Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485665 | 2k62 RC | 15854 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k62
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 126
_Distance_constraint_stats_list.Viol_count 150
_Distance_constraint_stats_list.Viol_total 562.723
_Distance_constraint_stats_list.Viol_max 2.578
_Distance_constraint_stats_list.Viol_rms 0.3117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0911
_Distance_constraint_stats_list.Viol_average_violations_only 0.5359
_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 2 PHE 11.228 2.578 4 7 [-**+***]
1 3 SER 4.131 1.460 4 2 "[ - +. ]"
1 4 GLY 4.142 1.403 3 4 "[ *+*- ]"
1 5 THR 0.000 0.000 . 0 "[ . ]"
1 6 TRP 0.000 0.000 . 0 "[ . ]"
1 7 GLN 0.000 0.000 . 0 "[ . ]"
1 8 VAL 0.000 0.000 . 0 "[ . ]"
1 9 TYR 2.412 0.562 5 2 "[ -+ ]"
1 10 ALA 1.577 0.562 5 1 "[ + ]"
1 12 GLU 9.582 1.718 7 7 [*****-+]
1 13 ASN 2.790 0.662 3 3 "[- + .* ]"
1 14 TYR 0.339 0.261 2 0 "[ . ]"
1 15 GLU 3.466 0.662 3 3 "[- + .* ]"
1 16 GLU 0.000 0.000 . 0 "[ . ]"
1 17 PHE 3.082 0.506 7 1 "[ . +]"
1 18 LEU 0.153 0.056 1 0 "[ . ]"
1 19 LYS 0.000 0.000 . 0 "[ . ]"
1 20 ALA 2.221 0.506 7 1 "[ . +]"
1 21 LEU 4.108 0.928 5 5 "[ -*+**]"
1 22 ALA 4.291 0.928 5 5 "[ -*+**]"
1 23 LEU 0.183 0.183 5 0 "[ . ]"
1 25 GLU 0.000 0.000 . 0 "[ . ]"
1 26 ASP 0.000 0.000 . 0 "[ . ]"
1 27 LEU 0.864 0.266 4 0 "[ . ]"
1 28 ILE 0.000 0.000 . 0 "[ . ]"
1 29 LYS 0.873 0.266 4 0 "[ . ]"
1 30 MET 0.000 0.000 . 0 "[ . ]"
1 31 ALA 0.010 0.010 4 0 "[ . ]"
1 32 ARG 0.000 0.000 . 0 "[ . ]"
1 33 ASP 0.000 0.000 . 0 "[ . ]"
1 34 ILE 0.000 0.000 . 0 "[ . ]"
1 37 ILE 0.169 0.126 3 0 "[ . ]"
1 38 VAL 0.000 0.000 . 0 "[ . ]"
1 39 GLU 2.931 0.966 5 3 "[ - + *]"
1 40 ILE 0.000 0.000 . 0 "[ . ]"
1 41 GLN 0.273 0.204 6 0 "[ . ]"
1 42 GLN 19.500 2.578 4 7 [***+-**]
1 43 LYS 4.996 1.174 2 5 "[-+ *.**]"
1 45 ASP 0.000 0.000 . 0 "[ . ]"
1 46 ASP 4.996 1.174 2 5 "[-+ *.**]"
1 47 PHE 16.554 2.337 7 7 [*****-+]
1 48 VAL 1.018 0.294 2 0 "[ . ]"
1 49 VAL 0.000 0.000 . 0 "[ . ]"
1 50 THR 0.000 0.000 . 0 "[ . ]"
1 51 SER 2.931 0.966 5 3 "[ - + *]"
1 52 LYS 0.169 0.126 3 0 "[ . ]"
1 53 THR 1.486 1.255 1 1 "[+ . ]"
1 55 ARG 0.000 0.000 . 0 "[ . ]"
1 56 GLN 1.486 1.255 1 1 "[+ . ]"
1 57 THR 0.000 0.000 . 0 "[ . ]"
1 58 VAL 0.000 0.000 . 0 "[ . ]"
1 60 ASN 0.304 0.119 2 0 "[ . ]"
1 61 SER 17.048 2.337 7 7 [*****-+]
1 62 PHE 0.000 0.000 . 0 "[ . ]"
1 63 THR 0.034 0.034 2 0 "[ . ]"
1 64 LEU 1.333 0.435 3 0 "[ . ]"
1 65 GLY 0.000 0.000 . 0 "[ . ]"
1 66 LYS 0.000 0.000 . 0 "[ . ]"
1 68 ALA 0.559 0.559 7 1 "[ . +]"
1 69 ASP 2.304 0.799 6 1 "[ .+ ]"
1 70 ILE 0.005 0.005 1 0 "[ . ]"
1 71 THR 0.000 0.000 . 0 "[ . ]"
1 72 THR 0.377 0.377 1 0 "[ . ]"
1 74 ASP 0.000 0.000 . 0 "[ . ]"
1 75 GLY 0.000 0.000 . 0 "[ . ]"
1 76 LYS 0.377 0.377 1 0 "[ . ]"
1 77 LYS 0.134 0.069 1 0 "[ . ]"
1 78 LEU 0.138 0.069 1 0 "[ . ]"
1 79 LYS 0.000 0.000 . 0 "[ . ]"
1 80 CYS 0.559 0.559 7 1 "[ . +]"
1 81 THR 0.178 0.178 2 0 "[ . ]"
1 83 HIS 0.000 0.000 . 0 "[ . ]"
1 84 LEU 0.000 0.000 . 0 "[ . ]"
1 85 ALA 0.056 0.056 4 0 "[ . ]"
1 87 GLY 0.000 0.000 . 0 "[ . ]"
1 88 LYS 0.056 0.056 4 0 "[ . ]"
1 89 LEU 2.789 0.813 1 3 "[+- . *]"
1 90 VAL 0.000 0.000 . 0 "[ . ]"
1 91 THR 0.507 0.394 6 0 "[ . ]"
1 92 LYS 0.178 0.178 2 0 "[ . ]"
1 93 SER 0.000 0.000 . 0 "[ . ]"
1 96 PHE 0.000 0.000 . 0 "[ . ]"
1 97 SER 0.000 0.000 . 0 "[ . ]"
1 98 HIS 0.507 0.394 6 0 "[ . ]"
1 100 GLN 2.789 0.813 1 3 "[+- . *]"
1 102 VAL 0.000 0.000 . 0 "[ . ]"
1 103 LYS 0.000 0.000 . 0 "[ . ]"
1 106 GLU 0.000 0.000 . 0 "[ . ]"
1 107 MET 0.000 0.000 . 0 "[ . ]"
1 108 VAL 0.734 0.255 4 0 "[ . ]"
1 109 GLU 0.000 0.000 . 0 "[ . ]"
1 110 THR 0.000 0.000 . 0 "[ . ]"
1 111 ILE 0.000 0.000 . 0 "[ . ]"
1 112 THR 0.000 0.000 . 0 "[ . ]"
1 113 PHE 2.599 0.991 1 2 "[+ .- ]"
1 114 GLY 0.497 0.389 1 0 "[ . ]"
1 115 GLY 0.253 0.187 6 0 "[ . ]"
1 116 VAL 2.520 0.991 1 2 "[+ .- ]"
1 117 THR 0.830 0.577 1 1 "[+ . ]"
1 118 LEU 0.000 0.000 . 0 "[ . ]"
1 119 ILE 9.582 1.718 7 7 [*****-+]
1 120 ARG 0.000 0.000 . 0 "[ . ]"
1 122 SER 0.734 0.255 4 0 "[ . ]"
1 123 LYS 0.835 0.550 4 1 "[ +. ]"
1 124 ARG 0.000 0.000 . 0 "[ . ]"
1 125 VAL 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 2 PHE H 1 42 GLN H 3.650 . 5.500 7.104 6.651 8.078 2.578 4 7 [-**+***] 1
2 1 3 SER H 1 4 GLY H 3.345 . 4.890 4.526 4.302 4.618 . 0 0 "[ . ]" 1
3 1 3 SER H 1 42 GLN H 3.460 . 5.120 5.693 4.998 6.580 1.460 4 2 "[ - +. ]" 1
4 1 4 GLY H 1 5 THR H 3.205 . 4.610 4.370 4.324 4.401 . 0 0 "[ . ]" 1
5 1 4 GLY H 1 40 ILE H 2.595 . 3.390 2.903 2.711 3.032 . 0 0 "[ . ]" 1
6 1 4 GLY H 1 42 GLN H 3.650 . 5.500 6.047 5.258 6.903 1.403 3 4 "[ *+*- ]" 1
7 1 5 THR H 1 6 TRP H 3.190 . 4.580 4.256 4.116 4.392 . 0 0 "[ . ]" 1
8 1 5 THR H 1 6 TRP HE1 3.600 . 5.400 5.037 4.828 5.221 . 0 0 "[ . ]" 1
9 1 6 TRP H 1 7 GLN H 3.215 . 4.630 4.468 4.397 4.532 . 0 0 "[ . ]" 1
10 1 7 GLN H 1 123 LYS H 2.700 . 3.600 2.876 2.676 3.145 . 0 0 "[ . ]" 1
11 1 7 GLN H 1 125 VAL H 3.450 . 5.100 2.691 2.411 3.303 . 0 0 "[ . ]" 1
12 1 8 VAL H 1 9 TYR H 3.625 . 5.450 4.452 4.254 4.596 . 0 0 "[ . ]" 1
13 1 8 VAL H 1 38 VAL H 3.650 . 5.500 4.139 3.499 4.567 . 0 0 "[ . ]" 1
14 1 9 TYR H 1 10 ALA H 2.790 . 3.780 3.550 2.035 4.342 0.562 5 1 "[ + ]" 1
15 1 9 TYR H 1 123 LYS H 3.255 . 4.710 4.603 4.079 5.260 0.550 4 1 "[ +. ]" 1
16 1 12 GLU H 1 119 ILE H 2.795 . 3.790 5.159 4.632 5.508 1.718 7 7 [*****-+] 1
17 1 13 ASN H 1 14 TYR H 2.700 . 3.600 2.625 2.527 2.709 . 0 0 "[ . ]" 1
18 1 13 ASN H 1 15 GLU H 3.170 . 4.540 4.939 4.605 5.202 0.662 3 3 "[- + .* ]" 1
19 1 14 TYR H 1 15 GLU H 2.630 . 3.460 2.991 2.913 3.119 . 0 0 "[ . ]" 1
20 1 14 TYR H 1 17 PHE H 3.595 . 5.390 5.197 4.840 5.651 0.261 2 0 "[ . ]" 1
21 1 15 GLU H 1 17 PHE H 3.235 . 4.670 4.707 4.475 5.020 0.350 3 0 "[ . ]" 1
22 1 16 GLU H 1 17 PHE H 2.665 . 3.530 2.695 2.461 2.818 . 0 0 "[ . ]" 1
23 1 16 GLU H 1 18 LEU H 3.615 . 5.430 3.772 3.451 3.970 . 0 0 "[ . ]" 1
24 1 17 PHE H 1 19 LYS H 3.650 . 5.500 4.415 4.229 4.757 . 0 0 "[ . ]" 1
25 1 17 PHE H 1 20 ALA H 3.395 . 4.990 5.285 5.070 5.496 0.506 7 1 "[ . +]" 1
26 1 18 LEU H 1 19 LYS H 2.670 . 3.540 2.825 2.745 2.916 . 0 0 "[ . ]" 1
27 1 18 LEU H 1 20 ALA H 2.945 . 4.090 4.014 3.866 4.146 0.056 1 0 "[ . ]" 1
28 1 19 LYS H 1 20 ALA H 2.505 . 3.210 2.700 2.506 2.822 . 0 0 "[ . ]" 1
29 1 20 ALA H 1 21 LEU H 2.545 . 3.290 2.221 2.001 2.472 . 0 0 "[ . ]" 1
30 1 21 LEU H 1 22 ALA H 2.535 . 3.270 3.803 2.891 4.198 0.928 5 5 "[ -*+**]" 1
31 1 21 LEU H 1 23 LEU H 3.605 . 5.410 3.248 2.954 3.460 . 0 0 "[ . ]" 1
32 1 22 ALA H 1 23 LEU H 2.560 . 3.320 2.922 2.163 3.503 0.183 5 0 "[ . ]" 1
33 1 25 GLU H 1 26 ASP H 2.745 . 3.690 3.409 3.099 3.551 . 0 0 "[ . ]" 1
34 1 25 GLU H 1 27 LEU H 3.650 . 5.500 3.703 3.473 3.873 . 0 0 "[ . ]" 1
35 1 26 ASP H 1 27 LEU H 2.555 . 3.310 2.765 2.593 2.859 . 0 0 "[ . ]" 1
36 1 26 ASP H 1 28 ILE H 3.220 . 4.640 4.267 4.147 4.426 . 0 0 "[ . ]" 1
37 1 27 LEU H 1 28 ILE H 2.445 . 3.090 2.734 2.620 2.858 . 0 0 "[ . ]" 1
38 1 27 LEU H 1 29 LYS H 3.290 . 4.780 4.875 4.679 5.046 0.266 4 0 "[ . ]" 1
39 1 28 ILE H 1 29 LYS H 2.435 . 3.070 2.634 2.537 2.734 . 0 0 "[ . ]" 1
40 1 28 ILE H 1 30 MET H 3.160 . 4.520 3.938 3.759 4.032 . 0 0 "[ . ]" 1
41 1 29 LYS H 1 30 MET H 2.580 . 3.360 2.537 2.400 2.624 . 0 0 "[ . ]" 1
42 1 29 LYS H 1 31 ALA H 3.120 . 4.440 4.248 4.041 4.450 0.010 4 0 "[ . ]" 1
43 1 30 MET H 1 31 ALA H 2.475 . 3.150 2.530 2.414 2.671 . 0 0 "[ . ]" 1
44 1 30 MET H 1 32 ARG H 3.135 . 4.470 4.070 3.989 4.138 . 0 0 "[ . ]" 1
45 1 31 ALA H 1 32 ARG H 2.465 . 3.130 2.722 2.606 2.860 . 0 0 "[ . ]" 1
46 1 33 ASP H 1 34 ILE H 2.555 . 3.310 2.261 2.094 2.379 . 0 0 "[ . ]" 1
47 1 37 ILE H 1 38 VAL H 3.650 . 5.500 4.482 4.398 4.608 . 0 0 "[ . ]" 1
48 1 37 ILE H 1 52 LYS H 2.940 . 4.080 3.779 3.326 4.206 0.126 3 0 "[ . ]" 1
49 1 38 VAL H 1 39 GLU H 3.190 . 4.580 4.226 3.937 4.418 . 0 0 "[ . ]" 1
50 1 39 GLU H 1 51 SER H 3.650 . 5.500 5.913 5.458 6.466 0.966 5 3 "[ - + *]" 1
51 1 40 ILE H 1 41 GLN H 3.225 . 4.650 4.394 4.328 4.478 . 0 0 "[ . ]" 1
52 1 41 GLN H 1 42 GLN H 3.245 . 4.690 4.345 4.183 4.440 . 0 0 "[ . ]" 1
53 1 41 GLN H 1 48 VAL H 2.565 . 3.330 3.276 3.105 3.534 0.204 6 0 "[ . ]" 1
54 1 42 GLN H 1 43 LYS H 3.460 . 5.120 4.374 4.215 4.529 . 0 0 "[ . ]" 1
55 1 43 LYS H 1 46 ASP H 2.425 . 3.050 3.764 3.378 4.224 1.174 2 5 "[-+ *.**]" 1
56 1 45 ASP H 1 46 ASP H 2.490 . 3.180 2.147 2.035 2.279 . 0 0 "[ . ]" 1
57 1 46 ASP H 1 47 PHE H 3.225 . 4.650 4.514 4.464 4.574 . 0 0 "[ . ]" 1
58 1 47 PHE H 1 48 VAL H 3.030 . 4.260 4.358 4.203 4.554 0.294 2 0 "[ . ]" 1
59 1 47 PHE H 1 61 SER H 3.130 . 4.460 6.528 6.137 6.797 2.337 7 7 [*****-+] 1
60 1 47 PHE H 1 62 PHE H 2.695 . 3.590 2.727 2.436 2.955 . 0 0 "[ . ]" 1
61 1 47 PHE H 1 64 LEU H 3.135 . 4.470 4.583 4.233 4.905 0.435 3 0 "[ . ]" 1
62 1 48 VAL H 1 49 VAL H 3.150 . 4.500 4.322 4.207 4.398 . 0 0 "[ . ]" 1
63 1 49 VAL H 1 50 THR H 3.260 . 4.720 4.340 4.215 4.430 . 0 0 "[ . ]" 1
64 1 49 VAL H 1 61 SER H 3.650 . 5.500 4.871 4.734 5.013 . 0 0 "[ . ]" 1
65 1 50 THR H 1 51 SER H 3.210 . 4.620 4.426 4.382 4.484 . 0 0 "[ . ]" 1
66 1 51 SER H 1 58 VAL H 2.745 . 3.690 3.106 2.938 3.432 . 0 0 "[ . ]" 1
67 1 53 THR H 1 56 GLN H 2.875 . 3.950 4.035 3.525 5.205 1.255 1 1 "[+ . ]" 1
68 1 55 ARG H 1 56 GLN H 2.615 . 3.430 2.109 1.808 2.596 . 0 0 "[ . ]" 1
69 1 56 GLN H 1 57 THR H 3.365 . 4.930 4.349 3.892 4.487 . 0 0 "[ . ]" 1
70 1 57 THR H 1 58 VAL H 3.650 . 5.500 4.273 3.959 4.604 . 0 0 "[ . ]" 1
71 1 60 ASN H 1 61 SER H 3.115 . 4.430 4.446 4.276 4.549 0.119 2 0 "[ . ]" 1
72 1 61 SER H 1 62 PHE H 3.190 . 4.580 4.014 3.856 4.122 . 0 0 "[ . ]" 1
73 1 61 SER H 1 69 ASP H 3.650 . 5.500 5.785 5.226 6.299 0.799 6 1 "[ .+ ]" 1
74 1 62 PHE H 1 63 THR H 3.135 . 4.470 4.394 4.290 4.451 . 0 0 "[ . ]" 1
75 1 63 THR H 1 64 LEU H 3.650 . 5.500 4.474 4.350 4.548 . 0 0 "[ . ]" 1
76 1 63 THR H 1 69 ASP H 3.650 . 5.500 4.949 4.552 5.534 0.034 2 0 "[ . ]" 1
77 1 65 GLY H 1 66 LYS H 2.775 . 3.750 2.492 2.209 2.927 . 0 0 "[ . ]" 1
78 1 65 GLY H 1 84 LEU H 3.560 . 5.320 4.076 3.780 4.308 . 0 0 "[ . ]" 1
79 1 68 ALA H 1 69 ASP H 3.310 . 4.820 4.424 4.368 4.449 . 0 0 "[ . ]" 1
80 1 68 ALA H 1 80 CYS H 2.690 . 3.580 3.409 3.039 4.139 0.559 7 1 "[ . +]" 1
81 1 69 ASP H 1 70 ILE H 3.220 . 4.640 4.328 4.070 4.489 . 0 0 "[ . ]" 1
82 1 70 ILE H 1 71 THR H 3.315 . 4.830 4.234 3.955 4.448 . 0 0 "[ . ]" 1
83 1 70 ILE H 1 78 LEU H 2.560 . 3.320 3.048 2.825 3.325 0.005 1 0 "[ . ]" 1
84 1 71 THR H 1 72 THR H 3.445 . 5.090 4.109 3.924 4.397 . 0 0 "[ . ]" 1
85 1 72 THR H 1 75 GLY H 3.275 . 4.750 4.407 4.091 4.700 . 0 0 "[ . ]" 1
86 1 72 THR H 1 76 LYS H 2.955 . 4.110 3.918 3.458 4.487 0.377 1 0 "[ . ]" 1
87 1 74 ASP H 1 75 GLY H 2.665 . 3.530 2.545 2.285 2.670 . 0 0 "[ . ]" 1
88 1 74 ASP H 1 76 LYS H 3.380 . 4.960 3.803 3.625 4.004 . 0 0 "[ . ]" 1
89 1 75 GLY H 1 76 LYS H 2.570 . 3.340 2.307 2.104 2.483 . 0 0 "[ . ]" 1
90 1 76 LYS H 1 77 LYS H 3.240 . 4.680 4.420 4.287 4.557 . 0 0 "[ . ]" 1
91 1 77 LYS H 1 78 LEU H 3.150 . 4.500 4.478 4.282 4.569 0.069 1 0 "[ . ]" 1
92 1 78 LEU H 1 79 LYS H 3.640 . 5.480 4.274 3.816 4.446 . 0 0 "[ . ]" 1
93 1 81 THR H 1 92 LYS H 3.650 . 5.500 4.929 4.643 5.678 0.178 2 0 "[ . ]" 1
94 1 83 HIS H 1 90 VAL H 3.055 . 4.310 3.379 3.051 3.947 . 0 0 "[ . ]" 1
95 1 84 LEU H 1 85 ALA H 3.650 . 5.500 4.273 4.130 4.420 . 0 0 "[ . ]" 1
96 1 85 ALA H 1 87 GLY H 3.650 . 5.500 3.879 3.551 4.209 . 0 0 "[ . ]" 1
97 1 85 ALA H 1 88 LYS H 2.680 . 3.560 3.238 2.889 3.616 0.056 4 0 "[ . ]" 1
98 1 87 GLY H 1 88 LYS H 2.740 . 3.680 2.609 2.463 2.876 . 0 0 "[ . ]" 1
99 1 88 LYS H 1 89 LEU H 3.350 . 4.900 4.425 4.305 4.530 . 0 0 "[ . ]" 1
100 1 89 LEU H 1 100 GLN H 3.025 . 4.250 4.577 3.932 5.063 0.813 1 3 "[+- . *]" 1
101 1 91 THR H 1 92 LYS H 3.650 . 5.500 4.263 4.158 4.349 . 0 0 "[ . ]" 1
102 1 91 THR H 1 98 HIS H 2.825 . 3.850 3.819 3.513 4.244 0.394 6 0 "[ . ]" 1
103 1 92 LYS H 1 93 SER H 3.560 . 5.320 4.168 3.762 4.294 . 0 0 "[ . ]" 1
104 1 93 SER H 1 96 PHE H 3.055 . 4.310 3.089 2.924 3.325 . 0 0 "[ . ]" 1
105 1 96 PHE H 1 97 SER H 3.610 . 5.420 4.186 4.048 4.286 . 0 0 "[ . ]" 1
106 1 97 SER H 1 112 THR H 2.920 . 4.040 2.938 2.517 3.714 . 0 0 "[ . ]" 1
107 1 102 VAL H 1 103 LYS H 3.220 . 4.640 4.249 4.141 4.363 . 0 0 "[ . ]" 1
108 1 103 LYS H 1 106 GLU H 2.625 . 3.450 3.197 2.991 3.393 . 0 0 "[ . ]" 1
109 1 106 GLU H 1 107 MET H 3.455 . 5.110 4.380 4.258 4.477 . 0 0 "[ . ]" 1
110 1 107 MET H 1 108 VAL H 3.375 . 4.950 4.190 4.031 4.363 . 0 0 "[ . ]" 1
111 1 107 MET H 1 122 SER H 2.770 . 3.740 3.198 2.910 3.476 . 0 0 "[ . ]" 1
112 1 107 MET H 1 123 LYS H 3.600 . 5.400 4.917 4.835 5.064 . 0 0 "[ . ]" 1
113 1 108 VAL H 1 122 SER H 3.260 . 4.720 4.823 4.708 4.975 0.255 4 0 "[ . ]" 1
114 1 109 GLU H 1 110 THR H 3.195 . 4.590 4.406 4.201 4.546 . 0 0 "[ . ]" 1
115 1 109 GLU H 1 120 ARG H 2.910 . 4.020 3.183 3.014 3.445 . 0 0 "[ . ]" 1
116 1 110 THR H 1 111 ILE H 3.220 . 4.640 4.317 3.789 4.524 . 0 0 "[ . ]" 1
117 1 113 PHE H 1 114 GLY H 3.325 . 4.850 4.180 3.846 4.408 . 0 0 "[ . ]" 1
118 1 113 PHE H 1 115 GLY H 3.650 . 5.500 4.276 3.648 5.185 . 0 0 "[ . ]" 1
119 1 113 PHE H 1 116 VAL H 2.730 . 3.660 3.776 3.236 4.651 0.991 1 2 "[+ .- ]" 1
120 1 113 PHE H 1 117 THR H 3.390 . 4.980 5.030 4.825 5.557 0.577 1 1 "[+ . ]" 1
121 1 114 GLY H 1 116 VAL H 3.460 . 5.120 4.839 4.243 5.509 0.389 1 0 "[ . ]" 1
122 1 115 GLY H 1 116 VAL H 2.685 . 3.570 2.015 1.613 2.513 0.187 6 0 "[ . ]" 1
123 1 116 VAL H 1 117 THR H 3.260 . 4.720 4.472 4.359 4.569 . 0 0 "[ . ]" 1
124 1 118 LEU H 1 119 ILE H 3.345 . 4.890 4.507 4.451 4.557 . 0 0 "[ . ]" 1
125 1 119 ILE H 1 120 ARG H 3.505 . 5.210 4.208 4.089 4.365 . 0 0 "[ . ]" 1
126 1 123 LYS H 1 124 ARG H 3.390 . 4.980 4.460 4.401 4.507 . 0 0 "[ . ]" 1
stop_
save_