NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534436 |
2l7y   |
17381 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7y
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 851
_Distance_constraint_stats_list.Viol_count 1007
_Distance_constraint_stats_list.Viol_total 787.645
_Distance_constraint_stats_list.Viol_max 0.538
_Distance_constraint_stats_list.Viol_rms 0.0146
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0391
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 0.516 0.089 18 0 "[ . 1 . 2]"
1 5 THR 1.321 0.122 11 0 "[ . 1 . 2]"
1 6 ILE 0.440 0.056 2 0 "[ . 1 . 2]"
1 7 LEU 0.407 0.087 18 0 "[ . 1 . 2]"
1 8 GLY 0.193 0.058 11 0 "[ . 1 . 2]"
1 9 ILE 0.404 0.058 11 0 "[ . 1 . 2]"
1 10 GLU 0.467 0.051 9 0 "[ . 1 . 2]"
1 11 VAL 0.003 0.003 7 0 "[ . 1 . 2]"
1 12 SER 0.054 0.015 11 0 "[ . 1 . 2]"
1 13 GLN 2.952 0.143 18 0 "[ . 1 . 2]"
1 14 GLU 1.570 0.143 18 0 "[ . 1 . 2]"
1 15 PRO 0.040 0.026 13 0 "[ . 1 . 2]"
1 16 LYS 2.583 0.198 16 0 "[ . 1 . 2]"
1 17 LYS 2.963 0.198 16 0 "[ . 1 . 2]"
1 18 ASP 0.545 0.081 19 0 "[ . 1 . 2]"
1 19 TYR 1.394 0.079 19 0 "[ . 1 . 2]"
1 20 LEU 0.453 0.099 20 0 "[ . 1 . 2]"
1 21 VAL 0.809 0.099 20 0 "[ . 1 . 2]"
1 22 GLY 0.113 0.065 6 0 "[ . 1 . 2]"
1 23 ASP 0.578 0.066 11 0 "[ . 1 . 2]"
1 24 SER 0.147 0.065 6 0 "[ . 1 . 2]"
1 25 LEU 0.615 0.080 4 0 "[ . 1 . 2]"
1 26 ASP 1.204 0.538 9 1 "[ . +1 . 2]"
1 27 LEU 1.159 0.538 9 1 "[ . +1 . 2]"
1 28 SER 1.211 0.140 20 0 "[ . 1 . 2]"
1 29 GLU 0.134 0.028 12 0 "[ . 1 . 2]"
1 30 GLY 1.137 0.076 16 0 "[ . 1 . 2]"
1 31 ARG 3.673 0.191 18 0 "[ . 1 . 2]"
1 32 PHE 0.800 0.096 5 0 "[ . 1 . 2]"
1 33 ALA 0.222 0.046 9 0 "[ . 1 . 2]"
1 34 VAL 0.863 0.122 11 0 "[ . 1 . 2]"
1 35 ALA 0.189 0.036 7 0 "[ . 1 . 2]"
1 36 TYR 0.288 0.046 11 0 "[ . 1 . 2]"
1 37 SER 0.332 0.056 2 0 "[ . 1 . 2]"
1 38 ASN 0.750 0.089 18 0 "[ . 1 . 2]"
1 39 ASP 0.019 0.016 2 0 "[ . 1 . 2]"
1 40 THR 0.538 0.039 16 0 "[ . 1 . 2]"
1 41 MET 0.269 0.039 16 0 "[ . 1 . 2]"
1 42 GLU 0.012 0.005 9 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.146 0.036 8 0 "[ . 1 . 2]"
1 45 SER 3.537 0.191 18 0 "[ . 1 . 2]"
1 46 PHE 0.381 0.081 15 0 "[ . 1 . 2]"
1 47 THR 0.581 0.081 15 0 "[ . 1 . 2]"
1 48 ASP 1.032 0.354 12 0 "[ . 1 . 2]"
1 49 GLU 1.949 0.354 12 0 "[ . 1 . 2]"
1 50 GLY 0.592 0.063 19 0 "[ . 1 . 2]"
1 51 VAL 0.032 0.019 6 0 "[ . 1 . 2]"
1 52 GLU 1.187 0.115 12 0 "[ . 1 . 2]"
1 53 ILE 1.380 0.115 12 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.761 0.118 12 0 "[ . 1 . 2]"
1 56 TYR 3.095 0.206 12 0 "[ . 1 . 2]"
1 57 ASP 0.996 0.085 4 0 "[ . 1 . 2]"
1 58 ALA 0.742 0.194 17 0 "[ . 1 . 2]"
1 59 GLN 0.199 0.194 17 0 "[ . 1 . 2]"
1 60 LYS 0.873 0.232 17 0 "[ . 1 . 2]"
1 61 THR 1.814 0.232 17 0 "[ . 1 . 2]"
1 62 GLY 0.744 0.062 20 0 "[ . 1 . 2]"
1 63 ARG 0.265 0.044 2 0 "[ . 1 . 2]"
1 64 GLN 2.706 0.227 16 0 "[ . 1 . 2]"
1 65 THR 4.803 0.227 16 0 "[ . 1 . 2]"
1 66 LEU 4.169 0.206 12 0 "[ . 1 . 2]"
1 67 THR 2.102 0.161 18 0 "[ . 1 . 2]"
1 68 LEU 1.540 0.161 18 0 "[ . 1 . 2]"
1 69 HIS 0.182 0.026 9 0 "[ . 1 . 2]"
1 70 TYR 0.154 0.046 13 0 "[ . 1 . 2]"
1 71 GLN 0.053 0.017 8 0 "[ . 1 . 2]"
1 72 GLY 0.044 0.020 10 0 "[ . 1 . 2]"
1 73 HIS 0.126 0.046 13 0 "[ . 1 . 2]"
1 74 GLU 1.298 0.103 12 0 "[ . 1 . 2]"
1 75 VAL 0.479 0.112 7 0 "[ . 1 . 2]"
1 76 SER 0.352 0.050 20 0 "[ . 1 . 2]"
1 77 PHE 0.196 0.047 18 0 "[ . 1 . 2]"
1 78 ASP 0.312 0.104 10 0 "[ . 1 . 2]"
1 79 VAL 2.743 0.221 16 0 "[ . 1 . 2]"
1 80 LEU 0.629 0.079 19 0 "[ . 1 . 2]"
1 81 VAL 2.491 0.132 16 0 "[ . 1 . 2]"
1 82 SER 0.137 0.099 6 0 "[ . 1 . 2]"
1 83 PRO 0.424 0.077 18 0 "[ . 1 . 2]"
1 84 LYS 0.965 0.104 14 0 "[ . 1 . 2]"
1 85 ALA 0.104 0.104 14 0 "[ . 1 . 2]"
1 86 ALA 0.506 0.339 8 0 "[ . 1 . 2]"
1 87 LEU 0.506 0.339 8 0 "[ . 1 . 2]"
1 88 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.001 0.001 9 0 "[ . 1 . 2]"
1 90 GLU 0.001 0.001 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO HA 1 4 LYS H 1.800 . 3.000 2.212 2.178 2.271 . 0 0 "[ . 1 . 2]" 1
2 1 3 PRO QB 1 4 LYS HA 1.800 . 4.500 4.329 4.222 4.480 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS HA 1 5 THR HA 1.800 . 5.500 4.401 4.392 4.413 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS HA 1 5 THR MG 1.800 . 5.500 4.795 4.164 5.238 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS HA 1 38 ASN HB2 1.800 . 6.500 5.034 3.287 5.943 . 0 0 "[ . 1 . 2]" 1
6 1 4 LYS HA 1 38 ASN HB3 1.800 . 6.500 6.039 4.636 6.589 0.089 18 0 "[ . 1 . 2]" 1
7 1 4 LYS QB 1 5 THR H 1.800 . 5.300 3.703 2.768 3.962 . 0 0 "[ . 1 . 2]" 1
8 1 4 LYS HA 1 5 THR H 1.800 . 3.000 2.183 2.149 2.271 . 0 0 "[ . 1 . 2]" 1
9 1 5 THR H 1 5 THR MG 1.800 . 4.800 3.568 3.232 3.863 . 0 0 "[ . 1 . 2]" 1
10 1 5 THR H 1 36 TYR HA 1.800 . 6.000 5.591 4.651 6.039 0.039 16 0 "[ . 1 . 2]" 1
11 1 5 THR H 1 37 SER H 1.800 . 5.500 4.595 3.502 5.471 . 0 0 "[ . 1 . 2]" 1
12 1 5 THR H 1 37 SER QB 1.800 . 6.500 4.650 2.766 6.352 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS QG 1 5 THR HA 1.800 . 3.800 3.782 3.701 3.820 0.020 7 0 "[ . 1 . 2]" 1
14 1 5 THR HA 1 6 ILE HA 1.800 . 6.300 4.365 4.310 4.407 . 0 0 "[ . 1 . 2]" 1
15 1 5 THR HA 1 6 ILE MG 1.800 . 6.300 3.615 3.304 5.484 . 0 0 "[ . 1 . 2]" 1
16 1 5 THR HA 1 34 VAL MG1 1.800 . 6.500 6.536 6.502 6.622 0.122 11 0 "[ . 1 . 2]" 1
17 1 5 THR HA 1 34 VAL MG2 1.800 . 6.500 6.027 5.388 6.475 . 0 0 "[ . 1 . 2]" 1
18 1 5 THR HA 1 6 ILE H 1.800 . 3.800 2.291 2.141 2.440 . 0 0 "[ . 1 . 2]" 1
19 1 5 THR HB 1 6 ILE H 1.800 . 4.500 3.101 2.340 3.669 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR MG 1 6 ILE H 1.800 . 4.800 3.057 2.166 3.488 . 0 0 "[ . 1 . 2]" 1
21 1 6 ILE H 1 6 ILE HB 1.800 . 4.300 3.560 2.566 3.765 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE H 1 6 ILE QG 1.800 . 5.000 2.790 1.969 4.124 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE H 1 7 LEU H 1.800 . 6.300 4.554 4.418 4.619 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR MG 1 6 ILE HA 1.800 . 6.300 5.158 4.512 5.424 . 0 0 "[ . 1 . 2]" 1
25 1 6 ILE HA 1 36 TYR HA 1.800 . 3.500 2.175 1.985 2.551 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE HA 1 36 TYR QB 1.800 . 5.500 3.991 3.711 4.249 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE HA 1 37 SER HA 1.800 . 5.500 5.353 4.593 5.539 0.039 18 0 "[ . 1 . 2]" 1
28 1 6 ILE MG 1 34 VAL MG2 1.800 . 5.500 1.938 1.772 2.527 0.028 2 0 "[ . 1 . 2]" 1
29 1 6 ILE MG 1 35 ALA H 1.800 . 5.500 4.191 2.461 5.136 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE MG 1 36 TYR HA 1.800 . 5.500 3.245 2.090 4.534 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE MG 1 36 TYR QB 1.800 . 5.500 3.867 2.952 5.546 0.046 11 0 "[ . 1 . 2]" 1
32 1 5 THR HB 1 7 LEU H 1.800 . 6.000 5.895 5.272 6.087 0.087 18 0 "[ . 1 . 2]" 1
33 1 6 ILE HA 1 7 LEU H 1.800 . 4.500 2.469 2.167 2.674 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE HB 1 7 LEU H 1.800 . 4.500 2.459 1.947 4.066 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE QG 1 7 LEU H 1.800 . 4.800 3.222 2.213 4.173 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU H 1 7 LEU QD 1.800 . 4.800 3.748 3.034 4.093 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU H 1 8 GLY H 1.800 . 4.500 2.009 1.889 2.326 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU H 1 35 ALA H 1.800 . 5.000 4.355 3.717 5.031 0.031 2 0 "[ . 1 . 2]" 1
39 1 7 LEU H 1 36 TYR HA 1.800 . 4.000 3.553 3.217 3.923 . 0 0 "[ . 1 . 2]" 1
40 1 7 LEU HA 1 8 GLY QA 1.800 . 6.300 4.293 4.214 4.369 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU HA 1 8 GLY H 1.800 . 5.300 3.534 3.416 3.575 . 0 0 "[ . 1 . 2]" 1
42 1 7 LEU QD 1 8 GLY H 1.800 . 4.800 3.626 2.240 4.287 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLY H 1 34 VAL QG 1.800 . 6.000 4.103 3.591 5.549 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLY H 1 35 ALA HA 1.800 . 6.000 5.394 4.399 5.738 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLY H 1 35 ALA MB 1.800 . 4.500 3.187 2.249 3.748 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLY H 1 35 ALA H 1.800 . 4.000 3.785 3.102 4.024 0.024 8 0 "[ . 1 . 2]" 1
47 1 8 GLY H 1 36 TYR H 1.800 . 6.500 5.746 4.864 6.036 . 0 0 "[ . 1 . 2]" 1
48 1 8 GLY H 1 36 TYR HA 1.800 . 5.500 4.751 4.293 5.184 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU H 1 9 ILE H 1.800 . 6.500 6.022 5.731 6.334 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLY HA3 1 9 ILE H 1.800 . 3.000 2.947 2.769 3.058 0.058 11 0 "[ . 1 . 2]" 1
51 1 8 GLY HA2 1 9 ILE H 1.800 . 3.000 2.252 2.188 2.376 . 0 0 "[ . 1 . 2]" 1
52 1 8 GLY H 1 9 ILE H 1.800 . 5.300 4.514 4.342 4.596 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE H 1 9 ILE MD 1.800 . 5.300 4.505 4.109 4.759 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE H 1 10 GLU QG 1.800 . 6.300 5.058 4.044 6.234 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE HA 1 10 GLU HA 1.800 . 6.300 4.426 4.408 4.443 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE HA 1 33 ALA H 1.800 . 6.000 5.691 5.166 5.931 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE HA 1 34 VAL HA 1.800 . 4.000 2.735 2.490 3.058 . 0 0 "[ . 1 . 2]" 1
58 1 9 ILE HA 1 34 VAL HB 1.800 . 5.000 4.473 4.007 5.040 0.040 11 0 "[ . 1 . 2]" 1
59 1 9 ILE HA 1 10 GLU H 1.800 . 3.000 2.223 2.159 2.259 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE MD 1 10 GLU H 1.800 . 5.300 3.724 2.559 4.750 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLU H 1 10 GLU QG 1.800 . 4.800 3.954 3.618 4.244 . 0 0 "[ . 1 . 2]" 1
62 1 10 GLU H 1 11 VAL HA 1.800 . 5.500 4.737 4.657 4.835 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLU H 1 32 PHE HB2 1.800 . 5.500 4.449 4.262 4.938 . 0 0 "[ . 1 . 2]" 1
64 1 10 GLU H 1 32 PHE HB3 1.800 . 6.000 5.980 5.512 6.051 0.051 9 0 "[ . 1 . 2]" 1
65 1 10 GLU H 1 33 ALA MB 1.800 . 4.500 3.935 3.464 4.216 . 0 0 "[ . 1 . 2]" 1
66 1 10 GLU H 1 33 ALA H 1.800 . 4.000 3.846 3.403 4.032 0.032 2 0 "[ . 1 . 2]" 1
67 1 10 GLU H 1 34 VAL H 1.800 . 5.500 5.162 4.966 5.322 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLU H 1 34 VAL HA 1.800 . 4.000 3.364 3.027 3.818 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE MG 1 10 GLU HA 1.800 . 4.800 3.784 3.351 4.081 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLU HA 1 11 VAL QG 1.800 . 6.300 3.682 3.595 3.820 . 0 0 "[ . 1 . 2]" 1
71 1 11 VAL H 1 32 PHE HA 1.800 . 6.500 6.026 5.823 6.198 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE MG 1 11 VAL H 1.800 . 5.300 4.660 3.904 5.071 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLU HA 1 11 VAL H 1.800 . 3.000 2.147 2.146 2.148 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLU QB 1 11 VAL H 1.800 . 4.500 3.494 3.317 3.650 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL H 1 11 VAL HB 1.800 . 3.800 2.683 2.517 2.745 . 0 0 "[ . 1 . 2]" 1
76 1 11 VAL H 1 12 SER H 1.800 . 6.300 4.526 4.425 4.589 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE MG 1 11 VAL HA 1.800 . 6.300 5.540 3.905 6.283 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL HA 1 32 PHE HB2 1.800 . 4.500 3.720 3.040 4.457 . 0 0 "[ . 1 . 2]" 1
79 1 11 VAL HA 1 32 PHE HB3 1.800 . 4.500 3.897 2.955 4.503 0.003 7 0 "[ . 1 . 2]" 1
80 1 11 VAL HA 1 32 PHE HA 1.800 . 4.000 3.663 3.433 3.906 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL HA 1 12 SER H 1.800 . 4.500 2.157 2.140 2.188 . 0 0 "[ . 1 . 2]" 1
82 1 11 VAL QG 1 12 SER H 1.800 . 4.500 2.428 2.118 2.727 . 0 0 "[ . 1 . 2]" 1
83 1 12 SER H 1 13 GLN H 1.800 . 4.500 2.185 1.897 2.493 . 0 0 "[ . 1 . 2]" 1
84 1 12 SER H 1 32 PHE HA 1.800 . 4.000 2.572 2.244 2.767 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER H 1 32 PHE HB2 1.800 . 4.500 4.023 3.538 4.515 0.015 11 0 "[ . 1 . 2]" 1
86 1 12 SER H 1 32 PHE HB3 1.800 . 4.500 3.748 3.020 4.167 . 0 0 "[ . 1 . 2]" 1
87 1 12 SER H 1 33 ALA H 1.800 . 4.500 3.663 3.229 3.954 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL QG 1 12 SER HA 1.800 . 6.300 3.300 3.129 3.436 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL HA 1 13 GLN H 1.800 . 4.500 3.708 3.438 3.956 . 0 0 "[ . 1 . 2]" 1
90 1 11 VAL QG 1 13 GLN H 1.800 . 4.500 2.117 1.959 2.310 . 0 0 "[ . 1 . 2]" 1
91 1 12 SER QB 1 13 GLN H 1.800 . 6.000 3.766 3.656 3.889 . 0 0 "[ . 1 . 2]" 1
92 1 12 SER HA 1 13 GLN H 1.800 . 5.300 2.956 2.839 3.069 . 0 0 "[ . 1 . 2]" 1
93 1 13 GLN H 1 13 GLN QG 1.800 . 5.300 2.078 1.914 2.249 . 0 0 "[ . 1 . 2]" 1
94 1 13 GLN H 1 14 GLU H 1.800 . 5.300 4.528 4.461 4.572 . 0 0 "[ . 1 . 2]" 1
95 1 13 GLN H 1 30 GLY HA2 1.800 . 5.500 4.876 4.565 5.079 . 0 0 "[ . 1 . 2]" 1
96 1 13 GLN H 1 30 GLY HA3 1.800 . 6.500 6.274 5.781 6.563 0.063 18 0 "[ . 1 . 2]" 1
97 1 13 GLN H 1 31 ARG H 1.800 . 5.000 4.730 4.391 4.934 . 0 0 "[ . 1 . 2]" 1
98 1 13 GLN H 1 31 ARG QG 1.800 . 5.500 4.854 4.566 5.244 . 0 0 "[ . 1 . 2]" 1
99 1 13 GLN H 1 32 PHE HA 1.800 . 4.500 4.204 3.758 4.447 . 0 0 "[ . 1 . 2]" 1
100 1 13 GLN H 1 32 PHE QB 1.800 . 6.000 4.670 4.075 5.077 . 0 0 "[ . 1 . 2]" 1
101 1 13 GLN H 1 33 ALA H 1.800 . 6.000 5.748 5.386 6.033 0.033 20 0 "[ . 1 . 2]" 1
102 1 11 VAL QG 1 13 GLN HA 1.800 . 6.300 4.487 4.345 4.648 . 0 0 "[ . 1 . 2]" 1
103 1 13 GLN HA 1 30 GLY HA2 1.800 . 4.500 2.486 1.996 2.897 . 0 0 "[ . 1 . 2]" 1
104 1 11 VAL MG2 1 14 GLU H 1.800 . 6.300 5.798 5.646 5.996 . 0 0 "[ . 1 . 2]" 1
105 1 13 GLN HA 1 14 GLU H 1.800 . 3.000 2.171 2.159 2.227 . 0 0 "[ . 1 . 2]" 1
106 1 13 GLN QB 1 14 GLU H 1.800 . 3.000 3.072 2.867 3.143 0.143 18 0 "[ . 1 . 2]" 1
107 1 14 GLU H 1 29 GLU QB 1.800 . 4.500 3.165 2.519 3.719 . 0 0 "[ . 1 . 2]" 1
108 1 14 GLU H 1 30 GLY QA 1.800 . 4.500 2.610 2.092 3.203 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLU H 1 31 ARG QD 1.800 . 6.000 4.481 3.701 4.979 . 0 0 "[ . 1 . 2]" 1
110 1 15 PRO HA 1 15 PRO QD 1.800 . 4.800 3.381 3.380 3.382 . 0 0 "[ . 1 . 2]" 1
111 1 15 PRO HA 1 29 GLU QB 1.800 . 5.000 4.671 4.242 5.026 0.026 13 0 "[ . 1 . 2]" 1
112 1 15 PRO HA 1 30 GLY QA 1.800 . 6.000 5.497 5.062 5.992 . 0 0 "[ . 1 . 2]" 1
113 1 15 PRO HA 1 16 LYS H 1.800 . 4.800 2.156 2.153 2.165 . 0 0 "[ . 1 . 2]" 1
114 1 16 LYS H 1 16 LYS QG 1.800 . 6.300 4.129 3.877 4.271 . 0 0 "[ . 1 . 2]" 1
115 1 16 LYS H 1 17 LYS HA 1.800 . 6.300 4.806 4.700 4.924 . 0 0 "[ . 1 . 2]" 1
116 1 16 LYS H 1 17 LYS H 1.800 . 6.300 2.989 2.867 3.088 . 0 0 "[ . 1 . 2]" 1
117 1 16 LYS H 1 18 ASP H 1.800 . 6.500 5.532 5.057 5.820 . 0 0 "[ . 1 . 2]" 1
118 1 16 LYS H 1 27 LEU QD 1.800 . 6.500 3.773 3.364 4.605 . 0 0 "[ . 1 . 2]" 1
119 1 16 LYS H 1 30 GLY QA 1.800 . 6.500 5.771 5.336 6.153 . 0 0 "[ . 1 . 2]" 1
120 1 16 LYS HA 1 17 LYS QE 1.800 . 6.300 6.191 4.374 6.498 0.198 16 0 "[ . 1 . 2]" 1
121 1 16 LYS QG 1 17 LYS H 1.800 . 5.500 3.043 2.346 4.012 . 0 0 "[ . 1 . 2]" 1
122 1 16 LYS HA 1 17 LYS H 1.800 . 3.800 3.537 3.524 3.554 . 0 0 "[ . 1 . 2]" 1
123 1 17 LYS H 1 17 LYS QG 1.800 . 4.500 3.391 2.245 4.419 . 0 0 "[ . 1 . 2]" 1
124 1 17 LYS H 1 18 ASP QB 1.800 . 5.500 4.637 4.462 4.982 . 0 0 "[ . 1 . 2]" 1
125 1 17 LYS H 1 18 ASP H 1.800 . 3.800 3.115 2.875 3.531 . 0 0 "[ . 1 . 2]" 1
126 1 16 LYS QG 1 17 LYS HA 1.800 . 6.300 4.350 3.355 5.805 . 0 0 "[ . 1 . 2]" 1
127 1 17 LYS HA 1 79 VAL HB 1.800 . 5.500 5.214 4.707 5.521 0.021 15 0 "[ . 1 . 2]" 1
128 1 17 LYS HA 1 79 VAL QG 1.800 . 5.000 3.769 3.330 4.346 . 0 0 "[ . 1 . 2]" 1
129 1 17 LYS QB 1 79 VAL HA 1.800 . 4.000 2.316 1.952 3.332 . 0 0 "[ . 1 . 2]" 1
130 1 17 LYS QB 1 79 VAL QG 1.800 . 4.500 2.400 1.875 3.497 . 0 0 "[ . 1 . 2]" 1
131 1 17 LYS QG 1 79 VAL QG 1.800 . 6.000 2.870 1.837 4.083 . 0 0 "[ . 1 . 2]" 1
132 1 17 LYS QG 1 79 VAL HA 1.800 . 5.500 3.455 2.015 4.566 . 0 0 "[ . 1 . 2]" 1
133 1 17 LYS QG 1 79 VAL HB 1.800 . 5.500 2.989 1.940 4.519 . 0 0 "[ . 1 . 2]" 1
134 1 16 LYS HA 1 18 ASP H 1.800 . 5.000 4.611 3.924 5.037 0.037 11 0 "[ . 1 . 2]" 1
135 1 17 LYS QE 1 18 ASP H 1.800 . 6.500 5.110 3.251 6.494 . 0 0 "[ . 1 . 2]" 1
136 1 17 LYS QG 1 18 ASP H 1.800 . 5.300 4.427 4.087 4.652 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS QB 1 18 ASP H 1.800 . 5.300 3.923 3.831 4.005 . 0 0 "[ . 1 . 2]" 1
138 1 17 LYS HA 1 18 ASP H 1.800 . 5.300 2.574 2.355 2.845 . 0 0 "[ . 1 . 2]" 1
139 1 18 ASP H 1 19 TYR H 1.800 . 6.300 4.323 4.241 4.456 . 0 0 "[ . 1 . 2]" 1
140 1 18 ASP H 1 19 TYR QB 1.800 . 6.500 4.868 4.365 5.803 . 0 0 "[ . 1 . 2]" 1
141 1 18 ASP H 1 27 LEU HB2 1.800 . 6.000 4.888 4.192 5.321 . 0 0 "[ . 1 . 2]" 1
142 1 18 ASP H 1 27 LEU HB3 1.800 . 6.500 6.300 4.589 6.558 0.058 13 0 "[ . 1 . 2]" 1
143 1 18 ASP H 1 27 LEU HG 1.800 . 6.500 6.345 5.541 6.581 0.081 19 0 "[ . 1 . 2]" 1
144 1 17 LYS HA 1 18 ASP HA 1.800 . 6.300 4.428 4.392 4.505 . 0 0 "[ . 1 . 2]" 1
145 1 18 ASP HA 1 19 TYR QB 1.800 . 6.300 4.258 3.917 4.685 . 0 0 "[ . 1 . 2]" 1
146 1 18 ASP HA 1 79 VAL MG2 1.800 . 5.000 3.448 3.151 4.071 . 0 0 "[ . 1 . 2]" 1
147 1 18 ASP HA 1 80 LEU QB 1.800 . 5.500 4.185 3.834 4.485 . 0 0 "[ . 1 . 2]" 1
148 1 18 ASP HA 1 80 LEU QD 1.800 . 6.000 5.033 4.225 5.589 . 0 0 "[ . 1 . 2]" 1
149 1 18 ASP HA 1 80 LEU H 1.800 . 4.000 3.177 2.545 3.456 . 0 0 "[ . 1 . 2]" 1
150 1 18 ASP HA 1 19 TYR H 1.800 . 3.000 2.149 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
151 1 19 TYR H 1 80 LEU QB 1.800 . 6.500 5.146 4.846 5.431 . 0 0 "[ . 1 . 2]" 1
152 1 19 TYR H 1 81 VAL HB 1.800 . 4.500 4.508 4.138 4.569 0.069 5 0 "[ . 1 . 2]" 1
153 1 19 TYR H 1 81 VAL MG2 1.800 . 5.000 3.839 3.485 4.096 . 0 0 "[ . 1 . 2]" 1
154 1 19 TYR H 1 81 VAL MG1 1.800 . 6.500 5.448 5.178 5.540 . 0 0 "[ . 1 . 2]" 1
155 1 19 TYR H 1 82 SER H 1.800 . 4.500 3.960 3.812 4.206 . 0 0 "[ . 1 . 2]" 1
156 1 19 TYR HA 1 20 LEU HG 1.800 . 6.300 5.000 3.986 6.296 . 0 0 "[ . 1 . 2]" 1
157 1 19 TYR HA 1 23 ASP QB 1.800 . 5.000 4.381 3.755 5.041 0.041 15 0 "[ . 1 . 2]" 1
158 1 19 TYR HB2 1 81 VAL MG2 1.800 . 5.500 4.230 2.520 5.063 . 0 0 "[ . 1 . 2]" 1
159 1 19 TYR HB3 1 81 VAL MG2 1.800 . 5.500 4.469 3.248 5.186 . 0 0 "[ . 1 . 2]" 1
160 1 19 TYR HA 1 20 LEU H 1.800 . 3.800 2.280 2.195 2.325 . 0 0 "[ . 1 . 2]" 1
161 1 19 TYR HB2 1 20 LEU H 1.800 . 5.000 3.328 2.689 4.167 . 0 0 "[ . 1 . 2]" 1
162 1 19 TYR HB3 1 20 LEU H 1.800 . 5.000 3.592 2.760 4.192 . 0 0 "[ . 1 . 2]" 1
163 1 20 LEU H 1 21 VAL H 1.800 . 5.300 4.572 4.518 4.606 . 0 0 "[ . 1 . 2]" 1
164 1 20 LEU H 1 23 ASP H 1.800 . 6.300 4.779 4.330 5.550 . 0 0 "[ . 1 . 2]" 1
165 1 19 TYR HA 1 20 LEU QD 1.800 . 6.300 3.866 2.549 5.268 . 0 0 "[ . 1 . 2]" 1
166 1 20 LEU QD 1 21 VAL H 1.800 . 4.800 3.082 2.286 3.768 . 0 0 "[ . 1 . 2]" 1
167 1 20 LEU QD 1 84 LYS HA 1.800 . 4.000 2.564 1.909 3.537 . 0 0 "[ . 1 . 2]" 1
168 1 20 LEU QD 1 84 LYS QB 1.800 . 4.500 3.430 2.712 4.455 . 0 0 "[ . 1 . 2]" 1
169 1 20 LEU QD 1 84 LYS QE 1.800 . 6.000 4.829 3.293 5.956 . 0 0 "[ . 1 . 2]" 1
170 1 20 LEU HA 1 21 VAL H 1.800 . 3.300 2.284 2.173 2.372 . 0 0 "[ . 1 . 2]" 1
171 1 20 LEU QB 1 21 VAL H 1.800 . 4.800 2.787 2.460 3.651 . 0 0 "[ . 1 . 2]" 1
172 1 21 VAL H 1 22 GLY QA 1.800 . 6.300 5.312 5.217 5.463 . 0 0 "[ . 1 . 2]" 1
173 1 21 VAL H 1 22 GLY H 1.800 . 6.000 4.590 4.539 4.624 . 0 0 "[ . 1 . 2]" 1
174 1 21 VAL H 1 81 VAL MG2 1.800 . 4.000 3.014 2.541 3.655 . 0 0 "[ . 1 . 2]" 1
175 1 21 VAL H 1 82 SER H 1.800 . 4.500 4.148 3.817 4.352 . 0 0 "[ . 1 . 2]" 1
176 1 21 VAL H 1 83 PRO QB 1.800 . 6.500 5.489 4.884 5.958 . 0 0 "[ . 1 . 2]" 1
177 1 21 VAL H 1 84 LYS H 1.800 . 4.000 3.285 2.414 4.048 0.048 9 0 "[ . 1 . 2]" 1
178 1 21 VAL H 1 84 LYS HA 1.800 . 4.000 3.886 3.455 4.099 0.099 19 0 "[ . 1 . 2]" 1
179 1 20 LEU QD 1 21 VAL HA 1.800 . 4.800 4.317 3.737 4.899 0.099 20 0 "[ . 1 . 2]" 1
180 1 21 VAL HA 1 81 VAL MG2 1.800 . 4.000 2.966 2.179 3.758 . 0 0 "[ . 1 . 2]" 1
181 1 21 VAL QG 1 81 VAL HB 1.800 . 5.500 4.614 3.873 5.489 . 0 0 "[ . 1 . 2]" 1
182 1 21 VAL QG 1 82 SER H 1.800 . 6.000 4.090 3.611 4.596 . 0 0 "[ . 1 . 2]" 1
183 1 21 VAL QG 1 84 LYS H 1.800 . 5.500 2.431 1.818 3.536 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HA 1 22 GLY H 1.800 . 6.500 6.050 5.913 6.157 . 0 0 "[ . 1 . 2]" 1
185 1 21 VAL HA 1 22 GLY H 1.800 . 3.000 2.186 2.152 2.220 . 0 0 "[ . 1 . 2]" 1
186 1 21 VAL HB 1 22 GLY H 1.800 . 5.300 3.458 2.920 4.210 . 0 0 "[ . 1 . 2]" 1
187 1 21 VAL QG 1 22 GLY H 1.800 . 4.000 3.036 2.214 3.510 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLY H 1 23 ASP QB 1.800 . 5.000 4.609 4.256 4.922 . 0 0 "[ . 1 . 2]" 1
189 1 22 GLY H 1 24 SER HA 1.800 . 5.500 4.866 4.432 5.501 0.001 1 0 "[ . 1 . 2]" 1
190 1 22 GLY H 1 24 SER H 1.800 . 4.000 3.395 2.830 4.065 0.065 6 0 "[ . 1 . 2]" 1
191 1 19 TYR QB 1 23 ASP H 1.800 . 5.500 4.770 4.456 5.212 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU HA 1 23 ASP H 1.800 . 6.000 5.365 4.940 6.011 0.011 16 0 "[ . 1 . 2]" 1
193 1 21 VAL HB 1 23 ASP H 1.800 . 5.000 5.010 4.939 5.066 0.066 11 0 "[ . 1 . 2]" 1
194 1 21 VAL MG2 1 23 ASP H 1.800 . 5.500 4.916 4.440 5.127 . 0 0 "[ . 1 . 2]" 1
195 1 21 VAL HA 1 23 ASP H 1.800 . 4.000 3.390 3.277 3.591 . 0 0 "[ . 1 . 2]" 1
196 1 21 VAL H 1 23 ASP H 1.800 . 6.300 4.764 4.405 5.278 . 0 0 "[ . 1 . 2]" 1
197 1 22 GLY QA 1 23 ASP H 1.800 . 4.500 2.876 2.815 2.919 . 0 0 "[ . 1 . 2]" 1
198 1 23 ASP H 1 23 ASP HB2 1.800 . 4.000 2.529 2.166 3.068 . 0 0 "[ . 1 . 2]" 1
199 1 23 ASP H 1 23 ASP HB3 1.800 . 4.000 3.129 2.555 3.733 . 0 0 "[ . 1 . 2]" 1
200 1 23 ASP H 1 24 SER QB 1.800 . 6.000 4.789 4.122 5.393 . 0 0 "[ . 1 . 2]" 1
201 1 23 ASP H 1 24 SER H 1.800 . 4.500 2.190 1.880 2.929 . 0 0 "[ . 1 . 2]" 1
202 1 20 LEU QD 1 23 ASP HA 1.800 . 6.000 4.808 3.489 6.056 0.056 20 0 "[ . 1 . 2]" 1
203 1 20 LEU HA 1 23 ASP QB 1.800 . 5.500 4.822 3.970 5.536 0.036 15 0 "[ . 1 . 2]" 1
204 1 20 LEU QD 1 23 ASP QB 1.800 . 5.000 2.883 1.984 4.382 . 0 0 "[ . 1 . 2]" 1
205 1 21 VAL QG 1 24 SER H 1.800 . 6.500 5.066 4.756 5.764 . 0 0 "[ . 1 . 2]" 1
206 1 23 ASP HB3 1 24 SER H 1.800 . 5.000 3.237 2.206 4.290 . 0 0 "[ . 1 . 2]" 1
207 1 23 ASP HB2 1 24 SER H 1.800 . 5.000 3.594 2.852 4.606 . 0 0 "[ . 1 . 2]" 1
208 1 23 ASP HA 1 24 SER H 1.800 . 3.800 3.413 2.670 3.570 . 0 0 "[ . 1 . 2]" 1
209 1 24 SER H 1 25 LEU H 1.800 . 5.500 4.173 2.650 4.646 . 0 0 "[ . 1 . 2]" 1
210 1 24 SER HA 1 25 LEU H 1.800 . 3.000 2.452 2.143 2.814 . 0 0 "[ . 1 . 2]" 1
211 1 24 SER QB 1 25 LEU H 1.800 . 4.500 2.843 2.119 3.897 . 0 0 "[ . 1 . 2]" 1
212 1 25 LEU H 1 25 LEU QD 1.800 . 3.800 3.085 1.887 3.655 . 0 0 "[ . 1 . 2]" 1
213 1 24 SER HA 1 25 LEU HA 1.800 . 6.000 4.380 4.292 4.788 . 0 0 "[ . 1 . 2]" 1
214 1 17 LYS HA 1 26 ASP H 1.800 . 5.000 4.988 4.591 5.093 0.093 6 0 "[ . 1 . 2]" 1
215 1 25 LEU HA 1 26 ASP H 1.800 . 3.000 2.208 2.147 2.392 . 0 0 "[ . 1 . 2]" 1
216 1 25 LEU QB 1 26 ASP H 1.800 . 4.500 3.306 2.410 3.826 . 0 0 "[ . 1 . 2]" 1
217 1 25 LEU QD 1 26 ASP H 1.800 . 5.300 3.333 1.925 4.439 . 0 0 "[ . 1 . 2]" 1
218 1 17 LYS HA 1 27 LEU H 1.800 . 5.000 4.582 3.395 5.031 0.031 4 0 "[ . 1 . 2]" 1
219 1 26 ASP HA 1 27 LEU H 1.800 . 3.000 2.645 2.208 3.538 0.538 9 1 "[ . +1 . 2]" 1
220 1 27 LEU HA 1 46 PHE HB2 1.800 . 6.500 4.995 4.454 6.029 . 0 0 "[ . 1 . 2]" 1
221 1 27 LEU HA 1 46 PHE HB3 1.800 . 6.500 5.554 4.778 6.528 0.028 18 0 "[ . 1 . 2]" 1
222 1 25 LEU HG 1 27 LEU QB 1.800 . 5.800 5.614 4.781 5.826 0.026 10 0 "[ . 1 . 2]" 1
223 1 27 LEU QB 1 46 PHE HB2 1.800 . 6.500 2.731 1.985 4.807 . 0 0 "[ . 1 . 2]" 1
224 1 27 LEU QB 1 46 PHE HB3 1.800 . 6.500 3.734 2.861 5.453 . 0 0 "[ . 1 . 2]" 1
225 1 16 LYS QB 1 28 SER H 1.800 . 6.000 4.285 3.844 4.643 . 0 0 "[ . 1 . 2]" 1
226 1 17 LYS HA 1 28 SER H 1.800 . 4.500 4.504 4.260 4.640 0.140 20 0 "[ . 1 . 2]" 1
227 1 27 LEU QB 1 28 SER H 1.800 . 5.500 3.711 2.965 4.016 . 0 0 "[ . 1 . 2]" 1
228 1 27 LEU HA 1 28 SER H 1.800 . 6.000 2.168 2.139 2.268 . 0 0 "[ . 1 . 2]" 1
229 1 27 LEU QD 1 28 SER HA 1.800 . 4.300 4.017 3.184 4.321 0.021 16 0 "[ . 1 . 2]" 1
230 1 28 SER HA 1 29 GLU QG 1.800 . 5.300 5.223 5.005 5.328 0.028 12 0 "[ . 1 . 2]" 1
231 1 28 SER HA 1 30 GLY QA 1.800 . 6.500 5.430 5.303 5.572 . 0 0 "[ . 1 . 2]" 1
232 1 28 SER HA 1 31 ARG QD 1.800 . 5.500 5.307 4.609 5.517 0.017 11 0 "[ . 1 . 2]" 1
233 1 16 LYS QB 1 29 GLU H 1.800 . 4.500 3.627 3.353 3.876 . 0 0 "[ . 1 . 2]" 1
234 1 17 LYS HA 1 29 GLU H 1.800 . 5.300 5.050 4.808 5.308 0.008 1 0 "[ . 1 . 2]" 1
235 1 28 SER HA 1 29 GLU H 1.800 . 5.300 3.282 3.155 3.509 . 0 0 "[ . 1 . 2]" 1
236 1 29 GLU H 1 30 GLY H 1.800 . 4.500 2.155 2.041 2.450 . 0 0 "[ . 1 . 2]" 1
237 1 16 LYS QB 1 30 GLY H 1.800 . 4.500 4.517 4.392 4.568 0.068 4 0 "[ . 1 . 2]" 1
238 1 16 LYS H 1 30 GLY H 1.800 . 6.300 6.297 6.193 6.376 0.076 16 0 "[ . 1 . 2]" 1
239 1 17 LYS H 1 30 GLY H 1.800 . 5.500 4.800 4.587 4.981 . 0 0 "[ . 1 . 2]" 1
240 1 17 LYS HA 1 30 GLY H 1.800 . 6.000 5.674 5.288 5.999 . 0 0 "[ . 1 . 2]" 1
241 1 28 SER HA 1 30 GLY H 1.800 . 5.000 3.897 3.739 4.025 . 0 0 "[ . 1 . 2]" 1
242 1 29 GLU HA 1 30 GLY H 1.800 . 4.000 3.412 3.367 3.430 . 0 0 "[ . 1 . 2]" 1
243 1 30 GLY H 1 31 ARG QD 1.800 . 6.300 4.770 4.232 5.142 . 0 0 "[ . 1 . 2]" 1
244 1 30 GLY H 1 31 ARG H 1.800 . 5.300 3.805 3.584 3.958 . 0 0 "[ . 1 . 2]" 1
245 1 13 GLN HA 1 31 ARG H 1.800 . 4.500 2.180 1.947 2.431 . 0 0 "[ . 1 . 2]" 1
246 1 13 GLN QG 1 31 ARG H 1.800 . 5.500 4.812 3.706 5.366 . 0 0 "[ . 1 . 2]" 1
247 1 27 LEU QD 1 31 ARG H 1.800 . 6.500 4.506 4.042 4.934 . 0 0 "[ . 1 . 2]" 1
248 1 27 LEU HG 1 31 ARG H 1.800 . 6.000 5.518 5.047 5.896 . 0 0 "[ . 1 . 2]" 1
249 1 28 SER HA 1 31 ARG H 1.800 . 6.500 6.211 5.942 6.502 0.002 12 0 "[ . 1 . 2]" 1
250 1 30 GLY HA3 1 31 ARG H 1.800 . 4.000 3.547 3.511 3.570 . 0 0 "[ . 1 . 2]" 1
251 1 30 GLY HA2 1 31 ARG H 1.800 . 4.000 2.425 2.307 2.598 . 0 0 "[ . 1 . 2]" 1
252 1 31 ARG H 1 31 ARG QD 1.800 . 6.300 2.842 2.322 3.325 . 0 0 "[ . 1 . 2]" 1
253 1 31 ARG H 1 31 ARG QG 1.800 . 5.300 2.381 2.270 2.423 . 0 0 "[ . 1 . 2]" 1
254 1 31 ARG H 1 44 HIS H 1.800 . 6.500 6.319 6.032 6.536 0.036 8 0 "[ . 1 . 2]" 1
255 1 31 ARG H 1 45 SER HA 1.800 . 4.000 4.141 4.093 4.191 0.191 18 0 "[ . 1 . 2]" 1
256 1 31 ARG H 1 45 SER QB 1.800 . 5.000 3.596 3.228 3.847 . 0 0 "[ . 1 . 2]" 1
257 1 31 ARG HA 1 45 SER HA 1.800 . 4.800 2.036 1.965 2.354 . 0 0 "[ . 1 . 2]" 1
258 1 31 ARG HA 1 45 SER QB 1.800 . 5.500 3.239 2.967 3.445 . 0 0 "[ . 1 . 2]" 1
259 1 28 SER HA 1 31 ARG HA 1.800 . 6.300 6.281 6.081 6.393 0.093 18 0 "[ . 1 . 2]" 1
260 1 31 ARG HD2 1 45 SER HA 1.800 . 5.000 4.954 4.530 5.018 0.018 8 0 "[ . 1 . 2]" 1
261 1 31 ARG HD3 1 45 SER HA 1.800 . 5.000 4.959 4.757 5.018 0.018 8 0 "[ . 1 . 2]" 1
262 1 13 GLN H 1 32 PHE H 1.800 . 6.300 6.211 5.752 6.396 0.096 5 0 "[ . 1 . 2]" 1
263 1 31 ARG HA 1 32 PHE H 1.800 . 3.800 2.297 2.203 2.317 . 0 0 "[ . 1 . 2]" 1
264 1 31 ARG QB 1 32 PHE H 1.800 . 4.800 2.711 2.607 2.994 . 0 0 "[ . 1 . 2]" 1
265 1 31 ARG QG 1 32 PHE H 1.800 . 5.300 3.565 3.457 3.746 . 0 0 "[ . 1 . 2]" 1
266 1 31 ARG HD2 1 32 PHE H 1.800 . 6.000 5.651 5.525 5.781 . 0 0 "[ . 1 . 2]" 1
267 1 31 ARG HD3 1 32 PHE H 1.800 . 6.000 5.775 5.689 6.006 0.006 8 0 "[ . 1 . 2]" 1
268 1 32 PHE H 1 33 ALA H 1.800 . 6.300 4.462 4.439 4.478 . 0 0 "[ . 1 . 2]" 1
269 1 32 PHE H 1 43 GLU HA 1.800 . 5.500 4.368 4.205 4.840 . 0 0 "[ . 1 . 2]" 1
270 1 32 PHE H 1 44 HIS H 1.800 . 4.000 2.961 2.848 3.300 . 0 0 "[ . 1 . 2]" 1
271 1 32 PHE H 1 44 HIS HA 1.800 . 6.000 5.127 5.042 5.425 . 0 0 "[ . 1 . 2]" 1
272 1 32 PHE H 1 44 HIS QB 1.800 . 5.500 4.301 4.142 4.568 . 0 0 "[ . 1 . 2]" 1
273 1 32 PHE H 1 45 SER H 1.800 . 6.300 5.366 5.277 5.717 . 0 0 "[ . 1 . 2]" 1
274 1 32 PHE H 1 45 SER HA 1.800 . 5.000 3.843 3.704 4.180 . 0 0 "[ . 1 . 2]" 1
275 1 32 PHE H 1 45 SER QB 1.800 . 6.000 5.061 4.822 5.274 . 0 0 "[ . 1 . 2]" 1
276 1 32 PHE H 1 46 PHE H 1.800 . 6.000 5.025 4.790 5.408 . 0 0 "[ . 1 . 2]" 1
277 1 10 GLU H 1 32 PHE HA 1.800 . 6.000 5.609 5.227 5.846 . 0 0 "[ . 1 . 2]" 1
278 1 11 VAL QG 1 32 PHE HA 1.800 . 6.000 4.359 4.128 4.598 . 0 0 "[ . 1 . 2]" 1
279 1 32 PHE HA 1 33 ALA MB 1.800 . 6.300 3.884 3.834 3.938 . 0 0 "[ . 1 . 2]" 1
280 1 9 ILE MD 1 33 ALA H 1.800 . 6.300 5.319 4.175 6.346 0.046 9 0 "[ . 1 . 2]" 1
281 1 10 GLU QB 1 33 ALA H 1.800 . 5.000 3.766 3.527 3.986 . 0 0 "[ . 1 . 2]" 1
282 1 10 GLU QG 1 33 ALA H 1.800 . 6.500 5.723 5.135 5.956 . 0 0 "[ . 1 . 2]" 1
283 1 11 VAL HA 1 33 ALA H 1.800 . 4.500 3.976 3.763 4.213 . 0 0 "[ . 1 . 2]" 1
284 1 11 VAL QG 1 33 ALA H 1.800 . 6.500 4.990 4.847 5.195 . 0 0 "[ . 1 . 2]" 1
285 1 12 SER QB 1 33 ALA H 1.800 . 5.000 2.928 2.574 3.151 . 0 0 "[ . 1 . 2]" 1
286 1 12 SER HA 1 33 ALA H 1.800 . 6.000 5.374 5.089 5.543 . 0 0 "[ . 1 . 2]" 1
287 1 31 ARG QB 1 33 ALA H 1.800 . 6.300 5.843 5.692 5.977 . 0 0 "[ . 1 . 2]" 1
288 1 32 PHE HA 1 33 ALA H 1.800 . 4.300 2.267 2.260 2.274 . 0 0 "[ . 1 . 2]" 1
289 1 32 PHE HB3 1 33 ALA H 1.800 . 5.300 3.910 3.584 4.133 . 0 0 "[ . 1 . 2]" 1
290 1 32 PHE HB2 1 33 ALA H 1.800 . 5.300 2.832 2.771 2.898 . 0 0 "[ . 1 . 2]" 1
291 1 33 ALA H 1 33 ALA MB 1.800 . 4.300 2.355 2.243 2.416 . 0 0 "[ . 1 . 2]" 1
292 1 33 ALA H 1 34 VAL H 1.800 . 4.500 4.367 4.338 4.525 0.025 8 0 "[ . 1 . 2]" 1
293 1 33 ALA H 1 43 GLU HA 1.800 . 6.000 5.047 4.856 5.335 . 0 0 "[ . 1 . 2]" 1
294 1 33 ALA HA 1 34 VAL HB 1.800 . 6.300 4.581 4.223 5.704 . 0 0 "[ . 1 . 2]" 1
295 1 33 ALA HA 1 34 VAL QG 1.800 . 6.300 3.834 3.235 4.185 . 0 0 "[ . 1 . 2]" 1
296 1 33 ALA HA 1 43 GLU QB 1.800 . 5.000 3.790 3.058 4.428 . 0 0 "[ . 1 . 2]" 1
297 1 9 ILE HA 1 34 VAL H 1.800 . 6.000 5.464 5.270 5.776 . 0 0 "[ . 1 . 2]" 1
298 1 12 SER QB 1 34 VAL H 1.800 . 6.500 6.367 5.876 6.506 0.006 18 0 "[ . 1 . 2]" 1
299 1 33 ALA MB 1 34 VAL H 1.800 . 4.000 3.192 2.796 3.273 . 0 0 "[ . 1 . 2]" 1
300 1 34 VAL H 1 34 VAL HB 1.800 . 4.300 2.923 2.564 3.759 . 0 0 "[ . 1 . 2]" 1
301 1 34 VAL H 1 34 VAL MG1 1.800 . 6.000 2.261 2.031 3.216 . 0 0 "[ . 1 . 2]" 1
302 1 34 VAL H 1 34 VAL MG2 1.800 . 5.300 3.693 1.986 3.950 . 0 0 "[ . 1 . 2]" 1
303 1 34 VAL H 1 35 ALA H 1.800 . 4.800 4.473 4.376 4.504 . 0 0 "[ . 1 . 2]" 1
304 1 34 VAL H 1 41 MET HA 1.800 . 5.000 4.439 4.129 4.640 . 0 0 "[ . 1 . 2]" 1
305 1 34 VAL H 1 42 GLU HA 1.800 . 5.500 4.984 4.804 5.063 . 0 0 "[ . 1 . 2]" 1
306 1 34 VAL H 1 42 GLU H 1.800 . 4.000 2.877 2.561 3.037 . 0 0 "[ . 1 . 2]" 1
307 1 34 VAL H 1 43 GLU HA 1.800 . 4.500 3.923 3.687 4.156 . 0 0 "[ . 1 . 2]" 1
308 1 33 ALA MB 1 34 VAL HA 1.800 . 6.000 4.154 3.963 4.210 . 0 0 "[ . 1 . 2]" 1
309 1 8 GLY QA 1 35 ALA H 1.800 . 5.000 4.066 3.380 4.534 . 0 0 "[ . 1 . 2]" 1
310 1 9 ILE HA 1 35 ALA H 1.800 . 4.000 3.397 3.028 3.616 . 0 0 "[ . 1 . 2]" 1
311 1 10 GLU H 1 35 ALA H 1.800 . 5.500 4.703 4.416 5.189 . 0 0 "[ . 1 . 2]" 1
312 1 34 VAL QG 1 35 ALA H 1.800 . 4.800 2.417 2.032 3.436 . 0 0 "[ . 1 . 2]" 1
313 1 34 VAL HA 1 35 ALA H 1.800 . 3.000 2.198 2.159 2.208 . 0 0 "[ . 1 . 2]" 1
314 1 34 VAL HB 1 35 ALA H 1.800 . 6.000 4.062 3.052 4.272 . 0 0 "[ . 1 . 2]" 1
315 1 35 ALA H 1 35 ALA MB 1.800 . 3.500 2.313 2.221 2.415 . 0 0 "[ . 1 . 2]" 1
316 1 35 ALA H 1 36 TYR H 1.800 . 6.300 4.429 4.291 4.495 . 0 0 "[ . 1 . 2]" 1
317 1 35 ALA H 1 41 MET HA 1.800 . 5.500 4.977 4.910 5.056 . 0 0 "[ . 1 . 2]" 1
318 1 9 ILE HA 1 35 ALA HA 1.800 . 6.300 6.203 5.756 6.336 0.036 7 0 "[ . 1 . 2]" 1
319 1 34 VAL QG 1 35 ALA HA 1.800 . 6.300 3.585 3.389 4.154 . 0 0 "[ . 1 . 2]" 1
320 1 35 ALA HA 1 41 MET HA 1.800 . 3.500 2.693 2.581 2.835 . 0 0 "[ . 1 . 2]" 1
321 1 35 ALA HA 1 41 MET QB 1.800 . 4.500 4.180 3.839 4.505 0.005 8 0 "[ . 1 . 2]" 1
322 1 35 ALA HA 1 41 MET QG 1.800 . 5.000 2.668 2.170 3.543 . 0 0 "[ . 1 . 2]" 1
323 1 6 ILE HA 1 36 TYR H 1.800 . 5.500 4.817 4.434 5.285 . 0 0 "[ . 1 . 2]" 1
324 1 34 VAL QG 1 36 TYR H 1.800 . 6.000 4.046 3.543 4.731 . 0 0 "[ . 1 . 2]" 1
325 1 35 ALA HA 1 36 TYR H 1.800 . 3.300 2.163 2.141 2.183 . 0 0 "[ . 1 . 2]" 1
326 1 35 ALA MB 1 36 TYR H 1.800 . 4.000 3.112 2.946 3.357 . 0 0 "[ . 1 . 2]" 1
327 1 36 TYR H 1 37 SER HA 1.800 . 6.300 5.426 5.275 5.564 . 0 0 "[ . 1 . 2]" 1
328 1 36 TYR H 1 37 SER H 1.800 . 6.300 4.573 4.536 4.612 . 0 0 "[ . 1 . 2]" 1
329 1 36 TYR H 1 38 ASN H 1.800 . 5.000 4.740 4.562 4.911 . 0 0 "[ . 1 . 2]" 1
330 1 36 TYR H 1 40 THR H 1.800 . 4.500 2.768 2.498 3.472 . 0 0 "[ . 1 . 2]" 1
331 1 36 TYR H 1 41 MET HA 1.800 . 4.500 3.450 2.942 3.747 . 0 0 "[ . 1 . 2]" 1
332 1 4 LYS QG 1 36 TYR HA 1.800 . 6.000 4.656 4.107 5.832 . 0 0 "[ . 1 . 2]" 1
333 1 6 ILE HB 1 36 TYR HA 1.800 . 4.500 3.603 3.043 4.539 0.039 2 0 "[ . 1 . 2]" 1
334 1 34 VAL QG 1 36 TYR HA 1.800 . 6.000 3.990 3.682 5.132 . 0 0 "[ . 1 . 2]" 1
335 1 36 TYR HA 1 37 SER HA 1.800 . 6.300 4.312 4.306 4.328 . 0 0 "[ . 1 . 2]" 1
336 1 6 ILE HB 1 37 SER H 1.800 . 5.500 5.275 4.907 5.556 0.056 2 0 "[ . 1 . 2]" 1
337 1 6 ILE QG 1 37 SER H 1.800 . 6.300 5.932 4.007 6.284 . 0 0 "[ . 1 . 2]" 1
338 1 6 ILE MG 1 37 SER H 1.800 . 6.500 4.708 3.812 5.820 . 0 0 "[ . 1 . 2]" 1
339 1 7 LEU QD 1 37 SER H 1.800 . 5.000 4.337 3.098 5.005 0.005 9 0 "[ . 1 . 2]" 1
340 1 8 GLY H 1 37 SER H 1.800 . 6.300 5.672 5.083 6.237 . 0 0 "[ . 1 . 2]" 1
341 1 36 TYR HA 1 37 SER H 1.800 . 4.000 2.302 2.237 2.486 . 0 0 "[ . 1 . 2]" 1
342 1 36 TYR HB3 1 37 SER H 1.800 . 5.500 3.149 2.319 3.871 . 0 0 "[ . 1 . 2]" 1
343 1 36 TYR HB2 1 37 SER H 1.800 . 5.800 3.937 3.292 4.077 . 0 0 "[ . 1 . 2]" 1
344 1 37 SER H 1 38 ASN HA 1.800 . 6.300 5.175 4.983 5.264 . 0 0 "[ . 1 . 2]" 1
345 1 37 SER H 1 38 ASN H 1.800 . 5.800 2.582 2.353 2.664 . 0 0 "[ . 1 . 2]" 1
346 1 37 SER H 1 39 ASP H 1.800 . 5.000 4.455 4.332 4.499 . 0 0 "[ . 1 . 2]" 1
347 1 4 LYS QG 1 38 ASN H 1.800 . 6.000 4.658 3.344 5.939 . 0 0 "[ . 1 . 2]" 1
348 1 6 ILE HA 1 38 ASN H 1.800 . 6.000 5.452 5.052 5.655 . 0 0 "[ . 1 . 2]" 1
349 1 35 ALA MB 1 38 ASN H 1.800 . 6.500 6.141 6.062 6.402 . 0 0 "[ . 1 . 2]" 1
350 1 36 TYR QB 1 38 ASN H 1.800 . 4.500 2.537 2.137 2.930 . 0 0 "[ . 1 . 2]" 1
351 1 36 TYR HA 1 38 ASN H 1.800 . 5.000 3.858 3.796 4.005 . 0 0 "[ . 1 . 2]" 1
352 1 37 SER HA 1 38 ASN H 1.800 . 4.800 3.386 3.329 3.417 . 0 0 "[ . 1 . 2]" 1
353 1 38 ASN H 1 38 ASN HB2 1.800 . 4.000 2.523 2.259 2.672 . 0 0 "[ . 1 . 2]" 1
354 1 38 ASN H 1 39 ASP HA 1.800 . 6.000 4.807 4.776 4.833 . 0 0 "[ . 1 . 2]" 1
355 1 38 ASN H 1 39 ASP H 1.800 . 4.500 2.749 2.732 2.776 . 0 0 "[ . 1 . 2]" 1
356 1 38 ASN H 1 40 THR H 1.800 . 5.000 4.066 3.182 4.234 . 0 0 "[ . 1 . 2]" 1
357 1 36 TYR HA 1 39 ASP H 1.800 . 5.500 5.219 5.104 5.457 . 0 0 "[ . 1 . 2]" 1
358 1 36 TYR H 1 39 ASP H 1.800 . 5.000 4.764 4.577 5.016 0.016 2 0 "[ . 1 . 2]" 1
359 1 37 SER HA 1 39 ASP H 1.800 . 4.000 3.408 3.356 3.435 . 0 0 "[ . 1 . 2]" 1
360 1 38 ASN HA 1 39 ASP H 1.800 . 4.000 2.997 2.987 3.004 . 0 0 "[ . 1 . 2]" 1
361 1 39 ASP H 1 39 ASP HA 1.800 . 3.000 2.275 2.274 2.275 . 0 0 "[ . 1 . 2]" 1
362 1 39 ASP H 1 40 THR H 1.800 . 3.800 2.957 2.605 3.042 . 0 0 "[ . 1 . 2]" 1
363 1 39 ASP H 1 40 THR MG 1.800 . 6.300 5.459 4.540 5.692 . 0 0 "[ . 1 . 2]" 1
364 1 39 ASP HA 1 40 THR HA 1.800 . 5.300 4.354 4.323 4.509 . 0 0 "[ . 1 . 2]" 1
365 1 35 ALA MB 1 40 THR H 1.800 . 5.500 4.291 3.961 5.120 . 0 0 "[ . 1 . 2]" 1
366 1 36 TYR QB 1 40 THR H 1.800 . 4.500 2.670 2.530 2.922 . 0 0 "[ . 1 . 2]" 1
367 1 36 TYR HA 1 40 THR H 1.800 . 5.000 4.731 4.578 5.001 0.001 11 0 "[ . 1 . 2]" 1
368 1 38 ASN HA 1 40 THR H 1.800 . 5.500 5.398 4.484 5.538 0.038 18 0 "[ . 1 . 2]" 1
369 1 39 ASP QB 1 40 THR H 1.800 . 6.000 3.954 3.784 4.037 . 0 0 "[ . 1 . 2]" 1
370 1 39 ASP HA 1 40 THR H 1.800 . 4.000 2.507 2.439 2.967 . 0 0 "[ . 1 . 2]" 1
371 1 40 THR H 1 40 THR MG 1.800 . 4.500 3.862 3.337 3.983 . 0 0 "[ . 1 . 2]" 1
372 1 40 THR H 1 41 MET H 1.800 . 6.300 4.390 4.270 4.513 . 0 0 "[ . 1 . 2]" 1
373 1 40 THR H 1 41 MET HA 1.800 . 6.500 4.772 4.654 5.030 . 0 0 "[ . 1 . 2]" 1
374 1 40 THR H 1 41 MET QG 1.800 . 6.300 4.786 3.946 6.104 . 0 0 "[ . 1 . 2]" 1
375 1 40 THR H 1 41 MET QB 1.800 . 6.300 5.242 4.802 5.655 . 0 0 "[ . 1 . 2]" 1
376 1 36 TYR QB 1 40 THR HA 1.800 . 5.500 4.214 4.041 4.722 . 0 0 "[ . 1 . 2]" 1
377 1 40 THR HA 1 41 MET HA 1.800 . 6.300 4.460 4.398 4.487 . 0 0 "[ . 1 . 2]" 1
378 1 40 THR HA 1 41 MET QB 1.800 . 5.800 3.990 3.834 4.221 . 0 0 "[ . 1 . 2]" 1
379 1 40 THR HA 1 41 MET QG 1.800 . 6.300 4.643 3.698 5.701 . 0 0 "[ . 1 . 2]" 1
380 1 36 TYR QB 1 41 MET H 1.800 . 5.500 4.786 4.404 5.395 . 0 0 "[ . 1 . 2]" 1
381 1 40 THR HA 1 41 MET H 1.800 . 3.000 2.341 2.205 2.436 . 0 0 "[ . 1 . 2]" 1
382 1 40 THR MG 1 41 MET H 1.800 . 4.000 2.469 2.063 3.650 . 0 0 "[ . 1 . 2]" 1
383 1 40 THR HB 1 41 MET H 1.800 . 3.000 2.977 2.744 3.039 0.039 16 0 "[ . 1 . 2]" 1
384 1 41 MET H 1 41 MET QG 1.800 . 5.000 3.762 3.230 4.186 . 0 0 "[ . 1 . 2]" 1
385 1 41 MET H 1 41 MET QB 1.800 . 3.800 2.587 2.420 2.683 . 0 0 "[ . 1 . 2]" 1
386 1 41 MET H 1 42 GLU H 1.800 . 5.500 4.341 4.270 4.470 . 0 0 "[ . 1 . 2]" 1
387 1 34 VAL MG2 1 41 MET HA 1.800 . 6.000 5.015 3.715 5.545 . 0 0 "[ . 1 . 2]" 1
388 1 35 ALA MB 1 41 MET HA 1.800 . 5.000 4.084 3.912 4.296 . 0 0 "[ . 1 . 2]" 1
389 1 40 THR MG 1 41 MET HA 1.800 . 6.300 4.659 4.390 5.443 . 0 0 "[ . 1 . 2]" 1
390 1 41 MET QB 1 42 GLU H 1.800 . 6.500 3.166 2.831 3.632 . 0 0 "[ . 1 . 2]" 1
391 1 34 VAL H 1 41 MET QG 1.800 . 6.300 4.258 3.297 5.264 . 0 0 "[ . 1 . 2]" 1
392 1 35 ALA MB 1 41 MET QG 1.800 . 4.000 2.958 2.503 3.915 . 0 0 "[ . 1 . 2]" 1
393 1 40 THR MG 1 41 MET QG 1.800 . 6.300 5.288 4.535 5.651 . 0 0 "[ . 1 . 2]" 1
394 1 34 VAL HB 1 42 GLU H 1.800 . 5.000 4.896 4.714 5.005 0.005 9 0 "[ . 1 . 2]" 1
395 1 34 VAL MG1 1 42 GLU H 1.800 . 5.500 2.682 2.064 4.965 . 0 0 "[ . 1 . 2]" 1
396 1 34 VAL MG2 1 42 GLU H 1.800 . 6.000 4.582 2.304 5.182 . 0 0 "[ . 1 . 2]" 1
397 1 35 ALA HA 1 42 GLU H 1.800 . 4.500 4.145 4.067 4.249 . 0 0 "[ . 1 . 2]" 1
398 1 35 ALA H 1 42 GLU H 1.800 . 5.500 5.327 5.284 5.365 . 0 0 "[ . 1 . 2]" 1
399 1 41 MET HA 1 42 GLU H 1.800 . 3.000 2.204 2.169 2.276 . 0 0 "[ . 1 . 2]" 1
400 1 42 GLU H 1 43 GLU H 1.800 . 5.300 4.326 4.286 4.335 . 0 0 "[ . 1 . 2]" 1
401 1 34 VAL H 1 42 GLU QB 1.800 . 5.000 3.840 3.575 4.111 . 0 0 "[ . 1 . 2]" 1
402 1 34 VAL MG1 1 42 GLU QB 1.800 . 5.500 2.588 2.018 4.725 . 0 0 "[ . 1 . 2]" 1
403 1 34 VAL MG2 1 42 GLU QB 1.800 . 6.000 4.425 2.063 5.307 . 0 0 "[ . 1 . 2]" 1
404 1 42 GLU QB 1 43 GLU HA 1.800 . 5.300 4.159 4.124 4.233 . 0 0 "[ . 1 . 2]" 1
405 1 42 GLU QB 1 43 GLU H 1.800 . 3.500 3.242 3.043 3.498 . 0 0 "[ . 1 . 2]" 1
406 1 42 GLU HA 1 43 GLU H 1.800 . 3.000 2.173 2.169 2.176 . 0 0 "[ . 1 . 2]" 1
407 1 43 GLU H 1 43 GLU QB 1.800 . 3.000 2.744 2.368 2.996 . 0 0 "[ . 1 . 2]" 1
408 1 33 ALA MB 1 43 GLU HA 1.800 . 5.500 3.831 3.480 4.116 . 0 0 "[ . 1 . 2]" 1
409 1 31 ARG HA 1 44 HIS H 1.800 . 5.000 4.176 4.037 4.313 . 0 0 "[ . 1 . 2]" 1
410 1 33 ALA H 1 44 HIS H 1.800 . 6.000 5.632 5.477 5.793 . 0 0 "[ . 1 . 2]" 1
411 1 33 ALA MB 1 44 HIS H 1.800 . 6.000 5.151 4.803 5.320 . 0 0 "[ . 1 . 2]" 1
412 1 43 GLU HA 1 44 HIS H 1.800 . 3.800 2.189 2.162 2.233 . 0 0 "[ . 1 . 2]" 1
413 1 43 GLU QG 1 44 HIS H 1.800 . 4.800 4.003 3.394 4.391 . 0 0 "[ . 1 . 2]" 1
414 1 43 GLU QB 1 44 HIS H 1.800 . 4.800 3.010 2.839 3.166 . 0 0 "[ . 1 . 2]" 1
415 1 44 HIS H 1 45 SER H 1.800 . 6.300 4.272 4.265 4.318 . 0 0 "[ . 1 . 2]" 1
416 1 44 HIS H 1 45 SER QB 1.800 . 6.500 5.324 4.830 5.707 . 0 0 "[ . 1 . 2]" 1
417 1 44 HIS H 1 48 ASP HB2 1.800 . 6.500 5.457 4.422 6.499 . 0 0 "[ . 1 . 2]" 1
418 1 44 HIS H 1 48 ASP HB3 1.800 . 6.500 6.246 5.198 6.525 0.025 16 0 "[ . 1 . 2]" 1
419 1 43 GLU HA 1 44 HIS HA 1.800 . 6.300 4.440 4.423 4.461 . 0 0 "[ . 1 . 2]" 1
420 1 44 HIS HA 1 45 SER HA 1.800 . 5.500 4.388 4.370 4.400 . 0 0 "[ . 1 . 2]" 1
421 1 44 HIS HA 1 45 SER QB 1.800 . 6.300 4.451 4.017 4.733 . 0 0 "[ . 1 . 2]" 1
422 1 44 HIS HA 1 48 ASP QB 1.800 . 6.500 5.455 4.417 6.405 . 0 0 "[ . 1 . 2]" 1
423 1 45 SER H 1 47 THR MG 1.800 . 6.000 3.192 2.288 4.529 . 0 0 "[ . 1 . 2]" 1
424 1 31 ARG HA 1 45 SER H 1.800 . 6.000 4.469 4.341 4.675 . 0 0 "[ . 1 . 2]" 1
425 1 31 ARG HD2 1 45 SER H 1.800 . 6.300 5.068 4.535 5.501 . 0 0 "[ . 1 . 2]" 1
426 1 31 ARG HD3 1 45 SER H 1.800 . 6.300 5.940 5.558 6.301 0.001 4 0 "[ . 1 . 2]" 1
427 1 44 HIS HB3 1 45 SER H 1.800 . 4.500 3.199 2.988 3.317 . 0 0 "[ . 1 . 2]" 1
428 1 44 HIS HB2 1 45 SER H 1.800 . 5.000 4.280 3.853 4.333 . 0 0 "[ . 1 . 2]" 1
429 1 44 HIS HA 1 45 SER H 1.800 . 3.000 2.212 2.207 2.218 . 0 0 "[ . 1 . 2]" 1
430 1 45 SER H 1 46 PHE H 1.800 . 6.300 4.351 4.306 4.416 . 0 0 "[ . 1 . 2]" 1
431 1 45 SER H 1 48 ASP H 1.800 . 5.500 5.130 3.979 5.541 0.041 10 0 "[ . 1 . 2]" 1
432 1 31 ARG QB 1 45 SER HA 1.800 . 5.000 2.496 2.380 2.616 . 0 0 "[ . 1 . 2]" 1
433 1 31 ARG QG 1 45 SER HA 1.800 . 5.500 4.455 4.353 4.558 . 0 0 "[ . 1 . 2]" 1
434 1 44 HIS QB 1 45 SER HA 1.800 . 6.500 4.175 4.110 4.278 . 0 0 "[ . 1 . 2]" 1
435 1 31 ARG QG 1 45 SER QB 1.800 . 6.000 4.030 3.789 4.248 . 0 0 "[ . 1 . 2]" 1
436 1 31 ARG HD2 1 45 SER QB 1.800 . 5.500 3.523 2.598 4.046 . 0 0 "[ . 1 . 2]" 1
437 1 31 ARG HD3 1 45 SER QB 1.800 . 5.500 3.467 3.151 3.686 . 0 0 "[ . 1 . 2]" 1
438 1 31 ARG HA 1 46 PHE H 1.800 . 5.000 3.368 3.205 3.712 . 0 0 "[ . 1 . 2]" 1
439 1 45 SER HA 1 46 PHE H 1.800 . 4.000 2.141 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
440 1 46 PHE H 1 47 THR H 1.800 . 5.000 3.171 2.809 3.798 . 0 0 "[ . 1 . 2]" 1
441 1 46 PHE H 1 47 THR MG 1.800 . 5.800 4.491 3.644 5.881 0.081 15 0 "[ . 1 . 2]" 1
442 1 31 ARG QB 1 46 PHE HA 1.800 . 6.500 6.307 6.187 6.459 . 0 0 "[ . 1 . 2]" 1
443 1 31 ARG QB 1 46 PHE HB2 1.800 . 6.500 6.134 5.980 6.440 . 0 0 "[ . 1 . 2]" 1
444 1 31 ARG QB 1 46 PHE HB3 1.800 . 6.500 6.475 6.138 6.527 0.027 20 0 "[ . 1 . 2]" 1
445 1 31 ARG QB 1 47 THR H 1.800 . 6.500 6.042 5.326 6.442 . 0 0 "[ . 1 . 2]" 1
446 1 45 SER HA 1 47 THR H 1.800 . 5.500 4.311 3.667 4.653 . 0 0 "[ . 1 . 2]" 1
447 1 45 SER QB 1 47 THR H 1.800 . 6.000 5.274 4.668 5.732 . 0 0 "[ . 1 . 2]" 1
448 1 45 SER H 1 47 THR H 1.800 . 5.000 4.705 4.065 5.047 0.047 12 0 "[ . 1 . 2]" 1
449 1 46 PHE HB2 1 47 THR H 1.800 . 6.000 4.565 3.408 4.661 . 0 0 "[ . 1 . 2]" 1
450 1 46 PHE HB3 1 47 THR H 1.800 . 6.000 4.215 1.941 4.463 . 0 0 "[ . 1 . 2]" 1
451 1 47 THR H 1 47 THR MG 1.800 . 3.800 2.833 2.152 3.832 0.032 9 0 "[ . 1 . 2]" 1
452 1 47 THR H 1 47 THR HB 1.800 . 4.000 3.440 2.999 3.642 . 0 0 "[ . 1 . 2]" 1
453 1 47 THR H 1 48 ASP H 1.800 . 4.000 2.129 1.843 2.903 . 0 0 "[ . 1 . 2]" 1
454 1 47 THR H 1 48 ASP HB2 1.800 . 6.000 4.300 3.289 5.262 . 0 0 "[ . 1 . 2]" 1
455 1 47 THR H 1 48 ASP HB3 1.800 . 6.000 4.434 3.717 5.881 . 0 0 "[ . 1 . 2]" 1
456 1 47 THR H 1 48 ASP HA 1.800 . 6.300 4.663 4.369 5.444 . 0 0 "[ . 1 . 2]" 1
457 1 45 SER HA 1 48 ASP H 1.800 . 6.000 5.234 4.277 5.634 . 0 0 "[ . 1 . 2]" 1
458 1 46 PHE H 1 48 ASP H 1.800 . 5.000 4.621 3.772 5.016 0.016 15 0 "[ . 1 . 2]" 1
459 1 47 THR MG 1 48 ASP H 1.800 . 4.000 2.663 1.906 4.002 0.002 18 0 "[ . 1 . 2]" 1
460 1 48 ASP H 1 48 ASP HB2 1.800 . 3.800 2.397 2.070 3.531 . 0 0 "[ . 1 . 2]" 1
461 1 48 ASP H 1 48 ASP HB3 1.800 . 3.800 2.838 2.246 3.297 . 0 0 "[ . 1 . 2]" 1
462 1 48 ASP H 1 49 GLU H 1.800 . 5.500 4.284 2.101 4.644 . 0 0 "[ . 1 . 2]" 1
463 1 48 ASP HA 1 49 GLU HA 1.800 . 6.500 4.475 4.324 5.205 . 0 0 "[ . 1 . 2]" 1
464 1 48 ASP HA 1 49 GLU H 1.800 . 3.000 2.380 2.142 3.354 0.354 12 0 "[ . 1 . 2]" 1
465 1 48 ASP HB2 1 49 GLU H 1.800 . 4.800 4.104 3.104 4.510 . 0 0 "[ . 1 . 2]" 1
466 1 48 ASP HB3 1 49 GLU H 1.800 . 4.500 3.708 3.139 4.250 . 0 0 "[ . 1 . 2]" 1
467 1 49 GLU H 1 49 GLU HB2 1.800 . 3.300 2.429 2.207 3.298 . 0 0 "[ . 1 . 2]" 1
468 1 49 GLU H 1 50 GLY H 1.800 . 5.300 2.826 2.663 4.468 . 0 0 "[ . 1 . 2]" 1
469 1 49 GLU HA 1 50 GLY H 1.800 . 3.000 2.987 2.731 3.063 0.063 19 0 "[ . 1 . 2]" 1
470 1 49 GLU HB2 1 50 GLY H 1.800 . 4.300 4.037 2.774 4.321 0.021 7 0 "[ . 1 . 2]" 1
471 1 49 GLU HB3 1 50 GLY H 1.800 . 4.300 4.145 2.008 4.351 0.051 10 0 "[ . 1 . 2]" 1
472 1 50 GLY H 1 51 VAL H 1.800 . 4.000 2.362 2.124 3.441 . 0 0 "[ . 1 . 2]" 1
473 1 48 ASP HB2 1 51 VAL H 1.800 . 6.300 5.396 4.400 6.313 0.013 17 0 "[ . 1 . 2]" 1
474 1 48 ASP HB3 1 51 VAL H 1.800 . 6.300 4.014 3.124 5.162 . 0 0 "[ . 1 . 2]" 1
475 1 48 ASP H 1 51 VAL H 1.800 . 6.300 5.733 4.675 6.319 0.019 6 0 "[ . 1 . 2]" 1
476 1 49 GLU HA 1 51 VAL H 1.800 . 5.800 3.803 3.506 4.347 . 0 0 "[ . 1 . 2]" 1
477 1 50 GLY HA2 1 51 VAL H 1.800 . 4.800 3.491 3.431 3.566 . 0 0 "[ . 1 . 2]" 1
478 1 50 GLY HA3 1 51 VAL H 1.800 . 4.800 2.940 2.655 3.079 . 0 0 "[ . 1 . 2]" 1
479 1 51 VAL H 1 51 VAL HB 1.800 . 3.800 3.420 2.507 3.760 . 0 0 "[ . 1 . 2]" 1
480 1 51 VAL H 1 52 GLU H 1.800 . 6.300 4.486 4.377 4.561 . 0 0 "[ . 1 . 2]" 1
481 1 51 VAL H 1 52 GLU HA 1.800 . 6.500 5.075 4.963 5.332 . 0 0 "[ . 1 . 2]" 1
482 1 51 VAL HA 1 52 GLU H 1.800 . 3.500 2.195 2.144 2.229 . 0 0 "[ . 1 . 2]" 1
483 1 52 GLU H 1 52 GLU QG 1.800 . 5.800 3.140 2.898 3.336 . 0 0 "[ . 1 . 2]" 1
484 1 52 GLU H 1 53 ILE H 1.800 . 6.300 4.377 4.243 4.522 . 0 0 "[ . 1 . 2]" 1
485 1 52 GLU H 1 53 ILE MG 1.800 . 6.300 6.248 5.958 6.415 0.115 12 0 "[ . 1 . 2]" 1
486 1 52 GLU H 1 53 ILE MD 1.800 . 4.300 3.686 3.318 4.204 . 0 0 "[ . 1 . 2]" 1
487 1 52 GLU H 1 69 HIS HA 1.800 . 5.500 5.065 4.811 5.323 . 0 0 "[ . 1 . 2]" 1
488 1 52 GLU H 1 69 HIS QB 1.800 . 5.000 4.117 3.643 4.433 . 0 0 "[ . 1 . 2]" 1
489 1 52 GLU H 1 69 HIS H 1.800 . 4.500 2.940 2.510 3.353 . 0 0 "[ . 1 . 2]" 1
490 1 52 GLU H 1 70 TYR HA 1.800 . 4.500 4.281 3.890 4.517 0.017 6 0 "[ . 1 . 2]" 1
491 1 52 GLU H 1 70 TYR QB 1.800 . 6.000 3.829 3.303 4.617 . 0 0 "[ . 1 . 2]" 1
492 1 52 GLU HA 1 53 ILE MD 1.800 . 5.800 3.448 3.066 3.903 . 0 0 "[ . 1 . 2]" 1
493 1 52 GLU HA 1 53 ILE HA 1.800 . 6.300 4.385 4.378 4.391 . 0 0 "[ . 1 . 2]" 1
494 1 52 GLU HA 1 69 HIS QB 1.800 . 6.500 5.989 5.618 6.215 . 0 0 "[ . 1 . 2]" 1
495 1 52 GLU QB 1 53 ILE MD 1.800 . 6.300 4.338 4.154 4.620 . 0 0 "[ . 1 . 2]" 1
496 1 52 GLU HB2 1 69 HIS QB 1.800 . 6.300 3.838 3.329 4.200 . 0 0 "[ . 1 . 2]" 1
497 1 52 GLU HB3 1 69 HIS QB 1.800 . 6.300 5.031 4.349 5.440 . 0 0 "[ . 1 . 2]" 1
498 1 49 GLU QB 1 52 GLU QG 1.800 . 5.500 5.355 4.621 5.538 0.038 10 0 "[ . 1 . 2]" 1
499 1 49 GLU HA 1 52 GLU QG 1.800 . 5.000 5.007 4.802 5.051 0.051 19 0 "[ . 1 . 2]" 1
500 1 50 GLY QA 1 52 GLU QG 1.800 . 6.500 4.863 4.395 5.279 . 0 0 "[ . 1 . 2]" 1
501 1 52 GLU HA 1 53 ILE H 1.800 . 3.000 2.165 2.140 2.226 . 0 0 "[ . 1 . 2]" 1
502 1 52 GLU QB 1 53 ILE H 1.800 . 3.500 3.145 2.856 3.309 . 0 0 "[ . 1 . 2]" 1
503 1 53 ILE H 1 53 ILE MD 1.800 . 4.500 2.855 2.422 3.407 . 0 0 "[ . 1 . 2]" 1
504 1 53 ILE H 1 68 LEU QB 1.800 . 5.500 4.874 4.337 5.430 . 0 0 "[ . 1 . 2]" 1
505 1 53 ILE H 1 69 HIS QB 1.800 . 6.500 6.437 6.165 6.526 0.026 9 0 "[ . 1 . 2]" 1
506 1 52 GLU QB 1 53 ILE HA 1.800 . 5.800 4.273 4.192 4.364 . 0 0 "[ . 1 . 2]" 1
507 1 53 ILE HA 1 67 THR HA 1.800 . 5.500 5.139 4.815 5.407 . 0 0 "[ . 1 . 2]" 1
508 1 53 ILE HA 1 68 LEU QB 1.800 . 5.000 3.507 3.294 3.857 . 0 0 "[ . 1 . 2]" 1
509 1 53 ILE HA 1 69 HIS H 1.800 . 5.000 3.876 3.682 3.982 . 0 0 "[ . 1 . 2]" 1
510 1 51 VAL HB 1 53 ILE MD 1.800 . 6.300 3.280 2.428 4.614 . 0 0 "[ . 1 . 2]" 1
511 1 53 ILE MD 1 66 LEU QB 1.800 . 5.000 4.141 3.515 4.617 . 0 0 "[ . 1 . 2]" 1
512 1 53 ILE MD 1 67 THR HA 1.800 . 5.500 5.217 4.554 5.607 0.107 15 0 "[ . 1 . 2]" 1
513 1 52 GLU HA 1 54 SER H 1.800 . 6.300 6.135 5.958 6.214 . 0 0 "[ . 1 . 2]" 1
514 1 53 ILE HA 1 54 SER H 1.800 . 3.500 2.190 2.151 2.204 . 0 0 "[ . 1 . 2]" 1
515 1 53 ILE HB 1 54 SER H 1.800 . 6.300 3.985 3.747 4.269 . 0 0 "[ . 1 . 2]" 1
516 1 53 ILE MD 1 54 SER H 1.800 . 4.800 4.171 3.678 4.626 . 0 0 "[ . 1 . 2]" 1
517 1 53 ILE H 1 54 SER H 1.800 . 6.300 4.488 4.401 4.542 . 0 0 "[ . 1 . 2]" 1
518 1 54 SER H 1 55 GLY H 1.800 . 6.300 4.380 4.297 4.474 . 0 0 "[ . 1 . 2]" 1
519 1 54 SER H 1 66 LEU HG 1.800 . 6.000 5.665 5.333 5.913 . 0 0 "[ . 1 . 2]" 1
520 1 54 SER H 1 67 THR H 1.800 . 4.000 2.588 2.349 2.860 . 0 0 "[ . 1 . 2]" 1
521 1 54 SER H 1 67 THR HA 1.800 . 5.000 4.695 4.497 4.926 . 0 0 "[ . 1 . 2]" 1
522 1 54 SER H 1 67 THR HB 1.800 . 5.000 3.916 3.595 4.426 . 0 0 "[ . 1 . 2]" 1
523 1 54 SER H 1 68 LEU QB 1.800 . 6.000 4.968 4.678 5.285 . 0 0 "[ . 1 . 2]" 1
524 1 54 SER H 1 69 HIS H 1.800 . 5.500 5.225 5.009 5.447 . 0 0 "[ . 1 . 2]" 1
525 1 54 SER HA 1 55 GLY QA 1.800 . 6.300 3.977 3.941 4.031 . 0 0 "[ . 1 . 2]" 1
526 1 54 SER QB 1 55 GLY H 1.800 . 4.500 3.179 2.761 3.468 . 0 0 "[ . 1 . 2]" 1
527 1 54 SER HA 1 55 GLY H 1.800 . 4.300 2.243 2.185 2.351 . 0 0 "[ . 1 . 2]" 1
528 1 55 GLY H 1 56 TYR H 1.800 . 4.500 2.542 2.407 2.719 . 0 0 "[ . 1 . 2]" 1
529 1 55 GLY H 1 56 TYR QB 1.800 . 6.300 4.427 4.246 4.563 . 0 0 "[ . 1 . 2]" 1
530 1 55 GLY H 1 66 LEU HG 1.800 . 6.000 5.900 5.225 6.068 0.068 13 0 "[ . 1 . 2]" 1
531 1 55 GLY H 1 66 LEU HA 1.800 . 5.500 5.188 5.019 5.340 . 0 0 "[ . 1 . 2]" 1
532 1 55 GLY HA2 1 66 LEU HG 1.800 . 6.000 5.971 5.594 6.118 0.118 12 0 "[ . 1 . 2]" 1
533 1 55 GLY HA3 1 66 LEU HG 1.800 . 5.500 4.756 4.276 5.158 . 0 0 "[ . 1 . 2]" 1
534 1 54 SER QB 1 56 TYR H 1.800 . 6.000 4.739 4.543 5.119 . 0 0 "[ . 1 . 2]" 1
535 1 54 SER HA 1 56 TYR H 1.800 . 5.300 3.356 3.178 3.827 . 0 0 "[ . 1 . 2]" 1
536 1 55 GLY HA2 1 56 TYR H 1.800 . 5.000 3.437 3.315 3.550 . 0 0 "[ . 1 . 2]" 1
537 1 55 GLY HA3 1 56 TYR H 1.800 . 5.000 3.056 2.776 3.235 . 0 0 "[ . 1 . 2]" 1
538 1 56 TYR H 1 56 TYR QB 1.800 . 3.500 2.174 2.115 2.306 . 0 0 "[ . 1 . 2]" 1
539 1 56 TYR H 1 57 ASP H 1.800 . 5.300 4.551 4.499 4.583 . 0 0 "[ . 1 . 2]" 1
540 1 56 TYR H 1 66 LEU HG 1.800 . 4.000 3.557 2.900 3.832 . 0 0 "[ . 1 . 2]" 1
541 1 56 TYR H 1 66 LEU H 1.800 . 6.300 6.311 5.861 6.381 0.081 13 0 "[ . 1 . 2]" 1
542 1 56 TYR HA 1 66 LEU HG 1.800 . 5.000 3.181 2.588 3.831 . 0 0 "[ . 1 . 2]" 1
543 1 56 TYR QB 1 66 LEU HG 1.800 . 5.000 1.916 1.859 1.978 . 0 0 "[ . 1 . 2]" 1
544 1 56 TYR HA 1 57 ASP H 1.800 . 3.500 2.186 2.144 2.213 . 0 0 "[ . 1 . 2]" 1
545 1 57 ASP H 1 58 ALA HA 1.800 . 6.300 5.021 4.758 5.348 . 0 0 "[ . 1 . 2]" 1
546 1 57 ASP H 1 58 ALA MB 1.800 . 6.300 5.444 5.203 5.742 . 0 0 "[ . 1 . 2]" 1
547 1 57 ASP H 1 58 ALA H 1.800 . 6.300 4.263 3.944 4.474 . 0 0 "[ . 1 . 2]" 1
548 1 57 ASP H 1 60 LYS H 1.800 . 6.300 4.921 4.522 5.511 . 0 0 "[ . 1 . 2]" 1
549 1 57 ASP H 1 60 LYS HB2 1.800 . 6.300 6.109 4.619 6.362 0.062 16 0 "[ . 1 . 2]" 1
550 1 57 ASP H 1 60 LYS HB3 1.800 . 6.300 5.962 4.457 6.337 0.037 16 0 "[ . 1 . 2]" 1
551 1 57 ASP H 1 65 THR H 1.800 . 6.000 5.941 5.119 6.085 0.085 4 0 "[ . 1 . 2]" 1
552 1 25 LEU QD 1 58 ALA H 1.800 . 6.000 4.690 3.618 5.797 . 0 0 "[ . 1 . 2]" 1
553 1 57 ASP HA 1 58 ALA H 1.800 . 3.000 2.163 2.139 2.227 . 0 0 "[ . 1 . 2]" 1
554 1 57 ASP HB2 1 58 ALA H 1.800 . 5.500 4.494 3.978 4.635 . 0 0 "[ . 1 . 2]" 1
555 1 57 ASP HB3 1 58 ALA H 1.800 . 4.500 3.777 3.205 4.179 . 0 0 "[ . 1 . 2]" 1
556 1 58 ALA H 1 58 ALA MB 1.800 . 3.800 2.134 2.024 2.277 . 0 0 "[ . 1 . 2]" 1
557 1 58 ALA H 1 59 GLN H 1.800 . 4.300 2.925 2.340 4.494 0.194 17 0 "[ . 1 . 2]" 1
558 1 58 ALA H 1 59 GLN QB 1.800 . 6.000 4.443 4.040 5.165 . 0 0 "[ . 1 . 2]" 1
559 1 58 ALA H 1 60 LYS H 1.800 . 6.000 4.430 4.086 5.074 . 0 0 "[ . 1 . 2]" 1
560 1 24 SER QB 1 58 ALA HA 1.800 . 6.000 5.281 3.821 6.009 0.009 19 0 "[ . 1 . 2]" 1
561 1 25 LEU HA 1 58 ALA HA 1.800 . 6.300 6.212 5.506 6.346 0.046 15 0 "[ . 1 . 2]" 1
562 1 25 LEU HG 1 58 ALA HA 1.800 . 5.000 4.813 4.228 5.080 0.080 4 0 "[ . 1 . 2]" 1
563 1 25 LEU QD 1 58 ALA HA 1.800 . 5.000 3.230 1.895 4.385 . 0 0 "[ . 1 . 2]" 1
564 1 25 LEU QD 1 59 GLN H 1.800 . 6.500 5.484 3.226 6.505 0.005 10 0 "[ . 1 . 2]" 1
565 1 57 ASP QB 1 59 GLN H 1.800 . 6.300 3.219 2.604 5.039 . 0 0 "[ . 1 . 2]" 1
566 1 58 ALA HA 1 59 GLN H 1.800 . 5.500 3.237 2.144 3.558 . 0 0 "[ . 1 . 2]" 1
567 1 58 ALA MB 1 59 GLN H 1.800 . 4.500 3.048 2.112 3.720 . 0 0 "[ . 1 . 2]" 1
568 1 59 GLN H 1 59 GLN HB3 1.800 . 4.300 3.378 2.699 3.976 . 0 0 "[ . 1 . 2]" 1
569 1 59 GLN H 1 59 GLN HB2 1.800 . 4.300 2.445 2.075 3.183 . 0 0 "[ . 1 . 2]" 1
570 1 59 GLN H 1 60 LYS H 1.800 . 3.800 2.518 1.895 3.427 . 0 0 "[ . 1 . 2]" 1
571 1 58 ALA MB 1 59 GLN HA 1.800 . 6.300 4.000 3.771 4.593 . 0 0 "[ . 1 . 2]" 1
572 1 57 ASP HB2 1 60 LYS H 1.800 . 4.500 3.827 3.283 4.318 . 0 0 "[ . 1 . 2]" 1
573 1 57 ASP HB3 1 60 LYS H 1.800 . 5.000 2.769 2.054 4.262 . 0 0 "[ . 1 . 2]" 1
574 1 58 ALA HA 1 60 LYS H 1.800 . 5.500 4.109 3.467 5.334 . 0 0 "[ . 1 . 2]" 1
575 1 59 GLN HA 1 60 LYS H 1.800 . 5.300 3.286 2.603 3.570 . 0 0 "[ . 1 . 2]" 1
576 1 60 LYS H 1 60 LYS HB2 1.800 . 4.300 2.886 2.305 3.403 . 0 0 "[ . 1 . 2]" 1
577 1 60 LYS H 1 60 LYS HB3 1.800 . 4.300 3.620 3.214 3.860 . 0 0 "[ . 1 . 2]" 1
578 1 60 LYS HA 1 61 THR MG 1.800 . 6.300 4.217 3.461 4.955 . 0 0 "[ . 1 . 2]" 1
579 1 57 ASP QB 1 61 THR H 1.800 . 6.000 4.991 4.023 5.877 . 0 0 "[ . 1 . 2]" 1
580 1 60 LYS HA 1 61 THR H 1.800 . 3.000 2.266 2.140 3.040 0.040 17 0 "[ . 1 . 2]" 1
581 1 60 LYS QB 1 61 THR H 1.800 . 4.500 3.367 2.103 4.029 . 0 0 "[ . 1 . 2]" 1
582 1 60 LYS HG2 1 61 THR H 1.800 . 4.300 3.931 3.229 4.532 0.232 17 0 "[ . 1 . 2]" 1
583 1 60 LYS HG3 1 61 THR H 1.800 . 4.300 4.024 3.654 4.311 0.011 20 0 "[ . 1 . 2]" 1
584 1 60 LYS QE 1 61 THR H 1.800 . 6.300 5.594 4.730 5.977 . 0 0 "[ . 1 . 2]" 1
585 1 60 LYS H 1 61 THR H 1.800 . 5.300 3.895 2.018 4.522 . 0 0 "[ . 1 . 2]" 1
586 1 61 THR H 1 61 THR MG 1.800 . 3.500 3.083 2.292 3.502 0.002 15 0 "[ . 1 . 2]" 1
587 1 61 THR H 1 62 GLY QA 1.800 . 6.300 4.389 3.817 4.814 . 0 0 "[ . 1 . 2]" 1
588 1 61 THR H 1 62 GLY H 1.800 . 6.000 3.572 2.692 4.538 . 0 0 "[ . 1 . 2]" 1
589 1 61 THR H 1 81 VAL MG2 1.800 . 5.500 4.974 3.970 5.523 0.023 7 0 "[ . 1 . 2]" 1
590 1 61 THR H 1 81 VAL HB 1.800 . 5.500 4.658 4.156 5.407 . 0 0 "[ . 1 . 2]" 1
591 1 60 LYS QB 1 61 THR HA 1.800 . 6.500 4.222 3.855 4.566 . 0 0 "[ . 1 . 2]" 1
592 1 61 THR HB 1 79 VAL HA 1.800 . 6.300 5.837 4.983 6.378 0.078 2 0 "[ . 1 . 2]" 1
593 1 61 THR HB 1 79 VAL QG 1.800 . 6.300 2.690 1.901 3.207 . 0 0 "[ . 1 . 2]" 1
594 1 61 THR HB 1 81 VAL HB 1.800 . 6.300 3.065 2.010 4.001 . 0 0 "[ . 1 . 2]" 1
595 1 61 THR HB 1 81 VAL QG 1.800 . 6.300 3.083 2.041 3.805 . 0 0 "[ . 1 . 2]" 1
596 1 61 THR HB 1 81 VAL H 1.800 . 4.000 3.255 2.804 3.942 . 0 0 "[ . 1 . 2]" 1
597 1 61 THR HB 1 62 GLY H 1.800 . 4.000 2.221 1.929 2.731 . 0 0 "[ . 1 . 2]" 1
598 1 61 THR HA 1 62 GLY H 1.800 . 4.000 3.126 2.468 3.555 . 0 0 "[ . 1 . 2]" 1
599 1 61 THR MG 1 62 GLY H 1.800 . 4.300 3.539 2.916 3.723 . 0 0 "[ . 1 . 2]" 1
600 1 62 GLY H 1 63 ARG QB 1.800 . 6.000 5.115 4.878 5.365 . 0 0 "[ . 1 . 2]" 1
601 1 62 GLY H 1 64 GLN HB2 1.800 . 6.000 4.956 3.947 5.641 . 0 0 "[ . 1 . 2]" 1
602 1 62 GLY H 1 80 LEU HA 1.800 . 4.000 3.518 2.289 4.060 0.060 13 0 "[ . 1 . 2]" 1
603 1 62 GLY H 1 80 LEU QB 1.800 . 6.000 5.417 4.259 5.936 . 0 0 "[ . 1 . 2]" 1
604 1 62 GLY H 1 80 LEU QD 1.800 . 6.000 4.441 3.414 5.146 . 0 0 "[ . 1 . 2]" 1
605 1 62 GLY H 1 81 VAL MG2 1.800 . 5.000 4.982 4.672 5.060 0.060 3 0 "[ . 1 . 2]" 1
606 1 62 GLY H 1 81 VAL H 1.800 . 4.000 3.078 2.544 3.467 . 0 0 "[ . 1 . 2]" 1
607 1 62 GLY H 1 81 VAL HB 1.800 . 4.000 3.832 3.208 4.062 0.062 20 0 "[ . 1 . 2]" 1
608 1 61 THR HB 1 63 ARG H 1.800 . 5.000 3.746 2.902 4.904 . 0 0 "[ . 1 . 2]" 1
609 1 62 GLY H 1 63 ARG H 1.800 . 5.500 2.979 2.574 3.319 . 0 0 "[ . 1 . 2]" 1
610 1 62 GLY QA 1 63 ARG H 1.800 . 3.300 2.537 2.207 2.843 . 0 0 "[ . 1 . 2]" 1
611 1 63 ARG H 1 63 ARG QB 1.800 . 3.000 2.962 2.893 3.009 0.009 2 0 "[ . 1 . 2]" 1
612 1 63 ARG H 1 63 ARG QG 1.800 . 4.800 4.089 3.948 4.354 . 0 0 "[ . 1 . 2]" 1
613 1 63 ARG H 1 64 GLN H 1.800 . 6.000 2.831 2.580 3.112 . 0 0 "[ . 1 . 2]" 1
614 1 56 TYR HA 1 64 GLN H 1.800 . 6.000 5.994 5.811 6.067 0.067 9 0 "[ . 1 . 2]" 1
615 1 63 ARG QB 1 64 GLN H 1.800 . 4.500 3.979 3.846 4.020 . 0 0 "[ . 1 . 2]" 1
616 1 63 ARG QD 1 64 GLN H 1.800 . 6.300 4.847 4.058 5.692 . 0 0 "[ . 1 . 2]" 1
617 1 63 ARG HA 1 64 GLN H 1.800 . 3.800 2.538 2.361 2.843 . 0 0 "[ . 1 . 2]" 1
618 1 64 GLN H 1 64 GLN HB3 1.800 . 4.000 3.542 2.852 3.788 . 0 0 "[ . 1 . 2]" 1
619 1 64 GLN H 1 64 GLN HB2 1.800 . 4.300 2.506 2.234 2.845 . 0 0 "[ . 1 . 2]" 1
620 1 64 GLN H 1 78 ASP HA 1.800 . 5.500 4.725 4.341 5.051 . 0 0 "[ . 1 . 2]" 1
621 1 64 GLN H 1 79 VAL H 1.800 . 4.000 2.909 2.546 3.285 . 0 0 "[ . 1 . 2]" 1
622 1 64 GLN H 1 79 VAL HB 1.800 . 5.000 4.653 4.205 5.024 0.024 4 0 "[ . 1 . 2]" 1
623 1 64 GLN H 1 79 VAL MG1 1.800 . 5.000 2.069 1.833 2.418 . 0 0 "[ . 1 . 2]" 1
624 1 64 GLN H 1 80 LEU HA 1.800 . 4.500 4.181 4.005 4.504 0.004 2 0 "[ . 1 . 2]" 1
625 1 64 GLN H 1 80 LEU QD 1.800 . 4.500 4.205 3.749 4.507 0.007 12 0 "[ . 1 . 2]" 1
626 1 64 GLN H 1 81 VAL H 1.800 . 6.000 5.694 5.311 6.017 0.017 2 0 "[ . 1 . 2]" 1
627 1 56 TYR HA 1 65 THR H 1.800 . 5.000 4.773 4.344 5.028 0.028 1 0 "[ . 1 . 2]" 1
628 1 64 GLN H 1 65 THR H 1.800 . 6.000 4.522 4.470 4.580 . 0 0 "[ . 1 . 2]" 1
629 1 64 GLN HB2 1 65 THR H 1.800 . 4.000 4.010 3.712 4.227 0.227 16 0 "[ . 1 . 2]" 1
630 1 64 GLN HB3 1 65 THR H 1.800 . 5.000 3.034 2.931 3.615 . 0 0 "[ . 1 . 2]" 1
631 1 65 THR H 1 65 THR HB 1.800 . 4.000 2.922 2.430 3.618 . 0 0 "[ . 1 . 2]" 1
632 1 65 THR H 1 65 THR MG 1.800 . 4.500 3.464 2.890 3.791 . 0 0 "[ . 1 . 2]" 1
633 1 65 THR H 1 66 LEU H 1.800 . 6.300 4.585 4.356 4.617 . 0 0 "[ . 1 . 2]" 1
634 1 65 THR H 1 66 LEU HA 1.800 . 6.500 5.334 5.065 5.432 . 0 0 "[ . 1 . 2]" 1
635 1 65 THR H 1 66 LEU HG 1.800 . 6.300 5.202 5.041 5.375 . 0 0 "[ . 1 . 2]" 1
636 1 64 GLN QB 1 65 THR HA 1.800 . 6.300 4.416 4.309 4.625 . 0 0 "[ . 1 . 2]" 1
637 1 65 THR HA 1 66 LEU HG 1.800 . 6.300 4.631 4.327 4.853 . 0 0 "[ . 1 . 2]" 1
638 1 65 THR HA 1 78 ASP QB 1.800 . 5.000 4.040 3.527 4.801 . 0 0 "[ . 1 . 2]" 1
639 1 65 THR HA 1 78 ASP HA 1.800 . 4.000 2.721 2.557 2.906 . 0 0 "[ . 1 . 2]" 1
640 1 64 GLN QB 1 66 LEU H 1.800 . 6.300 5.447 4.722 5.612 . 0 0 "[ . 1 . 2]" 1
641 1 65 THR HA 1 66 LEU H 1.800 . 4.000 2.264 2.143 2.370 . 0 0 "[ . 1 . 2]" 1
642 1 65 THR HB 1 66 LEU H 1.800 . 6.000 3.470 2.584 4.088 . 0 0 "[ . 1 . 2]" 1
643 1 65 THR MG 1 66 LEU H 1.800 . 4.500 2.564 1.927 3.875 . 0 0 "[ . 1 . 2]" 1
644 1 66 LEU H 1 66 LEU QB 1.800 . 5.000 2.648 2.456 2.766 . 0 0 "[ . 1 . 2]" 1
645 1 66 LEU H 1 66 LEU HG 1.800 . 4.300 3.830 3.387 4.025 . 0 0 "[ . 1 . 2]" 1
646 1 66 LEU H 1 67 THR H 1.800 . 6.300 4.315 3.986 4.546 . 0 0 "[ . 1 . 2]" 1
647 1 66 LEU H 1 77 PHE H 1.800 . 4.000 2.850 2.687 3.063 . 0 0 "[ . 1 . 2]" 1
648 1 66 LEU H 1 78 ASP HA 1.800 . 4.000 3.528 3.177 3.691 . 0 0 "[ . 1 . 2]" 1
649 1 66 LEU H 1 79 VAL HB 1.800 . 6.300 5.930 5.190 6.291 . 0 0 "[ . 1 . 2]" 1
650 1 55 GLY QA 1 66 LEU HA 1.800 . 5.000 3.392 3.030 3.829 . 0 0 "[ . 1 . 2]" 1
651 1 56 TYR HB2 1 66 LEU HA 1.800 . 4.000 4.069 3.918 4.206 0.206 12 0 "[ . 1 . 2]" 1
652 1 66 LEU HA 1 67 THR HB 1.800 . 6.300 5.368 5.062 5.576 . 0 0 "[ . 1 . 2]" 1
653 1 53 ILE HA 1 67 THR H 1.800 . 4.500 3.918 3.612 4.247 . 0 0 "[ . 1 . 2]" 1
654 1 53 ILE HB 1 67 THR H 1.800 . 5.500 5.351 5.070 5.532 0.032 3 0 "[ . 1 . 2]" 1
655 1 55 GLY H 1 67 THR H 1.800 . 6.000 5.201 4.967 5.370 . 0 0 "[ . 1 . 2]" 1
656 1 56 TYR HA 1 67 THR H 1.800 . 6.500 6.289 5.752 6.570 0.070 3 0 "[ . 1 . 2]" 1
657 1 66 LEU HA 1 67 THR H 1.800 . 3.300 2.194 2.142 2.276 . 0 0 "[ . 1 . 2]" 1
658 1 66 LEU QB 1 67 THR H 1.800 . 4.300 2.993 2.683 3.462 . 0 0 "[ . 1 . 2]" 1
659 1 66 LEU HG 1 67 THR H 1.800 . 4.300 4.312 4.052 4.395 0.095 13 0 "[ . 1 . 2]" 1
660 1 67 THR H 1 68 LEU H 1.800 . 6.300 4.116 4.021 4.384 . 0 0 "[ . 1 . 2]" 1
661 1 67 THR H 1 68 LEU QB 1.800 . 6.000 5.002 4.857 5.220 . 0 0 "[ . 1 . 2]" 1
662 1 67 THR H 1 76 SER HA 1.800 . 5.500 5.010 4.878 5.354 . 0 0 "[ . 1 . 2]" 1
663 1 67 THR H 1 77 PHE H 1.800 . 5.500 5.091 4.849 5.185 . 0 0 "[ . 1 . 2]" 1
664 1 53 ILE MG 1 67 THR HA 1.800 . 5.500 4.297 3.945 4.654 . 0 0 "[ . 1 . 2]" 1
665 1 54 SER QB 1 67 THR HA 1.800 . 6.500 5.826 5.520 6.344 . 0 0 "[ . 1 . 2]" 1
666 1 66 LEU H 1 67 THR HA 1.800 . 6.300 4.813 4.594 5.160 . 0 0 "[ . 1 . 2]" 1
667 1 67 THR HA 1 75 VAL H 1.800 . 5.000 4.242 4.059 4.409 . 0 0 "[ . 1 . 2]" 1
668 1 67 THR HA 1 76 SER HA 1.800 . 4.000 2.656 2.496 2.936 . 0 0 "[ . 1 . 2]" 1
669 1 67 THR MG 1 69 HIS HA 1.800 . 6.300 5.671 5.079 6.119 . 0 0 "[ . 1 . 2]" 1
670 1 67 THR MG 1 69 HIS QB 1.800 . 6.300 5.194 4.371 5.820 . 0 0 "[ . 1 . 2]" 1
671 1 67 THR MG 1 74 GLU HA 1.800 . 5.000 4.739 4.136 5.022 0.022 18 0 "[ . 1 . 2]" 1
672 1 67 THR MG 1 74 GLU QG 1.800 . 5.000 3.558 2.041 4.462 . 0 0 "[ . 1 . 2]" 1
673 1 67 THR MG 1 77 PHE H 1.800 . 5.500 4.208 4.021 4.595 . 0 0 "[ . 1 . 2]" 1
674 1 67 THR HB 1 68 LEU HG 1.800 . 6.300 6.062 5.826 6.461 0.161 18 0 "[ . 1 . 2]" 1
675 1 53 ILE HA 1 68 LEU H 1.800 . 5.000 4.460 4.110 4.858 . 0 0 "[ . 1 . 2]" 1
676 1 67 THR HA 1 68 LEU H 1.800 . 3.500 2.155 2.142 2.176 . 0 0 "[ . 1 . 2]" 1
677 1 67 THR HB 1 68 LEU H 1.800 . 6.300 3.839 3.226 4.016 . 0 0 "[ . 1 . 2]" 1
678 1 67 THR MG 1 68 LEU H 1.800 . 4.500 3.432 3.034 3.628 . 0 0 "[ . 1 . 2]" 1
679 1 68 LEU H 1 69 HIS QB 1.800 . 6.500 5.462 5.048 5.828 . 0 0 "[ . 1 . 2]" 1
680 1 68 LEU H 1 74 GLU QG 1.800 . 6.500 5.351 3.662 6.352 . 0 0 "[ . 1 . 2]" 1
681 1 68 LEU H 1 75 VAL H 1.800 . 3.500 2.991 2.544 3.110 . 0 0 "[ . 1 . 2]" 1
682 1 68 LEU H 1 76 SER HA 1.800 . 4.500 3.802 3.631 3.926 . 0 0 "[ . 1 . 2]" 1
683 1 68 LEU H 1 76 SER QB 1.800 . 6.000 5.287 4.914 5.633 . 0 0 "[ . 1 . 2]" 1
684 1 68 LEU H 1 77 PHE H 1.800 . 5.500 5.036 4.676 5.225 . 0 0 "[ . 1 . 2]" 1
685 1 52 GLU QG 1 69 HIS H 1.800 . 6.500 5.307 4.982 5.657 . 0 0 "[ . 1 . 2]" 1
686 1 53 ILE MD 1 69 HIS H 1.800 . 5.500 3.660 3.445 3.869 . 0 0 "[ . 1 . 2]" 1
687 1 67 THR MG 1 69 HIS H 1.800 . 6.300 5.782 5.271 6.105 . 0 0 "[ . 1 . 2]" 1
688 1 69 HIS H 1 70 TYR H 1.800 . 5.500 4.265 4.138 4.363 . 0 0 "[ . 1 . 2]" 1
689 1 69 HIS H 1 74 GLU HA 1.800 . 5.500 4.894 4.824 5.027 . 0 0 "[ . 1 . 2]" 1
690 1 69 HIS HA 1 73 HIS HA 1.800 . 6.000 5.508 5.376 5.769 . 0 0 "[ . 1 . 2]" 1
691 1 69 HIS HA 1 74 GLU HA 1.800 . 4.000 2.577 2.481 2.897 . 0 0 "[ . 1 . 2]" 1
692 1 69 HIS HA 1 74 GLU QG 1.800 . 6.000 4.661 3.141 5.377 . 0 0 "[ . 1 . 2]" 1
693 1 52 GLU H 1 70 TYR H 1.800 . 5.500 5.256 5.033 5.519 0.019 12 0 "[ . 1 . 2]" 1
694 1 69 HIS HA 1 70 TYR H 1.800 . 3.300 2.149 2.141 2.161 . 0 0 "[ . 1 . 2]" 1
695 1 69 HIS QB 1 70 TYR H 1.800 . 4.300 3.537 3.208 3.902 . 0 0 "[ . 1 . 2]" 1
696 1 70 TYR H 1 71 GLN HA 1.800 . 6.300 5.702 5.638 5.794 . 0 0 "[ . 1 . 2]" 1
697 1 70 TYR H 1 71 GLN QB 1.800 . 6.300 4.693 4.592 4.850 . 0 0 "[ . 1 . 2]" 1
698 1 70 TYR H 1 71 GLN QG 1.800 . 6.300 6.034 5.172 6.316 0.016 8 0 "[ . 1 . 2]" 1
699 1 70 TYR H 1 73 HIS H 1.800 . 3.500 3.238 2.990 3.546 0.046 13 0 "[ . 1 . 2]" 1
700 1 70 TYR H 1 74 GLU HA 1.800 . 4.500 3.769 3.609 3.995 . 0 0 "[ . 1 . 2]" 1
701 1 69 HIS HA 1 70 TYR HA 1.800 . 6.300 4.397 4.380 4.412 . 0 0 "[ . 1 . 2]" 1
702 1 70 TYR HA 1 71 GLN QG 1.800 . 6.300 4.661 3.825 5.080 . 0 0 "[ . 1 . 2]" 1
703 1 52 GLU H 1 71 GLN H 1.800 . 6.500 6.225 5.694 6.517 0.017 8 0 "[ . 1 . 2]" 1
704 1 70 TYR HA 1 71 GLN H 1.800 . 3.500 2.145 2.138 2.161 . 0 0 "[ . 1 . 2]" 1
705 1 70 TYR QB 1 71 GLN H 1.800 . 6.300 3.705 3.168 3.861 . 0 0 "[ . 1 . 2]" 1
706 1 71 GLN H 1 71 GLN HG2 1.800 . 4.800 3.302 2.604 3.663 . 0 0 "[ . 1 . 2]" 1
707 1 71 GLN H 1 71 GLN HG3 1.800 . 4.800 4.338 3.341 4.696 . 0 0 "[ . 1 . 2]" 1
708 1 71 GLN H 1 72 GLY H 1.800 . 5.000 3.565 2.645 4.113 . 0 0 "[ . 1 . 2]" 1
709 1 71 GLN H 1 73 HIS H 1.800 . 6.300 4.561 4.287 4.786 . 0 0 "[ . 1 . 2]" 1
710 1 70 TYR HA 1 71 GLN HG2 1.800 . 6.300 5.002 3.932 5.663 . 0 0 "[ . 1 . 2]" 1
711 1 70 TYR HA 1 71 GLN HG3 1.800 . 6.300 5.671 4.300 6.218 . 0 0 "[ . 1 . 2]" 1
712 1 69 HIS HA 1 72 GLY H 1.800 . 6.500 5.749 4.744 6.353 . 0 0 "[ . 1 . 2]" 1
713 1 69 HIS QB 1 72 GLY H 1.800 . 6.500 5.854 4.731 6.520 0.020 10 0 "[ . 1 . 2]" 1
714 1 70 TYR HA 1 72 GLY H 1.800 . 5.500 4.458 3.406 5.082 . 0 0 "[ . 1 . 2]" 1
715 1 71 GLN HA 1 72 GLY H 1.800 . 3.800 3.346 2.935 3.542 . 0 0 "[ . 1 . 2]" 1
716 1 71 GLN QG 1 72 GLY H 1.800 . 5.800 4.179 3.878 4.795 . 0 0 "[ . 1 . 2]" 1
717 1 71 GLN QB 1 72 GLY H 1.800 . 6.300 2.577 1.928 3.780 . 0 0 "[ . 1 . 2]" 1
718 1 72 GLY H 1 73 HIS H 1.800 . 4.300 2.181 1.848 2.778 . 0 0 "[ . 1 . 2]" 1
719 1 69 HIS HA 1 73 HIS H 1.800 . 5.000 4.800 4.612 5.018 0.018 13 0 "[ . 1 . 2]" 1
720 1 72 GLY HA3 1 73 HIS H 1.800 . 5.300 3.261 2.995 3.391 . 0 0 "[ . 1 . 2]" 1
721 1 72 GLY HA2 1 73 HIS H 1.800 . 5.300 3.263 3.142 3.476 . 0 0 "[ . 1 . 2]" 1
722 1 73 HIS H 1 73 HIS QB 1.800 . 3.800 2.289 2.079 2.827 . 0 0 "[ . 1 . 2]" 1
723 1 73 HIS H 1 74 GLU HA 1.800 . 6.300 5.168 4.972 5.423 . 0 0 "[ . 1 . 2]" 1
724 1 9 ILE MD 1 73 HIS QB 1.800 . 4.500 3.684 1.937 4.525 0.025 9 0 "[ . 1 . 2]" 1
725 1 68 LEU HG 1 74 GLU H 1.800 . 6.000 6.047 5.855 6.103 0.103 12 0 "[ . 1 . 2]" 1
726 1 69 HIS HA 1 74 GLU H 1.800 . 5.500 4.934 4.850 5.096 . 0 0 "[ . 1 . 2]" 1
727 1 73 HIS H 1 74 GLU H 1.800 . 5.500 4.530 4.474 4.597 . 0 0 "[ . 1 . 2]" 1
728 1 73 HIS HA 1 74 GLU H 1.800 . 3.000 2.236 2.161 2.351 . 0 0 "[ . 1 . 2]" 1
729 1 73 HIS QB 1 74 GLU H 1.800 . 3.800 3.092 2.654 3.579 . 0 0 "[ . 1 . 2]" 1
730 1 67 THR HA 1 74 GLU HA 1.800 . 6.000 5.875 5.724 6.046 0.046 15 0 "[ . 1 . 2]" 1
731 1 68 LEU H 1 74 GLU HA 1.800 . 5.000 4.675 4.260 4.778 . 0 0 "[ . 1 . 2]" 1
732 1 69 HIS QB 1 74 GLU HA 1.800 . 5.500 4.267 3.718 4.628 . 0 0 "[ . 1 . 2]" 1
733 1 74 GLU HA 1 75 VAL HB 1.800 . 6.300 4.728 4.452 5.660 . 0 0 "[ . 1 . 2]" 1
734 1 67 THR HA 1 74 GLU QG 1.800 . 6.500 5.483 3.945 6.508 0.008 17 0 "[ . 1 . 2]" 1
735 1 74 GLU QG 1 75 VAL H 1.800 . 5.300 3.440 2.322 4.209 . 0 0 "[ . 1 . 2]" 1
736 1 13 GLN QG 1 75 VAL H 1.800 . 6.500 6.319 5.697 6.517 0.017 20 0 "[ . 1 . 2]" 1
737 1 67 THR HB 1 75 VAL H 1.800 . 5.500 5.246 4.590 5.513 0.013 5 0 "[ . 1 . 2]" 1
738 1 67 THR MG 1 75 VAL H 1.800 . 4.500 3.889 3.344 4.235 . 0 0 "[ . 1 . 2]" 1
739 1 69 HIS HA 1 75 VAL H 1.800 . 4.500 3.959 3.883 4.147 . 0 0 "[ . 1 . 2]" 1
740 1 74 GLU H 1 75 VAL H 1.800 . 5.300 4.358 4.292 4.432 . 0 0 "[ . 1 . 2]" 1
741 1 74 GLU HA 1 75 VAL H 1.800 . 3.300 2.181 2.178 2.184 . 0 0 "[ . 1 . 2]" 1
742 1 13 GLN QG 1 75 VAL HA 1.800 . 6.000 5.945 5.479 6.112 0.112 7 0 "[ . 1 . 2]" 1
743 1 67 THR MG 1 75 VAL HA 1.800 . 6.000 4.765 4.409 5.326 . 0 0 "[ . 1 . 2]" 1
744 1 68 LEU H 1 75 VAL HA 1.800 . 5.500 4.906 4.566 5.021 . 0 0 "[ . 1 . 2]" 1
745 1 68 LEU HG 1 75 VAL HA 1.800 . 6.300 4.435 4.190 5.339 . 0 0 "[ . 1 . 2]" 1
746 1 74 GLU HA 1 75 VAL HA 1.800 . 6.300 4.413 4.406 4.420 . 0 0 "[ . 1 . 2]" 1
747 1 74 GLU QG 1 75 VAL HA 1.800 . 5.000 3.988 3.648 4.310 . 0 0 "[ . 1 . 2]" 1
748 1 75 VAL HA 1 76 SER HB2 1.800 . 6.300 4.738 4.117 5.658 . 0 0 "[ . 1 . 2]" 1
749 1 75 VAL HA 1 76 SER HB3 1.800 . 6.300 4.546 4.084 5.416 . 0 0 "[ . 1 . 2]" 1
750 1 67 THR MG 1 75 VAL HB 1.800 . 6.000 5.418 4.894 5.945 . 0 0 "[ . 1 . 2]" 1
751 1 68 LEU QB 1 75 VAL HB 1.800 . 4.500 3.769 1.981 4.536 0.036 18 0 "[ . 1 . 2]" 1
752 1 75 VAL HB 1 76 SER QB 1.800 . 5.800 5.518 4.870 5.729 . 0 0 "[ . 1 . 2]" 1
753 1 13 GLN QG 1 76 SER H 1.800 . 6.500 6.468 6.208 6.550 0.050 20 0 "[ . 1 . 2]" 1
754 1 68 LEU H 1 76 SER H 1.800 . 5.500 5.136 4.925 5.197 . 0 0 "[ . 1 . 2]" 1
755 1 75 VAL HA 1 76 SER H 1.800 . 3.000 2.216 2.148 2.290 . 0 0 "[ . 1 . 2]" 1
756 1 75 VAL HB 1 76 SER H 1.800 . 4.300 3.835 2.723 4.206 . 0 0 "[ . 1 . 2]" 1
757 1 76 SER H 1 77 PHE H 1.800 . 5.300 4.471 4.354 4.565 . 0 0 "[ . 1 . 2]" 1
758 1 76 SER H 1 77 PHE HA 1.800 . 5.800 5.165 5.002 5.264 . 0 0 "[ . 1 . 2]" 1
759 1 65 THR MG 1 76 SER HA 1.800 . 6.000 4.714 3.915 5.667 . 0 0 "[ . 1 . 2]" 1
760 1 66 LEU H 1 76 SER HA 1.800 . 5.000 4.410 4.256 4.879 . 0 0 "[ . 1 . 2]" 1
761 1 67 THR MG 1 76 SER HA 1.800 . 4.500 2.824 2.557 3.285 . 0 0 "[ . 1 . 2]" 1
762 1 65 THR MG 1 76 SER HB2 1.800 . 6.000 4.619 3.189 5.765 . 0 0 "[ . 1 . 2]" 1
763 1 65 THR MG 1 76 SER HB3 1.800 . 6.000 5.100 4.113 5.882 . 0 0 "[ . 1 . 2]" 1
764 1 65 THR MG 1 77 PHE H 1.800 . 4.500 3.892 3.159 4.516 0.016 13 0 "[ . 1 . 2]" 1
765 1 66 LEU QB 1 77 PHE H 1.800 . 5.000 3.233 2.886 3.589 . 0 0 "[ . 1 . 2]" 1
766 1 66 LEU HG 1 77 PHE H 1.800 . 6.000 5.871 5.465 6.047 0.047 18 0 "[ . 1 . 2]" 1
767 1 67 THR HA 1 77 PHE H 1.800 . 4.500 3.882 3.696 3.999 . 0 0 "[ . 1 . 2]" 1
768 1 68 LEU QB 1 77 PHE H 1.800 . 6.300 6.100 5.328 6.313 0.013 2 0 "[ . 1 . 2]" 1
769 1 76 SER HA 1 77 PHE H 1.800 . 3.000 2.205 2.172 2.263 . 0 0 "[ . 1 . 2]" 1
770 1 76 SER HB2 1 77 PHE H 1.800 . 4.500 3.831 2.992 4.401 . 0 0 "[ . 1 . 2]" 1
771 1 76 SER HB3 1 77 PHE H 1.800 . 4.500 4.025 3.420 4.353 . 0 0 "[ . 1 . 2]" 1
772 1 66 LEU H 1 77 PHE HA 1.800 . 5.000 4.829 4.721 4.913 . 0 0 "[ . 1 . 2]" 1
773 1 76 SER HA 1 77 PHE HA 1.800 . 6.300 4.442 4.414 4.474 . 0 0 "[ . 1 . 2]" 1
774 1 77 PHE HA 1 78 ASP H 1.800 . 3.000 2.447 2.207 2.497 . 0 0 "[ . 1 . 2]" 1
775 1 77 PHE QB 1 78 ASP H 1.800 . 4.300 2.437 2.201 3.005 . 0 0 "[ . 1 . 2]" 1
776 1 63 ARG HG2 1 78 ASP HA 1.800 . 6.000 5.655 4.792 6.044 0.044 2 0 "[ . 1 . 2]" 1
777 1 64 GLN HB2 1 78 ASP HA 1.800 . 6.000 5.618 5.025 6.104 0.104 10 0 "[ . 1 . 2]" 1
778 1 65 THR MG 1 78 ASP HA 1.800 . 5.000 4.023 3.533 4.409 . 0 0 "[ . 1 . 2]" 1
779 1 66 LEU HG 1 78 ASP HA 1.800 . 5.500 5.265 4.868 5.524 0.024 3 0 "[ . 1 . 2]" 1
780 1 78 ASP HA 1 79 VAL QG 1.800 . 6.300 3.725 3.474 3.830 . 0 0 "[ . 1 . 2]" 1
781 1 63 ARG QB 1 79 VAL H 1.800 . 6.500 5.668 5.298 5.997 . 0 0 "[ . 1 . 2]" 1
782 1 63 ARG QG 1 79 VAL H 1.800 . 6.000 4.771 4.281 5.436 . 0 0 "[ . 1 . 2]" 1
783 1 63 ARG QD 1 79 VAL H 1.800 . 6.000 5.706 4.814 6.032 0.032 12 0 "[ . 1 . 2]" 1
784 1 64 GLN HB2 1 79 VAL H 1.800 . 5.000 4.100 3.644 4.563 . 0 0 "[ . 1 . 2]" 1
785 1 64 GLN HB3 1 79 VAL H 1.800 . 6.000 4.843 3.786 5.393 . 0 0 "[ . 1 . 2]" 1
786 1 65 THR HA 1 79 VAL H 1.800 . 4.500 3.965 3.849 4.167 . 0 0 "[ . 1 . 2]" 1
787 1 65 THR HB 1 79 VAL H 1.800 . 6.500 6.606 6.504 6.721 0.221 16 0 "[ . 1 . 2]" 1
788 1 66 LEU HG 1 79 VAL H 1.800 . 5.500 5.217 4.773 5.547 0.047 2 0 "[ . 1 . 2]" 1
789 1 66 LEU H 1 79 VAL H 1.800 . 5.500 5.060 4.599 5.271 . 0 0 "[ . 1 . 2]" 1
790 1 78 ASP HA 1 79 VAL H 1.800 . 3.300 2.253 2.175 2.300 . 0 0 "[ . 1 . 2]" 1
791 1 79 VAL H 1 79 VAL MG1 1.800 . 5.000 2.063 1.914 2.174 . 0 0 "[ . 1 . 2]" 1
792 1 79 VAL H 1 79 VAL MG2 1.800 . 4.500 3.884 3.822 3.915 . 0 0 "[ . 1 . 2]" 1
793 1 79 VAL H 1 80 LEU H 1.800 . 6.300 4.442 4.428 4.472 . 0 0 "[ . 1 . 2]" 1
794 1 19 TYR H 1 80 LEU H 1.800 . 4.500 4.434 3.976 4.579 0.079 19 0 "[ . 1 . 2]" 1
795 1 79 VAL HA 1 80 LEU H 1.800 . 3.300 2.202 2.188 2.236 . 0 0 "[ . 1 . 2]" 1
796 1 79 VAL HB 1 80 LEU H 1.800 . 4.300 4.109 3.948 4.157 . 0 0 "[ . 1 . 2]" 1
797 1 79 VAL MG1 1 80 LEU H 1.800 . 4.500 3.767 3.620 3.990 . 0 0 "[ . 1 . 2]" 1
798 1 79 VAL MG2 1 80 LEU H 1.800 . 4.500 2.143 1.951 2.401 . 0 0 "[ . 1 . 2]" 1
799 1 80 LEU H 1 80 LEU QB 1.800 . 4.500 2.652 2.448 2.885 . 0 0 "[ . 1 . 2]" 1
800 1 80 LEU H 1 81 VAL H 1.800 . 6.300 4.237 4.116 4.368 . 0 0 "[ . 1 . 2]" 1
801 1 80 LEU HA 1 81 VAL HB 1.800 . 6.300 4.479 4.413 4.667 . 0 0 "[ . 1 . 2]" 1
802 1 80 LEU HA 1 81 VAL QG 1.800 . 6.300 3.745 3.583 3.812 . 0 0 "[ . 1 . 2]" 1
803 1 80 LEU QB 1 81 VAL HB 1.800 . 6.300 5.524 5.266 5.756 . 0 0 "[ . 1 . 2]" 1
804 1 80 LEU QB 1 81 VAL H 1.800 . 6.300 3.407 3.014 3.751 . 0 0 "[ . 1 . 2]" 1
805 1 19 TYR H 1 81 VAL H 1.800 . 5.500 5.247 5.036 5.391 . 0 0 "[ . 1 . 2]" 1
806 1 61 THR HA 1 81 VAL H 1.800 . 5.500 5.475 4.897 5.632 0.132 16 0 "[ . 1 . 2]" 1
807 1 61 THR MG 1 81 VAL H 1.800 . 6.500 4.247 3.621 5.209 . 0 0 "[ . 1 . 2]" 1
808 1 62 GLY QA 1 81 VAL H 1.800 . 5.800 3.065 1.915 4.141 . 0 0 "[ . 1 . 2]" 1
809 1 63 ARG HA 1 81 VAL H 1.800 . 6.000 5.470 5.233 5.861 . 0 0 "[ . 1 . 2]" 1
810 1 80 LEU HA 1 81 VAL H 1.800 . 3.300 2.158 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
811 1 80 LEU QD 1 81 VAL H 1.800 . 4.300 3.367 1.986 4.303 0.003 12 0 "[ . 1 . 2]" 1
812 1 81 VAL H 1 81 VAL MG1 1.800 . 5.300 2.023 1.941 2.137 . 0 0 "[ . 1 . 2]" 1
813 1 81 VAL H 1 81 VAL MG2 1.800 . 5.300 3.836 3.795 3.892 . 0 0 "[ . 1 . 2]" 1
814 1 19 TYR H 1 81 VAL HA 1.800 . 3.500 2.895 2.638 3.042 . 0 0 "[ . 1 . 2]" 1
815 1 19 TYR HB2 1 81 VAL HA 1.800 . 6.000 5.172 3.752 5.941 . 0 0 "[ . 1 . 2]" 1
816 1 19 TYR HB3 1 81 VAL HA 1.800 . 6.000 5.289 4.667 5.869 . 0 0 "[ . 1 . 2]" 1
817 1 20 LEU HA 1 81 VAL HA 1.800 . 5.000 4.321 3.866 4.837 . 0 0 "[ . 1 . 2]" 1
818 1 61 THR HA 1 81 VAL HB 1.800 . 5.500 5.137 4.491 5.546 0.046 16 0 "[ . 1 . 2]" 1
819 1 79 VAL QG 1 81 VAL HB 1.800 . 6.000 3.975 3.547 4.282 . 0 0 "[ . 1 . 2]" 1
820 1 19 TYR HB2 1 82 SER H 1.800 . 6.500 5.900 4.922 6.371 . 0 0 "[ . 1 . 2]" 1
821 1 19 TYR HB3 1 82 SER H 1.800 . 6.500 6.101 5.445 6.536 0.036 2 0 "[ . 1 . 2]" 1
822 1 20 LEU HA 1 82 SER H 1.800 . 3.500 2.912 2.486 3.599 0.099 6 0 "[ . 1 . 2]" 1
823 1 81 VAL HB 1 82 SER H 1.800 . 6.300 4.162 4.061 4.193 . 0 0 "[ . 1 . 2]" 1
824 1 81 VAL H 1 82 SER H 1.800 . 6.300 4.504 4.431 4.519 . 0 0 "[ . 1 . 2]" 1
825 1 81 VAL QG 1 82 SER H 1.800 . 4.800 2.298 2.126 2.421 . 0 0 "[ . 1 . 2]" 1
826 1 20 LEU QD 1 84 LYS H 1.800 . 5.500 3.845 2.677 4.919 . 0 0 "[ . 1 . 2]" 1
827 1 20 LEU HA 1 84 LYS H 1.800 . 6.000 4.520 3.548 5.549 . 0 0 "[ . 1 . 2]" 1
828 1 83 PRO HB2 1 84 LYS H 1.800 . 4.300 3.659 2.982 4.038 . 0 0 "[ . 1 . 2]" 1
829 1 83 PRO HB3 1 84 LYS H 1.800 . 4.300 4.131 3.654 4.377 0.077 18 0 "[ . 1 . 2]" 1
830 1 84 LYS H 1 84 LYS QB 1.800 . 3.800 2.692 2.150 3.350 . 0 0 "[ . 1 . 2]" 1
831 1 84 LYS H 1 84 LYS QG 1.800 . 4.300 3.263 2.013 4.201 . 0 0 "[ . 1 . 2]" 1
832 1 84 LYS H 1 84 LYS QE 1.800 . 6.300 5.166 4.139 5.954 . 0 0 "[ . 1 . 2]" 1
833 1 20 LEU HA 1 84 LYS HA 1.800 . 5.000 4.410 3.910 4.944 . 0 0 "[ . 1 . 2]" 1
834 1 21 VAL QG 1 84 LYS QB 1.800 . 5.000 3.221 1.893 4.737 . 0 0 "[ . 1 . 2]" 1
835 1 20 LEU HA 1 84 LYS QG 1.800 . 6.500 5.814 4.472 6.568 0.068 14 0 "[ . 1 . 2]" 1
836 1 20 LEU QD 1 84 LYS QG 1.800 . 5.500 3.455 1.784 5.359 0.016 18 0 "[ . 1 . 2]" 1
837 1 21 VAL H 1 84 LYS QG 1.800 . 6.000 4.773 2.922 5.822 . 0 0 "[ . 1 . 2]" 1
838 1 84 LYS HA 1 85 ALA H 1.800 . 3.000 2.459 2.145 2.859 . 0 0 "[ . 1 . 2]" 1
839 1 84 LYS QE 1 85 ALA H 1.800 . 6.300 5.053 4.063 6.294 . 0 0 "[ . 1 . 2]" 1
840 1 84 LYS HB2 1 85 ALA H 1.800 . 4.300 3.595 2.444 4.404 0.104 14 0 "[ . 1 . 2]" 1
841 1 85 ALA H 1 85 ALA MB 1.800 . 3.000 2.677 2.175 2.915 . 0 0 "[ . 1 . 2]" 1
842 1 85 ALA HA 1 86 ALA H 1.800 . 3.000 2.582 2.175 2.879 . 0 0 "[ . 1 . 2]" 1
843 1 85 ALA MB 1 86 ALA H 1.800 . 4.000 2.854 1.949 3.721 . 0 0 "[ . 1 . 2]" 1
844 1 86 ALA HA 1 87 LEU H 1.800 . 3.000 2.508 2.173 3.339 0.339 8 0 "[ . 1 . 2]" 1
845 1 86 ALA MB 1 87 LEU H 1.800 . 3.000 2.436 2.062 3.167 0.167 8 0 "[ . 1 . 2]" 1
846 1 88 ASN HA 1 89 ASP H 1.800 . 3.300 2.220 2.148 2.257 . 0 0 "[ . 1 . 2]" 1
847 1 88 ASN HB2 1 89 ASP H 1.800 . 6.000 4.000 2.852 4.450 . 0 0 "[ . 1 . 2]" 1
848 1 88 ASN HB3 1 89 ASP H 1.800 . 6.000 3.526 2.939 4.205 . 0 0 "[ . 1 . 2]" 1
849 1 89 ASP H 1 90 GLU H 1.800 . 6.400 4.471 4.373 4.616 . 0 0 "[ . 1 . 2]" 1
850 1 89 ASP HA 1 90 GLU H 1.800 . 3.000 2.514 2.172 2.710 . 0 0 "[ . 1 . 2]" 1
851 1 89 ASP HB2 1 90 GLU H 1.800 . 3.300 2.712 1.993 3.301 0.001 9 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 38
_Distance_constraint_stats_list.Viol_count 760
_Distance_constraint_stats_list.Viol_total 787.761
_Distance_constraint_stats_list.Viol_max 0.226
_Distance_constraint_stats_list.Viol_rms 0.0355
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0518
_Distance_constraint_stats_list.Viol_average_violations_only 0.0518
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 GLY 0.794 0.090 11 0 "[ . 1 . 2]"
1 10 GLU 5.093 0.164 4 0 "[ . 1 . 2]"
1 17 LYS 1.897 0.144 11 0 "[ . 1 . 2]"
1 19 TYR 1.718 0.108 11 0 "[ . 1 . 2]"
1 21 VAL 2.256 0.097 18 0 "[ . 1 . 2]"
1 33 ALA 5.093 0.164 4 0 "[ . 1 . 2]"
1 34 VAL 2.563 0.091 7 0 "[ . 1 . 2]"
1 35 ALA 0.794 0.090 11 0 "[ . 1 . 2]"
1 42 GLU 2.563 0.091 7 0 "[ . 1 . 2]"
1 52 GLU 2.658 0.128 15 0 "[ . 1 . 2]"
1 54 SER 5.259 0.131 5 0 "[ . 1 . 2]"
1 64 GLN 4.747 0.226 2 0 "[ . 1 . 2]"
1 66 LEU 5.675 0.226 17 0 "[ . 1 . 2]"
1 67 THR 5.259 0.131 5 0 "[ . 1 . 2]"
1 68 LEU 3.523 0.131 7 0 "[ . 1 . 2]"
1 69 HIS 2.658 0.128 15 0 "[ . 1 . 2]"
1 70 TYR 3.205 0.140 9 0 "[ . 1 . 2]"
1 73 HIS 3.205 0.140 9 0 "[ . 1 . 2]"
1 75 VAL 3.523 0.131 7 0 "[ . 1 . 2]"
1 77 PHE 5.675 0.226 17 0 "[ . 1 . 2]"
1 79 VAL 4.747 0.226 2 0 "[ . 1 . 2]"
1 80 LEU 1.897 0.144 11 0 "[ . 1 . 2]"
1 82 SER 3.973 0.108 11 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 8 GLY O 1 35 ALA H 2.200 2.200 2.200 2.226 2.210 2.290 0.090 11 0 "[ . 1 . 2]" 2
2 1 8 GLY O 1 35 ALA N 3.200 3.200 3.200 3.186 3.176 3.194 0.024 2 0 "[ . 1 . 2]" 2
3 1 10 GLU H 1 33 ALA O 2.200 2.200 2.200 2.247 2.164 2.298 0.098 18 0 "[ . 1 . 2]" 2
4 1 10 GLU N 1 33 ALA O 3.200 3.200 3.200 3.096 3.036 3.133 0.164 4 0 "[ . 1 . 2]" 2
5 1 10 GLU O 1 33 ALA H 2.200 2.200 2.200 2.280 2.225 2.315 0.115 15 0 "[ . 1 . 2]" 2
6 1 10 GLU O 1 33 ALA N 3.200 3.200 3.200 3.188 3.154 3.238 0.046 18 0 "[ . 1 . 2]" 2
7 1 34 VAL H 1 42 GLU O 2.200 2.200 2.200 2.228 2.212 2.245 0.045 13 0 "[ . 1 . 2]" 2
8 1 34 VAL N 1 42 GLU O 3.200 3.200 3.200 3.186 3.129 3.208 0.071 8 0 "[ . 1 . 2]" 2
9 1 34 VAL O 1 42 GLU H 2.200 2.200 2.200 2.256 2.232 2.291 0.091 7 0 "[ . 1 . 2]" 2
10 1 34 VAL O 1 42 GLU N 3.200 3.200 3.200 3.173 3.138 3.198 0.062 13 0 "[ . 1 . 2]" 2
11 1 52 GLU O 1 69 HIS H 2.200 2.200 2.200 2.167 2.127 2.208 0.073 12 0 "[ . 1 . 2]" 2
12 1 52 GLU O 1 69 HIS N 3.000 3.000 3.000 3.099 3.071 3.128 0.128 15 0 "[ . 1 . 2]" 2
13 1 54 SER H 1 67 THR O 2.200 2.200 2.200 2.257 2.206 2.292 0.092 9 0 "[ . 1 . 2]" 2
14 1 54 SER N 1 67 THR O 3.200 3.200 3.200 3.137 3.097 3.179 0.103 19 0 "[ . 1 . 2]" 2
15 1 54 SER O 1 67 THR H 2.200 2.200 2.200 2.278 2.230 2.319 0.119 15 0 "[ . 1 . 2]" 2
16 1 54 SER O 1 67 THR N 3.200 3.200 3.200 3.137 3.069 3.217 0.131 5 0 "[ . 1 . 2]" 2
17 1 64 GLN H 1 79 VAL O 2.200 2.200 2.200 2.286 2.228 2.426 0.226 2 0 "[ . 1 . 2]" 2
18 1 64 GLN N 1 79 VAL O 3.200 3.200 3.200 3.153 3.092 3.306 0.108 11 0 "[ . 1 . 2]" 2
19 1 64 GLN O 1 79 VAL H 2.000 . 2.000 2.027 2.001 2.063 0.063 7 0 "[ . 1 . 2]" 2
20 1 64 GLN O 1 79 VAL N 3.000 3.000 3.000 2.934 2.886 3.003 0.114 6 0 "[ . 1 . 2]" 2
21 1 66 LEU H 1 77 PHE O 2.000 . 2.000 2.058 1.999 2.106 0.106 17 0 "[ . 1 . 2]" 2
22 1 66 LEU N 1 77 PHE O 3.000 3.000 3.000 2.874 2.774 2.952 0.226 17 0 "[ . 1 . 2]" 2
23 1 66 LEU O 1 77 PHE H 2.000 . 2.000 2.054 2.004 2.088 0.088 13 0 "[ . 1 . 2]" 2
24 1 66 LEU O 1 77 PHE N 3.000 3.000 3.000 2.962 2.901 3.029 0.099 11 0 "[ . 1 . 2]" 2
25 1 68 LEU H 1 75 VAL O 2.000 . 2.000 2.061 1.977 2.089 0.089 20 0 "[ . 1 . 2]" 2
26 1 68 LEU N 1 75 VAL O 3.000 3.000 3.000 2.978 2.934 3.011 0.066 7 0 "[ . 1 . 2]" 2
27 1 68 LEU O 1 75 VAL H 2.000 . 2.000 2.072 2.019 2.131 0.131 7 0 "[ . 1 . 2]" 2
28 1 68 LEU O 1 75 VAL N 3.000 3.000 3.000 2.992 2.956 3.023 0.044 7 0 "[ . 1 . 2]" 2
29 1 70 TYR H 1 73 HIS O 2.000 . 2.000 2.044 2.008 2.085 0.085 12 0 "[ . 1 . 2]" 2
30 1 70 TYR N 1 73 HIS O 3.000 3.000 3.000 2.994 2.946 3.046 0.054 13 0 "[ . 1 . 2]" 2
31 1 70 TYR O 1 73 HIS H 2.000 . 2.000 2.020 1.964 2.095 0.095 13 0 "[ . 1 . 2]" 2
32 1 70 TYR O 1 73 HIS N 3.000 3.000 3.000 2.940 2.860 2.987 0.140 9 0 "[ . 1 . 2]" 2
33 1 21 VAL H 1 82 SER O 2.400 2.400 2.400 2.460 2.428 2.497 0.097 18 0 "[ . 1 . 2]" 2
34 1 21 VAL N 1 82 SER O 3.400 3.400 3.400 3.347 3.306 3.373 0.094 20 0 "[ . 1 . 2]" 2
35 1 17 LYS O 1 80 LEU H 2.400 2.400 2.400 2.464 2.414 2.544 0.144 11 0 "[ . 1 . 2]" 2
36 1 17 LYS O 1 80 LEU N 3.400 3.400 3.400 3.390 3.347 3.488 0.088 19 0 "[ . 1 . 2]" 2
37 1 19 TYR O 1 82 SER H 2.400 2.400 2.400 2.429 2.370 2.461 0.061 4 0 "[ . 1 . 2]" 2
38 1 19 TYR O 1 82 SER N 3.400 3.400 3.400 3.347 3.292 3.379 0.108 11 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 11:51:45 AM GMT (wattos1)