NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578595 |
2mqg   |
25032 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqg
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 428
_Distance_constraint_stats_list.Viol_count 761
_Distance_constraint_stats_list.Viol_total 514.490
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0338
_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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.000 0.000 3 0 "[ . 1 . 2]"
1 5 ILE 0.000 0.000 3 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.006 0.006 1 0 "[ . 1 . 2]"
1 12 LEU 0.144 0.037 18 0 "[ . 1 . 2]"
1 13 SER 0.738 0.092 18 0 "[ . 1 . 2]"
1 14 SER 0.314 0.047 18 0 "[ . 1 . 2]"
1 15 ILE 0.770 0.140 4 0 "[ . 1 . 2]"
1 16 SER 0.177 0.027 4 0 "[ . 1 . 2]"
1 17 ILE 0.149 0.056 14 0 "[ . 1 . 2]"
1 18 SER 1.228 0.163 8 0 "[ . 1 . 2]"
1 19 PRO 2.844 0.163 8 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.514 0.074 11 0 "[ . 1 . 2]"
1 22 THR 2.978 0.230 17 0 "[ . 1 . 2]"
1 23 ASN 0.345 0.050 19 0 "[ . 1 . 2]"
1 24 ILE 0.386 0.097 10 0 "[ . 1 . 2]"
1 25 ASN 1.073 0.080 14 0 "[ . 1 . 2]"
1 26 THR 0.243 0.125 7 0 "[ . 1 . 2]"
1 27 THR 0.243 0.125 7 0 "[ . 1 . 2]"
1 28 VAL 0.322 0.068 15 0 "[ . 1 . 2]"
1 30 LYS 0.783 0.076 17 0 "[ . 1 . 2]"
1 31 GLN 3.345 0.206 13 0 "[ . 1 . 2]"
1 32 PHE 1.795 0.112 13 0 "[ . 1 . 2]"
1 33 PHE 0.142 0.134 19 0 "[ . 1 . 2]"
1 34 ALA 0.031 0.018 17 0 "[ . 1 . 2]"
1 35 VAL 1.287 0.115 16 0 "[ . 1 . 2]"
1 36 GLY 0.025 0.025 1 0 "[ . 1 . 2]"
1 37 THR 0.231 0.047 18 0 "[ . 1 . 2]"
1 38 TYR 0.124 0.026 18 0 "[ . 1 . 2]"
1 39 SER 0.138 0.037 18 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 0.025 0.025 1 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 1.562 0.133 18 0 "[ . 1 . 2]"
1 47 THR 1.747 0.177 18 0 "[ . 1 . 2]"
1 48 SER 0.068 0.057 13 0 "[ . 1 . 2]"
1 49 SER 0.068 0.057 13 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 THR 0.135 0.053 10 0 "[ . 1 . 2]"
1 52 TRP 1.676 0.086 3 0 "[ . 1 . 2]"
1 53 SER 0.101 0.068 16 0 "[ . 1 . 2]"
1 54 SER 0.202 0.046 17 0 "[ . 1 . 2]"
1 55 SER 0.112 0.022 19 0 "[ . 1 . 2]"
1 56 ASN 0.380 0.116 20 0 "[ . 1 . 2]"
1 57 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 SER 0.955 0.129 11 0 "[ . 1 . 2]"
1 59 GLN 1.329 0.144 17 0 "[ . 1 . 2]"
1 60 ALA 1.350 0.144 17 0 "[ . 1 . 2]"
1 61 LYS 0.226 0.038 13 0 "[ . 1 . 2]"
1 62 VAL 0.628 0.072 3 0 "[ . 1 . 2]"
1 63 SER 0.729 0.124 20 0 "[ . 1 . 2]"
1 64 ASN 0.453 0.065 17 0 "[ . 1 . 2]"
1 65 ALA 0.140 0.100 16 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 1.533 0.177 18 0 "[ . 1 . 2]"
1 68 THR 0.570 0.133 18 0 "[ . 1 . 2]"
1 69 LYS 0.140 0.100 16 0 "[ . 1 . 2]"
1 70 GLY 1.839 0.206 13 0 "[ . 1 . 2]"
1 71 LEU 1.130 0.124 20 0 "[ . 1 . 2]"
1 72 VAL 0.454 0.054 19 0 "[ . 1 . 2]"
1 73 THR 0.226 0.038 13 0 "[ . 1 . 2]"
1 74 GLY 0.447 0.068 15 0 "[ . 1 . 2]"
1 75 ILE 0.477 0.054 12 0 "[ . 1 . 2]"
1 76 ALA 0.523 0.101 20 0 "[ . 1 . 2]"
1 77 SER 0.644 0.099 8 0 "[ . 1 . 2]"
1 78 GLY 0.164 0.116 20 0 "[ . 1 . 2]"
1 79 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PRO 0.130 0.064 20 0 "[ . 1 . 2]"
1 81 THR 0.501 0.044 8 0 "[ . 1 . 2]"
1 82 ILE 0.017 0.017 17 0 "[ . 1 . 2]"
1 83 ILE 0.101 0.068 16 0 "[ . 1 . 2]"
1 84 ALA 0.303 0.069 15 0 "[ . 1 . 2]"
1 85 THR 0.243 0.053 6 0 "[ . 1 . 2]"
1 86 TYR 0.745 0.112 18 0 "[ . 1 . 2]"
1 87 GLY 0.697 0.092 18 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.609 0.112 18 0 "[ . 1 . 2]"
1 90 SER 0.770 0.140 4 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 0.677 0.079 18 0 "[ . 1 . 2]"
1 93 THR 0.102 0.029 4 0 "[ . 1 . 2]"
1 94 ILE 0.284 0.050 19 0 "[ . 1 . 2]"
1 95 LEU 0.354 0.052 19 0 "[ . 1 . 2]"
1 96 THR 2.347 0.230 17 0 "[ . 1 . 2]"
1 97 VAL 0.902 0.080 14 0 "[ . 1 . 2]"
1 98 ASN 0.816 0.099 8 0 "[ . 1 . 2]"
1 99 LYS 0.007 0.003 12 0 "[ . 1 . 2]"
1 100 THR 0.093 0.032 3 0 "[ . 1 . 2]"
1 101 ASP 0.007 0.003 12 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 ILE H 1 5 ILE HG12 1.800 . 5.300 4.886 3.934 5.269 . 0 0 "[ . 1 . 2]" 1
2 1 3 ILE HA 1 4 ASP H 1.800 . 3.600 2.654 2.160 3.563 . 0 0 "[ . 1 . 2]" 1
3 1 3 ILE HB 1 4 ASP H 1.800 . 4.600 3.955 1.906 4.460 . 0 0 "[ . 1 . 2]" 1
4 1 4 ASP H 1 5 ILE H 1.800 . 6.200 3.604 2.172 4.605 . 0 0 "[ . 1 . 2]" 1
5 1 4 ASP HB2 1 5 ILE H 1.800 . 4.600 4.071 1.947 4.600 0.000 3 0 "[ . 1 . 2]" 1
6 1 4 ASP HB3 1 5 ILE H 1.800 . 4.600 3.922 2.590 4.484 . 0 0 "[ . 1 . 2]" 1
7 1 4 ASP HA 1 5 ILE H 1.800 . 3.600 2.541 2.140 3.568 . 0 0 "[ . 1 . 2]" 1
8 1 5 ILE HA 1 6 THR H 1.800 . 3.600 2.583 2.147 3.565 . 0 0 "[ . 1 . 2]" 1
9 1 6 THR HA 1 7 VAL H 1.800 . 3.600 2.772 2.149 3.571 . 0 0 "[ . 1 . 2]" 1
10 1 6 THR HB 1 7 VAL H 1.800 . 4.600 3.605 2.106 4.600 . 0 0 "[ . 1 . 2]" 1
11 1 7 VAL H 1 7 VAL QG 1.800 . 5.600 2.310 1.889 2.923 . 0 0 "[ . 1 . 2]" 1
12 1 7 VAL HA 1 8 SER H 1.800 . 3.600 2.479 2.141 3.565 . 0 0 "[ . 1 . 2]" 1
13 1 7 VAL HB 1 8 SER H 1.800 . 4.600 3.494 1.916 4.468 . 0 0 "[ . 1 . 2]" 1
14 1 7 VAL QG 1 8 SER H 1.800 . 5.300 2.962 2.029 3.491 . 0 0 "[ . 1 . 2]" 1
15 1 8 SER HA 1 9 ALA H 1.800 . 3.600 2.822 2.140 3.569 . 0 0 "[ . 1 . 2]" 1
16 1 8 SER H 1 9 ALA H 1.800 . 5.600 3.365 1.955 4.642 . 0 0 "[ . 1 . 2]" 1
17 1 9 ALA HA 1 10 ALA H 1.800 . 3.600 2.461 2.143 3.548 . 0 0 "[ . 1 . 2]" 1
18 1 10 ALA HA 1 11 THR H 1.800 . 3.600 2.680 2.145 3.566 . 0 0 "[ . 1 . 2]" 1
19 1 11 THR H 1 12 LEU H 1.800 . 5.700 3.118 1.898 4.440 . 0 0 "[ . 1 . 2]" 1
20 1 12 LEU H 1 12 LEU QD 1.800 . 5.600 2.528 1.915 3.542 . 0 0 "[ . 1 . 2]" 1
21 1 11 THR HA 1 12 LEU H 1.800 . 3.600 2.754 2.150 3.566 . 0 0 "[ . 1 . 2]" 1
22 1 11 THR HB 1 12 LEU H 1.800 . 4.400 3.820 1.963 4.406 0.006 1 0 "[ . 1 . 2]" 1
23 1 12 LEU HA 1 13 SER H 1.800 . 3.600 2.147 2.138 2.210 . 0 0 "[ . 1 . 2]" 1
24 1 12 LEU QD 1 13 SER H 1.800 . 5.300 3.626 2.230 4.448 . 0 0 "[ . 1 . 2]" 1
25 1 12 LEU HG 1 13 SER H 1.800 . 5.600 4.964 3.284 5.360 . 0 0 "[ . 1 . 2]" 1
26 1 12 LEU HB2 1 13 SER H 1.800 . 4.600 4.107 3.058 4.514 . 0 0 "[ . 1 . 2]" 1
27 1 12 LEU HB3 1 13 SER H 1.800 . 4.600 3.596 3.142 4.180 . 0 0 "[ . 1 . 2]" 1
28 1 13 SER H 1 14 SER H 1.800 . 5.300 2.121 2.118 2.127 . 0 0 "[ . 1 . 2]" 1
29 1 13 SER H 1 87 GLY HA3 1.800 . 5.900 5.925 5.901 5.992 0.092 18 0 "[ . 1 . 2]" 1
30 1 13 SER HA 1 87 GLY HA3 1.800 . 5.900 5.881 5.481 5.933 0.033 18 0 "[ . 1 . 2]" 1
31 1 13 SER HA 1 14 SER H 1.800 . 3.600 3.549 3.548 3.550 . 0 0 "[ . 1 . 2]" 1
32 1 13 SER HB2 1 14 SER H 1.800 . 4.600 3.913 3.481 4.050 . 0 0 "[ . 1 . 2]" 1
33 1 13 SER HB3 1 14 SER H 1.800 . 4.600 2.627 2.489 2.833 . 0 0 "[ . 1 . 2]" 1
34 1 14 SER H 1 15 ILE H 1.800 . 6.000 4.372 4.332 4.429 . 0 0 "[ . 1 . 2]" 1
35 1 14 SER H 1 38 TYR HA 1.800 . 4.600 4.574 4.157 4.626 0.026 18 0 "[ . 1 . 2]" 1
36 1 14 SER H 1 37 THR HB 1.800 . 4.500 3.719 2.943 4.495 . 0 0 "[ . 1 . 2]" 1
37 1 14 SER HA 1 15 ILE H 1.800 . 3.600 2.296 2.258 2.493 . 0 0 "[ . 1 . 2]" 1
38 1 15 ILE HB 1 90 SER H 1.800 . 5.300 5.259 4.939 5.440 0.140 4 0 "[ . 1 . 2]" 1
39 1 15 ILE H 1 89 VAL QG 1.800 . 6.200 1.942 1.811 2.573 . 0 0 "[ . 1 . 2]" 1
40 1 15 ILE HA 1 36 GLY HA2 1.800 . 5.900 2.681 2.461 2.867 . 0 0 "[ . 1 . 2]" 1
41 1 15 ILE HA 1 16 SER H 1.800 . 3.600 2.269 2.218 2.312 . 0 0 "[ . 1 . 2]" 1
42 1 15 ILE HB 1 16 SER H 1.800 . 4.500 3.739 3.579 3.959 . 0 0 "[ . 1 . 2]" 1
43 1 16 SER H 1 17 ILE HA 1.800 . 6.100 4.884 4.745 5.004 . 0 0 "[ . 1 . 2]" 1
44 1 16 SER H 1 36 GLY H 1.800 . 5.500 4.937 4.811 5.113 . 0 0 "[ . 1 . 2]" 1
45 1 16 SER H 1 34 ALA HA 1.800 . 6.200 5.531 4.718 5.853 . 0 0 "[ . 1 . 2]" 1
46 1 16 SER H 1 36 GLY HA3 1.800 . 5.400 4.840 4.484 5.287 . 0 0 "[ . 1 . 2]" 1
47 1 16 SER H 1 35 VAL HB 1.800 . 4.600 4.253 3.226 4.627 0.027 4 0 "[ . 1 . 2]" 1
48 1 16 SER H 1 35 VAL HA 1.800 . 5.500 5.101 4.937 5.211 . 0 0 "[ . 1 . 2]" 1
49 1 16 SER H 1 35 VAL QG 1.800 . 5.500 2.990 2.421 4.085 . 0 0 "[ . 1 . 2]" 1
50 1 16 SER HA 1 17 ILE H 1.800 . 3.600 2.159 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
51 1 17 ILE H 1 18 SER H 1.800 . 6.200 4.441 4.411 4.508 . 0 0 "[ . 1 . 2]" 1
52 1 17 ILE HA 1 18 SER H 1.800 . 3.600 2.216 2.167 2.226 . 0 0 "[ . 1 . 2]" 1
53 1 17 ILE HB 1 18 SER H 1.800 . 4.400 3.932 3.798 4.148 . 0 0 "[ . 1 . 2]" 1
54 1 18 SER H 1 19 PRO HB2 1.800 . 6.200 6.261 6.201 6.363 0.163 8 0 "[ . 1 . 2]" 1
55 1 18 SER H 1 19 PRO HA 1.800 . 6.000 4.487 4.410 4.572 . 0 0 "[ . 1 . 2]" 1
56 1 18 SER H 1 33 PHE HB3 1.800 . 4.500 3.538 2.878 4.462 . 0 0 "[ . 1 . 2]" 1
57 1 18 SER H 1 33 PHE HB2 1.800 . 4.500 3.800 3.146 4.262 . 0 0 "[ . 1 . 2]" 1
58 1 18 SER H 1 34 ALA HA 1.800 . 5.500 3.542 3.013 4.032 . 0 0 "[ . 1 . 2]" 1
59 1 18 SER H 1 33 PHE H 1.800 . 4.200 3.715 2.849 4.205 0.005 19 0 "[ . 1 . 2]" 1
60 1 19 PRO HA 1 93 THR HB 1.800 . 6.200 4.921 3.323 6.206 0.006 19 0 "[ . 1 . 2]" 1
61 1 19 PRO HA 1 20 ILE H 1.800 . 3.600 2.349 2.283 2.407 . 0 0 "[ . 1 . 2]" 1
62 1 19 PRO HB2 1 20 ILE H 1.800 . 4.600 2.751 2.596 2.936 . 0 0 "[ . 1 . 2]" 1
63 1 20 ILE H 1 94 ILE H 1.800 . 6.300 5.016 4.417 5.573 . 0 0 "[ . 1 . 2]" 1
64 1 21 ASN HD21 1 94 ILE HG12 1.800 . 6.300 3.662 2.040 5.797 . 0 0 "[ . 1 . 2]" 1
65 1 21 ASN HA 1 22 THR H 1.800 . 3.600 2.184 2.147 2.267 . 0 0 "[ . 1 . 2]" 1
66 1 21 ASN HB2 1 22 THR H 1.800 . 4.300 4.117 3.651 4.354 0.054 17 0 "[ . 1 . 2]" 1
67 1 21 ASN HB3 1 22 THR H 1.800 . 4.300 4.059 3.783 4.374 0.074 11 0 "[ . 1 . 2]" 1
68 1 22 THR H 1 95 LEU QD 1.800 . 5.900 3.347 2.111 4.245 . 0 0 "[ . 1 . 2]" 1
69 1 22 THR H 1 95 LEU HB2 1.800 . 5.900 5.128 4.284 5.952 0.052 19 0 "[ . 1 . 2]" 1
70 1 22 THR H 1 96 THR H 1.800 . 5.900 4.472 4.255 4.691 . 0 0 "[ . 1 . 2]" 1
71 1 22 THR HA 1 30 LYS HG3 1.800 . 5.900 5.814 4.876 5.957 0.057 13 0 "[ . 1 . 2]" 1
72 1 22 THR HA 1 23 ASN H 1.800 . 3.600 2.356 2.351 2.366 . 0 0 "[ . 1 . 2]" 1
73 1 22 THR HB 1 23 ASN H 1.800 . 4.400 3.230 3.135 3.371 . 0 0 "[ . 1 . 2]" 1
74 1 22 THR H 1 23 ASN H 1.800 . 5.200 4.457 4.455 4.459 . 0 0 "[ . 1 . 2]" 1
75 1 23 ASN H 1 96 THR H 1.800 . 5.900 4.942 4.743 5.110 . 0 0 "[ . 1 . 2]" 1
76 1 23 ASN H 1 96 THR HB 1.800 . 5.400 4.657 4.447 5.120 . 0 0 "[ . 1 . 2]" 1
77 1 23 ASN H 1 95 LEU QD 1.800 . 5.900 4.736 4.069 5.922 0.022 17 0 "[ . 1 . 2]" 1
78 1 23 ASN HD22 1 95 LEU HA 1.800 . 5.900 5.387 4.641 5.906 0.006 2 0 "[ . 1 . 2]" 1
79 1 23 ASN HD22 1 94 ILE HG13 1.800 . 5.900 5.872 5.612 5.950 0.050 19 0 "[ . 1 . 2]" 1
80 1 22 THR HA 1 23 ASN HD22 1.800 . 5.900 4.051 3.879 4.382 . 0 0 "[ . 1 . 2]" 1
81 1 23 ASN HD22 1 24 ILE H 1.800 . 5.900 5.827 5.615 5.918 0.018 5 0 "[ . 1 . 2]" 1
82 1 23 ASN H 1 23 ASN HD22 1.800 . 5.900 3.958 3.780 4.208 . 0 0 "[ . 1 . 2]" 1
83 1 23 ASN HA 1 24 ILE H 1.800 . 3.600 2.190 2.172 2.218 . 0 0 "[ . 1 . 2]" 1
84 1 24 ILE H 1 25 ASN HA 1.800 . 5.900 4.829 4.722 5.092 . 0 0 "[ . 1 . 2]" 1
85 1 23 ASN H 1 24 ILE H 1.800 . 5.900 4.458 4.391 4.502 . 0 0 "[ . 1 . 2]" 1
86 1 24 ILE H 1 96 THR HA 1.800 . 5.100 4.945 4.667 5.197 0.097 10 0 "[ . 1 . 2]" 1
87 1 24 ILE H 1 96 THR HB 1.800 . 5.600 3.343 2.896 3.724 . 0 0 "[ . 1 . 2]" 1
88 1 24 ILE H 1 97 VAL HB 1.800 . 6.200 5.823 5.163 6.246 0.046 7 0 "[ . 1 . 2]" 1
89 1 24 ILE HA 1 25 ASN H 1.800 . 3.600 2.302 2.186 2.320 . 0 0 "[ . 1 . 2]" 1
90 1 24 ILE HB 1 25 ASN H 1.800 . 4.400 3.333 2.591 4.042 . 0 0 "[ . 1 . 2]" 1
91 1 25 ASN H 1 26 THR H 1.800 . 5.900 4.431 4.275 4.513 . 0 0 "[ . 1 . 2]" 1
92 1 25 ASN HD22 1 98 ASN HA 1.800 . 5.900 4.451 4.099 4.874 . 0 0 "[ . 1 . 2]" 1
93 1 25 ASN HD22 1 97 VAL HB 1.800 . 6.300 6.339 6.307 6.380 0.080 14 0 "[ . 1 . 2]" 1
94 1 25 ASN HD22 1 100 THR HA 1.800 . 5.900 5.781 5.379 5.932 0.032 3 0 "[ . 1 . 2]" 1
95 1 25 ASN HD21 1 26 THR H 1.800 . 5.900 2.310 1.857 3.559 . 0 0 "[ . 1 . 2]" 1
96 1 25 ASN H 1 25 ASN HD21 1.800 . 5.900 4.653 4.308 5.052 . 0 0 "[ . 1 . 2]" 1
97 1 25 ASN HA 1 26 THR H 1.800 . 3.600 2.373 2.201 2.520 . 0 0 "[ . 1 . 2]" 1
98 1 26 THR H 1 27 THR HA 1.800 . 5.200 4.961 4.729 5.325 0.125 7 0 "[ . 1 . 2]" 1
99 1 27 THR HA 1 74 GLY H 1.800 . 5.900 4.743 4.294 5.217 . 0 0 "[ . 1 . 2]" 1
100 1 27 THR HA 1 28 VAL H 1.800 . 3.600 2.203 2.142 2.331 . 0 0 "[ . 1 . 2]" 1
101 1 25 ASN H 1 28 VAL H 1.800 . 6.200 5.443 4.472 6.222 0.022 16 0 "[ . 1 . 2]" 1
102 1 28 VAL H 1 74 GLY HA3 1.800 . 5.600 5.400 4.660 5.668 0.068 15 0 "[ . 1 . 2]" 1
103 1 30 LYS H 1 73 THR H 1.800 . 5.600 5.011 4.535 5.219 . 0 0 "[ . 1 . 2]" 1
104 1 30 LYS H 1 73 THR HA 1.800 . 5.500 3.707 3.534 3.957 . 0 0 "[ . 1 . 2]" 1
105 1 30 LYS H 1 72 VAL HB 1.800 . 5.600 5.021 4.711 5.447 . 0 0 "[ . 1 . 2]" 1
106 1 30 LYS HA 1 71 LEU HB3 1.800 . 6.200 5.900 5.240 6.276 0.076 17 0 "[ . 1 . 2]" 1
107 1 30 LYS HA 1 31 GLN H 1.800 . 3.500 2.157 2.140 2.197 . 0 0 "[ . 1 . 2]" 1
108 1 30 LYS HG2 1 31 GLN H 1.800 . 5.200 4.540 3.990 5.098 . 0 0 "[ . 1 . 2]" 1
109 1 30 LYS H 1 31 GLN H 1.800 . 5.500 4.421 4.305 4.526 . 0 0 "[ . 1 . 2]" 1
110 1 31 GLN H 1 32 PHE H 1.800 . 5.400 4.420 4.245 4.562 . 0 0 "[ . 1 . 2]" 1
111 1 31 GLN HE22 1 71 LEU HA 1.800 . 5.900 3.926 3.269 4.754 . 0 0 "[ . 1 . 2]" 1
112 1 31 GLN HE22 1 70 GLY HA2 1.800 . 5.900 5.171 4.667 5.921 0.021 15 0 "[ . 1 . 2]" 1
113 1 31 GLN HE22 1 32 PHE H 1.800 . 5.900 3.085 2.071 3.602 . 0 0 "[ . 1 . 2]" 1
114 1 31 GLN HE22 1 70 GLY HA3 1.800 . 5.900 4.093 3.439 4.631 . 0 0 "[ . 1 . 2]" 1
115 1 31 GLN HE22 1 71 LEU HB3 1.800 . 5.900 3.598 2.177 5.684 . 0 0 "[ . 1 . 2]" 1
116 1 31 GLN HE22 1 32 PHE HA 1.800 . 5.900 5.394 4.524 5.955 0.055 19 0 "[ . 1 . 2]" 1
117 1 31 GLN HE22 1 33 PHE HA 1.800 . 5.900 5.211 3.972 6.034 0.134 19 0 "[ . 1 . 2]" 1
118 1 31 GLN H 1 31 GLN HE22 1.800 . 5.900 5.956 5.810 6.082 0.182 4 0 "[ . 1 . 2]" 1
119 1 31 GLN HA 1 31 GLN HE22 1.800 . 5.900 3.306 3.024 3.622 . 0 0 "[ . 1 . 2]" 1
120 1 31 GLN HA 1 71 LEU HA 1.800 . 5.900 2.372 2.150 2.635 . 0 0 "[ . 1 . 2]" 1
121 1 31 GLN HA 1 32 PHE H 1.800 . 3.600 2.152 2.139 2.203 . 0 0 "[ . 1 . 2]" 1
122 1 32 PHE H 1 33 PHE H 1.800 . 5.600 4.431 4.320 4.514 . 0 0 "[ . 1 . 2]" 1
123 1 32 PHE H 1 71 LEU HB3 1.800 . 5.300 4.414 3.407 5.408 0.108 13 0 "[ . 1 . 2]" 1
124 1 32 PHE H 1 71 LEU HA 1.800 . 4.900 3.098 2.195 3.629 . 0 0 "[ . 1 . 2]" 1
125 1 32 PHE H 1 70 GLY HA3 1.800 . 4.900 4.280 2.869 4.967 0.067 14 0 "[ . 1 . 2]" 1
126 1 19 PRO HB2 1 32 PHE HA 1.800 . 6.300 6.347 6.316 6.412 0.112 13 0 "[ . 1 . 2]" 1
127 1 32 PHE HA 1 33 PHE H 1.800 . 3.600 2.573 2.255 2.762 . 0 0 "[ . 1 . 2]" 1
128 1 33 PHE H 1 34 ALA H 1.800 . 5.600 4.442 4.345 4.458 . 0 0 "[ . 1 . 2]" 1
129 1 33 PHE HA 1 34 ALA H 1.800 . 3.600 2.198 2.185 2.212 . 0 0 "[ . 1 . 2]" 1
130 1 33 PHE HB2 1 34 ALA H 1.800 . 4.600 4.296 4.099 4.367 . 0 0 "[ . 1 . 2]" 1
131 1 33 PHE HB3 1 34 ALA H 1.800 . 4.600 3.259 3.028 3.568 . 0 0 "[ . 1 . 2]" 1
132 1 17 ILE HA 1 34 ALA HA 1.800 . 5.200 2.758 2.400 3.150 . 0 0 "[ . 1 . 2]" 1
133 1 34 ALA HA 1 35 VAL H 1.800 . 3.600 2.147 2.141 2.161 . 0 0 "[ . 1 . 2]" 1
134 1 35 VAL H 1 36 GLY H 1.800 . 5.900 4.372 4.155 4.483 . 0 0 "[ . 1 . 2]" 1
135 1 34 ALA H 1 35 VAL H 1.800 . 5.600 4.142 3.988 4.241 . 0 0 "[ . 1 . 2]" 1
136 1 17 ILE HG12 1 35 VAL H 1.800 . 5.500 5.010 3.587 5.556 0.056 14 0 "[ . 1 . 2]" 1
137 1 35 VAL HA 1 45 ASP HB3 1.800 . 6.000 3.878 3.160 4.413 . 0 0 "[ . 1 . 2]" 1
138 1 35 VAL HA 1 36 GLY H 1.800 . 3.600 2.192 2.146 2.206 . 0 0 "[ . 1 . 2]" 1
139 1 35 VAL HB 1 36 GLY H 1.800 . 4.400 3.354 2.975 3.961 . 0 0 "[ . 1 . 2]" 1
140 1 35 VAL QG 1 36 GLY H 1.800 . 4.900 3.089 2.034 3.596 . 0 0 "[ . 1 . 2]" 1
141 1 36 GLY H 1 45 ASP HA 1.800 . 5.300 3.088 2.347 3.631 . 0 0 "[ . 1 . 2]" 1
142 1 36 GLY H 1 44 ALA H 1.800 . 4.400 3.278 2.974 3.890 . 0 0 "[ . 1 . 2]" 1
143 1 36 GLY HA2 1 37 THR H 1.800 . 3.700 2.173 2.143 2.197 . 0 0 "[ . 1 . 2]" 1
144 1 36 GLY H 1 37 THR H 1.800 . 5.300 4.441 4.317 4.522 . 0 0 "[ . 1 . 2]" 1
145 1 37 THR H 1 38 TYR H 1.800 . 5.900 4.332 4.254 4.462 . 0 0 "[ . 1 . 2]" 1
146 1 15 ILE HA 1 37 THR H 1.800 . 4.900 2.666 2.419 3.121 . 0 0 "[ . 1 . 2]" 1
147 1 14 SER H 1 37 THR H 1.800 . 4.300 4.233 3.803 4.347 0.047 18 0 "[ . 1 . 2]" 1
148 1 13 SER H 1 37 THR H 1.800 . 5.900 5.101 4.531 5.347 . 0 0 "[ . 1 . 2]" 1
149 1 13 SER HB3 1 37 THR H 1.800 . 6.400 6.257 5.818 6.421 0.021 15 0 "[ . 1 . 2]" 1
150 1 37 THR HA 1 38 TYR H 1.800 . 3.600 2.148 2.141 2.173 . 0 0 "[ . 1 . 2]" 1
151 1 37 THR HB 1 38 TYR H 1.800 . 4.500 3.917 3.371 4.261 . 0 0 "[ . 1 . 2]" 1
152 1 38 TYR H 1 39 SER H 1.800 . 5.300 4.597 4.564 4.612 . 0 0 "[ . 1 . 2]" 1
153 1 38 TYR H 1 43 LYS H 1.800 . 6.000 4.687 4.558 4.811 . 0 0 "[ . 1 . 2]" 1
154 1 13 SER HB3 1 38 TYR HA 1.800 . 6.000 4.457 3.783 5.078 . 0 0 "[ . 1 . 2]" 1
155 1 38 TYR HA 1 39 SER H 1.800 . 3.600 2.242 2.190 2.261 . 0 0 "[ . 1 . 2]" 1
156 1 38 TYR HB2 1 39 SER H 1.800 . 5.100 4.046 3.870 4.251 . 0 0 "[ . 1 . 2]" 1
157 1 38 TYR HB3 1 39 SER H 1.800 . 5.100 2.935 2.803 3.378 . 0 0 "[ . 1 . 2]" 1
158 1 13 SER H 1 39 SER H 1.800 . 5.600 3.385 3.009 3.641 . 0 0 "[ . 1 . 2]" 1
159 1 12 LEU H 1 39 SER H 1.800 . 5.100 5.023 4.511 5.137 0.037 18 0 "[ . 1 . 2]" 1
160 1 13 SER HB2 1 39 SER H 1.800 . 5.600 3.828 3.216 4.242 . 0 0 "[ . 1 . 2]" 1
161 1 12 LEU HA 1 39 SER H 1.800 . 4.900 3.563 3.154 3.983 . 0 0 "[ . 1 . 2]" 1
162 1 12 LEU QD 1 39 SER H 1.800 . 5.600 4.719 3.723 5.565 . 0 0 "[ . 1 . 2]" 1
163 1 39 SER H 1 40 ASP H 1.800 . 5.500 2.635 2.504 2.669 . 0 0 "[ . 1 . 2]" 1
164 1 40 ASP H 1 41 GLY H 1.800 . 5.200 2.572 2.567 2.589 . 0 0 "[ . 1 . 2]" 1
165 1 40 ASP H 1 41 GLY HA3 1.800 . 5.900 5.220 5.213 5.234 . 0 0 "[ . 1 . 2]" 1
166 1 40 ASP HB3 1 41 GLY H 1.800 . 4.600 3.650 3.338 4.323 . 0 0 "[ . 1 . 2]" 1
167 1 39 SER H 1 41 GLY H 1.800 . 6.200 4.227 4.158 4.343 . 0 0 "[ . 1 . 2]" 1
168 1 41 GLY HA3 1 42 THR H 1.800 . 3.900 3.540 3.487 3.555 . 0 0 "[ . 1 . 2]" 1
169 1 37 THR HA 1 42 THR H 1.800 . 5.900 4.558 4.350 5.423 . 0 0 "[ . 1 . 2]" 1
170 1 38 TYR HB2 1 42 THR H 1.800 . 4.700 2.921 2.521 3.817 . 0 0 "[ . 1 . 2]" 1
171 1 38 TYR HB3 1 42 THR H 1.800 . 4.700 3.963 3.050 4.443 . 0 0 "[ . 1 . 2]" 1
172 1 38 TYR H 1 42 THR H 1.800 . 3.900 3.135 2.807 3.776 . 0 0 "[ . 1 . 2]" 1
173 1 43 LYS H 1 44 ALA H 1.800 . 5.900 4.201 4.173 4.285 . 0 0 "[ . 1 . 2]" 1
174 1 36 GLY HA3 1 44 ALA H 1.800 . 4.600 4.326 4.063 4.625 0.025 1 0 "[ . 1 . 2]" 1
175 1 37 THR HA 1 44 ALA H 1.800 . 5.200 3.526 3.085 3.806 . 0 0 "[ . 1 . 2]" 1
176 1 44 ALA HA 1 45 ASP H 1.800 . 3.600 2.194 2.151 2.256 . 0 0 "[ . 1 . 2]" 1
177 1 45 ASP H 1 46 LEU H 1.800 . 5.400 4.185 3.887 4.398 . 0 0 "[ . 1 . 2]" 1
178 1 45 ASP HA 1 46 LEU H 1.800 . 3.600 2.225 2.150 2.375 . 0 0 "[ . 1 . 2]" 1
179 1 45 ASP HB2 1 46 LEU H 1.800 . 4.600 4.125 3.829 4.459 . 0 0 "[ . 1 . 2]" 1
180 1 45 ASP HB3 1 46 LEU H 1.800 . 4.600 4.222 3.670 4.578 . 0 0 "[ . 1 . 2]" 1
181 1 46 LEU H 1 46 LEU QD 1.800 . 5.900 3.296 2.626 3.893 . 0 0 "[ . 1 . 2]" 1
182 1 35 VAL HB 1 46 LEU H 1.800 . 5.100 5.121 4.660 5.215 0.115 16 0 "[ . 1 . 2]" 1
183 1 35 VAL H 1 46 LEU H 1.800 . 5.300 4.969 4.100 5.341 0.041 17 0 "[ . 1 . 2]" 1
184 1 34 ALA HA 1 46 LEU H 1.800 . 6.200 5.803 4.871 6.218 0.018 17 0 "[ . 1 . 2]" 1
185 1 46 LEU QD 1 47 THR H 1.800 . 5.200 3.475 2.583 4.070 . 0 0 "[ . 1 . 2]" 1
186 1 47 THR H 1 48 SER H 1.800 . 5.900 2.080 1.864 2.371 . 0 0 "[ . 1 . 2]" 1
187 1 47 THR H 1 67 GLU H 1.800 . 4.900 4.977 4.903 5.077 0.177 18 0 "[ . 1 . 2]" 1
188 1 47 THR HA 1 48 SER H 1.800 . 3.600 3.460 3.281 3.572 . 0 0 "[ . 1 . 2]" 1
189 1 47 THR HB 1 48 SER H 1.800 . 4.500 3.635 2.822 4.340 . 0 0 "[ . 1 . 2]" 1
190 1 48 SER H 1 49 SER HB2 1.800 . 5.900 4.606 4.207 5.658 . 0 0 "[ . 1 . 2]" 1
191 1 48 SER H 1 49 SER HB3 1.800 . 5.900 5.435 4.492 5.957 0.057 13 0 "[ . 1 . 2]" 1
192 1 48 SER H 1 49 SER H 1.800 . 4.900 2.536 2.386 2.674 . 0 0 "[ . 1 . 2]" 1
193 1 48 SER HA 1 49 SER H 1.800 . 3.600 3.443 3.389 3.470 . 0 0 "[ . 1 . 2]" 1
194 1 49 SER H 1 50 VAL H 1.800 . 5.300 2.533 2.413 2.694 . 0 0 "[ . 1 . 2]" 1
195 1 49 SER HB2 1 50 VAL H 1.800 . 4.600 3.463 2.527 4.395 . 0 0 "[ . 1 . 2]" 1
196 1 49 SER HB3 1 50 VAL H 1.800 . 4.600 3.065 2.540 4.412 . 0 0 "[ . 1 . 2]" 1
197 1 50 VAL H 1 50 VAL QG 1.800 . 5.900 2.068 1.843 2.485 . 0 0 "[ . 1 . 2]" 1
198 1 49 SER HA 1 50 VAL H 1.800 . 3.600 3.498 3.396 3.545 . 0 0 "[ . 1 . 2]" 1
199 1 50 VAL HA 1 51 THR H 1.800 . 3.600 2.272 2.159 2.522 . 0 0 "[ . 1 . 2]" 1
200 1 50 VAL HB 1 51 THR H 1.800 . 4.600 3.202 2.309 4.077 . 0 0 "[ . 1 . 2]" 1
201 1 50 VAL QG 1 51 THR H 1.800 . 5.400 2.765 2.010 3.410 . 0 0 "[ . 1 . 2]" 1
202 1 50 VAL H 1 51 THR H 1.800 . 5.900 4.587 4.533 4.641 . 0 0 "[ . 1 . 2]" 1
203 1 51 THR H 1 85 THR H 1.800 . 4.000 3.058 2.757 3.368 . 0 0 "[ . 1 . 2]" 1
204 1 51 THR H 1 85 THR HB 1.800 . 5.200 4.097 3.639 4.988 . 0 0 "[ . 1 . 2]" 1
205 1 51 THR H 1 86 TYR HB2 1.800 . 5.200 3.844 3.119 5.206 0.006 8 0 "[ . 1 . 2]" 1
206 1 51 THR H 1 86 TYR HB3 1.800 . 5.200 4.683 3.235 5.253 0.053 10 0 "[ . 1 . 2]" 1
207 1 51 THR HA 1 52 TRP H 1.800 . 3.600 2.181 2.142 2.197 . 0 0 "[ . 1 . 2]" 1
208 1 51 THR HB 1 52 TRP H 1.800 . 4.600 3.679 3.047 4.052 . 0 0 "[ . 1 . 2]" 1
209 1 52 TRP HA 1 84 ALA HA 1.800 . 5.900 2.790 2.586 2.987 . 0 0 "[ . 1 . 2]" 1
210 1 47 THR HB 1 52 TRP HE1 1.800 . 5.900 4.623 2.418 5.986 0.086 3 0 "[ . 1 . 2]" 1
211 1 52 TRP HE1 1 84 ALA HA 1.800 . 5.900 5.420 3.847 5.969 0.069 15 0 "[ . 1 . 2]" 1
212 1 52 TRP HA 1 53 SER H 1.800 . 3.600 2.167 2.141 2.211 . 0 0 "[ . 1 . 2]" 1
213 1 52 TRP HB2 1 53 SER H 1.800 . 4.600 4.224 3.924 4.526 . 0 0 "[ . 1 . 2]" 1
214 1 52 TRP HB3 1 53 SER H 1.800 . 4.600 3.257 3.090 3.684 . 0 0 "[ . 1 . 2]" 1
215 1 52 TRP H 1 53 SER H 1.800 . 5.300 4.430 4.295 4.507 . 0 0 "[ . 1 . 2]" 1
216 1 53 SER H 1 83 ILE H 1.800 . 4.100 3.090 2.625 3.601 . 0 0 "[ . 1 . 2]" 1
217 1 53 SER H 1 83 ILE HB 1.800 . 4.600 3.747 3.180 4.668 0.068 16 0 "[ . 1 . 2]" 1
218 1 53 SER H 1 84 ALA H 1.800 . 5.600 5.116 5.013 5.172 . 0 0 "[ . 1 . 2]" 1
219 1 53 SER HA 1 54 SER H 1.800 . 3.600 2.160 2.138 2.342 . 0 0 "[ . 1 . 2]" 1
220 1 54 SER H 1 55 SER H 1.800 . 5.900 4.487 4.397 4.545 . 0 0 "[ . 1 . 2]" 1
221 1 54 SER H 1 60 ALA H 1.800 . 6.000 5.900 5.413 6.046 0.046 17 0 "[ . 1 . 2]" 1
222 1 54 SER HA 1 60 ALA HA 1.800 . 6.000 5.103 4.712 5.609 . 0 0 "[ . 1 . 2]" 1
223 1 54 SER HA 1 55 SER H 1.800 . 3.600 2.304 2.220 2.321 . 0 0 "[ . 1 . 2]" 1
224 1 54 SER HB2 1 55 SER H 1.800 . 4.600 3.761 3.107 4.155 . 0 0 "[ . 1 . 2]" 1
225 1 54 SER HB3 1 55 SER H 1.800 . 4.600 3.500 2.696 4.274 . 0 0 "[ . 1 . 2]" 1
226 1 55 SER H 1 56 ASN H 1.800 . 5.900 3.069 2.549 3.249 . 0 0 "[ . 1 . 2]" 1
227 1 55 SER H 1 80 PRO HA 1.800 . 5.900 4.465 3.499 5.275 . 0 0 "[ . 1 . 2]" 1
228 1 55 SER H 1 81 THR H 1.800 . 4.300 3.511 3.084 3.914 . 0 0 "[ . 1 . 2]" 1
229 1 55 SER HA 1 81 THR HB 1.800 . 6.300 6.128 5.439 6.322 0.022 19 0 "[ . 1 . 2]" 1
230 1 55 SER HA 1 56 ASN H 1.800 . 4.000 3.547 3.458 3.570 . 0 0 "[ . 1 . 2]" 1
231 1 56 ASN H 1 57 GLN HA 1.800 . 5.900 5.375 4.950 5.542 . 0 0 "[ . 1 . 2]" 1
232 1 56 ASN H 1 59 GLN H 1.800 . 6.300 4.899 4.459 5.231 . 0 0 "[ . 1 . 2]" 1
233 1 54 SER HB2 1 56 ASN H 1.800 . 5.900 4.855 2.513 5.665 . 0 0 "[ . 1 . 2]" 1
234 1 54 SER HB3 1 56 ASN H 1.800 . 5.900 4.199 3.045 5.512 . 0 0 "[ . 1 . 2]" 1
235 1 54 SER HA 1 56 ASN H 1.800 . 5.900 4.864 3.902 5.113 . 0 0 "[ . 1 . 2]" 1
236 1 56 ASN HD22 1 59 GLN HG3 1.800 . 5.900 4.964 3.571 5.734 . 0 0 "[ . 1 . 2]" 1
237 1 56 ASN HD22 1 80 PRO HB2 1.800 . 5.900 5.178 3.471 5.964 0.064 20 0 "[ . 1 . 2]" 1
238 1 56 ASN HD22 1 78 GLY HA2 1.800 . 6.500 5.729 4.310 6.616 0.116 20 0 "[ . 1 . 2]" 1
239 1 56 ASN HD22 1 59 GLN HG2 1.800 . 5.900 5.165 3.497 5.930 0.030 4 0 "[ . 1 . 2]" 1
240 1 56 ASN HD22 1 81 THR H 1.800 . 5.900 5.224 3.646 5.922 0.022 20 0 "[ . 1 . 2]" 1
241 1 56 ASN H 1 56 ASN HD21 1.800 . 5.900 3.181 1.898 3.987 . 0 0 "[ . 1 . 2]" 1
242 1 57 GLN HB2 1 57 GLN HE22 1.800 . 5.500 5.111 4.698 5.345 . 0 0 "[ . 1 . 2]" 1
243 1 57 GLN HB3 1 57 GLN HE22 1.800 . 5.500 4.019 3.436 4.509 . 0 0 "[ . 1 . 2]" 1
244 1 57 GLN HA 1 58 SER H 1.800 . 3.600 3.416 3.353 3.513 . 0 0 "[ . 1 . 2]" 1
245 1 57 GLN HB3 1 58 SER H 1.800 . 4.600 3.423 2.831 3.744 . 0 0 "[ . 1 . 2]" 1
246 1 57 GLN H 1 58 SER H 1.800 . 5.900 2.570 2.505 2.659 . 0 0 "[ . 1 . 2]" 1
247 1 58 SER H 1 59 GLN H 1.800 . 5.000 2.536 2.438 2.692 . 0 0 "[ . 1 . 2]" 1
248 1 56 ASN HB2 1 58 SER H 1.800 . 5.200 3.585 2.643 4.456 . 0 0 "[ . 1 . 2]" 1
249 1 56 ASN HB3 1 58 SER H 1.800 . 5.400 3.037 2.696 4.270 . 0 0 "[ . 1 . 2]" 1
250 1 58 SER HA 1 59 GLN H 1.800 . 3.600 3.542 3.501 3.553 . 0 0 "[ . 1 . 2]" 1
251 1 59 GLN H 1 60 ALA H 1.800 . 5.300 2.354 2.226 2.518 . 0 0 "[ . 1 . 2]" 1
252 1 59 GLN H 1 59 GLN HG2 1.800 . 5.600 2.914 1.914 4.462 . 0 0 "[ . 1 . 2]" 1
253 1 59 GLN HE21 1 75 ILE HB 1.800 . 5.900 4.696 3.892 5.864 . 0 0 "[ . 1 . 2]" 1
254 1 56 ASN HB2 1 59 GLN HE21 1.800 . 5.900 3.400 2.339 4.285 . 0 0 "[ . 1 . 2]" 1
255 1 59 GLN HE21 1 74 GLY HA3 1.800 . 5.900 5.788 4.884 5.933 0.033 8 0 "[ . 1 . 2]" 1
256 1 58 SER HA 1 59 GLN HE21 1.800 . 6.500 5.745 4.367 6.599 0.099 11 0 "[ . 1 . 2]" 1
257 1 59 GLN HA 1 59 GLN HE21 1.800 . 5.900 4.493 3.264 5.352 . 0 0 "[ . 1 . 2]" 1
258 1 58 SER H 1 59 GLN HE21 1.800 . 5.300 4.612 3.468 5.429 0.129 11 0 "[ . 1 . 2]" 1
259 1 59 GLN HA 1 60 ALA H 1.800 . 3.600 3.275 3.249 3.372 . 0 0 "[ . 1 . 2]" 1
260 1 59 GLN HG2 1 60 ALA H 1.800 . 5.400 4.402 2.902 5.544 0.144 17 0 "[ . 1 . 2]" 1
261 1 60 ALA H 1 61 LYS H 1.800 . 5.900 3.719 3.509 4.035 . 0 0 "[ . 1 . 2]" 1
262 1 56 ASN HB2 1 60 ALA H 1.800 . 5.900 4.184 3.884 4.586 . 0 0 "[ . 1 . 2]" 1
263 1 54 SER HB2 1 60 ALA H 1.800 . 5.900 4.922 3.755 5.853 . 0 0 "[ . 1 . 2]" 1
264 1 60 ALA H 1 75 ILE H 1.800 . 5.200 5.210 5.073 5.254 0.054 12 0 "[ . 1 . 2]" 1
265 1 60 ALA H 1 74 GLY HA2 1.800 . 5.600 4.947 4.699 5.198 . 0 0 "[ . 1 . 2]" 1
266 1 60 ALA H 1 75 ILE HB 1.800 . 5.900 5.734 5.550 5.914 0.014 10 0 "[ . 1 . 2]" 1
267 1 60 ALA HA 1 61 LYS H 1.800 . 3.600 2.478 2.317 2.601 . 0 0 "[ . 1 . 2]" 1
268 1 61 LYS H 1 62 VAL H 1.800 . 5.600 4.421 4.350 4.448 . 0 0 "[ . 1 . 2]" 1
269 1 61 LYS H 1 74 GLY HA2 1.800 . 5.200 4.134 3.576 4.467 . 0 0 "[ . 1 . 2]" 1
270 1 61 LYS H 1 73 THR HB 1.800 . 5.100 5.044 4.874 5.127 0.027 10 0 "[ . 1 . 2]" 1
271 1 61 LYS H 1 73 THR H 1.800 . 4.200 3.795 3.215 4.205 0.005 15 0 "[ . 1 . 2]" 1
272 1 61 LYS HA 1 62 VAL H 1.800 . 3.600 2.200 2.190 2.229 . 0 0 "[ . 1 . 2]" 1
273 1 61 LYS HB2 1 62 VAL H 1.800 . 4.600 4.289 3.889 4.372 . 0 0 "[ . 1 . 2]" 1
274 1 61 LYS HB3 1 62 VAL H 1.800 . 4.600 3.387 3.054 3.624 . 0 0 "[ . 1 . 2]" 1
275 1 62 VAL H 1 63 SER H 1.800 . 5.600 4.354 4.231 4.444 . 0 0 "[ . 1 . 2]" 1
276 1 52 TRP HB2 1 62 VAL H 1.800 . 5.900 5.873 5.549 5.972 0.072 3 0 "[ . 1 . 2]" 1
277 1 62 VAL HA 1 72 VAL HA 1.800 . 5.900 2.202 2.006 2.471 . 0 0 "[ . 1 . 2]" 1
278 1 62 VAL HA 1 72 VAL H 1.800 . 5.900 4.778 4.658 4.934 . 0 0 "[ . 1 . 2]" 1
279 1 62 VAL HA 1 63 SER H 1.800 . 3.600 2.248 2.170 2.351 . 0 0 "[ . 1 . 2]" 1
280 1 63 SER H 1 64 ASN H 1.800 . 5.900 3.268 2.662 4.162 . 0 0 "[ . 1 . 2]" 1
281 1 62 VAL HB 1 63 SER H 1.800 . 4.600 2.874 2.505 4.044 . 0 0 "[ . 1 . 2]" 1
282 1 63 SER H 1 71 LEU HB3 1.800 . 5.500 5.147 4.475 5.559 0.059 9 0 "[ . 1 . 2]" 1
283 1 63 SER H 1 71 LEU HB2 1.800 . 5.500 4.787 3.139 5.512 0.012 9 0 "[ . 1 . 2]" 1
284 1 63 SER H 1 71 LEU HA 1.800 . 5.000 5.000 4.862 5.064 0.064 17 0 "[ . 1 . 2]" 1
285 1 63 SER H 1 72 VAL HA 1.800 . 4.900 3.570 3.141 4.166 . 0 0 "[ . 1 . 2]" 1
286 1 63 SER H 1 71 LEU H 1.800 . 4.300 4.239 3.914 4.424 0.124 20 0 "[ . 1 . 2]" 1
287 1 63 SER HA 1 64 ASN H 1.800 . 3.600 2.619 2.185 3.004 . 0 0 "[ . 1 . 2]" 1
288 1 64 ASN H 1 65 ALA H 1.800 . 5.400 4.216 3.780 4.559 . 0 0 "[ . 1 . 2]" 1
289 1 52 TRP HB3 1 64 ASN HD21 1.800 . 5.900 5.438 3.950 5.947 0.047 11 0 "[ . 1 . 2]" 1
290 1 64 ASN HD21 1 70 GLY HA2 1.800 . 5.900 4.754 2.430 5.714 . 0 0 "[ . 1 . 2]" 1
291 1 52 TRP HB2 1 64 ASN HB3 1.800 . 5.900 5.637 4.111 5.965 0.065 17 0 "[ . 1 . 2]" 1
292 1 64 ASN HA 1 65 ALA H 1.800 . 3.600 2.204 2.139 2.353 . 0 0 "[ . 1 . 2]" 1
293 1 64 ASN HB2 1 65 ALA H 1.800 . 4.600 3.806 3.178 4.245 . 0 0 "[ . 1 . 2]" 1
294 1 64 ASN HB3 1 65 ALA H 1.800 . 4.600 4.339 3.962 4.570 . 0 0 "[ . 1 . 2]" 1
295 1 65 ALA H 1 69 LYS H 1.800 . 4.600 4.296 3.939 4.700 0.100 16 0 "[ . 1 . 2]" 1
296 1 65 ALA H 1 68 THR H 1.800 . 6.200 5.228 4.300 5.829 . 0 0 "[ . 1 . 2]" 1
297 1 65 ALA HA 1 66 SER H 1.800 . 3.600 3.530 3.506 3.572 . 0 0 "[ . 1 . 2]" 1
298 1 66 SER H 1 68 THR H 1.800 . 6.200 4.849 3.655 5.699 . 0 0 "[ . 1 . 2]" 1
299 1 67 GLU H 1 68 THR H 1.800 . 5.000 2.809 2.583 3.013 . 0 0 "[ . 1 . 2]" 1
300 1 66 SER H 1 67 GLU H 1.800 . 5.600 2.668 2.297 2.896 . 0 0 "[ . 1 . 2]" 1
301 1 67 GLU HA 1 68 THR H 1.800 . 3.600 3.389 3.099 3.560 . 0 0 "[ . 1 . 2]" 1
302 1 68 THR H 1 69 LYS H 1.800 . 5.000 2.134 1.848 2.398 . 0 0 "[ . 1 . 2]" 1
303 1 68 THR H 1 69 LYS HA 1.800 . 6.200 4.331 4.164 4.664 . 0 0 "[ . 1 . 2]" 1
304 1 47 THR H 1 68 THR HB 1.800 . 6.000 5.012 3.271 5.893 . 0 0 "[ . 1 . 2]" 1
305 1 46 LEU HB3 1 68 THR HA 1.800 . 6.000 5.918 5.346 6.133 0.133 18 0 "[ . 1 . 2]" 1
306 1 68 THR HA 1 69 LYS H 1.800 . 3.600 3.101 2.965 3.260 . 0 0 "[ . 1 . 2]" 1
307 1 69 LYS H 1 70 GLY H 1.800 . 5.800 3.213 2.766 4.369 . 0 0 "[ . 1 . 2]" 1
308 1 69 LYS HA 1 70 GLY H 1.800 . 3.600 3.498 2.887 3.550 . 0 0 "[ . 1 . 2]" 1
309 1 31 GLN HA 1 70 GLY H 1.800 . 6.200 6.255 5.885 6.406 0.206 13 0 "[ . 1 . 2]" 1
310 1 70 GLY HA2 1 71 LEU H 1.800 . 3.900 3.325 3.308 3.339 . 0 0 "[ . 1 . 2]" 1
311 1 62 VAL HB 1 71 LEU H 1.800 . 6.300 5.662 5.242 6.364 0.064 12 0 "[ . 1 . 2]" 1
312 1 71 LEU HA 1 72 VAL H 1.800 . 3.600 2.220 2.139 2.361 . 0 0 "[ . 1 . 2]" 1
313 1 71 LEU HB3 1 72 VAL H 1.800 . 4.600 3.992 3.296 4.330 . 0 0 "[ . 1 . 2]" 1
314 1 31 GLN HA 1 72 VAL H 1.800 . 5.100 3.902 3.677 4.152 . 0 0 "[ . 1 . 2]" 1
315 1 30 LYS H 1 72 VAL H 1.800 . 4.200 2.878 2.403 3.051 . 0 0 "[ . 1 . 2]" 1
316 1 30 LYS HG2 1 72 VAL H 1.800 . 6.000 5.962 5.421 6.054 0.054 19 0 "[ . 1 . 2]" 1
317 1 62 VAL H 1 72 VAL HB 1.800 . 6.200 5.868 5.256 6.230 0.030 6 0 "[ . 1 . 2]" 1
318 1 72 VAL HA 1 73 THR H 1.800 . 3.600 2.204 2.139 2.364 . 0 0 "[ . 1 . 2]" 1
319 1 61 LYS HA 1 73 THR H 1.800 . 4.900 4.733 4.337 4.938 0.038 13 0 "[ . 1 . 2]" 1
320 1 73 THR HA 1 74 GLY H 1.800 . 3.600 2.286 2.264 2.292 . 0 0 "[ . 1 . 2]" 1
321 1 74 GLY H 1 75 ILE H 1.800 . 5.300 4.501 4.452 4.522 . 0 0 "[ . 1 . 2]" 1
322 1 74 GLY HA2 1 75 ILE H 1.800 . 4.200 2.346 2.238 2.503 . 0 0 "[ . 1 . 2]" 1
323 1 74 GLY HA3 1 75 ILE H 1.800 . 4.200 2.813 2.624 2.964 . 0 0 "[ . 1 . 2]" 1
324 1 75 ILE H 1 76 ALA HA 1.800 . 5.900 4.772 4.466 4.883 . 0 0 "[ . 1 . 2]" 1
325 1 59 GLN H 1 75 ILE H 1.800 . 5.400 4.139 3.929 4.400 . 0 0 "[ . 1 . 2]" 1
326 1 75 ILE HA 1 76 ALA H 1.800 . 3.600 3.549 3.546 3.555 . 0 0 "[ . 1 . 2]" 1
327 1 75 ILE HB 1 76 ALA H 1.800 . 4.600 2.528 2.456 2.565 . 0 0 "[ . 1 . 2]" 1
328 1 75 ILE H 1 76 ALA H 1.800 . 4.900 2.158 2.072 2.247 . 0 0 "[ . 1 . 2]" 1
329 1 76 ALA H 1 77 SER H 1.800 . 5.900 4.460 4.220 4.504 . 0 0 "[ . 1 . 2]" 1
330 1 58 SER H 1 76 ALA H 1.800 . 6.100 6.100 5.850 6.201 0.101 20 0 "[ . 1 . 2]" 1
331 1 76 ALA HA 1 77 SER H 1.800 . 3.600 2.487 2.244 2.543 . 0 0 "[ . 1 . 2]" 1
332 1 77 SER H 1 78 GLY H 1.800 . 5.900 4.485 4.365 4.617 . 0 0 "[ . 1 . 2]" 1
333 1 77 SER H 1 98 ASN HA 1.800 . 5.300 5.328 5.240 5.399 0.099 8 0 "[ . 1 . 2]" 1
334 1 77 SER HA 1 97 VAL HB 1.800 . 5.900 2.746 1.999 4.694 . 0 0 "[ . 1 . 2]" 1
335 1 77 SER HA 1 78 GLY H 1.800 . 3.600 2.659 2.348 2.750 . 0 0 "[ . 1 . 2]" 1
336 1 78 GLY H 1 97 VAL HB 1.800 . 5.400 4.529 3.936 5.423 0.023 15 0 "[ . 1 . 2]" 1
337 1 78 GLY HA2 1 79 ASN H 1.800 . 4.900 2.779 2.381 3.569 . 0 0 "[ . 1 . 2]" 1
338 1 78 GLY HA3 1 79 ASN H 1.800 . 4.900 2.431 2.159 2.764 . 0 0 "[ . 1 . 2]" 1
339 1 80 PRO HA 1 81 THR H 1.800 . 3.500 2.292 2.151 2.450 . 0 0 "[ . 1 . 2]" 1
340 1 80 PRO HB2 1 81 THR H 1.800 . 4.600 3.688 2.522 4.280 . 0 0 "[ . 1 . 2]" 1
341 1 80 PRO HB3 1 81 THR H 1.800 . 4.600 4.141 3.407 4.574 . 0 0 "[ . 1 . 2]" 1
342 1 56 ASN H 1 81 THR H 1.800 . 5.400 4.536 4.027 4.975 . 0 0 "[ . 1 . 2]" 1
343 1 54 SER HA 1 81 THR H 1.800 . 5.900 4.787 4.114 5.349 . 0 0 "[ . 1 . 2]" 1
344 1 55 SER HA 1 81 THR H 1.800 . 6.200 5.706 4.801 6.205 0.005 15 0 "[ . 1 . 2]" 1
345 1 81 THR HA 1 94 ILE HA 1.800 . 5.900 3.075 2.597 3.603 . 0 0 "[ . 1 . 2]" 1
346 1 81 THR HA 1 82 ILE H 1.800 . 3.600 2.148 2.145 2.161 . 0 0 "[ . 1 . 2]" 1
347 1 81 THR HB 1 82 ILE H 1.800 . 4.500 3.883 3.598 4.215 . 0 0 "[ . 1 . 2]" 1
348 1 82 ILE H 1 94 ILE H 1.800 . 5.500 5.122 4.942 5.177 . 0 0 "[ . 1 . 2]" 1
349 1 82 ILE H 1 93 THR H 1.800 . 4.000 3.227 2.890 3.510 . 0 0 "[ . 1 . 2]" 1
350 1 82 ILE H 1 93 THR HA 1.800 . 5.600 5.018 4.757 5.150 . 0 0 "[ . 1 . 2]" 1
351 1 82 ILE HA 1 83 ILE H 1.800 . 3.600 2.149 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
352 1 54 SER HB2 1 83 ILE H 1.800 . 6.000 4.689 3.873 6.000 0.000 11 0 "[ . 1 . 2]" 1
353 1 54 SER HA 1 83 ILE H 1.800 . 5.000 3.268 2.795 3.687 . 0 0 "[ . 1 . 2]" 1
354 1 83 ILE HA 1 84 ALA H 1.800 . 3.600 2.173 2.144 2.232 . 0 0 "[ . 1 . 2]" 1
355 1 83 ILE HB 1 84 ALA H 1.800 . 4.500 4.080 3.809 4.234 . 0 0 "[ . 1 . 2]" 1
356 1 84 ALA H 1 85 THR H 1.800 . 5.900 4.392 4.178 4.468 . 0 0 "[ . 1 . 2]" 1
357 1 84 ALA H 1 90 SER HA 1.800 . 6.200 4.831 4.607 5.013 . 0 0 "[ . 1 . 2]" 1
358 1 84 ALA H 1 91 GLY H 1.800 . 4.000 2.922 2.691 3.168 . 0 0 "[ . 1 . 2]" 1
359 1 84 ALA H 1 92 ASN H 1.800 . 5.300 4.695 4.464 4.954 . 0 0 "[ . 1 . 2]" 1
360 1 84 ALA H 1 91 GLY HA3 1.800 . 4.600 4.032 3.793 4.392 . 0 0 "[ . 1 . 2]" 1
361 1 84 ALA HA 1 85 THR H 1.800 . 3.600 2.162 2.143 2.194 . 0 0 "[ . 1 . 2]" 1
362 1 51 THR HB 1 85 THR H 1.800 . 5.500 3.338 2.764 4.454 . 0 0 "[ . 1 . 2]" 1
363 1 51 THR HA 1 85 THR H 1.800 . 4.900 4.707 4.573 4.860 . 0 0 "[ . 1 . 2]" 1
364 1 52 TRP H 1 85 THR H 1.800 . 5.900 5.063 4.908 5.131 . 0 0 "[ . 1 . 2]" 1
365 1 52 TRP HA 1 85 THR H 1.800 . 5.300 3.936 3.772 4.074 . 0 0 "[ . 1 . 2]" 1
366 1 52 TRP HB3 1 85 THR H 1.800 . 6.500 6.419 6.102 6.553 0.053 6 0 "[ . 1 . 2]" 1
367 1 50 VAL HA 1 85 THR H 1.800 . 6.000 4.832 4.370 5.428 . 0 0 "[ . 1 . 2]" 1
368 1 85 THR HA 1 86 TYR H 1.800 . 3.600 2.143 2.142 2.148 . 0 0 "[ . 1 . 2]" 1
369 1 85 THR HB 1 86 TYR H 1.800 . 4.500 3.819 3.410 4.259 . 0 0 "[ . 1 . 2]" 1
370 1 86 TYR H 1 87 GLY H 1.800 . 5.900 3.846 3.777 3.943 . 0 0 "[ . 1 . 2]" 1
371 1 86 TYR H 1 89 VAL HB 1.800 . 4.900 4.888 4.704 5.012 0.112 18 0 "[ . 1 . 2]" 1
372 1 86 TYR H 1 90 SER H 1.800 . 5.600 5.064 4.974 5.163 . 0 0 "[ . 1 . 2]" 1
373 1 86 TYR H 1 89 VAL H 1.800 . 4.000 3.996 3.908 4.030 0.030 15 0 "[ . 1 . 2]" 1
374 1 86 TYR H 1 90 SER HA 1.800 . 4.900 3.147 2.967 3.331 . 0 0 "[ . 1 . 2]" 1
375 1 86 TYR HA 1 87 GLY H 1.800 . 3.600 2.160 2.144 2.174 . 0 0 "[ . 1 . 2]" 1
376 1 86 TYR HB2 1 87 GLY H 1.800 . 4.600 4.315 3.764 4.587 . 0 0 "[ . 1 . 2]" 1
377 1 86 TYR HB3 1 87 GLY H 1.800 . 4.600 4.294 4.223 4.386 . 0 0 "[ . 1 . 2]" 1
378 1 87 GLY HA3 1 88 SER H 1.800 . 4.600 2.141 2.136 2.147 . 0 0 "[ . 1 . 2]" 1
379 1 88 SER H 1 89 VAL H 1.800 . 5.000 2.303 2.175 2.412 . 0 0 "[ . 1 . 2]" 1
380 1 14 SER HA 1 88 SER HB2 1.800 . 5.900 4.640 4.278 5.779 . 0 0 "[ . 1 . 2]" 1
381 1 88 SER HB2 1 89 VAL H 1.800 . 4.600 3.808 3.565 4.131 . 0 0 "[ . 1 . 2]" 1
382 1 88 SER HB3 1 89 VAL H 1.800 . 4.600 4.154 3.697 4.594 . 0 0 "[ . 1 . 2]" 1
383 1 89 VAL H 1 90 SER H 1.800 . 5.500 4.449 4.433 4.481 . 0 0 "[ . 1 . 2]" 1
384 1 89 VAL H 1 90 SER HA 1.800 . 5.900 4.982 4.904 5.037 . 0 0 "[ . 1 . 2]" 1
385 1 86 TYR HA 1 89 VAL H 1.800 . 6.200 5.328 5.252 5.432 . 0 0 "[ . 1 . 2]" 1
386 1 87 GLY HA3 1 89 VAL H 1.800 . 5.100 3.334 3.299 3.393 . 0 0 "[ . 1 . 2]" 1
387 1 89 VAL HA 1 90 SER H 1.800 . 3.600 2.229 2.217 2.244 . 0 0 "[ . 1 . 2]" 1
388 1 89 VAL HB 1 90 SER H 1.800 . 4.400 3.895 3.707 3.974 . 0 0 "[ . 1 . 2]" 1
389 1 89 VAL QG 1 90 SER H 1.800 . 5.200 2.054 1.915 2.269 . 0 0 "[ . 1 . 2]" 1
390 1 90 SER H 1 91 GLY H 1.800 . 5.900 4.413 4.364 4.464 . 0 0 "[ . 1 . 2]" 1
391 1 15 ILE HB 1 90 SER HA 1.800 . 5.600 5.275 4.703 5.730 0.130 18 0 "[ . 1 . 2]" 1
392 1 85 THR HA 1 90 SER HA 1.800 . 5.600 2.901 2.792 3.096 . 0 0 "[ . 1 . 2]" 1
393 1 90 SER HA 1 91 GLY H 1.800 . 3.600 2.307 2.260 2.331 . 0 0 "[ . 1 . 2]" 1
394 1 91 GLY H 1 92 ASN H 1.800 . 5.900 4.442 4.343 4.506 . 0 0 "[ . 1 . 2]" 1
395 1 85 THR H 1 91 GLY H 1.800 . 5.600 4.819 4.621 5.037 . 0 0 "[ . 1 . 2]" 1
396 1 85 THR HA 1 91 GLY H 1.800 . 4.900 4.018 3.859 4.193 . 0 0 "[ . 1 . 2]" 1
397 1 91 GLY HA2 1 92 ASN H 1.800 . 4.400 2.545 2.354 2.715 . 0 0 "[ . 1 . 2]" 1
398 1 91 GLY HA3 1 92 ASN H 1.800 . 4.200 2.587 2.421 2.796 . 0 0 "[ . 1 . 2]" 1
399 1 92 ASN H 1 93 THR H 1.800 . 5.600 4.208 3.902 4.336 . 0 0 "[ . 1 . 2]" 1
400 1 19 PRO HA 1 92 ASN H 1.800 . 6.200 6.226 6.051 6.279 0.079 18 0 "[ . 1 . 2]" 1
401 1 93 THR H 1 94 ILE H 1.800 . 5.900 4.331 4.208 4.473 . 0 0 "[ . 1 . 2]" 1
402 1 81 THR HB 1 93 THR H 1.800 . 6.000 5.852 5.359 6.029 0.029 4 0 "[ . 1 . 2]" 1
403 1 82 ILE HB 1 93 THR H 1.800 . 4.900 3.188 2.293 4.917 0.017 17 0 "[ . 1 . 2]" 1
404 1 93 THR HA 1 94 ILE H 1.800 . 3.600 2.177 2.142 2.220 . 0 0 "[ . 1 . 2]" 1
405 1 94 ILE HA 1 95 LEU H 1.800 . 3.600 2.168 2.141 2.199 . 0 0 "[ . 1 . 2]" 1
406 1 94 ILE HB 1 95 LEU H 1.800 . 4.600 3.259 3.045 4.170 . 0 0 "[ . 1 . 2]" 1
407 1 95 LEU H 1 95 LEU QD 1.800 . 5.900 3.697 2.462 3.971 . 0 0 "[ . 1 . 2]" 1
408 1 95 LEU H 1 96 THR H 1.800 . 5.900 4.348 4.228 4.439 . 0 0 "[ . 1 . 2]" 1
409 1 94 ILE H 1 95 LEU H 1.800 . 5.900 4.442 4.346 4.555 . 0 0 "[ . 1 . 2]" 1
410 1 81 THR H 1 95 LEU H 1.800 . 5.900 5.660 4.871 5.944 0.044 8 0 "[ . 1 . 2]" 1
411 1 22 THR HB 1 95 LEU HA 1.800 . 6.200 5.185 5.006 5.350 . 0 0 "[ . 1 . 2]" 1
412 1 95 LEU HA 1 96 THR H 1.800 . 3.600 2.179 2.142 2.237 . 0 0 "[ . 1 . 2]" 1
413 1 95 LEU HB2 1 96 THR H 1.800 . 4.600 4.095 3.553 4.466 . 0 0 "[ . 1 . 2]" 1
414 1 95 LEU HB3 1 96 THR H 1.800 . 4.600 3.930 2.862 4.352 . 0 0 "[ . 1 . 2]" 1
415 1 95 LEU QD 1 96 THR H 1.800 . 5.500 2.525 1.982 3.937 . 0 0 "[ . 1 . 2]" 1
416 1 23 ASN HA 1 96 THR H 1.800 . 5.200 2.515 2.255 2.811 . 0 0 "[ . 1 . 2]" 1
417 1 22 THR HB 1 96 THR H 1.800 . 5.200 5.303 5.245 5.430 0.230 17 0 "[ . 1 . 2]" 1
418 1 24 ILE H 1 96 THR H 1.800 . 5.200 3.627 3.299 3.962 . 0 0 "[ . 1 . 2]" 1
419 1 96 THR HB 1 97 VAL H 1.800 . 4.500 4.307 4.160 4.402 . 0 0 "[ . 1 . 2]" 1
420 1 78 GLY H 1 97 VAL H 1.800 . 6.200 3.948 3.341 5.565 . 0 0 "[ . 1 . 2]" 1
421 1 97 VAL HB 1 98 ASN H 1.800 . 4.500 3.342 3.246 4.103 . 0 0 "[ . 1 . 2]" 1
422 1 24 ILE H 1 98 ASN HD22 1.800 . 5.500 4.935 4.283 5.505 0.005 15 0 "[ . 1 . 2]" 1
423 1 25 ASN HA 1 98 ASN HD22 1.800 . 5.500 5.340 3.335 5.522 0.022 7 0 "[ . 1 . 2]" 1
424 1 98 ASN HA 1 98 ASN HD22 1.800 . 5.500 4.420 4.147 4.986 . 0 0 "[ . 1 . 2]" 1
425 1 98 ASN HA 1 99 LYS H 1.800 . 3.600 2.614 2.145 3.028 . 0 0 "[ . 1 . 2]" 1
426 1 99 LYS HA 1 100 THR H 1.800 . 3.600 2.188 2.139 2.237 . 0 0 "[ . 1 . 2]" 1
427 1 100 THR HA 1 101 ASP H 1.800 . 3.600 3.310 2.145 3.570 . 0 0 "[ . 1 . 2]" 1
428 1 99 LYS H 1 101 ASP H 1.800 . 6.200 5.882 5.353 6.203 0.003 12 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 40
_Distance_constraint_stats_list.Viol_count 646
_Distance_constraint_stats_list.Viol_total 467.901
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0276
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0292
_Distance_constraint_stats_list.Viol_average_violations_only 0.0362
_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 16 SER 3.063 0.089 2 0 "[ . 1 . 2]"
1 18 SER 0.428 0.095 3 0 "[ . 1 . 2]"
1 30 LYS 3.825 0.155 13 0 "[ . 1 . 2]"
1 33 PHE 0.428 0.095 3 0 "[ . 1 . 2]"
1 35 VAL 3.063 0.089 2 0 "[ . 1 . 2]"
1 36 GLY 2.083 0.078 16 0 "[ . 1 . 2]"
1 38 TYR 0.397 0.109 2 0 "[ . 1 . 2]"
1 42 THR 0.397 0.109 2 0 "[ . 1 . 2]"
1 44 ALA 2.083 0.078 16 0 "[ . 1 . 2]"
1 51 THR 2.542 0.087 18 0 "[ . 1 . 2]"
1 53 SER 3.289 0.116 17 0 "[ . 1 . 2]"
1 61 LYS 1.397 0.116 3 0 "[ . 1 . 2]"
1 72 VAL 3.825 0.155 13 0 "[ . 1 . 2]"
1 73 THR 1.397 0.116 3 0 "[ . 1 . 2]"
1 82 ILE 2.929 0.128 2 0 "[ . 1 . 2]"
1 83 ILE 3.289 0.116 17 0 "[ . 1 . 2]"
1 84 ALA 3.443 0.131 16 0 "[ . 1 . 2]"
1 85 THR 2.542 0.087 18 0 "[ . 1 . 2]"
1 91 GLY 3.443 0.131 16 0 "[ . 1 . 2]"
1 93 THR 2.929 0.128 2 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 82 ILE O 1 93 THR H 2.000 . 2.000 2.024 1.999 2.053 0.053 2 0 "[ . 1 . 2]" 2
2 1 82 ILE O 1 93 THR N 3.000 3.000 3.000 2.953 2.872 2.990 0.128 2 0 "[ . 1 . 2]" 2
3 1 82 ILE H 1 93 THR O 2.000 . 2.000 2.056 2.027 2.088 0.088 20 0 "[ . 1 . 2]" 2
4 1 82 ILE N 1 93 THR O 3.000 3.000 3.000 2.989 2.934 3.023 0.066 6 0 "[ . 1 . 2]" 2
5 1 84 ALA O 1 91 GLY H 2.000 . 2.000 2.045 2.018 2.069 0.069 18 0 "[ . 1 . 2]" 2
6 1 84 ALA O 1 91 GLY N 3.000 3.000 3.000 2.914 2.869 2.952 0.131 16 0 "[ . 1 . 2]" 2
7 1 84 ALA H 1 91 GLY O 2.000 . 2.000 2.034 2.024 2.044 0.044 5 0 "[ . 1 . 2]" 2
8 1 84 ALA N 1 91 GLY O 3.000 3.000 3.000 3.003 2.985 3.018 0.018 18 0 "[ . 1 . 2]" 2
9 1 18 SER H 1 33 PHE O 2.000 . 2.800 2.252 2.033 2.507 . 0 0 "[ . 1 . 2]" 2
10 1 18 SER N 1 33 PHE O 3.000 3.000 3.800 3.213 2.981 3.476 0.019 7 0 "[ . 1 . 2]" 2
11 1 18 SER O 1 33 PHE H 2.000 . 2.800 2.802 2.614 2.895 0.095 3 0 "[ . 1 . 2]" 2
12 1 18 SER O 1 33 PHE N 3.000 3.000 3.800 3.644 3.418 3.763 . 0 0 "[ . 1 . 2]" 2
13 1 16 SER H 1 35 VAL O 2.000 . 2.000 2.016 1.988 2.040 0.040 13 0 "[ . 1 . 2]" 2
14 1 16 SER N 1 35 VAL O 3.000 3.000 3.000 2.953 2.911 2.985 0.089 2 0 "[ . 1 . 2]" 2
15 1 16 SER O 1 35 VAL H 2.000 . 2.000 2.059 2.038 2.088 0.088 19 0 "[ . 1 . 2]" 2
16 1 16 SER O 1 35 VAL N 3.000 3.000 3.000 2.976 2.913 3.026 0.087 20 0 "[ . 1 . 2]" 2
17 1 30 LYS H 1 72 VAL O 2.000 . 2.000 2.028 1.973 2.109 0.109 7 0 "[ . 1 . 2]" 2
18 1 30 LYS N 1 72 VAL O 3.000 3.000 3.000 2.955 2.898 3.085 0.102 11 0 "[ . 1 . 2]" 2
19 1 30 LYS O 1 72 VAL H 2.000 . 2.000 2.071 1.979 2.155 0.155 13 0 "[ . 1 . 2]" 2
20 1 30 LYS O 1 72 VAL N 3.000 3.000 3.000 2.989 2.891 3.074 0.109 7 0 "[ . 1 . 2]" 2
21 1 61 LYS O 1 73 THR H 2.000 . 2.800 2.159 1.976 2.330 0.024 3 0 "[ . 1 . 2]" 2
22 1 61 LYS O 1 73 THR N 3.000 3.000 3.800 2.996 2.918 3.209 0.082 3 0 "[ . 1 . 2]" 2
23 1 61 LYS H 1 73 THR O 2.000 . 2.800 2.829 2.575 2.916 0.116 3 0 "[ . 1 . 2]" 2
24 1 61 LYS N 1 73 THR O 3.000 3.000 3.800 3.529 3.268 3.752 . 0 0 "[ . 1 . 2]" 2
25 1 53 SER O 1 83 ILE H 2.000 . 2.000 2.037 2.009 2.057 0.057 10 0 "[ . 1 . 2]" 2
26 1 53 SER O 1 83 ILE N 3.000 3.000 3.000 2.966 2.932 3.004 0.068 10 0 "[ . 1 . 2]" 2
27 1 53 SER H 1 83 ILE O 2.000 . 2.000 2.054 2.031 2.116 0.116 17 0 "[ . 1 . 2]" 2
28 1 53 SER N 1 83 ILE O 3.000 3.000 3.000 2.966 2.908 3.028 0.092 18 0 "[ . 1 . 2]" 2
29 1 51 THR O 1 85 THR H 2.000 . 2.000 2.022 1.979 2.086 0.086 20 0 "[ . 1 . 2]" 2
30 1 51 THR O 1 85 THR N 3.000 3.000 3.000 2.964 2.932 3.025 0.068 5 0 "[ . 1 . 2]" 2
31 1 51 THR H 1 85 THR O 2.000 . 2.000 2.044 1.986 2.087 0.087 18 0 "[ . 1 . 2]" 2
32 1 51 THR N 1 85 THR O 3.000 3.000 3.000 3.004 2.945 3.046 0.055 20 0 "[ . 1 . 2]" 2
33 1 38 TYR H 1 42 THR O 2.000 . 2.500 2.223 2.106 2.334 . 0 0 "[ . 1 . 2]" 2
34 1 38 TYR N 1 42 THR O 3.000 3.000 3.500 2.993 2.971 3.002 0.029 3 0 "[ . 1 . 2]" 2
35 1 38 TYR O 1 42 THR H 2.000 . 2.500 2.495 2.371 2.609 0.109 2 0 "[ . 1 . 2]" 2
36 1 38 TYR O 1 42 THR N 3.000 3.000 3.500 3.434 3.328 3.515 0.015 2 0 "[ . 1 . 2]" 2
37 1 36 GLY O 1 44 ALA H 2.000 . 2.000 2.026 1.994 2.064 0.064 3 0 "[ . 1 . 2]" 2
38 1 36 GLY O 1 44 ALA N 3.000 3.000 3.000 2.990 2.965 3.011 0.035 1 0 "[ . 1 . 2]" 2
39 1 36 GLY H 1 44 ALA O 2.000 . 2.000 2.026 1.993 2.068 0.068 18 0 "[ . 1 . 2]" 2
40 1 36 GLY N 1 44 ALA O 3.000 3.000 3.000 2.962 2.922 2.982 0.078 16 0 "[ . 1 . 2]" 2
stop_
save_
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