NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477553 |
2kyu   |
16983 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kyu
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 766
_Distance_constraint_stats_list.Viol_count 804
_Distance_constraint_stats_list.Viol_total 415.210
_Distance_constraint_stats_list.Viol_max 0.228
_Distance_constraint_stats_list.Viol_rms 0.0221
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0516
_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 ALA 0.000 0.000 . 0 "[ . 1]"
1 4 LYS 0.000 0.000 . 0 "[ . 1]"
1 5 GLY 0.000 0.000 . 0 "[ . 1]"
1 6 ASN 0.090 0.089 5 0 "[ . 1]"
1 7 PHE 0.015 0.012 9 0 "[ . 1]"
1 8 CYS 0.897 0.136 4 0 "[ . 1]"
1 9 PRO 0.587 0.084 4 0 "[ . 1]"
1 10 LEU 0.960 0.107 1 0 "[ . 1]"
1 11 CYS 0.000 0.000 . 0 "[ . 1]"
1 12 ASP 1.999 0.228 4 0 "[ . 1]"
1 13 LYS 0.740 0.125 4 0 "[ . 1]"
1 14 CYS 1.125 0.137 2 0 "[ . 1]"
1 15 TYR 2.954 0.180 5 0 "[ . 1]"
1 16 ASP 3.055 0.180 5 0 "[ . 1]"
1 17 ASP 0.386 0.058 5 0 "[ . 1]"
1 18 ASP 0.566 0.058 5 0 "[ . 1]"
1 19 ASP 0.210 0.049 10 0 "[ . 1]"
1 20 TYR 2.208 0.176 8 0 "[ . 1]"
1 21 GLU 1.888 0.176 8 0 "[ . 1]"
1 22 SER 0.923 0.064 4 0 "[ . 1]"
1 23 LYS 0.211 0.043 2 0 "[ . 1]"
1 24 MET 0.303 0.058 4 0 "[ . 1]"
1 25 MET 1.801 0.110 4 0 "[ . 1]"
1 26 GLN 0.967 0.110 4 0 "[ . 1]"
1 27 CYS 2.227 0.102 4 0 "[ . 1]"
1 28 GLY 0.007 0.007 9 0 "[ . 1]"
1 29 LYS 0.786 0.079 6 0 "[ . 1]"
1 30 CYS 1.501 0.099 4 0 "[ . 1]"
1 31 ASP 0.795 0.099 4 0 "[ . 1]"
1 32 ARG 0.159 0.052 9 0 "[ . 1]"
1 33 TRP 0.208 0.089 5 0 "[ . 1]"
1 34 VAL 0.420 0.081 4 0 "[ . 1]"
1 35 HIS 2.193 0.228 4 0 "[ . 1]"
1 36 SER 0.474 0.070 1 0 "[ . 1]"
1 37 LYS 0.000 0.000 . 0 "[ . 1]"
1 38 CYS 0.963 0.132 4 0 "[ . 1]"
1 39 GLU 0.606 0.081 4 0 "[ . 1]"
1 40 ASN 0.000 0.000 . 0 "[ . 1]"
1 41 LEU 0.911 0.047 10 0 "[ . 1]"
1 42 SER 0.000 0.000 . 0 "[ . 1]"
1 43 ASP 2.596 0.182 9 0 "[ . 1]"
1 44 GLU 6.648 0.182 3 0 "[ . 1]"
1 45 MET 3.586 0.182 3 0 "[ . 1]"
1 46 TYR 1.422 0.066 6 0 "[ . 1]"
1 47 GLU 1.722 0.101 4 0 "[ . 1]"
1 48 ILE 1.685 0.082 9 0 "[ . 1]"
1 49 LEU 2.428 0.171 9 0 "[ . 1]"
1 50 SER 1.690 0.171 9 0 "[ . 1]"
1 51 ASN 0.000 0.000 . 0 "[ . 1]"
1 52 LEU 2.657 0.142 8 0 "[ . 1]"
1 53 PRO 2.145 0.142 8 0 "[ . 1]"
1 54 GLU 0.458 0.047 2 0 "[ . 1]"
1 55 SER 0.000 0.000 . 0 "[ . 1]"
1 56 VAL 2.385 0.185 4 0 "[ . 1]"
1 57 ALA 1.746 0.185 4 0 "[ . 1]"
1 58 TYR 2.122 0.123 8 0 "[ . 1]"
1 59 THR 2.955 0.123 8 0 "[ . 1]"
1 60 CYS 1.385 0.102 4 0 "[ . 1]"
1 61 VAL 0.933 0.067 1 0 "[ . 1]"
1 62 ASN 2.170 0.172 8 0 "[ . 1]"
1 63 CYS 0.138 0.026 7 0 "[ . 1]"
1 64 THR 4.509 0.192 2 0 "[ . 1]"
1 65 GLU 0.612 0.161 7 0 "[ . 1]"
1 66 ARG 0.128 0.057 4 0 "[ . 1]"
1 67 HIS 0.057 0.057 4 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 GLY QA 1 29 LYS H 1.800 . 4.200 2.864 2.856 2.872 . 0 0 "[ . 1]" 1
2 1 24 MET ME 1 33 TRP HE1 1.800 . 4.200 4.004 3.731 4.181 . 0 0 "[ . 1]" 1
3 1 25 MET ME 1 46 TYR QD 1.800 . 4.200 2.800 2.602 3.033 . 0 0 "[ . 1]" 1
4 1 25 MET ME 1 46 TYR HA 1.800 . 3.300 3.203 3.055 3.318 0.018 3 0 "[ . 1]" 1
5 1 28 GLY QA 1 57 ALA MB 1.800 . 4.200 2.710 2.392 2.909 . 0 0 "[ . 1]" 1
6 1 66 ARG QD 1 66 ARG QG 1.800 . 3.300 2.036 1.982 2.077 . 0 0 "[ . 1]" 1
7 1 32 ARG H 1 32 ARG QD 1.800 . 4.200 3.833 2.455 4.252 0.052 9 0 "[ . 1]" 1
8 1 32 ARG HA 1 32 ARG QD 1.800 . 4.200 3.026 2.199 3.931 . 0 0 "[ . 1]" 1
9 1 32 ARG QB 1 32 ARG QD 1.800 . 3.300 2.122 1.942 2.475 . 0 0 "[ . 1]" 1
10 1 66 ARG QB 1 66 ARG QD 1.800 . 4.200 2.089 1.919 2.381 . 0 0 "[ . 1]" 1
11 1 41 LEU H 1 41 LEU QB 1.800 . 3.300 2.212 2.177 2.245 . 0 0 "[ . 1]" 1
12 1 48 ILE H 1 48 ILE MD 1.800 . 3.300 2.931 2.878 2.958 . 0 0 "[ . 1]" 1
13 1 45 MET HA 1 48 ILE MD 1.800 . 3.300 1.781 1.775 1.786 0.025 9 0 "[ . 1]" 1
14 1 48 ILE HA 1 48 ILE MD 1.800 . 4.200 3.761 3.718 3.779 . 0 0 "[ . 1]" 1
15 1 48 ILE HB 1 48 ILE MD 1.800 . 3.300 2.118 2.085 2.161 . 0 0 "[ . 1]" 1
16 1 48 ILE MD 1 48 ILE QG 1.800 . 2.800 1.852 1.847 1.857 . 0 0 "[ . 1]" 1
17 1 44 GLU HA 1 48 ILE MD 1.800 . 4.200 3.980 3.913 4.037 . 0 0 "[ . 1]" 1
18 1 10 LEU QB 1 11 CYS H 1.800 . 4.200 2.322 2.147 2.485 . 0 0 "[ . 1]" 1
19 1 10 LEU H 1 10 LEU QB 1.800 . 4.200 2.747 2.616 2.937 . 0 0 "[ . 1]" 1
20 1 10 LEU QB 1 10 LEU MD1 1.800 . 4.200 2.067 2.030 2.093 . 0 0 "[ . 1]" 1
21 1 13 LYS QB 1 13 LYS QE 1.800 . 4.200 3.155 2.712 3.465 . 0 0 "[ . 1]" 1
22 1 23 LYS QD 1 23 LYS QE 1.800 . 3.300 2.051 2.019 2.088 . 0 0 "[ . 1]" 1
23 1 29 LYS QE 1 59 THR MG 1.800 . 4.200 2.959 2.510 3.252 . 0 0 "[ . 1]" 1
24 1 23 LYS QE 1 46 TYR QE 1.800 . 4.200 3.270 2.561 3.886 . 0 0 "[ . 1]" 1
25 1 49 LEU H 1 49 LEU QB 1.800 . 2.800 2.782 2.768 2.802 0.002 10 0 "[ . 1]" 1
26 1 49 LEU QB 1 50 SER H 1.800 . 4.200 2.560 2.525 2.613 . 0 0 "[ . 1]" 1
27 1 52 LEU H 1 52 LEU QB 1.800 . 3.300 2.144 2.118 2.162 . 0 0 "[ . 1]" 1
28 1 52 LEU QB 1 53 PRO QD 1.800 . 3.300 1.894 1.853 1.949 . 0 0 "[ . 1]" 1
29 1 7 PHE H 1 7 PHE QB 1.800 . 3.300 2.981 2.778 3.312 0.012 9 0 "[ . 1]" 1
30 1 7 PHE QB 1 8 CYS H 1.800 . 4.200 2.916 2.329 3.654 . 0 0 "[ . 1]" 1
31 1 59 THR HB 1 60 CYS H 1.800 . 4.200 3.755 3.644 3.909 . 0 0 "[ . 1]" 1
32 1 59 THR HB 1 63 CYS QB 1.800 . 4.200 3.794 3.497 4.172 . 0 0 "[ . 1]" 1
33 1 59 THR HB 1 64 THR MG 1.800 . 4.200 3.524 1.872 4.227 0.027 6 0 "[ . 1]" 1
34 1 59 THR H 1 59 THR HB 1.800 . 4.200 3.007 2.815 3.145 . 0 0 "[ . 1]" 1
35 1 26 GLN QE 1 31 ASP QB 1.800 . 4.200 2.716 2.369 3.112 . 0 0 "[ . 1]" 1
36 1 43 ASP H 1 43 ASP QB 1.800 . 3.300 2.139 2.048 2.251 . 0 0 "[ . 1]" 1
37 1 43 ASP QB 1 44 GLU H 1.800 . 3.300 2.667 2.635 2.703 . 0 0 "[ . 1]" 1
38 1 51 ASN H 1 51 ASN QB 1.800 . 3.300 2.248 2.181 2.411 . 0 0 "[ . 1]" 1
39 1 58 TYR QB 1 58 TYR QE 1.800 . 4.200 3.930 3.921 3.935 . 0 0 "[ . 1]" 1
40 1 48 ILE MG 1 51 ASN QB 1.800 . 4.200 3.976 3.897 4.081 . 0 0 "[ . 1]" 1
41 1 58 TYR H 1 58 TYR QB 1.800 . 3.300 2.358 2.343 2.377 . 0 0 "[ . 1]" 1
42 1 25 MET ME 1 58 TYR QB 1.800 . 4.200 3.054 2.952 3.256 . 0 0 "[ . 1]" 1
43 1 49 LEU MD2 1 58 TYR QB 1.800 . 4.200 4.173 4.111 4.193 . 0 0 "[ . 1]" 1
44 1 64 THR H 1 64 THR HB 1.800 . 3.300 2.475 2.040 3.492 0.192 2 0 "[ . 1]" 1
45 1 64 THR HA 1 64 THR HB 1.800 . 2.800 2.791 2.526 2.889 0.089 7 0 "[ . 1]" 1
46 1 6 ASN QB 1 33 TRP HA 1.800 . 5.500 4.628 3.801 5.488 . 0 0 "[ . 1]" 1
47 1 15 TYR QB 1 16 ASP H 1.800 . 2.800 2.626 2.490 2.902 0.102 6 0 "[ . 1]" 1
48 1 62 ASN QB 1 63 CYS H 1.800 . 2.800 2.540 2.481 2.648 . 0 0 "[ . 1]" 1
49 1 15 TYR H 1 15 TYR QB 1.800 . 3.300 3.349 3.334 3.375 0.075 8 0 "[ . 1]" 1
50 1 20 TYR QB 1 21 GLU H 1.800 . 4.200 3.220 3.066 3.277 . 0 0 "[ . 1]" 1
51 1 48 ILE H 1 48 ILE HB 1.800 . 2.800 2.421 2.393 2.438 . 0 0 "[ . 1]" 1
52 1 48 ILE HB 1 49 LEU H 1.800 . 4.200 2.807 2.766 2.878 . 0 0 "[ . 1]" 1
53 1 20 TYR H 1 20 TYR QB 1.800 . 3.300 2.762 2.711 2.822 . 0 0 "[ . 1]" 1
54 1 45 MET HA 1 48 ILE HB 1.800 . 4.200 2.885 2.787 2.944 . 0 0 "[ . 1]" 1
55 1 20 TYR HA 1 20 TYR QB 1.800 . 2.800 2.178 2.167 2.184 . 0 0 "[ . 1]" 1
56 1 20 TYR QB 1 21 GLU HA 1.800 . 4.200 4.219 4.167 4.235 0.035 9 0 "[ . 1]" 1
57 1 46 TYR H 1 46 TYR QB 1.800 . 3.300 2.253 2.234 2.267 . 0 0 "[ . 1]" 1
58 1 46 TYR QB 1 47 GLU H 1.800 . 3.300 2.752 2.718 2.769 . 0 0 "[ . 1]" 1
59 1 46 TYR QB 1 46 TYR QE 1.800 . 4.200 3.929 3.918 3.939 . 0 0 "[ . 1]" 1
60 1 43 ASP HA 1 46 TYR QB 1.800 . 3.300 2.264 2.211 2.313 . 0 0 "[ . 1]" 1
61 1 24 MET QB 1 33 TRP HE1 1.800 . 4.200 1.992 1.867 2.237 . 0 0 "[ . 1]" 1
62 1 24 MET QB 1 24 MET QG 1.800 . 4.200 2.069 2.002 2.086 . 0 0 "[ . 1]" 1
63 1 44 GLU H 1 44 GLU QG 1.800 . 3.300 3.351 3.338 3.375 0.075 6 0 "[ . 1]" 1
64 1 21 GLU H 1 21 GLU QG 1.800 . 4.200 3.407 1.962 4.056 . 0 0 "[ . 1]" 1
65 1 44 GLU QG 1 45 MET H 1.800 . 4.200 2.293 2.268 2.326 . 0 0 "[ . 1]" 1
66 1 44 GLU HA 1 44 GLU QG 1.800 . 3.300 3.087 3.075 3.100 . 0 0 "[ . 1]" 1
67 1 39 GLU QG 1 41 LEU MD2 1.800 . 4.200 3.629 3.362 3.945 . 0 0 "[ . 1]" 1
68 1 39 GLU QG 1 58 TYR QE 1.800 . 4.200 3.454 3.160 3.838 . 0 0 "[ . 1]" 1
69 1 34 VAL MG1 1 39 GLU QG 1.800 . 4.200 2.778 1.954 3.414 . 0 0 "[ . 1]" 1
70 1 39 GLU HA 1 39 GLU QG 1.800 . 3.300 2.780 2.437 3.008 . 0 0 "[ . 1]" 1
71 1 47 GLU QG 1 48 ILE H 1.800 . 4.200 4.232 4.214 4.259 0.059 9 0 "[ . 1]" 1
72 1 47 GLU H 1 47 GLU QG 1.800 . 3.300 2.712 2.667 2.789 . 0 0 "[ . 1]" 1
73 1 47 GLU HA 1 47 GLU QG 1.800 . 3.300 2.281 2.184 2.382 . 0 0 "[ . 1]" 1
74 1 34 VAL H 1 34 VAL HB 1.800 . 4.200 2.742 2.670 2.823 . 0 0 "[ . 1]" 1
75 1 60 CYS HA 1 61 VAL HA 1.800 . 4.200 4.233 4.219 4.241 0.041 8 0 "[ . 1]" 1
76 1 61 VAL HA 1 64 THR HB 1.800 . 4.200 3.009 2.581 3.890 . 0 0 "[ . 1]" 1
77 1 61 VAL HA 1 61 VAL MG1 1.800 . 3.300 3.181 3.166 3.191 . 0 0 "[ . 1]" 1
78 1 61 VAL HA 1 62 ASN H 1.800 . 4.200 3.560 3.551 3.565 . 0 0 "[ . 1]" 1
79 1 25 MET QB 1 26 GLN H 1.800 . 3.300 3.376 3.330 3.410 0.110 4 0 "[ . 1]" 1
80 1 42 SER QB 1 44 GLU H 1.800 . 3.300 2.934 2.729 3.038 . 0 0 "[ . 1]" 1
81 1 25 MET QB 1 25 MET QG 1.800 . 3.300 1.991 1.976 2.003 . 0 0 "[ . 1]" 1
82 1 42 SER QB 1 43 ASP H 1.800 . 4.200 2.927 2.802 3.251 . 0 0 "[ . 1]" 1
83 1 42 SER H 1 42 SER QB 1.800 . 3.300 2.464 2.076 2.829 . 0 0 "[ . 1]" 1
84 1 47 GLU QB 1 48 ILE HA 1.800 . 4.200 3.841 3.817 3.857 . 0 0 "[ . 1]" 1
85 1 48 ILE HA 1 49 LEU H 1.800 . 4.200 3.572 3.561 3.576 . 0 0 "[ . 1]" 1
86 1 48 ILE HA 1 51 ASN QB 1.800 . 4.200 2.552 2.459 2.660 . 0 0 "[ . 1]" 1
87 1 48 ILE HA 1 48 ILE QG 1.800 . 3.300 2.287 2.241 2.307 . 0 0 "[ . 1]" 1
88 1 48 ILE HA 1 48 ILE MG 1.800 . 2.800 2.530 2.503 2.558 . 0 0 "[ . 1]" 1
89 1 64 THR HA 1 65 GLU H 1.800 . 3.300 3.343 3.266 3.461 0.161 7 0 "[ . 1]" 1
90 1 22 SER H 1 22 SER QB 1.800 . 3.300 2.232 2.116 2.418 . 0 0 "[ . 1]" 1
91 1 53 PRO QG 1 55 SER QB 1.800 . 4.200 2.269 1.975 3.109 . 0 0 "[ . 1]" 1
92 1 64 THR HA 1 64 THR MG 1.800 . 2.800 2.683 2.239 2.881 0.081 10 0 "[ . 1]" 1
93 1 59 THR MG 1 64 THR HA 1.800 . 3.300 3.255 3.089 3.322 0.022 8 0 "[ . 1]" 1
94 1 22 SER QB 1 23 LYS H 1.800 . 4.200 3.715 3.508 4.040 . 0 0 "[ . 1]" 1
95 1 22 SER HA 1 22 SER QB 1.800 . 2.800 2.441 2.180 2.525 . 0 0 "[ . 1]" 1
96 1 29 LYS QB 1 63 CYS QB 1.800 . 3.300 2.472 2.352 2.638 . 0 0 "[ . 1]" 1
97 1 29 LYS QB 1 29 LYS QD 1.800 . 4.200 2.024 1.956 2.132 . 0 0 "[ . 1]" 1
98 1 29 LYS QB 1 29 LYS QG 1.800 . 4.200 2.064 2.046 2.086 . 0 0 "[ . 1]" 1
99 1 55 SER HA 1 55 SER QB 1.800 . 2.800 2.466 2.291 2.542 . 0 0 "[ . 1]" 1
100 1 52 LEU QB 1 55 SER QB 1.800 . 4.200 3.736 3.563 3.979 . 0 0 "[ . 1]" 1
101 1 29 LYS QB 1 59 THR MG 1.800 . 4.200 2.128 1.934 2.376 . 0 0 "[ . 1]" 1
102 1 53 PRO HA 1 54 GLU H 1.800 . 3.300 3.139 2.839 3.199 . 0 0 "[ . 1]" 1
103 1 50 SER H 1 50 SER QB 1.800 . 3.300 2.223 2.046 2.608 . 0 0 "[ . 1]" 1
104 1 50 SER HA 1 50 SER QB 1.800 . 2.800 2.460 2.293 2.539 . 0 0 "[ . 1]" 1
105 1 26 GLN QB 1 26 GLN QG 1.800 . 4.200 2.064 2.045 2.085 . 0 0 "[ . 1]" 1
106 1 56 VAL H 1 56 VAL HB 1.800 . 3.300 2.872 2.841 2.902 . 0 0 "[ . 1]" 1
107 1 29 LYS QD 1 63 CYS HA 1.800 . 4.200 3.911 3.280 4.169 . 0 0 "[ . 1]" 1
108 1 59 THR MG 1 63 CYS HA 1.800 . 4.200 4.139 3.981 4.214 0.014 3 0 "[ . 1]" 1
109 1 26 GLN QG 1 27 CYS H 1.800 . 4.200 3.191 3.074 3.325 . 0 0 "[ . 1]" 1
110 1 63 CYS HA 1 64 THR H 1.800 . 4.200 3.497 3.489 3.506 . 0 0 "[ . 1]" 1
111 1 26 GLN QG 1 31 ASP HA 1.800 . 4.200 2.874 2.765 2.973 . 0 0 "[ . 1]" 1
112 1 63 CYS HA 1 63 CYS QB 1.800 . 2.800 2.451 2.426 2.486 . 0 0 "[ . 1]" 1
113 1 24 MET HA 1 24 MET QG 1.800 . 4.200 2.444 2.197 2.853 . 0 0 "[ . 1]" 1
114 1 26 GLN HA 1 26 GLN QG 1.800 . 4.200 2.267 2.161 2.346 . 0 0 "[ . 1]" 1
115 1 24 MET H 1 24 MET QG 1.800 . 4.200 2.902 2.573 3.307 . 0 0 "[ . 1]" 1
116 1 24 MET ME 1 24 MET QG 1.800 . 3.300 2.264 2.078 2.399 . 0 0 "[ . 1]" 1
117 1 45 MET H 1 45 MET QG 1.800 . 3.300 2.429 2.390 2.470 . 0 0 "[ . 1]" 1
118 1 24 MET QG 1 35 HIS HA 1.800 . 4.200 2.315 1.804 3.818 . 0 0 "[ . 1]" 1
119 1 37 LYS QB 1 37 LYS QG 1.800 . 3.300 2.048 2.006 2.084 . 0 0 "[ . 1]" 1
120 1 37 LYS QB 1 38 CYS H 1.800 . 4.200 2.592 2.377 2.776 . 0 0 "[ . 1]" 1
121 1 52 LEU HA 1 53 PRO QB 1.800 . 4.200 4.332 4.317 4.342 0.142 8 0 "[ . 1]" 1
122 1 59 THR HA 1 60 CYS QB 1.800 . 4.200 4.217 4.205 4.234 0.034 8 0 "[ . 1]" 1
123 1 60 CYS H 1 60 CYS QB 1.800 . 3.300 2.454 2.426 2.474 . 0 0 "[ . 1]" 1
124 1 60 CYS QB 1 61 VAL H 1.800 . 4.200 2.526 2.373 2.646 . 0 0 "[ . 1]" 1
125 1 53 PRO QB 1 54 GLU H 1.800 . 4.200 3.890 3.856 4.005 . 0 0 "[ . 1]" 1
126 1 46 TYR HA 1 49 LEU H 1.800 . 4.200 3.716 3.676 3.748 . 0 0 "[ . 1]" 1
127 1 30 CYS QB 1 31 ASP H 1.800 . 4.200 3.882 3.852 3.922 . 0 0 "[ . 1]" 1
128 1 46 TYR HA 1 46 TYR QD 1.800 . 3.300 2.993 2.847 3.116 . 0 0 "[ . 1]" 1
129 1 58 TYR QE 1 60 CYS QB 1.800 . 4.200 3.155 3.056 3.218 . 0 0 "[ . 1]" 1
130 1 27 CYS QB 1 60 CYS QB 1.800 . 4.200 2.123 2.007 2.204 . 0 0 "[ . 1]" 1
131 1 34 VAL MG2 1 60 CYS QB 1.800 . 4.200 1.793 1.783 1.804 0.017 3 0 "[ . 1]" 1
132 1 30 CYS H 1 30 CYS QB 1.800 . 3.300 2.867 2.831 2.925 . 0 0 "[ . 1]" 1
133 1 46 TYR HA 1 47 GLU H 1.800 . 4.200 3.483 3.481 3.486 . 0 0 "[ . 1]" 1
134 1 30 CYS HA 1 30 CYS QB 1.800 . 2.800 2.183 2.177 2.189 . 0 0 "[ . 1]" 1
135 1 29 LYS HA 1 30 CYS QB 1.800 . 5.500 5.150 5.114 5.198 . 0 0 "[ . 1]" 1
136 1 45 MET HA 1 45 MET QB 1.800 . 2.800 2.176 2.173 2.178 . 0 0 "[ . 1]" 1
137 1 30 CYS QB 1 32 ARG QD 1.800 . 4.200 3.634 2.730 4.031 . 0 0 "[ . 1]" 1
138 1 46 TYR HA 1 49 LEU QB 1.800 . 4.200 4.073 4.044 4.109 . 0 0 "[ . 1]" 1
139 1 9 PRO QB 1 10 LEU MD2 1.800 . 4.200 2.949 2.234 4.111 . 0 0 "[ . 1]" 1
140 1 61 VAL H 1 61 VAL HB 1.800 . 4.200 2.555 2.527 2.585 . 0 0 "[ . 1]" 1
141 1 11 CYS QB 1 12 ASP H 1.800 . 4.200 3.162 2.718 3.366 . 0 0 "[ . 1]" 1
142 1 8 CYS H 1 8 CYS QB 1.800 . 3.300 2.122 2.002 2.186 . 0 0 "[ . 1]" 1
143 1 60 CYS QB 1 63 CYS H 1.800 . 4.200 3.907 3.839 3.976 . 0 0 "[ . 1]" 1
144 1 56 VAL HA 1 57 ALA H 1.800 . 3.300 2.491 2.418 2.516 . 0 0 "[ . 1]" 1
145 1 45 MET H 1 45 MET QB 1.800 . 2.800 2.478 2.459 2.510 . 0 0 "[ . 1]" 1
146 1 8 CYS QB 1 35 HIS HE1 1.800 . 4.200 3.974 3.737 4.265 0.065 3 0 "[ . 1]" 1
147 1 25 MET QG 1 41 LEU MD1 1.800 . 4.200 2.760 1.772 3.344 0.028 1 0 "[ . 1]" 1
148 1 25 MET QG 1 58 TYR QD 1.800 . 4.200 2.627 2.394 3.116 . 0 0 "[ . 1]" 1
149 1 25 MET HA 1 25 MET QG 1.800 . 4.200 2.740 2.394 2.894 . 0 0 "[ . 1]" 1
150 1 27 CYS QB 1 60 CYS H 1.800 . 3.300 2.846 2.762 2.903 . 0 0 "[ . 1]" 1
151 1 27 CYS H 1 27 CYS QB 1.800 . 3.300 2.206 2.180 2.223 . 0 0 "[ . 1]" 1
152 1 27 CYS QB 1 58 TYR QE 1.800 . 4.200 3.592 3.429 3.832 . 0 0 "[ . 1]" 1
153 1 27 CYS QB 1 32 ARG H 1.800 . 3.300 1.913 1.788 2.097 0.012 7 0 "[ . 1]" 1
154 1 32 ARG QB 1 33 TRP H 1.800 . 4.200 3.186 2.701 3.512 . 0 0 "[ . 1]" 1
155 1 27 CYS QB 1 31 ASP H 1.800 . 4.200 2.652 2.434 2.814 . 0 0 "[ . 1]" 1
156 1 32 ARG H 1 32 ARG QB 1.800 . 3.300 2.183 2.053 2.266 . 0 0 "[ . 1]" 1
157 1 66 ARG QB 1 66 ARG QG 1.800 . 2.800 2.056 2.021 2.085 . 0 0 "[ . 1]" 1
158 1 10 LEU HG 1 39 GLU QB 1.800 . 4.200 4.215 4.054 4.254 0.054 4 0 "[ . 1]" 1
159 1 29 LYS QG 1 63 CYS QB 1.800 . 4.200 3.448 3.251 3.598 . 0 0 "[ . 1]" 1
160 1 60 CYS H 1 63 CYS QB 1.800 . 3.300 2.757 2.691 2.962 . 0 0 "[ . 1]" 1
161 1 28 GLY H 1 59 THR HA 1.800 . 4.200 2.593 2.468 2.718 . 0 0 "[ . 1]" 1
162 1 63 CYS H 1 63 CYS QB 1.800 . 2.800 2.223 2.138 2.283 . 0 0 "[ . 1]" 1
163 1 59 THR HA 1 63 CYS QB 1.800 . 4.200 3.711 3.566 3.876 . 0 0 "[ . 1]" 1
164 1 27 CYS HA 1 59 THR HA 1.800 . 4.200 3.236 3.140 3.358 . 0 0 "[ . 1]" 1
165 1 29 LYS QD 1 63 CYS QB 1.800 . 4.200 1.872 1.774 2.009 0.026 7 0 "[ . 1]" 1
166 1 59 THR MG 1 63 CYS QB 1.800 . 3.300 1.957 1.799 2.067 0.001 7 0 "[ . 1]" 1
167 1 59 THR HA 1 60 CYS H 1.800 . 2.800 2.147 2.138 2.160 . 0 0 "[ . 1]" 1
168 1 7 PHE H 1 33 TRP QB 1.800 . 4.200 3.573 2.428 4.153 . 0 0 "[ . 1]" 1
169 1 63 CYS QB 1 64 THR H 1.800 . 4.200 2.616 2.598 2.637 . 0 0 "[ . 1]" 1
170 1 59 THR HA 1 59 THR MG 1.800 . 3.300 2.123 2.019 2.227 . 0 0 "[ . 1]" 1
171 1 63 CYS QB 1 65 GLU H 1.800 . 5.500 4.527 4.296 5.523 0.023 9 0 "[ . 1]" 1
172 1 49 LEU QB 1 50 SER HA 1.800 . 4.200 3.752 3.737 3.769 . 0 0 "[ . 1]" 1
173 1 35 HIS QB 1 38 CYS QB 1.800 . 4.200 1.814 1.762 1.862 0.038 6 0 "[ . 1]" 1
174 1 12 ASP QB 1 38 CYS QB 1.800 . 5.500 5.569 5.483 5.632 0.132 4 0 "[ . 1]" 1
175 1 33 TRP H 1 33 TRP QB 1.800 . 3.300 2.324 2.281 2.414 . 0 0 "[ . 1]" 1
176 1 10 LEU QB 1 38 CYS QB 1.800 . 4.200 3.320 2.306 4.210 0.010 4 0 "[ . 1]" 1
177 1 10 LEU MD1 1 38 CYS QB 1.800 . 4.200 2.776 1.840 3.752 . 0 0 "[ . 1]" 1
178 1 27 CYS HA 1 29 LYS H 1.800 . 4.200 4.045 4.018 4.082 . 0 0 "[ . 1]" 1
179 1 44 GLU HA 1 47 GLU H 1.800 . 4.200 3.216 3.203 3.238 . 0 0 "[ . 1]" 1
180 1 27 CYS H 1 27 CYS HA 1.800 . 2.800 2.797 2.788 2.807 0.007 9 0 "[ . 1]" 1
181 1 54 GLU H 1 54 GLU QB 1.800 . 3.300 3.312 3.286 3.323 0.023 5 0 "[ . 1]" 1
182 1 65 GLU H 1 65 GLU QB 1.800 . 3.300 2.750 2.065 3.339 0.039 7 0 "[ . 1]" 1
183 1 44 GLU HA 1 45 MET H 1.800 . 3.300 3.477 3.474 3.482 0.182 3 0 "[ . 1]" 1
184 1 44 GLU QB 1 45 MET H 1.800 . 2.800 2.873 2.860 2.892 0.092 2 0 "[ . 1]" 1
185 1 27 CYS HA 1 58 TYR QE 1.800 . 4.200 3.853 3.767 4.006 . 0 0 "[ . 1]" 1
186 1 44 GLU HA 1 47 GLU QB 1.800 . 3.300 2.339 2.275 2.392 . 0 0 "[ . 1]" 1
187 1 27 CYS HA 1 28 GLY H 1.800 . 2.800 2.381 2.362 2.394 . 0 0 "[ . 1]" 1
188 1 47 GLU QB 1 49 LEU H 1.800 . 5.500 4.786 4.748 4.805 . 0 0 "[ . 1]" 1
189 1 47 GLU HA 1 50 SER H 1.800 . 4.200 3.314 3.283 3.356 . 0 0 "[ . 1]" 1
190 1 47 GLU QB 1 48 ILE H 1.800 . 3.300 2.697 2.681 2.712 . 0 0 "[ . 1]" 1
191 1 27 CYS HA 1 58 TYR QD 1.800 . 3.300 1.889 1.790 2.036 0.010 6 0 "[ . 1]" 1
192 1 27 CYS HA 1 60 CYS QB 1.800 . 4.200 4.062 4.001 4.113 . 0 0 "[ . 1]" 1
193 1 44 GLU H 1 44 GLU QB 1.800 . 3.300 2.026 2.015 2.032 . 0 0 "[ . 1]" 1
194 1 47 GLU H 1 47 GLU QB 1.800 . 2.800 2.273 2.237 2.303 . 0 0 "[ . 1]" 1
195 1 20 TYR HA 1 20 TYR QD 1.800 . 4.200 3.704 3.685 3.729 . 0 0 "[ . 1]" 1
196 1 34 VAL HA 1 34 VAL MG1 1.800 . 4.200 2.231 2.139 2.330 . 0 0 "[ . 1]" 1
197 1 20 TYR HA 1 21 GLU H 1.800 . 3.300 3.453 3.438 3.476 0.176 8 0 "[ . 1]" 1
198 1 47 GLU HA 1 48 ILE H 1.800 . 4.200 3.518 3.508 3.526 . 0 0 "[ . 1]" 1
199 1 46 TYR QD 1 47 GLU HA 1.800 . 4.200 3.507 3.208 3.823 . 0 0 "[ . 1]" 1
200 1 27 CYS HA 1 34 VAL MG2 1.800 . 4.200 4.190 4.117 4.214 0.014 7 0 "[ . 1]" 1
201 1 48 ILE H 1 48 ILE QG 1.800 . 3.300 2.439 2.388 2.575 . 0 0 "[ . 1]" 1
202 1 30 CYS HA 1 31 ASP H 1.800 . 4.200 3.239 3.195 3.278 . 0 0 "[ . 1]" 1
203 1 22 SER HA 1 23 LYS H 1.800 . 3.300 2.549 2.139 3.216 . 0 0 "[ . 1]" 1
204 1 23 LYS HA 1 23 LYS QD 1.800 . 4.200 2.551 1.923 2.891 . 0 0 "[ . 1]" 1
205 1 29 LYS QD 1 59 THR MG 1.800 . 4.200 1.864 1.808 1.926 . 0 0 "[ . 1]" 1
206 1 26 GLN H 1 26 GLN QB 1.800 . 3.300 2.322 2.304 2.340 . 0 0 "[ . 1]" 1
207 1 58 TYR HA 1 59 THR H 1.800 . 3.300 2.088 2.079 2.096 . 0 0 "[ . 1]" 1
208 1 37 LYS HA 1 38 CYS H 1.800 . 4.200 3.544 3.517 3.578 . 0 0 "[ . 1]" 1
209 1 37 LYS HA 1 39 GLU QB 1.800 . 5.500 5.355 5.225 5.456 . 0 0 "[ . 1]" 1
210 1 37 LYS HA 1 37 LYS QD 1.800 . 4.200 3.437 2.232 4.055 . 0 0 "[ . 1]" 1
211 1 37 LYS HA 1 37 LYS QG 1.800 . 4.200 2.286 2.122 2.437 . 0 0 "[ . 1]" 1
212 1 60 CYS HA 1 61 VAL H 1.800 . 3.300 2.353 2.279 2.417 . 0 0 "[ . 1]" 1
213 1 58 TYR HA 1 58 TYR QD 1.800 . 3.300 3.117 3.083 3.145 . 0 0 "[ . 1]" 1
214 1 58 TYR QE 1 60 CYS HA 1.800 . 3.300 2.791 2.650 2.928 . 0 0 "[ . 1]" 1
215 1 60 CYS HA 1 61 VAL MG1 1.800 . 4.200 3.937 3.828 4.041 . 0 0 "[ . 1]" 1
216 1 14 CYS H 1 14 CYS QB 1.800 . 3.300 2.582 2.069 3.152 . 0 0 "[ . 1]" 1
217 1 11 CYS HA 1 12 ASP H 1.800 . 4.200 3.548 3.529 3.566 . 0 0 "[ . 1]" 1
218 1 14 CYS QB 1 15 TYR H 1.800 . 4.200 3.846 3.399 4.009 . 0 0 "[ . 1]" 1
219 1 13 LYS QE 1 14 CYS QB 1.800 . 4.200 3.457 1.974 4.222 0.022 6 0 "[ . 1]" 1
220 1 14 CYS QB 1 15 TYR QB 1.800 . 4.200 3.678 3.527 3.970 . 0 0 "[ . 1]" 1
221 1 10 LEU H 1 10 LEU HG 1.800 . 4.200 2.268 2.102 2.700 . 0 0 "[ . 1]" 1
222 1 14 CYS HA 1 16 ASP H 1.800 . 4.200 4.030 3.552 4.227 0.027 5 0 "[ . 1]" 1
223 1 14 CYS HA 1 15 TYR H 1.800 . 3.300 2.264 2.129 2.443 . 0 0 "[ . 1]" 1
224 1 32 ARG QD 1 32 ARG QG 1.800 . 4.200 2.053 2.020 2.081 . 0 0 "[ . 1]" 1
225 1 32 ARG H 1 32 ARG QG 1.800 . 4.200 3.686 2.748 4.054 . 0 0 "[ . 1]" 1
226 1 43 ASP HA 1 46 TYR QD 1.800 . 4.200 4.155 4.086 4.209 0.009 8 0 "[ . 1]" 1
227 1 54 GLU HA 1 54 GLU QG 1.800 . 3.300 2.271 2.134 2.368 . 0 0 "[ . 1]" 1
228 1 54 GLU HA 1 54 GLU QB 1.800 . 2.800 2.470 2.358 2.490 . 0 0 "[ . 1]" 1
229 1 29 LYS HA 1 29 LYS QD 1.800 . 4.200 3.785 3.651 3.937 . 0 0 "[ . 1]" 1
230 1 29 LYS HA 1 29 LYS QG 1.800 . 3.300 2.124 2.045 2.225 . 0 0 "[ . 1]" 1
231 1 54 GLU HA 1 55 SER H 1.800 . 4.200 3.125 3.011 3.186 . 0 0 "[ . 1]" 1
232 1 32 ARG QB 1 32 ARG QG 1.800 . 3.300 2.033 1.981 2.085 . 0 0 "[ . 1]" 1
233 1 49 LEU HA 1 56 VAL HB 1.800 . 4.200 4.187 4.156 4.209 0.009 1 0 "[ . 1]" 1
234 1 43 ASP HA 1 44 GLU H 1.800 . 3.300 3.474 3.467 3.482 0.182 9 0 "[ . 1]" 1
235 1 53 PRO QG 1 54 GLU H 1.800 . 5.500 3.528 3.402 4.038 . 0 0 "[ . 1]" 1
236 1 21 GLU HA 1 22 SER H 1.800 . 3.300 3.305 3.277 3.319 0.019 1 0 "[ . 1]" 1
237 1 53 PRO QD 1 53 PRO QG 1.800 . 2.800 1.968 1.964 1.974 . 0 0 "[ . 1]" 1
238 1 21 GLU HA 1 21 GLU QG 1.800 . 3.300 2.368 2.016 3.325 0.025 9 0 "[ . 1]" 1
239 1 49 LEU HA 1 50 SER H 1.800 . 3.300 3.467 3.459 3.471 0.171 9 0 "[ . 1]" 1
240 1 9 PRO QG 1 10 LEU HG 1.800 . 4.200 3.147 2.587 3.998 . 0 0 "[ . 1]" 1
241 1 49 LEU HA 1 52 LEU H 1.800 . 4.200 3.311 3.257 3.353 . 0 0 "[ . 1]" 1
242 1 49 LEU H 1 49 LEU HG 1.800 . 4.200 3.735 3.716 3.759 . 0 0 "[ . 1]" 1
243 1 9 PRO QD 1 9 PRO QG 1.800 . 3.300 1.957 1.941 1.963 . 0 0 "[ . 1]" 1
244 1 24 MET QB 1 35 HIS HA 1.800 . 4.200 3.619 3.223 4.199 . 0 0 "[ . 1]" 1
245 1 25 MET H 1 35 HIS HA 1.800 . 4.200 3.978 3.880 4.142 . 0 0 "[ . 1]" 1
246 1 45 MET HA 1 47 GLU H 1.800 . 4.200 4.065 4.044 4.106 . 0 0 "[ . 1]" 1
247 1 33 TRP HA 1 33 TRP HE1 1.800 . 4.200 3.294 3.097 3.557 . 0 0 "[ . 1]" 1
248 1 24 MET HA 1 35 HIS HA 1.800 . 3.300 2.581 2.372 2.789 . 0 0 "[ . 1]" 1
249 1 66 ARG HA 1 66 ARG QG 1.800 . 3.300 2.606 2.293 3.333 0.033 7 0 "[ . 1]" 1
250 1 33 TRP HA 1 34 VAL H 1.800 . 3.300 2.158 2.132 2.176 . 0 0 "[ . 1]" 1
251 1 26 GLN QE 1 31 ASP HA 1.800 . 4.200 3.915 3.724 4.147 . 0 0 "[ . 1]" 1
252 1 26 GLN HA 1 33 TRP HA 1.800 . 3.300 2.626 2.500 2.706 . 0 0 "[ . 1]" 1
253 1 32 ARG HA 1 33 TRP H 1.800 . 2.800 2.233 2.208 2.261 . 0 0 "[ . 1]" 1
254 1 4 LYS HA 1 5 GLY H 1.800 . 4.200 2.665 2.138 3.490 . 0 0 "[ . 1]" 1
255 1 31 ASP H 1 31 ASP HA 1.800 . 2.800 2.248 2.244 2.256 . 0 0 "[ . 1]" 1
256 1 32 ARG HA 1 33 TRP HD1 1.800 . 4.200 3.650 3.330 3.888 . 0 0 "[ . 1]" 1
257 1 10 LEU HA 1 10 LEU MD2 1.800 . 2.800 2.267 1.932 2.713 . 0 0 "[ . 1]" 1
258 1 23 LYS HA 1 24 MET H 1.800 . 3.300 2.363 2.260 2.570 . 0 0 "[ . 1]" 1
259 1 10 LEU HA 1 11 CYS H 1.800 . 4.200 3.553 3.535 3.569 . 0 0 "[ . 1]" 1
260 1 52 LEU H 1 52 LEU MD1 1.800 . 4.200 3.103 2.975 3.182 . 0 0 "[ . 1]" 1
261 1 52 LEU HA 1 52 LEU MD1 1.800 . 4.200 3.708 3.691 3.726 . 0 0 "[ . 1]" 1
262 1 49 LEU HA 1 52 LEU MD1 1.800 . 2.800 1.927 1.861 2.004 . 0 0 "[ . 1]" 1
263 1 52 LEU MD1 1 53 PRO QD 1.800 . 4.200 3.755 3.715 3.790 . 0 0 "[ . 1]" 1
264 1 52 LEU QB 1 52 LEU MD1 1.800 . 3.300 2.031 1.957 2.077 . 0 0 "[ . 1]" 1
265 1 8 CYS HA 1 9 PRO QG 1.800 . 4.200 3.779 3.538 3.900 . 0 0 "[ . 1]" 1
266 1 13 LYS HA 1 13 LYS QG 1.800 . 4.200 2.506 2.052 3.350 . 0 0 "[ . 1]" 1
267 1 10 LEU MD1 1 39 GLU QB 1.800 . 4.200 3.026 2.077 3.447 . 0 0 "[ . 1]" 1
268 1 41 LEU QB 1 41 LEU MD1 1.800 . 3.300 2.025 1.978 2.077 . 0 0 "[ . 1]" 1
269 1 49 LEU QB 1 52 LEU MD1 1.800 . 4.200 3.434 3.319 3.535 . 0 0 "[ . 1]" 1
270 1 10 LEU HA 1 10 LEU MD1 1.800 . 4.200 3.901 3.848 4.006 . 0 0 "[ . 1]" 1
271 1 8 CYS HA 1 9 PRO QD 1.800 . 3.300 1.923 1.774 2.165 0.026 8 0 "[ . 1]" 1
272 1 36 SER QB 1 41 LEU MD1 1.800 . 4.200 2.915 2.199 3.201 . 0 0 "[ . 1]" 1
273 1 41 LEU MD1 1 45 MET QG 1.800 . 5.500 5.186 5.010 5.300 . 0 0 "[ . 1]" 1
274 1 41 LEU MD1 1 58 TYR QE 1.800 . 5.500 1.889 1.845 1.997 . 0 0 "[ . 1]" 1
275 1 41 LEU HA 1 41 LEU MD1 1.800 . 4.200 3.810 3.799 3.822 . 0 0 "[ . 1]" 1
276 1 17 ASP HA 1 18 ASP H 1.800 . 3.300 3.314 3.295 3.333 0.033 8 0 "[ . 1]" 1
277 1 29 LYS H 1 29 LYS QG 1.800 . 4.200 3.669 2.980 3.805 . 0 0 "[ . 1]" 1
278 1 24 MET HA 1 25 MET H 1.800 . 3.300 2.371 2.285 2.433 . 0 0 "[ . 1]" 1
279 1 24 MET HA 1 36 SER H 1.800 . 4.200 2.179 1.961 2.626 . 0 0 "[ . 1]" 1
280 1 23 LYS QE 1 23 LYS QG 1.800 . 4.200 2.055 1.955 2.293 . 0 0 "[ . 1]" 1
281 1 41 LEU HA 1 42 SER H 1.800 . 2.800 2.209 2.190 2.254 . 0 0 "[ . 1]" 1
282 1 41 LEU HA 1 41 LEU MD2 1.800 . 3.300 2.345 2.106 2.476 . 0 0 "[ . 1]" 1
283 1 15 TYR QB 1 16 ASP HA 1.800 . 4.200 4.215 4.006 4.260 0.060 1 0 "[ . 1]" 1
284 1 41 LEU MD2 1 42 SER H 1.800 . 4.200 3.530 3.251 3.690 . 0 0 "[ . 1]" 1
285 1 41 LEU MD2 1 46 TYR QD 1.800 . 4.200 2.614 2.288 3.205 . 0 0 "[ . 1]" 1
286 1 41 LEU MD2 1 45 MET QG 1.800 . 4.200 3.207 3.138 3.270 . 0 0 "[ . 1]" 1
287 1 26 GLN HA 1 34 VAL H 1.800 . 4.200 3.993 3.842 4.069 . 0 0 "[ . 1]" 1
288 1 26 GLN HA 1 27 CYS H 1.800 . 2.800 2.174 2.160 2.185 . 0 0 "[ . 1]" 1
289 1 41 LEU H 1 41 LEU MD2 1.800 . 4.200 4.115 3.989 4.197 . 0 0 "[ . 1]" 1
290 1 41 LEU MD2 1 45 MET ME 1.800 . 4.200 1.788 1.775 1.796 0.025 7 0 "[ . 1]" 1
291 1 41 LEU MD2 1 58 TYR QE 1.800 . 4.200 1.828 1.811 1.858 . 0 0 "[ . 1]" 1
292 1 52 LEU HA 1 53 PRO QD 1.800 . 2.800 2.053 2.027 2.071 . 0 0 "[ . 1]" 1
293 1 52 LEU HA 1 52 LEU HG 1.800 . 4.200 2.350 2.327 2.370 . 0 0 "[ . 1]" 1
294 1 51 ASN HA 1 52 LEU H 1.800 . 4.200 3.439 3.435 3.442 . 0 0 "[ . 1]" 1
295 1 49 LEU H 1 49 LEU MD2 1.800 . 4.200 1.968 1.888 2.075 . 0 0 "[ . 1]" 1
296 1 52 LEU H 1 52 LEU MD2 1.800 . 4.200 4.208 4.196 4.243 0.043 8 0 "[ . 1]" 1
297 1 52 LEU HA 1 52 LEU MD2 1.800 . 2.800 2.705 2.644 2.767 . 0 0 "[ . 1]" 1
298 1 50 SER QB 1 51 ASN HA 1.800 . 4.200 4.059 4.007 4.106 . 0 0 "[ . 1]" 1
299 1 52 LEU MD2 1 53 PRO QD 1.800 . 3.300 1.863 1.811 1.949 . 0 0 "[ . 1]" 1
300 1 52 LEU QB 1 52 LEU MD2 1.800 . 3.300 2.031 1.975 2.088 . 0 0 "[ . 1]" 1
301 1 46 TYR HA 1 49 LEU MD2 1.800 . 2.800 1.817 1.801 1.850 . 0 0 "[ . 1]" 1
302 1 10 LEU MD2 1 39 GLU HA 1.800 . 4.200 3.942 3.220 4.200 0.000 1 0 "[ . 1]" 1
303 1 10 LEU MD2 1 38 CYS QB 1.800 . 5.500 4.858 4.018 5.607 0.107 1 0 "[ . 1]" 1
304 1 9 PRO QG 1 10 LEU MD2 1.800 . 3.300 2.320 1.837 3.292 . 0 0 "[ . 1]" 1
305 1 10 LEU H 1 10 LEU MD2 1.800 . 4.200 2.859 2.156 3.693 . 0 0 "[ . 1]" 1
306 1 59 THR H 1 59 THR MG 1.800 . 5.500 3.825 3.778 3.883 . 0 0 "[ . 1]" 1
307 1 29 LYS QG 1 59 THR MG 1.800 . 4.200 3.190 1.997 3.442 . 0 0 "[ . 1]" 1
308 1 59 THR MG 1 60 CYS H 1.800 . 3.300 2.617 2.403 2.787 . 0 0 "[ . 1]" 1
309 1 59 THR MG 1 64 THR H 1.800 . 4.200 3.299 2.886 3.484 . 0 0 "[ . 1]" 1
310 1 57 ALA HA 1 58 TYR H 1.800 . 2.800 2.201 2.188 2.210 . 0 0 "[ . 1]" 1
311 1 56 VAL MG1 1 57 ALA HA 1.800 . 4.200 4.065 4.013 4.113 . 0 0 "[ . 1]" 1
312 1 34 VAL H 1 34 VAL MG1 1.800 . 4.200 3.873 3.857 3.885 . 0 0 "[ . 1]" 1
313 1 34 VAL MG1 1 35 HIS H 1.800 . 4.200 2.039 1.826 2.341 . 0 0 "[ . 1]" 1
314 1 8 CYS H 1 9 PRO QD 1.800 . 4.200 4.204 4.151 4.263 0.063 8 0 "[ . 1]" 1
315 1 34 VAL MG1 1 58 TYR QE 1.800 . 4.200 3.550 3.334 3.656 . 0 0 "[ . 1]" 1
316 1 61 VAL H 1 61 VAL MG1 1.800 . 3.300 1.946 1.903 2.020 . 0 0 "[ . 1]" 1
317 1 9 PRO QD 1 10 LEU H 1.800 . 2.800 2.711 2.263 2.884 0.084 4 0 "[ . 1]" 1
318 1 61 VAL MG1 1 62 ASN H 1.800 . 4.200 2.012 1.924 2.092 . 0 0 "[ . 1]" 1
319 1 56 VAL MG1 1 57 ALA H 1.800 . 3.300 1.818 1.796 1.837 0.004 9 0 "[ . 1]" 1
320 1 9 PRO QD 1 34 VAL HA 1.800 . 4.200 2.542 2.018 2.969 . 0 0 "[ . 1]" 1
321 1 9 PRO HA 1 9 PRO QD 1.800 . 5.500 3.426 3.362 3.531 . 0 0 "[ . 1]" 1
322 1 56 VAL HA 1 56 VAL MG1 1.800 . 3.300 2.031 2.016 2.039 . 0 0 "[ . 1]" 1
323 1 60 CYS QB 1 61 VAL MG1 1.800 . 4.200 3.035 2.971 3.143 . 0 0 "[ . 1]" 1
324 1 64 THR MG 1 65 GLU H 1.800 . 4.200 3.471 1.801 4.242 0.042 4 0 "[ . 1]" 1
325 1 61 VAL HA 1 64 THR MG 1.800 . 4.200 2.860 2.413 3.782 . 0 0 "[ . 1]" 1
326 1 49 LEU HA 1 56 VAL MG2 1.800 . 4.200 3.324 3.268 3.451 . 0 0 "[ . 1]" 1
327 1 61 VAL H 1 61 VAL MG2 1.800 . 4.200 3.745 3.728 3.756 . 0 0 "[ . 1]" 1
328 1 56 VAL H 1 56 VAL MG2 1.800 . 4.200 1.834 1.786 1.898 0.014 9 0 "[ . 1]" 1
329 1 56 VAL MG2 1 57 ALA HA 1.800 . 5.500 5.223 5.192 5.256 . 0 0 "[ . 1]" 1
330 1 56 VAL HA 1 56 VAL MG2 1.800 . 3.300 2.685 2.658 2.708 . 0 0 "[ . 1]" 1
331 1 54 GLU HA 1 56 VAL MG2 1.800 . 4.200 4.229 4.216 4.247 0.047 2 0 "[ . 1]" 1
332 1 55 SER QB 1 56 VAL MG2 1.800 . 4.200 3.036 2.953 3.117 . 0 0 "[ . 1]" 1
333 1 53 PRO QD 1 56 VAL MG2 1.800 . 4.200 3.609 3.518 3.746 . 0 0 "[ . 1]" 1
334 1 61 VAL MG2 1 62 ASN H 1.800 . 3.300 3.356 3.346 3.367 0.067 1 0 "[ . 1]" 1
335 1 61 VAL MG2 1 62 ASN HA 1.800 . 4.200 3.266 3.237 3.302 . 0 0 "[ . 1]" 1
336 1 61 VAL HA 1 61 VAL MG2 1.800 . 3.300 2.438 2.395 2.493 . 0 0 "[ . 1]" 1
337 1 53 PRO HA 1 53 PRO QD 1.800 . 4.200 3.486 3.470 3.496 . 0 0 "[ . 1]" 1
338 1 52 LEU HG 1 53 PRO QD 1.800 . 4.200 3.255 3.156 3.301 . 0 0 "[ . 1]" 1
339 1 52 LEU H 1 53 PRO QD 1.800 . 4.200 4.283 4.278 4.291 0.091 10 0 "[ . 1]" 1
340 1 34 VAL MG2 1 58 TYR QE 1.800 . 3.300 2.032 1.830 2.233 . 0 0 "[ . 1]" 1
341 1 56 VAL HA 1 57 ALA MB 1.800 . 4.200 3.770 3.696 3.813 . 0 0 "[ . 1]" 1
342 1 34 VAL H 1 34 VAL MG2 1.800 . 4.200 2.436 2.271 2.606 . 0 0 "[ . 1]" 1
343 1 57 ALA MB 1 58 TYR H 1.800 . 4.200 3.085 3.009 3.149 . 0 0 "[ . 1]" 1
344 1 57 ALA H 1 57 ALA MB 1.800 . 3.300 2.645 2.607 2.697 . 0 0 "[ . 1]" 1
345 1 34 VAL MG2 1 58 TYR QD 1.800 . 4.200 3.602 3.448 3.710 . 0 0 "[ . 1]" 1
346 1 33 TRP HA 1 34 VAL MG2 1.800 . 4.200 3.529 3.347 3.646 . 0 0 "[ . 1]" 1
347 1 34 VAL HA 1 34 VAL MG2 1.800 . 4.200 2.491 2.387 2.560 . 0 0 "[ . 1]" 1
348 1 48 ILE MG 1 49 LEU H 1.800 . 3.300 3.297 3.271 3.328 0.028 5 0 "[ . 1]" 1
349 1 48 ILE H 1 48 ILE MG 1.800 . 4.200 3.747 3.741 3.757 . 0 0 "[ . 1]" 1
350 1 48 ILE MG 1 49 LEU HA 1.800 . 4.200 3.249 3.218 3.281 . 0 0 "[ . 1]" 1
351 1 45 MET HA 1 48 ILE MG 1.800 . 4.200 4.168 4.111 4.206 0.006 6 0 "[ . 1]" 1
352 1 13 LYS QB 1 13 LYS QG 1.800 . 4.200 2.016 1.977 2.057 . 0 0 "[ . 1]" 1
353 1 34 VAL HA 1 35 HIS H 1.800 . 4.200 2.241 2.216 2.274 . 0 0 "[ . 1]" 1
354 1 59 THR HB 1 64 THR HB 1.800 . 5.500 3.732 3.286 4.687 . 0 0 "[ . 1]" 1
355 1 64 THR HB 1 65 GLU H 1.800 . 4.200 3.458 1.978 4.060 . 0 0 "[ . 1]" 1
356 1 61 VAL HA 1 64 THR H 1.800 . 4.200 3.474 3.398 3.569 . 0 0 "[ . 1]" 1
357 1 42 SER QB 1 45 MET H 1.800 . 5.500 2.242 2.138 2.482 . 0 0 "[ . 1]" 1
358 1 42 SER HA 1 42 SER QB 1.800 . 2.800 2.384 2.223 2.547 . 0 0 "[ . 1]" 1
359 1 41 LEU QB 1 46 TYR HA 1.800 . 4.200 3.997 3.903 4.107 . 0 0 "[ . 1]" 1
360 1 50 SER HA 1 51 ASN H 1.800 . 4.200 3.415 3.391 3.434 . 0 0 "[ . 1]" 1
361 1 27 CYS HA 1 60 CYS H 1.800 . 4.200 3.738 3.657 3.842 . 0 0 "[ . 1]" 1
362 1 66 ARG HA 1 66 ARG QD 1.800 . 4.200 3.813 2.816 4.212 0.012 7 0 "[ . 1]" 1
363 1 52 LEU HA 1 53 PRO QG 1.800 . 4.200 4.023 4.002 4.043 . 0 0 "[ . 1]" 1
364 1 25 MET HA 1 26 GLN H 1.800 . 2.800 2.219 2.143 2.262 . 0 0 "[ . 1]" 1
365 1 9 PRO QD 1 10 LEU HG 1.800 . 5.500 2.819 2.177 3.204 . 0 0 "[ . 1]" 1
366 1 45 MET H 1 48 ILE MD 1.800 . 4.200 3.518 3.494 3.541 . 0 0 "[ . 1]" 1
367 1 48 ILE MD 1 49 LEU H 1.800 . 5.500 4.425 4.381 4.469 . 0 0 "[ . 1]" 1
368 1 48 ILE QG 1 48 ILE MG 1.800 . 3.300 2.120 2.090 2.139 . 0 0 "[ . 1]" 1
369 1 64 THR H 1 64 THR MG 1.800 . 3.300 3.158 2.480 3.421 0.121 7 0 "[ . 1]" 1
370 1 41 LEU QB 1 41 LEU MD2 1.800 . 3.300 2.102 2.050 2.186 . 0 0 "[ . 1]" 1
371 1 32 ARG QD 1 33 TRP H 1.800 . 4.200 3.943 3.357 4.232 0.032 5 0 "[ . 1]" 1
372 1 48 ILE HB 1 49 LEU HA 1.800 . 5.500 4.551 4.527 4.624 . 0 0 "[ . 1]" 1
373 1 45 MET QG 1 46 TYR QB 1.800 . 4.200 2.980 2.943 3.024 . 0 0 "[ . 1]" 1
374 1 65 GLU HA 1 65 GLU QG 1.800 . 4.200 2.306 2.095 3.340 . 0 0 "[ . 1]" 1
375 1 13 LYS QB 1 14 CYS H 1.800 . 4.200 3.070 1.795 4.027 0.005 1 0 "[ . 1]" 1
376 1 13 LYS QB 1 35 HIS HE1 1.800 . 3.300 2.393 2.018 2.935 . 0 0 "[ . 1]" 1
377 1 29 LYS QB 1 30 CYS H 1.800 . 3.300 2.369 2.330 2.416 . 0 0 "[ . 1]" 1
378 1 55 SER H 1 56 VAL HB 1.800 . 5.500 5.303 5.086 5.407 . 0 0 "[ . 1]" 1
379 1 7 PHE HA 1 7 PHE QD 1.800 . 4.200 2.938 2.320 3.723 . 0 0 "[ . 1]" 1
380 1 15 TYR HA 1 15 TYR QD 1.800 . 3.300 2.991 2.842 3.124 . 0 0 "[ . 1]" 1
381 1 24 MET ME 1 33 TRP QB 1.800 . 3.300 2.130 1.861 2.686 . 0 0 "[ . 1]" 1
382 1 8 CYS QB 1 24 MET ME 1.800 . 4.200 2.288 1.767 3.089 0.033 1 0 "[ . 1]" 1
383 1 24 MET QB 1 24 MET ME 1.800 . 2.800 2.264 1.881 2.683 . 0 0 "[ . 1]" 1
384 1 8 CYS HA 1 24 MET ME 1.800 . 4.200 3.009 2.363 3.530 . 0 0 "[ . 1]" 1
385 1 8 CYS H 1 24 MET ME 1.800 . 3.300 1.938 1.814 2.281 . 0 0 "[ . 1]" 1
386 1 24 MET ME 1 35 HIS H 1.800 . 3.300 3.045 2.265 3.297 . 0 0 "[ . 1]" 1
387 1 24 MET ME 1 25 MET H 1.800 . 4.200 3.819 3.304 4.173 . 0 0 "[ . 1]" 1
388 1 24 MET ME 1 34 VAL H 1.800 . 4.200 3.504 3.283 3.642 . 0 0 "[ . 1]" 1
389 1 25 MET ME 1 49 LEU QB 1.800 . 2.800 2.556 2.366 2.640 . 0 0 "[ . 1]" 1
390 1 25 MET ME 1 25 MET QG 1.800 . 2.800 2.183 2.106 2.280 . 0 0 "[ . 1]" 1
391 1 25 MET ME 1 58 TYR H 1.800 . 5.500 5.492 5.470 5.517 0.017 3 0 "[ . 1]" 1
392 1 25 MET H 1 25 MET ME 1.800 . 5.500 5.197 4.838 5.515 0.015 8 0 "[ . 1]" 1
393 1 25 MET HA 1 25 MET ME 1.800 . 4.200 3.682 3.485 3.824 . 0 0 "[ . 1]" 1
394 1 25 MET ME 1 58 TYR HA 1.800 . 5.500 5.040 4.850 5.291 . 0 0 "[ . 1]" 1
395 1 25 MET ME 1 50 SER HA 1.800 . 5.500 4.822 4.564 5.064 . 0 0 "[ . 1]" 1
396 1 25 MET ME 1 36 SER QB 1.800 . 4.200 4.238 4.205 4.270 0.070 1 0 "[ . 1]" 1
397 1 24 MET HA 1 24 MET ME 1.800 . 5.500 3.711 3.023 4.183 . 0 0 "[ . 1]" 1
398 1 45 MET ME 1 49 LEU MD2 1.800 . 2.800 1.944 1.848 2.033 . 0 0 "[ . 1]" 1
399 1 41 LEU QB 1 45 MET ME 1.800 . 3.300 3.321 3.302 3.345 0.045 4 0 "[ . 1]" 1
400 1 25 MET ME 1 45 MET ME 1.800 . 4.200 3.654 3.423 3.916 . 0 0 "[ . 1]" 1
401 1 45 MET QB 1 45 MET ME 1.800 . 2.800 1.935 1.861 2.049 . 0 0 "[ . 1]" 1
402 1 45 MET ME 1 45 MET QG 1.800 . 3.300 2.499 2.459 2.528 . 0 0 "[ . 1]" 1
403 1 45 MET ME 1 46 TYR HA 1.800 . 4.200 2.190 2.123 2.286 . 0 0 "[ . 1]" 1
404 1 45 MET HA 1 45 MET ME 1.800 . 3.300 3.215 3.159 3.299 . 0 0 "[ . 1]" 1
405 1 45 MET ME 1 48 ILE H 1.800 . 5.500 4.549 4.493 4.597 . 0 0 "[ . 1]" 1
406 1 45 MET H 1 45 MET ME 1.800 . 4.200 4.218 4.193 4.244 0.044 4 0 "[ . 1]" 1
407 1 45 MET ME 1 49 LEU H 1.800 . 4.200 4.136 4.060 4.196 . 0 0 "[ . 1]" 1
408 1 42 SER H 1 45 MET ME 1.800 . 5.500 3.923 3.820 4.029 . 0 0 "[ . 1]" 1
409 1 25 MET HA 1 36 SER QB 1.800 . 5.500 4.696 4.477 4.832 . 0 0 "[ . 1]" 1
410 1 36 SER HA 1 36 SER QB 1.800 . 2.800 2.199 2.154 2.278 . 0 0 "[ . 1]" 1
411 1 36 SER HA 1 41 LEU QB 1.800 . 4.200 2.468 2.287 2.628 . 0 0 "[ . 1]" 1
412 1 36 SER QB 1 41 LEU QB 1.800 . 4.200 3.075 2.388 3.746 . 0 0 "[ . 1]" 1
413 1 44 GLU QG 1 48 ILE MD 1.800 . 4.200 1.956 1.910 2.013 . 0 0 "[ . 1]" 1
414 1 6 ASN QB 1 33 TRP QB 1.800 . 2.800 2.572 2.002 2.889 0.089 5 0 "[ . 1]" 1
415 1 9 PRO QG 1 34 VAL MG1 1.800 . 3.300 2.510 1.904 2.848 . 0 0 "[ . 1]" 1
416 1 32 ARG QG 1 33 TRP H 1.800 . 4.200 2.664 1.968 3.651 . 0 0 "[ . 1]" 1
417 1 32 ARG HA 1 32 ARG QG 1.800 . 4.200 2.343 2.183 2.566 . 0 0 "[ . 1]" 1
418 1 20 TYR QB 1 20 TYR QE 1.800 . 4.200 3.936 3.929 3.944 . 0 0 "[ . 1]" 1
419 1 20 TYR QB 1 21 GLU QG 1.800 . 5.500 4.458 3.621 5.276 . 0 0 "[ . 1]" 1
420 1 24 MET QG 1 33 TRP HE1 1.800 . 5.500 4.058 3.860 4.275 . 0 0 "[ . 1]" 1
421 1 25 MET H 1 25 MET QG 1.800 . 4.200 3.958 3.600 4.166 . 0 0 "[ . 1]" 1
422 1 26 GLN HA 1 27 CYS QB 1.800 . 5.500 4.073 4.054 4.101 . 0 0 "[ . 1]" 1
423 1 9 PRO QD 1 34 VAL MG2 1.800 . 5.500 2.605 2.068 3.061 . 0 0 "[ . 1]" 1
424 1 35 HIS QB 1 38 CYS H 1.800 . 4.200 2.094 1.980 2.225 . 0 0 "[ . 1]" 1
425 1 35 HIS QB 1 37 LYS QB 1.800 . 5.500 4.076 3.912 4.273 . 0 0 "[ . 1]" 1
426 1 25 MET H 1 35 HIS QB 1.800 . 5.500 5.512 5.475 5.541 0.041 6 0 "[ . 1]" 1
427 1 41 LEU QB 1 45 MET QB 1.800 . 5.500 5.403 5.287 5.530 0.030 3 0 "[ . 1]" 1
428 1 66 ARG QG 1 67 HIS HA 1.800 . 4.200 4.060 3.912 4.257 0.057 4 0 "[ . 1]" 1
429 1 46 TYR QB 1 47 GLU HA 1.800 . 5.500 4.032 4.003 4.058 . 0 0 "[ . 1]" 1
430 1 47 GLU HA 1 50 SER QB 1.800 . 4.200 2.372 2.193 2.548 . 0 0 "[ . 1]" 1
431 1 46 TYR HA 1 48 ILE MD 1.800 . 5.500 5.407 5.380 5.449 . 0 0 "[ . 1]" 1
432 1 49 LEU HA 1 56 VAL MG1 1.800 . 5.500 4.697 4.639 4.757 . 0 0 "[ . 1]" 1
433 1 61 VAL MG2 1 65 GLU HA 1.800 . 4.200 4.125 3.547 4.223 0.023 7 0 "[ . 1]" 1
434 1 23 LYS HA 1 23 LYS QG 1.800 . 4.200 2.461 2.261 2.747 . 0 0 "[ . 1]" 1
435 1 25 MET ME 1 46 TYR QE 1.800 . 3.300 2.314 2.111 2.518 . 0 0 "[ . 1]" 1
436 1 13 LYS QD 1 13 LYS QE 1.800 . 2.800 2.050 2.014 2.093 . 0 0 "[ . 1]" 1
437 1 13 LYS QE 1 13 LYS QG 1.800 . 2.800 2.182 1.960 2.340 . 0 0 "[ . 1]" 1
438 1 4 LYS QE 1 4 LYS QG 1.800 . 3.300 2.076 1.933 2.213 . 0 0 "[ . 1]" 1
439 1 23 LYS QE 1 46 TYR QD 1.800 . 4.200 3.933 3.578 4.171 . 0 0 "[ . 1]" 1
440 1 49 LEU QB 1 49 LEU MD1 1.800 . 3.300 2.556 2.515 2.585 . 0 0 "[ . 1]" 1
441 1 16 ASP QB 1 17 ASP H 1.800 . 4.200 3.443 2.160 3.966 . 0 0 "[ . 1]" 1
442 1 16 ASP HA 1 16 ASP QB 1.800 . 2.800 2.392 2.171 2.536 . 0 0 "[ . 1]" 1
443 1 17 ASP QB 1 18 ASP H 1.800 . 3.300 3.319 3.288 3.358 0.058 5 0 "[ . 1]" 1
444 1 59 THR MG 1 64 THR HB 1.800 . 4.200 3.997 3.798 4.290 0.090 4 0 "[ . 1]" 1
445 1 62 ASN H 1 62 ASN QB 1.800 . 3.300 2.197 2.129 2.231 . 0 0 "[ . 1]" 1
446 1 62 ASN HA 1 62 ASN QB 1.800 . 2.800 2.455 2.434 2.504 . 0 0 "[ . 1]" 1
447 1 61 VAL MG2 1 62 ASN QB 1.800 . 4.200 4.185 4.151 4.207 0.007 4 0 "[ . 1]" 1
448 1 20 TYR QB 1 20 TYR QD 1.800 . 2.800 2.137 2.132 2.144 . 0 0 "[ . 1]" 1
449 1 41 LEU MD1 1 46 TYR QB 1.800 . 4.200 4.044 3.768 4.208 0.008 6 0 "[ . 1]" 1
450 1 10 LEU MD1 1 39 GLU QG 1.800 . 4.200 4.017 3.354 4.225 0.025 6 0 "[ . 1]" 1
451 1 44 GLU QG 1 46 TYR H 1.800 . 4.200 4.244 4.233 4.266 0.066 6 0 "[ . 1]" 1
452 1 25 MET QB 1 46 TYR QE 1.800 . 4.200 2.303 1.814 3.373 . 0 0 "[ . 1]" 1
453 1 25 MET QB 1 34 VAL MG2 1.800 . 4.200 3.469 3.087 3.739 . 0 0 "[ . 1]" 1
454 1 55 SER QB 1 56 VAL H 1.800 . 3.300 2.864 2.754 2.932 . 0 0 "[ . 1]" 1
455 1 29 LYS H 1 29 LYS QB 1.800 . 3.300 2.135 2.094 2.199 . 0 0 "[ . 1]" 1
456 1 52 LEU MD2 1 55 SER QB 1.800 . 4.200 2.782 2.516 2.980 . 0 0 "[ . 1]" 1
457 1 42 SER HA 1 45 MET QG 1.800 . 4.200 3.456 3.408 3.522 . 0 0 "[ . 1]" 1
458 1 36 SER HA 1 46 TYR QD 1.800 . 4.200 3.634 3.300 3.935 . 0 0 "[ . 1]" 1
459 1 34 VAL MG1 1 60 CYS QB 1.800 . 4.200 3.137 2.945 3.417 . 0 0 "[ . 1]" 1
460 1 45 MET QB 1 46 TYR H 1.800 . 4.200 3.495 3.482 3.509 . 0 0 "[ . 1]" 1
461 1 10 LEU MD1 1 35 HIS QB 1.800 . 5.500 3.589 2.568 3.957 . 0 0 "[ . 1]" 1
462 1 25 MET QG 1 46 TYR QE 1.800 . 4.200 3.013 1.810 3.663 . 0 0 "[ . 1]" 1
463 1 30 CYS QB 1 32 ARG QB 1.800 . 4.200 3.370 3.172 3.771 . 0 0 "[ . 1]" 1
464 1 58 TYR HA 1 59 THR HA 1.800 . 4.200 4.314 4.308 4.323 0.123 8 0 "[ . 1]" 1
465 1 39 GLU QB 1 41 LEU MD1 1.800 . 4.200 2.410 2.005 3.120 . 0 0 "[ . 1]" 1
466 1 21 GLU H 1 21 GLU QB 1.800 . 2.800 2.369 2.106 2.802 0.002 9 0 "[ . 1]" 1
467 1 53 PRO QG 1 55 SER HA 1.800 . 5.500 4.044 3.966 4.088 . 0 0 "[ . 1]" 1
468 1 13 LYS HA 1 13 LYS QD 1.800 . 4.200 3.266 2.119 4.218 0.018 3 0 "[ . 1]" 1
469 1 13 LYS QB 1 13 LYS QD 1.800 . 3.300 2.127 1.928 2.358 . 0 0 "[ . 1]" 1
470 1 34 VAL MG2 1 60 CYS HA 1.800 . 4.200 2.405 2.138 2.712 . 0 0 "[ . 1]" 1
471 1 37 LYS HA 1 41 LEU H 1.800 . 4.200 3.426 3.328 3.534 . 0 0 "[ . 1]" 1
472 1 15 TYR HA 1 16 ASP H 1.800 . 3.300 3.456 3.396 3.480 0.180 5 0 "[ . 1]" 1
473 1 42 SER HA 1 43 ASP H 1.800 . 2.800 2.289 2.272 2.307 . 0 0 "[ . 1]" 1
474 1 43 ASP HA 1 47 GLU H 1.800 . 4.200 3.902 3.854 3.945 . 0 0 "[ . 1]" 1
475 1 33 TRP HA 1 33 TRP HD1 1.800 . 4.200 3.971 3.794 4.083 . 0 0 "[ . 1]" 1
476 1 49 LEU HA 1 49 LEU MD1 1.800 . 2.800 2.173 2.036 2.388 . 0 0 "[ . 1]" 1
477 1 27 CYS H 1 33 TRP HA 1.800 . 3.300 3.293 3.228 3.319 0.019 8 0 "[ . 1]" 1
478 1 65 GLU HA 1 65 GLU QB 1.800 . 2.800 2.472 2.176 2.537 . 0 0 "[ . 1]" 1
479 1 3 ALA MB 1 4 LYS HA 1.800 . 4.200 4.048 3.750 4.175 . 0 0 "[ . 1]" 1
480 1 31 ASP HA 1 32 ARG H 1.800 . 3.300 3.080 2.985 3.122 . 0 0 "[ . 1]" 1
481 1 4 LYS HA 1 4 LYS QG 1.800 . 4.200 3.030 2.081 3.478 . 0 0 "[ . 1]" 1
482 1 12 ASP HA 1 13 LYS H 1.800 . 4.200 2.882 2.711 3.065 . 0 0 "[ . 1]" 1
483 1 13 LYS HA 1 14 CYS H 1.800 . 3.300 2.757 2.173 3.425 0.125 4 0 "[ . 1]" 1
484 1 41 LEU MD1 1 46 TYR QE 1.800 . 4.200 2.070 1.818 2.220 . 0 0 "[ . 1]" 1
485 1 9 PRO QD 1 10 LEU MD1 1.800 . 4.200 3.894 3.186 4.201 0.001 1 0 "[ . 1]" 1
486 1 41 LEU MD1 1 46 TYR QD 1.800 . 3.300 2.259 2.066 2.325 . 0 0 "[ . 1]" 1
487 1 36 SER HA 1 41 LEU MD1 1.800 . 4.200 1.796 1.775 1.829 0.025 9 0 "[ . 1]" 1
488 1 41 LEU MD1 1 45 MET ME 1.800 . 4.200 3.706 3.327 3.910 . 0 0 "[ . 1]" 1
489 1 18 ASP HA 1 18 ASP QB 1.800 . 2.800 2.273 2.180 2.437 . 0 0 "[ . 1]" 1
490 1 40 ASN HA 1 41 LEU H 1.800 . 3.300 2.913 2.865 2.955 . 0 0 "[ . 1]" 1
491 1 16 ASP HA 1 17 ASP H 1.800 . 3.300 2.376 2.135 3.330 0.030 5 0 "[ . 1]" 1
492 1 16 ASP HA 1 18 ASP H 1.800 . 4.200 3.478 3.063 4.108 . 0 0 "[ . 1]" 1
493 1 46 TYR QE 1 49 LEU MD2 1.800 . 4.200 4.220 4.197 4.235 0.035 1 0 "[ . 1]" 1
494 1 47 GLU HA 1 49 LEU MD2 1.800 . 4.200 4.236 4.201 4.267 0.067 9 0 "[ . 1]" 1
495 1 10 LEU QB 1 10 LEU MD2 1.800 . 2.800 2.355 1.998 2.482 . 0 0 "[ . 1]" 1
496 1 29 LYS HA 1 59 THR MG 1.800 . 4.200 4.272 4.258 4.279 0.079 6 0 "[ . 1]" 1
497 1 30 CYS H 1 59 THR MG 1.800 . 4.200 4.186 4.107 4.233 0.033 2 0 "[ . 1]" 1
498 1 9 PRO QD 1 34 VAL MG1 1.800 . 4.200 1.860 1.789 2.051 0.011 7 0 "[ . 1]" 1
499 1 8 CYS QB 1 9 PRO QD 1.800 . 4.200 3.081 1.976 3.506 . 0 0 "[ . 1]" 1
500 1 34 VAL MG2 1 39 GLU QB 1.800 . 4.200 4.213 4.139 4.281 0.081 4 0 "[ . 1]" 1
501 1 7 PHE HA 1 8 CYS H 1.800 . 3.300 2.259 2.112 2.463 . 0 0 "[ . 1]" 1
502 1 25 MET ME 1 49 LEU MD2 1.800 . 3.300 2.003 1.872 2.180 . 0 0 "[ . 1]" 1
503 1 12 ASP QB 1 35 HIS QB 1.800 . 4.200 4.318 4.261 4.428 0.228 4 0 "[ . 1]" 1
504 1 20 TYR QD 1 21 GLU QG 1.800 . 4.200 2.984 1.855 3.957 . 0 0 "[ . 1]" 1
505 1 24 MET ME 1 33 TRP HA 1.800 . 4.200 3.752 3.561 4.065 . 0 0 "[ . 1]" 1
506 1 25 MET ME 1 41 LEU MD1 1.800 . 2.800 2.805 2.703 2.847 0.047 10 0 "[ . 1]" 1
507 1 25 MET ME 1 26 GLN H 1.800 . 4.200 4.217 4.174 4.253 0.053 5 0 "[ . 1]" 1
508 1 45 MET ME 1 58 TYR QD 1.800 . 4.200 3.886 3.713 3.982 . 0 0 "[ . 1]" 1
509 1 36 SER QB 1 46 TYR QD 1.800 . 4.200 3.049 2.444 3.791 . 0 0 "[ . 1]" 1
510 1 25 MET QB 1 36 SER HA 1.800 . 4.200 3.647 3.513 3.808 . 0 0 "[ . 1]" 1
511 1 25 MET QB 1 36 SER QB 1.800 . 4.200 3.746 3.585 4.057 . 0 0 "[ . 1]" 1
512 1 10 LEU HA 1 10 LEU HG 1.800 . 4.200 3.501 2.981 3.786 . 0 0 "[ . 1]" 1
513 1 13 LYS HA 1 14 CYS QB 1.800 . 4.200 3.958 3.807 4.113 . 0 0 "[ . 1]" 1
514 1 46 TYR HA 1 46 TYR QE 1.800 . 5.500 4.595 4.545 4.641 . 0 0 "[ . 1]" 1
515 1 25 MET QB 1 58 TYR QD 1.800 . 4.200 3.356 2.919 3.577 . 0 0 "[ . 1]" 1
516 1 25 MET ME 1 58 TYR QD 1.800 . 3.300 2.697 2.438 3.115 . 0 0 "[ . 1]" 1
517 1 34 VAL MG1 1 39 GLU HA 1.800 . 4.200 3.825 3.698 3.951 . 0 0 "[ . 1]" 1
518 1 45 MET ME 1 49 LEU MD1 1.800 . 4.200 2.745 2.627 2.848 . 0 0 "[ . 1]" 1
519 1 50 SER HA 1 52 LEU H 1.800 . 4.200 4.185 4.157 4.221 0.021 7 0 "[ . 1]" 1
520 1 6 ASN QB 1 7 PHE H 1.800 . 4.200 3.479 2.155 4.029 . 0 0 "[ . 1]" 1
521 1 6 ASN HA 1 7 PHE H 1.800 . 3.300 2.265 2.148 2.551 . 0 0 "[ . 1]" 1
522 1 26 GLN QE 1 33 TRP HE1 1.800 . 4.200 3.460 2.643 4.107 . 0 0 "[ . 1]" 1
523 1 27 CYS H 1 34 VAL H 1.800 . 4.200 4.148 4.028 4.225 0.025 3 0 "[ . 1]" 1
524 1 27 CYS H 1 32 ARG H 1.800 . 4.200 3.505 3.409 3.619 . 0 0 "[ . 1]" 1
525 1 27 CYS H 1 58 TYR QD 1.800 . 4.200 3.748 3.656 3.875 . 0 0 "[ . 1]" 1
526 1 27 CYS H 1 60 CYS QB 1.800 . 4.200 4.277 4.259 4.302 0.102 4 0 "[ . 1]" 1
527 1 27 CYS H 1 34 VAL MG2 1.800 . 5.500 3.700 3.562 3.916 . 0 0 "[ . 1]" 1
528 1 28 GLY H 1 60 CYS H 1.800 . 4.200 3.999 3.874 4.093 . 0 0 "[ . 1]" 1
529 1 60 CYS H 1 63 CYS H 1.800 . 4.200 4.093 4.026 4.210 0.010 4 0 "[ . 1]" 1
530 1 58 TYR QD 1 60 CYS H 1.800 . 5.500 3.972 3.865 4.067 . 0 0 "[ . 1]" 1
531 1 58 TYR QE 1 60 CYS H 1.800 . 4.200 4.170 4.085 4.232 0.032 7 0 "[ . 1]" 1
532 1 34 VAL MG2 1 60 CYS H 1.800 . 5.500 3.901 3.817 3.997 . 0 0 "[ . 1]" 1
533 1 8 CYS H 1 35 HIS HE1 1.800 . 5.500 5.540 5.443 5.636 0.136 4 0 "[ . 1]" 1
534 1 56 VAL HB 1 57 ALA H 1.800 . 4.200 2.648 2.576 2.788 . 0 0 "[ . 1]" 1
535 1 15 TYR H 1 15 TYR QD 1.800 . 4.200 2.812 2.523 3.170 . 0 0 "[ . 1]" 1
536 1 15 TYR H 1 16 ASP QB 1.800 . 4.200 4.136 4.044 4.248 0.048 6 0 "[ . 1]" 1
537 1 28 GLY H 1 29 LYS H 1.800 . 3.300 2.143 2.119 2.180 . 0 0 "[ . 1]" 1
538 1 29 LYS H 1 30 CYS H 1.800 . 2.800 2.525 2.499 2.552 . 0 0 "[ . 1]" 1
539 1 64 THR H 1 65 GLU H 1.800 . 3.300 2.644 2.467 3.288 . 0 0 "[ . 1]" 1
540 1 29 LYS H 1 31 ASP H 1.800 . 4.200 3.102 3.069 3.159 . 0 0 "[ . 1]" 1
541 1 58 TYR H 1 58 TYR QD 1.800 . 4.200 4.176 4.151 4.189 . 0 0 "[ . 1]" 1
542 1 29 LYS H 1 59 THR HA 1.800 . 4.200 3.350 3.192 3.418 . 0 0 "[ . 1]" 1
543 1 27 CYS QB 1 29 LYS H 1.800 . 5.500 3.663 3.613 3.718 . 0 0 "[ . 1]" 1
544 1 65 GLU H 1 65 GLU QG 1.800 . 4.200 3.457 2.606 3.956 . 0 0 "[ . 1]" 1
545 1 29 LYS H 1 29 LYS QD 1.800 . 4.200 4.002 3.861 4.198 . 0 0 "[ . 1]" 1
546 1 29 LYS H 1 59 THR MG 1.800 . 4.200 3.094 2.967 3.197 . 0 0 "[ . 1]" 1
547 1 28 GLY H 1 58 TYR H 1.800 . 4.200 3.846 3.753 3.988 . 0 0 "[ . 1]" 1
548 1 27 CYS HA 1 58 TYR H 1.800 . 4.200 4.270 4.249 4.287 0.087 2 0 "[ . 1]" 1
549 1 34 VAL HB 1 35 HIS H 1.800 . 4.200 3.770 3.661 3.901 . 0 0 "[ . 1]" 1
550 1 26 GLN H 1 33 TRP HZ3 1.800 . 5.500 3.933 3.261 4.513 . 0 0 "[ . 1]" 1
551 1 25 MET QG 1 26 GLN H 1.800 . 4.200 2.707 2.084 3.999 . 0 0 "[ . 1]" 1
552 1 26 GLN H 1 33 TRP HE1 1.800 . 5.500 4.119 3.716 4.411 . 0 0 "[ . 1]" 1
553 1 26 GLN H 1 33 TRP HA 1.800 . 5.500 4.498 4.378 4.601 . 0 0 "[ . 1]" 1
554 1 51 ASN QB 1 52 LEU H 1.800 . 4.200 2.975 2.920 3.014 . 0 0 "[ . 1]" 1
555 1 52 LEU H 1 52 LEU HG 1.800 . 3.300 3.066 3.031 3.166 . 0 0 "[ . 1]" 1
556 1 65 GLU HA 1 66 ARG H 1.800 . 3.300 2.425 2.146 3.218 . 0 0 "[ . 1]" 1
557 1 33 TRP H 1 33 TRP HD1 1.800 . 4.200 2.755 2.396 2.971 . 0 0 "[ . 1]" 1
558 1 63 CYS H 1 64 THR H 1.800 . 3.300 2.464 2.439 2.500 . 0 0 "[ . 1]" 1
559 1 35 HIS HA 1 36 SER H 1.800 . 3.300 2.133 2.106 2.163 . 0 0 "[ . 1]" 1
560 1 66 ARG H 1 67 HIS HA 1.800 . 5.500 5.229 4.567 5.477 . 0 0 "[ . 1]" 1
561 1 61 VAL HA 1 63 CYS H 1.800 . 5.500 4.538 4.438 4.640 . 0 0 "[ . 1]" 1
562 1 10 LEU H 1 11 CYS H 1.800 . 4.200 2.340 2.193 2.387 . 0 0 "[ . 1]" 1
563 1 23 LYS H 1 23 LYS QD 1.800 . 4.200 3.743 3.342 4.176 . 0 0 "[ . 1]" 1
564 1 31 ASP H 1 32 ARG H 1.800 . 2.800 2.738 2.690 2.798 . 0 0 "[ . 1]" 1
565 1 30 CYS QB 1 32 ARG H 1.800 . 5.500 3.531 3.400 3.618 . 0 0 "[ . 1]" 1
566 1 20 TYR H 1 21 GLU H 1.800 . 3.300 2.433 2.403 2.545 . 0 0 "[ . 1]" 1
567 1 14 CYS H 1 15 TYR H 1.800 . 4.200 3.728 2.800 4.154 . 0 0 "[ . 1]" 1
568 1 20 TYR H 1 22 SER H 1.800 . 3.300 3.344 3.324 3.364 0.064 4 0 "[ . 1]" 1
569 1 20 TYR H 1 20 TYR QD 1.800 . 4.200 2.308 2.060 2.618 . 0 0 "[ . 1]" 1
570 1 14 CYS H 1 16 ASP QB 1.800 . 4.200 4.092 3.407 4.337 0.137 2 0 "[ . 1]" 1
571 1 13 LYS QG 1 14 CYS H 1.800 . 4.200 3.284 2.478 4.274 0.074 6 0 "[ . 1]" 1
572 1 23 LYS H 1 24 MET H 1.800 . 4.200 3.668 2.844 4.171 . 0 0 "[ . 1]" 1
573 1 22 SER HA 1 24 MET H 1.800 . 5.500 5.253 5.034 5.558 0.058 4 0 "[ . 1]" 1
574 1 13 LYS QD 1 14 CYS H 1.800 . 5.500 3.924 1.946 5.465 . 0 0 "[ . 1]" 1
575 1 23 LYS QD 1 24 MET H 1.800 . 5.500 4.633 3.818 5.142 . 0 0 "[ . 1]" 1
576 1 54 GLU HA 1 56 VAL H 1.800 . 4.200 3.501 3.469 3.537 . 0 0 "[ . 1]" 1
577 1 61 VAL H 1 62 ASN H 1.800 . 4.200 2.943 2.921 2.968 . 0 0 "[ . 1]" 1
578 1 62 ASN H 1 64 THR H 1.800 . 4.200 3.941 3.882 4.028 . 0 0 "[ . 1]" 1
579 1 11 CYS H 1 12 ASP H 1.800 . 3.300 2.088 1.903 2.454 . 0 0 "[ . 1]" 1
580 1 12 ASP H 1 12 ASP HA 1.800 . 2.800 2.260 2.251 2.265 . 0 0 "[ . 1]" 1
581 1 8 CYS QB 1 12 ASP H 1.800 . 5.500 2.664 2.092 3.515 . 0 0 "[ . 1]" 1
582 1 46 TYR H 1 47 GLU H 1.800 . 3.300 2.433 2.417 2.453 . 0 0 "[ . 1]" 1
583 1 45 MET H 1 46 TYR H 1.800 . 3.300 2.503 2.490 2.516 . 0 0 "[ . 1]" 1
584 1 47 GLU H 1 48 ILE H 1.800 . 3.300 2.517 2.510 2.538 . 0 0 "[ . 1]" 1
585 1 46 TYR QD 1 47 GLU H 1.800 . 4.200 3.999 3.832 4.180 . 0 0 "[ . 1]" 1
586 1 47 GLU H 1 50 SER QB 1.800 . 5.500 4.772 4.643 5.090 . 0 0 "[ . 1]" 1
587 1 45 MET QG 1 46 TYR H 1.800 . 5.500 1.896 1.871 1.937 . 0 0 "[ . 1]" 1
588 1 46 TYR H 1 49 LEU MD2 1.800 . 4.200 3.726 3.716 3.758 . 0 0 "[ . 1]" 1
589 1 41 LEU QB 1 46 TYR H 1.800 . 5.500 4.395 4.324 4.448 . 0 0 "[ . 1]" 1
590 1 4 LYS H 1 4 LYS QE 1.800 . 4.200 3.734 3.083 4.049 . 0 0 "[ . 1]" 1
591 1 24 MET QB 1 25 MET H 1.800 . 3.300 2.500 2.371 2.674 . 0 0 "[ . 1]" 1
592 1 25 MET H 1 34 VAL MG2 1.800 . 5.500 4.185 4.048 4.307 . 0 0 "[ . 1]" 1
593 1 41 LEU QB 1 42 SER H 1.800 . 4.200 3.574 3.455 3.702 . 0 0 "[ . 1]" 1
594 1 45 MET HA 1 48 ILE H 1.800 . 4.200 3.266 3.210 3.307 . 0 0 "[ . 1]" 1
595 1 46 TYR HA 1 48 ILE H 1.800 . 5.500 4.301 4.279 4.331 . 0 0 "[ . 1]" 1
596 1 19 ASP H 1 19 ASP QB 1.800 . 3.300 2.388 2.087 2.646 . 0 0 "[ . 1]" 1
597 1 42 SER H 1 45 MET QB 1.800 . 4.200 3.870 3.756 4.063 . 0 0 "[ . 1]" 1
598 1 48 ILE H 1 49 LEU H 1.800 . 3.300 2.822 2.803 2.829 . 0 0 "[ . 1]" 1
599 1 43 ASP H 1 45 MET H 1.800 . 4.200 4.232 4.217 4.242 0.042 3 0 "[ . 1]" 1
600 1 44 GLU H 1 45 MET H 1.800 . 3.300 2.594 2.582 2.607 . 0 0 "[ . 1]" 1
601 1 45 MET H 1 46 TYR QB 1.800 . 5.500 4.290 4.263 4.305 . 0 0 "[ . 1]" 1
602 1 43 ASP QB 1 45 MET H 1.800 . 5.500 4.757 4.737 4.771 . 0 0 "[ . 1]" 1
603 1 13 LYS H 1 14 CYS H 1.800 . 4.200 3.808 2.820 4.266 0.066 1 0 "[ . 1]" 1
604 1 48 ILE MG 1 51 ASN H 1.800 . 5.500 4.488 4.432 4.521 . 0 0 "[ . 1]" 1
605 1 12 ASP H 1 13 LYS H 1.800 . 2.800 2.748 2.597 2.815 0.015 1 0 "[ . 1]" 1
606 1 8 CYS QB 1 13 LYS H 1.800 . 5.500 4.495 4.090 5.117 . 0 0 "[ . 1]" 1
607 1 13 LYS H 1 13 LYS QG 1.800 . 5.500 3.958 3.147 4.485 . 0 0 "[ . 1]" 1
608 1 30 CYS H 1 31 ASP H 1.800 . 2.800 2.138 2.108 2.190 . 0 0 "[ . 1]" 1
609 1 52 LEU HA 1 54 GLU H 1.800 . 4.200 4.021 3.978 4.241 0.041 8 0 "[ . 1]" 1
610 1 29 LYS HA 1 30 CYS H 1.800 . 4.200 3.578 3.568 3.584 . 0 0 "[ . 1]" 1
611 1 30 CYS H 1 31 ASP HA 1.800 . 4.200 4.279 4.260 4.299 0.099 4 0 "[ . 1]" 1
612 1 54 GLU H 1 55 SER HA 1.800 . 5.500 5.092 5.004 5.371 . 0 0 "[ . 1]" 1
613 1 53 PRO QD 1 54 GLU H 1.800 . 5.500 2.980 2.879 3.544 . 0 0 "[ . 1]" 1
614 1 27 CYS QB 1 30 CYS H 1.800 . 3.300 3.132 3.055 3.214 . 0 0 "[ . 1]" 1
615 1 54 GLU H 1 54 GLU QG 1.800 . 3.300 3.186 2.619 3.297 . 0 0 "[ . 1]" 1
616 1 29 LYS QG 1 30 CYS H 1.800 . 4.200 4.171 4.129 4.207 0.007 7 0 "[ . 1]" 1
617 1 29 LYS QB 1 31 ASP H 1.800 . 5.500 4.034 3.979 4.105 . 0 0 "[ . 1]" 1
618 1 33 TRP HE1 1 34 VAL H 1.800 . 5.500 3.911 3.660 4.211 . 0 0 "[ . 1]" 1
619 1 8 CYS HA 1 34 VAL H 1.800 . 5.500 4.842 4.454 5.321 . 0 0 "[ . 1]" 1
620 1 33 TRP QB 1 34 VAL H 1.800 . 4.200 3.317 3.234 3.368 . 0 0 "[ . 1]" 1
621 1 28 GLY H 1 58 TYR QD 1.800 . 4.200 3.811 3.706 3.976 . 0 0 "[ . 1]" 1
622 1 28 GLY H 1 59 THR HB 1.800 . 5.500 5.353 5.240 5.488 . 0 0 "[ . 1]" 1
623 1 27 CYS QB 1 28 GLY H 1.800 . 4.200 3.427 3.413 3.450 . 0 0 "[ . 1]" 1
624 1 28 GLY H 1 57 ALA MB 1.800 . 4.200 4.030 3.786 4.192 . 0 0 "[ . 1]" 1
625 1 28 GLY H 1 59 THR MG 1.800 . 5.500 3.575 3.433 3.716 . 0 0 "[ . 1]" 1
626 1 62 ASN HA 1 64 THR H 1.800 . 4.200 4.359 4.346 4.372 0.172 8 0 "[ . 1]" 1
627 1 39 GLU QB 1 40 ASN H 1.800 . 4.200 3.616 3.508 3.706 . 0 0 "[ . 1]" 1
628 1 37 LYS HA 1 40 ASN H 1.800 . 4.200 3.984 3.883 4.172 . 0 0 "[ . 1]" 1
629 1 21 GLU H 1 22 SER H 1.800 . 3.300 2.209 2.013 2.416 . 0 0 "[ . 1]" 1
630 1 21 GLU QG 1 22 SER H 1.800 . 5.500 4.293 2.759 4.746 . 0 0 "[ . 1]" 1
631 1 21 GLU QB 1 22 SER H 1.800 . 5.500 3.448 3.322 3.848 . 0 0 "[ . 1]" 1
632 1 47 GLU QG 1 51 ASN QD 1.800 . 5.500 4.225 3.945 4.612 . 0 0 "[ . 1]" 1
633 1 61 VAL MG2 1 62 ASN QD 1.800 . 4.200 4.072 3.897 4.156 . 0 0 "[ . 1]" 1
634 1 49 LEU MD2 1 50 SER H 1.800 . 4.200 2.852 2.780 2.911 . 0 0 "[ . 1]" 1
635 1 8 CYS QB 1 11 CYS H 1.800 . 5.500 3.435 3.058 3.912 . 0 0 "[ . 1]" 1
636 1 26 GLN QB 1 27 CYS H 1.800 . 5.500 3.893 3.845 3.923 . 0 0 "[ . 1]" 1
637 1 28 GLY H 1 63 CYS QB 1.800 . 5.500 5.198 5.131 5.266 . 0 0 "[ . 1]" 1
638 1 26 GLN QG 1 31 ASP H 1.800 . 5.500 4.870 4.760 5.046 . 0 0 "[ . 1]" 1
639 1 28 GLY QA 1 31 ASP H 1.800 . 5.500 3.688 3.631 3.770 . 0 0 "[ . 1]" 1
640 1 33 TRP H 1 33 TRP HE1 1.800 . 5.500 5.096 4.713 5.253 . 0 0 "[ . 1]" 1
641 1 56 VAL MG1 1 59 THR H 1.800 . 5.500 5.539 5.520 5.563 0.063 9 0 "[ . 1]" 1
642 1 7 PHE H 1 7 PHE QD 1.800 . 4.200 3.606 2.339 4.202 0.002 7 0 "[ . 1]" 1
643 1 27 CYS H 1 31 ASP H 1.800 . 5.500 4.477 4.344 4.570 . 0 0 "[ . 1]" 1
644 1 40 ASN H 1 41 LEU H 1.800 . 3.300 2.657 2.574 2.743 . 0 0 "[ . 1]" 1
645 1 41 LEU H 1 41 LEU HG 1.800 . 3.300 3.105 3.062 3.217 . 0 0 "[ . 1]" 1
646 1 42 SER H 1 45 MET QG 1.800 . 5.500 1.982 1.849 2.185 . 0 0 "[ . 1]" 1
647 1 46 TYR H 1 46 TYR QD 1.800 . 4.200 4.174 4.137 4.197 . 0 0 "[ . 1]" 1
648 1 44 GLU H 1 47 GLU H 1.800 . 4.200 4.287 4.258 4.301 0.101 4 0 "[ . 1]" 1
649 1 48 ILE H 1 50 SER H 1.800 . 4.200 4.159 4.136 4.203 0.003 10 0 "[ . 1]" 1
650 1 50 SER H 1 51 ASN H 1.800 . 3.300 2.608 2.597 2.619 . 0 0 "[ . 1]" 1
651 1 49 LEU H 1 50 SER H 1.800 . 3.300 2.461 2.420 2.485 . 0 0 "[ . 1]" 1
652 1 50 SER QB 1 51 ASN H 1.800 . 5.500 3.127 3.076 3.187 . 0 0 "[ . 1]" 1
653 1 50 SER H 1 52 LEU H 1.800 . 4.200 4.019 3.995 4.058 . 0 0 "[ . 1]" 1
654 1 54 GLU H 1 55 SER H 1.800 . 4.200 2.464 2.348 2.833 . 0 0 "[ . 1]" 1
655 1 52 LEU QB 1 54 GLU H 1.800 . 5.500 2.382 2.300 2.851 . 0 0 "[ . 1]" 1
656 1 54 GLU H 1 56 VAL MG2 1.800 . 5.500 4.062 3.944 4.452 . 0 0 "[ . 1]" 1
657 1 54 GLU QG 1 55 SER H 1.800 . 5.500 4.651 4.598 4.685 . 0 0 "[ . 1]" 1
658 1 55 SER H 1 56 VAL H 1.800 . 4.200 2.593 2.404 2.667 . 0 0 "[ . 1]" 1
659 1 56 VAL H 1 57 ALA H 1.800 . 4.200 4.368 4.358 4.385 0.185 4 0 "[ . 1]" 1
660 1 59 THR H 1 60 CYS H 1.800 . 5.500 4.431 4.417 4.437 . 0 0 "[ . 1]" 1
661 1 61 VAL MG2 1 65 GLU H 1.800 . 5.500 4.125 3.221 4.493 . 0 0 "[ . 1]" 1
662 1 47 GLU QB 1 51 ASN QD 1.800 . 5.500 2.534 2.129 3.238 . 0 0 "[ . 1]" 1
663 1 26 GLN QG 1 33 TRP HE1 1.800 . 5.500 3.643 2.829 4.250 . 0 0 "[ . 1]" 1
664 1 26 GLN H 1 26 GLN QG 1.800 . 5.500 4.003 3.945 4.022 . 0 0 "[ . 1]" 1
665 1 35 HIS H 1 38 CYS H 1.800 . 5.500 5.281 5.116 5.465 . 0 0 "[ . 1]" 1
666 1 15 TYR H 1 16 ASP H 1.800 . 4.200 3.139 2.864 3.252 . 0 0 "[ . 1]" 1
667 1 15 TYR QD 1 16 ASP H 1.800 . 4.200 4.231 4.170 4.266 0.066 3 0 "[ . 1]" 1
668 1 62 ASN H 1 63 CYS H 1.800 . 3.300 2.680 2.642 2.744 . 0 0 "[ . 1]" 1
669 1 11 CYS H 1 13 LYS H 1.800 . 5.500 4.533 4.290 4.962 . 0 0 "[ . 1]" 1
670 1 17 ASP H 1 18 ASP H 1.800 . 2.800 2.278 1.802 2.811 0.011 5 0 "[ . 1]" 1
671 1 47 GLU H 1 48 ILE QG 1.800 . 5.500 4.442 4.381 4.593 . 0 0 "[ . 1]" 1
672 1 22 SER H 1 24 MET H 1.800 . 5.500 5.112 4.333 5.544 0.044 8 0 "[ . 1]" 1
673 1 22 SER H 1 23 LYS H 1.800 . 4.200 3.688 2.755 4.243 0.043 2 0 "[ . 1]" 1
674 1 23 LYS QB 1 24 MET H 1.800 . 5.500 3.997 3.967 4.028 . 0 0 "[ . 1]" 1
675 1 26 GLN H 1 27 CYS H 1.800 . 5.500 4.334 4.322 4.343 . 0 0 "[ . 1]" 1
676 1 25 MET H 1 26 GLN H 1.800 . 5.500 4.481 4.429 4.507 . 0 0 "[ . 1]" 1
677 1 26 GLN H 1 58 TYR QD 1.800 . 5.500 4.672 4.548 4.857 . 0 0 "[ . 1]" 1
678 1 27 CYS H 1 58 TYR QE 1.800 . 5.500 4.574 4.396 4.767 . 0 0 "[ . 1]" 1
679 1 27 CYS H 1 28 GLY H 1.800 . 5.500 4.657 4.652 4.660 . 0 0 "[ . 1]" 1
680 1 28 GLY H 1 29 LYS QG 1.800 . 5.500 5.293 4.252 5.500 . 0 0 "[ . 1]" 1
681 1 29 LYS H 1 63 CYS QB 1.800 . 5.500 4.255 4.198 4.380 . 0 0 "[ . 1]" 1
682 1 28 GLY H 1 30 CYS H 1.800 . 4.200 4.185 4.163 4.207 0.007 9 0 "[ . 1]" 1
683 1 27 CYS H 1 30 CYS H 1.800 . 5.500 5.560 5.547 5.574 0.074 9 0 "[ . 1]" 1
684 1 30 CYS H 1 60 CYS H 1.800 . 5.500 4.594 4.433 4.666 . 0 0 "[ . 1]" 1
685 1 27 CYS HA 1 30 CYS H 1.800 . 5.500 5.109 5.066 5.133 . 0 0 "[ . 1]" 1
686 1 33 TRP H 1 33 TRP HE1 1.800 . 5.500 4.692 4.448 4.794 . 0 0 "[ . 1]" 1
687 1 33 TRP H 1 34 VAL H 1.800 . 5.500 4.463 4.429 4.502 . 0 0 "[ . 1]" 1
688 1 26 GLN QB 1 33 TRP HE1 1.800 . 5.500 4.489 4.144 4.995 . 0 0 "[ . 1]" 1
689 1 25 MET H 1 34 VAL H 1.800 . 4.200 2.421 2.245 2.543 . 0 0 "[ . 1]" 1
690 1 57 ALA H 1 58 TYR H 1.800 . 4.200 4.205 4.191 4.214 0.014 2 0 "[ . 1]" 1
691 1 40 ASN QB 1 41 LEU H 1.800 . 5.500 3.806 3.771 3.846 . 0 0 "[ . 1]" 1
692 1 39 GLU QB 1 41 LEU H 1.800 . 5.500 3.331 3.210 3.445 . 0 0 "[ . 1]" 1
693 1 37 LYS QB 1 41 LEU H 1.800 . 5.500 5.256 5.176 5.340 . 0 0 "[ . 1]" 1
694 1 41 LEU H 1 42 SER H 1.800 . 5.500 4.353 4.244 4.447 . 0 0 "[ . 1]" 1
695 1 46 TYR H 1 48 ILE H 1.800 . 5.500 4.008 3.987 4.026 . 0 0 "[ . 1]" 1
696 1 49 LEU HA 1 51 ASN H 1.800 . 5.500 3.849 3.796 3.892 . 0 0 "[ . 1]" 1
697 1 51 ASN H 1 51 ASN QD 1.800 . 4.200 3.314 2.649 3.979 . 0 0 "[ . 1]" 1
698 1 54 GLU H 1 56 VAL H 1.800 . 5.500 3.864 3.765 4.295 . 0 0 "[ . 1]" 1
699 1 56 VAL H 1 57 ALA HA 1.800 . 5.500 5.219 5.178 5.251 . 0 0 "[ . 1]" 1
700 1 20 TYR H 1 20 TYR QE 1.800 . 5.500 3.775 3.692 3.858 . 0 0 "[ . 1]" 1
701 1 10 LEU H 1 12 ASP H 1.800 . 4.200 4.004 3.821 4.242 0.042 3 0 "[ . 1]" 1
702 1 30 CYS H 1 63 CYS QB 1.800 . 5.500 4.147 4.019 4.246 . 0 0 "[ . 1]" 1
703 1 30 CYS H 1 31 ASP QB 1.800 . 5.500 4.825 4.678 4.969 . 0 0 "[ . 1]" 1
704 1 34 VAL MG2 1 35 HIS H 1.800 . 4.200 4.084 3.937 4.146 . 0 0 "[ . 1]" 1
705 1 65 GLU QB 1 66 ARG H 1.800 . 4.200 3.210 1.830 3.947 . 0 0 "[ . 1]" 1
706 1 41 LEU MD2 1 46 TYR H 1.800 . 4.200 4.218 4.192 4.240 0.040 3 0 "[ . 1]" 1
707 1 18 ASP HA 1 19 ASP H 1.800 . 3.300 2.707 2.500 2.835 . 0 0 "[ . 1]" 1
708 1 28 GLY H 1 29 LYS HA 1.800 . 5.500 4.811 4.787 4.834 . 0 0 "[ . 1]" 1
709 1 9 PRO HA 1 11 CYS H 1.800 . 5.500 4.936 4.759 5.364 . 0 0 "[ . 1]" 1
710 1 47 GLU HA 1 51 ASN QD 1.800 . 4.200 3.688 3.326 4.131 . 0 0 "[ . 1]" 1
711 1 10 LEU QB 1 12 ASP H 1.800 . 5.500 3.689 3.518 4.048 . 0 0 "[ . 1]" 1
712 1 52 LEU MD2 1 54 GLU H 1.800 . 5.500 3.933 3.820 4.446 . 0 0 "[ . 1]" 1
713 1 52 LEU MD2 1 55 SER H 1.800 . 5.500 3.377 3.273 3.493 . 0 0 "[ . 1]" 1
714 1 18 ASP H 1 19 ASP H 1.800 . 2.800 2.802 2.667 2.849 0.049 10 0 "[ . 1]" 1
715 1 31 ASP QB 1 33 TRP HE1 1.800 . 5.500 5.221 4.822 5.504 0.004 9 0 "[ . 1]" 1
716 1 27 CYS H 1 31 ASP HA 1.800 . 4.200 3.322 3.168 3.502 . 0 0 "[ . 1]" 1
717 1 7 PHE QD 1 8 CYS H 1.800 . 4.200 3.661 2.635 4.202 0.002 3 0 "[ . 1]" 1
718 1 58 TYR QD 1 59 THR H 1.800 . 4.200 3.697 3.639 3.756 . 0 0 "[ . 1]" 1
719 1 28 GLY QA 1 58 TYR H 1.800 . 4.200 3.532 3.443 3.672 . 0 0 "[ . 1]" 1
720 1 48 ILE HA 1 52 LEU H 1.800 . 4.200 4.236 4.224 4.252 0.052 2 0 "[ . 1]" 1
721 1 14 CYS QB 1 16 ASP H 1.800 . 4.200 3.815 3.528 4.244 0.044 6 0 "[ . 1]" 1
722 1 23 LYS H 1 23 LYS QG 1.800 . 4.200 4.080 3.978 4.213 0.013 9 0 "[ . 1]" 1
723 1 59 THR MG 1 63 CYS H 1.800 . 4.200 4.092 3.876 4.221 0.021 8 0 "[ . 1]" 1
724 1 10 LEU H 1 10 LEU MD1 1.800 . 5.500 3.753 3.030 4.145 . 0 0 "[ . 1]" 1
725 1 18 ASP HA 1 20 TYR H 1.800 . 3.300 3.043 3.006 3.082 . 0 0 "[ . 1]" 1
726 1 18 ASP QB 1 20 TYR H 1.800 . 4.200 3.988 3.680 4.148 . 0 0 "[ . 1]" 1
727 1 52 LEU MD2 1 56 VAL H 1.800 . 3.300 3.263 3.234 3.277 . 0 0 "[ . 1]" 1
728 1 43 ASP HA 1 46 TYR H 1.800 . 3.300 3.351 3.342 3.366 0.066 8 0 "[ . 1]" 1
729 1 47 GLU H 1 48 ILE MD 1.800 . 4.200 4.213 4.169 4.241 0.041 2 0 "[ . 1]" 1
730 1 44 GLU QG 1 48 ILE H 1.800 . 4.200 4.259 4.240 4.282 0.082 9 0 "[ . 1]" 1
731 1 41 LEU H 1 41 LEU MD1 1.800 . 4.200 3.576 3.330 3.886 . 0 0 "[ . 1]" 1
732 1 29 LYS QE 1 64 THR H 1.800 . 5.500 4.872 4.197 5.518 0.018 6 0 "[ . 1]" 1
733 1 48 ILE HA 1 51 ASN QD 1.800 . 5.500 3.491 2.734 4.588 . 0 0 "[ . 1]" 1
734 1 53 PRO QG 1 55 SER H 1.800 . 5.500 2.416 2.281 2.660 . 0 0 "[ . 1]" 1
735 1 36 SER QB 1 46 TYR QE 1.800 . 4.200 2.374 1.818 2.691 . 0 0 "[ . 1]" 1
736 1 23 LYS QG 1 46 TYR QE 1.800 . 4.200 3.838 3.359 4.212 0.012 9 0 "[ . 1]" 1
737 1 25 MET QB 1 58 TYR QE 1.800 . 4.200 2.834 2.557 3.170 . 0 0 "[ . 1]" 1
738 1 25 MET QG 1 58 TYR QE 1.800 . 4.200 2.834 2.435 3.161 . 0 0 "[ . 1]" 1
739 1 15 TYR QB 1 15 TYR QE 1.800 . 4.200 3.948 3.938 3.958 . 0 0 "[ . 1]" 1
740 1 14 CYS QB 1 15 TYR QE 1.800 . 5.500 4.940 3.361 5.498 . 0 0 "[ . 1]" 1
741 1 24 MET QB 1 33 TRP HZ3 1.800 . 4.200 3.613 3.387 3.929 . 0 0 "[ . 1]" 1
742 1 33 TRP QB 1 33 TRP HZ3 1.800 . 5.500 4.768 4.638 4.824 . 0 0 "[ . 1]" 1
743 1 25 MET HA 1 33 TRP HZ3 1.800 . 4.200 3.299 2.797 4.166 . 0 0 "[ . 1]" 1
744 1 26 GLN QB 1 33 TRP HE1 1.800 . 4.200 3.863 3.634 4.068 . 0 0 "[ . 1]" 1
745 1 26 GLN QG 1 33 TRP HD1 1.800 . 5.500 4.371 3.684 4.952 . 0 0 "[ . 1]" 1
746 1 6 ASN QB 1 33 TRP HD1 1.800 . 4.200 2.300 1.824 4.010 . 0 0 "[ . 1]" 1
747 1 14 CYS HA 1 15 TYR QD 1.800 . 4.200 3.166 2.977 3.469 . 0 0 "[ . 1]" 1
748 1 14 CYS QB 1 15 TYR QD 1.800 . 4.200 3.382 1.961 3.880 . 0 0 "[ . 1]" 1
749 1 41 LEU HG 1 46 TYR QD 1.800 . 4.200 4.128 3.977 4.212 0.012 8 0 "[ . 1]" 1
750 1 49 LEU MD2 1 58 TYR QD 1.800 . 3.300 3.297 3.230 3.346 0.046 4 0 "[ . 1]" 1
751 1 18 ASP HA 1 20 TYR QD 1.800 . 4.200 3.165 2.902 3.488 . 0 0 "[ . 1]" 1
752 1 20 TYR QD 1 21 GLU HA 1.800 . 4.200 3.576 3.292 3.810 . 0 0 "[ . 1]" 1
753 1 20 TYR QD 1 21 GLU H 1.800 . 5.500 2.653 2.302 2.907 . 0 0 "[ . 1]" 1
754 1 58 TYR QD 1 59 THR HA 1.800 . 5.500 3.610 3.500 3.667 . 0 0 "[ . 1]" 1
755 1 25 MET HA 1 58 TYR QD 1.800 . 5.500 5.283 4.976 5.499 . 0 0 "[ . 1]" 1
756 1 27 CYS QB 1 58 TYR QD 1.800 . 4.200 3.180 3.064 3.317 . 0 0 "[ . 1]" 1
757 1 46 TYR QD 1 47 GLU QG 1.800 . 4.200 3.721 3.575 3.869 . 0 0 "[ . 1]" 1
758 1 41 LEU QB 1 46 TYR QD 1.800 . 4.200 1.883 1.807 1.973 . 0 0 "[ . 1]" 1
759 1 24 MET QG 1 35 HIS HE1 1.800 . 5.500 5.270 4.828 5.527 0.027 4 0 "[ . 1]" 1
760 1 13 LYS QG 1 35 HIS HE1 1.800 . 4.200 3.867 2.870 4.262 0.062 1 0 "[ . 1]" 1
761 1 26 GLN QE 1 33 TRP HZ2 1.800 . 4.200 3.650 2.854 4.135 . 0 0 "[ . 1]" 1
762 1 26 GLN QB 1 33 TRP HZ2 1.800 . 5.500 3.519 3.061 3.925 . 0 0 "[ . 1]" 1
763 1 26 GLN QB 1 33 TRP HZ3 1.800 . 5.500 3.831 3.404 4.347 . 0 0 "[ . 1]" 1
764 1 18 ASP QB 1 20 TYR QD 1.800 . 4.200 4.036 3.671 4.178 . 0 0 "[ . 1]" 1
765 1 20 TYR QD 1 21 GLU QB 1.800 . 5.500 2.432 1.923 2.928 . 0 0 "[ . 1]" 1
766 1 19 ASP H 1 20 TYR QD 1.800 . 4.200 3.600 3.324 3.970 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 12
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 30.057
_Distance_constraint_stats_list.Viol_max 0.197
_Distance_constraint_stats_list.Viol_rms 0.0463
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.0716
_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 8 CYS 1.615 0.197 6 0 "[ . 1]"
1 11 CYS 2.073 0.197 6 0 "[ . 1]"
1 27 CYS 0.240 0.070 9 0 "[ . 1]"
1 30 CYS 0.189 0.123 2 0 "[ . 1]"
1 35 HIS 0.402 0.081 2 0 "[ . 1]"
1 38 CYS 1.063 0.116 4 0 "[ . 1]"
1 60 CYS 0.000 0.000 . 0 "[ . 1]"
1 63 CYS 0.429 0.123 2 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 CYS SG 1 30 CYS SG 3.700 3.450 3.950 3.774 3.647 3.830 . 0 0 "[ . 1]" 2
2 1 27 CYS SG 1 60 CYS SG 3.700 3.450 3.970 3.809 3.749 3.853 . 0 0 "[ . 1]" 2
3 1 27 CYS SG 1 63 CYS SG 3.700 3.450 3.950 3.974 3.945 4.020 0.070 9 0 "[ . 1]" 2
4 1 30 CYS SG 1 60 CYS SG 3.700 3.450 3.950 3.567 3.479 3.668 . 0 0 "[ . 1]" 2
5 1 30 CYS SG 1 63 CYS SG 3.700 3.450 3.950 3.491 3.327 3.593 0.123 2 0 "[ . 1]" 2
6 1 60 CYS SG 1 63 CYS SG 3.700 3.450 3.950 3.612 3.459 3.734 . 0 0 "[ . 1]" 2
7 1 8 CYS SG 1 11 CYS SG 3.700 3.450 3.950 4.092 4.038 4.147 0.197 6 0 "[ . 1]" 2
8 1 11 CYS SG 1 38 CYS SG 3.700 3.450 3.950 3.393 3.334 3.471 0.116 4 0 "[ . 1]" 2
9 1 8 CYS SG 1 38 CYS SG 3.700 3.450 3.950 3.669 3.360 3.968 0.090 1 0 "[ . 1]" 2
10 1 35 HIS ND1 1 38 CYS SG 3.600 3.350 3.850 3.552 3.269 3.891 0.081 2 0 "[ . 1]" 2
11 1 8 CYS SG 1 35 HIS ND1 3.600 3.350 3.850 3.521 3.319 3.768 0.031 6 0 "[ . 1]" 2
12 1 11 CYS SG 1 35 HIS ND1 3.600 3.350 3.850 3.798 3.593 3.906 0.056 4 0 "[ . 1]" 2
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