NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485014 |
2jvv   |
15490 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jvv
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 449
_Distance_constraint_stats_list.Viol_count 184
_Distance_constraint_stats_list.Viol_total 366.834
_Distance_constraint_stats_list.Viol_max 0.818
_Distance_constraint_stats_list.Viol_rms 0.0279
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0997
_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
1 123 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 PRO 0.686 0.686 16 1 "[ . 1 .+ 2]"
1 125 LYS 0.812 0.686 16 1 "[ . 1 .+ 2]"
1 126 THR 0.102 0.065 19 0 "[ . 1 . 2]"
1 127 LEU 0.044 0.044 16 0 "[ . 1 . 2]"
1 128 PHE 0.028 0.010 15 0 "[ . 1 . 2]"
1 129 GLU 0.053 0.053 3 0 "[ . 1 . 2]"
1 130 PRO 0.053 0.053 3 0 "[ . 1 . 2]"
1 131 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 GLU 0.028 0.011 11 0 "[ . 1 . 2]"
1 133 MET 3.172 0.390 6 0 "[ . 1 . 2]"
1 134 VAL 0.310 0.022 11 0 "[ . 1 . 2]"
1 135 ARG 0.894 0.355 17 0 "[ . 1 . 2]"
1 136 VAL 0.009 0.004 8 0 "[ . 1 . 2]"
1 137 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 139 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 PHE 0.600 0.600 20 1 "[ . 1 . +]"
1 142 ALA 0.003 0.003 2 0 "[ . 1 . 2]"
1 143 ASP 0.003 0.003 8 0 "[ . 1 . 2]"
1 144 PHE 0.830 0.392 13 0 "[ . 1 . 2]"
1 145 ASN 0.610 0.355 17 0 "[ . 1 . 2]"
1 146 GLY 0.026 0.006 20 0 "[ . 1 . 2]"
1 147 VAL 0.013 0.006 8 0 "[ . 1 . 2]"
1 148 VAL 0.023 0.011 11 0 "[ . 1 . 2]"
1 149 GLU 2.589 0.398 10 0 "[ . 1 . 2]"
1 150 GLU 3.316 0.695 7 2 "[ . + 1- . 2]"
1 151 VAL 0.013 0.008 7 0 "[ . 1 . 2]"
1 152 ASP 0.003 0.002 2 0 "[ . 1 . 2]"
1 153 TYR 0.028 0.010 9 0 "[ . 1 . 2]"
1 154 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 SER 0.017 0.005 3 0 "[ . 1 . 2]"
1 157 ARG 2.739 0.818 2 2 "[ + - 1 . 2]"
1 158 LEU 0.313 0.050 15 0 "[ . 1 . 2]"
1 159 LYS 3.297 0.695 7 2 "[ . + 1- . 2]"
1 160 VAL 2.569 0.398 10 0 "[ . 1 . 2]"
1 161 SER 0.001 0.001 9 0 "[ . 1 . 2]"
1 162 VAL 0.838 0.392 13 0 "[ . 1 . 2]"
1 163 SER 0.814 0.653 6 1 "[ .+ 1 . 2]"
1 164 ILE 0.761 0.600 20 1 "[ . 1 . +]"
1 165 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 GLY 2.077 0.490 16 0 "[ . 1 . 2]"
1 167 ARG 0.272 0.073 19 0 "[ . 1 . 2]"
1 168 ALA 0.013 0.008 13 0 "[ . 1 . 2]"
1 169 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 171 VAL 0.016 0.010 19 0 "[ . 1 . 2]"
1 172 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 173 LEU 0.000 0.000 20 0 "[ . 1 . 2]"
1 174 ASP 2.723 0.818 2 2 "[ + - 1 . 2]"
1 175 PHE 0.325 0.050 15 0 "[ . 1 . 2]"
1 176 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 177 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 178 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 179 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 180 LYS 0.018 0.014 20 0 "[ . 1 . 2]"
1 181 ALA 3.161 0.390 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 134 VAL HA 1 181 ALA H 0.000 . 4.000 2.461 2.235 2.898 . 0 0 "[ . 1 . 2]" 1
2 1 180 LYS HA 1 181 ALA H 0.000 . 3.000 2.238 2.206 2.281 . 0 0 "[ . 1 . 2]" 1
3 1 134 VAL HA 1 181 ALA MB 0.000 . 4.000 2.957 2.395 3.643 . 0 0 "[ . 1 . 2]" 1
4 1 133 MET HG3 1 181 ALA MB 0.000 . 5.000 3.805 3.273 4.006 . 0 0 "[ . 1 . 2]" 1
5 1 133 MET HG2 1 181 ALA MB 0.000 . 4.000 3.748 1.857 4.390 0.390 6 0 "[ . 1 . 2]" 1
6 1 133 MET QB 1 181 ALA MB 0.000 . 3.000 1.996 1.701 2.568 . 0 0 "[ . 1 . 2]" 1
7 1 180 LYS H 1 181 ALA H 0.000 . 5.000 4.630 4.579 4.669 . 0 0 "[ . 1 . 2]" 1
8 1 128 PHE QE 1 180 LYS H 0.000 . 5.000 3.152 2.700 3.751 . 0 0 "[ . 1 . 2]" 1
9 1 128 PHE HZ 1 180 LYS H 0.000 . 5.000 3.396 2.934 4.244 . 0 0 "[ . 1 . 2]" 1
10 1 179 GLU HA 1 180 LYS H 0.000 . 3.000 2.328 2.259 2.472 . 0 0 "[ . 1 . 2]" 1
11 1 179 GLU HB2 1 180 LYS H 0.000 . 5.000 3.803 3.391 4.208 . 0 0 "[ . 1 . 2]" 1
12 1 179 GLU HB3 1 180 LYS H 0.000 . 5.000 2.920 2.492 3.872 . 0 0 "[ . 1 . 2]" 1
13 1 134 VAL HA 1 180 LYS HA 0.000 . 3.000 2.820 2.252 3.014 0.014 20 0 "[ . 1 . 2]" 1
14 1 134 VAL MG1 1 180 LYS HA 0.000 . 5.000 2.539 2.283 2.966 . 0 0 "[ . 1 . 2]" 1
15 1 128 PHE QE 1 180 LYS QG 0.000 . 5.000 2.465 1.857 3.011 . 0 0 "[ . 1 . 2]" 1
16 1 134 VAL MG1 1 180 LYS QG 0.000 . 5.000 3.886 3.037 4.236 . 0 0 "[ . 1 . 2]" 1
17 1 128 PHE QD 1 180 LYS QD 0.000 . 5.000 4.142 2.495 4.794 . 0 0 "[ . 1 . 2]" 1
18 1 128 PHE QE 1 180 LYS QD 0.000 . 5.000 3.719 2.203 4.434 . 0 0 "[ . 1 . 2]" 1
19 1 128 PHE QD 1 180 LYS QE 0.000 . 5.000 3.687 2.849 4.247 . 0 0 "[ . 1 . 2]" 1
20 1 128 PHE QE 1 180 LYS QE 0.000 . 5.000 3.979 3.149 4.444 . 0 0 "[ . 1 . 2]" 1
21 1 135 ARG H 1 179 GLU H 0.000 . 3.000 2.505 2.381 2.594 . 0 0 "[ . 1 . 2]" 1
22 1 137 ASN H 1 179 GLU H 0.000 . 5.000 4.686 4.303 4.905 . 0 0 "[ . 1 . 2]" 1
23 1 178 VAL HA 1 179 GLU H 0.000 . 4.000 2.402 2.347 2.441 . 0 0 "[ . 1 . 2]" 1
24 1 178 VAL HB 1 179 GLU H 0.000 . 5.000 2.637 2.539 2.794 . 0 0 "[ . 1 . 2]" 1
25 1 178 VAL MG2 1 179 GLU H 0.000 . 5.000 3.323 3.202 3.457 . 0 0 "[ . 1 . 2]" 1
26 1 134 VAL MG1 1 179 GLU H 0.000 . 5.000 2.959 2.800 3.178 . 0 0 "[ . 1 . 2]" 1
27 1 136 VAL HA 1 179 GLU H 0.000 . 5.000 3.685 3.421 3.927 . 0 0 "[ . 1 . 2]" 1
28 1 137 ASN HD21 1 179 GLU HB2 0.000 . 5.000 4.610 2.786 4.990 . 0 0 "[ . 1 . 2]" 1
29 1 177 GLN H 1 178 VAL H 0.000 . 4.000 2.549 2.369 2.625 . 0 0 "[ . 1 . 2]" 1
30 1 176 SER H 1 178 VAL H 0.000 . 5.000 4.099 3.976 4.214 . 0 0 "[ . 1 . 2]" 1
31 1 176 SER HA 1 178 VAL H 0.000 . 5.000 3.833 3.692 4.015 . 0 0 "[ . 1 . 2]" 1
32 1 176 SER HB2 1 178 VAL H 0.000 . 6.000 5.189 4.921 5.505 . 0 0 "[ . 1 . 2]" 1
33 1 176 SER HB3 1 178 VAL H 0.000 . 6.000 5.507 5.306 5.681 . 0 0 "[ . 1 . 2]" 1
34 1 158 LEU QD 1 178 VAL H 0.000 . 5.000 4.480 4.100 4.763 . 0 0 "[ . 1 . 2]" 1
35 1 137 ASN H 1 178 VAL HA 0.000 . 4.000 2.954 2.794 3.124 . 0 0 "[ . 1 . 2]" 1
36 1 136 VAL HA 1 178 VAL HA 0.000 . 3.000 2.294 2.052 2.577 . 0 0 "[ . 1 . 2]" 1
37 1 136 VAL MG1 1 178 VAL HA 0.000 . 5.000 3.822 3.561 4.194 . 0 0 "[ . 1 . 2]" 1
38 1 134 VAL HB 1 178 VAL HB 0.000 . 4.000 3.639 3.433 3.946 . 0 0 "[ . 1 . 2]" 1
39 1 128 PHE HZ 1 178 VAL MG2 0.000 . 4.000 3.648 2.667 4.000 . 0 0 "[ . 1 . 2]" 1
40 1 175 PHE HA 1 178 VAL MG2 0.000 . 5.000 2.733 2.369 3.036 . 0 0 "[ . 1 . 2]" 1
41 1 134 VAL HB 1 178 VAL MG2 0.000 . 5.000 3.809 3.475 4.192 . 0 0 "[ . 1 . 2]" 1
42 1 158 LEU QD 1 178 VAL MG2 0.000 . 4.000 2.233 1.949 2.425 . 0 0 "[ . 1 . 2]" 1
43 1 177 GLN HA 1 178 VAL MG1 0.000 . 5.000 4.153 4.053 4.324 . 0 0 "[ . 1 . 2]" 1
44 1 158 LEU QD 1 178 VAL MG1 0.000 . 4.000 3.767 3.456 3.942 . 0 0 "[ . 1 . 2]" 1
45 1 136 VAL MG1 1 178 VAL MG1 0.000 . 5.000 2.640 2.327 2.833 . 0 0 "[ . 1 . 2]" 1
46 1 176 SER H 1 177 GLN H 0.000 . 5.000 2.472 2.399 2.539 . 0 0 "[ . 1 . 2]" 1
47 1 174 ASP H 1 177 GLN H 0.000 . 5.000 3.779 3.554 3.967 . 0 0 "[ . 1 . 2]" 1
48 1 176 SER HA 1 177 GLN H 0.000 . 5.000 3.480 3.445 3.507 . 0 0 "[ . 1 . 2]" 1
49 1 175 PHE HA 1 177 GLN H 0.000 . 5.000 4.185 4.003 4.290 . 0 0 "[ . 1 . 2]" 1
50 1 174 ASP H 1 176 SER H 0.000 . 6.000 5.383 5.122 5.601 . 0 0 "[ . 1 . 2]" 1
51 1 175 PHE H 1 176 SER H 0.000 . 5.000 2.734 2.645 2.948 . 0 0 "[ . 1 . 2]" 1
52 1 174 ASP HA 1 176 SER H 0.000 . 5.000 4.543 4.347 4.696 . 0 0 "[ . 1 . 2]" 1
53 1 175 PHE QB 1 176 SER H 0.000 . 5.000 2.499 2.346 2.651 . 0 0 "[ . 1 . 2]" 1
54 1 174 ASP HA 1 175 PHE H 0.000 . 2.700 2.482 2.345 2.572 . 0 0 "[ . 1 . 2]" 1
55 1 174 ASP HB3 1 175 PHE H 0.000 . 5.000 2.408 2.208 2.715 . 0 0 "[ . 1 . 2]" 1
56 1 175 PHE H 1 178 VAL MG2 0.000 . 5.000 4.578 4.178 4.842 . 0 0 "[ . 1 . 2]" 1
57 1 158 LEU QD 1 175 PHE H 0.000 . 5.000 3.631 2.795 4.175 . 0 0 "[ . 1 . 2]" 1
58 1 158 LEU QD 1 175 PHE HA 0.000 . 5.000 2.321 1.826 2.601 . 0 0 "[ . 1 . 2]" 1
59 1 158 LEU H 1 175 PHE QD 0.000 . 5.000 4.183 3.496 5.020 0.020 12 0 "[ . 1 . 2]" 1
60 1 128 PHE QD 1 175 PHE QD 0.000 . 5.000 3.998 2.392 4.724 . 0 0 "[ . 1 . 2]" 1
61 1 128 PHE QE 1 175 PHE QD 0.000 . 5.000 3.458 2.070 4.471 . 0 0 "[ . 1 . 2]" 1
62 1 157 ARG HA 1 175 PHE QD 0.000 . 5.000 3.932 2.785 4.744 . 0 0 "[ . 1 . 2]" 1
63 1 158 LEU HA 1 175 PHE QD 0.000 . 6.000 5.262 4.909 5.885 . 0 0 "[ . 1 . 2]" 1
64 1 158 LEU HB2 1 175 PHE QD 0.000 . 5.000 4.294 3.811 5.044 0.044 14 0 "[ . 1 . 2]" 1
65 1 158 LEU HG 1 175 PHE QD 0.000 . 5.000 2.762 1.879 4.892 . 0 0 "[ . 1 . 2]" 1
66 1 158 LEU QD 1 175 PHE QD 0.000 . 3.000 2.038 1.714 2.387 . 0 0 "[ . 1 . 2]" 1
67 1 158 LEU H 1 175 PHE QE 0.000 . 5.000 3.823 3.267 4.863 . 0 0 "[ . 1 . 2]" 1
68 1 158 LEU HA 1 175 PHE QE 0.000 . 5.000 4.042 3.676 4.823 . 0 0 "[ . 1 . 2]" 1
69 1 158 LEU HB2 1 175 PHE QE 0.000 . 5.000 4.596 4.211 5.050 0.050 15 0 "[ . 1 . 2]" 1
70 1 158 LEU HG 1 175 PHE QE 0.000 . 5.000 2.478 1.872 4.040 . 0 0 "[ . 1 . 2]" 1
71 1 158 LEU QD 1 175 PHE QE 0.000 . 3.000 1.919 1.762 2.329 . 0 0 "[ . 1 . 2]" 1
72 1 157 ARG HA 1 175 PHE QE 0.000 . 5.000 3.234 2.522 4.115 . 0 0 "[ . 1 . 2]" 1
73 1 152 ASP H 1 175 PHE QE 0.000 . 5.000 4.287 3.623 4.914 . 0 0 "[ . 1 . 2]" 1
74 1 158 LEU HG 1 175 PHE HZ 0.000 . 5.000 4.377 3.307 4.862 . 0 0 "[ . 1 . 2]" 1
75 1 173 LEU HA 1 174 ASP H 0.000 . 4.000 2.318 2.269 2.401 . 0 0 "[ . 1 . 2]" 1
76 1 173 LEU QD 1 174 ASP H 0.000 . 5.000 3.315 3.138 3.457 . 0 0 "[ . 1 . 2]" 1
77 1 174 ASP HB3 1 177 GLN QB 0.000 . 5.000 3.845 3.372 4.123 . 0 0 "[ . 1 . 2]" 1
78 1 174 ASP HB2 1 177 GLN QB 0.000 . 5.000 2.385 1.830 2.728 . 0 0 "[ . 1 . 2]" 1
79 1 158 LEU H 1 173 LEU H 0.000 . 4.000 3.097 2.641 3.359 . 0 0 "[ . 1 . 2]" 1
80 1 159 LYS HA 1 173 LEU H 0.000 . 5.000 3.801 3.322 4.201 . 0 0 "[ . 1 . 2]" 1
81 1 172 GLU HA 1 173 LEU H 0.000 . 4.000 2.206 2.191 2.227 . 0 0 "[ . 1 . 2]" 1
82 1 136 VAL MG1 1 173 LEU QD 0.000 . 5.000 2.357 1.722 3.061 . 0 0 "[ . 1 . 2]" 1
83 1 160 VAL QG 1 173 LEU QD 0.000 . 4.000 3.159 2.439 3.543 . 0 0 "[ . 1 . 2]" 1
84 1 139 GLY HA3 1 173 LEU QD 0.000 . 5.000 4.472 4.078 4.910 . 0 0 "[ . 1 . 2]" 1
85 1 171 VAL HA 1 172 GLU H 0.000 . 4.000 2.363 2.338 2.406 . 0 0 "[ . 1 . 2]" 1
86 1 171 VAL HB 1 172 GLU H 0.000 . 5.000 2.709 2.606 2.772 . 0 0 "[ . 1 . 2]" 1
87 1 171 VAL MG1 1 172 GLU H 0.000 . 5.000 3.912 3.876 3.941 . 0 0 "[ . 1 . 2]" 1
88 1 171 VAL MG2 1 172 GLU H 0.000 . 5.000 3.524 3.422 3.636 . 0 0 "[ . 1 . 2]" 1
89 1 160 VAL H 1 172 GLU HA 0.000 . 5.000 2.804 2.408 3.148 . 0 0 "[ . 1 . 2]" 1
90 1 158 LEU H 1 172 GLU HA 0.000 . 5.000 4.374 4.015 4.795 . 0 0 "[ . 1 . 2]" 1
91 1 158 LEU H 1 172 GLU HB3 0.000 . 5.000 3.950 3.481 4.503 . 0 0 "[ . 1 . 2]" 1
92 1 160 VAL H 1 171 VAL H 0.000 . 5.000 3.823 3.511 4.082 . 0 0 "[ . 1 . 2]" 1
93 1 162 VAL H 1 171 VAL H 0.000 . 4.000 3.948 3.846 4.003 0.003 3 0 "[ . 1 . 2]" 1
94 1 161 SER HA 1 171 VAL H 0.000 . 5.000 2.339 2.088 2.667 . 0 0 "[ . 1 . 2]" 1
95 1 162 VAL H 1 171 VAL MG2 0.000 . 4.000 3.547 3.334 3.903 . 0 0 "[ . 1 . 2]" 1
96 1 141 PHE HZ 1 171 VAL MG2 0.000 . 5.000 4.253 3.688 4.768 . 0 0 "[ . 1 . 2]" 1
97 1 141 PHE QE 1 171 VAL MG2 0.000 . 4.000 3.603 3.109 3.955 . 0 0 "[ . 1 . 2]" 1
98 1 141 PHE QD 1 171 VAL MG2 0.000 . 4.000 3.330 2.983 3.499 . 0 0 "[ . 1 . 2]" 1
99 1 162 VAL H 1 171 VAL MG1 0.000 . 4.000 3.856 3.511 4.010 0.010 19 0 "[ . 1 . 2]" 1
100 1 141 PHE QE 1 171 VAL MG1 0.000 . 4.000 2.716 2.157 3.078 . 0 0 "[ . 1 . 2]" 1
101 1 141 PHE QD 1 171 VAL MG1 0.000 . 4.000 3.685 3.321 3.951 . 0 0 "[ . 1 . 2]" 1
102 1 169 THR HB 1 171 VAL MG1 0.000 . 5.000 3.095 2.721 3.319 . 0 0 "[ . 1 . 2]" 1
103 1 162 VAL H 1 169 THR H 0.000 . 4.000 2.613 2.209 2.932 . 0 0 "[ . 1 . 2]" 1
104 1 164 ILE H 1 169 THR H 0.000 . 5.000 3.889 3.455 4.405 . 0 0 "[ . 1 . 2]" 1
105 1 168 ALA HA 1 169 THR H 0.000 . 4.000 2.246 2.218 2.295 . 0 0 "[ . 1 . 2]" 1
106 1 162 VAL HB 1 169 THR HB 0.000 . 4.000 3.065 1.955 3.972 . 0 0 "[ . 1 . 2]" 1
107 1 162 VAL QG 1 169 THR HB 0.000 . 4.000 3.155 1.744 3.763 . 0 0 "[ . 1 . 2]" 1
108 1 162 VAL H 1 169 THR MG 0.000 . 5.000 4.155 3.762 4.496 . 0 0 "[ . 1 . 2]" 1
109 1 141 PHE QE 1 169 THR MG 0.000 . 4.000 2.227 1.842 2.620 . 0 0 "[ . 1 . 2]" 1
110 1 169 THR MG 1 171 VAL MG2 0.000 . 4.000 3.721 3.347 3.999 . 0 0 "[ . 1 . 2]" 1
111 1 169 THR MG 1 171 VAL MG1 0.000 . 3.000 2.104 1.827 2.457 . 0 0 "[ . 1 . 2]" 1
112 1 167 ARG HA 1 168 ALA H 0.000 . 3.000 2.277 2.214 2.469 . 0 0 "[ . 1 . 2]" 1
113 1 167 ARG HB3 1 168 ALA H 0.000 . 5.000 3.370 2.642 4.118 . 0 0 "[ . 1 . 2]" 1
114 1 164 ILE H 1 168 ALA HA 0.000 . 5.000 3.425 2.414 3.988 . 0 0 "[ . 1 . 2]" 1
115 1 163 SER HA 1 168 ALA HA 0.000 . 3.000 2.517 1.978 3.008 0.008 13 0 "[ . 1 . 2]" 1
116 1 168 ALA MB 1 169 THR H 0.000 . 5.000 2.970 2.779 3.101 . 0 0 "[ . 1 . 2]" 1
117 1 164 ILE H 1 167 ARG H 0.000 . 4.000 3.633 3.040 4.023 0.023 16 0 "[ . 1 . 2]" 1
118 1 166 GLY H 1 167 ARG H 0.000 . 3.000 2.530 2.396 2.800 . 0 0 "[ . 1 . 2]" 1
119 1 166 GLY HA3 1 167 ARG H . 3.000 5.000 3.306 2.927 3.529 0.073 19 0 "[ . 1 . 2]" 1
120 1 166 GLY HA2 1 167 ARG H . 3.000 5.000 3.246 2.971 3.547 0.029 16 0 "[ . 1 . 2]" 1
121 1 165 PHE HA 1 166 GLY H 0.000 . 4.000 3.213 2.995 3.579 . 0 0 "[ . 1 . 2]" 1
122 1 164 ILE HA 1 165 PHE H 0.000 . 3.000 2.253 2.219 2.379 . 0 0 "[ . 1 . 2]" 1
123 1 164 ILE MG 1 165 PHE QD 0.000 . 5.000 3.138 1.727 4.696 . 0 0 "[ . 1 . 2]" 1
124 1 163 SER HA 1 164 ILE H 0.000 . 4.000 2.360 2.260 2.394 . 0 0 "[ . 1 . 2]" 1
125 1 144 PHE QD 1 164 ILE HA 0.000 . 5.000 4.786 4.277 5.004 0.004 20 0 "[ . 1 . 2]" 1
126 1 144 PHE QD 1 164 ILE MG 0.000 . 5.000 4.563 2.292 4.988 . 0 0 "[ . 1 . 2]" 1
127 1 144 PHE QE 1 164 ILE MG 0.000 . 5.000 3.682 2.268 4.304 . 0 0 "[ . 1 . 2]" 1
128 1 141 PHE HZ 1 164 ILE MD 0.000 . 5.000 4.035 3.615 4.970 . 0 0 "[ . 1 . 2]" 1
129 1 141 PHE QE 1 164 ILE MD 0.000 . 5.000 2.222 1.926 3.074 . 0 0 "[ . 1 . 2]" 1
130 1 141 PHE QD 1 164 ILE MD 0.000 . 5.000 2.219 1.799 3.234 . 0 0 "[ . 1 . 2]" 1
131 1 164 ILE MD 1 169 THR HB 0.000 . 4.000 3.377 2.638 3.944 . 0 0 "[ . 1 . 2]" 1
132 1 162 VAL HB 1 164 ILE MD 0.000 . 4.000 2.887 2.299 3.839 . 0 0 "[ . 1 . 2]" 1
133 1 164 ILE MD 1 169 THR MG 0.000 . 4.000 3.465 2.665 3.995 . 0 0 "[ . 1 . 2]" 1
134 1 146 GLY HA2 1 163 SER H 0.000 . 5.000 4.217 3.347 4.750 . 0 0 "[ . 1 . 2]" 1
135 1 162 VAL HA 1 163 SER H 0.000 . 4.000 2.214 2.196 2.237 . 0 0 "[ . 1 . 2]" 1
136 1 146 GLY HA3 1 163 SER H 0.000 . 5.000 4.630 3.795 5.005 0.005 9 0 "[ . 1 . 2]" 1
137 1 162 VAL HB 1 163 SER H 0.000 . 5.000 4.083 3.928 4.379 . 0 0 "[ . 1 . 2]" 1
138 1 162 VAL QG 1 163 SER H 0.000 . 3.000 2.490 2.255 2.678 . 0 0 "[ . 1 . 2]" 1
139 1 163 SER H 1 163 SER HB2 0.000 . 3.000 2.635 2.290 3.653 0.653 6 1 "[ .+ 1 . 2]" 1
140 1 163 SER HA 1 169 THR H 0.000 . 5.000 3.765 3.443 4.303 . 0 0 "[ . 1 . 2]" 1
141 1 163 SER HA 1 168 ALA MB 0.000 . 5.000 3.767 3.157 4.118 . 0 0 "[ . 1 . 2]" 1
142 1 161 SER HA 1 162 VAL H 0.000 . 4.000 2.266 2.207 2.355 . 0 0 "[ . 1 . 2]" 1
143 1 162 VAL H 1 169 THR HB 0.000 . 5.000 2.880 2.335 3.384 . 0 0 "[ . 1 . 2]" 1
144 1 162 VAL H 1 168 ALA MB 0.000 . 5.000 4.645 4.140 5.005 0.005 14 0 "[ . 1 . 2]" 1
145 1 146 GLY HA2 1 162 VAL HA 0.000 . 4.000 3.727 3.245 3.993 . 0 0 "[ . 1 . 2]" 1
146 1 146 GLY HA3 1 162 VAL HA 0.000 . 4.000 3.269 3.023 3.496 . 0 0 "[ . 1 . 2]" 1
147 1 144 PHE HB2 1 162 VAL HB 0.000 . 5.000 4.958 4.532 5.392 0.392 13 0 "[ . 1 . 2]" 1
148 1 141 PHE QD 1 162 VAL QG 0.000 . 5.000 1.984 1.679 2.295 . 0 0 "[ . 1 . 2]" 1
149 1 144 PHE HB3 1 162 VAL QG 0.000 . 4.000 1.844 1.714 2.215 . 0 0 "[ . 1 . 2]" 1
150 1 141 PHE HB3 1 162 VAL QG 0.000 . 5.000 2.262 1.821 3.118 . 0 0 "[ . 1 . 2]" 1
151 1 144 PHE HB2 1 162 VAL QG 0.000 . 4.000 2.481 2.058 2.890 . 0 0 "[ . 1 . 2]" 1
152 1 141 PHE HB2 1 162 VAL QG 0.000 . 5.000 3.539 3.082 4.364 . 0 0 "[ . 1 . 2]" 1
153 1 162 VAL QG 1 169 THR H 0.000 . 5.000 3.860 2.228 4.452 . 0 0 "[ . 1 . 2]" 1
154 1 162 VAL QG 1 164 ILE HG13 0.000 . 4.000 2.256 1.762 3.289 . 0 0 "[ . 1 . 2]" 1
155 1 149 GLU H 1 161 SER H 0.000 . 5.000 3.956 3.616 4.398 . 0 0 "[ . 1 . 2]" 1
156 1 147 VAL H 1 161 SER H 0.000 . 4.000 3.118 2.784 3.428 . 0 0 "[ . 1 . 2]" 1
157 1 160 VAL HA 1 161 SER H 0.000 . 4.000 2.266 2.236 2.314 . 0 0 "[ . 1 . 2]" 1
158 1 160 VAL QG 1 161 SER H 0.000 . 5.000 2.041 1.849 2.313 . 0 0 "[ . 1 . 2]" 1
159 1 147 VAL H 1 161 SER QB 0.000 . 5.000 4.428 3.470 5.000 . 16 0 "[ . 1 . 2]" 1
160 1 161 SER QB 1 168 ALA MB 0.000 . 5.000 3.075 2.237 3.668 . 0 0 "[ . 1 . 2]" 1
161 1 160 VAL H 1 173 LEU H 0.000 . 5.000 3.541 3.301 3.888 . 0 0 "[ . 1 . 2]" 1
162 1 148 VAL HA 1 160 VAL HA 0.000 . 3.000 2.244 1.923 2.473 . 0 0 "[ . 1 . 2]" 1
163 1 149 GLU H 1 160 VAL QG 0.000 . 4.000 3.463 3.349 3.662 . 0 0 "[ . 1 . 2]" 1
164 1 150 GLU H 1 160 VAL QG 0.000 . 5.000 4.436 4.214 4.728 . 0 0 "[ . 1 . 2]" 1
165 1 147 VAL HA 1 160 VAL QG 0.000 . 5.000 3.050 2.698 3.539 . 0 0 "[ . 1 . 2]" 1
166 1 148 VAL HA 1 160 VAL QG 0.000 . 3.000 1.980 1.800 2.330 . 0 0 "[ . 1 . 2]" 1
167 1 147 VAL H 1 160 VAL QG 0.000 . 4.000 2.500 2.171 2.869 . 0 0 "[ . 1 . 2]" 1
168 1 146 GLY HA3 1 160 VAL QG 0.000 . 4.000 2.455 2.249 2.615 . 0 0 "[ . 1 . 2]" 1
169 1 158 LEU HA 1 159 LYS H 0.000 . 4.000 2.220 2.194 2.245 . 0 0 "[ . 1 . 2]" 1
170 1 151 VAL HA 1 159 LYS H 0.000 . 5.000 2.797 2.328 3.233 . 0 0 "[ . 1 . 2]" 1
171 1 150 GLU HB3 1 159 LYS H 0.000 . 5.000 4.896 3.982 5.695 0.695 7 2 "[ . + 1- . 2]" 1
172 1 158 LEU HB2 1 159 LYS H 0.000 . 5.000 4.105 3.896 4.368 . 0 0 "[ . 1 . 2]" 1
173 1 159 LYS HA 1 160 VAL H 0.000 . 3.000 2.259 2.208 2.343 . 0 0 "[ . 1 . 2]" 1
174 1 159 LYS HA 1 172 GLU HA 0.000 . 3.000 2.365 2.012 2.740 . 0 0 "[ . 1 . 2]" 1
175 1 150 GLU H 1 159 LYS HB3 0.000 . 5.000 2.368 1.890 3.537 . 0 0 "[ . 1 . 2]" 1
176 1 157 ARG HA 1 158 LEU H 0.000 . 4.000 2.319 2.232 2.456 . 0 0 "[ . 1 . 2]" 1
177 1 157 ARG HB3 1 158 LEU H 0.000 . 5.000 3.097 2.458 3.972 . 0 0 "[ . 1 . 2]" 1
178 1 151 VAL HA 1 158 LEU HA 0.000 . 3.000 2.621 2.332 3.003 0.003 11 0 "[ . 1 . 2]" 1
179 1 151 VAL MG2 1 158 LEU HA 0.000 . 4.000 3.643 3.260 3.928 . 0 0 "[ . 1 . 2]" 1
180 1 151 VAL HA 1 158 LEU HB3 0.000 . 5.000 4.324 3.650 5.008 0.008 7 0 "[ . 1 . 2]" 1
181 1 128 PHE HB3 1 158 LEU HB3 0.000 . 5.000 4.466 3.934 4.800 . 0 0 "[ . 1 . 2]" 1
182 1 128 PHE QD 1 158 LEU QD 0.000 . 5.000 2.342 1.784 2.772 . 0 0 "[ . 1 . 2]" 1
183 1 128 PHE HB3 1 158 LEU QD 0.000 . 5.000 2.803 2.384 3.242 . 0 0 "[ . 1 . 2]" 1
184 1 148 VAL QG 1 158 LEU QD 0.000 . 4.000 2.699 2.348 3.224 . 0 0 "[ . 1 . 2]" 1
185 1 152 ASP H 1 157 ARG H 0.000 . 4.000 3.369 2.901 3.728 . 0 0 "[ . 1 . 2]" 1
186 1 156 SER H 1 157 ARG H 0.000 . 4.000 2.942 2.850 3.074 . 0 0 "[ . 1 . 2]" 1
187 1 153 TYR HA 1 157 ARG H 0.000 . 5.000 4.009 3.686 4.494 . 0 0 "[ . 1 . 2]" 1
188 1 152 ASP HB3 1 157 ARG H 0.000 . 5.000 3.743 3.375 4.230 . 0 0 "[ . 1 . 2]" 1
189 1 156 SER HA 1 157 ARG H 0.000 . 2.700 2.696 2.648 2.705 0.005 3 0 "[ . 1 . 2]" 1
190 1 157 ARG HD3 1 174 ASP HA 0.000 . 4.000 3.731 2.768 4.818 0.818 2 2 "[ + - 1 . 2]" 1
191 1 154 GLU H 1 156 SER H 0.000 . 5.000 3.723 3.598 3.797 . 0 0 "[ . 1 . 2]" 1
192 1 155 LYS H 1 156 SER H 0.000 . 4.000 2.411 2.288 2.522 . 0 0 "[ . 1 . 2]" 1
193 1 152 ASP HA 1 156 SER H 0.000 . 6.000 5.069 4.733 5.324 . 0 0 "[ . 1 . 2]" 1
194 1 155 LYS HA 1 156 SER H 0.000 . 5.000 3.307 3.203 3.386 . 0 0 "[ . 1 . 2]" 1
195 1 154 GLU HA 1 156 SER H 0.000 . 5.000 3.932 3.750 4.108 . 0 0 "[ . 1 . 2]" 1
196 1 153 TYR HA 1 156 SER HA 0.000 . 5.000 3.095 2.989 3.329 . 0 0 "[ . 1 . 2]" 1
197 1 153 TYR H 1 155 LYS H 0.000 . 5.000 4.255 4.058 4.372 . 0 0 "[ . 1 . 2]" 1
198 1 154 GLU H 1 155 LYS H 0.000 . 4.000 2.723 2.673 2.829 . 0 0 "[ . 1 . 2]" 1
199 1 155 LYS H 1 157 ARG H 0.000 . 5.000 4.084 3.928 4.291 . 0 0 "[ . 1 . 2]" 1
200 1 152 ASP HA 1 155 LYS H 0.000 . 5.000 3.969 3.828 4.141 . 0 0 "[ . 1 . 2]" 1
201 1 154 GLU HB3 1 155 LYS H 0.000 . 5.000 3.326 2.443 3.734 . 0 0 "[ . 1 . 2]" 1
202 1 154 GLU HB2 1 155 LYS H 0.000 . 5.000 2.887 2.508 3.827 . 0 0 "[ . 1 . 2]" 1
203 1 153 TYR H 1 154 GLU H 0.000 . 4.000 2.656 2.597 2.744 . 0 0 "[ . 1 . 2]" 1
204 1 152 ASP HA 1 154 GLU H 0.000 . 4.000 3.594 3.449 3.738 . 0 0 "[ . 1 . 2]" 1
205 1 153 TYR HA 1 154 GLU H 0.000 . 5.000 3.548 3.527 3.562 . 0 0 "[ . 1 . 2]" 1
206 1 153 TYR HB2 1 154 GLU H 0.000 . 5.000 2.661 2.568 2.779 . 0 0 "[ . 1 . 2]" 1
207 1 152 ASP HA 1 153 TYR H 0.000 . 3.000 2.329 2.253 2.414 . 0 0 "[ . 1 . 2]" 1
208 1 153 TYR HA 1 175 PHE HZ 0.000 . 4.000 3.122 2.244 4.010 0.010 9 0 "[ . 1 . 2]" 1
209 1 153 TYR QD 1 175 PHE QE 0.000 . 5.000 4.189 3.064 4.827 . 0 0 "[ . 1 . 2]" 1
210 1 153 TYR QD 1 175 PHE HZ 0.000 . 5.000 3.746 3.256 4.245 . 0 0 "[ . 1 . 2]" 1
211 1 151 VAL HB 1 153 TYR QD 0.000 . 5.000 4.404 3.980 4.772 . 0 0 "[ . 1 . 2]" 1
212 1 151 VAL MG1 1 153 TYR QD 0.000 . 5.000 3.332 2.943 3.664 . 0 0 "[ . 1 . 2]" 1
213 1 128 PHE H 1 153 TYR QE 0.000 . 5.000 3.975 3.070 4.909 . 0 0 "[ . 1 . 2]" 1
214 1 153 TYR QE 1 175 PHE HZ 0.000 . 5.000 4.729 3.698 5.005 0.005 1 0 "[ . 1 . 2]" 1
215 1 151 VAL HB 1 153 TYR QE 0.000 . 5.000 3.360 2.852 3.835 . 0 0 "[ . 1 . 2]" 1
216 1 151 VAL MG1 1 153 TYR QE 0.000 . 4.000 2.912 2.556 3.394 . 0 0 "[ . 1 . 2]" 1
217 1 151 VAL HA 1 152 ASP H 0.000 . 3.000 2.309 2.266 2.344 . 0 0 "[ . 1 . 2]" 1
218 1 152 ASP H 1 158 LEU HG 0.000 . 5.000 4.768 4.123 5.002 0.002 2 0 "[ . 1 . 2]" 1
219 1 151 VAL MG2 1 152 ASP H 0.000 . 5.000 3.960 3.847 4.018 . 0 0 "[ . 1 . 2]" 1
220 1 150 GLU HA 1 151 VAL H 0.000 . 4.000 2.385 2.305 2.454 . 0 0 "[ . 1 . 2]" 1
221 1 150 GLU HG3 1 151 VAL H 0.000 . 5.000 4.281 2.579 4.998 . 0 0 "[ . 1 . 2]" 1
222 1 149 GLU H 1 150 GLU H 0.000 . 4.000 2.570 2.257 2.647 . 0 0 "[ . 1 . 2]" 1
223 1 150 GLU H 1 159 LYS H 0.000 . 4.000 3.547 3.141 3.819 . 0 0 "[ . 1 . 2]" 1
224 1 149 GLU HA 1 150 GLU H 0.000 . 5.000 3.543 3.520 3.573 . 0 0 "[ . 1 . 2]" 1
225 1 148 VAL HA 1 150 GLU H 0.000 . 5.000 3.713 3.509 4.045 . 0 0 "[ . 1 . 2]" 1
226 1 149 GLU HG3 1 150 GLU H 0.000 . 5.000 4.593 4.087 5.017 0.017 15 0 "[ . 1 . 2]" 1
227 1 149 GLU HG2 1 150 GLU H 0.000 . 5.000 4.651 4.194 5.000 . 0 0 "[ . 1 . 2]" 1
228 1 150 GLU H 1 159 LYS HB2 0.000 . 4.000 3.301 1.985 3.987 . 0 0 "[ . 1 . 2]" 1
229 1 150 GLU H 1 159 LYS HG2 0.000 . 5.000 3.920 3.360 5.005 0.005 9 0 "[ . 1 . 2]" 1
230 1 148 VAL QG 1 150 GLU HA 0.000 . 5.000 3.460 3.192 3.842 . 0 0 "[ . 1 . 2]" 1
231 1 150 GLU HG2 1 151 VAL H 0.000 . 5.000 3.627 1.894 4.906 . 0 0 "[ . 1 . 2]" 1
232 1 148 VAL HA 1 149 GLU H 0.000 . 4.000 2.227 2.190 2.273 . 0 0 "[ . 1 . 2]" 1
233 1 147 VAL MG1 1 149 GLU H 0.000 . 5.000 4.232 3.946 4.477 . 0 0 "[ . 1 . 2]" 1
234 1 149 GLU HG3 1 161 SER H 0.000 . 5.000 4.065 3.001 4.989 . 0 0 "[ . 1 . 2]" 1
235 1 149 GLU HG2 1 161 SER H 0.000 . 5.000 4.361 3.088 5.001 0.001 9 0 "[ . 1 . 2]" 1
236 1 149 GLU HG2 1 160 VAL HA 0.000 . 5.000 4.527 3.379 5.398 0.398 10 0 "[ . 1 . 2]" 1
237 1 131 GLY H 1 148 VAL H 0.000 . 5.000 3.717 3.439 4.000 . 0 0 "[ . 1 . 2]" 1
238 1 133 MET HA 1 148 VAL H 0.000 . 4.000 3.744 3.510 4.000 . 0 0 "[ . 1 . 2]" 1
239 1 147 VAL HA 1 148 VAL H 0.000 . 4.000 2.351 2.273 2.448 . 0 0 "[ . 1 . 2]" 1
240 1 132 GLU HA 1 148 VAL H 0.000 . 5.000 4.893 4.548 5.011 0.011 11 0 "[ . 1 . 2]" 1
241 1 132 GLU QB 1 148 VAL H 0.000 . 5.000 3.787 3.576 4.073 . 0 0 "[ . 1 . 2]" 1
242 1 134 VAL MG2 1 148 VAL H 0.000 . 5.000 2.750 2.307 3.260 . 0 0 "[ . 1 . 2]" 1
243 1 148 VAL HB 1 151 VAL MG2 0.000 . 5.000 3.793 3.323 4.323 . 0 0 "[ . 1 . 2]" 1
244 1 147 VAL HA 1 148 VAL QG 0.000 . 5.000 3.637 3.482 3.824 . 0 0 "[ . 1 . 2]" 1
245 1 148 VAL QG 1 160 VAL HA 0.000 . 4.000 3.592 3.257 3.845 . 0 0 "[ . 1 . 2]" 1
246 1 134 VAL MG2 1 148 VAL QG 0.000 . 5.000 2.030 1.572 2.524 . 0 0 "[ . 1 . 2]" 1
247 1 148 VAL QG 1 149 GLU H 0.000 . 5.000 3.040 2.741 3.256 . 0 0 "[ . 1 . 2]" 1
248 1 132 GLU H 1 148 VAL QG 0.000 . 5.000 2.924 2.066 4.057 . 0 0 "[ . 1 . 2]" 1
249 1 148 VAL QG 1 150 GLU H 0.000 . 4.000 2.557 2.316 2.990 . 0 0 "[ . 1 . 2]" 1
250 1 130 PRO HA 1 148 VAL QG 0.000 . 3.000 2.708 2.468 2.971 . 0 0 "[ . 1 . 2]" 1
251 1 128 PHE HB2 1 148 VAL QG 0.000 . 4.000 3.316 2.826 3.759 . 0 0 "[ . 1 . 2]" 1
252 1 146 GLY HA2 1 147 VAL H 0.000 . 5.000 2.624 2.465 2.725 . 0 0 "[ . 1 . 2]" 1
253 1 147 VAL H 1 162 VAL HA 0.000 . 5.000 4.830 4.371 5.006 0.006 8 0 "[ . 1 . 2]" 1
254 1 146 GLY HA3 1 147 VAL H 0.000 . 4.000 2.600 2.502 2.770 . 0 0 "[ . 1 . 2]" 1
255 1 133 MET HA 1 147 VAL HA 0.000 . 3.000 2.049 1.879 2.362 . 0 0 "[ . 1 . 2]" 1
256 1 133 MET HA 1 147 VAL HB 0.000 . 5.000 4.527 4.202 4.937 . 0 0 "[ . 1 . 2]" 1
257 1 147 VAL MG2 1 148 VAL H 0.000 . 4.000 3.939 3.828 4.004 0.004 15 0 "[ . 1 . 2]" 1
258 1 133 MET HG2 1 147 VAL MG2 0.000 . 5.000 2.864 1.774 4.529 . 0 0 "[ . 1 . 2]" 1
259 1 147 VAL MG1 1 148 VAL H 0.000 . 4.000 1.918 1.791 2.037 . 0 0 "[ . 1 . 2]" 1
260 1 133 MET HA 1 147 VAL MG1 0.000 . 5.000 2.904 2.541 3.192 . 0 0 "[ . 1 . 2]" 1
261 1 147 VAL MG1 1 149 GLU HA 0.000 . 5.000 3.920 3.581 4.172 . 0 0 "[ . 1 . 2]" 1
262 1 147 VAL MG1 1 148 VAL HA 0.000 . 5.000 3.925 3.802 4.115 . 0 0 "[ . 1 . 2]" 1
263 1 134 VAL H 1 146 GLY H 0.000 . 4.000 2.843 2.610 3.133 . 0 0 "[ . 1 . 2]" 1
264 1 145 ASN HA 1 146 GLY H 0.000 . 4.000 2.290 2.235 2.469 . 0 0 "[ . 1 . 2]" 1
265 1 133 MET HA 1 146 GLY H 0.000 . 5.000 4.489 4.211 4.884 . 0 0 "[ . 1 . 2]" 1
266 1 135 ARG HA 1 146 GLY H 0.000 . 5.000 3.606 3.277 3.788 . 0 0 "[ . 1 . 2]" 1
267 1 145 ASN HB2 1 146 GLY H 0.000 . 5.000 3.730 2.503 4.083 . 0 0 "[ . 1 . 2]" 1
268 1 134 VAL HB 1 146 GLY H 0.000 . 6.000 4.072 3.754 4.262 . 0 0 "[ . 1 . 2]" 1
269 1 136 VAL MG2 1 146 GLY H 0.000 . 5.000 4.481 4.168 4.912 . 0 0 "[ . 1 . 2]" 1
270 1 146 GLY HA2 1 160 VAL QG 0.000 . 5.000 3.658 3.424 3.839 . 0 0 "[ . 1 . 2]" 1
271 1 144 PHE HA 1 145 ASN H 0.000 . 3.000 2.260 2.197 2.336 . 0 0 "[ . 1 . 2]" 1
272 1 144 PHE HB3 1 145 ASN H 0.000 . 5.000 3.060 2.763 3.415 . 0 0 "[ . 1 . 2]" 1
273 1 144 PHE HB2 1 145 ASN H 0.000 . 5.000 4.155 3.948 4.370 . 0 0 "[ . 1 . 2]" 1
274 1 135 ARG HA 1 145 ASN HA 0.000 . 3.000 2.685 2.267 2.865 . 0 0 "[ . 1 . 2]" 1
275 1 135 ARG HG2 1 145 ASN HA 0.000 . 5.000 4.484 2.935 5.355 0.355 17 0 "[ . 1 . 2]" 1
276 1 136 VAL MG2 1 145 ASN HA 0.000 . 5.000 4.329 3.404 4.893 . 0 0 "[ . 1 . 2]" 1
277 1 143 ASP H 1 144 PHE H 0.000 . 5.000 2.655 2.457 2.815 . 0 0 "[ . 1 . 2]" 1
278 1 136 VAL H 1 144 PHE H 0.000 . 5.000 2.949 2.714 3.124 . 0 0 "[ . 1 . 2]" 1
279 1 143 ASP HA 1 144 PHE H 0.000 . 3.000 2.834 2.701 3.003 0.003 8 0 "[ . 1 . 2]" 1
280 1 142 ALA HA 1 144 PHE H 0.000 . 5.000 3.712 3.418 3.955 . 0 0 "[ . 1 . 2]" 1
281 1 136 VAL HB 1 144 PHE H 0.000 . 4.000 2.981 2.572 3.429 . 0 0 "[ . 1 . 2]" 1
282 1 142 ALA MB 1 144 PHE H 0.000 . 5.000 4.690 4.465 4.881 . 0 0 "[ . 1 . 2]" 1
283 1 136 VAL MG1 1 144 PHE H 0.000 . 5.000 4.281 3.889 4.654 . 0 0 "[ . 1 . 2]" 1
284 1 136 VAL MG2 1 144 PHE H 0.000 . 5.000 4.112 3.745 4.520 . 0 0 "[ . 1 . 2]" 1
285 1 144 PHE HB3 1 163 SER H 0.000 . 5.000 4.684 3.506 5.008 0.008 14 0 "[ . 1 . 2]" 1
286 1 141 PHE QD 1 144 PHE QD 0.000 . 5.000 4.536 4.378 4.707 . 0 0 "[ . 1 . 2]" 1
287 1 141 PHE HA 1 144 PHE QD 0.000 . 4.000 2.691 2.508 2.861 . 0 0 "[ . 1 . 2]" 1
288 1 141 PHE HB3 1 144 PHE QD 0.000 . 5.000 3.969 3.848 4.085 . 0 0 "[ . 1 . 2]" 1
289 1 136 VAL H 1 143 ASP H 0.000 . 5.000 4.183 3.777 4.547 . 0 0 "[ . 1 . 2]" 1
290 1 137 ASN HA 1 143 ASP H 0.000 . 4.000 2.449 1.996 3.373 . 0 0 "[ . 1 . 2]" 1
291 1 142 ALA HA 1 143 ASP H 0.000 . 4.000 2.298 2.265 2.330 . 0 0 "[ . 1 . 2]" 1
292 1 136 VAL HB 1 143 ASP H 0.000 . 5.000 3.776 3.166 4.240 . 0 0 "[ . 1 . 2]" 1
293 1 142 ALA MB 1 143 ASP H 0.000 . 4.000 2.806 2.723 2.941 . 0 0 "[ . 1 . 2]" 1
294 1 136 VAL MG1 1 143 ASP H 0.000 . 5.000 3.902 3.636 4.258 . 0 0 "[ . 1 . 2]" 1
295 1 136 VAL HB 1 143 ASP HA 0.000 . 6.000 5.346 5.032 5.691 . 0 0 "[ . 1 . 2]" 1
296 1 141 PHE H 1 142 ALA H 0.000 . 4.000 2.601 2.514 2.684 . 0 0 "[ . 1 . 2]" 1
297 1 141 PHE HA 1 142 ALA H 0.000 . 5.000 3.195 3.115 3.260 . 0 0 "[ . 1 . 2]" 1
298 1 136 VAL HB 1 142 ALA H 0.000 . 5.000 4.705 4.202 4.981 . 0 0 "[ . 1 . 2]" 1
299 1 136 VAL HB 1 142 ALA HA 0.000 . 5.000 2.966 2.157 3.549 . 0 0 "[ . 1 . 2]" 1
300 1 136 VAL MG2 1 142 ALA HA 0.000 . 5.000 4.378 3.808 4.789 . 0 0 "[ . 1 . 2]" 1
301 1 139 GLY H 1 142 ALA MB 0.000 . 4.000 3.557 3.325 3.862 . 0 0 "[ . 1 . 2]" 1
302 1 137 ASN HA 1 142 ALA MB 0.000 . 4.000 2.622 2.041 3.143 . 0 0 "[ . 1 . 2]" 1
303 1 138 ASP HA 1 142 ALA MB 0.000 . 3.000 2.765 2.468 2.989 . 0 0 "[ . 1 . 2]" 1
304 1 136 VAL MG1 1 141 PHE H 0.000 . 5.000 3.628 3.401 3.798 . 0 0 "[ . 1 . 2]" 1
305 1 136 VAL MG1 1 141 PHE HB3 0.000 . 5.000 2.767 2.179 3.305 . 0 0 "[ . 1 . 2]" 1
306 1 141 PHE QD 1 144 PHE HB3 0.000 . 5.000 4.653 4.322 4.950 . 0 0 "[ . 1 . 2]" 1
307 1 141 PHE QD 1 144 PHE HB2 0.000 . 5.000 4.382 4.190 4.611 . 0 0 "[ . 1 . 2]" 1
308 1 141 PHE QD 1 162 VAL HB 0.000 . 5.000 2.426 1.887 3.224 . 0 0 "[ . 1 . 2]" 1
309 1 141 PHE QD 1 164 ILE HG13 0.000 . 5.000 3.750 3.173 5.600 0.600 20 1 "[ . 1 . +]" 1
310 1 141 PHE HZ 1 171 VAL MG1 0.000 . 4.000 2.667 2.060 3.085 . 0 0 "[ . 1 . 2]" 1
311 1 138 ASP HA 1 139 GLY H 0.000 . 3.000 2.342 2.250 2.499 . 0 0 "[ . 1 . 2]" 1
312 1 137 ASN H 1 138 ASP H 0.000 . 4.000 2.187 2.067 2.326 . 0 0 "[ . 1 . 2]" 1
313 1 138 ASP H 1 178 VAL HA 0.000 . 5.000 4.892 4.552 4.974 . 0 0 "[ . 1 . 2]" 1
314 1 137 ASN HA 1 138 ASP H 0.000 . 5.000 3.119 3.051 3.194 . 0 0 "[ . 1 . 2]" 1
315 1 136 VAL HA 1 138 ASP H 0.000 . 4.000 3.673 3.562 3.764 . 0 0 "[ . 1 . 2]" 1
316 1 138 ASP H 1 142 ALA HA 0.000 . 5.000 2.807 2.458 3.038 . 0 0 "[ . 1 . 2]" 1
317 1 137 ASN HB3 1 138 ASP H 0.000 . 5.000 4.515 4.447 4.581 . 0 0 "[ . 1 . 2]" 1
318 1 138 ASP H 1 142 ALA MB 0.000 . 4.000 2.831 2.364 3.132 . 0 0 "[ . 1 . 2]" 1
319 1 136 VAL MG1 1 138 ASP H 0.000 . 3.000 1.992 1.850 2.207 . 0 0 "[ . 1 . 2]" 1
320 1 136 VAL HA 1 137 ASN H 0.000 . 4.000 2.212 2.194 2.225 . 0 0 "[ . 1 . 2]" 1
321 1 136 VAL MG1 1 137 ASN H 0.000 . 4.000 2.500 2.229 2.730 . 0 0 "[ . 1 . 2]" 1
322 1 137 ASN HA 1 142 ALA HA 0.000 . 4.000 2.780 2.203 3.629 . 0 0 "[ . 1 . 2]" 1
323 1 137 ASN HD21 1 179 GLU QG 0.000 . 5.000 2.694 1.942 4.629 . 0 0 "[ . 1 . 2]" 1
324 1 137 ASN HD22 1 179 GLU QG 0.000 . 5.000 3.252 2.799 4.780 . 0 0 "[ . 1 . 2]" 1
325 1 136 VAL H 1 145 ASN HA 0.000 . 4.000 3.762 3.074 3.996 . 0 0 "[ . 1 . 2]" 1
326 1 135 ARG HG3 1 136 VAL H 0.000 . 5.000 3.485 2.383 5.004 0.004 8 0 "[ . 1 . 2]" 1
327 1 135 ARG HG2 1 136 VAL H 0.000 . 5.000 2.997 2.308 4.218 . 0 0 "[ . 1 . 2]" 1
328 1 136 VAL HB 1 142 ALA MB 0.000 . 5.000 4.543 3.856 5.003 0.003 2 0 "[ . 1 . 2]" 1
329 1 136 VAL MG1 1 142 ALA HA 0.000 . 4.000 2.165 1.848 2.594 . 0 0 "[ . 1 . 2]" 1
330 1 136 VAL MG1 1 141 PHE HB2 0.000 . 4.000 2.134 1.864 2.522 . 0 0 "[ . 1 . 2]" 1
331 1 136 VAL MG1 1 142 ALA MB 0.000 . 5.000 3.209 2.651 3.504 . 0 0 "[ . 1 . 2]" 1
332 1 136 VAL MG2 1 178 VAL HA 0.000 . 5.000 3.748 3.422 4.096 . 0 0 "[ . 1 . 2]" 1
333 1 136 VAL MG2 1 141 PHE HB3 0.000 . 5.000 2.921 2.518 3.247 . 0 0 "[ . 1 . 2]" 1
334 1 136 VAL MG2 1 141 PHE HB2 0.000 . 5.000 3.334 2.836 3.694 . 0 0 "[ . 1 . 2]" 1
335 1 136 VAL MG2 1 160 VAL QG 0.000 . 5.000 3.237 2.891 3.588 . 0 0 "[ . 1 . 2]" 1
336 1 135 ARG H 1 178 VAL HA 0.000 . 5.000 4.276 4.171 4.357 . 0 0 "[ . 1 . 2]" 1
337 1 134 VAL HA 1 135 ARG H 0.000 . 4.000 2.601 2.593 2.609 . 0 0 "[ . 1 . 2]" 1
338 1 135 ARG H 1 179 GLU HB2 0.000 . 5.000 4.009 3.759 4.979 . 0 0 "[ . 1 . 2]" 1
339 1 134 VAL HB 1 135 ARG H 0.000 . 3.000 3.014 3.009 3.022 0.022 11 0 "[ . 1 . 2]" 1
340 1 135 ARG H 1 178 VAL HB 0.000 . 4.000 2.869 2.671 2.951 . 0 0 "[ . 1 . 2]" 1
341 1 135 ARG HA 1 136 VAL H 0.000 . 5.000 2.258 2.221 2.313 . 0 0 "[ . 1 . 2]" 1
342 1 135 ARG HB3 1 179 GLU H 0.000 . 5.000 2.752 2.249 3.835 . 0 0 "[ . 1 . 2]" 1
343 1 135 ARG HB3 1 179 GLU QG 0.000 . 5.000 3.561 3.068 4.595 . 0 0 "[ . 1 . 2]" 1
344 1 134 VAL H 1 181 ALA H 0.000 . 5.000 4.703 4.491 4.897 . 0 0 "[ . 1 . 2]" 1
345 1 134 VAL H 1 145 ASN HA 0.000 . 5.000 4.699 4.519 4.995 . 0 0 "[ . 1 . 2]" 1
346 1 133 MET HA 1 134 VAL H 0.000 . 4.000 2.287 2.220 2.343 . 0 0 "[ . 1 . 2]" 1
347 1 134 VAL H 1 147 VAL HA 0.000 . 4.000 2.842 2.396 3.106 . 0 0 "[ . 1 . 2]" 1
348 1 134 VAL H 1 146 GLY HA3 0.000 . 5.000 4.318 4.161 4.497 . 0 0 "[ . 1 . 2]" 1
349 1 128 PHE QE 1 134 VAL MG1 0.000 . 4.000 2.541 1.870 2.944 . 0 0 "[ . 1 . 2]" 1
350 1 134 VAL MG2 1 146 GLY HA3 0.000 . 5.000 4.945 4.798 5.006 0.006 20 0 "[ . 1 . 2]" 1
351 1 134 VAL MG2 1 178 VAL HB 0.000 . 5.000 4.483 4.389 4.652 . 0 0 "[ . 1 . 2]" 1
352 1 134 VAL MG2 1 180 LYS QG 0.000 . 6.000 4.168 3.600 5.380 . 0 0 "[ . 1 . 2]" 1
353 1 133 MET H 1 134 VAL H 0.000 . 5.000 4.646 4.613 4.679 . 0 0 "[ . 1 . 2]" 1
354 1 132 GLU HA 1 133 MET H 0.000 . 3.000 2.239 2.198 2.328 . 0 0 "[ . 1 . 2]" 1
355 1 132 GLU QB 1 133 MET H 0.000 . 4.000 3.347 2.739 3.780 . 0 0 "[ . 1 . 2]" 1
356 1 133 MET H 1 181 ALA MB 0.000 . 5.000 3.519 3.156 4.632 . 0 0 "[ . 1 . 2]" 1
357 1 133 MET HA 1 147 VAL H 0.000 . 5.000 4.552 4.315 4.889 . 0 0 "[ . 1 . 2]" 1
358 1 133 MET QB 1 147 VAL MG2 0.000 . 4.000 3.405 2.550 4.002 0.002 5 0 "[ . 1 . 2]" 1
359 1 133 MET HG3 1 147 VAL MG2 0.000 . 5.000 3.308 2.646 4.240 . 0 0 "[ . 1 . 2]" 1
360 1 133 MET HG2 1 134 VAL H 0.000 . 5.000 4.034 2.666 5.002 0.002 7 0 "[ . 1 . 2]" 1
361 1 133 MET ME 1 147 VAL HA 0.000 . 5.000 4.355 3.397 4.978 . 0 0 "[ . 1 . 2]" 1
362 1 133 MET ME 1 146 GLY HA2 0.000 . 5.000 3.777 3.388 4.021 . 0 0 "[ . 1 . 2]" 1
363 1 133 MET ME 1 146 GLY HA3 0.000 . 5.000 4.849 4.240 5.002 0.002 19 0 "[ . 1 . 2]" 1
364 1 133 MET ME 1 181 ALA MB 0.000 . 4.000 3.591 2.997 3.990 . 0 0 "[ . 1 . 2]" 1
365 1 133 MET ME 1 147 VAL MG2 0.000 . 4.000 2.746 2.187 3.128 . 0 0 "[ . 1 . 2]" 1
366 1 131 GLY H 1 132 GLU H 0.000 . 2.700 2.390 2.213 2.486 . 0 0 "[ . 1 . 2]" 1
367 1 132 GLU H 1 148 VAL H 0.000 . 4.000 3.317 2.989 3.609 . 0 0 "[ . 1 . 2]" 1
368 1 131 GLY HA3 1 132 GLU H 0.000 . 5.000 3.317 3.201 3.407 . 0 0 "[ . 1 . 2]" 1
369 1 130 PRO HA 1 132 GLU H 0.000 . 4.000 3.408 3.345 3.476 . 0 0 "[ . 1 . 2]" 1
370 1 131 GLY HA2 1 132 GLU H 0.000 . 5.000 3.275 3.164 3.380 . 0 0 "[ . 1 . 2]" 1
371 1 132 GLU H 1 147 VAL MG1 0.000 . 4.000 2.831 2.536 3.222 . 0 0 "[ . 1 . 2]" 1
372 1 132 GLU HA 1 147 VAL QG 0.000 . 6.000 3.453 3.078 3.872 . 0 0 "[ . 1 . 2]" 1
373 1 129 GLU H 1 132 GLU QB 0.000 . 5.000 2.346 2.232 2.547 . 0 0 "[ . 1 . 2]" 1
374 1 128 PHE H 1 132 GLU QB 0.000 . 6.000 5.975 5.937 6.004 0.004 2 0 "[ . 1 . 2]" 1
375 1 132 GLU QB 1 148 VAL QG 0.000 . 4.000 2.572 2.022 3.402 . 0 0 "[ . 1 . 2]" 1
376 1 128 PHE QE 1 132 GLU QB 0.000 . 6.000 5.628 4.934 5.999 . 0 0 "[ . 1 . 2]" 1
377 1 130 PRO HA 1 131 GLY H 0.000 . 4.000 2.203 2.197 2.214 . 0 0 "[ . 1 . 2]" 1
378 1 130 PRO HB3 1 131 GLY H 0.000 . 5.000 4.031 3.950 4.119 . 0 0 "[ . 1 . 2]" 1
379 1 130 PRO HB3 1 148 VAL QG 0.000 . 5.000 4.008 3.803 4.319 . 0 0 "[ . 1 . 2]" 1
380 1 128 PHE QD 1 129 GLU H 0.000 . 5.000 4.197 4.013 4.328 . 0 0 "[ . 1 . 2]" 1
381 1 128 PHE HA 1 129 GLU H 0.000 . 3.000 2.224 2.188 2.285 . 0 0 "[ . 1 . 2]" 1
382 1 129 GLU H 1 132 GLU QG 0.000 . 4.000 2.901 1.893 3.842 . 0 0 "[ . 1 . 2]" 1
383 1 129 GLU HA 1 130 PRO HD3 0.000 . 4.000 2.490 2.414 2.550 . 0 0 "[ . 1 . 2]" 1
384 1 129 GLU QG 1 130 PRO HD3 0.000 . 5.000 3.558 2.506 5.053 0.053 3 0 "[ . 1 . 2]" 1
385 1 127 LEU H 1 128 PHE H . 3.500 5.000 4.129 3.500 4.282 . 0 0 "[ . 1 . 2]" 1
386 1 127 LEU HA 1 128 PHE H 0.000 . 3.000 2.273 2.242 2.384 . 0 0 "[ . 1 . 2]" 1
387 1 126 THR HA 1 128 PHE H 0.000 . 5.000 4.890 4.732 5.010 0.010 15 0 "[ . 1 . 2]" 1
388 1 128 PHE HB3 1 148 VAL QG 0.000 . 5.000 2.448 2.087 2.725 . 0 0 "[ . 1 . 2]" 1
389 1 128 PHE HB3 1 151 VAL MG2 0.000 . 5.000 3.356 1.910 4.442 . 0 0 "[ . 1 . 2]" 1
390 1 128 PHE HB2 1 151 VAL MG2 0.000 . 5.000 2.975 2.320 3.881 . 0 0 "[ . 1 . 2]" 1
391 1 128 PHE QD 1 180 LYS QG 0.000 . 5.000 2.815 2.161 4.258 . 0 0 "[ . 1 . 2]" 1
392 1 128 PHE QD 1 134 VAL MG2 0.000 . 5.000 2.800 2.322 3.090 . 0 0 "[ . 1 . 2]" 1
393 1 128 PHE HZ 1 179 GLU HA 0.000 . 5.000 3.656 2.246 4.263 . 0 0 "[ . 1 . 2]" 1
394 1 128 PHE HZ 1 180 LYS QG 0.000 . 5.000 3.956 2.910 4.570 . 0 0 "[ . 1 . 2]" 1
395 1 126 THR HA 1 127 LEU H 0.000 . 4.000 3.007 2.197 3.205 . 0 0 "[ . 1 . 2]" 1
396 1 127 LEU HA 1 180 LYS QE 0.000 . 5.000 4.464 3.755 4.824 . 0 0 "[ . 1 . 2]" 1
397 1 125 LYS HB3 1 127 LEU HG 0.000 . 4.000 3.052 2.136 4.044 0.044 16 0 "[ . 1 . 2]" 1
398 1 125 LYS H 1 126 THR H 0.000 . 5.000 4.387 2.602 4.634 . 0 0 "[ . 1 . 2]" 1
399 1 125 LYS HB3 1 126 THR H 0.000 . 5.000 3.227 2.747 4.465 . 0 0 "[ . 1 . 2]" 1
400 1 125 LYS HB2 1 126 THR H 0.000 . 5.000 3.934 2.713 4.277 . 0 0 "[ . 1 . 2]" 1
401 1 126 THR HA 1 180 LYS HB2 0.000 . 5.000 4.465 3.714 5.003 0.003 19 0 "[ . 1 . 2]" 1
402 1 124 PRO HA 1 125 LYS H 0.000 . 3.000 2.257 2.240 2.287 . 0 0 "[ . 1 . 2]" 1
403 1 125 LYS HA 1 126 THR H 0.000 . 3.000 2.364 2.214 3.065 0.065 19 0 "[ . 1 . 2]" 1
404 1 123 ARG H 1 124 PRO HA 0.000 . 5.000 4.741 4.008 4.995 . 0 0 "[ . 1 . 2]" 1
405 1 124 PRO HA 1 125 LYS HB2 0.000 . 5.000 4.680 4.419 5.686 0.686 16 1 "[ . 1 .+ 2]" 1
406 1 124 PRO HB3 1 125 LYS H 0.000 . 5.000 3.806 3.732 3.850 . 0 0 "[ . 1 . 2]" 1
407 1 145 ASN H 1 162 VAL QG 0.000 . 5.000 3.773 3.248 4.120 . 0 0 "[ . 1 . 2]" 1
408 1 162 VAL H 1 162 VAL HB 0.000 . 3.000 2.705 2.597 2.897 . 0 0 "[ . 1 . 2]" 1
409 1 128 PHE QE 1 158 LEU QD 0.000 . 5.000 2.878 2.488 3.129 . 0 0 "[ . 1 . 2]" 1
410 1 158 LEU HA 1 158 LEU QD 0.000 . 3.000 2.308 1.835 2.937 . 0 0 "[ . 1 . 2]" 1
411 1 158 LEU QD 1 174 ASP HA 0.000 . 5.000 3.916 3.023 4.526 . 0 0 "[ . 1 . 2]" 1
412 1 128 PHE HB2 1 158 LEU QD 0.000 . 5.000 2.531 2.076 3.334 . 0 0 "[ . 1 . 2]" 1
413 1 136 VAL H 1 136 VAL HB 0.000 . 3.000 2.595 2.531 2.657 . 0 0 "[ . 1 . 2]" 1
414 1 147 VAL H 1 147 VAL HB 0.000 . 3.000 2.688 2.613 2.765 . 0 0 "[ . 1 . 2]" 1
415 1 139 GLY HA3 1 142 ALA H 0.000 . 5.000 4.354 4.194 4.541 . 0 0 "[ . 1 . 2]" 1
416 1 139 GLY H 1 142 ALA H 0.000 . 5.000 4.879 4.696 4.995 . 0 0 "[ . 1 . 2]" 1
417 1 150 GLU H 1 159 LYS HG3 0.000 . 5.000 4.500 3.414 4.999 . 0 0 "[ . 1 . 2]" 1
418 1 173 LEU HB3 1 174 ASP H 0.000 . 3.000 2.843 2.618 3.000 0.000 20 0 "[ . 1 . 2]" 1
419 1 166 GLY H 1 166 GLY HA2 0.000 . 2.500 2.492 2.353 2.990 0.490 16 0 "[ . 1 . 2]" 1
420 1 134 VAL H 1 134 VAL MG2 0.000 . 3.000 2.597 2.486 2.694 . 0 0 "[ . 1 . 2]" 1
421 1 134 VAL HA 1 134 VAL MG1 0.000 . 3.000 2.080 2.073 2.086 . 0 0 "[ . 1 . 2]" 1
422 1 133 MET HA 1 134 VAL MG2 0.000 . 4.000 3.241 3.153 3.358 . 0 0 "[ . 1 . 2]" 1
423 1 134 VAL MG2 1 158 LEU QD 0.000 . 5.000 3.276 2.771 3.714 . 0 0 "[ . 1 . 2]" 1
424 1 134 VAL MG1 1 158 LEU QD 0.000 . 4.000 2.894 2.331 3.272 . 0 0 "[ . 1 . 2]" 1
425 1 148 VAL H 1 148 VAL QG 0.000 . 3.000 2.183 1.810 2.769 . 0 0 "[ . 1 . 2]" 1
426 1 148 VAL HA 1 148 VAL QG 0.000 . 3.000 2.214 2.013 2.403 . 0 0 "[ . 1 . 2]" 1
427 1 160 VAL HA 1 160 VAL QG 0.000 . 3.000 2.090 2.027 2.136 . 0 0 "[ . 1 . 2]" 1
428 1 178 VAL H 1 178 VAL MG2 0.000 . 3.000 2.155 1.988 2.329 . 0 0 "[ . 1 . 2]" 1
429 1 178 VAL HA 1 178 VAL MG1 0.000 . 3.000 2.421 2.335 2.483 . 0 0 "[ . 1 . 2]" 1
430 1 134 VAL H 1 134 VAL HB 0.000 . 3.500 2.929 2.860 2.972 . 0 0 "[ . 1 . 2]" 1
431 1 137 ASN HA 1 137 ASN HB2 0.000 . 3.000 2.466 2.402 2.506 . 0 0 "[ . 1 . 2]" 1
432 1 137 ASN HA 1 137 ASN HB3 0.000 . 3.000 2.475 2.435 2.546 . 0 0 "[ . 1 . 2]" 1
433 1 149 GLU HB2 1 150 GLU H 0.000 . 3.000 2.679 2.460 2.804 . 0 0 "[ . 1 . 2]" 1
434 1 151 VAL H 1 151 VAL HB 0.000 . 3.000 2.709 2.654 2.758 . 0 0 "[ . 1 . 2]" 1
435 1 160 VAL H 1 160 VAL HB 0.000 . 3.000 2.679 2.579 2.731 . 0 0 "[ . 1 . 2]" 1
436 1 162 VAL HA 1 162 VAL QG 0.000 . 3.000 2.093 2.004 2.198 . 0 0 "[ . 1 . 2]" 1
437 1 126 THR MG 1 128 PHE QE 0.000 . 5.000 3.529 1.712 4.174 . 0 0 "[ . 1 . 2]" 1
438 1 126 THR MG 1 128 PHE HZ 0.000 . 5.000 4.023 2.302 4.594 . 0 0 "[ . 1 . 2]" 1
439 1 139 GLY HA2 1 141 PHE H 0.000 . 5.000 4.159 4.091 4.285 . 0 0 "[ . 1 . 2]" 1
440 1 144 PHE QD 1 145 ASN H 0.000 . 4.000 3.606 3.397 3.857 . 0 0 "[ . 1 . 2]" 1
441 1 159 LYS H 1 160 VAL H 3.500 3.500 8.500 4.181 3.992 4.340 . 0 0 "[ . 1 . 2]" 1
442 1 179 GLU H 1 180 LYS H 3.500 3.500 8.500 4.515 4.482 4.552 . 0 0 "[ . 1 . 2]" 1
443 1 128 PHE H 1 129 GLU H 3.500 3.500 8.500 4.531 4.415 4.584 . 0 0 "[ . 1 . 2]" 1
444 1 138 ASP H 1 139 GLY H 3.500 3.500 8.500 4.414 4.343 4.467 . 0 0 "[ . 1 . 2]" 1
445 1 141 PHE HB3 1 142 ALA H 3.000 3.000 8.000 4.381 4.324 4.428 . 0 0 "[ . 1 . 2]" 1
446 1 141 PHE HB2 1 142 ALA H 3.000 3.000 8.000 3.734 3.618 3.868 . 0 0 "[ . 1 . 2]" 1
447 1 163 SER H 1 164 ILE H 4.000 4.000 9.000 4.017 3.978 4.148 0.022 8 0 "[ . 1 . 2]" 1
448 1 164 ILE H 1 165 PHE H 3.500 3.500 8.500 4.539 4.465 4.612 . 0 0 "[ . 1 . 2]" 1
449 1 135 ARG H 1 136 VAL H 4.000 4.000 9.000 4.397 4.313 4.460 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 2.690
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0048
_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
1 129 GLU 0.005 0.005 15 0 "[ . 1 . 2]"
1 132 GLU 0.005 0.005 15 0 "[ . 1 . 2]"
1 133 MET 0.028 0.007 17 0 "[ . 1 . 2]"
1 134 VAL 0.056 0.011 11 0 "[ . 1 . 2]"
1 135 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ASN 0.001 0.001 2 0 "[ . 1 . 2]"
1 146 GLY 0.056 0.011 11 0 "[ . 1 . 2]"
1 148 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 149 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 ASP 0.034 0.011 4 0 "[ . 1 . 2]"
1 157 ARG 0.034 0.011 4 0 "[ . 1 . 2]"
1 158 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 160 VAL 0.010 0.009 14 0 "[ . 1 . 2]"
1 171 VAL 0.010 0.009 14 0 "[ . 1 . 2]"
1 173 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 177 GLN 0.001 0.001 2 0 "[ . 1 . 2]"
1 179 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 181 ALA 0.028 0.007 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 133 MET O 1 181 ALA H 0.000 . 2.300 2.284 2.183 2.307 0.007 17 0 "[ . 1 . 2]" 2
2 1 133 MET O 1 181 ALA N 0.000 . 3.300 3.159 3.029 3.284 . 0 0 "[ . 1 . 2]" 2
3 1 132 GLU O 1 148 VAL H 0.000 . 2.300 2.051 1.842 2.237 . 0 0 "[ . 1 . 2]" 2
4 1 132 GLU O 1 148 VAL N 0.000 . 3.300 2.963 2.673 3.104 . 0 0 "[ . 1 . 2]" 2
5 1 129 GLU O 1 132 GLU H 0.000 . 2.300 2.132 1.946 2.305 0.005 15 0 "[ . 1 . 2]" 2
6 1 129 GLU O 1 132 GLU N 0.000 . 3.300 2.858 2.744 2.962 . 0 0 "[ . 1 . 2]" 2
7 1 134 VAL H 1 146 GLY O 0.000 . 2.300 1.624 1.573 1.766 . 0 0 "[ . 1 . 2]" 2
8 1 134 VAL N 1 146 GLY O 0.000 . 3.300 2.575 2.512 2.707 . 0 0 "[ . 1 . 2]" 2
9 1 134 VAL O 1 146 GLY H 0.000 . 2.300 2.295 2.230 2.311 0.011 11 0 "[ . 1 . 2]" 2
10 1 134 VAL O 1 146 GLY N 0.000 . 3.300 3.251 3.158 3.288 . 0 0 "[ . 1 . 2]" 2
11 1 135 ARG H 1 179 GLU O 0.000 . 2.300 1.899 1.698 2.255 . 0 0 "[ . 1 . 2]" 2
12 1 135 ARG N 1 179 GLU O 0.000 . 3.300 2.607 2.430 2.880 . 0 0 "[ . 1 . 2]" 2
13 1 135 ARG O 1 179 GLU H 0.000 . 2.300 1.711 1.572 2.018 . 0 0 "[ . 1 . 2]" 2
14 1 135 ARG O 1 179 GLU N 0.000 . 3.300 2.584 2.438 2.884 . 0 0 "[ . 1 . 2]" 2
15 1 137 ASN H 1 177 GLN O 0.000 . 2.300 2.285 2.146 2.301 0.001 2 0 "[ . 1 . 2]" 2
16 1 137 ASN N 1 177 GLN O 0.000 . 3.300 3.255 3.090 3.276 . 0 0 "[ . 1 . 2]" 2
17 1 149 GLU H 1 159 LYS O 0.000 . 2.300 2.045 1.706 2.298 . 0 0 "[ . 1 . 2]" 2
18 1 149 GLU N 1 159 LYS O 0.000 . 3.300 2.753 2.522 3.036 . 0 0 "[ . 1 . 2]" 2
19 1 150 GLU O 1 159 LYS H 0.000 . 2.300 1.995 1.775 2.268 . 0 0 "[ . 1 . 2]" 2
20 1 150 GLU O 1 159 LYS N 0.000 . 3.300 2.875 2.607 3.144 . 0 0 "[ . 1 . 2]" 2
21 1 152 ASP H 1 157 ARG O 0.000 . 2.300 2.154 1.788 2.311 0.011 4 0 "[ . 1 . 2]" 2
22 1 152 ASP N 1 157 ARG O 0.000 . 3.300 2.991 2.637 3.269 . 0 0 "[ . 1 . 2]" 2
23 1 152 ASP O 1 157 ARG H 0.000 . 2.300 2.101 1.848 2.302 0.002 15 0 "[ . 1 . 2]" 2
24 1 152 ASP O 1 157 ARG N 0.000 . 3.300 3.035 2.794 3.206 . 0 0 "[ . 1 . 2]" 2
25 1 158 LEU H 1 173 LEU O 0.000 . 2.300 2.067 1.743 2.248 . 0 0 "[ . 1 . 2]" 2
26 1 158 LEU N 1 173 LEU O 0.000 . 3.300 2.989 2.723 3.158 . 0 0 "[ . 1 . 2]" 2
27 1 158 LEU O 1 173 LEU H 0.000 . 2.300 2.028 1.788 2.283 . 0 0 "[ . 1 . 2]" 2
28 1 158 LEU O 1 173 LEU N 0.000 . 3.300 2.931 2.705 3.164 . 0 0 "[ . 1 . 2]" 2
29 1 160 VAL H 1 171 VAL O 0.000 . 2.300 2.132 1.732 2.309 0.009 14 0 "[ . 1 . 2]" 2
30 1 160 VAL N 1 171 VAL O 0.000 . 3.300 2.943 2.611 3.114 . 0 0 "[ . 1 . 2]" 2
31 1 160 VAL O 1 171 VAL H 0.000 . 2.300 1.886 1.646 2.156 . 0 0 "[ . 1 . 2]" 2
32 1 160 VAL O 1 171 VAL N 0.000 . 3.300 2.802 2.578 3.042 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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