NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405879 |
1xbd   |
4241 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xbd
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 608
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 19.925
_Distance_constraint_stats_list.Viol_max 0.216
_Distance_constraint_stats_list.Viol_rms 0.0115
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0202
_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 1 THR 0.000 0.000 . 0 "[ .]"
1 2 GLY 0.000 0.000 . 0 "[ .]"
1 3 CYS 0.092 0.081 2 0 "[ .]"
1 4 SER 1.047 0.178 3 0 "[ .]"
1 5 VAL 1.513 0.178 3 0 "[ .]"
1 6 THR 0.039 0.011 5 0 "[ .]"
1 7 ALA 0.011 0.009 2 0 "[ .]"
1 8 THR 0.000 0.000 . 0 "[ .]"
1 9 ARG 0.001 0.001 3 0 "[ .]"
1 10 ALA 0.000 0.000 . 0 "[ .]"
1 11 GLU 0.000 0.000 . 0 "[ .]"
1 12 GLU 0.000 0.000 . 0 "[ .]"
1 13 TRP 0.000 0.000 . 0 "[ .]"
1 14 SER 0.000 0.000 . 0 "[ .]"
1 15 ASP 0.002 0.002 4 0 "[ .]"
1 16 ARG 0.004 0.002 4 0 "[ .]"
1 17 PHE 0.008 0.005 1 0 "[ .]"
1 18 ASN 0.000 0.000 . 0 "[ .]"
1 19 VAL 0.017 0.008 3 0 "[ .]"
1 20 THR 0.039 0.009 3 0 "[ .]"
1 21 TYR 0.147 0.031 2 0 "[ .]"
1 22 SER 0.000 0.000 . 0 "[ .]"
1 23 VAL 0.495 0.118 2 0 "[ .]"
1 24 SER 0.003 0.002 3 0 "[ .]"
1 25 GLY 0.001 0.001 5 0 "[ .]"
1 26 SER 0.053 0.014 3 0 "[ .]"
1 27 SER 0.019 0.014 1 0 "[ .]"
1 28 ALA 0.000 0.000 . 0 "[ .]"
1 29 TRP 0.206 0.017 1 0 "[ .]"
1 30 THR 0.054 0.014 3 0 "[ .]"
1 31 VAL 0.069 0.015 2 0 "[ .]"
1 32 ASN 0.005 0.005 1 0 "[ .]"
1 33 LEU 0.221 0.041 1 0 "[ .]"
1 34 ALA 0.045 0.013 3 0 "[ .]"
1 35 LEU 0.116 0.038 2 0 "[ .]"
1 36 ASN 0.154 0.079 5 0 "[ .]"
1 37 GLY 0.081 0.079 5 0 "[ .]"
1 38 SER 0.000 0.000 . 0 "[ .]"
1 39 GLN 0.000 0.000 . 0 "[ .]"
1 40 THR 0.000 0.000 . 0 "[ .]"
1 41 ILE 0.051 0.027 3 0 "[ .]"
1 42 GLN 0.000 0.000 . 0 "[ .]"
1 43 ALA 0.012 0.009 3 0 "[ .]"
1 44 SER 0.004 0.003 3 0 "[ .]"
1 45 TRP 0.020 0.012 3 0 "[ .]"
1 46 ASN 0.000 0.000 . 0 "[ .]"
1 47 ALA 0.008 0.004 3 0 "[ .]"
1 48 ASN 0.000 0.000 . 0 "[ .]"
1 49 VAL 0.022 0.007 1 0 "[ .]"
1 50 THR 0.000 0.000 . 0 "[ .]"
1 51 GLY 0.000 0.000 . 0 "[ .]"
1 52 SER 0.000 0.000 . 0 "[ .]"
1 53 GLY 0.000 0.000 . 0 "[ .]"
1 54 SER 0.000 0.000 . 0 "[ .]"
1 55 THR 0.059 0.017 2 0 "[ .]"
1 56 ARG 0.195 0.044 4 0 "[ .]"
1 57 THR 0.050 0.044 4 0 "[ .]"
1 58 VAL 0.045 0.014 2 0 "[ .]"
1 59 THR 0.000 0.000 . 0 "[ .]"
1 60 PRO 0.010 0.005 3 0 "[ .]"
1 61 ASN 0.003 0.002 4 0 "[ .]"
1 62 GLY 0.000 0.000 2 0 "[ .]"
1 63 SER 0.000 0.000 . 0 "[ .]"
1 64 GLY 0.000 0.000 . 0 "[ .]"
1 65 ASN 0.017 0.013 2 0 "[ .]"
1 66 THR 0.000 0.000 . 0 "[ .]"
1 67 PHE 0.000 0.000 4 0 "[ .]"
1 68 GLY 0.012 0.012 3 0 "[ .]"
1 69 VAL 0.000 0.000 . 0 "[ .]"
1 70 THR 0.000 0.000 . 0 "[ .]"
1 71 VAL 0.000 0.000 . 0 "[ .]"
1 72 MET 0.000 0.000 . 0 "[ .]"
1 73 LYS 0.001 0.001 1 0 "[ .]"
1 74 ASN 0.004 0.003 4 0 "[ .]"
1 75 GLY 0.004 0.003 4 0 "[ .]"
1 76 SER 0.000 0.000 . 0 "[ .]"
1 77 SER 0.000 0.000 . 0 "[ .]"
1 78 THR 1.077 0.216 4 0 "[ .]"
1 79 THR 0.093 0.038 2 0 "[ .]"
1 80 PRO 0.000 0.000 . 0 "[ .]"
1 81 ALA 0.024 0.011 3 0 "[ .]"
1 82 ALA 0.188 0.021 3 0 "[ .]"
1 83 THR 0.201 0.040 2 0 "[ .]"
1 84 CYS 0.229 0.034 4 0 "[ .]"
1 85 ALA 0.023 0.013 3 0 "[ .]"
1 86 GLY 0.002 0.002 5 0 "[ .]"
1 87 SER 0.000 0.000 . 0 "[ .]"
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 1 THR HA 1 2 GLY H 3.700 . 3.700 2.770 2.210 3.589 . 0 0 "[ .]" 1
2 1 2 GLY QA 1 3 CYS H 2.500 . 2.500 2.239 2.163 2.330 . 0 0 "[ .]" 1
3 1 2 GLY H 1 2 GLY QA 2.500 . 2.500 2.358 2.281 2.474 . 0 0 "[ .]" 1
4 1 3 CYS HA 1 25 GLY HA3 4.510 . 4.510 3.823 3.029 4.409 . 0 0 "[ .]" 1
5 1 3 CYS HA 1 4 SER H 2.500 . 2.500 2.483 2.336 2.581 0.081 2 0 "[ .]" 1
6 1 3 CYS HB2 1 4 SER H 3.700 . 3.700 2.439 2.324 2.775 . 0 0 "[ .]" 1
7 1 3 CYS H 1 3 CYS HB3 4.080 . 4.080 3.320 3.235 3.433 . 0 0 "[ .]" 1
8 1 4 SER HA 1 5 VAL MG1 4.970 . 4.970 5.145 5.138 5.148 0.178 3 0 "[ .]" 1
9 1 4 SER HA 1 5 VAL MG2 4.510 . 4.510 2.839 2.786 2.890 . 0 0 "[ .]" 1
10 1 4 SER HA 1 5 VAL H 2.500 . 2.500 2.517 2.508 2.530 0.030 5 0 "[ .]" 1
11 1 4 SER HA 1 4 SER QB 2.500 . 2.500 2.246 2.171 2.494 . 0 0 "[ .]" 1
12 1 4 SER H 1 4 SER QB 3.700 . 3.700 3.027 2.457 3.281 . 0 0 "[ .]" 1
13 1 4 SER H 1 24 SER H 4.080 . 4.080 3.486 3.111 3.924 . 0 0 "[ .]" 1
14 1 4 SER H 1 23 VAL HA 5.500 . 5.500 4.190 3.703 5.130 . 0 0 "[ .]" 1
15 1 4 SER H 1 23 VAL MG1 4.510 . 4.510 2.748 2.315 3.478 . 0 0 "[ .]" 1
16 1 5 VAL HA 1 24 SER H 5.500 . 5.500 4.498 4.165 4.830 . 0 0 "[ .]" 1
17 1 5 VAL HA 1 6 THR H 2.500 . 2.500 2.325 2.192 2.508 0.008 4 0 "[ .]" 1
18 1 5 VAL HA 1 23 VAL HA 3.040 . 3.040 2.715 2.406 2.913 . 0 0 "[ .]" 1
19 1 5 VAL HB 1 6 THR H 5.500 . 5.500 3.624 3.031 4.170 . 0 0 "[ .]" 1
20 1 5 VAL HB 1 23 VAL MG1 5.500 . 5.500 5.476 5.399 5.528 0.028 1 0 "[ .]" 1
21 1 5 VAL HB 1 23 VAL MG2 3.700 . 3.700 3.761 3.731 3.818 0.118 2 0 "[ .]" 1
22 1 5 VAL QG 1 6 THR H 3.040 . 3.040 2.481 1.890 3.051 0.011 5 0 "[ .]" 1
23 1 5 VAL MG1 1 84 CYS QB 3.700 . 3.700 3.666 3.509 3.714 0.014 5 0 "[ .]" 1
24 1 5 VAL MG2 1 84 CYS QB 4.080 . 4.080 1.917 1.894 1.971 0.006 5 0 "[ .]" 1
25 1 5 VAL MG1 1 84 CYS H 4.510 . 4.510 4.524 4.513 4.532 0.022 4 0 "[ .]" 1
26 1 5 VAL MG1 1 22 SER H 4.970 . 4.970 2.850 2.338 3.793 . 0 0 "[ .]" 1
27 1 5 VAL HA 1 5 VAL MG1 2.750 . 2.750 2.011 1.971 2.068 . 0 0 "[ .]" 1
28 1 5 VAL HA 1 5 VAL MG2 3.040 . 3.040 2.687 2.653 2.711 . 0 0 "[ .]" 1
29 1 5 VAL MG1 1 23 VAL HA 4.080 . 4.080 3.590 3.275 3.885 . 0 0 "[ .]" 1
30 1 5 VAL MG1 1 21 TYR QE 4.080 . 4.080 3.780 3.346 3.984 . 0 0 "[ .]" 1
31 1 5 VAL MG2 1 83 THR HA 2.500 . 2.500 2.505 2.468 2.540 0.040 2 0 "[ .]" 1
32 1 5 VAL H 1 5 VAL HB 4.080 . 4.080 3.036 3.016 3.055 . 0 0 "[ .]" 1
33 1 5 VAL H 1 5 VAL MG1 4.510 . 4.510 3.932 3.919 3.945 . 0 0 "[ .]" 1
34 1 5 VAL H 1 5 VAL MG2 3.040 . 3.040 2.241 2.159 2.365 . 0 0 "[ .]" 1
35 1 6 THR HA 1 7 ALA H 2.500 . 2.500 2.199 2.191 2.219 . 0 0 "[ .]" 1
36 1 6 THR HB 1 7 ALA H 3.700 . 3.700 3.633 3.352 3.709 0.009 2 0 "[ .]" 1
37 1 6 THR HA 1 6 THR MG 3.040 . 3.040 2.131 1.971 2.362 . 0 0 "[ .]" 1
38 1 6 THR H 1 22 SER H 5.500 . 5.500 2.704 2.269 3.142 . 0 0 "[ .]" 1
39 1 6 THR H 1 6 THR HB 3.700 . 3.700 3.594 3.414 3.700 0.000 2 0 "[ .]" 1
40 1 6 THR H 1 6 THR MG 4.080 . 4.080 3.343 2.413 3.783 . 0 0 "[ .]" 1
41 1 6 THR H 1 23 VAL HA 5.500 . 5.500 3.867 3.452 4.104 . 0 0 "[ .]" 1
42 1 7 ALA HA 1 8 THR H 2.500 . 2.500 2.263 2.214 2.315 . 0 0 "[ .]" 1
43 1 7 ALA HA 1 19 VAL MG1 4.970 . 4.970 3.341 3.115 3.551 . 0 0 "[ .]" 1
44 1 7 ALA HA 1 21 TYR QD 4.510 . 4.510 3.906 3.775 4.115 . 0 0 "[ .]" 1
45 1 7 ALA HA 1 21 TYR QE 5.500 . 5.500 4.500 4.414 4.545 . 0 0 "[ .]" 1
46 1 7 ALA H 1 7 ALA MB 2.500 . 2.500 2.378 2.250 2.497 . 0 0 "[ .]" 1
47 1 8 THR HA 1 9 ARG H 2.500 . 2.500 2.327 2.207 2.488 . 0 0 "[ .]" 1
48 1 8 THR MG 1 9 ARG H 3.700 . 3.700 2.360 1.965 2.757 . 0 0 "[ .]" 1
49 1 8 THR HA 1 8 THR MG 2.500 . 2.500 2.218 2.079 2.373 . 0 0 "[ .]" 1
50 1 8 THR H 1 8 THR HB 3.700 . 3.700 2.996 2.639 3.370 . 0 0 "[ .]" 1
51 1 8 THR H 1 20 THR H 4.510 . 4.510 2.652 2.106 3.060 . 0 0 "[ .]" 1
52 1 8 THR H 1 19 VAL MG1 4.080 . 4.080 3.074 2.438 3.688 . 0 0 "[ .]" 1
53 1 9 ARG HA 1 20 THR H 4.970 . 4.970 4.026 3.877 4.202 . 0 0 "[ .]" 1
54 1 9 ARG HA 1 19 VAL MG1 4.080 . 4.080 3.290 3.102 3.616 . 0 0 "[ .]" 1
55 1 9 ARG HA 1 19 VAL MG2 4.080 . 4.080 3.951 3.791 4.081 0.001 3 0 "[ .]" 1
56 1 9 ARG HB3 1 10 ALA H 4.510 . 4.510 3.326 3.067 3.699 . 0 0 "[ .]" 1
57 1 9 ARG QD 1 10 ALA H 4.970 . 4.970 3.794 3.319 4.121 . 0 0 "[ .]" 1
58 1 9 ARG HA 1 9 ARG QD 3.350 . 3.350 2.910 2.660 3.317 . 0 0 "[ .]" 1
59 1 9 ARG HE 1 17 PHE QD 5.500 . 5.500 4.831 3.970 5.336 . 0 0 "[ .]" 1
60 1 9 ARG HB3 1 9 ARG HE 4.080 . 4.080 3.115 2.189 3.962 . 0 0 "[ .]" 1
61 1 9 ARG QD 1 9 ARG HE 2.750 . 2.750 2.358 2.236 2.481 . 0 0 "[ .]" 1
62 1 9 ARG HE 1 9 ARG QG 5.500 . 5.500 2.801 2.184 3.319 . 0 0 "[ .]" 1
63 1 9 ARG H 1 9 ARG HB3 4.080 . 4.080 3.572 3.521 3.607 . 0 0 "[ .]" 1
64 1 9 ARG H 1 9 ARG QG 4.970 . 4.970 2.893 2.478 3.122 . 0 0 "[ .]" 1
65 1 10 ALA HA 1 11 GLU H 4.510 . 4.510 3.462 2.987 3.587 . 0 0 "[ .]" 1
66 1 10 ALA MB 1 11 GLU H 2.500 . 2.500 2.078 1.903 2.310 . 0 0 "[ .]" 1
67 1 10 ALA MB 1 18 ASN HB2 3.350 . 3.350 2.868 2.190 3.335 . 0 0 "[ .]" 1
68 1 10 ALA MB 1 18 ASN HD21 4.970 . 4.970 4.272 3.681 4.904 . 0 0 "[ .]" 1
69 1 10 ALA MB 1 18 ASN H 5.500 . 5.500 4.441 3.986 4.857 . 0 0 "[ .]" 1
70 1 10 ALA MB 1 20 THR H 5.500 . 5.500 4.437 3.474 5.201 . 0 0 "[ .]" 1
71 1 10 ALA H 1 10 ALA MB 3.040 . 3.040 2.308 2.097 2.452 . 0 0 "[ .]" 1
72 1 10 ALA H 1 11 GLU H 4.970 . 4.970 2.897 2.310 4.193 . 0 0 "[ .]" 1
73 1 10 ALA H 1 19 VAL HA 4.080 . 4.080 3.342 2.863 3.909 . 0 0 "[ .]" 1
74 1 10 ALA H 1 19 VAL MG2 5.500 . 5.500 4.637 4.220 5.051 . 0 0 "[ .]" 1
75 1 11 GLU HA 1 12 GLU H 2.500 . 2.500 2.228 2.191 2.272 . 0 0 "[ .]" 1
76 1 11 GLU HB3 1 12 GLU H 4.080 . 4.080 3.236 2.990 3.602 . 0 0 "[ .]" 1
77 1 11 GLU HB3 1 13 TRP HE1 5.500 . 5.500 4.648 3.853 5.497 . 0 0 "[ .]" 1
78 1 11 GLU HB2 1 13 TRP HH2 4.970 . 4.970 2.849 2.579 3.477 . 0 0 "[ .]" 1
79 1 11 GLU HB2 1 13 TRP HZ3 4.970 . 4.970 3.013 2.272 3.724 . 0 0 "[ .]" 1
80 1 11 GLU HB2 1 18 ASN HD21 4.080 . 4.080 3.532 2.897 4.072 . 0 0 "[ .]" 1
81 1 11 GLU HB2 1 18 ASN H 5.500 . 5.500 3.836 3.444 4.492 . 0 0 "[ .]" 1
82 1 11 GLU QG 1 13 TRP HH2 5.500 . 5.500 3.419 2.814 4.680 . 0 0 "[ .]" 1
83 1 11 GLU H 1 11 GLU HA 3.040 . 3.040 2.942 2.786 2.986 . 0 0 "[ .]" 1
84 1 11 GLU H 1 11 GLU HB2 3.350 . 3.350 2.541 2.357 2.725 . 0 0 "[ .]" 1
85 1 11 GLU H 1 11 GLU QG 3.700 . 3.700 2.837 2.281 3.341 . 0 0 "[ .]" 1
86 1 11 GLU H 1 12 GLU H 5.500 . 5.500 4.473 4.350 4.619 . 0 0 "[ .]" 1
87 1 11 GLU H 1 18 ASN HB2 3.700 . 3.700 2.660 2.423 3.378 . 0 0 "[ .]" 1
88 1 11 GLU H 1 18 ASN HD21 5.500 . 5.500 4.389 4.127 4.771 . 0 0 "[ .]" 1
89 1 11 GLU H 1 18 ASN H 5.500 . 5.500 3.671 2.780 4.907 . 0 0 "[ .]" 1
90 1 12 GLU HA 1 17 PHE HA 3.040 . 3.040 2.703 2.524 2.924 . 0 0 "[ .]" 1
91 1 12 GLU HA 1 13 TRP H 3.040 . 3.040 2.238 2.191 2.369 . 0 0 "[ .]" 1
92 1 13 TRP HA 1 14 SER H 3.350 . 3.350 2.643 2.523 2.730 . 0 0 "[ .]" 1
93 1 13 TRP HB3 1 15 ASP H 4.970 . 4.970 2.499 2.261 2.711 . 0 0 "[ .]" 1
94 1 13 TRP HB2 1 16 ARG H 4.080 . 4.080 2.534 2.413 2.946 . 0 0 "[ .]" 1
95 1 13 TRP HA 1 13 TRP HD1 4.080 . 4.080 2.707 2.456 3.094 . 0 0 "[ .]" 1
96 1 13 TRP HB3 1 13 TRP HD1 3.350 . 3.350 2.790 2.652 2.885 . 0 0 "[ .]" 1
97 1 13 TRP HE3 1 17 PHE HA 3.040 . 3.040 2.927 2.622 3.029 . 0 0 "[ .]" 1
98 1 13 TRP HE3 1 18 ASN H 5.500 . 5.500 3.829 3.092 4.388 . 0 0 "[ .]" 1
99 1 13 TRP HB2 1 13 TRP HE3 3.350 . 3.350 2.521 2.474 2.614 . 0 0 "[ .]" 1
100 1 13 TRP HH2 1 18 ASN HD22 4.080 . 4.080 3.141 2.326 3.935 . 0 0 "[ .]" 1
101 1 13 TRP H 1 17 PHE HA 4.510 . 4.510 2.895 2.741 3.011 . 0 0 "[ .]" 1
102 1 13 TRP H 1 17 PHE QB 5.500 . 5.500 3.219 3.055 3.367 . 0 0 "[ .]" 1
103 1 13 TRP H 1 16 ARG H 5.500 . 5.500 3.798 3.632 3.921 . 0 0 "[ .]" 1
104 1 13 TRP H 1 13 TRP HE3 3.700 . 3.700 3.370 3.061 3.615 . 0 0 "[ .]" 1
105 1 13 TRP HZ3 1 17 PHE HA 4.970 . 4.970 4.136 3.802 4.381 . 0 0 "[ .]" 1
106 1 13 TRP HZ3 1 18 ASN H 4.970 . 4.970 3.548 2.999 4.159 . 0 0 "[ .]" 1
107 1 14 SER QB 1 15 ASP H 3.700 . 3.700 3.453 3.203 3.672 . 0 0 "[ .]" 1
108 1 15 ASP HA 1 16 ARG H 4.510 . 4.510 3.443 3.122 3.567 . 0 0 "[ .]" 1
109 1 15 ASP HA 1 15 ASP HB2 2.750 . 2.750 2.585 2.452 2.627 . 0 0 "[ .]" 1
110 1 15 ASP H 1 16 ARG H 3.040 . 3.040 1.953 1.898 2.101 0.002 4 0 "[ .]" 1
111 1 16 ARG HA 1 17 PHE QD 4.080 . 4.080 3.396 3.104 3.591 . 0 0 "[ .]" 1
112 1 16 ARG HA 1 17 PHE H 2.500 . 2.500 2.413 2.350 2.461 . 0 0 "[ .]" 1
113 1 16 ARG HA 1 73 LYS H 2.750 . 2.750 2.092 1.899 2.297 0.001 1 0 "[ .]" 1
114 1 16 ARG HA 1 72 MET HA 3.040 . 3.040 2.506 2.302 2.784 . 0 0 "[ .]" 1
115 1 16 ARG HB3 1 17 PHE H 5.500 . 5.500 3.815 3.679 3.888 . 0 0 "[ .]" 1
116 1 16 ARG QD 1 70 THR MG 2.750 . 2.750 2.137 1.905 2.501 . 0 0 "[ .]" 1
117 1 16 ARG HB3 1 16 ARG HE 5.500 . 5.500 4.076 3.119 4.688 . 0 0 "[ .]" 1
118 1 16 ARG HE 1 16 ARG QG 4.510 . 4.510 2.265 2.194 2.355 . 0 0 "[ .]" 1
119 1 16 ARG HE 1 70 THR MG 4.970 . 4.970 3.321 2.851 4.145 . 0 0 "[ .]" 1
120 1 17 PHE HA 1 17 PHE QB 2.500 . 2.500 2.199 2.199 2.200 . 0 0 "[ .]" 1
121 1 17 PHE HA 1 18 ASN H 2.500 . 2.500 2.287 2.217 2.401 . 0 0 "[ .]" 1
122 1 17 PHE QB 1 18 ASN H 3.700 . 3.700 2.885 2.542 3.147 . 0 0 "[ .]" 1
123 1 17 PHE HA 1 17 PHE QD 4.970 . 4.970 3.701 3.690 3.708 . 0 0 "[ .]" 1
124 1 17 PHE QD 1 18 ASN H 5.500 . 5.500 3.702 3.455 3.919 . 0 0 "[ .]" 1
125 1 17 PHE QD 1 19 VAL MG1 4.510 . 4.510 3.931 3.793 3.994 . 0 0 "[ .]" 1
126 1 17 PHE QD 1 19 VAL MG2 2.500 . 2.500 2.032 1.991 2.128 . 0 0 "[ .]" 1
127 1 17 PHE QD 1 71 VAL MG2 4.970 . 4.970 4.002 3.701 4.296 . 0 0 "[ .]" 1
128 1 17 PHE QE 1 79 THR MG 4.080 . 4.080 1.911 1.898 1.945 0.002 5 0 "[ .]" 1
129 1 17 PHE QE 1 19 VAL MG1 4.510 . 4.510 3.499 3.369 3.618 . 0 0 "[ .]" 1
130 1 17 PHE QE 1 19 VAL MG2 2.500 . 2.500 1.931 1.895 1.985 0.005 1 0 "[ .]" 1
131 1 17 PHE QE 1 71 VAL MG2 4.080 . 4.080 2.617 2.501 2.900 . 0 0 "[ .]" 1
132 1 17 PHE H 1 17 PHE QB 5.500 . 5.500 3.060 2.985 3.168 . 0 0 "[ .]" 1
133 1 17 PHE H 1 17 PHE QD 3.700 . 3.700 2.763 2.626 2.829 . 0 0 "[ .]" 1
134 1 17 PHE H 1 70 THR MG 4.970 . 4.970 4.134 3.665 4.324 . 0 0 "[ .]" 1
135 1 17 PHE H 1 71 VAL H 4.080 . 4.080 3.817 3.471 4.066 . 0 0 "[ .]" 1
136 1 17 PHE HZ 1 39 GLN QE 3.700 . 3.700 2.383 2.026 2.757 . 0 0 "[ .]" 1
137 1 17 PHE HZ 1 19 VAL MG2 4.510 . 4.510 3.870 3.791 3.931 . 0 0 "[ .]" 1
138 1 17 PHE HZ 1 71 VAL MG2 4.510 . 4.510 2.963 2.743 3.196 . 0 0 "[ .]" 1
139 1 18 ASN HA 1 70 THR HA 3.040 . 3.040 2.633 2.385 2.910 . 0 0 "[ .]" 1
140 1 18 ASN HA 1 19 VAL H 2.500 . 2.500 2.356 2.317 2.405 . 0 0 "[ .]" 1
141 1 18 ASN HA 1 69 VAL H 5.500 . 5.500 4.778 4.532 5.153 . 0 0 "[ .]" 1
142 1 18 ASN HA 1 71 VAL H 5.500 . 5.500 3.278 2.907 3.518 . 0 0 "[ .]" 1
143 1 18 ASN HB3 1 19 VAL H 4.510 . 4.510 2.736 2.589 2.869 . 0 0 "[ .]" 1
144 1 18 ASN HB2 1 18 ASN HD21 3.350 . 3.350 2.740 2.608 2.822 . 0 0 "[ .]" 1
145 1 18 ASN H 1 18 ASN HB2 3.350 . 3.350 2.382 2.223 2.490 . 0 0 "[ .]" 1
146 1 19 VAL HA 1 20 THR H 2.500 . 2.500 2.327 2.233 2.442 . 0 0 "[ .]" 1
147 1 19 VAL HB 1 20 THR H 5.500 . 5.500 3.569 3.309 3.818 . 0 0 "[ .]" 1
148 1 19 VAL HB 1 69 VAL H 5.500 . 5.500 3.176 2.941 3.314 . 0 0 "[ .]" 1
149 1 19 VAL MG1 1 20 THR H 3.350 . 3.350 2.230 1.892 2.574 0.008 3 0 "[ .]" 1
150 1 19 VAL MG2 1 20 THR H 4.510 . 4.510 4.166 4.042 4.266 . 0 0 "[ .]" 1
151 1 19 VAL HA 1 19 VAL MG1 3.040 . 3.040 2.169 2.080 2.229 . 0 0 "[ .]" 1
152 1 19 VAL HA 1 19 VAL MG2 3.040 . 3.040 2.596 2.550 2.631 . 0 0 "[ .]" 1
153 1 19 VAL MG1 1 21 TYR QD 3.700 . 3.700 3.023 2.777 3.320 . 0 0 "[ .]" 1
154 1 19 VAL MG1 1 21 TYR QE 2.750 . 2.750 2.038 1.898 2.320 0.002 2 0 "[ .]" 1
155 1 19 VAL MG2 1 21 TYR QE 4.970 . 4.970 2.768 2.595 2.876 . 0 0 "[ .]" 1
156 1 19 VAL MG1 1 21 TYR HH 4.080 . 4.080 3.838 3.636 4.053 . 0 0 "[ .]" 1
157 1 19 VAL MG2 1 21 TYR HH 4.970 . 4.970 4.762 4.567 4.947 . 0 0 "[ .]" 1
158 1 19 VAL MG2 1 71 VAL MG2 3.040 . 3.040 2.236 1.953 2.622 . 0 0 "[ .]" 1
159 1 19 VAL H 1 70 THR HA 4.510 . 4.510 3.750 3.339 3.961 . 0 0 "[ .]" 1
160 1 19 VAL H 1 19 VAL HB 3.700 . 3.700 2.998 2.943 3.024 . 0 0 "[ .]" 1
161 1 19 VAL H 1 19 VAL MG1 4.970 . 4.970 3.971 3.956 3.982 . 0 0 "[ .]" 1
162 1 19 VAL H 1 19 VAL MG2 4.080 . 4.080 2.414 2.358 2.522 . 0 0 "[ .]" 1
163 1 19 VAL H 1 69 VAL QG 4.080 . 4.080 3.205 2.843 3.481 . 0 0 "[ .]" 1
164 1 19 VAL H 1 69 VAL H 4.080 . 4.080 2.873 2.660 3.219 . 0 0 "[ .]" 1
165 1 20 THR HA 1 69 VAL H 5.500 . 5.500 3.969 3.893 4.105 . 0 0 "[ .]" 1
166 1 20 THR HA 1 21 TYR H 4.510 . 4.510 2.284 2.264 2.300 . 0 0 "[ .]" 1
167 1 20 THR HB 1 21 TYR H 5.500 . 5.500 4.353 4.279 4.419 . 0 0 "[ .]" 1
168 1 20 THR HA 1 20 THR MG 3.040 . 3.040 2.191 2.122 2.291 . 0 0 "[ .]" 1
169 1 20 THR MG 1 45 TRP HE1 4.970 . 4.970 3.974 3.644 4.394 . 0 0 "[ .]" 1
170 1 20 THR MG 1 45 TRP HZ2 4.510 . 4.510 4.510 4.504 4.513 0.003 2 0 "[ .]" 1
171 1 20 THR MG 1 21 TYR H 3.350 . 3.350 3.354 3.348 3.359 0.009 3 0 "[ .]" 1
172 1 20 THR H 1 20 THR HB 3.350 . 3.350 2.846 2.660 3.015 . 0 0 "[ .]" 1
173 1 20 THR H 1 20 THR MG 4.970 . 4.970 3.899 3.825 3.961 . 0 0 "[ .]" 1
174 1 21 TYR HA 1 22 SER H 2.500 . 2.500 2.266 2.228 2.325 . 0 0 "[ .]" 1
175 1 21 TYR HB2 1 67 PHE H 5.500 . 5.500 4.235 3.947 4.692 . 0 0 "[ .]" 1
176 1 21 TYR HB3 1 22 SER H 4.510 . 4.510 3.208 2.851 3.907 . 0 0 "[ .]" 1
177 1 21 TYR QD 1 82 ALA MB 2.750 . 2.750 2.141 1.891 2.617 0.009 1 0 "[ .]" 1
178 1 21 TYR QE 1 82 ALA MB 2.500 . 2.500 1.888 1.879 1.898 0.021 3 0 "[ .]" 1
179 1 21 TYR QE 1 82 ALA H 5.500 . 5.500 2.960 2.216 3.858 . 0 0 "[ .]" 1
180 1 21 TYR QE 1 33 LEU MD1 3.350 . 3.350 3.360 3.352 3.381 0.031 2 0 "[ .]" 1
181 1 21 TYR QE 1 33 LEU MD2 3.700 . 3.700 2.580 2.282 2.921 . 0 0 "[ .]" 1
182 1 21 TYR H 1 21 TYR QE 5.500 . 5.500 4.713 4.518 4.863 . 0 0 "[ .]" 1
183 1 21 TYR HH 1 82 ALA MB 4.080 . 4.080 3.658 3.420 3.776 . 0 0 "[ .]" 1
184 1 21 TYR HH 1 33 LEU MD2 3.700 . 3.700 2.461 1.930 2.757 . 0 0 "[ .]" 1
185 1 21 TYR HH 1 33 LEU MD1 4.080 . 4.080 3.743 3.281 3.952 . 0 0 "[ .]" 1
186 1 21 TYR HH 1 69 VAL QG 5.500 . 5.500 4.478 4.341 4.634 . 0 0 "[ .]" 1
187 1 21 TYR H 1 21 TYR HB2 3.700 . 3.700 2.302 2.241 2.350 . 0 0 "[ .]" 1
188 1 21 TYR H 1 21 TYR QD 3.700 . 3.700 2.513 2.232 2.666 . 0 0 "[ .]" 1
189 1 22 SER HA 1 66 THR HA 2.500 . 2.500 2.250 2.056 2.455 . 0 0 "[ .]" 1
190 1 22 SER HA 1 23 VAL H 2.500 . 2.500 2.354 2.299 2.392 . 0 0 "[ .]" 1
191 1 22 SER HA 1 22 SER QB 3.350 . 3.350 2.209 2.187 2.262 . 0 0 "[ .]" 1
192 1 22 SER H 1 22 SER QB 3.350 . 3.350 2.962 2.501 3.130 . 0 0 "[ .]" 1
193 1 23 VAL HA 1 24 SER H 2.500 . 2.500 2.265 2.253 2.283 . 0 0 "[ .]" 1
194 1 23 VAL HB 1 29 TRP HE1 4.080 . 4.080 3.257 3.011 3.516 . 0 0 "[ .]" 1
195 1 23 VAL MG2 1 67 PHE QD 4.970 . 4.970 4.605 4.091 4.970 0.000 4 0 "[ .]" 1
196 1 23 VAL MG2 1 67 PHE QE 5.500 . 5.500 3.031 2.792 3.354 . 0 0 "[ .]" 1
197 1 23 VAL MG2 1 67 PHE HZ 4.510 . 4.510 4.252 3.968 4.509 . 0 0 "[ .]" 1
198 1 23 VAL MG1 1 24 SER H 3.350 . 3.350 2.234 1.898 3.225 0.002 3 0 "[ .]" 1
199 1 23 VAL MG2 1 24 SER H 5.500 . 5.500 3.928 3.824 4.236 . 0 0 "[ .]" 1
200 1 23 VAL HA 1 23 VAL MG1 2.500 . 2.500 2.392 2.310 2.435 . 0 0 "[ .]" 1
201 1 23 VAL HA 1 23 VAL MG2 2.750 . 2.750 2.300 2.262 2.347 . 0 0 "[ .]" 1
202 1 23 VAL MG1 1 29 TRP HD1 2.750 . 2.750 2.763 2.757 2.767 0.017 1 0 "[ .]" 1
203 1 23 VAL MG2 1 29 TRP HD1 5.500 . 5.500 4.598 4.180 4.946 . 0 0 "[ .]" 1
204 1 23 VAL MG1 1 29 TRP HE1 4.080 . 4.080 3.810 3.406 4.086 0.006 3 0 "[ .]" 1
205 1 23 VAL MG2 1 29 TRP HE1 5.500 . 5.500 4.476 4.226 4.804 . 0 0 "[ .]" 1
206 1 23 VAL MG1 1 29 TRP HE3 5.500 . 5.500 4.784 4.209 5.094 . 0 0 "[ .]" 1
207 1 23 VAL MG2 1 29 TRP HE3 4.970 . 4.970 4.135 3.924 4.401 . 0 0 "[ .]" 1
208 1 23 VAL MG2 1 29 TRP HZ2 4.970 . 4.970 4.535 3.958 4.972 0.002 3 0 "[ .]" 1
209 1 23 VAL MG1 1 26 SER QB 5.500 . 5.500 4.689 4.200 5.205 . 0 0 "[ .]" 1
210 1 23 VAL MG1 1 26 SER H 4.970 . 4.970 3.641 3.350 3.877 . 0 0 "[ .]" 1
211 1 23 VAL H 1 66 THR HA 4.970 . 4.970 3.519 2.898 3.778 . 0 0 "[ .]" 1
212 1 23 VAL H 1 23 VAL HB 3.040 . 3.040 2.751 2.660 2.884 . 0 0 "[ .]" 1
213 1 23 VAL H 1 23 VAL MG1 5.500 . 5.500 3.886 3.853 3.945 . 0 0 "[ .]" 1
214 1 23 VAL H 1 23 VAL MG2 3.040 . 3.040 3.027 2.925 3.066 0.026 5 0 "[ .]" 1
215 1 24 SER HA 1 25 GLY H 2.750 . 2.750 2.464 2.238 2.751 0.001 5 0 "[ .]" 1
216 1 24 SER QB 1 25 GLY H 3.700 . 3.700 2.827 2.138 3.624 . 0 0 "[ .]" 1
217 1 24 SER HA 1 24 SER QB 2.750 . 2.750 2.306 2.185 2.496 . 0 0 "[ .]" 1
218 1 24 SER H 1 24 SER QB 4.080 . 4.080 2.617 2.340 2.915 . 0 0 "[ .]" 1
219 1 25 GLY HA3 1 26 SER H 3.700 . 3.700 2.878 2.574 3.189 . 0 0 "[ .]" 1
220 1 25 GLY H 1 26 SER H 4.080 . 4.080 2.891 2.212 3.405 . 0 0 "[ .]" 1
221 1 26 SER HA 1 28 ALA H 5.500 . 5.500 4.107 3.527 4.373 . 0 0 "[ .]" 1
222 1 26 SER HA 1 27 SER H 2.500 . 2.500 2.420 2.224 2.514 0.014 1 0 "[ .]" 1
223 1 26 SER HA 1 26 SER QB 3.700 . 3.700 2.392 2.171 2.547 . 0 0 "[ .]" 1
224 1 26 SER QB 1 29 TRP HD1 4.080 . 4.080 3.809 3.463 4.094 0.014 3 0 "[ .]" 1
225 1 26 SER H 1 26 SER QB 3.350 . 3.350 3.103 2.796 3.355 0.005 5 0 "[ .]" 1
226 1 26 SER H 1 29 TRP HE1 5.500 . 5.500 5.465 5.367 5.505 0.005 3 0 "[ .]" 1
227 1 27 SER HA 1 28 ALA H 4.970 . 4.970 3.504 3.483 3.531 . 0 0 "[ .]" 1
228 1 27 SER QB 1 29 TRP HD1 4.970 . 4.970 4.438 4.345 4.529 . 0 0 "[ .]" 1
229 1 27 SER HA 1 27 SER QB 3.040 . 3.040 2.320 2.199 2.473 . 0 0 "[ .]" 1
230 1 27 SER H 1 28 ALA H 3.040 . 3.040 2.239 2.058 2.906 . 0 0 "[ .]" 1
231 1 28 ALA HA 1 60 PRO HG3 5.500 . 5.500 3.058 2.618 3.751 . 0 0 "[ .]" 1
232 1 28 ALA HA 1 29 TRP H 2.500 . 2.500 2.408 2.402 2.414 . 0 0 "[ .]" 1
233 1 28 ALA MB 1 29 TRP H 3.700 . 3.700 3.689 3.687 3.691 . 0 0 "[ .]" 1
234 1 28 ALA H 1 28 ALA MB 3.040 . 3.040 2.205 2.129 2.254 . 0 0 "[ .]" 1
235 1 28 ALA H 1 29 TRP HD1 5.500 . 5.500 4.042 3.997 4.085 . 0 0 "[ .]" 1
236 1 28 ALA H 1 29 TRP H 4.970 . 4.970 3.911 3.903 3.920 . 0 0 "[ .]" 1
237 1 29 TRP HA 1 30 THR H 2.500 . 2.500 2.398 2.334 2.512 0.012 3 0 "[ .]" 1
238 1 29 TRP HB2 1 30 THR H 3.700 . 3.700 2.580 2.281 2.765 . 0 0 "[ .]" 1
239 1 29 TRP HA 1 29 TRP HB2 3.040 . 3.040 2.578 2.563 2.597 . 0 0 "[ .]" 1
240 1 29 TRP HB3 1 29 TRP HD1 2.750 . 2.750 2.555 2.550 2.564 . 0 0 "[ .]" 1
241 1 29 TRP HE1 1 65 ASN HA 2.750 . 2.750 2.507 2.382 2.594 . 0 0 "[ .]" 1
242 1 29 TRP HE1 1 65 ASN HB3 4.510 . 4.510 2.252 2.012 2.829 . 0 0 "[ .]" 1
243 1 29 TRP HE1 1 60 PRO HB3 4.970 . 4.970 4.288 4.039 4.579 . 0 0 "[ .]" 1
244 1 29 TRP HE1 1 60 PRO HG3 4.970 . 4.970 4.661 3.969 4.975 0.005 3 0 "[ .]" 1
245 1 29 TRP HE3 1 30 THR HA 2.750 . 2.750 2.684 2.403 2.758 0.008 5 0 "[ .]" 1
246 1 29 TRP HE3 1 30 THR H 5.500 . 5.500 3.283 3.041 3.372 . 0 0 "[ .]" 1
247 1 29 TRP HE3 1 31 VAL QG 2.500 . 2.500 2.155 2.130 2.191 . 0 0 "[ .]" 1
248 1 29 TRP HE3 1 31 VAL H 3.700 . 3.700 1.985 1.890 2.175 0.010 4 0 "[ .]" 1
249 1 29 TRP HE3 1 58 VAL MG1 4.510 . 4.510 4.512 4.489 4.524 0.014 2 0 "[ .]" 1
250 1 29 TRP HB2 1 29 TRP HE3 3.350 . 3.350 2.853 2.818 2.873 . 0 0 "[ .]" 1
251 1 29 TRP HH2 1 47 ALA MB 2.750 . 2.750 2.623 2.438 2.752 0.002 5 0 "[ .]" 1
252 1 29 TRP HH2 1 58 VAL MG1 3.040 . 3.040 2.704 1.938 3.026 . 0 0 "[ .]" 1
253 1 29 TRP H 1 60 PRO HG3 4.080 . 4.080 2.431 2.235 2.835 . 0 0 "[ .]" 1
254 1 29 TRP H 1 29 TRP HD1 3.700 . 3.700 3.385 3.274 3.439 . 0 0 "[ .]" 1
255 1 29 TRP HZ2 1 47 ALA MB 5.500 . 5.500 3.882 3.527 4.558 . 0 0 "[ .]" 1
256 1 29 TRP HZ2 1 65 ASN HA 2.500 . 2.500 2.408 2.079 2.513 0.013 2 0 "[ .]" 1
257 1 29 TRP HZ3 1 47 ALA MB 5.500 . 5.500 4.123 3.864 4.397 . 0 0 "[ .]" 1
258 1 29 TRP HZ3 1 59 THR HA 4.970 . 4.970 3.239 2.734 3.477 . 0 0 "[ .]" 1
259 1 29 TRP HZ3 1 31 VAL HB 3.700 . 3.700 2.301 1.907 3.137 . 0 0 "[ .]" 1
260 1 29 TRP HZ3 1 31 VAL QG 4.080 . 4.080 2.423 2.136 2.951 . 0 0 "[ .]" 1
261 1 29 TRP HZ3 1 31 VAL H 4.970 . 4.970 2.196 2.107 2.304 . 0 0 "[ .]" 1
262 1 29 TRP HZ3 1 58 VAL MG1 2.500 . 2.500 2.384 2.301 2.499 . 0 0 "[ .]" 1
263 1 30 THR HA 1 31 VAL QG 5.500 . 5.500 3.940 3.608 4.082 . 0 0 "[ .]" 1
264 1 30 THR HA 1 31 VAL H 2.500 . 2.500 2.258 2.233 2.271 . 0 0 "[ .]" 1
265 1 30 THR HB 1 85 ALA H 4.970 . 4.970 3.419 2.882 3.962 . 0 0 "[ .]" 1
266 1 30 THR MG 1 85 ALA H 5.500 . 5.500 4.617 4.391 5.175 . 0 0 "[ .]" 1
267 1 30 THR MG 1 31 VAL H 3.350 . 3.350 3.298 3.226 3.364 0.014 3 0 "[ .]" 1
268 1 30 THR H 1 85 ALA MB 5.500 . 5.500 3.502 1.966 4.955 . 0 0 "[ .]" 1
269 1 30 THR H 1 85 ALA H 4.080 . 4.080 2.445 1.892 3.608 0.008 1 0 "[ .]" 1
270 1 30 THR H 1 30 THR HB 3.700 . 3.700 2.750 2.568 2.969 . 0 0 "[ .]" 1
271 1 30 THR H 1 31 VAL QG 5.500 . 5.500 4.073 3.566 4.308 . 0 0 "[ .]" 1
272 1 31 VAL HA 1 32 ASN H 2.500 . 2.500 2.228 2.186 2.303 . 0 0 "[ .]" 1
273 1 31 VAL HB 1 58 VAL MG1 4.080 . 4.080 2.552 2.281 3.272 . 0 0 "[ .]" 1
274 1 31 VAL HB 1 58 VAL MG2 4.080 . 4.080 3.695 3.072 4.068 . 0 0 "[ .]" 1
275 1 31 VAL HB 1 58 VAL H 5.500 . 5.500 4.471 4.029 5.065 . 0 0 "[ .]" 1
276 1 31 VAL QG 1 82 ALA HA 4.510 . 4.510 3.230 2.937 3.444 . 0 0 "[ .]" 1
277 1 31 VAL QG 1 84 CYS QB 3.700 . 3.700 3.274 1.896 3.715 0.015 2 0 "[ .]" 1
278 1 31 VAL QG 1 32 ASN H 3.040 . 3.040 2.605 1.924 3.045 0.005 1 0 "[ .]" 1
279 1 31 VAL QG 1 83 THR H 4.080 . 4.080 2.704 2.080 3.126 . 0 0 "[ .]" 1
280 1 31 VAL QG 1 58 VAL H 5.500 . 5.500 4.417 4.031 4.903 . 0 0 "[ .]" 1
281 1 31 VAL H 1 31 VAL HB 3.040 . 3.040 2.448 2.337 2.642 . 0 0 "[ .]" 1
282 1 31 VAL H 1 31 VAL QG 3.700 . 3.700 2.451 2.061 2.603 . 0 0 "[ .]" 1
283 1 31 VAL H 1 58 VAL HB 4.510 . 4.510 3.546 3.086 3.950 . 0 0 "[ .]" 1
284 1 31 VAL H 1 58 VAL H 5.500 . 5.500 4.233 3.933 4.598 . 0 0 "[ .]" 1
285 1 32 ASN HA 1 33 LEU H 2.500 . 2.500 2.223 2.209 2.254 . 0 0 "[ .]" 1
286 1 32 ASN HA 1 32 ASN QB 2.750 . 2.750 2.419 2.317 2.547 . 0 0 "[ .]" 1
287 1 32 ASN HA 1 57 THR HA 3.040 . 3.040 2.410 1.960 3.015 . 0 0 "[ .]" 1
288 1 32 ASN HA 1 58 VAL H 5.500 . 5.500 3.193 2.957 3.487 . 0 0 "[ .]" 1
289 1 32 ASN QB 1 33 LEU H 4.510 . 4.510 3.454 3.157 3.895 . 0 0 "[ .]" 1
290 1 32 ASN QB 1 83 THR H 5.500 . 5.500 3.436 3.018 4.033 . 0 0 "[ .]" 1
291 1 32 ASN QB 1 32 ASN QD 3.700 . 3.700 2.286 2.185 2.405 . 0 0 "[ .]" 1
292 1 32 ASN H 1 32 ASN QB 3.350 . 3.350 2.407 2.141 2.595 . 0 0 "[ .]" 1
293 1 32 ASN H 1 83 THR H 4.510 . 4.510 2.295 1.929 2.540 . 0 0 "[ .]" 1
294 1 33 LEU HA 1 34 ALA H 2.500 . 2.500 2.242 2.194 2.362 . 0 0 "[ .]" 1
295 1 33 LEU HA 1 82 ALA HA 3.040 . 3.040 2.635 2.120 2.900 . 0 0 "[ .]" 1
296 1 33 LEU HA 1 83 THR H 5.500 . 5.500 4.362 4.039 4.517 . 0 0 "[ .]" 1
297 1 33 LEU HB3 1 34 ALA H 4.080 . 4.080 3.138 2.760 3.387 . 0 0 "[ .]" 1
298 1 33 LEU MD2 1 34 ALA H 4.970 . 4.970 3.147 2.498 3.366 . 0 0 "[ .]" 1
299 1 33 LEU MD2 1 82 ALA HA 4.080 . 4.080 2.261 1.885 3.286 0.015 2 0 "[ .]" 1
300 1 33 LEU MD1 1 82 ALA HA 5.500 . 5.500 4.816 4.572 5.139 . 0 0 "[ .]" 1
301 1 33 LEU MD2 1 82 ALA MB 2.750 . 2.750 1.910 1.892 1.970 0.008 3 0 "[ .]" 1
302 1 33 LEU MD1 1 82 ALA MB 4.510 . 4.510 3.763 3.487 3.911 . 0 0 "[ .]" 1
303 1 33 LEU HA 1 33 LEU MD2 2.750 . 2.750 1.983 1.880 2.336 0.020 2 0 "[ .]" 1
304 1 33 LEU HA 1 33 LEU MD1 4.080 . 4.080 3.739 3.695 3.782 . 0 0 "[ .]" 1
305 1 33 LEU HB3 1 33 LEU MD1 3.350 . 3.350 2.366 2.201 2.542 . 0 0 "[ .]" 1
306 1 33 LEU HB3 1 33 LEU MD2 3.700 . 3.700 2.302 2.120 2.423 . 0 0 "[ .]" 1
307 1 33 LEU H 1 56 ARG H 3.700 . 3.700 3.691 3.616 3.741 0.041 1 0 "[ .]" 1
308 1 34 ALA HA 1 35 LEU H 2.500 . 2.500 2.365 2.291 2.427 . 0 0 "[ .]" 1
309 1 34 ALA HA 1 55 THR HA 3.040 . 3.040 2.733 2.497 2.939 . 0 0 "[ .]" 1
310 1 34 ALA HA 1 55 THR MG 3.350 . 3.350 3.220 3.114 3.343 . 0 0 "[ .]" 1
311 1 34 ALA MB 1 81 ALA H 3.350 . 3.350 3.057 2.626 3.358 0.008 3 0 "[ .]" 1
312 1 34 ALA MB 1 35 LEU H 3.700 . 3.700 3.657 3.595 3.695 . 0 0 "[ .]" 1
313 1 34 ALA H 1 34 ALA MB 2.500 . 2.500 2.434 2.316 2.513 0.013 3 0 "[ .]" 1
314 1 34 ALA H 1 81 ALA MB 5.500 . 5.500 3.368 3.133 3.775 . 0 0 "[ .]" 1
315 1 34 ALA H 1 81 ALA H 4.970 . 4.970 2.487 2.038 2.639 . 0 0 "[ .]" 1
316 1 34 ALA H 1 82 ALA HA 5.500 . 5.500 4.075 3.380 4.429 . 0 0 "[ .]" 1
317 1 34 ALA H 1 80 PRO QB 5.500 . 5.500 2.863 2.534 3.239 . 0 0 "[ .]" 1
318 1 34 ALA H 1 55 THR MG 5.500 . 5.500 5.470 5.352 5.510 0.010 1 0 "[ .]" 1
319 1 35 LEU HA 1 36 ASN H 2.500 . 2.500 2.346 2.203 2.523 0.023 5 0 "[ .]" 1
320 1 35 LEU QD 1 36 ASN H 5.500 . 5.500 2.603 2.504 2.707 . 0 0 "[ .]" 1
321 1 35 LEU QD 1 41 ILE H 5.500 . 5.500 4.312 3.484 4.909 . 0 0 "[ .]" 1
322 1 35 LEU QD 1 36 ASN QB 4.510 . 4.510 4.346 4.083 4.516 0.006 3 0 "[ .]" 1
323 1 35 LEU QD 1 79 THR HB 4.970 . 4.970 4.987 4.977 5.008 0.038 2 0 "[ .]" 1
324 1 35 LEU H 1 35 LEU QD 3.700 . 3.700 2.534 2.026 3.253 . 0 0 "[ .]" 1
325 1 35 LEU H 1 55 THR HA 4.080 . 4.080 3.774 3.618 3.930 . 0 0 "[ .]" 1
326 1 36 ASN HA 1 37 GLY H 2.500 . 2.500 2.383 2.192 2.579 0.079 5 0 "[ .]" 1
327 1 36 ASN HA 1 36 ASN QB 4.080 . 4.080 2.309 2.261 2.444 . 0 0 "[ .]" 1
328 1 36 ASN QB 1 37 GLY H 4.080 . 4.080 3.278 2.453 3.906 . 0 0 "[ .]" 1
329 1 36 ASN QD 1 81 ALA H 4.970 . 4.970 4.515 4.220 4.809 . 0 0 "[ .]" 1
330 1 36 ASN QB 1 36 ASN QD 2.500 . 2.500 2.227 2.185 2.363 . 0 0 "[ .]" 1
331 1 36 ASN QD 1 78 THR HB 3.350 . 3.350 2.454 2.110 3.351 0.001 4 0 "[ .]" 1
332 1 36 ASN QD 1 78 THR MG 3.040 . 3.040 2.907 2.330 3.056 0.016 1 0 "[ .]" 1
333 1 36 ASN QD 1 39 GLN QE 5.500 . 5.500 3.665 2.649 5.006 . 0 0 "[ .]" 1
334 1 36 ASN H 1 36 ASN QB 3.350 . 3.350 2.614 2.299 2.749 . 0 0 "[ .]" 1
335 1 36 ASN H 1 36 ASN QD 4.080 . 4.080 2.719 2.320 3.291 . 0 0 "[ .]" 1
336 1 37 GLY QA 1 38 SER H 2.750 . 2.750 2.326 2.211 2.724 . 0 0 "[ .]" 1
337 1 37 GLY H 1 37 GLY QA 2.500 . 2.500 2.286 2.235 2.432 . 0 0 "[ .]" 1
338 1 37 GLY H 1 38 SER H 5.500 . 5.500 4.304 3.060 4.694 . 0 0 "[ .]" 1
339 1 38 SER H 1 39 GLN H 3.700 . 3.700 2.952 2.462 3.187 . 0 0 "[ .]" 1
340 1 38 SER H 1 38 SER QB 3.350 . 3.350 2.711 2.390 2.972 . 0 0 "[ .]" 1
341 1 39 GLN HA 1 74 ASN QD 3.700 . 3.700 2.721 1.950 3.338 . 0 0 "[ .]" 1
342 1 39 GLN HA 1 40 THR H 2.500 . 2.500 2.367 2.250 2.491 . 0 0 "[ .]" 1
343 1 39 GLN HB3 1 40 THR H 3.350 . 3.350 2.713 2.360 3.068 . 0 0 "[ .]" 1
344 1 39 GLN QE 1 73 LYS HA 4.970 . 4.970 3.258 2.543 4.586 . 0 0 "[ .]" 1
345 1 39 GLN QE 1 39 GLN QG 3.040 . 3.040 2.243 2.181 2.392 . 0 0 "[ .]" 1
346 1 39 GLN QE 1 78 THR H 5.500 . 5.500 4.135 3.842 4.403 . 0 0 "[ .]" 1
347 1 39 GLN HA 1 39 GLN QG 4.510 . 4.510 2.281 2.194 2.329 . 0 0 "[ .]" 1
348 1 39 GLN H 1 39 GLN HB2 2.750 . 2.750 2.426 2.270 2.669 . 0 0 "[ .]" 1
349 1 39 GLN H 1 39 GLN QG 2.750 . 2.750 2.402 2.206 2.639 . 0 0 "[ .]" 1
350 1 40 THR HA 1 41 ILE H 2.750 . 2.750 2.404 2.279 2.607 . 0 0 "[ .]" 1
351 1 40 THR HB 1 41 ILE H 3.040 . 3.040 2.717 2.331 3.003 . 0 0 "[ .]" 1
352 1 40 THR HA 1 40 THR HB 3.040 . 3.040 2.389 2.367 2.412 . 0 0 "[ .]" 1
353 1 40 THR MG 1 41 ILE H 4.510 . 4.510 3.994 3.832 4.097 . 0 0 "[ .]" 1
354 1 40 THR MG 1 74 ASN QD 2.500 . 2.500 2.474 2.450 2.489 . 0 0 "[ .]" 1
355 1 40 THR HA 1 40 THR MG 2.500 . 2.500 2.444 2.394 2.497 . 0 0 "[ .]" 1
356 1 40 THR H 1 72 MET HB3 4.970 . 4.970 4.442 3.777 4.916 . 0 0 "[ .]" 1
357 1 40 THR H 1 72 MET H 4.080 . 4.080 2.654 2.393 2.847 . 0 0 "[ .]" 1
358 1 40 THR H 1 74 ASN QD 4.080 . 4.080 3.304 2.904 3.798 . 0 0 "[ .]" 1
359 1 40 THR H 1 40 THR MG 4.080 . 4.080 2.751 2.422 2.862 . 0 0 "[ .]" 1
360 1 41 ILE HA 1 42 GLN H 2.750 . 2.750 2.287 2.227 2.338 . 0 0 "[ .]" 1
361 1 41 ILE HA 1 71 VAL MG2 4.970 . 4.970 3.703 3.508 3.908 . 0 0 "[ .]" 1
362 1 41 ILE HA 1 41 ILE MD 3.700 . 3.700 2.268 1.897 3.727 0.027 3 0 "[ .]" 1
363 1 41 ILE MD 1 41 ILE MG 2.500 . 2.500 1.983 1.888 2.078 0.012 3 0 "[ .]" 1
364 1 41 ILE MD 1 42 GLN H 5.500 . 5.500 3.666 3.019 4.569 . 0 0 "[ .]" 1
365 1 41 ILE MD 1 71 VAL HA 4.510 . 4.510 2.775 2.114 4.174 . 0 0 "[ .]" 1
366 1 41 ILE MG 1 43 ALA H 2.500 . 2.500 2.176 1.891 2.405 0.009 3 0 "[ .]" 1
367 1 41 ILE HA 1 41 ILE MG 3.350 . 3.350 2.288 2.155 2.409 . 0 0 "[ .]" 1
368 1 41 ILE MG 1 42 GLN H 3.350 . 3.350 2.163 1.960 2.395 . 0 0 "[ .]" 1
369 1 41 ILE MG 1 71 VAL HA 5.500 . 5.500 3.985 3.774 4.391 . 0 0 "[ .]" 1
370 1 41 ILE H 1 41 ILE HB 2.750 . 2.750 2.534 2.427 2.626 . 0 0 "[ .]" 1
371 1 41 ILE H 1 41 ILE MD 5.500 . 5.500 3.518 3.110 4.193 . 0 0 "[ .]" 1
372 1 41 ILE H 1 41 ILE QG 4.080 . 4.080 2.494 2.174 2.968 . 0 0 "[ .]" 1
373 1 41 ILE H 1 41 ILE MG 5.500 . 5.500 3.798 3.763 3.822 . 0 0 "[ .]" 1
374 1 42 GLN HA 1 43 ALA H 4.510 . 4.510 3.368 3.177 3.531 . 0 0 "[ .]" 1
375 1 42 GLN QB 1 43 ALA H 4.080 . 4.080 3.174 2.816 3.559 . 0 0 "[ .]" 1
376 1 42 GLN QE 1 42 GLN QG 3.350 . 3.350 2.337 2.191 2.490 . 0 0 "[ .]" 1
377 1 42 GLN H 1 43 ALA H 2.750 . 2.750 1.983 1.907 2.202 . 0 0 "[ .]" 1
378 1 42 GLN H 1 42 GLN QB 3.040 . 3.040 2.477 2.318 2.625 . 0 0 "[ .]" 1
379 1 42 GLN H 1 70 THR HB 5.500 . 5.500 2.520 2.350 2.767 . 0 0 "[ .]" 1
380 1 42 GLN H 1 70 THR MG 5.500 . 5.500 3.260 2.668 3.797 . 0 0 "[ .]" 1
381 1 42 GLN H 1 71 VAL HA 4.970 . 4.970 4.110 3.818 4.339 . 0 0 "[ .]" 1
382 1 43 ALA MB 1 44 SER H 2.750 . 2.750 2.606 2.470 2.753 0.003 3 0 "[ .]" 1
383 1 43 ALA MB 1 70 THR H 5.500 . 5.500 3.464 3.213 3.674 . 0 0 "[ .]" 1
384 1 43 ALA MB 1 45 TRP HZ3 2.750 . 2.750 2.287 1.996 2.724 . 0 0 "[ .]" 1
385 1 43 ALA H 1 43 ALA MB 3.350 . 3.350 2.657 2.572 2.786 . 0 0 "[ .]" 1
386 1 43 ALA H 1 70 THR HA 5.500 . 5.500 4.879 4.509 5.296 . 0 0 "[ .]" 1
387 1 43 ALA H 1 70 THR HB 3.040 . 3.040 2.262 1.988 2.691 . 0 0 "[ .]" 1
388 1 43 ALA H 1 70 THR MG 5.500 . 5.500 3.783 3.543 4.159 . 0 0 "[ .]" 1
389 1 43 ALA H 1 70 THR H 4.510 . 4.510 2.822 2.515 3.168 . 0 0 "[ .]" 1
390 1 44 SER HA 1 44 SER QB 2.750 . 2.750 2.190 2.179 2.217 . 0 0 "[ .]" 1
391 1 44 SER HA 1 70 THR H 4.970 . 4.970 4.013 3.818 4.222 . 0 0 "[ .]" 1
392 1 44 SER HA 1 69 VAL HA 3.040 . 3.040 2.534 2.413 2.619 . 0 0 "[ .]" 1
393 1 44 SER HA 1 69 VAL QG 3.350 . 3.350 3.122 2.894 3.266 . 0 0 "[ .]" 1
394 1 44 SER HA 1 45 TRP H 2.500 . 2.500 2.220 2.198 2.249 . 0 0 "[ .]" 1
395 1 44 SER HA 1 45 TRP HZ3 5.500 . 5.500 4.190 4.005 4.444 . 0 0 "[ .]" 1
396 1 44 SER QB 1 68 GLY H 5.500 . 5.500 5.174 5.031 5.489 . 0 0 "[ .]" 1
397 1 44 SER QB 1 49 VAL MG2 2.750 . 2.750 2.209 1.907 2.576 . 0 0 "[ .]" 1
398 1 44 SER QB 1 49 VAL MG1 5.500 . 5.500 4.261 3.365 4.585 . 0 0 "[ .]" 1
399 1 44 SER QB 1 45 TRP H 3.350 . 3.350 3.183 3.006 3.351 0.001 1 0 "[ .]" 1
400 1 44 SER H 1 44 SER QB 4.510 . 4.510 3.255 3.098 3.406 . 0 0 "[ .]" 1
401 1 44 SER H 1 45 TRP HE3 4.970 . 4.970 3.307 3.202 3.603 . 0 0 "[ .]" 1
402 1 45 TRP HA 1 47 ALA H 4.510 . 4.510 3.277 3.105 3.608 . 0 0 "[ .]" 1
403 1 45 TRP HA 1 46 ASN H 2.500 . 2.500 2.292 2.236 2.350 . 0 0 "[ .]" 1
404 1 45 TRP HB2 1 46 ASN H 3.700 . 3.700 2.913 2.717 3.111 . 0 0 "[ .]" 1
405 1 45 TRP HA 1 45 TRP HB2 3.040 . 3.040 2.548 2.512 2.572 . 0 0 "[ .]" 1
406 1 45 TRP HB3 1 68 GLY H 4.970 . 4.970 4.948 4.861 4.982 0.012 3 0 "[ .]" 1
407 1 45 TRP HE1 1 68 GLY HA3 3.700 . 3.700 2.374 1.973 3.009 . 0 0 "[ .]" 1
408 1 45 TRP HE1 1 68 GLY H 5.500 . 5.500 2.606 2.425 2.825 . 0 0 "[ .]" 1
409 1 45 TRP HH2 1 70 THR HA 5.500 . 5.500 4.231 3.331 5.317 . 0 0 "[ .]" 1
410 1 45 TRP HH2 1 70 THR HG1 4.970 . 4.970 3.287 2.836 4.713 . 0 0 "[ .]" 1
411 1 45 TRP H 1 68 GLY H 4.080 . 4.080 2.858 2.615 3.102 . 0 0 "[ .]" 1
412 1 45 TRP H 1 49 VAL MG2 5.500 . 5.500 4.946 4.505 5.260 . 0 0 "[ .]" 1
413 1 45 TRP H 1 69 VAL HA 5.500 . 5.500 4.029 3.722 4.326 . 0 0 "[ .]" 1
414 1 45 TRP H 1 69 VAL QG 5.500 . 5.500 3.879 3.682 4.100 . 0 0 "[ .]" 1
415 1 45 TRP HZ2 1 68 GLY HA3 3.700 . 3.700 2.137 2.003 2.324 . 0 0 "[ .]" 1
416 1 45 TRP HZ3 1 70 THR HG1 5.500 . 5.500 2.934 2.255 3.893 . 0 0 "[ .]" 1
417 1 45 TRP HZ3 1 70 THR H 5.500 . 5.500 4.447 3.914 5.035 . 0 0 "[ .]" 1
418 1 46 ASN HA 1 47 ALA H 3.700 . 3.700 3.127 2.927 3.237 . 0 0 "[ .]" 1
419 1 46 ASN QD 1 67 PHE HA 4.970 . 4.970 3.742 2.898 4.342 . 0 0 "[ .]" 1
420 1 46 ASN QB 1 46 ASN QD 3.040 . 3.040 2.282 2.182 2.509 . 0 0 "[ .]" 1
421 1 46 ASN H 1 47 ALA H 3.350 . 3.350 2.558 2.541 2.587 . 0 0 "[ .]" 1
422 1 46 ASN H 1 46 ASN HA 2.500 . 2.500 2.354 2.351 2.356 . 0 0 "[ .]" 1
423 1 46 ASN H 1 46 ASN QB 5.500 . 5.500 3.076 3.040 3.108 . 0 0 "[ .]" 1
424 1 47 ALA HA 1 48 ASN H 2.750 . 2.750 2.377 2.309 2.500 . 0 0 "[ .]" 1
425 1 47 ALA HA 1 61 ASN H 4.080 . 4.080 3.702 3.352 4.082 0.002 4 0 "[ .]" 1
426 1 47 ALA MB 1 67 PHE HA 5.500 . 5.500 3.987 3.839 4.193 . 0 0 "[ .]" 1
427 1 47 ALA MB 1 67 PHE HB3 2.750 . 2.750 2.165 1.901 2.564 . 0 0 "[ .]" 1
428 1 47 ALA MB 1 67 PHE QD 4.510 . 4.510 2.366 2.136 2.527 . 0 0 "[ .]" 1
429 1 47 ALA MB 1 68 GLY H 4.970 . 4.970 4.456 4.175 4.643 . 0 0 "[ .]" 1
430 1 47 ALA MB 1 48 ASN H 2.750 . 2.750 2.616 2.323 2.748 . 0 0 "[ .]" 1
431 1 47 ALA MB 1 61 ASN H 5.500 . 5.500 4.641 4.373 5.070 . 0 0 "[ .]" 1
432 1 47 ALA MB 1 60 PRO HA 4.080 . 4.080 3.297 2.891 4.084 0.004 3 0 "[ .]" 1
433 1 47 ALA MB 1 58 VAL MG1 2.500 . 2.500 2.184 1.998 2.500 . 0 0 "[ .]" 1
434 1 47 ALA H 1 47 ALA HA 3.040 . 3.040 2.820 2.808 2.836 . 0 0 "[ .]" 1
435 1 47 ALA H 1 47 ALA MB 3.350 . 3.350 2.933 2.917 2.941 . 0 0 "[ .]" 1
436 1 47 ALA H 1 67 PHE QD 4.970 . 4.970 4.948 4.926 4.965 . 0 0 "[ .]" 1
437 1 48 ASN HA 1 49 VAL MG2 4.970 . 4.970 3.590 3.452 3.812 . 0 0 "[ .]" 1
438 1 48 ASN HA 1 49 VAL H 2.500 . 2.500 2.284 2.217 2.459 . 0 0 "[ .]" 1
439 1 48 ASN HB2 1 59 THR H 4.510 . 4.510 3.508 3.249 3.809 . 0 0 "[ .]" 1
440 1 48 ASN HB3 1 49 VAL H 5.500 . 5.500 3.207 2.521 3.935 . 0 0 "[ .]" 1
441 1 48 ASN HB2 1 48 ASN QD 3.040 . 3.040 2.307 2.223 2.480 . 0 0 "[ .]" 1
442 1 48 ASN QD 1 61 ASN HA 4.080 . 4.080 3.746 3.308 3.894 . 0 0 "[ .]" 1
443 1 48 ASN QD 1 61 ASN HB3 5.500 . 5.500 2.093 1.937 2.463 . 0 0 "[ .]" 1
444 1 48 ASN H 1 48 ASN HB2 3.700 . 3.700 2.665 2.341 2.860 . 0 0 "[ .]" 1
445 1 48 ASN H 1 59 THR H 4.080 . 4.080 3.009 2.715 3.288 . 0 0 "[ .]" 1
446 1 48 ASN H 1 58 VAL MG1 5.500 . 5.500 3.287 3.076 3.555 . 0 0 "[ .]" 1
447 1 49 VAL HA 1 50 THR H 2.500 . 2.500 2.200 2.191 2.226 . 0 0 "[ .]" 1
448 1 49 VAL HA 1 58 VAL HA 3.700 . 3.700 2.505 2.277 2.874 . 0 0 "[ .]" 1
449 1 49 VAL HA 1 58 VAL MG1 4.970 . 4.970 3.550 3.324 3.820 . 0 0 "[ .]" 1
450 1 49 VAL HA 1 58 VAL MG2 3.700 . 3.700 2.316 2.038 2.558 . 0 0 "[ .]" 1
451 1 49 VAL HB 1 56 ARG HE 5.500 . 5.500 5.205 4.684 5.502 0.002 1 0 "[ .]" 1
452 1 49 VAL HA 1 49 VAL MG1 2.750 . 2.750 2.301 2.256 2.353 . 0 0 "[ .]" 1
453 1 49 VAL HA 1 49 VAL MG2 3.040 . 3.040 2.342 2.248 2.432 . 0 0 "[ .]" 1
454 1 49 VAL MG1 1 58 VAL MG1 4.970 . 4.970 3.993 3.837 4.154 . 0 0 "[ .]" 1
455 1 49 VAL MG1 1 58 VAL MG2 3.040 . 3.040 2.148 1.967 2.464 . 0 0 "[ .]" 1
456 1 49 VAL MG2 1 58 VAL MG1 2.500 . 2.500 2.502 2.499 2.507 0.007 1 0 "[ .]" 1
457 1 49 VAL MG1 1 56 ARG QD 3.700 . 3.700 2.849 2.017 3.705 0.005 3 0 "[ .]" 1
458 1 49 VAL MG1 1 56 ARG HE 4.080 . 4.080 3.079 2.291 3.566 . 0 0 "[ .]" 1
459 1 49 VAL MG1 1 56 ARG QG 4.970 . 4.970 3.420 2.433 3.938 . 0 0 "[ .]" 1
460 1 49 VAL MG1 1 50 THR H 3.350 . 3.350 2.702 2.213 3.055 . 0 0 "[ .]" 1
461 1 49 VAL H 1 49 VAL HB 3.350 . 3.350 2.658 2.538 2.764 . 0 0 "[ .]" 1
462 1 49 VAL H 1 49 VAL MG2 3.700 . 3.700 2.663 2.318 3.066 . 0 0 "[ .]" 1
463 1 50 THR HA 1 51 GLY H 2.750 . 2.750 2.595 2.408 2.731 . 0 0 "[ .]" 1
464 1 50 THR HB 1 51 GLY H 3.040 . 3.040 2.237 1.904 2.612 . 0 0 "[ .]" 1
465 1 50 THR HA 1 50 THR HB 3.040 . 3.040 2.512 2.377 2.652 . 0 0 "[ .]" 1
466 1 50 THR MG 1 51 GLY H 4.510 . 4.510 3.598 3.241 3.900 . 0 0 "[ .]" 1
467 1 50 THR HA 1 50 THR MG 2.500 . 2.500 2.242 2.029 2.446 . 0 0 "[ .]" 1
468 1 50 THR H 1 58 VAL HA 5.500 . 5.500 3.514 2.981 3.963 . 0 0 "[ .]" 1
469 1 50 THR H 1 58 VAL MG2 4.970 . 4.970 3.635 3.395 3.860 . 0 0 "[ .]" 1
470 1 51 GLY QA 1 52 SER H 3.700 . 3.700 2.228 2.168 2.316 . 0 0 "[ .]" 1
471 1 51 GLY H 1 51 GLY QA 2.750 . 2.750 2.373 2.301 2.499 . 0 0 "[ .]" 1
472 1 52 SER HA 1 53 GLY H 2.750 . 2.750 2.622 2.457 2.704 . 0 0 "[ .]" 1
473 1 52 SER HA 1 52 SER QB 2.750 . 2.750 2.273 2.168 2.488 . 0 0 "[ .]" 1
474 1 52 SER H 1 53 GLY H 5.500 . 5.500 4.449 4.372 4.574 . 0 0 "[ .]" 1
475 1 53 GLY QA 1 54 SER H 3.040 . 3.040 2.406 2.190 2.725 . 0 0 "[ .]" 1
476 1 53 GLY H 1 53 GLY QA 2.500 . 2.500 2.282 2.251 2.349 . 0 0 "[ .]" 1
477 1 54 SER HA 1 55 THR H 4.970 . 4.970 3.296 2.966 3.570 . 0 0 "[ .]" 1
478 1 54 SER HA 1 54 SER QB 3.350 . 3.350 2.510 2.456 2.541 . 0 0 "[ .]" 1
479 1 54 SER H 1 55 THR H 3.350 . 3.350 2.801 2.308 3.287 . 0 0 "[ .]" 1
480 1 55 THR HA 1 56 ARG H 2.500 . 2.500 2.453 2.239 2.517 0.017 2 0 "[ .]" 1
481 1 55 THR HA 1 55 THR HB 2.750 . 2.750 2.645 2.593 2.672 . 0 0 "[ .]" 1
482 1 55 THR HA 1 55 THR MG 2.750 . 2.750 2.088 1.993 2.172 . 0 0 "[ .]" 1
483 1 55 THR HB 1 56 ARG H 3.350 . 3.350 2.518 2.341 3.132 . 0 0 "[ .]" 1
484 1 55 THR H 1 55 THR MG 4.510 . 4.510 3.380 3.059 3.554 . 0 0 "[ .]" 1
485 1 56 ARG HA 1 57 THR H 2.750 . 2.750 2.334 2.234 2.429 . 0 0 "[ .]" 1
486 1 56 ARG HB3 1 57 THR H 4.080 . 4.080 3.281 2.610 4.124 0.044 4 0 "[ .]" 1
487 1 56 ARG HA 1 56 ARG QD 4.510 . 4.510 2.706 1.900 3.625 . 3 0 "[ .]" 1
488 1 56 ARG QD 1 57 THR H 5.500 . 5.500 3.978 2.615 5.262 . 0 0 "[ .]" 1
489 1 57 THR HA 1 58 VAL MG2 4.080 . 4.080 3.565 3.321 3.709 . 0 0 "[ .]" 1
490 1 57 THR HA 1 58 VAL H 2.500 . 2.500 2.430 2.308 2.488 . 0 0 "[ .]" 1
491 1 57 THR HA 1 57 THR MG 2.500 . 2.500 2.209 2.079 2.453 . 0 0 "[ .]" 1
492 1 57 THR MG 1 58 VAL H 3.350 . 3.350 1.973 1.896 2.199 0.004 1 0 "[ .]" 1
493 1 57 THR H 1 57 THR HB 3.040 . 3.040 2.765 2.591 2.924 . 0 0 "[ .]" 1
494 1 57 THR H 1 57 THR MG 4.970 . 4.970 3.830 3.737 3.982 . 0 0 "[ .]" 1
495 1 58 VAL HA 1 59 THR H 2.500 . 2.500 2.235 2.189 2.276 . 0 0 "[ .]" 1
496 1 58 VAL MG1 1 67 PHE HB3 5.500 . 5.500 4.708 4.362 4.824 . 0 0 "[ .]" 1
497 1 58 VAL MG1 1 67 PHE QD 4.970 . 4.970 3.274 3.131 3.473 . 0 0 "[ .]" 1
498 1 58 VAL MG1 1 59 THR H 3.040 . 3.040 2.343 2.127 2.561 . 0 0 "[ .]" 1
499 1 58 VAL MG2 1 59 THR H 5.500 . 5.500 3.911 3.752 4.088 . 0 0 "[ .]" 1
500 1 58 VAL HA 1 58 VAL MG1 2.500 . 2.500 2.412 2.319 2.487 . 0 0 "[ .]" 1
501 1 58 VAL HA 1 58 VAL MG2 2.750 . 2.750 2.219 2.127 2.299 . 0 0 "[ .]" 1
502 1 58 VAL H 1 58 VAL HB 3.700 . 3.700 2.843 2.743 2.949 . 0 0 "[ .]" 1
503 1 58 VAL H 1 58 VAL MG1 5.500 . 5.500 3.903 3.856 3.969 . 0 0 "[ .]" 1
504 1 58 VAL H 1 58 VAL MG2 3.350 . 3.350 3.187 3.021 3.350 . 0 0 "[ .]" 1
505 1 60 PRO HA 1 62 GLY H 5.500 . 5.500 3.949 3.751 4.322 . 0 0 "[ .]" 1
506 1 60 PRO HA 1 61 ASN H 2.750 . 2.750 2.394 2.258 2.663 . 0 0 "[ .]" 1
507 1 60 PRO HB2 1 62 GLY H 4.510 . 4.510 2.832 2.483 3.098 . 0 0 "[ .]" 1
508 1 60 PRO HB2 1 61 ASN H 5.500 . 5.500 2.928 2.226 3.345 . 0 0 "[ .]" 1
509 1 61 ASN HA 1 62 GLY H 4.080 . 4.080 3.258 3.021 3.397 . 0 0 "[ .]" 1
510 1 61 ASN HA 1 61 ASN HB2 2.750 . 2.750 2.427 2.400 2.513 . 0 0 "[ .]" 1
511 1 61 ASN QD 1 62 GLY HA3 4.970 . 4.970 4.215 3.900 4.567 . 0 0 "[ .]" 1
512 1 61 ASN HB2 1 61 ASN QD 3.040 . 3.040 2.262 2.229 2.318 . 0 0 "[ .]" 1
513 1 61 ASN H 1 62 GLY H 3.350 . 3.350 2.055 1.900 2.466 0.000 2 0 "[ .]" 1
514 1 61 ASN H 1 63 SER H 5.500 . 5.500 3.349 3.105 3.712 . 0 0 "[ .]" 1
515 1 62 GLY HA2 1 63 SER H 4.970 . 4.970 2.766 2.646 2.980 . 0 0 "[ .]" 1
516 1 62 GLY H 1 62 GLY HA2 3.040 . 3.040 2.449 2.358 2.521 . 0 0 "[ .]" 1
517 1 62 GLY H 1 64 GLY H 5.500 . 5.500 4.260 3.394 5.122 . 0 0 "[ .]" 1
518 1 62 GLY H 1 63 SER H 3.700 . 3.700 2.316 1.912 2.695 . 0 0 "[ .]" 1
519 1 63 SER H 1 64 GLY H 3.700 . 3.700 2.352 1.965 2.896 . 0 0 "[ .]" 1
520 1 63 SER H 1 63 SER QB 3.350 . 3.350 2.509 2.367 2.630 . 0 0 "[ .]" 1
521 1 64 GLY QA 1 65 ASN H 5.500 . 5.500 2.283 2.216 2.324 . 0 0 "[ .]" 1
522 1 65 ASN HA 1 66 THR H 4.510 . 4.510 3.275 3.156 3.364 . 0 0 "[ .]" 1
523 1 65 ASN HB2 1 65 ASN QD 3.350 . 3.350 2.809 2.252 3.350 0.000 4 0 "[ .]" 1
524 1 65 ASN H 1 66 THR H 3.040 . 3.040 2.201 2.099 2.347 . 0 0 "[ .]" 1
525 1 66 THR HA 1 67 PHE H 2.500 . 2.500 2.257 2.192 2.414 . 0 0 "[ .]" 1
526 1 66 THR HA 1 66 THR MG 2.750 . 2.750 2.224 2.143 2.377 . 0 0 "[ .]" 1
527 1 66 THR HB 1 67 PHE H 5.500 . 5.500 4.185 3.595 4.384 . 0 0 "[ .]" 1
528 1 66 THR MG 1 67 PHE H 3.350 . 3.350 2.867 1.926 3.257 . 0 0 "[ .]" 1
529 1 66 THR H 1 66 THR HB 3.350 . 3.350 2.669 2.445 2.875 . 0 0 "[ .]" 1
530 1 66 THR H 1 66 THR MG 4.970 . 4.970 3.864 3.775 3.923 . 0 0 "[ .]" 1
531 1 67 PHE HA 1 68 GLY H 2.750 . 2.750 2.345 2.271 2.455 . 0 0 "[ .]" 1
532 1 67 PHE HB2 1 68 GLY H 3.040 . 3.040 2.775 2.463 3.004 . 0 0 "[ .]" 1
533 1 67 PHE QD 1 68 GLY H 5.500 . 5.500 3.699 3.556 3.817 . 0 0 "[ .]" 1
534 1 67 PHE QD 1 69 VAL QG 3.700 . 3.700 2.530 2.310 2.917 . 0 0 "[ .]" 1
535 1 67 PHE H 1 67 PHE QD 4.510 . 4.510 2.190 2.004 2.377 . 0 0 "[ .]" 1
536 1 68 GLY HA2 1 69 VAL H 3.040 . 3.040 2.417 2.331 2.480 . 0 0 "[ .]" 1
537 1 69 VAL HA 1 70 THR H 3.040 . 3.040 2.340 2.269 2.470 . 0 0 "[ .]" 1
538 1 69 VAL HB 1 70 THR H 3.040 . 3.040 2.781 2.412 2.992 . 0 0 "[ .]" 1
539 1 69 VAL HA 1 69 VAL QG 2.750 . 2.750 2.245 2.137 2.355 . 0 0 "[ .]" 1
540 1 69 VAL QG 1 71 VAL MG2 2.500 . 2.500 2.320 2.191 2.472 . 0 0 "[ .]" 1
541 1 69 VAL QG 1 71 VAL H 5.500 . 5.500 3.773 3.515 4.262 . 0 0 "[ .]" 1
542 1 69 VAL H 1 69 VAL QG 2.750 . 2.750 2.001 1.900 2.190 . 0 0 "[ .]" 1
543 1 70 THR HA 1 70 THR MG 3.040 . 3.040 2.369 2.313 2.411 . 0 0 "[ .]" 1
544 1 70 THR HA 1 71 VAL MG2 5.500 . 5.500 3.840 3.460 4.144 . 0 0 "[ .]" 1
545 1 70 THR HA 1 71 VAL H 2.500 . 2.500 2.243 2.205 2.290 . 0 0 "[ .]" 1
546 1 70 THR HA 1 70 THR HG1 4.080 . 4.080 2.721 2.158 3.442 . 0 0 "[ .]" 1
547 1 70 THR HG1 1 70 THR MG 3.350 . 3.350 2.416 1.912 3.041 . 0 0 "[ .]" 1
548 1 70 THR MG 1 71 VAL H 3.700 . 3.700 3.104 2.521 3.415 . 0 0 "[ .]" 1
549 1 70 THR H 1 70 THR HB 3.040 . 3.040 2.549 2.469 2.677 . 0 0 "[ .]" 1
550 1 70 THR H 1 70 THR MG 4.970 . 4.970 3.807 3.777 3.862 . 0 0 "[ .]" 1
551 1 71 VAL HA 1 72 MET H 2.500 . 2.500 2.292 2.213 2.339 . 0 0 "[ .]" 1
552 1 71 VAL MG2 1 72 MET H 4.970 . 4.970 3.949 3.757 4.039 . 0 0 "[ .]" 1
553 1 71 VAL HA 1 71 VAL MG2 2.750 . 2.750 2.355 2.262 2.442 . 0 0 "[ .]" 1
554 1 71 VAL H 1 71 VAL MG2 3.040 . 3.040 2.428 2.150 2.514 . 0 0 "[ .]" 1
555 1 72 MET HA 1 73 LYS H 2.500 . 2.500 2.232 2.200 2.270 . 0 0 "[ .]" 1
556 1 72 MET HB3 1 74 ASN QD 5.500 . 5.500 3.321 2.834 3.548 . 0 0 "[ .]" 1
557 1 72 MET HB3 1 72 MET QG 2.750 . 2.750 2.421 2.306 2.522 . 0 0 "[ .]" 1
558 1 72 MET H 1 72 MET HB2 3.350 . 3.350 2.511 2.356 2.649 . 0 0 "[ .]" 1
559 1 72 MET H 1 72 MET QG 3.700 . 3.700 2.680 2.186 3.294 . 0 0 "[ .]" 1
560 1 73 LYS H 1 74 ASN H 3.700 . 3.700 3.190 3.072 3.226 . 0 0 "[ .]" 1
561 1 74 ASN HA 1 75 GLY H 3.040 . 3.040 2.992 2.880 3.043 0.003 4 0 "[ .]" 1
562 1 74 ASN HB2 1 74 ASN QD 2.750 . 2.750 2.636 2.507 2.743 . 0 0 "[ .]" 1
563 1 74 ASN H 1 75 GLY H 3.700 . 3.700 2.700 2.625 2.801 . 0 0 "[ .]" 1
564 1 75 GLY HA3 1 76 SER H 5.500 . 5.500 3.260 2.755 3.545 . 0 0 "[ .]" 1
565 1 75 GLY H 1 75 GLY HA2 2.750 . 2.750 2.431 2.388 2.481 . 0 0 "[ .]" 1
566 1 76 SER HA 1 77 SER H 3.040 . 3.040 2.477 2.192 2.884 . 0 0 "[ .]" 1
567 1 76 SER HA 1 78 THR H 5.500 . 5.500 4.071 3.424 4.383 . 0 0 "[ .]" 1
568 1 76 SER HA 1 76 SER QB 4.510 . 4.510 2.436 2.173 2.546 . 0 0 "[ .]" 1
569 1 76 SER H 1 76 SER QB 4.080 . 4.080 2.744 2.346 3.001 . 0 0 "[ .]" 1
570 1 77 SER H 1 78 THR H 4.970 . 4.970 2.057 1.901 2.206 . 0 0 "[ .]" 1
571 1 78 THR HA 1 79 THR H 2.500 . 2.500 2.198 2.191 2.204 . 0 0 "[ .]" 1
572 1 78 THR HA 1 78 THR MG 2.500 . 2.500 2.220 2.078 2.581 0.081 4 0 "[ .]" 1
573 1 78 THR H 1 78 THR MG 3.350 . 3.350 3.539 3.528 3.566 0.216 4 0 "[ .]" 1
574 1 79 THR H 1 80 PRO HD2 5.500 . 5.500 4.811 4.793 4.829 . 0 0 "[ .]" 1
575 1 80 PRO HA 1 81 ALA H 2.500 . 2.500 2.445 2.365 2.499 . 0 0 "[ .]" 1
576 1 80 PRO QB 1 81 ALA H 3.700 . 3.700 2.642 2.515 2.831 . 0 0 "[ .]" 1
577 1 81 ALA HA 1 82 ALA MB 4.510 . 4.510 3.942 3.826 4.049 . 0 0 "[ .]" 1
578 1 81 ALA HA 1 82 ALA H 2.500 . 2.500 2.315 2.192 2.511 0.011 3 0 "[ .]" 1
579 1 81 ALA MB 1 82 ALA H 3.350 . 3.350 2.975 2.508 3.355 0.005 5 0 "[ .]" 1
580 1 81 ALA H 1 81 ALA MB 2.500 . 2.500 2.271 2.131 2.428 . 0 0 "[ .]" 1
581 1 81 ALA H 1 82 ALA H 5.500 . 5.500 4.477 4.302 4.621 . 0 0 "[ .]" 1
582 1 82 ALA HA 1 83 THR H 2.500 . 2.500 2.322 2.279 2.426 . 0 0 "[ .]" 1
583 1 82 ALA MB 1 83 THR H 2.750 . 2.750 2.728 2.589 2.766 0.016 1 0 "[ .]" 1
584 1 82 ALA H 1 82 ALA MB 2.750 . 2.750 2.369 2.217 2.607 . 0 0 "[ .]" 1
585 1 83 THR HA 1 84 CYS H 2.500 . 2.500 2.192 2.184 2.199 . 0 0 "[ .]" 1
586 1 83 THR HB 1 84 CYS H 3.350 . 3.350 3.367 3.352 3.384 0.034 4 0 "[ .]" 1
587 1 83 THR HA 1 83 THR HB 3.040 . 3.040 2.497 2.462 2.516 . 0 0 "[ .]" 1
588 1 83 THR MG 1 84 CYS H 4.080 . 4.080 3.996 3.955 4.057 . 0 0 "[ .]" 1
589 1 83 THR HA 1 83 THR MG 2.500 . 2.500 2.231 2.200 2.285 . 0 0 "[ .]" 1
590 1 83 THR H 1 83 THR MG 5.500 . 5.500 3.138 3.051 3.184 . 0 0 "[ .]" 1
591 1 84 CYS HA 1 85 ALA MB 5.500 . 5.500 3.971 3.912 4.020 . 0 0 "[ .]" 1
592 1 84 CYS HA 1 85 ALA H 2.500 . 2.500 2.270 2.192 2.513 0.013 3 0 "[ .]" 1
593 1 84 CYS QB 1 85 ALA H 4.080 . 4.080 3.382 2.406 3.805 . 0 0 "[ .]" 1
594 1 84 CYS HA 1 84 CYS QB 3.040 . 3.040 2.282 2.195 2.389 . 0 0 "[ .]" 1
595 1 84 CYS H 1 84 CYS QB 3.040 . 3.040 2.377 2.214 2.524 . 0 0 "[ .]" 1
596 1 85 ALA HA 1 86 GLY H 2.500 . 2.500 2.289 2.191 2.502 0.002 5 0 "[ .]" 1
597 1 85 ALA MB 1 86 GLY H 3.350 . 3.350 2.892 2.296 3.285 . 0 0 "[ .]" 1
598 1 85 ALA H 1 85 ALA MB 2.750 . 2.750 2.513 2.459 2.573 . 0 0 "[ .]" 1
599 1 86 GLY QA 1 87 SER H 3.040 . 3.040 2.470 2.162 2.923 . 0 0 "[ .]" 1
600 1 86 GLY H 1 86 GLY QA 2.500 . 2.500 2.415 2.289 2.487 . 0 0 "[ .]" 1
601 1 86 GLY H 1 87 SER H 5.500 . 5.500 3.401 2.009 4.486 . 0 0 "[ .]" 1
602 1 4 SER QB 1 5 VAL H 3.350 . 3.350 2.449 2.290 2.876 . 0 0 "[ .]" 1
603 1 9 ARG HA 1 10 ALA H 2.500 . 2.500 2.222 2.190 2.259 . 0 0 "[ .]" 1
604 1 13 TRP HB3 1 14 SER H 4.080 . 4.080 2.070 1.904 2.301 . 0 0 "[ .]" 1
605 1 14 SER H 1 14 SER QB 2.750 . 2.750 2.430 2.232 2.676 . 0 0 "[ .]" 1
606 1 14 SER H 1 15 ASP H 4.970 . 4.970 2.451 2.146 2.659 . 0 0 "[ .]" 1
607 1 50 THR H 1 57 THR H 4.510 . 4.510 3.540 2.622 4.256 . 0 0 "[ .]" 1
608 1 78 THR MG 1 79 THR H 3.040 . 3.040 2.932 2.645 3.042 0.002 3 0 "[ .]" 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 192
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 3.903
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0145
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 CYS 0.000 0.000 . 0 "[ .]"
1 4 SER 0.000 0.000 . 0 "[ .]"
1 5 VAL 0.088 0.025 4 0 "[ .]"
1 7 ALA 0.000 0.000 . 0 "[ .]"
1 9 ARG 0.000 0.000 . 0 "[ .]"
1 10 ALA 0.000 0.000 . 0 "[ .]"
1 11 GLU 0.000 0.000 . 0 "[ .]"
1 12 GLU 0.000 0.000 . 0 "[ .]"
1 13 TRP 0.000 0.000 . 0 "[ .]"
1 15 ASP 0.000 0.000 . 0 "[ .]"
1 16 ARG 0.000 0.000 . 0 "[ .]"
1 17 PHE 0.027 0.007 2 0 "[ .]"
1 18 ASN 0.000 0.000 . 0 "[ .]"
1 19 VAL 0.007 0.003 4 0 "[ .]"
1 20 THR 0.000 0.000 . 0 "[ .]"
1 21 TYR 0.276 0.032 3 0 "[ .]"
1 22 SER 0.000 0.000 . 0 "[ .]"
1 23 VAL 0.007 0.007 1 0 "[ .]"
1 24 SER 0.000 0.000 . 0 "[ .]"
1 26 SER 0.000 0.000 . 0 "[ .]"
1 27 SER 0.232 0.054 1 0 "[ .]"
1 28 ALA 0.000 0.000 . 0 "[ .]"
1 29 TRP 0.239 0.054 1 0 "[ .]"
1 30 THR 0.000 0.000 . 0 "[ .]"
1 31 VAL 0.003 0.003 3 0 "[ .]"
1 32 ASN 0.000 0.000 . 0 "[ .]"
1 33 LEU 0.000 0.000 . 0 "[ .]"
1 34 ALA 0.000 0.000 . 0 "[ .]"
1 35 LEU 0.018 0.011 1 0 "[ .]"
1 36 ASN 0.025 0.009 5 0 "[ .]"
1 38 SER 0.000 0.000 . 0 "[ .]"
1 39 GLN 0.025 0.009 5 0 "[ .]"
1 40 THR 0.000 0.000 . 0 "[ .]"
1 41 ILE 0.018 0.011 1 0 "[ .]"
1 42 GLN 0.000 0.000 . 0 "[ .]"
1 43 ALA 0.005 0.004 3 0 "[ .]"
1 44 SER 0.000 0.000 . 0 "[ .]"
1 45 TRP 0.002 0.002 1 0 "[ .]"
1 46 ASN 0.000 0.000 . 0 "[ .]"
1 47 ALA 0.001 0.001 4 0 "[ .]"
1 48 ASN 0.000 0.000 . 0 "[ .]"
1 49 VAL 0.000 0.000 . 0 "[ .]"
1 50 THR 0.000 0.000 . 0 "[ .]"
1 55 THR 0.000 0.000 . 0 "[ .]"
1 56 ARG 0.000 0.000 . 0 "[ .]"
1 57 THR 0.000 0.000 . 0 "[ .]"
1 58 VAL 0.006 0.004 4 0 "[ .]"
1 59 THR 0.073 0.029 1 0 "[ .]"
1 60 PRO 0.072 0.029 1 0 "[ .]"
1 61 ASN 0.000 0.000 . 0 "[ .]"
1 63 SER 0.000 0.000 . 0 "[ .]"
1 64 GLY 0.000 0.000 . 0 "[ .]"
1 65 ASN 0.000 0.000 . 0 "[ .]"
1 66 THR 0.000 0.000 . 0 "[ .]"
1 67 PHE 0.000 0.000 . 0 "[ .]"
1 68 GLY 0.000 0.000 . 0 "[ .]"
1 69 VAL 0.000 0.000 . 0 "[ .]"
1 70 THR 0.004 0.004 3 0 "[ .]"
1 71 VAL 0.000 0.000 . 0 "[ .]"
1 72 MET 0.000 0.000 . 0 "[ .]"
1 73 LYS 0.023 0.007 2 0 "[ .]"
1 74 ASN 0.000 0.000 . 0 "[ .]"
1 75 GLY 0.000 0.000 . 0 "[ .]"
1 76 SER 0.000 0.000 . 0 "[ .]"
1 77 SER 0.000 0.000 . 0 "[ .]"
1 78 THR 0.000 0.000 . 0 "[ .]"
1 79 THR 0.127 0.029 1 0 "[ .]"
1 80 PRO 0.179 0.032 3 0 "[ .]"
1 81 ALA 0.000 0.000 . 0 "[ .]"
1 82 ALA 0.081 0.025 4 0 "[ .]"
1 83 THR 0.000 0.000 . 0 "[ .]"
1 84 CYS 0.000 0.000 . 0 "[ .]"
1 85 ALA 0.003 0.003 3 0 "[ .]"
1 86 GLY 0.000 0.000 . 0 "[ .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 TRP HD1 1 46 ASN H 4.970 . 4.970 4.240 3.838 4.560 . 0 0 "[ .]" 2
2 1 21 TYR HH 1 80 PRO HA 5.500 . 5.500 3.996 3.917 4.108 . 0 0 "[ .]" 2
3 1 21 TYR HH 1 80 PRO QG . . 4.080 1.892 1.888 1.895 0.012 3 0 "[ .]" 2
4 1 21 TYR HH 1 80 PRO QB 2.500 . 2.500 2.525 2.516 2.532 0.032 3 0 "[ .]" 2
5 1 29 TRP HZ2 1 60 PRO HB3 3.700 . 3.700 3.323 2.610 3.693 . 0 0 "[ .]" 2
6 1 11 GLU QG 1 13 TRP HZ2 5.500 . 5.500 3.894 2.654 4.794 . 0 0 "[ .]" 2
7 1 11 GLU HB3 1 13 TRP HZ2 5.500 . 5.500 3.354 2.732 3.786 . 0 0 "[ .]" 2
8 1 21 TYR HA 1 21 TYR QE 4.970 . 4.970 4.482 4.452 4.560 . 0 0 "[ .]" 2
9 1 21 TYR QE 1 80 PRO QB 4.970 . 4.970 4.134 4.103 4.164 . 0 0 "[ .]" 2
10 1 7 ALA MB 1 21 TYR QE 2.500 . 2.500 2.445 2.362 2.490 . 0 0 "[ .]" 2
11 1 21 TYR HA 1 21 TYR QD 3.700 . 3.700 2.935 2.846 3.061 . 0 0 "[ .]" 2
12 1 20 THR HA 1 21 TYR QD 5.500 . 5.500 4.076 3.697 4.204 . 0 0 "[ .]" 2
13 1 58 VAL MG2 1 67 PHE HZ 4.080 . 4.080 3.728 3.096 4.078 . 0 0 "[ .]" 2
14 1 4 SER HA 1 84 CYS QB 5.500 . 5.500 2.961 2.527 3.695 . 0 0 "[ .]" 2
15 1 9 ARG HA 1 19 VAL HA 4.970 . 4.970 2.849 2.590 3.158 . 0 0 "[ .]" 2
16 1 59 THR HA 1 60 PRO QD 3.350 . 3.350 1.887 1.871 1.905 0.029 1 0 "[ .]" 2
17 1 22 SER HA 1 66 THR MG 3.350 . 3.350 3.226 2.988 3.343 . 0 0 "[ .]" 2
18 1 80 PRO HA 1 81 ALA MB 4.970 . 4.970 3.988 3.952 4.008 . 0 0 "[ .]" 2
19 1 9 ARG HA 1 10 ALA MB 4.970 . 4.970 3.968 3.900 4.021 . 0 0 "[ .]" 2
20 1 9 ARG HA 1 9 ARG QG 4.510 . 4.510 2.193 2.048 2.373 . 0 0 "[ .]" 2
21 1 19 VAL MG2 1 79 THR HA 4.970 . 4.970 3.631 3.528 3.797 . 0 0 "[ .]" 2
22 1 43 ALA MB 1 70 THR HB 3.040 . 3.040 2.353 1.896 2.926 0.004 3 0 "[ .]" 2
23 1 19 VAL MG1 1 80 PRO HD2 4.970 . 4.970 2.631 2.245 2.907 . 0 0 "[ .]" 2
24 1 71 VAL MG2 1 80 PRO HD2 4.080 . 4.080 3.334 3.038 3.572 . 0 0 "[ .]" 2
25 1 19 VAL MG2 1 80 PRO HD2 3.700 . 3.700 2.702 2.533 2.785 . 0 0 "[ .]" 2
26 1 11 GLU HA 1 11 GLU QG 3.350 . 3.350 2.422 2.081 2.604 . 0 0 "[ .]" 2
27 1 3 CYS HB3 1 84 CYS QB 5.500 . 5.500 4.249 3.770 4.615 . 0 0 "[ .]" 2
28 1 38 SER QB 1 74 ASN HB3 4.510 . 4.510 4.047 3.497 4.485 . 0 0 "[ .]" 2
29 1 39 GLN HB3 1 39 GLN QG 4.510 . 4.510 2.325 2.166 2.399 . 0 0 "[ .]" 2
30 1 9 ARG QD 1 19 VAL MG1 5.500 . 5.500 3.931 3.334 4.477 . 0 0 "[ .]" 2
31 1 9 ARG QD 1 19 VAL MG2 4.080 . 4.080 3.472 3.056 3.869 . 0 0 "[ .]" 2
32 1 5 VAL MG2 1 82 ALA MB 2.500 . 2.500 2.516 2.506 2.525 0.025 4 0 "[ .]" 2
33 1 41 ILE QG 1 41 ILE MG 3.350 . 3.350 2.242 2.139 2.370 . 0 0 "[ .]" 2
34 1 19 VAL MG2 1 79 THR MG 2.750 . 2.750 1.907 1.898 1.941 0.002 1 0 "[ .]" 2
35 1 21 TYR HH 1 80 PRO HD2 3.040 . 3.040 2.919 2.822 3.024 . 0 0 "[ .]" 2
36 1 27 SER HA 1 29 TRP HD1 2.500 . 2.500 2.546 2.538 2.554 0.054 1 0 "[ .]" 2
37 1 41 ILE HA 1 70 THR MG 5.500 . 5.500 4.362 3.921 4.987 . 0 0 "[ .]" 2
38 1 27 SER HA 1 29 TRP HE1 4.080 . 4.080 2.346 2.197 2.515 . 0 0 "[ .]" 2
39 1 21 TYR QE 1 79 THR MG 3.700 . 3.700 3.723 3.713 3.729 0.029 1 0 "[ .]" 2
40 1 29 TRP HB2 1 31 VAL QG 4.510 . 4.510 3.267 2.750 3.534 . 0 0 "[ .]" 2
41 1 7 ALA MB 1 19 VAL MG1 2.500 . 2.500 2.248 2.008 2.438 . 0 0 "[ .]" 2
42 1 3 CYS HB3 1 26 SER H 5.500 . 5.500 4.465 3.998 5.462 . 0 0 "[ .]" 2
43 1 39 GLN H 1 74 ASN HB2 5.500 . 5.500 4.616 4.138 5.210 . 0 0 "[ .]" 2
44 1 40 THR H 1 71 VAL HA 5.500 . 5.500 4.149 3.759 4.425 . 0 0 "[ .]" 2
45 1 42 GLN QG 1 43 ALA H 5.500 . 5.500 4.480 3.991 4.690 . 0 0 "[ .]" 2
46 1 33 LEU HB3 1 56 ARG H 5.500 . 5.500 4.969 4.356 5.319 . 0 0 "[ .]" 2
47 1 47 ALA HA 1 59 THR H 5.500 . 5.500 4.857 4.498 5.501 0.001 4 0 "[ .]" 2
48 1 16 ARG HB2 1 71 VAL H 5.500 . 5.500 4.382 3.931 4.820 . 0 0 "[ .]" 2
49 1 77 SER HA 1 78 THR H 4.970 . 4.970 3.497 3.271 3.571 . 0 0 "[ .]" 2
50 1 31 VAL QG 1 85 ALA H 4.510 . 4.510 4.182 2.933 4.513 0.003 3 0 "[ .]" 2
51 1 17 PHE HZ 1 80 PRO HD3 2.750 . 2.750 2.712 2.635 2.757 0.007 1 0 "[ .]" 2
52 1 17 PHE HZ 1 79 THR HA 3.040 . 3.040 2.450 2.298 2.614 . 0 0 "[ .]" 2
53 1 17 PHE QE 1 73 LYS HA 4.080 . 4.080 3.019 2.788 3.321 . 0 0 "[ .]" 2
54 1 17 PHE QE 1 79 THR HA 2.750 . 2.750 2.555 2.387 2.757 0.007 2 0 "[ .]" 2
55 1 17 PHE QE 1 73 LYS QE 4.510 . 4.510 3.830 3.661 4.008 . 0 0 "[ .]" 2
56 1 17 PHE QD 1 73 LYS HA 4.510 . 4.510 3.660 3.361 4.064 . 0 0 "[ .]" 2
57 1 17 PHE QD 1 79 THR HA 4.970 . 4.970 4.457 4.220 4.650 . 0 0 "[ .]" 2
58 1 17 PHE QD 1 73 LYS QE 2.750 . 2.750 2.169 1.904 2.681 . 0 0 "[ .]" 2
59 1 18 ASN HB3 1 45 TRP HZ2 5.500 . 5.500 3.957 3.536 4.853 . 0 0 "[ .]" 2
60 1 43 ALA MB 1 45 TRP HE3 3.040 . 3.040 3.027 3.011 3.042 0.002 1 0 "[ .]" 2
61 1 45 TRP HB2 1 45 TRP HD1 2.750 . 2.750 2.657 2.620 2.699 . 0 0 "[ .]" 2
62 1 29 TRP HZ2 1 60 PRO HA 5.500 . 5.500 4.339 3.992 4.595 . 0 0 "[ .]" 2
63 1 29 TRP HH2 1 60 PRO HA 4.970 . 4.970 3.880 3.532 4.473 . 0 0 "[ .]" 2
64 1 23 VAL MG2 1 29 TRP HH2 5.500 . 5.500 4.861 4.222 5.215 . 0 0 "[ .]" 2
65 1 29 TRP HE3 1 60 PRO QD 5.500 . 5.500 3.472 3.291 3.896 . 0 0 "[ .]" 2
66 1 29 TRP HE3 1 31 VAL HB 4.510 . 4.510 3.560 3.176 4.286 . 0 0 "[ .]" 2
67 1 29 TRP HE3 1 58 VAL HB 5.500 . 5.500 5.172 4.754 5.502 0.002 4 0 "[ .]" 2
68 1 73 LYS H 1 73 LYS QG 3.350 . 3.350 2.369 1.965 3.357 0.007 2 0 "[ .]" 2
69 1 5 VAL HB 1 82 ALA MB 4.080 . 4.080 2.491 2.223 2.833 . 0 0 "[ .]" 2
70 1 19 VAL MG1 1 79 THR MG 2.750 . 2.750 1.947 1.897 2.078 0.003 4 0 "[ .]" 2
71 1 35 LEU QD 1 41 ILE QG 3.350 . 3.350 2.921 2.259 3.361 0.011 1 0 "[ .]" 2
72 1 73 LYS QD 1 74 ASN H 5.500 . 5.500 4.436 4.108 4.594 . 0 0 "[ .]" 2
73 1 73 LYS HB3 1 74 ASN H 4.970 . 4.970 2.863 2.702 3.038 . 0 0 "[ .]" 2
74 1 12 GLU H 1 12 GLU QB 4.510 . 4.510 2.522 2.353 2.776 . 0 0 "[ .]" 2
75 1 13 TRP HE3 1 16 ARG QG 3.350 . 3.350 2.929 2.323 3.320 . 0 0 "[ .]" 2
76 1 39 GLN QG 1 73 LYS HA 4.080 . 4.080 3.591 2.587 3.910 . 0 0 "[ .]" 2
77 1 71 VAL MG2 1 79 THR HA 5.500 . 5.500 3.800 3.728 3.949 . 0 0 "[ .]" 2
78 1 23 VAL MG2 1 65 ASN HB3 5.500 . 5.500 4.613 4.051 5.402 . 0 0 "[ .]" 2
79 1 10 ALA MB 1 11 GLU HA 5.500 . 5.500 3.994 3.883 4.116 . 0 0 "[ .]" 2
80 1 35 LEU H 1 35 LEU HB2 2.750 . 2.750 2.256 2.220 2.308 . 0 0 "[ .]" 2
81 1 36 ASN H 1 39 GLN HB2 3.700 . 3.700 3.638 3.370 3.709 0.009 5 0 "[ .]" 2
82 1 65 ASN H 1 65 ASN HB2 3.040 . 3.040 2.775 2.508 2.961 . 0 0 "[ .]" 2
83 1 45 TRP HD1 1 68 GLY H 5.500 . 5.500 2.799 2.626 3.085 . 0 0 "[ .]" 2
84 1 73 LYS HB3 1 75 GLY H 4.510 . 4.510 2.560 2.396 2.824 . 0 0 "[ .]" 2
85 1 73 LYS HB3 1 76 SER H 4.510 . 4.510 3.232 2.526 4.112 . 0 0 "[ .]" 2
86 1 82 ALA H 1 83 THR MG 5.500 . 5.500 3.957 3.656 4.252 . 0 0 "[ .]" 2
87 1 17 PHE QE 1 80 PRO HD3 3.350 . 3.350 2.598 2.436 2.811 . 0 0 "[ .]" 2
88 1 17 PHE QE 1 73 LYS HB3 5.500 . 5.500 5.293 5.103 5.504 0.004 4 0 "[ .]" 2
89 1 9 ARG QD 1 17 PHE QD 4.080 . 4.080 2.769 2.450 3.308 . 0 0 "[ .]" 2
90 1 13 TRP HZ3 1 16 ARG QG 5.500 . 5.500 4.443 3.544 5.218 . 0 0 "[ .]" 2
91 1 73 LYS H 1 73 LYS QD 3.350 . 3.350 3.096 2.069 3.355 0.005 4 0 "[ .]" 2
92 1 59 THR HB 1 60 PRO QD 2.750 . 2.750 2.097 1.957 2.278 . 0 0 "[ .]" 2
93 1 71 VAL MG2 1 80 PRO QG 4.080 . 4.080 2.218 2.032 2.388 . 0 0 "[ .]" 2
94 1 31 VAL H 1 59 THR HA 5.500 . 5.500 3.681 3.478 4.035 . 0 0 "[ .]" 2
95 1 58 VAL MG1 1 59 THR HA 4.970 . 4.970 3.454 3.222 3.717 . 0 0 "[ .]" 2
96 1 3 CYS H 1 84 CYS QB 5.500 . 5.500 4.311 3.418 4.751 . 0 0 "[ .]" 2
97 1 12 GLU HA 1 13 TRP HE3 4.510 . 4.510 3.997 3.045 4.466 . 0 0 "[ .]" 2
98 1 16 ARG H 1 16 ARG QG 5.500 . 5.500 2.416 2.044 2.754 . 0 0 "[ .]" 2
99 1 17 PHE QD 1 79 THR MG 5.500 . 5.500 2.718 2.536 2.881 . 0 0 "[ .]" 2
100 1 17 PHE HZ 1 79 THR MG 5.500 . 5.500 3.278 3.008 3.421 . 0 0 "[ .]" 2
101 1 12 GLU HA 1 18 ASN H 5.500 . 5.500 3.577 3.304 3.845 . 0 0 "[ .]" 2
102 1 19 VAL H 1 45 TRP HH2 5.500 . 5.500 4.039 3.473 4.540 . 0 0 "[ .]" 2
103 1 19 VAL MG2 1 21 TYR QD 5.500 . 5.500 4.167 4.004 4.277 . 0 0 "[ .]" 2
104 1 21 TYR QE 1 80 PRO HD2 5.500 . 5.500 2.984 2.876 3.138 . 0 0 "[ .]" 2
105 1 21 TYR QD 1 22 SER H 5.500 . 5.500 3.876 3.490 4.475 . 0 0 "[ .]" 2
106 1 5 VAL MG1 1 23 VAL H 5.500 . 5.500 4.420 3.975 4.773 . 0 0 "[ .]" 2
107 1 23 VAL H 1 65 ASN HB2 5.500 . 5.500 3.499 2.750 4.549 . 0 0 "[ .]" 2
108 1 27 SER H 1 28 ALA MB 5.500 . 5.500 3.979 3.785 4.589 . 0 0 "[ .]" 2
109 1 23 VAL MG2 1 29 TRP HZ3 5.500 . 5.500 4.721 4.356 4.886 . 0 0 "[ .]" 2
110 1 29 TRP HZ3 1 30 THR HA 4.510 . 4.510 3.799 3.513 3.934 . 0 0 "[ .]" 2
111 1 29 TRP HZ3 1 58 VAL HB 3.700 . 3.700 3.374 2.631 3.704 0.004 4 0 "[ .]" 2
112 1 29 TRP HZ3 1 60 PRO QD 5.500 . 5.500 3.327 2.847 3.930 . 0 0 "[ .]" 2
113 1 29 TRP HZ2 1 60 PRO HG3 5.500 . 5.500 4.637 3.694 4.982 . 0 0 "[ .]" 2
114 1 29 TRP HZ2 1 67 PHE QD 5.500 . 5.500 3.349 2.692 4.374 . 0 0 "[ .]" 2
115 1 29 TRP HH2 1 31 VAL QG 5.500 . 5.500 3.222 2.974 4.038 . 0 0 "[ .]" 2
116 1 31 VAL H 1 58 VAL MG1 5.500 . 5.500 3.689 3.493 4.038 . 0 0 "[ .]" 2
117 1 33 LEU H 1 33 LEU MD1 5.500 . 5.500 3.978 3.626 4.216 . 0 0 "[ .]" 2
118 1 36 ASN H 1 80 PRO QB 5.500 . 5.500 4.043 3.887 4.154 . 0 0 "[ .]" 2
119 1 35 LEU QD 1 39 GLN H 5.500 . 5.500 4.011 3.780 4.255 . 0 0 "[ .]" 2
120 1 41 ILE HA 1 43 ALA H 4.970 . 4.970 3.869 3.672 4.050 . 0 0 "[ .]" 2
121 1 45 TRP HZ3 1 69 VAL HA 4.970 . 4.970 4.355 3.704 4.765 . 0 0 "[ .]" 2
122 1 45 TRP HZ3 1 70 THR HB 5.500 . 5.500 4.515 3.894 5.234 . 0 0 "[ .]" 2
123 1 48 ASN H 1 48 ASN QD 5.500 . 5.500 3.043 2.014 3.632 . 0 0 "[ .]" 2
124 1 48 ASN H 1 61 ASN HB3 5.500 . 5.500 4.483 4.131 4.864 . 0 0 "[ .]" 2
125 1 49 VAL HB 1 50 THR H 5.500 . 5.500 4.239 4.008 4.351 . 0 0 "[ .]" 2
126 1 49 VAL MG1 1 57 THR H 5.500 . 5.500 3.633 3.130 4.321 . 0 0 "[ .]" 2
127 1 27 SER HA 1 65 ASN QD 5.500 . 5.500 2.967 2.514 3.630 . 0 0 "[ .]" 2
128 1 64 GLY QA 1 66 THR H 5.500 . 5.500 3.110 3.026 3.234 . 0 0 "[ .]" 2
129 1 31 VAL QG 1 67 PHE QD 5.500 . 5.500 4.116 3.797 5.084 . 0 0 "[ .]" 2
130 1 33 LEU MD1 1 67 PHE QE 5.500 . 5.500 2.667 2.132 3.011 . 0 0 "[ .]" 2
131 1 67 PHE QE 1 69 VAL QG 5.500 . 5.500 2.579 2.310 2.920 . 0 0 "[ .]" 2
132 1 17 PHE QD 1 73 LYS H 5.500 . 5.500 4.180 3.831 4.803 . 0 0 "[ .]" 2
133 1 15 ASP HA 1 74 ASN H 5.500 . 5.500 4.706 4.023 5.068 . 0 0 "[ .]" 2
134 1 72 MET HB3 1 74 ASN H 5.500 . 5.500 3.891 3.653 4.144 . 0 0 "[ .]" 2
135 1 5 VAL MG2 1 23 VAL MG2 5.500 . 5.500 2.162 1.893 2.587 0.007 1 0 "[ .]" 2
136 1 9 ARG QD 1 79 THR MG 4.970 . 4.970 2.336 1.981 2.697 . 0 0 "[ .]" 2
137 1 11 GLU HB3 1 11 GLU QG 3.350 . 3.350 2.381 2.166 2.545 . 0 0 "[ .]" 2
138 1 15 ASP HB2 1 72 MET ME 4.510 . 4.510 3.988 3.716 4.451 . 0 0 "[ .]" 2
139 1 16 ARG HA 1 73 LYS QD 4.970 . 4.970 3.178 2.207 3.899 . 0 0 "[ .]" 2
140 1 16 ARG HB3 1 16 ARG QD 5.500 . 5.500 2.696 2.240 3.022 . 0 0 "[ .]" 2
141 1 18 ASN HA 1 19 VAL MG2 5.500 . 5.500 3.017 2.919 3.125 . 0 0 "[ .]" 2
142 1 18 ASN HA 1 70 THR MG 5.500 . 5.500 3.760 3.386 4.036 . 0 0 "[ .]" 2
143 1 19 VAL MG1 1 20 THR HA 5.500 . 5.500 4.215 4.055 4.362 . 0 0 "[ .]" 2
144 1 20 THR HA 1 69 VAL QG 5.500 . 5.500 4.399 4.265 4.515 . 0 0 "[ .]" 2
145 1 7 ALA HA 1 21 TYR HA 5.500 . 5.500 2.398 2.218 2.745 . 0 0 "[ .]" 2
146 1 5 VAL MG2 1 23 VAL HA 5.500 . 5.500 4.185 3.720 4.662 . 0 0 "[ .]" 2
147 1 23 VAL HA 1 84 CYS QB 5.500 . 5.500 4.809 4.409 5.275 . 0 0 "[ .]" 2
148 1 23 VAL MG1 1 24 SER HA 5.500 . 5.500 3.712 3.469 4.192 . 0 0 "[ .]" 2
149 1 26 SER QB 1 29 TRP HB3 5.500 . 5.500 4.093 3.716 4.431 . 0 0 "[ .]" 2
150 1 28 ALA HA 1 60 PRO HG2 5.500 . 5.500 3.319 3.104 3.744 . 0 0 "[ .]" 2
151 1 29 TRP HA 1 86 GLY QA 5.500 . 5.500 3.949 3.248 4.568 . 0 0 "[ .]" 2
152 1 30 THR HA 1 30 THR MG 2.750 . 2.750 2.242 2.158 2.376 . 0 0 "[ .]" 2
153 1 30 THR MG 1 31 VAL HA 5.500 . 5.500 4.404 3.950 4.682 . 0 0 "[ .]" 2
154 1 31 VAL QG 1 32 ASN HA 5.500 . 5.500 3.767 3.579 3.943 . 0 0 "[ .]" 2
155 1 32 ASN HA 1 58 VAL MG2 5.500 . 5.500 3.707 2.468 4.298 . 0 0 "[ .]" 2
156 1 33 LEU HA 1 34 ALA MB 4.510 . 4.510 3.940 3.848 4.018 . 0 0 "[ .]" 2
157 1 34 ALA HA 1 35 LEU QD 5.500 . 5.500 4.173 3.719 4.844 . 0 0 "[ .]" 2
158 1 36 ASN QB 1 78 THR MG 4.970 . 4.970 4.667 4.377 4.900 . 0 0 "[ .]" 2
159 1 38 SER HA 1 38 SER QB 4.080 . 4.080 2.317 2.187 2.411 . 0 0 "[ .]" 2
160 1 38 SER QB 1 74 ASN HB2 5.500 . 5.500 4.596 3.695 5.121 . 0 0 "[ .]" 2
161 1 39 GLN HA 1 40 THR MG 5.500 . 5.500 3.217 2.995 3.354 . 0 0 "[ .]" 2
162 1 39 GLN HB2 1 39 GLN QG 5.500 . 5.500 2.402 2.334 2.540 . 0 0 "[ .]" 2
163 1 41 ILE HB 1 41 ILE QG 4.510 . 4.510 2.229 2.200 2.341 . 0 0 "[ .]" 2
164 1 42 GLN QG 1 43 ALA MB 5.500 . 5.500 4.638 3.558 5.202 . 0 0 "[ .]" 2
165 1 41 ILE HB 1 41 ILE MD 4.080 . 4.080 3.020 2.329 3.199 . 0 0 "[ .]" 2
166 1 41 ILE MG 1 42 GLN HA 5.500 . 5.500 3.737 3.347 4.025 . 0 0 "[ .]" 2
167 1 41 ILE MG 1 43 ALA HA 5.500 . 5.500 3.923 3.721 4.102 . 0 0 "[ .]" 2
168 1 43 ALA MB 1 44 SER HA 5.500 . 5.500 3.758 3.707 3.805 . 0 0 "[ .]" 2
169 1 44 SER HA 1 69 VAL HB 5.500 . 5.500 4.554 4.316 4.794 . 0 0 "[ .]" 2
170 1 44 SER QB 1 47 ALA MB 5.500 . 5.500 3.958 3.611 4.261 . 0 0 "[ .]" 2
171 1 44 SER QB 1 49 VAL HB 4.510 . 4.510 3.361 2.247 3.826 . 0 0 "[ .]" 2
172 1 49 VAL HB 1 58 VAL MG2 5.500 . 5.500 3.939 3.776 4.213 . 0 0 "[ .]" 2
173 1 34 ALA MB 1 55 THR HA 4.970 . 4.970 3.715 3.432 4.029 . 0 0 "[ .]" 2
174 1 59 THR MG 1 60 PRO QD 5.500 . 5.500 3.160 2.976 3.390 . 0 0 "[ .]" 2
175 1 46 ASN QB 1 63 SER QB 5.500 . 5.500 4.414 3.624 5.206 . 0 0 "[ .]" 2
176 1 23 VAL HB 1 65 ASN HA 5.500 . 5.500 4.510 3.949 5.099 . 0 0 "[ .]" 2
177 1 23 VAL HB 1 65 ASN HB3 4.510 . 4.510 3.205 2.458 4.296 . 0 0 "[ .]" 2
178 1 68 GLY HA2 1 69 VAL QG 5.500 . 5.500 3.092 3.017 3.166 . 0 0 "[ .]" 2
179 1 33 LEU MD2 1 69 VAL QG 5.500 . 5.500 3.511 2.963 3.820 . 0 0 "[ .]" 2
180 1 69 VAL QG 1 70 THR HA 5.500 . 5.500 3.938 3.810 4.205 . 0 0 "[ .]" 2
181 1 42 GLN QB 1 70 THR HB 4.970 . 4.970 2.978 2.196 3.785 . 0 0 "[ .]" 2
182 1 16 ARG HB2 1 72 MET HA 4.510 . 4.510 2.614 2.259 2.942 . 0 0 "[ .]" 2
183 1 72 MET HA 1 72 MET QG 5.500 . 5.500 2.510 2.161 3.074 . 0 0 "[ .]" 2
184 1 73 LYS QE 1 73 LYS QG 4.510 . 4.510 2.155 2.097 2.183 . 0 0 "[ .]" 2
185 1 39 GLN QG 1 76 SER QB 4.970 . 4.970 2.588 2.080 3.597 . 0 0 "[ .]" 2
186 1 79 THR HA 1 79 THR MG 2.500 . 2.500 2.096 2.042 2.151 . 0 0 "[ .]" 2
187 1 34 ALA MB 1 81 ALA MB 3.350 . 3.350 2.705 2.515 3.027 . 0 0 "[ .]" 2
188 1 23 VAL MG1 1 84 CYS QB 5.500 . 5.500 2.473 2.084 2.815 . 0 0 "[ .]" 2
189 1 39 GLN QG 1 71 VAL MG2 5.500 . 5.500 5.096 4.495 5.493 . 0 0 "[ .]" 2
190 1 22 SER QB 1 66 THR HA 5.500 . 5.500 2.672 2.490 3.029 . 0 0 "[ .]" 2
191 1 33 LEU MD2 1 35 LEU QD 5.500 . 5.500 4.011 3.556 5.127 . 0 0 "[ .]" 2
192 1 56 ARG HA 1 56 ARG QG 5.500 . 5.500 2.376 2.044 3.052 . 0 0 "[ .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 204
_Distance_constraint_stats_list.Viol_count 77
_Distance_constraint_stats_list.Viol_total 12.659
_Distance_constraint_stats_list.Viol_max 0.186
_Distance_constraint_stats_list.Viol_rms 0.0158
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0329
_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 2 GLY 0.000 0.000 . 0 "[ .]"
1 3 CYS 0.000 0.000 . 0 "[ .]"
1 4 SER 0.000 0.000 . 0 "[ .]"
1 5 VAL 0.726 0.165 2 0 "[ .]"
1 6 THR 0.000 0.000 . 0 "[ .]"
1 7 ALA 0.023 0.012 4 0 "[ .]"
1 8 THR 0.000 0.000 . 0 "[ .]"
1 9 ARG 0.003 0.003 5 0 "[ .]"
1 10 ALA 0.000 0.000 . 0 "[ .]"
1 11 GLU 0.000 0.000 . 0 "[ .]"
1 12 GLU 0.000 0.000 . 0 "[ .]"
1 13 TRP 0.000 0.000 . 0 "[ .]"
1 15 ASP 0.000 0.000 . 0 "[ .]"
1 16 ARG 0.266 0.071 5 0 "[ .]"
1 17 PHE 0.018 0.007 2 0 "[ .]"
1 18 ASN 0.000 0.000 . 0 "[ .]"
1 19 VAL 0.014 0.007 2 0 "[ .]"
1 20 THR 0.000 0.000 . 0 "[ .]"
1 21 TYR 0.027 0.012 4 0 "[ .]"
1 22 SER 0.042 0.026 2 0 "[ .]"
1 23 VAL 0.587 0.165 2 0 "[ .]"
1 24 SER 0.000 0.000 . 0 "[ .]"
1 25 GLY 0.000 0.000 . 0 "[ .]"
1 26 SER 0.000 0.000 . 0 "[ .]"
1 27 SER 0.000 0.000 . 0 "[ .]"
1 28 ALA 0.000 0.000 . 0 "[ .]"
1 29 TRP 0.000 0.000 . 0 "[ .]"
1 30 THR 0.006 0.006 3 0 "[ .]"
1 31 VAL 0.724 0.165 2 0 "[ .]"
1 32 ASN 0.000 0.000 . 0 "[ .]"
1 33 LEU 0.047 0.012 4 0 "[ .]"
1 34 ALA 0.000 0.000 . 0 "[ .]"
1 35 LEU 0.517 0.064 2 0 "[ .]"
1 36 ASN 0.033 0.017 1 0 "[ .]"
1 37 GLY 0.000 0.000 . 0 "[ .]"
1 38 SER 0.000 0.000 . 0 "[ .]"
1 39 GLN 0.244 0.053 5 0 "[ .]"
1 40 THR 0.000 0.000 . 0 "[ .]"
1 41 ILE 0.010 0.009 4 0 "[ .]"
1 42 GLN 0.005 0.003 5 0 "[ .]"
1 43 ALA 0.000 0.000 . 0 "[ .]"
1 44 SER 0.000 0.000 . 0 "[ .]"
1 45 TRP 0.000 0.000 . 0 "[ .]"
1 46 ASN 0.000 0.000 . 0 "[ .]"
1 47 ALA 0.000 0.000 . 0 "[ .]"
1 49 VAL 0.005 0.004 1 0 "[ .]"
1 50 THR 0.000 0.000 . 0 "[ .]"
1 51 GLY 0.000 0.000 . 0 "[ .]"
1 52 SER 0.000 0.000 . 0 "[ .]"
1 53 GLY 0.003 0.003 4 0 "[ .]"
1 54 SER 0.003 0.003 5 0 "[ .]"
1 55 THR 0.003 0.003 4 0 "[ .]"
1 56 ARG 0.462 0.071 5 0 "[ .]"
1 57 THR 0.000 0.000 . 0 "[ .]"
1 58 VAL 0.005 0.004 1 0 "[ .]"
1 59 THR 0.000 0.000 . 0 "[ .]"
1 60 PRO 0.000 0.000 . 0 "[ .]"
1 61 ASN 0.000 0.000 . 0 "[ .]"
1 62 GLY 0.000 0.000 . 0 "[ .]"
1 63 SER 0.000 0.000 . 0 "[ .]"
1 64 GLY 0.000 0.000 . 0 "[ .]"
1 65 ASN 0.000 0.000 . 0 "[ .]"
1 66 THR 0.000 0.000 . 0 "[ .]"
1 67 PHE 0.023 0.012 4 0 "[ .]"
1 68 GLY 0.000 0.000 . 0 "[ .]"
1 69 VAL 0.007 0.004 3 0 "[ .]"
1 70 THR 0.001 0.001 1 0 "[ .]"
1 71 VAL 0.009 0.003 5 0 "[ .]"
1 72 MET 0.000 0.000 . 0 "[ .]"
1 73 LYS 0.907 0.186 2 0 "[ .]"
1 74 ASN 0.000 0.000 . 0 "[ .]"
1 75 GLY 0.891 0.186 2 0 "[ .]"
1 76 SER 0.034 0.028 5 0 "[ .]"
1 77 SER 0.060 0.028 5 0 "[ .]"
1 78 THR 0.031 0.028 5 0 "[ .]"
1 79 THR 0.103 0.039 2 0 "[ .]"
1 80 PRO 1.128 0.186 2 0 "[ .]"
1 81 ALA 0.000 0.000 . 0 "[ .]"
1 82 ALA 0.121 0.036 3 0 "[ .]"
1 83 THR 0.000 0.000 . 0 "[ .]"
1 84 CYS 0.072 0.026 2 0 "[ .]"
1 85 ALA 0.006 0.006 3 0 "[ .]"
1 86 GLY 0.006 0.006 3 0 "[ .]"
1 87 SER 0.000 0.000 . 0 "[ .]"
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 73 LYS HB2 1 74 ASN H 3.700 . 3.700 2.092 1.960 2.378 . 0 0 "[ .]" 3
2 1 21 TYR H 1 57 THR HA 4.970 . 4.970 2.282 2.112 2.435 . 0 0 "[ .]" 3
3 1 12 GLU QB 1 13 TRP H 4.510 . 4.510 2.884 2.161 3.150 . 0 0 "[ .]" 3
4 1 7 ALA HA 1 22 SER H 3.700 . 3.700 2.893 2.707 3.106 . 0 0 "[ .]" 3
5 1 21 TYR HH 1 35 LEU HA 5.500 . 5.500 4.920 4.805 5.061 . 0 0 "[ .]" 3
6 1 7 ALA MB 1 21 TYR HH 4.080 . 4.080 3.448 3.384 3.550 . 0 0 "[ .]" 3
7 1 12 GLU H 1 12 GLU QB 4.080 . 4.080 2.363 2.140 2.570 . 0 0 "[ .]" 3
8 1 40 THR H 1 72 MET HB2 3.350 . 3.350 2.790 2.409 3.154 . 0 0 "[ .]" 3
9 1 72 MET HB2 1 74 ASN QD 4.510 . 4.510 2.681 2.587 2.780 . 0 0 "[ .]" 3
10 1 19 VAL HB 1 21 TYR QE 2.500 . 2.500 2.106 1.981 2.214 . 0 0 "[ .]" 3
11 1 21 TYR HB2 1 21 TYR QE 2.500 . 2.500 2.472 2.457 2.504 0.004 3 0 "[ .]" 3
12 1 21 TYR QD 1 33 LEU MD2 3.350 . 3.350 2.952 2.581 3.176 . 0 0 "[ .]" 3
13 1 2 GLY QA 1 80 PRO HD2 3.350 . 3.350 2.705 2.691 2.718 . 0 0 "[ .]" 3
14 1 5 VAL MG1 1 21 TYR HA 4.970 . 4.970 3.330 3.208 3.480 . 0 0 "[ .]" 3
15 1 71 VAL HB 1 72 MET HA 5.500 . 5.500 3.741 3.576 3.864 . 0 0 "[ .]" 3
16 1 6 THR HA 1 7 ALA MB 4.970 . 4.970 3.899 3.819 3.963 . 0 0 "[ .]" 3
17 1 9 ARG QG 1 19 VAL HA 4.510 . 4.510 3.937 3.323 4.513 0.003 5 0 "[ .]" 3
18 1 73 LYS QD 1 75 GLY HA3 3.350 . 3.350 3.528 3.524 3.536 0.186 2 0 "[ .]" 3
19 1 7 ALA MB 1 9 ARG HA 5.500 . 5.500 4.928 4.316 5.325 . 0 0 "[ .]" 3
20 1 35 LEU HA 1 35 LEU QD 2.500 . 2.500 1.957 1.861 2.262 0.039 2 0 "[ .]" 3
21 1 35 LEU HA 1 35 LEU HB3 2.750 . 2.750 2.484 2.290 2.606 . 0 0 "[ .]" 3
22 1 35 LEU HA 1 35 LEU HB2 4.510 . 4.510 2.993 2.981 3.007 . 0 0 "[ .]" 3
23 1 30 THR HB 1 85 ALA MB 3.350 . 3.350 2.378 1.894 3.319 0.006 3 0 "[ .]" 3
24 1 71 VAL HB 1 80 PRO HD2 4.970 . 4.970 4.317 4.101 4.559 . 0 0 "[ .]" 3
25 1 36 ASN QB 1 76 SER QB 4.510 . 4.510 3.176 2.755 3.372 . 0 0 "[ .]" 3
26 1 36 ASN QB 1 37 GLY QA 5.500 . 5.500 3.167 2.767 3.482 . 0 0 "[ .]" 3
27 1 36 ASN QB 1 76 SER QB 5.500 . 5.500 3.344 2.763 3.618 . 0 0 "[ .]" 3
28 1 6 THR MG 1 22 SER QB 3.350 . 3.350 2.218 1.947 2.515 . 0 0 "[ .]" 3
29 1 13 TRP HB2 1 16 ARG HB2 4.510 . 4.510 2.728 1.914 3.234 . 0 0 "[ .]" 3
30 1 12 GLU QB 1 17 PHE QB 4.970 . 4.970 2.641 2.348 2.982 . 0 0 "[ .]" 3
31 1 31 VAL QG 1 58 VAL MG2 3.040 . 3.040 1.906 1.896 1.927 0.004 1 0 "[ .]" 3
32 1 23 VAL MG1 1 31 VAL QG 2.500 . 2.500 2.342 2.093 2.512 0.012 5 0 "[ .]" 3
33 1 19 VAL MG1 1 21 TYR HB2 3.700 . 3.700 3.263 3.050 3.385 . 0 0 "[ .]" 3
34 1 16 ARG HA 1 16 ARG QG 3.350 . 3.350 2.223 1.901 3.159 . 0 0 "[ .]" 3
35 1 35 LEU HB3 1 39 GLN H 5.500 . 5.500 3.501 3.168 3.945 . 0 0 "[ .]" 3
36 1 35 LEU HB3 1 36 ASN H 3.350 . 3.350 2.812 2.298 3.286 . 0 0 "[ .]" 3
37 1 5 VAL MG1 1 82 ALA MB 2.500 . 2.500 1.876 1.864 1.884 0.036 3 0 "[ .]" 3
38 1 33 LEU HB2 1 58 VAL MG2 3.040 . 3.040 2.325 2.167 2.614 . 0 0 "[ .]" 3
39 1 31 VAL QG 1 33 LEU HB2 3.700 . 3.700 2.803 2.313 3.710 0.010 5 0 "[ .]" 3
40 1 33 LEU MD1 1 56 ARG HB2 4.970 . 4.970 3.733 2.961 4.012 . 0 0 "[ .]" 3
41 1 56 ARG HB2 1 58 VAL MG2 5.500 . 5.500 4.221 3.453 4.743 . 0 0 "[ .]" 3
42 1 49 VAL MG1 1 56 ARG HB2 4.080 . 4.080 3.160 2.351 3.750 . 0 0 "[ .]" 3
43 1 15 ASP H 1 15 ASP HB2 4.970 . 4.970 3.539 3.410 3.699 . 0 0 "[ .]" 3
44 1 15 ASP H 1 16 ARG HB2 5.500 . 5.500 4.829 3.661 5.254 . 0 0 "[ .]" 3
45 1 15 ASP HB2 1 16 ARG H 4.510 . 4.510 3.225 2.940 3.599 . 0 0 "[ .]" 3
46 1 16 ARG HB2 1 17 PHE H 3.350 . 3.350 2.534 2.413 2.685 . 0 0 "[ .]" 3
47 1 26 SER QB 1 27 SER H 2.500 . 2.500 2.246 2.116 2.455 . 0 0 "[ .]" 3
48 1 26 SER QB 1 28 ALA H 4.510 . 4.510 2.586 2.430 2.737 . 0 0 "[ .]" 3
49 1 32 ASN H 1 33 LEU H 5.500 . 5.500 4.186 4.091 4.317 . 0 0 "[ .]" 3
50 1 33 LEU H 1 33 LEU HA 4.080 . 4.080 2.950 2.917 2.971 . 0 0 "[ .]" 3
51 1 33 LEU H 1 33 LEU HB2 3.350 . 3.350 2.325 2.170 2.451 . 0 0 "[ .]" 3
52 1 35 LEU H 1 35 LEU HB3 2.500 . 2.500 2.532 2.502 2.564 0.064 2 0 "[ .]" 3
53 1 35 LEU H 1 55 THR MG 4.970 . 4.970 3.552 3.112 4.530 . 0 0 "[ .]" 3
54 1 35 LEU HB3 1 36 ASN H 4.510 . 4.510 2.789 2.296 3.239 . 0 0 "[ .]" 3
55 1 36 ASN QD 1 77 SER HA 3.040 . 3.040 3.012 2.875 3.057 0.017 1 0 "[ .]" 3
56 1 35 LEU QD 1 39 GLN H 5.500 . 5.500 3.843 3.598 3.998 . 0 0 "[ .]" 3
57 1 39 GLN HA 1 39 GLN QE 4.970 . 4.970 3.795 3.555 4.060 . 0 0 "[ .]" 3
58 1 36 ASN QB 1 39 GLN QE 4.970 . 4.970 3.699 2.885 4.189 . 0 0 "[ .]" 3
59 1 42 GLN H 1 42 GLN QG 4.970 . 4.970 3.538 3.312 3.670 . 0 0 "[ .]" 3
60 1 41 ILE HB 1 42 GLN H 3.040 . 3.040 2.452 2.305 2.589 . 0 0 "[ .]" 3
61 1 50 THR H 1 50 THR MG 3.350 . 3.350 2.969 2.407 3.336 . 0 0 "[ .]" 3
62 1 51 GLY QA 1 52 SER H 2.500 . 2.500 2.140 2.001 2.280 . 0 0 "[ .]" 3
63 1 51 GLY QA 1 53 GLY H 2.750 . 2.750 2.147 1.985 2.506 . 0 0 "[ .]" 3
64 1 56 ARG HB2 1 56 ARG HE 4.510 . 4.510 2.610 2.297 2.837 . 0 0 "[ .]" 3
65 1 41 ILE QG 1 56 ARG HE 4.510 . 4.510 2.272 1.901 2.533 . 0 0 "[ .]" 3
66 1 16 ARG HB2 1 16 ARG HE 3.350 . 3.350 2.248 2.174 2.328 . 0 0 "[ .]" 3
67 1 49 VAL HA 1 59 THR H 4.970 . 4.970 2.895 2.869 2.930 . 0 0 "[ .]" 3
68 1 47 ALA MB 1 59 THR H 4.510 . 4.510 2.778 2.562 3.024 . 0 0 "[ .]" 3
69 1 46 ASN QB 1 65 ASN H 4.080 . 4.080 3.712 3.643 3.828 . 0 0 "[ .]" 3
70 1 65 ASN HB2 1 66 THR H 5.500 . 5.500 3.492 3.327 3.668 . 0 0 "[ .]" 3
71 1 22 SER HA 1 67 PHE H 3.700 . 3.700 2.698 2.505 2.762 . 0 0 "[ .]" 3
72 1 40 THR MG 1 72 MET H 5.500 . 5.500 4.251 4.002 4.392 . 0 0 "[ .]" 3
73 1 38 SER QB 1 74 ASN QD 5.500 . 5.500 3.477 3.035 3.771 . 0 0 "[ .]" 3
74 1 73 LYS HB2 1 75 GLY H 4.970 . 4.970 3.295 3.165 3.417 . 0 0 "[ .]" 3
75 1 73 LYS HA 1 76 SER H 5.500 . 5.500 3.352 2.904 3.860 . 0 0 "[ .]" 3
76 1 75 GLY HA2 1 76 SER H 5.500 . 5.500 2.562 2.313 2.855 . 0 0 "[ .]" 3
77 1 76 SER QB 1 77 SER H 3.350 . 3.350 2.394 2.086 2.791 . 0 0 "[ .]" 3
78 1 77 SER QB 1 79 THR H 4.970 . 4.970 3.971 3.838 4.283 . 0 0 "[ .]" 3
79 1 33 LEU HG 1 82 ALA H 5.500 . 5.500 3.892 3.642 4.189 . 0 0 "[ .]" 3
80 1 17 PHE HZ 1 77 SER HA 5.500 . 5.500 4.393 4.222 4.636 . 0 0 "[ .]" 3
81 1 17 PHE HZ 1 76 SER QB 4.080 . 4.080 4.059 3.995 4.083 0.003 2 0 "[ .]" 3
82 1 17 PHE HZ 1 39 GLN HB3 4.970 . 4.970 3.800 3.445 4.000 . 0 0 "[ .]" 3
83 1 17 PHE QE 1 76 SER QB 4.510 . 4.510 3.053 2.974 3.144 . 0 0 "[ .]" 3
84 1 9 ARG QD 1 17 PHE QE 4.970 . 4.970 3.231 2.161 3.703 . 0 0 "[ .]" 3
85 1 17 PHE QE 1 73 LYS QB 5.500 . 5.500 3.887 2.975 4.268 . 0 0 "[ .]" 3
86 1 17 PHE QE 1 19 VAL HB 2.750 . 2.750 2.651 2.519 2.757 0.007 2 0 "[ .]" 3
87 1 9 ARG QG 1 17 PHE QE 4.510 . 4.510 3.876 2.932 4.179 . 0 0 "[ .]" 3
88 1 17 PHE QD 1 19 VAL HB 2.500 . 2.500 1.957 1.897 2.066 0.003 2 0 "[ .]" 3
89 1 9 ARG HB2 1 17 PHE QD 4.970 . 4.970 2.986 2.856 3.155 . 0 0 "[ .]" 3
90 1 23 VAL HB 1 29 TRP HD1 4.970 . 4.970 3.305 2.764 3.763 . 0 0 "[ .]" 3
91 1 22 SER HA 1 67 PHE QD 5.500 . 5.500 3.202 2.784 3.493 . 0 0 "[ .]" 3
92 1 13 TRP HZ3 1 18 ASN HB3 4.970 . 4.970 3.252 2.725 3.749 . 0 0 "[ .]" 3
93 1 13 TRP HZ3 1 18 ASN HB2 4.970 . 4.970 3.421 2.909 4.086 . 0 0 "[ .]" 3
94 1 13 TRP HZ3 1 70 THR MG 4.510 . 4.510 4.049 3.815 4.385 . 0 0 "[ .]" 3
95 1 23 VAL HB 1 29 TRP HH2 5.500 . 5.500 4.289 2.887 5.465 . 0 0 "[ .]" 3
96 1 73 LYS H 1 73 LYS HB3 4.080 . 4.080 2.910 2.480 3.401 . 0 0 "[ .]" 3
97 1 73 LYS H 1 73 LYS HB2 3.700 . 3.700 2.054 1.904 2.262 . 0 0 "[ .]" 3
98 1 39 GLN HB2 1 71 VAL HB 3.350 . 3.350 2.873 2.413 3.210 . 0 0 "[ .]" 3
99 1 35 LEU QD 1 39 GLN HB2 2.750 . 2.750 1.866 1.847 1.893 0.053 5 0 "[ .]" 3
100 1 35 LEU HG 1 39 GLN HB2 3.040 . 3.040 3.045 3.037 3.048 0.008 1 0 "[ .]" 3
101 1 33 LEU MD2 1 56 ARG HB3 5.500 . 5.500 2.792 1.899 3.249 0.001 5 0 "[ .]" 3
102 1 35 LEU QD 1 56 ARG HB2 3.700 . 3.700 2.515 1.888 3.705 0.012 2 0 "[ .]" 3
103 1 33 LEU HB2 1 35 LEU QD 3.700 . 3.700 2.585 2.256 2.929 . 0 0 "[ .]" 3
104 1 13 TRP HZ3 1 18 ASN HD21 4.080 . 4.080 2.784 2.061 3.425 . 0 0 "[ .]" 3
105 1 39 GLN QE 1 76 SER QB 3.700 . 3.700 2.616 2.152 2.970 . 0 0 "[ .]" 3
106 1 7 ALA H 1 7 ALA HA 3.350 . 3.350 2.656 2.644 2.662 . 0 0 "[ .]" 3
107 1 9 ARG H 1 9 ARG HB2 3.350 . 3.350 2.200 2.165 2.233 . 0 0 "[ .]" 3
108 1 9 ARG HB2 1 9 ARG HE 4.970 . 4.970 2.674 2.171 3.188 . 0 0 "[ .]" 3
109 1 13 TRP HZ3 1 18 ASN HA 5.500 . 5.500 3.852 3.455 4.056 . 0 0 "[ .]" 3
110 1 16 ARG H 1 16 ARG HB2 3.700 . 3.700 2.393 2.037 2.714 . 0 0 "[ .]" 3
111 1 16 ARG QG 1 17 PHE H 5.500 . 5.500 3.694 3.388 4.018 . 0 0 "[ .]" 3
112 1 9 ARG QG 1 17 PHE QD 3.350 . 3.350 2.993 2.862 3.169 . 0 0 "[ .]" 3
113 1 17 PHE QD 1 77 SER HA 4.510 . 4.510 3.257 2.893 3.626 . 0 0 "[ .]" 3
114 1 17 PHE QE 1 71 VAL HB 4.970 . 4.970 2.294 2.101 2.457 . 0 0 "[ .]" 3
115 1 17 PHE QE 1 78 THR HA 5.500 . 5.500 3.509 3.454 3.544 . 0 0 "[ .]" 3
116 1 6 THR H 1 21 TYR QD 5.500 . 5.500 3.638 3.386 3.866 . 0 0 "[ .]" 3
117 1 7 ALA MB 1 21 TYR QD 2.750 . 2.750 2.745 2.705 2.762 0.012 4 0 "[ .]" 3
118 1 21 TYR QD 1 33 LEU MD1 3.700 . 3.700 3.219 2.858 3.498 . 0 0 "[ .]" 3
119 1 22 SER QB 1 23 VAL H 4.080 . 4.080 2.711 2.599 2.891 . 0 0 "[ .]" 3
120 1 29 TRP HE3 1 30 THR MG 5.500 . 5.500 4.141 4.020 4.247 . 0 0 "[ .]" 3
121 1 29 TRP HH2 1 65 ASN HB2 5.500 . 5.500 4.281 4.132 4.490 . 0 0 "[ .]" 3
122 1 28 ALA H 1 29 TRP HB3 5.500 . 5.500 4.004 3.524 4.441 . 0 0 "[ .]" 3
123 1 37 GLY QA 1 39 GLN H 4.510 . 4.510 3.370 3.034 3.551 . 0 0 "[ .]" 3
124 1 17 PHE QE 1 39 GLN QE 3.700 . 3.700 2.217 1.896 2.667 0.004 1 0 "[ .]" 3
125 1 39 GLN HB3 1 39 GLN QE 5.500 . 5.500 3.127 2.869 3.277 . 0 0 "[ .]" 3
126 1 39 GLN QE 1 71 VAL HB 4.080 . 4.080 2.365 1.898 2.801 0.002 1 0 "[ .]" 3
127 1 40 THR H 1 71 VAL HB 4.510 . 4.510 3.210 3.061 3.498 . 0 0 "[ .]" 3
128 1 41 ILE HB 1 43 ALA H 4.080 . 4.080 3.072 2.792 3.403 . 0 0 "[ .]" 3
129 1 45 TRP H 1 45 TRP HD1 4.970 . 4.970 3.136 2.934 3.306 . 0 0 "[ .]" 3
130 1 53 GLY QA 1 55 THR H 3.350 . 3.350 3.213 2.924 3.353 0.003 4 0 "[ .]" 3
131 1 51 GLY QA 1 57 THR H 4.970 . 4.970 2.700 2.324 2.915 . 0 0 "[ .]" 3
132 1 46 ASN HA 1 61 ASN QD 5.500 . 5.500 3.871 3.433 4.257 . 0 0 "[ .]" 3
133 1 41 ILE MG 1 70 THR H 3.040 . 3.040 2.230 1.899 2.713 0.001 1 0 "[ .]" 3
134 1 71 VAL H 1 71 VAL HB 2.750 . 2.750 2.508 2.357 2.598 . 0 0 "[ .]" 3
135 1 71 VAL HB 1 72 MET H 3.350 . 3.350 2.235 2.103 2.571 . 0 0 "[ .]" 3
136 1 16 ARG HB3 1 73 LYS H 4.970 . 4.970 3.108 2.935 3.277 . 0 0 "[ .]" 3
137 1 73 LYS HA 1 74 ASN H 2.500 . 2.500 2.317 2.317 2.319 . 0 0 "[ .]" 3
138 1 76 SER QB 1 78 THR H 2.500 . 2.500 2.446 2.203 2.528 0.028 5 0 "[ .]" 3
139 1 4 SER HA 1 68 GLY HA3 4.510 . 4.510 2.684 2.402 3.049 . 0 0 "[ .]" 3
140 1 5 VAL HA 1 23 VAL MG1 5.500 . 5.500 3.604 3.282 3.883 . 0 0 "[ .]" 3
141 1 5 VAL MG1 1 23 VAL MG2 2.500 . 2.500 1.793 1.735 1.836 0.165 2 0 "[ .]" 3
142 1 8 THR HA 1 9 ARG HB2 4.080 . 4.080 2.129 2.009 2.272 . 0 0 "[ .]" 3
143 1 9 ARG HB3 1 9 ARG QD 4.970 . 4.970 2.154 1.928 2.325 . 0 0 "[ .]" 3
144 1 11 GLU HA 1 11 GLU HB2 4.080 . 4.080 2.679 2.480 2.975 . 0 0 "[ .]" 3
145 1 15 ASP HA 1 73 LYS HB2 5.500 . 5.500 3.041 2.464 3.585 . 0 0 "[ .]" 3
146 1 16 ARG HA 1 16 ARG HB2 3.040 . 3.040 2.438 2.391 2.524 . 0 0 "[ .]" 3
147 1 16 ARG HB3 1 16 ARG QG 4.510 . 4.510 2.270 2.166 2.468 . 0 0 "[ .]" 3
148 1 16 ARG QD 1 16 ARG QG 4.510 . 4.510 1.847 1.829 1.854 0.071 5 0 "[ .]" 3
149 1 16 ARG HB2 1 17 PHE HA 5.500 . 5.500 3.718 3.481 3.945 . 0 0 "[ .]" 3
150 1 10 ALA MB 1 19 VAL HA 5.500 . 5.500 3.902 3.355 4.461 . 0 0 "[ .]" 3
151 1 19 VAL HA 1 19 VAL HB 4.970 . 4.970 2.984 2.967 2.992 . 0 0 "[ .]" 3
152 1 21 TYR HA 1 82 ALA MB 4.510 . 4.510 3.337 2.312 3.729 . 0 0 "[ .]" 3
153 1 5 VAL HA 1 23 VAL MG2 4.080 . 4.080 1.983 1.874 2.331 0.026 2 0 "[ .]" 3
154 1 3 CYS HB2 1 25 GLY HA3 4.080 . 4.080 2.264 2.190 2.323 . 0 0 "[ .]" 3
155 1 3 CYS HB2 1 26 SER QB 5.500 . 5.500 3.566 3.120 4.077 . 0 0 "[ .]" 3
156 1 3 CYS HB3 1 23 VAL MG2 5.500 . 5.500 3.727 3.269 4.406 . 0 0 "[ .]" 3
157 1 3 CYS HB3 1 23 VAL MG1 3.700 . 3.700 3.010 2.758 3.194 . 0 0 "[ .]" 3
158 1 32 ASN HA 1 33 LEU HB2 5.500 . 5.500 3.748 3.576 3.951 . 0 0 "[ .]" 3
159 1 35 LEU HA 1 80 PRO QB 3.700 . 3.700 2.108 1.947 2.251 . 0 0 "[ .]" 3
160 1 38 SER HA 1 38 SER QB 4.080 . 4.080 2.180 2.098 2.262 . 0 0 "[ .]" 3
161 1 35 LEU QD 1 39 GLN HA 5.500 . 5.500 2.652 2.515 2.789 . 0 0 "[ .]" 3
162 1 39 GLN HA 1 71 VAL HB 3.700 . 3.700 2.873 2.739 3.058 . 0 0 "[ .]" 3
163 1 39 GLN QG 1 71 VAL HB 3.350 . 3.350 2.867 2.500 3.234 . 0 0 "[ .]" 3
164 1 41 ILE HB 1 41 ILE QG 3.700 . 3.700 2.216 2.195 2.286 . 0 0 "[ .]" 3
165 1 42 GLN QG 1 43 ALA MB 5.500 . 5.500 4.161 3.503 4.459 . 0 0 "[ .]" 3
166 1 41 ILE HB 1 42 GLN HA 3.040 . 3.040 2.308 2.264 2.341 . 0 0 "[ .]" 3
167 1 39 GLN HA 1 42 GLN QG 4.510 . 4.510 2.228 1.996 2.610 . 0 0 "[ .]" 3
168 1 39 GLN HA 1 42 GLN QG 4.970 . 4.970 2.138 1.975 2.400 . 0 0 "[ .]" 3
169 1 41 ILE MG 1 44 SER QB 2.750 . 2.750 2.525 2.415 2.710 . 0 0 "[ .]" 3
170 1 46 ASN HA 1 63 SER QB 3.700 . 3.700 2.990 2.182 3.461 . 0 0 "[ .]" 3
171 1 4 SER HA 1 5 VAL MG2 5.500 . 5.500 2.749 2.702 2.777 . 0 0 "[ .]" 3
172 1 33 LEU HA 1 56 ARG HB2 4.970 . 4.970 2.251 2.009 2.688 . 0 0 "[ .]" 3
173 1 41 ILE QG 1 56 ARG QD 4.970 . 4.970 2.023 1.891 2.087 0.009 4 0 "[ .]" 3
174 1 50 THR MG 1 58 VAL HA 5.500 . 5.500 3.555 3.240 3.683 . 0 0 "[ .]" 3
175 1 31 VAL QG 1 58 VAL HB 4.080 . 4.080 2.638 1.999 3.419 . 0 0 "[ .]" 3
176 1 60 PRO HA 1 60 PRO HB3 3.040 . 3.040 2.297 2.295 2.299 . 0 0 "[ .]" 3
177 1 23 VAL MG1 1 24 SER QB 5.500 . 5.500 3.545 3.300 3.950 . 0 0 "[ .]" 3
178 1 33 LEU MD2 1 69 VAL HB 4.510 . 4.510 2.561 1.899 3.215 0.001 5 0 "[ .]" 3
179 1 42 GLN QB 1 64 GLY QA 5.500 . 5.500 2.970 2.195 3.764 . 0 0 "[ .]" 3
180 1 71 VAL HA 1 71 VAL HB 2.500 . 2.500 2.236 2.129 2.325 . 0 0 "[ .]" 3
181 1 16 ARG HB3 1 71 VAL HA 5.500 . 5.500 4.257 4.160 4.370 . 0 0 "[ .]" 3
182 1 16 ARG QD 1 72 MET HA 5.500 . 5.500 2.477 2.152 3.016 . 0 0 "[ .]" 3
183 1 71 VAL HB 1 72 MET HB2 4.970 . 4.970 3.584 3.432 3.789 . 0 0 "[ .]" 3
184 1 42 GLN QB 1 71 VAL HA 4.080 . 4.080 2.526 2.475 2.633 . 0 0 "[ .]" 3
185 1 35 LEU HB3 1 71 VAL HA 5.500 . 5.500 2.682 2.126 2.872 . 0 0 "[ .]" 3
186 1 39 GLN HB3 1 71 VAL HA 3.350 . 3.350 2.084 1.897 2.736 0.003 5 0 "[ .]" 3
187 1 73 LYS HB2 1 73 LYS QE 5.500 . 5.500 2.148 2.085 2.178 . 0 0 "[ .]" 3
188 1 73 LYS HB3 1 75 GLY HA3 5.500 . 5.500 4.331 4.037 4.466 . 0 0 "[ .]" 3
189 1 36 ASN QB 1 37 GLY QA 5.500 . 5.500 3.361 2.782 3.813 . 0 0 "[ .]" 3
190 1 37 GLY QA 1 39 GLN QG 5.500 . 5.500 2.496 2.063 3.205 . 0 0 "[ .]" 3
191 1 73 LYS QE 1 75 GLY HA3 5.500 . 5.500 2.785 1.992 3.348 . 0 0 "[ .]" 3
192 1 28 ALA MB 1 80 PRO HD2 3.040 . 3.040 2.451 2.421 2.520 . 0 0 "[ .]" 3
193 1 37 GLY QA 1 39 GLN HB2 5.500 . 5.500 2.193 2.188 2.197 . 0 0 "[ .]" 3
194 1 39 GLN HA 1 71 VAL MG2 4.080 . 4.080 2.355 2.146 2.552 . 0 0 "[ .]" 3
195 1 35 LEU HA 1 80 PRO HD3 2.750 . 2.750 2.053 2.025 2.094 . 0 0 "[ .]" 3
196 1 39 GLN HA 1 39 GLN HB2 4.080 . 4.080 2.162 2.159 2.165 . 0 0 "[ .]" 3
197 1 33 LEU HB2 1 82 ALA HA 4.970 . 4.970 3.331 3.207 3.517 . 0 0 "[ .]" 3
198 1 56 ARG H 1 56 ARG HB2 3.350 . 3.350 2.573 2.280 2.732 . 0 0 "[ .]" 3
199 1 4 SER QB 1 68 GLY HA3 5.500 . 5.500 2.795 1.914 3.340 . 0 0 "[ .]" 3
200 1 9 ARG HB3 1 9 ARG QG 4.510 . 4.510 2.282 1.904 2.500 . 0 0 "[ .]" 3
201 1 31 VAL QG 1 58 VAL MG1 4.970 . 4.970 2.754 2.429 3.348 . 0 0 "[ .]" 3
202 1 31 VAL QG 1 58 VAL MG2 3.040 . 3.040 2.095 1.901 2.384 . 0 0 "[ .]" 3
203 1 5 VAL MG2 1 39 GLN QG 4.510 . 4.510 1.905 1.888 1.954 0.012 5 0 "[ .]" 3
204 1 35 LEU QD 1 40 THR HA 3.700 . 3.700 2.732 2.266 3.076 . 0 0 "[ .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 0.968
_Distance_constraint_stats_list.Viol_max 0.035
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0097
_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 6 THR 0.006 0.004 4 0 "[ .]"
1 8 THR 0.000 0.000 4 0 "[ .]"
1 11 GLU 0.000 0.000 . 0 "[ .]"
1 13 TRP 0.000 0.000 . 0 "[ .]"
1 15 ASP 0.000 0.000 . 0 "[ .]"
1 16 ARG 0.000 0.000 . 0 "[ .]"
1 17 PHE 0.007 0.007 3 0 "[ .]"
1 18 ASN 0.000 0.000 . 0 "[ .]"
1 19 VAL 0.004 0.004 3 0 "[ .]"
1 20 THR 0.000 0.000 4 0 "[ .]"
1 21 TYR 0.000 0.000 . 0 "[ .]"
1 22 SER 0.006 0.004 4 0 "[ .]"
1 23 VAL 0.002 0.002 2 0 "[ .]"
1 31 VAL 0.000 0.000 . 0 "[ .]"
1 32 ASN 0.136 0.035 3 0 "[ .]"
1 33 LEU 0.000 0.000 . 0 "[ .]"
1 34 ALA 0.030 0.015 4 0 "[ .]"
1 40 THR 0.000 0.000 . 0 "[ .]"
1 43 ALA 0.002 0.002 3 0 "[ .]"
1 45 TRP 0.001 0.001 1 0 "[ .]"
1 48 ASN 0.000 0.000 . 0 "[ .]"
1 50 THR 0.006 0.005 2 0 "[ .]"
1 56 ARG 0.000 0.000 . 0 "[ .]"
1 57 THR 0.006 0.005 2 0 "[ .]"
1 58 VAL 0.000 0.000 . 0 "[ .]"
1 59 THR 0.000 0.000 . 0 "[ .]"
1 65 ASN 0.002 0.002 2 0 "[ .]"
1 67 PHE 0.000 0.000 . 0 "[ .]"
1 68 GLY 0.001 0.001 1 0 "[ .]"
1 69 VAL 0.004 0.004 3 0 "[ .]"
1 70 THR 0.002 0.002 3 0 "[ .]"
1 71 VAL 0.007 0.007 3 0 "[ .]"
1 72 MET 0.000 0.000 . 0 "[ .]"
1 73 LYS 0.000 0.000 . 0 "[ .]"
1 81 ALA 0.030 0.015 4 0 "[ .]"
1 83 THR 0.136 0.035 3 0 "[ .]"
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 6 THR H 1 22 SER O 2.300 . 2.500 2.197 2.097 2.363 . 0 0 "[ .]" 4
2 1 6 THR N 1 22 SER O 3.300 2.500 3.500 2.973 2.903 3.048 . 0 0 "[ .]" 4
3 1 13 TRP H 1 16 ARG O 2.300 . 2.500 2.398 2.274 2.498 . 0 0 "[ .]" 4
4 1 13 TRP N 1 16 ARG O 3.300 2.500 3.500 3.146 3.060 3.245 . 0 0 "[ .]" 4
5 1 17 PHE H 1 71 VAL O 2.300 . 2.500 2.224 2.140 2.397 . 0 0 "[ .]" 4
6 1 17 PHE N 1 71 VAL O 3.300 2.500 3.500 3.109 3.047 3.291 . 0 0 "[ .]" 4
7 1 11 GLU O 1 18 ASN H 2.300 . 2.500 2.229 2.112 2.431 . 0 0 "[ .]" 4
8 1 11 GLU O 1 18 ASN N 3.300 2.500 3.500 3.179 3.044 3.407 . 0 0 "[ .]" 4
9 1 19 VAL H 1 69 VAL O 2.300 . 2.500 2.299 2.152 2.390 . 0 0 "[ .]" 4
10 1 19 VAL N 1 69 VAL O 3.300 2.500 3.500 3.146 3.044 3.309 . 0 0 "[ .]" 4
11 1 8 THR O 1 20 THR H 2.300 . 2.500 2.294 2.105 2.500 0.000 4 0 "[ .]" 4
12 1 8 THR O 1 20 THR N 3.300 2.500 3.500 3.102 2.981 3.279 . 0 0 "[ .]" 4
13 1 21 TYR H 1 67 PHE O 2.300 . 2.500 2.319 2.189 2.451 . 0 0 "[ .]" 4
14 1 21 TYR N 1 67 PHE O 3.300 2.500 3.500 2.974 2.843 3.094 . 0 0 "[ .]" 4
15 1 6 THR O 1 22 SER H 2.300 . 2.500 2.366 2.097 2.504 0.004 4 0 "[ .]" 4
16 1 6 THR O 1 22 SER N 3.300 2.500 3.500 3.100 3.038 3.179 . 0 0 "[ .]" 4
17 1 23 VAL H 1 65 ASN O 2.300 . 2.500 2.391 2.106 2.502 0.002 2 0 "[ .]" 4
18 1 23 VAL N 1 65 ASN O 3.300 2.500 3.500 3.226 3.003 3.441 . 0 0 "[ .]" 4
19 1 32 ASN H 1 83 THR O 2.300 . 2.500 2.267 2.102 2.510 0.010 5 0 "[ .]" 4
20 1 32 ASN N 1 83 THR O 3.300 2.500 3.500 3.163 2.953 3.400 . 0 0 "[ .]" 4
21 1 33 LEU H 1 56 ARG O 2.300 . 2.500 2.137 2.087 2.303 . 0 0 "[ .]" 4
22 1 33 LEU N 1 56 ARG O 3.300 2.500 3.500 2.953 2.713 3.242 . 0 0 "[ .]" 4
23 1 34 ALA H 1 81 ALA O 2.300 . 2.500 2.428 2.282 2.515 0.015 4 0 "[ .]" 4
24 1 34 ALA N 1 81 ALA O 3.300 2.500 3.500 3.206 2.815 3.382 . 0 0 "[ .]" 4
25 1 45 TRP H 1 68 GLY O 2.300 . 2.500 2.414 2.259 2.494 . 0 0 "[ .]" 4
26 1 45 TRP N 1 68 GLY O 3.300 2.500 3.500 3.343 3.190 3.426 . 0 0 "[ .]" 4
27 1 48 ASN H 1 59 THR O 2.300 . 2.500 2.192 2.104 2.455 . 0 0 "[ .]" 4
28 1 48 ASN N 1 59 THR O 3.300 2.500 3.500 3.152 3.054 3.417 . 0 0 "[ .]" 4
29 1 50 THR H 1 57 THR O 2.300 . 2.500 2.407 2.340 2.505 0.005 2 0 "[ .]" 4
30 1 50 THR N 1 57 THR O 3.300 2.500 3.500 3.259 3.136 3.335 . 0 0 "[ .]" 4
31 1 33 LEU O 1 56 ARG H 2.300 . 2.500 2.115 2.093 2.189 . 0 0 "[ .]" 4
32 1 33 LEU O 1 56 ARG N 3.300 2.500 3.500 2.830 2.654 3.166 . 0 0 "[ .]" 4
33 1 50 THR O 1 57 THR H 2.300 . 2.500 2.422 2.340 2.501 0.001 1 0 "[ .]" 4
34 1 50 THR O 1 57 THR N 3.300 2.500 3.500 3.134 2.777 3.321 . 0 0 "[ .]" 4
35 1 31 VAL O 1 58 VAL H 2.300 . 2.500 2.387 2.250 2.491 . 0 0 "[ .]" 4
36 1 31 VAL O 1 58 VAL N 3.300 2.500 3.500 2.857 2.733 3.029 . 0 0 "[ .]" 4
37 1 21 TYR O 1 67 PHE H 2.300 . 2.500 2.231 2.153 2.300 . 0 0 "[ .]" 4
38 1 21 TYR O 1 67 PHE N 3.300 2.500 3.500 3.034 2.867 3.114 . 0 0 "[ .]" 4
39 1 45 TRP O 1 68 GLY H 2.300 . 2.500 2.478 2.425 2.501 0.001 1 0 "[ .]" 4
40 1 45 TRP O 1 68 GLY N 3.300 2.500 3.500 3.287 3.241 3.364 . 0 0 "[ .]" 4
41 1 19 VAL O 1 69 VAL H 2.300 . 2.500 2.332 2.118 2.504 0.004 3 0 "[ .]" 4
42 1 19 VAL O 1 69 VAL N 3.300 2.500 3.500 3.226 2.992 3.377 . 0 0 "[ .]" 4
43 1 43 ALA O 1 70 THR H 2.300 . 2.500 2.325 2.164 2.502 0.002 3 0 "[ .]" 4
44 1 43 ALA O 1 70 THR N 3.300 2.500 3.500 3.217 3.109 3.355 . 0 0 "[ .]" 4
45 1 17 PHE O 1 71 VAL H 2.300 . 2.500 2.441 2.242 2.507 0.007 3 0 "[ .]" 4
46 1 17 PHE O 1 71 VAL N 3.300 2.500 3.500 3.281 3.182 3.413 . 0 0 "[ .]" 4
47 1 40 THR O 1 72 MET H 2.300 . 2.500 2.394 2.287 2.499 . 0 0 "[ .]" 4
48 1 40 THR O 1 72 MET N 3.300 2.500 3.500 3.193 3.144 3.311 . 0 0 "[ .]" 4
49 1 15 ASP O 1 73 LYS H 2.300 . 2.500 2.282 2.118 2.499 . 0 0 "[ .]" 4
50 1 15 ASP O 1 73 LYS N 3.300 2.500 3.500 3.187 2.925 3.437 . 0 0 "[ .]" 4
51 1 32 ASN O 1 83 THR H 2.300 . 2.500 2.525 2.506 2.535 0.035 3 0 "[ .]" 4
52 1 32 ASN O 1 83 THR N 3.300 2.500 3.500 3.209 3.162 3.283 . 0 0 "[ .]" 4
stop_
save_
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