]" 1
45 2 44 HIS H 2 47 TYR H 4.400 2.200 6.600 6.311 5.435 6.737 0.137 19 0 "[ . 1 . 2]" 1
46 2 47 TYR H 2 48 SER H 3.000 . 4.500 3.484 1.899 4.614 0.114 9 0 "[ . 1 . 2]" 1
47 2 47 TYR H 2 49 ASP H 4.800 2.400 7.200 5.711 4.293 7.241 0.041 9 0 "[ . 1 . 2]" 1
48 2 48 SER H 2 49 ASP H 2.600 . 3.900 2.803 1.640 4.004 0.104 8 0 "[ . 1 . 2]" 1
49 2 49 ASP H 2 50 ILE H 4.200 3.100 5.300 3.418 2.976 4.377 0.124 3 0 "[ . 1 . 2]" 1
50 2 50 ILE H 2 51 ASP H 3.800 . 5.800 3.988 1.701 4.628 0.099 8 0 "[ . 1 . 2]" 1
51 2 51 ASP H 2 52 VAL H 3.900 . 5.900 3.945 3.222 4.388 . 0 0 "[ . 1 . 2]" 1
52 2 51 ASP H 2 53 ASP H 3.500 . 5.200 5.289 5.137 5.366 0.166 19 0 "[ . 1 . 2]" 1
53 2 52 VAL H 2 53 ASP H 2.500 . 3.800 2.411 2.371 2.461 . 0 0 "[ . 1 . 2]" 1
54 2 53 ASP H 2 54 GLY H 2.100 . 3.200 2.603 2.459 2.857 . 0 0 "[ . 1 . 2]" 1
55 2 53 ASP H 2 55 LEU H 3.000 . 4.400 4.143 3.984 4.334 . 0 0 "[ . 1 . 2]" 1
56 2 53 ASP H 2 56 CYS H 4.100 2.100 6.100 4.741 4.488 4.908 . 0 0 "[ . 1 . 2]" 1
57 2 54 GLY H 2 55 LEU H 2.300 . 3.400 2.665 2.594 2.729 . 0 0 "[ . 1 . 2]" 1
58 2 54 GLY H 2 56 CYS H 4.200 2.100 6.300 3.844 3.687 4.005 . 0 0 "[ . 1 . 2]" 1
59 2 55 LEU H 2 56 CYS H 2.500 . 3.800 2.571 2.481 2.727 . 0 0 "[ . 1 . 2]" 1
60 2 55 LEU H 2 57 SER H 3.900 . 5.900 4.594 4.473 4.735 . 0 0 "[ . 1 . 2]" 1
61 2 55 LEU H 2 58 GLU H 4.600 2.400 6.800 4.926 4.727 5.093 . 0 0 "[ . 1 . 2]" 1
62 2 56 CYS H 2 57 SER H 2.500 . 3.800 2.752 2.598 2.899 . 0 0 "[ . 1 . 2]" 1
63 2 56 CYS H 2 58 GLU H 4.800 2.400 7.200 3.691 3.590 3.812 . 0 0 "[ . 1 . 2]" 1
64 2 57 SER H 2 58 GLU H 2.300 . 3.400 2.523 2.461 2.594 . 0 0 "[ . 1 . 2]" 1
65 2 57 SER H 2 59 LEU H 4.200 2.200 6.200 4.445 4.125 4.620 . 0 0 "[ . 1 . 2]" 1
66 2 58 GLU H 2 59 LEU H 2.300 . 3.400 2.283 2.092 2.404 . 0 0 "[ . 1 . 2]" 1
67 2 58 GLU H 2 60 MET H 4.200 2.100 6.300 3.347 3.240 3.490 . 0 0 "[ . 1 . 2]" 1
68 2 59 LEU H 2 60 MET H 2.500 . 3.800 2.404 2.253 2.685 . 0 0 "[ . 1 . 2]" 1
69 2 59 LEU H 2 61 ALA H 4.500 2.300 6.700 4.307 4.112 4.429 . 0 0 "[ . 1 . 2]" 1
70 2 60 MET H 2 61 ALA H 2.500 . 3.800 2.696 2.568 2.869 . 0 0 "[ . 1 . 2]" 1
71 2 60 MET H 2 62 LYS H 4.500 2.300 6.700 3.987 3.814 4.189 . 0 0 "[ . 1 . 2]" 1
72 2 61 ALA H 2 62 LYS H 2.200 . 3.300 2.192 2.112 2.315 . 0 0 "[ . 1 . 2]" 1
73 2 62 LYS H 2 63 ALA H 1.900 . 2.900 2.226 1.946 2.472 . 0 0 "[ . 1 . 2]" 1
74 2 63 ALA H 2 64 LYS H 3.900 . 5.900 4.622 4.365 4.678 . 0 0 "[ . 1 . 2]" 1
75 2 64 LYS H 2 65 CYS H 2.600 . 3.900 3.888 3.738 4.024 0.124 11 0 "[ . 1 . 2]" 1
76 2 64 LYS H 2 71 VAL H 2.900 . 4.300 2.686 2.182 3.136 . 0 0 "[ . 1 . 2]" 1
77 2 65 CYS H 2 66 SER H 4.200 2.100 6.300 4.506 4.434 4.593 . 0 0 "[ . 1 . 2]" 1
78 2 66 SER H 2 69 GLY H 3.500 . 5.200 4.035 3.351 4.472 . 0 0 "[ . 1 . 2]" 1
79 2 67 GLU H 2 68 ARG H 4.200 2.100 6.300 2.635 2.597 2.678 . 0 0 "[ . 1 . 2]" 1
80 2 68 ARG H 2 69 GLY H 2.200 . 3.300 2.742 2.259 3.023 . 0 0 "[ . 1 . 2]" 1
81 2 69 GLY H 2 70 VAL H 3.800 . 5.600 4.612 4.456 4.725 . 0 0 "[ . 1 . 2]" 1
82 2 70 VAL H 2 71 VAL H 3.100 . 4.600 4.628 4.618 4.638 0.038 13 0 "[ . 1 . 2]" 1
83 2 72 ILE H 2 73 ASN H 4.200 2.100 6.300 4.472 4.417 4.535 . 0 0 "[ . 1 . 2]" 1
84 2 73 ASN H 2 75 GLU H 3.800 . 5.600 4.573 4.473 4.760 . 0 0 "[ . 1 . 2]" 1
85 2 75 GLU H 2 76 ASP H 2.200 . 3.300 2.510 2.446 2.556 . 0 0 "[ . 1 . 2]" 1
86 2 75 GLU H 2 77 VAL H 3.400 . 5.100 4.342 3.881 4.641 . 0 0 "[ . 1 . 2]" 1
87 2 76 ASP H 2 77 VAL H 2.200 . 3.300 2.442 2.209 2.576 . 0 0 "[ . 1 . 2]" 1
88 2 76 ASP H 2 78 GLN H 3.500 . 5.200 3.809 3.554 3.995 . 0 0 "[ . 1 . 2]" 1
89 2 76 ASP H 2 79 LEU H 4.600 2.400 6.800 4.486 4.288 4.694 . 0 0 "[ . 1 . 2]" 1
90 2 77 VAL H 2 78 GLN H 2.200 . 3.300 2.731 2.275 2.982 . 0 0 "[ . 1 . 2]" 1
91 2 79 LEU H 2 80 ALA H 2.200 . 3.300 2.371 2.313 2.467 . 0 0 "[ . 1 . 2]" 1
92 2 79 LEU H 2 81 LEU H 3.900 . 5.900 4.046 3.791 4.401 . 0 0 "[ . 1 . 2]" 1
93 2 80 ALA H 2 81 LEU H 2.200 . 3.300 2.358 2.243 2.497 . 0 0 "[ . 1 . 2]" 1
94 2 81 LEU H 2 82 ASN H 2.300 . 3.400 2.614 2.262 3.136 . 0 0 "[ . 1 . 2]" 1
95 2 81 LEU H 2 83 LYS H 4.100 2.100 6.100 3.795 3.505 4.055 . 0 0 "[ . 1 . 2]" 1
96 2 82 ASN H 2 83 LYS H 2.200 . 3.300 2.534 2.293 2.933 . 0 0 "[ . 1 . 2]" 1
97 2 85 MET H 2 86 ASN H 3.200 . 4.700 4.393 4.184 4.594 . 0 0 "[ . 1 . 2]" 1
98 1 3 ASP HA 1 4 SER H 2.200 . 3.300 2.752 2.186 3.321 0.021 3 0 "[ . 1 . 2]" 1
99 1 3 ASP QB 1 4 SER H 3.400 . 5.200 3.364 1.780 4.053 . 0 0 "[ . 1 . 2]" 1
100 1 4 SER H 1 4 SER QB 2.700 . 4.500 2.798 2.271 3.382 . 0 0 "[ . 1 . 2]" 1
101 1 7 PHE HA 1 8 SER H 2.200 . 3.300 2.548 2.191 3.048 . 0 0 "[ . 1 . 2]" 1
102 1 7 PHE QB 1 8 SER H 3.800 . 5.800 2.605 1.860 3.939 0.040 4 0 "[ . 1 . 2]" 1
103 1 8 SER H 1 8 SER QB 2.700 . 4.700 2.699 2.264 3.480 . 0 0 "[ . 1 . 2]" 1
104 1 20 GLN QB 1 21 VAL H 2.900 . 4.400 3.102 2.332 3.764 . 0 0 "[ . 1 . 2]" 1
105 1 21 VAL HA 1 22 SER H 3.500 . 5.200 2.525 2.009 3.545 . 0 0 "[ . 1 . 2]" 1
106 1 21 VAL HA 1 24 PHE H 3.900 2.500 5.300 5.291 3.883 5.690 0.390 12 0 "[ . 1 . 2]" 1
107 1 21 VAL H 1 21 VAL HB 2.600 . 4.400 3.487 2.609 4.013 . 0 0 "[ . 1 . 2]" 1
108 1 21 VAL HB 1 22 SER H 3.900 . 5.900 3.683 1.807 4.617 0.093 17 0 "[ . 1 . 2]" 1
109 1 21 VAL H 1 21 VAL QG 2.800 . 4.800 2.228 1.732 2.823 . 0 0 "[ . 1 . 2]" 1
110 1 21 VAL QG 1 22 SER H 3.000 . 4.500 2.993 1.746 3.747 . 0 0 "[ . 1 . 2]" 1
111 1 23 GLU HA 1 24 PHE H 4.000 . 6.000 3.445 3.365 3.543 . 0 0 "[ . 1 . 2]" 1
112 1 23 GLU H 1 23 GLU QB 3.000 . 5.000 2.469 2.252 2.624 . 0 0 "[ . 1 . 2]" 1
113 1 23 GLU QB 1 24 PHE H 2.800 . 4.300 3.050 2.637 3.511 . 0 0 "[ . 1 . 2]" 1
114 1 24 PHE H 1 24 PHE QB 3.200 . 4.800 2.256 2.111 2.307 . 0 0 "[ . 1 . 2]" 1
115 1 26 SER HA 1 27 LYS H 4.400 2.300 6.500 3.516 3.470 3.576 . 0 0 "[ . 1 . 2]" 1
116 1 26 SER HA 1 29 ASN H 4.300 2.800 5.800 3.892 3.651 4.169 . 0 0 "[ . 1 . 2]" 1
117 1 26 SER H 1 26 SER QB 2.800 . 4.800 2.353 2.156 2.663 . 0 0 "[ . 1 . 2]" 1
118 1 26 SER QB 1 27 LYS H 3.000 . 4.700 3.000 2.659 3.595 . 0 0 "[ . 1 . 2]" 1
119 1 27 LYS HA 1 28 MET H 4.200 2.100 6.300 3.396 3.361 3.463 . 0 0 "[ . 1 . 2]" 1
120 1 27 LYS HA 1 30 GLN H 4.300 2.800 5.800 2.790 2.693 2.878 0.107 18 0 "[ . 1 . 2]" 1
121 1 27 LYS H 1 27 LYS QB 2.400 . 4.000 2.536 2.343 2.690 . 0 0 "[ . 1 . 2]" 1
122 1 27 LYS QB 1 28 MET H 2.900 . 4.400 3.168 2.900 3.297 . 0 0 "[ . 1 . 2]" 1
123 1 27 LYS QD 1 28 MET H 4.900 2.400 7.400 5.161 4.248 5.731 . 0 0 "[ . 1 . 2]" 1
124 1 27 LYS H 1 27 LYS QG 3.100 . 5.300 3.205 2.351 4.133 . 0 0 "[ . 1 . 2]" 1
125 1 28 MET HA 1 29 ASN H 4.000 . 6.000 3.494 3.437 3.537 . 0 0 "[ . 1 . 2]" 1
126 1 28 MET H 1 28 MET QB 3.000 . 4.900 2.303 2.136 2.463 . 0 0 "[ . 1 . 2]" 1
127 1 28 MET QB 1 29 ASN H 3.600 . 5.600 2.954 2.866 3.061 . 0 0 "[ . 1 . 2]" 1
128 1 29 ASN HA 1 30 GLN H 3.500 . 5.200 3.519 3.497 3.537 . 0 0 "[ . 1 . 2]" 1
129 1 29 ASN HA 1 32 CYS H 3.900 2.500 5.300 3.931 3.790 4.075 . 0 0 "[ . 1 . 2]" 1
130 1 29 ASN H 1 29 ASN QB 2.400 . 4.000 2.429 2.334 2.778 . 0 0 "[ . 1 . 2]" 1
131 1 29 ASN QB 1 30 GLN H 4.200 . 6.400 2.576 2.461 3.378 . 0 0 "[ . 1 . 2]" 1
132 1 30 GLN HA 1 31 VAL H 3.600 . 5.400 3.561 3.537 3.589 . 0 0 "[ . 1 . 2]" 1
133 1 30 GLN HA 1 33 GLY H 3.300 2.100 4.500 3.517 2.566 4.501 0.001 19 0 "[ . 1 . 2]" 1
134 1 30 GLN H 1 30 GLN QB 2.200 . 3.800 2.335 2.288 2.459 . 0 0 "[ . 1 . 2]" 1
135 1 30 GLN QB 1 31 VAL H 3.100 . 4.800 2.535 2.414 2.625 . 0 0 "[ . 1 . 2]" 1
136 1 30 GLN H 1 30 GLN QG 2.800 . 4.800 3.903 2.343 4.158 . 0 0 "[ . 1 . 2]" 1
137 1 31 VAL HA 1 32 CYS H 3.400 . 5.100 3.401 3.383 3.424 . 0 0 "[ . 1 . 2]" 1
138 1 31 VAL H 1 31 VAL HB 2.300 . 3.900 2.887 2.489 3.642 . 0 0 "[ . 1 . 2]" 1
139 1 31 VAL HB 1 32 CYS H 3.200 . 4.700 3.378 3.091 4.184 . 0 0 "[ . 1 . 2]" 1
140 1 31 VAL H 1 31 VAL QG 2.000 . 3.400 1.783 1.707 2.225 . 0 0 "[ . 1 . 2]" 1
141 1 31 VAL QG 1 32 CYS H 3.000 . 4.700 3.260 2.242 3.541 . 0 0 "[ . 1 . 2]" 1
142 1 32 CYS HA 1 33 GLY H 3.400 . 5.100 3.372 2.976 3.591 . 0 0 "[ . 1 . 2]" 1
143 1 32 CYS H 1 32 CYS QB 3.100 . 4.700 2.283 2.167 2.486 . 0 0 "[ . 1 . 2]" 1
144 1 32 CYS QB 1 33 GLY H 4.300 2.100 6.400 2.970 2.065 3.788 0.035 13 0 "[ . 1 . 2]" 1
145 1 33 GLY QA 1 34 THR H 2.600 . 4.000 2.174 2.156 2.239 . 0 0 "[ . 1 . 2]" 1
146 1 34 THR HA 1 35 ARG H 3.000 . 4.400 2.234 2.190 2.314 . 0 0 "[ . 1 . 2]" 1
147 1 34 THR H 1 34 THR HB 3.300 . 5.700 3.072 2.549 3.679 . 0 0 "[ . 1 . 2]" 1
148 1 34 THR H 1 34 THR MG 3.800 . 6.400 2.863 1.746 3.915 . 0 0 "[ . 1 . 2]" 1
149 2 10 LYS HA 2 11 ILE H 2.400 . 3.500 2.719 2.205 3.570 0.070 10 0 "[ . 1 . 2]" 1
150 2 11 ILE H 2 11 ILE HB 3.100 . 5.300 3.213 2.391 3.882 . 0 0 "[ . 1 . 2]" 1
151 2 11 ILE H 2 11 ILE QG 4.000 . 6.800 2.874 1.787 4.298 . 0 0 "[ . 1 . 2]" 1
152 2 22 ASP HA 2 23 VAL H 1.900 . 2.900 2.523 2.207 2.935 0.035 3 0 "[ . 1 . 2]" 1
153 2 22 ASP QB 2 23 VAL H 3.600 . 5.600 3.025 1.802 4.062 . 0 0 "[ . 1 . 2]" 1
154 2 23 VAL HA 2 24 VAL H 2.000 . 3.000 2.682 2.177 3.301 0.301 17 0 "[ . 1 . 2]" 1
155 2 23 VAL H 2 23 VAL HB 2.200 . 3.800 3.349 2.416 3.878 0.078 9 0 "[ . 1 . 2]" 1
156 2 23 VAL HB 2 24 VAL H 2.400 . 3.700 3.268 1.764 3.904 0.204 17 0 "[ . 1 . 2]" 1
157 2 23 VAL H 2 23 VAL QG 2.200 . 3.800 2.238 1.804 2.709 . 0 0 "[ . 1 . 2]" 1
158 2 23 VAL QG 2 24 VAL H 2.600 . 4.000 2.689 1.746 3.660 . 0 0 "[ . 1 . 2]" 1
159 2 24 VAL H 2 24 VAL QG 2.900 . 4.900 2.246 1.738 3.198 . 0 0 "[ . 1 . 2]" 1
160 2 25 PRO HA 2 26 SER H 1.800 . 2.600 2.391 2.197 2.624 0.024 6 0 "[ . 1 . 2]" 1
161 2 25 PRO QB 2 26 SER H 3.700 . 5.600 3.107 2.406 3.907 . 0 0 "[ . 1 . 2]" 1
162 2 26 SER HA 2 27 LYS H 1.900 . 2.900 2.604 2.198 2.935 0.035 2 0 "[ . 1 . 2]" 1
163 2 26 SER H 2 26 SER QB 2.300 . 3.900 2.829 2.269 3.380 . 0 0 "[ . 1 . 2]" 1
164 2 26 SER QB 2 27 LYS H 3.200 . 4.900 3.271 1.826 4.067 . 0 0 "[ . 1 . 2]" 1
165 2 27 LYS HA 2 28 GLU H 2.200 . 3.300 2.580 2.201 3.448 0.148 2 0 "[ . 1 . 2]" 1
166 2 27 LYS H 2 27 LYS QB 2.600 . 4.400 2.733 2.241 3.373 . 0 0 "[ . 1 . 2]" 1
167 2 27 LYS QB 2 28 GLU H 3.800 . 5.800 3.165 1.755 4.052 0.045 9 0 "[ . 1 . 2]" 1
168 2 27 LYS H 2 27 LYS QG 3.100 . 5.300 3.419 1.727 4.332 . 0 0 "[ . 1 . 2]" 1
169 2 27 LYS QG 2 28 GLU H 4.700 2.300 7.100 3.247 2.225 4.345 0.075 9 0 "[ . 1 . 2]" 1
170 2 28 GLU HA 2 29 GLY H 2.000 . 3.000 2.490 2.183 3.092 0.092 12 0 "[ . 1 . 2]" 1
171 2 28 GLU H 2 28 GLU QB 2.600 . 4.400 2.611 2.255 3.413 . 0 0 "[ . 1 . 2]" 1
172 2 28 GLU QB 2 29 GLY H 3.900 . 6.000 3.251 1.876 4.034 0.024 6 0 "[ . 1 . 2]" 1
173 2 28 GLU H 2 28 GLU QG 2.900 . 4.900 2.939 1.799 4.378 . 0 0 "[ . 1 . 2]" 1
174 2 28 GLU QG 2 29 GLY H 3.600 . 5.400 3.778 2.340 4.656 . 0 0 "[ . 1 . 2]" 1
175 2 29 GLY QA 2 30 SER H 2.400 . 3.600 2.289 2.162 2.775 . 0 0 "[ . 1 . 2]" 1
176 2 30 SER HA 2 31 LEU H 2.000 . 3.000 2.387 2.338 2.420 . 0 0 "[ . 1 . 2]" 1
177 2 30 SER H 2 30 SER QB 2.300 . 3.900 2.446 2.348 2.770 . 0 0 "[ . 1 . 2]" 1
178 2 30 SER QB 2 31 LEU H 2.800 . 4.300 2.333 2.282 2.500 . 0 0 "[ . 1 . 2]" 1
179 2 30 SER QB 2 74 ALA H 4.100 2.100 6.100 4.255 3.848 4.566 . 0 0 "[ . 1 . 2]" 1
180 2 30 SER H 2 32 LEU HG 4.600 3.000 6.200 4.956 4.360 5.370 . 0 0 "[ . 1 . 2]" 1
181 2 30 SER H 2 74 ALA MB 4.500 2.300 6.700 2.502 2.279 2.799 0.021 14 0 "[ . 1 . 2]" 1
182 2 31 LEU HA 2 32 LEU H 2.400 . 3.500 2.219 2.179 2.241 . 0 0 "[ . 1 . 2]" 1
183 2 31 LEU H 2 31 LEU QB 3.200 . 5.400 2.269 2.202 2.463 . 0 0 "[ . 1 . 2]" 1
184 2 31 LEU QB 2 32 LEU H 4.100 . 6.200 3.442 3.318 3.913 . 0 0 "[ . 1 . 2]" 1
185 2 31 LEU H 2 31 LEU QD 3.300 . 5.700 2.225 1.842 3.708 . 0 0 "[ . 1 . 2]" 1
186 2 31 LEU QD 2 32 LEU H 3.400 2.200 5.200 3.719 3.313 4.126 . 0 0 "[ . 1 . 2]" 1
187 2 31 LEU H 2 31 LEU HG 2.600 . 4.400 3.735 2.099 4.456 0.056 1 0 "[ . 1 . 2]" 1
188 2 31 LEU H 2 32 LEU HG 2.600 . 4.000 4.064 4.009 4.161 0.161 17 0 "[ . 1 . 2]" 1
189 2 32 LEU HA 2 33 ARG H 2.300 . 3.400 2.313 2.209 2.408 . 0 0 "[ . 1 . 2]" 1
190 2 32 LEU H 2 32 LEU QB 3.700 . 6.300 2.899 2.682 3.184 . 0 0 "[ . 1 . 2]" 1
191 2 32 LEU QD 2 33 ARG H 3.400 . 5.200 4.129 3.690 4.304 . 0 0 "[ . 1 . 2]" 1
192 2 32 LEU QD 2 73 ASN H 3.700 . 5.500 4.543 4.188 4.906 . 0 0 "[ . 1 . 2]" 1
193 2 32 LEU QD 2 74 ALA H 3.400 . 5.100 2.439 2.083 2.686 . 0 0 "[ . 1 . 2]" 1
194 2 32 LEU QD 2 77 VAL H 3.500 . 5.200 4.619 4.222 4.923 . 0 0 "[ . 1 . 2]" 1
195 2 36 GLU HA 2 39 ASP H 3.400 2.200 4.600 3.822 3.394 3.988 . 0 0 "[ . 1 . 2]" 1
196 2 36 GLU H 2 36 GLU QB 3.500 . 5.900 2.188 2.072 2.380 . 0 0 "[ . 1 . 2]" 1
197 2 36 GLU H 2 36 GLU QG 3.200 . 5.400 3.694 2.186 4.080 . 0 0 "[ . 1 . 2]" 1
198 2 37 ILE H 2 37 ILE HB 3.700 . 6.300 2.128 2.066 2.182 . 0 0 "[ . 1 . 2]" 1
199 2 37 ILE H 2 37 ILE MG 4.100 . 7.100 3.522 3.372 3.615 . 0 0 "[ . 1 . 2]" 1
200 2 38 TRP HA 2 39 ASP H 3.000 . 4.400 3.534 3.497 3.553 . 0 0 "[ . 1 . 2]" 1
201 2 38 TRP QB 2 39 ASP H 4.000 . 5.200 2.592 2.523 2.783 . 0 0 "[ . 1 . 2]" 1
202 2 39 ASP HA 2 42 THR H 4.400 2.900 5.900 3.296 3.100 3.548 . 0 0 "[ . 1 . 2]" 1
203 2 39 ASP H 2 39 ASP QB 2.500 . 4.000 2.350 2.254 2.482 . 0 0 "[ . 1 . 2]" 1
204 2 39 ASP QB 2 40 ARG H 3.400 . 5.200 2.496 2.472 2.574 . 0 0 "[ . 1 . 2]" 1
205 2 40 ARG HA 2 43 THR H 4.600 3.000 6.200 4.029 3.505 4.415 . 0 0 "[ . 1 . 2]" 1
206 2 40 ARG H 2 40 ARG QB 3.000 . 5.200 2.388 2.196 2.552 . 0 0 "[ . 1 . 2]" 1
207 2 40 ARG QB 2 41 ILE H 3.900 . 6.000 2.661 2.346 2.986 . 0 0 "[ . 1 . 2]" 1
208 2 40 ARG H 2 40 ARG QD 4.300 . 7.300 4.043 3.428 4.804 . 0 0 "[ . 1 . 2]" 1
209 2 40 ARG H 2 40 ARG QG 3.000 . 5.000 3.079 1.940 4.116 . 0 0 "[ . 1 . 2]" 1
210 2 41 ILE HA 2 43 THR H 4.200 2.700 5.700 4.448 3.938 4.940 . 0 0 "[ . 1 . 2]" 1
211 2 41 ILE HA 2 44 HIS H 3.800 2.500 5.100 3.884 3.463 4.428 . 0 0 "[ . 1 . 2]" 1
212 2 41 ILE H 2 41 ILE HB 2.600 . 4.400 2.499 2.284 2.764 . 0 0 "[ . 1 . 2]" 1
213 2 41 ILE HB 2 42 THR H 3.800 . 5.600 2.496 2.332 2.719 . 0 0 "[ . 1 . 2]" 1
214 2 41 ILE H 2 41 ILE MD 3.000 . 5.200 3.125 1.914 3.712 . 0 0 "[ . 1 . 2]" 1
215 2 41 ILE MD 2 42 THR H 4.900 2.400 7.400 4.332 3.906 4.639 . 0 0 "[ . 1 . 2]" 1
216 2 41 ILE H 2 41 ILE QG 3.000 . 5.000 2.315 1.859 3.537 . 0 0 "[ . 1 . 2]" 1
217 2 41 ILE QG 2 42 THR H 4.800 2.300 7.300 3.990 3.654 4.494 . 0 0 "[ . 1 . 2]" 1
218 2 41 ILE H 2 41 ILE MG 3.000 . 5.000 3.755 3.698 3.819 . 0 0 "[ . 1 . 2]" 1
219 2 41 ILE MG 2 42 THR H 3.900 . 6.000 3.326 2.993 3.853 . 0 0 "[ . 1 . 2]" 1
220 2 41 ILE MG 2 43 THR H 4.900 2.500 7.300 4.971 4.490 5.384 . 0 0 "[ . 1 . 2]" 1
221 2 41 ILE H 2 42 THR MG 4.000 . 6.100 4.322 3.761 5.895 . 0 0 "[ . 1 . 2]" 1
222 2 42 THR HA 2 43 THR H 4.500 2.300 6.700 3.572 3.520 3.609 . 0 0 "[ . 1 . 2]" 1
223 2 42 THR H 2 42 THR MG 2.900 . 4.900 2.268 1.903 3.781 . 0 0 "[ . 1 . 2]" 1
224 2 43 THR H 2 43 THR HB 3.600 . 6.000 3.268 2.416 3.637 . 0 0 "[ . 1 . 2]" 1
225 2 43 THR H 2 43 THR MG 2.600 . 4.400 1.969 1.758 2.271 . 0 0 "[ . 1 . 2]" 1
226 2 46 LYS HA 2 47 TYR H 3.600 . 5.400 2.845 2.177 3.592 . 0 0 "[ . 1 . 2]" 1
227 2 47 TYR H 2 47 TYR QB 2.800 . 4.800 2.497 2.050 3.011 . 0 0 "[ . 1 . 2]" 1
228 2 47 TYR QB 2 48 SER H 4.700 2.200 5.700 3.365 2.071 4.048 0.129 9 0 "[ . 1 . 2]" 1
229 2 48 SER H 2 48 SER QB 3.000 . 5.000 2.800 2.275 3.419 . 0 0 "[ . 1 . 2]" 1
230 2 49 ASP HA 2 50 ILE H 3.000 . 4.500 2.806 2.179 3.543 . 0 0 "[ . 1 . 2]" 1
231 2 49 ASP QB 2 50 ILE H 4.000 . 6.100 3.244 1.828 4.068 0.072 16 0 "[ . 1 . 2]" 1
232 2 51 ASP HA 2 52 VAL H 2.400 . 3.500 2.216 2.159 2.322 . 0 0 "[ . 1 . 2]" 1
233 2 51 ASP HA 2 53 ASP H 4.600 3.000 6.200 3.409 3.188 3.688 . 0 0 "[ . 1 . 2]" 1
234 2 52 VAL HA 2 53 ASP H 4.400 2.300 6.500 3.436 3.407 3.522 . 0 0 "[ . 1 . 2]" 1
235 2 52 VAL HA 2 56 CYS H 4.900 3.200 6.600 4.448 4.161 4.708 . 0 0 "[ . 1 . 2]" 1
236 2 52 VAL H 2 52 VAL HB 2.500 . 4.300 2.853 2.374 3.646 . 0 0 "[ . 1 . 2]" 1
237 2 52 VAL HB 2 53 ASP H 2.900 . 4.300 3.552 2.869 4.112 . 0 0 "[ . 1 . 2]" 1
238 2 52 VAL H 2 52 VAL QG 2.300 . 3.900 2.041 1.725 2.410 . 0 0 "[ . 1 . 2]" 1
239 2 52 VAL QG 2 53 ASP H 3.400 . 5.200 2.937 2.241 3.505 . 0 0 "[ . 1 . 2]" 1
240 2 53 ASP HA 2 54 GLY H 4.200 2.100 6.300 3.564 3.527 3.597 . 0 0 "[ . 1 . 2]" 1
241 2 53 ASP HA 2 56 CYS H 4.400 2.900 5.900 3.490 3.322 3.687 . 0 0 "[ . 1 . 2]" 1
242 2 53 ASP QB 2 54 GLY H 2.600 . 4.000 2.749 2.430 3.479 . 0 0 "[ . 1 . 2]" 1
243 2 53 ASP H 2 53 ASP QB 2.200 . 3.800 2.448 2.276 2.674 . 0 0 "[ . 1 . 2]" 1
244 2 54 GLY QA 2 55 LEU H 4.200 . 6.400 2.725 2.582 2.813 . 0 0 "[ . 1 . 2]" 1
245 2 55 LEU HA 2 58 GLU H 4.500 2.900 6.100 3.406 3.196 3.567 . 0 0 "[ . 1 . 2]" 1
246 2 55 LEU H 2 55 LEU QB 3.300 . 5.300 2.552 2.080 3.056 . 0 0 "[ . 1 . 2]" 1
247 2 55 LEU QB 2 56 CYS H 3.500 . 5.300 3.250 2.860 3.714 . 0 0 "[ . 1 . 2]" 1
248 2 55 LEU QD 2 56 CYS H 4.200 . 6.400 3.400 2.320 4.194 . 0 0 "[ . 1 . 2]" 1
249 2 55 LEU HG 2 56 CYS H 4.600 2.200 7.000 3.468 2.435 5.272 . 0 0 "[ . 1 . 2]" 1
250 2 56 CYS HA 2 59 LEU H 4.900 3.200 6.600 3.772 3.447 4.045 . 0 0 "[ . 1 . 2]" 1
251 2 56 CYS H 2 56 CYS QB 2.600 . 4.400 2.274 2.211 2.407 . 0 0 "[ . 1 . 2]" 1
252 2 56 CYS QB 2 57 SER H 3.200 . 4.900 2.503 2.199 3.351 . 0 0 "[ . 1 . 2]" 1
253 2 57 SER HA 2 58 GLU H 3.100 . 4.600 3.266 3.227 3.379 . 0 0 "[ . 1 . 2]" 1
254 2 57 SER H 2 57 SER QB 3.600 . 6.000 2.498 2.301 2.762 . 0 0 "[ . 1 . 2]" 1
255 2 57 SER QB 2 60 MET H 4.400 2.300 6.500 5.259 5.042 5.392 . 0 0 "[ . 1 . 2]" 1
256 2 58 GLU HA 2 59 LEU H 3.900 . 5.900 3.587 3.542 3.611 . 0 0 "[ . 1 . 2]" 1
257 2 58 GLU H 2 58 GLU QB 2.900 . 4.800 2.374 2.277 2.436 . 0 0 "[ . 1 . 2]" 1
258 2 58 GLU QB 2 59 LEU H 4.000 . 4.800 2.498 2.099 2.775 . 0 0 "[ . 1 . 2]" 1
259 2 58 GLU H 2 58 GLU QG 4.500 . 6.300 3.503 2.635 4.165 . 0 0 "[ . 1 . 2]" 1
260 2 59 LEU HA 2 62 LYS H 4.100 2.700 5.500 3.412 3.184 3.787 . 0 0 "[ . 1 . 2]" 1
261 2 59 LEU H 2 59 LEU QB 3.100 . 5.300 2.278 2.169 2.627 . 0 0 "[ . 1 . 2]" 1
262 2 59 LEU H 2 59 LEU QD 3.300 . 5.700 2.678 2.190 3.822 . 0 0 "[ . 1 . 2]" 1
263 2 59 LEU QD 2 60 MET H 4.800 2.300 7.300 4.024 3.602 4.416 . 0 0 "[ . 1 . 2]" 1
264 2 59 LEU H 2 59 LEU HG 3.800 . 6.400 3.845 2.198 4.484 . 0 0 "[ . 1 . 2]" 1
265 2 60 MET HA 2 61 ALA H 4.000 . 6.000 3.543 3.512 3.567 . 0 0 "[ . 1 . 2]" 1
266 2 60 MET HA 2 63 ALA H 4.100 2.700 5.500 4.057 3.750 4.319 . 0 0 "[ . 1 . 2]" 1
267 2 60 MET H 2 60 MET QB 3.000 . 5.200 2.298 2.209 2.457 . 0 0 "[ . 1 . 2]" 1
268 2 60 MET QB 2 61 ALA H 3.600 . 5.600 2.915 2.725 3.681 . 0 0 "[ . 1 . 2]" 1
269 2 60 MET QG 2 61 ALA H 4.900 2.400 7.300 3.945 2.332 4.425 0.068 15 0 "[ . 1 . 2]" 1
270 2 60 MET H 2 60 MET QG 3.700 . 6.300 3.686 2.286 4.095 . 0 0 "[ . 1 . 2]" 1
271 2 60 MET H 2 61 ALA MB 4.100 . 6.200 4.546 4.368 4.715 . 0 0 "[ . 1 . 2]" 1
272 2 61 ALA HA 2 62 LYS H 3.500 . 5.200 3.409 3.271 3.573 . 0 0 "[ . 1 . 2]" 1
273 2 61 ALA H 2 61 ALA MB 2.000 . 3.400 2.422 2.392 2.432 . 0 0 "[ . 1 . 2]" 1
274 2 61 ALA MB 2 62 LYS H 2.700 . 4.200 3.046 2.607 3.298 . 0 0 "[ . 1 . 2]" 1
275 2 61 ALA MB 2 63 ALA H 3.900 . 5.900 4.155 3.933 4.463 . 0 0 "[ . 1 . 2]" 1
276 2 62 LYS HA 2 63 ALA H 3.300 . 4.800 3.326 3.260 3.390 . 0 0 "[ . 1 . 2]" 1
277 2 62 LYS H 2 62 LYS QB 3.100 . 4.700 2.337 2.149 2.465 . 0 0 "[ . 1 . 2]" 1
278 2 62 LYS QB 2 63 ALA H 4.300 2.100 6.200 3.133 3.026 3.286 . 0 0 "[ . 1 . 2]" 1
279 2 62 LYS H 2 62 LYS QD 4.100 . 6.900 3.830 2.269 4.322 . 0 0 "[ . 1 . 2]" 1
280 2 62 LYS H 2 62 LYS QG 2.600 . 4.400 2.908 2.208 4.138 . 0 0 "[ . 1 . 2]" 1
281 2 62 LYS H 2 63 ALA MB 3.500 . 5.300 3.922 3.654 4.156 . 0 0 "[ . 1 . 2]" 1
282 2 63 ALA HA 2 64 LYS H 2.200 . 3.300 2.219 2.168 2.282 . 0 0 "[ . 1 . 2]" 1
283 2 63 ALA H 2 63 ALA MB 1.900 . 3.300 2.212 2.180 2.234 . 0 0 "[ . 1 . 2]" 1
284 2 63 ALA MB 2 64 LYS H 2.400 . 3.600 2.964 2.731 3.462 . 0 0 "[ . 1 . 2]" 1
285 2 64 LYS HA 2 65 CYS H 2.100 . 3.100 2.278 2.240 2.320 . 0 0 "[ . 1 . 2]" 1
286 2 64 LYS H 2 64 LYS QB 3.500 . 5.400 2.528 2.322 2.671 . 0 0 "[ . 1 . 2]" 1
287 2 64 LYS QB 2 65 CYS H 2.600 . 4.000 3.868 3.697 4.027 0.027 9 0 "[ . 1 . 2]" 1
288 2 64 LYS H 2 70 VAL HB 4.000 2.600 5.400 4.503 2.811 5.362 . 0 0 "[ . 1 . 2]" 1
289 2 64 LYS H 2 70 VAL QG 3.300 . 5.000 2.654 2.039 4.591 . 0 0 "[ . 1 . 2]" 1
290 2 64 LYS H 2 72 ILE MD 4.100 2.100 6.100 3.935 2.563 4.590 . 0 0 "[ . 1 . 2]" 1
291 2 65 CYS HA 2 66 SER H 2.200 . 3.300 2.070 2.037 2.126 . 0 0 "[ . 1 . 2]" 1
292 2 65 CYS H 2 65 CYS QB 3.000 . 4.800 2.288 2.040 2.466 . 0 0 "[ . 1 . 2]" 1
293 2 65 CYS QB 2 66 SER H 4.100 2.100 6.200 3.547 2.947 3.815 . 0 0 "[ . 1 . 2]" 1
294 2 66 SER HA 2 67 GLU H 3.300 . 4.800 2.493 2.476 2.517 . 0 0 "[ . 1 . 2]" 1
295 2 66 SER QB 2 67 GLU H 4.300 2.400 6.500 3.295 2.612 3.489 . 0 0 "[ . 1 . 2]" 1
296 2 66 SER H 2 66 SER QB 3.600 . 6.200 2.729 2.670 3.005 . 0 0 "[ . 1 . 2]" 1
297 2 66 SER H 2 70 VAL QG 4.400 2.300 6.500 4.056 3.290 4.544 . 0 0 "[ . 1 . 2]" 1
298 2 67 GLU HA 2 68 ARG H 3.400 . 5.100 3.486 3.436 3.555 . 0 0 "[ . 1 . 2]" 1
299 2 67 GLU H 2 67 GLU QB 3.300 . 5.500 2.487 2.268 2.676 . 0 0 "[ . 1 . 2]" 1
300 2 67 GLU QB 2 68 ARG H 3.000 . 4.700 3.149 2.692 3.677 . 0 0 "[ . 1 . 2]" 1
301 2 67 GLU QG 2 68 ARG H 3.800 . 5.800 3.421 2.124 4.601 . 0 0 "[ . 1 . 2]" 1
302 2 68 ARG HA 2 69 GLY H 4.100 2.100 6.100 3.082 2.851 3.401 . 0 0 "[ . 1 . 2]" 1
303 2 68 ARG H 2 68 ARG QB 3.500 . 5.400 2.397 2.295 2.605 . 0 0 "[ . 1 . 2]" 1
304 2 68 ARG QB 2 69 GLY H 5.000 2.300 7.700 3.475 3.005 3.813 . 0 0 "[ . 1 . 2]" 1
305 2 68 ARG H 2 68 ARG QD 4.300 . 7.300 4.048 3.080 4.492 . 0 0 "[ . 1 . 2]" 1
306 2 69 GLY QA 2 70 VAL H 2.900 . 4.000 2.387 2.370 2.405 . 0 0 "[ . 1 . 2]" 1
307 2 70 VAL HA 2 71 VAL H 2.000 . 3.000 2.334 2.277 2.443 . 0 0 "[ . 1 . 2]" 1
308 2 70 VAL H 2 70 VAL HB 2.500 . 4.300 2.818 2.285 3.569 . 0 0 "[ . 1 . 2]" 1
309 2 70 VAL HB 2 71 VAL H 3.600 . 5.400 3.761 2.574 4.193 . 0 0 "[ . 1 . 2]" 1
310 2 70 VAL H 2 70 VAL QG 2.500 . 4.300 1.819 1.687 2.315 . 0 0 "[ . 1 . 2]" 1
311 2 70 VAL QG 2 71 VAL H 2.900 . 4.300 2.545 1.894 3.491 . 0 0 "[ . 1 . 2]" 1
312 2 71 VAL HA 2 72 ILE H 2.200 . 3.300 2.208 2.151 2.277 . 0 0 "[ . 1 . 2]" 1
313 2 71 VAL HB 2 72 ILE H 2.600 . 3.900 3.220 2.997 4.018 0.118 5 0 "[ . 1 . 2]" 1
314 2 71 VAL H 2 71 VAL QG 3.500 . 3.800 2.118 1.974 2.662 . 0 0 "[ . 1 . 2]" 1
315 2 71 VAL QG 2 72 ILE H 2.900 . 4.400 3.288 2.230 3.493 . 0 0 "[ . 1 . 2]" 1
316 2 72 ILE HA 2 73 ASN H 2.400 2.300 3.700 2.309 2.240 2.377 0.060 5 0 "[ . 1 . 2]" 1
317 2 72 ILE H 2 72 ILE HB 3.400 . 5.800 2.699 2.638 2.822 . 0 0 "[ . 1 . 2]" 1
318 2 72 ILE H 2 72 ILE MD 3.600 . 6.200 3.804 3.132 4.084 . 0 0 "[ . 1 . 2]" 1
319 2 72 ILE H 2 72 ILE QG 3.900 . 6.700 2.781 2.292 3.158 . 0 0 "[ . 1 . 2]" 1
320 2 72 ILE H 2 72 ILE MG 4.200 . 7.200 3.878 3.821 3.919 . 0 0 "[ . 1 . 2]" 1
321 2 72 ILE MG 2 73 ASN H 2.800 . 4.300 2.187 1.907 2.589 . 0 0 "[ . 1 . 2]" 1
322 2 72 ILE MG 2 76 ASP H 3.600 . 5.400 3.376 3.142 3.802 . 0 0 "[ . 1 . 2]" 1
323 2 72 ILE MG 2 77 VAL H 3.700 . 5.500 3.058 2.476 3.740 . 0 0 "[ . 1 . 2]" 1
324 2 73 ASN HA 2 74 ALA H 2.400 . 3.500 2.166 2.116 2.216 . 0 0 "[ . 1 . 2]" 1
325 2 73 ASN HA 2 75 GLU H 4.400 2.900 5.900 3.667 3.514 3.762 . 0 0 "[ . 1 . 2]" 1
326 2 73 ASN H 2 73 ASN QB 3.000 . 5.200 2.483 2.318 2.826 . 0 0 "[ . 1 . 2]" 1
327 2 73 ASN QB 2 74 ALA H 4.100 . 6.200 3.265 2.987 3.709 . 0 0 "[ . 1 . 2]" 1
328 2 73 ASN QB 2 75 GLU H 3.300 . 4.800 2.558 2.444 2.911 . 0 0 "[ . 1 . 2]" 1
329 2 73 ASN QB 2 76 ASP H 2.900 . 4.300 3.253 2.931 3.953 . 0 0 "[ . 1 . 2]" 1
330 2 74 ALA HA 2 75 GLU H 3.800 . 5.600 3.405 3.378 3.432 . 0 0 "[ . 1 . 2]" 1
331 2 74 ALA HA 2 77 VAL H 3.400 2.200 4.600 3.555 3.140 3.911 . 0 0 "[ . 1 . 2]" 1
332 2 74 ALA H 2 74 ALA MB 2.100 . 3.500 2.190 2.043 2.248 . 0 0 "[ . 1 . 2]" 1
333 2 74 ALA MB 2 75 GLU H 2.200 . 3.400 3.118 3.039 3.216 . 0 0 "[ . 1 . 2]" 1
334 2 75 GLU HA 2 76 ASP H 3.200 . 4.700 3.482 3.436 3.543 . 0 0 "[ . 1 . 2]" 1
335 2 75 GLU HA 2 77 VAL H 4.500 2.900 6.100 4.777 4.117 5.189 . 0 0 "[ . 1 . 2]" 1
336 2 75 GLU H 2 75 GLU QB 1.900 . 3.300 2.371 2.296 2.800 . 0 0 "[ . 1 . 2]" 1
337 2 75 GLU QB 2 76 ASP H 2.500 . 3.900 3.089 2.948 3.660 . 0 0 "[ . 1 . 2]" 1
338 2 75 GLU H 2 75 GLU QG 2.400 . 4.000 3.465 1.791 4.089 0.089 10 0 "[ . 1 . 2]" 1
339 2 75 GLU QG 2 76 ASP H 3.400 . 5.200 4.110 2.425 4.800 . 0 0 "[ . 1 . 2]" 1
340 2 76 ASP HA 2 77 VAL H 3.500 . 5.200 3.565 3.476 3.602 . 0 0 "[ . 1 . 2]" 1
341 2 76 ASP HA 2 79 LEU H 4.100 2.700 5.500 3.373 3.163 3.608 . 0 0 "[ . 1 . 2]" 1
342 2 76 ASP H 2 76 ASP QB 2.600 . 4.400 2.429 2.302 2.582 . 0 0 "[ . 1 . 2]" 1
343 2 76 ASP QB 2 77 VAL H 4.200 . 6.400 2.474 2.203 2.898 . 0 0 "[ . 1 . 2]" 1
344 2 76 ASP H 2 77 VAL HA 4.600 2.400 6.800 5.141 4.984 5.219 . 0 0 "[ . 1 . 2]" 1
345 2 76 ASP H 2 77 VAL QG 3.700 . 5.700 3.246 3.067 3.456 . 0 0 "[ . 1 . 2]" 1
346 2 77 VAL HA 2 78 GLN H 4.000 . 6.000 3.570 3.476 3.605 . 0 0 "[ . 1 . 2]" 1
347 2 77 VAL H 2 77 VAL HB 2.500 . 4.300 2.894 2.408 3.660 . 0 0 "[ . 1 . 2]" 1
348 2 77 VAL HB 2 78 GLN H 2.700 . 4.000 3.913 3.739 4.121 0.121 1 0 "[ . 1 . 2]" 1
349 2 77 VAL H 2 77 VAL QG 2.200 . 3.800 1.886 1.736 2.271 . 0 0 "[ . 1 . 2]" 1
350 2 77 VAL QG 2 78 GLN H 3.500 . 4.800 1.799 1.664 2.072 0.036 9 0 "[ . 1 . 2]" 1
351 2 77 VAL QG 2 81 LEU H 4.700 2.300 7.100 3.561 3.003 4.440 . 0 0 "[ . 1 . 2]" 1
352 2 78 GLN HA 2 81 LEU H 3.700 2.400 5.000 3.554 3.440 3.839 . 0 0 "[ . 1 . 2]" 1
353 2 78 GLN H 2 78 GLN QB 2.100 . 3.500 2.332 2.260 2.435 . 0 0 "[ . 1 . 2]" 1
354 2 78 GLN QB 2 79 LEU H 3.100 . 4.800 2.766 2.628 3.521 . 0 0 "[ . 1 . 2]" 1
355 2 78 GLN H 2 78 GLN QG 2.700 . 4.500 3.221 2.174 4.113 . 0 0 "[ . 1 . 2]" 1
356 2 78 GLN QG 2 79 LEU H 3.900 . 6.000 4.022 2.001 4.406 . 0 0 "[ . 1 . 2]" 1
357 2 79 LEU HA 2 80 ALA H 3.800 . 5.600 3.467 3.437 3.507 . 0 0 "[ . 1 . 2]" 1
358 2 79 LEU HA 2 82 ASN H 4.100 2.700 5.500 3.836 3.137 4.640 . 0 0 "[ . 1 . 2]" 1
359 2 79 LEU H 2 79 LEU QB 3.000 . 4.300 2.330 2.166 2.515 . 0 0 "[ . 1 . 2]" 1
360 2 79 LEU QB 2 80 ALA H 3.000 . 4.400 3.014 2.898 3.126 . 0 0 "[ . 1 . 2]" 1
361 2 79 LEU H 2 79 LEU QD 3.400 . 5.800 3.231 2.213 3.807 . 0 0 "[ . 1 . 2]" 1
362 2 79 LEU H 2 80 ALA MB 4.100 . 6.200 4.148 4.085 4.251 . 0 0 "[ . 1 . 2]" 1
363 2 80 ALA H 2 80 ALA MB 1.900 . 3.300 2.323 2.281 2.342 . 0 0 "[ . 1 . 2]" 1
364 2 80 ALA MB 2 81 LEU H 2.600 . 4.000 2.586 2.216 2.857 . 0 0 "[ . 1 . 2]" 1
365 2 81 LEU H 2 81 LEU QB 2.700 . 4.700 2.393 2.276 2.524 . 0 0 "[ . 1 . 2]" 1
366 2 81 LEU QB 2 82 ASN H 3.400 . 5.000 2.608 1.935 2.986 . 0 0 "[ . 1 . 2]" 1
367 2 81 LEU H 2 81 LEU QD 3.400 . 5.800 3.194 3.024 3.409 . 0 0 "[ . 1 . 2]" 1
368 2 81 LEU H 2 81 LEU HG 3.000 . 5.000 2.472 2.169 2.838 . 0 0 "[ . 1 . 2]" 1
369 2 81 LEU HG 2 82 ASN H 4.500 2.100 6.900 4.419 3.994 4.711 . 0 0 "[ . 1 . 2]" 1
370 2 82 ASN HA 2 83 LYS H 3.900 . 5.900 3.410 3.356 3.457 . 0 0 "[ . 1 . 2]" 1
371 2 82 ASN H 2 82 ASN QB 2.200 . 3.800 2.423 2.279 2.698 . 0 0 "[ . 1 . 2]" 1
372 2 82 ASN QB 2 83 LYS H 3.000 . 4.700 3.232 3.064 3.794 . 0 0 "[ . 1 . 2]" 1
373 2 83 LYS HA 2 84 HIS H 3.300 . 4.800 3.280 2.382 3.571 . 0 0 "[ . 1 . 2]" 1
374 2 83 LYS H 2 83 LYS QB 2.400 . 4.000 2.328 2.113 2.577 . 0 0 "[ . 1 . 2]" 1
375 2 83 LYS QB 2 84 HIS H 3.400 . 5.200 2.982 1.823 3.788 . 0 0 "[ . 1 . 2]" 1
376 2 83 LYS H 2 83 LYS QG 3.500 . 5.900 3.643 2.207 4.038 . 0 0 "[ . 1 . 2]" 1
377 2 84 HIS HA 2 85 MET H 3.400 . 5.100 3.120 2.901 3.236 . 0 0 "[ . 1 . 2]" 1
378 2 84 HIS H 2 84 HIS QB 3.500 . 5.400 2.638 2.384 3.496 . 0 0 "[ . 1 . 2]" 1
379 2 85 MET HA 2 86 ASN H 2.100 . 3.100 2.224 2.180 2.263 . 0 0 "[ . 1 . 2]" 1
380 2 85 MET H 2 85 MET QB 2.700 . 4.500 2.349 2.277 2.429 . 0 0 "[ . 1 . 2]" 1
381 2 85 MET QB 2 86 ASN H 3.600 . 5.400 3.612 2.951 3.988 . 0 0 "[ . 1 . 2]" 1
382 2 85 MET H 2 85 MET QG 2.900 . 4.900 3.420 2.512 4.128 . 0 0 "[ . 1 . 2]" 1
383 2 85 MET QG 2 86 ASN H 3.700 . 5.700 3.655 2.324 4.675 . 0 0 "[ . 1 . 2]" 1
384 1 21 VAL HA 1 22 SER QB 2.700 . 4.100 4.307 4.106 4.435 0.335 17 0 "[ . 1 . 2]" 1
385 1 22 SER HA 1 25 CYS QB 3.200 . 4.300 4.058 3.496 4.433 0.133 4 0 "[ . 1 . 2]" 1
386 1 22 SER QB 1 24 PHE HA 3.800 . 5.600 5.716 5.123 5.837 0.237 19 0 "[ . 1 . 2]" 1
387 1 23 GLU HA 1 23 GLU QG 3.300 . 4.800 2.770 2.305 3.431 . 0 0 "[ . 1 . 2]" 1
388 1 23 GLU HA 1 26 SER QB 3.000 . 4.100 2.659 2.209 3.672 . 0 0 "[ . 1 . 2]" 1
389 1 23 GLU QB 1 27 LYS QE 4.500 2.300 6.100 4.518 2.599 6.127 0.027 3 0 "[ . 1 . 2]" 1
390 1 24 PHE HA 1 24 PHE QD 3.500 . 5.200 2.788 2.335 3.069 . 0 0 "[ . 1 . 2]" 1
391 1 24 PHE HA 1 27 LYS QB 3.900 . 5.300 3.874 3.380 4.381 . 0 0 "[ . 1 . 2]" 1
392 1 24 PHE HA 1 27 LYS QD 4.500 2.300 6.100 5.033 3.909 6.136 0.036 17 0 "[ . 1 . 2]" 1
393 1 24 PHE QD 1 28 MET QB 5.100 2.600 6.900 4.031 2.571 5.001 0.029 19 0 "[ . 1 . 2]" 1
394 1 24 PHE QD 1 28 MET ME 4.500 2.300 6.100 4.015 3.099 5.672 . 0 0 "[ . 1 . 2]" 1
395 1 24 PHE QD 2 37 ILE MG 4.600 2.400 6.200 6.047 5.366 6.244 0.044 13 0 "[ . 1 . 2]" 1
396 1 24 PHE QD 2 56 CYS QB 5.100 2.600 6.900 4.776 3.854 5.964 . 0 0 "[ . 1 . 2]" 1
397 1 24 PHE QE 1 28 MET ME 3.900 . 5.300 2.772 2.069 4.606 . 0 0 "[ . 1 . 2]" 1
398 1 24 PHE QE 2 34 CYS HA 4.800 2.400 6.500 3.778 2.826 4.830 . 0 0 "[ . 1 . 2]" 1
399 1 24 PHE QE 2 37 ILE HB 4.900 2.500 6.600 4.827 3.938 5.930 . 0 0 "[ . 1 . 2]" 1
400 1 24 PHE QE 2 37 ILE MD 4.800 2.600 6.400 5.480 3.985 6.374 . 0 0 "[ . 1 . 2]" 1
401 1 24 PHE QE 2 37 ILE MG 3.800 . 5.200 4.591 3.809 5.181 . 0 0 "[ . 1 . 2]" 1
402 1 24 PHE QE 2 41 ILE MD 4.600 2.400 6.200 5.621 4.448 6.230 0.030 1 0 "[ . 1 . 2]" 1
403 1 24 PHE QE 2 52 VAL QG 4.300 2.100 5.900 3.626 2.377 5.696 . 0 0 "[ . 1 . 2]" 1
404 1 24 PHE QE 2 55 LEU QD 4.600 2.400 6.200 4.044 2.860 4.778 . 0 0 "[ . 1 . 2]" 1
405 1 24 PHE QE 2 55 LEU HG 4.100 2.100 5.500 5.493 5.084 5.620 0.120 2 0 "[ . 1 . 2]" 1
406 1 24 PHE QE 2 56 CYS HA 5.200 2.700 7.000 3.641 2.693 4.476 0.007 14 0 "[ . 1 . 2]" 1
407 1 24 PHE QE 2 56 CYS QB 4.800 2.400 6.500 3.430 2.474 4.415 . 0 0 "[ . 1 . 2]" 1
408 1 24 PHE QE 2 59 LEU QD 4.600 2.400 6.200 4.089 3.162 4.879 . 0 0 "[ . 1 . 2]" 1
409 1 24 PHE HZ 1 28 MET ME 4.000 . 5.400 3.427 2.544 4.707 . 0 0 "[ . 1 . 2]" 1
410 1 24 PHE HZ 2 37 ILE MG 3.900 . 5.300 4.650 3.968 5.327 0.027 19 0 "[ . 1 . 2]" 1
411 1 24 PHE HZ 2 41 ILE MD 4.500 2.300 6.100 5.641 4.435 6.143 0.043 17 0 "[ . 1 . 2]" 1
412 1 24 PHE HZ 2 55 LEU QD 4.800 2.400 6.500 3.734 2.396 4.623 0.004 15 0 "[ . 1 . 2]" 1
413 1 24 PHE HZ 2 59 LEU QD 4.300 2.200 5.800 3.791 2.689 4.724 . 0 0 "[ . 1 . 2]" 1
414 1 26 SER HA 1 29 ASN QB 4.500 2.300 6.100 3.629 3.213 4.566 . 0 0 "[ . 1 . 2]" 1
415 1 27 LYS HA 1 27 LYS QD 3.900 . 5.900 3.754 2.293 4.270 . 0 0 "[ . 1 . 2]" 1
416 1 27 LYS HA 1 27 LYS QE 4.000 . 6.000 4.404 3.862 4.761 . 0 0 "[ . 1 . 2]" 1
417 1 27 LYS HA 1 27 LYS QG 3.500 . 4.800 2.434 2.242 2.794 . 0 0 "[ . 1 . 2]" 1
418 1 27 LYS HA 1 30 GLN QG 4.000 . 5.400 3.819 2.081 4.355 . 0 0 "[ . 1 . 2]" 1
419 1 27 LYS QB 1 27 LYS QD 3.200 . 4.700 2.220 2.120 2.393 . 0 0 "[ . 1 . 2]" 1
420 1 27 LYS QB 1 27 LYS QE 3.700 . 5.500 2.882 2.010 3.652 . 0 0 "[ . 1 . 2]" 1
421 1 27 LYS QE 1 27 LYS QG 3.200 . 4.700 2.375 2.111 2.915 . 0 0 "[ . 1 . 2]" 1
422 1 27 LYS QE 2 60 MET ME 3.800 . 5.100 4.065 2.260 5.126 0.026 10 0 "[ . 1 . 2]" 1
423 1 27 LYS QG 2 60 MET ME 4.300 2.300 5.800 3.812 2.449 5.334 . 0 0 "[ . 1 . 2]" 1
424 1 28 MET HA 1 28 MET ME 3.800 . 5.600 4.084 3.671 4.405 . 0 0 "[ . 1 . 2]" 1
425 1 28 MET HA 1 28 MET QG 3.500 . 5.200 2.386 2.227 2.654 . 0 0 "[ . 1 . 2]" 1
426 1 28 MET HA 1 31 VAL HA 5.000 2.500 7.500 5.930 5.718 6.176 . 0 0 "[ . 1 . 2]" 1
427 1 28 MET HA 1 31 VAL QG 3.900 2.300 5.300 2.701 2.411 3.707 . 0 0 "[ . 1 . 2]" 1
428 1 28 MET HA 2 60 MET QB 4.700 2.500 6.300 4.168 3.085 4.801 . 0 0 "[ . 1 . 2]" 1
429 1 28 MET HA 2 60 MET ME 3.300 . 4.400 3.479 2.578 4.281 . 0 0 "[ . 1 . 2]" 1
430 1 28 MET HA 2 60 MET QG 4.300 2.300 5.800 2.838 2.237 5.180 0.063 4 0 "[ . 1 . 2]" 1
431 1 28 MET HA 2 70 VAL QG 4.600 2.400 6.100 4.198 3.701 4.982 . 0 0 "[ . 1 . 2]" 1
432 1 28 MET QB 1 28 MET ME 3.200 . 4.700 2.806 2.133 3.532 . 0 0 "[ . 1 . 2]" 1
433 1 28 MET QB 2 72 ILE MD 4.100 2.100 5.500 5.031 4.219 5.573 0.073 15 0 "[ . 1 . 2]" 1
434 1 28 MET ME 1 31 VAL QG 4.600 2.400 6.200 4.652 3.873 5.243 . 0 0 "[ . 1 . 2]" 1
435 1 28 MET ME 2 34 CYS HA 4.400 2.300 5.900 2.829 2.259 3.455 0.041 1 0 "[ . 1 . 2]" 1
436 1 28 MET ME 2 56 CYS HA 3.500 . 4.700 4.261 3.224 4.730 0.030 1 0 "[ . 1 . 2]" 1
437 1 28 MET ME 2 56 CYS QB 4.500 2.400 6.100 5.568 4.771 6.138 0.038 10 0 "[ . 1 . 2]" 1
438 1 28 MET ME 2 59 LEU HA 4.200 2.100 5.700 4.232 3.752 5.199 . 0 0 "[ . 1 . 2]" 1
439 1 28 MET ME 2 59 LEU QB 3.600 . 4.900 2.241 1.964 3.289 . 0 0 "[ . 1 . 2]" 1
440 1 28 MET ME 2 59 LEU QD 3.700 . 4.500 2.638 1.885 3.390 0.015 4 0 "[ . 1 . 2]" 1
441 1 28 MET ME 2 60 MET HA 3.800 . 5.200 3.072 2.159 3.816 . 0 0 "[ . 1 . 2]" 1
442 1 28 MET ME 2 60 MET QB 4.600 2.400 6.200 3.803 2.883 4.988 . 0 0 "[ . 1 . 2]" 1
443 1 28 MET ME 2 60 MET QG 4.000 . 5.400 4.056 2.074 5.059 . 0 0 "[ . 1 . 2]" 1
444 1 28 MET ME 2 63 ALA HA 5.000 2.600 6.700 4.922 4.133 5.789 . 0 0 "[ . 1 . 2]" 1
445 1 28 MET ME 2 63 ALA MB 3.400 . 4.600 3.778 3.039 4.535 . 0 0 "[ . 1 . 2]" 1
446 1 28 MET ME 2 70 VAL QG 3.100 . 4.200 3.484 2.699 4.205 0.005 6 0 "[ . 1 . 2]" 1
447 1 28 MET ME 2 72 ILE MD 2.500 . 3.400 2.814 1.955 3.448 0.048 5 0 "[ . 1 . 2]" 1
448 1 28 MET ME 2 72 ILE QG 4.700 2.500 6.300 4.160 3.310 4.922 . 0 0 "[ . 1 . 2]" 1
449 1 28 MET ME 2 72 ILE MG 3.800 . 5.100 4.873 4.291 5.165 0.065 4 0 "[ . 1 . 2]" 1
450 1 29 ASN HA 1 32 CYS QB . 2.500 3.900 3.938 3.594 4.061 0.161 7 0 "[ . 1 . 2]" 1
451 1 29 ASN HA 2 70 VAL HB 3.900 2.100 5.700 3.587 2.549 4.878 . 0 0 "[ . 1 . 2]" 1
452 1 29 ASN HA 2 70 VAL QG 3.000 . 4.100 2.816 2.045 3.535 . 0 0 "[ . 1 . 2]" 1
453 1 29 ASN QB 2 70 VAL QG 4.400 2.500 6.000 3.622 2.772 4.395 . 0 0 "[ . 1 . 2]" 1
454 1 30 GLN HA 1 30 GLN QG 3.200 . 4.700 2.546 2.247 3.061 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLN QB 1 31 VAL QG 4.400 . 6.500 3.319 3.159 4.163 . 0 0 "[ . 1 . 2]" 1
456 1 30 GLN QB 2 60 MET ME 3.600 . 4.800 3.672 3.194 4.698 . 0 0 "[ . 1 . 2]" 1
457 1 30 GLN QG 2 60 MET ME 4.800 2.400 6.500 4.396 3.168 5.505 . 0 0 "[ . 1 . 2]" 1
458 1 31 VAL HA 1 31 VAL QG 2.700 . 3.800 2.138 2.061 2.411 . 0 0 "[ . 1 . 2]" 1
459 1 31 VAL HA 2 60 MET ME 4.500 2.300 6.100 4.379 2.422 5.545 . 0 0 "[ . 1 . 2]" 1
460 1 31 VAL HB 2 60 MET ME 4.200 2.100 5.700 5.024 2.407 5.733 0.033 3 0 "[ . 1 . 2]" 1
461 1 31 VAL HB 2 63 ALA HA 3.900 . 5.900 5.993 5.920 6.156 0.256 9 0 "[ . 1 . 2]" 1
462 1 31 VAL HB 2 63 ALA MB 4.500 2.300 6.100 3.019 2.926 3.117 . 0 0 "[ . 1 . 2]" 1
463 1 31 VAL QG 2 60 MET HA 3.700 . 5.000 3.300 2.588 3.862 . 0 0 "[ . 1 . 2]" 1
464 1 31 VAL QG 2 60 MET QB 3.800 . 5.100 3.677 2.356 4.591 . 0 0 "[ . 1 . 2]" 1
465 1 31 VAL QG 2 60 MET ME 2.800 . 3.700 2.629 2.033 3.079 . 0 0 "[ . 1 . 2]" 1
466 1 31 VAL QG 2 60 MET QG 4.000 2.500 5.400 2.689 2.300 3.897 0.200 3 0 "[ . 1 . 2]" 1
467 1 31 VAL QG 2 63 ALA HA 5.200 2.700 7.000 4.583 4.060 4.959 . 0 0 "[ . 1 . 2]" 1
468 1 31 VAL QG 2 63 ALA MB 2.500 . 3.400 2.235 1.848 2.576 . 0 0 "[ . 1 . 2]" 1
469 1 31 VAL QG 2 64 LYS HA 5.000 2.600 6.700 5.184 4.180 5.980 . 0 0 "[ . 1 . 2]" 1
470 1 31 VAL QG 1 32 CYS HA 4.100 . 6.100 3.766 3.142 4.008 . 0 0 "[ . 1 . 2]" 1
471 1 32 CYS HA 1 33 GLY QA 5.000 . 7.500 4.401 4.304 4.526 . 0 0 "[ . 1 . 2]" 1
472 1 32 CYS HA 2 65 CYS QB 4.500 2.300 5.800 3.013 2.360 4.023 . 0 0 "[ . 1 . 2]" 1
473 1 32 CYS QB 2 65 CYS QB 4.800 2.400 6.400 3.419 2.382 4.247 0.018 13 0 "[ . 1 . 2]" 1
474 1 32 CYS QB 2 70 VAL QG 4.500 2.300 6.100 4.704 3.582 5.598 . 0 0 "[ . 1 . 2]" 1
475 1 33 GLY QA 1 34 THR HA 4.800 . 7.200 4.062 4.021 4.095 . 0 0 "[ . 1 . 2]" 1
476 1 34 THR HA 1 34 THR MG 2.800 . 4.200 2.528 2.256 3.189 . 0 0 "[ . 1 . 2]" 1
477 1 35 ARG HA 1 35 ARG QD 4.400 . 6.500 3.712 2.203 4.487 . 0 0 "[ . 1 . 2]" 1
478 2 13 ASN HA 2 14 GLY QA 4.800 . 7.200 4.138 3.957 4.478 . 0 0 "[ . 1 . 2]" 1
479 2 27 LYS QG 2 29 GLY QA 3.500 . 5.200 4.523 3.541 5.234 0.034 12 0 "[ . 1 . 2]" 1
480 2 29 GLY QA 2 74 ALA MB 4.900 2.500 6.600 2.544 2.468 2.837 0.032 18 0 "[ . 1 . 2]" 1
481 2 29 GLY QA 2 75 GLU QG 4.900 2.500 6.600 4.492 2.497 5.952 0.003 16 0 "[ . 1 . 2]" 1
482 2 30 SER HA 2 32 LEU QD 4.700 2.300 7.100 4.463 4.227 4.731 . 0 0 "[ . 1 . 2]" 1
483 2 30 SER QB 2 31 LEU QB 2.600 . 3.900 4.097 4.022 4.165 0.265 18 0 "[ . 1 . 2]" 1
484 2 30 SER QB 2 32 LEU QD 3.600 2.500 5.300 2.768 2.527 3.548 . 0 0 "[ . 1 . 2]" 1
485 2 30 SER QB 2 74 ALA MB 2.700 . 3.600 3.321 2.937 3.636 0.036 17 0 "[ . 1 . 2]" 1
486 2 31 LEU HA 2 31 LEU QD 3.800 . 3.800 2.200 2.004 3.077 . 0 0 "[ . 1 . 2]" 1
487 2 31 LEU HA 2 31 LEU HG 3.800 . 5.800 3.080 2.443 3.715 . 0 0 "[ . 1 . 2]" 1
488 2 31 LEU HA 2 71 VAL HB 4.600 2.400 6.800 3.860 3.051 5.984 . 0 0 "[ . 1 . 2]" 1
489 2 31 LEU HA 2 71 VAL QG 4.400 2.300 5.900 3.947 3.062 4.704 . 0 0 "[ . 1 . 2]" 1
490 2 31 LEU QB 2 71 VAL HB 3.700 . 4.900 2.748 2.293 4.499 . 0 0 "[ . 1 . 2]" 1
491 2 31 LEU QB 2 71 VAL QG 4.200 2.200 5.600 2.703 2.186 4.152 0.014 5 0 "[ . 1 . 2]" 1
492 2 31 LEU QB 2 32 LEU QD 3.200 . 4.700 4.347 4.198 4.623 . 0 0 "[ . 1 . 2]" 1
493 2 31 LEU MD1 2 31 LEU MD2 2.400 . 3.700 2.049 2.010 2.076 . 0 0 "[ . 1 . 2]" 1
494 2 31 LEU QD 2 32 LEU HG 3.200 . 4.700 4.744 4.565 4.911 0.211 18 0 "[ . 1 . 2]" 1
495 2 31 LEU HG 2 71 VAL QG 4.500 2.300 6.100 3.424 2.542 4.718 . 0 0 "[ . 1 . 2]" 1
496 2 32 LEU HA 2 32 LEU QD 2.500 . 3.800 3.111 2.308 3.305 . 0 0 "[ . 1 . 2]" 1
497 2 32 LEU HA 2 32 LEU HG 3.800 . 5.800 2.803 2.593 3.156 . 0 0 "[ . 1 . 2]" 1
498 2 32 LEU HA 2 37 ILE MD 4.900 2.400 6.700 4.587 4.196 5.805 . 0 0 "[ . 1 . 2]" 1
499 2 32 LEU QB 2 37 ILE MD 4.000 2.200 5.400 2.295 2.112 3.338 0.088 20 0 "[ . 1 . 2]" 1
500 2 32 LEU QB 2 37 ILE QG 4.100 2.400 5.500 3.826 2.336 4.228 0.064 5 0 "[ . 1 . 2]" 1
501 2 32 LEU QB 2 77 VAL MG1 4.500 2.300 6.100 4.158 3.390 4.630 . 0 0 "[ . 1 . 2]" 1
502 2 32 LEU QB 2 36 GLU QB 4.700 2.500 6.300 2.504 2.323 2.878 0.177 5 0 "[ . 1 . 2]" 1
503 2 32 LEU MD1 2 32 LEU MD2 2.600 . 3.900 2.070 2.061 2.084 . 0 0 "[ . 1 . 2]" 1
504 2 32 LEU QD 2 36 GLU QB 3.700 2.500 5.000 3.624 2.779 3.864 . 0 0 "[ . 1 . 2]" 1
505 2 32 LEU QD 2 36 GLU QG 4.300 2.200 5.800 3.360 2.148 5.097 0.052 17 0 "[ . 1 . 2]" 1
506 2 32 LEU QD 2 72 ILE HA 4.200 2.100 5.700 4.900 4.295 5.446 . 0 0 "[ . 1 . 2]" 1
507 2 32 LEU QD 2 72 ILE MG 2.800 . 3.800 3.679 3.263 3.840 0.040 6 0 "[ . 1 . 2]" 1
508 2 32 LEU QD 2 73 ASN HA 2.400 . 3.300 3.197 2.925 3.396 0.096 19 0 "[ . 1 . 2]" 1
509 2 32 LEU QD 2 73 ASN QB 3.500 . 4.700 4.516 4.331 4.746 0.046 11 0 "[ . 1 . 2]" 1
510 2 32 LEU QD 2 74 ALA HA 3.300 2.300 4.000 2.462 2.241 2.742 0.059 8 0 "[ . 1 . 2]" 1
511 2 32 LEU QD 2 74 ALA MB 2.500 . 3.400 2.174 1.952 2.412 . 0 0 "[ . 1 . 2]" 1
512 2 32 LEU QD 2 37 ILE HA 4.100 2.100 5.500 3.734 3.100 4.415 . 0 0 "[ . 1 . 2]" 1
513 2 32 LEU QD 2 37 ILE MD 3.800 . 5.200 2.581 2.043 3.717 . 0 0 "[ . 1 . 2]" 1
514 2 32 LEU QD 2 37 ILE QG 4.200 2.100 5.700 3.411 2.872 3.847 . 0 0 "[ . 1 . 2]" 1
515 2 32 LEU QD 2 40 ARG QD 4.000 2.100 5.400 3.298 2.090 4.935 0.010 15 0 "[ . 1 . 2]" 1
516 2 32 LEU QD 2 40 ARG QG 4.000 . 5.400 3.422 2.382 4.714 . 0 0 "[ . 1 . 2]" 1
517 2 32 LEU QD 2 77 VAL HB 4.000 . 5.400 4.355 3.782 4.992 . 0 0 "[ . 1 . 2]" 1
518 2 32 LEU QD 2 77 VAL MG1 3.000 . 4.000 2.759 2.509 3.244 . 0 0 "[ . 1 . 2]" 1
519 2 32 LEU QD 2 77 VAL MG2 3.200 . 4.300 3.754 2.472 4.323 0.023 15 0 "[ . 1 . 2]" 1
520 2 32 LEU HG 2 37 ILE MD 4.800 2.400 6.500 4.586 4.237 5.909 . 0 0 "[ . 1 . 2]" 1
521 2 32 LEU HG 2 74 ALA HA 4.200 2.200 6.200 5.211 4.700 5.668 . 0 0 "[ . 1 . 2]" 1
522 2 32 LEU HG 2 74 ALA MB 3.300 . 4.400 4.121 3.339 4.445 0.045 16 0 "[ . 1 . 2]" 1
523 2 33 ARG HA 2 33 ARG QD 3.800 . 5.800 3.531 2.257 4.321 . 0 0 "[ . 1 . 2]" 1
524 2 33 ARG HA 2 33 ARG QG 3.600 . 5.400 2.531 2.216 3.261 . 0 0 "[ . 1 . 2]" 1
525 2 33 ARG HA 2 37 ILE MD 5.000 2.600 6.700 4.671 4.219 5.261 . 0 0 "[ . 1 . 2]" 1
526 2 33 ARG HA 2 71 VAL HA 3.300 . 5.000 2.914 2.302 3.626 . 0 0 "[ . 1 . 2]" 1
527 2 33 ARG HA 2 71 VAL HB 5.100 2.600 7.600 5.217 4.323 5.827 . 0 0 "[ . 1 . 2]" 1
528 2 33 ARG HA 2 71 VAL QG 3.000 . 4.100 3.831 3.109 4.137 0.037 20 0 "[ . 1 . 2]" 1
529 2 33 ARG QB 2 71 VAL QG 4.400 2.300 6.000 4.330 3.596 5.327 . 0 0 "[ . 1 . 2]" 1
530 2 33 ARG QD 2 71 VAL QG 3.300 . 4.400 3.600 2.322 4.437 0.037 4 0 "[ . 1 . 2]" 1
531 2 33 ARG QG 2 71 VAL QG 3.500 . 4.700 3.208 2.261 4.724 0.024 8 0 "[ . 1 . 2]" 1
532 2 34 CYS HA 2 37 ILE HB 4.000 . 6.000 4.117 3.629 4.677 . 0 0 "[ . 1 . 2]" 1
533 2 34 CYS HA 2 37 ILE MD 3.100 . 4.200 3.799 3.065 4.222 0.022 20 0 "[ . 1 . 2]" 1
534 2 34 CYS HA 2 37 ILE MG 4.300 2.200 5.800 5.246 4.871 5.767 . 0 0 "[ . 1 . 2]" 1
535 2 35 SER HA 2 38 TRP QB 4.900 2.500 6.600 2.457 2.408 2.603 0.092 5 0 "[ . 1 . 2]" 1
536 2 36 GLU HA 2 36 GLU QG 3.000 . 4.500 2.526 2.259 2.733 . 0 0 "[ . 1 . 2]" 1
537 2 36 GLU HA 2 39 ASP QB 3.200 . 4.300 3.818 3.202 4.106 . 0 0 "[ . 1 . 2]" 1
538 2 36 GLU QB 2 59 LEU QD 3.900 . 5.300 5.427 5.338 5.533 0.233 5 0 "[ . 1 . 2]" 1
539 2 37 ILE HA 2 37 ILE MD 3.700 . 5.500 2.439 2.249 3.716 . 0 0 "[ . 1 . 2]" 1
540 2 37 ILE HA 2 37 ILE QG 3.700 . 5.500 2.249 2.172 2.295 . 0 0 "[ . 1 . 2]" 1
541 2 37 ILE HA 2 37 ILE MG 3.100 . 4.600 2.841 2.758 2.974 . 0 0 "[ . 1 . 2]" 1
542 2 37 ILE HA 2 40 ARG HA 5.200 2.700 7.700 4.740 4.646 4.829 . 0 0 "[ . 1 . 2]" 1
543 2 37 ILE HA 2 40 ARG QB 4.900 2.500 6.600 2.495 2.291 2.722 0.209 9 0 "[ . 1 . 2]" 1
544 2 37 ILE HA 2 40 ARG QG 4.200 2.100 5.700 3.179 2.081 4.513 0.019 14 0 "[ . 1 . 2]" 1
545 2 37 ILE HB 2 37 ILE MD 3.400 . 4.900 2.287 2.233 2.356 . 0 0 "[ . 1 . 2]" 1
546 2 37 ILE HB 2 77 VAL MG1 5.200 2.700 7.000 5.400 4.025 6.093 . 0 0 "[ . 1 . 2]" 1
547 2 37 ILE MD 2 71 VAL HA 4.700 2.500 6.300 5.948 5.616 6.363 0.063 9 0 "[ . 1 . 2]" 1
548 2 37 ILE MD 2 77 VAL HB 5.000 2.600 6.700 3.397 2.536 3.829 0.064 9 0 "[ . 1 . 2]" 1
549 2 37 ILE MD 2 77 VAL MG1 2.700 . 3.600 2.914 2.068 3.636 0.036 16 0 "[ . 1 . 2]" 1
550 2 37 ILE MD 2 77 VAL MG2 3.300 . 4.400 3.126 2.070 3.485 . 0 0 "[ . 1 . 2]" 1
551 2 37 ILE QG 2 40 ARG HA 3.600 . 5.300 5.487 5.386 5.556 0.256 16 0 "[ . 1 . 2]" 1
552 2 37 ILE QG 2 40 ARG QD 4.100 2.100 5.500 4.228 2.554 5.116 . 0 0 "[ . 1 . 2]" 1
553 2 37 ILE QG 2 40 ARG QG 2.800 . 3.800 2.989 2.359 3.895 0.095 18 0 "[ . 1 . 2]" 1
554 2 37 ILE QG 2 77 VAL MG1 4.300 2.200 5.800 3.002 2.264 3.462 . 0 0 "[ . 1 . 2]" 1
555 2 37 ILE QG 2 77 VAL MG2 4.500 2.300 6.100 2.339 2.186 2.876 0.114 16 0 "[ . 1 . 2]" 1
556 2 37 ILE MG 2 41 ILE MD 2.900 . 3.900 2.148 1.883 2.305 . 0 0 "[ . 1 . 2]" 1
557 2 37 ILE MG 2 41 ILE QG 4.300 2.400 5.900 2.430 2.232 3.557 0.168 8 0 "[ . 1 . 2]" 1
558 2 37 ILE MG 2 59 LEU QD 4.000 . 4.300 2.817 2.166 3.217 . 0 0 "[ . 1 . 2]" 1
559 2 37 ILE MG 2 77 VAL MG1 3.400 . 4.600 4.435 3.797 4.688 0.088 18 0 "[ . 1 . 2]" 1
560 2 37 ILE MG 2 77 VAL MG2 2.900 . 3.900 3.225 2.692 3.995 0.095 17 0 "[ . 1 . 2]" 1
561 2 38 TRP HA 2 38 TRP HE3 5.100 . 7.600 2.894 2.339 3.643 . 0 0 "[ . 1 . 2]" 1
562 2 38 TRP HA 2 41 ILE HB 4.200 2.100 6.300 2.825 2.509 3.445 . 0 0 "[ . 1 . 2]" 1
563 2 38 TRP HA 2 41 ILE MD 3.800 . 5.200 2.823 2.272 4.088 . 0 0 "[ . 1 . 2]" 1
564 2 38 TRP HA 2 41 ILE MG 4.800 2.400 6.500 4.095 3.848 4.499 . 0 0 "[ . 1 . 2]" 1
565 2 38 TRP QB 2 41 ILE MD 5.000 2.500 6.800 4.455 3.829 5.538 . 0 0 "[ . 1 . 2]" 1
566 2 38 TRP HE3 2 41 ILE MD 4.800 2.400 6.500 3.884 2.719 5.236 . 0 0 "[ . 1 . 2]" 1
567 2 38 TRP HH2 2 42 THR MG 5.200 2.700 7.000 6.078 4.387 6.879 . 0 0 "[ . 1 . 2]" 1
568 2 38 TRP HH2 2 47 TYR QE 4.900 2.500 6.600 4.765 3.354 6.537 . 0 0 "[ . 1 . 2]" 1
569 2 38 TRP HH2 2 52 VAL QG 4.300 2.200 5.800 4.580 3.717 5.368 . 0 0 "[ . 1 . 2]" 1
570 2 38 TRP HZ2 2 42 THR MG 4.000 . 5.400 4.722 3.783 5.400 . 0 0 "[ . 1 . 2]" 1
571 2 38 TRP HZ2 2 52 VAL QG 5.200 2.700 7.000 6.161 4.397 6.926 . 0 0 "[ . 1 . 2]" 1
572 2 38 TRP HZ3 2 41 ILE MD 4.600 2.400 6.200 4.702 3.464 6.020 . 0 0 "[ . 1 . 2]" 1
573 2 38 TRP HZ3 2 52 VAL QG 4.500 2.300 6.100 3.816 3.134 5.510 . 0 0 "[ . 1 . 2]" 1
574 2 39 ASP HA 2 42 THR MG 4.200 2.200 5.600 3.009 2.551 3.967 . 0 0 "[ . 1 . 2]" 1
575 2 39 ASP HA 2 43 THR MG 4.000 . 5.400 4.257 3.172 5.429 0.029 17 0 "[ . 1 . 2]" 1
576 2 40 ARG HA 2 40 ARG QD 3.800 . 5.400 2.482 2.213 4.130 . 0 0 "[ . 1 . 2]" 1
577 2 40 ARG HA 2 40 ARG QG 3.100 . 4.600 2.655 2.292 2.996 . 0 0 "[ . 1 . 2]" 1
578 2 40 ARG HA 2 43 THR MG 4.700 2.300 6.400 3.119 2.285 4.035 0.015 9 0 "[ . 1 . 2]" 1
579 2 40 ARG QB 2 77 VAL MG2 5.000 2.600 6.700 3.639 3.069 4.486 . 0 0 "[ . 1 . 2]" 1
580 2 40 ARG QB 2 81 LEU QD 4.800 2.600 6.400 3.332 2.673 4.195 . 0 0 "[ . 1 . 2]" 1
581 2 40 ARG QG 2 77 VAL MG2 4.500 2.300 6.100 3.461 2.313 4.721 . 0 0 "[ . 1 . 2]" 1
582 2 41 ILE HA 2 41 ILE MD 3.800 . 5.800 3.266 2.091 3.832 . 0 0 "[ . 1 . 2]" 1
583 2 41 ILE HA 2 41 ILE MG 3.200 . 4.700 2.342 2.228 2.537 . 0 0 "[ . 1 . 2]" 1
584 2 41 ILE HA 2 44 HIS QB 4.900 2.500 6.600 3.318 2.482 4.821 0.018 3 0 "[ . 1 . 2]" 1
585 2 41 ILE HA 2 47 TYR QD 5.100 2.600 6.900 5.242 4.064 6.419 . 0 0 "[ . 1 . 2]" 1
586 2 41 ILE HA 2 50 ILE MD 4.500 2.300 6.100 4.743 3.684 5.701 . 0 0 "[ . 1 . 2]" 1
587 2 41 ILE HA 2 81 LEU QD 4.200 2.100 5.400 3.896 3.571 4.543 . 0 0 "[ . 1 . 2]" 1
588 2 41 ILE HB 2 41 ILE MD 3.400 . 4.900 2.503 2.230 3.206 . 0 0 "[ . 1 . 2]" 1
589 2 41 ILE HB 2 42 THR MG 4.600 . 6.800 3.524 2.941 5.571 . 0 0 "[ . 1 . 2]" 1
590 2 41 ILE MD 2 52 VAL QG 3.800 . 5.100 3.880 3.235 5.105 0.005 16 0 "[ . 1 . 2]" 1
591 2 41 ILE MD 2 55 LEU QD . 2.300 4.100 2.933 2.288 3.723 0.012 13 0 "[ . 1 . 2]" 1
592 2 41 ILE MD 2 59 LEU QD 4.200 2.100 5.700 4.479 3.965 5.022 . 0 0 "[ . 1 . 2]" 1
593 2 41 ILE MD 2 77 VAL MG2 4.100 2.100 5.500 4.577 3.435 5.541 0.041 20 0 "[ . 1 . 2]" 1
594 2 41 ILE QG 2 81 LEU QD 5.000 2.600 6.100 2.966 2.523 3.857 0.077 4 0 "[ . 1 . 2]" 1
595 2 41 ILE QG 2 55 LEU QD 4.700 2.500 6.300 3.853 3.124 4.819 . 0 0 "[ . 1 . 2]" 1
596 2 41 ILE MG 2 42 THR HA 4.800 . 7.200 3.432 3.071 4.026 . 0 0 "[ . 1 . 2]" 1
597 2 41 ILE MG 2 42 THR MG 3.700 . 5.500 3.747 3.041 4.693 . 0 0 "[ . 1 . 2]" 1
598 2 41 ILE MG 2 47 TYR HA 5.100 2.600 6.900 4.161 3.189 5.243 . 0 0 "[ . 1 . 2]" 1
599 2 41 ILE MG 2 47 TYR QD 3.000 . 4.100 2.819 2.045 4.040 . 0 0 "[ . 1 . 2]" 1
600 2 41 ILE MG 2 47 TYR QE 3.200 . 4.300 2.632 2.097 3.575 . 0 0 "[ . 1 . 2]" 1
601 2 41 ILE MG 2 50 ILE MD 3.000 . 4.100 3.406 2.683 4.188 0.088 15 0 "[ . 1 . 2]" 1
602 2 41 ILE MG 2 52 VAL QG 3.100 . 4.200 4.230 3.912 4.297 0.097 11 0 "[ . 1 . 2]" 1
603 2 41 ILE MG 2 55 LEU QD 3.500 . 4.700 4.402 3.782 4.757 0.057 7 0 "[ . 1 . 2]" 1
604 2 42 THR HA 2 47 TYR QD 4.600 2.400 6.200 4.451 3.961 5.048 . 0 0 "[ . 1 . 2]" 1
605 2 42 THR HA 2 47 TYR QE 5.100 2.600 6.900 4.379 2.793 5.527 . 0 0 "[ . 1 . 2]" 1
606 2 42 THR HB 2 47 TYR QD 5.100 2.600 6.900 6.653 6.072 6.971 0.071 15 0 "[ . 1 . 2]" 1
607 2 42 THR HB 2 47 TYR QE 5.100 2.600 6.900 6.393 4.750 6.938 0.038 14 0 "[ . 1 . 2]" 1
608 2 42 THR MG 2 47 TYR QD 4.700 2.500 6.300 5.213 4.563 5.962 . 0 0 "[ . 1 . 2]" 1
609 2 42 THR MG 2 47 TYR QE 3.900 . 5.300 4.576 3.658 5.332 0.032 3 0 "[ . 1 . 2]" 1
610 2 43 THR HA 2 43 THR MG 2.300 . 3.400 2.665 2.272 3.199 . 0 0 "[ . 1 . 2]" 1
611 2 44 HIS HA 2 45 PRO HA 5.100 2.600 7.600 4.571 4.384 4.709 . 0 0 "[ . 1 . 2]" 1
612 2 44 HIS HA 2 45 PRO QD 3.700 . 4.500 2.065 2.026 2.125 . 0 0 "[ . 1 . 2]" 1
613 2 44 HIS HA 2 45 PRO QG 4.400 . 6.600 4.016 3.969 4.093 . 0 0 "[ . 1 . 2]" 1
614 2 44 HIS QB 2 50 ILE MD 4.700 2.500 6.100 3.988 2.623 5.411 . 0 0 "[ . 1 . 2]" 1
615 2 44 HIS HD2 2 81 LEU QD 4.200 2.200 5.600 4.017 2.315 5.584 . 0 0 "[ . 1 . 2]" 1
616 2 44 HIS HD2 2 85 MET ME 4.700 2.300 6.400 4.481 2.734 6.360 . 0 0 "[ . 1 . 2]" 1
617 2 45 PRO HA 2 45 PRO QG 3.500 . 5.200 3.415 3.290 3.514 . 0 0 "[ . 1 . 2]" 1
618 2 47 TYR HA 2 47 TYR QD 3.300 . 4.800 2.770 2.273 3.709 . 0 0 "[ . 1 . 2]" 1
619 2 47 TYR HA 2 50 ILE MD 3.200 . 4.300 2.723 2.074 4.056 . 0 0 "[ . 1 . 2]" 1
620 2 47 TYR HA 2 50 ILE QG 4.900 2.500 7.300 3.947 2.598 5.534 . 0 0 "[ . 1 . 2]" 1
621 2 47 TYR QB 2 50 ILE MD 4.900 2.500 6.600 3.820 2.388 5.623 0.112 2 0 "[ . 1 . 2]" 1
622 2 47 TYR QD 2 48 SER QB 4.800 . 7.200 5.163 4.449 6.347 . 0 0 "[ . 1 . 2]" 1
623 2 47 TYR QD 2 50 ILE HB 4.900 2.400 6.700 4.536 3.348 6.224 . 0 0 "[ . 1 . 2]" 1
624 2 47 TYR QD 2 50 ILE MD 3.500 . 4.700 3.468 2.240 4.722 0.022 8 0 "[ . 1 . 2]" 1
625 2 47 TYR QD 2 52 VAL QG 4.300 2.200 5.800 5.020 2.829 5.861 0.061 1 0 "[ . 1 . 2]" 1
626 2 47 TYR QD 2 85 MET ME 4.900 2.500 6.600 6.205 5.168 6.633 0.033 9 0 "[ . 1 . 2]" 1
627 2 47 TYR QE 2 50 ILE MD 4.300 2.200 5.800 4.533 3.015 5.835 0.035 3 0 "[ . 1 . 2]" 1
628 2 47 TYR QE 2 52 VAL QG 3.500 2.500 4.700 4.095 2.764 4.723 0.023 19 0 "[ . 1 . 2]" 1
629 2 49 ASP QB 2 85 MET ME 4.600 2.400 6.200 5.631 4.103 6.214 0.014 14 0 "[ . 1 . 2]" 1
630 2 50 ILE HA 2 85 MET HA 2.800 . 4.200 3.972 3.163 4.258 0.058 18 0 "[ . 1 . 2]" 1
631 2 50 ILE HA 2 85 MET ME 4.600 2.400 6.200 4.573 3.654 5.602 . 0 0 "[ . 1 . 2]" 1
632 2 50 ILE HA 2 85 MET QG 4.400 2.300 5.900 4.722 3.398 5.877 . 0 0 "[ . 1 . 2]" 1
633 2 50 ILE HB 2 50 ILE MD 3.000 . 4.500 2.363 2.239 3.208 . 0 0 "[ . 1 . 2]" 1
634 2 50 ILE HB 2 52 VAL QG 3.800 . 5.600 4.193 3.388 5.401 . 0 0 "[ . 1 . 2]" 1
635 2 50 ILE MD 2 52 VAL QG 3.900 . 5.900 4.752 4.077 5.423 . 0 0 "[ . 1 . 2]" 1
636 2 50 ILE MD 2 81 LEU HA 4.800 2.400 6.500 4.778 3.345 6.054 . 0 0 "[ . 1 . 2]" 1
637 2 50 ILE MD 2 81 LEU QD 3.500 . 4.200 3.087 2.194 3.993 . 0 0 "[ . 1 . 2]" 1
638 2 50 ILE MD 2 85 MET ME 3.000 . 4.100 2.493 2.008 3.135 . 0 0 "[ . 1 . 2]" 1
639 2 50 ILE MD 2 85 MET QG 4.200 2.200 5.600 4.382 3.399 5.398 . 0 0 "[ . 1 . 2]" 1
640 2 50 ILE QG 2 85 MET HA 4.900 2.500 7.300 4.194 3.283 6.752 . 0 0 "[ . 1 . 2]" 1
641 2 50 ILE QG 2 85 MET ME 4.200 2.100 5.700 2.866 2.203 4.488 . 0 0 "[ . 1 . 2]" 1
642 2 50 ILE QG 2 85 MET QG 5.000 2.500 6.100 3.949 2.480 5.446 0.020 4 0 "[ . 1 . 2]" 1
643 2 50 ILE MG 2 52 VAL HA 3.300 . 5.000 3.854 3.281 4.931 . 0 0 "[ . 1 . 2]" 1
644 2 50 ILE MG 2 52 VAL HB 5.000 2.600 7.400 5.442 4.172 6.834 . 0 0 "[ . 1 . 2]" 1
645 2 50 ILE MG 2 52 VAL QG 2.800 . 4.200 3.623 2.262 4.237 0.037 11 0 "[ . 1 . 2]" 1
646 2 50 ILE MG 2 55 LEU QB 4.500 2.300 5.800 4.407 3.167 5.848 0.048 14 0 "[ . 1 . 2]" 1
647 2 50 ILE MG 2 55 LEU QD 3.200 . 4.300 2.744 2.096 3.863 . 0 0 "[ . 1 . 2]" 1
648 2 50 ILE MG 2 55 LEU HG 4.700 2.300 6.400 4.717 3.801 6.422 0.022 8 0 "[ . 1 . 2]" 1
649 2 50 ILE MG 2 85 MET HA 4.200 2.100 5.700 4.582 2.930 5.762 0.062 8 0 "[ . 1 . 2]" 1
650 2 51 ASP QB 2 84 HIS QB 3.000 . 4.100 2.871 1.967 3.871 . 0 0 "[ . 1 . 2]" 1
651 2 52 VAL HA 2 52 VAL QG 2.800 . 4.100 2.166 2.066 2.346 . 0 0 "[ . 1 . 2]" 1
652 2 52 VAL HA 2 55 LEU QB 3.600 . 4.800 3.433 2.469 4.105 . 0 0 "[ . 1 . 2]" 1
653 2 52 VAL HA 2 55 LEU QD 3.700 . 5.000 2.336 2.051 3.337 . 0 0 "[ . 1 . 2]" 1
654 2 52 VAL QG 2 55 LEU QD 3.800 2.200 5.100 2.595 2.164 3.440 0.036 11 0 "[ . 1 . 2]" 1
655 2 52 VAL QG 2 56 CYS HA 4.600 2.400 6.200 5.170 4.531 6.240 0.040 7 0 "[ . 1 . 2]" 1
656 2 52 VAL QG 2 53 ASP HA 4.200 . 6.300 3.512 3.060 3.860 . 0 0 "[ . 1 . 2]" 1
657 2 52 VAL QG 2 55 LEU QB 4.900 2.500 6.600 3.962 3.074 4.784 . 0 0 "[ . 1 . 2]" 1
658 2 53 ASP HA 2 56 CYS QB 3.600 . 4.700 2.658 2.386 2.898 . 0 0 "[ . 1 . 2]" 1
659 2 53 ASP QB 2 56 CYS QB 5.100 2.600 6.900 4.156 3.752 4.502 . 0 0 "[ . 1 . 2]" 1
660 2 54 GLY QA 2 57 SER HA 4.200 2.100 5.700 5.763 5.711 5.845 0.145 7 0 "[ . 1 . 2]" 1
661 2 55 LEU HA 2 55 LEU QD 2.900 . 4.400 2.728 2.051 3.347 . 0 0 "[ . 1 . 2]" 1
662 2 55 LEU HA 2 55 LEU HG 4.300 . 6.500 3.422 2.714 3.727 . 0 0 "[ . 1 . 2]" 1
663 2 55 LEU HA 2 80 ALA MB 4.500 2.300 6.100 2.952 2.513 3.333 . 0 0 "[ . 1 . 2]" 1
664 2 55 LEU HA 2 84 HIS HD2 4.500 2.300 6.700 4.097 2.433 6.394 . 0 0 "[ . 1 . 2]" 1
665 2 55 LEU QB 2 77 VAL HA 3.800 . 5.100 5.158 4.809 5.394 0.294 20 0 "[ . 1 . 2]" 1
666 2 55 LEU QB 2 84 HIS QB 4.800 2.400 6.500 5.355 3.461 6.545 0.045 18 0 "[ . 1 . 2]" 1
667 2 55 LEU MD1 2 55 LEU MD2 2.800 . 4.200 2.055 2.009 2.081 . 0 0 "[ . 1 . 2]" 1
668 2 55 LEU QD 2 59 LEU QD 2.700 . 3.700 2.552 1.907 3.191 . 0 0 "[ . 1 . 2]" 1
669 2 55 LEU QD 2 59 LEU HG 4.100 2.100 5.500 4.724 2.303 5.588 0.088 13 0 "[ . 1 . 2]" 1
670 2 55 LEU QD 2 77 VAL HA 4.500 2.300 6.100 4.428 2.439 5.340 . 0 0 "[ . 1 . 2]" 1
671 2 55 LEU QD 2 80 ALA HA 4.100 2.100 5.500 4.866 3.895 5.527 0.027 15 0 "[ . 1 . 2]" 1
672 2 55 LEU QD 2 80 ALA MB 2.500 2.200 3.400 2.990 2.126 3.499 0.099 11 0 "[ . 1 . 2]" 1
673 2 55 LEU QD 2 81 LEU HA 2.900 2.100 3.900 3.276 2.536 3.930 0.030 15 0 "[ . 1 . 2]" 1
674 2 55 LEU QD 2 81 LEU QB 4.600 2.400 6.200 4.021 3.637 4.491 . 0 0 "[ . 1 . 2]" 1
675 2 55 LEU QD 2 84 HIS QB 4.700 2.500 5.800 4.147 2.483 5.859 0.059 11 0 "[ . 1 . 2]" 1
676 2 55 LEU QD 2 84 HIS HD2 3.800 . 5.200 3.359 2.062 5.230 0.030 4 0 "[ . 1 . 2]" 1
677 2 55 LEU QD 2 81 LEU QD 3.300 . 4.400 1.898 1.749 2.059 0.051 5 0 "[ . 1 . 2]" 1
678 2 56 CYS HA 2 59 LEU QB 4.500 2.500 6.100 3.645 3.106 4.038 . 0 0 "[ . 1 . 2]" 1
679 2 56 CYS HA 2 59 LEU QD 3.900 . 5.300 4.239 3.784 4.852 . 0 0 "[ . 1 . 2]" 1
680 2 56 CYS HA 2 59 LEU HG 5.100 2.600 7.600 6.461 4.489 7.016 . 0 0 "[ . 1 . 2]" 1
681 2 57 SER HA 2 60 MET QB 5.200 2.700 7.000 2.711 2.529 3.832 0.171 17 0 "[ . 1 . 2]" 1
682 2 57 SER HA 2 60 MET ME 4.300 2.400 5.800 5.039 3.382 5.719 . 0 0 "[ . 1 . 2]" 1
683 2 57 SER HA 2 61 ALA MB 5.100 2.600 6.900 4.372 3.971 4.978 . 0 0 "[ . 1 . 2]" 1
684 2 57 SER QB 2 58 GLU HA 4.200 . 6.300 4.486 4.229 4.693 . 0 0 "[ . 1 . 2]" 1
685 2 57 SER QB 2 60 MET QG 4.800 2.400 6.500 5.661 3.850 6.042 . 0 0 "[ . 1 . 2]" 1
686 2 58 GLU HA 2 58 GLU QG 3.000 . 4.500 2.437 2.206 2.680 . 0 0 "[ . 1 . 2]" 1
687 2 58 GLU HA 2 61 ALA MB 3.300 . 4.500 4.190 3.537 4.540 0.040 17 0 "[ . 1 . 2]" 1
688 2 58 GLU QB 2 80 ALA MB 4.600 2.400 5.500 2.455 2.280 2.900 0.120 19 0 "[ . 1 . 2]" 1
689 2 58 GLU QG 2 59 LEU QD 5.000 . 6.300 3.954 2.585 6.077 . 0 0 "[ . 1 . 2]" 1
690 2 58 GLU QG 2 62 LYS QE 4.100 2.300 5.500 3.887 2.343 5.515 0.015 17 0 "[ . 1 . 2]" 1
691 2 58 GLU QG 2 62 LYS QG 4.800 2.400 6.500 4.344 2.709 6.131 . 0 0 "[ . 1 . 2]" 1
692 2 58 GLU QG 2 80 ALA MB 4.200 2.200 5.500 2.805 2.101 3.824 0.099 20 0 "[ . 1 . 2]" 1
693 2 59 LEU HA 2 59 LEU QD 2.600 . 3.900 2.591 2.080 3.008 . 0 0 "[ . 1 . 2]" 1
694 2 59 LEU HA 2 62 LYS QB 4.600 2.400 6.100 2.519 2.347 3.021 0.053 6 0 "[ . 1 . 2]" 1
695 2 59 LEU HA 2 62 LYS QG 4.500 2.300 6.100 3.814 2.925 4.635 . 0 0 "[ . 1 . 2]" 1
696 2 59 LEU HA 2 72 ILE MD 4.200 2.100 5.700 3.071 2.443 4.167 . 0 0 "[ . 1 . 2]" 1
697 2 59 LEU HA 2 72 ILE MG 5.100 2.600 6.900 3.736 3.307 4.194 . 0 0 "[ . 1 . 2]" 1
698 2 59 LEU HA 2 80 ALA MB 4.800 2.400 6.500 4.655 3.669 5.412 . 0 0 "[ . 1 . 2]" 1
699 2 59 LEU QB 2 72 ILE MD 4.000 . 5.400 2.879 2.189 4.835 . 0 0 "[ . 1 . 2]" 1
700 2 59 LEU MD1 2 59 LEU MD2 2.400 . 3.700 2.052 2.032 2.070 . 0 0 "[ . 1 . 2]" 1
701 2 59 LEU QD 2 62 LYS QB 4.800 2.400 6.500 3.933 3.298 4.300 . 0 0 "[ . 1 . 2]" 1
702 2 59 LEU QD 2 76 ASP QB 4.800 2.400 6.500 3.799 2.512 4.658 . 0 0 "[ . 1 . 2]" 1
703 2 59 LEU QD 2 77 VAL HA 2.800 2.100 3.700 2.377 2.048 2.986 0.052 15 0 "[ . 1 . 2]" 1
704 2 59 LEU QD 2 80 ALA MB 2.400 . 3.200 2.462 1.991 3.211 0.011 18 0 "[ . 1 . 2]" 1
705 2 59 LEU QD 2 77 VAL MG1 3.700 . 5.000 3.123 1.817 3.910 0.083 20 0 "[ . 1 . 2]" 1
706 2 59 LEU QD 2 81 LEU HG 2.700 . 3.600 3.714 3.602 3.836 0.236 7 0 "[ . 1 . 2]" 1
707 2 59 LEU HG 2 72 ILE MD 4.800 2.400 6.500 2.920 2.381 4.809 0.019 9 0 "[ . 1 . 2]" 1
708 2 60 MET HA 2 60 MET ME 3.900 . 5.900 4.375 3.651 4.739 . 0 0 "[ . 1 . 2]" 1
709 2 60 MET HA 2 60 MET QG 3.500 . 5.200 2.405 2.253 3.443 . 0 0 "[ . 1 . 2]" 1
710 2 60 MET HA 2 63 ALA MB 2.900 . 3.900 3.170 2.643 3.531 . 0 0 "[ . 1 . 2]" 1
711 2 60 MET HA 2 72 ILE MD 4.700 2.500 6.300 4.378 3.734 4.752 . 0 0 "[ . 1 . 2]" 1
712 2 60 MET QB 2 60 MET ME 3.000 . 4.500 3.169 1.971 3.640 . 0 0 "[ . 1 . 2]" 1
713 2 60 MET QB 2 63 ALA MB 5.000 2.500 6.800 4.625 4.034 4.855 . 0 0 "[ . 1 . 2]" 1
714 2 60 MET QG 2 63 ALA MB 4.800 2.500 6.500 4.136 3.656 5.375 . 0 0 "[ . 1 . 2]" 1
715 2 61 ALA HA 2 62 LYS QG 4.700 . 6.900 5.440 4.900 6.387 . 0 0 "[ . 1 . 2]" 1
716 2 61 ALA MB 2 62 LYS HA 4.400 . 6.500 4.024 3.893 4.132 . 0 0 "[ . 1 . 2]" 1
717 2 61 ALA MB 2 62 LYS QB 4.900 . 7.300 4.530 4.226 4.731 . 0 0 "[ . 1 . 2]" 1
718 2 61 ALA MB 2 62 LYS QE 4.000 . 6.000 4.884 4.144 5.814 . 0 0 "[ . 1 . 2]" 1
719 2 62 LYS HA 2 62 LYS QD 2.900 . 4.300 2.852 2.272 3.928 . 0 0 "[ . 1 . 2]" 1
720 2 62 LYS HA 2 62 LYS QE 4.000 . 6.000 4.316 3.634 4.936 . 0 0 "[ . 1 . 2]" 1
721 2 62 LYS HA 2 62 LYS QG 3.000 . 4.500 2.438 2.225 2.725 . 0 0 "[ . 1 . 2]" 1
722 2 62 LYS HA 2 72 ILE MG 4.700 2.500 6.300 5.249 4.382 6.112 . 0 0 "[ . 1 . 2]" 1
723 2 62 LYS QB 2 72 ILE MG 4.300 2.200 5.800 3.010 2.345 3.815 . 0 0 "[ . 1 . 2]" 1
724 2 62 LYS QB 2 72 ILE MD 4.600 2.400 6.200 3.248 2.554 3.965 . 0 0 "[ . 1 . 2]" 1
725 2 62 LYS QE 2 62 LYS QG 2.900 . 4.300 2.265 2.114 2.428 . 0 0 "[ . 1 . 2]" 1
726 2 62 LYS QG 2 72 ILE MD 4.600 2.400 6.200 4.859 4.112 5.686 . 0 0 "[ . 1 . 2]" 1
727 2 62 LYS QG 2 72 ILE MG 4.300 2.200 5.800 4.424 3.600 5.623 . 0 0 "[ . 1 . 2]" 1
728 2 62 LYS QG 2 76 ASP QB 4.800 2.600 6.400 3.459 2.569 4.878 0.031 16 0 "[ . 1 . 2]" 1
729 2 63 ALA HA 2 70 VAL QG 4.300 2.200 5.800 2.903 2.332 4.070 . 0 0 "[ . 1 . 2]" 1
730 2 63 ALA HA 2 72 ILE HA 3.800 . 5.600 4.347 4.023 4.573 . 0 0 "[ . 1 . 2]" 1
731 2 63 ALA HA 2 72 ILE HB 4.800 2.400 7.200 5.237 4.779 6.059 . 0 0 "[ . 1 . 2]" 1
732 2 63 ALA HA 2 72 ILE MD 3.200 . 4.300 2.594 2.021 3.262 . 0 0 "[ . 1 . 2]" 1
733 2 63 ALA HA 2 72 ILE QG 3.600 . 5.000 2.605 2.138 4.124 . 0 0 "[ . 1 . 2]" 1
734 2 63 ALA HA 2 72 ILE MG 4.000 . 5.400 4.146 3.525 4.418 . 0 0 "[ . 1 . 2]" 1
735 2 63 ALA MB 2 64 LYS HA 4.400 . 6.600 4.147 4.053 4.355 . 0 0 "[ . 1 . 2]" 1
736 2 63 ALA MB 2 70 VAL HB 3.500 . 4.700 3.314 2.267 4.247 . 0 0 "[ . 1 . 2]" 1
737 2 63 ALA MB 2 70 VAL QG 2.500 . 3.400 2.043 1.854 2.546 . 0 0 "[ . 1 . 2]" 1
738 2 63 ALA MB 2 72 ILE HA 4.300 2.200 5.800 5.648 5.351 5.833 0.033 10 0 "[ . 1 . 2]" 1
739 2 63 ALA MB 2 72 ILE MD 3.000 . 4.000 3.029 2.548 3.414 . 0 0 "[ . 1 . 2]" 1
740 2 63 ALA MB 2 72 ILE QG 3.700 . 5.000 3.722 3.387 4.657 . 0 0 "[ . 1 . 2]" 1
741 2 64 LYS HA 2 64 LYS QG 3.100 . 4.600 2.521 2.311 3.046 . 0 0 "[ . 1 . 2]" 1
742 2 64 LYS QB 2 71 VAL QG 3.500 . 4.700 2.201 2.044 3.042 . 0 0 "[ . 1 . 2]" 1
743 2 64 LYS QE 2 71 VAL QG 4.500 2.300 6.100 4.170 2.289 5.598 0.011 20 0 "[ . 1 . 2]" 1
744 2 65 CYS HA 2 70 VAL HA 2.800 . 4.200 2.701 2.326 3.088 . 0 0 "[ . 1 . 2]" 1
745 2 65 CYS HA 2 70 VAL HB 4.900 2.500 7.300 4.154 3.432 5.475 . 0 0 "[ . 1 . 2]" 1
746 2 65 CYS HA 2 70 VAL QG 4.000 . 5.300 3.131 2.267 3.768 . 0 0 "[ . 1 . 2]" 1
747 2 65 CYS HA 2 71 VAL QG 4.400 2.300 5.900 4.450 4.104 4.790 . 0 0 "[ . 1 . 2]" 1
748 2 65 CYS QB 2 70 VAL HA 5.200 2.700 7.000 4.720 4.355 5.124 . 0 0 "[ . 1 . 2]" 1
749 2 66 SER HA 2 67 GLU QB 5.100 . 7.600 4.588 4.309 4.859 . 0 0 "[ . 1 . 2]" 1
750 2 66 SER HA 2 71 VAL QG 4.200 . 5.800 4.744 4.533 5.203 . 0 0 "[ . 1 . 2]" 1
751 2 66 SER QB 2 71 VAL QG 4.200 2.100 4.500 2.568 2.362 3.051 . 0 0 "[ . 1 . 2]" 1
752 2 67 GLU HA 2 67 GLU QG 3.000 . 4.400 2.825 2.301 3.453 . 0 0 "[ . 1 . 2]" 1
753 2 67 GLU QB 2 68 ARG QG 4.600 . 6.800 4.085 3.198 5.776 . 0 0 "[ . 1 . 2]" 1
754 2 68 ARG HA 2 68 ARG QD 3.500 . 5.200 3.397 2.154 4.205 . 0 0 "[ . 1 . 2]" 1
755 2 68 ARG HA 2 68 ARG QG 3.000 . 4.500 2.470 2.253 3.048 . 0 0 "[ . 1 . 2]" 1
756 2 68 ARG QB 2 71 VAL QG 5.000 2.500 5.800 3.299 2.588 4.988 . 0 0 "[ . 1 . 2]" 1
757 2 70 VAL HA 2 70 VAL QG 2.700 . 4.000 2.266 2.074 2.428 . 0 0 "[ . 1 . 2]" 1
758 2 70 VAL HA 2 71 VAL QG 4.200 . 6.300 3.222 3.083 3.491 . 0 0 "[ . 1 . 2]" 1
759 2 70 VAL MG1 2 70 VAL MG2 1.700 . 2.500 2.060 2.044 2.084 . 0 0 "[ . 1 . 2]" 1
760 2 70 VAL QG 2 71 VAL HA 4.900 . 6.400 3.276 3.023 3.683 . 0 0 "[ . 1 . 2]" 1
761 2 71 VAL HA 2 71 VAL QG 2.500 . 3.800 2.268 2.110 2.336 . 0 0 "[ . 1 . 2]" 1
762 2 71 VAL MG1 2 71 VAL MG2 2.200 . 3.300 2.075 2.036 2.083 . 0 0 "[ . 1 . 2]" 1
763 2 71 VAL QG 2 72 ILE HA 4.600 . 6.800 3.829 3.293 4.161 . 0 0 "[ . 1 . 2]" 1
764 2 72 ILE HA 2 72 ILE MD 3.500 . 5.200 3.515 2.185 3.883 . 0 0 "[ . 1 . 2]" 1
765 2 72 ILE HA 2 72 ILE QG 3.600 . 5.200 2.568 2.351 3.131 . 0 0 "[ . 1 . 2]" 1
766 2 72 ILE HA 2 72 ILE MG 2.800 . 4.200 2.320 2.242 2.455 . 0 0 "[ . 1 . 2]" 1
767 2 72 ILE HA 2 77 VAL MG1 5.200 2.700 7.000 5.934 4.925 6.340 . 0 0 "[ . 1 . 2]" 1
768 2 72 ILE HB 2 72 ILE MD 2.900 . 4.200 2.453 2.238 3.226 . 0 0 "[ . 1 . 2]" 1
769 2 72 ILE HB 2 77 VAL MG1 3.300 . 4.500 4.183 3.136 4.569 0.069 11 0 "[ . 1 . 2]" 1
770 2 72 ILE MD 2 77 VAL HA 4.700 2.500 6.300 5.571 4.946 6.311 0.011 15 0 "[ . 1 . 2]" 1
771 2 72 ILE QG 2 77 VAL MG1 4.700 2.500 6.300 5.369 4.327 5.861 . 0 0 "[ . 1 . 2]" 1
772 2 72 ILE MG 2 73 ASN HA 5.000 . 7.500 3.969 3.841 4.194 . 0 0 "[ . 1 . 2]" 1
773 2 72 ILE MG 2 76 ASP HA 4.500 2.300 6.100 4.675 4.436 5.085 . 0 0 "[ . 1 . 2]" 1
774 2 72 ILE MG 2 76 ASP QB 3.500 . 4.700 2.211 2.019 2.498 . 0 0 "[ . 1 . 2]" 1
775 2 72 ILE MG 2 77 VAL HA 4.500 2.300 6.100 4.491 3.763 5.286 . 0 0 "[ . 1 . 2]" 1
776 2 72 ILE MG 2 77 VAL HB 4.800 2.400 6.500 3.844 2.578 5.533 . 0 0 "[ . 1 . 2]" 1
777 2 72 ILE MG 2 77 VAL MG1 2.500 . 3.400 3.135 2.111 3.450 0.050 8 0 "[ . 1 . 2]" 1
778 2 72 ILE MG 2 77 VAL QG 2.500 . 3.400 3.058 2.105 3.367 . 0 0 "[ . 1 . 2]" 1
779 2 73 ASN HA 2 74 ALA MB 4.600 . 6.800 4.029 3.951 4.075 . 0 0 "[ . 1 . 2]" 1
780 2 74 ALA HA 2 77 VAL HB 3.500 . 5.200 4.376 4.082 4.690 . 0 0 "[ . 1 . 2]" 1
781 2 74 ALA HA 2 77 VAL MG1 3.300 . 4.400 2.158 1.989 2.653 . 0 0 "[ . 1 . 2]" 1
782 2 74 ALA HA 2 77 VAL MG2 4.100 2.100 5.500 3.847 2.088 4.602 0.012 1 0 "[ . 1 . 2]" 1
783 2 74 ALA MB 2 75 GLU QG 4.800 . 7.200 4.698 3.189 5.498 . 0 0 "[ . 1 . 2]" 1
784 2 74 ALA MB 2 77 VAL HB 4.000 . 5.400 5.490 5.410 5.611 0.211 7 0 "[ . 1 . 2]" 1
785 2 74 ALA MB 2 77 VAL MG1 3.500 . 4.700 3.277 2.949 4.012 . 0 0 "[ . 1 . 2]" 1
786 2 74 ALA MB 2 77 VAL MG2 4.000 . 5.400 4.333 2.809 5.178 . 0 0 "[ . 1 . 2]" 1
787 2 75 GLU HA 2 75 GLU QG 2.800 . 4.100 2.440 2.257 3.292 . 0 0 "[ . 1 . 2]" 1
788 2 75 GLU HA 2 77 VAL MG2 4.700 2.500 6.900 5.880 4.343 6.698 . 0 0 "[ . 1 . 2]" 1
789 2 75 GLU QB 2 79 LEU QD 4.500 2.300 6.100 3.929 2.882 5.307 . 0 0 "[ . 1 . 2]" 1
790 2 75 GLU QG 2 76 ASP HA 4.700 . 6.900 4.569 3.777 5.939 . 0 0 "[ . 1 . 2]" 1
791 2 75 GLU QG 2 79 LEU QD 3.500 2.300 4.700 3.376 2.254 4.603 0.046 20 0 "[ . 1 . 2]" 1
792 2 75 GLU QG 2 79 LEU HG 4.600 2.400 6.200 4.653 2.849 6.217 0.017 10 0 "[ . 1 . 2]" 1
793 2 76 ASP HA 2 79 LEU QB 3.700 . 4.700 2.683 2.317 3.066 . 0 0 "[ . 1 . 2]" 1
794 2 76 ASP HA 2 79 LEU QD 3.200 2.200 4.300 3.170 2.324 4.003 . 0 0 "[ . 1 . 2]" 1
795 2 76 ASP HA 2 79 LEU HG 4.200 2.100 6.300 4.343 3.843 5.780 . 0 0 "[ . 1 . 2]" 1
796 2 77 VAL HA 2 77 VAL MG1 2.800 . 4.100 3.036 2.510 3.213 . 0 0 "[ . 1 . 2]" 1
797 2 77 VAL HA 2 77 VAL MG2 2.800 . 4.200 2.600 2.308 3.192 . 0 0 "[ . 1 . 2]" 1
798 2 77 VAL HA 2 80 ALA MB 3.300 . 4.400 2.279 2.163 2.342 . 0 0 "[ . 1 . 2]" 1
799 2 77 VAL HB 2 80 ALA MB 4.100 2.100 5.500 4.253 3.980 4.544 . 0 0 "[ . 1 . 2]" 1
800 2 77 VAL MG1 2 77 VAL MG2 2.200 . 3.300 2.074 2.053 2.094 . 0 0 "[ . 1 . 2]" 1
801 2 77 VAL MG2 2 78 GLN HA 3.800 . 5.600 3.299 3.035 3.760 . 0 0 "[ . 1 . 2]" 1
802 2 77 VAL MG2 2 78 GLN QG 5.000 . 7.500 4.210 2.247 5.544 . 0 0 "[ . 1 . 2]" 1
803 2 77 VAL MG2 2 81 LEU QD 2.900 . 3.900 1.984 1.852 2.455 . 0 0 "[ . 1 . 2]" 1
804 2 77 VAL MG2 2 81 LEU HG 3.700 . 5.000 2.652 2.059 4.270 . 0 0 "[ . 1 . 2]" 1
805 2 77 VAL QG 2 78 GLN HA 4.000 . 6.000 3.009 2.955 3.186 . 0 0 "[ . 1 . 2]" 1
806 2 78 GLN HA 2 78 GLN QG 3.100 . 4.600 2.528 2.283 3.456 . 0 0 "[ . 1 . 2]" 1
807 2 78 GLN HA 2 81 LEU QB 3.400 . 4.600 2.909 2.684 3.120 . 0 0 "[ . 1 . 2]" 1
808 2 78 GLN HA 2 81 LEU QD 3.100 . 4.200 3.325 2.768 3.820 . 0 0 "[ . 1 . 2]" 1
809 2 78 GLN QB 2 81 LEU QD 5.000 2.500 6.800 4.729 4.180 5.174 . 0 0 "[ . 1 . 2]" 1
810 2 78 GLN QG 2 81 LEU QD 4.900 2.500 6.600 4.537 3.551 5.720 . 0 0 "[ . 1 . 2]" 1
811 2 79 LEU HA 2 79 LEU QD 3.500 . 3.800 2.145 1.978 2.259 . 0 0 "[ . 1 . 2]" 1
812 2 79 LEU HA 2 79 LEU HG 3.500 . 5.200 2.989 2.400 3.657 . 0 0 "[ . 1 . 2]" 1
813 2 79 LEU QB 2 79 LEU QD 2.600 . 3.900 1.929 1.897 2.018 . 0 0 "[ . 1 . 2]" 1
814 2 79 LEU QD 2 82 ASN QB 4.900 2.500 6.600 3.720 3.296 4.504 . 0 0 "[ . 1 . 2]" 1
815 2 80 ALA HA 2 83 LYS QB 3.400 . 4.600 2.749 2.322 3.696 . 0 0 "[ . 1 . 2]" 1
816 2 80 ALA HA 2 83 LYS QD 3.700 . 5.000 3.707 2.113 5.023 0.023 18 0 "[ . 1 . 2]" 1
817 2 80 ALA HA 2 83 LYS QE 4.200 2.200 5.600 4.891 2.968 5.640 0.040 16 0 "[ . 1 . 2]" 1
818 2 80 ALA HA 2 83 LYS QG 4.900 2.500 6.000 4.314 2.465 5.201 0.035 1 0 "[ . 1 . 2]" 1
819 2 80 ALA HA 2 84 HIS HD2 3.800 . 5.800 4.374 3.041 5.659 . 0 0 "[ . 1 . 2]" 1
820 2 80 ALA MB 2 81 LEU HA 4.700 . 6.900 3.902 3.795 3.979 . 0 0 "[ . 1 . 2]" 1
821 2 80 ALA MB 2 84 HIS HD2 3.700 . 5.000 3.845 2.419 5.071 0.071 11 0 "[ . 1 . 2]" 1
822 2 81 LEU HA 2 81 LEU QD 4.000 . 4.100 2.140 2.057 2.237 . 0 0 "[ . 1 . 2]" 1
823 2 81 LEU HA 2 81 LEU HG 3.600 . 5.400 2.913 2.640 3.234 . 0 0 "[ . 1 . 2]" 1
824 2 81 LEU HA 2 84 HIS QB 4.800 2.400 6.500 3.894 2.659 6.253 . 0 0 "[ . 1 . 2]" 1
825 2 81 LEU HA 2 84 HIS HD2 4.900 2.500 7.300 4.228 3.483 5.713 . 0 0 "[ . 1 . 2]" 1
826 2 81 LEU QB 2 85 MET ME 4.200 2.100 5.700 3.657 2.930 4.361 . 0 0 "[ . 1 . 2]" 1
827 2 81 LEU MD1 2 81 LEU MD2 2.400 . 3.500 2.077 2.033 2.088 . 0 0 "[ . 1 . 2]" 1
828 2 81 LEU QD 2 85 MET ME 4.000 . 4.300 3.918 3.017 4.324 0.024 4 0 "[ . 1 . 2]" 1
829 2 81 LEU QD 2 85 MET QG 4.800 2.400 6.500 5.216 3.575 6.482 . 0 0 "[ . 1 . 2]" 1
830 2 82 ASN HA 2 85 MET QB 3.800 . 5.100 3.059 2.251 4.467 . 0 0 "[ . 1 . 2]" 1
831 2 82 ASN HA 2 85 MET ME 3.400 . 4.600 3.774 2.217 4.622 0.022 14 0 "[ . 1 . 2]" 1
832 2 82 ASN HA 2 85 MET QG 3.500 . 4.700 3.508 2.208 4.782 0.082 20 0 "[ . 1 . 2]" 1
833 2 82 ASN QB 2 83 LYS QG 5.100 . 7.600 5.085 3.319 6.109 . 0 0 "[ . 1 . 2]" 1
834 2 83 LYS HA 2 83 LYS QD 3.900 . 5.900 3.870 2.295 4.495 . 0 0 "[ . 1 . 2]" 1
835 2 83 LYS HA 2 83 LYS QE 4.500 . 6.700 4.468 3.504 5.042 . 0 0 "[ . 1 . 2]" 1
836 2 83 LYS HA 2 83 LYS QG 3.300 . 5.000 2.389 2.243 3.307 . 0 0 "[ . 1 . 2]" 1
837 2 83 LYS QB 2 83 LYS QD 3.200 . 4.700 2.189 2.105 2.437 . 0 0 "[ . 1 . 2]" 1
838 2 83 LYS QB 2 83 LYS QE 3.400 . 5.100 3.002 2.113 3.686 . 0 0 "[ . 1 . 2]" 1
839 2 83 LYS QB 2 84 HIS HA 4.900 . 7.300 4.416 3.733 4.960 . 0 0 "[ . 1 . 2]" 1
840 2 83 LYS QB 2 84 HIS HD2 3.900 . 5.900 4.397 2.566 5.861 . 0 0 "[ . 1 . 2]" 1
841 2 84 HIS HA 2 84 HIS HD2 4.800 . 7.200 4.671 3.919 4.918 . 0 0 "[ . 1 . 2]" 1
842 2 85 MET HA 2 85 MET ME 4.300 . 6.400 3.903 3.277 4.322 . 0 0 "[ . 1 . 2]" 1
843 2 85 MET HA 2 85 MET QG 3.200 . 4.700 2.515 2.251 2.754 . 0 0 "[ . 1 . 2]" 1
844 2 85 MET QB 2 85 MET ME 2.700 . 4.100 2.961 2.102 3.626 . 0 0 "[ . 1 . 2]" 1
845 2 85 MET ME 2 85 MET QG 2.900 . 4.300 2.164 2.121 2.232 . 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 47
_Distance_constraint_stats_list.Viol_count 237
_Distance_constraint_stats_list.Viol_total 438.346
_Distance_constraint_stats_list.Viol_max 0.319
_Distance_constraint_stats_list.Viol_rms 0.0561
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0233
_Distance_constraint_stats_list.Viol_average_violations_only 0.0925
_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 23 GLU 1.691 0.167 6 0 "[ . 1 . 2]"
1 24 PHE 0.340 0.072 4 0 "[ . 1 . 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 3.972 0.222 2 0 "[ . 1 . 2]"
1 27 LYS 6.974 0.319 18 0 "[ . 1 . 2]"
1 28 MET 0.340 0.072 4 0 "[ . 1 . 2]"
1 29 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 3.972 0.222 2 0 "[ . 1 . 2]"
1 31 VAL 5.283 0.319 18 0 "[ . 1 . 2]"
2 30 SER 0.235 0.086 19 0 "[ . 1 . 2]"
2 32 LEU 0.011 0.008 10 0 "[ . 1 . 2]"
2 35 SER 2.317 0.135 17 0 "[ . 1 . 2]"
2 36 GLU 3.657 0.228 5 0 "[ . 1 . 2]"
2 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 ASP 2.394 0.135 17 0 "[ . 1 . 2]"
2 40 ARG 3.657 0.228 5 0 "[ . 1 . 2]"
2 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 THR 0.078 0.043 2 0 "[ . 1 . 2]"
2 52 VAL 1.543 0.145 5 0 "[ . 1 . 2]"
2 53 ASP 0.299 0.058 8 0 "[ . 1 . 2]"
2 54 GLY 0.377 0.105 11 0 "[ . 1 . 2]"
2 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 CYS 1.842 0.145 5 0 "[ . 1 . 2]"
2 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 GLU 0.377 0.105 11 0 "[ . 1 . 2]"
2 59 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 LYS 0.632 0.061 18 0 "[ . 1 . 2]"
2 66 SER 0.025 0.010 14 0 "[ . 1 . 2]"
2 69 GLY 0.025 0.010 14 0 "[ . 1 . 2]"
2 71 VAL 0.632 0.061 18 0 "[ . 1 . 2]"
2 72 ILE 0.011 0.008 10 0 "[ . 1 . 2]"
2 74 ALA 0.235 0.086 19 0 "[ . 1 . 2]"
2 75 GLU 1.366 0.165 14 0 "[ . 1 . 2]"
2 76 ASP 0.007 0.007 17 0 "[ . 1 . 2]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 GLN 0.085 0.039 16 0 "[ . 1 . 2]"
2 79 LEU 1.366 0.165 14 0 "[ . 1 . 2]"
2 80 ALA 0.007 0.007 17 0 "[ . 1 . 2]"
2 81 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 ASN 0.085 0.039 16 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 23 GLU O 1 27 LYS H 1.900 . 2.500 2.564 2.275 2.667 0.167 6 0 "[ . 1 . 2]" 2
2 1 23 GLU O 1 27 LYS N 2.900 2.400 3.600 3.280 2.988 3.446 . 0 0 "[ . 1 . 2]" 2
3 1 24 PHE O 1 28 MET H 1.900 . 2.500 2.385 1.859 2.572 0.072 4 0 "[ . 1 . 2]" 2
4 1 24 PHE O 1 28 MET N 2.900 2.400 3.600 3.053 2.597 3.316 . 0 0 "[ . 1 . 2]" 2
5 1 25 CYS O 1 29 ASN H 1.900 . 2.500 2.180 1.993 2.393 . 0 0 "[ . 1 . 2]" 2
6 1 25 CYS O 1 29 ASN N 2.900 2.400 3.600 2.996 2.801 3.153 . 0 0 "[ . 1 . 2]" 2
7 1 26 SER O 1 30 GLN H 1.900 . 2.500 2.692 2.651 2.722 0.222 2 0 "[ . 1 . 2]" 2
8 1 26 SER O 1 30 GLN N 2.900 2.400 3.600 3.593 3.522 3.634 0.034 14 0 "[ . 1 . 2]" 2
9 1 27 LYS O 1 31 VAL H 1.900 . 2.500 2.747 2.678 2.819 0.319 18 0 "[ . 1 . 2]" 2
10 1 27 LYS O 1 31 VAL N 2.900 2.400 3.600 3.615 3.569 3.647 0.047 18 0 "[ . 1 . 2]" 2
11 2 30 SER O 2 74 ALA H 1.900 . 2.500 2.374 1.870 2.586 0.086 19 0 "[ . 1 . 2]" 2
12 2 30 SER O 2 74 ALA N 2.900 2.400 3.600 3.248 2.799 3.434 . 0 0 "[ . 1 . 2]" 2
13 2 32 LEU O 2 72 ILE H 1.900 . 2.500 1.998 1.517 2.508 0.008 10 0 "[ . 1 . 2]" 2
14 2 32 LEU O 2 72 ILE N 2.900 2.400 3.600 2.889 2.408 3.387 . 0 0 "[ . 1 . 2]" 2
15 2 35 SER O 2 39 ASP H 1.900 . 2.500 2.616 2.590 2.635 0.135 17 0 "[ . 1 . 2]" 2
16 2 36 GLU O 2 40 ARG H 1.900 . 2.500 2.675 2.591 2.728 0.228 5 0 "[ . 1 . 2]" 2
17 2 36 GLU O 2 40 ARG N 2.900 2.400 3.600 3.590 3.451 3.642 0.042 5 0 "[ . 1 . 2]" 2
18 2 37 ILE O 2 41 ILE H 1.900 . 2.500 1.915 1.746 2.226 . 0 0 "[ . 1 . 2]" 2
19 2 37 ILE O 2 41 ILE N 2.900 2.400 3.600 2.794 2.688 2.982 . 0 0 "[ . 1 . 2]" 2
20 2 38 TRP O 2 42 THR H 1.900 . 2.500 1.959 1.569 2.431 . 0 0 "[ . 1 . 2]" 2
21 2 38 TRP O 2 42 THR N 2.900 2.400 3.600 2.914 2.485 3.333 . 0 0 "[ . 1 . 2]" 2
22 2 39 ASP O 2 43 THR H 1.900 . 2.500 2.251 1.765 2.543 0.043 2 0 "[ . 1 . 2]" 2
23 2 39 ASP O 2 43 THR N 2.900 2.400 3.600 3.202 2.732 3.484 . 0 0 "[ . 1 . 2]" 2
24 2 52 VAL O 2 56 CYS H 1.900 . 2.500 2.574 2.437 2.645 0.145 5 0 "[ . 1 . 2]" 2
25 2 52 VAL O 2 56 CYS N 2.900 2.400 3.600 3.276 3.019 3.458 . 0 0 "[ . 1 . 2]" 2
26 2 53 ASP O 2 56 CYS H 1.900 . 2.500 2.423 2.199 2.558 0.058 8 0 "[ . 1 . 2]" 2
27 2 53 ASP O 2 57 SER N 2.900 2.400 3.600 3.379 3.195 3.535 . 0 0 "[ . 1 . 2]" 2
28 2 54 GLY O 2 58 GLU H 1.900 . 2.500 2.452 2.108 2.605 0.105 11 0 "[ . 1 . 2]" 2
29 2 54 GLY O 2 58 GLU N 2.900 2.400 3.600 3.052 2.873 3.207 . 0 0 "[ . 1 . 2]" 2
30 2 55 LEU O 2 59 LEU H 1.900 . 2.500 1.895 1.634 2.379 . 0 0 "[ . 1 . 2]" 2
31 2 55 LEU O 2 59 LEU N 2.900 2.400 3.600 2.831 2.490 3.304 . 0 0 "[ . 1 . 2]" 2
32 2 56 CYS O 2 60 MET H 1.900 . 2.500 2.197 1.911 2.355 . 0 0 "[ . 1 . 2]" 2
33 2 56 CYS O 2 60 MET N 2.900 2.400 3.600 3.026 2.779 3.192 . 0 0 "[ . 1 . 2]" 2
34 2 64 LYS O 2 71 VAL H 1.900 . 2.500 2.532 2.508 2.561 0.061 18 0 "[ . 1 . 2]" 2
35 2 64 LYS O 2 71 VAL N 2.900 2.400 3.600 3.399 3.187 3.497 . 0 0 "[ . 1 . 2]" 2
36 2 66 SER O 2 69 GLY H 1.900 . 2.500 2.356 2.053 2.510 0.010 14 0 "[ . 1 . 2]" 2
37 2 66 SER O 2 69 GLY N 2.900 2.400 3.600 2.974 2.728 3.157 . 0 0 "[ . 1 . 2]" 2
38 2 74 ALA O 2 78 GLN H 1.900 . 2.500 2.209 1.974 2.358 . 0 0 "[ . 1 . 2]" 2
39 2 74 ALA O 2 78 GLN N 2.900 2.400 3.600 3.077 2.835 3.230 . 0 0 "[ . 1 . 2]" 2
40 2 75 GLU O 2 79 LEU H 1.900 . 2.500 2.568 2.501 2.665 0.165 14 0 "[ . 1 . 2]" 2
41 2 75 GLU O 2 79 LEU N 2.900 2.400 3.600 3.354 3.269 3.485 . 0 0 "[ . 1 . 2]" 2
42 2 76 ASP O 2 80 ALA H 1.900 . 2.500 2.022 1.716 2.507 0.007 17 0 "[ . 1 . 2]" 2
43 2 76 ASP O 2 80 ALA N 2.900 2.400 3.600 2.746 2.479 3.120 . 0 0 "[ . 1 . 2]" 2
44 2 77 VAL O 2 81 LEU H 1.900 . 2.500 1.676 1.507 2.038 . 0 0 "[ . 1 . 2]" 2
45 2 77 VAL O 2 81 LEU N 2.900 2.400 3.600 2.603 2.451 2.831 . 0 0 "[ . 1 . 2]" 2
46 2 78 GLN O 2 82 ASN H 1.900 . 2.500 2.363 2.164 2.539 0.039 16 0 "[ . 1 . 2]" 2
47 2 78 GLN O 2 82 ASN N 2.900 2.400 3.600 3.103 2.972 3.258 . 0 0 "[ . 1 . 2]" 2
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