NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
553507 |
2ltj   |
18484 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ltj
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 814
_Distance_constraint_stats_list.Viol_count 1190
_Distance_constraint_stats_list.Viol_total 1149.942
_Distance_constraint_stats_list.Viol_max 0.436
_Distance_constraint_stats_list.Viol_rms 0.0223
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0460
_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 35 ARG 0.013 0.005 12 0 "[ . 1 . 2 ]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 GLU 0.253 0.041 20 0 "[ . 1 . 2 ]"
1 38 LEU 0.968 0.079 2 0 "[ . 1 . 2 ]"
1 39 ILE 0.478 0.054 5 0 "[ . 1 . 2 ]"
1 40 THR 6.292 0.279 6 0 "[ . 1 . 2 ]"
1 41 ARG 1.978 0.106 2 0 "[ . 1 . 2 ]"
1 42 THR 4.997 0.183 15 0 "[ . 1 . 2 ]"
1 43 GLU 0.582 0.116 15 0 "[ . 1 . 2 ]"
1 44 GLU 2.346 0.150 6 0 "[ . 1 . 2 ]"
1 45 ILE 13.072 0.329 2 0 "[ . 1 . 2 ]"
1 46 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 PHE 1.324 0.050 2 0 "[ . 1 . 2 ]"
1 48 GLU 0.013 0.006 2 0 "[ . 1 . 2 ]"
1 49 VAL 0.977 0.105 2 0 "[ . 1 . 2 ]"
1 50 ILE 0.211 0.027 2 0 "[ . 1 . 2 ]"
1 51 LYS 0.027 0.015 2 0 "[ . 1 . 2 ]"
1 52 LYS 0.023 0.021 2 0 "[ . 1 . 2 ]"
1 53 GLU 0.000 0.000 11 0 "[ . 1 . 2 ]"
1 54 ASN 0.116 0.026 2 0 "[ . 1 . 2 ]"
1 55 PRO 0.016 0.005 12 0 "[ . 1 . 2 ]"
1 56 ASN 0.002 0.001 4 0 "[ . 1 . 2 ]"
1 57 LEU 0.076 0.008 9 0 "[ . 1 . 2 ]"
1 58 PRO 0.587 0.436 2 0 "[ . 1 . 2 ]"
1 59 ALA 0.589 0.436 2 0 "[ . 1 . 2 ]"
1 60 GLY 0.058 0.020 2 0 "[ . 1 . 2 ]"
1 61 GLN 0.043 0.008 10 0 "[ . 1 . 2 ]"
1 62 GLU 0.003 0.001 15 0 "[ . 1 . 2 ]"
1 63 ASN 0.119 0.017 2 0 "[ . 1 . 2 ]"
1 64 ILE 0.232 0.028 2 0 "[ . 1 . 2 ]"
1 65 ILE 0.166 0.028 2 0 "[ . 1 . 2 ]"
1 66 THR 0.030 0.019 2 0 "[ . 1 . 2 ]"
1 67 ALA 0.038 0.019 11 0 "[ . 1 . 2 ]"
1 68 GLY 1.056 0.105 2 0 "[ . 1 . 2 ]"
1 69 VAL 0.707 0.050 2 0 "[ . 1 . 2 ]"
1 70 LYS 0.001 0.001 17 0 "[ . 1 . 2 ]"
1 71 GLY 0.027 0.011 20 0 "[ . 1 . 2 ]"
1 72 GLU 7.100 0.269 3 0 "[ . 1 . 2 ]"
1 73 ARG 2.859 0.116 15 0 "[ . 1 . 2 ]"
1 74 THR 9.703 0.269 3 0 "[ . 1 . 2 ]"
1 75 HIS 13.311 0.329 2 0 "[ . 1 . 2 ]"
1 76 TYR 10.770 0.295 2 0 "[ . 1 . 2 ]"
1 77 ILE 1.537 0.176 2 0 "[ . 1 . 2 ]"
1 78 SER 0.218 0.016 8 0 "[ . 1 . 2 ]"
1 79 VAL 0.080 0.016 16 0 "[ . 1 . 2 ]"
1 80 LEU 0.050 0.004 20 0 "[ . 1 . 2 ]"
1 81 THR 0.003 0.002 1 0 "[ . 1 . 2 ]"
1 82 GLU 0.005 0.002 11 0 "[ . 1 . 2 ]"
1 83 ASN 0.009 0.004 11 0 "[ . 1 . 2 ]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 LYS 0.022 0.004 11 0 "[ . 1 . 2 ]"
1 86 THR 0.010 0.003 20 0 "[ . 1 . 2 ]"
1 87 THR 0.016 0.002 16 0 "[ . 1 . 2 ]"
1 88 GLU 0.011 0.004 20 0 "[ . 1 . 2 ]"
1 89 THR 0.057 0.006 3 0 "[ . 1 . 2 ]"
1 90 VAL 0.017 0.017 2 0 "[ . 1 . 2 ]"
1 91 LEU 0.165 0.040 2 0 "[ . 1 . 2 ]"
1 92 ASP 0.765 0.058 1 0 "[ . 1 . 2 ]"
1 93 SER 10.555 0.295 2 0 "[ . 1 . 2 ]"
1 94 GLN 2.008 0.080 19 0 "[ . 1 . 2 ]"
1 95 VAL 1.071 0.087 11 0 "[ . 1 . 2 ]"
1 96 THR 1.326 0.064 13 0 "[ . 1 . 2 ]"
1 97 LYS 6.711 0.315 2 0 "[ . 1 . 2 ]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 VAL 1.000 0.049 19 0 "[ . 1 . 2 ]"
1 100 ILE 1.634 0.102 20 0 "[ . 1 . 2 ]"
1 101 ASN 0.277 0.067 2 0 "[ . 1 . 2 ]"
1 102 GLN 0.315 0.029 4 0 "[ . 1 . 2 ]"
1 103 VAL 0.001 0.001 17 0 "[ . 1 . 2 ]"
1 104 VAL 0.025 0.019 2 0 "[ . 1 . 2 ]"
1 105 GLU 0.297 0.027 2 0 "[ . 1 . 2 ]"
1 106 VAL 0.023 0.008 10 0 "[ . 1 . 2 ]"
1 107 GLY 0.022 0.003 2 0 "[ . 1 . 2 ]"
1 108 ALA 0.125 0.026 2 0 "[ . 1 . 2 ]"
1 109 PRO 0.000 0.000 . 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 35 ARG QG 1 78 SER QB 3.000 . 5.000 4.269 1.993 5.005 0.005 12 0 "[ . 1 . 2 ]" 1
2 1 36 PRO QB 1 37 GLU H 3.000 . 5.000 2.573 1.938 3.129 . 0 0 "[ . 1 . 2 ]" 1
3 1 36 PRO QB 1 79 VAL H 4.300 . 6.000 4.407 2.313 5.892 . 0 0 "[ . 1 . 2 ]" 1
4 1 37 GLU H 1 38 LEU H 3.000 . 5.000 4.296 3.820 4.609 . 0 0 "[ . 1 . 2 ]" 1
5 1 37 GLU H 1 78 SER HA 3.000 . 5.000 4.947 4.081 5.016 0.016 8 0 "[ . 1 . 2 ]" 1
6 1 37 GLU H 1 78 SER QB 4.300 . 6.000 5.610 4.922 6.002 0.002 11 0 "[ . 1 . 2 ]" 1
7 1 37 GLU H 1 79 VAL H 3.000 . 5.000 3.951 3.276 4.576 . 0 0 "[ . 1 . 2 ]" 1
8 1 37 GLU HA 1 38 LEU H 2.200 . 3.000 2.249 2.129 2.605 . 0 0 "[ . 1 . 2 ]" 1
9 1 37 GLU HA 1 38 LEU QB 4.300 . 6.000 4.427 4.175 4.632 . 0 0 "[ . 1 . 2 ]" 1
10 1 37 GLU HA 1 39 ILE H 4.300 . 6.000 5.859 5.623 6.041 0.041 20 0 "[ . 1 . 2 ]" 1
11 1 37 GLU HA 1 79 VAL H 4.300 . 6.000 5.807 5.326 6.016 0.016 16 0 "[ . 1 . 2 ]" 1
12 1 37 GLU QB 1 38 LEU H 3.000 . 5.000 3.181 2.031 3.905 . 0 0 "[ . 1 . 2 ]" 1
13 1 37 GLU QG 1 38 LEU H 3.000 . 5.000 3.414 1.993 4.297 . 0 0 "[ . 1 . 2 ]" 1
14 1 37 GLU QG 1 39 ILE QG 3.000 . 5.000 4.016 2.408 4.998 . 0 0 "[ . 1 . 2 ]" 1
15 1 38 LEU H 1 39 ILE H 3.000 . 5.000 4.394 4.266 4.546 . 0 0 "[ . 1 . 2 ]" 1
16 1 38 LEU H 1 79 VAL H 4.300 . 6.000 5.902 5.419 6.008 0.008 4 0 "[ . 1 . 2 ]" 1
17 1 38 LEU HA 1 39 ILE H 3.000 . 3.000 2.134 2.118 2.152 . 0 0 "[ . 1 . 2 ]" 1
18 1 38 LEU QB 1 39 ILE H 3.000 . 5.000 3.315 2.987 3.532 . 0 0 "[ . 1 . 2 ]" 1
19 1 38 LEU QB 1 76 TYR QD 4.300 . 6.000 4.418 4.240 4.558 . 0 0 "[ . 1 . 2 ]" 1
20 1 38 LEU QB 1 76 TYR QE 4.300 . 6.000 6.036 6.011 6.079 0.079 2 0 "[ . 1 . 2 ]" 1
21 1 38 LEU QD 1 39 ILE H 3.000 . 5.000 3.931 2.784 4.501 . 0 0 "[ . 1 . 2 ]" 1
22 1 38 LEU QD 1 76 TYR QB 3.000 . 5.000 3.112 1.994 3.630 . 0 0 "[ . 1 . 2 ]" 1
23 1 38 LEU QD 1 76 TYR QD 3.000 . 5.000 3.571 3.148 3.884 . 0 0 "[ . 1 . 2 ]" 1
24 1 38 LEU QD 1 76 TYR QE 3.000 . 5.000 4.998 4.839 5.012 0.012 6 0 "[ . 1 . 2 ]" 1
25 1 38 LEU QD 1 78 SER QB 3.000 . 5.000 4.559 3.666 5.014 0.014 19 0 "[ . 1 . 2 ]" 1
26 1 39 ILE H 1 40 THR H 3.000 . 5.000 4.446 4.330 4.462 . 0 0 "[ . 1 . 2 ]" 1
27 1 39 ILE H 1 77 ILE H 3.000 . 5.000 3.519 3.096 4.023 . 0 0 "[ . 1 . 2 ]" 1
28 1 39 ILE H 1 77 ILE HB 3.000 . 5.000 4.342 3.453 5.005 0.005 17 0 "[ . 1 . 2 ]" 1
29 1 39 ILE H 1 77 ILE MD 4.300 . 6.000 4.822 4.347 5.258 . 0 0 "[ . 1 . 2 ]" 1
30 1 39 ILE H 1 77 ILE QG 4.300 . 6.000 4.595 3.582 5.003 . 0 0 "[ . 1 . 2 ]" 1
31 1 39 ILE H 1 78 SER QB 4.300 . 6.000 5.335 4.878 5.867 . 0 0 "[ . 1 . 2 ]" 1
32 1 39 ILE HB 1 40 THR H 4.300 . 6.000 2.450 1.929 3.783 . 0 0 "[ . 1 . 2 ]" 1
33 1 39 ILE MD 1 40 THR H 4.300 . 6.000 3.496 2.001 5.044 . 0 0 "[ . 1 . 2 ]" 1
34 1 39 ILE MD 1 40 THR HA 4.300 . 6.000 4.659 2.641 5.614 . 0 0 "[ . 1 . 2 ]" 1
35 1 39 ILE MD 1 41 ARG H 4.300 . 6.000 5.462 3.257 6.054 0.054 5 0 "[ . 1 . 2 ]" 1
36 1 39 ILE MD 1 77 ILE H 4.300 . 6.000 3.484 1.982 5.263 . 0 0 "[ . 1 . 2 ]" 1
37 1 39 ILE QG 1 40 THR H 3.000 . 5.000 2.626 1.764 3.584 0.036 17 0 "[ . 1 . 2 ]" 1
38 1 39 ILE HG12 1 40 THR H 3.000 . 5.000 4.258 1.927 5.018 0.018 2 0 "[ . 1 . 2 ]" 1
39 1 40 THR H 1 41 ARG H 3.000 . 5.000 4.233 3.963 4.519 . 0 0 "[ . 1 . 2 ]" 1
40 1 40 THR H 1 74 THR MG 4.300 . 6.000 4.733 4.458 4.867 . 0 0 "[ . 1 . 2 ]" 1
41 1 40 THR H 1 77 ILE H 4.300 . 6.000 4.095 3.949 4.434 . 0 0 "[ . 1 . 2 ]" 1
42 1 40 THR H 1 77 ILE HB 3.000 . 5.000 5.039 5.011 5.176 0.176 2 0 "[ . 1 . 2 ]" 1
43 1 40 THR HA 1 41 ARG H 3.000 . 5.000 2.176 2.075 2.332 . 0 0 "[ . 1 . 2 ]" 1
44 1 40 THR HA 1 74 THR HG1 4.300 . 6.000 2.986 2.635 3.313 . 0 0 "[ . 1 . 2 ]" 1
45 1 40 THR HA 1 74 THR MG 4.300 . 5.000 2.989 2.637 3.318 . 0 0 "[ . 1 . 2 ]" 1
46 1 40 THR HA 1 75 HIS HD1 4.300 . 6.000 6.220 6.149 6.279 0.279 6 0 "[ . 1 . 2 ]" 1
47 1 40 THR HA 1 76 TYR QB 4.300 . 6.000 3.706 3.534 4.162 . 0 0 "[ . 1 . 2 ]" 1
48 1 40 THR HA 1 76 TYR QD 3.000 . 5.000 2.867 2.396 3.335 . 0 0 "[ . 1 . 2 ]" 1
49 1 40 THR HA 1 76 TYR QE 4.300 . 6.000 4.898 4.380 5.406 . 0 0 "[ . 1 . 2 ]" 1
50 1 40 THR HA 1 77 ILE H 3.000 . 5.000 3.149 2.723 3.497 . 0 0 "[ . 1 . 2 ]" 1
51 1 40 THR HA 1 77 ILE HB 4.300 . 6.000 5.103 4.422 5.604 . 0 0 "[ . 1 . 2 ]" 1
52 1 40 THR HA 1 77 ILE MD 4.300 . 6.000 3.208 2.511 4.567 . 0 0 "[ . 1 . 2 ]" 1
53 1 40 THR HB 1 41 ARG H 3.000 . 5.000 3.034 2.526 3.557 . 0 0 "[ . 1 . 2 ]" 1
54 1 40 THR HB 1 77 ILE H 4.300 . 6.000 5.779 5.400 6.073 0.073 3 0 "[ . 1 . 2 ]" 1
55 1 40 THR HG1 1 41 ARG H 3.000 . 5.000 3.359 3.091 3.649 . 0 0 "[ . 1 . 2 ]" 1
56 1 40 THR HG1 1 74 THR MG 3.000 . 5.000 1.804 1.722 1.901 0.078 11 0 "[ . 1 . 2 ]" 1
57 1 40 THR HG1 1 76 TYR QD 3.000 . 5.000 1.938 1.834 2.047 . 0 0 "[ . 1 . 2 ]" 1
58 1 40 THR HG1 1 76 TYR QE 3.000 . 5.000 2.873 2.664 2.959 . 0 0 "[ . 1 . 2 ]" 1
59 1 40 THR HG1 1 77 ILE H 3.000 . 5.000 4.068 3.621 4.488 . 0 0 "[ . 1 . 2 ]" 1
60 1 40 THR MG 1 41 ARG H 3.000 . 5.000 3.434 3.167 3.734 . 0 0 "[ . 1 . 2 ]" 1
61 1 40 THR MG 1 76 TYR QD 2.200 . 3.000 1.939 1.835 2.049 . 0 0 "[ . 1 . 2 ]" 1
62 1 40 THR MG 1 76 TYR QE 2.200 . 3.000 2.877 2.667 2.963 . 0 0 "[ . 1 . 2 ]" 1
63 1 41 ARG H 1 74 THR HA 3.000 . 5.000 3.809 3.644 4.068 . 0 0 "[ . 1 . 2 ]" 1
64 1 41 ARG H 1 74 THR HB 3.000 . 5.000 5.058 5.033 5.106 0.106 2 0 "[ . 1 . 2 ]" 1
65 1 41 ARG H 1 74 THR MG 3.000 . 5.000 2.425 2.327 2.548 . 0 0 "[ . 1 . 2 ]" 1
66 1 41 ARG H 1 75 HIS H 3.000 . 5.000 2.229 1.936 2.456 . 0 0 "[ . 1 . 2 ]" 1
67 1 41 ARG H 1 75 HIS QB 4.300 . 5.000 3.317 3.187 3.494 . 0 0 "[ . 1 . 2 ]" 1
68 1 41 ARG H 1 75 HIS HD1 4.300 . 6.000 5.041 4.882 5.183 . 0 0 "[ . 1 . 2 ]" 1
69 1 41 ARG H 1 77 ILE MD 3.000 . 5.000 3.207 2.997 4.076 . 0 0 "[ . 1 . 2 ]" 1
70 1 41 ARG H 1 77 ILE HG12 4.300 . 6.000 6.019 5.964 6.036 0.036 18 0 "[ . 1 . 2 ]" 1
71 1 41 ARG H 1 77 ILE QG 4.300 . 6.000 5.022 4.164 5.285 . 0 0 "[ . 1 . 2 ]" 1
72 1 41 ARG HA 1 42 THR H 2.200 . 3.000 2.251 2.150 3.010 0.010 20 0 "[ . 1 . 2 ]" 1
73 1 41 ARG QB 1 42 THR H 3.000 . 5.000 3.578 2.067 3.964 . 0 0 "[ . 1 . 2 ]" 1
74 1 41 ARG QB 1 75 HIS HD1 4.300 . 6.000 5.374 4.701 5.995 . 0 0 "[ . 1 . 2 ]" 1
75 1 41 ARG QB 1 77 ILE MD 3.000 . 5.000 2.526 2.137 3.498 . 0 0 "[ . 1 . 2 ]" 1
76 1 41 ARG QD 1 42 THR H 4.300 . 6.000 4.680 2.731 5.963 . 0 0 "[ . 1 . 2 ]" 1
77 1 41 ARG QD 1 77 ILE MD 3.000 . 5.000 3.402 1.912 5.000 . 13 0 "[ . 1 . 2 ]" 1
78 1 41 ARG QG 1 75 HIS QB 4.300 . 6.000 4.065 2.634 4.522 . 0 0 "[ . 1 . 2 ]" 1
79 1 41 ARG QG 1 75 HIS HD1 4.300 . 6.000 5.796 4.803 6.021 0.021 3 0 "[ . 1 . 2 ]" 1
80 1 42 THR H 1 43 GLU H 3.000 . 5.000 4.468 4.171 4.538 . 0 0 "[ . 1 . 2 ]" 1
81 1 42 THR H 1 74 THR MG 4.300 . 6.000 3.583 3.118 4.702 . 0 0 "[ . 1 . 2 ]" 1
82 1 42 THR H 1 77 ILE MD 4.300 . 6.000 5.627 4.640 6.025 0.025 2 0 "[ . 1 . 2 ]" 1
83 1 42 THR HA 1 43 GLU H 3.000 . 3.000 2.066 2.037 2.152 . 0 0 "[ . 1 . 2 ]" 1
84 1 42 THR HA 1 43 GLU QB 4.300 . 6.000 4.402 3.842 4.649 . 0 0 "[ . 1 . 2 ]" 1
85 1 42 THR HA 1 43 GLU QG 4.300 . 6.000 3.766 3.117 5.741 . 0 0 "[ . 1 . 2 ]" 1
86 1 42 THR HA 1 44 GLU H 4.300 . 6.000 6.106 6.046 6.150 0.150 6 0 "[ . 1 . 2 ]" 1
87 1 42 THR HA 1 73 ARG H 3.000 . 5.000 4.129 3.703 4.646 . 0 0 "[ . 1 . 2 ]" 1
88 1 42 THR HA 1 74 THR HA 4.300 . 5.000 1.943 1.813 2.075 . 0 0 "[ . 1 . 2 ]" 1
89 1 42 THR HA 1 74 THR HB 3.000 . 5.000 4.932 4.777 5.069 0.069 20 0 "[ . 1 . 2 ]" 1
90 1 42 THR HA 1 74 THR MG 3.000 . 5.000 3.771 3.647 3.935 . 0 0 "[ . 1 . 2 ]" 1
91 1 42 THR HA 1 75 HIS HD1 2.200 . 3.000 3.120 3.094 3.183 0.183 15 0 "[ . 1 . 2 ]" 1
92 1 42 THR HB 1 43 GLU H 3.000 . 5.000 3.817 3.015 4.261 . 0 0 "[ . 1 . 2 ]" 1
93 1 42 THR HB 1 72 GLU QG 3.000 . 5.000 3.452 1.986 4.769 . 0 0 "[ . 1 . 2 ]" 1
94 1 42 THR HB 1 74 THR MG 4.300 . 6.000 3.793 2.811 5.088 . 0 0 "[ . 1 . 2 ]" 1
95 1 42 THR HG1 1 43 GLU H 3.000 . 5.000 3.262 2.361 3.943 . 0 0 "[ . 1 . 2 ]" 1
96 1 42 THR HG1 1 72 GLU QG 3.000 . 5.000 2.344 1.799 3.584 0.001 7 0 "[ . 1 . 2 ]" 1
97 1 42 THR HG1 1 74 THR HA 4.300 . 6.000 2.750 1.911 3.314 . 0 0 "[ . 1 . 2 ]" 1
98 1 42 THR HG1 1 74 THR HB 3.000 . 5.000 4.445 3.321 5.034 0.034 18 0 "[ . 1 . 2 ]" 1
99 1 42 THR HG1 1 74 THR MG 3.000 . 5.000 3.316 2.296 3.879 . 0 0 "[ . 1 . 2 ]" 1
100 1 42 THR MG 1 72 GLU QG 3.000 . 5.000 2.781 1.843 4.122 . 0 0 "[ . 1 . 2 ]" 1
101 1 42 THR MG 1 74 THR HA 3.000 . 5.000 3.131 1.914 3.912 . 0 0 "[ . 1 . 2 ]" 1
102 1 42 THR MG 1 74 THR HG1 3.000 . 5.000 3.172 1.948 4.199 . 0 0 "[ . 1 . 2 ]" 1
103 1 43 GLU H 1 44 GLU H 3.000 . 5.000 4.501 4.427 4.518 . 0 0 "[ . 1 . 2 ]" 1
104 1 43 GLU H 1 72 GLU HA 3.000 . 5.000 4.780 4.400 5.014 0.014 17 0 "[ . 1 . 2 ]" 1
105 1 43 GLU H 1 72 GLU QG 4.300 . 5.000 4.117 3.391 4.872 . 0 0 "[ . 1 . 2 ]" 1
106 1 43 GLU H 1 73 ARG H 3.000 . 5.000 3.383 3.179 3.614 . 0 0 "[ . 1 . 2 ]" 1
107 1 43 GLU H 1 73 ARG QB 3.000 . 5.000 4.163 3.661 4.718 . 0 0 "[ . 1 . 2 ]" 1
108 1 43 GLU H 1 73 ARG QG 4.300 . 6.000 4.314 3.114 5.195 . 0 0 "[ . 1 . 2 ]" 1
109 1 43 GLU H 1 74 THR HA 3.000 . 5.000 3.771 3.581 3.900 . 0 0 "[ . 1 . 2 ]" 1
110 1 43 GLU H 1 74 THR MG 4.300 . 6.000 5.416 5.307 5.506 . 0 0 "[ . 1 . 2 ]" 1
111 1 43 GLU H 1 75 HIS HD1 4.300 . 6.000 2.837 2.208 3.242 . 0 0 "[ . 1 . 2 ]" 1
112 1 43 GLU HA 1 44 GLU H 2.200 . 3.000 2.206 2.160 2.240 . 0 0 "[ . 1 . 2 ]" 1
113 1 43 GLU QB 1 44 GLU H 3.000 . 5.000 2.997 2.714 3.706 . 0 0 "[ . 1 . 2 ]" 1
114 1 43 GLU QB 1 73 ARG QB 3.000 . 5.000 4.665 3.889 5.025 0.025 18 0 "[ . 1 . 2 ]" 1
115 1 43 GLU QB 1 75 HIS HD1 4.300 . 6.000 3.766 2.158 4.642 . 0 0 "[ . 1 . 2 ]" 1
116 1 43 GLU QG 1 45 ILE MD 3.000 . 5.000 3.227 1.970 3.829 . 0 0 "[ . 1 . 2 ]" 1
117 1 43 GLU QG 1 73 ARG H 4.300 . 6.000 4.604 3.562 4.962 . 0 0 "[ . 1 . 2 ]" 1
118 1 43 GLU QG 1 73 ARG QB 3.000 . 5.000 4.400 3.111 5.116 0.116 15 0 "[ . 1 . 2 ]" 1
119 1 43 GLU QG 1 73 ARG QG 3.000 . 5.000 4.348 3.206 5.008 0.008 2 0 "[ . 1 . 2 ]" 1
120 1 43 GLU QG 1 75 HIS HD1 4.300 . 6.000 2.866 1.940 4.072 . 0 0 "[ . 1 . 2 ]" 1
121 1 44 GLU H 1 45 ILE H 4.300 . 5.000 4.208 4.136 4.336 . 0 0 "[ . 1 . 2 ]" 1
122 1 44 GLU H 1 72 GLU HA 4.300 . 6.000 5.746 5.383 6.012 0.012 5 0 "[ . 1 . 2 ]" 1
123 1 44 GLU H 1 73 ARG H 4.300 . 6.000 5.956 5.870 6.018 0.018 17 0 "[ . 1 . 2 ]" 1
124 1 44 GLU HA 1 45 ILE H 3.000 . 5.000 2.201 2.154 2.233 . 0 0 "[ . 1 . 2 ]" 1
125 1 44 GLU QB 1 45 ILE H 4.300 . 6.000 3.771 3.599 3.992 . 0 0 "[ . 1 . 2 ]" 1
126 1 44 GLU QG 1 45 ILE H 4.300 . 6.000 4.205 3.559 4.984 . 0 0 "[ . 1 . 2 ]" 1
127 1 45 ILE H 1 46 PRO QD 4.300 . 6.000 3.882 3.552 4.109 . 0 0 "[ . 1 . 2 ]" 1
128 1 45 ILE H 1 71 GLY H 3.000 . 5.000 4.877 4.598 5.011 0.011 20 0 "[ . 1 . 2 ]" 1
129 1 45 ILE H 1 72 GLU H 4.300 . 6.000 4.913 4.673 5.103 . 0 0 "[ . 1 . 2 ]" 1
130 1 45 ILE H 1 72 GLU HA 3.000 . 5.000 2.736 2.529 2.944 . 0 0 "[ . 1 . 2 ]" 1
131 1 45 ILE H 1 73 ARG H 3.000 . 5.000 3.886 3.539 4.303 . 0 0 "[ . 1 . 2 ]" 1
132 1 45 ILE HA 1 46 PRO QD 4.300 . 5.000 1.981 1.846 2.047 . 0 0 "[ . 1 . 2 ]" 1
133 1 45 ILE HB 1 71 GLY H 3.000 . 5.000 4.084 3.652 4.405 . 0 0 "[ . 1 . 2 ]" 1
134 1 45 ILE HB 1 71 GLY QA 4.300 . 6.000 4.082 3.628 4.273 . 0 0 "[ . 1 . 2 ]" 1
135 1 45 ILE HB 1 72 GLU H 4.300 . 6.000 4.014 3.826 4.197 . 0 0 "[ . 1 . 2 ]" 1
136 1 45 ILE MD 1 71 GLY H 4.300 . 6.000 5.304 4.821 5.644 . 0 0 "[ . 1 . 2 ]" 1
137 1 45 ILE MD 1 71 GLY QA 3.000 . 5.000 4.560 4.213 4.822 . 0 0 "[ . 1 . 2 ]" 1
138 1 45 ILE MD 1 72 GLU H 3.000 . 5.000 3.709 3.421 3.964 . 0 0 "[ . 1 . 2 ]" 1
139 1 45 ILE MD 1 73 ARG H 4.300 . 6.000 1.766 1.721 1.823 0.079 11 0 "[ . 1 . 2 ]" 1
140 1 45 ILE MD 1 73 ARG HA 4.300 . 6.000 3.402 3.255 3.641 . 0 0 "[ . 1 . 2 ]" 1
141 1 45 ILE MD 1 73 ARG QB 3.000 . 5.000 1.735 1.685 1.788 0.115 2 0 "[ . 1 . 2 ]" 1
142 1 45 ILE MD 1 73 ARG QD 3.000 . 5.000 3.105 1.841 3.792 . 0 0 "[ . 1 . 2 ]" 1
143 1 45 ILE MD 1 75 HIS QB 3.000 . 5.000 5.260 5.208 5.329 0.329 2 0 "[ . 1 . 2 ]" 1
144 1 45 ILE MD 1 97 LYS H 4.300 . 6.000 6.260 6.208 6.315 0.315 2 0 "[ . 1 . 2 ]" 1
145 1 45 ILE MD 1 99 VAL H 4.300 . 6.000 4.953 4.456 5.349 . 0 0 "[ . 1 . 2 ]" 1
146 1 45 ILE QG 1 46 PRO QD 3.000 . 5.000 2.866 2.545 3.154 . 0 0 "[ . 1 . 2 ]" 1
147 1 45 ILE QG 1 47 PHE H 4.300 . 6.000 5.042 4.891 5.227 . 0 0 "[ . 1 . 2 ]" 1
148 1 45 ILE QG 1 71 GLY H 3.000 . 5.000 4.033 3.841 4.242 . 0 0 "[ . 1 . 2 ]" 1
149 1 45 ILE QG 1 71 GLY QA 4.300 . 6.000 4.349 3.945 4.458 . 0 0 "[ . 1 . 2 ]" 1
150 1 45 ILE QG 1 72 GLU H 4.300 . 6.000 4.617 4.437 4.757 . 0 0 "[ . 1 . 2 ]" 1
151 1 45 ILE QG 1 73 ARG H 4.300 . 6.000 3.498 3.209 3.715 . 0 0 "[ . 1 . 2 ]" 1
152 1 45 ILE QG 1 99 VAL H 4.300 . 6.000 3.971 3.488 4.297 . 0 0 "[ . 1 . 2 ]" 1
153 1 45 ILE HG12 1 73 ARG H 4.300 . 6.000 4.358 4.278 4.453 . 0 0 "[ . 1 . 2 ]" 1
154 1 45 ILE MG 1 46 PRO QD 3.000 . 5.000 2.969 2.585 3.334 . 0 0 "[ . 1 . 2 ]" 1
155 1 45 ILE MG 1 46 PRO QG 3.000 . 5.000 4.305 4.088 4.609 . 0 0 "[ . 1 . 2 ]" 1
156 1 45 ILE MG 1 71 GLY H 3.000 . 5.000 4.099 3.894 4.333 . 0 0 "[ . 1 . 2 ]" 1
157 1 45 ILE MG 1 71 GLY QA 3.000 . 5.000 4.492 4.048 4.606 . 0 0 "[ . 1 . 2 ]" 1
158 1 46 PRO HA 1 47 PHE H 3.000 . 3.000 2.280 2.178 2.349 . 0 0 "[ . 1 . 2 ]" 1
159 1 46 PRO HA 1 47 PHE QD 3.000 . 5.000 3.726 3.499 3.993 . 0 0 "[ . 1 . 2 ]" 1
160 1 46 PRO HA 1 47 PHE QE 4.300 . 6.000 5.305 5.069 5.613 . 0 0 "[ . 1 . 2 ]" 1
161 1 46 PRO HA 1 70 LYS HA 3.000 . 5.000 2.475 2.070 2.875 . 0 0 "[ . 1 . 2 ]" 1
162 1 46 PRO HA 1 70 LYS QG 3.000 . 5.000 2.655 1.949 4.312 . 0 0 "[ . 1 . 2 ]" 1
163 1 46 PRO QB 1 47 PHE H 3.000 . 5.000 2.778 2.612 2.994 . 0 0 "[ . 1 . 2 ]" 1
164 1 46 PRO QG 1 47 PHE H 4.300 . 6.000 4.320 4.155 4.662 . 0 0 "[ . 1 . 2 ]" 1
165 1 47 PHE H 1 48 GLU H 3.000 . 5.000 4.475 4.453 4.533 . 0 0 "[ . 1 . 2 ]" 1
166 1 47 PHE H 1 70 LYS HA 3.000 . 5.000 2.727 2.450 3.027 . 0 0 "[ . 1 . 2 ]" 1
167 1 47 PHE H 1 71 GLY H 3.000 . 5.000 4.287 4.034 4.590 . 0 0 "[ . 1 . 2 ]" 1
168 1 47 PHE H 1 99 VAL HB 3.000 . 5.000 5.024 4.986 5.049 0.049 19 0 "[ . 1 . 2 ]" 1
169 1 47 PHE H 1 99 VAL MG1 3.000 . 5.000 4.645 4.614 4.693 . 0 0 "[ . 1 . 2 ]" 1
170 1 47 PHE H 1 99 VAL QG 3.000 . 5.000 2.535 2.477 2.686 . 0 0 "[ . 1 . 2 ]" 1
171 1 47 PHE H 1 99 VAL MG2 3.000 . 5.000 2.546 2.487 2.702 . 0 0 "[ . 1 . 2 ]" 1
172 1 47 PHE H 1 100 ILE H 4.300 . 6.000 6.001 5.874 6.021 0.021 2 0 "[ . 1 . 2 ]" 1
173 1 47 PHE HA 1 48 GLU H 2.200 . 3.000 2.632 2.519 2.662 . 0 0 "[ . 1 . 2 ]" 1
174 1 47 PHE HA 1 99 VAL QG 3.000 . 5.000 1.871 1.793 1.904 0.007 2 0 "[ . 1 . 2 ]" 1
175 1 47 PHE QB 1 48 GLU H 4.300 . 5.000 2.042 1.974 2.189 . 0 0 "[ . 1 . 2 ]" 1
176 1 47 PHE QB 1 99 VAL MG1 4.300 . 6.000 3.481 3.372 3.721 . 0 0 "[ . 1 . 2 ]" 1
177 1 47 PHE QB 1 99 VAL QG 3.000 . 5.000 1.814 1.786 1.885 0.014 3 0 "[ . 1 . 2 ]" 1
178 1 47 PHE QB 1 102 GLN H 4.300 . 6.000 3.251 2.815 3.754 . 0 0 "[ . 1 . 2 ]" 1
179 1 47 PHE QD 1 49 VAL H 4.300 . 6.000 3.063 2.727 3.383 . 0 0 "[ . 1 . 2 ]" 1
180 1 47 PHE QD 1 68 GLY QA 3.000 . 5.000 2.707 2.447 2.966 . 0 0 "[ . 1 . 2 ]" 1
181 1 47 PHE QD 1 69 VAL HA 2.200 . 3.000 3.006 2.827 3.050 0.050 2 0 "[ . 1 . 2 ]" 1
182 1 47 PHE QD 1 70 LYS H 3.000 . 5.000 2.614 2.438 2.831 . 0 0 "[ . 1 . 2 ]" 1
183 1 47 PHE QD 1 70 LYS HA 2.200 . 3.000 2.561 2.410 2.773 . 0 0 "[ . 1 . 2 ]" 1
184 1 47 PHE QD 1 70 LYS QD 3.000 . 5.000 3.858 2.105 4.822 . 0 0 "[ . 1 . 2 ]" 1
185 1 47 PHE QD 1 70 LYS QE 4.300 . 6.000 4.213 2.796 5.369 . 0 0 "[ . 1 . 2 ]" 1
186 1 47 PHE QD 1 70 LYS QG 3.000 . 5.000 2.813 2.107 4.418 . 0 0 "[ . 1 . 2 ]" 1
187 1 47 PHE QD 1 99 VAL HA 4.300 . 6.000 5.199 4.968 5.521 . 0 0 "[ . 1 . 2 ]" 1
188 1 47 PHE QD 1 102 GLN H 3.000 . 5.000 2.464 2.119 2.872 . 0 0 "[ . 1 . 2 ]" 1
189 1 47 PHE QD 1 102 GLN HA 3.000 . 5.000 4.863 4.483 5.013 0.013 7 0 "[ . 1 . 2 ]" 1
190 1 47 PHE QD 1 102 GLN QB 3.000 . 5.000 3.071 2.688 3.332 . 0 0 "[ . 1 . 2 ]" 1
191 1 47 PHE QD 1 102 GLN QG 3.000 . 5.000 4.928 4.072 5.029 0.029 4 0 "[ . 1 . 2 ]" 1
192 1 47 PHE QE 1 68 GLY QA 3.000 . 5.000 2.812 2.512 3.111 . 0 0 "[ . 1 . 2 ]" 1
193 1 47 PHE QE 1 69 VAL HA 2.200 . 3.000 2.707 2.483 3.008 0.008 12 0 "[ . 1 . 2 ]" 1
194 1 47 PHE QE 1 70 LYS HA 3.000 . 5.000 4.479 4.342 4.803 . 0 0 "[ . 1 . 2 ]" 1
195 1 47 PHE QE 1 70 LYS QD 3.000 . 5.000 3.550 1.987 4.718 . 0 0 "[ . 1 . 2 ]" 1
196 1 47 PHE QE 1 70 LYS QE 3.000 . 5.000 3.421 2.414 4.458 . 0 0 "[ . 1 . 2 ]" 1
197 1 47 PHE QE 1 70 LYS QG 4.300 . 6.000 3.142 2.246 5.510 . 0 0 "[ . 1 . 2 ]" 1
198 1 47 PHE QE 1 102 GLN H 4.300 . 6.000 3.705 2.833 4.323 . 0 0 "[ . 1 . 2 ]" 1
199 1 47 PHE QE 1 102 GLN HA 4.300 . 6.000 4.990 4.558 5.444 . 0 0 "[ . 1 . 2 ]" 1
200 1 47 PHE QE 1 102 GLN QB 3.000 . 5.000 2.545 2.045 3.305 . 0 0 "[ . 1 . 2 ]" 1
201 1 47 PHE QE 1 102 GLN QG 4.300 . 5.000 3.963 2.986 4.495 . 0 0 "[ . 1 . 2 ]" 1
202 1 47 PHE HZ 1 68 GLY QA 4.300 . 6.000 3.682 3.251 4.221 . 0 0 "[ . 1 . 2 ]" 1
203 1 47 PHE HZ 1 69 VAL HA 4.300 . 6.000 4.434 3.879 4.940 . 0 0 "[ . 1 . 2 ]" 1
204 1 47 PHE HZ 1 70 LYS H 4.300 . 6.000 5.305 5.047 5.756 . 0 0 "[ . 1 . 2 ]" 1
205 1 47 PHE HZ 1 70 LYS QE 4.300 . 6.000 4.972 3.928 6.001 0.001 17 0 "[ . 1 . 2 ]" 1
206 1 47 PHE HZ 1 102 GLN QB 4.300 . 6.000 4.168 3.479 5.235 . 0 0 "[ . 1 . 2 ]" 1
207 1 47 PHE HZ 1 102 GLN QG 4.300 . 6.000 5.103 3.927 6.002 0.002 10 0 "[ . 1 . 2 ]" 1
208 1 48 GLU H 1 49 VAL H 3.000 . 5.000 3.923 3.781 4.053 . 0 0 "[ . 1 . 2 ]" 1
209 1 48 GLU H 1 50 ILE MD 4.300 . 5.000 4.660 4.088 5.006 0.006 2 0 "[ . 1 . 2 ]" 1
210 1 48 GLU H 1 99 VAL MG1 3.000 . 5.000 4.719 4.628 4.750 . 0 0 "[ . 1 . 2 ]" 1
211 1 48 GLU H 1 101 ASN QB 4.300 . 6.000 3.734 3.233 4.031 . 0 0 "[ . 1 . 2 ]" 1
212 1 48 GLU QB 1 49 VAL H 3.000 . 5.000 3.690 3.310 3.918 . 0 0 "[ . 1 . 2 ]" 1
213 1 48 GLU QB 1 101 ASN QD 4.300 . 6.000 3.292 2.136 4.718 . 0 0 "[ . 1 . 2 ]" 1
214 1 48 GLU QB 1 101 ASN HD22 4.300 . 6.000 3.531 2.411 4.970 . 0 0 "[ . 1 . 2 ]" 1
215 1 49 VAL H 1 50 ILE H 3.000 . 5.000 4.614 4.512 4.632 . 0 0 "[ . 1 . 2 ]" 1
216 1 49 VAL H 1 68 GLY QA 3.000 . 5.000 5.047 5.016 5.105 0.105 2 0 "[ . 1 . 2 ]" 1
217 1 49 VAL HA 1 50 ILE H 3.000 . 5.000 2.246 2.142 2.306 . 0 0 "[ . 1 . 2 ]" 1
218 1 49 VAL HA 1 102 GLN H 3.000 . 5.000 2.919 2.321 3.223 . 0 0 "[ . 1 . 2 ]" 1
219 1 49 VAL QG 1 50 ILE H 3.000 . 5.000 2.123 1.942 2.698 . 0 0 "[ . 1 . 2 ]" 1
220 1 49 VAL MG1 1 50 ILE H 3.000 . 5.000 2.743 1.947 4.024 . 0 0 "[ . 1 . 2 ]" 1
221 1 49 VAL MG1 1 102 GLN H 4.300 . 6.000 4.460 3.886 5.216 . 0 0 "[ . 1 . 2 ]" 1
222 1 49 VAL MG2 1 102 GLN H 3.000 . 5.000 3.558 2.832 4.376 . 0 0 "[ . 1 . 2 ]" 1
223 1 50 ILE H 1 51 LYS H 3.000 . 5.000 4.476 4.414 4.538 . 0 0 "[ . 1 . 2 ]" 1
224 1 50 ILE H 1 101 ASN QB 4.300 . 6.000 4.979 4.536 5.462 . 0 0 "[ . 1 . 2 ]" 1
225 1 50 ILE H 1 102 GLN H 3.000 . 5.000 4.693 3.965 5.001 0.001 21 0 "[ . 1 . 2 ]" 1
226 1 50 ILE H 1 103 VAL H 4.300 . 6.000 5.443 4.773 5.948 . 0 0 "[ . 1 . 2 ]" 1
227 1 50 ILE H 1 103 VAL HA 3.000 . 5.000 3.886 3.067 4.439 . 0 0 "[ . 1 . 2 ]" 1
228 1 50 ILE H 1 103 VAL QG 4.300 . 6.000 4.640 3.891 5.169 . 0 0 "[ . 1 . 2 ]" 1
229 1 50 ILE H 1 104 VAL H 3.000 . 5.000 3.748 3.340 4.364 . 0 0 "[ . 1 . 2 ]" 1
230 1 50 ILE HA 1 51 LYS H 2.200 . 3.000 2.321 2.198 2.330 . 0 0 "[ . 1 . 2 ]" 1
231 1 50 ILE HA 1 51 LYS HA 4.300 . 6.000 4.407 4.379 4.445 . 0 0 "[ . 1 . 2 ]" 1
232 1 50 ILE HA 1 51 LYS QB 3.000 . 5.000 4.297 3.897 4.517 . 0 0 "[ . 1 . 2 ]" 1
233 1 50 ILE HA 1 51 LYS QD 4.300 . 6.000 4.786 2.761 5.958 . 0 0 "[ . 1 . 2 ]" 1
234 1 50 ILE HB 1 51 LYS H 4.300 . 6.000 3.648 3.569 3.910 . 0 0 "[ . 1 . 2 ]" 1
235 1 50 ILE HB 1 103 VAL HA 4.300 . 6.000 4.046 2.913 4.708 . 0 0 "[ . 1 . 2 ]" 1
236 1 50 ILE HB 1 104 VAL H 4.300 . 5.000 4.199 3.559 4.769 . 0 0 "[ . 1 . 2 ]" 1
237 1 50 ILE MD 1 51 LYS H 3.000 . 5.000 4.330 3.509 4.902 . 0 0 "[ . 1 . 2 ]" 1
238 1 50 ILE MD 1 101 ASN QB 3.000 . 5.000 3.602 2.210 5.001 0.001 16 0 "[ . 1 . 2 ]" 1
239 1 50 ILE MD 1 101 ASN QD 3.000 . 5.000 3.129 2.221 4.347 . 0 0 "[ . 1 . 2 ]" 1
240 1 50 ILE MD 1 101 ASN HD22 3.000 . 5.000 4.226 3.420 5.001 0.001 20 0 "[ . 1 . 2 ]" 1
241 1 50 ILE QG 1 51 LYS H 4.300 . 5.000 1.961 1.903 2.355 . 0 0 "[ . 1 . 2 ]" 1
242 1 50 ILE QG 1 51 LYS HA 4.300 . 6.000 3.703 3.560 3.832 . 0 0 "[ . 1 . 2 ]" 1
243 1 50 ILE QG 1 52 LYS H 4.300 . 6.000 3.702 3.460 3.996 . 0 0 "[ . 1 . 2 ]" 1
244 1 50 ILE QG 1 52 LYS QE 3.000 . 5.000 3.545 2.348 4.394 . 0 0 "[ . 1 . 2 ]" 1
245 1 50 ILE QG 1 101 ASN QB 4.300 . 6.000 4.076 3.031 4.979 . 0 0 "[ . 1 . 2 ]" 1
246 1 50 ILE QG 1 101 ASN HD22 4.300 . 6.000 4.921 4.334 5.162 . 0 0 "[ . 1 . 2 ]" 1
247 1 50 ILE QG 1 105 GLU HA 4.300 . 6.000 6.008 6.003 6.027 0.027 2 0 "[ . 1 . 2 ]" 1
248 1 50 ILE HG12 1 51 LYS H 3.000 . 5.000 4.773 4.284 5.015 0.015 2 0 "[ . 1 . 2 ]" 1
249 1 50 ILE HG12 1 101 ASN QB 4.300 . 6.000 4.694 3.260 6.001 0.001 18 0 "[ . 1 . 2 ]" 1
250 1 50 ILE HG12 1 101 ASN QD 4.300 . 6.000 4.322 3.116 4.783 . 0 0 "[ . 1 . 2 ]" 1
251 1 50 ILE HG12 1 101 ASN HD22 4.300 . 6.000 5.651 4.809 6.001 0.001 5 0 "[ . 1 . 2 ]" 1
252 1 50 ILE HG13 1 101 ASN QB 4.300 . 6.000 4.834 3.304 5.746 . 0 0 "[ . 1 . 2 ]" 1
253 1 50 ILE HG13 1 101 ASN QD 4.300 . 6.000 4.385 3.523 4.834 . 0 0 "[ . 1 . 2 ]" 1
254 1 50 ILE HG13 1 101 ASN HD22 4.300 . 6.000 5.673 5.089 5.999 . 0 0 "[ . 1 . 2 ]" 1
255 1 50 ILE MG 1 52 LYS QE 3.000 . 5.000 3.612 2.356 4.554 . 0 0 "[ . 1 . 2 ]" 1
256 1 51 LYS H 1 52 LYS H 3.000 . 5.000 4.065 3.920 4.253 . 0 0 "[ . 1 . 2 ]" 1
257 1 51 LYS HA 1 52 LYS H 3.000 . 5.000 2.179 2.153 2.187 . 0 0 "[ . 1 . 2 ]" 1
258 1 51 LYS HA 1 52 LYS HA 4.300 . 6.000 4.417 4.395 4.437 . 0 0 "[ . 1 . 2 ]" 1
259 1 51 LYS HA 1 105 GLU HA 4.300 . 5.000 4.728 4.203 5.002 0.002 3 0 "[ . 1 . 2 ]" 1
260 1 51 LYS QB 1 52 LYS H 4.300 . 6.000 3.646 3.504 3.953 . 0 0 "[ . 1 . 2 ]" 1
261 1 51 LYS QG 1 52 LYS H 3.000 . 5.000 4.283 3.426 4.869 . 0 0 "[ . 1 . 2 ]" 1
262 1 52 LYS H 1 53 GLU H 3.000 . 5.000 4.515 4.218 4.594 . 0 0 "[ . 1 . 2 ]" 1
263 1 52 LYS H 1 105 GLU HA 3.000 . 5.000 3.141 2.662 3.592 . 0 0 "[ . 1 . 2 ]" 1
264 1 52 LYS HA 1 53 GLU H 3.000 . 3.000 2.327 2.140 2.496 . 0 0 "[ . 1 . 2 ]" 1
265 1 52 LYS HA 1 105 GLU HA 4.300 . 6.000 4.959 4.414 5.706 . 0 0 "[ . 1 . 2 ]" 1
266 1 52 LYS QB 1 53 GLU H 4.300 . 5.000 2.994 2.235 3.619 . 0 0 "[ . 1 . 2 ]" 1
267 1 52 LYS QB 1 105 GLU HA 3.000 . 5.000 2.794 1.973 4.339 . 0 0 "[ . 1 . 2 ]" 1
268 1 52 LYS QB 1 105 GLU QG 3.000 . 5.000 3.530 2.426 5.002 0.002 8 0 "[ . 1 . 2 ]" 1
269 1 52 LYS QB 1 106 VAL H 4.300 . 6.000 3.782 3.134 4.856 . 0 0 "[ . 1 . 2 ]" 1
270 1 52 LYS QD 1 53 GLU H 4.300 . 6.000 3.956 2.277 5.285 . 0 0 "[ . 1 . 2 ]" 1
271 1 52 LYS QD 1 105 GLU HA 4.300 . 6.000 4.942 3.102 6.000 . 9 0 "[ . 1 . 2 ]" 1
272 1 52 LYS QG 1 53 GLU H 3.000 . 5.000 3.166 1.921 4.364 . 0 0 "[ . 1 . 2 ]" 1
273 1 52 LYS QG 1 105 GLU HA 4.300 . 6.000 4.004 2.120 4.871 . 0 0 "[ . 1 . 2 ]" 1
274 1 52 LYS QG 1 105 GLU QG 3.000 . 5.000 4.178 2.855 5.021 0.021 2 0 "[ . 1 . 2 ]" 1
275 1 52 LYS QG 1 106 VAL H 4.300 . 6.000 4.819 3.078 5.675 . 0 0 "[ . 1 . 2 ]" 1
276 1 53 GLU H 1 105 GLU HA 4.300 . 6.000 5.341 4.667 5.999 . 0 0 "[ . 1 . 2 ]" 1
277 1 53 GLU H 1 106 VAL H 4.300 . 6.000 4.900 4.252 5.786 . 0 0 "[ . 1 . 2 ]" 1
278 1 53 GLU HA 1 54 ASN H 3.000 . 3.000 2.165 2.140 2.207 . 0 0 "[ . 1 . 2 ]" 1
279 1 53 GLU HA 1 106 VAL H 3.000 . 5.000 3.523 2.219 4.623 . 0 0 "[ . 1 . 2 ]" 1
280 1 53 GLU QB 1 54 ASN H 4.300 . 6.000 3.346 2.926 3.735 . 0 0 "[ . 1 . 2 ]" 1
281 1 53 GLU QB 1 108 ALA MB 3.000 . 5.000 2.850 1.823 4.033 . 0 0 "[ . 1 . 2 ]" 1
282 1 53 GLU QG 1 54 ASN H 4.300 . 6.000 4.100 2.826 4.614 . 0 0 "[ . 1 . 2 ]" 1
283 1 53 GLU QG 1 108 ALA MB 3.000 . 5.000 3.481 1.873 5.000 0.000 11 0 "[ . 1 . 2 ]" 1
284 1 54 ASN H 1 55 PRO QD 4.300 . 5.000 3.972 3.619 4.378 . 0 0 "[ . 1 . 2 ]" 1
285 1 54 ASN H 1 56 ASN H 4.300 . 6.000 5.352 4.857 5.605 . 0 0 "[ . 1 . 2 ]" 1
286 1 54 ASN H 1 57 LEU H 4.300 . 6.000 5.243 4.896 6.008 0.008 9 0 "[ . 1 . 2 ]" 1
287 1 54 ASN H 1 57 LEU QD 4.300 . 6.000 3.759 2.810 4.802 . 0 0 "[ . 1 . 2 ]" 1
288 1 54 ASN H 1 105 GLU HA 3.000 . 5.000 4.920 4.238 5.005 0.005 11 0 "[ . 1 . 2 ]" 1
289 1 54 ASN H 1 106 VAL H 3.000 . 5.000 3.804 3.130 4.185 . 0 0 "[ . 1 . 2 ]" 1
290 1 54 ASN H 1 107 GLY QA 4.300 . 6.000 2.926 2.018 3.445 . 0 0 "[ . 1 . 2 ]" 1
291 1 54 ASN H 1 108 ALA H 3.000 . 5.000 3.264 2.171 3.913 . 0 0 "[ . 1 . 2 ]" 1
292 1 54 ASN H 1 108 ALA MB 4.300 . 6.000 3.887 3.004 5.141 . 0 0 "[ . 1 . 2 ]" 1
293 1 54 ASN HA 1 55 PRO QB 4.300 . 6.000 4.640 4.509 4.707 . 0 0 "[ . 1 . 2 ]" 1
294 1 54 ASN HA 1 55 PRO QD 3.000 . 5.000 1.944 1.907 2.032 . 0 0 "[ . 1 . 2 ]" 1
295 1 54 ASN HA 1 55 PRO QG 3.000 . 5.000 3.854 3.814 3.949 . 0 0 "[ . 1 . 2 ]" 1
296 1 54 ASN HA 1 56 ASN H 4.300 . 5.000 3.754 3.352 5.001 0.001 17 0 "[ . 1 . 2 ]" 1
297 1 54 ASN HA 1 57 LEU QD 4.300 . 5.000 4.462 3.843 5.007 0.007 9 0 "[ . 1 . 2 ]" 1
298 1 54 ASN HA 1 108 ALA H 3.000 . 5.000 4.837 4.105 5.026 0.026 2 0 "[ . 1 . 2 ]" 1
299 1 54 ASN QB 1 56 ASN H 3.000 . 5.000 3.480 2.546 4.312 . 0 0 "[ . 1 . 2 ]" 1
300 1 54 ASN QB 1 57 LEU H 4.300 . 6.000 3.189 2.419 4.766 . 0 0 "[ . 1 . 2 ]" 1
301 1 54 ASN QB 1 57 LEU QD 3.000 . 5.000 2.276 1.798 3.090 0.002 2 0 "[ . 1 . 2 ]" 1
302 1 54 ASN QB 1 57 LEU HG 4.300 . 6.000 3.590 2.134 6.002 0.002 11 0 "[ . 1 . 2 ]" 1
303 1 54 ASN QB 1 105 GLU HA 4.300 . 6.000 4.093 3.347 5.532 . 0 0 "[ . 1 . 2 ]" 1
304 1 54 ASN QB 1 105 GLU QB 3.000 . 5.000 2.410 1.848 4.132 . 0 0 "[ . 1 . 2 ]" 1
305 1 54 ASN QB 1 106 VAL H 4.300 . 5.000 4.069 3.428 5.001 0.001 11 0 "[ . 1 . 2 ]" 1
306 1 54 ASN QB 1 108 ALA H 4.300 . 6.000 4.358 3.693 5.024 . 0 0 "[ . 1 . 2 ]" 1
307 1 54 ASN QD 1 57 LEU QD 3.000 . 5.000 2.547 1.794 4.250 0.006 9 0 "[ . 1 . 2 ]" 1
308 1 54 ASN QD 1 57 LEU HG 4.300 . 6.000 3.729 2.078 4.872 . 0 0 "[ . 1 . 2 ]" 1
309 1 54 ASN QD 1 105 GLU QB 4.300 . 5.000 2.917 1.843 3.951 . 0 0 "[ . 1 . 2 ]" 1
310 1 54 ASN HD22 1 56 ASN H 4.300 . 6.000 4.836 2.731 5.947 . 0 0 "[ . 1 . 2 ]" 1
311 1 54 ASN HD22 1 57 LEU QD 3.000 . 5.000 3.362 1.899 4.981 . 0 0 "[ . 1 . 2 ]" 1
312 1 54 ASN HD22 1 57 LEU HG 4.300 . 6.000 4.886 3.016 6.004 0.004 2 0 "[ . 1 . 2 ]" 1
313 1 54 ASN HD22 1 105 GLU QB 3.000 . 5.000 3.651 2.204 5.000 . 0 0 "[ . 1 . 2 ]" 1
314 1 55 PRO HA 1 56 ASN H 4.300 . 6.000 3.346 2.357 3.516 . 0 0 "[ . 1 . 2 ]" 1
315 1 55 PRO HA 1 57 LEU H 3.000 . 5.000 3.977 3.533 4.476 . 0 0 "[ . 1 . 2 ]" 1
316 1 55 PRO HA 1 108 ALA H 3.000 . 5.000 3.147 2.601 3.882 . 0 0 "[ . 1 . 2 ]" 1
317 1 55 PRO HA 1 108 ALA MB 3.000 . 5.000 3.825 2.292 4.595 . 0 0 "[ . 1 . 2 ]" 1
318 1 55 PRO QB 1 56 ASN H 4.300 . 5.000 3.447 3.270 3.996 . 0 0 "[ . 1 . 2 ]" 1
319 1 55 PRO QB 1 108 ALA MB 4.300 . 5.000 4.312 3.012 5.001 0.001 6 0 "[ . 1 . 2 ]" 1
320 1 55 PRO QD 1 56 ASN H 3.000 . 5.000 2.862 2.410 4.545 . 0 0 "[ . 1 . 2 ]" 1
321 1 55 PRO QD 1 57 LEU H 4.300 . 6.000 4.745 4.385 5.787 . 0 0 "[ . 1 . 2 ]" 1
322 1 55 PRO QD 1 57 LEU QD 4.300 . 6.000 4.984 4.497 5.508 . 0 0 "[ . 1 . 2 ]" 1
323 1 55 PRO QD 1 108 ALA H 3.000 . 5.000 4.632 4.160 5.005 0.005 12 0 "[ . 1 . 2 ]" 1
324 1 55 PRO QG 1 56 ASN H 4.300 . 5.000 2.875 2.364 4.705 . 0 0 "[ . 1 . 2 ]" 1
325 1 55 PRO QG 1 108 ALA MB 4.300 . 6.000 5.411 4.226 6.002 0.002 19 0 "[ . 1 . 2 ]" 1
326 1 56 ASN H 1 57 LEU H 2.200 . 3.000 2.604 1.948 2.861 . 0 0 "[ . 1 . 2 ]" 1
327 1 56 ASN H 1 57 LEU QD 4.300 . 6.000 4.154 3.283 4.984 . 0 0 "[ . 1 . 2 ]" 1
328 1 56 ASN QB 1 57 LEU H 3.000 . 5.000 3.018 2.447 4.034 . 0 0 "[ . 1 . 2 ]" 1
329 1 56 ASN QD 1 57 LEU H 4.300 . 6.000 4.256 3.143 5.342 . 0 0 "[ . 1 . 2 ]" 1
330 1 56 ASN HD22 1 57 LEU H 4.300 . 6.000 5.489 3.764 6.001 0.001 4 0 "[ . 1 . 2 ]" 1
331 1 57 LEU H 1 58 PRO QD 4.300 . 5.000 4.369 4.325 4.410 . 0 0 "[ . 1 . 2 ]" 1
332 1 57 LEU H 1 107 GLY H 4.300 . 6.000 5.947 5.631 6.003 0.003 9 0 "[ . 1 . 2 ]" 1
333 1 57 LEU H 1 107 GLY QA 3.000 . 5.000 3.610 3.058 3.893 . 0 0 "[ . 1 . 2 ]" 1
334 1 57 LEU H 1 108 ALA H 3.000 . 5.000 4.658 4.210 5.001 0.001 1 0 "[ . 1 . 2 ]" 1
335 1 57 LEU HA 1 58 PRO QD 3.000 . 5.000 2.036 1.907 2.129 . 0 0 "[ . 1 . 2 ]" 1
336 1 57 LEU QB 1 58 PRO QD 4.300 . 6.000 2.032 1.955 2.335 . 0 0 "[ . 1 . 2 ]" 1
337 1 57 LEU QB 1 61 GLN QB 3.000 . 5.000 2.227 1.822 2.915 . 0 0 "[ . 1 . 2 ]" 1
338 1 57 LEU QB 1 61 GLN QG 3.000 . 5.000 3.727 2.139 4.950 . 0 0 "[ . 1 . 2 ]" 1
339 1 57 LEU QB 1 107 GLY H 3.000 . 5.000 3.417 2.966 3.812 . 0 0 "[ . 1 . 2 ]" 1
340 1 57 LEU QB 1 107 GLY QA 4.300 . 5.000 2.062 1.797 2.614 0.003 2 0 "[ . 1 . 2 ]" 1
341 1 57 LEU QD 1 58 PRO QD 3.000 . 5.000 2.549 1.844 3.020 . 0 0 "[ . 1 . 2 ]" 1
342 1 57 LEU QD 1 61 GLN QB 3.000 . 5.000 1.940 1.796 2.355 0.004 2 0 "[ . 1 . 2 ]" 1
343 1 57 LEU QD 1 61 GLN HE21 3.000 . 5.000 3.143 2.210 4.639 . 0 0 "[ . 1 . 2 ]" 1
344 1 57 LEU QD 1 61 GLN HE22 3.000 . 5.000 3.096 2.111 5.002 0.002 11 0 "[ . 1 . 2 ]" 1
345 1 57 LEU QD 1 61 GLN QG 3.000 . 5.000 2.975 1.800 3.599 . 4 0 "[ . 1 . 2 ]" 1
346 1 57 LEU QD 1 63 ASN H 3.000 . 5.000 3.768 2.516 4.960 . 0 0 "[ . 1 . 2 ]" 1
347 1 57 LEU QD 1 63 ASN QB 3.000 . 5.000 3.177 1.794 4.216 0.006 2 0 "[ . 1 . 2 ]" 1
348 1 57 LEU QD 1 63 ASN QD 3.000 . 5.000 3.268 1.985 3.953 . 0 0 "[ . 1 . 2 ]" 1
349 1 57 LEU QD 1 105 GLU HA 4.300 . 6.000 4.438 3.840 5.625 . 0 0 "[ . 1 . 2 ]" 1
350 1 57 LEU QD 1 106 VAL H 4.300 . 6.000 4.164 3.499 5.793 . 0 0 "[ . 1 . 2 ]" 1
351 1 57 LEU QD 1 107 GLY H 4.300 . 6.000 2.593 1.982 4.557 . 0 0 "[ . 1 . 2 ]" 1
352 1 58 PRO HA 1 59 ALA H 3.000 . 3.000 2.974 2.780 3.436 0.436 2 0 "[ . 1 . 2 ]" 1
353 1 58 PRO HA 1 59 ALA MB 3.000 . 5.000 3.759 3.703 4.058 . 0 0 "[ . 1 . 2 ]" 1
354 1 58 PRO QB 1 59 ALA H 3.000 . 5.000 3.834 1.784 4.000 0.016 2 0 "[ . 1 . 2 ]" 1
355 1 58 PRO QB 1 59 ALA MB 4.300 . 6.000 3.996 3.240 4.161 . 0 0 "[ . 1 . 2 ]" 1
356 1 58 PRO QB 1 61 GLN H 4.300 . 6.000 5.441 4.250 6.002 0.002 16 0 "[ . 1 . 2 ]" 1
357 1 58 PRO QD 1 59 ALA MB 4.300 . 5.000 4.904 4.763 5.017 0.017 17 0 "[ . 1 . 2 ]" 1
358 1 58 PRO QD 1 61 GLN H 4.300 . 6.000 3.861 2.780 4.353 . 0 0 "[ . 1 . 2 ]" 1
359 1 58 PRO QD 1 61 GLN QB 3.000 . 5.000 1.920 1.811 2.180 . 0 0 "[ . 1 . 2 ]" 1
360 1 58 PRO QD 1 61 GLN HE21 4.300 . 6.000 4.412 2.419 5.234 . 0 0 "[ . 1 . 2 ]" 1
361 1 58 PRO QD 1 61 GLN QG 4.300 . 6.000 2.597 1.956 3.538 . 0 0 "[ . 1 . 2 ]" 1
362 1 58 PRO QG 1 59 ALA H 4.300 . 6.000 4.362 3.317 4.753 . 0 0 "[ . 1 . 2 ]" 1
363 1 58 PRO QG 1 59 ALA MB 4.300 . 6.000 5.172 4.690 5.386 . 0 0 "[ . 1 . 2 ]" 1
364 1 58 PRO QG 1 61 GLN HE21 4.300 . 6.000 5.137 3.052 6.001 0.001 10 0 "[ . 1 . 2 ]" 1
365 1 58 PRO QG 1 61 GLN HE22 4.300 . 6.000 5.356 4.451 6.001 0.001 6 0 "[ . 1 . 2 ]" 1
366 1 59 ALA H 1 60 GLY H 3.000 . 5.000 4.031 3.659 4.304 . 0 0 "[ . 1 . 2 ]" 1
367 1 59 ALA H 1 61 GLN H 3.000 . 5.000 4.086 3.324 4.690 . 0 0 "[ . 1 . 2 ]" 1
368 1 59 ALA HA 1 60 GLY H 3.000 . 3.000 2.184 2.142 2.277 . 0 0 "[ . 1 . 2 ]" 1
369 1 59 ALA HA 1 61 GLN H 3.000 . 5.000 3.695 3.341 4.249 . 0 0 "[ . 1 . 2 ]" 1
370 1 59 ALA HA 1 61 GLN QB 4.300 . 6.000 4.583 4.243 5.200 . 0 0 "[ . 1 . 2 ]" 1
371 1 59 ALA MB 1 60 GLY H 3.000 . 5.000 3.048 2.705 3.437 . 0 0 "[ . 1 . 2 ]" 1
372 1 59 ALA MB 1 60 GLY QA 3.000 . 5.000 3.668 3.514 3.786 . 0 0 "[ . 1 . 2 ]" 1
373 1 59 ALA MB 1 61 GLN H 3.000 . 5.000 4.559 4.310 5.004 0.004 5 0 "[ . 1 . 2 ]" 1
374 1 60 GLY H 1 61 GLN H 3.000 . 5.000 2.771 2.445 3.026 . 0 0 "[ . 1 . 2 ]" 1
375 1 60 GLY H 1 108 ALA H 3.000 . 5.000 4.736 4.150 5.007 0.007 9 0 "[ . 1 . 2 ]" 1
376 1 60 GLY H 1 108 ALA MB 4.300 . 5.000 4.654 3.727 5.020 0.020 2 0 "[ . 1 . 2 ]" 1
377 1 60 GLY QA 1 61 GLN H 3.000 . 5.000 2.777 2.568 2.865 . 0 0 "[ . 1 . 2 ]" 1
378 1 61 GLN H 1 62 GLU H 3.000 . 5.000 4.498 4.249 4.590 . 0 0 "[ . 1 . 2 ]" 1
379 1 61 GLN H 1 106 VAL HA 3.000 . 5.000 4.303 3.432 5.008 0.008 10 0 "[ . 1 . 2 ]" 1
380 1 61 GLN H 1 107 GLY H 3.000 . 5.000 2.556 1.988 3.353 . 0 0 "[ . 1 . 2 ]" 1
381 1 61 GLN H 1 107 GLY QA 3.000 . 5.000 2.729 2.163 3.408 . 0 0 "[ . 1 . 2 ]" 1
382 1 61 GLN HA 1 62 GLU H 3.000 . 5.000 2.233 2.139 2.468 . 0 0 "[ . 1 . 2 ]" 1
383 1 61 GLN HA 1 62 GLU HA 4.300 . 6.000 4.415 4.371 4.543 . 0 0 "[ . 1 . 2 ]" 1
384 1 61 GLN HA 1 62 GLU QB 4.300 . 6.000 4.212 3.816 4.596 . 0 0 "[ . 1 . 2 ]" 1
385 1 61 GLN QB 1 62 GLU H 3.000 . 5.000 3.477 2.877 3.898 . 0 0 "[ . 1 . 2 ]" 1
386 1 61 GLN QB 1 106 VAL HA 4.300 . 6.000 4.472 3.792 4.964 . 0 0 "[ . 1 . 2 ]" 1
387 1 61 GLN QB 1 107 GLY QA 4.300 . 6.000 3.326 2.325 4.044 . 0 0 "[ . 1 . 2 ]" 1
388 1 61 GLN HE21 1 62 GLU H 4.300 . 6.000 3.540 2.197 5.286 . 0 0 "[ . 1 . 2 ]" 1
389 1 61 GLN HE21 1 63 ASN QB 4.300 . 6.000 3.632 2.527 5.744 . 0 0 "[ . 1 . 2 ]" 1
390 1 61 GLN HE22 1 62 GLU H 3.000 . 5.000 4.464 2.782 5.001 0.001 15 0 "[ . 1 . 2 ]" 1
391 1 61 GLN HE22 1 63 ASN HA 4.300 . 6.000 4.769 2.912 6.001 0.001 4 0 "[ . 1 . 2 ]" 1
392 1 61 GLN HE22 1 63 ASN QB 4.300 . 6.000 3.329 2.005 5.373 . 0 0 "[ . 1 . 2 ]" 1
393 1 61 GLN QG 1 62 GLU QB 4.300 . 5.000 4.677 4.187 5.001 0.001 4 0 "[ . 1 . 2 ]" 1
394 1 61 GLN QG 1 63 ASN QB 4.300 . 6.000 4.556 3.162 5.822 . 0 0 "[ . 1 . 2 ]" 1
395 1 62 GLU H 1 63 ASN H 3.000 . 5.000 4.310 4.016 4.571 . 0 0 "[ . 1 . 2 ]" 1
396 1 62 GLU HA 1 63 ASN H 2.200 . 3.000 2.198 2.128 2.516 . 0 0 "[ . 1 . 2 ]" 1
397 1 62 GLU HA 1 63 ASN QB 4.300 . 6.000 4.311 3.903 4.565 . 0 0 "[ . 1 . 2 ]" 1
398 1 63 ASN H 1 104 VAL HA 3.000 . 5.000 4.102 3.664 4.827 . 0 0 "[ . 1 . 2 ]" 1
399 1 63 ASN H 1 105 GLU HA 4.300 . 6.000 5.170 4.376 5.728 . 0 0 "[ . 1 . 2 ]" 1
400 1 63 ASN H 1 105 GLU QB 3.000 . 5.000 4.039 2.933 4.412 . 0 0 "[ . 1 . 2 ]" 1
401 1 63 ASN H 1 105 GLU QG 3.000 . 5.000 4.888 4.169 5.004 0.004 18 0 "[ . 1 . 2 ]" 1
402 1 63 ASN H 1 107 GLY H 4.300 . 6.000 5.701 4.611 6.002 0.002 17 0 "[ . 1 . 2 ]" 1
403 1 63 ASN HA 1 64 ILE H 3.000 . 5.000 2.194 2.139 2.392 . 0 0 "[ . 1 . 2 ]" 1
404 1 63 ASN HA 1 64 ILE HA 4.300 . 6.000 4.385 4.359 4.436 . 0 0 "[ . 1 . 2 ]" 1
405 1 63 ASN HA 1 64 ILE HB 3.000 . 5.000 4.712 4.594 4.815 . 0 0 "[ . 1 . 2 ]" 1
406 1 63 ASN HA 1 64 ILE HG12 3.000 . 5.000 3.983 3.262 5.005 0.005 2 0 "[ . 1 . 2 ]" 1
407 1 63 ASN HA 1 64 ILE QG 4.300 . 6.000 3.493 3.199 3.740 . 0 0 "[ . 1 . 2 ]" 1
408 1 63 ASN HA 1 65 ILE H 4.300 . 6.000 5.504 5.020 6.008 0.008 10 0 "[ . 1 . 2 ]" 1
409 1 63 ASN QB 1 64 ILE H 3.000 . 5.000 3.260 2.429 3.895 . 0 0 "[ . 1 . 2 ]" 1
410 1 63 ASN QB 1 64 ILE HB 4.300 . 6.000 5.442 4.936 6.017 0.017 2 0 "[ . 1 . 2 ]" 1
411 1 63 ASN QB 1 65 ILE H 4.300 . 6.000 4.766 4.140 5.717 . 0 0 "[ . 1 . 2 ]" 1
412 1 63 ASN QB 1 65 ILE MD 3.000 . 5.000 3.629 2.566 5.000 . 0 0 "[ . 1 . 2 ]" 1
413 1 63 ASN QB 1 65 ILE QG 3.000 . 5.000 3.867 3.201 4.605 . 0 0 "[ . 1 . 2 ]" 1
414 1 63 ASN QB 1 105 GLU QB 3.000 . 5.000 3.950 1.881 4.942 . 0 0 "[ . 1 . 2 ]" 1
415 1 63 ASN QB 1 105 GLU QG 3.000 . 5.000 4.452 3.201 5.001 0.001 7 0 "[ . 1 . 2 ]" 1
416 1 63 ASN QD 1 64 ILE H 4.300 . 6.000 4.535 3.016 5.054 . 0 0 "[ . 1 . 2 ]" 1
417 1 63 ASN QD 1 65 ILE MD 3.000 . 5.000 2.400 1.806 4.147 . 0 0 "[ . 1 . 2 ]" 1
418 1 63 ASN QD 1 65 ILE QG 3.000 . 5.000 2.908 1.866 4.137 . 0 0 "[ . 1 . 2 ]" 1
419 1 63 ASN QD 1 105 GLU QB 4.300 . 6.000 2.802 1.980 4.450 . 0 0 "[ . 1 . 2 ]" 1
420 1 63 ASN QD 1 105 GLU QG 3.000 . 5.000 2.962 1.995 4.222 . 0 0 "[ . 1 . 2 ]" 1
421 1 63 ASN HD22 1 64 ILE H 4.300 . 6.000 5.581 4.115 6.003 0.003 17 0 "[ . 1 . 2 ]" 1
422 1 63 ASN HD22 1 65 ILE MD 3.000 . 5.000 2.740 1.881 4.297 . 0 0 "[ . 1 . 2 ]" 1
423 1 63 ASN HD22 1 65 ILE QG 4.300 . 6.000 3.357 2.562 4.377 . 0 0 "[ . 1 . 2 ]" 1
424 1 63 ASN HD22 1 105 GLU QB 3.000 . 5.000 3.310 1.988 5.010 0.010 2 0 "[ . 1 . 2 ]" 1
425 1 63 ASN HD22 1 105 GLU QG 3.000 . 5.000 3.384 2.013 4.904 . 0 0 "[ . 1 . 2 ]" 1
426 1 64 ILE HA 1 65 ILE H 3.000 . 5.000 2.220 2.109 2.292 . 0 0 "[ . 1 . 2 ]" 1
427 1 64 ILE HA 1 65 ILE HG12 4.300 . 6.000 4.399 3.492 5.856 . 0 0 "[ . 1 . 2 ]" 1
428 1 64 ILE HA 1 65 ILE QG 4.300 . 6.000 3.707 3.323 4.186 . 0 0 "[ . 1 . 2 ]" 1
429 1 64 ILE HA 1 65 ILE HG13 4.300 . 6.000 4.841 3.445 5.745 . 0 0 "[ . 1 . 2 ]" 1
430 1 64 ILE HA 1 66 THR H 3.000 . 5.000 3.696 3.419 4.090 . 0 0 "[ . 1 . 2 ]" 1
431 1 64 ILE HA 1 102 GLN HE21 4.300 . 6.000 4.760 3.715 5.933 . 0 0 "[ . 1 . 2 ]" 1
432 1 64 ILE HA 1 102 GLN HE22 4.300 . 6.000 5.272 3.341 6.010 0.010 10 0 "[ . 1 . 2 ]" 1
433 1 64 ILE MD 1 65 ILE H 3.000 . 5.000 4.373 3.928 5.028 0.028 2 0 "[ . 1 . 2 ]" 1
434 1 64 ILE MD 1 66 THR H 4.300 . 6.000 4.913 4.200 5.591 . 0 0 "[ . 1 . 2 ]" 1
435 1 64 ILE MD 1 68 GLY H 3.000 . 5.000 4.960 4.090 5.009 0.009 5 0 "[ . 1 . 2 ]" 1
436 1 64 ILE MD 1 102 GLN HE21 3.000 . 5.000 2.618 1.959 4.254 . 0 0 "[ . 1 . 2 ]" 1
437 1 64 ILE MD 1 102 GLN HE22 3.000 . 5.000 2.858 2.039 3.974 . 0 0 "[ . 1 . 2 ]" 1
438 1 64 ILE MD 1 102 GLN QG 3.000 . 5.000 3.365 2.939 4.074 . 0 0 "[ . 1 . 2 ]" 1
439 1 64 ILE QG 1 65 ILE H 3.000 . 5.000 3.056 2.264 3.466 . 0 0 "[ . 1 . 2 ]" 1
440 1 64 ILE QG 1 66 THR H 3.000 . 5.000 2.806 2.462 3.260 . 0 0 "[ . 1 . 2 ]" 1
441 1 64 ILE QG 1 66 THR HA 3.000 . 5.000 3.579 3.307 3.749 . 0 0 "[ . 1 . 2 ]" 1
442 1 64 ILE QG 1 66 THR HB 4.300 . 6.000 4.942 4.631 5.251 . 0 0 "[ . 1 . 2 ]" 1
443 1 64 ILE QG 1 67 ALA H 3.000 . 5.000 2.651 2.162 3.235 . 0 0 "[ . 1 . 2 ]" 1
444 1 64 ILE QG 1 67 ALA MB 2.200 . 3.000 2.428 1.919 2.856 . 0 0 "[ . 1 . 2 ]" 1
445 1 64 ILE QG 1 68 GLY H 4.300 . 6.000 4.176 3.548 4.382 . 0 0 "[ . 1 . 2 ]" 1
446 1 64 ILE QG 1 102 GLN HE21 4.300 . 6.000 2.909 1.946 4.011 . 0 0 "[ . 1 . 2 ]" 1
447 1 64 ILE QG 1 102 GLN HE22 4.300 . 6.000 3.282 1.953 4.270 . 0 0 "[ . 1 . 2 ]" 1
448 1 64 ILE QG 1 102 GLN QG 3.000 . 5.000 3.071 2.556 4.170 . 0 0 "[ . 1 . 2 ]" 1
449 1 64 ILE QG 1 103 VAL H 4.300 . 6.000 3.813 3.326 4.511 . 0 0 "[ . 1 . 2 ]" 1
450 1 64 ILE HG12 1 102 GLN HE21 4.300 . 6.000 4.750 2.754 5.999 . 0 0 "[ . 1 . 2 ]" 1
451 1 64 ILE HG12 1 102 GLN HE22 4.300 . 6.000 4.916 2.048 6.002 0.002 1 0 "[ . 1 . 2 ]" 1
452 1 64 ILE MG 1 65 ILE H 3.000 . 5.000 3.108 2.273 3.551 . 0 0 "[ . 1 . 2 ]" 1
453 1 64 ILE MG 1 66 THR H 3.000 . 5.000 2.814 2.466 3.276 . 0 0 "[ . 1 . 2 ]" 1
454 1 64 ILE MG 1 67 ALA H 3.000 . 5.000 2.656 2.164 3.245 . 0 0 "[ . 1 . 2 ]" 1
455 1 64 ILE MG 1 67 ALA HA 3.000 . 5.000 2.564 2.281 2.789 . 0 0 "[ . 1 . 2 ]" 1
456 1 64 ILE MG 1 67 ALA MB 2.200 . 3.000 2.439 1.925 2.869 . 0 0 "[ . 1 . 2 ]" 1
457 1 64 ILE MG 1 68 GLY H 3.000 . 5.000 4.228 3.601 4.436 . 0 0 "[ . 1 . 2 ]" 1
458 1 64 ILE MG 1 102 GLN HE21 3.000 . 5.000 3.029 1.955 4.342 . 0 0 "[ . 1 . 2 ]" 1
459 1 64 ILE MG 1 102 GLN HE22 3.000 . 5.000 3.543 1.962 4.540 . 0 0 "[ . 1 . 2 ]" 1
460 1 64 ILE MG 1 102 GLN QG 3.000 . 5.000 3.126 2.583 4.288 . 0 0 "[ . 1 . 2 ]" 1
461 1 64 ILE MG 1 103 VAL H 3.000 . 5.000 3.843 3.349 4.560 . 0 0 "[ . 1 . 2 ]" 1
462 1 65 ILE H 1 66 THR H 2.200 . 3.000 2.428 2.093 2.732 . 0 0 "[ . 1 . 2 ]" 1
463 1 65 ILE H 1 66 THR HB 4.300 . 6.000 5.325 4.952 5.668 . 0 0 "[ . 1 . 2 ]" 1
464 1 65 ILE HA 1 66 THR H 3.000 . 5.000 3.522 3.490 3.555 . 0 0 "[ . 1 . 2 ]" 1
465 1 65 ILE HB 1 66 THR H 3.000 . 5.000 2.633 2.377 2.841 . 0 0 "[ . 1 . 2 ]" 1
466 1 65 ILE HB 1 66 THR HB 4.300 . 6.000 4.052 3.747 4.555 . 0 0 "[ . 1 . 2 ]" 1
467 1 65 ILE MD 1 66 THR H 4.300 . 6.000 4.399 3.113 4.745 . 0 0 "[ . 1 . 2 ]" 1
468 1 65 ILE MD 1 105 GLU H 3.000 . 5.000 3.905 2.303 4.736 . 0 0 "[ . 1 . 2 ]" 1
469 1 65 ILE MD 1 105 GLU HA 4.300 . 6.000 5.379 4.115 6.006 0.006 2 0 "[ . 1 . 2 ]" 1
470 1 65 ILE MD 1 105 GLU QB 3.000 . 5.000 3.726 3.076 4.270 . 0 0 "[ . 1 . 2 ]" 1
471 1 65 ILE MD 1 105 GLU QG 3.000 . 5.000 2.504 1.798 3.177 0.002 18 0 "[ . 1 . 2 ]" 1
472 1 65 ILE QG 1 66 THR H 4.300 . 5.000 3.342 3.199 3.418 . 0 0 "[ . 1 . 2 ]" 1
473 1 65 ILE QG 1 66 THR HA 3.000 . 5.000 4.213 3.996 4.365 . 0 0 "[ . 1 . 2 ]" 1
474 1 65 ILE QG 1 66 THR HB 3.000 . 5.000 3.987 2.980 4.491 . 0 0 "[ . 1 . 2 ]" 1
475 1 65 ILE QG 1 105 GLU H 4.300 . 6.000 3.540 2.976 4.184 . 0 0 "[ . 1 . 2 ]" 1
476 1 65 ILE QG 1 105 GLU QB 3.000 . 5.000 4.008 3.400 4.349 . 0 0 "[ . 1 . 2 ]" 1
477 1 65 ILE QG 1 105 GLU QG 3.000 . 5.000 2.597 2.051 3.219 . 0 0 "[ . 1 . 2 ]" 1
478 1 65 ILE HG12 1 66 THR H 3.000 . 5.000 4.362 3.815 5.001 0.001 8 0 "[ . 1 . 2 ]" 1
479 1 65 ILE HG12 1 105 GLU H 4.300 . 6.000 4.183 3.074 5.113 . 0 0 "[ . 1 . 2 ]" 1
480 1 65 ILE HG12 1 105 GLU QB 3.000 . 5.000 4.626 3.867 5.005 0.005 19 0 "[ . 1 . 2 ]" 1
481 1 65 ILE HG12 1 105 GLU QG 3.000 . 5.000 3.078 2.309 3.898 . 0 0 "[ . 1 . 2 ]" 1
482 1 65 ILE HG13 1 66 THR H 3.000 . 5.000 4.533 3.820 5.002 0.002 5 0 "[ . 1 . 2 ]" 1
483 1 65 ILE HG13 1 105 GLU QB 3.000 . 5.000 4.583 3.857 5.004 0.004 8 0 "[ . 1 . 2 ]" 1
484 1 65 ILE HG13 1 105 GLU QG 4.300 . 6.000 2.915 2.165 4.075 . 0 0 "[ . 1 . 2 ]" 1
485 1 65 ILE MG 1 66 THR H 3.000 . 5.000 3.687 3.501 3.827 . 0 0 "[ . 1 . 2 ]" 1
486 1 65 ILE MG 1 105 GLU QG 3.000 . 5.000 4.447 3.923 4.613 . 0 0 "[ . 1 . 2 ]" 1
487 1 66 THR H 1 67 ALA H 3.000 . 5.000 3.631 3.279 4.083 . 0 0 "[ . 1 . 2 ]" 1
488 1 66 THR H 1 67 ALA MB 4.300 . 6.000 4.907 4.609 5.125 . 0 0 "[ . 1 . 2 ]" 1
489 1 66 THR H 1 103 VAL H 3.000 . 5.000 2.933 2.665 3.254 . 0 0 "[ . 1 . 2 ]" 1
490 1 66 THR H 1 103 VAL HB 3.000 . 5.000 2.629 1.861 5.001 0.001 17 0 "[ . 1 . 2 ]" 1
491 1 66 THR H 1 103 VAL QG 3.000 . 5.000 3.086 1.962 3.621 . 0 0 "[ . 1 . 2 ]" 1
492 1 66 THR H 1 104 VAL HA 3.000 . 5.000 4.758 4.343 5.019 0.019 2 0 "[ . 1 . 2 ]" 1
493 1 66 THR HA 1 67 ALA H 2.200 . 3.000 2.218 2.143 2.301 . 0 0 "[ . 1 . 2 ]" 1
494 1 66 THR HA 1 67 ALA MB 3.000 . 5.000 3.998 3.968 4.043 . 0 0 "[ . 1 . 2 ]" 1
495 1 66 THR HB 1 67 ALA H 4.300 . 5.000 4.382 4.243 4.530 . 0 0 "[ . 1 . 2 ]" 1
496 1 66 THR HB 1 103 VAL H 3.000 . 5.000 3.388 2.705 4.623 . 0 0 "[ . 1 . 2 ]" 1
497 1 66 THR HB 1 103 VAL HB 3.000 . 5.000 3.220 2.414 4.916 . 0 0 "[ . 1 . 2 ]" 1
498 1 66 THR HB 1 103 VAL MG1 3.000 . 5.000 4.067 3.668 4.642 . 0 0 "[ . 1 . 2 ]" 1
499 1 66 THR HB 1 103 VAL QG 3.000 . 5.000 2.268 1.882 3.649 . 0 0 "[ . 1 . 2 ]" 1
500 1 66 THR HG1 1 103 VAL H 4.300 . 6.000 3.576 1.951 4.338 . 0 0 "[ . 1 . 2 ]" 1
501 1 66 THR MG 1 67 ALA H 3.000 . 5.000 3.567 3.288 4.157 . 0 0 "[ . 1 . 2 ]" 1
502 1 66 THR MG 1 103 VAL H 3.000 . 5.000 3.796 1.953 4.586 . 0 0 "[ . 1 . 2 ]" 1
503 1 67 ALA H 1 68 GLY H 3.000 . 5.000 4.601 4.440 4.649 . 0 0 "[ . 1 . 2 ]" 1
504 1 67 ALA H 1 102 GLN QG 4.300 . 6.000 4.738 4.180 6.019 0.019 11 0 "[ . 1 . 2 ]" 1
505 1 67 ALA HA 1 68 GLY H 3.000 . 5.000 2.229 2.134 2.394 . 0 0 "[ . 1 . 2 ]" 1
506 1 67 ALA HA 1 68 GLY QA 4.300 . 6.000 3.896 3.888 3.919 . 0 0 "[ . 1 . 2 ]" 1
507 1 67 ALA HA 1 102 GLN HA 4.300 . 6.000 2.906 2.437 3.718 . 0 0 "[ . 1 . 2 ]" 1
508 1 67 ALA HA 1 102 GLN QG 3.000 . 5.000 2.438 1.919 3.900 . 0 0 "[ . 1 . 2 ]" 1
509 1 67 ALA MB 1 68 GLY H 3.000 . 5.000 2.842 2.389 3.298 . 0 0 "[ . 1 . 2 ]" 1
510 1 67 ALA MB 1 68 GLY QA 4.300 . 6.000 3.924 3.738 4.151 . 0 0 "[ . 1 . 2 ]" 1
511 1 67 ALA MB 1 102 GLN HE21 4.300 . 6.000 4.241 2.974 6.002 0.002 2 0 "[ . 1 . 2 ]" 1
512 1 67 ALA MB 1 102 GLN QG 4.300 . 6.000 3.703 3.089 4.817 . 0 0 "[ . 1 . 2 ]" 1
513 1 68 GLY H 1 69 VAL H 3.000 . 5.000 4.537 4.409 4.612 . 0 0 "[ . 1 . 2 ]" 1
514 1 68 GLY H 1 102 GLN HA 3.000 . 5.000 2.513 2.069 3.235 . 0 0 "[ . 1 . 2 ]" 1
515 1 68 GLY H 1 102 GLN QB 3.000 . 5.000 2.254 1.962 3.368 . 0 0 "[ . 1 . 2 ]" 1
516 1 68 GLY H 1 102 GLN HE21 4.300 . 6.000 3.969 3.103 4.838 . 0 0 "[ . 1 . 2 ]" 1
517 1 68 GLY H 1 102 GLN HE22 4.300 . 6.000 4.486 3.136 5.813 . 0 0 "[ . 1 . 2 ]" 1
518 1 68 GLY H 1 102 GLN QG 3.000 . 5.000 2.352 1.797 3.300 0.003 2 0 "[ . 1 . 2 ]" 1
519 1 68 GLY H 1 103 VAL H 3.000 . 5.000 4.379 3.767 4.990 . 0 0 "[ . 1 . 2 ]" 1
520 1 68 GLY QA 1 69 VAL H 3.000 . 5.000 2.131 2.112 2.148 . 0 0 "[ . 1 . 2 ]" 1
521 1 68 GLY QA 1 69 VAL HB 4.300 . 6.000 4.505 4.467 4.548 . 0 0 "[ . 1 . 2 ]" 1
522 1 68 GLY QA 1 69 VAL QG 4.300 . 6.000 3.296 3.179 3.561 . 0 0 "[ . 1 . 2 ]" 1
523 1 68 GLY QA 1 100 ILE HB 4.300 . 6.000 3.378 3.177 4.967 . 0 0 "[ . 1 . 2 ]" 1
524 1 68 GLY QA 1 100 ILE QG 4.300 . 6.000 2.596 2.208 3.021 . 0 0 "[ . 1 . 2 ]" 1
525 1 68 GLY QA 1 100 ILE MG 3.000 . 5.000 2.616 2.211 3.048 . 0 0 "[ . 1 . 2 ]" 1
526 1 68 GLY QA 1 102 GLN H 4.300 . 5.000 2.379 2.162 2.754 . 0 0 "[ . 1 . 2 ]" 1
527 1 68 GLY QA 1 102 GLN QB 4.300 . 6.000 2.062 1.916 2.669 . 0 0 "[ . 1 . 2 ]" 1
528 1 68 GLY QA 1 103 VAL H 4.300 . 6.000 4.508 4.113 4.888 . 0 0 "[ . 1 . 2 ]" 1
529 1 69 VAL H 1 70 LYS H 3.000 . 5.000 4.289 4.131 4.391 . 0 0 "[ . 1 . 2 ]" 1
530 1 69 VAL H 1 99 VAL HA 4.300 . 5.000 5.011 4.863 5.030 0.030 18 0 "[ . 1 . 2 ]" 1
531 1 69 VAL H 1 100 ILE H 3.000 . 5.000 3.429 3.217 3.522 . 0 0 "[ . 1 . 2 ]" 1
532 1 69 VAL H 1 100 ILE HB 3.000 . 5.000 2.128 1.928 4.303 . 0 0 "[ . 1 . 2 ]" 1
533 1 69 VAL H 1 100 ILE MD 3.000 . 5.000 4.072 3.257 4.900 . 0 0 "[ . 1 . 2 ]" 1
534 1 69 VAL H 1 100 ILE QG 3.000 . 5.000 2.843 1.812 3.215 . 0 0 "[ . 1 . 2 ]" 1
535 1 69 VAL H 1 100 ILE MG 3.000 . 5.000 2.925 1.818 3.385 . 0 0 "[ . 1 . 2 ]" 1
536 1 69 VAL H 1 101 ASN H 4.300 . 6.000 4.452 4.241 4.960 . 0 0 "[ . 1 . 2 ]" 1
537 1 69 VAL H 1 102 GLN H 4.300 . 6.000 4.670 4.366 5.070 . 0 0 "[ . 1 . 2 ]" 1
538 1 69 VAL HA 1 70 LYS H 3.000 . 3.000 2.164 2.137 2.215 . 0 0 "[ . 1 . 2 ]" 1
539 1 69 VAL HB 1 70 LYS H 4.300 . 6.000 4.029 3.835 4.184 . 0 0 "[ . 1 . 2 ]" 1
540 1 69 VAL HB 1 99 VAL HA 4.300 . 6.000 4.864 4.367 5.078 . 0 0 "[ . 1 . 2 ]" 1
541 1 69 VAL HB 1 100 ILE H 3.000 . 5.000 3.321 2.732 3.648 . 0 0 "[ . 1 . 2 ]" 1
542 1 69 VAL HB 1 100 ILE HB 3.000 . 5.000 2.347 1.976 4.227 . 0 0 "[ . 1 . 2 ]" 1
543 1 69 VAL HB 1 100 ILE MD 3.000 . 5.000 3.097 1.921 4.701 . 0 0 "[ . 1 . 2 ]" 1
544 1 69 VAL HB 1 100 ILE HG12 3.000 . 5.000 3.464 2.595 4.769 . 0 0 "[ . 1 . 2 ]" 1
545 1 69 VAL HB 1 100 ILE QG 3.000 . 5.000 2.851 1.896 3.615 . 0 0 "[ . 1 . 2 ]" 1
546 1 69 VAL QG 1 70 LYS H 3.000 . 5.000 2.446 2.161 2.667 . 0 0 "[ . 1 . 2 ]" 1
547 1 69 VAL QG 1 97 LYS QE 3.000 . 5.000 4.498 3.611 5.001 0.001 12 0 "[ . 1 . 2 ]" 1
548 1 69 VAL QG 1 99 VAL HA 4.300 . 6.000 4.711 4.316 4.844 . 0 0 "[ . 1 . 2 ]" 1
549 1 69 VAL QG 1 100 ILE H 3.000 . 5.000 3.918 3.516 4.128 . 0 0 "[ . 1 . 2 ]" 1
550 1 69 VAL QG 1 100 ILE HB 3.000 . 5.000 2.707 2.080 4.404 . 0 0 "[ . 1 . 2 ]" 1
551 1 69 VAL QG 1 100 ILE HG12 3.000 . 5.000 3.727 3.389 4.438 . 0 0 "[ . 1 . 2 ]" 1
552 1 70 LYS HA 1 71 GLY H 3.000 . 5.000 2.143 2.132 2.171 . 0 0 "[ . 1 . 2 ]" 1
553 1 71 GLY H 1 72 GLU H 3.000 . 5.000 4.217 4.077 4.478 . 0 0 "[ . 1 . 2 ]" 1
554 1 71 GLY H 1 99 VAL H 4.300 . 6.000 4.303 4.046 4.692 . 0 0 "[ . 1 . 2 ]" 1
555 1 71 GLY H 1 99 VAL HA 4.300 . 5.000 2.299 1.977 2.857 . 0 0 "[ . 1 . 2 ]" 1
556 1 71 GLY H 1 99 VAL HB 3.000 . 5.000 2.249 1.966 2.496 . 0 0 "[ . 1 . 2 ]" 1
557 1 71 GLY H 1 99 VAL QG 3.000 . 5.000 1.963 1.869 2.078 . 0 0 "[ . 1 . 2 ]" 1
558 1 71 GLY H 1 99 VAL MG2 3.000 . 5.000 1.969 1.873 2.090 . 0 0 "[ . 1 . 2 ]" 1
559 1 71 GLY H 1 100 ILE H 4.300 . 5.000 3.903 3.645 4.479 . 0 0 "[ . 1 . 2 ]" 1
560 1 71 GLY QA 1 72 GLU H 3.000 . 5.000 2.216 2.179 2.294 . 0 0 "[ . 1 . 2 ]" 1
561 1 71 GLY QA 1 73 ARG H 4.300 . 6.000 5.391 5.009 5.730 . 0 0 "[ . 1 . 2 ]" 1
562 1 71 GLY QA 1 97 LYS QB 4.300 . 5.000 2.802 2.168 3.354 . 0 0 "[ . 1 . 2 ]" 1
563 1 71 GLY QA 1 97 LYS QG 4.300 . 6.000 3.320 1.803 4.436 . 0 0 "[ . 1 . 2 ]" 1
564 1 71 GLY QA 1 99 VAL H 3.000 . 5.000 3.144 2.830 3.440 . 0 0 "[ . 1 . 2 ]" 1
565 1 71 GLY QA 1 99 VAL HA 4.300 . 5.000 2.010 1.871 2.143 . 0 0 "[ . 1 . 2 ]" 1
566 1 71 GLY QA 1 99 VAL HB 3.000 . 5.000 2.688 2.321 2.972 . 0 0 "[ . 1 . 2 ]" 1
567 1 71 GLY QA 1 99 VAL QG 3.000 . 5.000 3.144 2.933 3.282 . 0 0 "[ . 1 . 2 ]" 1
568 1 71 GLY QA 1 99 VAL MG2 3.000 . 5.000 3.322 3.083 3.468 . 0 0 "[ . 1 . 2 ]" 1
569 1 72 GLU H 1 73 ARG H 3.000 . 5.000 3.923 3.587 4.248 . 0 0 "[ . 1 . 2 ]" 1
570 1 72 GLU H 1 74 THR H 4.300 . 6.000 6.234 6.115 6.269 0.269 3 0 "[ . 1 . 2 ]" 1
571 1 72 GLU H 1 96 THR H 3.000 . 5.000 5.033 4.987 5.064 0.064 13 0 "[ . 1 . 2 ]" 1
572 1 72 GLU H 1 97 LYS H 3.000 . 5.000 4.637 4.309 4.850 . 0 0 "[ . 1 . 2 ]" 1
573 1 72 GLU H 1 97 LYS HA 3.000 . 5.000 4.328 3.977 4.571 . 0 0 "[ . 1 . 2 ]" 1
574 1 72 GLU H 1 97 LYS QG 3.000 . 5.000 3.205 2.156 4.154 . 0 0 "[ . 1 . 2 ]" 1
575 1 72 GLU H 1 98 GLU H 4.300 . 6.000 3.579 2.642 4.320 . 0 0 "[ . 1 . 2 ]" 1
576 1 72 GLU H 1 99 VAL H 4.300 . 6.000 4.099 3.526 4.572 . 0 0 "[ . 1 . 2 ]" 1
577 1 72 GLU H 1 99 VAL HA 4.300 . 5.000 4.236 4.082 4.443 . 0 0 "[ . 1 . 2 ]" 1
578 1 72 GLU H 1 99 VAL HB 4.300 . 6.000 4.149 3.779 4.609 . 0 0 "[ . 1 . 2 ]" 1
579 1 72 GLU H 1 99 VAL QG 4.300 . 5.000 4.513 4.218 4.835 . 0 0 "[ . 1 . 2 ]" 1
580 1 72 GLU H 1 100 ILE H 4.300 . 6.000 6.058 6.008 6.102 0.102 20 0 "[ . 1 . 2 ]" 1
581 1 72 GLU HA 1 73 ARG H 3.000 . 3.000 2.200 2.137 2.308 . 0 0 "[ . 1 . 2 ]" 1
582 1 72 GLU QB 1 73 ARG H 4.300 . 6.000 3.391 2.959 3.843 . 0 0 "[ . 1 . 2 ]" 1
583 1 72 GLU QB 1 97 LYS H 4.300 . 6.000 5.397 4.774 6.028 0.028 14 0 "[ . 1 . 2 ]" 1
584 1 72 GLU QB 1 97 LYS QG 3.000 . 5.000 2.226 1.823 3.206 . 0 0 "[ . 1 . 2 ]" 1
585 1 72 GLU QG 1 73 ARG H 4.300 . 5.000 3.085 2.370 3.956 . 0 0 "[ . 1 . 2 ]" 1
586 1 73 ARG HA 1 95 VAL HA 4.300 . 5.000 3.125 2.548 3.448 . 0 0 "[ . 1 . 2 ]" 1
587 1 73 ARG HA 1 95 VAL QG 4.300 . 6.000 3.859 3.209 4.649 . 0 0 "[ . 1 . 2 ]" 1
588 1 73 ARG HA 1 96 THR H 3.000 . 5.000 1.816 1.785 1.954 0.015 11 0 "[ . 1 . 2 ]" 1
589 1 73 ARG HA 1 96 THR HG1 4.300 . 6.000 3.040 2.740 3.359 . 0 0 "[ . 1 . 2 ]" 1
590 1 73 ARG HA 1 97 LYS H 4.300 . 6.000 4.748 4.437 4.982 . 0 0 "[ . 1 . 2 ]" 1
591 1 73 ARG QD 1 74 THR H 4.300 . 6.000 4.863 4.361 5.170 . 0 0 "[ . 1 . 2 ]" 1
592 1 73 ARG QD 1 75 HIS HD1 4.300 . 6.000 3.784 3.443 4.682 . 0 0 "[ . 1 . 2 ]" 1
593 1 73 ARG QD 1 93 SER QB 4.300 . 5.000 3.457 2.626 4.498 . 0 0 "[ . 1 . 2 ]" 1
594 1 73 ARG HE 1 93 SER QB 4.300 . 6.000 4.740 2.190 6.006 0.006 2 0 "[ . 1 . 2 ]" 1
595 1 73 ARG QG 1 74 THR H 4.300 . 6.000 3.106 2.683 3.245 . 0 0 "[ . 1 . 2 ]" 1
596 1 73 ARG QG 1 75 HIS HD1 4.300 . 6.000 2.571 1.981 3.149 . 0 0 "[ . 1 . 2 ]" 1
597 1 73 ARG QG 1 93 SER QB 4.300 . 5.000 2.817 2.572 3.099 . 0 0 "[ . 1 . 2 ]" 1
598 1 74 THR H 1 75 HIS H 3.000 . 5.000 4.517 4.447 4.594 . 0 0 "[ . 1 . 2 ]" 1
599 1 74 THR H 1 93 SER HA 4.300 . 6.000 6.133 6.059 6.194 0.194 18 0 "[ . 1 . 2 ]" 1
600 1 74 THR H 1 95 VAL HA 4.300 . 5.000 4.213 3.803 4.466 . 0 0 "[ . 1 . 2 ]" 1
601 1 74 THR H 1 96 THR H 3.000 . 5.000 2.667 2.362 2.900 . 0 0 "[ . 1 . 2 ]" 1
602 1 74 THR H 1 96 THR HG1 4.300 . 6.000 2.139 1.973 2.373 . 0 0 "[ . 1 . 2 ]" 1
603 1 74 THR H 1 96 THR MG 3.000 . 5.000 2.240 2.056 2.570 . 0 0 "[ . 1 . 2 ]" 1
604 1 74 THR H 1 97 LYS H 4.300 . 6.000 5.766 5.639 5.946 . 0 0 "[ . 1 . 2 ]" 1
605 1 74 THR HA 1 76 TYR QE 4.300 . 6.000 4.261 4.022 4.650 . 0 0 "[ . 1 . 2 ]" 1
606 1 74 THR HB 1 76 TYR QE 4.300 . 6.000 2.167 1.874 2.675 . 0 0 "[ . 1 . 2 ]" 1
607 1 74 THR HB 1 96 THR MG 3.000 . 5.000 1.998 1.808 2.420 . 0 0 "[ . 1 . 2 ]" 1
608 1 74 THR HG1 1 75 HIS H 3.000 . 5.000 2.391 2.057 2.653 . 0 0 "[ . 1 . 2 ]" 1
609 1 74 THR HG1 1 76 TYR QD 4.300 . 6.000 2.575 2.436 2.741 . 0 0 "[ . 1 . 2 ]" 1
610 1 74 THR HG1 1 76 TYR QE 3.000 . 5.000 2.576 2.320 2.808 . 0 0 "[ . 1 . 2 ]" 1
611 1 74 THR HG1 1 96 THR H 3.000 . 5.000 4.542 3.799 5.011 0.011 20 0 "[ . 1 . 2 ]" 1
612 1 74 THR HG1 1 96 THR MG 3.000 . 5.000 2.555 2.120 3.419 . 0 0 "[ . 1 . 2 ]" 1
613 1 74 THR MG 1 75 HIS HD1 3.000 . 5.000 4.687 4.641 4.742 . 0 0 "[ . 1 . 2 ]" 1
614 1 74 THR MG 1 76 TYR H 4.300 . 6.000 4.170 3.863 4.419 . 0 0 "[ . 1 . 2 ]" 1
615 1 74 THR MG 1 76 TYR QD 2.200 . 3.000 2.578 2.438 2.746 . 0 0 "[ . 1 . 2 ]" 1
616 1 74 THR MG 1 76 TYR QE 2.200 . 3.000 2.596 2.336 2.829 . 0 0 "[ . 1 . 2 ]" 1
617 1 74 THR MG 1 94 GLN H 4.300 . 6.000 4.954 4.524 5.319 . 0 0 "[ . 1 . 2 ]" 1
618 1 74 THR MG 1 96 THR HG1 3.000 . 5.000 3.340 3.193 3.660 . 0 0 "[ . 1 . 2 ]" 1
619 1 75 HIS HA 1 76 TYR H 3.000 . 5.000 2.015 1.989 2.057 . 0 0 "[ . 1 . 2 ]" 1
620 1 75 HIS HA 1 76 TYR QD 3.000 . 5.000 2.916 2.617 3.176 . 0 0 "[ . 1 . 2 ]" 1
621 1 75 HIS HA 1 76 TYR QE 4.300 . 6.000 3.664 3.514 3.848 . 0 0 "[ . 1 . 2 ]" 1
622 1 75 HIS HA 1 93 SER HA 3.000 . 5.000 3.336 2.926 3.566 . 0 0 "[ . 1 . 2 ]" 1
623 1 75 HIS HA 1 93 SER QB 4.300 . 6.000 1.769 1.750 1.788 0.050 2 0 "[ . 1 . 2 ]" 1
624 1 75 HIS HA 1 94 GLN H 3.000 . 5.000 4.297 3.781 4.765 . 0 0 "[ . 1 . 2 ]" 1
625 1 75 HIS QB 1 76 TYR H 4.300 . 5.000 3.414 3.335 3.479 . 0 0 "[ . 1 . 2 ]" 1
626 1 75 HIS QB 1 77 ILE HG12 4.300 . 6.000 4.444 3.697 4.681 . 0 0 "[ . 1 . 2 ]" 1
627 1 75 HIS QB 1 77 ILE QG 4.300 . 6.000 3.437 2.644 3.897 . 0 0 "[ . 1 . 2 ]" 1
628 1 75 HIS QB 1 77 ILE HG13 3.000 . 5.000 3.645 2.719 4.290 . 0 0 "[ . 1 . 2 ]" 1
629 1 75 HIS HD1 1 77 ILE MD 4.300 . 6.000 4.351 3.803 4.952 . 0 0 "[ . 1 . 2 ]" 1
630 1 75 HIS HD1 1 93 SER H 4.300 . 6.000 4.854 4.606 5.327 . 0 0 "[ . 1 . 2 ]" 1
631 1 75 HIS HD1 1 93 SER HA 4.300 . 6.000 4.896 4.561 5.102 . 0 0 "[ . 1 . 2 ]" 1
632 1 75 HIS HD1 1 96 THR HG1 4.300 . 6.000 5.353 5.126 5.591 . 0 0 "[ . 1 . 2 ]" 1
633 1 76 TYR H 1 77 ILE MD 4.300 . 6.000 3.918 3.397 5.605 . 0 0 "[ . 1 . 2 ]" 1
634 1 76 TYR H 1 91 LEU H 4.300 . 6.000 4.902 4.551 5.290 . 0 0 "[ . 1 . 2 ]" 1
635 1 76 TYR H 1 92 ASP H 3.000 . 5.000 4.109 3.739 4.709 . 0 0 "[ . 1 . 2 ]" 1
636 1 76 TYR H 1 93 SER HA 3.000 . 5.000 2.833 2.625 3.068 . 0 0 "[ . 1 . 2 ]" 1
637 1 76 TYR QB 1 91 LEU QB 4.300 . 6.000 3.970 3.364 6.012 0.012 7 0 "[ . 1 . 2 ]" 1
638 1 76 TYR QB 1 91 LEU QD 3.000 . 5.000 4.758 4.261 5.010 0.010 2 0 "[ . 1 . 2 ]" 1
639 1 76 TYR QB 1 92 ASP H 4.300 . 6.000 3.229 2.956 3.935 . 0 0 "[ . 1 . 2 ]" 1
640 1 76 TYR QB 1 92 ASP QB 4.300 . 6.000 3.506 3.085 3.734 . 0 0 "[ . 1 . 2 ]" 1
641 1 76 TYR QB 1 93 SER HA 4.300 . 6.000 3.922 3.812 4.098 . 0 0 "[ . 1 . 2 ]" 1
642 1 76 TYR QD 1 92 ASP H 3.000 . 5.000 4.513 4.298 5.012 0.012 13 0 "[ . 1 . 2 ]" 1
643 1 76 TYR QD 1 92 ASP QB 2.200 . 3.000 3.035 3.000 3.058 0.058 1 0 "[ . 1 . 2 ]" 1
644 1 76 TYR QD 1 93 SER HA 2.200 . 3.000 3.086 3.017 3.136 0.136 13 0 "[ . 1 . 2 ]" 1
645 1 76 TYR QD 1 93 SER QB 4.300 . 6.000 3.446 3.257 3.551 . 0 0 "[ . 1 . 2 ]" 1
646 1 76 TYR QD 1 94 GLN H 3.000 . 5.000 4.121 3.955 4.302 . 0 0 "[ . 1 . 2 ]" 1
647 1 76 TYR QD 1 94 GLN QG 3.000 . 5.000 4.930 4.695 5.080 0.080 12 0 "[ . 1 . 2 ]" 1
648 1 76 TYR QE 1 92 ASP QB 3.000 . 5.000 4.190 3.991 4.575 . 0 0 "[ . 1 . 2 ]" 1
649 1 76 TYR QE 1 93 SER H 4.300 . 6.000 4.923 4.768 5.180 . 0 0 "[ . 1 . 2 ]" 1
650 1 76 TYR QE 1 93 SER HA 3.000 . 5.000 2.883 2.813 3.031 . 0 0 "[ . 1 . 2 ]" 1
651 1 76 TYR QE 1 93 SER QB 3.000 . 3.000 3.250 3.210 3.295 0.295 2 0 "[ . 1 . 2 ]" 1
652 1 76 TYR QE 1 94 GLN H 3.000 . 5.000 2.659 2.362 2.894 . 0 0 "[ . 1 . 2 ]" 1
653 1 76 TYR QE 1 94 GLN QB 2.200 . 3.000 3.045 3.016 3.080 0.080 19 0 "[ . 1 . 2 ]" 1
654 1 76 TYR QE 1 94 GLN QG 2.200 . 3.000 3.019 2.926 3.079 0.079 8 0 "[ . 1 . 2 ]" 1
655 1 76 TYR QE 1 96 THR HG1 3.000 . 5.000 2.990 2.945 3.047 . 0 0 "[ . 1 . 2 ]" 1
656 1 76 TYR QE 1 96 THR MG 2.200 . 3.000 3.001 2.969 3.055 0.055 14 0 "[ . 1 . 2 ]" 1
657 1 77 ILE HA 1 91 LEU H 3.000 . 5.000 2.767 2.122 3.358 . 0 0 "[ . 1 . 2 ]" 1
658 1 77 ILE MD 1 91 LEU H 4.300 . 5.000 4.572 4.036 5.040 0.040 2 0 "[ . 1 . 2 ]" 1
659 1 77 ILE QG 1 78 SER QB 4.300 . 6.000 3.648 3.395 4.039 . 0 0 "[ . 1 . 2 ]" 1
660 1 77 ILE QG 1 79 VAL H 4.300 . 6.000 4.068 3.580 4.457 . 0 0 "[ . 1 . 2 ]" 1
661 1 77 ILE QG 1 88 GLU HA 4.300 . 6.000 2.132 1.901 2.663 . 0 0 "[ . 1 . 2 ]" 1
662 1 77 ILE QG 1 88 GLU QB 3.000 . 5.000 2.319 1.807 3.254 . 0 0 "[ . 1 . 2 ]" 1
663 1 77 ILE QG 1 88 GLU QG 3.000 . 5.000 3.331 1.965 4.102 . 0 0 "[ . 1 . 2 ]" 1
664 1 77 ILE QG 1 89 THR MG 3.000 . 5.000 3.765 2.793 4.167 . 0 0 "[ . 1 . 2 ]" 1
665 1 77 ILE QG 1 90 VAL HA 3.000 . 5.000 2.408 1.920 2.838 . 0 0 "[ . 1 . 2 ]" 1
666 1 77 ILE QG 1 91 LEU H 4.300 . 6.000 3.532 3.031 4.295 . 0 0 "[ . 1 . 2 ]" 1
667 1 77 ILE HG12 1 90 VAL HA 4.300 . 6.000 3.861 2.171 4.454 . 0 0 "[ . 1 . 2 ]" 1
668 1 77 ILE MG 1 79 VAL H 3.000 . 5.000 4.102 3.597 4.507 . 0 0 "[ . 1 . 2 ]" 1
669 1 77 ILE MG 1 89 THR H 3.000 . 5.000 2.020 1.881 2.567 . 0 0 "[ . 1 . 2 ]" 1
670 1 78 SER H 1 79 VAL H 3.000 . 5.000 4.336 4.088 4.479 . 0 0 "[ . 1 . 2 ]" 1
671 1 78 SER H 1 91 LEU H 3.000 . 5.000 4.077 3.338 4.914 . 0 0 "[ . 1 . 2 ]" 1
672 1 78 SER H 1 91 LEU QD 4.300 . 6.000 3.083 1.946 3.612 . 0 0 "[ . 1 . 2 ]" 1
673 1 78 SER HA 1 79 VAL H 3.000 . 3.000 2.152 2.138 2.197 . 0 0 "[ . 1 . 2 ]" 1
674 1 78 SER HA 1 79 VAL HB 4.300 . 6.000 5.080 4.530 5.732 . 0 0 "[ . 1 . 2 ]" 1
675 1 78 SER QB 1 79 VAL H 4.300 . 5.000 3.589 3.192 3.932 . 0 0 "[ . 1 . 2 ]" 1
676 1 78 SER QB 1 89 THR HB 3.000 . 5.000 4.284 3.012 5.001 0.001 6 0 "[ . 1 . 2 ]" 1
677 1 78 SER QB 1 89 THR HG1 3.000 . 5.000 3.867 2.269 4.635 . 0 0 "[ . 1 . 2 ]" 1
678 1 78 SER QB 1 89 THR MG 3.000 . 5.000 3.958 2.275 4.685 . 0 0 "[ . 1 . 2 ]" 1
679 1 78 SER QB 1 91 LEU QD 3.000 . 5.000 1.949 1.794 2.496 0.006 2 0 "[ . 1 . 2 ]" 1
680 1 78 SER QB 1 91 LEU HG 3.000 . 5.000 3.017 1.844 4.969 . 0 0 "[ . 1 . 2 ]" 1
681 1 79 VAL H 1 80 LEU H 3.000 . 5.000 4.298 4.133 4.483 . 0 0 "[ . 1 . 2 ]" 1
682 1 79 VAL HA 1 80 LEU H 2.200 . 3.000 2.171 2.139 2.201 . 0 0 "[ . 1 . 2 ]" 1
683 1 79 VAL HA 1 87 THR H 3.000 . 5.000 4.267 3.726 4.942 . 0 0 "[ . 1 . 2 ]" 1
684 1 79 VAL HA 1 89 THR H 3.000 . 5.000 4.655 3.635 5.006 0.006 3 0 "[ . 1 . 2 ]" 1
685 1 79 VAL HB 1 80 LEU H 3.000 . 5.000 4.141 3.648 4.461 . 0 0 "[ . 1 . 2 ]" 1
686 1 80 LEU H 1 81 THR H 3.000 . 5.000 4.216 3.771 4.520 . 0 0 "[ . 1 . 2 ]" 1
687 1 80 LEU H 1 86 THR HA 3.000 . 5.000 4.108 3.532 4.641 . 0 0 "[ . 1 . 2 ]" 1
688 1 80 LEU H 1 86 THR HB 4.300 . 6.000 5.398 4.145 6.003 0.003 20 0 "[ . 1 . 2 ]" 1
689 1 80 LEU H 1 86 THR MG 3.000 . 5.000 3.866 2.881 4.717 . 0 0 "[ . 1 . 2 ]" 1
690 1 80 LEU H 1 87 THR H 3.000 . 5.000 3.151 2.743 4.146 . 0 0 "[ . 1 . 2 ]" 1
691 1 80 LEU H 1 87 THR HA 4.300 . 6.000 5.371 4.881 5.943 . 0 0 "[ . 1 . 2 ]" 1
692 1 80 LEU H 1 87 THR HB 3.000 . 5.000 4.250 2.857 5.000 . 0 0 "[ . 1 . 2 ]" 1
693 1 80 LEU H 1 88 GLU HA 3.000 . 5.000 4.878 4.352 5.004 0.004 20 0 "[ . 1 . 2 ]" 1
694 1 80 LEU H 1 89 THR H 3.000 . 5.000 4.988 4.723 5.002 0.002 21 0 "[ . 1 . 2 ]" 1
695 1 80 LEU QB 1 81 THR H 4.300 . 5.000 3.677 3.046 3.996 . 0 0 "[ . 1 . 2 ]" 1
696 1 80 LEU QB 1 87 THR H 4.300 . 5.000 3.826 3.245 4.739 . 0 0 "[ . 1 . 2 ]" 1
697 1 80 LEU QB 1 87 THR HB 4.300 . 5.000 3.794 2.009 5.001 0.001 1 0 "[ . 1 . 2 ]" 1
698 1 80 LEU QD 1 81 THR H 4.300 . 5.000 3.117 1.936 4.347 . 0 0 "[ . 1 . 2 ]" 1
699 1 80 LEU HG 1 81 THR H 4.300 . 6.000 4.250 2.197 5.729 . 0 0 "[ . 1 . 2 ]" 1
700 1 81 THR H 1 87 THR H 4.300 . 6.000 5.244 4.573 5.921 . 0 0 "[ . 1 . 2 ]" 1
701 1 81 THR HA 1 82 GLU H 3.000 . 3.000 2.180 2.139 2.246 . 0 0 "[ . 1 . 2 ]" 1
702 1 81 THR HA 1 85 LYS H 3.000 . 5.000 3.384 2.724 3.960 . 0 0 "[ . 1 . 2 ]" 1
703 1 81 THR HA 1 87 THR H 3.000 . 5.000 3.989 3.020 4.773 . 0 0 "[ . 1 . 2 ]" 1
704 1 81 THR HB 1 82 GLU H 3.000 . 5.000 4.011 3.197 4.434 . 0 0 "[ . 1 . 2 ]" 1
705 1 81 THR HB 1 85 LYS H 3.000 . 5.000 4.498 3.062 5.002 0.002 1 0 "[ . 1 . 2 ]" 1
706 1 81 THR MG 1 82 GLU H 3.000 . 5.000 3.394 2.187 4.159 . 0 0 "[ . 1 . 2 ]" 1
707 1 81 THR MG 1 84 GLY H 3.000 . 5.000 3.547 2.255 4.606 . 0 0 "[ . 1 . 2 ]" 1
708 1 81 THR MG 1 84 GLY QA 3.000 . 5.000 3.275 2.514 4.585 . 0 0 "[ . 1 . 2 ]" 1
709 1 81 THR MG 1 85 LYS H 3.000 . 5.000 3.102 1.970 4.477 . 0 0 "[ . 1 . 2 ]" 1
710 1 82 GLU H 1 85 LYS H 3.000 . 5.000 2.598 2.194 3.443 . 0 0 "[ . 1 . 2 ]" 1
711 1 82 GLU H 1 85 LYS QG 4.300 . 6.000 4.768 1.987 5.519 . 0 0 "[ . 1 . 2 ]" 1
712 1 82 GLU H 1 86 THR H 4.300 . 6.000 4.929 4.546 5.403 . 0 0 "[ . 1 . 2 ]" 1
713 1 82 GLU H 1 87 THR H 3.000 . 5.000 4.409 3.425 5.002 0.002 11 0 "[ . 1 . 2 ]" 1
714 1 82 GLU HA 1 85 LYS H 3.000 . 5.000 4.381 4.197 4.633 . 0 0 "[ . 1 . 2 ]" 1
715 1 82 GLU QB 1 87 THR H 4.300 . 6.000 5.000 3.547 5.847 . 0 0 "[ . 1 . 2 ]" 1
716 1 82 GLU QG 1 83 ASN QD 4.300 . 6.000 4.021 2.223 5.576 . 0 0 "[ . 1 . 2 ]" 1
717 1 82 GLU QG 1 83 ASN HD22 4.300 . 6.000 4.849 2.946 6.001 0.001 20 0 "[ . 1 . 2 ]" 1
718 1 83 ASN HA 1 84 GLY H 3.000 . 5.000 2.914 2.733 3.569 . 0 0 "[ . 1 . 2 ]" 1
719 1 83 ASN HA 1 85 LYS H 3.000 . 5.000 4.900 4.606 5.004 0.004 11 0 "[ . 1 . 2 ]" 1
720 1 83 ASN QB 1 84 GLY H 3.000 . 5.000 3.752 1.968 4.052 . 0 0 "[ . 1 . 2 ]" 1
721 1 83 ASN QB 1 85 LYS H 4.300 . 6.000 4.471 3.822 5.434 . 0 0 "[ . 1 . 2 ]" 1
722 1 84 GLY H 1 85 LYS H 3.000 . 5.000 2.492 2.257 2.746 . 0 0 "[ . 1 . 2 ]" 1
723 1 84 GLY H 1 85 LYS QB 4.300 . 6.000 4.386 3.448 5.011 . 0 0 "[ . 1 . 2 ]" 1
724 1 84 GLY QA 1 85 LYS H 4.300 . 5.000 2.711 2.638 2.814 . 0 0 "[ . 1 . 2 ]" 1
725 1 85 LYS H 1 86 THR H 3.000 . 5.000 4.124 3.788 4.463 . 0 0 "[ . 1 . 2 ]" 1
726 1 85 LYS H 1 87 THR H 4.300 . 6.000 5.875 5.115 6.002 0.002 16 0 "[ . 1 . 2 ]" 1
727 1 85 LYS HA 1 86 THR H 3.000 . 5.000 2.208 2.139 2.435 . 0 0 "[ . 1 . 2 ]" 1
728 1 86 THR H 1 87 THR H 3.000 . 5.000 4.360 3.954 4.544 . 0 0 "[ . 1 . 2 ]" 1
729 1 86 THR HA 1 87 THR H 3.000 . 3.000 2.155 2.138 2.253 . 0 0 "[ . 1 . 2 ]" 1
730 1 87 THR H 1 88 GLU H 3.000 . 5.000 4.468 4.103 4.624 . 0 0 "[ . 1 . 2 ]" 1
731 1 88 GLU HA 1 89 THR H 2.200 . 3.000 2.185 2.136 2.301 . 0 0 "[ . 1 . 2 ]" 1
732 1 88 GLU QB 1 89 THR H 3.000 . 5.000 3.590 3.275 3.911 . 0 0 "[ . 1 . 2 ]" 1
733 1 88 GLU QG 1 89 THR H 3.000 . 5.000 4.398 3.549 4.930 . 0 0 "[ . 1 . 2 ]" 1
734 1 89 THR HA 1 90 VAL H 2.200 . 3.000 2.150 2.143 2.187 . 0 0 "[ . 1 . 2 ]" 1
735 1 89 THR HB 1 91 LEU QD 3.000 . 5.000 3.878 3.132 5.004 0.004 19 0 "[ . 1 . 2 ]" 1
736 1 89 THR HG1 1 90 VAL H 3.000 . 5.000 2.933 2.620 3.692 . 0 0 "[ . 1 . 2 ]" 1
737 1 89 THR HG1 1 91 LEU H 4.300 . 6.000 4.823 4.352 5.168 . 0 0 "[ . 1 . 2 ]" 1
738 1 89 THR HG1 1 91 LEU HA 3.000 . 5.000 4.240 3.999 4.628 . 0 0 "[ . 1 . 2 ]" 1
739 1 89 THR HG1 1 91 LEU QD 2.200 . 3.000 2.755 2.392 2.901 . 0 0 "[ . 1 . 2 ]" 1
740 1 89 THR MG 1 90 VAL H 3.000 . 5.000 3.086 2.636 4.073 . 0 0 "[ . 1 . 2 ]" 1
741 1 89 THR MG 1 91 LEU H 4.300 . 6.000 4.887 4.580 5.209 . 0 0 "[ . 1 . 2 ]" 1
742 1 89 THR MG 1 91 LEU HA 3.000 . 5.000 4.285 4.028 4.739 . 0 0 "[ . 1 . 2 ]" 1
743 1 89 THR MG 1 91 LEU QD 2.200 . 3.000 2.768 2.397 2.910 . 0 0 "[ . 1 . 2 ]" 1
744 1 90 VAL H 1 91 LEU H 4.300 . 6.000 4.561 4.454 4.648 . 0 0 "[ . 1 . 2 ]" 1
745 1 90 VAL HA 1 92 ASP H 4.300 . 5.000 4.420 3.692 5.017 0.017 2 0 "[ . 1 . 2 ]" 1
746 1 91 LEU H 1 92 ASP H 3.000 . 5.000 2.385 1.923 2.891 . 0 0 "[ . 1 . 2 ]" 1
747 1 91 LEU H 1 93 SER H 4.300 . 6.000 5.797 5.183 6.006 0.006 3 0 "[ . 1 . 2 ]" 1
748 1 91 LEU HA 1 92 ASP H 3.000 . 5.000 3.555 3.270 3.577 . 0 0 "[ . 1 . 2 ]" 1
749 1 91 LEU QB 1 92 ASP H 3.000 . 5.000 2.282 1.966 3.826 . 0 0 "[ . 1 . 2 ]" 1
750 1 91 LEU QD 1 92 ASP H 3.000 . 5.000 3.630 3.102 3.943 . 0 0 "[ . 1 . 2 ]" 1
751 1 91 LEU HG 1 92 ASP H 4.300 . 6.000 4.512 3.270 4.931 . 0 0 "[ . 1 . 2 ]" 1
752 1 92 ASP H 1 93 SER H 3.000 . 5.000 4.214 3.821 4.365 . 0 0 "[ . 1 . 2 ]" 1
753 1 92 ASP H 1 93 SER HA 4.300 . 6.000 4.860 4.751 5.147 . 0 0 "[ . 1 . 2 ]" 1
754 1 92 ASP H 1 93 SER QB 4.300 . 6.000 4.638 3.885 5.511 . 0 0 "[ . 1 . 2 ]" 1
755 1 92 ASP HA 1 93 SER H 2.200 . 3.000 2.184 2.131 2.225 . 0 0 "[ . 1 . 2 ]" 1
756 1 92 ASP QB 1 93 SER H 4.300 . 5.000 3.474 2.897 3.853 . 0 0 "[ . 1 . 2 ]" 1
757 1 93 SER H 1 94 GLN H 3.000 . 5.000 4.331 4.122 4.380 . 0 0 "[ . 1 . 2 ]" 1
758 1 93 SER HA 1 94 GLN H 3.000 . 3.000 2.240 2.106 2.353 . 0 0 "[ . 1 . 2 ]" 1
759 1 93 SER HA 1 94 GLN QG 4.300 . 6.000 4.248 3.788 4.509 . 0 0 "[ . 1 . 2 ]" 1
760 1 93 SER QB 1 94 GLN H 3.000 . 5.000 2.664 2.315 3.205 . 0 0 "[ . 1 . 2 ]" 1
761 1 94 GLN H 1 96 THR MG 3.000 . 5.000 3.563 3.389 3.798 . 0 0 "[ . 1 . 2 ]" 1
762 1 94 GLN QB 1 96 THR HG1 3.000 . 5.000 2.928 2.422 3.595 . 0 0 "[ . 1 . 2 ]" 1
763 1 94 GLN QB 1 96 THR MG 3.000 . 5.000 2.933 2.424 3.603 . 0 0 "[ . 1 . 2 ]" 1
764 1 94 GLN HE22 1 95 VAL H 4.300 . 6.000 5.096 3.631 5.972 . 0 0 "[ . 1 . 2 ]" 1
765 1 94 GLN QG 1 96 THR HG1 3.000 . 5.000 3.926 1.745 4.715 0.055 8 0 "[ . 1 . 2 ]" 1
766 1 94 GLN QG 1 96 THR MG 4.300 . 6.000 3.940 1.746 4.736 0.054 8 0 "[ . 1 . 2 ]" 1
767 1 95 VAL H 1 96 THR H 4.300 . 6.000 4.281 4.232 4.413 . 0 0 "[ . 1 . 2 ]" 1
768 1 95 VAL H 1 97 LYS H 4.300 . 6.000 6.049 5.954 6.087 0.087 11 0 "[ . 1 . 2 ]" 1
769 1 95 VAL HA 1 96 THR H 3.000 . 5.000 2.149 2.123 2.173 . 0 0 "[ . 1 . 2 ]" 1
770 1 95 VAL HA 1 97 LYS H 3.000 . 5.000 4.728 4.523 4.776 . 0 0 "[ . 1 . 2 ]" 1
771 1 95 VAL HB 1 96 THR H 3.000 . 5.000 4.224 3.690 4.439 . 0 0 "[ . 1 . 2 ]" 1
772 1 95 VAL QG 1 96 THR H 3.000 . 5.000 3.168 2.864 3.682 . 0 0 "[ . 1 . 2 ]" 1
773 1 96 THR H 1 97 LYS H 3.000 . 5.000 3.644 3.438 3.718 . 0 0 "[ . 1 . 2 ]" 1
774 1 96 THR HG1 1 97 LYS H 3.000 . 5.000 3.983 3.894 4.190 . 0 0 "[ . 1 . 2 ]" 1
775 1 97 LYS QG 1 98 GLU H 3.000 . 5.000 4.300 3.519 4.697 . 0 0 "[ . 1 . 2 ]" 1
776 1 98 GLU HA 1 99 VAL H 2.200 . 3.000 2.159 2.132 2.190 . 0 0 "[ . 1 . 2 ]" 1
777 1 99 VAL HA 1 100 ILE H 3.000 . 3.000 2.132 2.101 2.159 . 0 0 "[ . 1 . 2 ]" 1
778 1 99 VAL HA 1 100 ILE HB 4.300 . 6.000 4.667 4.570 4.741 . 0 0 "[ . 1 . 2 ]" 1
779 1 99 VAL HA 1 100 ILE QG 4.300 . 6.000 3.915 3.492 4.363 . 0 0 "[ . 1 . 2 ]" 1
780 1 99 VAL HA 1 101 ASN H 4.300 . 6.000 5.895 5.576 6.006 0.006 5 0 "[ . 1 . 2 ]" 1
781 1 99 VAL HB 1 100 ILE H 3.000 . 5.000 4.367 4.151 4.452 . 0 0 "[ . 1 . 2 ]" 1
782 1 99 VAL QG 1 100 ILE H 3.000 . 5.000 2.846 2.607 3.009 . 0 0 "[ . 1 . 2 ]" 1
783 1 99 VAL QG 1 101 ASN HD22 4.300 . 6.000 4.034 3.777 4.467 . 0 0 "[ . 1 . 2 ]" 1
784 1 99 VAL MG1 1 101 ASN QD 4.300 . 6.000 4.148 3.821 4.572 . 0 0 "[ . 1 . 2 ]" 1
785 1 99 VAL MG1 1 101 ASN HD22 4.300 . 6.000 4.307 3.987 4.772 . 0 0 "[ . 1 . 2 ]" 1
786 1 100 ILE H 1 101 ASN H 3.000 . 5.000 4.523 4.362 4.574 . 0 0 "[ . 1 . 2 ]" 1
787 1 100 ILE HA 1 101 ASN H 3.000 . 5.000 2.148 2.117 2.161 . 0 0 "[ . 1 . 2 ]" 1
788 1 100 ILE MD 1 101 ASN H 3.000 . 5.000 4.404 3.573 5.067 0.067 2 0 "[ . 1 . 2 ]" 1
789 1 100 ILE QG 1 101 ASN H 3.000 . 5.000 2.590 2.256 3.026 . 0 0 "[ . 1 . 2 ]" 1
790 1 101 ASN H 1 102 GLN H 4.300 . 5.000 4.532 4.450 4.575 . 0 0 "[ . 1 . 2 ]" 1
791 1 101 ASN HA 1 102 GLN H 3.000 . 5.000 2.199 2.150 2.383 . 0 0 "[ . 1 . 2 ]" 1
792 1 101 ASN QB 1 102 GLN H 3.000 . 5.000 3.028 2.440 3.292 . 0 0 "[ . 1 . 2 ]" 1
793 1 101 ASN QD 1 102 GLN H 4.300 . 6.000 4.502 3.495 5.187 . 0 0 "[ . 1 . 2 ]" 1
794 1 101 ASN HD22 1 102 GLN H 4.300 . 6.000 5.594 4.892 5.992 . 0 0 "[ . 1 . 2 ]" 1
795 1 102 GLN H 1 103 VAL H 3.000 . 5.000 4.399 4.247 4.629 . 0 0 "[ . 1 . 2 ]" 1
796 1 102 GLN HA 1 103 VAL H 3.000 . 5.000 2.183 2.138 2.275 . 0 0 "[ . 1 . 2 ]" 1
797 1 102 GLN QB 1 103 VAL H 3.000 . 5.000 3.806 3.468 3.976 . 0 0 "[ . 1 . 2 ]" 1
798 1 102 GLN QG 1 103 VAL H 3.000 . 5.000 3.101 1.979 4.329 . 0 0 "[ . 1 . 2 ]" 1
799 1 103 VAL H 1 104 VAL H 4.300 . 6.000 4.146 3.909 4.408 . 0 0 "[ . 1 . 2 ]" 1
800 1 103 VAL HA 1 104 VAL H 2.200 . 3.000 2.181 2.139 2.195 . 0 0 "[ . 1 . 2 ]" 1
801 1 103 VAL QG 1 104 VAL H 3.000 . 5.000 3.152 2.668 3.697 . 0 0 "[ . 1 . 2 ]" 1
802 1 104 VAL H 1 105 GLU HA 4.300 . 6.000 4.836 4.676 4.942 . 0 0 "[ . 1 . 2 ]" 1
803 1 105 GLU H 1 106 VAL H 3.000 . 5.000 4.323 4.032 4.559 . 0 0 "[ . 1 . 2 ]" 1
804 1 105 GLU HA 1 106 VAL H 2.200 . 3.000 2.168 2.141 2.319 . 0 0 "[ . 1 . 2 ]" 1
805 1 105 GLU QB 1 106 VAL H 3.000 . 5.000 3.311 2.620 3.503 . 0 0 "[ . 1 . 2 ]" 1
806 1 105 GLU QG 1 106 VAL H 3.000 . 5.000 4.507 3.992 4.889 . 0 0 "[ . 1 . 2 ]" 1
807 1 106 VAL HA 1 107 GLY H 2.200 . 3.000 2.205 2.145 2.369 . 0 0 "[ . 1 . 2 ]" 1
808 1 106 VAL HA 1 107 GLY QA 4.300 . 6.000 3.901 3.890 3.928 . 0 0 "[ . 1 . 2 ]" 1
809 1 106 VAL HB 1 107 GLY H 3.000 . 5.000 3.744 2.467 4.303 . 0 0 "[ . 1 . 2 ]" 1
810 1 107 GLY H 1 108 ALA H 3.000 . 5.000 4.539 4.134 4.636 . 0 0 "[ . 1 . 2 ]" 1
811 1 107 GLY QA 1 108 ALA H 2.200 . 3.000 2.147 2.109 2.258 . 0 0 "[ . 1 . 2 ]" 1
812 1 108 ALA H 1 109 PRO QD 3.000 . 5.000 3.787 2.189 4.414 . 0 0 "[ . 1 . 2 ]" 1
813 1 108 ALA HA 1 109 PRO QD 3.000 . 3.000 2.056 1.831 2.311 . 0 0 "[ . 1 . 2 ]" 1
814 1 108 ALA MB 1 109 PRO QD 3.000 . 5.000 2.710 1.963 3.575 . 0 0 "[ . 1 . 2 ]" 1
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