NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447538 |
2kq1   |
16576 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kq1
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 1043
_Distance_constraint_stats_list.Viol_count 1409
_Distance_constraint_stats_list.Viol_total 2633.195
_Distance_constraint_stats_list.Viol_max 0.676
_Distance_constraint_stats_list.Viol_rms 0.0317
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0934
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 3.063 0.243 4 0 "[ . 1 . 2]"
1 4 PHE 7.694 0.247 1 0 "[ . 1 . 2]"
1 5 ASP 3.561 0.263 6 0 "[ . 1 . 2]"
1 6 HIS 2.566 0.263 6 0 "[ . 1 . 2]"
1 7 GLY 0.335 0.118 11 0 "[ . 1 . 2]"
1 8 ASN 3.131 0.198 7 0 "[ . 1 . 2]"
1 9 LEU 3.948 0.198 7 0 "[ . 1 . 2]"
1 10 SER 0.471 0.101 9 0 "[ . 1 . 2]"
1 11 LEU 1.304 0.117 20 0 "[ . 1 . 2]"
1 12 GLY 0.048 0.048 5 0 "[ . 1 . 2]"
1 13 GLU 0.588 0.153 15 0 "[ . 1 . 2]"
1 14 LEU 0.757 0.076 12 0 "[ . 1 . 2]"
1 15 GLU 0.616 0.076 12 0 "[ . 1 . 2]"
1 16 LEU 1.584 0.160 5 0 "[ . 1 . 2]"
1 17 THR 0.084 0.043 13 0 "[ . 1 . 2]"
1 18 VAL 0.016 0.016 1 0 "[ . 1 . 2]"
1 19 LEU 0.122 0.044 13 0 "[ . 1 . 2]"
1 20 TYR 0.140 0.104 17 0 "[ . 1 . 2]"
1 21 ASP 0.289 0.106 20 0 "[ . 1 . 2]"
1 22 GLU 1.916 0.676 14 1 "[ . 1 +. 2]"
1 23 GLU 3.612 0.676 14 1 "[ . 1 +. 2]"
1 24 ARG 1.338 0.180 8 0 "[ . 1 . 2]"
1 25 TYR 1.373 0.128 9 0 "[ . 1 . 2]"
1 26 ASP 1.202 0.140 16 0 "[ . 1 . 2]"
1 27 ILE 1.382 0.140 16 0 "[ . 1 . 2]"
1 28 VAL 0.073 0.029 19 0 "[ . 1 . 2]"
1 29 GLU 0.590 0.085 3 0 "[ . 1 . 2]"
1 30 GLN 0.088 0.080 10 0 "[ . 1 . 2]"
1 31 THR 0.759 0.160 5 0 "[ . 1 . 2]"
1 32 GLU 0.427 0.077 16 0 "[ . 1 . 2]"
1 33 THR 0.250 0.055 11 0 "[ . 1 . 2]"
1 34 VAL 3.859 0.233 3 0 "[ . 1 . 2]"
1 35 GLN 0.610 0.097 9 0 "[ . 1 . 2]"
1 36 VAL 2.009 0.158 12 0 "[ . 1 . 2]"
1 37 ASP 0.021 0.021 10 0 "[ . 1 . 2]"
1 38 LEU 0.118 0.077 10 0 "[ . 1 . 2]"
1 39 GLU 3.187 0.337 1 0 "[ . 1 . 2]"
1 40 GLY 2.552 0.337 1 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.600 0.121 6 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.673 0.100 10 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 1.246 0.123 20 0 "[ . 1 . 2]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ARG 4.837 0.280 16 0 "[ . 1 . 2]"
1 50 PHE 3.711 0.158 10 0 "[ . 1 . 2]"
1 51 ALA 2.659 0.158 10 0 "[ . 1 . 2]"
1 52 ARG 7.004 0.274 8 0 "[ . 1 . 2]"
1 53 PRO 2.457 0.194 17 0 "[ . 1 . 2]"
1 54 SER 12.428 0.446 18 0 "[ . 1 . 2]"
1 55 TYR 1.965 0.162 11 0 "[ . 1 . 2]"
1 56 GLU 0.387 0.078 18 0 "[ . 1 . 2]"
1 57 VAL 0.273 0.078 18 0 "[ . 1 . 2]"
1 58 PHE 0.090 0.037 14 0 "[ . 1 . 2]"
1 59 VAL 2.855 0.183 10 0 "[ . 1 . 2]"
1 60 ASP 1.525 0.183 10 0 "[ . 1 . 2]"
1 61 LEU 1.187 0.102 9 0 "[ . 1 . 2]"
1 62 THR 0.274 0.104 17 0 "[ . 1 . 2]"
1 63 GLU 7.628 0.214 4 0 "[ . 1 . 2]"
1 64 ALA 0.857 0.116 8 0 "[ . 1 . 2]"
1 65 GLY 1.599 0.160 5 0 "[ . 1 . 2]"
1 66 GLU 3.276 0.170 18 0 "[ . 1 . 2]"
1 67 GLY 2.654 0.180 14 0 "[ . 1 . 2]"
1 68 SER 6.083 0.238 15 0 "[ . 1 . 2]"
1 69 HIS 3.948 0.238 15 0 "[ . 1 . 2]"
1 70 THR 0.081 0.045 2 0 "[ . 1 . 2]"
1 71 VAL 0.407 0.069 17 0 "[ . 1 . 2]"
1 72 ASP 0.120 0.046 20 0 "[ . 1 . 2]"
1 73 VAL 0.881 0.093 14 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 PHE 1.446 0.117 20 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLY 0.134 0.084 5 0 "[ . 1 . 2]"
1 81 ASP 3.297 0.159 9 0 "[ . 1 . 2]"
1 82 LEU 1.170 0.070 14 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 4.810 0.271 15 0 "[ . 1 . 2]"
1 86 VAL 10.432 0.444 5 0 "[ . 1 . 2]"
1 87 GLU 5.687 0.353 6 0 "[ . 1 . 2]"
1 88 PRO 9.036 0.390 13 0 "[ . 1 . 2]"
1 89 ARG 15.694 0.444 5 0 "[ . 1 . 2]"
1 90 MET 1.972 0.180 20 0 "[ . 1 . 2]"
1 91 ALA 0.088 0.039 5 0 "[ . 1 . 2]"
1 92 ARG 0.536 0.083 13 0 "[ . 1 . 2]"
1 93 VAL 0.182 0.083 13 0 "[ . 1 . 2]"
1 94 GLN 2.996 0.139 11 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.117 0.055 8 0 "[ . 1 . 2]"
1 97 GLU 0.724 0.117 18 0 "[ . 1 . 2]"
1 98 ARG 6.865 0.314 8 0 "[ . 1 . 2]"
1 99 GLN 7.053 0.408 4 0 "[ . 1 . 2]"
1 100 THR 1.345 0.272 20 0 "[ . 1 . 2]"
1 101 VAL 1.397 0.272 20 0 "[ . 1 . 2]"
1 102 SER 0.637 0.221 7 0 "[ . 1 . 2]"
1 103 VAL 0.053 0.028 5 0 "[ . 1 . 2]"
1 104 PRO 0.329 0.108 5 0 "[ . 1 . 2]"
1 105 VAL 0.332 0.108 5 0 "[ . 1 . 2]"
1 106 THR 1.152 0.241 17 0 "[ . 1 . 2]"
1 107 VAL 1.149 0.241 17 0 "[ . 1 . 2]"
1 108 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 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 3 THR HA 1 4 PHE H . . 2.800 2.441 2.110 3.043 0.243 4 0 "[ . 1 . 2]" 1
2 1 3 THR HB 1 4 PHE H . . 3.590 3.255 1.740 3.782 0.192 4 0 "[ . 1 . 2]" 1
3 1 4 PHE HB2 1 5 ASP H . . 4.020 3.533 1.967 4.210 0.190 20 0 "[ . 1 . 2]" 1
4 1 4 PHE HB3 1 5 ASP H . . 4.020 3.180 1.738 4.098 0.078 16 0 "[ . 1 . 2]" 1
5 1 5 ASP H 1 6 HIS H . . 3.520 3.441 2.661 3.783 0.263 6 0 "[ . 1 . 2]" 1
6 1 5 ASP HB2 1 6 HIS H . . 5.420 4.477 4.151 4.630 . 0 0 "[ . 1 . 2]" 1
7 1 5 ASP HB3 1 6 HIS H . . 5.100 4.417 4.285 4.550 . 0 0 "[ . 1 . 2]" 1
8 1 6 HIS HA 1 7 GLY H . . 2.980 2.293 2.112 2.762 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY H 1 8 ASN H . . 4.450 4.426 4.321 4.568 0.118 11 0 "[ . 1 . 2]" 1
10 1 7 GLY HA2 1 8 ASN H . . 2.940 2.488 2.227 2.750 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA3 1 8 ASN H . . 2.940 2.633 2.411 2.874 . 0 0 "[ . 1 . 2]" 1
12 1 9 LEU HA 1 10 SER H . . 2.720 2.155 2.112 2.225 . 0 0 "[ . 1 . 2]" 1
13 1 9 LEU HB2 1 10 SER H . . 5.600 4.282 4.026 4.383 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU HB3 1 10 SER H . . 5.600 4.140 3.901 4.306 . 0 0 "[ . 1 . 2]" 1
15 1 12 GLY HA2 1 13 GLU H . . 2.980 2.809 2.577 3.028 0.048 5 0 "[ . 1 . 2]" 1
16 1 12 GLY HA3 1 13 GLU H . . 2.980 2.343 2.188 2.534 . 0 0 "[ . 1 . 2]" 1
17 1 13 GLU HA 1 14 LEU H . . 3.050 2.123 2.082 2.185 . 0 0 "[ . 1 . 2]" 1
18 1 13 GLU HB2 1 14 LEU H . . 4.420 3.926 3.289 4.397 . 0 0 "[ . 1 . 2]" 1
19 1 13 GLU HB3 1 14 LEU H . . 4.420 3.900 3.413 4.294 . 0 0 "[ . 1 . 2]" 1
20 1 14 LEU HA 1 15 GLU H . . 2.760 2.246 2.107 2.455 . 0 0 "[ . 1 . 2]" 1
21 1 14 LEU HB3 1 15 GLU H . . 3.700 2.791 2.285 3.204 . 0 0 "[ . 1 . 2]" 1
22 1 14 LEU HB2 1 15 GLU H . . 4.450 3.890 3.459 4.213 . 0 0 "[ . 1 . 2]" 1
23 1 15 GLU HA 1 16 LEU H . . 2.940 2.171 2.115 2.222 . 0 0 "[ . 1 . 2]" 1
24 1 16 LEU HA 1 17 THR H . . 3.340 2.147 2.098 2.235 . 0 0 "[ . 1 . 2]" 1
25 1 17 THR HA 1 18 VAL H . . 2.830 2.177 2.119 2.231 . 0 0 "[ . 1 . 2]" 1
26 1 19 LEU HA 1 20 TYR H . . 3.080 2.133 2.086 2.165 . 0 0 "[ . 1 . 2]" 1
27 1 21 ASP HA 1 22 GLU H . . 2.940 2.259 2.093 2.860 . 0 0 "[ . 1 . 2]" 1
28 1 22 GLU HB2 1 23 GLU H . . 4.850 4.007 2.880 4.432 . 0 0 "[ . 1 . 2]" 1
29 1 22 GLU HB3 1 23 GLU H . . 4.850 4.320 2.978 4.640 . 0 0 "[ . 1 . 2]" 1
30 1 23 GLU H 1 24 ARG H . . 3.010 2.610 2.131 3.141 0.131 20 0 "[ . 1 . 2]" 1
31 1 23 GLU HB2 1 24 ARG H . . 4.740 2.985 1.927 3.933 . 0 0 "[ . 1 . 2]" 1
32 1 24 ARG H 1 25 TYR H . . 2.900 2.276 1.659 2.785 . 0 0 "[ . 1 . 2]" 1
33 1 25 TYR HA 1 26 ASP H . . 3.260 2.323 2.101 2.627 . 0 0 "[ . 1 . 2]" 1
34 1 26 ASP HB2 1 27 ILE H . . 3.800 3.709 2.382 3.940 0.140 16 0 "[ . 1 . 2]" 1
35 1 28 VAL H 1 29 GLU H . . 3.160 2.342 2.003 2.493 . 0 0 "[ . 1 . 2]" 1
36 1 28 VAL HB 1 29 GLU H . . 3.120 2.483 2.326 2.885 . 0 0 "[ . 1 . 2]" 1
37 1 29 GLU HA 1 30 GLN H . . 2.620 2.335 2.264 2.427 . 0 0 "[ . 1 . 2]" 1
38 1 30 GLN HA 1 31 THR H . . 3.120 2.459 2.261 2.637 . 0 0 "[ . 1 . 2]" 1
39 1 31 THR HB 1 32 GLU H . . 4.880 4.161 3.008 4.454 . 0 0 "[ . 1 . 2]" 1
40 1 32 GLU H 1 33 THR H . . 3.080 2.818 2.401 3.111 0.031 9 0 "[ . 1 . 2]" 1
41 1 32 GLU HB2 1 33 THR H . . 3.910 2.294 1.861 3.134 . 0 0 "[ . 1 . 2]" 1
42 1 32 GLU HB3 1 33 THR H . . 3.910 3.277 2.237 3.899 . 0 0 "[ . 1 . 2]" 1
43 1 33 THR HA 1 34 VAL H . . 3.010 2.255 2.199 2.414 . 0 0 "[ . 1 . 2]" 1
44 1 33 THR HB 1 34 VAL H . . 3.520 2.790 2.385 2.979 . 0 0 "[ . 1 . 2]" 1
45 1 34 VAL HA 1 35 GLN H . . 3.010 2.278 2.193 2.408 . 0 0 "[ . 1 . 2]" 1
46 1 34 VAL HB 1 35 GLN H . . 3.770 2.969 2.416 3.823 0.053 2 0 "[ . 1 . 2]" 1
47 1 35 GLN HA 1 36 VAL H . . 3.120 2.139 2.100 2.188 . 0 0 "[ . 1 . 2]" 1
48 1 37 ASP HA 1 38 LEU H . . 3.080 2.246 2.161 2.384 . 0 0 "[ . 1 . 2]" 1
49 1 37 ASP HB2 1 38 LEU H . . 5.680 4.086 3.687 4.318 . 0 0 "[ . 1 . 2]" 1
50 1 37 ASP HB3 1 38 LEU H . . 4.920 3.641 2.520 4.140 . 0 0 "[ . 1 . 2]" 1
51 1 38 LEU HA 1 39 GLU H . . 3.260 2.170 2.109 2.254 . 0 0 "[ . 1 . 2]" 1
52 1 38 LEU HB2 1 39 GLU H . . 5.060 4.045 2.909 4.279 . 0 0 "[ . 1 . 2]" 1
53 1 39 GLU HA 1 40 GLY H . . 2.940 2.280 2.177 2.412 . 0 0 "[ . 1 . 2]" 1
54 1 41 PRO HA 1 42 ARG H . . 3.550 2.145 2.106 2.275 . 0 0 "[ . 1 . 2]" 1
55 1 43 GLY H 1 44 VAL H . . 5.170 2.813 2.723 2.891 . 0 0 "[ . 1 . 2]" 1
56 1 45 LEU H 1 46 THR H . . 3.590 2.700 2.604 2.785 . 0 0 "[ . 1 . 2]" 1
57 1 45 LEU HB3 1 46 THR H . . 4.600 3.688 3.517 3.827 . 0 0 "[ . 1 . 2]" 1
58 1 46 THR H 1 47 VAL H . . 3.480 2.651 2.567 2.771 . 0 0 "[ . 1 . 2]" 1
59 1 49 ARG H 1 50 PHE H . . 3.480 2.596 2.501 2.714 . 0 0 "[ . 1 . 2]" 1
60 1 50 PHE H 1 51 ALA H . . 2.830 2.421 2.167 2.541 . 0 0 "[ . 1 . 2]" 1
61 1 51 ALA H 1 52 ARG H . . 4.450 4.513 4.391 4.568 0.118 19 0 "[ . 1 . 2]" 1
62 1 51 ALA HA 1 52 ARG H . . 2.760 2.242 2.127 2.516 . 0 0 "[ . 1 . 2]" 1
63 1 53 PRO HA 1 54 SER H . . 2.760 2.101 2.072 2.125 . 0 0 "[ . 1 . 2]" 1
64 1 53 PRO HB2 1 54 SER H . . 3.800 3.857 3.710 3.994 0.194 17 0 "[ . 1 . 2]" 1
65 1 53 PRO HB3 1 54 SER H . . 3.800 3.809 3.539 3.931 0.131 7 0 "[ . 1 . 2]" 1
66 1 54 SER H 1 55 TYR H . . 2.940 1.992 1.757 2.412 . 0 0 "[ . 1 . 2]" 1
67 1 54 SER HA 1 55 TYR H . . 3.080 3.059 2.836 3.168 0.088 16 0 "[ . 1 . 2]" 1
68 1 54 SER HB2 1 55 TYR H . . 4.240 3.913 3.539 4.357 0.117 6 0 "[ . 1 . 2]" 1
69 1 55 TYR HA 1 56 GLU H . . 3.190 2.182 2.103 2.317 . 0 0 "[ . 1 . 2]" 1
70 1 56 GLU HA 1 57 VAL H . . 2.800 2.251 2.199 2.322 . 0 0 "[ . 1 . 2]" 1
71 1 56 GLU HB2 1 57 VAL H . . 4.130 3.979 3.748 4.208 0.078 18 0 "[ . 1 . 2]" 1
72 1 57 VAL HA 1 58 PHE H . . 3.300 2.194 2.154 2.309 . 0 0 "[ . 1 . 2]" 1
73 1 58 PHE HA 1 59 VAL H . . 3.520 2.264 2.194 2.340 . 0 0 "[ . 1 . 2]" 1
74 1 59 VAL HA 1 60 ASP H . . 3.190 2.199 2.159 2.277 . 0 0 "[ . 1 . 2]" 1
75 1 59 VAL HB 1 60 ASP H . . 3.800 3.572 2.807 3.983 0.183 10 0 "[ . 1 . 2]" 1
76 1 60 ASP HA 1 61 LEU H . . 3.340 2.125 2.094 2.157 . 0 0 "[ . 1 . 2]" 1
77 1 61 LEU H 1 62 THR H . . 4.380 2.771 2.262 4.162 . 0 0 "[ . 1 . 2]" 1
78 1 62 THR H 1 63 GLU H . . 3.910 2.457 1.914 2.741 . 0 0 "[ . 1 . 2]" 1
79 1 63 GLU H 1 64 ALA H . . 2.870 2.375 2.010 2.776 . 0 0 "[ . 1 . 2]" 1
80 1 63 GLU HA 1 64 ALA H . . 3.410 3.339 3.191 3.526 0.116 8 0 "[ . 1 . 2]" 1
81 1 63 GLU HB3 1 64 ALA H . . 4.850 4.013 2.862 4.360 . 0 0 "[ . 1 . 2]" 1
82 1 64 ALA HA 1 65 GLY H . . 2.870 2.329 2.110 2.886 0.016 8 0 "[ . 1 . 2]" 1
83 1 65 GLY HA2 1 66 GLU H . . 3.340 3.079 2.193 3.490 0.150 13 0 "[ . 1 . 2]" 1
84 1 65 GLY HA3 1 66 GLU H . . 3.340 2.397 2.127 3.500 0.160 5 0 "[ . 1 . 2]" 1
85 1 66 GLU HA 1 67 GLY H . . 3.120 2.355 2.184 2.832 . 0 0 "[ . 1 . 2]" 1
86 1 67 GLY H 1 68 SER H . . 4.340 4.366 3.984 4.520 0.180 14 0 "[ . 1 . 2]" 1
87 1 67 GLY HA3 1 68 SER H . . 3.010 2.558 2.058 3.114 0.104 15 0 "[ . 1 . 2]" 1
88 1 68 SER HA 1 69 HIS H . . 2.980 2.158 2.090 2.283 . 0 0 "[ . 1 . 2]" 1
89 1 69 HIS HA 1 70 THR H . . 3.190 2.147 2.084 2.227 . 0 0 "[ . 1 . 2]" 1
90 1 70 THR HA 1 71 VAL H . . 3.050 2.154 2.124 2.188 . 0 0 "[ . 1 . 2]" 1
91 1 71 VAL HA 1 72 ASP H . . 2.900 2.430 2.308 2.506 . 0 0 "[ . 1 . 2]" 1
92 1 72 ASP HA 1 73 VAL H . . 2.980 2.243 2.156 2.339 . 0 0 "[ . 1 . 2]" 1
93 1 72 ASP HB2 1 73 VAL H . . 4.160 3.515 2.635 4.206 0.046 20 0 "[ . 1 . 2]" 1
94 1 72 ASP HB3 1 73 VAL H . . 4.160 3.615 2.654 4.135 . 0 0 "[ . 1 . 2]" 1
95 1 75 HIS HA 1 76 ARG H . . 3.410 2.275 2.235 2.374 . 0 0 "[ . 1 . 2]" 1
96 1 76 ARG HA 1 77 GLY H . . 3.190 2.346 2.216 2.450 . 0 0 "[ . 1 . 2]" 1
97 1 80 GLY H 1 81 ASP H . . 3.340 2.983 2.456 3.424 0.084 5 0 "[ . 1 . 2]" 1
98 1 81 ASP HA 1 82 LEU H . . 3.440 3.455 3.342 3.510 0.070 14 0 "[ . 1 . 2]" 1
99 1 81 ASP HB3 1 82 LEU H . . 3.980 2.843 2.203 3.794 . 0 0 "[ . 1 . 2]" 1
100 1 82 LEU HA 1 83 ALA H . . 3.260 2.498 2.345 2.821 . 0 0 "[ . 1 . 2]" 1
101 1 83 ALA H 1 84 VAL H . . 4.810 4.343 4.220 4.521 . 0 0 "[ . 1 . 2]" 1
102 1 83 ALA HA 1 84 VAL H . . 2.870 2.145 2.120 2.199 . 0 0 "[ . 1 . 2]" 1
103 1 84 VAL HA 1 85 THR H . . 3.120 2.147 2.126 2.181 . 0 0 "[ . 1 . 2]" 1
104 1 86 VAL HA 1 87 GLU H . . 2.870 2.316 2.110 2.503 . 0 0 "[ . 1 . 2]" 1
105 1 88 PRO HA 1 89 ARG H . . 2.900 2.177 2.047 2.287 . 0 0 "[ . 1 . 2]" 1
106 1 88 PRO HB2 1 89 ARG H . . 3.730 3.676 3.490 3.901 0.171 1 0 "[ . 1 . 2]" 1
107 1 88 PRO HB3 1 89 ARG H . . 3.730 3.788 3.322 4.120 0.390 13 0 "[ . 1 . 2]" 1
108 1 89 ARG H 1 90 MET H . . 2.980 2.202 1.916 2.656 . 0 0 "[ . 1 . 2]" 1
109 1 90 MET HA 1 91 ALA H . . 3.050 2.242 2.153 2.417 . 0 0 "[ . 1 . 2]" 1
110 1 91 ALA HA 1 92 ARG H . . 2.940 2.219 2.095 2.385 . 0 0 "[ . 1 . 2]" 1
111 1 92 ARG HB3 1 93 VAL H . . 5.460 4.189 3.927 4.348 . 0 0 "[ . 1 . 2]" 1
112 1 93 VAL HA 1 94 GLN H . . 3.230 2.182 2.128 2.243 . 0 0 "[ . 1 . 2]" 1
113 1 93 VAL HB 1 94 GLN H . . 4.700 4.139 3.990 4.240 . 0 0 "[ . 1 . 2]" 1
114 1 94 GLN HA 1 95 LEU H . . 3.300 2.117 2.100 2.155 . 0 0 "[ . 1 . 2]" 1
115 1 95 LEU HA 1 96 GLU H . . 2.980 2.150 2.107 2.192 . 0 0 "[ . 1 . 2]" 1
116 1 96 GLU HA 1 97 GLU H . . 3.010 2.232 2.162 2.282 . 0 0 "[ . 1 . 2]" 1
117 1 96 GLU HB3 1 97 GLU H . . 4.200 3.766 2.858 4.092 . 0 0 "[ . 1 . 2]" 1
118 1 97 GLU HA 1 98 ARG H . . 3.120 2.271 2.091 2.817 . 0 0 "[ . 1 . 2]" 1
119 1 97 GLU HB3 1 98 ARG H . . 4.670 4.174 3.353 4.635 . 0 0 "[ . 1 . 2]" 1
120 1 98 ARG H 1 99 GLN H . . 5.860 4.293 3.550 4.610 . 0 0 "[ . 1 . 2]" 1
121 1 98 ARG HB2 1 99 GLN H . . 3.980 3.742 1.960 4.277 0.297 2 0 "[ . 1 . 2]" 1
122 1 98 ARG HB3 1 99 GLN H . . 3.950 3.819 3.103 4.224 0.274 2 0 "[ . 1 . 2]" 1
123 1 99 GLN HA 1 100 THR H . . 3.440 2.644 2.125 3.557 0.117 2 0 "[ . 1 . 2]" 1
124 1 99 GLN HB2 1 100 THR H . . 4.810 3.779 2.351 4.630 . 0 0 "[ . 1 . 2]" 1
125 1 101 VAL HB 1 102 SER H . . 4.580 3.937 1.889 4.471 . 0 0 "[ . 1 . 2]" 1
126 1 105 VAL HB 1 106 THR H . . 4.900 3.905 2.602 4.442 . 0 0 "[ . 1 . 2]" 1
127 1 107 VAL HB 1 108 GLU H . . 5.230 3.657 2.150 4.529 . 0 0 "[ . 1 . 2]" 1
128 1 109 MET HA 1 110 ILE H . . 4.150 2.359 2.088 3.552 . 0 0 "[ . 1 . 2]" 1
129 1 110 ILE H 1 111 ASN H . . 5.320 3.860 1.709 4.572 . 0 0 "[ . 1 . 2]" 1
130 1 110 ILE HA 1 111 ASN H . . 4.000 2.437 2.114 3.506 . 0 0 "[ . 1 . 2]" 1
131 1 110 ILE HB 1 111 ASN H . . 6.400 3.680 1.828 4.460 . 0 0 "[ . 1 . 2]" 1
132 1 111 ASN HA 1 112 LEU H . . 4.150 2.236 2.109 3.181 . 0 0 "[ . 1 . 2]" 1
133 1 4 PHE H 1 4 PHE HB2 . . 3.410 2.856 2.198 3.657 0.247 1 0 "[ . 1 . 2]" 1
134 1 4 PHE H 1 4 PHE HB3 . . 3.410 3.229 2.588 3.655 0.245 2 0 "[ . 1 . 2]" 1
135 1 5 ASP H 1 5 ASP HB3 . . 3.520 3.002 2.599 3.642 0.122 9 0 "[ . 1 . 2]" 1
136 1 8 ASN H 1 8 ASN HB2 . . 3.840 2.888 2.553 3.853 0.013 3 0 "[ . 1 . 2]" 1
137 1 8 ASN H 1 8 ASN HB3 . . 3.840 3.753 3.625 3.836 . 0 0 "[ . 1 . 2]" 1
138 1 10 SER H 1 10 SER HB2 . . 3.800 2.904 2.432 3.635 . 0 0 "[ . 1 . 2]" 1
139 1 10 SER H 1 10 SER HB3 . . 3.800 3.436 2.956 3.795 . 0 0 "[ . 1 . 2]" 1
140 1 13 GLU H 1 13 GLU HB2 . . 3.660 3.048 2.356 3.688 0.028 7 0 "[ . 1 . 2]" 1
141 1 13 GLU H 1 13 GLU HB3 . . 3.660 3.289 2.803 3.666 0.006 1 0 "[ . 1 . 2]" 1
142 1 14 LEU H 1 14 LEU HB2 . . 3.880 2.485 2.384 2.611 . 0 0 "[ . 1 . 2]" 1
143 1 16 LEU H 1 16 LEU HB2 . . 3.730 2.669 2.334 3.769 0.039 7 0 "[ . 1 . 2]" 1
144 1 16 LEU H 1 16 LEU HB3 . . 3.730 2.552 2.343 3.053 . 0 0 "[ . 1 . 2]" 1
145 1 18 VAL H 1 18 VAL HB . . 3.520 2.593 2.528 2.629 . 0 0 "[ . 1 . 2]" 1
146 1 21 ASP H 1 21 ASP HB2 . . 4.200 2.833 2.338 3.849 . 0 0 "[ . 1 . 2]" 1
147 1 21 ASP H 1 21 ASP HB3 . . 4.200 2.908 2.464 3.842 . 0 0 "[ . 1 . 2]" 1
148 1 22 GLU H 1 22 GLU HB2 . . 3.700 3.160 1.982 3.631 . 0 0 "[ . 1 . 2]" 1
149 1 23 GLU H 1 23 GLU HB2 . . 3.520 2.553 2.221 3.584 0.064 9 0 "[ . 1 . 2]" 1
150 1 24 ARG H 1 24 ARG HB2 . . 3.590 2.640 2.318 3.135 . 0 0 "[ . 1 . 2]" 1
151 1 24 ARG H 1 24 ARG HB3 . . 3.590 3.391 2.636 3.770 0.180 8 0 "[ . 1 . 2]" 1
152 1 25 TYR H 1 25 TYR HB2 . . 3.800 2.694 2.526 2.877 . 0 0 "[ . 1 . 2]" 1
153 1 25 TYR H 1 25 TYR HB3 . . 3.800 3.782 3.642 3.903 0.103 15 0 "[ . 1 . 2]" 1
154 1 27 ILE H 1 27 ILE HB . . 3.190 2.560 2.518 2.709 . 0 0 "[ . 1 . 2]" 1
155 1 31 THR H 1 31 THR HB . . 3.550 2.677 2.535 3.525 . 0 0 "[ . 1 . 2]" 1
156 1 32 GLU H 1 32 GLU HB3 . . 3.840 3.552 2.947 3.641 . 0 0 "[ . 1 . 2]" 1
157 1 36 VAL H 1 36 VAL HB . . 3.440 2.885 2.669 3.283 . 0 0 "[ . 1 . 2]" 1
158 1 38 LEU H 1 38 LEU HB2 . . 4.130 2.651 2.485 3.688 . 0 0 "[ . 1 . 2]" 1
159 1 38 LEU H 1 38 LEU HB3 . . 4.130 3.730 3.484 3.811 . 0 0 "[ . 1 . 2]" 1
160 1 39 GLU H 1 39 GLU HB3 . . 4.160 3.387 2.578 3.816 . 0 0 "[ . 1 . 2]" 1
161 1 39 GLU H 1 39 GLU HB2 . . 3.910 2.714 2.404 3.280 . 0 0 "[ . 1 . 2]" 1
162 1 44 VAL H 1 44 VAL HB . . 3.160 2.582 2.538 2.649 . 0 0 "[ . 1 . 2]" 1
163 1 45 LEU H 1 45 LEU HB2 . . 3.230 2.503 2.337 2.609 . 0 0 "[ . 1 . 2]" 1
164 1 45 LEU H 1 45 LEU HB3 . . 3.620 3.582 3.559 3.592 . 0 0 "[ . 1 . 2]" 1
165 1 52 ARG H 1 52 ARG HB2 . . 2.900 2.303 2.151 2.586 . 0 0 "[ . 1 . 2]" 1
166 1 52 ARG H 1 52 ARG HB3 . . 3.300 3.466 2.528 3.574 0.274 8 0 "[ . 1 . 2]" 1
167 1 56 GLU H 1 56 GLU HB2 . . 3.980 2.845 2.455 3.264 . 0 0 "[ . 1 . 2]" 1
168 1 60 ASP H 1 60 ASP HB2 . . 3.880 2.813 2.318 3.746 . 0 0 "[ . 1 . 2]" 1
169 1 60 ASP H 1 60 ASP HB3 . . 3.880 2.811 2.447 3.677 . 0 0 "[ . 1 . 2]" 1
170 1 63 GLU H 1 63 GLU HB2 . . 3.880 2.450 2.267 2.534 . 0 0 "[ . 1 . 2]" 1
171 1 63 GLU H 1 63 GLU HB3 . . 3.620 3.620 3.524 3.674 0.054 6 0 "[ . 1 . 2]" 1
172 1 66 GLU H 1 66 GLU HB2 . . 3.550 3.086 2.406 3.693 0.143 18 0 "[ . 1 . 2]" 1
173 1 66 GLU H 1 66 GLU HB3 . . 3.550 3.230 2.496 3.700 0.150 8 0 "[ . 1 . 2]" 1
174 1 72 ASP H 1 72 ASP HB2 . . 3.770 3.000 2.301 3.695 . 0 0 "[ . 1 . 2]" 1
175 1 72 ASP H 1 72 ASP HB3 . . 3.770 2.951 2.431 3.635 . 0 0 "[ . 1 . 2]" 1
176 1 73 VAL H 1 73 VAL HB . . 3.340 2.543 2.470 2.685 . 0 0 "[ . 1 . 2]" 1
177 1 81 ASP H 1 81 ASP HB2 . . 3.340 2.608 2.191 3.124 . 0 0 "[ . 1 . 2]" 1
178 1 82 LEU H 1 82 LEU HB2 . . 3.590 2.549 2.412 3.629 0.039 12 0 "[ . 1 . 2]" 1
179 1 82 LEU H 1 82 LEU HB3 . . 3.590 3.595 3.292 3.638 0.048 18 0 "[ . 1 . 2]" 1
180 1 84 VAL H 1 84 VAL HB . . 3.340 2.553 2.498 2.658 . 0 0 "[ . 1 . 2]" 1
181 1 93 VAL H 1 93 VAL HB . . 4.200 2.943 2.708 3.374 . 0 0 "[ . 1 . 2]" 1
182 1 100 THR H 1 100 THR HB . . 3.960 3.143 2.519 3.852 . 0 0 "[ . 1 . 2]" 1
183 1 103 VAL H 1 103 VAL HB . . 3.870 3.136 2.540 3.774 . 0 0 "[ . 1 . 2]" 1
184 1 105 VAL H 1 105 VAL HB . . 3.770 3.261 2.563 3.770 . 0 0 "[ . 1 . 2]" 1
185 1 6 HIS H 1 7 GLY H . . 4.810 4.339 3.818 4.621 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU H 1 12 GLY H . . 3.590 2.339 2.225 2.572 . 0 0 "[ . 1 . 2]" 1
187 1 22 GLU H 1 23 GLU H . . 3.120 2.696 2.376 3.297 0.177 14 0 "[ . 1 . 2]" 1
188 1 42 ARG H 1 43 GLY H . . 4.670 2.743 2.615 2.928 . 0 0 "[ . 1 . 2]" 1
189 1 44 VAL H 1 45 LEU H . . 3.230 2.614 2.518 2.708 . 0 0 "[ . 1 . 2]" 1
190 1 47 VAL H 1 48 PHE H . . 3.120 2.657 2.502 2.947 . 0 0 "[ . 1 . 2]" 1
191 1 64 ALA H 1 65 GLY H . . 4.670 4.523 4.324 4.649 . 0 0 "[ . 1 . 2]" 1
192 1 65 GLY H 1 66 GLU H . . 3.840 3.556 1.838 3.997 0.157 8 0 "[ . 1 . 2]" 1
193 1 81 ASP H 1 82 LEU H . . 3.080 2.307 1.750 2.759 . 0 0 "[ . 1 . 2]" 1
194 1 99 GLN H 1 100 THR H . . 5.750 3.854 2.516 4.576 . 0 0 "[ . 1 . 2]" 1
195 1 102 SER H 1 103 VAL H . . 4.670 3.655 1.905 4.515 . 0 0 "[ . 1 . 2]" 1
196 1 42 ARG HA 1 45 LEU H . . 4.270 3.386 2.872 3.732 . 0 0 "[ . 1 . 2]" 1
197 1 7 GLY H 1 40 GLY H . . 3.410 3.018 2.403 3.419 0.009 11 0 "[ . 1 . 2]" 1
198 1 9 LEU H 1 39 GLU HA . . 3.840 3.690 3.390 3.914 0.074 12 0 "[ . 1 . 2]" 1
199 1 14 LEU H 1 34 VAL H . . 3.700 2.861 2.508 3.174 . 0 0 "[ . 1 . 2]" 1
200 1 16 LEU H 1 33 THR HA . . 3.770 3.101 2.733 3.441 . 0 0 "[ . 1 . 2]" 1
201 1 17 THR H 1 58 PHE HA . . 3.980 2.746 2.359 3.545 . 0 0 "[ . 1 . 2]" 1
202 1 21 ASP HA 1 23 GLU H . . 4.310 3.780 3.374 4.416 0.106 20 0 "[ . 1 . 2]" 1
203 1 26 ASP H 1 96 GLU H . . 3.840 2.821 2.450 3.456 . 0 0 "[ . 1 . 2]" 1
204 1 27 ILE HA 1 29 GLU H . . 3.950 3.875 3.511 4.003 0.053 17 0 "[ . 1 . 2]" 1
205 1 29 GLU H 1 94 GLN H . . 3.620 2.919 2.627 3.250 . 0 0 "[ . 1 . 2]" 1
206 1 16 LEU H 1 34 VAL H . . 4.630 4.558 4.187 4.726 0.096 6 0 "[ . 1 . 2]" 1
207 1 12 GLY H 1 36 VAL H . . 4.160 3.475 2.945 4.134 . 0 0 "[ . 1 . 2]" 1
208 1 8 ASN HA 1 40 GLY H . . 5.500 3.843 3.384 4.234 . 0 0 "[ . 1 . 2]" 1
209 1 6 HIS HA 1 42 ARG H . . 3.840 3.632 2.788 3.961 0.121 6 0 "[ . 1 . 2]" 1
210 1 47 VAL H 1 48 PHE QB . . 5.620 4.421 4.195 5.268 . 0 0 "[ . 1 . 2]" 1
211 1 47 VAL HA 1 50 PHE H . . 4.200 3.552 3.248 3.844 . 0 0 "[ . 1 . 2]" 1
212 1 48 PHE HA 1 51 ALA H . . 4.060 3.490 3.139 3.720 . 0 0 "[ . 1 . 2]" 1
213 1 49 ARG H 1 51 ALA H . . 4.450 4.114 3.804 4.342 . 0 0 "[ . 1 . 2]" 1
214 1 53 PRO HA 1 55 TYR H . . 3.620 3.183 2.684 3.621 0.001 12 0 "[ . 1 . 2]" 1
215 1 18 VAL HA 1 59 VAL H . . 3.950 2.694 2.375 2.975 . 0 0 "[ . 1 . 2]" 1
216 1 61 LEU HA 1 64 ALA H . . 4.020 3.492 2.812 4.014 . 0 0 "[ . 1 . 2]" 1
217 1 61 LEU HA 1 63 GLU H . . 4.880 3.294 2.862 3.911 . 0 0 "[ . 1 . 2]" 1
218 1 71 VAL H 1 91 ALA H . . 3.480 2.902 2.684 3.145 . 0 0 "[ . 1 . 2]" 1
219 1 73 VAL H 1 91 ALA H . . 4.670 4.418 4.161 4.709 0.039 5 0 "[ . 1 . 2]" 1
220 1 73 VAL H 1 90 MET HA . . 3.770 3.559 2.998 3.863 0.093 14 0 "[ . 1 . 2]" 1
221 1 56 GLU H 1 76 ARG H . . 3.950 3.340 2.763 3.887 . 0 0 "[ . 1 . 2]" 1
222 1 36 VAL HA 1 85 THR H . . 4.560 4.636 4.568 4.718 0.158 12 0 "[ . 1 . 2]" 1
223 1 38 LEU HA 1 85 THR H . . 5.210 3.163 2.615 3.568 . 0 0 "[ . 1 . 2]" 1
224 1 37 ASP H 1 85 THR H . . 4.020 3.145 2.863 3.341 . 0 0 "[ . 1 . 2]" 1
225 1 35 GLN H 1 87 GLU H . . 3.880 3.197 2.796 3.636 . 0 0 "[ . 1 . 2]" 1
226 1 88 PRO HA 1 90 MET H . . 4.420 3.803 3.380 4.417 . 0 0 "[ . 1 . 2]" 1
227 1 28 VAL H 1 96 GLU H . . 4.420 3.878 3.451 4.102 . 0 0 "[ . 1 . 2]" 1
228 1 25 TYR HA 1 98 ARG H . . 3.620 3.367 2.519 3.728 0.108 7 0 "[ . 1 . 2]" 1
229 1 26 ASP H 1 98 ARG H . . 4.310 3.455 2.545 4.336 0.026 3 0 "[ . 1 . 2]" 1
230 1 8 ASN H 1 9 LEU H . . 4.420 4.400 4.292 4.454 0.034 19 0 "[ . 1 . 2]" 1
231 1 30 GLN HA 1 94 GLN H . . 3.910 3.546 3.177 3.990 0.080 10 0 "[ . 1 . 2]" 1
232 1 68 SER H 1 69 HIS H . . 4.560 4.503 4.327 4.559 . 0 0 "[ . 1 . 2]" 1
233 1 55 TYR H 1 56 GLU H . . 4.490 4.452 4.210 4.554 0.064 15 0 "[ . 1 . 2]" 1
234 1 45 LEU HA 1 48 PHE H . . 4.450 3.561 3.263 4.046 . 0 0 "[ . 1 . 2]" 1
235 1 19 LEU H 1 59 VAL H . . 4.450 3.297 2.930 4.060 . 0 0 "[ . 1 . 2]" 1
236 1 39 GLU H 1 83 ALA H . . 3.880 3.185 2.917 3.792 . 0 0 "[ . 1 . 2]" 1
237 1 7 GLY H 1 42 ARG H . . 4.270 3.620 2.800 4.294 0.024 6 0 "[ . 1 . 2]" 1
238 1 79 PRO QB 1 81 ASP H . . 5.050 2.568 2.084 3.008 . 0 0 "[ . 1 . 2]" 1
239 1 9 LEU HG 1 10 SER H . . 4.600 3.565 2.539 4.701 0.101 9 0 "[ . 1 . 2]" 1
240 1 14 LEU HG 1 15 GLU H . . 4.960 4.968 4.825 5.036 0.076 12 0 "[ . 1 . 2]" 1
241 1 20 TYR QD 1 21 ASP H . . 8.130 3.163 2.626 3.888 . 0 0 "[ . 1 . 2]" 1
242 1 22 GLU HG2 1 23 GLU H . . 5.100 4.378 3.473 5.134 0.034 20 0 "[ . 1 . 2]" 1
243 1 22 GLU HG3 1 23 GLU H . . 5.100 4.069 2.779 5.776 0.676 14 1 "[ . 1 +. 2]" 1
244 1 32 GLU HG2 1 33 THR H . . 4.880 4.646 2.908 4.935 0.055 11 0 "[ . 1 . 2]" 1
245 1 35 GLN HG2 1 36 VAL H . . 4.850 3.647 2.566 4.932 0.082 13 0 "[ . 1 . 2]" 1
246 1 56 GLU QG 1 57 VAL H . . 5.300 3.325 2.345 4.050 . 0 0 "[ . 1 . 2]" 1
247 1 63 GLU HG3 1 64 ALA H . . 4.810 4.657 4.122 4.867 0.057 14 0 "[ . 1 . 2]" 1
248 1 66 GLU QG 1 67 GLY H . . 6.050 3.713 1.691 4.687 . 0 0 "[ . 1 . 2]" 1
249 1 89 ARG HG2 1 90 MET H . . 4.630 4.279 2.721 4.810 0.180 20 0 "[ . 1 . 2]" 1
250 1 89 ARG HG3 1 90 MET H . . 4.630 3.963 2.584 4.809 0.179 7 0 "[ . 1 . 2]" 1
251 1 98 ARG HG2 1 99 GLN H . . 4.450 3.295 1.974 4.531 0.081 11 0 "[ . 1 . 2]" 1
252 1 98 ARG HG3 1 99 GLN H . . 4.450 2.731 1.751 4.478 0.028 1 0 "[ . 1 . 2]" 1
253 1 99 GLN QG 1 100 THR H . . 7.400 3.397 1.719 4.562 . 0 0 "[ . 1 . 2]" 1
254 1 9 LEU H 1 9 LEU HG . . 4.880 4.677 4.451 5.062 0.182 17 0 "[ . 1 . 2]" 1
255 1 13 GLU H 1 13 GLU HG2 . . 3.590 2.597 1.765 3.743 0.153 15 0 "[ . 1 . 2]" 1
256 1 13 GLU H 1 13 GLU HG3 . . 3.590 2.981 2.485 3.644 0.054 16 0 "[ . 1 . 2]" 1
257 1 14 LEU H 1 14 LEU HG . . 4.020 2.761 2.617 3.101 . 0 0 "[ . 1 . 2]" 1
258 1 15 GLU H 1 15 GLU HG2 . . 4.130 3.569 3.368 3.908 . 0 0 "[ . 1 . 2]" 1
259 1 22 GLU H 1 22 GLU HG3 . . 3.770 2.786 1.767 3.858 0.088 14 0 "[ . 1 . 2]" 1
260 1 23 GLU H 1 23 GLU HG3 . . 3.550 2.969 2.004 3.650 0.100 10 0 "[ . 1 . 2]" 1
261 1 27 ILE H 1 27 ILE HG12 . . 4.600 3.506 3.205 3.611 . 0 0 "[ . 1 . 2]" 1
262 1 27 ILE H 1 27 ILE HG13 . . 4.600 2.278 1.895 2.421 . 0 0 "[ . 1 . 2]" 1
263 1 32 GLU H 1 32 GLU HG3 . . 3.700 2.519 1.899 3.747 0.047 13 0 "[ . 1 . 2]" 1
264 1 38 LEU H 1 38 LEU HG . . 4.060 2.999 2.190 4.099 0.039 5 0 "[ . 1 . 2]" 1
265 1 45 LEU H 1 45 LEU HG . . 5.710 2.214 2.007 2.500 . 0 0 "[ . 1 . 2]" 1
266 1 49 ARG H 1 49 ARG HG2 . . 4.160 3.581 2.908 4.440 0.280 16 0 "[ . 1 . 2]" 1
267 1 49 ARG H 1 49 ARG HG3 . . 4.160 3.898 2.320 4.339 0.179 17 0 "[ . 1 . 2]" 1
268 1 52 ARG H 1 52 ARG HG2 . . 4.200 3.609 2.703 4.372 0.172 11 0 "[ . 1 . 2]" 1
269 1 52 ARG H 1 52 ARG HG3 . . 4.200 2.701 2.172 4.269 0.069 11 0 "[ . 1 . 2]" 1
270 1 63 GLU H 1 63 GLU HG2 . . 3.980 3.280 2.148 3.997 0.017 13 0 "[ . 1 . 2]" 1
271 1 63 GLU H 1 63 GLU HG3 . . 3.440 2.896 2.396 3.610 0.170 8 0 "[ . 1 . 2]" 1
272 1 82 LEU H 1 82 LEU HG . . 3.370 2.417 2.030 3.199 . 0 0 "[ . 1 . 2]" 1
273 1 89 ARG H 1 89 ARG HG2 . . 3.880 2.991 1.791 3.540 . 0 0 "[ . 1 . 2]" 1
274 1 90 MET H 1 90 MET QG . . 4.540 3.230 2.612 4.210 . 0 0 "[ . 1 . 2]" 1
275 1 94 GLN H 1 94 GLN HG2 . . 5.170 4.342 2.220 4.813 . 0 0 "[ . 1 . 2]" 1
276 1 94 GLN H 1 94 GLN HG3 . . 5.170 4.477 2.921 4.666 . 0 0 "[ . 1 . 2]" 1
277 1 98 ARG H 1 98 ARG HG2 . . 5.680 4.489 1.978 5.273 . 0 0 "[ . 1 . 2]" 1
278 1 98 ARG H 1 98 ARG HG3 . . 5.680 4.466 2.887 4.867 . 0 0 "[ . 1 . 2]" 1
279 1 99 GLN H 1 99 GLN QG . . 4.610 3.410 1.806 4.385 . 0 0 "[ . 1 . 2]" 1
280 1 94 GLN HE21 1 94 GLN HG2 . . 3.620 2.387 2.195 2.900 . 0 0 "[ . 1 . 2]" 1
281 1 94 GLN HE21 1 94 GLN HG3 . . 3.620 2.721 2.204 2.908 . 0 0 "[ . 1 . 2]" 1
282 1 94 GLN HE22 1 94 GLN HG2 . . 3.620 3.533 3.449 3.751 0.131 13 0 "[ . 1 . 2]" 1
283 1 94 GLN HE22 1 94 GLN HG3 . . 3.620 3.678 3.463 3.759 0.139 11 0 "[ . 1 . 2]" 1
284 1 8 ASN HD21 1 39 GLU HG3 . . 6.000 3.317 2.293 4.753 . 0 0 "[ . 1 . 2]" 1
285 1 8 ASN HD21 1 39 GLU HB3 . . 5.030 4.203 3.441 5.109 0.079 7 0 "[ . 1 . 2]" 1
286 1 8 ASN HD22 1 39 GLU HG3 . . 6.000 3.650 2.096 6.012 0.012 1 0 "[ . 1 . 2]" 1
287 1 8 ASN HD22 1 39 GLU HB3 . . 5.030 4.491 3.803 5.162 0.132 1 0 "[ . 1 . 2]" 1
288 1 29 GLU H 1 94 GLN QB . . 4.760 2.223 1.784 4.233 . 0 0 "[ . 1 . 2]" 1
289 1 35 GLN H 1 87 GLU QB . . 6.230 3.472 1.873 5.484 . 0 0 "[ . 1 . 2]" 1
290 1 34 VAL HB 1 87 GLU H . . 4.600 4.097 3.518 4.833 0.233 3 0 "[ . 1 . 2]" 1
291 1 31 THR HB 1 92 ARG H . . 5.890 4.472 3.304 5.905 0.015 4 0 "[ . 1 . 2]" 1
292 1 25 TYR QD 1 98 ARG H . . 7.440 4.518 3.415 5.686 . 0 0 "[ . 1 . 2]" 1
293 1 98 ARG HG2 1 100 THR H . . 7.620 4.904 2.374 7.153 . 0 0 "[ . 1 . 2]" 1
294 1 98 ARG HG3 1 100 THR H . . 7.620 5.115 2.945 6.692 . 0 0 "[ . 1 . 2]" 1
295 1 52 ARG H 1 53 PRO HD3 . . 5.640 4.986 4.642 5.323 . 0 0 "[ . 1 . 2]" 1
296 1 52 ARG H 1 53 PRO HD2 . . 5.640 4.967 4.624 5.305 . 0 0 "[ . 1 . 2]" 1
297 1 54 SER H 1 55 TYR QD . . 6.330 2.679 1.779 3.390 . 0 0 "[ . 1 . 2]" 1
298 1 24 ARG HE 1 24 ARG HG3 . . 4.130 2.953 2.165 4.019 . 0 0 "[ . 1 . 2]" 1
299 1 24 ARG HE 1 24 ARG HG2 . . 4.130 2.952 2.262 3.757 . 0 0 "[ . 1 . 2]" 1
300 1 98 ARG HB2 1 98 ARG HE . . 4.060 2.960 1.771 4.148 0.088 1 0 "[ . 1 . 2]" 1
301 1 98 ARG HB3 1 98 ARG HE . . 4.060 2.982 1.855 3.854 . 0 0 "[ . 1 . 2]" 1
302 1 24 ARG HE 1 25 TYR QE . . 7.950 5.984 3.871 7.992 0.042 19 0 "[ . 1 . 2]" 1
303 1 3 THR MG 1 4 PHE H . . 5.000 3.360 1.771 4.271 . 0 0 "[ . 1 . 2]" 1
304 1 9 LEU MD2 1 10 SER H . . 4.820 3.891 2.267 4.656 . 0 0 "[ . 1 . 2]" 1
305 1 9 LEU MD1 1 10 SER H . . 3.890 2.434 2.041 2.624 . 0 0 "[ . 1 . 2]" 1
306 1 16 LEU MD1 1 17 THR H . . 4.360 3.086 2.360 4.403 0.043 13 0 "[ . 1 . 2]" 1
307 1 19 LEU MD2 1 20 TYR H . . 3.920 3.464 2.373 3.759 . 0 0 "[ . 1 . 2]" 1
308 1 27 ILE MG 1 28 VAL H . . 3.890 2.983 2.769 3.168 . 0 0 "[ . 1 . 2]" 1
309 1 28 VAL MG1 1 29 GLU H . . 4.540 3.403 3.200 3.739 . 0 0 "[ . 1 . 2]" 1
310 1 28 VAL MG2 1 29 GLU H . . 4.530 3.722 3.453 3.839 . 0 0 "[ . 1 . 2]" 1
311 1 33 THR MG 1 34 VAL H . . 4.430 3.547 3.358 3.680 . 0 0 "[ . 1 . 2]" 1
312 1 36 VAL MG1 1 37 ASP H . . 4.790 3.108 2.488 4.161 . 0 0 "[ . 1 . 2]" 1
313 1 38 LEU MD2 1 39 GLU H . . 4.930 3.730 3.429 4.895 . 0 0 "[ . 1 . 2]" 1
314 1 45 LEU MD2 1 46 THR H . . 6.950 4.654 4.565 4.731 . 0 0 "[ . 1 . 2]" 1
315 1 46 THR MG 1 47 VAL H . . 4.610 3.571 3.469 3.751 . 0 0 "[ . 1 . 2]" 1
316 1 47 VAL MG2 1 48 PHE H . . 5.110 3.799 3.721 3.883 . 0 0 "[ . 1 . 2]" 1
317 1 51 ALA MB 1 52 ARG H . . 3.850 2.787 2.190 3.296 . 0 0 "[ . 1 . 2]" 1
318 1 59 VAL MG1 1 60 ASP H . . 5.510 2.973 2.369 3.875 . 0 0 "[ . 1 . 2]" 1
319 1 60 ASP H 1 71 VAL MG2 . . 5.580 4.540 3.410 5.457 . 0 0 "[ . 1 . 2]" 1
320 1 64 ALA MB 1 65 GLY H . . 3.780 2.724 1.793 3.329 . 0 0 "[ . 1 . 2]" 1
321 1 71 VAL MG1 1 72 ASP H . . 4.900 3.593 3.477 3.709 . 0 0 "[ . 1 . 2]" 1
322 1 82 LEU MD2 1 83 ALA H . . 4.750 3.548 3.337 3.813 . 0 0 "[ . 1 . 2]" 1
323 1 82 LEU MD1 1 83 ALA H . . 7.020 4.301 2.793 4.578 . 0 0 "[ . 1 . 2]" 1
324 1 84 VAL MG1 1 85 THR H . . 4.180 2.885 2.642 3.096 . 0 0 "[ . 1 . 2]" 1
325 1 91 ALA MB 1 92 ARG H . . 3.810 2.740 2.429 3.014 . 0 0 "[ . 1 . 2]" 1
326 1 93 VAL MG2 1 94 GLN H . . 5.580 3.420 2.355 4.142 . 0 0 "[ . 1 . 2]" 1
327 1 93 VAL MG1 1 94 GLN H . . 4.750 3.144 2.416 3.996 . 0 0 "[ . 1 . 2]" 1
328 1 101 VAL MG1 1 102 SER H . . 6.030 3.544 2.577 4.304 . 0 0 "[ . 1 . 2]" 1
329 1 101 VAL MG2 1 102 SER H . . 6.030 3.661 2.265 4.335 . 0 0 "[ . 1 . 2]" 1
330 1 105 VAL MG1 1 106 THR H . . 7.670 3.697 2.179 4.207 . 0 0 "[ . 1 . 2]" 1
331 1 106 THR MG 1 107 VAL H . . 6.700 3.456 2.528 4.206 . 0 0 "[ . 1 . 2]" 1
332 1 107 VAL MG1 1 108 GLU H . . 6.730 3.468 2.322 4.231 . 0 0 "[ . 1 . 2]" 1
333 1 107 VAL MG2 1 108 GLU H . . 6.730 3.657 2.431 4.283 . 0 0 "[ . 1 . 2]" 1
334 1 9 LEU H 1 9 LEU MD2 . . 5.720 4.542 4.204 4.741 . 0 0 "[ . 1 . 2]" 1
335 1 16 LEU H 1 16 LEU MD1 . . 5.400 4.235 4.042 4.347 . 0 0 "[ . 1 . 2]" 1
336 1 18 VAL H 1 18 VAL MG2 . . 4.250 2.538 2.433 2.757 . 0 0 "[ . 1 . 2]" 1
337 1 18 VAL H 1 18 VAL MG1 . . 4.570 3.834 3.807 3.855 . 0 0 "[ . 1 . 2]" 1
338 1 19 LEU H 1 19 LEU MD2 . . 5.180 3.634 3.420 4.291 . 0 0 "[ . 1 . 2]" 1
339 1 27 ILE H 1 27 ILE MG . . 4.530 3.795 3.764 3.815 . 0 0 "[ . 1 . 2]" 1
340 1 27 ILE H 1 27 ILE MD . . 4.860 3.685 3.452 3.784 . 0 0 "[ . 1 . 2]" 1
341 1 28 VAL H 1 28 VAL MG2 . . 4.100 2.311 1.967 2.585 . 0 0 "[ . 1 . 2]" 1
342 1 33 THR H 1 33 THR MG . . 4.570 3.207 3.058 3.395 . 0 0 "[ . 1 . 2]" 1
343 1 36 VAL H 1 36 VAL MG2 . . 4.460 2.985 2.437 3.878 . 0 0 "[ . 1 . 2]" 1
344 1 44 VAL H 1 44 VAL MG2 . . 3.780 2.050 1.953 2.148 . 0 0 "[ . 1 . 2]" 1
345 1 44 VAL H 1 44 VAL MG1 . . 4.680 3.777 3.766 3.787 . 0 0 "[ . 1 . 2]" 1
346 1 45 LEU H 1 45 LEU MD2 . . 4.750 3.247 2.986 3.619 . 0 0 "[ . 1 . 2]" 1
347 1 45 LEU H 1 45 LEU MD1 . . 5.290 3.585 3.490 3.658 . 0 0 "[ . 1 . 2]" 1
348 1 47 VAL H 1 47 VAL MG2 . . 3.530 2.071 1.970 2.213 . 0 0 "[ . 1 . 2]" 1
349 1 47 VAL H 1 47 VAL MG1 . . 4.460 3.774 3.766 3.782 . 0 0 "[ . 1 . 2]" 1
350 1 59 VAL H 1 59 VAL MG2 . . 4.280 2.511 2.112 2.957 . 0 0 "[ . 1 . 2]" 1
351 1 64 ALA H 1 64 ALA MB . . 3.420 2.381 2.210 2.884 . 0 0 "[ . 1 . 2]" 1
352 1 73 VAL H 1 73 VAL MG2 . . 3.710 2.331 2.122 2.518 . 0 0 "[ . 1 . 2]" 1
353 1 73 VAL H 1 73 VAL MG1 . . 4.500 3.801 3.753 3.846 . 0 0 "[ . 1 . 2]" 1
354 1 82 LEU H 1 82 LEU MD2 . . 4.750 3.475 3.152 4.028 . 0 0 "[ . 1 . 2]" 1
355 1 82 LEU H 1 82 LEU MD1 . . 4.750 3.490 1.763 3.800 . 0 0 "[ . 1 . 2]" 1
356 1 7 GLY H 1 45 LEU MD1 . . 4.430 3.226 2.821 3.803 . 0 0 "[ . 1 . 2]" 1
357 1 8 ASN H 1 45 LEU MD1 . . 4.790 3.431 2.847 4.086 . 0 0 "[ . 1 . 2]" 1
358 1 27 ILE MG 1 29 GLU H . . 3.920 3.004 2.763 3.305 . 0 0 "[ . 1 . 2]" 1
359 1 27 ILE MG 1 30 GLN H . . 5.470 4.115 3.821 4.325 . 0 0 "[ . 1 . 2]" 1
360 1 31 THR H 1 91 ALA MB . . 5.720 3.854 3.272 4.934 . 0 0 "[ . 1 . 2]" 1
361 1 31 THR MG 1 33 THR H . . 4.570 3.341 2.828 4.623 0.053 1 0 "[ . 1 . 2]" 1
362 1 44 VAL H 1 82 LEU MD2 . . 6.550 4.497 4.147 5.007 . 0 0 "[ . 1 . 2]" 1
363 1 58 PHE H 1 59 VAL MG2 . . 5.430 4.582 3.820 5.446 0.016 15 0 "[ . 1 . 2]" 1
364 1 16 LEU MD1 1 59 VAL H . . 4.970 3.751 3.032 4.755 . 0 0 "[ . 1 . 2]" 1
365 1 18 VAL MG1 1 59 VAL H . . 6.050 4.254 4.036 4.564 . 0 0 "[ . 1 . 2]" 1
366 1 70 THR H 1 71 VAL MG1 . . 5.180 3.885 3.517 4.269 . 0 0 "[ . 1 . 2]" 1
367 1 59 VAL MG1 1 74 GLU H . . 4.720 3.621 2.482 4.403 . 0 0 "[ . 1 . 2]" 1
368 1 11 LEU MD2 1 78 PHE H . . 6.050 6.110 6.060 6.167 0.117 20 0 "[ . 1 . 2]" 1
369 1 36 VAL MG1 1 85 THR H . . 6.700 4.264 3.296 6.165 . 0 0 "[ . 1 . 2]" 1
370 1 85 THR H 1 86 VAL MG2 . . 6.230 4.025 3.724 4.460 . 0 0 "[ . 1 . 2]" 1
371 1 34 VAL MG1 1 87 GLU H . . 4.720 4.061 2.130 4.826 0.106 7 0 "[ . 1 . 2]" 1
372 1 59 VAL MG2 1 91 ALA H . . 7.020 5.255 4.245 6.625 . 0 0 "[ . 1 . 2]" 1
373 1 73 VAL MG2 1 91 ALA H . . 4.320 2.976 2.557 3.407 . 0 0 "[ . 1 . 2]" 1
374 1 28 VAL MG1 1 94 GLN HE21 . . 5.360 3.609 2.814 4.259 . 0 0 "[ . 1 . 2]" 1
375 1 28 VAL MG2 1 94 GLN HE22 . . 5.540 4.311 3.329 5.552 0.012 11 0 "[ . 1 . 2]" 1
376 1 40 GLY H 1 45 LEU MD1 . . 4.930 3.066 2.432 3.681 . 0 0 "[ . 1 . 2]" 1
377 1 31 THR MG 1 92 ARG H . . 5.610 4.147 2.316 5.313 . 0 0 "[ . 1 . 2]" 1
378 1 28 VAL MG2 1 94 GLN HE21 . . 5.540 3.585 2.260 5.054 . 0 0 "[ . 1 . 2]" 1
379 1 58 PHE H 1 73 VAL MG2 . . 6.410 5.616 5.109 6.136 . 0 0 "[ . 1 . 2]" 1
380 1 40 GLY H 1 45 LEU MD2 . . 5.470 4.183 3.469 5.348 . 0 0 "[ . 1 . 2]" 1
381 1 16 LEU MD1 1 31 THR H . . 5.220 4.606 3.537 5.380 0.160 5 0 "[ . 1 . 2]" 1
382 1 16 LEU MD2 1 31 THR H . . 6.010 3.879 2.564 5.768 . 0 0 "[ . 1 . 2]" 1
383 1 28 VAL MG1 1 94 GLN HE22 . . 5.360 3.715 2.654 5.389 0.029 19 0 "[ . 1 . 2]" 1
384 1 83 ALA H 1 84 VAL MG2 . . 6.300 4.483 4.202 4.645 . 0 0 "[ . 1 . 2]" 1
385 1 14 LEU H 1 34 VAL MG2 . . 6.300 3.584 2.702 4.695 . 0 0 "[ . 1 . 2]" 1
386 1 7 GLY H 1 45 LEU MD2 . . 6.590 5.335 4.821 6.454 . 0 0 "[ . 1 . 2]" 1
387 1 28 VAL MG1 1 96 GLU H . . 6.260 5.446 5.031 5.957 . 0 0 "[ . 1 . 2]" 1
388 1 71 VAL H 1 91 ALA MB . . 5.040 3.843 3.537 4.039 . 0 0 "[ . 1 . 2]" 1
389 1 59 VAL MG2 1 60 ASP H . . 5.610 4.024 3.815 4.200 . 0 0 "[ . 1 . 2]" 1
390 1 59 VAL MG1 1 71 VAL H . . 5.180 4.665 3.874 5.192 0.012 11 0 "[ . 1 . 2]" 1
391 1 59 VAL MG1 1 91 ALA H . . 7.020 4.947 3.888 5.987 . 0 0 "[ . 1 . 2]" 1
392 1 58 PHE H 1 73 VAL MG1 . . 6.440 3.351 2.631 3.991 . 0 0 "[ . 1 . 2]" 1
393 1 3 THR HA 1 3 THR HB . . 2.830 2.711 2.458 3.012 0.182 5 0 "[ . 1 . 2]" 1
394 1 4 PHE HA 1 4 PHE HB2 . . 2.800 2.755 2.464 3.001 0.201 2 0 "[ . 1 . 2]" 1
395 1 4 PHE HA 1 4 PHE HB3 . . 2.800 2.565 2.314 3.004 0.204 6 0 "[ . 1 . 2]" 1
396 1 5 ASP HA 1 5 ASP HB2 . . 2.940 2.504 2.373 3.015 0.075 8 0 "[ . 1 . 2]" 1
397 1 5 ASP H 1 5 ASP HB2 . . 3.370 3.105 2.397 3.582 0.212 5 0 "[ . 1 . 2]" 1
398 1 17 THR H 1 17 THR HB . . 3.550 2.598 2.553 2.676 . 0 0 "[ . 1 . 2]" 1
399 1 22 GLU H 1 22 GLU HB3 . . 3.700 3.106 2.567 3.762 0.062 19 0 "[ . 1 . 2]" 1
400 1 26 ASP H 1 26 ASP HB2 . . 3.840 2.992 2.421 3.808 . 0 0 "[ . 1 . 2]" 1
401 1 26 ASP H 1 26 ASP HB3 . . 3.840 3.043 2.605 3.760 . 0 0 "[ . 1 . 2]" 1
402 1 28 VAL H 1 28 VAL HB . . 4.060 2.544 2.439 2.696 . 0 0 "[ . 1 . 2]" 1
403 1 32 GLU H 1 32 GLU HB2 . . 3.840 2.543 2.078 3.567 . 0 0 "[ . 1 . 2]" 1
404 1 37 ASP H 1 37 ASP HB2 . . 4.130 2.949 2.521 3.343 . 0 0 "[ . 1 . 2]" 1
405 1 46 THR H 1 46 THR HB . . 3.080 2.605 2.569 2.689 . 0 0 "[ . 1 . 2]" 1
406 1 47 VAL H 1 47 VAL HB . . 2.900 2.550 2.493 2.609 . 0 0 "[ . 1 . 2]" 1
407 1 49 ARG H 1 49 ARG HB3 . . 3.230 3.182 2.286 3.498 0.268 20 0 "[ . 1 . 2]" 1
408 1 49 ARG H 1 49 ARG HB2 . . 3.050 2.130 2.038 2.530 . 0 0 "[ . 1 . 2]" 1
409 1 50 PHE HA 1 50 PHE HB3 . . 2.900 2.573 2.487 2.714 . 0 0 "[ . 1 . 2]" 1
410 1 50 PHE H 1 50 PHE HB2 . . 3.080 2.289 2.155 2.411 . 0 0 "[ . 1 . 2]" 1
411 1 50 PHE H 1 50 PHE HB3 . . 3.410 3.532 3.433 3.567 0.157 2 0 "[ . 1 . 2]" 1
412 1 52 ARG HA 1 52 ARG HB2 . . 2.940 2.977 2.558 3.018 0.078 3 0 "[ . 1 . 2]" 1
413 1 54 SER H 1 54 SER HB2 . . 3.260 2.707 2.395 3.601 0.341 15 0 "[ . 1 . 2]" 1
414 1 54 SER HA 1 54 SER HB2 . . 2.900 2.886 2.475 3.013 0.113 17 0 "[ . 1 . 2]" 1
415 1 54 SER H 1 54 SER HB3 . . 3.260 3.480 2.678 3.706 0.446 18 0 "[ . 1 . 2]" 1
416 1 54 SER HA 1 54 SER HB3 . . 2.900 2.587 2.303 3.020 0.120 9 0 "[ . 1 . 2]" 1
417 1 56 GLU H 1 56 GLU HB3 . . 3.980 3.409 2.662 3.855 . 0 0 "[ . 1 . 2]" 1
418 1 68 SER H 1 68 SER HB2 . . 3.010 2.691 2.427 3.156 0.146 13 0 "[ . 1 . 2]" 1
419 1 68 SER H 1 68 SER HB3 . . 3.010 2.586 2.483 2.910 . 0 0 "[ . 1 . 2]" 1
420 1 70 THR H 1 70 THR HB . . 2.870 2.721 2.578 2.915 0.045 2 0 "[ . 1 . 2]" 1
421 1 71 VAL HA 1 71 VAL HB . . 2.800 2.490 2.464 2.528 . 0 0 "[ . 1 . 2]" 1
422 1 81 ASP H 1 81 ASP HA . . 2.940 2.875 2.793 2.948 0.008 11 0 "[ . 1 . 2]" 1
423 1 81 ASP HA 1 81 ASP HB2 . . 2.940 2.538 2.417 2.991 0.051 18 0 "[ . 1 . 2]" 1
424 1 81 ASP H 1 81 ASP HB3 . . 3.340 2.641 2.376 3.499 0.159 9 0 "[ . 1 . 2]" 1
425 1 81 ASP HA 1 81 ASP HB3 . . 2.940 2.975 2.605 3.022 0.082 3 0 "[ . 1 . 2]" 1
426 1 85 THR H 1 85 THR HB . . 3.370 2.758 2.649 2.880 . 0 0 "[ . 1 . 2]" 1
427 1 86 VAL H 1 86 VAL HB . . 3.190 3.083 2.805 3.370 0.180 2 0 "[ . 1 . 2]" 1
428 1 86 VAL HA 1 86 VAL HB . . 2.940 2.934 2.817 3.017 0.077 1 0 "[ . 1 . 2]" 1
429 1 92 ARG H 1 92 ARG HB2 . . 3.700 3.599 2.762 3.750 0.050 3 0 "[ . 1 . 2]" 1
430 1 92 ARG H 1 92 ARG HB3 . . 3.370 2.845 2.428 3.317 . 0 0 "[ . 1 . 2]" 1
431 1 97 GLU H 1 97 GLU HB2 . . 3.440 2.631 2.066 3.557 0.117 14 0 "[ . 1 . 2]" 1
432 1 97 GLU H 1 97 GLU HB3 . . 3.440 2.797 2.415 3.557 0.117 18 0 "[ . 1 . 2]" 1
433 1 98 ARG H 1 98 ARG HB2 . . 3.300 3.133 2.491 3.568 0.268 11 0 "[ . 1 . 2]" 1
434 1 98 ARG H 1 98 ARG HB3 . . 3.340 3.014 2.194 3.571 0.231 3 0 "[ . 1 . 2]" 1
435 1 99 GLN H 1 99 GLN HB2 . . 3.160 2.762 2.174 3.568 0.408 4 0 "[ . 1 . 2]" 1
436 1 99 GLN HA 1 99 GLN HB2 . . 3.010 2.598 2.373 3.013 0.003 17 0 "[ . 1 . 2]" 1
437 1 99 GLN H 1 99 GLN HB3 . . 3.160 2.882 2.372 3.515 0.355 17 0 "[ . 1 . 2]" 1
438 1 99 GLN HA 1 99 GLN HB3 . . 3.010 2.808 2.280 3.026 0.016 5 0 "[ . 1 . 2]" 1
439 1 107 VAL H 1 107 VAL HB . . 4.340 3.028 2.538 3.878 . 0 0 "[ . 1 . 2]" 1
440 1 4 PHE HA 1 5 ASP H . . 2.900 2.338 2.104 2.783 . 0 0 "[ . 1 . 2]" 1
441 1 5 ASP HA 1 6 HIS H . . 2.690 2.345 2.071 2.838 0.148 8 0 "[ . 1 . 2]" 1
442 1 8 ASN HA 1 9 LEU H . . 2.870 2.245 2.167 2.371 . 0 0 "[ . 1 . 2]" 1
443 1 8 ASN HB2 1 9 LEU H . . 3.620 3.574 2.665 3.818 0.198 7 0 "[ . 1 . 2]" 1
444 1 8 ASN HB3 1 9 LEU H . . 3.620 2.859 2.361 3.668 0.048 1 0 "[ . 1 . 2]" 1
445 1 10 SER HA 1 11 LEU H . . 3.120 2.155 2.124 2.195 . 0 0 "[ . 1 . 2]" 1
446 1 10 SER HB2 1 11 LEU H . . 4.560 3.983 3.095 4.453 . 0 0 "[ . 1 . 2]" 1
447 1 10 SER HB3 1 11 LEU H . . 4.560 3.715 3.248 4.296 . 0 0 "[ . 1 . 2]" 1
448 1 24 ARG HB2 1 25 TYR H . . 4.160 3.091 2.018 4.288 0.128 9 0 "[ . 1 . 2]" 1
449 1 24 ARG HB3 1 25 TYR H . . 4.160 3.137 1.842 4.228 0.068 8 0 "[ . 1 . 2]" 1
450 1 26 ASP HA 1 27 ILE H . . 3.010 2.395 2.288 2.449 . 0 0 "[ . 1 . 2]" 1
451 1 26 ASP HB3 1 27 ILE H . . 3.800 3.263 2.445 3.874 0.074 14 0 "[ . 1 . 2]" 1
452 1 27 ILE HA 1 28 VAL H . . 3.480 2.141 2.118 2.164 . 0 0 "[ . 1 . 2]" 1
453 1 31 THR HA 1 32 GLU H . . 3.080 2.179 2.130 2.246 . 0 0 "[ . 1 . 2]" 1
454 1 38 LEU HB3 1 39 GLU H . . 5.060 3.164 2.695 3.639 . 0 0 "[ . 1 . 2]" 1
455 1 39 GLU HB3 1 40 GLY H . . 4.200 3.006 2.155 4.170 . 0 0 "[ . 1 . 2]" 1
456 1 39 GLU HB2 1 40 GLY H . . 4.630 3.886 3.315 4.282 . 0 0 "[ . 1 . 2]" 1
457 1 44 VAL HB 1 45 LEU H . . 3.340 2.580 2.437 2.687 . 0 0 "[ . 1 . 2]" 1
458 1 45 LEU HB2 1 46 THR H . . 4.060 2.667 2.426 2.843 . 0 0 "[ . 1 . 2]" 1
459 1 46 THR HB 1 47 VAL H . . 3.230 2.578 2.469 2.744 . 0 0 "[ . 1 . 2]" 1
460 1 47 VAL HB 1 48 PHE H . . 3.370 2.599 2.475 2.695 . 0 0 "[ . 1 . 2]" 1
461 1 49 ARG HB3 1 50 PHE H . . 4.020 3.431 2.823 3.764 . 0 0 "[ . 1 . 2]" 1
462 1 49 ARG HB2 1 50 PHE H . . 4.700 3.458 2.640 4.158 . 0 0 "[ . 1 . 2]" 1
463 1 50 PHE HB2 1 51 ALA H . . 3.410 3.041 2.772 3.422 0.012 3 0 "[ . 1 . 2]" 1
464 1 50 PHE HB3 1 51 ALA H . . 3.700 3.761 3.654 3.858 0.158 10 0 "[ . 1 . 2]" 1
465 1 54 SER HB3 1 55 TYR H . . 4.240 4.214 3.683 4.402 0.162 11 0 "[ . 1 . 2]" 1
466 1 56 GLU HB3 1 57 VAL H . . 4.130 3.184 2.505 3.978 . 0 0 "[ . 1 . 2]" 1
467 1 62 THR HB 1 63 GLU H . . 4.240 3.695 2.857 4.251 0.011 7 0 "[ . 1 . 2]" 1
468 1 66 GLU HB2 1 67 GLY H . . 3.770 3.306 2.231 3.883 0.113 11 0 "[ . 1 . 2]" 1
469 1 66 GLU HB3 1 67 GLY H . . 3.770 3.146 2.315 3.940 0.170 18 0 "[ . 1 . 2]" 1
470 1 67 GLY HA2 1 68 SER H . . 3.010 2.599 2.174 3.110 0.100 2 0 "[ . 1 . 2]" 1
471 1 68 SER HB2 1 69 HIS H . . 3.910 4.065 4.009 4.148 0.238 15 0 "[ . 1 . 2]" 1
472 1 68 SER HB3 1 69 HIS H . . 3.910 3.944 3.740 4.027 0.117 3 0 "[ . 1 . 2]" 1
473 1 71 VAL HB 1 72 ASP H . . 3.260 2.354 2.236 2.628 . 0 0 "[ . 1 . 2]" 1
474 1 79 PRO HA 1 80 GLY H . . 2.900 2.257 2.123 2.540 . 0 0 "[ . 1 . 2]" 1
475 1 81 ASP HB2 1 82 LEU H . . 3.980 3.805 2.902 4.023 0.043 6 0 "[ . 1 . 2]" 1
476 1 85 THR HA 1 86 VAL H . . 2.690 2.125 2.027 2.237 . 0 0 "[ . 1 . 2]" 1
477 1 85 THR HB 1 86 VAL H . . 3.770 3.933 3.848 4.041 0.271 15 0 "[ . 1 . 2]" 1
478 1 86 VAL HB 1 87 GLU H . . 4.670 3.623 3.149 4.039 . 0 0 "[ . 1 . 2]" 1
479 1 89 ARG QB 1 90 MET H . . 4.180 2.924 2.356 3.877 . 0 0 "[ . 1 . 2]" 1
480 1 92 ARG HA 1 93 VAL H . . 2.800 2.140 2.080 2.219 . 0 0 "[ . 1 . 2]" 1
481 1 92 ARG HB2 1 93 VAL H . . 4.200 3.356 2.938 4.283 0.083 13 0 "[ . 1 . 2]" 1
482 1 96 GLU HB2 1 97 GLU H . . 4.200 4.030 2.761 4.255 0.055 8 0 "[ . 1 . 2]" 1
483 1 97 GLU HB2 1 98 ARG H . . 4.670 4.336 3.027 4.623 . 0 0 "[ . 1 . 2]" 1
484 1 98 ARG HA 1 99 GLN H . . 2.650 2.272 1.972 2.602 . 0 0 "[ . 1 . 2]" 1
485 1 99 GLN HB3 1 100 THR H . . 4.810 3.583 1.791 4.513 . 0 0 "[ . 1 . 2]" 1
486 1 100 THR HA 1 101 VAL H . . 3.210 2.605 2.102 3.482 0.272 20 0 "[ . 1 . 2]" 1
487 1 100 THR HB 1 101 VAL H . . 4.580 3.705 1.773 4.630 0.050 16 0 "[ . 1 . 2]" 1
488 1 101 VAL HA 1 102 SER H . . 3.260 2.433 2.102 3.481 0.221 7 0 "[ . 1 . 2]" 1
489 1 102 SER HA 1 103 VAL H . . 3.120 2.527 2.132 3.148 0.028 5 0 "[ . 1 . 2]" 1
490 1 104 PRO HA 1 105 VAL H . . 3.120 2.384 2.160 3.160 0.040 7 0 "[ . 1 . 2]" 1
491 1 104 PRO HB2 1 105 VAL H . . 4.520 3.633 1.901 4.331 . 0 0 "[ . 1 . 2]" 1
492 1 104 PRO HB3 1 105 VAL H . . 4.520 4.010 3.195 4.628 0.108 5 0 "[ . 1 . 2]" 1
493 1 105 VAL HA 1 106 THR H . . 3.500 2.370 2.110 3.503 0.003 12 0 "[ . 1 . 2]" 1
494 1 106 THR HA 1 107 VAL H . . 3.260 2.356 2.089 3.501 0.241 17 0 "[ . 1 . 2]" 1
495 1 106 THR HB 1 107 VAL H . . 4.240 3.958 2.202 4.380 0.140 13 0 "[ . 1 . 2]" 1
496 1 107 VAL HA 1 108 GLU H . . 3.730 2.488 2.066 3.559 . 0 0 "[ . 1 . 2]" 1
497 1 108 GLU HA 1 109 MET H . . 3.910 2.419 2.086 3.562 . 0 0 "[ . 1 . 2]" 1
498 1 42 ARG HA 1 45 LEU HB2 . . 4.490 2.559 2.111 3.183 . 0 0 "[ . 1 . 2]" 1
499 1 44 VAL HA 1 47 VAL H . . 4.380 3.521 3.183 4.053 . 0 0 "[ . 1 . 2]" 1
500 1 44 VAL HA 1 47 VAL HB . . 3.550 3.012 2.633 3.402 . 0 0 "[ . 1 . 2]" 1
501 1 45 LEU HA 1 48 PHE QB . . 5.480 2.751 2.197 4.849 . 0 0 "[ . 1 . 2]" 1
502 1 46 THR HA 1 49 ARG HB3 . . 3.660 3.518 2.626 3.783 0.123 20 0 "[ . 1 . 2]" 1
503 1 46 THR HA 1 49 ARG HB2 . . 3.620 2.494 2.191 3.634 0.014 16 0 "[ . 1 . 2]" 1
504 1 22 GLU HA 1 25 TYR H . . 4.450 4.032 3.201 4.521 0.071 14 0 "[ . 1 . 2]" 1
505 1 10 SER HA 1 37 ASP HA . . 3.590 2.335 1.776 3.061 . 0 0 "[ . 1 . 2]" 1
506 1 8 ASN HA 1 39 GLU HA . . 3.800 2.382 2.030 2.746 . 0 0 "[ . 1 . 2]" 1
507 1 46 THR HA 1 49 ARG H . . 3.800 3.359 3.092 3.572 . 0 0 "[ . 1 . 2]" 1
508 1 49 ARG HA 1 51 ALA H . . 4.340 3.931 3.613 4.383 0.043 20 0 "[ . 1 . 2]" 1
509 1 57 VAL HA 1 75 HIS HA . . 4.020 2.779 2.220 3.573 . 0 0 "[ . 1 . 2]" 1
510 1 20 TYR HA 1 62 THR HA . . 3.550 2.752 1.995 3.654 0.104 17 0 "[ . 1 . 2]" 1
511 1 70 THR HA 1 92 ARG HA . . 3.410 2.155 1.889 2.522 . 0 0 "[ . 1 . 2]" 1
512 1 74 GLU HA 1 75 HIS H . . 3.520 2.331 2.266 2.379 . 0 0 "[ . 1 . 2]" 1
513 1 83 ALA HA 1 84 VAL HB . . 5.240 4.662 4.558 4.715 . 0 0 "[ . 1 . 2]" 1
514 1 38 LEU HA 1 84 VAL HA . . 4.960 2.834 2.366 3.112 . 0 0 "[ . 1 . 2]" 1
515 1 23 GLU H 1 23 GLU HB3 . . 3.520 3.489 2.619 3.641 0.121 1 0 "[ . 1 . 2]" 1
516 1 43 GLY QA 1 47 VAL H . . 5.480 4.146 3.763 4.452 . 0 0 "[ . 1 . 2]" 1
517 1 87 GLU HA 1 88 PRO HA . . 3.410 3.572 3.323 3.763 0.353 6 0 "[ . 1 . 2]" 1
518 1 13 GLU HA 1 36 VAL H . . 4.310 3.862 3.241 4.329 0.019 3 0 "[ . 1 . 2]" 1
519 1 11 LEU H 1 37 ASP HA . . 3.730 2.825 2.296 3.336 . 0 0 "[ . 1 . 2]" 1
520 1 6 HIS HA 1 41 PRO HA . . 3.980 3.247 2.462 3.956 . 0 0 "[ . 1 . 2]" 1
521 1 15 GLU HA 1 33 THR HA . . 4.310 2.787 2.309 3.375 . 0 0 "[ . 1 . 2]" 1
522 1 23 GLU HB3 1 24 ARG H . . 4.740 3.785 2.841 4.373 . 0 0 "[ . 1 . 2]" 1
523 1 30 GLN HA 1 93 VAL HA . . 3.770 2.319 1.810 2.611 . 0 0 "[ . 1 . 2]" 1
524 1 86 VAL HB 1 89 ARG HA . . 4.340 4.260 3.177 4.784 0.444 5 0 "[ . 1 . 2]" 1
525 1 11 LEU H 1 11 LEU HG . . 4.670 2.472 2.255 2.741 . 0 0 "[ . 1 . 2]" 1
526 1 15 GLU H 1 15 GLU HG3 . . 4.130 2.361 2.149 3.568 . 0 0 "[ . 1 . 2]" 1
527 1 22 GLU H 1 22 GLU HG2 . . 3.770 2.699 1.785 4.022 0.252 15 0 "[ . 1 . 2]" 1
528 1 23 GLU H 1 23 GLU HG2 . . 3.550 2.892 1.826 3.692 0.142 10 0 "[ . 1 . 2]" 1
529 1 23 GLU HA 1 23 GLU HG2 . . 3.770 2.860 2.435 3.783 0.013 9 0 "[ . 1 . 2]" 1
530 1 23 GLU HA 1 23 GLU HG3 . . 3.770 3.404 2.554 3.791 0.021 11 0 "[ . 1 . 2]" 1
531 1 32 GLU H 1 32 GLU HG2 . . 3.700 3.277 1.788 3.752 0.052 15 0 "[ . 1 . 2]" 1
532 1 32 GLU HA 1 32 GLU HG2 . . 3.730 2.788 2.286 3.649 . 0 0 "[ . 1 . 2]" 1
533 1 32 GLU HA 1 32 GLU HG3 . . 3.730 3.106 2.474 3.807 0.077 16 0 "[ . 1 . 2]" 1
534 1 35 GLN H 1 35 GLN HG2 . . 5.460 4.210 2.102 4.720 . 0 0 "[ . 1 . 2]" 1
535 1 35 GLN H 1 35 GLN HG3 . . 5.460 4.077 2.621 4.653 . 0 0 "[ . 1 . 2]" 1
536 1 39 GLU HA 1 39 GLU HG2 . . 4.160 2.568 2.259 3.322 . 0 0 "[ . 1 . 2]" 1
537 1 39 GLU HA 1 39 GLU HG3 . . 4.160 3.004 2.537 3.603 . 0 0 "[ . 1 . 2]" 1
538 1 45 LEU HB2 1 45 LEU HG . . 2.830 2.470 2.446 2.510 . 0 0 "[ . 1 . 2]" 1
539 1 49 ARG HA 1 49 ARG HG2 . . 3.880 2.470 2.131 3.758 . 0 0 "[ . 1 . 2]" 1
540 1 49 ARG HA 1 49 ARG HG3 . . 3.880 3.436 2.968 3.628 . 0 0 "[ . 1 . 2]" 1
541 1 52 ARG HA 1 53 PRO HD3 . . 3.880 2.290 1.909 2.670 . 0 0 "[ . 1 . 2]" 1
542 1 52 ARG HA 1 53 PRO HD2 . . 3.880 2.739 2.269 3.224 . 0 0 "[ . 1 . 2]" 1
543 1 52 ARG HA 1 52 ARG HG2 . . 4.090 2.495 2.309 2.923 . 0 0 "[ . 1 . 2]" 1
544 1 52 ARG HA 1 52 ARG HG3 . . 4.090 3.031 2.493 3.665 . 0 0 "[ . 1 . 2]" 1
545 1 63 GLU HA 1 63 GLU HG2 . . 3.410 2.639 2.400 3.086 . 0 0 "[ . 1 . 2]" 1
546 1 63 GLU HB2 1 63 GLU HG2 . . 2.760 2.831 2.448 2.974 0.214 4 0 "[ . 1 . 2]" 1
547 1 63 GLU HA 1 63 GLU HG3 . . 3.660 3.284 2.881 3.769 0.109 17 0 "[ . 1 . 2]" 1
548 1 63 GLU HB2 1 63 GLU HG3 . . 2.400 2.377 2.232 2.493 0.093 10 0 "[ . 1 . 2]" 1
549 1 63 GLU HB3 1 63 GLU HG3 . . 2.830 2.833 2.439 2.982 0.152 20 0 "[ . 1 . 2]" 1
550 1 89 ARG HA 1 89 ARG HG2 . . 3.800 2.855 2.261 4.068 0.268 2 0 "[ . 1 . 2]" 1
551 1 89 ARG HA 1 89 ARG HG3 . . 3.800 3.455 3.146 3.825 0.025 8 0 "[ . 1 . 2]" 1
552 1 89 ARG H 1 89 ARG HG3 . . 3.880 2.881 2.072 3.973 0.093 3 0 "[ . 1 . 2]" 1
553 1 89 ARG H 1 89 ARG HD2 . . 6.000 4.654 4.121 5.247 . 0 0 "[ . 1 . 2]" 1
554 1 89 ARG HA 1 89 ARG HD2 . . 4.420 4.278 2.960 4.728 0.308 18 0 "[ . 1 . 2]" 1
555 1 89 ARG H 1 89 ARG HD3 . . 6.000 4.672 3.705 5.257 . 0 0 "[ . 1 . 2]" 1
556 1 89 ARG HA 1 89 ARG HD3 . . 4.420 3.988 2.003 4.745 0.325 19 0 "[ . 1 . 2]" 1
557 1 94 GLN HA 1 94 GLN HG2 . . 4.020 3.389 3.044 3.877 . 0 0 "[ . 1 . 2]" 1
558 1 94 GLN HA 1 94 GLN HG3 . . 4.020 2.796 2.501 3.770 . 0 0 "[ . 1 . 2]" 1
559 1 98 ARG HA 1 98 ARG HG2 . . 4.160 3.454 3.034 3.817 . 0 0 "[ . 1 . 2]" 1
560 1 98 ARG HA 1 98 ARG HG3 . . 4.160 2.896 2.401 4.182 0.022 1 0 "[ . 1 . 2]" 1
561 1 98 ARG H 1 98 ARG QD . . 5.980 4.661 2.428 5.566 . 0 0 "[ . 1 . 2]" 1
562 1 29 GLU QG 1 30 GLN H . . 5.480 3.494 2.038 4.505 . 0 0 "[ . 1 . 2]" 1
563 1 32 GLU HG3 1 33 THR H . . 4.880 4.143 1.780 4.755 . 0 0 "[ . 1 . 2]" 1
564 1 35 GLN HG3 1 36 VAL H . . 4.850 3.776 3.015 4.947 0.097 9 0 "[ . 1 . 2]" 1
565 1 39 GLU HG2 1 40 GLY H . . 4.520 3.483 2.373 4.140 . 0 0 "[ . 1 . 2]" 1
566 1 39 GLU HG3 1 40 GLY H . . 4.520 4.383 2.799 4.857 0.337 1 0 "[ . 1 . 2]" 1
567 1 90 MET QG 1 91 ALA H . . 6.880 3.804 2.682 4.745 . 0 0 "[ . 1 . 2]" 1
568 1 97 GLU QG 1 98 ARG H . . 6.050 3.740 2.658 4.782 . 0 0 "[ . 1 . 2]" 1
569 1 98 ARG QD 1 99 GLN H . . 6.880 3.830 1.949 5.238 . 0 0 "[ . 1 . 2]" 1
570 1 17 THR HB 1 58 PHE QB . . 5.840 2.630 1.837 4.447 . 0 0 "[ . 1 . 2]" 1
571 1 20 TYR QE 1 22 GLU HG3 . . 8.130 5.521 3.980 7.801 . 0 0 "[ . 1 . 2]" 1
572 1 21 ASP HA 1 22 GLU HG3 . . 5.960 4.550 3.297 6.057 0.097 14 0 "[ . 1 . 2]" 1
573 1 20 TYR QE 1 22 GLU HG2 . . 8.130 4.988 2.729 7.873 . 0 0 "[ . 1 . 2]" 1
574 1 21 ASP HA 1 22 GLU HG2 . . 5.960 4.389 3.599 5.961 0.001 15 0 "[ . 1 . 2]" 1
575 1 37 ASP HB3 1 85 THR HB . . 4.960 2.691 1.765 4.023 . 0 0 "[ . 1 . 2]" 1
576 1 8 ASN HD22 1 39 GLU HG2 . . 6.000 3.183 1.976 4.328 . 0 0 "[ . 1 . 2]" 1
577 1 48 PHE QD 1 49 ARG HA . . 8.130 3.720 2.976 3.992 . 0 0 "[ . 1 . 2]" 1
578 1 46 THR HA 1 49 ARG HG2 . . 4.990 4.433 3.587 5.109 0.119 10 0 "[ . 1 . 2]" 1
579 1 46 THR HA 1 49 ARG HG3 . . 4.990 3.659 2.134 4.875 . 0 0 "[ . 1 . 2]" 1
580 1 53 PRO HA 1 55 TYR QD . . 7.520 3.186 2.671 3.641 . 0 0 "[ . 1 . 2]" 1
581 1 37 ASP HB2 1 85 THR HB . . 4.340 3.173 1.761 4.361 0.021 10 0 "[ . 1 . 2]" 1
582 1 89 ARG QB 1 90 MET QG . . 7.540 3.788 2.732 5.901 . 0 0 "[ . 1 . 2]" 1
583 1 72 ASP HA 1 90 MET QG . . 4.790 2.898 2.221 4.197 . 0 0 "[ . 1 . 2]" 1
584 1 73 VAL H 1 90 MET QG . . 6.670 4.650 3.808 5.367 . 0 0 "[ . 1 . 2]" 1
585 1 25 TYR QD 1 97 GLU QG . . 9.010 3.974 2.313 5.676 . 0 0 "[ . 1 . 2]" 1
586 1 98 ARG HA 1 99 GLN QG . . 5.980 5.023 3.423 5.807 . 0 0 "[ . 1 . 2]" 1
587 1 98 ARG HB2 1 99 GLN QG . . 6.880 6.421 5.253 7.194 0.314 8 0 "[ . 1 . 2]" 1
588 1 24 ARG H 1 24 ARG QD . . 5.840 4.208 2.818 5.040 . 0 0 "[ . 1 . 2]" 1
589 1 103 VAL HA 1 104 PRO HD3 . . 3.410 2.062 1.823 2.412 . 0 0 "[ . 1 . 2]" 1
590 1 103 VAL HA 1 104 PRO HD2 . . 3.410 2.424 2.033 2.858 . 0 0 "[ . 1 . 2]" 1
591 1 29 GLU QB 1 94 GLN H . . 6.880 3.591 2.604 4.647 . 0 0 "[ . 1 . 2]" 1
592 1 28 VAL HA 1 94 GLN QB . . 6.880 5.009 4.670 6.276 . 0 0 "[ . 1 . 2]" 1
593 1 14 LEU H 1 33 THR HB . . 6.000 3.752 3.266 4.390 . 0 0 "[ . 1 . 2]" 1
594 1 18 VAL HA 1 59 VAL HB . . 5.780 3.867 2.807 5.167 . 0 0 "[ . 1 . 2]" 1
595 1 28 VAL HB 1 94 GLN QB . . 6.880 2.659 2.080 3.583 . 0 0 "[ . 1 . 2]" 1
596 1 9 LEU H 1 9 LEU MD1 . . 5.400 4.327 4.177 4.428 . 0 0 "[ . 1 . 2]" 1
597 1 9 LEU HA 1 9 LEU MD1 . . 3.740 2.335 2.009 3.057 . 0 0 "[ . 1 . 2]" 1
598 1 11 LEU H 1 11 LEU MD2 . . 5.540 3.461 3.301 3.718 . 0 0 "[ . 1 . 2]" 1
599 1 11 LEU HA 1 11 LEU MD2 . . 3.600 2.051 1.960 2.195 . 0 0 "[ . 1 . 2]" 1
600 1 14 LEU H 1 14 LEU MD1 . . 4.860 3.891 3.730 4.102 . 0 0 "[ . 1 . 2]" 1
601 1 14 LEU HB3 1 14 LEU MD1 . . 3.420 2.365 2.303 2.420 . 0 0 "[ . 1 . 2]" 1
602 1 14 LEU HB2 1 14 LEU MD1 . . 3.670 2.339 2.289 2.395 . 0 0 "[ . 1 . 2]" 1
603 1 14 LEU H 1 14 LEU MD2 . . 5.290 3.613 3.497 3.905 . 0 0 "[ . 1 . 2]" 1
604 1 14 LEU HA 1 14 LEU MD2 . . 3.810 1.981 1.869 2.058 . 0 0 "[ . 1 . 2]" 1
605 1 16 LEU HA 1 16 LEU MD1 . . 3.920 2.725 2.096 4.038 0.118 7 0 "[ . 1 . 2]" 1
606 1 19 LEU H 1 19 LEU MD1 . . 4.930 3.914 3.725 4.357 . 0 0 "[ . 1 . 2]" 1
607 1 19 LEU HA 1 19 LEU MD2 . . 3.710 2.123 1.872 2.988 . 0 0 "[ . 1 . 2]" 1
608 1 28 VAL H 1 28 VAL MG1 . . 4.640 3.801 3.763 3.857 . 0 0 "[ . 1 . 2]" 1
609 1 34 VAL H 1 34 VAL MG2 . . 4.210 2.247 2.037 2.662 . 0 0 "[ . 1 . 2]" 1
610 1 38 LEU H 1 38 LEU MD2 . . 5.470 3.782 3.609 4.331 . 0 0 "[ . 1 . 2]" 1
611 1 38 LEU HA 1 38 LEU MD2 . . 3.920 2.305 1.988 3.997 0.077 10 0 "[ . 1 . 2]" 1
612 1 38 LEU H 1 38 LEU MD1 . . 5.150 3.794 2.408 4.168 . 0 0 "[ . 1 . 2]" 1
613 1 45 LEU HA 1 45 LEU MD2 . . 4.250 2.022 1.943 2.092 . 0 0 "[ . 1 . 2]" 1
614 1 45 LEU HB2 1 45 LEU MD1 . . 3.640 2.324 2.279 2.359 . 0 0 "[ . 1 . 2]" 1
615 1 46 THR HA 1 46 THR MG . . 3.420 2.350 2.306 2.383 . 0 0 "[ . 1 . 2]" 1
616 1 47 VAL HA 1 47 VAL MG2 . . 3.530 2.383 2.334 2.430 . 0 0 "[ . 1 . 2]" 1
617 1 51 ALA H 1 51 ALA MB . . 3.420 2.288 2.228 2.359 . 0 0 "[ . 1 . 2]" 1
618 1 61 LEU HA 1 61 LEU MD2 . . 3.780 2.034 1.882 2.212 . 0 0 "[ . 1 . 2]" 1
619 1 62 THR H 1 62 THR MG . . 4.280 2.713 1.953 3.714 . 0 0 "[ . 1 . 2]" 1
620 1 71 VAL H 1 71 VAL MG1 . . 4.070 3.058 2.904 3.244 . 0 0 "[ . 1 . 2]" 1
621 1 71 VAL H 1 71 VAL MG2 . . 4.030 2.208 2.107 2.292 . 0 0 "[ . 1 . 2]" 1
622 1 82 LEU HA 1 82 LEU MD2 . . 4.170 2.265 2.012 4.082 . 0 0 "[ . 1 . 2]" 1
623 1 83 ALA H 1 83 ALA MB . . 3.670 2.281 2.264 2.306 . 0 0 "[ . 1 . 2]" 1
624 1 84 VAL H 1 84 VAL MG2 . . 4.280 2.358 2.268 2.517 . 0 0 "[ . 1 . 2]" 1
625 1 86 VAL H 1 86 VAL MG2 . . 3.850 2.393 2.008 2.793 . 0 0 "[ . 1 . 2]" 1
626 1 90 MET H 1 90 MET ME . . 7.020 5.306 4.764 6.219 . 0 0 "[ . 1 . 2]" 1
627 1 90 MET HA 1 90 MET ME . . 5.510 4.076 2.897 4.570 . 0 0 "[ . 1 . 2]" 1
628 1 95 LEU H 1 95 LEU MD2 . . 4.790 3.712 3.615 3.883 . 0 0 "[ . 1 . 2]" 1
629 1 95 LEU HA 1 95 LEU MD2 . . 3.920 2.019 1.916 2.136 . 0 0 "[ . 1 . 2]" 1
630 1 95 LEU H 1 95 LEU MD1 . . 5.180 3.983 3.849 4.076 . 0 0 "[ . 1 . 2]" 1
631 1 14 LEU MD1 1 15 GLU H . . 5.760 4.646 4.274 4.964 . 0 0 "[ . 1 . 2]" 1
632 1 14 LEU MD2 1 15 GLU H . . 3.420 3.397 3.147 3.450 0.030 7 0 "[ . 1 . 2]" 1
633 1 17 THR MG 1 18 VAL H . . 3.920 2.699 2.447 3.026 . 0 0 "[ . 1 . 2]" 1
634 1 18 VAL MG2 1 19 LEU H . . 5.650 4.080 3.912 4.167 . 0 0 "[ . 1 . 2]" 1
635 1 18 VAL MG1 1 19 LEU H . . 4.540 2.777 2.592 2.990 . 0 0 "[ . 1 . 2]" 1
636 1 31 THR MG 1 32 GLU H . . 4.750 3.011 2.433 4.252 . 0 0 "[ . 1 . 2]" 1
637 1 34 VAL MG1 1 35 GLN H . . 4.640 3.181 2.107 3.858 . 0 0 "[ . 1 . 2]" 1
638 1 34 VAL MG2 1 35 GLN H . . 5.580 3.849 3.446 4.199 . 0 0 "[ . 1 . 2]" 1
639 1 36 VAL MG2 1 37 ASP H . . 5.000 3.667 2.453 4.226 . 0 0 "[ . 1 . 2]" 1
640 1 44 VAL MG2 1 45 LEU H . . 6.010 3.752 3.705 3.822 . 0 0 "[ . 1 . 2]" 1
641 1 44 VAL MG1 1 45 LEU H . . 6.980 3.497 3.353 3.633 . 0 0 "[ . 1 . 2]" 1
642 1 47 VAL MG1 1 48 PHE H . . 5.330 3.448 3.144 3.589 . 0 0 "[ . 1 . 2]" 1
643 1 62 THR MG 1 63 GLU H . . 4.570 4.045 2.660 4.311 . 0 0 "[ . 1 . 2]" 1
644 1 70 THR MG 1 71 VAL H . . 4.320 3.002 2.678 3.901 . 0 0 "[ . 1 . 2]" 1
645 1 71 VAL MG2 1 72 ASP H . . 4.430 3.445 3.336 3.657 . 0 0 "[ . 1 . 2]" 1
646 1 73 VAL MG2 1 74 GLU H . . 4.710 4.044 3.923 4.209 . 0 0 "[ . 1 . 2]" 1
647 1 73 VAL MG1 1 74 GLU H . . 4.030 2.714 2.529 2.992 . 0 0 "[ . 1 . 2]" 1
648 1 83 ALA MB 1 84 VAL H . . 4.070 3.329 3.024 3.441 . 0 0 "[ . 1 . 2]" 1
649 1 84 VAL MG2 1 85 THR H . . 5.360 4.131 4.060 4.204 . 0 0 "[ . 1 . 2]" 1
650 1 85 THR MG 1 86 VAL H . . 4.030 2.603 2.331 2.852 . 0 0 "[ . 1 . 2]" 1
651 1 86 VAL MG1 1 87 GLU H . . 4.280 2.718 2.206 3.530 . 0 0 "[ . 1 . 2]" 1
652 1 86 VAL MG2 1 87 GLU H . . 5.290 4.254 4.012 4.567 . 0 0 "[ . 1 . 2]" 1
653 1 90 MET ME 1 91 ALA H . . 6.800 4.693 3.611 5.791 . 0 0 "[ . 1 . 2]" 1
654 1 95 LEU MD2 1 96 GLU H . . 4.640 3.573 3.402 3.751 . 0 0 "[ . 1 . 2]" 1
655 1 95 LEU MD1 1 96 GLU H . . 6.410 5.027 4.819 5.226 . 0 0 "[ . 1 . 2]" 1
656 1 100 THR MG 1 101 VAL H . . 5.890 3.556 2.362 4.288 . 0 0 "[ . 1 . 2]" 1
657 1 105 VAL MG2 1 106 THR H . . 7.670 3.542 2.443 4.359 . 0 0 "[ . 1 . 2]" 1
658 1 8 ASN HA 1 45 LEU MD1 . . 5.870 2.974 1.857 3.689 . 0 0 "[ . 1 . 2]" 1
659 1 11 LEU MD2 1 55 TYR QE . . 8.790 2.830 2.268 3.141 . 0 0 "[ . 1 . 2]" 1
660 1 11 LEU MD1 1 38 LEU H . . 5.980 4.983 4.315 5.637 . 0 0 "[ . 1 . 2]" 1
661 1 11 LEU MD1 1 36 VAL HB . . 4.680 2.827 1.937 4.122 . 0 0 "[ . 1 . 2]" 1
662 1 11 LEU MD1 1 78 PHE HZ . . 5.580 3.889 3.315 4.287 . 0 0 "[ . 1 . 2]" 1
663 1 11 LEU MD1 1 78 PHE QE . . 7.140 2.949 2.331 3.421 . 0 0 "[ . 1 . 2]" 1
664 1 11 LEU MD1 1 78 PHE QD . . 8.720 2.967 2.514 3.368 . 0 0 "[ . 1 . 2]" 1
665 1 11 LEU MD1 1 48 PHE QE . . 8.250 3.649 2.908 4.135 . 0 0 "[ . 1 . 2]" 1
666 1 14 LEU MD1 1 78 PHE HZ . . 4.820 4.459 3.772 4.871 0.051 1 0 "[ . 1 . 2]" 1
667 1 14 LEU MD1 1 78 PHE QE . . 8.250 3.280 2.583 3.856 . 0 0 "[ . 1 . 2]" 1
668 1 14 LEU MD1 1 78 PHE QD . . 8.720 4.409 3.668 5.253 . 0 0 "[ . 1 . 2]" 1
669 1 14 LEU MD2 1 78 PHE QD . . 9.150 6.021 5.110 7.101 . 0 0 "[ . 1 . 2]" 1
670 1 15 GLU HG3 1 33 THR MG . . 4.790 3.282 2.592 4.473 . 0 0 "[ . 1 . 2]" 1
671 1 16 LEU MD1 1 58 PHE H . . 5.360 4.416 3.327 5.365 0.005 9 0 "[ . 1 . 2]" 1
672 1 16 LEU MD1 1 58 PHE HA . . 4.570 3.391 2.330 4.607 0.037 14 0 "[ . 1 . 2]" 1
673 1 16 LEU MD1 1 57 VAL HB . . 4.640 3.902 2.954 4.694 0.054 7 0 "[ . 1 . 2]" 1
674 1 19 LEU MD1 1 60 ASP HA . . 5.620 3.422 2.775 4.179 . 0 0 "[ . 1 . 2]" 1
675 1 19 LEU MD1 1 61 LEU H . . 6.080 4.859 3.707 5.546 . 0 0 "[ . 1 . 2]" 1
676 1 27 ILE MG 1 30 GLN HB3 . . 4.460 2.455 2.017 3.340 . 0 0 "[ . 1 . 2]" 1
677 1 18 VAL HB 1 27 ILE MD . . 4.000 2.472 1.791 3.418 . 0 0 "[ . 1 . 2]" 1
678 1 27 ILE MG 1 29 GLU HA . . 5.400 3.570 3.190 3.866 . 0 0 "[ . 1 . 2]" 1
679 1 18 VAL HA 1 27 ILE MD . . 6.230 4.955 4.357 5.974 . 0 0 "[ . 1 . 2]" 1
680 1 27 ILE MG 1 30 GLN HA . . 5.540 4.017 3.552 4.520 . 0 0 "[ . 1 . 2]" 1
681 1 26 ASP HA 1 27 ILE MD . . 7.020 4.922 4.731 5.050 . 0 0 "[ . 1 . 2]" 1
682 1 28 VAL MG2 1 96 GLU H . . 5.330 2.761 2.324 3.353 . 0 0 "[ . 1 . 2]" 1
683 1 28 VAL MG1 1 29 GLU QB . . 5.380 3.265 2.762 3.819 . 0 0 "[ . 1 . 2]" 1
684 1 28 VAL MG1 1 29 GLU QG . . 5.270 3.117 1.916 4.858 . 0 0 "[ . 1 . 2]" 1
685 1 16 LEU MD2 1 31 THR HB . . 4.790 2.942 1.684 4.283 . 0 0 "[ . 1 . 2]" 1
686 1 31 THR MG 1 91 ALA HA . . 4.930 3.843 2.513 4.965 0.035 4 0 "[ . 1 . 2]" 1
687 1 15 GLU HG2 1 33 THR MG . . 4.790 2.871 2.155 4.226 . 0 0 "[ . 1 . 2]" 1
688 1 15 GLU HA 1 33 THR MG . . 4.570 2.335 1.878 3.071 . 0 0 "[ . 1 . 2]" 1
689 1 16 LEU H 1 33 THR MG . . 5.070 3.708 3.237 4.176 . 0 0 "[ . 1 . 2]" 1
690 1 34 VAL MG2 1 57 VAL HB . . 5.070 3.741 2.676 4.748 . 0 0 "[ . 1 . 2]" 1
691 1 34 VAL MG1 1 35 GLN QB . . 5.960 4.749 3.519 5.382 . 0 0 "[ . 1 . 2]" 1
692 1 31 THR MG 1 34 VAL MG1 . . 6.450 2.854 2.036 4.360 . 0 0 "[ . 1 . 2]" 1
693 1 31 THR MG 1 34 VAL MG2 . . 7.610 3.744 2.162 5.159 . 0 0 "[ . 1 . 2]" 1
694 1 14 LEU HB2 1 34 VAL MG2 . . 5.510 3.243 1.944 4.602 . 0 0 "[ . 1 . 2]" 1
695 1 34 VAL MG1 1 35 GLN HA . . 5.510 5.039 3.682 5.525 0.015 10 0 "[ . 1 . 2]" 1
696 1 34 VAL MG1 1 86 VAL HA . . 6.050 5.114 2.850 6.092 0.042 17 0 "[ . 1 . 2]" 1
697 1 33 THR HB 1 34 VAL MG2 . . 6.010 4.579 4.286 4.740 . 0 0 "[ . 1 . 2]" 1
698 1 33 THR HA 1 34 VAL MG2 . . 5.690 3.469 3.164 3.729 . 0 0 "[ . 1 . 2]" 1
699 1 36 VAL MG1 1 38 LEU MD1 . . 7.070 3.838 1.979 4.801 . 0 0 "[ . 1 . 2]" 1
700 1 36 VAL MG1 1 38 LEU MD2 . . 6.380 3.311 2.445 4.476 . 0 0 "[ . 1 . 2]" 1
701 1 36 VAL MG1 1 84 VAL MG2 . . 7.320 4.659 3.887 6.391 . 0 0 "[ . 1 . 2]" 1
702 1 14 LEU MD1 1 36 VAL MG1 . . 6.670 2.940 2.044 3.931 . 0 0 "[ . 1 . 2]" 1
703 1 11 LEU MD1 1 36 VAL MG1 . . 6.380 1.981 1.796 2.234 . 0 0 "[ . 1 . 2]" 1
704 1 36 VAL MG1 1 38 LEU HA . . 6.620 5.029 4.206 6.481 . 0 0 "[ . 1 . 2]" 1
705 1 36 VAL MG1 1 78 PHE QE . . 8.720 3.238 2.731 3.731 . 0 0 "[ . 1 . 2]" 1
706 1 36 VAL MG1 1 78 PHE HZ . . 5.940 3.179 2.286 4.289 . 0 0 "[ . 1 . 2]" 1
707 1 36 VAL MG1 1 38 LEU H . . 6.700 4.749 4.165 5.627 . 0 0 "[ . 1 . 2]" 1
708 1 38 LEU MD2 1 85 THR H . . 5.720 3.245 2.395 5.722 0.002 18 0 "[ . 1 . 2]" 1
709 1 38 LEU MD2 1 78 PHE QD . . 9.110 3.055 2.250 3.633 . 0 0 "[ . 1 . 2]" 1
710 1 38 LEU MD2 1 78 PHE QE . . 8.110 3.233 2.318 3.861 . 0 0 "[ . 1 . 2]" 1
711 1 38 LEU MD1 1 48 PHE QE . . 8.040 3.492 2.764 4.814 . 0 0 "[ . 1 . 2]" 1
712 1 38 LEU MD1 1 48 PHE QD . . 9.000 3.868 3.029 5.529 . 0 0 "[ . 1 . 2]" 1
713 1 38 LEU MD1 1 78 PHE QD . . 7.350 3.424 2.471 5.550 . 0 0 "[ . 1 . 2]" 1
714 1 38 LEU MD1 1 78 PHE QE . . 9.150 4.231 3.349 6.197 . 0 0 "[ . 1 . 2]" 1
715 1 38 LEU MD2 1 78 PHE HZ . . 7.020 4.218 3.080 5.164 . 0 0 "[ . 1 . 2]" 1
716 1 38 LEU MD2 1 84 VAL HA . . 4.890 2.369 1.847 4.581 . 0 0 "[ . 1 . 2]" 1
717 1 11 LEU MD1 1 38 LEU MD2 . . 6.270 2.981 2.103 3.541 . 0 0 "[ . 1 . 2]" 1
718 1 11 LEU MD1 1 38 LEU MD1 . . 6.890 2.279 1.877 3.757 . 0 0 "[ . 1 . 2]" 1
719 1 38 LEU MD2 1 84 VAL MG2 . . 5.810 2.234 1.934 3.235 . 0 0 "[ . 1 . 2]" 1
720 1 38 LEU MD2 1 84 VAL MG1 . . 5.880 2.509 2.071 4.057 . 0 0 "[ . 1 . 2]" 1
721 1 39 GLU HB3 1 83 ALA MB . . 4.390 2.738 1.764 3.880 . 0 0 "[ . 1 . 2]" 1
722 1 39 GLU HG2 1 83 ALA MB . . 6.230 4.274 2.991 5.067 . 0 0 "[ . 1 . 2]" 1
723 1 39 GLU HG3 1 83 ALA MB . . 6.230 3.867 3.006 4.454 . 0 0 "[ . 1 . 2]" 1
724 1 44 VAL MG2 1 81 ASP HB3 . . 5.940 4.857 4.110 5.248 . 0 0 "[ . 1 . 2]" 1
725 1 44 VAL MG1 1 81 ASP HB3 . . 6.340 4.152 3.124 4.738 . 0 0 "[ . 1 . 2]" 1
726 1 44 VAL MG2 1 47 VAL H . . 6.910 5.310 5.025 5.670 . 0 0 "[ . 1 . 2]" 1
727 1 9 LEU H 1 45 LEU MD2 . . 5.470 3.794 2.938 4.458 . 0 0 "[ . 1 . 2]" 1
728 1 9 LEU H 1 45 LEU MD1 . . 5.220 3.483 2.433 4.224 . 0 0 "[ . 1 . 2]" 1
729 1 42 ARG H 1 45 LEU MD1 . . 7.020 4.111 3.612 4.798 . 0 0 "[ . 1 . 2]" 1
730 1 39 GLU HA 1 45 LEU MD2 . . 6.330 3.821 3.288 4.370 . 0 0 "[ . 1 . 2]" 1
731 1 42 ARG HA 1 45 LEU MD2 . . 5.580 4.486 3.999 5.172 . 0 0 "[ . 1 . 2]" 1
732 1 42 ARG HA 1 45 LEU MD1 . . 4.680 2.240 1.788 3.050 . 0 0 "[ . 1 . 2]" 1
733 1 7 GLY HA3 1 45 LEU MD1 . . 5.940 2.835 2.183 3.471 . 0 0 "[ . 1 . 2]" 1
734 1 7 GLY HA2 1 45 LEU MD1 . . 5.940 4.024 3.377 4.539 . 0 0 "[ . 1 . 2]" 1
735 1 39 GLU HA 1 45 LEU MD1 . . 5.900 3.198 2.441 3.877 . 0 0 "[ . 1 . 2]" 1
736 1 9 LEU HB3 1 45 LEU MD2 . . 5.970 2.363 1.930 2.764 . 0 0 "[ . 1 . 2]" 1
737 1 38 LEU MD1 1 45 LEU MD2 . . 6.240 3.181 1.901 4.829 . 0 0 "[ . 1 . 2]" 1
738 1 46 THR MG 1 49 ARG H . . 6.050 4.536 4.334 4.743 . 0 0 "[ . 1 . 2]" 1
739 1 46 THR MG 1 47 VAL HA . . 4.570 3.674 3.590 3.822 . 0 0 "[ . 1 . 2]" 1
740 1 46 THR HB 1 47 VAL MG2 . . 5.720 3.207 3.053 3.425 . 0 0 "[ . 1 . 2]" 1
741 1 9 LEU MD2 1 49 ARG HB3 . . 5.650 4.754 3.905 5.657 0.007 11 0 "[ . 1 . 2]" 1
742 1 9 LEU MD2 1 49 ARG HB2 . . 4.790 4.041 2.520 4.900 0.110 3 0 "[ . 1 . 2]" 1
743 1 9 LEU MD1 1 49 ARG QD . . 5.780 3.406 1.809 4.813 . 0 0 "[ . 1 . 2]" 1
744 1 50 PHE HA 1 51 ALA MB . . 6.590 4.952 4.905 4.994 . 0 0 "[ . 1 . 2]" 1
745 1 48 PHE HA 1 51 ALA MB . . 4.140 3.064 2.386 3.432 . 0 0 "[ . 1 . 2]" 1
746 1 48 PHE QB 1 51 ALA MB . . 6.930 4.554 3.749 4.886 . 0 0 "[ . 1 . 2]" 1
747 1 49 ARG H 1 51 ALA MB . . 6.480 5.066 4.580 5.359 . 0 0 "[ . 1 . 2]" 1
748 1 36 VAL MG1 1 57 VAL MG1 . . 8.040 5.041 3.518 6.177 . 0 0 "[ . 1 . 2]" 1
749 1 57 VAL MG2 1 78 PHE QE . . 8.470 3.960 2.501 5.816 . 0 0 "[ . 1 . 2]" 1
750 1 59 VAL HA 1 61 LEU MD1 . . 5.330 5.357 5.111 5.432 0.102 9 0 "[ . 1 . 2]" 1
751 1 59 VAL HB 1 73 VAL MG2 . . 4.860 4.806 4.507 4.910 0.050 8 0 "[ . 1 . 2]" 1
752 1 59 VAL MG1 1 73 VAL HA . . 4.210 3.067 1.875 3.732 . 0 0 "[ . 1 . 2]" 1
753 1 18 VAL HA 1 59 VAL MG2 . . 4.750 3.353 1.978 4.499 . 0 0 "[ . 1 . 2]" 1
754 1 61 LEU MD2 1 71 VAL H . . 4.970 4.745 4.283 5.039 0.069 17 0 "[ . 1 . 2]" 1
755 1 61 LEU MD2 1 64 ALA H . . 6.410 4.084 3.522 4.555 . 0 0 "[ . 1 . 2]" 1
756 1 61 LEU MD1 1 93 VAL HB . . 4.140 2.666 1.776 4.163 0.023 9 0 "[ . 1 . 2]" 1
757 1 59 VAL HB 1 61 LEU MD1 . . 4.930 3.392 2.921 4.059 . 0 0 "[ . 1 . 2]" 1
758 1 61 LEU MD2 1 71 VAL MG1 . . 5.950 2.419 1.771 3.200 . 0 0 "[ . 1 . 2]" 1
759 1 61 LEU HA 1 64 ALA MB . . 4.500 3.372 2.590 4.457 . 0 0 "[ . 1 . 2]" 1
760 1 63 GLU H 1 64 ALA MB . . 5.150 3.992 3.721 4.426 . 0 0 "[ . 1 . 2]" 1
761 1 70 THR HA 1 71 VAL MG1 . . 6.120 3.883 3.767 3.992 . 0 0 "[ . 1 . 2]" 1
762 1 70 THR MG 1 90 MET QB . . 5.450 2.149 1.689 3.649 . 0 0 "[ . 1 . 2]" 1
763 1 70 THR MG 1 90 MET QG . . 5.740 3.236 1.735 4.545 . 0 0 "[ . 1 . 2]" 1
764 1 70 THR MG 1 91 ALA H . . 5.720 3.309 2.968 4.947 . 0 0 "[ . 1 . 2]" 1
765 1 61 LEU MD2 1 71 VAL HB . . 4.610 3.979 3.298 4.645 0.035 16 0 "[ . 1 . 2]" 1
766 1 61 LEU MD2 1 71 VAL MG2 . . 5.450 2.168 1.775 2.747 . 0 0 "[ . 1 . 2]" 1
767 1 70 THR HA 1 71 VAL MG2 . . 5.000 3.659 3.468 3.740 . 0 0 "[ . 1 . 2]" 1
768 1 44 VAL MG2 1 81 ASP HB2 . . 5.940 5.828 4.717 6.040 0.100 10 0 "[ . 1 . 2]" 1
769 1 44 VAL MG1 1 81 ASP HB2 . . 6.340 5.212 3.862 5.847 . 0 0 "[ . 1 . 2]" 1
770 1 38 LEU MD1 1 82 LEU MD1 . . 6.670 2.618 1.923 4.315 . 0 0 "[ . 1 . 2]" 1
771 1 44 VAL HB 1 82 LEU MD2 . . 4.790 2.437 2.071 2.890 . 0 0 "[ . 1 . 2]" 1
772 1 79 PRO QD 1 82 LEU MD2 . . 7.510 5.186 3.978 6.016 . 0 0 "[ . 1 . 2]" 1
773 1 40 GLY HA3 1 82 LEU MD2 . . 6.080 2.341 1.794 2.898 . 0 0 "[ . 1 . 2]" 1
774 1 40 GLY HA2 1 82 LEU MD2 . . 6.080 3.800 2.916 4.413 . 0 0 "[ . 1 . 2]" 1
775 1 79 PRO QG 1 82 LEU MD1 . . 7.910 4.016 2.393 5.477 . 0 0 "[ . 1 . 2]" 1
776 1 44 VAL HB 1 82 LEU MD1 . . 5.800 3.393 2.625 5.386 . 0 0 "[ . 1 . 2]" 1
777 1 38 LEU MD1 1 84 VAL MG2 . . 8.040 3.878 3.133 4.268 . 0 0 "[ . 1 . 2]" 1
778 1 38 LEU HB2 1 84 VAL MG2 . . 7.020 5.406 2.900 5.834 . 0 0 "[ . 1 . 2]" 1
779 1 83 ALA MB 1 84 VAL MG2 . . 8.040 4.461 4.273 4.534 . 0 0 "[ . 1 . 2]" 1
780 1 38 LEU HB3 1 84 VAL MG2 . . 7.020 4.311 2.268 4.757 . 0 0 "[ . 1 . 2]" 1
781 1 36 VAL MG1 1 84 VAL MG1 . . 5.810 3.106 2.201 4.933 . 0 0 "[ . 1 . 2]" 1
782 1 36 VAL MG2 1 84 VAL MG1 . . 7.820 3.506 1.907 4.581 . 0 0 "[ . 1 . 2]" 1
783 1 78 PHE QB 1 84 VAL MG2 . . 6.890 4.350 3.169 5.397 . 0 0 "[ . 1 . 2]" 1
784 1 83 ALA HA 1 84 VAL MG2 . . 5.180 3.598 3.322 3.755 . 0 0 "[ . 1 . 2]" 1
785 1 38 LEU HA 1 84 VAL MG2 . . 7.020 4.120 3.633 4.556 . 0 0 "[ . 1 . 2]" 1
786 1 38 LEU HA 1 84 VAL MG1 . . 7.020 4.276 3.796 4.707 . 0 0 "[ . 1 . 2]" 1
787 1 78 PHE QD 1 84 VAL MG1 . . 9.150 3.793 3.008 4.889 . 0 0 "[ . 1 . 2]" 1
788 1 78 PHE QE 1 84 VAL MG1 . . 9.150 2.207 1.773 3.080 . 0 0 "[ . 1 . 2]" 1
789 1 84 VAL MG1 1 85 THR HA . . 6.620 3.733 3.457 3.997 . 0 0 "[ . 1 . 2]" 1
790 1 34 VAL MG1 1 87 GLU QB . . 5.340 4.411 3.573 5.558 0.218 16 0 "[ . 1 . 2]" 1
791 1 34 VAL HB 1 86 VAL MG1 . . 3.890 2.990 2.426 3.558 . 0 0 "[ . 1 . 2]" 1
792 1 86 VAL MG2 1 89 ARG HA . . 4.610 4.505 3.843 4.806 0.196 5 0 "[ . 1 . 2]" 1
793 1 85 THR HA 1 86 VAL MG2 . . 4.930 3.235 3.116 3.331 . 0 0 "[ . 1 . 2]" 1
794 1 86 VAL MG1 1 87 GLU HA . . 5.580 4.030 3.623 4.691 . 0 0 "[ . 1 . 2]" 1
795 1 70 THR MG 1 90 MET ME . . 5.630 2.726 1.771 4.680 . 0 0 "[ . 1 . 2]" 1
796 1 71 VAL MG1 1 90 MET ME . . 6.710 4.219 3.048 5.147 . 0 0 "[ . 1 . 2]" 1
797 1 71 VAL HA 1 90 MET ME . . 3.990 2.985 2.181 4.022 0.032 3 0 "[ . 1 . 2]" 1
798 1 70 THR HB 1 90 MET ME . . 5.580 3.586 2.350 5.616 0.036 3 0 "[ . 1 . 2]" 1
799 1 72 ASP H 1 90 MET ME . . 4.710 3.627 3.074 4.234 . 0 0 "[ . 1 . 2]" 1
800 1 59 VAL MG1 1 91 ALA MB . . 5.840 3.641 2.241 5.089 . 0 0 "[ . 1 . 2]" 1
801 1 73 VAL MG2 1 91 ALA MB . . 5.770 2.082 1.918 2.376 . 0 0 "[ . 1 . 2]" 1
802 1 16 LEU MD2 1 91 ALA MB . . 5.550 3.164 1.919 4.454 . 0 0 "[ . 1 . 2]" 1
803 1 31 THR MG 1 91 ALA MB . . 5.840 2.987 1.925 3.979 . 0 0 "[ . 1 . 2]" 1
804 1 31 THR HB 1 91 ALA MB . . 4.210 2.875 2.055 3.778 . 0 0 "[ . 1 . 2]" 1
805 1 93 VAL MG1 1 94 GLN HA . . 5.080 3.892 3.691 4.249 . 0 0 "[ . 1 . 2]" 1
806 1 30 GLN HA 1 93 VAL MG2 . . 5.220 2.860 1.975 3.876 . 0 0 "[ . 1 . 2]" 1
807 1 28 VAL MG2 1 94 GLN HG3 . . 4.930 3.934 2.433 4.948 0.018 14 0 "[ . 1 . 2]" 1
808 1 28 VAL MG1 1 94 GLN QB . . 5.920 3.667 3.211 4.301 . 0 0 "[ . 1 . 2]" 1
809 1 27 ILE HA 1 95 LEU MD2 . . 4.640 2.231 1.907 2.619 . 0 0 "[ . 1 . 2]" 1
810 1 20 TYR QD 1 95 LEU MD2 . . 9.150 3.328 2.702 4.575 . 0 0 "[ . 1 . 2]" 1
811 1 20 TYR QE 1 95 LEU MD2 . . 9.150 4.107 2.678 5.844 . 0 0 "[ . 1 . 2]" 1
812 1 27 ILE H 1 95 LEU MD2 . . 6.870 3.806 3.352 4.217 . 0 0 "[ . 1 . 2]" 1
813 1 26 ASP H 1 95 LEU MD2 . . 7.020 4.006 3.555 4.525 . 0 0 "[ . 1 . 2]" 1
814 1 25 TYR QD 1 95 LEU MD1 . . 9.150 3.449 2.587 4.350 . 0 0 "[ . 1 . 2]" 1
815 1 20 TYR QD 1 95 LEU MD1 . . 8.460 3.694 2.476 5.602 . 0 0 "[ . 1 . 2]" 1
816 1 25 TYR HB3 1 95 LEU MD2 . . 6.870 3.284 2.761 3.858 . 0 0 "[ . 1 . 2]" 1
817 1 25 TYR HB2 1 95 LEU MD2 . . 6.870 3.255 2.649 4.254 . 0 0 "[ . 1 . 2]" 1
818 1 27 ILE MG 1 95 LEU MD2 . . 7.170 3.161 2.601 3.504 . 0 0 "[ . 1 . 2]" 1
819 1 93 VAL MG1 1 95 LEU MD2 . . 6.090 2.978 2.340 3.899 . 0 0 "[ . 1 . 2]" 1
820 1 27 ILE MG 1 95 LEU MD1 . . 7.460 5.219 4.422 5.600 . 0 0 "[ . 1 . 2]" 1
821 1 93 VAL MG1 1 95 LEU MD1 . . 6.850 3.413 2.701 3.915 . 0 0 "[ . 1 . 2]" 1
822 1 16 LEU MD2 1 31 THR MG . . 6.450 3.509 1.826 4.702 . 0 0 "[ . 1 . 2]" 1
823 1 18 VAL H 1 27 ILE MD . . 7.020 4.037 3.253 5.009 . 0 0 "[ . 1 . 2]" 1
824 1 47 VAL MG1 1 51 ALA MB . . 6.130 4.205 3.572 4.766 . 0 0 "[ . 1 . 2]" 1
825 1 36 VAL MG1 1 57 VAL MG2 . . 8.040 4.241 3.160 5.539 . 0 0 "[ . 1 . 2]" 1
826 1 61 LEU HG 1 64 ALA MB . . 5.870 4.619 4.079 5.861 . 0 0 "[ . 1 . 2]" 1
827 1 38 LEU MD1 1 82 LEU MD2 . . 8.040 4.624 3.132 6.262 . 0 0 "[ . 1 . 2]" 1
828 1 38 LEU MD2 1 82 LEU MD1 . . 6.740 3.072 2.093 3.698 . 0 0 "[ . 1 . 2]" 1
829 1 82 LEU MD1 1 84 VAL MG2 . . 8.040 4.200 2.348 4.623 . 0 0 "[ . 1 . 2]" 1
830 1 28 VAL MG2 1 94 GLN QB . . 7.290 3.913 3.457 4.433 . 0 0 "[ . 1 . 2]" 1
831 1 19 LEU MD2 1 20 TYR QE . . 9.150 5.427 4.737 6.389 . 0 0 "[ . 1 . 2]" 1
832 1 14 LEU MD1 1 55 TYR QD . . 8.540 2.386 1.789 3.757 . 0 0 "[ . 1 . 2]" 1
833 1 73 VAL MG2 1 89 ARG HA . . 6.370 4.387 3.177 5.910 . 0 0 "[ . 1 . 2]" 1
834 1 86 VAL MG1 1 89 ARG HA . . 5.940 4.308 2.233 5.909 . 0 0 "[ . 1 . 2]" 1
835 1 84 VAL MG1 1 86 VAL MG1 . . 6.310 3.809 3.219 4.280 . 0 0 "[ . 1 . 2]" 1
836 1 84 VAL MG1 1 86 VAL MG2 . . 6.780 2.206 1.955 2.763 . 0 0 "[ . 1 . 2]" 1
837 1 14 LEU MD1 1 36 VAL H . . 7.020 4.445 3.899 4.967 . 0 0 "[ . 1 . 2]" 1
838 1 18 VAL MG1 1 19 LEU HA . . 5.180 3.860 3.721 4.045 . 0 0 "[ . 1 . 2]" 1
839 1 18 VAL MG2 1 59 VAL H . . 7.020 3.917 3.227 4.293 . 0 0 "[ . 1 . 2]" 1
840 1 61 LEU MD1 1 71 VAL MG2 . . 6.170 2.777 1.909 3.837 . 0 0 "[ . 1 . 2]" 1
841 1 44 VAL MG1 1 82 LEU MD2 . . 7.350 2.282 2.025 2.811 . 0 0 "[ . 1 . 2]" 1
842 1 44 VAL MG2 1 82 LEU MD2 . . 8.040 2.825 2.317 3.576 . 0 0 "[ . 1 . 2]" 1
843 1 39 GLU H 1 83 ALA MB . . 4.820 2.681 2.236 3.255 . 0 0 "[ . 1 . 2]" 1
844 1 18 VAL MG1 1 59 VAL HB . . 5.290 3.639 2.636 4.743 . 0 0 "[ . 1 . 2]" 1
845 1 16 LEU MD1 1 91 ALA MB . . 5.910 3.289 2.508 4.311 . 0 0 "[ . 1 . 2]" 1
846 1 18 VAL MG1 1 93 VAL HB . . 4.500 3.791 2.964 4.516 0.016 1 0 "[ . 1 . 2]" 1
847 1 27 ILE MG 1 93 VAL HB . . 6.590 4.896 4.084 5.760 . 0 0 "[ . 1 . 2]" 1
848 1 18 VAL MG1 1 95 LEU MD1 . . 6.780 3.620 2.918 4.606 . 0 0 "[ . 1 . 2]" 1
849 1 11 LEU MD2 1 38 LEU MD1 . . 7.170 2.619 2.098 3.446 . 0 0 "[ . 1 . 2]" 1
850 1 45 LEU HA 1 82 LEU MD1 . . 6.880 3.731 3.119 6.110 . 0 0 "[ . 1 . 2]" 1
851 1 45 LEU HA 1 82 LEU MD2 . . 6.770 4.632 3.583 5.349 . 0 0 "[ . 1 . 2]" 1
852 1 82 LEU HA 1 83 ALA MB . . 5.330 4.145 4.026 4.233 . 0 0 "[ . 1 . 2]" 1
853 1 39 GLU HB2 1 83 ALA MB . . 4.210 2.350 1.705 3.594 . 0 0 "[ . 1 . 2]" 1
854 1 38 LEU MD1 1 84 VAL MG1 . . 8.040 4.233 2.411 4.701 . 0 0 "[ . 1 . 2]" 1
855 1 27 ILE MG 1 28 VAL HA . . 6.590 3.945 3.753 4.141 . 0 0 "[ . 1 . 2]" 1
856 1 28 VAL MG2 1 95 LEU HA . . 6.950 3.432 2.920 4.234 . 0 0 "[ . 1 . 2]" 1
857 1 36 VAL MG2 1 38 LEU MD1 . . 7.170 4.986 3.634 6.613 . 0 0 "[ . 1 . 2]" 1
858 1 11 LEU MD2 1 36 VAL MG1 . . 6.530 4.095 3.830 4.472 . 0 0 "[ . 1 . 2]" 1
859 1 14 LEU MD1 1 36 VAL MG2 . . 6.060 2.599 1.755 4.108 . 0 0 "[ . 1 . 2]" 1
860 1 11 LEU MD1 1 14 LEU MD1 . . 6.060 2.467 1.833 3.450 . 0 0 "[ . 1 . 2]" 1
861 1 11 LEU MD2 1 38 LEU MD2 . . 8.040 4.197 2.841 4.809 . 0 0 "[ . 1 . 2]" 1
862 1 11 LEU QB 1 14 LEU MD2 . . 6.930 2.856 2.031 3.710 . 0 0 "[ . 1 . 2]" 1
863 1 11 LEU QB 1 14 LEU MD1 . . 7.180 2.598 1.963 3.562 . 0 0 "[ . 1 . 2]" 1
864 1 18 VAL MG1 1 95 LEU MD2 . . 6.670 3.149 2.475 3.894 . 0 0 "[ . 1 . 2]" 1
865 1 11 LEU MD1 1 36 VAL HA . . 6.190 4.631 4.412 4.952 . 0 0 "[ . 1 . 2]" 1
866 1 14 LEU HG 1 36 VAL MG2 . . 6.550 3.758 2.771 5.763 . 0 0 "[ . 1 . 2]" 1
867 1 11 LEU MD2 1 14 LEU HG . . 7.020 5.318 4.557 6.139 . 0 0 "[ . 1 . 2]" 1
868 1 17 THR MG 1 58 PHE QB . . 6.850 3.468 2.612 4.697 . 0 0 "[ . 1 . 2]" 1
869 1 18 VAL MG2 1 61 LEU HG . . 7.020 5.058 3.919 5.878 . 0 0 "[ . 1 . 2]" 1
870 1 19 LEU HA 1 62 THR MG . . 5.720 4.916 3.759 5.764 0.044 13 0 "[ . 1 . 2]" 1
871 1 32 GLU HB2 1 33 THR MG . . 6.550 3.540 2.811 4.353 . 0 0 "[ . 1 . 2]" 1
872 1 32 GLU HB3 1 33 THR MG . . 6.550 3.129 2.742 4.371 . 0 0 "[ . 1 . 2]" 1
873 1 28 VAL MG2 1 94 GLN HG2 . . 4.930 3.217 2.378 4.755 . 0 0 "[ . 1 . 2]" 1
874 1 59 VAL HA 1 71 VAL MG2 . . 5.000 4.552 3.674 5.039 0.039 3 0 "[ . 1 . 2]" 1
875 1 27 ILE MG 1 30 GLN HB2 . . 4.460 3.259 1.991 4.008 . 0 0 "[ . 1 . 2]" 1
876 1 9 LEU HB2 1 45 LEU MD2 . . 5.970 2.535 1.855 2.992 . 0 0 "[ . 1 . 2]" 1
877 1 48 PHE QD 1 49 ARG H . . 7.440 3.933 3.219 4.166 . 0 0 "[ . 1 . 2]" 1
878 1 20 TYR QD 1 22 GLU HA . . 7.620 3.465 2.648 4.536 . 0 0 "[ . 1 . 2]" 1
879 1 20 TYR QE 1 22 GLU HA . . 6.010 3.176 2.182 5.592 . 0 0 "[ . 1 . 2]" 1
880 1 20 TYR QE 1 26 ASP HA . . 6.770 3.276 1.766 5.484 . 0 0 "[ . 1 . 2]" 1
881 1 25 TYR QE 1 97 GLU QG . . 6.500 4.004 2.293 6.029 . 0 0 "[ . 1 . 2]" 1
882 1 24 ARG QD 1 25 TYR QE . . 8.300 4.636 2.738 5.693 . 0 0 "[ . 1 . 2]" 1
883 1 24 ARG HA 1 25 TYR QE . . 6.300 5.561 4.659 6.306 0.006 2 0 "[ . 1 . 2]" 1
884 1 25 TYR QE 1 97 GLU HA . . 7.670 4.231 2.976 5.485 . 0 0 "[ . 1 . 2]" 1
885 1 25 TYR QD 1 97 GLU HA . . 6.150 2.826 1.758 4.478 . 0 0 "[ . 1 . 2]" 1
886 1 18 VAL MG1 1 20 TYR QD . . 7.130 2.799 1.798 4.632 . 0 0 "[ . 1 . 2]" 1
887 1 20 TYR QD 1 27 ILE MD . . 9.150 3.384 2.549 5.344 . 0 0 "[ . 1 . 2]" 1
888 1 18 VAL MG1 1 20 TYR QE . . 8.180 4.405 3.322 6.223 . 0 0 "[ . 1 . 2]" 1
889 1 20 TYR QE 1 27 ILE MD . . 7.140 3.145 1.875 6.997 . 0 0 "[ . 1 . 2]" 1
890 1 9 LEU MD2 1 48 PHE QD . . 6.700 3.209 1.962 6.002 . 0 0 "[ . 1 . 2]" 1
891 1 9 LEU MD2 1 48 PHE QE . . 7.240 4.126 2.766 6.302 . 0 0 "[ . 1 . 2]" 1
892 1 46 THR MG 1 50 PHE QD . . 6.660 3.413 2.117 4.029 . 0 0 "[ . 1 . 2]" 1
893 1 46 THR MG 1 50 PHE QE . . 6.880 2.372 1.927 2.875 . 0 0 "[ . 1 . 2]" 1
894 1 14 LEU MD2 1 55 TYR QD . . 7.420 3.062 1.927 4.219 . 0 0 "[ . 1 . 2]" 1
895 1 14 LEU MD1 1 55 TYR QE . . 6.520 2.905 1.790 5.182 . 0 0 "[ . 1 . 2]" 1
896 1 11 LEU MD1 1 55 TYR QE . . 7.100 3.428 2.653 4.205 . 0 0 "[ . 1 . 2]" 1
897 1 78 PHE QD 1 84 VAL MG2 . . 7.460 2.876 2.329 3.705 . 0 0 "[ . 1 . 2]" 1
898 1 57 VAL MG1 1 78 PHE QE . . 8.470 5.036 3.051 6.528 . 0 0 "[ . 1 . 2]" 1
899 1 11 LEU MD2 1 48 PHE QE . . 7.030 2.102 1.779 2.439 . 0 0 "[ . 1 . 2]" 1
900 1 14 LEU MD2 1 55 TYR QE . . 6.490 2.331 1.763 4.751 . 0 0 "[ . 1 . 2]" 1
901 1 11 LEU MD2 1 78 PHE HZ . . 6.550 6.283 5.551 6.602 0.052 5 0 "[ . 1 . 2]" 1
902 1 4 PHE H 1 4 PHE QB . . 3.180 2.526 2.175 3.133 . 0 0 "[ . 1 . 2]" 1
903 1 4 PHE QB 1 5 ASP H . . 3.850 2.788 1.731 3.695 . 0 0 "[ . 1 . 2]" 1
904 1 7 GLY QA 1 8 ASN H . . 2.710 2.251 2.151 2.293 . 0 0 "[ . 1 . 2]" 1
905 1 7 GLY QA 1 45 LEU MD1 . . 5.470 2.777 2.164 3.347 . 0 0 "[ . 1 . 2]" 1
906 1 8 ASN H 1 8 ASN QB . . 3.610 2.751 2.511 3.329 . 0 0 "[ . 1 . 2]" 1
907 1 8 ASN QD 1 9 LEU H . . 6.210 4.084 3.213 5.222 . 0 0 "[ . 1 . 2]" 1
908 1 8 ASN QD 1 39 GLU HA . . 6.570 3.607 2.915 4.200 . 0 0 "[ . 1 . 2]" 1
909 1 8 ASN QD 1 39 GLU HB2 . . 6.860 3.776 1.974 4.907 . 0 0 "[ . 1 . 2]" 1
910 1 8 ASN QD 1 39 GLU HB3 . . 4.760 3.779 3.386 4.485 . 0 0 "[ . 1 . 2]" 1
911 1 8 ASN QD 1 39 GLU QG . . 4.780 2.169 1.747 2.955 . 0 0 "[ . 1 . 2]" 1
912 1 8 ASN HD21 1 39 GLU HG2 . . 6.000 2.928 1.806 4.832 . 0 0 "[ . 1 . 2]" 1
913 1 9 LEU H 1 9 LEU QB . . 3.870 2.665 2.548 2.756 . 0 0 "[ . 1 . 2]" 1
914 1 9 LEU QB 1 11 LEU MD2 . . 5.590 4.280 3.747 4.729 . 0 0 "[ . 1 . 2]" 1
915 1 9 LEU QB 1 38 LEU MD1 . . 5.670 3.386 1.952 4.274 . 0 0 "[ . 1 . 2]" 1
916 1 9 LEU QB 1 45 LEU MD1 . . 6.680 2.370 1.899 2.845 . 0 0 "[ . 1 . 2]" 1
917 1 9 LEU QB 1 45 LEU MD2 . . 5.420 2.121 1.809 2.479 . 0 0 "[ . 1 . 2]" 1
918 1 10 SER H 1 10 SER QB . . 3.520 2.644 2.325 2.997 . 0 0 "[ . 1 . 2]" 1
919 1 10 SER QB 1 11 LEU H . . 4.240 3.326 2.977 3.627 . 0 0 "[ . 1 . 2]" 1
920 1 13 GLU H 1 13 GLU QB . . 3.250 2.630 2.324 2.969 . 0 0 "[ . 1 . 2]" 1
921 1 13 GLU H 1 13 GLU QG . . 3.330 2.200 1.752 2.707 . 0 0 "[ . 1 . 2]" 1
922 1 13 GLU QB 1 33 THR MG . . 5.770 2.914 2.277 3.491 . 0 0 "[ . 1 . 2]" 1
923 1 13 GLU QG 1 14 LEU H . . 6.810 4.355 4.077 4.857 . 0 0 "[ . 1 . 2]" 1
924 1 14 LEU H 1 57 VAL QG . . 8.350 4.379 3.708 4.974 . 0 0 "[ . 1 . 2]" 1
925 1 14 LEU HA 1 57 VAL QG . . 7.960 4.617 4.023 5.403 . 0 0 "[ . 1 . 2]" 1
926 1 14 LEU HB2 1 57 VAL QG . . 5.720 2.577 1.920 3.222 . 0 0 "[ . 1 . 2]" 1
927 1 14 LEU HB3 1 57 VAL QG . . 5.980 2.741 2.058 3.606 . 0 0 "[ . 1 . 2]" 1
928 1 14 LEU HG 1 57 VAL QG . . 6.410 4.086 3.631 4.461 . 0 0 "[ . 1 . 2]" 1
929 1 15 GLU H 1 15 GLU QG . . 3.780 2.321 2.128 3.306 . 0 0 "[ . 1 . 2]" 1
930 1 15 GLU H 1 57 VAL QG . . 8.170 4.493 3.944 5.191 . 0 0 "[ . 1 . 2]" 1
931 1 15 GLU HA 1 15 GLU QG . . 3.890 2.469 2.393 2.564 . 0 0 "[ . 1 . 2]" 1
932 1 15 GLU HA 1 57 VAL QG . . 8.570 5.043 4.398 5.682 . 0 0 "[ . 1 . 2]" 1
933 1 15 GLU QG 1 16 LEU H . . 6.880 4.137 3.990 4.302 . 0 0 "[ . 1 . 2]" 1
934 1 16 LEU H 1 16 LEU QB . . 3.550 2.299 2.223 2.929 . 0 0 "[ . 1 . 2]" 1
935 1 16 LEU HA 1 57 VAL QG . . 5.260 2.852 1.993 3.670 . 0 0 "[ . 1 . 2]" 1
936 1 16 LEU MD1 1 57 VAL QG . . 8.180 2.670 1.823 3.948 . 0 0 "[ . 1 . 2]" 1
937 1 17 THR H 1 57 VAL QG . . 6.260 3.520 2.934 4.235 . 0 0 "[ . 1 . 2]" 1
938 1 18 VAL MG1 1 20 TYR QB . . 6.170 2.630 2.045 3.098 . 0 0 "[ . 1 . 2]" 1
939 1 19 LEU H 1 19 LEU QB . . 3.770 2.426 2.254 2.499 . 0 0 "[ . 1 . 2]" 1
940 1 21 ASP H 1 21 ASP QB . . 3.690 2.491 2.290 3.049 . 0 0 "[ . 1 . 2]" 1
941 1 21 ASP HA 1 22 GLU QG . . 5.230 3.751 3.216 5.019 . 0 0 "[ . 1 . 2]" 1
942 1 22 GLU H 1 22 GLU QG . . 3.540 2.159 1.761 3.307 . 0 0 "[ . 1 . 2]" 1
943 1 22 GLU QG 1 23 GLU H . . 4.970 3.663 2.753 4.554 . 0 0 "[ . 1 . 2]" 1
944 1 23 GLU H 1 23 GLU QB . . 3.190 2.421 2.198 2.657 . 0 0 "[ . 1 . 2]" 1
945 1 23 GLU H 1 23 GLU QG . . 3.240 2.328 1.806 3.270 0.030 10 0 "[ . 1 . 2]" 1
946 1 23 GLU QB 1 24 ARG H . . 4.170 2.863 1.910 3.621 . 0 0 "[ . 1 . 2]" 1
947 1 23 GLU QG 1 24 ARG H . . 6.880 3.967 2.168 4.860 . 0 0 "[ . 1 . 2]" 1
948 1 24 ARG H 1 24 ARG QB . . 3.420 2.511 2.249 2.866 . 0 0 "[ . 1 . 2]" 1
949 1 24 ARG H 1 24 ARG QG . . 5.110 3.478 2.002 4.381 . 0 0 "[ . 1 . 2]" 1
950 1 24 ARG HA 1 24 ARG QG . . 3.920 2.595 2.222 3.058 . 0 0 "[ . 1 . 2]" 1
951 1 24 ARG HE 1 24 ARG QG . . 3.820 2.465 2.144 3.374 . 0 0 "[ . 1 . 2]" 1
952 1 24 ARG QG 1 25 TYR H . . 5.800 4.087 3.535 4.860 . 0 0 "[ . 1 . 2]" 1
953 1 25 TYR H 1 25 TYR QB . . 3.630 2.639 2.486 2.806 . 0 0 "[ . 1 . 2]" 1
954 1 25 TYR QB 1 95 LEU MD1 . . 7.250 2.834 2.491 3.307 . 0 0 "[ . 1 . 2]" 1
955 1 25 TYR QB 1 95 LEU MD2 . . 6.260 2.849 2.446 3.299 . 0 0 "[ . 1 . 2]" 1
956 1 25 TYR QE 1 97 GLU QB . . 7.250 3.244 1.768 5.887 . 0 0 "[ . 1 . 2]" 1
957 1 26 ASP H 1 26 ASP QB . . 3.670 2.578 2.387 2.961 . 0 0 "[ . 1 . 2]" 1
958 1 26 ASP QB 1 27 ILE H . . 3.610 2.954 2.357 3.436 . 0 0 "[ . 1 . 2]" 1
959 1 27 ILE H 1 27 ILE QG . . 4.000 2.250 1.882 2.386 . 0 0 "[ . 1 . 2]" 1
960 1 27 ILE MG 1 30 GLN QB . . 4.280 2.224 1.973 2.702 . 0 0 "[ . 1 . 2]" 1
961 1 27 ILE QG 1 95 LEU MD1 . . 5.520 4.244 3.779 4.613 . 0 0 "[ . 1 . 2]" 1
962 1 27 ILE QG 1 95 LEU MD2 . . 5.590 2.254 1.779 2.553 . 0 0 "[ . 1 . 2]" 1
963 1 28 VAL H 1 94 GLN QG . . 5.550 3.558 3.219 3.925 . 0 0 "[ . 1 . 2]" 1
964 1 28 VAL MG1 1 94 GLN QG . . 5.780 3.386 2.456 4.218 . 0 0 "[ . 1 . 2]" 1
965 1 28 VAL MG1 1 94 GLN QE . . 5.180 3.152 2.428 3.858 . 0 0 "[ . 1 . 2]" 1
966 1 28 VAL MG2 1 94 GLN QG . . 4.760 2.894 2.336 3.445 . 0 0 "[ . 1 . 2]" 1
967 1 28 VAL MG2 1 94 GLN QE . . 5.150 3.394 2.225 4.564 . 0 0 "[ . 1 . 2]" 1
968 1 29 GLU H 1 94 GLN QG . . 6.200 3.501 2.266 4.032 . 0 0 "[ . 1 . 2]" 1
969 1 29 GLU HA 1 94 GLN QG . . 6.050 5.760 4.080 6.135 0.085 3 0 "[ . 1 . 2]" 1
970 1 32 GLU H 1 32 GLU QB . . 3.650 2.462 2.061 2.814 . 0 0 "[ . 1 . 2]" 1
971 1 32 GLU H 1 32 GLU QG . . 3.500 2.270 1.765 3.023 . 0 0 "[ . 1 . 2]" 1
972 1 32 GLU QB 1 33 THR H . . 3.560 2.237 1.839 3.012 . 0 0 "[ . 1 . 2]" 1
973 1 32 GLU QB 1 33 THR MG . . 5.920 2.870 2.637 3.195 . 0 0 "[ . 1 . 2]" 1
974 1 32 GLU QG 1 33 THR H . . 4.710 3.847 1.765 4.263 . 0 0 "[ . 1 . 2]" 1
975 1 34 VAL HB 1 57 VAL QG . . 6.370 3.996 2.670 5.169 . 0 0 "[ . 1 . 2]" 1
976 1 34 VAL MG2 1 57 VAL QG . . 7.460 2.377 1.836 3.294 . 0 0 "[ . 1 . 2]" 1
977 1 34 VAL MG2 1 88 PRO QG . . 5.750 4.342 1.931 5.893 0.143 11 0 "[ . 1 . 2]" 1
978 1 35 GLN QG 1 36 VAL H . . 4.560 3.234 2.450 4.095 . 0 0 "[ . 1 . 2]" 1
979 1 36 VAL MG1 1 57 VAL QG . . 7.370 3.901 3.114 4.766 . 0 0 "[ . 1 . 2]" 1
980 1 38 LEU H 1 38 LEU QB . . 3.850 2.583 2.447 3.186 . 0 0 "[ . 1 . 2]" 1
981 1 38 LEU QB 1 84 VAL MG2 . . 6.640 4.148 2.192 4.557 . 0 0 "[ . 1 . 2]" 1
982 1 39 GLU H 1 82 LEU QB . . 5.120 3.444 2.885 4.040 . 0 0 "[ . 1 . 2]" 1
983 1 39 GLU QG 1 40 GLY H . . 4.290 3.323 2.358 3.921 . 0 0 "[ . 1 . 2]" 1
984 1 39 GLU QG 1 83 ALA MB . . 5.650 3.519 2.933 3.982 . 0 0 "[ . 1 . 2]" 1
985 1 40 GLY QA 1 82 LEU MD2 . . 5.460 2.320 1.786 2.861 . 0 0 "[ . 1 . 2]" 1
986 1 41 PRO QB 1 44 VAL H . . 4.580 2.560 2.214 2.981 . 0 0 "[ . 1 . 2]" 1
987 1 41 PRO QB 1 44 VAL MG2 . . 5.130 2.271 1.878 3.107 . 0 0 "[ . 1 . 2]" 1
988 1 42 ARG H 1 42 ARG QG . . 4.610 2.303 1.749 3.969 . 0 0 "[ . 1 . 2]" 1
989 1 44 VAL MG1 1 81 ASP QB . . 5.600 3.965 3.064 4.484 . 0 0 "[ . 1 . 2]" 1
990 1 44 VAL MG2 1 81 ASP QB . . 5.620 4.620 3.966 4.842 . 0 0 "[ . 1 . 2]" 1
991 1 46 THR HA 1 49 ARG QG . . 4.790 3.457 2.119 4.072 . 0 0 "[ . 1 . 2]" 1
992 1 49 ARG H 1 49 ARG QG . . 3.870 3.238 2.287 3.880 0.010 16 0 "[ . 1 . 2]" 1
993 1 49 ARG QG 1 50 PHE H . . 6.770 4.546 3.946 4.779 . 0 0 "[ . 1 . 2]" 1
994 1 52 ARG H 1 52 ARG QG . . 3.650 2.575 2.138 3.847 0.197 11 0 "[ . 1 . 2]" 1
995 1 52 ARG H 1 53 PRO QD . . 5.410 4.392 4.328 4.428 . 0 0 "[ . 1 . 2]" 1
996 1 52 ARG HA 1 52 ARG QG . . 3.940 2.365 2.245 2.685 . 0 0 "[ . 1 . 2]" 1
997 1 52 ARG HA 1 53 PRO QD . . 3.520 2.084 1.892 2.308 . 0 0 "[ . 1 . 2]" 1
998 1 53 PRO QB 1 55 TYR QD . . 6.490 3.766 2.708 4.203 . 0 0 "[ . 1 . 2]" 1
999 1 53 PRO QB 1 55 TYR QE . . 6.780 2.914 2.428 3.402 . 0 0 "[ . 1 . 2]" 1
1000 1 54 SER QB 1 55 TYR H . . 4.060 3.574 3.360 3.797 . 0 0 "[ . 1 . 2]" 1
1001 1 55 TYR HA 1 77 GLY QA . . 4.900 1.877 1.690 2.298 . 0 0 "[ . 1 . 2]" 1
1002 1 56 GLU H 1 56 GLU QB . . 3.650 2.617 2.419 2.719 . 0 0 "[ . 1 . 2]" 1
1003 1 56 GLU H 1 77 GLY QA . . 5.010 3.226 2.885 3.732 . 0 0 "[ . 1 . 2]" 1
1004 1 57 VAL H 1 57 VAL QG . . 4.160 2.423 1.965 2.727 . 0 0 "[ . 1 . 2]" 1
1005 1 57 VAL QG 1 58 PHE H . . 6.410 2.830 2.317 3.540 . 0 0 "[ . 1 . 2]" 1
1006 1 57 VAL QG 1 73 VAL MG2 . . 8.110 3.736 3.137 4.570 . 0 0 "[ . 1 . 2]" 1
1007 1 57 VAL QG 1 75 HIS HA . . 7.170 3.172 2.562 3.943 . 0 0 "[ . 1 . 2]" 1
1008 1 57 VAL QG 1 78 PHE HZ . . 8.460 3.864 2.819 5.100 . 0 0 "[ . 1 . 2]" 1
1009 1 57 VAL QG 1 86 VAL MG1 . . 8.540 3.649 2.217 4.863 . 0 0 "[ . 1 . 2]" 1
1010 1 57 VAL QG 1 86 VAL MG2 . . 9.080 4.630 3.559 5.488 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ASP H 1 60 ASP QB . . 3.720 2.414 2.290 2.883 . 0 0 "[ . 1 . 2]" 1
1012 1 64 ALA MB 1 65 GLY QA . . 6.210 3.789 3.507 4.041 . 0 0 "[ . 1 . 2]" 1
1013 1 66 GLU H 1 66 GLU QB . . 3.310 2.644 2.372 2.948 . 0 0 "[ . 1 . 2]" 1
1014 1 66 GLU QB 1 67 GLY H . . 3.540 2.627 2.214 2.943 . 0 0 "[ . 1 . 2]" 1
1015 1 72 ASP H 1 72 ASP QB . . 3.520 2.471 2.199 2.773 . 0 0 "[ . 1 . 2]" 1
1016 1 72 ASP QB 1 73 VAL H . . 3.990 2.978 2.598 3.663 . 0 0 "[ . 1 . 2]" 1
1017 1 81 ASP H 1 81 ASP QB . . 3.140 2.291 2.170 2.612 . 0 0 "[ . 1 . 2]" 1
1018 1 81 ASP QB 1 82 LEU H . . 3.790 2.713 2.185 3.090 . 0 0 "[ . 1 . 2]" 1
1019 1 81 ASP QB 1 82 LEU MD1 . . 6.930 4.264 2.454 4.724 . 0 0 "[ . 1 . 2]" 1
1020 1 82 LEU H 1 82 LEU QB . . 3.420 2.480 2.378 3.058 . 0 0 "[ . 1 . 2]" 1
1021 1 88 PRO QB 1 90 MET H . . 4.500 3.475 2.977 4.006 . 0 0 "[ . 1 . 2]" 1
1022 1 89 ARG H 1 89 ARG QG . . 3.670 2.402 1.781 2.940 . 0 0 "[ . 1 . 2]" 1
1023 1 89 ARG HA 1 89 ARG QG . . 3.520 2.678 2.228 3.310 . 0 0 "[ . 1 . 2]" 1
1024 1 89 ARG QG 1 90 MET H . . 4.280 3.612 2.500 4.149 . 0 0 "[ . 1 . 2]" 1
1025 1 92 ARG QG 1 93 VAL H . . 6.770 3.794 2.706 4.265 . 0 0 "[ . 1 . 2]" 1
1026 1 94 GLN H 1 94 GLN QG . . 4.850 3.906 2.155 4.074 . 0 0 "[ . 1 . 2]" 1
1027 1 94 GLN QG 1 95 LEU H . . 6.300 3.102 2.859 4.210 . 0 0 "[ . 1 . 2]" 1
1028 1 95 LEU H 1 95 LEU QB . . 3.870 2.505 2.436 2.592 . 0 0 "[ . 1 . 2]" 1
1029 1 96 GLU H 1 96 GLU QB . . 3.810 2.634 2.435 3.126 . 0 0 "[ . 1 . 2]" 1
1030 1 97 GLU QB 1 98 ARG H . . 4.420 3.753 2.930 4.035 . 0 0 "[ . 1 . 2]" 1
1031 1 98 ARG H 1 98 ARG QG . . 4.950 3.944 1.946 4.492 . 0 0 "[ . 1 . 2]" 1
1032 1 98 ARG HA 1 98 ARG QG . . 3.900 2.725 2.352 3.388 . 0 0 "[ . 1 . 2]" 1
1033 1 98 ARG HB3 1 98 ARG QG . . 2.580 2.283 2.148 2.401 . 0 0 "[ . 1 . 2]" 1
1034 1 98 ARG QG 1 99 GLN H . . 4.290 2.508 1.746 3.490 . 0 0 "[ . 1 . 2]" 1
1035 1 98 ARG QG 1 100 THR H . . 7.070 4.228 2.320 5.611 . 0 0 "[ . 1 . 2]" 1
1036 1 99 GLN H 1 99 GLN QB . . 2.920 2.429 2.113 2.900 . 0 0 "[ . 1 . 2]" 1
1037 1 99 GLN QB 1 100 THR H . . 4.430 3.140 1.785 3.992 . 0 0 "[ . 1 . 2]" 1
1038 1 99 GLN QB 1 100 THR HB . . 8.330 5.393 3.934 6.600 . 0 0 "[ . 1 . 2]" 1
1039 1 100 THR HA 1 101 VAL QG . . 9.130 3.752 3.286 4.318 . 0 0 "[ . 1 . 2]" 1
1040 1 101 VAL QG 1 102 SER H . . 5.560 3.021 2.244 3.685 . 0 0 "[ . 1 . 2]" 1
1041 1 103 VAL HA 1 104 PRO QD . . 3.130 1.917 1.792 2.101 . 0 0 "[ . 1 . 2]" 1
1042 1 104 PRO QB 1 105 VAL H . . 4.280 3.339 1.887 3.976 . 0 0 "[ . 1 . 2]" 1
1043 1 105 VAL QG 1 106 THR H . . 6.920 3.010 2.164 3.730 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 182
_Distance_constraint_stats_list.Viol_total 628.979
_Distance_constraint_stats_list.Viol_max 0.473
_Distance_constraint_stats_list.Viol_rms 0.1133
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0715
_Distance_constraint_stats_list.Viol_average_violations_only 0.1728
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 5.568 0.364 20 0 "[ . 1 . 2]"
1 9 LEU 0.431 0.239 14 0 "[ . 1 . 2]"
1 14 LEU 0.606 0.322 3 0 "[ . 1 . 2]"
1 17 THR 2.131 0.313 12 0 "[ . 1 . 2]"
1 26 ASP 6.084 0.374 11 0 "[ . 1 . 2]"
1 28 VAL 1.652 0.305 14 0 "[ . 1 . 2]"
1 34 VAL 0.606 0.322 3 0 "[ . 1 . 2]"
1 35 GLN 5.793 0.473 2 0 "[ . 1 . 2]"
1 38 LEU 0.431 0.239 14 0 "[ . 1 . 2]"
1 39 GLU 0.438 0.165 1 0 "[ . 1 . 2]"
1 40 GLY 5.568 0.364 20 0 "[ . 1 . 2]"
1 56 GLU 3.469 0.351 14 0 "[ . 1 . 2]"
1 57 VAL 2.131 0.313 12 0 "[ . 1 . 2]"
1 69 HIS 3.741 0.325 14 0 "[ . 1 . 2]"
1 71 VAL 1.535 0.324 9 0 "[ . 1 . 2]"
1 76 ARG 3.469 0.351 14 0 "[ . 1 . 2]"
1 83 ALA 0.438 0.165 1 0 "[ . 1 . 2]"
1 87 GLU 5.793 0.473 2 0 "[ . 1 . 2]"
1 91 ALA 1.535 0.324 9 0 "[ . 1 . 2]"
1 93 VAL 3.741 0.325 14 0 "[ . 1 . 2]"
1 94 GLN 1.652 0.305 14 0 "[ . 1 . 2]"
1 96 GLU 6.084 0.374 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY O 1 40 GLY N . . 3.000 3.054 2.747 3.277 0.277 13 0 "[ . 1 . 2]" 2
2 1 7 GLY O 1 40 GLY H . . 2.000 2.153 1.818 2.364 0.364 20 0 "[ . 1 . 2]" 2
3 1 26 ASP O 1 96 GLU N . . 3.000 3.103 2.819 3.326 0.326 11 0 "[ . 1 . 2]" 2
4 1 26 ASP O 1 96 GLU H . . 2.000 2.148 1.855 2.374 0.374 11 0 "[ . 1 . 2]" 2
5 1 14 LEU N 1 34 VAL O . . 3.000 2.809 2.690 3.285 0.285 3 0 "[ . 1 . 2]" 2
6 1 14 LEU H 1 34 VAL O . . 2.000 1.880 1.763 2.322 0.322 3 0 "[ . 1 . 2]" 2
7 1 35 GLN O 1 87 GLU N . . 3.000 3.019 2.694 3.309 0.309 2 0 "[ . 1 . 2]" 2
8 1 35 GLN O 1 87 GLU H . . 2.000 2.135 1.820 2.473 0.473 2 0 "[ . 1 . 2]" 2
9 1 9 LEU N 1 38 LEU O . . 3.000 2.784 2.695 2.895 . 0 0 "[ . 1 . 2]" 2
10 1 9 LEU H 1 38 LEU O . . 2.000 1.921 1.733 2.239 0.239 14 0 "[ . 1 . 2]" 2
11 1 17 THR N 1 57 VAL O . . 3.000 2.906 2.709 3.248 0.248 20 0 "[ . 1 . 2]" 2
12 1 17 THR H 1 57 VAL O . . 2.000 1.960 1.734 2.313 0.313 12 0 "[ . 1 . 2]" 2
13 1 69 HIS O 1 93 VAL N . . 3.000 3.010 2.771 3.296 0.296 14 0 "[ . 1 . 2]" 2
14 1 69 HIS O 1 93 VAL H . . 2.000 2.070 1.798 2.325 0.325 14 0 "[ . 1 . 2]" 2
15 1 56 GLU N 1 76 ARG O . . 3.000 2.988 2.793 3.200 0.200 14 0 "[ . 1 . 2]" 2
16 1 56 GLU H 1 76 ARG O . . 2.000 2.106 1.838 2.351 0.351 14 0 "[ . 1 . 2]" 2
17 1 39 GLU N 1 83 ALA O . . 3.000 2.851 2.719 3.118 0.118 1 0 "[ . 1 . 2]" 2
18 1 39 GLU H 1 83 ALA O . . 2.000 1.913 1.760 2.165 0.165 1 0 "[ . 1 . 2]" 2
19 1 71 VAL N 1 91 ALA O . . 3.000 2.926 2.751 3.203 0.203 9 0 "[ . 1 . 2]" 2
20 1 71 VAL H 1 91 ALA O . . 2.000 2.006 1.784 2.324 0.324 9 0 "[ . 1 . 2]" 2
21 1 28 VAL N 1 94 GLN O . . 3.000 2.941 2.768 3.187 0.187 3 0 "[ . 1 . 2]" 2
22 1 28 VAL H 1 94 GLN O . . 2.000 1.999 1.792 2.305 0.305 14 0 "[ . 1 . 2]" 2
stop_
save_
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