NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650471 |
6wa5   |
30740 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6wa5
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 414
_Distance_constraint_stats_list.Viol_count 688
_Distance_constraint_stats_list.Viol_total 165.449
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0120
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 SER 0.025 0.025 3 0 "[ . 1 . 2]"
1 6 ARG 0.137 0.029 7 0 "[ . 1 . 2]"
1 7 ASP 0.139 0.029 7 0 "[ . 1 . 2]"
1 8 TRP 0.941 0.132 10 0 "[ . 1 . 2]"
1 9 LYS 0.128 0.024 7 0 "[ . 1 . 2]"
1 10 MET 0.023 0.008 17 0 "[ . 1 . 2]"
1 11 ALA 0.185 0.034 3 0 "[ . 1 . 2]"
1 12 ILE 0.247 0.034 3 0 "[ . 1 . 2]"
1 13 LYS 0.075 0.013 9 0 "[ . 1 . 2]"
1 14 ARG 0.057 0.013 9 0 "[ . 1 . 2]"
1 15 CYS 0.026 0.012 20 0 "[ . 1 . 2]"
1 16 SER 0.023 0.013 9 0 "[ . 1 . 2]"
1 17 ASN 0.067 0.012 13 0 "[ . 1 . 2]"
1 18 VAL 0.068 0.012 13 0 "[ . 1 . 2]"
1 19 ALA 0.020 0.005 7 0 "[ . 1 . 2]"
1 20 VAL 0.016 0.010 1 0 "[ . 1 . 2]"
1 21 GLY 0.091 0.065 18 0 "[ . 1 . 2]"
1 22 VAL 0.187 0.065 18 0 "[ . 1 . 2]"
1 23 GLY 0.111 0.028 3 0 "[ . 1 . 2]"
1 27 LYS 0.020 0.020 10 0 "[ . 1 . 2]"
1 28 LYS 0.020 0.020 10 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.033 0.012 3 0 "[ . 1 . 2]"
1 31 GLU 0.071 0.012 3 0 "[ . 1 . 2]"
1 32 GLY 0.052 0.031 3 0 "[ . 1 . 2]"
1 33 ASN 0.156 0.031 3 0 "[ . 1 . 2]"
1 34 PHE 0.168 0.029 10 0 "[ . 1 . 2]"
1 35 ARG 0.096 0.030 2 0 "[ . 1 . 2]"
1 36 TRP 0.563 0.036 19 0 "[ . 1 . 2]"
1 37 ALA 0.139 0.028 19 0 "[ . 1 . 2]"
1 38 ILE 0.305 0.035 13 0 "[ . 1 . 2]"
1 39 ARG 0.270 0.035 13 0 "[ . 1 . 2]"
1 40 MET 0.229 0.024 16 0 "[ . 1 . 2]"
1 41 ALA 0.021 0.007 9 0 "[ . 1 . 2]"
1 42 ASN 0.073 0.011 15 0 "[ . 1 . 2]"
1 43 VAL 0.204 0.024 16 0 "[ . 1 . 2]"
1 44 SER 0.011 0.007 20 0 "[ . 1 . 2]"
1 45 THR 0.014 0.009 13 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ARG 0.185 0.071 16 0 "[ . 1 . 2]"
1 48 GLU 0.185 0.071 16 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 THR 0.029 0.012 11 0 "[ . 1 . 2]"
1 56 LEU 0.071 0.031 3 0 "[ . 1 . 2]"
1 57 ASP 0.029 0.012 11 0 "[ . 1 . 2]"
1 58 GLN 0.008 0.005 12 0 "[ . 1 . 2]"
1 59 LEU 0.111 0.031 3 0 "[ . 1 . 2]"
1 60 ARG 0.066 0.023 11 0 "[ . 1 . 2]"
1 61 LEU 0.054 0.023 11 0 "[ . 1 . 2]"
1 62 VAL 0.086 0.012 11 0 "[ . 1 . 2]"
1 63 ILE 0.040 0.011 11 0 "[ . 1 . 2]"
1 64 CYS 0.083 0.033 11 0 "[ . 1 . 2]"
1 65 ASP 0.136 0.033 11 0 "[ . 1 . 2]"
1 66 LEU 0.058 0.016 5 0 "[ . 1 . 2]"
1 67 GLN 0.225 0.055 5 0 "[ . 1 . 2]"
1 68 GLU 0.141 0.018 19 0 "[ . 1 . 2]"
1 69 ARG 0.311 0.077 7 0 "[ . 1 . 2]"
1 70 ARG 0.361 0.077 7 0 "[ . 1 . 2]"
1 71 GLU 0.319 0.079 3 0 "[ . 1 . 2]"
1 72 LYS 0.324 0.079 3 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 0.414 0.164 7 0 "[ . 1 . 2]"
1 75 SER 0.414 0.164 7 0 "[ . 1 . 2]"
1 76 SER 0.393 0.076 3 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.824 0.076 3 0 "[ . 1 . 2]"
1 79 ILE 0.456 0.073 3 0 "[ . 1 . 2]"
1 80 ASP 0.129 0.046 9 0 "[ . 1 . 2]"
1 81 MET 0.161 0.046 9 0 "[ . 1 . 2]"
1 82 ALA 0.646 0.037 18 0 "[ . 1 . 2]"
1 83 ILE 0.305 0.037 18 0 "[ . 1 . 2]"
1 84 VAL 0.220 0.023 16 0 "[ . 1 . 2]"
1 85 THR 0.049 0.023 16 0 "[ . 1 . 2]"
1 86 LEU 0.068 0.023 15 0 "[ . 1 . 2]"
1 87 LYS 0.234 0.040 11 0 "[ . 1 . 2]"
1 88 VAL 0.476 0.062 16 0 "[ . 1 . 2]"
1 89 PHE 0.885 0.132 10 0 "[ . 1 . 2]"
1 90 ALA 0.130 0.041 16 0 "[ . 1 . 2]"
1 91 VAL 0.420 0.062 16 0 "[ . 1 . 2]"
1 92 ALA 0.339 0.071 3 0 "[ . 1 . 2]"
1 93 GLY 0.005 0.003 2 0 "[ . 1 . 2]"
1 94 LEU 0.369 0.071 3 0 "[ . 1 . 2]"
1 95 LEU 0.002 0.002 12 0 "[ . 1 . 2]"
1 96 ASN 0.001 0.001 9 0 "[ . 1 . 2]"
1 97 MET 0.001 0.001 9 0 "[ . 1 . 2]"
1 99 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 SER 0.012 0.006 13 0 "[ . 1 . 2]"
1 101 THR 0.128 0.011 3 0 "[ . 1 . 2]"
1 102 ALA 0.160 0.031 11 0 "[ . 1 . 2]"
1 103 ALA 0.100 0.011 3 0 "[ . 1 . 2]"
1 104 ALA 0.027 0.011 13 0 "[ . 1 . 2]"
1 105 ALA 0.192 0.031 11 0 "[ . 1 . 2]"
1 106 GLU 0.006 0.004 15 0 "[ . 1 . 2]"
1 107 ASN 0.104 0.031 3 0 "[ . 1 . 2]"
1 108 MET 0.062 0.031 3 0 "[ . 1 . 2]"
1 109 TYR 0.053 0.020 3 0 "[ . 1 . 2]"
1 110 SER 0.071 0.014 15 0 "[ . 1 . 2]"
1 111 GLN 0.286 0.053 3 0 "[ . 1 . 2]"
1 112 MET 0.119 0.036 3 0 "[ . 1 . 2]"
1 113 GLY 0.017 0.008 3 0 "[ . 1 . 2]"
1 114 LEU 0.322 0.053 3 0 "[ . 1 . 2]"
1 115 ASP 0.112 0.028 3 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 4 LYS HA 1 5 SER H . . 2.700 2.187 2.139 2.627 . 0 0 "[ . 1 . 2]" 1
2 1 5 SER H 1 6 ARG H . . 2.800 2.687 2.539 2.825 0.025 3 0 "[ . 1 . 2]" 1
3 1 5 SER H 1 7 ASP H . . 5.000 4.751 3.459 4.974 . 0 0 "[ . 1 . 2]" 1
4 1 5 SER H 1 8 TRP H . . 5.000 4.745 4.356 4.914 . 0 0 "[ . 1 . 2]" 1
5 1 5 SER HA 1 8 TRP QB . . 5.800 2.434 2.012 3.325 . 0 0 "[ . 1 . 2]" 1
6 1 5 SER HA 1 9 LYS H . . 5.000 3.466 2.987 4.344 . 0 0 "[ . 1 . 2]" 1
7 1 6 ARG H 1 7 ASP H . . 2.800 2.781 2.519 2.829 0.029 7 0 "[ . 1 . 2]" 1
8 1 6 ARG H 1 8 TRP H . . 5.000 3.716 3.542 4.735 . 0 0 "[ . 1 . 2]" 1
9 1 6 ARG H 1 9 LYS H . . 5.000 4.646 4.426 4.972 . 0 0 "[ . 1 . 2]" 1
10 1 6 ARG HA 1 9 LYS QB . . 5.800 3.427 2.506 4.533 . 0 0 "[ . 1 . 2]" 1
11 1 6 ARG HA 1 10 MET H . . 5.000 4.087 3.745 4.402 . 0 0 "[ . 1 . 2]" 1
12 1 7 ASP H 1 8 TRP H . . 2.800 2.630 2.449 2.819 0.019 17 0 "[ . 1 . 2]" 1
13 1 7 ASP H 1 9 LYS H . . 5.000 4.634 3.863 4.948 . 0 0 "[ . 1 . 2]" 1
14 1 7 ASP H 1 10 MET H . . 5.000 4.765 4.412 5.008 0.008 17 0 "[ . 1 . 2]" 1
15 1 7 ASP HA 1 10 MET QB . . 5.800 2.494 2.104 3.167 . 0 0 "[ . 1 . 2]" 1
16 1 7 ASP HA 1 11 ALA H . . 5.000 3.608 3.112 4.449 . 0 0 "[ . 1 . 2]" 1
17 1 8 TRP H 1 9 LYS H . . 2.800 2.777 2.619 2.814 0.014 15 0 "[ . 1 . 2]" 1
18 1 8 TRP H 1 10 MET H . . 5.000 3.793 3.534 4.301 . 0 0 "[ . 1 . 2]" 1
19 1 8 TRP H 1 11 ALA H . . 5.000 4.581 4.388 4.862 . 0 0 "[ . 1 . 2]" 1
20 1 8 TRP HA 1 11 ALA MB . . 5.500 2.984 2.385 3.383 . 0 0 "[ . 1 . 2]" 1
21 1 8 TRP HA 1 12 ILE H . . 5.000 4.000 3.705 4.305 . 0 0 "[ . 1 . 2]" 1
22 1 8 TRP HZ3 1 52 ILE MG . . 3.800 2.601 2.063 3.186 . 0 0 "[ . 1 . 2]" 1
23 1 8 TRP HZ3 1 89 PHE QE . . 3.300 3.055 2.052 3.432 0.132 10 0 "[ . 1 . 2]" 1
24 1 9 LYS H 1 10 MET H . . 2.800 2.666 2.501 2.806 0.006 18 0 "[ . 1 . 2]" 1
25 1 9 LYS H 1 11 ALA H . . 5.000 4.479 4.130 4.810 . 0 0 "[ . 1 . 2]" 1
26 1 9 LYS H 1 12 ILE H . . 5.000 4.911 4.772 5.024 0.024 7 0 "[ . 1 . 2]" 1
27 1 9 LYS HA 1 13 LYS H . . 5.000 3.974 3.560 4.332 . 0 0 "[ . 1 . 2]" 1
28 1 10 MET H 1 11 ALA H . . 2.800 2.667 2.439 2.804 0.004 11 0 "[ . 1 . 2]" 1
29 1 10 MET H 1 12 ILE H . . 5.000 4.074 3.668 4.513 . 0 0 "[ . 1 . 2]" 1
30 1 10 MET H 1 13 LYS H . . 5.000 4.557 4.368 4.983 . 0 0 "[ . 1 . 2]" 1
31 1 10 MET HA 1 13 LYS QB . . 5.800 2.545 2.134 3.075 . 0 0 "[ . 1 . 2]" 1
32 1 10 MET HA 1 14 ARG H . . 5.000 4.199 3.601 4.491 . 0 0 "[ . 1 . 2]" 1
33 1 11 ALA H 1 12 ILE H . . 2.800 2.791 2.645 2.834 0.034 3 0 "[ . 1 . 2]" 1
34 1 11 ALA H 1 13 LYS H . . 5.000 4.135 3.792 4.738 . 0 0 "[ . 1 . 2]" 1
35 1 11 ALA H 1 14 ARG H . . 5.000 4.911 4.604 5.009 0.009 14 0 "[ . 1 . 2]" 1
36 1 11 ALA HA 1 14 ARG QB . . 5.800 3.154 2.565 3.676 . 0 0 "[ . 1 . 2]" 1
37 1 11 ALA HA 1 15 CYS H . . 5.000 4.082 3.728 4.444 . 0 0 "[ . 1 . 2]" 1
38 1 11 ALA HA 1 93 GLY QA . . 4.600 2.524 1.979 3.521 . 0 0 "[ . 1 . 2]" 1
39 1 11 ALA MB 1 93 GLY QA . . 4.100 2.491 2.013 2.888 . 0 0 "[ . 1 . 2]" 1
40 1 11 ALA MB 1 94 LEU QD . . 7.000 3.976 3.661 4.237 . 0 0 "[ . 1 . 2]" 1
41 1 12 ILE H 1 13 LYS H . . 2.800 2.615 2.415 2.810 0.010 20 0 "[ . 1 . 2]" 1
42 1 12 ILE H 1 14 ARG H . . 5.000 4.222 3.671 4.606 . 0 0 "[ . 1 . 2]" 1
43 1 12 ILE H 1 15 CYS H . . 5.000 4.751 4.347 5.009 0.009 15 0 "[ . 1 . 2]" 1
44 1 12 ILE HA 1 16 SER H . . 5.000 4.040 3.657 4.513 . 0 0 "[ . 1 . 2]" 1
45 1 12 ILE QG 1 52 ILE MD . . 6.300 4.595 4.362 4.673 . 0 0 "[ . 1 . 2]" 1
46 1 13 LYS H 1 14 ARG H . . 2.800 2.712 2.560 2.813 0.013 9 0 "[ . 1 . 2]" 1
47 1 13 LYS H 1 15 CYS H . . 5.000 4.196 3.776 4.638 . 0 0 "[ . 1 . 2]" 1
48 1 13 LYS H 1 16 SER H . . 5.000 4.795 4.455 5.013 0.013 9 0 "[ . 1 . 2]" 1
49 1 13 LYS HA 1 16 SER QB . . 5.800 2.969 2.202 3.850 . 0 0 "[ . 1 . 2]" 1
50 1 14 ARG H 1 15 CYS H . . 2.800 2.557 2.143 2.812 0.012 20 0 "[ . 1 . 2]" 1
51 1 14 ARG H 1 16 SER H . . 5.000 3.906 3.574 4.434 . 0 0 "[ . 1 . 2]" 1
52 1 15 CYS H 1 16 SER H . . 2.800 2.676 2.563 2.804 0.004 7 0 "[ . 1 . 2]" 1
53 1 15 CYS HA 1 88 VAL QG . . 6.500 4.096 3.361 4.672 . 0 0 "[ . 1 . 2]" 1
54 1 15 CYS HA 1 92 ALA MB . . 5.500 2.537 1.911 3.545 . 0 0 "[ . 1 . 2]" 1
55 1 16 SER H 1 17 ASN H . . 2.800 2.681 2.569 2.759 . 0 0 "[ . 1 . 2]" 1
56 1 17 ASN H 1 18 VAL H . . 2.800 2.725 2.423 2.812 0.012 13 0 "[ . 1 . 2]" 1
57 1 18 VAL HA 1 19 ALA H . . 2.700 2.251 2.158 2.392 . 0 0 "[ . 1 . 2]" 1
58 1 18 VAL HA 1 100 SER HA . . 5.000 4.067 3.357 5.001 0.001 2 0 "[ . 1 . 2]" 1
59 1 18 VAL QG 1 29 PHE QD . . 8.800 2.779 1.941 4.486 . 0 0 "[ . 1 . 2]" 1
60 1 18 VAL QG 1 88 VAL QG . . 8.000 1.946 1.720 2.631 . 0 0 "[ . 1 . 2]" 1
61 1 18 VAL QG 1 92 ALA MB . . 7.000 2.786 2.220 3.882 . 0 0 "[ . 1 . 2]" 1
62 1 18 VAL QG 1 99 VAL QG . . 8.000 2.306 1.656 4.218 . 0 0 "[ . 1 . 2]" 1
63 1 18 VAL QG 1 101 THR CA . . 6.500 3.441 2.803 4.552 . 0 0 "[ . 1 . 2]" 1
64 1 18 VAL QG 1 102 ALA CB . . 6.000 3.649 2.623 4.227 . 0 0 "[ . 1 . 2]" 1
65 1 19 ALA H 1 101 THR HA . . 2.700 2.449 1.947 2.705 0.005 7 0 "[ . 1 . 2]" 1
66 1 19 ALA HA 1 20 VAL H . . 2.700 2.301 2.141 2.580 . 0 0 "[ . 1 . 2]" 1
67 1 19 ALA MB 1 101 THR HA . . 3.800 2.196 1.964 2.797 . 0 0 "[ . 1 . 2]" 1
68 1 19 ALA MB 1 101 THR MG . . 3.800 2.081 1.942 2.269 . 0 0 "[ . 1 . 2]" 1
69 1 20 VAL H 1 20 VAL QG . . 3.200 1.954 1.850 2.073 . 0 0 "[ . 1 . 2]" 1
70 1 20 VAL H 1 21 GLY H . . 2.700 2.449 2.033 2.710 0.010 1 0 "[ . 1 . 2]" 1
71 1 21 GLY HA2 1 22 VAL H . . 2.700 2.601 2.379 2.700 . 16 0 "[ . 1 . 2]" 1
72 1 21 GLY HA3 1 22 VAL H . . 2.700 2.529 2.434 2.765 0.065 18 0 "[ . 1 . 2]" 1
73 1 22 VAL H 1 23 GLY H . . 2.700 2.377 1.894 2.728 0.028 3 0 "[ . 1 . 2]" 1
74 1 27 LYS HA 1 28 LYS H . . 2.700 2.379 2.140 2.720 0.020 10 0 "[ . 1 . 2]" 1
75 1 28 LYS HA 1 29 PHE H . . 2.700 2.296 2.159 2.462 . 0 0 "[ . 1 . 2]" 1
76 1 29 PHE HA 1 30 GLY H . . 2.700 2.350 2.146 2.620 . 0 0 "[ . 1 . 2]" 1
77 1 29 PHE QD 1 34 PHE QD . . 6.900 3.436 2.341 4.975 . 0 0 "[ . 1 . 2]" 1
78 1 29 PHE QD 1 85 THR MG . . 6.100 4.118 3.327 4.655 . 0 0 "[ . 1 . 2]" 1
79 1 29 PHE QE 1 102 ALA MB . . 5.600 2.546 1.908 4.412 . 0 0 "[ . 1 . 2]" 1
80 1 30 GLY HA2 1 31 GLU H . . 2.700 2.543 2.428 2.712 0.012 3 0 "[ . 1 . 2]" 1
81 1 30 GLY HA3 1 31 GLU H . . 2.700 2.590 2.423 2.710 0.010 9 0 "[ . 1 . 2]" 1
82 1 31 GLU H 1 32 GLY H . . 2.800 2.720 2.585 2.803 0.003 10 0 "[ . 1 . 2]" 1
83 1 31 GLU H 1 34 PHE H . . 5.000 4.956 4.792 5.012 0.012 3 0 "[ . 1 . 2]" 1
84 1 31 GLU HA 1 35 ARG H . . 5.000 4.030 3.332 4.390 . 0 0 "[ . 1 . 2]" 1
85 1 32 GLY H 1 33 ASN H . . 2.800 2.719 2.555 2.831 0.031 3 0 "[ . 1 . 2]" 1
86 1 33 ASN H 1 34 PHE H . . 2.800 2.758 2.597 2.829 0.029 10 0 "[ . 1 . 2]" 1
87 1 33 ASN H 1 35 ARG H . . 5.000 3.992 3.581 4.603 . 0 0 "[ . 1 . 2]" 1
88 1 33 ASN H 1 36 TRP H . . 5.000 4.805 4.377 5.005 0.005 10 0 "[ . 1 . 2]" 1
89 1 34 PHE H 1 35 ARG H . . 2.800 2.694 2.540 2.818 0.018 20 0 "[ . 1 . 2]" 1
90 1 34 PHE H 1 36 TRP H . . 5.000 4.331 3.805 4.844 . 0 0 "[ . 1 . 2]" 1
91 1 34 PHE H 1 37 ALA H . . 5.000 4.906 4.753 5.013 0.013 14 0 "[ . 1 . 2]" 1
92 1 34 PHE HA 1 37 ALA MB . . 5.500 2.693 2.268 3.282 . 0 0 "[ . 1 . 2]" 1
93 1 34 PHE HA 1 38 ILE H . . 5.000 3.707 3.380 4.317 . 0 0 "[ . 1 . 2]" 1
94 1 34 PHE QD 1 89 PHE QD . . 5.000 3.025 1.995 3.900 . 0 0 "[ . 1 . 2]" 1
95 1 34 PHE QD 1 89 PHE QE . . 5.000 3.413 2.375 4.518 . 0 0 "[ . 1 . 2]" 1
96 1 35 ARG H 1 36 TRP H . . 2.800 2.715 2.541 2.830 0.030 2 0 "[ . 1 . 2]" 1
97 1 35 ARG H 1 37 ALA H . . 5.000 4.135 3.666 4.776 . 0 0 "[ . 1 . 2]" 1
98 1 35 ARG H 1 38 ILE H . . 5.000 4.830 4.699 4.935 . 0 0 "[ . 1 . 2]" 1
99 1 35 ARG QG 1 52 ILE MD . . 6.300 4.401 3.280 4.697 . 0 0 "[ . 1 . 2]" 1
100 1 36 TRP H 1 37 ALA H . . 2.800 2.662 2.503 2.759 . 0 0 "[ . 1 . 2]" 1
101 1 36 TRP H 1 38 ILE H . . 5.000 4.460 3.784 4.956 . 0 0 "[ . 1 . 2]" 1
102 1 36 TRP H 1 39 ARG H . . 5.000 4.727 4.541 5.011 0.011 20 0 "[ . 1 . 2]" 1
103 1 36 TRP HA 1 39 ARG QB . . 5.800 2.837 2.260 3.409 . 0 0 "[ . 1 . 2]" 1
104 1 36 TRP HA 1 40 MET H . . 5.000 3.725 3.368 3.950 . 0 0 "[ . 1 . 2]" 1
105 1 36 TRP HE3 1 37 ALA H . . 3.300 2.528 2.201 2.940 . 0 0 "[ . 1 . 2]" 1
106 1 36 TRP HH2 1 78 GLU HA . . 5.000 2.625 1.998 3.077 . 0 0 "[ . 1 . 2]" 1
107 1 36 TRP HH2 1 82 ALA H . . 3.300 3.318 3.307 3.336 0.036 19 0 "[ . 1 . 2]" 1
108 1 36 TRP HZ3 1 37 ALA H . . 5.000 4.645 4.357 4.985 . 0 0 "[ . 1 . 2]" 1
109 1 36 TRP HZ3 1 82 ALA H . . 3.300 3.255 2.977 3.328 0.028 11 0 "[ . 1 . 2]" 1
110 1 36 TRP HZ3 1 82 ALA HA . . 3.300 3.010 2.677 3.305 0.005 8 0 "[ . 1 . 2]" 1
111 1 37 ALA H 1 38 ILE H . . 2.800 2.744 2.547 2.828 0.028 19 0 "[ . 1 . 2]" 1
112 1 37 ALA H 1 39 ARG H . . 5.000 4.016 3.707 4.828 . 0 0 "[ . 1 . 2]" 1
113 1 37 ALA H 1 40 MET H . . 5.000 4.664 4.437 4.851 . 0 0 "[ . 1 . 2]" 1
114 1 37 ALA HA 1 40 MET QB . . 5.800 2.918 2.415 3.417 . 0 0 "[ . 1 . 2]" 1
115 1 37 ALA HA 1 41 ALA H . . 5.000 3.932 3.432 4.422 . 0 0 "[ . 1 . 2]" 1
116 1 37 ALA HA 1 82 ALA HA . . 5.000 2.969 2.661 3.276 . 0 0 "[ . 1 . 2]" 1
117 1 37 ALA HA 1 82 ALA MB . . 5.500 2.855 2.402 3.558 . 0 0 "[ . 1 . 2]" 1
118 1 37 ALA MB 1 85 THR HA . . 5.500 4.202 4.150 4.363 . 0 0 "[ . 1 . 2]" 1
119 1 37 ALA MB 1 85 THR MG . . 4.300 1.891 1.838 1.975 . 0 0 "[ . 1 . 2]" 1
120 1 38 ILE H 1 39 ARG H . . 2.800 2.784 2.593 2.835 0.035 13 0 "[ . 1 . 2]" 1
121 1 38 ILE H 1 40 MET H . . 5.000 4.480 3.731 4.837 . 0 0 "[ . 1 . 2]" 1
122 1 38 ILE H 1 41 ALA H . . 5.000 4.735 4.466 4.923 . 0 0 "[ . 1 . 2]" 1
123 1 38 ILE HA 1 41 ALA MB . . 5.500 2.618 2.168 2.950 . 0 0 "[ . 1 . 2]" 1
124 1 38 ILE HA 1 42 ASN H . . 5.000 4.209 4.051 4.517 . 0 0 "[ . 1 . 2]" 1
125 1 38 ILE HA 1 86 LEU QD . . 5.500 2.684 1.960 4.071 . 0 0 "[ . 1 . 2]" 1
126 1 38 ILE MD 1 52 ILE HA . . 5.500 3.850 2.536 4.463 . 0 0 "[ . 1 . 2]" 1
127 1 39 ARG H 1 40 MET H . . 2.800 2.766 2.549 2.816 0.016 10 0 "[ . 1 . 2]" 1
128 1 39 ARG H 1 41 ALA H . . 5.000 3.996 3.722 4.596 . 0 0 "[ . 1 . 2]" 1
129 1 39 ARG H 1 42 ASN H . . 5.000 4.794 4.597 4.975 . 0 0 "[ . 1 . 2]" 1
130 1 39 ARG HA 1 42 ASN QB . . 5.800 3.078 2.510 3.717 . 0 0 "[ . 1 . 2]" 1
131 1 39 ARG HA 1 43 VAL H . . 5.000 4.105 3.612 4.417 . 0 0 "[ . 1 . 2]" 1
132 1 39 ARG HA 1 52 ILE MD . . 6.300 5.112 5.048 5.186 . 0 0 "[ . 1 . 2]" 1
133 1 40 MET H 1 41 ALA H . . 2.800 2.733 2.553 2.807 0.007 9 0 "[ . 1 . 2]" 1
134 1 40 MET H 1 42 ASN H . . 5.000 4.346 3.814 4.659 . 0 0 "[ . 1 . 2]" 1
135 1 40 MET H 1 43 VAL H . . 5.000 4.981 4.853 5.024 0.024 16 0 "[ . 1 . 2]" 1
136 1 40 MET HA 1 44 SER H . . 5.000 3.822 3.607 4.200 . 0 0 "[ . 1 . 2]" 1
137 1 41 ALA H 1 42 ASN H . . 2.800 2.703 2.483 2.802 0.002 2 0 "[ . 1 . 2]" 1
138 1 41 ALA H 1 43 VAL H . . 5.000 4.387 4.043 4.901 . 0 0 "[ . 1 . 2]" 1
139 1 41 ALA H 1 44 SER H . . 5.000 4.660 4.471 4.867 . 0 0 "[ . 1 . 2]" 1
140 1 41 ALA HA 1 44 SER QB . . 5.800 2.634 2.300 3.418 . 0 0 "[ . 1 . 2]" 1
141 1 41 ALA HA 1 45 THR H . . 5.000 4.573 4.299 4.821 . 0 0 "[ . 1 . 2]" 1
142 1 42 ASN H 1 43 VAL H . . 2.800 2.775 2.615 2.811 0.011 15 0 "[ . 1 . 2]" 1
143 1 42 ASN H 1 44 SER H . . 5.000 4.032 3.730 4.255 . 0 0 "[ . 1 . 2]" 1
144 1 42 ASN H 1 45 THR H . . 5.000 4.863 4.672 5.009 0.009 13 0 "[ . 1 . 2]" 1
145 1 42 ASN HA 1 47 ARG QB . . 5.800 3.012 2.225 3.411 . 0 0 "[ . 1 . 2]" 1
146 1 43 VAL H 1 44 SER H . . 2.800 2.720 2.625 2.807 0.007 20 0 "[ . 1 . 2]" 1
147 1 43 VAL H 1 45 THR H . . 5.000 4.076 3.973 4.287 . 0 0 "[ . 1 . 2]" 1
148 1 44 SER H 1 45 THR H . . 2.800 2.660 2.593 2.776 . 0 0 "[ . 1 . 2]" 1
149 1 44 SER QB 1 69 ARG QD . . 5.800 3.998 2.915 4.541 . 0 0 "[ . 1 . 2]" 1
150 1 45 THR H 1 46 GLY H . . 3.300 2.511 2.147 2.922 . 0 0 "[ . 1 . 2]" 1
151 1 45 THR HA 1 45 THR HB . . 2.700 2.571 2.434 2.693 . 0 0 "[ . 1 . 2]" 1
152 1 45 THR MG 1 62 VAL QG . . 7.000 2.444 1.923 3.692 . 0 0 "[ . 1 . 2]" 1
153 1 45 THR MG 1 65 ASP QB . . 6.300 2.334 1.885 3.083 . 0 0 "[ . 1 . 2]" 1
154 1 45 THR MG 1 66 LEU HA . . 3.800 3.136 2.889 3.270 . 0 0 "[ . 1 . 2]" 1
155 1 46 GLY H 1 47 ARG H . . 3.300 2.705 2.283 3.216 . 0 0 "[ . 1 . 2]" 1
156 1 47 ARG HA 1 48 GLU H . . 2.700 2.465 2.147 2.771 0.071 16 0 "[ . 1 . 2]" 1
157 1 47 ARG QD 1 62 VAL QG . . 6.300 3.286 2.360 3.994 . 0 0 "[ . 1 . 2]" 1
158 1 49 PRO QB 1 50 GLY H . . 4.100 2.939 2.839 3.596 . 0 0 "[ . 1 . 2]" 1
159 1 49 PRO QD 1 50 GLY H . . 4.100 2.694 2.613 2.787 . 0 0 "[ . 1 . 2]" 1
160 1 50 GLY H 1 51 ASP H . . 5.000 3.699 3.347 4.190 . 0 0 "[ . 1 . 2]" 1
161 1 51 ASP H 1 52 ILE H . . 5.000 3.942 2.630 4.613 . 0 0 "[ . 1 . 2]" 1
162 1 54 GLU H 1 55 THR H . . 5.000 2.886 1.900 3.577 . 0 0 "[ . 1 . 2]" 1
163 1 54 GLU H 1 58 GLN QB . . 5.800 4.039 2.841 5.175 . 0 0 "[ . 1 . 2]" 1
164 1 54 GLU QB 1 58 GLN NE2 . . 5.800 5.065 4.309 5.230 . 0 0 "[ . 1 . 2]" 1
165 1 55 THR H 1 57 ASP H . . 5.000 4.955 4.689 5.012 0.012 11 0 "[ . 1 . 2]" 1
166 1 55 THR H 1 58 GLN H . . 5.000 4.017 3.750 4.256 . 0 0 "[ . 1 . 2]" 1
167 1 55 THR H 1 59 LEU H . . 5.000 3.759 3.394 4.362 . 0 0 "[ . 1 . 2]" 1
168 1 55 THR HA 1 56 LEU H . . 2.700 2.182 2.151 2.242 . 0 0 "[ . 1 . 2]" 1
169 1 56 LEU H 1 57 ASP H . . 2.800 2.750 2.627 2.776 . 0 0 "[ . 1 . 2]" 1
170 1 56 LEU H 1 58 GLN H . . 5.000 4.459 4.275 4.742 . 0 0 "[ . 1 . 2]" 1
171 1 56 LEU H 1 59 LEU H . . 5.000 4.964 4.846 5.031 0.031 3 0 "[ . 1 . 2]" 1
172 1 56 LEU HA 1 59 LEU QB . . 5.800 2.797 2.473 3.173 . 0 0 "[ . 1 . 2]" 1
173 1 56 LEU HA 1 60 ARG H . . 5.000 3.785 3.411 4.136 . 0 0 "[ . 1 . 2]" 1
174 1 56 LEU QD 1 90 ALA MB . . 7.000 3.057 2.078 4.075 . 0 0 "[ . 1 . 2]" 1
175 1 56 LEU QD 1 94 LEU QD . . 7.000 2.976 2.564 3.653 . 0 0 "[ . 1 . 2]" 1
176 1 56 LEU QD 1 114 LEU MD2 . . 7.000 2.470 1.792 3.403 . 0 0 "[ . 1 . 2]" 1
177 1 57 ASP H 1 58 GLN H . . 2.800 2.611 2.520 2.747 . 0 0 "[ . 1 . 2]" 1
178 1 57 ASP H 1 59 LEU H . . 5.000 4.161 3.627 4.395 . 0 0 "[ . 1 . 2]" 1
179 1 57 ASP H 1 60 ARG H . . 5.000 4.641 4.489 4.796 . 0 0 "[ . 1 . 2]" 1
180 1 57 ASP HA 1 60 ARG QB . . 5.800 2.770 2.473 3.788 . 0 0 "[ . 1 . 2]" 1
181 1 57 ASP HA 1 61 LEU H . . 5.000 4.108 3.829 4.392 . 0 0 "[ . 1 . 2]" 1
182 1 58 GLN H 1 59 LEU H . . 2.800 2.705 2.565 2.805 0.005 12 0 "[ . 1 . 2]" 1
183 1 58 GLN H 1 60 ARG H . . 5.000 4.130 3.798 4.622 . 0 0 "[ . 1 . 2]" 1
184 1 58 GLN H 1 61 LEU H . . 5.000 4.776 4.531 5.001 0.001 12 0 "[ . 1 . 2]" 1
185 1 58 GLN HA 1 61 LEU QB . . 5.800 2.864 2.438 3.326 . 0 0 "[ . 1 . 2]" 1
186 1 58 GLN HA 1 62 VAL H . . 5.000 4.185 3.842 4.445 . 0 0 "[ . 1 . 2]" 1
187 1 59 LEU H 1 60 ARG H . . 2.800 2.700 2.542 2.813 0.013 5 0 "[ . 1 . 2]" 1
188 1 59 LEU H 1 61 LEU H . . 5.000 4.189 3.623 4.572 . 0 0 "[ . 1 . 2]" 1
189 1 59 LEU H 1 62 VAL H . . 5.000 4.851 4.684 5.007 0.007 2 0 "[ . 1 . 2]" 1
190 1 59 LEU H 1 90 ALA MB . . 5.500 4.467 4.411 4.531 . 0 0 "[ . 1 . 2]" 1
191 1 59 LEU HA 1 62 VAL HB . . 5.000 3.294 2.381 4.987 . 0 0 "[ . 1 . 2]" 1
192 1 59 LEU HA 1 63 ILE H . . 5.000 3.948 3.240 4.398 . 0 0 "[ . 1 . 2]" 1
193 1 59 LEU QD 1 89 PHE QD . . 6.500 3.320 2.444 4.352 . 0 0 "[ . 1 . 2]" 1
194 1 59 LEU QD 1 90 ALA HA . . 6.500 2.564 1.780 3.593 . 0 0 "[ . 1 . 2]" 1
195 1 59 LEU QD 1 90 ALA MB . . 7.000 2.036 1.678 2.688 . 0 0 "[ . 1 . 2]" 1
196 1 60 ARG H 1 61 LEU H . . 2.800 2.711 2.436 2.823 0.023 11 0 "[ . 1 . 2]" 1
197 1 60 ARG H 1 62 VAL H . . 5.000 4.281 3.848 4.882 . 0 0 "[ . 1 . 2]" 1
198 1 60 ARG H 1 63 ILE H . . 5.000 4.818 4.641 4.987 . 0 0 "[ . 1 . 2]" 1
199 1 60 ARG HA 1 64 CYS H . . 5.000 4.079 3.567 4.420 . 0 0 "[ . 1 . 2]" 1
200 1 61 LEU H 1 62 VAL H . . 2.800 2.686 2.446 2.803 0.003 16 0 "[ . 1 . 2]" 1
201 1 61 LEU H 1 63 ILE H . . 5.000 4.204 3.709 4.660 . 0 0 "[ . 1 . 2]" 1
202 1 61 LEU H 1 64 CYS H . . 5.000 4.745 4.505 4.949 . 0 0 "[ . 1 . 2]" 1
203 1 61 LEU HA 1 65 ASP H . . 5.000 4.091 3.840 4.332 . 0 0 "[ . 1 . 2]" 1
204 1 61 LEU MD1 1 65 ASP H . . 5.000 3.814 3.509 4.013 . 0 0 "[ . 1 . 2]" 1
205 1 62 VAL H 1 63 ILE H . . 2.800 2.731 2.480 2.811 0.011 11 0 "[ . 1 . 2]" 1
206 1 62 VAL H 1 64 CYS H . . 5.000 4.127 3.693 4.722 . 0 0 "[ . 1 . 2]" 1
207 1 62 VAL H 1 65 ASP H . . 5.000 4.922 4.712 5.012 0.012 11 0 "[ . 1 . 2]" 1
208 1 62 VAL HA 1 65 ASP QB . . 5.800 3.060 2.578 3.518 . 0 0 "[ . 1 . 2]" 1
209 1 62 VAL HA 1 66 LEU H . . 5.000 3.755 3.352 4.226 . 0 0 "[ . 1 . 2]" 1
210 1 63 ILE H 1 64 CYS H . . 2.800 2.694 2.411 2.801 0.001 17 0 "[ . 1 . 2]" 1
211 1 63 ILE H 1 65 ASP H . . 5.000 4.445 3.611 4.935 . 0 0 "[ . 1 . 2]" 1
212 1 63 ILE H 1 66 LEU H . . 5.000 4.758 4.582 4.944 . 0 0 "[ . 1 . 2]" 1
213 1 63 ILE H 1 86 LEU MD1 . . 5.500 3.729 2.518 4.442 . 0 0 "[ . 1 . 2]" 1
214 1 63 ILE HA 1 66 LEU QB . . 5.800 2.670 2.209 3.065 . 0 0 "[ . 1 . 2]" 1
215 1 63 ILE HA 1 67 GLN H . . 5.000 3.777 3.292 4.222 . 0 0 "[ . 1 . 2]" 1
216 1 63 ILE HA 1 86 LEU MD1 . . 5.500 3.413 1.976 4.521 . 0 0 "[ . 1 . 2]" 1
217 1 63 ILE MD 1 87 LYS H . . 5.500 3.624 2.489 4.461 . 0 0 "[ . 1 . 2]" 1
218 1 63 ILE MD 1 87 LYS HA . . 5.500 2.551 2.096 3.823 . 0 0 "[ . 1 . 2]" 1
219 1 63 ILE MD 1 109 TYR QE . . 5.500 2.689 1.940 4.116 . 0 0 "[ . 1 . 2]" 1
220 1 63 ILE MG 1 109 TYR QE . . 5.500 2.890 1.949 3.619 . 0 0 "[ . 1 . 2]" 1
221 1 64 CYS H 1 65 ASP H . . 2.800 2.770 2.499 2.833 0.033 11 0 "[ . 1 . 2]" 1
222 1 64 CYS H 1 66 LEU H . . 5.000 4.160 3.792 4.817 . 0 0 "[ . 1 . 2]" 1
223 1 64 CYS H 1 67 GLN H . . 5.000 4.652 4.448 4.969 . 0 0 "[ . 1 . 2]" 1
224 1 64 CYS HA 1 67 GLN H . . 5.000 3.805 3.540 4.051 . 0 0 "[ . 1 . 2]" 1
225 1 64 CYS HA 1 67 GLN QB . . 5.800 2.926 2.632 3.490 . 0 0 "[ . 1 . 2]" 1
226 1 64 CYS HA 1 68 GLU H . . 5.000 4.197 3.610 4.474 . 0 0 "[ . 1 . 2]" 1
227 1 65 ASP H 1 66 LEU H . . 2.800 2.723 2.547 2.805 0.005 15 0 "[ . 1 . 2]" 1
228 1 65 ASP H 1 67 GLN H . . 5.000 4.174 3.751 4.520 . 0 0 "[ . 1 . 2]" 1
229 1 65 ASP H 1 68 GLU H . . 5.000 4.867 4.536 5.010 0.010 19 0 "[ . 1 . 2]" 1
230 1 65 ASP HA 1 68 GLU QB . . 5.800 2.838 2.479 3.159 . 0 0 "[ . 1 . 2]" 1
231 1 66 LEU H 1 67 GLN H . . 2.800 2.765 2.656 2.816 0.016 5 0 "[ . 1 . 2]" 1
232 1 66 LEU H 1 68 GLU H . . 5.000 4.391 4.023 4.680 . 0 0 "[ . 1 . 2]" 1
233 1 66 LEU H 1 69 ARG H . . 5.000 4.845 4.588 5.010 0.010 11 0 "[ . 1 . 2]" 1
234 1 66 LEU HA 1 69 ARG QB . . 5.800 2.776 2.367 3.236 . 0 0 "[ . 1 . 2]" 1
235 1 66 LEU HA 1 70 ARG H . . 5.000 4.048 3.662 4.404 . 0 0 "[ . 1 . 2]" 1
236 1 66 LEU QD 1 82 ALA MB . . 7.000 2.722 2.078 3.523 . 0 0 "[ . 1 . 2]" 1
237 1 66 LEU QD 1 83 ILE H . . 6.500 3.755 2.783 4.615 . 0 0 "[ . 1 . 2]" 1
238 1 66 LEU QD 1 83 ILE HA . . 6.500 3.126 2.141 4.418 . 0 0 "[ . 1 . 2]" 1
239 1 67 GLN H 1 68 GLU H . . 2.800 2.769 2.685 2.817 0.017 13 0 "[ . 1 . 2]" 1
240 1 67 GLN H 1 69 ARG H . . 5.000 4.132 3.714 4.666 . 0 0 "[ . 1 . 2]" 1
241 1 67 GLN H 1 70 ARG H . . 5.000 4.773 4.459 5.055 0.055 5 0 "[ . 1 . 2]" 1
242 1 67 GLN HA 1 70 ARG QB . . 5.800 2.899 2.283 4.171 . 0 0 "[ . 1 . 2]" 1
243 1 67 GLN HA 1 71 GLU H . . 5.500 4.078 3.558 4.423 . 0 0 "[ . 1 . 2]" 1
244 1 67 GLN HA 1 83 ILE MD . . 3.800 2.660 1.938 3.157 . 0 0 "[ . 1 . 2]" 1
245 1 68 GLU H 1 69 ARG H . . 2.800 2.752 2.560 2.811 0.011 3 0 "[ . 1 . 2]" 1
246 1 68 GLU H 1 70 ARG H . . 5.000 4.344 3.904 4.955 . 0 0 "[ . 1 . 2]" 1
247 1 68 GLU H 1 71 GLU H . . 5.000 4.913 4.591 5.018 0.018 19 0 "[ . 1 . 2]" 1
248 1 68 GLU HA 1 71 GLU QB . . 5.800 2.956 2.248 3.514 . 0 0 "[ . 1 . 2]" 1
249 1 68 GLU HA 1 72 LYS H . . 5.000 4.052 3.400 4.374 . 0 0 "[ . 1 . 2]" 1
250 1 69 ARG H 1 70 ARG H . . 2.800 2.683 2.516 2.877 0.077 7 0 "[ . 1 . 2]" 1
251 1 69 ARG H 1 71 GLU H . . 5.000 4.147 3.654 4.473 . 0 0 "[ . 1 . 2]" 1
252 1 69 ARG H 1 72 LYS H . . 5.000 4.865 4.477 5.021 0.021 9 0 "[ . 1 . 2]" 1
253 1 69 ARG HA 1 73 PHE H . . 5.000 4.162 3.609 4.631 . 0 0 "[ . 1 . 2]" 1
254 1 69 ARG QB 1 79 ILE MD . . 5.500 3.752 3.144 4.174 . 0 0 "[ . 1 . 2]" 1
255 1 70 ARG H 1 71 GLU H . . 2.800 2.741 2.628 2.813 0.013 19 0 "[ . 1 . 2]" 1
256 1 70 ARG H 1 72 LYS H . . 5.000 4.461 4.242 4.897 . 0 0 "[ . 1 . 2]" 1
257 1 70 ARG H 1 79 ILE MD . . 5.500 3.719 2.935 4.365 . 0 0 "[ . 1 . 2]" 1
258 1 70 ARG HA 1 79 ILE MD . . 5.500 2.972 1.886 4.407 . 0 0 "[ . 1 . 2]" 1
259 1 70 ARG HA 1 79 ILE MG . . 5.500 3.428 1.970 4.348 . 0 0 "[ . 1 . 2]" 1
260 1 70 ARG QB 1 79 ILE MD . . 6.300 2.630 1.922 3.816 . 0 0 "[ . 1 . 2]" 1
261 1 71 GLU H 1 72 LYS H . . 2.800 2.779 2.656 2.879 0.079 3 0 "[ . 1 . 2]" 1
262 1 71 GLU H 1 73 PHE H . . 5.000 3.856 3.586 4.104 . 0 0 "[ . 1 . 2]" 1
263 1 72 LYS H 1 73 PHE H . . 2.800 2.671 2.520 2.769 . 0 0 "[ . 1 . 2]" 1
264 1 72 LYS H 1 74 GLY H . . 5.000 4.033 3.846 4.320 . 0 0 "[ . 1 . 2]" 1
265 1 74 GLY HA2 1 75 SER H . . 2.700 2.665 2.417 2.864 0.164 7 0 "[ . 1 . 2]" 1
266 1 74 GLY HA3 1 75 SER H . . 2.700 2.471 2.303 2.719 0.019 9 0 "[ . 1 . 2]" 1
267 1 75 SER HA 1 76 SER H . . 2.700 2.247 2.162 2.402 . 0 0 "[ . 1 . 2]" 1
268 1 76 SER H 1 78 GLU H . . 5.000 5.020 5.005 5.076 0.076 3 0 "[ . 1 . 2]" 1
269 1 76 SER H 1 80 ASP H . . 5.000 4.222 3.448 5.001 0.001 18 0 "[ . 1 . 2]" 1
270 1 76 SER HA 1 77 LYS H . . 2.700 2.199 2.137 2.525 . 0 0 "[ . 1 . 2]" 1
271 1 77 LYS H 1 78 GLU H . . 2.800 2.669 2.558 2.763 . 0 0 "[ . 1 . 2]" 1
272 1 77 LYS H 1 79 ILE H . . 5.000 4.808 4.177 4.949 . 0 0 "[ . 1 . 2]" 1
273 1 77 LYS HA 1 80 ASP QB . . 5.800 2.444 2.186 3.128 . 0 0 "[ . 1 . 2]" 1
274 1 77 LYS HA 1 81 MET H . . 5.000 3.952 3.646 4.141 . 0 0 "[ . 1 . 2]" 1
275 1 78 GLU H 1 79 ILE H . . 2.800 2.807 2.512 2.873 0.073 3 0 "[ . 1 . 2]" 1
276 1 78 GLU H 1 80 ASP H . . 5.000 3.799 3.620 3.965 . 0 0 "[ . 1 . 2]" 1
277 1 78 GLU H 1 81 MET H . . 5.000 4.702 4.457 4.955 . 0 0 "[ . 1 . 2]" 1
278 1 78 GLU HA 1 81 MET H . . 5.000 3.748 3.385 3.960 . 0 0 "[ . 1 . 2]" 1
279 1 78 GLU HA 1 81 MET QB . . 5.800 3.200 2.440 3.598 . 0 0 "[ . 1 . 2]" 1
280 1 79 ILE H 1 80 ASP H . . 2.800 2.673 2.560 2.780 . 0 0 "[ . 1 . 2]" 1
281 1 79 ILE H 1 81 MET H . . 5.000 4.399 4.011 4.813 . 0 0 "[ . 1 . 2]" 1
282 1 79 ILE H 1 82 ALA H . . 5.000 4.911 4.659 5.009 0.009 7 0 "[ . 1 . 2]" 1
283 1 79 ILE HA 1 82 ALA H . . 5.000 3.481 3.235 3.633 . 0 0 "[ . 1 . 2]" 1
284 1 79 ILE HA 1 82 ALA MB . . 5.500 2.590 2.230 2.891 . 0 0 "[ . 1 . 2]" 1
285 1 79 ILE HA 1 83 ILE H . . 5.000 4.108 3.784 4.356 . 0 0 "[ . 1 . 2]" 1
286 1 80 ASP H 1 81 MET H . . 2.800 2.721 2.446 2.846 0.046 9 0 "[ . 1 . 2]" 1
287 1 80 ASP H 1 82 ALA H . . 5.000 4.147 3.633 4.374 . 0 0 "[ . 1 . 2]" 1
288 1 80 ASP H 1 83 ILE H . . 5.000 4.876 4.768 5.009 0.009 15 0 "[ . 1 . 2]" 1
289 1 81 MET H 1 82 ALA H . . 2.800 2.664 2.461 2.805 0.005 7 0 "[ . 1 . 2]" 1
290 1 81 MET H 1 83 ILE H . . 5.000 4.275 4.082 4.799 . 0 0 "[ . 1 . 2]" 1
291 1 81 MET H 1 84 VAL H . . 5.000 4.930 4.669 5.015 0.015 3 0 "[ . 1 . 2]" 1
292 1 81 MET HA 1 84 VAL HB . . 5.000 3.072 2.444 4.633 . 0 0 "[ . 1 . 2]" 1
293 1 81 MET HA 1 85 THR H . . 5.000 4.238 3.979 4.437 . 0 0 "[ . 1 . 2]" 1
294 1 82 ALA H 1 83 ILE H . . 2.800 2.776 2.509 2.837 0.037 18 0 "[ . 1 . 2]" 1
295 1 82 ALA H 1 84 VAL H . . 5.000 4.383 3.922 4.680 . 0 0 "[ . 1 . 2]" 1
296 1 82 ALA H 1 85 THR H . . 5.000 4.800 4.567 4.965 . 0 0 "[ . 1 . 2]" 1
297 1 82 ALA HA 1 86 LEU H . . 5.000 4.278 3.898 4.437 . 0 0 "[ . 1 . 2]" 1
298 1 83 ILE H 1 84 VAL H . . 2.800 2.775 2.624 2.821 0.021 20 0 "[ . 1 . 2]" 1
299 1 83 ILE H 1 85 THR H . . 5.000 3.999 3.748 4.323 . 0 0 "[ . 1 . 2]" 1
300 1 83 ILE H 1 86 LEU H . . 5.000 4.933 4.687 5.019 0.019 20 0 "[ . 1 . 2]" 1
301 1 83 ILE HA 1 87 LYS H . . 5.000 4.366 4.198 4.453 . 0 0 "[ . 1 . 2]" 1
302 1 84 VAL H 1 85 THR H . . 2.800 2.722 2.576 2.823 0.023 16 0 "[ . 1 . 2]" 1
303 1 84 VAL H 1 86 LEU H . . 5.000 4.568 4.246 4.841 . 0 0 "[ . 1 . 2]" 1
304 1 84 VAL H 1 87 LYS H . . 5.000 4.949 4.842 5.019 0.019 1 0 "[ . 1 . 2]" 1
305 1 84 VAL HA 1 87 LYS QB . . 5.800 2.769 2.284 3.319 . 0 0 "[ . 1 . 2]" 1
306 1 84 VAL HA 1 88 VAL H . . 5.000 4.021 3.755 4.380 . 0 0 "[ . 1 . 2]" 1
307 1 84 VAL QG 1 102 ALA MB . . 5.500 1.928 1.700 2.505 . 0 0 "[ . 1 . 2]" 1
308 1 84 VAL QG 1 103 ALA H . . 5.500 3.666 3.278 4.076 . 0 0 "[ . 1 . 2]" 1
309 1 85 THR H 1 86 LEU H . . 2.800 2.718 2.635 2.799 . 0 0 "[ . 1 . 2]" 1
310 1 85 THR H 1 87 LYS H . . 5.000 3.926 3.638 4.363 . 0 0 "[ . 1 . 2]" 1
311 1 85 THR H 1 88 VAL H . . 5.000 4.878 4.708 5.013 0.013 16 0 "[ . 1 . 2]" 1
312 1 85 THR HA 1 88 VAL HB . . 5.000 4.046 2.654 4.955 . 0 0 "[ . 1 . 2]" 1
313 1 85 THR HA 1 89 PHE H . . 5.000 3.936 3.505 4.339 . 0 0 "[ . 1 . 2]" 1
314 1 86 LEU H 1 87 LYS H . . 2.800 2.732 2.625 2.823 0.023 15 0 "[ . 1 . 2]" 1
315 1 86 LEU H 1 88 VAL H . . 5.000 4.684 4.194 4.950 . 0 0 "[ . 1 . 2]" 1
316 1 86 LEU H 1 89 PHE H . . 5.000 4.754 4.644 4.816 . 0 0 "[ . 1 . 2]" 1
317 1 86 LEU HA 1 89 PHE QB . . 5.800 2.632 2.321 3.180 . 0 0 "[ . 1 . 2]" 1
318 1 86 LEU HA 1 90 ALA H . . 5.000 3.974 3.529 4.370 . 0 0 "[ . 1 . 2]" 1
319 1 87 LYS H 1 88 VAL H . . 2.800 2.770 2.651 2.840 0.040 11 0 "[ . 1 . 2]" 1
320 1 87 LYS H 1 89 PHE H . . 5.000 3.774 3.584 4.391 . 0 0 "[ . 1 . 2]" 1
321 1 87 LYS H 1 90 ALA H . . 5.000 4.658 4.363 5.013 0.013 15 0 "[ . 1 . 2]" 1
322 1 87 LYS HA 1 90 ALA MB . . 5.500 3.011 2.215 3.442 . 0 0 "[ . 1 . 2]" 1
323 1 87 LYS HA 1 91 VAL H . . 5.000 4.337 4.106 4.440 . 0 0 "[ . 1 . 2]" 1
324 1 88 VAL H 1 89 PHE H . . 2.800 2.695 2.544 2.818 0.018 20 0 "[ . 1 . 2]" 1
325 1 88 VAL H 1 90 ALA H . . 5.000 4.425 3.828 4.678 . 0 0 "[ . 1 . 2]" 1
326 1 88 VAL H 1 91 VAL H . . 5.000 4.981 4.846 5.062 0.062 16 0 "[ . 1 . 2]" 1
327 1 88 VAL HA 1 91 VAL HB . . 5.000 3.541 2.605 5.012 0.012 4 0 "[ . 1 . 2]" 1
328 1 88 VAL HA 1 92 ALA H . . 5.000 3.612 3.119 4.040 . 0 0 "[ . 1 . 2]" 1
329 1 88 VAL QG 1 102 ALA H . . 6.500 3.817 3.558 4.211 . 0 0 "[ . 1 . 2]" 1
330 1 88 VAL QG 1 102 ALA HA . . 4.800 1.959 1.820 2.431 . 0 0 "[ . 1 . 2]" 1
331 1 88 VAL QG 1 102 ALA MB . . 4.800 2.152 1.933 2.674 . 0 0 "[ . 1 . 2]" 1
332 1 89 PHE H 1 90 ALA H . . 2.800 2.630 2.495 2.732 . 0 0 "[ . 1 . 2]" 1
333 1 89 PHE H 1 91 VAL H . . 5.000 4.080 3.891 4.567 . 0 0 "[ . 1 . 2]" 1
334 1 89 PHE H 1 92 ALA H . . 5.000 4.596 4.414 4.758 . 0 0 "[ . 1 . 2]" 1
335 1 89 PHE HA 1 92 ALA MB . . 5.500 2.690 2.079 3.451 . 0 0 "[ . 1 . 2]" 1
336 1 89 PHE HA 1 93 GLY H . . 5.000 4.020 3.650 4.358 . 0 0 "[ . 1 . 2]" 1
337 1 90 ALA H 1 91 VAL H . . 2.800 2.722 2.579 2.841 0.041 16 0 "[ . 1 . 2]" 1
338 1 90 ALA H 1 92 ALA H . . 5.000 4.305 3.893 4.627 . 0 0 "[ . 1 . 2]" 1
339 1 90 ALA H 1 93 GLY H . . 5.000 4.721 4.487 5.003 0.003 2 0 "[ . 1 . 2]" 1
340 1 90 ALA HA 1 94 LEU H . . 5.000 3.353 2.804 3.928 . 0 0 "[ . 1 . 2]" 1
341 1 90 ALA MB 1 109 TYR QD . . 5.500 3.597 3.009 4.212 . 0 0 "[ . 1 . 2]" 1
342 1 91 VAL H 1 92 ALA H . . 2.800 2.586 2.382 2.794 . 0 0 "[ . 1 . 2]" 1
343 1 91 VAL H 1 93 GLY H . . 5.000 3.704 3.468 3.942 . 0 0 "[ . 1 . 2]" 1
344 1 91 VAL H 1 94 LEU H . . 5.000 4.827 4.567 5.012 0.012 4 0 "[ . 1 . 2]" 1
345 1 91 VAL QG 1 105 ALA HA . . 4.800 3.402 3.204 3.563 . 0 0 "[ . 1 . 2]" 1
346 1 91 VAL QG 1 105 ALA MB . . 5.300 2.539 1.908 3.130 . 0 0 "[ . 1 . 2]" 1
347 1 91 VAL QG 1 109 TYR H . . 6.500 3.804 3.184 4.571 . 0 0 "[ . 1 . 2]" 1
348 1 91 VAL QG 1 109 TYR QD . . 7.500 2.325 1.886 3.261 . 0 0 "[ . 1 . 2]" 1
349 1 92 ALA H 1 93 GLY H . . 2.800 2.633 2.555 2.725 . 0 0 "[ . 1 . 2]" 1
350 1 92 ALA H 1 94 LEU H . . 5.000 4.925 4.661 5.071 0.071 3 0 "[ . 1 . 2]" 1
351 1 93 GLY H 1 94 LEU H . . 2.800 2.640 2.487 2.749 . 0 0 "[ . 1 . 2]" 1
352 1 94 LEU H 1 95 LEU H . . 2.800 2.732 2.655 2.802 0.002 12 0 "[ . 1 . 2]" 1
353 1 95 LEU H 1 96 ASN H . . 2.800 2.361 2.135 2.537 . 0 0 "[ . 1 . 2]" 1
354 1 95 LEU QD 1 112 MET ME . . 6.000 3.230 1.982 3.676 . 0 0 "[ . 1 . 2]" 1
355 1 96 ASN H 1 97 MET H . . 2.800 2.776 2.758 2.801 0.001 9 0 "[ . 1 . 2]" 1
356 1 99 VAL QG 1 105 ALA MB . . 4.300 1.719 1.627 2.001 . 0 0 "[ . 1 . 2]" 1
357 1 100 SER H 1 101 THR H . . 2.700 2.250 1.905 2.706 0.006 13 0 "[ . 1 . 2]" 1
358 1 100 SER QB 1 101 THR MG . . 4.000 2.429 2.180 2.621 . 0 0 "[ . 1 . 2]" 1
359 1 101 THR H 1 103 ALA H . . 5.000 4.997 4.835 5.011 0.011 3 0 "[ . 1 . 2]" 1
360 1 101 THR H 1 104 ALA H . . 5.000 3.770 3.512 4.015 . 0 0 "[ . 1 . 2]" 1
361 1 101 THR H 1 105 ALA H . . 5.000 4.006 3.629 4.230 . 0 0 "[ . 1 . 2]" 1
362 1 101 THR HA 1 102 ALA H . . 2.700 2.313 2.206 2.541 . 0 0 "[ . 1 . 2]" 1
363 1 102 ALA H 1 103 ALA H . . 2.800 2.724 2.562 2.794 . 0 0 "[ . 1 . 2]" 1
364 1 102 ALA H 1 104 ALA H . . 5.000 4.408 4.155 4.619 . 0 0 "[ . 1 . 2]" 1
365 1 102 ALA H 1 105 ALA H . . 5.000 4.998 4.912 5.031 0.031 11 0 "[ . 1 . 2]" 1
366 1 102 ALA HA 1 105 ALA MB . . 5.500 2.917 2.661 3.202 . 0 0 "[ . 1 . 2]" 1
367 1 102 ALA HA 1 106 GLU H . . 5.000 4.127 3.594 4.382 . 0 0 "[ . 1 . 2]" 1
368 1 103 ALA H 1 104 ALA H . . 2.800 2.686 2.544 2.802 0.002 13 0 "[ . 1 . 2]" 1
369 1 103 ALA H 1 105 ALA H . . 5.000 4.192 4.091 4.355 . 0 0 "[ . 1 . 2]" 1
370 1 103 ALA H 1 106 GLU H . . 5.000 4.760 4.605 4.920 . 0 0 "[ . 1 . 2]" 1
371 1 103 ALA HA 1 106 GLU QB . . 5.800 2.653 2.357 2.925 . 0 0 "[ . 1 . 2]" 1
372 1 103 ALA HA 1 107 ASN H . . 5.000 3.993 3.603 4.146 . 0 0 "[ . 1 . 2]" 1
373 1 103 ALA MB 1 107 ASN H . . 5.500 4.518 4.319 4.571 . 0 0 "[ . 1 . 2]" 1
374 1 104 ALA H 1 105 ALA H . . 2.800 2.765 2.684 2.811 0.011 13 0 "[ . 1 . 2]" 1
375 1 104 ALA H 1 106 GLU H . . 5.000 4.241 3.843 4.575 . 0 0 "[ . 1 . 2]" 1
376 1 104 ALA H 1 107 ASN H . . 5.000 4.792 4.531 5.001 0.001 19 0 "[ . 1 . 2]" 1
377 1 104 ALA HA 1 107 ASN QB . . 5.800 2.840 2.366 3.250 . 0 0 "[ . 1 . 2]" 1
378 1 104 ALA HA 1 108 MET H . . 5.000 4.245 4.165 4.335 . 0 0 "[ . 1 . 2]" 1
379 1 105 ALA H 1 106 GLU H . . 2.800 2.682 2.557 2.804 0.004 15 0 "[ . 1 . 2]" 1
380 1 105 ALA H 1 107 ASN H . . 5.000 4.197 3.928 4.464 . 0 0 "[ . 1 . 2]" 1
381 1 105 ALA H 1 108 MET H . . 5.000 4.889 4.732 5.003 0.003 20 0 "[ . 1 . 2]" 1
382 1 105 ALA HA 1 108 MET QB . . 5.800 3.093 2.626 4.173 . 0 0 "[ . 1 . 2]" 1
383 1 105 ALA HA 1 109 TYR H . . 5.000 4.091 3.699 4.443 . 0 0 "[ . 1 . 2]" 1
384 1 106 GLU H 1 107 ASN H . . 2.800 2.704 2.544 2.801 0.001 19 0 "[ . 1 . 2]" 1
385 1 106 GLU H 1 108 MET H . . 5.000 4.263 3.982 4.573 . 0 0 "[ . 1 . 2]" 1
386 1 106 GLU H 1 109 TYR H . . 5.000 4.641 4.512 4.749 . 0 0 "[ . 1 . 2]" 1
387 1 106 GLU HA 1 110 SER H . . 5.000 4.222 4.048 4.298 . 0 0 "[ . 1 . 2]" 1
388 1 107 ASN H 1 108 MET H . . 2.800 2.758 2.695 2.831 0.031 3 0 "[ . 1 . 2]" 1
389 1 107 ASN H 1 109 TYR H . . 5.000 4.042 3.754 4.361 . 0 0 "[ . 1 . 2]" 1
390 1 107 ASN H 1 110 SER H . . 5.000 4.984 4.871 5.014 0.014 15 0 "[ . 1 . 2]" 1
391 1 107 ASN HA 1 111 GLN H . . 5.000 4.053 3.926 4.167 . 0 0 "[ . 1 . 2]" 1
392 1 108 MET H 1 109 TYR H . . 2.800 2.570 2.481 2.628 . 0 0 "[ . 1 . 2]" 1
393 1 108 MET H 1 110 SER H . . 5.000 4.316 4.076 4.561 . 0 0 "[ . 1 . 2]" 1
394 1 108 MET H 1 111 GLN H . . 5.000 4.536 4.406 4.792 . 0 0 "[ . 1 . 2]" 1
395 1 108 MET HA 1 111 GLN QB . . 5.800 2.025 1.940 2.316 . 0 0 "[ . 1 . 2]" 1
396 1 108 MET HA 1 112 MET H . . 5.000 3.889 3.398 4.149 . 0 0 "[ . 1 . 2]" 1
397 1 108 MET ME 1 114 LEU MD1 . . 6.000 3.718 2.982 4.170 . 0 0 "[ . 1 . 2]" 1
398 1 109 TYR H 1 110 SER H . . 2.800 2.771 2.602 2.809 0.009 13 0 "[ . 1 . 2]" 1
399 1 109 TYR H 1 111 GLN H . . 5.000 3.915 3.688 4.060 . 0 0 "[ . 1 . 2]" 1
400 1 109 TYR H 1 112 MET H . . 5.000 4.884 4.561 5.020 0.020 3 0 "[ . 1 . 2]" 1
401 1 109 TYR HA 1 112 MET QB . . 5.800 3.814 2.937 5.211 . 0 0 "[ . 1 . 2]" 1
402 1 109 TYR QD 1 114 LEU QD . . 5.600 2.306 1.899 3.012 . 0 0 "[ . 1 . 2]" 1
403 1 110 SER H 1 111 GLN H . . 2.800 2.358 2.221 2.515 . 0 0 "[ . 1 . 2]" 1
404 1 110 SER H 1 112 MET H . . 5.000 4.047 3.904 4.419 . 0 0 "[ . 1 . 2]" 1
405 1 110 SER H 1 113 GLY H . . 5.000 4.853 4.646 4.995 . 0 0 "[ . 1 . 2]" 1
406 1 111 GLN H 1 112 MET H . . 2.800 2.678 2.605 2.836 0.036 3 0 "[ . 1 . 2]" 1
407 1 111 GLN H 1 113 GLY H . . 5.000 3.956 3.786 4.041 . 0 0 "[ . 1 . 2]" 1
408 1 111 GLN H 1 114 LEU H . . 5.000 5.012 4.997 5.053 0.053 3 0 "[ . 1 . 2]" 1
409 1 112 MET H 1 113 GLY H . . 2.800 2.411 2.284 2.613 . 0 0 "[ . 1 . 2]" 1
410 1 112 MET H 1 114 LEU H . . 5.000 3.601 3.240 3.837 . 0 0 "[ . 1 . 2]" 1
411 1 112 MET H 1 115 ASP H . . 5.000 4.988 4.818 5.006 0.006 13 0 "[ . 1 . 2]" 1
412 1 113 GLY H 1 114 LEU H . . 2.800 2.241 2.010 2.808 0.008 3 0 "[ . 1 . 2]" 1
413 1 113 GLY H 1 115 ASP H . . 5.000 3.805 3.284 4.755 . 0 0 "[ . 1 . 2]" 1
414 1 114 LEU H 1 115 ASP H . . 2.800 2.333 2.102 2.828 0.028 3 0 "[ . 1 . 2]" 1
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