NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522291 |
2lk2   |
17971 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lk2
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 855
_Distance_constraint_stats_list.Viol_count 361
_Distance_constraint_stats_list.Viol_total 380.254
_Distance_constraint_stats_list.Viol_max 0.386
_Distance_constraint_stats_list.Viol_rms 0.0113
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0527
_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 7 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 HIS 0.203 0.112 9 0 "[ . 1 . 2]"
1 9 SER 0.203 0.112 9 0 "[ . 1 . 2]"
1 10 HIS 0.223 0.081 9 0 "[ . 1 . 2]"
1 11 MET 1.521 0.245 4 0 "[ . 1 . 2]"
1 12 LEU 1.461 0.245 4 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.233 0.043 20 0 "[ . 1 . 2]"
1 18 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 0.421 0.104 10 0 "[ . 1 . 2]"
1 20 LEU 0.033 0.033 2 0 "[ . 1 . 2]"
1 21 ARG 0.236 0.044 16 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TRP 0.428 0.162 13 0 "[ . 1 . 2]"
1 24 LEU 1.117 0.132 17 0 "[ . 1 . 2]"
1 25 TYR 1.478 0.244 4 0 "[ . 1 . 2]"
1 26 GLU 0.382 0.206 17 0 "[ . 1 . 2]"
1 27 HIS 0.031 0.031 17 0 "[ . 1 . 2]"
1 28 ARG 0.617 0.244 4 0 "[ . 1 . 2]"
1 29 TYR 0.718 0.215 17 0 "[ . 1 . 2]"
1 30 ASN 0.812 0.215 17 0 "[ . 1 . 2]"
1 31 ALA 0.862 0.166 18 0 "[ . 1 . 2]"
1 32 TYR 0.389 0.169 18 0 "[ . 1 . 2]"
1 33 PRO 0.074 0.039 4 0 "[ . 1 . 2]"
1 34 SER 0.212 0.067 10 0 "[ . 1 . 2]"
1 35 GLU 0.035 0.021 17 0 "[ . 1 . 2]"
1 36 GLN 0.367 0.182 13 0 "[ . 1 . 2]"
1 37 GLU 1.001 0.226 14 0 "[ . 1 . 2]"
1 38 LYS 0.552 0.141 7 0 "[ . 1 . 2]"
1 39 ALA 0.239 0.182 13 0 "[ . 1 . 2]"
1 40 LEU 0.926 0.226 14 0 "[ . 1 . 2]"
1 41 LEU 0.980 0.263 10 0 "[ . 1 . 2]"
1 42 SER 0.084 0.051 13 0 "[ . 1 . 2]"
1 43 GLN 0.390 0.103 11 0 "[ . 1 . 2]"
1 44 GLN 0.513 0.081 16 0 "[ . 1 . 2]"
1 45 THR 0.100 0.043 20 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.343 0.082 12 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.509 0.141 7 0 "[ . 1 . 2]"
1 50 LEU 0.153 0.044 1 0 "[ . 1 . 2]"
1 51 GLN 0.509 0.082 12 0 "[ . 1 . 2]"
1 52 VAL 0.104 0.053 7 0 "[ . 1 . 2]"
1 53 CYS 0.053 0.053 7 0 "[ . 1 . 2]"
1 54 ASN 0.602 0.099 14 0 "[ . 1 . 2]"
1 55 TRP 0.547 0.084 1 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.381 0.099 14 0 "[ . 1 . 2]"
1 58 ASN 0.163 0.056 6 0 "[ . 1 . 2]"
1 59 ALA 0.232 0.065 20 0 "[ . 1 . 2]"
1 60 ARG 1.616 0.360 9 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 0.147 0.056 6 0 "[ . 1 . 2]"
1 63 LEU 1.284 0.132 17 0 "[ . 1 . 2]"
1 64 LEU 1.969 0.360 9 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 MET 0.279 0.279 19 0 "[ . 1 . 2]"
1 68 LEU 1.408 0.386 11 0 "[ . 1 . 2]"
1 69 ARG 0.388 0.133 17 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 1.027 0.386 11 0 "[ . 1 . 2]"
1 72 GLY 0.623 0.151 20 0 "[ . 1 . 2]"
1 73 LYS 0.426 0.161 6 0 "[ . 1 . 2]"
1 74 ASP 0.035 0.035 1 0 "[ . 1 . 2]"
1 75 PRO 0.123 0.078 4 0 "[ . 1 . 2]"
1 76 ASN 0.861 0.204 10 0 "[ . 1 . 2]"
1 77 GLN 0.742 0.204 10 0 "[ . 1 . 2]"
1 78 PHE 0.369 0.099 12 0 "[ . 1 . 2]"
1 79 THR 0.740 0.145 10 0 "[ . 1 . 2]"
1 80 ILE 0.697 0.145 10 0 "[ . 1 . 2]"
1 81 SER 0.020 0.020 2 0 "[ . 1 . 2]"
1 82 ARG 0.043 0.022 12 0 "[ . 1 . 2]"
1 83 ARG 0.259 0.071 10 0 "[ . 1 . 2]"
1 84 GLY 0.780 0.182 6 0 "[ . 1 . 2]"
1 85 ALA 0.708 0.182 6 0 "[ . 1 . 2]"
1 86 LYS 0.524 0.164 12 0 "[ . 1 . 2]"
1 87 ILE 0.415 0.148 13 0 "[ . 1 . 2]"
1 88 SER 0.010 0.010 6 0 "[ . 1 . 2]"
1 89 GLU 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 7 HIS QB 1 8 HIS H 1.800 . 4.300 2.944 1.830 4.068 . 0 0 "[ . 1 . 2]" 1
2 1 8 HIS HA 1 9 SER H 1.800 . 2.880 2.386 2.184 2.992 0.112 9 0 "[ . 1 . 2]" 1
3 1 8 HIS QB 1 9 SER H 1.800 . 4.300 3.194 1.979 4.040 . 0 0 "[ . 1 . 2]" 1
4 1 9 SER HA 1 10 HIS H 1.800 . 3.760 2.511 2.189 3.585 . 0 0 "[ . 1 . 2]" 1
5 1 9 SER QB 1 10 HIS H 1.800 . 4.300 2.885 1.828 3.863 . 0 0 "[ . 1 . 2]" 1
6 1 10 HIS HA 1 11 MET H 1.800 . 3.550 2.883 2.142 3.567 0.017 5 0 "[ . 1 . 2]" 1
7 1 10 HIS QB 1 11 MET H 1.800 . 4.380 2.862 1.774 3.921 0.026 2 0 "[ . 1 . 2]" 1
8 1 10 HIS H 1 11 MET H 1.800 . 4.550 3.602 1.940 4.631 0.081 9 0 "[ . 1 . 2]" 1
9 1 11 MET HA 1 12 LEU H 1.800 . 3.290 2.681 2.156 3.535 0.245 4 0 "[ . 1 . 2]" 1
10 1 11 MET QB 1 12 LEU H 1.800 . 3.880 2.628 1.748 3.805 0.052 13 0 "[ . 1 . 2]" 1
11 1 11 MET ME 1 12 LEU H 1.800 . 4.470 3.816 2.950 4.506 0.036 2 0 "[ . 1 . 2]" 1
12 1 11 MET ME 1 17 VAL MG2 1.800 . 4.050 3.453 2.195 4.085 0.035 11 0 "[ . 1 . 2]" 1
13 1 11 MET ME 1 11 MET QG 1.800 . 3.720 2.201 2.129 2.267 . 0 0 "[ . 1 . 2]" 1
14 1 11 MET QG 1 12 LEU H 1.800 . 4.720 3.119 1.775 4.504 0.025 15 0 "[ . 1 . 2]" 1
15 1 11 MET H 1 11 MET QB 1.800 . 3.200 2.587 2.165 3.260 0.060 5 0 "[ . 1 . 2]" 1
16 1 11 MET H 1 11 MET QG 1.800 . 4.620 2.921 1.749 4.171 0.051 15 0 "[ . 1 . 2]" 1
17 1 12 LEU HA 1 12 LEU MD2 1.800 . 3.740 2.346 2.084 3.756 0.016 8 0 "[ . 1 . 2]" 1
18 1 12 LEU HA 1 13 PRO QD 1.800 . 3.120 2.109 2.064 2.181 . 0 0 "[ . 1 . 2]" 1
19 1 12 LEU HA 1 13 PRO QG 1.800 . 5.610 4.006 3.873 4.062 . 0 0 "[ . 1 . 2]" 1
20 1 12 LEU HA 1 17 VAL MG2 1.800 . 4.860 4.330 3.829 4.805 . 0 0 "[ . 1 . 2]" 1
21 1 12 LEU QB 1 12 LEU MD2 1.800 . 4.270 2.264 2.095 2.352 . 0 0 "[ . 1 . 2]" 1
22 1 12 LEU QB 1 13 PRO QD 1.800 . 4.000 2.196 1.998 2.268 . 0 0 "[ . 1 . 2]" 1
23 1 12 LEU HB3 1 12 LEU MD1 1.800 . 3.960 2.394 2.227 3.200 . 0 0 "[ . 1 . 2]" 1
24 1 12 LEU HB3 1 13 PRO HD3 1.800 . 5.210 3.298 2.445 3.741 . 0 0 "[ . 1 . 2]" 1
25 1 12 LEU HB3 1 13 PRO HD2 1.800 . 5.210 2.281 2.214 2.325 . 0 0 "[ . 1 . 2]" 1
26 1 12 LEU HB3 1 17 VAL MG2 1.800 . 4.240 3.417 2.266 4.267 0.027 20 0 "[ . 1 . 2]" 1
27 1 12 LEU HB2 1 12 LEU MD1 1.800 . 3.960 2.394 2.226 2.485 . 0 0 "[ . 1 . 2]" 1
28 1 12 LEU HB2 1 13 PRO HD3 1.800 . 5.210 4.357 3.452 4.872 . 0 0 "[ . 1 . 2]" 1
29 1 12 LEU HB2 1 13 PRO HD2 1.800 . 5.210 3.495 2.714 3.917 . 0 0 "[ . 1 . 2]" 1
30 1 12 LEU HB2 1 17 VAL MG2 1.800 . 3.640 2.312 2.080 2.833 . 0 0 "[ . 1 . 2]" 1
31 1 12 LEU MD1 1 13 PRO QD 1.800 . 5.680 3.862 3.551 4.093 . 0 0 "[ . 1 . 2]" 1
32 1 12 LEU MD1 1 20 LEU MD1 1.800 . 4.590 2.765 1.922 4.623 0.033 2 0 "[ . 1 . 2]" 1
33 1 12 LEU MD1 1 47 LEU MD1 1.800 . 4.210 2.253 1.983 3.899 . 0 0 "[ . 1 . 2]" 1
34 1 12 LEU MD1 1 55 TRP HB3 1.800 . 5.400 3.286 2.276 5.134 . 0 0 "[ . 1 . 2]" 1
35 1 12 LEU MD1 1 55 TRP HB2 1.800 . 5.400 2.591 2.161 3.661 . 0 0 "[ . 1 . 2]" 1
36 1 12 LEU MD1 1 55 TRP HD1 1.800 . 4.030 2.690 2.194 3.341 . 0 0 "[ . 1 . 2]" 1
37 1 12 LEU MD1 1 55 TRP HE1 1.800 . 5.220 3.661 2.954 5.005 . 0 0 "[ . 1 . 2]" 1
38 1 12 LEU MD1 1 55 TRP H 1.800 . 5.570 4.441 3.674 5.281 . 0 0 "[ . 1 . 2]" 1
39 1 12 LEU MD2 1 13 PRO QD 1.800 . 4.040 3.138 2.194 3.584 . 0 0 "[ . 1 . 2]" 1
40 1 12 LEU MD2 1 51 GLN QE 1.800 . 4.490 3.257 1.782 4.434 0.018 13 0 "[ . 1 . 2]" 1
41 1 12 LEU MD2 1 51 GLN HE21 1.800 . 5.170 3.627 1.826 5.231 0.061 3 0 "[ . 1 . 2]" 1
42 1 12 LEU MD2 1 51 GLN HE22 1.800 . 5.170 3.909 2.100 5.127 . 0 0 "[ . 1 . 2]" 1
43 1 12 LEU HG 1 17 VAL MG2 1.800 . 4.330 3.845 3.314 4.369 0.039 2 0 "[ . 1 . 2]" 1
44 1 12 LEU H 1 12 LEU HB3 1.800 . 4.200 3.602 3.521 3.649 . 0 0 "[ . 1 . 2]" 1
45 1 12 LEU H 1 12 LEU HB2 1.800 . 4.200 2.694 2.191 2.965 . 0 0 "[ . 1 . 2]" 1
46 1 12 LEU H 1 12 LEU MD2 1.800 . 4.000 2.817 2.168 3.840 . 0 0 "[ . 1 . 2]" 1
47 1 12 LEU H 1 12 LEU HG 1.800 . 4.250 2.108 1.736 4.132 0.064 11 0 "[ . 1 . 2]" 1
48 1 12 LEU H 1 13 PRO QD 1.800 . 4.940 4.443 4.391 4.477 . 0 0 "[ . 1 . 2]" 1
49 1 13 PRO HA 1 14 LYS HA 1.800 . 5.400 4.391 4.345 4.417 . 0 0 "[ . 1 . 2]" 1
50 1 13 PRO HA 1 14 LYS H 1.800 . 3.160 2.303 2.198 2.397 . 0 0 "[ . 1 . 2]" 1
51 1 13 PRO HB3 1 14 LYS H 1.800 . 4.650 3.213 2.864 3.667 . 0 0 "[ . 1 . 2]" 1
52 1 13 PRO HB3 1 16 SER H 1.800 . 5.270 4.045 3.620 4.686 . 0 0 "[ . 1 . 2]" 1
53 1 13 PRO HB2 1 14 LYS H 1.800 . 4.650 3.434 2.701 3.821 . 0 0 "[ . 1 . 2]" 1
54 1 13 PRO HB2 1 16 SER H 1.800 . 5.270 2.497 2.135 3.267 . 0 0 "[ . 1 . 2]" 1
55 1 13 PRO QD 1 47 LEU MD1 1.800 . 4.950 3.019 2.231 4.202 . 0 0 "[ . 1 . 2]" 1
56 1 13 PRO QD 1 47 LEU MD2 1.800 . 4.860 3.200 2.456 4.329 . 0 0 "[ . 1 . 2]" 1
57 1 13 PRO QG 1 16 SER H 1.800 . 5.250 3.735 2.202 4.289 . 0 0 "[ . 1 . 2]" 1
58 1 14 LYS HA 1 14 LYS QD 1.800 . 4.800 3.630 2.169 4.279 . 0 0 "[ . 1 . 2]" 1
59 1 14 LYS HA 1 14 LYS QG 1.800 . 3.940 2.577 2.323 3.326 . 0 0 "[ . 1 . 2]" 1
60 1 14 LYS HA 1 17 VAL HB 1.800 . 3.990 2.453 2.327 3.017 . 0 0 "[ . 1 . 2]" 1
61 1 14 LYS HA 1 17 VAL MG2 1.800 . 3.990 3.095 2.699 3.395 . 0 0 "[ . 1 . 2]" 1
62 1 14 LYS HA 1 17 VAL H 1.800 . 4.200 3.472 3.289 3.672 . 0 0 "[ . 1 . 2]" 1
63 1 14 LYS HA 1 18 GLN H 1.800 . 4.950 3.798 3.475 4.344 . 0 0 "[ . 1 . 2]" 1
64 1 14 LYS QB 1 14 LYS QD 1.800 . 3.690 2.163 2.126 2.251 . 0 0 "[ . 1 . 2]" 1
65 1 14 LYS QB 1 15 GLU H 1.800 . 4.170 2.675 2.439 3.491 . 0 0 "[ . 1 . 2]" 1
66 1 14 LYS QG 1 15 GLU H 1.800 . 4.830 3.584 2.038 4.124 . 0 0 "[ . 1 . 2]" 1
67 1 14 LYS H 1 14 LYS QB 1.800 . 3.490 2.337 2.235 2.477 . 0 0 "[ . 1 . 2]" 1
68 1 14 LYS H 1 14 LYS QD 1.800 . 5.190 4.023 3.413 4.556 . 0 0 "[ . 1 . 2]" 1
69 1 14 LYS H 1 14 LYS QG 1.800 . 4.850 3.050 2.000 4.070 . 0 0 "[ . 1 . 2]" 1
70 1 14 LYS H 1 15 GLU H 1.800 . 4.390 2.727 2.644 2.827 . 0 0 "[ . 1 . 2]" 1
71 1 15 GLU HA 1 15 GLU QG 1.800 . 3.850 2.660 2.322 3.306 . 0 0 "[ . 1 . 2]" 1
72 1 15 GLU HA 1 18 GLN H 1.800 . 4.860 3.632 3.471 3.763 . 0 0 "[ . 1 . 2]" 1
73 1 15 GLU QB 1 16 SER H 1.800 . 4.290 2.451 2.209 3.407 . 0 0 "[ . 1 . 2]" 1
74 1 15 GLU QG 1 16 SER H 1.800 . 4.960 3.677 1.910 4.284 . 0 0 "[ . 1 . 2]" 1
75 1 15 GLU H 1 15 GLU QB 1.800 . 3.790 2.389 2.242 2.491 . 0 0 "[ . 1 . 2]" 1
76 1 15 GLU H 1 15 GLU QG 1.800 . 4.250 2.627 1.957 4.079 . 0 0 "[ . 1 . 2]" 1
77 1 15 GLU H 1 16 SER H 1.800 . 4.080 2.795 2.628 2.892 . 0 0 "[ . 1 . 2]" 1
78 1 16 SER HA 1 19 ILE HB 1.800 . 4.950 2.947 2.596 3.211 . 0 0 "[ . 1 . 2]" 1
79 1 16 SER HA 1 19 ILE MD 1.800 . 4.350 2.642 2.305 2.987 . 0 0 "[ . 1 . 2]" 1
80 1 16 SER HA 1 19 ILE H 1.800 . 4.820 3.601 3.428 3.720 . 0 0 "[ . 1 . 2]" 1
81 1 16 SER HA 1 45 THR MG 1.800 . 4.130 2.814 2.160 3.243 . 0 0 "[ . 1 . 2]" 1
82 1 16 SER QB 1 17 VAL H 1.800 . 3.750 2.820 2.475 3.490 . 0 0 "[ . 1 . 2]" 1
83 1 16 SER QB 1 45 THR HB 1.800 . 4.630 3.179 2.332 3.959 . 0 0 "[ . 1 . 2]" 1
84 1 16 SER QB 1 45 THR MG 1.800 . 4.500 3.170 2.376 3.979 . 0 0 "[ . 1 . 2]" 1
85 1 16 SER QB 1 47 LEU MD1 1.800 . 4.460 2.453 2.082 3.193 . 0 0 "[ . 1 . 2]" 1
86 1 16 SER H 1 16 SER QB 1.800 . 3.780 2.447 2.225 2.587 . 0 0 "[ . 1 . 2]" 1
87 1 16 SER H 1 17 VAL MG2 1.800 . 4.850 4.220 4.014 4.371 . 0 0 "[ . 1 . 2]" 1
88 1 16 SER H 1 17 VAL H 1.800 . 3.530 2.655 2.560 2.708 . 0 0 "[ . 1 . 2]" 1
89 1 17 VAL HA 1 17 VAL MG1 1.800 . 3.660 2.392 2.363 2.436 . 0 0 "[ . 1 . 2]" 1
90 1 17 VAL HA 1 17 VAL MG2 1.800 . 3.630 2.359 2.321 2.376 . 0 0 "[ . 1 . 2]" 1
91 1 17 VAL HA 1 20 LEU HB3 1.800 . 5.440 4.224 3.907 4.446 . 0 0 "[ . 1 . 2]" 1
92 1 17 VAL HA 1 20 LEU HB2 1.800 . 5.440 2.610 2.415 2.844 . 0 0 "[ . 1 . 2]" 1
93 1 17 VAL HA 1 20 LEU MD1 1.800 . 4.090 2.740 2.408 3.033 . 0 0 "[ . 1 . 2]" 1
94 1 17 VAL HA 1 20 LEU HG 1.800 . 5.010 4.066 3.557 4.568 . 0 0 "[ . 1 . 2]" 1
95 1 17 VAL HA 1 20 LEU H 1.800 . 4.530 3.530 3.373 3.717 . 0 0 "[ . 1 . 2]" 1
96 1 17 VAL HA 1 21 ARG H 1.800 . 5.050 3.688 3.467 4.132 . 0 0 "[ . 1 . 2]" 1
97 1 17 VAL HA 1 55 TRP HZ2 1.800 . 5.430 3.626 2.920 4.336 . 0 0 "[ . 1 . 2]" 1
98 1 17 VAL HB 1 18 GLN H 1.800 . 3.750 2.555 2.517 2.589 . 0 0 "[ . 1 . 2]" 1
99 1 17 VAL MG1 1 18 GLN H 1.800 . 4.570 3.268 3.146 3.338 . 0 0 "[ . 1 . 2]" 1
100 1 17 VAL MG1 1 20 LEU QB 1.800 . 4.190 3.733 3.465 4.065 . 0 0 "[ . 1 . 2]" 1
101 1 17 VAL MG1 1 21 ARG QB 1.800 . 4.280 2.861 2.598 3.855 . 0 0 "[ . 1 . 2]" 1
102 1 17 VAL MG1 1 21 ARG QD 1.800 . 4.520 3.397 1.976 4.108 . 0 0 "[ . 1 . 2]" 1
103 1 17 VAL MG1 1 21 ARG H 1.800 . 5.050 3.702 3.489 3.874 . 0 0 "[ . 1 . 2]" 1
104 1 17 VAL MG1 1 55 TRP HE1 1.800 . 4.360 3.472 2.401 4.384 0.024 4 0 "[ . 1 . 2]" 1
105 1 17 VAL MG1 1 55 TRP HZ2 1.800 . 3.840 2.571 2.268 3.381 . 0 0 "[ . 1 . 2]" 1
106 1 17 VAL MG2 1 18 GLN H 1.800 . 4.930 3.893 3.859 3.928 . 0 0 "[ . 1 . 2]" 1
107 1 17 VAL MG2 1 20 LEU MD1 1.800 . 4.530 3.563 3.307 3.812 . 0 0 "[ . 1 . 2]" 1
108 1 17 VAL MG2 1 55 TRP HE1 1.800 . 4.300 2.704 1.867 3.652 . 0 0 "[ . 1 . 2]" 1
109 1 17 VAL MG2 1 55 TRP HZ2 1.800 . 5.420 3.579 2.871 4.834 . 0 0 "[ . 1 . 2]" 1
110 1 17 VAL H 1 17 VAL HB 1.800 . 3.430 2.428 2.380 2.472 . 0 0 "[ . 1 . 2]" 1
111 1 17 VAL H 1 17 VAL MG1 1.800 . 4.770 3.757 3.748 3.772 . 0 0 "[ . 1 . 2]" 1
112 1 17 VAL H 1 17 VAL MG2 1.800 . 3.300 2.206 2.141 2.325 . 0 0 "[ . 1 . 2]" 1
113 1 17 VAL H 1 18 GLN H 1.800 . 3.590 2.692 2.631 2.730 . 0 0 "[ . 1 . 2]" 1
114 1 17 VAL H 1 45 THR MG 1.800 . 5.590 5.415 4.893 5.633 0.043 20 0 "[ . 1 . 2]" 1
115 1 17 VAL H 1 47 LEU MD1 1.800 . 6.020 5.117 4.412 5.724 . 0 0 "[ . 1 . 2]" 1
116 1 18 GLN HA 1 21 ARG QB 1.800 . 3.810 2.632 2.482 2.759 . 0 0 "[ . 1 . 2]" 1
117 1 18 GLN HA 1 21 ARG QD 1.800 . 5.180 3.696 2.575 4.405 . 0 0 "[ . 1 . 2]" 1
118 1 18 GLN HA 1 21 ARG H 1.800 . 4.720 3.617 3.520 3.740 . 0 0 "[ . 1 . 2]" 1
119 1 18 GLN HA 1 22 ASP H 1.800 . 4.800 3.922 3.675 4.203 . 0 0 "[ . 1 . 2]" 1
120 1 18 GLN QB 1 19 ILE H 1.800 . 3.790 2.442 2.314 2.548 . 0 0 "[ . 1 . 2]" 1
121 1 18 GLN QG 1 19 ILE H 1.800 . 4.940 3.818 3.469 4.353 . 0 0 "[ . 1 . 2]" 1
122 1 18 GLN H 1 18 GLN QB 1.800 . 3.210 2.285 2.167 2.397 . 0 0 "[ . 1 . 2]" 1
123 1 18 GLN H 1 18 GLN QG 1.800 . 4.440 3.389 2.179 4.073 . 0 0 "[ . 1 . 2]" 1
124 1 18 GLN H 1 19 ILE H 1.800 . 3.920 2.784 2.702 2.858 . 0 0 "[ . 1 . 2]" 1
125 1 19 ILE HA 1 19 ILE MD 1.800 . 5.030 3.825 3.816 3.830 . 0 0 "[ . 1 . 2]" 1
126 1 19 ILE HA 1 19 ILE QG 1.800 . 3.650 2.377 2.366 2.388 . 0 0 "[ . 1 . 2]" 1
127 1 19 ILE HA 1 19 ILE MG 1.800 . 3.650 2.391 2.378 2.403 . 0 0 "[ . 1 . 2]" 1
128 1 19 ILE HA 1 22 ASP QB 1.800 . 4.140 2.805 2.517 3.033 . 0 0 "[ . 1 . 2]" 1
129 1 19 ILE HA 1 22 ASP H 1.800 . 4.690 3.610 3.453 3.735 . 0 0 "[ . 1 . 2]" 1
130 1 19 ILE HB 1 20 LEU H 1.800 . 3.990 2.490 2.419 2.560 . 0 0 "[ . 1 . 2]" 1
131 1 19 ILE HB 1 45 THR MG 1.800 . 3.700 2.864 2.318 3.564 . 0 0 "[ . 1 . 2]" 1
132 1 19 ILE MD 1 44 GLN HB3 1.800 . 5.600 3.669 2.379 4.863 . 0 0 "[ . 1 . 2]" 1
133 1 19 ILE MD 1 44 GLN HB2 1.800 . 5.600 4.639 3.277 5.647 0.047 1 0 "[ . 1 . 2]" 1
134 1 19 ILE MD 1 44 GLN QE 1.800 . 5.870 5.061 3.914 5.872 0.002 16 0 "[ . 1 . 2]" 1
135 1 19 ILE MD 1 44 GLN QG 1.800 . 5.870 4.244 2.511 5.465 . 0 0 "[ . 1 . 2]" 1
136 1 19 ILE MD 1 45 THR HA 1.800 . 4.840 3.616 2.866 4.607 . 0 0 "[ . 1 . 2]" 1
137 1 19 ILE MD 1 45 THR MG 1.800 . 4.020 2.686 2.079 3.167 . 0 0 "[ . 1 . 2]" 1
138 1 19 ILE MD 1 45 THR H 1.800 . 5.430 4.888 3.939 5.403 . 0 0 "[ . 1 . 2]" 1
139 1 19 ILE MD 1 19 ILE MG 1.800 . 3.810 1.846 1.804 1.920 . 0 0 "[ . 1 . 2]" 1
140 1 19 ILE HG13 1 19 ILE MG 1.800 . 3.940 3.191 3.186 3.198 . 0 0 "[ . 1 . 2]" 1
141 1 19 ILE HG12 1 19 ILE MG 1.800 . 3.940 2.336 2.324 2.355 . 0 0 "[ . 1 . 2]" 1
142 1 19 ILE MG 1 20 LEU MD2 1.800 . 4.510 3.295 3.069 4.033 . 0 0 "[ . 1 . 2]" 1
143 1 19 ILE MG 1 20 LEU H 1.800 . 4.220 3.218 3.160 3.275 . 0 0 "[ . 1 . 2]" 1
144 1 19 ILE MG 1 41 LEU HA 1.800 . 5.140 4.353 3.539 4.899 . 0 0 "[ . 1 . 2]" 1
145 1 19 ILE MG 1 41 LEU MD1 1.800 . 6.050 5.047 4.157 6.081 0.031 16 0 "[ . 1 . 2]" 1
146 1 19 ILE MG 1 41 LEU MD2 1.800 . 4.090 3.318 2.125 4.194 0.104 10 0 "[ . 1 . 2]" 1
147 1 19 ILE MG 1 44 GLN HB3 1.800 . 4.770 2.988 2.283 3.687 . 0 0 "[ . 1 . 2]" 1
148 1 19 ILE MG 1 44 GLN HB2 1.800 . 4.770 3.613 2.809 4.473 . 0 0 "[ . 1 . 2]" 1
149 1 19 ILE MG 1 44 GLN QE 1.800 . 5.520 3.900 2.474 5.568 0.048 5 0 "[ . 1 . 2]" 1
150 1 19 ILE MG 1 44 GLN QG 1.800 . 5.650 3.515 2.053 4.758 . 0 0 "[ . 1 . 2]" 1
151 1 19 ILE MG 1 45 THR MG 1.800 . 3.790 2.668 2.242 3.275 . 0 0 "[ . 1 . 2]" 1
152 1 19 ILE MG 1 45 THR H 1.800 . 6.050 4.592 3.921 5.272 . 0 0 "[ . 1 . 2]" 1
153 1 19 ILE H 1 19 ILE HB 1.800 . 3.230 2.422 2.409 2.447 . 0 0 "[ . 1 . 2]" 1
154 1 19 ILE H 1 19 ILE MD 1.800 . 4.030 3.406 3.374 3.439 . 0 0 "[ . 1 . 2]" 1
155 1 19 ILE H 1 19 ILE HG13 1.800 . 4.160 2.226 2.185 2.255 . 0 0 "[ . 1 . 2]" 1
156 1 19 ILE H 1 19 ILE HG12 1.800 . 4.160 3.599 3.561 3.633 . 0 0 "[ . 1 . 2]" 1
157 1 19 ILE H 1 19 ILE MG 1.800 . 4.580 3.754 3.747 3.764 . 0 0 "[ . 1 . 2]" 1
158 1 19 ILE H 1 20 LEU H 1.800 . 3.050 2.700 2.662 2.733 . 0 0 "[ . 1 . 2]" 1
159 1 19 ILE H 1 45 THR MG 1.800 . 5.200 4.673 4.187 5.219 0.019 4 0 "[ . 1 . 2]" 1
160 1 20 LEU HA 1 20 LEU MD1 1.800 . 4.740 3.826 3.801 3.840 . 0 0 "[ . 1 . 2]" 1
161 1 20 LEU HA 1 20 LEU MD2 1.800 . 3.490 2.170 2.137 2.252 . 0 0 "[ . 1 . 2]" 1
162 1 20 LEU HA 1 23 TRP QB 1.800 . 3.480 2.981 2.674 3.197 . 0 0 "[ . 1 . 2]" 1
163 1 20 LEU HA 1 23 TRP H 1.800 . 5.020 3.611 3.479 3.725 . 0 0 "[ . 1 . 2]" 1
164 1 20 LEU HA 1 41 LEU MD2 1.800 . 4.550 3.066 2.274 3.858 . 0 0 "[ . 1 . 2]" 1
165 1 20 LEU QB 1 20 LEU MD2 1.800 . 4.020 2.201 2.181 2.221 . 0 0 "[ . 1 . 2]" 1
166 1 20 LEU QB 1 55 TRP HZ2 1.800 . 5.910 3.491 2.956 4.164 . 0 0 "[ . 1 . 2]" 1
167 1 20 LEU HB3 1 20 LEU MD1 1.800 . 3.650 2.471 2.409 2.621 . 0 0 "[ . 1 . 2]" 1
168 1 20 LEU HB3 1 21 ARG H 1.800 . 4.970 3.536 3.400 3.609 . 0 0 "[ . 1 . 2]" 1
169 1 20 LEU HB2 1 20 LEU MD1 1.800 . 3.650 2.282 2.217 2.345 . 0 0 "[ . 1 . 2]" 1
170 1 20 LEU HB2 1 21 ARG H 1.800 . 4.970 2.583 2.530 2.665 . 0 0 "[ . 1 . 2]" 1
171 1 20 LEU MD1 1 21 ARG H 1.800 . 5.390 4.436 4.374 4.507 . 0 0 "[ . 1 . 2]" 1
172 1 20 LEU MD1 1 45 THR MG 1.800 . 4.570 2.786 2.285 3.566 . 0 0 "[ . 1 . 2]" 1
173 1 20 LEU MD1 1 47 LEU MD1 1.800 . 3.750 2.720 2.183 3.370 . 0 0 "[ . 1 . 2]" 1
174 1 20 LEU MD1 1 52 VAL HA 1.800 . 4.790 3.712 3.152 4.165 . 0 0 "[ . 1 . 2]" 1
175 1 20 LEU MD1 1 52 VAL MG2 1.800 . 4.460 3.136 2.774 3.601 . 0 0 "[ . 1 . 2]" 1
176 1 20 LEU MD1 1 55 TRP HB3 1.800 . 5.300 3.615 2.804 4.137 . 0 0 "[ . 1 . 2]" 1
177 1 20 LEU MD1 1 55 TRP HB2 1.800 . 5.300 4.310 3.312 4.867 . 0 0 "[ . 1 . 2]" 1
178 1 20 LEU MD1 1 55 TRP HE1 1.800 . 5.460 4.301 3.740 4.774 . 0 0 "[ . 1 . 2]" 1
179 1 20 LEU MD1 1 55 TRP HE3 1.800 . 5.330 3.231 2.773 3.752 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU MD1 1 55 TRP HZ3 1.800 . 5.980 3.737 2.937 4.867 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU MD2 1 41 LEU HA 1.800 . 5.520 3.887 3.466 4.436 . 0 0 "[ . 1 . 2]" 1
182 1 20 LEU MD2 1 41 LEU QB 1.800 . 4.410 2.373 2.088 2.803 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU MD2 1 41 LEU MD1 1.800 . 4.080 2.698 1.995 3.971 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU MD2 1 41 LEU MD2 1.800 . 3.750 2.241 1.965 2.904 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU MD2 1 42 SER HA 1.800 . 6.050 4.844 4.333 5.843 . 0 0 "[ . 1 . 2]" 1
186 1 20 LEU MD2 1 45 THR HB 1.800 . 6.050 4.613 4.066 5.905 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU MD2 1 45 THR MG 1.800 . 3.870 2.624 2.074 3.758 . 0 0 "[ . 1 . 2]" 1
188 1 20 LEU MD2 1 52 VAL HA 1.800 . 5.090 4.224 3.430 5.063 . 0 0 "[ . 1 . 2]" 1
189 1 20 LEU MD2 1 52 VAL MG1 1.800 . 4.840 2.709 2.084 3.421 . 0 0 "[ . 1 . 2]" 1
190 1 20 LEU MD2 1 52 VAL MG2 1.800 . 3.780 3.002 2.625 3.531 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU HG 1 21 ARG H 1.800 . 5.270 4.354 4.281 4.603 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU H 1 20 LEU MD1 1.800 . 4.490 3.421 3.226 3.502 . 0 0 "[ . 1 . 2]" 1
193 1 20 LEU H 1 20 LEU MD2 1.800 . 4.600 3.585 3.420 3.982 . 0 0 "[ . 1 . 2]" 1
194 1 20 LEU H 1 20 LEU HG 1.800 . 3.600 2.290 2.163 2.653 . 0 0 "[ . 1 . 2]" 1
195 1 20 LEU H 1 21 ARG QB 1.800 . 5.100 4.431 4.361 4.663 . 0 0 "[ . 1 . 2]" 1
196 1 20 LEU H 1 21 ARG H 1.800 . 3.790 2.653 2.605 2.707 . 0 0 "[ . 1 . 2]" 1
197 1 20 LEU H 1 45 THR MG 1.800 . 4.910 3.852 3.494 4.578 . 0 0 "[ . 1 . 2]" 1
198 1 21 ARG HA 1 21 ARG QD 1.800 . 5.140 4.059 3.955 4.198 . 0 0 "[ . 1 . 2]" 1
199 1 21 ARG HA 1 24 LEU QB 1.800 . 4.230 2.673 2.409 3.020 . 0 0 "[ . 1 . 2]" 1
200 1 21 ARG HA 1 24 LEU H 1.800 . 4.830 3.515 3.366 3.732 . 0 0 "[ . 1 . 2]" 1
201 1 21 ARG HA 1 25 TYR H 1.800 . 5.650 3.899 3.623 4.334 . 0 0 "[ . 1 . 2]" 1
202 1 21 ARG HA 1 55 TRP HH2 1.800 . 3.930 2.941 2.325 3.512 . 0 0 "[ . 1 . 2]" 1
203 1 21 ARG HA 1 55 TRP HZ2 1.800 . 4.930 4.465 2.704 4.953 0.023 13 0 "[ . 1 . 2]" 1
204 1 21 ARG QB 1 21 ARG QD 1.800 . 3.560 2.239 2.124 2.313 . 0 0 "[ . 1 . 2]" 1
205 1 21 ARG QB 1 21 ARG HE 1.800 . 4.280 2.900 2.146 4.156 . 0 0 "[ . 1 . 2]" 1
206 1 21 ARG QB 1 22 ASP H 1.800 . 3.760 2.522 2.450 2.598 . 0 0 "[ . 1 . 2]" 1
207 1 21 ARG QB 1 55 TRP HZ2 1.800 . 4.740 3.879 2.785 4.777 0.037 17 0 "[ . 1 . 2]" 1
208 1 21 ARG QD 1 63 LEU MD1 1.800 . 5.960 3.973 3.312 5.596 . 0 0 "[ . 1 . 2]" 1
209 1 21 ARG QD 1 63 LEU MD2 1.800 . 6.050 3.596 2.574 5.411 . 0 0 "[ . 1 . 2]" 1
210 1 21 ARG HE 1 63 LEU MD1 1.800 . 5.910 4.459 2.599 5.733 . 0 0 "[ . 1 . 2]" 1
211 1 21 ARG QG 1 55 TRP HZ2 1.800 . 5.270 4.724 2.451 5.314 0.044 16 0 "[ . 1 . 2]" 1
212 1 21 ARG QG 1 63 LEU MD1 1.800 . 4.800 2.742 2.282 4.152 . 0 0 "[ . 1 . 2]" 1
213 1 21 ARG H 1 21 ARG QB 1.800 . 3.390 2.273 2.244 2.379 . 0 0 "[ . 1 . 2]" 1
214 1 21 ARG H 1 21 ARG QG 1.800 . 5.370 3.807 2.252 3.984 . 0 0 "[ . 1 . 2]" 1
215 1 21 ARG H 1 55 TRP HH2 1.800 . 5.560 3.799 3.506 4.184 . 0 0 "[ . 1 . 2]" 1
216 1 21 ARG H 1 55 TRP HZ2 1.800 . 5.000 4.447 3.350 5.006 0.006 13 0 "[ . 1 . 2]" 1
217 1 22 ASP HA 1 25 TYR HB3 1.800 . 4.820 3.218 2.344 4.383 . 0 0 "[ . 1 . 2]" 1
218 1 22 ASP HA 1 25 TYR HB2 1.800 . 4.820 3.189 2.445 4.603 . 0 0 "[ . 1 . 2]" 1
219 1 22 ASP HA 1 25 TYR H 1.800 . 5.040 3.548 3.396 3.669 . 0 0 "[ . 1 . 2]" 1
220 1 22 ASP HA 1 26 GLU H 1.800 . 5.480 4.119 3.711 4.443 . 0 0 "[ . 1 . 2]" 1
221 1 22 ASP QB 1 23 TRP H 1.800 . 3.970 2.431 2.287 2.611 . 0 0 "[ . 1 . 2]" 1
222 1 22 ASP H 1 22 ASP QB 1.800 . 3.390 2.296 2.220 2.385 . 0 0 "[ . 1 . 2]" 1
223 1 22 ASP H 1 23 TRP H 1.800 . 3.950 2.782 2.673 2.869 . 0 0 "[ . 1 . 2]" 1
224 1 23 TRP HA 1 26 GLU HB3 1.800 . 5.440 4.596 4.350 4.795 . 0 0 "[ . 1 . 2]" 1
225 1 23 TRP HA 1 26 GLU HB2 1.800 . 5.440 3.400 2.756 5.132 . 0 0 "[ . 1 . 2]" 1
226 1 23 TRP HA 1 26 GLU H 1.800 . 4.950 3.670 3.465 4.327 . 0 0 "[ . 1 . 2]" 1
227 1 23 TRP QB 1 24 LEU H 1.800 . 3.840 2.449 2.331 2.576 . 0 0 "[ . 1 . 2]" 1
228 1 23 TRP QB 1 41 LEU MD1 1.800 . 5.120 3.498 2.797 4.455 . 0 0 "[ . 1 . 2]" 1
229 1 23 TRP QB 1 41 LEU MD2 1.800 . 4.250 2.554 2.098 3.787 . 0 0 "[ . 1 . 2]" 1
230 1 23 TRP HD1 1 41 LEU MD2 1.800 . 4.380 3.041 2.238 4.333 . 0 0 "[ . 1 . 2]" 1
231 1 23 TRP HE1 1 37 GLU QB 1.800 . 5.400 4.549 2.885 5.430 0.030 5 0 "[ . 1 . 2]" 1
232 1 23 TRP HE1 1 37 GLU QG 1.800 . 4.890 3.539 2.041 4.964 0.074 4 0 "[ . 1 . 2]" 1
233 1 23 TRP HE1 1 41 LEU MD1 1.800 . 5.390 3.620 2.639 4.828 . 0 0 "[ . 1 . 2]" 1
234 1 23 TRP HE1 1 41 LEU MD2 1.800 . 5.170 3.863 2.381 4.782 . 0 0 "[ . 1 . 2]" 1
235 1 23 TRP HE1 1 41 LEU HG 1.800 . 5.860 4.680 3.565 5.677 . 0 0 "[ . 1 . 2]" 1
236 1 23 TRP H 1 23 TRP HB3 1.800 . 3.900 2.642 2.409 3.584 . 0 0 "[ . 1 . 2]" 1
237 1 23 TRP H 1 23 TRP HB2 1.800 . 3.900 2.521 2.181 2.676 . 0 0 "[ . 1 . 2]" 1
238 1 23 TRP H 1 24 LEU H 1.800 . 4.070 2.732 2.625 2.977 . 0 0 "[ . 1 . 2]" 1
239 1 23 TRP HZ2 1 41 LEU MD1 1.800 . 5.420 4.751 3.650 5.582 0.162 13 0 "[ . 1 . 2]" 1
240 1 24 LEU HA 1 24 LEU MD1 1.800 . 3.790 2.169 2.086 2.951 . 0 0 "[ . 1 . 2]" 1
241 1 24 LEU HA 1 24 LEU MD2 1.800 . 4.820 3.802 3.602 3.829 . 0 0 "[ . 1 . 2]" 1
242 1 24 LEU HA 1 24 LEU HG 1.800 . 4.180 3.002 2.255 3.193 . 0 0 "[ . 1 . 2]" 1
243 1 24 LEU HA 1 27 HIS H 1.800 . 4.840 3.377 2.898 3.575 . 0 0 "[ . 1 . 2]" 1
244 1 24 LEU QB 1 25 TYR H 1.800 . 4.000 2.564 2.479 3.053 . 0 0 "[ . 1 . 2]" 1
245 1 24 LEU QB 1 55 TRP HZ3 1.800 . 4.890 3.824 2.893 4.724 . 0 0 "[ . 1 . 2]" 1
246 1 24 LEU QB 1 63 LEU MD1 1.800 . 4.830 3.372 2.859 3.798 . 0 0 "[ . 1 . 2]" 1
247 1 24 LEU HB3 1 24 LEU MD1 1.800 . 4.500 3.211 3.182 3.229 . 0 0 "[ . 1 . 2]" 1
248 1 24 LEU HB3 1 24 LEU MD2 1.800 . 3.980 2.351 2.220 2.434 . 0 0 "[ . 1 . 2]" 1
249 1 24 LEU HB2 1 24 LEU MD1 1.800 . 4.500 2.306 2.265 2.351 . 0 0 "[ . 1 . 2]" 1
250 1 24 LEU HB2 1 24 LEU MD2 1.800 . 3.980 2.372 2.297 2.546 . 0 0 "[ . 1 . 2]" 1
251 1 24 LEU MD1 1 31 ALA HA 1.800 . 5.210 4.101 3.056 5.307 0.097 5 0 "[ . 1 . 2]" 1
252 1 24 LEU MD1 1 31 ALA MB 1.800 . 4.160 2.921 1.933 4.119 . 0 0 "[ . 1 . 2]" 1
253 1 24 LEU MD1 1 55 TRP HZ3 1.800 . 4.930 4.454 2.150 5.014 0.084 1 0 "[ . 1 . 2]" 1
254 1 24 LEU MD1 1 59 ALA MB 1.800 . 5.000 4.700 3.692 5.065 0.065 20 0 "[ . 1 . 2]" 1
255 1 24 LEU MD1 1 60 ARG QB 1.800 . 4.610 3.882 3.060 4.642 0.032 5 0 "[ . 1 . 2]" 1
256 1 24 LEU MD2 1 25 TYR H 1.800 . 5.460 4.378 4.255 4.695 . 0 0 "[ . 1 . 2]" 1
257 1 24 LEU MD2 1 55 TRP HH2 1.800 . 4.220 3.431 2.888 3.856 . 0 0 "[ . 1 . 2]" 1
258 1 24 LEU MD2 1 55 TRP HZ2 1.800 . 5.400 5.051 4.549 5.429 0.029 10 0 "[ . 1 . 2]" 1
259 1 24 LEU MD2 1 55 TRP HZ3 1.800 . 4.720 3.592 2.450 4.229 . 0 0 "[ . 1 . 2]" 1
260 1 24 LEU MD2 1 56 PHE HA 1.800 . 5.320 4.468 3.647 5.223 . 0 0 "[ . 1 . 2]" 1
261 1 24 LEU MD2 1 59 ALA MB 1.800 . 3.420 3.165 2.726 3.459 0.039 2 0 "[ . 1 . 2]" 1
262 1 24 LEU MD2 1 60 ARG HA 1.800 . 3.920 2.573 2.157 3.012 . 0 0 "[ . 1 . 2]" 1
263 1 24 LEU MD2 1 60 ARG H 1.800 . 4.990 4.029 3.329 4.436 . 0 0 "[ . 1 . 2]" 1
264 1 24 LEU MD2 1 63 LEU QB 1.800 . 4.910 2.430 1.979 2.848 . 0 0 "[ . 1 . 2]" 1
265 1 24 LEU MD2 1 63 LEU HG 1.800 . 4.090 4.029 3.696 4.222 0.132 17 0 "[ . 1 . 2]" 1
266 1 24 LEU MD2 1 63 LEU H 1.800 . 5.650 4.364 3.814 4.825 . 0 0 "[ . 1 . 2]" 1
267 1 24 LEU MD2 1 64 LEU H 1.800 . 5.600 3.705 3.213 4.397 . 0 0 "[ . 1 . 2]" 1
268 1 24 LEU HG 1 25 TYR H 1.800 . 5.280 3.854 3.584 5.073 . 0 0 "[ . 1 . 2]" 1
269 1 24 LEU H 1 24 LEU HB3 1.800 . 3.970 2.639 2.455 3.575 . 0 0 "[ . 1 . 2]" 1
270 1 24 LEU H 1 24 LEU HB2 1.800 . 3.970 2.540 2.278 2.729 . 0 0 "[ . 1 . 2]" 1
271 1 24 LEU H 1 24 LEU MD1 1.800 . 5.070 3.832 1.824 4.173 . 0 0 "[ . 1 . 2]" 1
272 1 24 LEU H 1 24 LEU MD2 1.800 . 5.090 4.251 3.659 4.369 . 0 0 "[ . 1 . 2]" 1
273 1 24 LEU H 1 24 LEU HG 1.800 . 5.170 4.390 3.553 4.499 . 0 0 "[ . 1 . 2]" 1
274 1 24 LEU H 1 25 TYR H 1.800 . 4.260 2.690 2.578 3.104 . 0 0 "[ . 1 . 2]" 1
275 1 24 LEU H 1 55 TRP HH2 1.800 . 5.490 5.053 3.612 5.539 0.049 4 0 "[ . 1 . 2]" 1
276 1 24 LEU H 1 63 LEU MD1 1.800 . 6.050 5.430 4.695 6.050 . 0 0 "[ . 1 . 2]" 1
277 1 25 TYR HA 1 25 TYR QD 1.800 . 4.480 2.738 2.458 3.064 . 0 0 "[ . 1 . 2]" 1
278 1 25 TYR HA 1 25 TYR QE 1.800 . 5.390 4.501 4.282 4.658 . 0 0 "[ . 1 . 2]" 1
279 1 25 TYR HA 1 28 ARG QB 1.800 . 4.410 3.262 2.268 4.654 0.244 4 0 "[ . 1 . 2]" 1
280 1 25 TYR HA 1 28 ARG QD 1.800 . 5.150 3.472 2.302 4.969 . 0 0 "[ . 1 . 2]" 1
281 1 25 TYR QB 1 26 GLU QG 1.800 . 4.610 3.310 3.011 4.054 . 0 0 "[ . 1 . 2]" 1
282 1 25 TYR QB 1 63 LEU MD1 1.800 . 6.050 5.507 5.042 6.150 0.100 10 0 "[ . 1 . 2]" 1
283 1 25 TYR HB3 1 26 GLU H 1.800 . 4.660 2.762 2.384 3.469 . 0 0 "[ . 1 . 2]" 1
284 1 25 TYR HB2 1 26 GLU H 1.800 . 4.660 3.451 2.634 3.891 . 0 0 "[ . 1 . 2]" 1
285 1 25 TYR QD 1 26 GLU QG 1.800 . 5.210 3.878 2.451 5.416 0.206 17 0 "[ . 1 . 2]" 1
286 1 25 TYR QD 1 26 GLU H 1.800 . 5.210 3.617 2.964 4.409 . 0 0 "[ . 1 . 2]" 1
287 1 25 TYR QD 1 63 LEU MD1 1.800 . 6.000 5.303 3.736 6.061 0.061 1 0 "[ . 1 . 2]" 1
288 1 25 TYR QD 1 63 LEU MD2 1.800 . 5.650 5.355 4.566 5.732 0.082 3 0 "[ . 1 . 2]" 1
289 1 25 TYR H 1 25 TYR HB3 1.800 . 3.970 2.891 2.483 3.550 . 0 0 "[ . 1 . 2]" 1
290 1 25 TYR H 1 25 TYR HB2 1.800 . 3.970 2.450 2.198 2.818 . 0 0 "[ . 1 . 2]" 1
291 1 25 TYR H 1 25 TYR QD 1.800 . 5.380 3.494 2.062 4.368 . 0 0 "[ . 1 . 2]" 1
292 1 25 TYR H 1 26 GLU QG 1.800 . 5.370 4.301 3.742 4.549 . 0 0 "[ . 1 . 2]" 1
293 1 25 TYR H 1 26 GLU H 1.800 . 4.150 2.764 2.659 2.884 . 0 0 "[ . 1 . 2]" 1
294 1 26 GLU HB3 1 27 HIS H 1.800 . 4.530 3.733 3.394 4.208 . 0 0 "[ . 1 . 2]" 1
295 1 26 GLU HB2 1 27 HIS H 1.800 . 4.530 2.920 2.432 4.042 . 0 0 "[ . 1 . 2]" 1
296 1 26 GLU H 1 26 GLU HB3 1.800 . 4.070 3.416 2.525 3.617 . 0 0 "[ . 1 . 2]" 1
297 1 26 GLU H 1 26 GLU HB2 1.800 . 4.070 2.659 2.365 3.625 . 0 0 "[ . 1 . 2]" 1
298 1 26 GLU H 1 26 GLU HG3 1.800 . 4.430 2.891 2.194 3.610 . 0 0 "[ . 1 . 2]" 1
299 1 26 GLU H 1 26 GLU HG2 1.800 . 4.430 2.756 1.791 3.630 0.009 12 0 "[ . 1 . 2]" 1
300 1 26 GLU H 1 27 HIS H 1.800 . 3.750 2.613 2.408 2.749 . 0 0 "[ . 1 . 2]" 1
301 1 27 HIS HA 1 30 ASN H 1.800 . 5.420 3.830 2.824 5.451 0.031 17 0 "[ . 1 . 2]" 1
302 1 27 HIS H 1 27 HIS QB 1.800 . 3.740 2.501 2.267 3.235 . 0 0 "[ . 1 . 2]" 1
303 1 27 HIS H 1 28 ARG H 1.800 . 3.950 2.966 2.588 3.425 . 0 0 "[ . 1 . 2]" 1
304 1 28 ARG HA 1 31 ALA MB 1.800 . 4.440 3.488 2.200 4.501 0.061 13 0 "[ . 1 . 2]" 1
305 1 28 ARG HA 1 64 LEU MD1 1.800 . 4.370 3.366 2.145 4.368 . 0 0 "[ . 1 . 2]" 1
306 1 28 ARG QB 1 29 TYR H 1.800 . 4.300 2.858 1.757 3.585 0.043 17 0 "[ . 1 . 2]" 1
307 1 28 ARG QB 1 64 LEU MD1 1.800 . 4.530 3.302 2.075 4.603 0.073 19 0 "[ . 1 . 2]" 1
308 1 28 ARG QG 1 29 TYR H 1.800 . 4.860 2.885 1.900 4.164 . 0 0 "[ . 1 . 2]" 1
309 1 28 ARG H 1 28 ARG QG 1.800 . 4.510 2.505 1.760 4.085 0.040 14 0 "[ . 1 . 2]" 1
310 1 28 ARG H 1 29 TYR H 1.800 . 4.760 3.180 2.562 4.666 . 0 0 "[ . 1 . 2]" 1
311 1 29 TYR HA 1 29 TYR QD 1.800 . 4.280 2.616 2.289 2.906 . 0 0 "[ . 1 . 2]" 1
312 1 29 TYR HA 1 68 LEU MD2 1.800 . 6.050 4.777 3.418 6.087 0.037 15 0 "[ . 1 . 2]" 1
313 1 29 TYR QB 1 30 ASN H 1.800 . 4.600 2.387 1.762 3.169 0.038 3 0 "[ . 1 . 2]" 1
314 1 29 TYR QE 1 68 LEU MD2 1.800 . 4.730 4.181 2.307 4.777 0.047 10 0 "[ . 1 . 2]" 1
315 1 29 TYR H 1 29 TYR QB 1.800 . 3.690 2.550 2.216 3.298 . 0 0 "[ . 1 . 2]" 1
316 1 29 TYR H 1 29 TYR QD 1.800 . 4.460 3.121 2.084 4.312 . 0 0 "[ . 1 . 2]" 1
317 1 29 TYR H 1 30 ASN H 1.800 . 3.840 2.945 2.233 4.055 0.215 17 0 "[ . 1 . 2]" 1
318 1 30 ASN HA 1 31 ALA MB 1.800 . 5.030 4.406 4.105 4.711 . 0 0 "[ . 1 . 2]" 1
319 1 30 ASN HA 1 31 ALA H 1.800 . 3.820 3.016 2.172 3.573 . 0 0 "[ . 1 . 2]" 1
320 1 30 ASN HA 1 32 TYR QD 1.800 . 5.200 3.586 2.419 5.369 0.169 18 0 "[ . 1 . 2]" 1
321 1 30 ASN QB 1 31 ALA H 1.800 . 4.300 3.084 1.728 4.050 0.072 16 0 "[ . 1 . 2]" 1
322 1 30 ASN H 1 31 ALA MB 1.800 . 5.240 4.338 3.681 5.178 . 0 0 "[ . 1 . 2]" 1
323 1 30 ASN H 1 31 ALA H 1.800 . 4.610 3.256 2.262 4.413 . 0 0 "[ . 1 . 2]" 1
324 1 31 ALA MB 1 32 TYR H 1.800 . 4.300 3.403 1.746 3.738 0.054 4 0 "[ . 1 . 2]" 1
325 1 31 ALA MB 1 60 ARG QD 1.800 . 4.430 3.183 2.133 4.396 . 0 0 "[ . 1 . 2]" 1
326 1 31 ALA MB 1 60 ARG HE 1.800 . 6.050 4.896 3.268 6.118 0.068 6 0 "[ . 1 . 2]" 1
327 1 31 ALA MB 1 64 LEU MD1 1.800 . 4.610 3.526 1.977 4.636 0.026 11 0 "[ . 1 . 2]" 1
328 1 31 ALA MB 1 64 LEU MD2 1.800 . 4.700 3.740 2.411 4.752 0.052 4 0 "[ . 1 . 2]" 1
329 1 31 ALA H 1 32 TYR QD 1.800 . 5.210 3.781 2.475 5.376 0.166 18 0 "[ . 1 . 2]" 1
330 1 31 ALA H 1 32 TYR H 1.800 . 5.150 3.467 2.481 4.469 . 0 0 "[ . 1 . 2]" 1
331 1 32 TYR HA 1 32 TYR QD 1.800 . 4.490 3.120 2.330 3.708 . 0 0 "[ . 1 . 2]" 1
332 1 32 TYR HA 1 33 PRO QD 1.800 . 3.670 2.163 2.060 2.365 . 0 0 "[ . 1 . 2]" 1
333 1 32 TYR H 1 32 TYR QD 1.800 . 4.850 2.707 1.804 4.381 . 0 0 "[ . 1 . 2]" 1
334 1 33 PRO HA 1 34 SER H 1.800 . 3.830 2.342 2.199 3.122 . 0 0 "[ . 1 . 2]" 1
335 1 33 PRO HA 1 37 GLU QB 1.800 . 5.200 3.714 2.129 5.015 . 0 0 "[ . 1 . 2]" 1
336 1 33 PRO QB 1 38 LYS QD 1.800 . 4.800 4.363 3.917 4.839 0.039 4 0 "[ . 1 . 2]" 1
337 1 34 SER HA 1 35 GLU H 1.800 . 3.520 2.398 2.219 2.682 . 0 0 "[ . 1 . 2]" 1
338 1 34 SER QB 1 35 GLU H 1.800 . 3.810 2.749 1.928 3.610 . 0 0 "[ . 1 . 2]" 1
339 1 34 SER QB 1 36 GLN H 1.800 . 4.170 3.023 2.462 3.834 . 0 0 "[ . 1 . 2]" 1
340 1 34 SER QB 1 37 GLU H 1.800 . 4.330 3.044 2.409 3.864 . 0 0 "[ . 1 . 2]" 1
341 1 34 SER H 1 37 GLU HB3 1.800 . 4.830 3.480 1.865 4.897 0.067 10 0 "[ . 1 . 2]" 1
342 1 34 SER H 1 37 GLU HB2 1.800 . 4.830 3.263 1.812 4.799 . 0 0 "[ . 1 . 2]" 1
343 1 34 SER H 1 37 GLU QG 1.800 . 5.290 4.145 2.877 5.307 0.017 10 0 "[ . 1 . 2]" 1
344 1 34 SER H 1 37 GLU H 1.800 . 4.790 3.947 3.239 4.676 . 0 0 "[ . 1 . 2]" 1
345 1 35 GLU HA 1 38 LYS QB 1.800 . 4.680 2.742 2.336 4.104 . 0 0 "[ . 1 . 2]" 1
346 1 35 GLU HA 1 38 LYS QD 1.800 . 5.420 3.011 2.170 4.688 . 0 0 "[ . 1 . 2]" 1
347 1 35 GLU HA 1 38 LYS QE 1.800 . 4.990 4.437 2.345 5.011 0.021 17 0 "[ . 1 . 2]" 1
348 1 35 GLU HA 1 38 LYS H 1.800 . 5.280 3.572 3.236 4.080 . 0 0 "[ . 1 . 2]" 1
349 1 35 GLU HA 1 39 ALA H 1.800 . 5.280 3.813 3.367 4.203 . 0 0 "[ . 1 . 2]" 1
350 1 35 GLU QB 1 36 GLN H 1.800 . 3.500 2.624 2.453 2.929 . 0 0 "[ . 1 . 2]" 1
351 1 35 GLU QG 1 36 GLN H 1.800 . 4.930 4.075 3.716 4.538 . 0 0 "[ . 1 . 2]" 1
352 1 35 GLU H 1 35 GLU QB 1.800 . 3.540 2.378 2.239 2.489 . 0 0 "[ . 1 . 2]" 1
353 1 35 GLU H 1 35 GLU QG 1.800 . 4.370 2.656 1.996 4.069 . 0 0 "[ . 1 . 2]" 1
354 1 35 GLU H 1 36 GLN H 1.800 . 3.780 2.661 2.550 2.848 . 0 0 "[ . 1 . 2]" 1
355 1 36 GLN HA 1 36 GLN QE 1.800 . 4.800 4.166 3.077 4.866 0.066 20 0 "[ . 1 . 2]" 1
356 1 36 GLN HA 1 36 GLN QG 1.800 . 3.850 2.535 2.306 3.304 . 0 0 "[ . 1 . 2]" 1
357 1 36 GLN HA 1 39 ALA MB 1.800 . 3.590 2.731 2.394 3.217 . 0 0 "[ . 1 . 2]" 1
358 1 36 GLN HA 1 39 ALA H 1.800 . 4.370 3.661 3.464 4.027 . 0 0 "[ . 1 . 2]" 1
359 1 36 GLN QB 1 36 GLN QE 1.800 . 4.990 3.209 1.995 3.699 . 0 0 "[ . 1 . 2]" 1
360 1 36 GLN QB 1 37 GLU H 1.800 . 3.810 2.506 2.135 3.350 . 0 0 "[ . 1 . 2]" 1
361 1 36 GLN QG 1 37 GLU H 1.800 . 5.030 3.724 1.830 4.410 . 0 0 "[ . 1 . 2]" 1
362 1 36 GLN QG 1 39 ALA MB 1.800 . 4.720 4.194 3.315 4.902 0.182 13 0 "[ . 1 . 2]" 1
363 1 36 GLN H 1 36 GLN QB 1.800 . 3.360 2.325 2.243 2.435 . 0 0 "[ . 1 . 2]" 1
364 1 36 GLN H 1 36 GLN QG 1.800 . 4.810 3.233 2.110 4.077 . 0 0 "[ . 1 . 2]" 1
365 1 36 GLN H 1 37 GLU H 1.800 . 3.940 2.679 2.460 2.803 . 0 0 "[ . 1 . 2]" 1
366 1 37 GLU HA 1 37 GLU QG 1.800 . 3.730 2.460 2.255 2.858 . 0 0 "[ . 1 . 2]" 1
367 1 37 GLU HA 1 40 LEU QB 1.800 . 3.930 2.863 2.343 3.336 . 0 0 "[ . 1 . 2]" 1
368 1 37 GLU HA 1 40 LEU MD1 1.800 . 4.690 4.015 2.671 4.916 0.226 14 0 "[ . 1 . 2]" 1
369 1 37 GLU HA 1 40 LEU H 1.800 . 4.210 3.565 3.350 3.815 . 0 0 "[ . 1 . 2]" 1
370 1 37 GLU HA 1 41 LEU H 1.800 . 5.160 4.142 3.607 4.511 . 0 0 "[ . 1 . 2]" 1
371 1 37 GLU HB3 1 38 LYS H 1.800 . 4.480 2.949 2.333 3.624 . 0 0 "[ . 1 . 2]" 1
372 1 37 GLU HB2 1 38 LYS H 1.800 . 4.480 3.181 2.409 3.895 . 0 0 "[ . 1 . 2]" 1
373 1 37 GLU QG 1 38 LYS H 1.800 . 5.360 3.968 3.542 4.473 . 0 0 "[ . 1 . 2]" 1
374 1 37 GLU H 1 37 GLU QG 1.800 . 4.040 3.503 2.177 4.070 0.030 8 0 "[ . 1 . 2]" 1
375 1 37 GLU H 1 38 LYS H 1.800 . 4.000 2.659 2.570 2.811 . 0 0 "[ . 1 . 2]" 1
376 1 38 LYS HA 1 38 LYS QG 1.800 . 3.860 2.457 2.290 3.315 . 0 0 "[ . 1 . 2]" 1
377 1 38 LYS HA 1 41 LEU QB 1.800 . 4.290 2.718 2.293 3.035 . 0 0 "[ . 1 . 2]" 1
378 1 38 LYS HA 1 41 LEU MD1 1.800 . 4.480 2.825 2.308 4.029 . 0 0 "[ . 1 . 2]" 1
379 1 38 LYS HA 1 41 LEU H 1.800 . 5.280 3.539 3.308 3.757 . 0 0 "[ . 1 . 2]" 1
380 1 38 LYS HA 1 49 THR MG 1.800 . 5.610 4.721 4.158 5.566 . 0 0 "[ . 1 . 2]" 1
381 1 38 LYS HA 1 52 VAL MG1 1.800 . 5.120 3.193 2.735 3.969 . 0 0 "[ . 1 . 2]" 1
382 1 38 LYS QB 1 38 LYS QE 1.800 . 4.910 3.169 2.102 3.651 . 0 0 "[ . 1 . 2]" 1
383 1 38 LYS QB 1 39 ALA H 1.800 . 3.980 2.628 2.440 3.505 . 0 0 "[ . 1 . 2]" 1
384 1 38 LYS QB 1 49 THR MG 1.800 . 3.610 2.756 2.244 3.660 0.050 19 0 "[ . 1 . 2]" 1
385 1 38 LYS QD 1 49 THR HB 1.800 . 6.050 4.998 2.811 6.191 0.141 7 0 "[ . 1 . 2]" 1
386 1 38 LYS QD 1 49 THR MG 1.800 . 4.200 3.339 2.091 4.285 0.085 11 0 "[ . 1 . 2]" 1
387 1 38 LYS QE 1 49 THR MG 1.800 . 5.200 4.241 2.114 5.248 0.048 14 0 "[ . 1 . 2]" 1
388 1 38 LYS QE 1 38 LYS QG 1.800 . 3.640 2.235 2.118 2.344 . 0 0 "[ . 1 . 2]" 1
389 1 38 LYS QG 1 39 ALA H 1.800 . 5.170 3.858 1.844 4.157 . 0 0 "[ . 1 . 2]" 1
390 1 38 LYS H 1 38 LYS QB 1.800 . 3.720 2.384 2.267 2.519 . 0 0 "[ . 1 . 2]" 1
391 1 38 LYS H 1 38 LYS QG 1.800 . 4.000 2.321 1.929 3.972 . 0 0 "[ . 1 . 2]" 1
392 1 38 LYS H 1 39 ALA H 1.800 . 3.770 2.672 2.590 2.755 . 0 0 "[ . 1 . 2]" 1
393 1 39 ALA HA 1 42 SER QB 1.800 . 4.600 2.917 2.355 3.643 . 0 0 "[ . 1 . 2]" 1
394 1 39 ALA HA 1 43 GLN H 1.800 . 5.280 4.074 3.665 4.459 . 0 0 "[ . 1 . 2]" 1
395 1 39 ALA HA 1 49 THR MG 1.800 . 4.670 3.896 3.023 4.691 0.021 13 0 "[ . 1 . 2]" 1
396 1 39 ALA MB 1 40 LEU H 1.800 . 3.540 2.454 2.311 2.585 . 0 0 "[ . 1 . 2]" 1
397 1 39 ALA H 1 39 ALA MB 1.800 . 3.170 2.237 2.196 2.253 . 0 0 "[ . 1 . 2]" 1
398 1 39 ALA H 1 40 LEU H 1.800 . 3.750 2.706 2.552 2.845 . 0 0 "[ . 1 . 2]" 1
399 1 39 ALA H 1 49 THR MG 1.800 . 5.190 4.582 4.128 5.161 . 0 0 "[ . 1 . 2]" 1
400 1 40 LEU HA 1 40 LEU MD2 1.800 . 3.900 3.116 2.187 3.864 . 0 0 "[ . 1 . 2]" 1
401 1 40 LEU HA 1 43 GLN QB 1.800 . 3.940 3.006 2.649 4.032 0.092 11 0 "[ . 1 . 2]" 1
402 1 40 LEU HA 1 43 GLN H 1.800 . 4.550 3.619 3.426 3.818 . 0 0 "[ . 1 . 2]" 1
403 1 40 LEU QB 1 40 LEU MD1 1.800 . 3.750 2.133 2.084 2.294 . 0 0 "[ . 1 . 2]" 1
404 1 40 LEU QB 1 40 LEU MD2 1.800 . 3.670 2.178 2.085 2.302 . 0 0 "[ . 1 . 2]" 1
405 1 40 LEU QB 1 41 LEU H 1.800 . 3.950 2.413 2.187 2.660 . 0 0 "[ . 1 . 2]" 1
406 1 40 LEU MD2 1 41 LEU H 1.800 . 4.850 3.511 2.749 4.742 . 0 0 "[ . 1 . 2]" 1
407 1 40 LEU MD2 1 44 GLN HE21 1.800 . 5.150 3.887 1.784 5.231 0.081 7 0 "[ . 1 . 2]" 1
408 1 40 LEU MD2 1 44 GLN HE22 1.800 . 5.150 3.968 2.244 5.231 0.081 16 0 "[ . 1 . 2]" 1
409 1 40 LEU MD2 1 44 GLN QG 1.800 . 4.460 3.584 2.195 4.514 0.054 1 0 "[ . 1 . 2]" 1
410 1 40 LEU H 1 40 LEU QB 1.800 . 3.290 2.226 2.164 2.361 . 0 0 "[ . 1 . 2]" 1
411 1 40 LEU H 1 40 LEU MD1 1.800 . 4.420 4.013 2.092 4.334 . 0 0 "[ . 1 . 2]" 1
412 1 40 LEU H 1 40 LEU MD2 1.800 . 5.130 4.143 3.658 4.314 . 0 0 "[ . 1 . 2]" 1
413 1 40 LEU H 1 40 LEU HG 1.800 . 4.910 4.146 2.301 4.491 . 0 0 "[ . 1 . 2]" 1
414 1 40 LEU H 1 41 LEU H 1.800 . 3.860 2.720 2.660 2.838 . 0 0 "[ . 1 . 2]" 1
415 1 41 LEU HA 1 41 LEU MD1 1.800 . 4.930 3.673 2.320 3.836 . 0 0 "[ . 1 . 2]" 1
416 1 41 LEU HA 1 41 LEU MD2 1.800 . 3.480 2.317 2.132 3.743 0.263 10 0 "[ . 1 . 2]" 1
417 1 41 LEU HA 1 44 GLN HB3 1.800 . 4.620 3.832 2.386 4.594 . 0 0 "[ . 1 . 2]" 1
418 1 41 LEU HA 1 44 GLN HB2 1.800 . 4.620 2.889 2.486 3.583 . 0 0 "[ . 1 . 2]" 1
419 1 41 LEU HA 1 45 THR MG 1.800 . 5.220 3.760 2.757 4.511 . 0 0 "[ . 1 . 2]" 1
420 1 41 LEU HA 1 45 THR H 1.800 . 4.910 4.000 3.301 4.410 . 0 0 "[ . 1 . 2]" 1
421 1 41 LEU QB 1 41 LEU MD1 1.800 . 3.730 2.124 2.088 2.295 . 0 0 "[ . 1 . 2]" 1
422 1 41 LEU QB 1 41 LEU MD2 1.800 . 3.660 2.195 2.095 2.223 . 0 0 "[ . 1 . 2]" 1
423 1 41 LEU QB 1 42 SER H 1.800 . 4.130 2.558 2.448 2.667 . 0 0 "[ . 1 . 2]" 1
424 1 41 LEU MD1 1 52 VAL MG1 1.800 . 4.800 3.109 2.205 4.767 . 0 0 "[ . 1 . 2]" 1
425 1 41 LEU MD2 1 42 SER H 1.800 . 5.350 4.701 4.643 4.738 . 0 0 "[ . 1 . 2]" 1
426 1 41 LEU MD2 1 44 GLN QB 1.800 . 5.170 3.678 3.325 5.153 . 0 0 "[ . 1 . 2]" 1
427 1 41 LEU HG 1 42 SER H 1.800 . 5.220 4.420 4.262 5.079 . 0 0 "[ . 1 . 2]" 1
428 1 41 LEU H 1 41 LEU MD1 1.800 . 4.990 3.301 1.876 3.513 . 0 0 "[ . 1 . 2]" 1
429 1 41 LEU H 1 41 LEU MD2 1.800 . 5.120 3.562 3.408 3.837 . 0 0 "[ . 1 . 2]" 1
430 1 41 LEU H 1 41 LEU HG 1.800 . 4.080 2.431 2.159 3.904 . 0 0 "[ . 1 . 2]" 1
431 1 41 LEU H 1 42 SER H 1.800 . 4.580 2.650 2.565 2.715 . 0 0 "[ . 1 . 2]" 1
432 1 42 SER HA 1 45 THR HG1 1.800 . 4.300 2.841 2.294 3.498 . 0 0 "[ . 1 . 2]" 1
433 1 42 SER HA 1 47 LEU QB 1.800 . 5.260 3.802 2.912 4.345 . 0 0 "[ . 1 . 2]" 1
434 1 42 SER HA 1 47 LEU H 1.800 . 4.390 3.721 2.961 4.379 . 0 0 "[ . 1 . 2]" 1
435 1 42 SER HA 1 52 VAL MG1 1.800 . 4.940 4.141 3.473 4.991 0.051 13 0 "[ . 1 . 2]" 1
436 1 42 SER HA 1 52 VAL MG2 1.800 . 3.940 2.621 2.284 3.255 . 0 0 "[ . 1 . 2]" 1
437 1 42 SER QB 1 43 GLN H 1.800 . 3.730 2.960 2.373 3.449 . 0 0 "[ . 1 . 2]" 1
438 1 42 SER QB 1 49 THR MG 1.800 . 4.230 3.410 2.446 4.263 0.033 6 0 "[ . 1 . 2]" 1
439 1 42 SER QB 1 52 VAL HB 1.800 . 5.150 4.227 3.411 5.132 . 0 0 "[ . 1 . 2]" 1
440 1 42 SER QB 1 52 VAL MG1 1.800 . 4.930 4.094 3.268 4.914 . 0 0 "[ . 1 . 2]" 1
441 1 42 SER QB 1 52 VAL MG2 1.800 . 4.250 3.091 2.290 3.870 . 0 0 "[ . 1 . 2]" 1
442 1 42 SER H 1 42 SER QB 1.800 . 3.580 2.420 2.210 2.522 . 0 0 "[ . 1 . 2]" 1
443 1 42 SER H 1 43 GLN H 1.800 . 3.830 2.709 2.613 2.791 . 0 0 "[ . 1 . 2]" 1
444 1 42 SER H 1 52 VAL HB 1.800 . 6.050 5.370 4.744 5.831 . 0 0 "[ . 1 . 2]" 1
445 1 42 SER H 1 52 VAL MG1 1.800 . 5.330 3.955 3.356 4.551 . 0 0 "[ . 1 . 2]" 1
446 1 42 SER H 1 52 VAL MG2 1.800 . 4.730 3.846 3.295 4.357 . 0 0 "[ . 1 . 2]" 1
447 1 43 GLN HA 1 43 GLN QE 1.800 . 5.050 4.175 2.918 5.153 0.103 11 0 "[ . 1 . 2]" 1
448 1 43 GLN HA 1 43 GLN HG3 1.800 . 4.390 2.861 2.402 3.725 . 0 0 "[ . 1 . 2]" 1
449 1 43 GLN HA 1 43 GLN HG2 1.800 . 4.390 3.071 2.447 3.725 . 0 0 "[ . 1 . 2]" 1
450 1 43 GLN QB 1 43 GLN QE 1.800 . 4.940 3.473 2.838 3.718 . 0 0 "[ . 1 . 2]" 1
451 1 43 GLN QB 1 43 GLN QG 1.800 . 2.430 2.081 2.026 2.111 . 0 0 "[ . 1 . 2]" 1
452 1 43 GLN QB 1 44 GLN H 1.800 . 4.160 2.595 2.413 3.400 . 0 0 "[ . 1 . 2]" 1
453 1 43 GLN H 1 43 GLN QB 1.800 . 3.380 2.302 2.049 2.440 . 0 0 "[ . 1 . 2]" 1
454 1 43 GLN H 1 43 GLN QG 1.800 . 4.000 3.302 2.147 4.070 0.070 2 0 "[ . 1 . 2]" 1
455 1 43 GLN H 1 44 GLN H 1.800 . 3.770 2.614 2.469 2.687 . 0 0 "[ . 1 . 2]" 1
456 1 44 GLN HA 1 44 GLN QG 1.800 . 3.710 2.490 2.321 2.876 . 0 0 "[ . 1 . 2]" 1
457 1 44 GLN HB3 1 45 THR MG 1.800 . 5.410 3.158 2.548 3.578 . 0 0 "[ . 1 . 2]" 1
458 1 44 GLN HB3 1 45 THR H 1.800 . 4.410 3.271 2.533 3.657 . 0 0 "[ . 1 . 2]" 1
459 1 44 GLN HB2 1 45 THR MG 1.800 . 5.410 3.245 2.684 4.572 . 0 0 "[ . 1 . 2]" 1
460 1 44 GLN HB2 1 45 THR H 1.800 . 4.410 2.958 2.489 3.844 . 0 0 "[ . 1 . 2]" 1
461 1 44 GLN HG3 1 45 THR H 1.800 . 5.570 4.406 3.910 4.908 . 0 0 "[ . 1 . 2]" 1
462 1 44 GLN HG2 1 45 THR H 1.800 . 5.570 4.718 3.784 5.026 . 0 0 "[ . 1 . 2]" 1
463 1 44 GLN H 1 44 GLN QG 1.800 . 4.150 2.775 2.042 4.077 . 0 0 "[ . 1 . 2]" 1
464 1 44 GLN H 1 45 THR H 1.800 . 4.110 2.663 2.576 2.729 . 0 0 "[ . 1 . 2]" 1
465 1 45 THR HA 1 45 THR MG 1.800 . 3.450 2.390 2.238 2.472 . 0 0 "[ . 1 . 2]" 1
466 1 45 THR HB 1 47 LEU MD1 1.800 . 4.350 2.860 2.256 3.414 . 0 0 "[ . 1 . 2]" 1
467 1 45 THR HB 1 47 LEU MD2 1.800 . 5.170 4.263 3.594 5.057 . 0 0 "[ . 1 . 2]" 1
468 1 45 THR HB 1 47 LEU HG 1.800 . 4.260 2.720 2.328 3.576 . 0 0 "[ . 1 . 2]" 1
469 1 45 THR HG1 1 46 HIS H 1.800 . 5.080 3.419 2.660 3.819 . 0 0 "[ . 1 . 2]" 1
470 1 45 THR HG1 1 47 LEU H 1.800 . 4.310 2.778 1.783 3.566 0.017 11 0 "[ . 1 . 2]" 1
471 1 45 THR HG1 1 52 VAL MG2 1.800 . 4.660 2.929 2.221 3.490 . 0 0 "[ . 1 . 2]" 1
472 1 45 THR MG 1 46 HIS H 1.800 . 4.830 3.836 3.468 4.178 . 0 0 "[ . 1 . 2]" 1
473 1 45 THR H 1 45 THR HG1 1.800 . 3.520 2.206 1.844 2.606 . 0 0 "[ . 1 . 2]" 1
474 1 45 THR H 1 45 THR MG 1.800 . 3.730 2.357 2.148 2.744 . 0 0 "[ . 1 . 2]" 1
475 1 45 THR H 1 46 HIS H 1.800 . 4.570 3.708 2.163 4.554 . 0 0 "[ . 1 . 2]" 1
476 1 45 THR H 1 52 VAL MG2 1.800 . 5.940 4.950 4.419 5.313 . 0 0 "[ . 1 . 2]" 1
477 1 46 HIS QB 1 47 LEU H 1.800 . 4.300 3.764 3.462 4.046 . 0 0 "[ . 1 . 2]" 1
478 1 47 LEU HA 1 47 LEU MD1 1.800 . 5.070 3.814 3.803 3.827 . 0 0 "[ . 1 . 2]" 1
479 1 47 LEU HA 1 47 LEU MD2 1.800 . 3.430 2.124 2.104 2.190 . 0 0 "[ . 1 . 2]" 1
480 1 47 LEU HA 1 48 SER H 1.800 . 3.490 2.319 2.236 2.448 . 0 0 "[ . 1 . 2]" 1
481 1 47 LEU QB 1 51 GLN QB 1.800 . 4.730 2.485 2.208 2.879 . 0 0 "[ . 1 . 2]" 1
482 1 47 LEU QB 1 51 GLN QG 1.800 . 5.170 3.687 2.563 4.684 . 0 0 "[ . 1 . 2]" 1
483 1 47 LEU HB3 1 47 LEU MD1 1.800 . 4.160 2.383 2.315 2.472 . 0 0 "[ . 1 . 2]" 1
484 1 47 LEU HB3 1 47 LEU MD2 1.800 . 4.070 2.277 2.214 2.329 . 0 0 "[ . 1 . 2]" 1
485 1 47 LEU HB3 1 48 SER H 1.800 . 4.490 2.679 2.395 2.934 . 0 0 "[ . 1 . 2]" 1
486 1 47 LEU HB3 1 51 GLN QB 1.800 . 5.300 2.521 2.234 2.927 . 0 0 "[ . 1 . 2]" 1
487 1 47 LEU HB2 1 47 LEU MD1 1.800 . 4.160 2.339 2.243 2.408 . 0 0 "[ . 1 . 2]" 1
488 1 47 LEU HB2 1 47 LEU MD2 1.800 . 4.070 3.213 3.209 3.220 . 0 0 "[ . 1 . 2]" 1
489 1 47 LEU HB2 1 48 SER H 1.800 . 4.490 3.775 3.553 4.011 . 0 0 "[ . 1 . 2]" 1
490 1 47 LEU HB2 1 51 GLN QB 1.800 . 5.300 3.794 3.350 4.264 . 0 0 "[ . 1 . 2]" 1
491 1 47 LEU MD1 1 48 SER H 1.800 . 5.300 4.614 4.409 4.794 . 0 0 "[ . 1 . 2]" 1
492 1 47 LEU MD1 1 51 GLN HB3 1.800 . 5.350 3.564 3.079 4.188 . 0 0 "[ . 1 . 2]" 1
493 1 47 LEU MD1 1 51 GLN HB2 1.800 . 5.350 4.204 3.638 5.313 . 0 0 "[ . 1 . 2]" 1
494 1 47 LEU MD1 1 52 VAL HA 1.800 . 5.370 4.127 3.712 4.490 . 0 0 "[ . 1 . 2]" 1
495 1 47 LEU MD2 1 48 SER H 1.800 . 4.400 3.344 3.092 3.503 . 0 0 "[ . 1 . 2]" 1
496 1 47 LEU MD2 1 51 GLN HB3 1.800 . 4.850 3.741 2.851 4.278 . 0 0 "[ . 1 . 2]" 1
497 1 47 LEU MD2 1 51 GLN HB2 1.800 . 4.850 3.967 2.922 4.861 0.011 9 0 "[ . 1 . 2]" 1
498 1 47 LEU MD2 1 51 GLN QE 1.800 . 4.330 3.427 2.016 4.404 0.074 3 0 "[ . 1 . 2]" 1
499 1 47 LEU MD2 1 51 GLN HE21 1.800 . 5.240 4.022 2.685 5.277 0.037 17 0 "[ . 1 . 2]" 1
500 1 47 LEU MD2 1 51 GLN HE22 1.800 . 5.240 4.124 2.050 5.322 0.082 12 0 "[ . 1 . 2]" 1
501 1 47 LEU MD2 1 51 GLN QG 1.800 . 4.740 3.711 2.262 4.756 0.016 6 0 "[ . 1 . 2]" 1
502 1 47 LEU H 1 47 LEU MD1 1.800 . 4.710 3.737 3.549 3.921 . 0 0 "[ . 1 . 2]" 1
503 1 47 LEU H 1 47 LEU MD2 1.800 . 4.740 3.601 3.359 4.126 . 0 0 "[ . 1 . 2]" 1
504 1 47 LEU H 1 47 LEU HG 1.800 . 4.050 2.533 2.254 3.064 . 0 0 "[ . 1 . 2]" 1
505 1 47 LEU H 1 48 SER H 1.800 . 5.280 4.580 4.509 4.662 . 0 0 "[ . 1 . 2]" 1
506 1 48 SER HA 1 49 THR H 1.800 . 3.370 2.393 2.302 2.510 . 0 0 "[ . 1 . 2]" 1
507 1 48 SER HA 1 50 LEU H 1.800 . 4.990 4.370 4.181 4.567 . 0 0 "[ . 1 . 2]" 1
508 1 48 SER QB 1 49 THR H 1.800 . 3.540 2.629 2.210 3.399 . 0 0 "[ . 1 . 2]" 1
509 1 48 SER QB 1 50 LEU H 1.800 . 4.230 2.912 2.459 3.590 . 0 0 "[ . 1 . 2]" 1
510 1 48 SER QB 1 51 GLN H 1.800 . 5.030 3.021 2.358 3.757 . 0 0 "[ . 1 . 2]" 1
511 1 48 SER H 1 48 SER QB 1.800 . 3.750 2.384 2.234 2.687 . 0 0 "[ . 1 . 2]" 1
512 1 48 SER H 1 49 THR H 1.800 . 5.160 4.638 4.588 4.677 . 0 0 "[ . 1 . 2]" 1
513 1 48 SER H 1 51 GLN HB3 1.800 . 5.350 3.919 2.746 4.732 . 0 0 "[ . 1 . 2]" 1
514 1 48 SER H 1 51 GLN HB2 1.800 . 5.350 3.044 2.489 3.630 . 0 0 "[ . 1 . 2]" 1
515 1 48 SER H 1 51 GLN QG 1.800 . 5.100 3.556 2.627 4.563 . 0 0 "[ . 1 . 2]" 1
516 1 48 SER H 1 51 GLN H 1.800 . 4.870 4.075 3.798 4.292 . 0 0 "[ . 1 . 2]" 1
517 1 49 THR HA 1 49 THR MG 1.800 . 3.900 2.306 2.242 2.392 . 0 0 "[ . 1 . 2]" 1
518 1 49 THR HA 1 52 VAL HB 1.800 . 4.480 2.664 2.338 2.913 . 0 0 "[ . 1 . 2]" 1
519 1 49 THR HA 1 52 VAL MG1 1.800 . 4.790 4.035 3.708 4.244 . 0 0 "[ . 1 . 2]" 1
520 1 49 THR HA 1 52 VAL MG2 1.800 . 5.010 3.229 2.931 3.533 . 0 0 "[ . 1 . 2]" 1
521 1 49 THR HA 1 52 VAL H 1.800 . 4.660 3.474 3.345 3.608 . 0 0 "[ . 1 . 2]" 1
522 1 49 THR HB 1 50 LEU H 1.800 . 4.730 2.913 2.445 3.775 . 0 0 "[ . 1 . 2]" 1
523 1 49 THR MG 1 50 LEU H 1.800 . 5.150 3.722 3.368 4.004 . 0 0 "[ . 1 . 2]" 1
524 1 49 THR H 1 49 THR HB 1.800 . 3.980 2.977 2.484 3.603 . 0 0 "[ . 1 . 2]" 1
525 1 49 THR H 1 49 THR MG 1.800 . 3.780 3.226 2.148 3.760 . 0 0 "[ . 1 . 2]" 1
526 1 49 THR H 1 50 LEU QB 1.800 . 5.250 4.443 4.347 4.586 . 0 0 "[ . 1 . 2]" 1
527 1 49 THR H 1 50 LEU H 1.800 . 4.080 2.675 2.579 2.756 . 0 0 "[ . 1 . 2]" 1
528 1 50 LEU HA 1 53 CYS QB 1.800 . 3.880 2.781 2.519 3.019 . 0 0 "[ . 1 . 2]" 1
529 1 50 LEU HA 1 53 CYS H 1.800 . 4.720 3.591 3.431 3.729 . 0 0 "[ . 1 . 2]" 1
530 1 50 LEU QB 1 51 GLN H 1.800 . 3.760 2.512 2.402 2.645 . 0 0 "[ . 1 . 2]" 1
531 1 50 LEU HG 1 54 ASN QD 1.800 . 4.520 4.152 3.300 4.564 0.044 1 0 "[ . 1 . 2]" 1
532 1 50 LEU H 1 50 LEU QB 1.800 . 3.300 2.247 2.133 2.272 . 0 0 "[ . 1 . 2]" 1
533 1 50 LEU H 1 51 GLN H 1.800 . 3.830 2.727 2.665 2.796 . 0 0 "[ . 1 . 2]" 1
534 1 51 GLN HA 1 51 GLN QE 1.800 . 5.440 4.051 2.929 4.878 . 0 0 "[ . 1 . 2]" 1
535 1 51 GLN HA 1 51 GLN QG 1.800 . 3.870 2.527 2.303 2.831 . 0 0 "[ . 1 . 2]" 1
536 1 51 GLN HA 1 54 ASN HB3 1.800 . 5.540 4.558 2.670 5.051 . 0 0 "[ . 1 . 2]" 1
537 1 51 GLN HA 1 54 ASN HB2 1.800 . 5.540 3.087 2.698 3.857 . 0 0 "[ . 1 . 2]" 1
538 1 51 GLN HA 1 54 ASN QD 1.800 . 5.150 4.900 3.626 5.196 0.046 17 0 "[ . 1 . 2]" 1
539 1 51 GLN HA 1 54 ASN H 1.800 . 4.430 3.716 3.540 3.939 . 0 0 "[ . 1 . 2]" 1
540 1 51 GLN QB 1 51 GLN QE 1.800 . 4.770 3.044 1.890 3.741 . 0 0 "[ . 1 . 2]" 1
541 1 51 GLN QB 1 51 GLN HE21 1.800 . 5.500 3.245 1.901 4.077 . 0 0 "[ . 1 . 2]" 1
542 1 51 GLN HB3 1 52 VAL H 1.800 . 4.960 3.268 2.471 3.589 . 0 0 "[ . 1 . 2]" 1
543 1 51 GLN HB2 1 52 VAL H 1.800 . 4.960 2.869 2.442 3.872 . 0 0 "[ . 1 . 2]" 1
544 1 51 GLN QG 1 52 VAL H 1.800 . 5.170 3.996 3.561 4.337 . 0 0 "[ . 1 . 2]" 1
545 1 51 GLN H 1 51 GLN QG 1.800 . 4.300 2.701 2.200 4.072 . 0 0 "[ . 1 . 2]" 1
546 1 51 GLN H 1 52 VAL H 1.800 . 3.930 2.668 2.568 2.722 . 0 0 "[ . 1 . 2]" 1
547 1 52 VAL HA 1 52 VAL MG1 1.800 . 3.820 2.381 2.354 2.409 . 0 0 "[ . 1 . 2]" 1
548 1 52 VAL HA 1 52 VAL MG2 1.800 . 3.720 2.334 2.260 2.380 . 0 0 "[ . 1 . 2]" 1
549 1 52 VAL HA 1 55 TRP QB 1.800 . 5.210 2.598 2.303 2.947 . 0 0 "[ . 1 . 2]" 1
550 1 52 VAL HA 1 55 TRP H 1.800 . 4.580 3.547 3.403 3.682 . 0 0 "[ . 1 . 2]" 1
551 1 52 VAL HB 1 53 CYS H 1.800 . 4.360 2.549 2.499 2.609 . 0 0 "[ . 1 . 2]" 1
552 1 52 VAL MG1 1 53 CYS QB 1.800 . 4.640 4.287 4.080 4.693 0.053 7 0 "[ . 1 . 2]" 1
553 1 52 VAL MG1 1 53 CYS H 1.800 . 4.470 3.283 3.189 3.330 . 0 0 "[ . 1 . 2]" 1
554 1 52 VAL MG1 1 54 ASN H 1.800 . 5.410 5.045 4.924 5.251 . 0 0 "[ . 1 . 2]" 1
555 1 52 VAL MG1 1 56 PHE QD 1.800 . 4.890 3.475 2.093 4.629 . 0 0 "[ . 1 . 2]" 1
556 1 52 VAL MG2 1 53 CYS H 1.800 . 4.830 3.880 3.837 3.919 . 0 0 "[ . 1 . 2]" 1
557 1 52 VAL H 1 52 VAL HB 1.800 . 3.730 2.432 2.397 2.464 . 0 0 "[ . 1 . 2]" 1
558 1 52 VAL H 1 52 VAL MG1 1.800 . 4.620 3.757 3.748 3.766 . 0 0 "[ . 1 . 2]" 1
559 1 52 VAL H 1 52 VAL MG2 1.800 . 4.140 2.195 2.129 2.265 . 0 0 "[ . 1 . 2]" 1
560 1 52 VAL H 1 53 CYS H 1.800 . 3.790 2.680 2.636 2.737 . 0 0 "[ . 1 . 2]" 1
561 1 53 CYS HA 1 56 PHE QB 1.800 . 4.390 2.676 2.353 3.034 . 0 0 "[ . 1 . 2]" 1
562 1 53 CYS HA 1 56 PHE QD 1.800 . 5.260 3.852 2.564 4.597 . 0 0 "[ . 1 . 2]" 1
563 1 53 CYS HA 1 56 PHE H 1.800 . 5.250 3.560 3.437 3.689 . 0 0 "[ . 1 . 2]" 1
564 1 53 CYS QB 1 54 ASN H 1.800 . 3.670 2.415 2.151 2.590 . 0 0 "[ . 1 . 2]" 1
565 1 53 CYS QB 1 57 ILE MD 1.800 . 5.160 3.941 3.398 4.412 . 0 0 "[ . 1 . 2]" 1
566 1 53 CYS H 1 53 CYS QB 1.800 . 3.430 2.256 2.120 2.517 . 0 0 "[ . 1 . 2]" 1
567 1 53 CYS H 1 54 ASN H 1.800 . 3.640 2.803 2.676 2.994 . 0 0 "[ . 1 . 2]" 1
568 1 54 ASN HA 1 54 ASN QD 1.800 . 4.800 2.105 1.778 3.379 0.022 18 0 "[ . 1 . 2]" 1
569 1 54 ASN HA 1 54 ASN HD21 1.800 . 5.460 2.146 1.784 3.566 0.016 18 0 "[ . 1 . 2]" 1
570 1 54 ASN HA 1 54 ASN HD22 1.800 . 5.460 3.528 3.318 4.187 . 0 0 "[ . 1 . 2]" 1
571 1 54 ASN HA 1 57 ILE HB 1.800 . 4.080 3.185 2.895 3.794 . 0 0 "[ . 1 . 2]" 1
572 1 54 ASN HA 1 57 ILE MD 1.800 . 4.070 2.603 2.283 3.170 . 0 0 "[ . 1 . 2]" 1
573 1 54 ASN HA 1 57 ILE QG 1.800 . 4.940 3.805 3.286 4.326 . 0 0 "[ . 1 . 2]" 1
574 1 54 ASN HA 1 57 ILE MG 1.800 . 5.060 4.487 4.211 5.155 0.095 14 0 "[ . 1 . 2]" 1
575 1 54 ASN HA 1 57 ILE H 1.800 . 4.730 3.650 3.459 3.880 . 0 0 "[ . 1 . 2]" 1
576 1 54 ASN HA 1 58 ASN H 1.800 . 5.130 4.303 3.902 4.509 . 0 0 "[ . 1 . 2]" 1
577 1 54 ASN HB3 1 55 TRP H 1.800 . 4.950 3.477 2.613 3.667 . 0 0 "[ . 1 . 2]" 1
578 1 54 ASN HB3 1 57 ILE MD 1.800 . 5.690 4.748 4.256 5.436 . 0 0 "[ . 1 . 2]" 1
579 1 54 ASN HB2 1 55 TRP H 1.800 . 4.950 2.612 2.328 3.906 . 0 0 "[ . 1 . 2]" 1
580 1 54 ASN HB2 1 57 ILE MD 1.800 . 5.690 5.227 4.138 5.789 0.099 14 0 "[ . 1 . 2]" 1
581 1 54 ASN QD 1 57 ILE MD 1.800 . 4.160 3.156 2.416 4.229 0.069 1 0 "[ . 1 . 2]" 1
582 1 54 ASN HD21 1 57 ILE MD 1.800 . 5.200 3.290 2.451 4.770 . 0 0 "[ . 1 . 2]" 1
583 1 54 ASN HD22 1 57 ILE MD 1.800 . 5.200 4.288 3.665 4.958 . 0 0 "[ . 1 . 2]" 1
584 1 54 ASN H 1 54 ASN HB3 1.800 . 4.150 3.543 2.487 3.619 . 0 0 "[ . 1 . 2]" 1
585 1 54 ASN H 1 54 ASN HB2 1.800 . 4.150 2.437 2.301 2.604 . 0 0 "[ . 1 . 2]" 1
586 1 54 ASN H 1 54 ASN QD 1.800 . 5.240 2.864 2.047 4.608 . 0 0 "[ . 1 . 2]" 1
587 1 54 ASN H 1 55 TRP H 1.800 . 4.020 2.686 2.615 2.756 . 0 0 "[ . 1 . 2]" 1
588 1 55 TRP HA 1 58 ASN HB3 1.800 . 5.050 3.131 2.655 4.767 . 0 0 "[ . 1 . 2]" 1
589 1 55 TRP HA 1 58 ASN HB2 1.800 . 5.050 4.231 3.811 5.010 . 0 0 "[ . 1 . 2]" 1
590 1 55 TRP HA 1 58 ASN H 1.800 . 5.160 3.639 3.483 4.209 . 0 0 "[ . 1 . 2]" 1
591 1 55 TRP HA 1 59 ALA H 1.800 . 5.130 3.545 3.373 3.719 . 0 0 "[ . 1 . 2]" 1
592 1 55 TRP QB 1 55 TRP HZ3 1.800 . 5.590 4.891 4.849 4.916 . 0 0 "[ . 1 . 2]" 1
593 1 55 TRP HB3 1 56 PHE H 1.800 . 5.160 2.588 2.309 2.673 . 0 0 "[ . 1 . 2]" 1
594 1 55 TRP HB2 1 56 PHE H 1.800 . 5.160 3.885 3.632 3.970 . 0 0 "[ . 1 . 2]" 1
595 1 55 TRP HE3 1 56 PHE HA 1.800 . 4.360 2.385 2.283 2.669 . 0 0 "[ . 1 . 2]" 1
596 1 55 TRP HE3 1 56 PHE H 1.800 . 4.860 2.883 2.649 3.120 . 0 0 "[ . 1 . 2]" 1
597 1 55 TRP HE3 1 59 ALA MB 1.800 . 4.790 3.202 2.758 3.479 . 0 0 "[ . 1 . 2]" 1
598 1 55 TRP HH2 1 59 ALA MB 1.800 . 5.060 2.999 2.665 3.379 . 0 0 "[ . 1 . 2]" 1
599 1 55 TRP HH2 1 63 LEU MD1 1.800 . 5.020 3.010 2.314 3.775 . 0 0 "[ . 1 . 2]" 1
600 1 55 TRP H 1 55 TRP HB3 1.800 . 3.860 2.512 2.385 2.689 . 0 0 "[ . 1 . 2]" 1
601 1 55 TRP H 1 55 TRP HB2 1.800 . 3.860 2.587 2.441 2.726 . 0 0 "[ . 1 . 2]" 1
602 1 55 TRP H 1 56 PHE H 1.800 . 3.710 2.652 2.551 2.769 . 0 0 "[ . 1 . 2]" 1
603 1 55 TRP HZ2 1 59 ALA MB 1.800 . 5.040 2.941 2.758 3.294 . 0 0 "[ . 1 . 2]" 1
604 1 55 TRP HZ2 1 63 LEU MD1 1.800 . 5.890 3.256 2.750 3.916 . 0 0 "[ . 1 . 2]" 1
605 1 55 TRP HZ3 1 56 PHE HA 1.800 . 4.820 3.160 2.930 3.384 . 0 0 "[ . 1 . 2]" 1
606 1 55 TRP HZ3 1 59 ALA MB 1.800 . 5.150 3.139 2.611 3.612 . 0 0 "[ . 1 . 2]" 1
607 1 56 PHE HA 1 56 PHE QD 1.800 . 4.460 2.583 2.340 3.049 . 0 0 "[ . 1 . 2]" 1
608 1 56 PHE HA 1 59 ALA MB 1.800 . 3.840 2.587 2.277 2.857 . 0 0 "[ . 1 . 2]" 1
609 1 56 PHE HA 1 59 ALA H 1.800 . 4.950 3.711 3.521 3.835 . 0 0 "[ . 1 . 2]" 1
610 1 56 PHE QB 1 57 ILE MG 1.800 . 5.590 5.164 5.012 5.261 . 0 0 "[ . 1 . 2]" 1
611 1 56 PHE QB 1 57 ILE H 1.800 . 4.300 2.500 2.367 2.929 . 0 0 "[ . 1 . 2]" 1
612 1 56 PHE H 1 56 PHE QB 1.800 . 3.790 2.231 2.058 2.327 . 0 0 "[ . 1 . 2]" 1
613 1 56 PHE H 1 56 PHE QD 1.800 . 4.720 3.808 2.806 4.204 . 0 0 "[ . 1 . 2]" 1
614 1 56 PHE H 1 57 ILE H 1.800 . 4.280 2.793 2.729 2.960 . 0 0 "[ . 1 . 2]" 1
615 1 57 ILE HA 1 57 ILE QG 1.800 . 3.740 2.385 2.254 2.520 . 0 0 "[ . 1 . 2]" 1
616 1 57 ILE HA 1 57 ILE MG 1.800 . 3.640 2.383 2.193 2.524 . 0 0 "[ . 1 . 2]" 1
617 1 57 ILE HA 1 60 ARG QB 1.800 . 5.030 3.010 2.681 3.388 . 0 0 "[ . 1 . 2]" 1
618 1 57 ILE HA 1 60 ARG HE 1.800 . 5.090 3.761 2.131 5.174 0.084 9 0 "[ . 1 . 2]" 1
619 1 57 ILE HA 1 60 ARG H 1.800 . 5.330 3.894 3.572 4.287 . 0 0 "[ . 1 . 2]" 1
620 1 57 ILE HB 1 58 ASN H 1.800 . 3.860 2.461 2.346 2.564 . 0 0 "[ . 1 . 2]" 1
621 1 57 ILE QG 1 57 ILE MG 1.800 . 3.310 2.268 2.045 2.297 . 0 0 "[ . 1 . 2]" 1
622 1 57 ILE MG 1 58 ASN HA 1.800 . 4.760 3.322 3.142 3.680 . 0 0 "[ . 1 . 2]" 1
623 1 57 ILE MG 1 58 ASN QB 1.800 . 5.530 3.842 3.484 4.408 . 0 0 "[ . 1 . 2]" 1
624 1 57 ILE MG 1 58 ASN H 1.800 . 4.540 3.194 2.931 3.594 . 0 0 "[ . 1 . 2]" 1
625 1 57 ILE H 1 57 ILE HB 1.800 . 3.510 2.456 2.306 2.867 . 0 0 "[ . 1 . 2]" 1
626 1 57 ILE H 1 57 ILE MD 1.800 . 4.490 3.329 1.848 3.620 . 0 0 "[ . 1 . 2]" 1
627 1 57 ILE H 1 57 ILE QG 1.800 . 4.390 2.206 2.055 3.254 . 0 0 "[ . 1 . 2]" 1
628 1 57 ILE H 1 58 ASN H 1.800 . 4.130 2.776 2.704 2.885 . 0 0 "[ . 1 . 2]" 1
629 1 58 ASN HA 1 61 ARG QB 1.800 . 5.580 2.991 2.559 4.269 . 0 0 "[ . 1 . 2]" 1
630 1 58 ASN HA 1 61 ARG H 1.800 . 4.630 3.661 3.447 4.020 . 0 0 "[ . 1 . 2]" 1
631 1 58 ASN QB 1 59 ALA H 1.800 . 4.000 2.536 2.246 3.315 . 0 0 "[ . 1 . 2]" 1
632 1 58 ASN QD 1 59 ALA HA 1.800 . 5.130 4.252 2.529 5.142 0.012 11 0 "[ . 1 . 2]" 1
633 1 58 ASN QD 1 62 ARG QB 1.800 . 4.740 4.126 3.171 4.780 0.040 1 0 "[ . 1 . 2]" 1
634 1 58 ASN QD 1 62 ARG QG 1.800 . 5.700 4.540 2.286 5.756 0.056 6 0 "[ . 1 . 2]" 1
635 1 58 ASN H 1 58 ASN QB 1.800 . 3.400 2.309 2.248 2.720 . 0 0 "[ . 1 . 2]" 1
636 1 58 ASN H 1 59 ALA H 1.800 . 3.900 2.619 2.492 2.710 . 0 0 "[ . 1 . 2]" 1
637 1 59 ALA HA 1 61 ARG H 1.800 . 5.700 4.597 4.444 4.899 . 0 0 "[ . 1 . 2]" 1
638 1 59 ALA HA 1 62 ARG QB 1.800 . 3.930 2.650 2.276 2.957 . 0 0 "[ . 1 . 2]" 1
639 1 59 ALA HA 1 62 ARG H 1.800 . 4.270 3.490 3.346 3.602 . 0 0 "[ . 1 . 2]" 1
640 1 59 ALA HA 1 63 LEU QB 1.800 . 5.100 4.493 4.301 4.817 . 0 0 "[ . 1 . 2]" 1
641 1 59 ALA HA 1 63 LEU MD1 1.800 . 4.460 3.344 3.142 3.606 . 0 0 "[ . 1 . 2]" 1
642 1 59 ALA HA 1 63 LEU HG 1.800 . 4.040 3.253 3.037 3.548 . 0 0 "[ . 1 . 2]" 1
643 1 59 ALA HA 1 63 LEU H 1.800 . 4.360 4.018 3.366 4.352 . 0 0 "[ . 1 . 2]" 1
644 1 59 ALA MB 1 60 ARG H 1.800 . 4.220 2.444 2.237 2.645 . 0 0 "[ . 1 . 2]" 1
645 1 59 ALA MB 1 62 ARG H 1.800 . 5.480 4.460 4.372 4.561 . 0 0 "[ . 1 . 2]" 1
646 1 59 ALA MB 1 63 LEU MD1 1.800 . 3.900 2.141 2.028 2.417 . 0 0 "[ . 1 . 2]" 1
647 1 59 ALA MB 1 63 LEU MD2 1.800 . 4.820 4.117 3.794 4.376 . 0 0 "[ . 1 . 2]" 1
648 1 59 ALA MB 1 63 LEU HG 1.800 . 4.470 3.384 3.023 3.578 . 0 0 "[ . 1 . 2]" 1
649 1 59 ALA MB 1 63 LEU H 1.800 . 5.190 4.486 4.058 4.735 . 0 0 "[ . 1 . 2]" 1
650 1 59 ALA H 1 60 ARG H 1.800 . 4.270 2.727 2.567 2.833 . 0 0 "[ . 1 . 2]" 1
651 1 60 ARG HA 1 60 ARG QG 1.800 . 3.700 2.362 2.256 2.455 . 0 0 "[ . 1 . 2]" 1
652 1 60 ARG HA 1 64 LEU QB 1.800 . 5.040 3.558 2.826 4.407 . 0 0 "[ . 1 . 2]" 1
653 1 60 ARG HA 1 64 LEU H 1.800 . 4.500 2.997 2.324 3.653 . 0 0 "[ . 1 . 2]" 1
654 1 60 ARG QB 1 60 ARG HE 1.800 . 4.960 2.319 2.015 2.543 . 0 0 "[ . 1 . 2]" 1
655 1 60 ARG QB 1 61 ARG H 1.800 . 4.300 2.439 2.043 2.595 . 0 0 "[ . 1 . 2]" 1
656 1 60 ARG QB 1 64 LEU MD1 1.800 . 5.400 4.390 2.803 5.599 0.199 11 0 "[ . 1 . 2]" 1
657 1 60 ARG QD 1 64 LEU MD1 1.800 . 5.030 3.872 2.874 5.128 0.098 9 0 "[ . 1 . 2]" 1
658 1 60 ARG QD 1 64 LEU MD2 1.800 . 4.830 3.550 2.424 5.023 0.193 19 0 "[ . 1 . 2]" 1
659 1 60 ARG QG 1 64 LEU MD1 1.800 . 3.720 2.920 1.970 4.080 0.360 9 0 "[ . 1 . 2]" 1
660 1 60 ARG QG 1 64 LEU MD2 1.800 . 4.310 2.713 2.002 4.183 . 0 0 "[ . 1 . 2]" 1
661 1 60 ARG H 1 60 ARG QG 1.800 . 4.490 3.677 2.293 3.986 . 0 0 "[ . 1 . 2]" 1
662 1 60 ARG H 1 61 ARG H 1.800 . 3.960 2.729 2.642 2.970 . 0 0 "[ . 1 . 2]" 1
663 1 61 ARG HA 1 61 ARG QG 1.800 . 3.890 2.456 2.273 3.311 . 0 0 "[ . 1 . 2]" 1
664 1 61 ARG HA 1 65 PRO QD 1.800 . 4.480 3.055 2.594 3.326 . 0 0 "[ . 1 . 2]" 1
665 1 61 ARG QB 1 61 ARG HE 1.800 . 5.170 3.270 2.154 4.168 . 0 0 "[ . 1 . 2]" 1
666 1 61 ARG QB 1 62 ARG H 1.800 . 4.310 3.132 2.655 3.822 . 0 0 "[ . 1 . 2]" 1
667 1 61 ARG QG 1 62 ARG H 1.800 . 5.380 4.048 2.748 4.330 . 0 0 "[ . 1 . 2]" 1
668 1 61 ARG H 1 61 ARG QB 1.800 . 3.400 2.332 2.207 2.593 . 0 0 "[ . 1 . 2]" 1
669 1 61 ARG H 1 61 ARG QG 1.800 . 4.260 2.963 1.889 4.078 . 0 0 "[ . 1 . 2]" 1
670 1 61 ARG H 1 62 ARG H 1.800 . 3.560 2.610 2.480 2.687 . 0 0 "[ . 1 . 2]" 1
671 1 62 ARG HA 1 62 ARG QD 1.800 . 4.510 3.600 2.218 4.179 . 0 0 "[ . 1 . 2]" 1
672 1 62 ARG HA 1 62 ARG QG 1.800 . 3.840 2.415 2.254 2.871 . 0 0 "[ . 1 . 2]" 1
673 1 62 ARG HA 1 65 PRO QD 1.800 . 5.030 3.683 3.086 4.318 . 0 0 "[ . 1 . 2]" 1
674 1 62 ARG QB 1 63 LEU MD2 1.800 . 4.810 3.889 3.641 4.322 . 0 0 "[ . 1 . 2]" 1
675 1 62 ARG QB 1 63 LEU H 1.800 . 4.200 2.987 2.450 3.273 . 0 0 "[ . 1 . 2]" 1
676 1 62 ARG HB3 1 62 ARG QD 1.800 . 4.620 2.635 2.266 3.404 . 0 0 "[ . 1 . 2]" 1
677 1 62 ARG HB2 1 62 ARG QD 1.800 . 4.620 2.666 2.249 3.528 . 0 0 "[ . 1 . 2]" 1
678 1 62 ARG H 1 62 ARG QB 1.800 . 3.400 2.407 2.273 2.570 . 0 0 "[ . 1 . 2]" 1
679 1 62 ARG H 1 62 ARG QG 1.800 . 4.830 3.524 2.566 4.142 . 0 0 "[ . 1 . 2]" 1
680 1 62 ARG H 1 63 LEU H 1.800 . 3.710 2.125 1.919 2.503 . 0 0 "[ . 1 . 2]" 1
681 1 63 LEU HA 1 63 LEU MD2 1.800 . 3.130 2.156 2.123 2.204 . 0 0 "[ . 1 . 2]" 1
682 1 63 LEU HA 1 66 ASP QB 1.800 . 5.020 2.988 2.379 3.564 . 0 0 "[ . 1 . 2]" 1
683 1 63 LEU HA 1 66 ASP H 1.800 . 5.240 3.750 3.387 4.019 . 0 0 "[ . 1 . 2]" 1
684 1 63 LEU HA 1 67 MET H 1.800 . 5.290 3.889 3.173 4.618 . 0 0 "[ . 1 . 2]" 1
685 1 63 LEU QB 1 63 LEU MD2 1.800 . 3.590 2.199 2.167 2.227 . 0 0 "[ . 1 . 2]" 1
686 1 63 LEU HB3 1 63 LEU MD1 1.800 . 3.850 2.482 2.436 2.544 . 0 0 "[ . 1 . 2]" 1
687 1 63 LEU HB3 1 64 LEU H 1.800 . 4.310 3.248 2.738 3.887 . 0 0 "[ . 1 . 2]" 1
688 1 63 LEU HB2 1 63 LEU MD1 1.800 . 3.850 2.257 2.218 2.324 . 0 0 "[ . 1 . 2]" 1
689 1 63 LEU HB2 1 64 LEU H 1.800 . 4.310 2.366 2.054 2.891 . 0 0 "[ . 1 . 2]" 1
690 1 63 LEU H 1 63 LEU QB 1.800 . 3.870 2.383 2.299 2.461 . 0 0 "[ . 1 . 2]" 1
691 1 63 LEU H 1 63 LEU MD1 1.800 . 4.880 3.691 3.426 3.913 . 0 0 "[ . 1 . 2]" 1
692 1 63 LEU H 1 63 LEU MD2 1.800 . 4.660 3.865 3.610 4.049 . 0 0 "[ . 1 . 2]" 1
693 1 63 LEU H 1 63 LEU HG 1.800 . 3.850 2.730 2.305 2.977 . 0 0 "[ . 1 . 2]" 1
694 1 63 LEU H 1 64 LEU H 1.800 . 3.520 2.466 2.098 2.812 . 0 0 "[ . 1 . 2]" 1
695 1 63 LEU H 1 65 PRO QD 1.800 . 4.570 2.925 2.510 3.645 . 0 0 "[ . 1 . 2]" 1
696 1 64 LEU HA 1 64 LEU MD1 1.800 . 3.620 2.308 2.149 3.709 0.089 19 0 "[ . 1 . 2]" 1
697 1 64 LEU HA 1 64 LEU MD2 1.800 . 4.960 3.133 2.170 3.823 . 0 0 "[ . 1 . 2]" 1
698 1 64 LEU HA 1 67 MET H 1.800 . 4.810 3.712 3.377 4.250 . 0 0 "[ . 1 . 2]" 1
699 1 64 LEU HA 1 68 LEU MD1 1.800 . 4.850 3.598 3.174 4.074 . 0 0 "[ . 1 . 2]" 1
700 1 64 LEU HA 1 68 LEU H 1.800 . 5.530 3.672 3.221 3.967 . 0 0 "[ . 1 . 2]" 1
701 1 64 LEU QB 1 65 PRO HD3 1.800 . 4.280 2.102 2.045 2.211 . 0 0 "[ . 1 . 2]" 1
702 1 64 LEU QB 1 65 PRO HD2 1.800 . 4.280 2.806 2.241 3.556 . 0 0 "[ . 1 . 2]" 1
703 1 64 LEU QB 1 68 LEU MD1 1.800 . 5.560 2.704 2.065 3.681 . 0 0 "[ . 1 . 2]" 1
704 1 64 LEU HB3 1 64 LEU MD1 1.800 . 4.600 2.826 2.232 3.207 . 0 0 "[ . 1 . 2]" 1
705 1 64 LEU HB3 1 64 LEU MD2 1.800 . 3.820 2.593 2.210 3.212 . 0 0 "[ . 1 . 2]" 1
706 1 64 LEU HB3 1 65 PRO QD 1.800 . 4.390 2.315 2.042 2.597 . 0 0 "[ . 1 . 2]" 1
707 1 64 LEU HB2 1 64 LEU MD1 1.800 . 4.600 2.571 2.195 3.212 . 0 0 "[ . 1 . 2]" 1
708 1 64 LEU HB2 1 64 LEU MD2 1.800 . 3.820 2.463 2.282 3.177 . 0 0 "[ . 1 . 2]" 1
709 1 64 LEU HB2 1 65 PRO QD 1.800 . 4.390 2.358 2.034 3.237 . 0 0 "[ . 1 . 2]" 1
710 1 64 LEU MD1 1 67 MET QB 1.800 . 5.130 3.818 3.049 5.409 0.279 19 0 "[ . 1 . 2]" 1
711 1 64 LEU MD1 1 68 LEU MD1 1.800 . 4.760 3.152 2.047 4.381 . 0 0 "[ . 1 . 2]" 1
712 1 64 LEU MD1 1 68 LEU MD2 1.800 . 5.370 3.887 2.514 5.348 . 0 0 "[ . 1 . 2]" 1
713 1 64 LEU MD2 1 65 PRO QD 1.800 . 4.960 3.697 3.416 3.943 . 0 0 "[ . 1 . 2]" 1
714 1 64 LEU MD2 1 68 LEU MD1 1.800 . 5.090 3.128 1.982 4.589 . 0 0 "[ . 1 . 2]" 1
715 1 64 LEU H 1 64 LEU HB3 1.800 . 3.960 3.366 2.677 3.634 . 0 0 "[ . 1 . 2]" 1
716 1 64 LEU H 1 64 LEU HB2 1.800 . 3.960 2.240 2.100 2.474 . 0 0 "[ . 1 . 2]" 1
717 1 64 LEU H 1 64 LEU MD1 1.800 . 4.960 3.328 2.091 4.088 . 0 0 "[ . 1 . 2]" 1
718 1 64 LEU H 1 64 LEU MD2 1.800 . 4.380 3.376 1.794 4.391 0.011 13 0 "[ . 1 . 2]" 1
719 1 64 LEU H 1 65 PRO HD3 1.800 . 4.300 3.172 2.093 3.867 . 0 0 "[ . 1 . 2]" 1
720 1 64 LEU H 1 65 PRO HD2 1.800 . 4.300 2.546 2.177 2.896 . 0 0 "[ . 1 . 2]" 1
721 1 65 PRO HA 1 68 LEU QB 1.800 . 4.390 2.889 2.473 3.363 . 0 0 "[ . 1 . 2]" 1
722 1 65 PRO HA 1 68 LEU MD1 1.800 . 4.370 2.955 2.411 3.709 . 0 0 "[ . 1 . 2]" 1
723 1 65 PRO HA 1 69 ARG QB 1.800 . 5.360 4.648 4.069 5.337 . 0 0 "[ . 1 . 2]" 1
724 1 65 PRO HA 1 69 ARG H 1.800 . 4.830 3.981 3.642 4.416 . 0 0 "[ . 1 . 2]" 1
725 1 65 PRO QB 1 66 ASP H 1.800 . 3.940 2.566 2.241 3.026 . 0 0 "[ . 1 . 2]" 1
726 1 65 PRO QD 1 66 ASP H 1.800 . 4.300 2.918 2.011 3.417 . 0 0 "[ . 1 . 2]" 1
727 1 65 PRO HG3 1 66 ASP H 1.800 . 4.960 4.273 3.726 4.565 . 0 0 "[ . 1 . 2]" 1
728 1 65 PRO HG2 1 66 ASP H 1.800 . 4.960 3.225 2.145 3.874 . 0 0 "[ . 1 . 2]" 1
729 1 66 ASP HA 1 69 ARG QB 1.800 . 4.310 2.805 2.217 3.205 . 0 0 "[ . 1 . 2]" 1
730 1 66 ASP HA 1 69 ARG H 1.800 . 4.790 3.645 3.334 3.877 . 0 0 "[ . 1 . 2]" 1
731 1 66 ASP HB3 1 67 MET H 1.800 . 4.270 2.868 2.305 3.537 . 0 0 "[ . 1 . 2]" 1
732 1 66 ASP HB2 1 67 MET H 1.800 . 4.270 3.214 2.386 3.905 . 0 0 "[ . 1 . 2]" 1
733 1 66 ASP H 1 66 ASP QB 1.800 . 3.320 2.288 2.239 2.363 . 0 0 "[ . 1 . 2]" 1
734 1 66 ASP H 1 67 MET H 1.800 . 3.500 2.702 2.540 2.810 . 0 0 "[ . 1 . 2]" 1
735 1 67 MET HA 1 67 MET QG 1.800 . 3.860 2.618 2.279 3.005 . 0 0 "[ . 1 . 2]" 1
736 1 67 MET HA 1 70 LYS QB 1.800 . 3.850 2.723 2.329 3.487 . 0 0 "[ . 1 . 2]" 1
737 1 67 MET QB 1 68 LEU MD2 1.800 . 5.070 3.987 3.554 4.285 . 0 0 "[ . 1 . 2]" 1
738 1 67 MET QB 1 68 LEU HG 1.800 . 4.990 3.226 3.018 3.408 . 0 0 "[ . 1 . 2]" 1
739 1 67 MET QB 1 69 ARG H 1.800 . 5.720 4.691 4.352 4.895 . 0 0 "[ . 1 . 2]" 1
740 1 67 MET HB3 1 68 LEU H 1.800 . 5.090 3.163 2.359 3.775 . 0 0 "[ . 1 . 2]" 1
741 1 67 MET HB2 1 68 LEU H 1.800 . 5.090 3.005 2.471 3.885 . 0 0 "[ . 1 . 2]" 1
742 1 67 MET H 1 67 MET HB3 1.800 . 4.290 3.232 2.488 3.617 . 0 0 "[ . 1 . 2]" 1
743 1 67 MET H 1 67 MET HB2 1.800 . 4.290 2.461 2.267 2.610 . 0 0 "[ . 1 . 2]" 1
744 1 67 MET H 1 67 MET QG 1.800 . 4.090 2.926 1.920 4.068 . 0 0 "[ . 1 . 2]" 1
745 1 67 MET H 1 68 LEU H 1.800 . 3.740 2.709 2.609 2.832 . 0 0 "[ . 1 . 2]" 1
746 1 68 LEU HA 1 68 LEU MD1 1.800 . 5.090 3.826 3.814 3.844 . 0 0 "[ . 1 . 2]" 1
747 1 68 LEU HA 1 68 LEU MD2 1.800 . 3.690 2.174 2.105 2.209 . 0 0 "[ . 1 . 2]" 1
748 1 68 LEU HA 1 71 ASP QB 1.800 . 5.600 4.149 2.460 5.986 0.386 11 0 "[ . 1 . 2]" 1
749 1 68 LEU HA 1 71 ASP H 1.800 . 5.120 3.628 3.275 3.904 . 0 0 "[ . 1 . 2]" 1
750 1 68 LEU HA 1 72 GLY H 1.800 . 5.180 3.500 2.627 4.466 . 0 0 "[ . 1 . 2]" 1
751 1 68 LEU HA 1 73 LYS H 1.800 . 5.200 4.082 2.101 5.361 0.161 6 0 "[ . 1 . 2]" 1
752 1 68 LEU QB 1 69 ARG H 1.800 . 3.970 2.546 2.464 2.924 . 0 0 "[ . 1 . 2]" 1
753 1 68 LEU HB3 1 68 LEU MD1 1.800 . 3.890 2.446 2.390 2.515 . 0 0 "[ . 1 . 2]" 1
754 1 68 LEU HB3 1 68 LEU MD2 1.800 . 4.550 2.236 2.214 2.288 . 0 0 "[ . 1 . 2]" 1
755 1 68 LEU HB2 1 68 LEU MD1 1.800 . 3.890 2.299 2.238 2.339 . 0 0 "[ . 1 . 2]" 1
756 1 68 LEU HB2 1 68 LEU MD2 1.800 . 4.550 3.212 3.199 3.221 . 0 0 "[ . 1 . 2]" 1
757 1 68 LEU HG 1 69 ARG H 1.800 . 5.380 4.384 4.289 4.456 . 0 0 "[ . 1 . 2]" 1
758 1 68 LEU H 1 68 LEU QB 1.800 . 3.780 2.364 2.327 2.422 . 0 0 "[ . 1 . 2]" 1
759 1 68 LEU H 1 68 LEU MD1 1.800 . 4.950 3.421 3.337 3.617 . 0 0 "[ . 1 . 2]" 1
760 1 68 LEU H 1 68 LEU MD2 1.800 . 4.840 3.599 3.372 3.700 . 0 0 "[ . 1 . 2]" 1
761 1 68 LEU H 1 68 LEU HG 1.800 . 4.100 2.293 2.183 2.361 . 0 0 "[ . 1 . 2]" 1
762 1 69 ARG HA 1 69 ARG QD 1.800 . 4.750 3.784 2.226 4.189 . 0 0 "[ . 1 . 2]" 1
763 1 69 ARG HA 1 72 GLY H 1.800 . 4.600 4.080 3.212 4.733 0.133 17 0 "[ . 1 . 2]" 1
764 1 69 ARG QB 1 69 ARG HE 1.800 . 5.130 2.532 2.140 4.182 . 0 0 "[ . 1 . 2]" 1
765 1 69 ARG QB 1 70 LYS H 1.800 . 3.830 2.605 2.429 3.029 . 0 0 "[ . 1 . 2]" 1
766 1 69 ARG QG 1 70 LYS H 1.800 . 4.620 3.900 3.516 4.564 . 0 0 "[ . 1 . 2]" 1
767 1 69 ARG H 1 69 ARG QB 1.800 . 3.560 2.300 2.136 2.409 . 0 0 "[ . 1 . 2]" 1
768 1 69 ARG H 1 69 ARG QD 1.800 . 5.400 4.206 2.354 4.711 . 0 0 "[ . 1 . 2]" 1
769 1 69 ARG H 1 69 ARG QG 1.800 . 4.570 3.222 2.191 3.987 . 0 0 "[ . 1 . 2]" 1
770 1 69 ARG H 1 70 LYS H 1.800 . 3.580 2.618 2.386 2.731 . 0 0 "[ . 1 . 2]" 1
771 1 70 LYS HA 1 70 LYS QD 1.800 . 4.820 3.636 2.113 4.172 . 0 0 "[ . 1 . 2]" 1
772 1 70 LYS QB 1 70 LYS QD 1.800 . 3.420 2.173 2.123 2.313 . 0 0 "[ . 1 . 2]" 1
773 1 70 LYS QB 1 71 ASP QB 1.800 . 4.940 3.777 3.266 4.196 . 0 0 "[ . 1 . 2]" 1
774 1 70 LYS QB 1 71 ASP H 1.800 . 4.250 2.401 2.168 2.498 . 0 0 "[ . 1 . 2]" 1
775 1 70 LYS H 1 70 LYS QB 1.800 . 3.440 2.293 2.232 2.401 . 0 0 "[ . 1 . 2]" 1
776 1 70 LYS H 1 70 LYS QG 1.800 . 4.530 3.478 2.169 4.081 . 0 0 "[ . 1 . 2]" 1
777 1 70 LYS H 1 71 ASP H 1.800 . 3.540 2.720 2.648 2.880 . 0 0 "[ . 1 . 2]" 1
778 1 71 ASP HA 1 72 GLY H 1.800 . 3.880 3.098 2.316 3.573 . 0 0 "[ . 1 . 2]" 1
779 1 71 ASP QB 1 72 GLY H 1.800 . 4.360 3.243 1.812 4.077 . 0 0 "[ . 1 . 2]" 1
780 1 71 ASP H 1 71 ASP QB 1.800 . 3.890 2.619 2.257 3.342 . 0 0 "[ . 1 . 2]" 1
781 1 71 ASP H 1 72 GLY H 1.800 . 3.640 2.611 1.856 3.371 . 0 0 "[ . 1 . 2]" 1
782 1 72 GLY QA 1 73 LYS H 1.800 . 3.500 2.503 2.153 2.926 . 0 0 "[ . 1 . 2]" 1
783 1 72 GLY H 1 73 LYS H 1.800 . 4.160 3.249 2.275 4.311 0.151 20 0 "[ . 1 . 2]" 1
784 1 73 LYS HA 1 73 LYS QD 1.800 . 4.570 3.524 2.241 4.482 . 0 0 "[ . 1 . 2]" 1
785 1 73 LYS HA 1 74 ASP H 1.800 . 3.930 2.471 2.142 3.464 . 0 0 "[ . 1 . 2]" 1
786 1 73 LYS QB 1 73 LYS QD 1.800 . 2.610 2.184 2.117 2.484 . 0 0 "[ . 1 . 2]" 1
787 1 73 LYS QB 1 74 ASP H 1.800 . 4.210 3.399 1.801 4.038 . 0 0 "[ . 1 . 2]" 1
788 1 73 LYS H 1 73 LYS QB 1.800 . 3.550 2.677 2.241 3.219 . 0 0 "[ . 1 . 2]" 1
789 1 73 LYS H 1 73 LYS QD 1.800 . 5.390 4.266 1.850 5.120 . 0 0 "[ . 1 . 2]" 1
790 1 73 LYS H 1 73 LYS QG 1.800 . 4.470 3.324 1.842 4.351 . 0 0 "[ . 1 . 2]" 1
791 1 73 LYS H 1 74 ASP H 1.800 . 5.000 3.776 2.021 4.625 . 0 0 "[ . 1 . 2]" 1
792 1 74 ASP HA 1 75 PRO QD 1.800 . 3.750 2.439 2.059 3.474 . 0 0 "[ . 1 . 2]" 1
793 1 74 ASP QB 1 75 PRO QD 1.800 . 4.800 3.090 2.108 3.857 . 0 0 "[ . 1 . 2]" 1
794 1 74 ASP H 1 74 ASP QB 1.800 . 3.340 2.778 2.208 3.375 0.035 1 0 "[ . 1 . 2]" 1
795 1 75 PRO QG 1 76 ASN H 1.800 . 5.000 4.126 1.722 4.808 0.078 4 0 "[ . 1 . 2]" 1
796 1 76 ASN HA 1 76 ASN QD 1.800 . 5.260 3.482 1.755 4.438 0.045 6 0 "[ . 1 . 2]" 1
797 1 76 ASN HA 1 77 GLN H 1.800 . 3.920 2.778 2.138 3.577 . 0 0 "[ . 1 . 2]" 1
798 1 76 ASN QB 1 77 GLN H 1.800 . 4.310 3.066 1.762 3.982 0.038 17 0 "[ . 1 . 2]" 1
799 1 76 ASN H 1 76 ASN QB 1.800 . 3.330 2.665 2.257 3.317 . 0 0 "[ . 1 . 2]" 1
800 1 76 ASN H 1 77 GLN H 1.800 . 4.390 3.539 1.892 4.594 0.204 10 0 "[ . 1 . 2]" 1
801 1 77 GLN QB 1 78 PHE H 1.800 . 4.390 3.076 1.740 4.038 0.060 8 0 "[ . 1 . 2]" 1
802 1 77 GLN QG 1 78 PHE H 1.800 . 5.350 3.557 2.325 4.449 . 0 0 "[ . 1 . 2]" 1
803 1 77 GLN H 1 77 GLN QB 1.800 . 3.590 2.641 2.237 3.334 . 0 0 "[ . 1 . 2]" 1
804 1 78 PHE HA 1 78 PHE QD 1.800 . 4.690 2.872 2.514 3.715 . 0 0 "[ . 1 . 2]" 1
805 1 78 PHE QB 1 79 THR H 1.800 . 4.490 3.021 1.751 4.052 0.049 12 0 "[ . 1 . 2]" 1
806 1 78 PHE H 1 78 PHE QB 1.800 . 3.490 2.573 2.275 3.222 . 0 0 "[ . 1 . 2]" 1
807 1 78 PHE H 1 78 PHE QD 1.800 . 4.620 2.911 1.994 4.232 . 0 0 "[ . 1 . 2]" 1
808 1 78 PHE H 1 79 THR H 1.800 . 4.600 3.990 2.233 4.699 0.099 12 0 "[ . 1 . 2]" 1
809 1 79 THR HA 1 79 THR MG 1.800 . 4.190 2.533 2.226 3.208 . 0 0 "[ . 1 . 2]" 1
810 1 79 THR HA 1 80 ILE H 1.800 . 3.400 2.758 2.153 3.545 0.145 10 0 "[ . 1 . 2]" 1
811 1 79 THR HB 1 80 ILE H 1.800 . 4.880 3.422 1.789 4.637 0.011 10 0 "[ . 1 . 2]" 1
812 1 79 THR H 1 79 THR MG 1.800 . 4.370 2.544 1.777 3.988 0.023 4 0 "[ . 1 . 2]" 1
813 1 79 THR H 1 80 ILE H 1.800 . 4.620 3.779 2.102 4.635 0.015 11 0 "[ . 1 . 2]" 1
814 1 80 ILE HA 1 81 SER H 1.800 . 3.680 2.737 2.124 3.554 . 0 0 "[ . 1 . 2]" 1
815 1 80 ILE HB 1 81 SER H 1.800 . 4.680 3.662 1.917 4.575 . 0 0 "[ . 1 . 2]" 1
816 1 80 ILE MD 1 80 ILE MG 1.800 . 3.100 2.158 1.805 3.241 0.141 16 0 "[ . 1 . 2]" 1
817 1 80 ILE MG 1 81 SER H 1.800 . 4.470 3.670 2.375 4.318 . 0 0 "[ . 1 . 2]" 1
818 1 80 ILE H 1 80 ILE HB 1.800 . 4.280 2.931 2.358 3.967 . 0 0 "[ . 1 . 2]" 1
819 1 80 ILE H 1 80 ILE QG 1.800 . 4.270 2.856 1.798 4.199 0.002 5 0 "[ . 1 . 2]" 1
820 1 80 ILE H 1 80 ILE MG 1.800 . 4.380 2.934 1.889 3.851 . 0 0 "[ . 1 . 2]" 1
821 1 80 ILE H 1 81 SER H 1.800 . 4.980 3.516 1.964 4.657 . 0 0 "[ . 1 . 2]" 1
822 1 81 SER HA 1 82 ARG H 1.800 . 3.550 2.599 2.142 3.570 0.020 2 0 "[ . 1 . 2]" 1
823 1 81 SER QB 1 82 ARG H 1.800 . 4.300 3.162 1.863 4.068 . 0 0 "[ . 1 . 2]" 1
824 1 82 ARG HA 1 82 ARG QD 1.800 . 5.290 3.586 2.109 4.504 . 0 0 "[ . 1 . 2]" 1
825 1 82 ARG HA 1 83 ARG H 1.800 . 3.620 2.815 2.159 3.556 . 0 0 "[ . 1 . 2]" 1
826 1 82 ARG QB 1 83 ARG H 1.800 . 4.550 3.031 1.778 4.026 0.022 12 0 "[ . 1 . 2]" 1
827 1 82 ARG QG 1 83 ARG H 1.800 . 5.080 3.807 2.350 4.565 . 0 0 "[ . 1 . 2]" 1
828 1 82 ARG H 1 82 ARG QB 1.800 . 3.660 2.581 2.251 3.206 . 0 0 "[ . 1 . 2]" 1
829 1 82 ARG H 1 82 ARG QG 1.800 . 4.630 2.852 1.801 4.451 . 0 0 "[ . 1 . 2]" 1
830 1 83 ARG HA 1 83 ARG QD 1.800 . 4.990 3.848 2.309 4.507 . 0 0 "[ . 1 . 2]" 1
831 1 83 ARG HA 1 84 GLY H 1.800 . 3.490 2.795 2.155 3.561 0.071 10 0 "[ . 1 . 2]" 1
832 1 83 ARG QB 1 84 GLY H 1.800 . 4.130 3.293 1.829 4.062 . 0 0 "[ . 1 . 2]" 1
833 1 83 ARG QG 1 84 GLY H 1.800 . 5.200 3.625 2.492 4.459 . 0 0 "[ . 1 . 2]" 1
834 1 83 ARG H 1 83 ARG QB 1.800 . 3.770 2.529 2.125 3.454 . 0 0 "[ . 1 . 2]" 1
835 1 83 ARG H 1 83 ARG QG 1.800 . 5.380 3.238 2.097 4.133 . 0 0 "[ . 1 . 2]" 1
836 1 84 GLY QA 1 85 ALA H 1.800 . 3.380 2.429 2.148 2.879 . 0 0 "[ . 1 . 2]" 1
837 1 84 GLY H 1 85 ALA H 1.800 . 4.470 3.661 2.247 4.652 0.182 6 0 "[ . 1 . 2]" 1
838 1 85 ALA HA 1 86 LYS H 1.800 . 3.360 2.555 2.219 3.524 0.164 12 0 "[ . 1 . 2]" 1
839 1 85 ALA MB 1 86 LYS HA 1.800 . 5.050 4.249 3.793 4.756 . 0 0 "[ . 1 . 2]" 1
840 1 85 ALA MB 1 86 LYS H 1.800 . 4.400 2.974 1.818 3.709 . 0 0 "[ . 1 . 2]" 1
841 1 85 ALA H 1 85 ALA MB 1.800 . 3.330 2.434 2.184 2.907 . 0 0 "[ . 1 . 2]" 1
842 1 86 LYS HA 1 87 ILE H 1.800 . 3.280 2.536 2.120 3.428 0.148 13 0 "[ . 1 . 2]" 1
843 1 86 LYS QB 1 87 ILE H 1.800 . 4.300 3.334 2.669 4.053 . 0 0 "[ . 1 . 2]" 1
844 1 86 LYS QG 1 87 ILE H 1.800 . 4.650 3.533 2.396 4.280 . 0 0 "[ . 1 . 2]" 1
845 1 86 LYS H 1 86 LYS QB 1.800 . 3.600 2.542 2.193 3.024 . 0 0 "[ . 1 . 2]" 1
846 1 86 LYS H 1 86 LYS QG 1.800 . 4.180 3.062 1.799 4.167 0.001 3 0 "[ . 1 . 2]" 1
847 1 87 ILE HA 1 88 SER H 1.800 . 3.630 2.626 2.139 3.568 . 0 0 "[ . 1 . 2]" 1
848 1 87 ILE HB 1 88 SER H 1.800 . 5.100 3.624 1.790 4.474 0.010 6 0 "[ . 1 . 2]" 1
849 1 87 ILE MD 1 87 ILE MG 1.800 . 3.450 2.237 1.795 3.249 0.005 17 0 "[ . 1 . 2]" 1
850 1 87 ILE MG 1 88 SER H 1.800 . 5.100 3.145 2.220 4.118 . 0 0 "[ . 1 . 2]" 1
851 1 87 ILE H 1 87 ILE HB 1.800 . 3.990 2.867 2.389 3.776 . 0 0 "[ . 1 . 2]" 1
852 1 87 ILE H 1 87 ILE QG 1.800 . 5.240 2.865 1.767 4.130 0.033 8 0 "[ . 1 . 2]" 1
853 1 87 ILE H 1 87 ILE MG 1.800 . 4.600 3.190 1.792 4.030 0.008 9 0 "[ . 1 . 2]" 1
854 1 88 SER HA 1 89 GLU H 1.800 . 3.560 2.452 2.158 3.380 . 0 0 "[ . 1 . 2]" 1
855 1 88 SER QB 1 89 GLU H 1.800 . 4.300 3.229 2.428 3.859 . 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 72
_Distance_constraint_stats_list.Viol_count 300
_Distance_constraint_stats_list.Viol_total 316.740
_Distance_constraint_stats_list.Viol_max 0.269
_Distance_constraint_stats_list.Viol_rms 0.0295
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.0528
_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 13 PRO 0.029 0.029 2 0 "[ . 1 . 2]"
1 14 LYS 0.244 0.073 9 0 "[ . 1 . 2]"
1 15 GLU 0.020 0.008 8 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.922 0.087 4 0 "[ . 1 . 2]"
1 18 GLN 0.244 0.073 9 0 "[ . 1 . 2]"
1 19 ILE 0.572 0.111 13 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 1.257 0.116 19 0 "[ . 1 . 2]"
1 22 ASP 0.432 0.219 20 0 "[ . 1 . 2]"
1 23 TRP 0.865 0.111 13 0 "[ . 1 . 2]"
1 25 TYR 0.364 0.116 19 0 "[ . 1 . 2]"
1 26 GLU 0.432 0.219 20 0 "[ . 1 . 2]"
1 27 HIS 0.313 0.098 4 0 "[ . 1 . 2]"
1 34 SER 0.153 0.072 13 0 "[ . 1 . 2]"
1 35 GLU 0.050 0.043 20 0 "[ . 1 . 2]"
1 36 GLN 0.078 0.064 18 0 "[ . 1 . 2]"
1 37 GLU 0.011 0.011 9 0 "[ . 1 . 2]"
1 38 LYS 0.448 0.078 9 0 "[ . 1 . 2]"
1 39 ALA 0.050 0.043 20 0 "[ . 1 . 2]"
1 40 LEU 0.162 0.064 18 0 "[ . 1 . 2]"
1 41 LEU 0.011 0.011 9 0 "[ . 1 . 2]"
1 42 SER 0.296 0.078 9 0 "[ . 1 . 2]"
1 43 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLN 0.084 0.031 5 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.012 0.011 1 0 "[ . 1 . 2]"
1 50 LEU 0.023 0.023 7 0 "[ . 1 . 2]"
1 51 GLN 0.001 0.001 15 0 "[ . 1 . 2]"
1 52 VAL 0.798 0.120 11 0 "[ . 1 . 2]"
1 53 CYS 0.356 0.101 19 0 "[ . 1 . 2]"
1 54 ASN 0.567 0.128 14 0 "[ . 1 . 2]"
1 55 TRP 1.696 0.132 15 0 "[ . 1 . 2]"
1 56 PHE 0.960 0.120 11 0 "[ . 1 . 2]"
1 57 ILE 0.833 0.131 16 0 "[ . 1 . 2]"
1 58 ASN 1.950 0.269 20 0 "[ . 1 . 2]"
1 59 ALA 3.273 0.169 15 0 "[ . 1 . 2]"
1 60 ARG 1.345 0.164 12 0 "[ . 1 . 2]"
1 61 ARG 0.488 0.131 16 0 "[ . 1 . 2]"
1 62 ARG 1.406 0.269 20 0 "[ . 1 . 2]"
1 63 LEU 2.753 0.169 15 0 "[ . 1 . 2]"
1 64 LEU 1.777 0.164 12 0 "[ . 1 . 2]"
1 65 PRO 0.030 0.023 9 0 "[ . 1 . 2]"
1 66 ASP 0.273 0.093 11 0 "[ . 1 . 2]"
1 67 MET 1.595 0.138 19 0 "[ . 1 . 2]"
1 68 LEU 2.187 0.226 20 0 "[ . 1 . 2]"
1 69 ARG 0.030 0.023 9 0 "[ . 1 . 2]"
1 70 LYS 0.273 0.093 11 0 "[ . 1 . 2]"
1 71 ASP 0.421 0.123 15 0 "[ . 1 . 2]"
1 72 GLY 1.593 0.226 20 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 13 PRO O 1 17 VAL H 1.700 . 2.300 1.979 1.732 2.099 . 0 0 "[ . 1 . 2]" 2
2 1 13 PRO O 1 17 VAL N 2.700 2.700 3.300 2.926 2.671 3.046 0.029 2 0 "[ . 1 . 2]" 2
3 1 14 LYS O 1 18 GLN H 1.700 . 2.300 1.844 1.713 2.235 . 0 0 "[ . 1 . 2]" 2
4 1 14 LYS O 1 18 GLN N 2.700 2.700 3.300 2.787 2.627 3.183 0.073 9 0 "[ . 1 . 2]" 2
5 1 15 GLU O 1 19 ILE H 1.700 . 2.300 2.188 1.978 2.308 0.008 8 0 "[ . 1 . 2]" 2
6 1 15 GLU O 1 19 ILE N 2.700 2.700 3.300 3.145 2.946 3.268 . 0 0 "[ . 1 . 2]" 2
7 1 16 SER O 1 20 LEU H 1.700 . 2.300 1.997 1.782 2.215 . 0 0 "[ . 1 . 2]" 2
8 1 16 SER O 1 20 LEU N 2.700 2.700 3.300 2.953 2.733 3.179 . 0 0 "[ . 1 . 2]" 2
9 1 17 VAL O 1 21 ARG H 1.700 . 2.300 1.741 1.685 2.002 0.015 9 0 "[ . 1 . 2]" 2
10 1 17 VAL O 1 21 ARG N 2.700 2.700 3.300 2.676 2.613 2.961 0.087 4 0 "[ . 1 . 2]" 2
11 1 18 GLN O 1 22 ASP H 1.700 . 2.300 1.981 1.834 2.165 . 0 0 "[ . 1 . 2]" 2
12 1 18 GLN O 1 22 ASP N 2.700 2.700 3.300 2.903 2.751 3.085 . 0 0 "[ . 1 . 2]" 2
13 1 19 ILE O 1 23 TRP H 1.700 . 2.300 2.249 2.018 2.411 0.111 13 0 "[ . 1 . 2]" 2
14 1 19 ILE O 1 23 TRP N 2.700 2.700 3.300 3.202 2.983 3.360 0.060 13 0 "[ . 1 . 2]" 2
15 1 21 ARG O 1 25 TYR H 1.700 . 2.300 1.852 1.670 2.136 0.030 19 0 "[ . 1 . 2]" 2
16 1 21 ARG O 1 25 TYR N 2.700 2.700 3.300 2.785 2.584 3.108 0.116 19 0 "[ . 1 . 2]" 2
17 1 22 ASP O 1 26 GLU H 1.700 . 2.300 2.106 1.794 2.519 0.219 20 0 "[ . 1 . 2]" 2
18 1 22 ASP O 1 26 GLU N 2.700 2.700 3.300 3.050 2.748 3.477 0.177 20 0 "[ . 1 . 2]" 2
19 1 23 TRP O 1 27 HIS H 1.700 . 2.300 2.117 1.847 2.398 0.098 4 0 "[ . 1 . 2]" 2
20 1 23 TRP O 1 27 HIS N 2.700 2.700 3.300 2.995 2.675 3.336 0.036 4 0 "[ . 1 . 2]" 2
21 1 34 SER O 1 38 LYS H 1.700 . 2.300 2.020 1.723 2.372 0.072 13 0 "[ . 1 . 2]" 2
22 1 34 SER O 1 38 LYS N 2.700 2.700 3.300 2.976 2.678 3.344 0.044 13 0 "[ . 1 . 2]" 2
23 1 35 GLU O 1 39 ALA H 1.700 . 2.300 1.970 1.803 2.343 0.043 20 0 "[ . 1 . 2]" 2
24 1 35 GLU O 1 39 ALA N 2.700 2.700 3.300 2.880 2.693 3.198 0.007 10 0 "[ . 1 . 2]" 2
25 1 36 GLN O 1 40 LEU H 1.700 . 2.300 2.157 1.869 2.364 0.064 18 0 "[ . 1 . 2]" 2
26 1 36 GLN O 1 40 LEU N 2.700 2.700 3.300 3.080 2.766 3.305 0.005 18 0 "[ . 1 . 2]" 2
27 1 37 GLU O 1 41 LEU H 1.700 . 2.300 2.079 1.769 2.311 0.011 9 0 "[ . 1 . 2]" 2
28 1 37 GLU O 1 41 LEU N 2.700 2.700 3.300 3.037 2.713 3.284 . 0 0 "[ . 1 . 2]" 2
29 1 38 LYS O 1 42 SER H 1.700 . 2.300 1.858 1.702 2.148 . 0 0 "[ . 1 . 2]" 2
30 1 38 LYS O 1 42 SER N 2.700 2.700 3.300 2.789 2.622 3.078 0.078 9 0 "[ . 1 . 2]" 2
31 1 39 ALA O 1 43 GLN H 1.700 . 2.300 2.082 1.879 2.287 . 0 0 "[ . 1 . 2]" 2
32 1 39 ALA O 1 43 GLN N 2.700 2.700 3.300 2.997 2.819 3.208 . 0 0 "[ . 1 . 2]" 2
33 1 40 LEU O 1 44 GLN H 1.700 . 2.300 2.131 1.708 2.331 0.031 5 0 "[ . 1 . 2]" 2
34 1 40 LEU O 1 44 GLN N 2.700 2.700 3.300 3.055 2.673 3.250 0.027 13 0 "[ . 1 . 2]" 2
35 1 48 SER O 1 52 VAL H 1.700 . 2.300 2.091 1.941 2.265 . 0 0 "[ . 1 . 2]" 2
36 1 48 SER O 1 52 VAL N 2.700 2.700 3.300 3.040 2.880 3.217 . 0 0 "[ . 1 . 2]" 2
37 1 49 THR O 1 53 CYS H 1.700 . 2.300 1.872 1.744 2.073 . 0 0 "[ . 1 . 2]" 2
38 1 49 THR O 1 53 CYS N 2.700 2.700 3.300 2.823 2.689 3.030 0.011 1 0 "[ . 1 . 2]" 2
39 1 50 LEU O 1 54 ASN H 1.700 . 2.300 2.114 1.901 2.323 0.023 7 0 "[ . 1 . 2]" 2
40 1 50 LEU O 1 54 ASN N 2.700 2.700 3.300 3.071 2.863 3.291 . 0 0 "[ . 1 . 2]" 2
41 1 51 GLN O 1 55 TRP H 1.700 . 2.300 2.062 1.815 2.280 . 0 0 "[ . 1 . 2]" 2
42 1 51 GLN O 1 55 TRP N 2.700 2.700 3.300 2.994 2.699 3.229 0.001 15 0 "[ . 1 . 2]" 2
43 1 52 VAL O 1 56 PHE H 1.700 . 2.300 1.857 1.669 2.248 0.031 11 0 "[ . 1 . 2]" 2
44 1 52 VAL O 1 56 PHE N 2.700 2.700 3.300 2.777 2.580 3.186 0.120 11 0 "[ . 1 . 2]" 2
45 1 53 CYS O 1 57 ILE H 1.700 . 2.300 2.192 1.934 2.401 0.101 19 0 "[ . 1 . 2]" 2
46 1 53 CYS O 1 57 ILE N 2.700 2.700 3.300 3.143 2.902 3.343 0.043 15 0 "[ . 1 . 2]" 2
47 1 54 ASN O 1 58 ASN H 1.700 . 2.300 2.244 2.057 2.428 0.128 14 0 "[ . 1 . 2]" 2
48 1 54 ASN O 1 58 ASN N 2.700 2.700 3.300 3.212 3.013 3.399 0.099 14 0 "[ . 1 . 2]" 2
49 1 55 TRP O 1 59 ALA H 1.700 . 2.300 1.704 1.668 1.762 0.032 3 0 "[ . 1 . 2]" 2
50 1 55 TRP O 1 59 ALA N 2.700 2.700 3.300 2.622 2.568 2.691 0.132 15 0 "[ . 1 . 2]" 2
51 1 56 PHE O 1 60 ARG H 1.700 . 2.300 1.870 1.740 2.251 . 0 0 "[ . 1 . 2]" 2
52 1 56 PHE O 1 60 ARG N 2.700 2.700 3.300 2.771 2.620 3.209 0.080 19 0 "[ . 1 . 2]" 2
53 1 57 ILE O 1 61 ARG H 1.700 . 2.300 2.239 1.862 2.431 0.131 16 0 "[ . 1 . 2]" 2
54 1 57 ILE O 1 61 ARG N 2.700 2.700 3.300 3.164 2.765 3.407 0.107 16 0 "[ . 1 . 2]" 2
55 1 58 ASN O 1 62 ARG H 1.700 . 2.300 2.355 2.094 2.569 0.269 20 0 "[ . 1 . 2]" 2
56 1 58 ASN O 1 62 ARG N 2.700 2.700 3.300 2.994 2.831 3.162 . 0 0 "[ . 1 . 2]" 2
57 1 59 ALA O 1 63 LEU H 1.700 . 2.300 1.894 1.666 2.195 0.034 19 0 "[ . 1 . 2]" 2
58 1 59 ALA O 1 63 LEU N 2.700 2.700 3.300 2.626 2.531 2.730 0.169 15 0 "[ . 1 . 2]" 2
59 1 60 ARG O 1 64 LEU H 1.700 . 2.300 2.212 1.778 2.464 0.164 12 0 "[ . 1 . 2]" 2
60 1 60 ARG O 1 64 LEU N 2.700 2.700 3.300 2.976 2.659 3.321 0.041 8 0 "[ . 1 . 2]" 2
61 1 63 LEU O 1 67 MET H 1.700 . 2.300 1.929 1.613 2.375 0.087 11 0 "[ . 1 . 2]" 2
62 1 63 LEU O 1 67 MET N 2.700 2.700 3.300 2.884 2.562 3.337 0.138 19 0 "[ . 1 . 2]" 2
63 1 64 LEU O 1 68 LEU H 1.700 . 2.300 1.819 1.632 2.250 0.068 12 0 "[ . 1 . 2]" 2
64 1 64 LEU O 1 68 LEU N 2.700 2.700 3.300 2.772 2.599 3.162 0.101 12 0 "[ . 1 . 2]" 2
65 1 65 PRO O 1 69 ARG H 1.700 . 2.300 2.056 1.796 2.323 0.023 9 0 "[ . 1 . 2]" 2
66 1 65 PRO O 1 69 ARG N 2.700 2.700 3.300 2.966 2.704 3.247 . 0 0 "[ . 1 . 2]" 2
67 1 66 ASP O 1 70 LYS H 1.700 . 2.300 2.028 1.722 2.328 0.028 20 0 "[ . 1 . 2]" 2
68 1 66 ASP O 1 70 LYS N 2.700 2.700 3.300 2.920 2.607 3.251 0.093 11 0 "[ . 1 . 2]" 2
69 1 67 MET O 1 71 ASP H 1.700 . 2.300 2.083 1.722 2.423 0.123 15 0 "[ . 1 . 2]" 2
70 1 67 MET O 1 71 ASP N 2.700 2.700 3.300 3.033 2.666 3.355 0.055 15 0 "[ . 1 . 2]" 2
71 1 68 LEU O 1 72 GLY H 1.700 . 2.300 2.179 1.724 2.526 0.226 20 0 "[ . 1 . 2]" 2
72 1 68 LEU O 1 72 GLY N 2.700 2.700 3.300 2.731 2.572 3.186 0.128 6 0 "[ . 1 . 2]" 2
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