NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
514103 |
2lbw   |
17578 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbw
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 668
_Distance_constraint_stats_list.Viol_count 1427
_Distance_constraint_stats_list.Viol_total 3827.652
_Distance_constraint_stats_list.Viol_max 0.687
_Distance_constraint_stats_list.Viol_rms 0.0563
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.1341
_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 2 LYS 0.802 0.273 9 0 "[ . 1 . 2]"
1 3 LYS 0.865 0.273 9 0 "[ . 1 . 2]"
1 4 LEU 0.001 0.001 15 0 "[ . 1 . 2]"
1 5 ASN 0.112 0.038 16 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.997 0.149 16 0 "[ . 1 . 2]"
1 8 VAL 0.979 0.149 16 0 "[ . 1 . 2]"
1 9 LEU 0.023 0.023 8 0 "[ . 1 . 2]"
1 10 LYS 0.055 0.055 8 0 "[ . 1 . 2]"
1 11 THR 8.026 0.424 8 0 "[ . 1 . 2]"
1 12 VAL 2.449 0.230 12 0 "[ . 1 . 2]"
1 13 LYS 1.189 0.178 18 0 "[ . 1 . 2]"
1 14 LYS 1.937 0.164 12 0 "[ . 1 . 2]"
1 15 ALA 3.778 0.160 3 0 "[ . 1 . 2]"
1 16 SER 0.401 0.228 4 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.075 0.031 20 0 "[ . 1 . 2]"
1 19 LYS 1.434 0.194 14 0 "[ . 1 . 2]"
1 20 ASN 4.634 0.209 14 0 "[ . 1 . 2]"
1 21 VAL 1.502 0.228 4 0 "[ . 1 . 2]"
1 22 LYS 0.020 0.020 19 0 "[ . 1 . 2]"
1 23 ARG 3.305 0.273 4 0 "[ . 1 . 2]"
1 24 GLY 0.126 0.126 4 0 "[ . 1 . 2]"
1 25 VAL 3.740 0.233 15 0 "[ . 1 . 2]"
1 26 LYS 1.068 0.141 6 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.992 0.117 7 0 "[ . 1 . 2]"
1 29 VAL 0.118 0.060 20 0 "[ . 1 . 2]"
1 30 LYS 0.118 0.060 20 0 "[ . 1 . 2]"
1 31 ALA 5.977 0.283 3 0 "[ . 1 . 2]"
1 32 LEU 1.392 0.313 18 0 "[ . 1 . 2]"
1 33 ARG 1.428 0.313 18 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.037 0.037 18 0 "[ . 1 . 2]"
1 36 GLU 4.932 0.422 13 0 "[ . 1 . 2]"
1 37 LYS 5.772 0.306 16 0 "[ . 1 . 2]"
1 38 GLY 25.953 0.422 13 0 "[ . 1 . 2]"
1 39 LEU 21.098 0.415 9 0 "[ . 1 . 2]"
1 40 VAL 14.546 0.657 15 16 "[- ******** ***+** *]"
1 41 VAL 5.923 0.379 4 0 "[ . 1 . 2]"
1 42 ILE 16.500 0.425 12 0 "[ . 1 . 2]"
1 43 ALA 15.980 0.428 13 0 "[ . 1 . 2]"
1 44 GLY 4.769 0.687 1 1 "[+ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.184 0.063 2 0 "[ . 1 . 2]"
1 47 TRP 0.312 0.115 2 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 4.912 0.342 13 0 "[ . 1 . 2]"
1 53 SER 4.912 0.342 13 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 9.026 0.446 19 0 "[ . 1 . 2]"
1 59 CYS 6.787 0.584 18 1 "[ . 1 . + 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 1.892 0.279 15 0 "[ . 1 . 2]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 1.448 0.173 20 0 "[ . 1 . 2]"
1 64 VAL 19.101 0.584 18 1 "[ . 1 . + 2]"
1 65 PRO 7.645 0.360 10 0 "[ . 1 . 2]"
1 66 TYR 34.864 0.657 15 16 "[- ******** ***+** *]"
1 67 ILE 11.997 0.542 11 2 "[ - . 1+ . 2]"
1 68 PHE 12.848 0.687 1 3 "[+- . 1* . 2]"
1 69 ILE 6.550 0.428 13 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 4.956 0.251 20 0 "[ . 1 . 2]"
1 76 GLY 2.712 0.210 4 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 3.629 0.230 12 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.831 0.206 16 0 "[ . 1 . 2]"
1 85 THR 2.101 0.210 4 0 "[ . 1 . 2]"
1 86 SER 6.694 0.255 19 0 "[ . 1 . 2]"
1 87 VAL 5.960 0.233 15 0 "[ . 1 . 2]"
1 88 VAL 2.943 0.273 4 0 "[ . 1 . 2]"
1 89 PHE 4.831 0.366 6 0 "[ . 1 . 2]"
1 90 ILE 20.200 0.415 9 0 "[ . 1 . 2]"
1 91 VAL 12.006 0.324 19 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.521 0.209 14 0 "[ . 1 . 2]"
1 94 SER 0.825 0.238 10 0 "[ . 1 . 2]"
1 95 ASN 0.933 0.238 10 0 "[ . 1 . 2]"
1 96 LYS 0.108 0.039 19 0 "[ . 1 . 2]"
1 98 LYS 0.926 0.231 14 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.003 0.003 13 0 "[ . 1 . 2]"
1 102 ASN 0.606 0.303 14 0 "[ . 1 . 2]"
1 103 LYS 2.037 0.142 6 0 "[ . 1 . 2]"
1 107 TYR 1.556 0.164 12 0 "[ . 1 . 2]"
1 108 LYS 2.746 0.231 14 0 "[ . 1 . 2]"
1 109 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PHE 5.082 0.424 8 0 "[ . 1 . 2]"
1 112 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLU 1.020 0.126 11 0 "[ . 1 . 2]"
1 114 VAL 1.020 0.126 11 0 "[ . 1 . 2]"
1 115 VAL 4.234 0.360 10 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 3.856 0.312 12 0 "[ . 1 . 2]"
1 119 GLN 0.287 0.087 19 0 "[ . 1 . 2]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.016 0.008 6 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 2 LYS H 1 3 LYS H . . 4.410 2.677 2.381 3.031 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS H 1 4 LEU H . . 4.480 2.524 2.357 2.736 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 5 ASN H . . 4.250 2.937 2.799 3.000 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASN H 1 6 LYS H . . 4.200 2.898 2.720 3.075 . 0 0 "[ . 1 . 2]" 1
5 1 7 LYS H 1 8 VAL H . . 4.300 2.848 2.615 2.964 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL H 1 9 LEU H . . 3.800 2.637 2.473 2.822 . 0 0 "[ . 1 . 2]" 1
7 1 9 LEU H 1 10 LYS H . . 3.870 2.727 2.597 2.850 . 0 0 "[ . 1 . 2]" 1
8 1 11 THR H 1 12 VAL H . . 4.120 2.876 2.710 3.052 . 0 0 "[ . 1 . 2]" 1
9 1 12 VAL H 1 13 LYS H . . 5.500 2.619 2.517 2.722 . 0 0 "[ . 1 . 2]" 1
10 1 13 LYS H 1 14 LYS H . . 4.310 2.648 2.544 2.779 . 0 0 "[ . 1 . 2]" 1
11 1 16 SER H 1 17 LYS H . . 4.150 2.797 2.734 2.835 . 0 0 "[ . 1 . 2]" 1
12 1 17 LYS H 1 18 ALA H . . 3.670 2.612 2.391 2.700 . 0 0 "[ . 1 . 2]" 1
13 1 18 ALA H 1 19 LYS H . . 3.210 2.494 2.330 2.623 . 0 0 "[ . 1 . 2]" 1
14 1 19 LYS H 1 20 ASN H . . 3.720 2.710 2.615 2.946 . 0 0 "[ . 1 . 2]" 1
15 1 20 ASN H 1 21 VAL H . . 4.570 2.555 2.182 2.997 . 0 0 "[ . 1 . 2]" 1
16 1 23 ARG H 1 24 GLY H . . 4.850 4.274 3.864 4.502 . 0 0 "[ . 1 . 2]" 1
17 1 26 LYS H 1 27 GLU H . . 4.320 2.631 2.585 2.677 . 0 0 "[ . 1 . 2]" 1
18 1 27 GLU H 1 28 VAL H . . 4.670 2.742 2.646 2.848 . 0 0 "[ . 1 . 2]" 1
19 1 28 VAL H 1 29 VAL H . . 3.670 2.830 2.777 2.862 . 0 0 "[ . 1 . 2]" 1
20 1 29 VAL H 1 30 LYS H . . 3.880 2.667 2.543 2.861 . 0 0 "[ . 1 . 2]" 1
21 1 31 ALA H 1 32 LEU H . . 3.440 2.585 2.514 2.826 . 0 0 "[ . 1 . 2]" 1
22 1 33 ARG H 1 34 LYS H . . 3.880 2.409 2.315 2.695 . 0 0 "[ . 1 . 2]" 1
23 1 36 GLU H 1 37 LYS H . . 4.420 2.312 2.000 2.567 . 0 0 "[ . 1 . 2]" 1
24 1 38 GLY H 1 39 LEU H . . 4.940 3.206 3.024 3.351 . 0 0 "[ . 1 . 2]" 1
25 1 39 LEU H 1 40 VAL H . . 4.770 4.433 4.335 4.524 . 0 0 "[ . 1 . 2]" 1
26 1 45 ASP H 1 46 ILE H . . 4.340 2.925 2.190 3.238 . 0 0 "[ . 1 . 2]" 1
27 1 52 ILE H 1 53 SER H . . 4.050 2.723 2.593 2.852 . 0 0 "[ . 1 . 2]" 1
28 1 57 VAL H 1 58 LEU H . . 4.130 2.680 2.612 2.859 . 0 0 "[ . 1 . 2]" 1
29 1 58 LEU H 1 59 CYS H . . 4.030 2.535 2.428 2.574 . 0 0 "[ . 1 . 2]" 1
30 1 59 CYS H 1 60 GLU H . . 4.620 2.563 2.482 2.725 . 0 0 "[ . 1 . 2]" 1
31 1 61 ASP H 1 62 HIS H . . 4.110 2.503 2.408 2.658 . 0 0 "[ . 1 . 2]" 1
32 1 63 SER H 1 64 VAL H . . 4.460 3.393 3.208 3.601 . 0 0 "[ . 1 . 2]" 1
33 1 71 SER H 1 72 LYS H . . 4.840 2.224 1.847 2.985 . 0 0 "[ . 1 . 2]" 1
34 1 94 SER H 1 95 ASN H . . 4.390 4.313 3.005 4.628 0.238 10 0 "[ . 1 . 2]" 1
35 1 95 ASN H 1 96 LYS H . . 4.260 2.821 2.681 3.158 . 0 0 "[ . 1 . 2]" 1
36 1 108 LYS H 1 109 GLU H . . 4.390 2.695 2.555 2.845 . 0 0 "[ . 1 . 2]" 1
37 1 109 GLU H 1 110 SER H . . 5.500 2.936 2.858 3.052 . 0 0 "[ . 1 . 2]" 1
38 1 110 SER H 1 111 PHE H . . 5.390 2.604 2.545 2.694 . 0 0 "[ . 1 . 2]" 1
39 1 111 PHE H 1 112 ASN H . . 3.800 2.913 2.824 3.030 . 0 0 "[ . 1 . 2]" 1
40 1 112 ASN H 1 113 GLU H . . 3.710 2.849 2.720 2.965 . 0 0 "[ . 1 . 2]" 1
41 1 114 VAL H 1 115 VAL H . . 3.800 2.890 2.778 2.983 . 0 0 "[ . 1 . 2]" 1
42 1 115 VAL H 1 116 LYS H . . 3.800 2.814 2.753 2.884 . 0 0 "[ . 1 . 2]" 1
43 1 117 GLU H 1 118 VAL H . . 3.870 2.792 2.700 2.858 . 0 0 "[ . 1 . 2]" 1
44 1 120 ALA H 1 121 LEU H . . 3.690 2.492 2.299 2.678 . 0 0 "[ . 1 . 2]" 1
45 1 21 VAL HA 1 22 LYS H . . 3.530 2.237 2.143 2.294 . 0 0 "[ . 1 . 2]" 1
46 1 22 LYS HA 1 23 ARG H . . 3.470 2.288 2.211 2.408 . 0 0 "[ . 1 . 2]" 1
47 1 23 ARG HA 1 24 GLY H . . 3.700 2.208 2.146 2.390 . 0 0 "[ . 1 . 2]" 1
48 1 35 GLY QA 1 36 GLU H . . 4.300 2.879 2.814 2.920 . 0 0 "[ . 1 . 2]" 1
49 1 38 GLY QA 1 39 LEU H . . 4.100 2.185 2.147 2.244 . 0 0 "[ . 1 . 2]" 1
50 1 39 LEU HA 1 40 VAL H . . 4.300 2.199 2.140 2.294 . 0 0 "[ . 1 . 2]" 1
51 1 40 VAL HA 1 41 VAL H . . 4.300 2.161 2.141 2.205 . 0 0 "[ . 1 . 2]" 1
52 1 41 VAL HA 1 42 ILE H . . 3.800 2.142 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
53 1 42 ILE HA 1 43 ALA H . . 4.300 2.168 2.141 2.191 . 0 0 "[ . 1 . 2]" 1
54 1 43 ALA HA 1 44 GLY H . . 4.300 2.151 2.145 2.181 . 0 0 "[ . 1 . 2]" 1
55 1 63 SER HA 1 64 VAL H . . 3.800 2.183 2.146 2.258 . 0 0 "[ . 1 . 2]" 1
56 1 65 PRO HA 1 66 TYR H . . 3.800 2.162 2.152 2.178 . 0 0 "[ . 1 . 2]" 1
57 1 66 TYR HA 1 67 ILE H . . 3.450 2.543 2.450 2.610 . 0 0 "[ . 1 . 2]" 1
58 1 67 ILE HA 1 68 PHE H . . 4.300 2.233 2.177 2.306 . 0 0 "[ . 1 . 2]" 1
59 1 68 PHE HA 1 69 ILE H . . 4.300 2.145 2.139 2.177 . 0 0 "[ . 1 . 2]" 1
60 1 87 VAL HA 1 88 VAL H . . 4.300 2.151 2.141 2.158 . 0 0 "[ . 1 . 2]" 1
61 1 88 VAL HA 1 89 PHE H . . 3.800 2.181 2.139 2.275 . 0 0 "[ . 1 . 2]" 1
62 1 89 PHE HA 1 90 ILE H . . 3.800 2.233 2.174 2.383 . 0 0 "[ . 1 . 2]" 1
63 1 90 ILE HA 1 91 VAL H . . 3.800 2.182 2.140 2.260 . 0 0 "[ . 1 . 2]" 1
64 1 4 LEU QB 1 5 ASN H . . 4.390 2.373 2.170 2.672 . 0 0 "[ . 1 . 2]" 1
65 1 5 ASN QB 1 6 LYS H . . 4.200 2.663 2.161 3.215 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS QB 1 7 LYS H . . 3.720 2.240 2.055 2.736 . 0 0 "[ . 1 . 2]" 1
67 1 7 LYS QB 1 8 VAL H . . 4.090 2.617 2.395 2.775 . 0 0 "[ . 1 . 2]" 1
68 1 8 VAL HB 1 9 LEU H . . 4.020 2.617 2.201 2.957 . 0 0 "[ . 1 . 2]" 1
69 1 10 LYS QB 1 11 THR H . . 3.730 2.727 2.231 3.425 . 0 0 "[ . 1 . 2]" 1
70 1 11 THR HB 1 12 VAL H . . 4.220 2.331 2.059 2.512 . 0 0 "[ . 1 . 2]" 1
71 1 14 LYS QB 1 15 ALA H . . 3.560 2.368 2.186 2.582 . 0 0 "[ . 1 . 2]" 1
72 1 15 ALA MB 1 16 SER H . . 4.500 2.905 2.607 3.026 . 0 0 "[ . 1 . 2]" 1
73 1 16 SER QB 1 17 LYS H . . 3.960 2.755 2.550 3.367 . 0 0 "[ . 1 . 2]" 1
74 1 17 LYS QB 1 18 ALA H . . 3.740 2.870 2.700 3.486 . 0 0 "[ . 1 . 2]" 1
75 1 18 ALA MB 1 19 LYS H . . 3.800 3.311 3.189 3.491 . 0 0 "[ . 1 . 2]" 1
76 1 21 VAL HB 1 22 LYS H . . 4.500 3.945 2.718 4.251 . 0 0 "[ . 1 . 2]" 1
77 1 22 LYS QB 1 23 ARG H . . 4.010 2.718 2.423 2.948 . 0 0 "[ . 1 . 2]" 1
78 1 23 ARG QB 1 24 GLY H . . 4.540 3.100 2.498 3.615 . 0 0 "[ . 1 . 2]" 1
79 1 26 LYS QB 1 27 GLU H . . 3.440 2.741 2.486 2.849 . 0 0 "[ . 1 . 2]" 1
80 1 27 GLU QB 1 28 VAL H . . 3.900 2.251 2.111 3.122 . 0 0 "[ . 1 . 2]" 1
81 1 28 VAL HB 1 29 VAL H . . 3.720 3.497 3.405 3.564 . 0 0 "[ . 1 . 2]" 1
82 1 30 LYS QB 1 31 ALA H . . 3.420 2.487 2.310 2.703 . 0 0 "[ . 1 . 2]" 1
83 1 31 ALA MB 1 32 LEU H . . 3.550 2.632 2.395 2.878 . 0 0 "[ . 1 . 2]" 1
84 1 34 LYS QB 1 35 GLY H . . 4.050 2.509 2.361 3.224 . 0 0 "[ . 1 . 2]" 1
85 1 36 GLU QB 1 37 LYS H . . 3.860 3.425 3.117 3.728 . 0 0 "[ . 1 . 2]" 1
86 1 37 LYS QB 1 38 GLY H . . 3.840 3.257 2.835 3.673 . 0 0 "[ . 1 . 2]" 1
87 1 39 LEU QB 1 40 VAL H . . 4.350 2.980 2.647 3.310 . 0 0 "[ . 1 . 2]" 1
88 1 40 VAL HB 1 41 VAL H . . 5.410 4.230 3.990 4.398 . 0 0 "[ . 1 . 2]" 1
89 1 50 ASP QB 1 51 VAL H . . 5.500 2.880 2.677 3.549 . 0 0 "[ . 1 . 2]" 1
90 1 51 VAL HB 1 52 ILE H . . 5.240 3.763 2.919 4.055 . 0 0 "[ . 1 . 2]" 1
91 1 58 LEU QB 1 59 CYS H . . 4.040 3.318 3.219 3.456 . 0 0 "[ . 1 . 2]" 1
92 1 59 CYS QB 1 60 GLU H . . 4.370 2.582 2.289 3.395 . 0 0 "[ . 1 . 2]" 1
93 1 61 ASP QB 1 62 HIS H . . 3.960 2.361 2.222 2.432 . 0 0 "[ . 1 . 2]" 1
94 1 65 PRO QB 1 66 TYR H . . 4.320 3.317 3.157 3.586 . 0 0 "[ . 1 . 2]" 1
95 1 66 TYR QB 1 67 ILE H . . 4.410 2.279 2.160 2.446 . 0 0 "[ . 1 . 2]" 1
96 1 67 ILE HB 1 68 PHE H . . 4.030 3.876 3.602 4.108 0.078 1 0 "[ . 1 . 2]" 1
97 1 75 LEU QB 1 76 GLY H . . 4.820 2.533 2.254 2.810 . 0 0 "[ . 1 . 2]" 1
98 1 80 ALA MB 1 81 THR H . . 3.850 3.123 1.969 3.719 . 0 0 "[ . 1 . 2]" 1
99 1 86 SER QB 1 87 VAL H . . 5.250 2.450 1.885 3.220 . 0 0 "[ . 1 . 2]" 1
100 1 88 VAL HB 1 89 PHE H . . 4.460 3.819 2.965 4.169 . 0 0 "[ . 1 . 2]" 1
101 1 95 ASN QB 1 96 LYS H . . 3.280 2.788 2.124 3.319 0.039 19 0 "[ . 1 . 2]" 1
102 1 111 PHE QB 1 112 ASN H . . 4.230 2.317 2.200 2.406 . 0 0 "[ . 1 . 2]" 1
103 1 112 ASN QB 1 113 GLU H . . 3.760 2.522 2.382 3.306 . 0 0 "[ . 1 . 2]" 1
104 1 113 GLU QB 1 114 VAL H . . 3.460 2.380 2.243 2.530 . 0 0 "[ . 1 . 2]" 1
105 1 114 VAL HB 1 115 VAL H . . 4.300 2.165 2.110 2.220 . 0 0 "[ . 1 . 2]" 1
106 1 117 GLU QB 1 118 VAL H . . 3.580 2.588 2.356 3.427 . 0 0 "[ . 1 . 2]" 1
107 1 2 LYS QB 1 3 LYS HA . . 3.850 3.878 3.781 4.123 0.273 9 0 "[ . 1 . 2]" 1
108 1 4 LEU HG 1 5 ASN H . . 5.500 4.497 3.429 4.987 . 0 0 "[ . 1 . 2]" 1
109 1 4 LEU MD1 1 5 ASN H . . 5.500 4.197 3.955 4.438 . 0 0 "[ . 1 . 2]" 1
110 1 4 LEU MD2 1 5 ASN H . . 5.500 3.847 2.107 4.624 . 0 0 "[ . 1 . 2]" 1
111 1 5 ASN QB 1 6 LYS QB . . 5.130 4.575 3.803 5.018 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS QB 1 8 VAL HA . . 4.350 3.880 3.691 4.301 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS H 1 8 VAL QG . . 4.150 4.178 3.898 4.299 0.149 16 0 "[ . 1 . 2]" 1
114 1 8 VAL QG 1 9 LEU H . . 3.400 3.236 2.878 3.423 0.023 8 0 "[ . 1 . 2]" 1
115 1 10 LYS QG 1 11 THR H . . 4.650 3.032 1.932 3.946 . 0 0 "[ . 1 . 2]" 1
116 1 10 LYS QB 1 11 THR HA . . 4.250 3.963 3.737 4.305 0.055 8 0 "[ . 1 . 2]" 1
117 1 11 THR MG 1 12 VAL HA . . 3.900 3.456 3.196 3.843 . 0 0 "[ . 1 . 2]" 1
118 1 11 THR MG 1 12 VAL HB . . 4.500 4.300 4.024 4.662 0.162 17 0 "[ . 1 . 2]" 1
119 1 11 THR MG 1 12 VAL H . . 4.300 3.301 3.100 3.602 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR HB 1 12 VAL HB . . 4.280 4.009 3.825 4.162 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR H 1 12 VAL QG . . 4.070 3.968 3.803 4.089 0.019 20 0 "[ . 1 . 2]" 1
122 1 11 THR HA 1 12 VAL QG . . 5.320 4.836 4.732 4.937 . 0 0 "[ . 1 . 2]" 1
123 1 11 THR HB 1 12 VAL QG . . 5.210 3.972 3.802 4.185 . 0 0 "[ . 1 . 2]" 1
124 1 11 THR HA 1 12 VAL HA . . 4.940 4.756 4.732 4.779 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL QG 1 13 LYS H . . 3.950 2.054 1.877 2.154 . 0 0 "[ . 1 . 2]" 1
126 1 14 LYS QB 1 15 ALA HA . . 4.820 3.837 3.784 3.921 . 0 0 "[ . 1 . 2]" 1
127 1 15 ALA MB 1 16 SER QB . . 4.450 4.232 3.984 4.466 0.016 7 0 "[ . 1 . 2]" 1
128 1 15 ALA MB 1 16 SER HA . . 3.960 3.791 3.671 3.914 . 0 0 "[ . 1 . 2]" 1
129 1 19 LYS QG 1 20 ASN HA . . 5.500 4.972 3.716 5.694 0.194 14 0 "[ . 1 . 2]" 1
130 1 19 LYS HA 1 20 ASN HA . . 4.620 4.534 4.431 4.629 0.009 3 0 "[ . 1 . 2]" 1
131 1 19 LYS QG 1 20 ASN H . . 4.410 4.382 3.783 4.538 0.128 16 0 "[ . 1 . 2]" 1
132 1 21 VAL QG 1 22 LYS H . . 3.870 2.240 1.930 3.136 . 0 0 "[ . 1 . 2]" 1
133 1 25 VAL H 1 26 LYS QB . . 4.390 4.433 4.216 4.531 0.141 6 0 "[ . 1 . 2]" 1
134 1 25 VAL QG 1 26 LYS QB . . 3.170 2.976 2.895 3.149 . 0 0 "[ . 1 . 2]" 1
135 1 25 VAL QG 1 26 LYS H . . 3.730 2.034 1.889 2.160 . 0 0 "[ . 1 . 2]" 1
136 1 28 VAL QG 1 29 VAL H . . 3.670 1.935 1.867 1.976 . 0 0 "[ . 1 . 2]" 1
137 1 29 VAL QG 1 30 LYS H . . 3.830 2.996 1.980 3.253 . 0 0 "[ . 1 . 2]" 1
138 1 29 VAL QG 1 30 LYS HA . . 3.300 3.240 2.897 3.360 0.060 20 0 "[ . 1 . 2]" 1
139 1 32 LEU HG 1 33 ARG H . . 3.950 3.991 3.756 4.263 0.313 18 0 "[ . 1 . 2]" 1
140 1 34 LYS QB 1 35 GLY QA . . 5.340 3.811 3.723 4.184 . 0 0 "[ . 1 . 2]" 1
141 1 34 LYS QG 1 35 GLY H . . 4.930 4.239 4.120 4.421 . 0 0 "[ . 1 . 2]" 1
142 1 35 GLY H 1 36 GLU QG . . 5.450 3.606 3.209 3.936 . 0 0 "[ . 1 . 2]" 1
143 1 35 GLY QA 1 36 GLU QB . . 5.340 4.762 4.629 4.820 . 0 0 "[ . 1 . 2]" 1
144 1 37 LYS QG 1 38 GLY H . . 4.860 3.158 2.167 4.511 . 0 0 "[ . 1 . 2]" 1
145 1 37 LYS QB 1 38 GLY HA2 . . 5.500 4.637 4.346 4.898 . 0 0 "[ . 1 . 2]" 1
146 1 38 GLY H 1 39 LEU HB2 . . 5.500 5.665 5.516 5.760 0.260 1 0 "[ . 1 . 2]" 1
147 1 38 GLY H 1 39 LEU MD1 . . 5.270 5.402 5.298 5.475 0.205 7 0 "[ . 1 . 2]" 1
148 1 38 GLY H 1 39 LEU MD2 . . 5.270 4.676 4.538 4.834 . 0 0 "[ . 1 . 2]" 1
149 1 38 GLY HA3 1 39 LEU MD1 . . 5.500 4.322 4.196 4.483 . 0 0 "[ . 1 . 2]" 1
150 1 38 GLY HA3 1 39 LEU MD2 . . 5.500 2.910 2.807 3.075 . 0 0 "[ . 1 . 2]" 1
151 1 39 LEU QD 1 40 VAL H . . 4.390 3.259 3.148 3.402 . 0 0 "[ . 1 . 2]" 1
152 1 39 LEU HA 1 40 VAL QG . . 4.420 3.620 3.378 3.954 . 0 0 "[ . 1 . 2]" 1
153 1 39 LEU HG 1 40 VAL H . . 5.170 5.027 4.753 5.319 0.149 13 0 "[ . 1 . 2]" 1
154 1 41 VAL QG 1 42 ILE H . . 4.140 2.691 2.412 2.950 . 0 0 "[ . 1 . 2]" 1
155 1 42 ILE QG 1 43 ALA H . . 4.320 4.629 3.733 4.745 0.425 12 0 "[ . 1 . 2]" 1
156 1 42 ILE MG 1 43 ALA H . . 4.140 2.547 2.411 2.913 . 0 0 "[ . 1 . 2]" 1
157 1 42 ILE MG 1 43 ALA HA . . 4.000 4.030 3.682 4.210 0.210 12 0 "[ . 1 . 2]" 1
158 1 42 ILE HA 1 43 ALA MB . . 4.930 3.945 3.876 4.016 . 0 0 "[ . 1 . 2]" 1
159 1 42 ILE MD 1 43 ALA MB . . 5.500 5.118 4.988 5.264 . 0 0 "[ . 1 . 2]" 1
160 1 45 ASP QB 1 46 ILE HA . . 5.060 4.496 4.327 4.701 . 0 0 "[ . 1 . 2]" 1
161 1 45 ASP HA 1 46 ILE QG . . 4.500 4.344 4.231 4.473 . 0 0 "[ . 1 . 2]" 1
162 1 49 ALA HA 1 50 ASP QB . . 5.440 4.869 4.744 5.223 . 0 0 "[ . 1 . 2]" 1
163 1 50 ASP QB 1 51 VAL QG . . 4.310 3.640 3.373 4.301 . 0 0 "[ . 1 . 2]" 1
164 1 50 ASP QB 1 51 VAL HA . . 5.500 3.986 3.847 4.612 . 0 0 "[ . 1 . 2]" 1
165 1 51 VAL QG 1 52 ILE H . . 4.410 2.272 2.018 3.424 . 0 0 "[ . 1 . 2]" 1
166 1 52 ILE MG 1 53 SER H . . 5.040 3.553 3.330 3.696 . 0 0 "[ . 1 . 2]" 1
167 1 52 ILE H 1 53 SER HA . . 5.090 5.336 5.235 5.432 0.342 13 0 "[ . 1 . 2]" 1
168 1 57 VAL MG1 1 58 LEU H . . 4.320 1.798 1.781 1.815 . 0 0 "[ . 1 . 2]" 1
169 1 57 VAL MG2 1 58 LEU H . . 4.320 3.715 3.624 3.772 . 0 0 "[ . 1 . 2]" 1
170 1 57 VAL HA 1 58 LEU QB . . 5.450 5.251 5.226 5.273 . 0 0 "[ . 1 . 2]" 1
171 1 57 VAL HA 1 58 LEU HG . . 6.500 6.257 6.119 6.389 . 0 0 "[ . 1 . 2]" 1
172 1 57 VAL QG 1 58 LEU HA . . 3.570 2.908 2.873 2.977 . 0 0 "[ . 1 . 2]" 1
173 1 58 LEU QD 1 59 CYS H . . 3.950 3.218 3.117 3.405 . 0 0 "[ . 1 . 2]" 1
174 1 58 LEU QD 1 59 CYS HA . . 4.900 2.933 2.671 3.394 . 0 0 "[ . 1 . 2]" 1
175 1 63 SER H 1 64 VAL HB . . 4.990 5.054 4.906 5.163 0.173 20 0 "[ . 1 . 2]" 1
176 1 63 SER HA 1 64 VAL HB . . 5.500 4.923 4.662 5.024 . 0 0 "[ . 1 . 2]" 1
177 1 66 TYR HA 1 67 ILE MG . . 6.500 5.429 5.375 5.471 . 0 0 "[ . 1 . 2]" 1
178 1 67 ILE MG 1 68 PHE HA . . 4.210 3.857 3.647 3.995 . 0 0 "[ . 1 . 2]" 1
179 1 67 ILE QG 1 68 PHE H . . 3.960 4.074 3.966 4.192 0.232 2 0 "[ . 1 . 2]" 1
180 1 67 ILE MG 1 68 PHE H . . 3.890 2.156 1.903 2.381 . 0 0 "[ . 1 . 2]" 1
181 1 67 ILE MD 1 68 PHE H . . 4.450 4.894 4.828 4.992 0.542 11 2 "[ - . 1+ . 2]" 1
182 1 75 LEU MD1 1 76 GLY H . . 5.500 4.197 3.896 4.377 . 0 0 "[ . 1 . 2]" 1
183 1 75 LEU MD2 1 76 GLY H . . 5.500 4.551 3.316 4.875 . 0 0 "[ . 1 . 2]" 1
184 1 75 LEU QB 1 76 GLY QA . . 5.340 3.577 3.493 3.828 . 0 0 "[ . 1 . 2]" 1
185 1 78 ALA MB 1 79 GLY QA . . 5.130 3.670 3.567 3.804 . 0 0 "[ . 1 . 2]" 1
186 1 85 THR MG 1 86 SER H . . 4.900 2.522 1.897 4.226 . 0 0 "[ . 1 . 2]" 1
187 1 86 SER HA 1 87 VAL HA . . 4.470 4.556 4.484 4.589 0.119 15 0 "[ . 1 . 2]" 1
188 1 86 SER HA 1 87 VAL QG . . 4.610 4.189 3.943 4.315 . 0 0 "[ . 1 . 2]" 1
189 1 86 SER QB 1 87 VAL HB . . 5.500 5.089 4.839 5.545 0.045 13 0 "[ . 1 . 2]" 1
190 1 86 SER QB 1 87 VAL MG1 . . 4.390 3.031 2.736 3.446 . 0 0 "[ . 1 . 2]" 1
191 1 86 SER QB 1 87 VAL MG2 . . 4.390 3.136 2.601 3.748 . 0 0 "[ . 1 . 2]" 1
192 1 86 SER H 1 87 VAL MG1 . . 6.500 4.984 4.477 5.146 . 0 0 "[ . 1 . 2]" 1
193 1 86 SER H 1 87 VAL MG2 . . 5.090 3.782 3.254 4.045 . 0 0 "[ . 1 . 2]" 1
194 1 87 VAL HA 1 88 VAL QG . . 4.530 3.539 3.377 4.025 . 0 0 "[ . 1 . 2]" 1
195 1 88 VAL QG 1 89 PHE HA . . 4.400 3.328 3.082 3.519 . 0 0 "[ . 1 . 2]" 1
196 1 89 PHE HA 1 90 ILE MD . . 4.430 2.992 2.856 3.231 . 0 0 "[ . 1 . 2]" 1
197 1 89 PHE HB2 1 90 ILE MD . . 5.500 4.553 4.365 4.963 . 0 0 "[ . 1 . 2]" 1
198 1 89 PHE HB3 1 90 ILE MD . . 5.500 5.090 4.975 5.244 . 0 0 "[ . 1 . 2]" 1
199 1 89 PHE HD2 1 90 ILE H . . 5.180 3.506 3.077 3.992 . 0 0 "[ . 1 . 2]" 1
200 1 89 PHE HD2 1 90 ILE MD . . 5.500 5.155 4.954 5.431 . 0 0 "[ . 1 . 2]" 1
201 1 90 ILE HA 1 91 VAL QG . . 5.440 3.175 2.996 4.036 . 0 0 "[ . 1 . 2]" 1
202 1 90 ILE MG 1 91 VAL HA . . 4.460 3.424 3.208 3.789 . 0 0 "[ . 1 . 2]" 1
203 1 90 ILE MG 1 91 VAL H . . 4.400 2.283 1.858 2.710 . 0 0 "[ . 1 . 2]" 1
204 1 90 ILE MD 1 91 VAL H . . 4.250 4.348 3.657 4.467 0.217 14 0 "[ . 1 . 2]" 1
205 1 92 PRO QB 1 93 GLY QA . . 4.820 4.262 3.716 4.421 . 0 0 "[ . 1 . 2]" 1
206 1 92 PRO QG 1 93 GLY QA . . 5.270 4.826 4.325 5.013 . 0 0 "[ . 1 . 2]" 1
207 1 100 GLY QA 1 101 LYS QB . . 5.150 4.007 3.541 4.296 . 0 0 "[ . 1 . 2]" 1
208 1 101 LYS QB 1 102 ASN HA . . 4.620 4.226 3.774 4.623 0.003 13 0 "[ . 1 . 2]" 1
209 1 110 SER H 1 111 PHE QD . . 6.500 5.192 5.063 5.365 . 0 0 "[ . 1 . 2]" 1
210 1 111 PHE QD 1 112 ASN H . . 4.950 4.345 4.229 4.408 . 0 0 "[ . 1 . 2]" 1
211 1 112 ASN QB 1 113 GLU HA . . 4.840 3.963 3.763 4.575 . 0 0 "[ . 1 . 2]" 1
212 1 113 GLU H 1 114 VAL QG . . 4.270 4.314 4.164 4.396 0.126 11 0 "[ . 1 . 2]" 1
213 1 114 VAL HB 1 115 VAL HA . . 4.830 4.220 4.075 4.330 . 0 0 "[ . 1 . 2]" 1
214 1 114 VAL HA 1 115 VAL QG . . 5.010 4.420 4.404 4.444 . 0 0 "[ . 1 . 2]" 1
215 1 114 VAL HB 1 115 VAL QG . . 4.230 2.966 2.895 3.045 . 0 0 "[ . 1 . 2]" 1
216 1 114 VAL QG 1 115 VAL H . . 3.860 2.851 2.655 3.002 . 0 0 "[ . 1 . 2]" 1
217 1 115 VAL QG 1 116 LYS H . . 4.190 2.183 1.966 2.322 . 0 0 "[ . 1 . 2]" 1
218 1 117 GLU QG 1 118 VAL H . . 5.500 3.985 2.062 4.549 . 0 0 "[ . 1 . 2]" 1
219 1 3 LYS QG 1 5 ASN H . . 5.500 5.085 4.572 5.530 0.030 20 0 "[ . 1 . 2]" 1
220 1 4 LEU QB 1 6 LYS H . . 5.500 4.682 4.375 5.000 . 0 0 "[ . 1 . 2]" 1
221 1 5 ASN QB 1 7 LYS H . . 5.340 5.064 4.523 5.378 0.038 16 0 "[ . 1 . 2]" 1
222 1 6 LYS H 1 8 VAL H . . 5.500 4.177 3.863 4.634 . 0 0 "[ . 1 . 2]" 1
223 1 9 LEU H 1 11 THR H . . 5.500 4.257 3.920 4.611 . 0 0 "[ . 1 . 2]" 1
224 1 15 ALA H 1 17 LYS H . . 5.500 4.467 4.310 4.592 . 0 0 "[ . 1 . 2]" 1
225 1 16 SER HA 1 18 ALA H . . 4.110 4.030 3.798 4.141 0.031 20 0 "[ . 1 . 2]" 1
226 1 18 ALA H 1 20 ASN H . . 5.500 3.812 3.409 4.056 . 0 0 "[ . 1 . 2]" 1
227 1 18 ALA MB 1 20 ASN H . . 4.110 3.241 2.967 3.526 . 0 0 "[ . 1 . 2]" 1
228 1 18 ALA MB 1 20 ASN HA . . 5.500 4.528 4.188 4.781 . 0 0 "[ . 1 . 2]" 1
229 1 19 LYS HA 1 21 VAL H . . 4.600 3.198 3.063 3.371 . 0 0 "[ . 1 . 2]" 1
230 1 25 VAL QG 1 27 GLU H . . 4.500 3.991 3.920 4.143 . 0 0 "[ . 1 . 2]" 1
231 1 28 VAL H 1 30 LYS H . . 4.750 4.296 4.026 4.528 . 0 0 "[ . 1 . 2]" 1
232 1 29 VAL H 1 31 ALA H . . 4.620 4.281 4.024 4.440 . 0 0 "[ . 1 . 2]" 1
233 1 29 VAL QG 1 31 ALA H . . 5.040 4.582 4.156 4.819 . 0 0 "[ . 1 . 2]" 1
234 1 33 ARG H 1 35 GLY H . . 4.380 4.255 3.828 4.417 0.037 18 0 "[ . 1 . 2]" 1
235 1 33 ARG HA 1 35 GLY H . . 5.500 4.706 3.636 4.942 . 0 0 "[ . 1 . 2]" 1
236 1 34 LYS QB 1 36 GLU H . . 5.500 2.646 2.475 2.897 . 0 0 "[ . 1 . 2]" 1
237 1 36 GLU QB 1 38 GLY QA . . 6.500 5.561 5.473 5.650 . 0 0 "[ . 1 . 2]" 1
238 1 36 GLU QB 1 38 GLY H . . 5.260 5.507 5.369 5.682 0.422 13 0 "[ . 1 . 2]" 1
239 1 37 LYS HA 1 39 LEU H . . 5.500 5.411 5.208 5.596 0.096 13 0 "[ . 1 . 2]" 1
240 1 43 ALA HA 1 45 ASP H . . 5.500 3.510 3.389 3.858 . 0 0 "[ . 1 . 2]" 1
241 1 43 ALA MB 1 45 ASP H . . 5.500 2.518 2.213 2.790 . 0 0 "[ . 1 . 2]" 1
242 1 49 ALA HA 1 51 VAL QG . . 4.480 2.683 2.493 3.624 . 0 0 "[ . 1 . 2]" 1
243 1 49 ALA HA 1 51 VAL H . . 5.500 3.325 3.216 3.536 . 0 0 "[ . 1 . 2]" 1
244 1 51 VAL QG 1 53 SER H . . 5.390 4.199 4.015 4.631 . 0 0 "[ . 1 . 2]" 1
245 1 58 LEU H 1 60 GLU H . . 5.100 4.222 3.981 4.430 . 0 0 "[ . 1 . 2]" 1
246 1 59 CYS H 1 61 ASP H . . 5.500 3.709 3.651 3.848 . 0 0 "[ . 1 . 2]" 1
247 1 61 ASP QB 1 63 SER H . . 4.590 4.107 3.901 4.384 . 0 0 "[ . 1 . 2]" 1
248 1 62 HIS H 1 64 VAL QG . . 5.500 4.295 4.114 4.646 . 0 0 "[ . 1 . 2]" 1
249 1 64 VAL HB 1 66 TYR H . . 5.500 5.772 5.415 5.980 0.480 10 0 "[ . 1 . 2]" 1
250 1 64 VAL HB 1 66 TYR QB . . 5.500 5.395 4.865 5.659 0.159 19 0 "[ . 1 . 2]" 1
251 1 64 VAL QG 1 66 TYR QD . . 4.400 3.925 3.378 4.160 . 0 0 "[ . 1 . 2]" 1
252 1 75 LEU H 1 77 ALA H . . 5.500 4.305 3.926 4.531 . 0 0 "[ . 1 . 2]" 1
253 1 85 THR MG 1 87 VAL H . . 5.500 3.825 1.939 5.518 0.018 3 0 "[ . 1 . 2]" 1
254 1 89 PHE HD2 1 91 VAL QG . . 4.400 3.276 2.895 4.227 . 0 0 "[ . 1 . 2]" 1
255 1 111 PHE H 1 113 GLU H . . 4.300 4.160 4.039 4.243 . 0 0 "[ . 1 . 2]" 1
256 1 116 LYS HA 1 118 VAL H . . 5.500 4.456 4.064 4.727 . 0 0 "[ . 1 . 2]" 1
257 1 118 VAL H 1 120 ALA H . . 5.500 3.976 3.708 4.216 . 0 0 "[ . 1 . 2]" 1
258 1 5 ASN HA 1 8 VAL H . . 4.830 3.699 3.451 3.895 . 0 0 "[ . 1 . 2]" 1
259 1 5 ASN HA 1 8 VAL HB . . 4.250 2.938 2.648 3.559 . 0 0 "[ . 1 . 2]" 1
260 1 5 ASN H 1 8 VAL QG . . 5.440 4.123 3.885 4.451 . 0 0 "[ . 1 . 2]" 1
261 1 5 ASN HA 1 8 VAL QG . . 3.900 2.781 2.441 3.260 . 0 0 "[ . 1 . 2]" 1
262 1 5 ASN QB 1 8 VAL HB . . 5.500 4.667 4.203 5.372 . 0 0 "[ . 1 . 2]" 1
263 1 7 LYS HA 1 10 LYS H . . 4.500 3.685 3.508 3.799 . 0 0 "[ . 1 . 2]" 1
264 1 7 LYS HA 1 10 LYS QB . . 5.500 3.527 2.713 4.308 . 0 0 "[ . 1 . 2]" 1
265 1 8 VAL HA 1 11 THR H . . 4.500 3.558 3.421 3.650 . 0 0 "[ . 1 . 2]" 1
266 1 9 LEU HA 1 12 VAL HB . . 5.500 4.308 4.045 4.677 . 0 0 "[ . 1 . 2]" 1
267 1 11 THR MG 1 14 LYS QB . . 4.120 4.060 3.856 4.245 0.125 20 0 "[ . 1 . 2]" 1
268 1 11 THR HA 1 14 LYS QG . . 4.650 3.386 2.729 4.112 . 0 0 "[ . 1 . 2]" 1
269 1 12 VAL HA 1 15 ALA H . . 4.500 3.487 3.362 3.623 . 0 0 "[ . 1 . 2]" 1
270 1 12 VAL HA 1 15 ALA HA . . 5.500 5.461 5.304 5.542 0.042 13 0 "[ . 1 . 2]" 1
271 1 14 LYS HA 1 17 LYS H . . 4.500 3.924 3.665 4.190 . 0 0 "[ . 1 . 2]" 1
272 1 14 LYS HA 1 17 LYS QB . . 5.500 4.004 3.339 4.542 . 0 0 "[ . 1 . 2]" 1
273 1 15 ALA HA 1 18 ALA H . . 4.350 3.238 3.021 3.377 . 0 0 "[ . 1 . 2]" 1
274 1 15 ALA MB 1 18 ALA H . . 4.960 4.186 3.973 4.351 . 0 0 "[ . 1 . 2]" 1
275 1 15 ALA HA 1 18 ALA MB . . 3.510 2.877 2.545 3.009 . 0 0 "[ . 1 . 2]" 1
276 1 25 VAL HA 1 28 VAL HB . . 5.500 4.636 4.466 4.730 . 0 0 "[ . 1 . 2]" 1
277 1 27 GLU HA 1 30 LYS H . . 4.210 3.541 3.397 3.804 . 0 0 "[ . 1 . 2]" 1
278 1 27 GLU HA 1 30 LYS QB . . 5.500 2.608 2.385 2.924 . 0 0 "[ . 1 . 2]" 1
279 1 27 GLU HA 1 30 LYS QG . . 5.500 4.370 3.327 4.939 . 0 0 "[ . 1 . 2]" 1
280 1 28 VAL QG 1 31 ALA H . . 4.660 4.692 4.552 4.777 0.117 7 0 "[ . 1 . 2]" 1
281 1 29 VAL HA 1 32 LEU H . . 4.550 3.397 3.290 3.719 . 0 0 "[ . 1 . 2]" 1
282 1 29 VAL HA 1 32 LEU QD . . 4.210 2.874 2.315 3.916 . 0 0 "[ . 1 . 2]" 1
283 1 30 LYS HA 1 33 ARG H . . 4.500 3.818 3.679 3.910 . 0 0 "[ . 1 . 2]" 1
284 1 31 ALA HA 1 34 LYS H . . 4.500 3.302 3.160 3.698 . 0 0 "[ . 1 . 2]" 1
285 1 43 ALA MB 1 46 ILE H . . 5.500 3.723 3.461 4.135 . 0 0 "[ . 1 . 2]" 1
286 1 50 ASP HA 1 53 SER H . . 4.500 3.476 3.419 3.554 . 0 0 "[ . 1 . 2]" 1
287 1 58 LEU HA 1 61 ASP QB . . 4.360 2.593 2.189 2.851 . 0 0 "[ . 1 . 2]" 1
288 1 58 LEU QB 1 61 ASP QB . . 5.310 4.245 3.840 4.507 . 0 0 "[ . 1 . 2]" 1
289 1 58 LEU HG 1 61 ASP QB . . 5.340 5.412 5.141 5.619 0.279 15 0 "[ . 1 . 2]" 1
290 1 59 CYS HA 1 62 HIS H . . 4.500 3.705 3.600 3.946 . 0 0 "[ . 1 . 2]" 1
291 1 108 LYS HA 1 111 PHE QD . . 4.560 3.222 1.880 3.819 . 0 0 "[ . 1 . 2]" 1
292 1 108 LYS HA 1 111 PHE HB3 . . 4.140 3.485 3.184 3.813 . 0 0 "[ . 1 . 2]" 1
293 1 108 LYS HA 1 111 PHE HB2 . . 4.140 2.147 1.967 2.301 . 0 0 "[ . 1 . 2]" 1
294 1 111 PHE HA 1 114 VAL H . . 4.500 3.747 3.569 4.019 . 0 0 "[ . 1 . 2]" 1
295 1 111 PHE H 1 114 VAL QG . . 5.500 4.492 4.340 4.562 . 0 0 "[ . 1 . 2]" 1
296 1 111 PHE HA 1 114 VAL QG . . 5.500 3.345 2.955 3.538 . 0 0 "[ . 1 . 2]" 1
297 1 111 PHE HA 1 114 VAL HB . . 5.500 3.029 2.874 3.344 . 0 0 "[ . 1 . 2]" 1
298 1 112 ASN HA 1 115 VAL QG . . 4.070 1.868 1.809 1.937 . 0 0 "[ . 1 . 2]" 1
299 1 112 ASN HA 1 115 VAL HB . . 5.500 4.630 4.566 4.710 . 0 0 "[ . 1 . 2]" 1
300 1 115 VAL HA 1 118 VAL HB . . 5.500 4.279 3.209 4.596 . 0 0 "[ . 1 . 2]" 1
301 1 115 VAL HA 1 118 VAL QG . . 5.500 1.998 1.896 2.261 . 0 0 "[ . 1 . 2]" 1
302 1 118 VAL HA 1 121 LEU H . . 4.190 3.525 3.305 3.928 . 0 0 "[ . 1 . 2]" 1
303 1 118 VAL HA 1 121 LEU HG . . 3.990 3.129 2.066 3.998 0.008 6 0 "[ . 1 . 2]" 1
304 1 118 VAL HA 1 121 LEU QD . . 4.120 2.765 1.959 3.773 . 0 0 "[ . 1 . 2]" 1
305 1 11 THR HA 1 15 ALA MB . . 5.500 4.587 4.277 4.884 . 0 0 "[ . 1 . 2]" 1
306 1 15 ALA MB 1 19 LYS H . . 5.330 5.061 4.458 5.362 0.032 3 0 "[ . 1 . 2]" 1
307 1 16 SER HA 1 20 ASN H . . 5.500 3.407 3.115 3.684 . 0 0 "[ . 1 . 2]" 1
308 1 29 VAL HA 1 33 ARG H . . 4.640 4.056 3.841 4.197 . 0 0 "[ . 1 . 2]" 1
309 1 30 LYS HA 1 34 LYS H . . 5.500 4.098 4.000 4.185 . 0 0 "[ . 1 . 2]" 1
310 1 111 PHE QB 1 115 VAL QG . . 4.430 2.853 2.432 3.244 . 0 0 "[ . 1 . 2]" 1
311 1 111 PHE QD 1 115 VAL QG . . 4.370 3.766 3.621 4.106 . 0 0 "[ . 1 . 2]" 1
312 1 15 ALA HA 1 20 ASN H . . 4.760 4.776 4.622 4.920 0.160 3 0 "[ . 1 . 2]" 1
313 1 15 ALA HA 1 20 ASN QB . . 4.830 4.210 3.714 4.794 . 0 0 "[ . 1 . 2]" 1
314 1 15 ALA MB 1 20 ASN QB . . 4.330 2.750 1.990 3.692 . 0 0 "[ . 1 . 2]" 1
315 1 15 ALA MB 1 20 ASN H . . 3.910 3.739 3.194 4.054 0.144 4 0 "[ . 1 . 2]" 1
316 1 15 ALA MB 1 20 ASN HA . . 5.240 5.054 4.694 5.363 0.123 10 0 "[ . 1 . 2]" 1
317 1 16 SER HA 1 21 VAL H . . 5.030 3.914 3.166 4.262 . 0 0 "[ . 1 . 2]" 1
318 1 16 SER QB 1 21 VAL QG . . 3.290 2.830 2.063 3.295 0.005 17 0 "[ . 1 . 2]" 1
319 1 16 SER HA 1 21 VAL QG . . 4.110 2.160 1.887 2.518 . 0 0 "[ . 1 . 2]" 1
320 1 16 SER H 1 21 VAL QG . . 4.530 3.943 2.964 4.171 . 0 0 "[ . 1 . 2]" 1
321 1 16 SER HA 1 21 VAL HB . . 5.350 3.888 3.465 4.493 . 0 0 "[ . 1 . 2]" 1
322 1 16 SER H 1 21 VAL HB . . 5.500 5.195 4.670 5.728 0.228 4 0 "[ . 1 . 2]" 1
323 1 31 ALA HA 1 36 GLU H . . 4.600 3.391 3.043 3.848 . 0 0 "[ . 1 . 2]" 1
324 1 59 CYS HA 1 64 VAL HB . . 4.050 4.362 4.239 4.634 0.584 18 1 "[ . 1 . + 2]" 1
325 1 59 CYS QB 1 64 VAL HB . . 5.500 4.779 4.553 5.294 . 0 0 "[ . 1 . 2]" 1
326 1 59 CYS HA 1 64 VAL QG . . 4.240 3.544 3.273 4.091 . 0 0 "[ . 1 . 2]" 1
327 1 59 CYS QB 1 64 VAL QG . . 4.860 4.527 4.300 5.006 0.146 11 0 "[ . 1 . 2]" 1
328 1 76 GLY QA 1 81 THR MG . . 3.880 3.758 1.898 4.086 0.206 16 0 "[ . 1 . 2]" 1
329 1 58 LEU HG 1 64 VAL QG . . 3.810 4.036 3.931 4.256 0.446 19 0 "[ . 1 . 2]" 1
330 1 58 LEU QD 1 64 VAL HA . . 4.410 4.261 4.078 4.581 0.171 18 0 "[ . 1 . 2]" 1
331 1 58 LEU QD 1 64 VAL HB . . 4.500 2.066 1.914 2.413 . 0 0 "[ . 1 . 2]" 1
332 1 58 LEU QD 1 64 VAL QG . . 3.390 2.087 1.892 2.409 . 0 0 "[ . 1 . 2]" 1
333 1 31 ALA MB 1 38 GLY HA3 . . 5.500 5.549 5.441 5.627 0.127 6 0 "[ . 1 . 2]" 1
334 1 31 ALA MB 1 38 GLY HA2 . . 5.500 5.694 5.626 5.783 0.283 3 0 "[ . 1 . 2]" 1
335 1 58 LEU QD 1 66 TYR H . . 5.440 5.413 5.143 5.538 0.098 19 0 "[ . 1 . 2]" 1
336 1 58 LEU QD 1 66 TYR HA . . 5.220 5.238 4.853 5.517 0.297 18 0 "[ . 1 . 2]" 1
337 1 58 LEU QD 1 66 TYR QB . . 4.510 3.946 3.553 4.492 . 0 0 "[ . 1 . 2]" 1
338 1 58 LEU QD 1 66 TYR QD . . 5.180 2.558 2.091 3.193 . 0 0 "[ . 1 . 2]" 1
339 1 75 LEU MD1 1 86 SER H . . 5.200 4.759 3.820 5.451 0.251 20 0 "[ . 1 . 2]" 1
340 1 98 LYS HA 1 108 LYS QB . . 5.190 5.160 4.296 5.421 0.231 14 0 "[ . 1 . 2]" 1
341 1 42 ILE MD 1 66 TYR QD . . 4.370 3.838 3.529 4.034 . 0 0 "[ . 1 . 2]" 1
342 1 42 ILE MD 1 66 TYR QE . . 4.750 5.023 4.870 5.102 0.352 16 0 "[ . 1 . 2]" 1
343 1 42 ILE MD 1 66 TYR HA . . 5.500 5.173 4.584 5.532 0.032 9 0 "[ . 1 . 2]" 1
344 1 42 ILE QG 1 66 TYR QB . . 5.180 2.570 2.297 3.915 . 0 0 "[ . 1 . 2]" 1
345 1 42 ILE MD 1 66 TYR QB . . 5.000 3.291 2.728 3.587 . 0 0 "[ . 1 . 2]" 1
346 1 44 GLY QA 1 68 PHE HD1 . . 4.050 3.889 3.466 4.737 0.687 1 1 "[+ . 1 . 2]" 1
347 1 90 ILE HB 1 111 PHE QD . . 5.500 4.177 3.687 4.713 . 0 0 "[ . 1 . 2]" 1
348 1 40 VAL H 1 65 PRO QB . . 5.230 4.634 4.121 4.850 . 0 0 "[ . 1 . 2]" 1
349 1 40 VAL H 1 65 PRO QG . . 5.500 4.015 3.429 4.200 . 0 0 "[ . 1 . 2]" 1
350 1 41 VAL H 1 66 TYR QD . . 5.500 5.646 5.421 5.879 0.379 4 0 "[ . 1 . 2]" 1
351 1 41 VAL HA 1 66 TYR HA . . 5.500 4.153 3.982 4.425 . 0 0 "[ . 1 . 2]" 1
352 1 42 ILE H 1 67 ILE H . . 4.870 3.040 2.914 3.257 . 0 0 "[ . 1 . 2]" 1
353 1 44 GLY H 1 69 ILE H . . 4.380 3.324 3.128 3.692 . 0 0 "[ . 1 . 2]" 1
354 1 44 GLY H 1 69 ILE QG . . 4.150 4.354 4.204 4.514 0.364 13 0 "[ . 1 . 2]" 1
355 1 39 LEU HA 1 65 PRO QB . . 4.720 4.541 3.648 4.880 0.160 12 0 "[ . 1 . 2]" 1
356 1 39 LEU QD 1 65 PRO QB . . 4.270 2.787 2.125 2.997 . 0 0 "[ . 1 . 2]" 1
357 1 39 LEU QD 1 65 PRO QG . . 4.020 1.920 1.796 2.079 . 0 0 "[ . 1 . 2]" 1
358 1 40 VAL QG 1 66 TYR HA . . 5.460 3.278 2.980 3.604 . 0 0 "[ . 1 . 2]" 1
359 1 40 VAL HB 1 66 TYR QB . . 5.340 1.998 1.662 2.718 . 0 0 "[ . 1 . 2]" 1
360 1 40 VAL H 1 66 TYR HA . . 4.440 2.657 2.385 2.924 . 0 0 "[ . 1 . 2]" 1
361 1 40 VAL H 1 66 TYR QD . . 5.500 4.165 3.989 4.251 . 0 0 "[ . 1 . 2]" 1
362 1 40 VAL H 1 66 TYR QE . . 5.500 5.997 5.614 6.157 0.657 15 16 "[- ******** ***+** *]" 1
363 1 40 VAL HA 1 66 TYR HA . . 5.330 4.319 4.105 4.613 . 0 0 "[ . 1 . 2]" 1
364 1 40 VAL HB 1 66 TYR HA . . 4.610 2.502 2.008 3.263 . 0 0 "[ . 1 . 2]" 1
365 1 40 VAL QG 1 66 TYR H . . 5.440 4.466 4.092 4.754 . 0 0 "[ . 1 . 2]" 1
366 1 40 VAL QG 1 66 TYR HB2 . . 5.440 3.247 2.520 4.030 . 0 0 "[ . 1 . 2]" 1
367 1 40 VAL QG 1 66 TYR HB3 . . 4.810 2.059 1.928 2.578 . 0 0 "[ . 1 . 2]" 1
368 1 40 VAL QG 1 66 TYR QE . . 4.760 3.215 2.627 3.681 . 0 0 "[ . 1 . 2]" 1
369 1 40 VAL HB 1 66 TYR H . . 5.500 4.171 3.758 4.595 . 0 0 "[ . 1 . 2]" 1
370 1 40 VAL H 1 66 TYR QB . . 5.340 3.751 3.052 4.495 . 0 0 "[ . 1 . 2]" 1
371 1 40 VAL QG 1 66 TYR QD . . 4.380 2.042 1.901 2.339 . 0 0 "[ . 1 . 2]" 1
372 1 41 VAL HA 1 67 ILE H . . 4.330 2.658 2.412 2.942 . 0 0 "[ . 1 . 2]" 1
373 1 42 ILE H 1 68 PHE HA . . 3.780 3.780 3.520 3.929 0.149 4 0 "[ . 1 . 2]" 1
374 1 43 ALA HA 1 69 ILE H . . 3.830 3.375 2.911 3.723 . 0 0 "[ . 1 . 2]" 1
375 1 43 ALA MB 1 69 ILE QG . . 4.180 4.270 3.813 4.608 0.428 13 0 "[ . 1 . 2]" 1
376 1 44 GLY H 1 70 PRO HA . . 4.710 2.905 2.002 3.402 . 0 0 "[ . 1 . 2]" 1
377 1 39 LEU QD 1 66 TYR H . . 4.750 5.004 4.861 5.142 0.392 15 0 "[ . 1 . 2]" 1
378 1 39 LEU QD 1 66 TYR HA . . 4.810 4.203 3.944 4.608 . 0 0 "[ . 1 . 2]" 1
379 1 40 VAL HB 1 67 ILE H . . 4.670 4.221 3.812 4.694 0.024 13 0 "[ . 1 . 2]" 1
380 1 42 ILE H 1 69 ILE H . . 4.570 4.056 3.803 4.232 . 0 0 "[ . 1 . 2]" 1
381 1 43 ALA MB 1 71 SER H . . 4.250 3.718 2.031 4.200 . 0 0 "[ . 1 . 2]" 1
382 1 43 ALA H 1 75 LEU MD1 . . 4.380 4.362 3.287 4.608 0.228 2 0 "[ . 1 . 2]" 1
383 1 43 ALA H 1 75 LEU MD2 . . 4.380 4.457 4.267 4.576 0.196 7 0 "[ . 1 . 2]" 1
384 1 43 ALA MB 1 75 LEU MD1 . . 3.900 2.370 1.753 2.956 . 0 0 "[ . 1 . 2]" 1
385 1 43 ALA MB 1 75 LEU MD2 . . 3.900 2.659 2.009 3.516 . 0 0 "[ . 1 . 2]" 1
386 1 46 ILE HB 1 86 SER QB . . 4.180 3.670 2.599 4.243 0.063 2 0 "[ . 1 . 2]" 1
387 1 46 ILE MG 1 86 SER H . . 4.720 3.932 2.898 4.768 0.048 8 0 "[ . 1 . 2]" 1
388 1 46 ILE MG 1 86 SER QB . . 3.720 1.944 1.848 2.512 . 0 0 "[ . 1 . 2]" 1
389 1 46 ILE HB 1 86 SER HA . . 4.690 3.198 2.432 4.424 . 0 0 "[ . 1 . 2]" 1
390 1 46 ILE QG 1 86 SER HA . . 5.220 2.490 1.916 3.092 . 0 0 "[ . 1 . 2]" 1
391 1 46 ILE MG 1 86 SER HA . . 4.280 2.163 1.889 3.409 . 0 0 "[ . 1 . 2]" 1
392 1 47 TRP H 1 86 SER QB . . 4.700 4.563 3.792 4.815 0.115 2 0 "[ . 1 . 2]" 1
393 1 43 ALA H 1 86 SER HA . . 4.240 4.316 4.087 4.495 0.255 19 0 "[ . 1 . 2]" 1
394 1 43 ALA MB 1 86 SER HA . . 3.580 3.071 2.654 3.615 0.035 13 0 "[ . 1 . 2]" 1
395 1 43 ALA H 1 87 VAL HA . . 4.460 4.188 3.886 4.520 0.060 12 0 "[ . 1 . 2]" 1
396 1 42 ILE MD 1 86 SER QB . . 5.500 5.521 5.271 5.670 0.170 20 0 "[ . 1 . 2]" 1
397 1 42 ILE MD 1 87 VAL HB . . 5.500 3.933 3.407 4.405 . 0 0 "[ . 1 . 2]" 1
398 1 42 ILE MD 1 87 VAL QG . . 4.150 2.631 1.974 3.257 . 0 0 "[ . 1 . 2]" 1
399 1 42 ILE MD 1 87 VAL H . . 5.500 5.522 5.211 5.701 0.201 4 0 "[ . 1 . 2]" 1
400 1 41 VAL H 1 88 VAL H . . 4.020 3.767 3.429 4.102 0.082 4 0 "[ . 1 . 2]" 1
401 1 41 VAL HB 1 88 VAL H . . 5.500 3.443 3.260 3.737 . 0 0 "[ . 1 . 2]" 1
402 1 40 VAL QG 1 88 VAL H . . 4.310 4.193 3.916 4.365 0.055 6 0 "[ . 1 . 2]" 1
403 1 41 VAL H 1 89 PHE HA . . 4.720 2.382 2.043 2.695 . 0 0 "[ . 1 . 2]" 1
404 1 41 VAL HB 1 89 PHE HA . . 5.500 3.914 3.414 4.239 . 0 0 "[ . 1 . 2]" 1
405 1 41 VAL QG 1 89 PHE HA . . 5.220 2.391 1.972 2.791 . 0 0 "[ . 1 . 2]" 1
406 1 67 ILE HB 1 115 VAL QG . . 4.560 4.347 4.149 4.532 . 0 0 "[ . 1 . 2]" 1
407 1 67 ILE H 1 115 VAL QG . . 4.830 4.785 4.434 4.916 0.086 6 0 "[ . 1 . 2]" 1
408 1 40 VAL HA 1 89 PHE HA . . 4.060 2.425 2.058 2.711 . 0 0 "[ . 1 . 2]" 1
409 1 40 VAL MG2 1 89 PHE HA . . 5.040 4.114 3.583 4.497 . 0 0 "[ . 1 . 2]" 1
410 1 40 VAL MG1 1 89 PHE HA . . 5.040 4.000 3.762 4.236 . 0 0 "[ . 1 . 2]" 1
411 1 40 VAL QG 1 89 PHE QB . . 4.850 2.482 1.888 2.820 . 0 0 "[ . 1 . 2]" 1
412 1 66 TYR H 1 115 VAL QG . . 4.930 4.639 4.273 4.884 . 0 0 "[ . 1 . 2]" 1
413 1 66 TYR HA 1 115 VAL QG . . 5.340 3.961 3.350 4.417 . 0 0 "[ . 1 . 2]" 1
414 1 39 LEU H 1 89 PHE HD2 . . 4.980 3.364 2.953 3.842 . 0 0 "[ . 1 . 2]" 1
415 1 39 LEU HB2 1 89 PHE HA . . 5.500 4.872 4.697 5.180 . 0 0 "[ . 1 . 2]" 1
416 1 39 LEU HB3 1 89 PHE HA . . 5.500 5.185 5.045 5.440 . 0 0 "[ . 1 . 2]" 1
417 1 40 VAL HA 1 90 ILE H . . 4.440 3.679 3.396 3.807 . 0 0 "[ . 1 . 2]" 1
418 1 40 VAL H 1 90 ILE HB . . 5.500 5.692 5.555 5.828 0.328 9 0 "[ . 1 . 2]" 1
419 1 40 VAL HA 1 90 ILE MD . . 4.920 4.552 4.201 5.066 0.146 4 0 "[ . 1 . 2]" 1
420 1 65 PRO HA 1 115 VAL QG . . 4.290 4.450 4.025 4.650 0.360 10 0 "[ . 1 . 2]" 1
421 1 65 PRO QB 1 115 VAL QG . . 4.430 2.413 2.153 2.599 . 0 0 "[ . 1 . 2]" 1
422 1 38 GLY H 1 89 PHE HD2 . . 5.240 2.109 1.997 2.232 . 0 0 "[ . 1 . 2]" 1
423 1 38 GLY HA2 1 89 PHE HD2 . . 4.540 4.779 4.637 4.906 0.366 6 0 "[ . 1 . 2]" 1
424 1 38 GLY HA3 1 89 PHE HD2 . . 5.180 3.851 3.627 4.070 . 0 0 "[ . 1 . 2]" 1
425 1 39 LEU H 1 90 ILE HB . . 5.010 2.673 2.401 2.792 . 0 0 "[ . 1 . 2]" 1
426 1 39 LEU H 1 90 ILE MD . . 5.040 4.243 4.112 4.685 . 0 0 "[ . 1 . 2]" 1
427 1 39 LEU HA 1 90 ILE HB . . 4.400 4.719 4.644 4.815 0.415 9 0 "[ . 1 . 2]" 1
428 1 39 LEU HB2 1 90 ILE HB . . 5.500 2.173 2.033 2.380 . 0 0 "[ . 1 . 2]" 1
429 1 39 LEU HB3 1 90 ILE HB . . 5.500 3.812 3.657 3.939 . 0 0 "[ . 1 . 2]" 1
430 1 39 LEU MD1 1 90 ILE HB . . 4.710 4.822 4.656 4.992 0.282 1 0 "[ . 1 . 2]" 1
431 1 39 LEU MD2 1 90 ILE HB . . 4.710 2.834 2.454 3.127 . 0 0 "[ . 1 . 2]" 1
432 1 39 LEU H 1 90 ILE H . . 4.350 2.894 2.606 3.119 . 0 0 "[ . 1 . 2]" 1
433 1 39 LEU QB 1 90 ILE H . . 4.390 3.076 2.902 3.354 . 0 0 "[ . 1 . 2]" 1
434 1 39 LEU QB 1 90 ILE MD . . 4.590 3.143 2.928 3.963 . 0 0 "[ . 1 . 2]" 1
435 1 39 LEU H 1 90 ILE MG . . 4.950 3.170 2.895 3.737 . 0 0 "[ . 1 . 2]" 1
436 1 38 GLY H 1 90 ILE HB . . 5.500 5.427 5.020 5.594 0.094 19 0 "[ . 1 . 2]" 1
437 1 38 GLY QA 1 90 ILE HB . . 5.340 4.158 3.770 4.303 . 0 0 "[ . 1 . 2]" 1
438 1 38 GLY QA 1 90 ILE MD . . 5.500 5.562 5.463 5.719 0.219 4 0 "[ . 1 . 2]" 1
439 1 38 GLY QA 1 90 ILE MG . . 5.110 3.392 2.998 4.055 . 0 0 "[ . 1 . 2]" 1
440 1 39 LEU H 1 91 VAL QG . . 5.500 4.486 4.286 5.323 . 0 0 "[ . 1 . 2]" 1
441 1 39 LEU H 1 91 VAL HA . . 5.040 4.138 3.932 4.315 . 0 0 "[ . 1 . 2]" 1
442 1 38 GLY H 1 91 VAL HA . . 4.310 3.251 2.907 3.559 . 0 0 "[ . 1 . 2]" 1
443 1 38 GLY QA 1 91 VAL HA . . 4.000 2.865 2.552 3.032 . 0 0 "[ . 1 . 2]" 1
444 1 38 GLY QA 1 91 VAL HB . . 5.340 5.475 4.847 5.664 0.324 19 0 "[ . 1 . 2]" 1
445 1 38 GLY QA 1 91 VAL QG . . 6.090 3.554 3.275 4.222 . 0 0 "[ . 1 . 2]" 1
446 1 66 TYR H 1 119 GLN QG . . 4.350 4.178 2.999 4.437 0.087 19 0 "[ . 1 . 2]" 1
447 1 37 LYS HA 1 91 VAL HA . . 4.070 4.177 3.790 4.351 0.281 19 0 "[ . 1 . 2]" 1
448 1 37 LYS QB 1 91 VAL QG . . 4.840 4.135 3.674 4.836 . 0 0 "[ . 1 . 2]" 1
449 1 37 LYS QG 1 91 VAL QG . . 4.550 4.576 4.025 4.856 0.306 16 0 "[ . 1 . 2]" 1
450 1 21 VAL QG 1 78 ALA MB . . 3.400 3.359 2.819 3.572 0.172 19 0 "[ . 1 . 2]" 1
451 1 21 VAL QG 1 79 GLY QA . . 4.880 3.739 2.175 4.459 . 0 0 "[ . 1 . 2]" 1
452 1 31 ALA MB 1 91 VAL QG . . 4.540 2.608 2.219 2.924 . 0 0 "[ . 1 . 2]" 1
453 1 25 VAL HA 1 87 VAL HB . . 3.760 3.888 3.783 3.993 0.233 15 0 "[ . 1 . 2]" 1
454 1 25 VAL HB 1 87 VAL HB . . 5.500 5.096 4.835 5.609 0.109 17 0 "[ . 1 . 2]" 1
455 1 24 GLY H 1 88 VAL QG . . 4.600 4.092 3.030 4.598 . 0 0 "[ . 1 . 2]" 1
456 1 24 GLY H 1 88 VAL HB . . 5.500 4.418 3.818 5.626 0.126 4 0 "[ . 1 . 2]" 1
457 1 23 ARG QB 1 88 VAL HA . . 4.790 3.410 2.952 3.824 . 0 0 "[ . 1 . 2]" 1
458 1 23 ARG HA 1 88 VAL QG . . 3.580 2.877 2.166 3.287 . 0 0 "[ . 1 . 2]" 1
459 1 23 ARG H 1 88 VAL HA . . 4.560 4.687 4.574 4.833 0.273 4 0 "[ . 1 . 2]" 1
460 1 23 ARG QG 1 88 VAL HA . . 4.700 3.245 2.794 3.686 . 0 0 "[ . 1 . 2]" 1
461 1 23 ARG QG 1 88 VAL QG . . 3.230 1.937 1.766 2.088 . 0 0 "[ . 1 . 2]" 1
462 1 23 ARG QD 1 88 VAL QG . . 3.810 3.053 2.175 3.537 . 0 0 "[ . 1 . 2]" 1
463 1 13 LYS QB 1 78 ALA HA . . 4.740 3.555 2.427 4.744 0.004 9 0 "[ . 1 . 2]" 1
464 1 13 LYS HA 1 78 ALA MB . . 4.300 3.402 2.657 3.727 . 0 0 "[ . 1 . 2]" 1
465 1 13 LYS H 1 78 ALA MB . . 3.970 3.959 3.677 4.078 0.108 7 0 "[ . 1 . 2]" 1
466 1 13 LYS QG 1 78 ALA H . . 5.160 4.822 2.978 5.338 0.178 18 0 "[ . 1 . 2]" 1
467 1 13 LYS QG 1 78 ALA HA . . 4.420 3.656 2.649 4.181 . 0 0 "[ . 1 . 2]" 1
468 1 24 GLY H 1 89 PHE H . . 5.500 4.440 4.049 4.862 . 0 0 "[ . 1 . 2]" 1
469 1 12 VAL QG 1 78 ALA H . . 4.950 3.812 3.579 4.150 . 0 0 "[ . 1 . 2]" 1
470 1 12 VAL HB 1 78 ALA MB . . 3.880 3.948 3.728 4.110 0.230 12 0 "[ . 1 . 2]" 1
471 1 12 VAL MG2 1 78 ALA MB . . 3.700 2.080 1.877 2.316 . 0 0 "[ . 1 . 2]" 1
472 1 12 VAL MG1 1 78 ALA MB . . 3.670 1.888 1.807 1.998 . 0 0 "[ . 1 . 2]" 1
473 1 12 VAL QG 1 78 ALA HA . . 3.900 2.848 2.237 3.626 . 0 0 "[ . 1 . 2]" 1
474 1 23 ARG HA 1 89 PHE H . . 4.950 3.177 2.820 3.423 . 0 0 "[ . 1 . 2]" 1
475 1 23 ARG QG 1 89 PHE H . . 5.340 4.026 3.657 4.339 . 0 0 "[ . 1 . 2]" 1
476 1 22 LYS H 1 89 PHE H . . 3.970 3.489 3.228 3.719 . 0 0 "[ . 1 . 2]" 1
477 1 21 VAL HA 1 90 ILE HA . . 4.190 2.124 1.971 2.321 . 0 0 "[ . 1 . 2]" 1
478 1 21 VAL HB 1 90 ILE HB . . 5.290 5.261 4.957 5.405 0.115 4 0 "[ . 1 . 2]" 1
479 1 21 VAL QG 1 90 ILE MD . . 3.790 2.021 1.822 2.524 . 0 0 "[ . 1 . 2]" 1
480 1 22 LYS QD 1 91 VAL QG . . 5.350 3.456 2.400 4.494 . 0 0 "[ . 1 . 2]" 1
481 1 21 VAL HA 1 91 VAL H . . 4.670 2.246 2.024 2.518 . 0 0 "[ . 1 . 2]" 1
482 1 20 ASN QB 1 91 VAL H . . 4.380 3.812 3.342 4.163 . 0 0 "[ . 1 . 2]" 1
483 1 20 ASN HA 1 91 VAL MG2 . . 5.500 4.030 3.672 4.745 . 0 0 "[ . 1 . 2]" 1
484 1 20 ASN HA 1 91 VAL MG1 . . 5.500 5.034 2.247 5.542 0.042 9 0 "[ . 1 . 2]" 1
485 1 20 ASN HA 1 91 VAL HB . . 5.500 4.070 3.676 5.005 . 0 0 "[ . 1 . 2]" 1
486 1 20 ASN QB 1 91 VAL HA . . 5.240 5.112 4.671 5.323 0.083 3 0 "[ . 1 . 2]" 1
487 1 20 ASN QB 1 91 VAL QG . . 4.240 4.178 3.361 4.384 0.144 2 0 "[ . 1 . 2]" 1
488 1 20 ASN QB 1 92 PRO HA . . 4.770 2.745 1.937 3.793 . 0 0 "[ . 1 . 2]" 1
489 1 39 LEU HB2 1 111 PHE QD . . 5.500 4.042 3.252 4.802 . 0 0 "[ . 1 . 2]" 1
490 1 39 LEU HB3 1 111 PHE QD . . 5.500 4.896 4.346 5.323 . 0 0 "[ . 1 . 2]" 1
491 1 39 LEU MD2 1 111 PHE QD . . 5.500 2.628 1.957 3.720 . 0 0 "[ . 1 . 2]" 1
492 1 39 LEU MD1 1 111 PHE QD . . 5.500 4.612 4.123 5.238 . 0 0 "[ . 1 . 2]" 1
493 1 20 ASN QB 1 93 GLY H . . 4.150 3.395 2.362 4.359 0.209 14 0 "[ . 1 . 2]" 1
494 1 12 VAL HA 1 90 ILE QG . . 4.180 3.517 3.174 4.095 . 0 0 "[ . 1 . 2]" 1
495 1 12 VAL HA 1 90 ILE MD . . 5.000 4.211 3.810 4.678 . 0 0 "[ . 1 . 2]" 1
496 1 12 VAL QG 1 90 ILE MD . . 3.720 2.126 1.885 2.731 . 0 0 "[ . 1 . 2]" 1
497 1 15 ALA H 1 103 LYS QG . . 5.290 5.348 5.224 5.430 0.140 1 0 "[ . 1 . 2]" 1
498 1 15 ALA MB 1 103 LYS QG . . 4.490 4.408 3.864 4.632 0.142 6 0 "[ . 1 . 2]" 1
499 1 15 ALA H 1 107 TYR QD . . 4.050 3.772 3.276 4.099 0.049 17 0 "[ . 1 . 2]" 1
500 1 14 LYS H 1 107 TYR QD . . 5.260 5.333 5.256 5.424 0.164 12 0 "[ . 1 . 2]" 1
501 1 14 LYS QB 1 107 TYR QB . . 5.290 4.697 4.029 5.298 0.008 20 0 "[ . 1 . 2]" 1
502 1 11 THR HA 1 107 TYR QB . . 5.340 4.610 3.803 5.325 . 0 0 "[ . 1 . 2]" 1
503 1 11 THR MG 1 107 TYR QB . . 4.430 2.730 1.895 3.542 . 0 0 "[ . 1 . 2]" 1
504 1 11 THR MG 1 108 LYS HA . . 4.020 4.095 3.857 4.221 0.201 15 0 "[ . 1 . 2]" 1
505 1 11 THR H 1 111 PHE QD . . 5.420 5.523 5.245 5.844 0.424 8 0 "[ . 1 . 2]" 1
506 1 11 THR MG 1 111 PHE HA . . 3.880 3.981 3.806 4.151 0.271 5 0 "[ . 1 . 2]" 1
507 1 11 THR MG 1 111 PHE HB3 . . 4.580 4.454 4.203 4.709 0.129 19 0 "[ . 1 . 2]" 1
508 1 11 THR MG 1 111 PHE HB2 . . 4.580 3.503 3.078 4.072 . 0 0 "[ . 1 . 2]" 1
509 1 11 THR MG 1 111 PHE QD . . 3.720 2.782 2.579 2.989 . 0 0 "[ . 1 . 2]" 1
510 1 40 VAL H 1 67 ILE H . . 5.000 4.769 4.448 5.035 0.035 1 0 "[ . 1 . 2]" 1
511 1 42 ILE HA 1 87 VAL HA . . 4.000 3.475 3.167 3.893 . 0 0 "[ . 1 . 2]" 1
512 1 22 LYS H 1 90 ILE HA . . 5.000 3.104 2.846 3.529 . 0 0 "[ . 1 . 2]" 1
513 1 24 GLY H 1 88 VAL HA . . 5.000 2.987 2.562 3.281 . 0 0 "[ . 1 . 2]" 1
514 1 41 VAL MG1 1 90 ILE H . . 5.500 5.640 5.523 5.800 0.300 1 0 "[ . 1 . 2]" 1
515 1 5 ASN QB 1 69 ILE MD . . 5.500 4.401 1.877 5.460 . 0 0 "[ . 1 . 2]" 1
516 1 8 VAL HB 1 69 ILE MD . . 5.500 3.797 3.113 5.508 0.008 13 0 "[ . 1 . 2]" 1
517 1 8 VAL HB 1 114 VAL MG2 . . 5.500 4.650 4.243 5.469 . 0 0 "[ . 1 . 2]" 1
518 1 8 VAL H 1 114 VAL QG . . 5.500 3.499 2.956 4.346 . 0 0 "[ . 1 . 2]" 1
519 1 11 THR MG 1 114 VAL QG . . 5.500 5.032 4.647 5.160 . 0 0 "[ . 1 . 2]" 1
520 1 15 ALA MB 1 90 ILE MG . . 5.500 3.530 3.002 3.973 . 0 0 "[ . 1 . 2]" 1
521 1 13 LYS QB 1 78 ALA MB . . 5.500 3.838 3.400 4.144 . 0 0 "[ . 1 . 2]" 1
522 1 31 ALA MB 1 89 PHE QB . . 5.500 4.588 4.371 4.784 . 0 0 "[ . 1 . 2]" 1
523 1 43 ALA H 1 86 SER QB . . 5.500 5.117 4.711 5.506 0.006 8 0 "[ . 1 . 2]" 1
524 1 65 PRO HA 1 118 VAL MG2 . . 5.500 5.603 4.871 5.766 0.266 18 0 "[ . 1 . 2]" 1
525 1 66 TYR H 1 118 VAL MG1 . . 5.500 4.230 3.635 5.812 0.312 12 0 "[ . 1 . 2]" 1
526 1 67 ILE H 1 118 VAL MG2 . . 5.500 4.733 4.339 5.218 . 0 0 "[ . 1 . 2]" 1
527 1 67 ILE HB 1 118 VAL MG2 . . 5.500 4.987 4.149 5.560 0.060 19 0 "[ . 1 . 2]" 1
528 1 67 ILE MD 1 118 VAL MG2 . . 5.500 4.471 3.100 5.341 . 0 0 "[ . 1 . 2]" 1
529 1 75 LEU QD 1 87 VAL H . . 5.500 4.817 4.432 5.164 . 0 0 "[ . 1 . 2]" 1
530 1 75 LEU QD 1 87 VAL HA . . 5.500 4.705 4.423 5.056 . 0 0 "[ . 1 . 2]" 1
531 1 76 GLY H 1 85 THR H . . 5.500 5.427 3.883 5.710 0.210 4 0 "[ . 1 . 2]" 1
532 1 39 LEU MD1 1 67 ILE MD . . 5.500 3.162 2.817 3.746 . 0 0 "[ . 1 . 2]" 1
533 1 39 LEU MD1 1 67 ILE QG . . 5.500 4.534 3.896 5.322 . 0 0 "[ . 1 . 2]" 1
534 1 23 ARG H 1 85 THR MG . . 5.500 4.901 4.295 5.647 0.147 14 0 "[ . 1 . 2]" 1
535 1 23 ARG HA 1 85 THR MG . . 5.500 3.872 3.052 4.465 . 0 0 "[ . 1 . 2]" 1
536 1 23 ARG QB 1 85 THR MG . . 5.500 2.003 1.796 2.443 . 0 0 "[ . 1 . 2]" 1
537 1 24 GLY H 1 85 THR MG . . 5.500 3.925 3.157 5.178 . 0 0 "[ . 1 . 2]" 1
538 1 3 LYS H 1 3 LYS QB . . 3.540 2.522 2.235 2.676 . 0 0 "[ . 1 . 2]" 1
539 1 3 LYS HA 1 3 LYS QG . . 3.970 3.107 2.344 3.407 . 0 0 "[ . 1 . 2]" 1
540 1 4 LEU H 1 4 LEU QB . . 3.690 2.217 2.133 2.441 . 0 0 "[ . 1 . 2]" 1
541 1 4 LEU H 1 4 LEU MD1 . . 4.970 2.927 1.907 4.356 . 0 0 "[ . 1 . 2]" 1
542 1 4 LEU H 1 4 LEU MD2 . . 4.970 3.744 3.307 3.997 . 0 0 "[ . 1 . 2]" 1
543 1 4 LEU HA 1 4 LEU HG . . 3.050 2.681 2.450 3.051 0.001 15 0 "[ . 1 . 2]" 1
544 1 4 LEU HA 1 4 LEU QD . . 3.250 2.511 1.980 3.240 . 0 0 "[ . 1 . 2]" 1
545 1 4 LEU H 1 4 LEU HG . . 5.500 3.785 2.233 4.482 . 0 0 "[ . 1 . 2]" 1
546 1 6 LYS H 1 6 LYS QB . . 3.440 2.449 2.129 2.632 . 0 0 "[ . 1 . 2]" 1
547 1 7 LYS H 1 7 LYS QB . . 3.860 2.259 2.038 2.521 . 0 0 "[ . 1 . 2]" 1
548 1 8 VAL H 1 8 VAL HB . . 3.970 2.579 2.475 2.697 . 0 0 "[ . 1 . 2]" 1
549 1 8 VAL H 1 8 VAL QG . . 3.720 2.133 1.997 2.211 . 0 0 "[ . 1 . 2]" 1
550 1 9 LEU H 1 9 LEU MD1 . . 5.500 4.035 3.771 4.252 . 0 0 "[ . 1 . 2]" 1
551 1 9 LEU H 1 9 LEU MD2 . . 5.500 4.120 2.628 4.296 . 0 0 "[ . 1 . 2]" 1
552 1 10 LYS H 1 10 LYS QB . . 3.280 2.593 2.418 2.650 . 0 0 "[ . 1 . 2]" 1
553 1 10 LYS H 1 10 LYS QG . . 3.880 1.997 1.883 2.316 . 0 0 "[ . 1 . 2]" 1
554 1 11 THR HA 1 11 THR MG . . 3.700 2.346 2.154 2.456 . 0 0 "[ . 1 . 2]" 1
555 1 12 VAL H 1 12 VAL QG . . 3.520 2.149 1.919 2.362 . 0 0 "[ . 1 . 2]" 1
556 1 12 VAL H 1 12 VAL HB . . 3.960 2.481 2.355 2.632 . 0 0 "[ . 1 . 2]" 1
557 1 12 VAL HA 1 12 VAL QG . . 2.770 2.254 2.063 2.326 . 0 0 "[ . 1 . 2]" 1
558 1 13 LYS H 1 13 LYS QG . . 4.150 3.870 2.972 4.031 . 0 0 "[ . 1 . 2]" 1
559 1 13 LYS H 1 13 LYS QB . . 3.550 2.227 2.127 2.254 . 0 0 "[ . 1 . 2]" 1
560 1 13 LYS HA 1 13 LYS QG . . 3.920 2.505 2.164 2.580 . 0 0 "[ . 1 . 2]" 1
561 1 15 ALA H 1 15 ALA MB . . 3.400 2.074 2.024 2.221 . 0 0 "[ . 1 . 2]" 1
562 1 16 SER H 1 16 SER QB . . 3.580 2.216 2.061 2.388 . 0 0 "[ . 1 . 2]" 1
563 1 17 LYS H 1 17 LYS QB . . 3.540 2.330 2.172 2.575 . 0 0 "[ . 1 . 2]" 1
564 1 17 LYS H 1 17 LYS QG . . 3.980 3.141 2.008 3.978 . 0 0 "[ . 1 . 2]" 1
565 1 18 ALA H 1 18 ALA MB . . 3.580 2.229 2.067 2.310 . 0 0 "[ . 1 . 2]" 1
566 1 19 LYS H 1 19 LYS QG . . 4.300 3.590 2.544 3.956 . 0 0 "[ . 1 . 2]" 1
567 1 20 ASN H 1 20 ASN HB2 . . 4.210 2.985 2.278 3.767 . 0 0 "[ . 1 . 2]" 1
568 1 20 ASN H 1 20 ASN HB3 . . 4.210 3.273 2.357 3.779 . 0 0 "[ . 1 . 2]" 1
569 1 21 VAL HA 1 21 VAL QG . . 3.330 2.254 2.151 2.365 . 0 0 "[ . 1 . 2]" 1
570 1 21 VAL H 1 21 VAL HB . . 3.950 3.209 2.722 3.858 . 0 0 "[ . 1 . 2]" 1
571 1 22 LYS H 1 22 LYS QG . . 4.140 3.155 2.582 3.505 . 0 0 "[ . 1 . 2]" 1
572 1 22 LYS HA 1 22 LYS QD . . 4.070 2.665 1.981 4.090 0.020 19 0 "[ . 1 . 2]" 1
573 1 22 LYS H 1 22 LYS QD . . 5.500 4.325 3.631 4.796 . 0 0 "[ . 1 . 2]" 1
574 1 23 ARG H 1 23 ARG QB . . 3.670 2.781 2.641 2.909 . 0 0 "[ . 1 . 2]" 1
575 1 23 ARG QB 1 23 ARG QD . . 3.240 2.165 1.919 2.583 . 0 0 "[ . 1 . 2]" 1
576 1 23 ARG HA 1 23 ARG QG . . 3.980 2.590 2.364 2.707 . 0 0 "[ . 1 . 2]" 1
577 1 23 ARG HA 1 23 ARG QD . . 4.070 4.015 3.694 4.184 0.114 16 0 "[ . 1 . 2]" 1
578 1 25 VAL H 1 25 VAL QG . . 3.610 1.941 1.824 2.048 . 0 0 "[ . 1 . 2]" 1
579 1 26 LYS H 1 26 LYS QB . . 3.570 2.126 2.040 2.239 . 0 0 "[ . 1 . 2]" 1
580 1 28 VAL H 1 28 VAL QG . . 3.510 1.819 1.756 1.874 . 0 0 "[ . 1 . 2]" 1
581 1 28 VAL H 1 28 VAL HB . . 3.930 3.610 3.601 3.616 . 0 0 "[ . 1 . 2]" 1
582 1 29 VAL H 1 29 VAL QG . . 3.820 2.245 2.038 2.375 . 0 0 "[ . 1 . 2]" 1
583 1 29 VAL H 1 29 VAL HB . . 3.910 2.482 2.425 2.547 . 0 0 "[ . 1 . 2]" 1
584 1 29 VAL HA 1 29 VAL QG . . 3.310 2.129 2.096 2.222 . 0 0 "[ . 1 . 2]" 1
585 1 30 LYS H 1 30 LYS QB . . 3.360 2.195 2.103 2.249 . 0 0 "[ . 1 . 2]" 1
586 1 31 ALA H 1 31 ALA MB . . 3.050 2.198 2.031 2.248 . 0 0 "[ . 1 . 2]" 1
587 1 31 ALA H 1 31 ALA HA . . 3.000 2.838 2.778 2.858 . 0 0 "[ . 1 . 2]" 1
588 1 32 LEU H 1 32 LEU HB2 . . 3.770 2.776 2.689 2.929 . 0 0 "[ . 1 . 2]" 1
589 1 32 LEU H 1 32 LEU HB3 . . 3.770 2.263 2.152 2.331 . 0 0 "[ . 1 . 2]" 1
590 1 32 LEU H 1 32 LEU HG . . 5.500 4.477 4.427 4.618 . 0 0 "[ . 1 . 2]" 1
591 1 33 ARG HA 1 33 ARG QD . . 4.800 3.401 1.974 4.560 . 0 0 "[ . 1 . 2]" 1
592 1 33 ARG QB 1 33 ARG QD . . 3.420 2.161 1.944 2.456 . 0 0 "[ . 1 . 2]" 1
593 1 33 ARG H 1 33 ARG QB . . 3.200 2.209 2.049 2.607 . 0 0 "[ . 1 . 2]" 1
594 1 34 LYS H 1 34 LYS QB . . 3.470 2.196 2.096 2.331 . 0 0 "[ . 1 . 2]" 1
595 1 34 LYS HA 1 34 LYS QB . . 2.730 2.475 2.412 2.519 . 0 0 "[ . 1 . 2]" 1
596 1 36 GLU H 1 36 GLU QB . . 3.520 2.761 2.659 3.071 . 0 0 "[ . 1 . 2]" 1
597 1 36 GLU H 1 36 GLU QG . . 3.910 2.134 1.934 2.421 . 0 0 "[ . 1 . 2]" 1
598 1 37 LYS H 1 37 LYS QB . . 3.430 2.299 2.079 2.588 . 0 0 "[ . 1 . 2]" 1
599 1 37 LYS H 1 37 LYS QG . . 3.910 3.278 1.931 4.033 0.123 19 0 "[ . 1 . 2]" 1
600 1 37 LYS HA 1 37 LYS QG . . 3.930 3.001 2.305 3.410 . 0 0 "[ . 1 . 2]" 1
601 1 39 LEU H 1 39 LEU HG . . 5.230 4.398 4.258 4.522 . 0 0 "[ . 1 . 2]" 1
602 1 39 LEU H 1 39 LEU QB . . 3.420 2.454 2.397 2.514 . 0 0 "[ . 1 . 2]" 1
603 1 39 LEU HA 1 39 LEU QD . . 3.600 1.919 1.885 2.001 . 0 0 "[ . 1 . 2]" 1
604 1 39 LEU H 1 39 LEU MD1 . . 5.330 3.609 3.456 3.788 . 0 0 "[ . 1 . 2]" 1
605 1 39 LEU H 1 39 LEU MD2 . . 5.330 2.490 2.330 2.682 . 0 0 "[ . 1 . 2]" 1
606 1 40 VAL H 1 40 VAL HB . . 4.070 2.464 2.331 2.548 . 0 0 "[ . 1 . 2]" 1
607 1 40 VAL H 1 40 VAL QG . . 4.250 2.555 2.293 2.777 . 0 0 "[ . 1 . 2]" 1
608 1 41 VAL H 1 41 VAL MG1 . . 4.220 3.878 3.808 3.927 . 0 0 "[ . 1 . 2]" 1
609 1 41 VAL H 1 41 VAL MG2 . . 4.220 2.422 2.138 2.818 . 0 0 "[ . 1 . 2]" 1
610 1 42 ILE H 1 42 ILE MG . . 4.700 3.860 3.593 3.915 . 0 0 "[ . 1 . 2]" 1
611 1 42 ILE QG 1 42 ILE MG . . 3.270 2.327 2.121 2.378 . 0 0 "[ . 1 . 2]" 1
612 1 46 ILE H 1 46 ILE MG . . 4.790 3.902 3.850 3.981 . 0 0 "[ . 1 . 2]" 1
613 1 46 ILE H 1 46 ILE QG . . 4.740 3.099 2.857 3.276 . 0 0 "[ . 1 . 2]" 1
614 1 46 ILE H 1 46 ILE HB . . 4.190 2.827 2.715 2.963 . 0 0 "[ . 1 . 2]" 1
615 1 52 ILE H 1 52 ILE QG . . 4.550 2.022 1.934 2.192 . 0 0 "[ . 1 . 2]" 1
616 1 57 VAL H 1 57 VAL HB . . 4.120 2.396 2.371 2.437 . 0 0 "[ . 1 . 2]" 1
617 1 57 VAL H 1 57 VAL MG1 . . 4.500 2.325 2.251 2.367 . 0 0 "[ . 1 . 2]" 1
618 1 57 VAL H 1 57 VAL MG2 . . 4.500 3.734 3.723 3.749 . 0 0 "[ . 1 . 2]" 1
619 1 58 LEU H 1 58 LEU QB . . 3.750 2.101 2.056 2.176 . 0 0 "[ . 1 . 2]" 1
620 1 58 LEU H 1 58 LEU QD . . 4.410 3.311 3.186 3.393 . 0 0 "[ . 1 . 2]" 1
621 1 58 LEU HA 1 58 LEU QD . . 3.950 3.079 2.920 3.185 . 0 0 "[ . 1 . 2]" 1
622 1 58 LEU H 1 58 LEU HG . . 3.380 3.275 3.046 3.436 0.056 15 0 "[ . 1 . 2]" 1
623 1 63 SER H 1 63 SER QB . . 3.770 3.094 3.046 3.116 . 0 0 "[ . 1 . 2]" 1
624 1 64 VAL H 1 64 VAL MG1 . . 4.740 3.980 3.918 4.001 . 0 0 "[ . 1 . 2]" 1
625 1 64 VAL H 1 64 VAL MG2 . . 4.740 2.855 2.642 3.165 . 0 0 "[ . 1 . 2]" 1
626 1 64 VAL H 1 64 VAL HB . . 3.950 2.968 2.865 3.015 . 0 0 "[ . 1 . 2]" 1
627 1 66 TYR H 1 66 TYR QE . . 5.310 3.844 3.749 4.001 . 0 0 "[ . 1 . 2]" 1
628 1 66 TYR H 1 66 TYR QD . . 4.260 2.555 2.345 2.774 . 0 0 "[ . 1 . 2]" 1
629 1 66 TYR HA 1 66 TYR QE . . 5.280 5.329 4.973 5.551 0.271 13 0 "[ . 1 . 2]" 1
630 1 67 ILE H 1 67 ILE MD . . 4.200 2.482 2.288 3.400 . 0 0 "[ . 1 . 2]" 1
631 1 67 ILE H 1 67 ILE MG . . 4.090 3.926 3.859 3.978 . 0 0 "[ . 1 . 2]" 1
632 1 68 PHE HA 1 68 PHE HD1 . . 4.630 2.762 2.063 3.740 . 0 0 "[ . 1 . 2]" 1
633 1 68 PHE H 1 68 PHE HD1 . . 5.500 4.824 4.411 5.087 . 0 0 "[ . 1 . 2]" 1
634 1 69 ILE H 1 69 ILE MD . . 5.230 3.483 2.436 5.076 . 0 0 "[ . 1 . 2]" 1
635 1 69 ILE HB 1 69 ILE MD . . 3.720 2.739 2.111 3.183 . 0 0 "[ . 1 . 2]" 1
636 1 69 ILE HA 1 69 ILE MD . . 4.420 3.733 3.191 4.180 . 0 0 "[ . 1 . 2]" 1
637 1 75 LEU HA 1 75 LEU MD1 . . 4.530 3.146 1.835 3.962 . 0 0 "[ . 1 . 2]" 1
638 1 75 LEU HA 1 75 LEU MD2 . . 4.530 2.987 2.088 3.996 . 0 0 "[ . 1 . 2]" 1
639 1 85 THR H 1 85 THR MG . . 3.920 3.393 1.935 3.932 0.012 8 0 "[ . 1 . 2]" 1
640 1 88 VAL H 1 88 VAL MG1 . . 4.430 2.181 1.876 3.768 . 0 0 "[ . 1 . 2]" 1
641 1 88 VAL H 1 88 VAL MG2 . . 4.430 3.456 2.306 3.841 . 0 0 "[ . 1 . 2]" 1
642 1 89 PHE HA 1 89 PHE HD2 . . 4.190 4.037 3.713 4.229 0.039 17 0 "[ . 1 . 2]" 1
643 1 90 ILE H 1 90 ILE MD . . 4.000 2.272 1.984 2.690 . 0 0 "[ . 1 . 2]" 1
644 1 90 ILE H 1 90 ILE MG . . 4.240 3.676 3.605 3.809 . 0 0 "[ . 1 . 2]" 1
645 1 90 ILE HA 1 90 ILE MG . . 3.660 2.513 2.204 2.614 . 0 0 "[ . 1 . 2]" 1
646 1 90 ILE HA 1 90 ILE QG . . 3.100 2.397 2.297 3.152 0.052 4 0 "[ . 1 . 2]" 1
647 1 91 VAL H 1 91 VAL HB . . 4.190 3.170 2.723 3.314 . 0 0 "[ . 1 . 2]" 1
648 1 91 VAL H 1 91 VAL MG2 . . 4.570 2.313 1.999 3.877 . 0 0 "[ . 1 . 2]" 1
649 1 91 VAL H 1 91 VAL MG1 . . 4.570 3.662 1.900 3.924 . 0 0 "[ . 1 . 2]" 1
650 1 95 ASN H 1 95 ASN QB . . 3.520 2.326 2.097 2.691 . 0 0 "[ . 1 . 2]" 1
651 1 102 ASN HA 1 102 ASN QD . . 3.180 2.468 1.929 3.483 0.303 14 0 "[ . 1 . 2]" 1
652 1 107 TYR HA 1 107 TYR QD . . 4.230 2.625 1.878 2.977 . 0 0 "[ . 1 . 2]" 1
653 1 107 TYR H 1 107 TYR QD . . 5.500 3.213 1.870 4.141 . 0 0 "[ . 1 . 2]" 1
654 1 108 LYS HA 1 108 LYS QG . . 4.000 2.583 2.295 3.327 . 0 0 "[ . 1 . 2]" 1
655 1 111 PHE H 1 111 PHE QB . . 3.900 2.168 2.081 2.351 . 0 0 "[ . 1 . 2]" 1
656 1 113 GLU H 1 113 GLU QB . . 3.140 2.249 2.231 2.295 . 0 0 "[ . 1 . 2]" 1
657 1 114 VAL H 1 114 VAL QG . . 2.550 2.167 2.021 2.312 . 0 0 "[ . 1 . 2]" 1
658 1 114 VAL H 1 114 VAL HB . . 3.960 2.494 2.401 2.607 . 0 0 "[ . 1 . 2]" 1
659 1 115 VAL HA 1 115 VAL MG1 . . 3.400 2.421 2.339 2.456 . 0 0 "[ . 1 . 2]" 1
660 1 115 VAL HA 1 115 VAL MG2 . . 3.400 3.191 3.173 3.199 . 0 0 "[ . 1 . 2]" 1
661 1 115 VAL H 1 115 VAL HB . . 3.920 3.596 3.582 3.610 . 0 0 "[ . 1 . 2]" 1
662 1 115 VAL H 1 115 VAL QG . . 3.730 1.893 1.849 1.971 . 0 0 "[ . 1 . 2]" 1
663 1 117 GLU H 1 117 GLU QB . . 3.720 2.221 2.082 2.335 . 0 0 "[ . 1 . 2]" 1
664 1 117 GLU H 1 117 GLU QG . . 4.230 3.174 2.418 4.054 . 0 0 "[ . 1 . 2]" 1
665 1 118 VAL H 1 118 VAL QG . . 3.560 1.865 1.788 2.064 . 0 0 "[ . 1 . 2]" 1
666 1 118 VAL H 1 118 VAL HB . . 3.930 2.862 2.660 3.521 . 0 0 "[ . 1 . 2]" 1
667 1 121 LEU H 1 121 LEU QD . . 4.520 3.083 2.037 3.443 . 0 0 "[ . 1 . 2]" 1
668 1 121 LEU H 1 121 LEU HG . . 5.200 2.789 2.352 3.943 . 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 116
_Distance_constraint_stats_list.Viol_count 2059
_Distance_constraint_stats_list.Viol_total 10532.256
_Distance_constraint_stats_list.Viol_max 0.675
_Distance_constraint_stats_list.Viol_rms 0.1379
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2270
_Distance_constraint_stats_list.Viol_average_violations_only 0.2558
_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 3 LYS 4.984 0.275 1 0 "[ . 1 . 2]"
1 4 LEU 8.168 0.294 9 0 "[ . 1 . 2]"
1 5 ASN 6.320 0.307 3 0 "[ . 1 . 2]"
1 6 LYS 9.879 0.328 10 0 "[ . 1 . 2]"
1 7 LYS 15.385 0.321 5 0 "[ . 1 . 2]"
1 8 VAL 15.791 0.301 14 0 "[ . 1 . 2]"
1 9 LEU 14.270 0.307 3 0 "[ . 1 . 2]"
1 10 LYS 19.230 0.332 20 0 "[ . 1 . 2]"
1 11 THR 21.975 0.404 17 0 "[ . 1 . 2]"
1 12 VAL 13.625 0.301 14 0 "[ . 1 . 2]"
1 13 LYS 7.950 0.285 8 0 "[ . 1 . 2]"
1 14 LYS 9.351 0.332 20 0 "[ . 1 . 2]"
1 15 ALA 11.574 0.404 17 0 "[ . 1 . 2]"
1 16 SER 6.001 0.256 20 0 "[ . 1 . 2]"
1 22 LYS 14.687 0.337 16 0 "[ . 1 . 2]"
1 24 GLY 14.305 0.523 16 1 "[ . 1 .+ 2]"
1 25 VAL 11.804 0.372 16 0 "[ . 1 . 2]"
1 26 LYS 9.425 0.307 19 0 "[ . 1 . 2]"
1 27 GLU 9.732 0.328 14 0 "[ . 1 . 2]"
1 28 VAL 22.971 0.523 16 1 "[ . 1 .+ 2]"
1 29 VAL 22.032 0.372 16 0 "[ . 1 . 2]"
1 30 LYS 15.947 0.307 19 0 "[ . 1 . 2]"
1 31 ALA 9.732 0.328 14 0 "[ . 1 . 2]"
1 32 LEU 9.863 0.387 18 0 "[ . 1 . 2]"
1 33 ARG 10.228 0.359 18 0 "[ . 1 . 2]"
1 34 LYS 6.522 0.248 10 0 "[ . 1 . 2]"
1 39 LEU 11.609 0.393 6 0 "[ . 1 . 2]"
1 40 VAL 22.671 0.500 9 1 "[ . +1 . 2]"
1 41 VAL 16.952 0.475 8 0 "[ . 1 . 2]"
1 42 ILE 29.983 0.511 19 2 "[ . - 1 . +2]"
1 50 ASP 15.031 0.504 7 2 "[ - + 1 . 2]"
1 51 VAL 9.744 0.473 13 0 "[ . 1 . 2]"
1 53 SER 18.702 0.524 6 4 "[ * .+ 1* . -]"
1 54 HIS 32.416 0.504 7 2 "[ - + 1 . 2]"
1 55 ILE 24.652 0.473 13 0 "[ . 1 . 2]"
1 56 PRO 0.224 0.059 19 0 "[ . 1 . 2]"
1 57 VAL 34.250 0.542 11 8 "[ ***.* 1+ . - **]"
1 58 LEU 24.063 0.465 8 0 "[ . 1 . 2]"
1 59 CYS 26.323 0.675 6 20 [*****+**-***********]
1 60 GLU 0.224 0.059 19 0 "[ . 1 . 2]"
1 61 ASP 15.548 0.542 11 6 "[ ***. 1+ . - *2]"
1 62 HIS 6.678 0.336 20 0 "[ . 1 . 2]"
1 63 SER 11.415 0.675 6 20 [*****+**-***********]
1 65 PRO 12.018 0.418 12 0 "[ . 1 . 2]"
1 67 ILE 24.071 0.500 9 1 "[ . +1 . 2]"
1 69 ILE 16.564 0.511 19 2 "[ . - 1 . +2]"
1 71 SER 5.120 0.327 5 0 "[ . 1 . 2]"
1 72 LYS 12.133 0.581 20 5 "[ . ** .*- +]"
1 73 GLN 3.575 0.313 13 0 "[ . 1 . 2]"
1 74 ASP 8.508 0.308 8 0 "[ . 1 . 2]"
1 75 LEU 10.056 0.327 5 0 "[ . 1 . 2]"
1 76 GLY 19.751 0.581 20 5 "[ . ** .*- +]"
1 77 ALA 3.575 0.313 13 0 "[ . 1 . 2]"
1 78 ALA 8.508 0.308 8 0 "[ . 1 . 2]"
1 79 GLY 4.936 0.287 5 0 "[ . 1 . 2]"
1 80 ALA 7.618 0.436 5 0 "[ . 1 . 2]"
1 87 VAL 1.197 0.257 14 0 "[ . 1 . 2]"
1 88 VAL 16.952 0.475 8 0 "[ . 1 . 2]"
1 89 PHE 14.687 0.337 16 0 "[ . 1 . 2]"
1 90 ILE 11.609 0.393 6 0 "[ . 1 . 2]"
1 103 LYS 10.034 0.364 1 0 "[ . 1 . 2]"
1 104 GLU 3.186 0.230 9 0 "[ . 1 . 2]"
1 105 GLU 8.732 0.292 2 0 "[ . 1 . 2]"
1 106 GLU 10.916 0.377 1 0 "[ . 1 . 2]"
1 107 TYR 23.648 0.461 17 0 "[ . 1 . 2]"
1 108 LYS 4.266 0.230 9 0 "[ . 1 . 2]"
1 109 GLU 23.472 0.448 1 0 "[ . 1 . 2]"
1 110 SER 16.820 0.377 1 0 "[ . 1 . 2]"
1 111 PHE 16.014 0.461 17 0 "[ . 1 . 2]"
1 112 ASN 9.046 0.355 5 0 "[ . 1 . 2]"
1 113 GLU 27.074 0.448 1 0 "[ . 1 . 2]"
1 114 VAL 18.147 0.380 17 0 "[ . 1 . 2]"
1 115 VAL 11.599 0.336 18 0 "[ . 1 . 2]"
1 116 LYS 13.404 0.355 5 0 "[ . 1 . 2]"
1 117 GLU 19.603 0.357 18 0 "[ . 1 . 2]"
1 118 VAL 12.243 0.380 17 0 "[ . 1 . 2]"
1 119 GLN 9.199 0.336 18 0 "[ . 1 . 2]"
1 120 ALA 5.438 0.238 14 0 "[ . 1 . 2]"
1 121 LEU 7.269 0.271 17 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 LYS O 1 7 LYS H . . 1.800 1.895 1.789 2.009 0.209 13 0 "[ . 1 . 2]" 2
2 1 3 LYS O 1 7 LYS N . . 2.700 2.853 2.745 2.975 0.275 1 0 "[ . 1 . 2]" 2
3 1 4 LEU O 1 8 VAL H . . 1.800 1.989 1.814 2.030 0.230 9 0 "[ . 1 . 2]" 2
4 1 4 LEU O 1 8 VAL N . . 2.700 2.919 2.792 2.994 0.294 9 0 "[ . 1 . 2]" 2
5 1 5 ASN O 1 9 LEU H . . 1.800 1.961 1.810 2.043 0.243 3 0 "[ . 1 . 2]" 2
6 1 5 ASN O 1 9 LEU N . . 2.700 2.855 2.718 3.007 0.307 3 0 "[ . 1 . 2]" 2
7 1 6 LYS O 1 10 LYS H . . 1.800 2.022 1.798 2.073 0.273 9 0 "[ . 1 . 2]" 2
8 1 6 LYS O 1 10 LYS N . . 2.700 2.972 2.759 3.028 0.328 10 0 "[ . 1 . 2]" 2
9 1 7 LYS O 1 11 THR H . . 1.800 2.036 2.010 2.091 0.291 20 0 "[ . 1 . 2]" 2
10 1 7 LYS O 1 11 THR N . . 2.700 2.985 2.951 3.021 0.321 5 0 "[ . 1 . 2]" 2
11 1 8 VAL O 1 12 VAL H . . 1.800 1.962 1.805 2.037 0.237 20 0 "[ . 1 . 2]" 2
12 1 8 VAL O 1 12 VAL N . . 2.700 2.919 2.776 3.001 0.301 14 0 "[ . 1 . 2]" 2
13 1 9 LEU O 1 13 LYS H . . 1.800 2.034 1.927 2.085 0.285 8 0 "[ . 1 . 2]" 2
14 1 9 LEU O 1 13 LYS N . . 2.700 2.863 2.737 2.949 0.249 8 0 "[ . 1 . 2]" 2
15 1 10 LYS O 1 14 LYS H . . 1.800 2.057 2.014 2.112 0.312 20 0 "[ . 1 . 2]" 2
16 1 10 LYS O 1 14 LYS N . . 2.700 2.910 2.775 3.032 0.332 20 0 "[ . 1 . 2]" 2
17 1 11 THR O 1 15 ALA H . . 1.800 2.056 2.028 2.133 0.333 17 0 "[ . 1 . 2]" 2
18 1 11 THR O 1 15 ALA N . . 2.700 3.022 2.979 3.104 0.404 17 0 "[ . 1 . 2]" 2
19 1 12 VAL O 1 16 SER H . . 1.800 2.008 1.945 2.056 0.256 20 0 "[ . 1 . 2]" 2
20 1 12 VAL O 1 16 SER N . . 2.700 2.792 2.712 2.939 0.239 10 0 "[ . 1 . 2]" 2
21 1 24 GLY O 1 28 VAL H . . 1.800 2.097 1.998 2.274 0.474 16 0 "[ . 1 . 2]" 2
22 1 24 GLY O 1 28 VAL N . . 2.700 3.059 2.974 3.223 0.523 16 1 "[ . 1 .+ 2]" 2
23 1 25 VAL O 1 29 VAL H . . 1.800 2.076 2.035 2.151 0.351 16 0 "[ . 1 . 2]" 2
24 1 25 VAL O 1 29 VAL N . . 2.700 3.014 2.973 3.072 0.372 16 0 "[ . 1 . 2]" 2
25 1 26 LYS O 1 30 LYS H . . 1.800 2.044 2.016 2.097 0.297 9 0 "[ . 1 . 2]" 2
26 1 26 LYS O 1 30 LYS N . . 2.700 2.927 2.832 3.007 0.307 19 0 "[ . 1 . 2]" 2
27 1 27 GLU O 1 31 ALA H . . 1.800 2.014 1.796 2.065 0.265 14 0 "[ . 1 . 2]" 2
28 1 27 GLU O 1 31 ALA N . . 2.700 2.972 2.730 3.028 0.328 14 0 "[ . 1 . 2]" 2
29 1 28 VAL O 1 32 LEU H . . 1.800 2.060 2.021 2.150 0.350 18 0 "[ . 1 . 2]" 2
30 1 28 VAL O 1 32 LEU N . . 2.700 2.933 2.775 3.087 0.387 18 0 "[ . 1 . 2]" 2
31 1 29 VAL O 1 33 ARG H . . 1.800 2.042 1.996 2.093 0.293 18 0 "[ . 1 . 2]" 2
32 1 29 VAL O 1 33 ARG N . . 2.700 2.969 2.882 3.059 0.359 18 0 "[ . 1 . 2]" 2
33 1 30 LYS O 1 34 LYS H . . 1.800 1.990 1.862 2.045 0.245 9 0 "[ . 1 . 2]" 2
34 1 30 LYS O 1 34 LYS N . . 2.700 2.836 2.719 2.948 0.248 10 0 "[ . 1 . 2]" 2
35 1 50 ASP O 1 54 HIS H . . 1.800 2.177 2.091 2.304 0.504 7 2 "[ - + 1 . 2]" 2
36 1 50 ASP O 1 54 HIS N . . 2.700 3.075 3.021 3.121 0.421 12 0 "[ . 1 . 2]" 2
37 1 51 VAL O 1 55 ILE H . . 1.800 2.135 2.009 2.273 0.473 13 0 "[ . 1 . 2]" 2
38 1 51 VAL O 1 55 ILE N . . 2.700 2.852 2.764 3.003 0.303 13 0 "[ . 1 . 2]" 2
39 1 53 SER O 1 57 VAL H . . 1.800 2.266 2.203 2.295 0.495 6 0 "[ . 1 . 2]" 2
40 1 53 SER O 1 57 VAL N . . 2.700 3.169 3.086 3.224 0.524 6 4 "[ * .+ 1* . -]" 2
41 1 54 HIS O 1 58 LEU H . . 1.800 2.236 2.180 2.265 0.465 8 0 "[ . 1 . 2]" 2
42 1 54 HIS O 1 58 LEU N . . 2.700 3.133 3.075 3.159 0.459 17 0 "[ . 1 . 2]" 2
43 1 55 ILE O 1 59 CYS H . . 1.800 2.199 2.175 2.235 0.435 9 0 "[ . 1 . 2]" 2
44 1 55 ILE O 1 59 CYS N . . 2.700 3.046 2.885 3.123 0.423 9 0 "[ . 1 . 2]" 2
45 1 56 PRO O 1 60 GLU H . . 1.800 1.780 1.769 1.802 0.002 20 0 "[ . 1 . 2]" 2
46 1 56 PRO O 1 60 GLU N . . 2.700 2.704 2.658 2.759 0.059 19 0 "[ . 1 . 2]" 2
47 1 57 VAL O 1 61 ASP H . . 1.800 2.286 2.210 2.342 0.542 11 6 "[ ***. 1+ . - *2]" 2
48 1 57 VAL O 1 61 ASP N . . 2.700 2.991 2.928 3.077 0.377 18 0 "[ . 1 . 2]" 2
49 1 58 LEU O 1 62 HIS H . . 1.800 1.948 1.780 2.069 0.269 20 0 "[ . 1 . 2]" 2
50 1 58 LEU O 1 62 HIS N . . 2.700 2.879 2.613 3.036 0.336 20 0 "[ . 1 . 2]" 2
51 1 59 CYS O 1 63 SER H . . 1.800 2.371 2.329 2.475 0.675 6 20 [*****+**-***********] 2
52 1 59 CYS O 1 63 SER N . . 2.700 2.559 2.515 2.679 . 0 0 "[ . 1 . 2]" 2
53 1 71 SER O 1 75 LEU H . . 1.800 1.999 1.745 2.127 0.327 5 0 "[ . 1 . 2]" 2
54 1 71 SER O 1 75 LEU N . . 2.700 2.749 2.657 2.983 0.283 5 0 "[ . 1 . 2]" 2
55 1 72 LYS O 1 76 GLY H . . 1.800 2.206 2.030 2.381 0.581 20 5 "[ . ** .*- +]" 2
56 1 72 LYS O 1 76 GLY N . . 2.700 2.901 2.710 3.063 0.363 1 0 "[ . 1 . 2]" 2
57 1 73 GLN O 1 77 ALA H . . 1.800 1.873 1.767 2.098 0.298 12 0 "[ . 1 . 2]" 2
58 1 73 GLN O 1 77 ALA N . . 2.700 2.797 2.680 3.013 0.313 13 0 "[ . 1 . 2]" 2
59 1 74 ASP O 1 78 ALA H . . 1.800 2.019 1.773 2.108 0.308 8 0 "[ . 1 . 2]" 2
60 1 74 ASP O 1 78 ALA N . . 2.700 2.902 2.737 2.997 0.297 7 0 "[ . 1 . 2]" 2
61 1 75 LEU O 1 79 GLY H . . 1.800 2.005 1.897 2.087 0.287 5 0 "[ . 1 . 2]" 2
62 1 75 LEU O 1 79 GLY N . . 2.700 2.721 2.634 2.954 0.254 12 0 "[ . 1 . 2]" 2
63 1 76 GLY O 1 80 ALA H . . 1.800 2.106 2.012 2.236 0.436 5 0 "[ . 1 . 2]" 2
64 1 76 GLY O 1 80 ALA N . . 2.700 2.746 2.614 3.010 0.310 6 0 "[ . 1 . 2]" 2
65 1 103 LYS O 1 107 TYR H . . 1.800 2.039 1.834 2.101 0.301 1 0 "[ . 1 . 2]" 2
66 1 103 LYS O 1 107 TYR N . . 2.700 2.963 2.738 3.064 0.364 1 0 "[ . 1 . 2]" 2
67 1 104 GLU O 1 108 LYS H . . 1.800 1.894 1.798 2.013 0.213 9 0 "[ . 1 . 2]" 2
68 1 104 GLU O 1 108 LYS N . . 2.700 2.764 2.684 2.930 0.230 9 0 "[ . 1 . 2]" 2
69 1 105 GLU O 1 109 GLU H . . 1.800 2.035 1.951 2.092 0.292 2 0 "[ . 1 . 2]" 2
70 1 105 GLU O 1 109 GLU N . . 2.700 2.901 2.818 2.963 0.263 20 0 "[ . 1 . 2]" 2
71 1 106 GLU O 1 110 SER H . . 1.800 2.040 1.972 2.109 0.309 1 0 "[ . 1 . 2]" 2
72 1 106 GLU O 1 110 SER N . . 2.700 3.006 2.944 3.077 0.377 1 0 "[ . 1 . 2]" 2
73 1 107 TYR O 1 111 PHE H . . 1.800 2.121 2.062 2.227 0.427 17 0 "[ . 1 . 2]" 2
74 1 107 TYR O 1 111 PHE N . . 2.700 3.060 2.983 3.161 0.461 17 0 "[ . 1 . 2]" 2
75 1 108 LYS O 1 112 ASN H . . 1.800 1.792 1.738 1.950 0.150 20 0 "[ . 1 . 2]" 2
76 1 108 LYS O 1 112 ASN N . . 2.700 2.720 2.659 2.908 0.208 20 0 "[ . 1 . 2]" 2
77 1 109 GLU O 1 113 GLU H . . 1.800 2.157 2.095 2.200 0.400 7 0 "[ . 1 . 2]" 2
78 1 109 GLU O 1 113 GLU N . . 2.700 3.080 3.018 3.148 0.448 1 0 "[ . 1 . 2]" 2
79 1 110 SER O 1 114 VAL H . . 1.800 1.925 1.791 2.057 0.257 15 0 "[ . 1 . 2]" 2
80 1 110 SER O 1 114 VAL N . . 2.700 2.870 2.723 3.010 0.310 1 0 "[ . 1 . 2]" 2
81 1 111 PHE O 1 115 VAL H . . 1.800 1.840 1.736 2.080 0.280 19 0 "[ . 1 . 2]" 2
82 1 111 PHE O 1 115 VAL N . . 2.700 2.751 2.615 3.028 0.328 8 0 "[ . 1 . 2]" 2
83 1 112 ASN O 1 116 LYS H . . 1.800 2.058 1.920 2.155 0.355 5 0 "[ . 1 . 2]" 2
84 1 112 ASN O 1 116 LYS N . . 2.700 2.840 2.708 2.915 0.215 18 0 "[ . 1 . 2]" 2
85 1 113 GLU O 1 117 GLU H . . 1.800 2.087 2.059 2.125 0.325 20 0 "[ . 1 . 2]" 2
86 1 113 GLU O 1 117 GLU N . . 2.700 3.030 3.008 3.057 0.357 18 0 "[ . 1 . 2]" 2
87 1 114 VAL O 1 118 VAL H . . 1.800 2.077 2.032 2.144 0.344 18 0 "[ . 1 . 2]" 2
88 1 114 VAL O 1 118 VAL N . . 2.700 3.035 2.995 3.080 0.380 17 0 "[ . 1 . 2]" 2
89 1 115 VAL O 1 119 GLN H . . 1.800 2.056 2.013 2.119 0.319 20 0 "[ . 1 . 2]" 2
90 1 115 VAL O 1 119 GLN N . . 2.700 2.903 2.835 3.036 0.336 18 0 "[ . 1 . 2]" 2
91 1 116 LYS O 1 120 ALA H . . 1.800 1.960 1.802 2.031 0.231 19 0 "[ . 1 . 2]" 2
92 1 116 LYS O 1 120 ALA N . . 2.700 2.812 2.721 2.938 0.238 14 0 "[ . 1 . 2]" 2
93 1 117 GLU O 1 121 LEU H . . 1.800 1.968 1.810 2.057 0.257 5 0 "[ . 1 . 2]" 2
94 1 117 GLU O 1 121 LEU N . . 2.700 2.895 2.747 2.971 0.271 17 0 "[ . 1 . 2]" 2
95 1 22 LYS O 1 89 PHE H . . 1.800 2.005 1.877 2.087 0.287 12 0 "[ . 1 . 2]" 2
96 1 22 LYS O 1 89 PHE N . . 2.700 2.855 2.787 2.962 0.262 16 0 "[ . 1 . 2]" 2
97 1 22 LYS H 1 89 PHE O . . 1.800 1.960 1.814 2.062 0.262 16 0 "[ . 1 . 2]" 2
98 1 22 LYS N 1 89 PHE O . . 2.700 2.914 2.785 3.037 0.337 16 0 "[ . 1 . 2]" 2
99 1 41 VAL O 1 88 VAL H . . 1.800 2.207 2.153 2.237 0.437 15 0 "[ . 1 . 2]" 2
100 1 41 VAL O 1 88 VAL N . . 2.700 3.134 3.059 3.175 0.475 8 0 "[ . 1 . 2]" 2
101 1 41 VAL H 1 88 VAL O . . 1.800 1.775 1.715 1.866 0.066 13 0 "[ . 1 . 2]" 2
102 1 41 VAL N 1 88 VAL O . . 2.700 2.554 2.485 2.617 . 0 0 "[ . 1 . 2]" 2
103 1 39 LEU O 1 90 ILE H . . 1.800 1.713 1.616 1.777 . 0 0 "[ . 1 . 2]" 2
104 1 39 LEU O 1 90 ILE N . . 2.700 2.578 2.525 2.644 . 0 0 "[ . 1 . 2]" 2
105 1 42 ILE O 1 69 ILE H . . 1.800 2.187 2.063 2.287 0.487 19 0 "[ . 1 . 2]" 2
106 1 42 ILE O 1 69 ILE N . . 2.700 3.141 3.025 3.211 0.511 19 2 "[ . - 1 . +2]" 2
107 1 42 ILE H 1 67 ILE O . . 1.800 2.111 1.983 2.202 0.402 8 0 "[ . 1 . 2]" 2
108 1 42 ILE N 1 67 ILE O . . 2.700 3.060 2.916 3.149 0.449 8 0 "[ . 1 . 2]" 2
109 1 40 VAL O 1 67 ILE H . . 1.800 2.152 2.018 2.300 0.500 9 1 "[ . +1 . 2]" 2
110 1 40 VAL O 1 67 ILE N . . 2.700 2.877 2.649 3.075 0.375 9 0 "[ . 1 . 2]" 2
111 1 40 VAL H 1 65 PRO O . . 1.800 2.073 1.862 2.190 0.390 1 0 "[ . 1 . 2]" 2
112 1 40 VAL N 1 65 PRO O . . 2.700 3.028 2.806 3.118 0.418 12 0 "[ . 1 . 2]" 2
113 1 24 GLY H 1 87 VAL O . . 1.800 1.830 1.748 2.057 0.257 14 0 "[ . 1 . 2]" 2
114 1 24 GLY N 1 87 VAL O . . 2.700 2.703 2.667 2.746 0.046 9 0 "[ . 1 . 2]" 2
115 1 39 LEU H 1 90 ILE O . . 1.800 2.114 2.000 2.193 0.393 6 0 "[ . 1 . 2]" 2
116 1 39 LEU N 1 90 ILE O . . 2.700 2.966 2.893 3.022 0.322 6 0 "[ . 1 . 2]" 2
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