NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374713 |
1eiw   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eiw
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 516
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 111.802
_Distance_constraint_stats_list.Viol_max 0.199
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0357
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLU 0.046 0.029 11 0 "[ . 1 . ]"
1 5 ILE 0.036 0.036 10 0 "[ . 1 . ]"
1 6 ARG 0.007 0.007 1 0 "[ . 1 . ]"
1 7 LEU 0.456 0.105 4 0 "[ . 1 . ]"
1 8 TYR 0.032 0.010 12 0 "[ . 1 . ]"
1 9 ILE 0.200 0.066 4 0 "[ . 1 . ]"
1 10 THR 0.020 0.012 1 0 "[ . 1 . ]"
1 11 GLU 0.005 0.005 4 0 "[ . 1 . ]"
1 12 GLY 0.138 0.050 3 0 "[ . 1 . ]"
1 13 GLU 0.041 0.018 13 0 "[ . 1 . ]"
1 14 VAL 0.067 0.045 16 0 "[ . 1 . ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 16 ASP 0.001 0.001 15 0 "[ . 1 . ]"
1 17 TYR 0.073 0.045 16 0 "[ . 1 . ]"
1 18 ARG 0.032 0.032 13 0 "[ . 1 . ]"
1 19 VAL 0.000 0.000 7 0 "[ . 1 . ]"
1 20 PHE 0.069 0.051 14 0 "[ . 1 . ]"
1 21 LEU 0.099 0.066 4 0 "[ . 1 . ]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 23 ARG 0.013 0.013 1 0 "[ . 1 . ]"
1 24 LEU 0.319 0.154 8 0 "[ . 1 . ]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 27 SER 0.026 0.010 6 0 "[ . 1 . ]"
1 28 GLY 0.012 0.010 6 0 "[ . 1 . ]"
1 29 LEU 0.024 0.017 11 0 "[ . 1 . ]"
1 30 GLU 0.077 0.029 11 0 "[ . 1 . ]"
1 31 TRP 0.224 0.075 16 0 "[ . 1 . ]"
1 32 ARG 0.101 0.034 4 0 "[ . 1 . ]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 34 ALA 0.008 0.007 1 0 "[ . 1 . ]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ASP 0.001 0.001 12 0 "[ . 1 . ]"
1 39 ALA 0.031 0.030 11 0 "[ . 1 . ]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 41 ALA 0.044 0.030 11 0 "[ . 1 . ]"
1 42 VAL 0.011 0.009 3 0 "[ . 1 . ]"
1 43 ILE 0.461 0.136 4 0 "[ . 1 . ]"
1 44 VAL 0.269 0.124 16 0 "[ . 1 . ]"
1 45 LEU 0.223 0.056 14 0 "[ . 1 . ]"
1 46 ALA 0.303 0.120 9 0 "[ . 1 . ]"
1 47 GLY 0.008 0.007 6 0 "[ . 1 . ]"
1 48 LEU 0.121 0.050 3 0 "[ . 1 . ]"
1 49 TRP 0.365 0.059 6 0 "[ . 1 . ]"
1 50 GLY 0.002 0.002 15 0 "[ . 1 . ]"
1 51 THR 0.045 0.042 11 0 "[ . 1 . ]"
1 52 ARG 0.042 0.042 11 0 "[ . 1 . ]"
1 53 ARG 0.050 0.021 15 0 "[ . 1 . ]"
1 54 ASP 0.007 0.007 6 0 "[ . 1 . ]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 56 ILE 0.277 0.124 16 0 "[ . 1 . ]"
1 57 LEU 0.010 0.007 6 0 "[ . 1 . ]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 60 VAL 0.003 0.003 16 0 "[ . 1 . ]"
1 61 ASP 0.006 0.004 13 0 "[ . 1 . ]"
1 62 LEU 0.017 0.009 3 0 "[ . 1 . ]"
1 63 ALA 0.473 0.144 2 0 "[ . 1 . ]"
1 64 ARG 0.004 0.004 13 0 "[ . 1 . ]"
1 65 LYS 0.015 0.009 3 0 "[ . 1 . ]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 67 SER 0.063 0.060 6 0 "[ . 1 . ]"
1 68 LYS 0.069 0.060 6 0 "[ . 1 . ]"
1 69 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 70 ILE 0.482 0.144 2 0 "[ . 1 . ]"
1 71 ILE 0.758 0.199 11 0 "[ . 1 . ]"
1 72 THR 0.216 0.154 2 0 "[ . 1 . ]"
1 73 VAL 0.332 0.136 4 0 "[ . 1 . ]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 75 PRO 0.014 0.007 6 0 "[ . 1 . ]"
1 76 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 79 GLU 1.797 0.113 13 0 "[ . 1 . ]"
1 80 ASN 1.797 0.113 13 0 "[ . 1 . ]"
1 81 VAL 0.169 0.120 9 0 "[ . 1 . ]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 84 GLU 0.075 0.031 4 0 "[ . 1 . ]"
1 85 LEU 0.379 0.154 2 0 "[ . 1 . ]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 87 ALA 0.075 0.031 4 0 "[ . 1 . ]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 89 SER 0.008 0.008 8 0 "[ . 1 . ]"
1 90 SER 0.014 0.014 2 0 "[ . 1 . ]"
1 91 GLU 0.031 0.023 8 0 "[ . 1 . ]"
1 92 VAL 0.023 0.023 8 0 "[ . 1 . ]"
1 93 VAL 1.313 0.199 11 0 "[ . 1 . ]"
1 94 GLY 0.201 0.035 11 0 "[ . 1 . ]"
1 95 TRP 0.171 0.035 11 0 "[ . 1 . ]"
1 96 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 98 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 99 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 100 ILE 0.179 0.154 8 0 "[ . 1 . ]"
1 101 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 103 ALA 0.382 0.085 7 0 "[ . 1 . ]"
1 104 LEU 0.133 0.097 10 0 "[ . 1 . ]"
1 105 GLU 0.006 0.005 3 0 "[ . 1 . ]"
1 106 ASP 0.022 0.017 2 0 "[ . 1 . ]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 108 LEU 0.015 0.015 1 0 "[ . 1 . ]"
1 109 ASP 0.015 0.015 1 0 "[ . 1 . ]"
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 5 ILE HA 1 6 ARG H 1.800 . 2.500 2.317 2.195 2.453 . 0 0 "[ . 1 . ]" 1
2 1 6 ARG HA 1 7 LEU H 1.800 . 2.500 2.209 2.182 2.257 . 0 0 "[ . 1 . ]" 1
3 1 7 LEU HA 1 8 TYR H 1.800 . 2.500 2.460 2.334 2.510 0.010 12 0 "[ . 1 . ]" 1
4 1 8 TYR HA 1 9 ILE H 1.800 . 2.500 2.235 2.190 2.292 . 0 0 "[ . 1 . ]" 1
5 1 9 ILE HA 1 10 THR H 1.800 . 3.000 2.258 2.192 2.419 . 0 0 "[ . 1 . ]" 1
6 1 10 THR HA 1 11 GLU H 1.800 . 3.000 2.342 2.193 2.822 . 0 0 "[ . 1 . ]" 1
7 1 11 GLU HA 1 12 GLY H 1.800 . 2.500 2.271 2.191 2.488 . 0 0 "[ . 1 . ]" 1
8 1 12 GLY HA3 1 13 GLU H 1.800 . 3.000 2.616 2.274 3.006 0.006 4 0 "[ . 1 . ]" 1
9 1 12 GLY HA2 1 13 GLU H 1.800 . 3.000 2.631 2.281 3.018 0.018 13 0 "[ . 1 . ]" 1
10 1 14 VAL HA 1 15 GLU H 1.800 . 4.000 2.481 2.236 2.722 . 0 0 "[ . 1 . ]" 1
11 1 29 LEU HA 1 30 GLU H 1.800 . 2.500 2.368 2.212 2.517 0.017 11 0 "[ . 1 . ]" 1
12 1 30 GLU HA 1 31 TRP H 1.800 . 3.000 2.349 2.192 3.007 0.007 7 0 "[ . 1 . ]" 1
13 1 31 TRP HA 1 32 ARG H 1.800 . 2.500 2.392 2.270 2.534 0.034 4 0 "[ . 1 . ]" 1
14 1 33 PRO HA 1 34 ALA H 1.800 . 2.500 2.254 2.214 2.339 . 0 0 "[ . 1 . ]" 1
15 1 34 ALA HA 1 35 THR H 1.800 . 3.000 2.580 2.277 2.955 . 0 0 "[ . 1 . ]" 1
16 1 38 ASP HA 1 39 ALA H 1.800 . 3.000 2.836 2.592 3.001 0.001 12 0 "[ . 1 . ]" 1
17 1 39 ALA HA 1 40 ASP H 1.800 . 3.000 2.215 2.192 2.296 . 0 0 "[ . 1 . ]" 1
18 1 41 ALA HA 1 42 VAL H 1.800 . 3.000 2.223 2.187 2.347 . 0 0 "[ . 1 . ]" 1
19 1 42 VAL HA 1 43 ILE H 1.800 . 3.000 2.236 2.193 2.347 . 0 0 "[ . 1 . ]" 1
20 1 43 ILE HA 1 44 VAL H 1.800 . 2.500 2.235 2.189 2.318 . 0 0 "[ . 1 . ]" 1
21 1 44 VAL HA 1 45 LEU H 1.800 . 2.500 2.207 2.189 2.229 . 0 0 "[ . 1 . ]" 1
22 1 45 LEU HA 1 46 ALA H 1.800 . 3.000 2.213 2.191 2.300 . 0 0 "[ . 1 . ]" 1
23 1 49 TRP HA 1 50 GLY H 1.800 . 4.000 3.429 3.063 3.562 . 0 0 "[ . 1 . ]" 1
24 1 50 GLY QA 1 51 THR H 1.800 . 4.000 2.810 2.357 2.934 . 0 0 "[ . 1 . ]" 1
25 1 52 ARG HA 1 53 ARG H 1.800 . 4.000 2.674 2.472 2.935 . 0 0 "[ . 1 . ]" 1
26 1 69 PRO HA 1 70 ILE H 1.800 . 3.000 2.266 2.213 2.770 . 0 0 "[ . 1 . ]" 1
27 1 70 ILE HA 1 71 ILE H 1.800 . 2.500 2.219 2.180 2.308 . 0 0 "[ . 1 . ]" 1
28 1 71 ILE HA 1 72 THR H 1.800 . 2.500 2.209 2.190 2.303 . 0 0 "[ . 1 . ]" 1
29 1 72 THR HA 1 73 VAL H 1.800 . 2.500 2.248 2.190 2.365 . 0 0 "[ . 1 . ]" 1
30 1 73 VAL HA 1 74 ARG H 1.800 . 2.500 2.197 2.178 2.214 . 0 0 "[ . 1 . ]" 1
31 1 75 PRO HA 1 76 TYR H 1.800 . 3.000 2.513 2.282 2.848 . 0 0 "[ . 1 . ]" 1
32 1 77 GLY HA3 1 78 LEU H 1.800 . 4.000 3.396 2.272 3.587 . 0 0 "[ . 1 . ]" 1
33 1 77 GLY HA2 1 78 LEU H 1.800 . 4.000 2.789 2.201 3.487 . 0 0 "[ . 1 . ]" 1
34 1 79 GLU HA 1 80 ASN H 1.800 . 3.000 2.785 2.168 3.113 0.113 13 0 "[ . 1 . ]" 1
35 1 80 ASN HA 1 81 VAL H 1.800 . 3.000 2.465 2.192 2.851 . 0 0 "[ . 1 . ]" 1
36 1 89 SER HA 1 90 SER H 1.800 . 2.500 2.242 2.202 2.365 . 0 0 "[ . 1 . ]" 1
37 1 91 GLU HA 1 92 VAL H 1.800 . 2.500 2.332 2.194 2.523 0.023 8 0 "[ . 1 . ]" 1
38 1 92 VAL HA 1 93 VAL H 1.800 . 2.500 2.253 2.188 2.386 . 0 0 "[ . 1 . ]" 1
39 1 93 VAL HA 1 94 GLY H 1.800 . 3.000 2.359 2.221 2.709 . 0 0 "[ . 1 . ]" 1
40 1 94 GLY HA3 1 95 TRP H 1.800 . 3.000 2.313 2.258 2.419 . 0 0 "[ . 1 . ]" 1
41 1 94 GLY HA2 1 95 TRP H 1.800 . 3.000 2.967 2.824 3.035 0.035 11 0 "[ . 1 . ]" 1
42 1 81 VAL HA 1 82 PRO HD3 1.800 . 5.000 1.975 1.897 2.508 . 0 0 "[ . 1 . ]" 1
43 1 81 VAL HA 1 82 PRO HD2 1.800 . 5.000 2.376 2.132 2.631 . 0 0 "[ . 1 . ]" 1
44 1 82 PRO HA 1 83 PRO QD 1.800 . 5.000 1.973 1.869 2.083 . 0 0 "[ . 1 . ]" 1
45 1 96 ASN HA 1 97 PRO HD3 1.800 . 5.000 1.951 1.905 2.081 . 0 0 "[ . 1 . ]" 1
46 1 96 ASN HA 1 97 PRO HD2 1.800 . 5.000 2.526 2.407 2.780 . 0 0 "[ . 1 . ]" 1
47 1 35 THR MG 1 36 PRO HD3 1.800 . 5.000 2.619 2.091 3.320 . 0 0 "[ . 1 . ]" 1
48 1 35 THR MG 1 36 PRO HD2 1.800 . 5.000 2.213 1.850 3.029 . 0 0 "[ . 1 . ]" 1
49 1 36 PRO QD 1 37 GLU H 1.800 . 5.000 2.680 2.272 4.225 . 0 0 "[ . 1 . ]" 1
50 1 83 PRO QD 1 84 GLU H 1.800 . 5.000 2.698 2.297 4.222 . 0 0 "[ . 1 . ]" 1
51 1 12 GLY QA 1 14 VAL H 1.800 . 5.000 3.530 3.146 4.113 . 0 0 "[ . 1 . ]" 1
52 1 14 VAL HA 1 16 ASP H 1.800 . 5.000 4.116 3.800 4.422 . 0 0 "[ . 1 . ]" 1
53 1 39 ALA HA 1 41 ALA H 1.800 . 4.000 3.899 3.722 4.030 0.030 11 0 "[ . 1 . ]" 1
54 1 89 SER HA 1 91 GLU H 1.800 . 4.000 3.814 3.494 4.008 0.008 8 0 "[ . 1 . ]" 1
55 1 94 GLY QA 1 96 ASN H 1.800 . 5.000 3.505 3.070 4.107 . 0 0 "[ . 1 . ]" 1
56 1 35 THR HB 1 37 GLU H 1.800 . 4.000 2.300 1.995 3.953 . 0 0 "[ . 1 . ]" 1
57 1 39 ALA MB 1 41 ALA H 1.800 . 5.000 3.018 2.588 3.528 . 0 0 "[ . 1 . ]" 1
58 1 82 PRO QB 1 84 GLU H 1.800 . 5.000 2.355 2.124 3.827 . 0 0 "[ . 1 . ]" 1
59 1 89 SER QB 1 91 GLU H 1.800 . 5.000 3.533 2.642 4.355 . 0 0 "[ . 1 . ]" 1
60 1 14 VAL MG1 1 16 ASP H 1.800 . 5.000 3.605 1.859 4.219 . 0 0 "[ . 1 . ]" 1
61 1 14 VAL MG2 1 16 ASP H 1.800 . 5.000 2.971 1.846 4.184 . 0 0 "[ . 1 . ]" 1
62 1 15 GLU HA 1 18 ARG H 1.800 . 4.000 3.403 3.148 3.692 . 0 0 "[ . 1 . ]" 1
63 1 17 TYR HA 1 20 PHE H 1.800 . 4.000 3.634 3.332 3.894 . 0 0 "[ . 1 . ]" 1
64 1 18 ARG HA 1 21 LEU H 1.800 . 4.000 3.634 3.316 4.032 0.032 13 0 "[ . 1 . ]" 1
65 1 19 VAL HA 1 22 GLU H 1.800 . 4.000 3.548 3.270 3.968 . 0 0 "[ . 1 . ]" 1
66 1 20 PHE HA 1 23 ARG H 1.800 . 4.000 3.469 3.265 3.824 . 0 0 "[ . 1 . ]" 1
67 1 21 LEU HA 1 24 LEU H 1.800 . 4.000 3.480 3.208 3.836 . 0 0 "[ . 1 . ]" 1
68 1 22 GLU HA 1 25 GLU H 1.800 . 4.000 3.669 3.400 3.975 . 0 0 "[ . 1 . ]" 1
69 1 24 LEU HA 1 27 SER H 1.800 . 4.000 3.660 3.328 4.008 0.008 7 0 "[ . 1 . ]" 1
70 1 46 ALA HA 1 49 TRP H 1.800 . 4.000 3.919 3.518 4.038 0.038 2 0 "[ . 1 . ]" 1
71 1 48 LEU HA 1 51 THR H 1.800 . 5.000 3.955 3.609 4.921 . 0 0 "[ . 1 . ]" 1
72 1 53 ARG HA 1 56 ILE H 1.800 . 4.000 3.574 3.251 3.907 . 0 0 "[ . 1 . ]" 1
73 1 54 ASP HA 1 57 LEU H 1.800 . 4.000 3.672 3.238 4.007 0.007 6 0 "[ . 1 . ]" 1
74 1 56 ILE HA 1 59 ALA H 1.800 . 4.000 3.498 3.252 3.843 . 0 0 "[ . 1 . ]" 1
75 1 57 LEU HA 1 60 VAL H 1.800 . 4.000 3.673 3.420 4.003 0.003 16 0 "[ . 1 . ]" 1
76 1 58 GLY QA 1 61 ASP H 1.800 . 4.000 3.397 3.072 3.692 . 0 0 "[ . 1 . ]" 1
77 1 60 VAL HA 1 63 ALA H 1.800 . 4.000 3.344 3.142 3.601 . 0 0 "[ . 1 . ]" 1
78 1 61 ASP HA 1 64 ARG H 1.800 . 4.000 3.526 3.214 4.004 0.004 13 0 "[ . 1 . ]" 1
79 1 62 LEU HA 1 65 LYS H 1.800 . 4.000 3.642 3.267 4.009 0.009 3 0 "[ . 1 . ]" 1
80 1 83 PRO HA 1 86 GLU H 1.800 . 4.000 3.330 2.935 3.871 . 0 0 "[ . 1 . ]" 1
81 1 84 GLU HA 1 87 ALA H 1.800 . 4.000 3.856 3.561 4.031 0.031 4 0 "[ . 1 . ]" 1
82 1 85 LEU HA 1 88 VAL H 1.800 . 4.000 3.522 3.104 3.990 . 0 0 "[ . 1 . ]" 1
83 1 86 GLU HA 1 89 SER H 1.800 . 4.000 3.506 3.025 3.893 . 0 0 "[ . 1 . ]" 1
84 1 98 HIS HA 1 101 ARG H 1.800 . 4.000 3.575 3.222 3.980 . 0 0 "[ . 1 . ]" 1
85 1 101 ARG HA 1 104 LEU H 1.800 . 4.000 3.571 3.130 3.862 . 0 0 "[ . 1 . ]" 1
86 1 102 ASP HA 1 105 GLU H 1.800 . 4.000 3.552 3.313 3.963 . 0 0 "[ . 1 . ]" 1
87 1 103 ALA HA 1 106 ASP H 1.800 . 4.000 3.663 3.245 4.017 0.017 2 0 "[ . 1 . ]" 1
88 1 104 LEU HA 1 107 ALA H 1.800 . 4.000 3.470 2.965 3.933 . 0 0 "[ . 1 . ]" 1
89 1 105 GLU HA 1 108 LEU H 1.800 . 4.000 3.563 3.078 4.001 0.001 6 0 "[ . 1 . ]" 1
90 1 54 ASP HA 1 58 GLY H 1.800 . 5.000 4.312 3.411 4.883 . 0 0 "[ . 1 . ]" 1
91 1 83 PRO HA 1 87 ALA H 1.800 . 5.000 4.665 3.913 4.940 . 0 0 "[ . 1 . ]" 1
92 1 10 THR HB 1 11 GLU H 1.800 . 4.000 3.318 1.896 4.005 0.005 4 0 "[ . 1 . ]" 1
93 1 11 GLU QB 1 12 GLY H 1.800 . 5.000 3.277 2.532 3.785 . 0 0 "[ . 1 . ]" 1
94 1 13 GLU QB 1 14 VAL H 1.800 . 5.000 3.703 2.841 4.057 . 0 0 "[ . 1 . ]" 1
95 1 15 GLU QB 1 16 ASP H 1.800 . 5.000 3.204 2.424 3.842 . 0 0 "[ . 1 . ]" 1
96 1 16 ASP QB 1 17 TYR H 1.800 . 5.000 2.369 1.874 2.987 . 0 0 "[ . 1 . ]" 1
97 1 17 TYR QB 1 18 ARG H 1.800 . 4.000 2.748 2.408 3.006 . 0 0 "[ . 1 . ]" 1
98 1 19 VAL HB 1 20 PHE H 1.800 . 3.000 2.600 2.182 2.884 . 0 0 "[ . 1 . ]" 1
99 1 20 PHE QB 1 21 LEU H 1.800 . 5.000 2.372 2.126 2.675 . 0 0 "[ . 1 . ]" 1
100 1 21 LEU QB 1 22 GLU H 1.800 . 5.000 2.656 2.213 3.034 . 0 0 "[ . 1 . ]" 1
101 1 23 ARG QB 1 24 LEU H 1.800 . 5.000 2.719 2.109 3.146 . 0 0 "[ . 1 . ]" 1
102 1 24 LEU QB 1 25 GLU H 1.800 . 5.000 2.665 2.097 3.278 . 0 0 "[ . 1 . ]" 1
103 1 26 GLN QB 1 27 SER H 1.800 . 5.000 2.946 2.299 3.766 . 0 0 "[ . 1 . ]" 1
104 1 31 TRP HB3 1 32 ARG H 1.800 . 4.000 3.902 3.699 4.027 0.027 13 0 "[ . 1 . ]" 1
105 1 31 TRP HB2 1 32 ARG H 1.800 . 4.000 2.639 2.282 2.946 . 0 0 "[ . 1 . ]" 1
106 1 33 PRO QB 1 34 ALA H 1.800 . 5.000 3.393 2.904 3.804 . 0 0 "[ . 1 . ]" 1
107 1 34 ALA MB 1 35 THR H 1.800 . 4.000 2.317 1.816 2.838 . 0 0 "[ . 1 . ]" 1
108 1 36 PRO QB 1 37 GLU H 1.800 . 5.000 3.626 3.208 4.014 . 0 0 "[ . 1 . ]" 1
109 1 37 GLU QB 1 38 ASP H 1.800 . 5.000 3.026 2.067 3.985 . 0 0 "[ . 1 . ]" 1
110 1 38 ASP QB 1 39 ALA H 1.800 . 5.000 3.854 3.749 3.980 . 0 0 "[ . 1 . ]" 1
111 1 39 ALA MB 1 40 ASP H 1.800 . 5.000 3.227 2.768 3.544 . 0 0 "[ . 1 . ]" 1
112 1 40 ASP QB 1 41 ALA H 1.800 . 5.000 2.666 2.408 2.857 . 0 0 "[ . 1 . ]" 1
113 1 46 ALA MB 1 47 GLY H 1.800 . 5.000 3.228 2.647 3.585 . 0 0 "[ . 1 . ]" 1
114 1 49 TRP QB 1 50 GLY H 1.800 . 4.000 3.185 2.556 3.680 . 0 0 "[ . 1 . ]" 1
115 1 51 THR HB 1 52 ARG H 1.800 . 4.000 3.523 2.611 4.042 0.042 11 0 "[ . 1 . ]" 1
116 1 53 ARG QB 1 54 ASP H 1.800 . 4.000 2.585 2.044 2.955 . 0 0 "[ . 1 . ]" 1
117 1 54 ASP QB 1 55 GLU H 1.800 . 5.000 2.768 2.299 3.447 . 0 0 "[ . 1 . ]" 1
118 1 55 GLU QB 1 56 ILE H 1.800 . 5.000 2.506 2.159 2.833 . 0 0 "[ . 1 . ]" 1
119 1 56 ILE HB 1 57 LEU H 1.800 . 4.000 2.573 2.027 3.035 . 0 0 "[ . 1 . ]" 1
120 1 57 LEU QB 1 58 GLY H 1.800 . 5.000 2.621 2.215 3.064 . 0 0 "[ . 1 . ]" 1
121 1 59 ALA MB 1 60 VAL H 1.800 . 5.000 2.484 2.096 2.732 . 0 0 "[ . 1 . ]" 1
122 1 60 VAL HB 1 61 ASP H 1.800 . 4.000 2.572 2.139 2.897 . 0 0 "[ . 1 . ]" 1
123 1 61 ASP QB 1 62 LEU H 1.800 . 5.000 2.551 2.215 2.788 . 0 0 "[ . 1 . ]" 1
124 1 63 ALA MB 1 64 ARG H 1.800 . 4.000 2.714 2.194 3.084 . 0 0 "[ . 1 . ]" 1
125 1 65 LYS QB 1 66 SER H 1.800 . 4.000 3.013 2.169 3.644 . 0 0 "[ . 1 . ]" 1
126 1 69 PRO QB 1 70 ILE H 1.800 . 5.000 3.561 3.123 4.022 . 0 0 "[ . 1 . ]" 1
127 1 76 TYR QB 1 77 GLY H 1.800 . 5.000 2.825 1.956 3.652 . 0 0 "[ . 1 . ]" 1
128 1 79 GLU HB3 1 80 ASN H 1.800 . 4.000 3.050 1.873 4.086 0.086 4 0 "[ . 1 . ]" 1
129 1 79 GLU HB2 1 80 ASN H 1.800 . 4.000 3.393 1.865 4.102 0.102 8 0 "[ . 1 . ]" 1
130 1 80 ASN QB 1 81 VAL H 1.800 . 5.000 3.106 1.861 3.922 . 0 0 "[ . 1 . ]" 1
131 1 83 PRO QB 1 84 GLU H 1.800 . 5.000 3.652 3.177 3.972 . 0 0 "[ . 1 . ]" 1
132 1 84 GLU QB 1 85 LEU H 1.800 . 5.000 2.687 1.886 3.333 . 0 0 "[ . 1 . ]" 1
133 1 85 LEU QB 1 86 GLU H 1.800 . 5.000 3.007 2.555 3.287 . 0 0 "[ . 1 . ]" 1
134 1 86 GLU QB 1 87 ALA H 1.800 . 5.000 3.057 2.504 3.598 . 0 0 "[ . 1 . ]" 1
135 1 87 ALA MB 1 88 VAL H 1.800 . 5.000 2.924 2.418 3.402 . 0 0 "[ . 1 . ]" 1
136 1 89 SER QB 1 90 SER H 1.800 . 5.000 3.452 2.703 4.012 . 0 0 "[ . 1 . ]" 1
137 1 90 SER QB 1 91 GLU H 1.800 . 5.000 2.882 2.572 3.588 . 0 0 "[ . 1 . ]" 1
138 1 91 GLU QB 1 92 VAL H 1.800 . 5.000 3.025 2.416 3.721 . 0 0 "[ . 1 . ]" 1
139 1 93 VAL HB 1 94 GLY H 1.800 . 4.000 3.313 1.980 4.030 0.030 3 0 "[ . 1 . ]" 1
140 1 98 HIS QB 1 99 CYS H 1.800 . 5.000 2.882 2.536 3.214 . 0 0 "[ . 1 . ]" 1
141 1 99 CYS QB 1 100 ILE H 1.800 . 5.000 2.667 2.206 3.235 . 0 0 "[ . 1 . ]" 1
142 1 103 ALA MB 1 104 LEU H 1.800 . 5.000 2.503 2.042 2.952 . 0 0 "[ . 1 . ]" 1
143 1 104 LEU QB 1 105 GLU H 1.800 . 5.000 2.823 2.080 3.550 . 0 0 "[ . 1 . ]" 1
144 1 107 ALA MB 1 108 LEU H 1.800 . 5.000 2.660 2.040 3.059 . 0 0 "[ . 1 . ]" 1
145 1 9 ILE MG 1 10 THR H 1.800 . 6.000 2.272 1.863 2.743 . 0 0 "[ . 1 . ]" 1
146 1 11 GLU QG 1 12 GLY H 1.800 . 5.000 3.378 2.065 4.162 . 0 0 "[ . 1 . ]" 1
147 1 43 ILE MG 1 44 VAL H 1.800 . 6.000 3.084 2.602 3.454 . 0 0 "[ . 1 . ]" 1
148 1 44 VAL MG1 1 45 LEU H 1.800 . 5.000 2.603 2.261 2.955 . 0 0 "[ . 1 . ]" 1
149 1 51 THR MG 1 52 ARG H 1.800 . 6.000 3.326 1.836 4.025 . 0 0 "[ . 1 . ]" 1
150 1 52 ARG QG 1 53 ARG H 1.800 . 6.000 4.469 4.207 4.638 . 0 0 "[ . 1 . ]" 1
151 1 55 GLU QG 1 56 ILE H 1.800 . 5.000 4.219 3.688 4.474 . 0 0 "[ . 1 . ]" 1
152 1 65 LYS QG 1 66 SER H 1.800 . 6.000 4.245 3.436 4.943 . 0 0 "[ . 1 . ]" 1
153 1 72 THR MG 1 73 VAL H 1.800 . 6.000 3.110 1.940 4.248 . 0 0 "[ . 1 . ]" 1
154 1 73 VAL MG1 1 74 ARG H 1.800 . 5.000 2.678 2.301 3.012 . 0 0 "[ . 1 . ]" 1
155 1 91 GLU QG 1 92 VAL H 1.800 . 5.000 3.390 1.891 4.337 . 0 0 "[ . 1 . ]" 1
156 1 16 ASP HA 1 19 VAL HB 1.800 . 4.000 3.188 2.631 3.733 . 0 0 "[ . 1 . ]" 1
157 1 36 PRO HA 1 39 ALA MB 1.800 . 5.000 2.990 2.012 3.671 . 0 0 "[ . 1 . ]" 1
158 1 53 ARG HA 1 56 ILE HB 1.800 . 4.000 2.989 2.409 3.468 . 0 0 "[ . 1 . ]" 1
159 1 56 ILE HA 1 59 ALA MB 1.800 . 5.000 2.777 2.346 3.369 . 0 0 "[ . 1 . ]" 1
160 1 57 LEU HA 1 60 VAL HB 1.800 . 4.000 3.006 2.523 3.553 . 0 0 "[ . 1 . ]" 1
161 1 59 ALA HA 1 62 LEU QB 1.800 . 5.000 2.948 2.543 3.486 . 0 0 "[ . 1 . ]" 1
162 1 60 VAL HA 1 63 ALA MB 1.800 . 4.000 2.521 2.074 3.100 . 0 0 "[ . 1 . ]" 1
163 1 62 LEU HA 1 65 LYS QB 1.800 . 5.000 3.000 2.046 3.952 . 0 0 "[ . 1 . ]" 1
164 1 83 PRO HA 1 86 GLU QB 1.800 . 5.000 2.562 1.911 4.166 . 0 0 "[ . 1 . ]" 1
165 1 84 GLU HA 1 87 ALA MB 1.800 . 5.000 3.329 2.515 3.794 . 0 0 "[ . 1 . ]" 1
166 1 97 PRO HA 1 100 ILE HB 1.800 . 5.000 3.608 2.504 4.482 . 0 0 "[ . 1 . ]" 1
167 1 100 ILE HA 1 103 ALA MB 1.800 . 5.000 2.794 2.229 3.479 . 0 0 "[ . 1 . ]" 1
168 1 104 LEU HA 1 107 ALA MB 1.800 . 5.000 2.943 1.929 3.833 . 0 0 "[ . 1 . ]" 1
169 1 16 ASP HA 1 19 VAL MG2 1.800 . 6.000 3.184 1.925 3.991 . 0 0 "[ . 1 . ]" 1
170 1 18 ARG HA 1 21 LEU QD 1.800 . 7.400 3.844 2.852 4.912 . 0 0 "[ . 1 . ]" 1
171 1 21 LEU HA 1 24 LEU QD 1.800 . 7.400 3.026 2.049 4.088 . 0 0 "[ . 1 . ]" 1
172 1 53 ARG HA 1 56 ILE MD 1.800 . 6.000 3.056 2.019 4.750 . 0 0 "[ . 1 . ]" 1
173 1 54 ASP HA 1 57 LEU QD 1.800 . 7.400 3.438 2.441 4.981 . 0 0 "[ . 1 . ]" 1
174 1 57 LEU HA 1 60 VAL MG1 1.800 . 6.000 4.278 3.766 4.884 . 0 0 "[ . 1 . ]" 1
175 1 57 LEU HA 1 60 VAL MG2 1.800 . 6.000 3.051 2.234 3.892 . 0 0 "[ . 1 . ]" 1
176 1 59 ALA HA 1 62 LEU QD 1.800 . 7.400 3.466 2.054 4.372 . 0 0 "[ . 1 . ]" 1
177 1 62 LEU HA 1 65 LYS QD 1.800 . 7.400 4.131 2.536 5.637 . 0 0 "[ . 1 . ]" 1
178 1 83 PRO HA 1 86 GLU QG 1.800 . 6.000 3.994 2.189 5.104 . 0 0 "[ . 1 . ]" 1
179 1 85 LEU HA 1 88 VAL QG 1.800 . 7.400 2.360 1.861 3.226 . 0 0 "[ . 1 . ]" 1
180 1 97 PRO HA 1 100 ILE MD 1.800 . 6.000 3.425 2.052 5.055 . 0 0 "[ . 1 . ]" 1
181 1 101 ARG HA 1 104 LEU QD 1.800 . 7.400 3.371 1.959 4.606 . 0 0 "[ . 1 . ]" 1
182 1 13 GLU H 1 14 VAL H 1.800 . 3.000 2.492 1.858 2.984 . 0 0 "[ . 1 . ]" 1
183 1 15 GLU H 1 16 ASP H 1.800 . 3.000 2.523 2.277 2.766 . 0 0 "[ . 1 . ]" 1
184 1 16 ASP H 1 17 TYR H 1.800 . 3.000 2.775 2.521 3.001 0.001 15 0 "[ . 1 . ]" 1
185 1 17 TYR H 1 18 ARG H 1.800 . 3.000 2.700 2.529 2.841 . 0 0 "[ . 1 . ]" 1
186 1 18 ARG H 1 19 VAL H 1.800 . 3.000 2.747 2.590 3.000 0.000 7 0 "[ . 1 . ]" 1
187 1 19 VAL H 1 20 PHE H 1.800 . 3.000 2.771 2.580 2.987 . 0 0 "[ . 1 . ]" 1
188 1 20 PHE H 1 21 LEU H 1.800 . 3.000 2.797 2.573 2.960 . 0 0 "[ . 1 . ]" 1
189 1 21 LEU H 1 22 GLU H 1.800 . 3.000 2.767 2.587 2.978 . 0 0 "[ . 1 . ]" 1
190 1 22 GLU H 1 23 ARG H 1.800 . 3.000 2.676 2.502 2.853 . 0 0 "[ . 1 . ]" 1
191 1 23 ARG H 1 24 LEU H 1.800 . 3.000 2.627 2.453 3.013 0.013 1 0 "[ . 1 . ]" 1
192 1 24 LEU H 1 25 GLU H 1.800 . 3.000 2.739 2.483 2.969 . 0 0 "[ . 1 . ]" 1
193 1 25 GLU H 1 26 GLN H 1.800 . 3.000 2.667 2.537 2.809 . 0 0 "[ . 1 . ]" 1
194 1 26 GLN H 1 27 SER H 1.800 . 3.000 2.678 2.550 2.821 . 0 0 "[ . 1 . ]" 1
195 1 27 SER H 1 28 GLY H 1.800 . 3.000 2.839 2.422 3.010 0.010 6 0 "[ . 1 . ]" 1
196 1 37 GLU H 1 38 ASP H 1.800 . 3.000 2.180 1.891 2.549 . 0 0 "[ . 1 . ]" 1
197 1 38 ASP H 1 39 ALA H 1.800 . 3.000 2.654 2.212 2.956 . 0 0 "[ . 1 . ]" 1
198 1 40 ASP H 1 41 ALA H 1.800 . 3.000 2.697 2.188 2.910 . 0 0 "[ . 1 . ]" 1
199 1 46 ALA H 1 47 GLY H 1.800 . 4.000 2.542 2.381 2.712 . 0 0 "[ . 1 . ]" 1
200 1 47 GLY H 1 48 LEU H 1.800 . 4.000 2.562 2.061 3.025 . 0 0 "[ . 1 . ]" 1
201 1 48 LEU H 1 49 TRP H 1.800 . 4.000 2.571 1.859 3.105 . 0 0 "[ . 1 . ]" 1
202 1 49 TRP H 1 50 GLY H 1.800 . 3.000 2.566 2.386 2.815 . 0 0 "[ . 1 . ]" 1
203 1 50 GLY H 1 51 THR H 1.800 . 3.000 2.698 2.104 3.002 0.002 15 0 "[ . 1 . ]" 1
204 1 51 THR H 1 52 ARG H 1.800 . 2.500 2.211 1.888 2.490 . 0 0 "[ . 1 . ]" 1
205 1 53 ARG H 1 54 ASP H 1.800 . 3.000 2.736 2.536 2.986 . 0 0 "[ . 1 . ]" 1
206 1 54 ASP H 1 55 GLU H 1.800 . 3.000 2.666 2.517 2.869 . 0 0 "[ . 1 . ]" 1
207 1 55 GLU H 1 56 ILE H 1.800 . 3.000 2.708 2.520 2.858 . 0 0 "[ . 1 . ]" 1
208 1 56 ILE H 1 57 LEU H 1.800 . 3.000 2.760 2.537 2.979 . 0 0 "[ . 1 . ]" 1
209 1 57 LEU H 1 58 GLY H 1.800 . 3.000 2.774 2.471 2.992 . 0 0 "[ . 1 . ]" 1
210 1 58 GLY H 1 59 ALA H 1.800 . 3.000 2.742 2.543 2.973 . 0 0 "[ . 1 . ]" 1
211 1 59 ALA H 1 60 VAL H 1.800 . 3.000 2.817 2.622 2.932 . 0 0 "[ . 1 . ]" 1
212 1 60 VAL H 1 61 ASP H 1.800 . 3.000 2.738 2.523 2.965 . 0 0 "[ . 1 . ]" 1
213 1 61 ASP H 1 62 LEU H 1.800 . 3.000 2.792 2.624 3.002 0.002 5 0 "[ . 1 . ]" 1
214 1 62 LEU H 1 63 ALA H 1.800 . 3.000 2.633 2.529 2.790 . 0 0 "[ . 1 . ]" 1
215 1 63 ALA H 1 64 ARG H 1.800 . 3.000 2.625 2.451 2.906 . 0 0 "[ . 1 . ]" 1
216 1 64 ARG H 1 65 LYS H 1.800 . 3.000 2.595 2.465 2.672 . 0 0 "[ . 1 . ]" 1
217 1 65 LYS H 1 66 SER H 1.800 . 3.000 2.605 2.218 2.979 . 0 0 "[ . 1 . ]" 1
218 1 66 SER H 1 67 SER H 1.800 . 3.000 2.479 1.974 2.904 . 0 0 "[ . 1 . ]" 1
219 1 67 SER H 1 68 LYS H 1.800 . 3.000 2.516 1.871 3.060 0.060 6 0 "[ . 1 . ]" 1
220 1 76 TYR H 1 77 GLY H 1.800 . 4.000 2.682 2.293 3.374 . 0 0 "[ . 1 . ]" 1
221 1 77 GLY H 1 78 LEU H 1.800 . 4.000 2.645 1.876 3.858 . 0 0 "[ . 1 . ]" 1
222 1 78 LEU H 1 79 GLU H 1.800 . 4.000 2.604 1.875 3.656 . 0 0 "[ . 1 . ]" 1
223 1 79 GLU H 1 80 ASN H 1.800 . 4.000 3.721 2.035 4.104 0.104 8 0 "[ . 1 . ]" 1
224 1 84 GLU H 1 85 LEU H 1.800 . 3.000 2.509 1.913 2.916 . 0 0 "[ . 1 . ]" 1
225 1 85 LEU H 1 86 GLU H 1.800 . 3.000 2.386 1.950 2.635 . 0 0 "[ . 1 . ]" 1
226 1 86 GLU H 1 87 ALA H 1.800 . 3.000 2.524 2.299 2.752 . 0 0 "[ . 1 . ]" 1
227 1 87 ALA H 1 88 VAL H 1.800 . 3.000 2.486 2.159 2.709 . 0 0 "[ . 1 . ]" 1
228 1 88 VAL H 1 89 SER H 1.800 . 3.000 2.369 1.871 2.959 . 0 0 "[ . 1 . ]" 1
229 1 90 SER H 1 91 GLU H 1.800 . 3.000 2.399 1.901 2.896 . 0 0 "[ . 1 . ]" 1
230 1 95 TRP H 1 96 ASN H 1.800 . 4.000 3.054 2.421 3.728 . 0 0 "[ . 1 . ]" 1
231 1 98 HIS H 1 99 CYS H 1.800 . 4.000 2.593 2.455 2.873 . 0 0 "[ . 1 . ]" 1
232 1 99 CYS H 1 100 ILE H 1.800 . 4.000 2.683 2.456 2.980 . 0 0 "[ . 1 . ]" 1
233 1 101 ARG H 1 102 ASP H 1.800 . 3.000 2.669 2.477 2.954 . 0 0 "[ . 1 . ]" 1
234 1 102 ASP H 1 103 ALA H 1.800 . 3.000 2.697 2.516 2.951 . 0 0 "[ . 1 . ]" 1
235 1 104 LEU H 1 105 GLU H 1.800 . 3.000 2.650 2.458 2.920 . 0 0 "[ . 1 . ]" 1
236 1 105 GLU H 1 106 ASP H 1.800 . 3.000 2.681 2.491 3.005 0.005 3 0 "[ . 1 . ]" 1
237 1 106 ASP H 1 107 ALA H 1.800 . 3.000 2.635 2.460 2.793 . 0 0 "[ . 1 . ]" 1
238 1 107 ALA H 1 108 LEU H 1.800 . 3.000 2.680 2.471 2.991 . 0 0 "[ . 1 . ]" 1
239 1 108 LEU H 1 109 ASP H 1.800 . 3.000 2.700 2.285 3.015 0.015 1 0 "[ . 1 . ]" 1
240 1 4 GLU HA 1 30 GLU H 1.800 . 4.000 3.840 3.653 4.029 0.029 11 0 "[ . 1 . ]" 1
241 1 6 ARG HA 1 32 ARG H 1.800 . 4.000 3.064 2.598 3.840 . 0 0 "[ . 1 . ]" 1
242 1 7 LEU HA 1 41 ALA H 1.800 . 4.000 2.387 2.067 2.728 . 0 0 "[ . 1 . ]" 1
243 1 8 TYR HA 1 34 ALA H 1.800 . 4.000 3.227 2.691 3.847 . 0 0 "[ . 1 . ]" 1
244 1 9 ILE HA 1 43 ILE H 1.800 . 4.000 3.376 2.908 3.757 . 0 0 "[ . 1 . ]" 1
245 1 5 ILE H 1 31 TRP HA 1.800 . 4.000 2.291 1.904 2.684 . 0 0 "[ . 1 . ]" 1
246 1 43 ILE HA 1 71 ILE H 1.800 . 4.000 3.128 2.501 3.732 . 0 0 "[ . 1 . ]" 1
247 1 45 LEU HA 1 73 VAL H 1.800 . 4.000 2.999 2.476 3.495 . 0 0 "[ . 1 . ]" 1
248 1 63 ALA HA 1 68 LYS H 1.800 . 4.000 3.606 2.499 4.004 0.004 3 0 "[ . 1 . ]" 1
249 1 42 VAL H 1 70 ILE HA 1.800 . 4.000 3.434 2.969 3.831 . 0 0 "[ . 1 . ]" 1
250 1 71 ILE HA 1 91 GLU H 1.800 . 4.000 3.070 2.494 3.952 . 0 0 "[ . 1 . ]" 1
251 1 44 VAL H 1 72 THR HA 1.800 . 4.000 3.147 2.637 3.827 . 0 0 "[ . 1 . ]" 1
252 1 73 VAL HA 1 93 VAL H 1.800 . 4.000 3.006 2.282 3.780 . 0 0 "[ . 1 . ]" 1
253 1 47 GLY H 1 75 PRO HA 1.800 . 4.000 3.487 2.511 4.007 0.007 6 0 "[ . 1 . ]" 1
254 1 72 THR H 1 92 VAL HA 1.800 . 4.000 2.928 2.488 3.398 . 0 0 "[ . 1 . ]" 1
255 1 5 ILE H 1 32 ARG H 1.800 . 4.000 3.697 2.979 3.937 . 0 0 "[ . 1 . ]" 1
256 1 6 ARG H 1 40 ASP H 1.800 . 5.000 4.249 3.627 4.780 . 0 0 "[ . 1 . ]" 1
257 1 7 LEU H 1 34 ALA H 1.800 . 4.000 3.670 3.290 4.001 0.001 10 0 "[ . 1 . ]" 1
258 1 8 TYR H 1 43 ILE H 1.800 . 4.000 3.072 2.714 3.570 . 0 0 "[ . 1 . ]" 1
259 1 42 VAL H 1 71 ILE H 1.800 . 4.000 3.818 3.362 4.009 0.009 3 0 "[ . 1 . ]" 1
260 1 44 VAL H 1 71 ILE H 1.800 . 4.000 3.703 3.227 3.976 . 0 0 "[ . 1 . ]" 1
261 1 10 THR H 1 45 LEU H 1.800 . 4.000 3.668 3.180 3.951 . 0 0 "[ . 1 . ]" 1
262 1 70 ILE H 1 90 SER H 1.800 . 4.000 3.400 2.965 4.014 0.014 2 0 "[ . 1 . ]" 1
263 1 72 THR H 1 91 GLU H 1.800 . 4.000 3.704 3.324 3.991 . 0 0 "[ . 1 . ]" 1
264 1 8 TYR H 1 39 ALA MB 1.800 . 6.000 3.389 2.766 4.120 . 0 0 "[ . 1 . ]" 1
265 1 10 THR H 1 43 ILE HB 1.800 . 5.000 4.534 3.772 5.012 0.012 1 0 "[ . 1 . ]" 1
266 1 12 GLY H 1 17 TYR QB 1.800 . 7.400 4.090 3.168 5.398 . 0 0 "[ . 1 . ]" 1
267 1 13 GLU H 1 48 LEU QD 1.800 . 7.400 3.283 2.232 4.720 . 0 0 "[ . 1 . ]" 1
268 1 14 VAL H 1 48 LEU QD 1.800 . 7.400 3.682 2.887 4.668 . 0 0 "[ . 1 . ]" 1
269 1 14 VAL QG 1 17 TYR H 1.800 . 6.400 2.442 1.755 3.695 0.045 16 0 "[ . 1 . ]" 1
270 1 17 TYR H 1 48 LEU QD 1.800 . 7.400 3.918 2.651 4.857 . 0 0 "[ . 1 . ]" 1
271 1 35 THR H 1 38 ASP QB 1.800 . 5.000 3.878 3.001 4.467 . 0 0 "[ . 1 . ]" 1
272 1 6 ARG QB 1 40 ASP H 1.800 . 6.000 2.253 1.849 2.851 . 0 0 "[ . 1 . ]" 1
273 1 34 ALA MB 1 40 ASP H 1.800 . 6.000 3.398 2.604 4.298 . 0 0 "[ . 1 . ]" 1
274 1 42 VAL H 1 71 ILE MD 1.800 . 6.000 3.715 2.534 4.829 . 0 0 "[ . 1 . ]" 1
275 1 10 THR HG1 1 45 LEU H 1.800 . 4.000 2.587 1.880 3.508 . 0 0 "[ . 1 . ]" 1
276 1 10 THR MG 1 56 ILE H 1.800 . 6.000 4.281 3.630 4.917 . 0 0 "[ . 1 . ]" 1
277 1 46 ALA H 1 73 VAL HB 1.800 . 5.000 3.336 2.922 3.885 . 0 0 "[ . 1 . ]" 1
278 1 70 ILE H 1 90 SER QB 1.800 . 5.000 2.549 2.010 3.628 . 0 0 "[ . 1 . ]" 1
279 1 70 ILE HB 1 90 SER H 1.800 . 4.000 2.884 2.139 3.744 . 0 0 "[ . 1 . ]" 1
280 1 6 ARG HA 1 34 ALA MB 1.800 . 6.000 3.329 2.602 4.016 . 0 0 "[ . 1 . ]" 1
281 1 7 LEU HA 1 39 ALA MB 1.800 . 6.000 3.269 2.516 4.052 . 0 0 "[ . 1 . ]" 1
282 1 8 TYR HA 1 39 ALA MB 1.800 . 6.000 4.087 3.437 4.692 . 0 0 "[ . 1 . ]" 1
283 1 10 THR HA 1 48 LEU QD 1.800 . 7.400 4.863 4.350 5.283 . 0 0 "[ . 1 . ]" 1
284 1 12 GLY HA3 1 48 LEU QD 1.800 . 7.400 2.231 1.750 3.716 0.050 3 0 "[ . 1 . ]" 1
285 1 12 GLY HA2 1 48 LEU QD 1.800 . 7.400 2.895 1.825 4.867 . 0 0 "[ . 1 . ]" 1
286 1 9 ILE MG 1 17 TYR HA 1.800 . 6.000 4.746 4.345 5.000 . 0 0 "[ . 1 . ]" 1
287 1 5 ILE MG 1 31 TRP HA 1.800 . 6.000 3.926 1.907 5.046 . 0 0 "[ . 1 . ]" 1
288 1 34 ALA MB 1 39 ALA HA 1.800 . 5.000 2.251 1.844 2.871 . 0 0 "[ . 1 . ]" 1
289 1 10 THR MG 1 44 VAL HA 1.800 . 6.000 3.802 2.327 4.744 . 0 0 "[ . 1 . ]" 1
290 1 10 THR HB 1 44 VAL HA 1.800 . 5.000 4.603 3.540 4.952 . 0 0 "[ . 1 . ]" 1
291 1 45 LEU HA 1 73 VAL MG1 1.800 . 6.000 3.861 3.059 4.324 . 0 0 "[ . 1 . ]" 1
292 1 45 LEU HA 1 73 VAL MG2 1.800 . 6.000 3.491 2.786 3.975 . 0 0 "[ . 1 . ]" 1
293 1 46 ALA HA 1 85 LEU QD 1.800 . 6.400 3.912 3.144 4.622 . 0 0 "[ . 1 . ]" 1
294 1 49 TRP HA 1 56 ILE MD 1.800 . 5.000 2.902 1.791 4.084 0.009 2 0 "[ . 1 . ]" 1
295 1 10 THR MG 1 56 ILE HA 1.800 . 6.000 3.320 2.727 4.506 . 0 0 "[ . 1 . ]" 1
296 1 60 VAL HA 1 70 ILE MG 1.800 . 6.000 3.478 2.551 4.274 . 0 0 "[ . 1 . ]" 1
297 1 63 ALA HA 1 68 LYS QB 1.800 . 6.000 3.247 1.934 5.415 . 0 0 "[ . 1 . ]" 1
298 1 44 VAL HB 1 72 THR HA 1.800 . 5.000 2.985 2.494 3.239 . 0 0 "[ . 1 . ]" 1
299 1 73 VAL HA 1 93 VAL QG 1.800 . 7.400 2.803 1.953 3.786 . 0 0 "[ . 1 . ]" 1
300 1 46 ALA MB 1 74 ARG HA 1.800 . 6.000 2.904 2.509 3.265 . 0 0 "[ . 1 . ]" 1
301 1 74 ARG HA 1 81 VAL QG 1.800 . 6.400 3.055 2.431 4.102 . 0 0 "[ . 1 . ]" 1
302 1 46 ALA MB 1 81 VAL HA 1.800 . 6.000 3.906 3.346 4.694 . 0 0 "[ . 1 . ]" 1
303 1 70 ILE HB 1 89 SER HA 1.800 . 5.000 2.914 2.486 3.407 . 0 0 "[ . 1 . ]" 1
304 1 70 ILE MD 1 89 SER HA 1.800 . 5.000 3.504 2.805 3.875 . 0 0 "[ . 1 . ]" 1
305 1 70 ILE MG 1 89 SER HA 1.800 . 5.000 3.397 2.386 4.028 . 0 0 "[ . 1 . ]" 1
306 1 95 TRP HA 1 100 ILE MD 1.800 . 6.000 4.066 3.166 4.553 . 0 0 "[ . 1 . ]" 1
307 1 93 VAL QG 1 100 ILE HA 1.800 . 7.400 2.486 1.871 3.506 . 0 0 "[ . 1 . ]" 1
308 1 71 ILE MD 1 104 LEU HA 1.800 . 5.000 3.512 2.739 4.000 . 0 0 "[ . 1 . ]" 1
309 1 71 ILE MD 1 107 ALA MB 1.800 . 6.000 3.406 2.820 3.951 . 0 0 "[ . 1 . ]" 1
310 1 71 ILE MD 1 103 ALA MB 1.800 . 6.000 2.681 1.913 3.799 . 0 0 "[ . 1 . ]" 1
311 1 71 ILE MG 1 103 ALA MB 1.800 . 6.000 2.457 1.914 2.834 . 0 0 "[ . 1 . ]" 1
312 1 71 ILE MD 1 90 SER QB 1.800 . 7.000 4.685 2.986 5.055 . 0 0 "[ . 1 . ]" 1
313 1 46 ALA MB 1 72 THR MG 1.800 . 7.000 3.409 1.791 4.594 0.009 8 0 "[ . 1 . ]" 1
314 1 63 ALA MB 1 70 ILE MD 1.800 . 4.000 1.883 1.656 2.333 0.144 2 0 "[ . 1 . ]" 1
315 1 63 ALA MB 1 70 ILE QG 1.800 . 6.000 2.060 1.749 2.504 0.051 6 0 "[ . 1 . ]" 1
316 1 9 ILE MD 1 21 LEU MD1 1.800 . 7.000 3.003 1.734 4.251 0.066 4 0 "[ . 1 . ]" 1
317 1 9 ILE MD 1 21 LEU MD2 1.800 . 7.000 3.642 1.798 4.862 0.002 16 0 "[ . 1 . ]" 1
318 1 9 ILE MD 1 43 ILE MD 1.800 . 7.000 2.923 2.097 3.268 . 0 0 "[ . 1 . ]" 1
319 1 9 ILE MD 1 43 ILE MG 1.800 . 7.000 3.825 2.866 4.643 . 0 0 "[ . 1 . ]" 1
320 1 9 ILE MG 1 43 ILE MG 1.800 . 7.000 2.654 1.935 3.594 . 0 0 "[ . 1 . ]" 1
321 1 9 ILE MG 1 45 LEU QD 1.800 . 8.400 2.240 1.767 2.784 0.033 6 0 "[ . 1 . ]" 1
322 1 9 ILE MG 1 45 LEU HG 1.800 . 6.000 3.477 2.481 4.123 . 0 0 "[ . 1 . ]" 1
323 1 17 TYR QB 1 45 LEU HG 1.800 . 6.000 4.048 2.009 5.043 . 0 0 "[ . 1 . ]" 1
324 1 45 LEU QD 1 73 VAL MG1 1.800 . 8.400 2.310 1.744 2.915 0.056 14 0 "[ . 1 . ]" 1
325 1 45 LEU QD 1 73 VAL MG2 1.800 . 8.400 2.284 1.848 2.651 . 0 0 "[ . 1 . ]" 1
326 1 45 LEU QD 1 73 VAL HB 1.800 . 7.400 1.927 1.767 2.170 0.033 14 0 "[ . 1 . ]" 1
327 1 7 LEU MD1 1 43 ILE MD 1.800 . 7.000 2.801 1.824 4.003 . 0 0 "[ . 1 . ]" 1
328 1 7 LEU MD2 1 43 ILE MD 1.800 . 7.000 2.437 1.695 3.792 0.105 4 0 "[ . 1 . ]" 1
329 1 7 LEU QD 1 24 LEU MD1 1.800 . 7.400 3.856 3.157 4.379 . 0 0 "[ . 1 . ]" 1
330 1 9 ILE MD 1 24 LEU MD1 1.800 . 6.000 3.191 1.737 3.867 0.063 2 0 "[ . 1 . ]" 1
331 1 24 LEU MD1 1 43 ILE MD 1.800 . 6.000 3.283 2.620 3.903 . 0 0 "[ . 1 . ]" 1
332 1 24 LEU MD1 1 100 ILE MG 1.800 . 6.000 2.981 1.646 3.900 0.154 8 0 "[ . 1 . ]" 1
333 1 7 LEU QD 1 24 LEU MD2 1.800 . 7.400 2.876 1.942 3.780 . 0 0 "[ . 1 . ]" 1
334 1 9 ILE MD 1 24 LEU MD2 1.800 . 6.000 3.177 2.462 3.799 . 0 0 "[ . 1 . ]" 1
335 1 24 LEU MD2 1 43 ILE MD 1.800 . 6.000 3.391 2.602 4.045 . 0 0 "[ . 1 . ]" 1
336 1 24 LEU MD2 1 100 ILE MG 1.800 . 6.000 3.630 2.971 4.053 . 0 0 "[ . 1 . ]" 1
337 1 5 ILE MG 1 31 TRP QB 1.800 . 7.000 3.608 1.869 5.067 . 0 0 "[ . 1 . ]" 1
338 1 5 ILE MG 1 7 LEU MD1 1.800 . 7.000 3.255 1.914 4.734 . 0 0 "[ . 1 . ]" 1
339 1 5 ILE MG 1 7 LEU MD2 1.800 . 7.000 2.952 1.874 4.254 . 0 0 "[ . 1 . ]" 1
340 1 5 ILE MG 1 7 LEU HG 1.800 . 6.000 3.681 1.952 4.740 . 0 0 "[ . 1 . ]" 1
341 1 7 LEU QD 1 31 TRP QB 1.800 . 7.000 2.021 1.758 2.329 0.042 5 0 "[ . 1 . ]" 1
342 1 10 THR HB 1 56 ILE MD 1.800 . 6.000 4.249 2.540 4.860 . 0 0 "[ . 1 . ]" 1
343 1 10 THR MG 1 56 ILE MD 1.800 . 7.000 3.025 1.897 3.975 . 0 0 "[ . 1 . ]" 1
344 1 10 THR MG 1 56 ILE MG 1.800 . 7.000 3.890 2.838 4.562 . 0 0 "[ . 1 . ]" 1
345 1 6 ARG QB 1 34 ALA MB 1.800 . 6.000 2.146 1.793 2.758 0.007 1 0 "[ . 1 . ]" 1
346 1 6 ARG QG 1 34 ALA MB 1.800 . 6.000 2.819 1.847 4.004 . 0 0 "[ . 1 . ]" 1
347 1 6 ARG QD 1 34 ALA MB 1.800 . 6.000 3.448 1.938 4.465 . 0 0 "[ . 1 . ]" 1
348 1 34 ALA MB 1 39 ALA MB 1.800 . 7.000 2.605 1.893 3.274 . 0 0 "[ . 1 . ]" 1
349 1 34 ALA MB 1 38 ASP QB 1.800 . 6.000 3.681 2.716 4.205 . 0 0 "[ . 1 . ]" 1
350 1 73 VAL MG1 1 100 ILE MD 1.800 . 7.000 3.994 3.385 4.764 . 0 0 "[ . 1 . ]" 1
351 1 73 VAL MG2 1 100 ILE MD 1.800 . 7.000 4.057 3.364 4.705 . 0 0 "[ . 1 . ]" 1
352 1 43 ILE MD 1 73 VAL MG2 1.800 . 7.000 4.133 3.517 4.734 . 0 0 "[ . 1 . ]" 1
353 1 43 ILE MG 1 73 VAL MG2 1.800 . 7.000 2.049 1.664 2.563 0.136 4 0 "[ . 1 . ]" 1
354 1 44 VAL MG1 1 56 ILE MG 1.800 . 6.000 1.908 1.676 2.173 0.124 16 0 "[ . 1 . ]" 1
355 1 44 VAL MG1 1 56 ILE MD 1.800 . 7.000 3.041 1.905 3.954 . 0 0 "[ . 1 . ]" 1
356 1 44 VAL MG2 1 56 ILE MG 1.800 . 6.000 3.398 2.966 3.812 . 0 0 "[ . 1 . ]" 1
357 1 42 VAL MG1 1 44 VAL MG2 1.800 . 7.000 2.254 1.866 2.588 . 0 0 "[ . 1 . ]" 1
358 1 44 VAL MG2 1 60 VAL MG2 1.800 . 7.000 2.931 2.067 4.041 . 0 0 "[ . 1 . ]" 1
359 1 69 PRO QB 1 71 ILE MD 1.800 . 7.000 3.001 2.217 4.412 . 0 0 "[ . 1 . ]" 1
360 1 71 ILE MD 1 91 GLU HB3 1.800 . 6.000 3.994 2.208 4.834 . 0 0 "[ . 1 . ]" 1
361 1 71 ILE MD 1 91 GLU HB2 1.800 . 6.000 3.704 2.109 4.917 . 0 0 "[ . 1 . ]" 1
362 1 91 GLU HB3 1 103 ALA MB 1.800 . 6.000 3.384 2.191 4.249 . 0 0 "[ . 1 . ]" 1
363 1 91 GLU HB2 1 103 ALA MB 1.800 . 6.000 4.210 3.154 4.873 . 0 0 "[ . 1 . ]" 1
364 1 56 ILE MD 1 85 LEU QD 1.800 . 8.400 4.360 3.521 4.902 . 0 0 "[ . 1 . ]" 1
365 1 56 ILE MG 1 85 LEU MD1 1.800 . 6.000 2.821 2.021 3.757 . 0 0 "[ . 1 . ]" 1
366 1 56 ILE MG 1 85 LEU MD2 1.800 . 6.000 3.664 2.965 4.109 . 0 0 "[ . 1 . ]" 1
367 1 46 ALA MB 1 85 LEU MD1 1.800 . 7.000 4.240 3.060 4.679 . 0 0 "[ . 1 . ]" 1
368 1 46 ALA MB 1 85 LEU MD2 1.800 . 7.000 3.648 2.433 4.652 . 0 0 "[ . 1 . ]" 1
369 1 85 LEU MD1 1 88 VAL QG 1.800 . 8.400 3.618 2.138 4.778 . 0 0 "[ . 1 . ]" 1
370 1 85 LEU MD2 1 88 VAL QG 1.800 . 8.400 3.615 2.795 4.438 . 0 0 "[ . 1 . ]" 1
371 1 15 GLU QG 1 19 VAL MG2 1.800 . 7.000 2.748 1.922 4.267 . 0 0 "[ . 1 . ]" 1
372 1 18 ARG QG 1 19 VAL MG2 1.800 . 7.000 4.380 3.514 5.121 . 0 0 "[ . 1 . ]" 1
373 1 60 VAL QG 1 63 ALA MB 1.800 . 8.400 3.161 2.887 3.634 . 0 0 "[ . 1 . ]" 1
374 1 60 VAL QG 1 70 ILE MD 1.800 . 8.400 2.511 1.894 3.444 . 0 0 "[ . 1 . ]" 1
375 1 60 VAL QG 1 70 ILE MG 1.800 . 8.400 2.736 2.066 3.195 . 0 0 "[ . 1 . ]" 1
376 1 46 ALA MB 1 81 VAL QG 1.800 . 8.400 2.214 1.680 3.397 0.120 9 0 "[ . 1 . ]" 1
377 1 46 ALA MB 1 82 PRO HD3 1.800 . 6.000 4.719 4.166 4.848 . 0 0 "[ . 1 . ]" 1
378 1 46 ALA MB 1 82 PRO HD2 1.800 . 6.000 4.295 3.757 4.786 . 0 0 "[ . 1 . ]" 1
379 1 46 ALA MB 1 75 PRO QD 1.800 . 7.000 2.459 2.145 2.934 . 0 0 "[ . 1 . ]" 1
380 1 75 PRO QD 1 81 VAL QG 1.800 . 8.400 2.391 1.795 3.333 0.005 16 0 "[ . 1 . ]" 1
381 1 75 PRO HG3 1 81 VAL QG 1.800 . 7.400 3.033 2.053 3.892 . 0 0 "[ . 1 . ]" 1
382 1 75 PRO HG2 1 81 VAL QG 1.800 . 7.400 3.960 2.843 5.003 . 0 0 "[ . 1 . ]" 1
383 1 93 VAL QG 1 100 ILE MD 1.800 . 8.400 2.997 1.775 4.055 0.025 4 0 "[ . 1 . ]" 1
384 1 73 VAL MG1 1 93 VAL QG 1.800 . 7.400 2.959 2.035 3.457 . 0 0 "[ . 1 . ]" 1
385 1 73 VAL MG2 1 93 VAL QG 1.800 . 7.400 2.450 2.041 3.167 . 0 0 "[ . 1 . ]" 1
386 1 71 ILE MG 1 93 VAL QG 1.800 . 7.400 1.958 1.601 2.526 0.199 11 0 "[ . 1 . ]" 1
387 1 93 VAL MG1 1 103 ALA MB 1.800 . 6.000 2.639 1.716 3.787 0.084 5 0 "[ . 1 . ]" 1
388 1 93 VAL MG2 1 103 ALA MB 1.800 . 6.000 2.745 1.715 3.931 0.085 7 0 "[ . 1 . ]" 1
389 1 56 ILE MG 1 60 VAL QG 1.800 . 8.400 2.484 1.943 3.244 . 0 0 "[ . 1 . ]" 1
390 1 42 VAL HB 1 63 ALA MB 1.800 . 6.000 3.865 2.433 4.404 . 0 0 "[ . 1 . ]" 1
391 1 42 VAL QG 1 63 ALA MB 1.800 . 8.400 2.800 2.004 3.470 . 0 0 "[ . 1 . ]" 1
392 1 60 VAL QG 1 85 LEU QD 1.800 . 9.800 2.640 2.100 3.178 . 0 0 "[ . 1 . ]" 1
393 1 71 ILE MG 1 73 VAL MG2 1.800 . 6.000 2.860 2.473 3.384 . 0 0 "[ . 1 . ]" 1
394 1 62 LEU HG 1 65 LYS QD 1.800 . 8.400 5.135 3.513 7.442 . 0 0 "[ . 1 . ]" 1
395 1 62 LEU QD 1 65 LYS QD 1.800 . 8.400 3.720 1.800 5.205 . 16 0 "[ . 1 . ]" 1
396 1 37 GLU QB 1 62 LEU MD1 1.800 . 7.000 3.963 2.634 5.100 . 0 0 "[ . 1 . ]" 1
397 1 37 GLU QB 1 62 LEU MD2 1.800 . 7.000 3.846 1.948 4.643 . 0 0 "[ . 1 . ]" 1
398 1 72 THR MG 1 85 LEU QD 1.800 . 8.400 2.304 1.646 3.446 0.154 2 0 "[ . 1 . ]" 1
399 1 70 ILE MD 1 88 VAL HB 1.800 . 5.000 3.548 2.494 4.011 . 0 0 "[ . 1 . ]" 1
400 1 64 ARG QB 1 70 ILE MD 1.800 . 7.000 4.453 3.287 5.159 . 0 0 "[ . 1 . ]" 1
401 1 64 ARG QG 1 70 ILE MD 1.800 . 6.000 3.471 2.499 4.075 . 0 0 "[ . 1 . ]" 1
402 1 64 ARG QD 1 70 ILE MD 1.800 . 7.000 4.586 3.226 5.217 . 0 0 "[ . 1 . ]" 1
403 1 41 ALA MB 1 71 ILE MD 1.800 . 7.000 2.869 2.169 3.676 . 0 0 "[ . 1 . ]" 1
404 1 48 LEU QD 1 52 ARG HD3 1.800 . 7.400 3.823 2.430 4.986 . 0 0 "[ . 1 . ]" 1
405 1 48 LEU QD 1 52 ARG HD2 1.800 . 7.400 3.741 2.301 5.170 . 0 0 "[ . 1 . ]" 1
406 1 41 ALA MB 1 104 LEU QD 1.800 . 8.400 2.832 1.882 4.217 . 0 0 "[ . 1 . ]" 1
407 1 22 GLU QB 1 26 GLN QE 1.800 . 7.000 4.455 3.531 5.285 . 0 0 "[ . 1 . ]" 1
408 1 5 ILE MD 1 104 LEU MD1 1.800 . 6.000 2.742 1.764 3.851 0.036 10 0 "[ . 1 . ]" 1
409 1 5 ILE MG 1 104 LEU MD1 1.800 . 7.000 3.472 2.547 4.578 . 0 0 "[ . 1 . ]" 1
410 1 5 ILE MD 1 104 LEU MD2 1.800 . 6.000 2.364 1.826 3.310 . 0 0 "[ . 1 . ]" 1
411 1 5 ILE MG 1 104 LEU MD2 1.800 . 7.000 2.645 1.815 4.245 . 0 0 "[ . 1 . ]" 1
412 1 5 ILE MD 1 104 LEU HB3 1.800 . 6.000 3.661 2.398 4.613 . 0 0 "[ . 1 . ]" 1
413 1 5 ILE MD 1 104 LEU HB2 1.800 . 6.000 4.346 2.447 4.934 . 0 0 "[ . 1 . ]" 1
414 1 7 LEU MD1 1 104 LEU MD1 1.800 . 7.000 3.323 1.923 4.632 . 0 0 "[ . 1 . ]" 1
415 1 7 LEU MD2 1 104 LEU MD1 1.800 . 7.000 2.829 1.825 4.169 . 0 0 "[ . 1 . ]" 1
416 1 7 LEU MD1 1 104 LEU MD2 1.800 . 7.000 3.527 2.193 4.540 . 0 0 "[ . 1 . ]" 1
417 1 7 LEU MD2 1 104 LEU MD2 1.800 . 7.000 2.527 1.703 4.315 0.097 10 0 "[ . 1 . ]" 1
418 1 7 LEU QD 1 41 ALA MB 1.800 . 8.400 2.504 1.785 3.265 0.015 10 0 "[ . 1 . ]" 1
419 1 104 LEU QD 1 107 ALA MB 1.800 . 8.400 3.434 2.179 4.521 . 0 0 "[ . 1 . ]" 1
420 1 24 LEU HG 1 100 ILE MG 1.800 . 6.000 3.367 2.681 3.896 . 0 0 "[ . 1 . ]" 1
421 1 14 VAL HB 1 48 LEU QD 1.800 . 7.400 4.288 2.776 5.021 . 0 0 "[ . 1 . ]" 1
422 1 14 VAL MG1 1 48 LEU QD 1.800 . 8.400 3.342 2.145 4.667 . 0 0 "[ . 1 . ]" 1
423 1 14 VAL MG2 1 48 LEU QD 1.800 . 8.400 2.478 1.789 4.040 0.011 3 0 "[ . 1 . ]" 1
424 1 14 VAL QG 1 48 LEU HG 1.800 . 7.400 3.374 2.296 5.152 . 0 0 "[ . 1 . ]" 1
425 1 44 VAL MG2 1 60 VAL QG 1.800 . 8.400 2.894 2.057 3.962 . 0 0 "[ . 1 . ]" 1
426 1 50 GLY H 1 51 THR MG 1.800 . 5.000 3.524 2.621 3.979 . 0 0 "[ . 1 . ]" 1
427 1 12 GLY H 1 48 LEU QD 1.800 . 8.400 3.743 2.771 5.411 . 0 0 "[ . 1 . ]" 1
428 1 69 PRO HB3 1 107 ALA MB 1.800 . 6.000 3.559 2.655 4.638 . 0 0 "[ . 1 . ]" 1
429 1 69 PRO HB2 1 107 ALA MB 1.800 . 6.000 3.396 2.367 4.680 . 0 0 "[ . 1 . ]" 1
430 1 42 VAL MG1 1 59 ALA MB 1.800 . 7.000 3.102 2.281 3.795 . 0 0 "[ . 1 . ]" 1
431 1 10 THR HB 1 48 LEU QD 1.800 . 7.400 2.882 2.276 3.701 . 0 0 "[ . 1 . ]" 1
432 1 45 LEU HB3 1 48 LEU QD 1.800 . 7.400 2.596 1.786 3.827 0.014 2 0 "[ . 1 . ]" 1
433 1 45 LEU HB2 1 48 LEU QD 1.800 . 7.400 2.425 1.830 3.172 . 0 0 "[ . 1 . ]" 1
434 1 45 LEU QD 1 48 LEU QD 1.800 . 9.800 3.137 2.335 3.637 . 0 0 "[ . 1 . ]" 1
435 1 48 LEU QD 1 56 ILE MD 1.800 . 7.400 3.168 1.807 3.961 . 0 0 "[ . 1 . ]" 1
436 1 31 TRP H 1 31 TRP HD1 1.800 . 4.000 2.645 1.869 3.701 . 0 0 "[ . 1 . ]" 1
437 1 24 LEU QD 1 31 TRP HE1 1.800 . 7.400 3.209 1.725 4.972 0.075 16 0 "[ . 1 . ]" 1
438 1 9 ILE MD 1 31 TRP HH2 1.800 . 6.000 3.887 2.319 4.899 . 0 0 "[ . 1 . ]" 1
439 1 21 LEU QD 1 31 TRP HH2 1.800 . 7.400 2.705 1.974 3.646 . 0 0 "[ . 1 . ]" 1
440 1 21 LEU QD 1 31 TRP HZ2 1.800 . 7.400 3.003 1.850 4.389 . 0 0 "[ . 1 . ]" 1
441 1 7 LEU H 1 31 TRP HE3 1.800 . 5.000 4.019 2.665 4.864 . 0 0 "[ . 1 . ]" 1
442 1 31 TRP HE3 1 32 ARG H 1.800 . 4.000 3.096 2.413 3.866 . 0 0 "[ . 1 . ]" 1
443 1 49 TRP HE1 1 53 ARG QD 1.800 . 6.000 4.185 2.964 5.164 . 0 0 "[ . 1 . ]" 1
444 1 49 TRP H 1 49 TRP HD1 1.800 . 5.000 4.530 1.880 5.048 0.048 7 0 "[ . 1 . ]" 1
445 1 49 TRP HA 1 49 TRP HE3 1.800 . 5.000 4.006 3.254 4.859 . 0 0 "[ . 1 . ]" 1
446 1 49 TRP HE3 1 56 ILE MD 1.800 . 6.000 4.255 3.110 4.809 . 0 0 "[ . 1 . ]" 1
447 1 49 TRP HE3 1 56 ILE MG 1.800 . 6.000 3.794 2.108 4.855 . 0 0 "[ . 1 . ]" 1
448 1 49 TRP HE3 1 85 LEU QD 1.800 . 7.400 3.023 2.032 4.492 . 0 0 "[ . 1 . ]" 1
449 1 49 TRP HZ3 1 56 ILE MG 1.800 . 6.000 4.135 2.348 4.914 . 0 0 "[ . 1 . ]" 1
450 1 49 TRP HZ3 1 85 LEU QD 1.800 . 7.400 2.157 1.741 2.971 0.059 6 0 "[ . 1 . ]" 1
451 1 49 TRP HH2 1 81 VAL QG 1.800 . 7.400 4.361 1.959 5.241 . 0 0 "[ . 1 . ]" 1
452 1 94 GLY QA 1 95 TRP HD1 1.800 . 6.000 3.906 2.989 4.485 . 0 0 "[ . 1 . ]" 1
453 1 76 TYR HA 1 95 TRP HE1 1.800 . 4.000 2.651 2.022 3.642 . 0 0 "[ . 1 . ]" 1
454 1 73 VAL MG1 1 95 TRP HE1 1.800 . 6.000 4.161 3.248 4.999 . 0 0 "[ . 1 . ]" 1
455 1 73 VAL MG1 1 95 TRP HZ2 1.800 . 6.000 4.362 3.622 4.917 . 0 0 "[ . 1 . ]" 1
456 1 20 PHE HA 1 95 TRP HZ3 1.800 . 5.000 2.997 1.983 3.676 . 0 0 "[ . 1 . ]" 1
457 1 16 ASP HA 1 95 TRP HH2 1.800 . 5.000 3.330 2.292 4.469 . 0 0 "[ . 1 . ]" 1
458 1 20 PHE H 1 95 TRP HZ3 1.800 . 5.000 3.776 2.603 4.661 . 0 0 "[ . 1 . ]" 1
459 1 20 PHE H 1 95 TRP HH2 1.800 . 5.000 3.288 2.461 4.192 . 0 0 "[ . 1 . ]" 1
460 1 19 VAL MG1 1 95 TRP HZ3 1.800 . 6.000 2.545 1.985 3.912 . 0 0 "[ . 1 . ]" 1
461 1 8 TYR QD 1 59 ALA MB 1.800 . 8.000 4.076 3.367 4.651 . 0 0 "[ . 1 . ]" 1
462 1 8 TYR QD 1 42 VAL QG 1.800 . 9.400 2.703 1.883 3.596 . 0 0 "[ . 1 . ]" 1
463 1 8 TYR QD 1 35 THR HA 1.800 . 7.000 4.175 2.517 5.115 . 0 0 "[ . 1 . ]" 1
464 1 8 TYR QD 1 34 ALA H 1.800 . 7.000 3.452 2.778 4.326 . 0 0 "[ . 1 . ]" 1
465 1 8 TYR QE 1 59 ALA MB 1.800 . 8.000 3.591 1.915 4.966 . 0 0 "[ . 1 . ]" 1
466 1 8 TYR QE 1 9 ILE H 1.800 . 7.000 4.468 3.817 5.296 . 0 0 "[ . 1 . ]" 1
467 1 8 TYR QE 1 10 THR MG 1.800 . 8.000 4.072 2.731 5.079 . 0 0 "[ . 1 . ]" 1
468 1 8 TYR QE 1 42 VAL QG 1.800 . 9.400 4.216 3.244 5.200 . 0 0 "[ . 1 . ]" 1
469 1 8 TYR QE 1 10 THR HA 1.800 . 7.000 3.722 2.237 4.779 . 0 0 "[ . 1 . ]" 1
470 1 8 TYR QE 1 34 ALA H 1.800 . 7.000 5.460 4.751 6.112 . 0 0 "[ . 1 . ]" 1
471 1 9 ILE MG 1 17 TYR QD 1.800 . 8.000 3.192 2.632 3.623 . 0 0 "[ . 1 . ]" 1
472 1 17 TYR QD 1 45 LEU HG 1.800 . 7.000 3.357 2.736 4.632 . 0 0 "[ . 1 . ]" 1
473 1 17 TYR QE 1 45 LEU HG 1.800 . 6.000 4.672 3.877 5.188 . 0 0 "[ . 1 . ]" 1
474 1 11 GLU HA 1 17 TYR QD 1.800 . 6.000 4.090 2.365 4.826 . 0 0 "[ . 1 . ]" 1
475 1 9 ILE MG 1 17 TYR QE 1.800 . 8.000 1.979 1.784 2.452 0.016 11 0 "[ . 1 . ]" 1
476 1 9 ILE MD 1 17 TYR QE 1.800 . 8.000 2.988 1.951 3.910 . 0 0 "[ . 1 . ]" 1
477 1 11 GLU HA 1 17 TYR QE 1.800 . 6.000 3.208 2.208 4.088 . 0 0 "[ . 1 . ]" 1
478 1 12 GLY H 1 17 TYR QD 1.800 . 7.000 3.131 1.876 4.338 . 0 0 "[ . 1 . ]" 1
479 1 12 GLY H 1 17 TYR QE 1.800 . 7.000 3.456 2.378 4.294 . 0 0 "[ . 1 . ]" 1
480 1 17 TYR QE 1 21 LEU MD1 1.800 . 8.000 3.262 2.127 4.539 . 0 0 "[ . 1 . ]" 1
481 1 17 TYR QE 1 21 LEU MD2 1.800 . 8.000 3.444 1.911 4.946 . 0 0 "[ . 1 . ]" 1
482 1 15 GLU QG 1 76 TYR QD 1.800 . 8.000 5.530 4.433 6.451 . 0 0 "[ . 1 . ]" 1
483 1 76 TYR QD 1 95 TRP HE1 1.800 . 7.000 3.971 2.365 5.282 . 0 0 "[ . 1 . ]" 1
484 1 19 VAL MG1 1 76 TYR QD 1.800 . 8.000 4.904 3.105 5.967 . 0 0 "[ . 1 . ]" 1
485 1 19 VAL MG1 1 76 TYR QE 1.800 . 8.000 4.323 2.297 5.802 . 0 0 "[ . 1 . ]" 1
486 1 19 VAL MG2 1 76 TYR QD 1.800 . 8.000 4.879 3.241 5.727 . 0 0 "[ . 1 . ]" 1
487 1 19 VAL MG2 1 76 TYR QE 1.800 . 8.000 4.463 2.634 5.857 . 0 0 "[ . 1 . ]" 1
488 1 76 TYR QD 1 77 GLY H 1.800 . 7.000 4.005 2.550 4.849 . 0 0 "[ . 1 . ]" 1
489 1 9 ILE MD 1 20 PHE QE 1.800 . 8.000 3.488 1.994 4.376 . 0 0 "[ . 1 . ]" 1
490 1 20 PHE QE 1 24 LEU QD 1.800 . 9.400 2.597 1.881 3.481 . 0 0 "[ . 1 . ]" 1
491 1 20 PHE QE 1 73 VAL QG 1.800 . 8.000 2.629 2.031 3.561 . 0 0 "[ . 1 . ]" 1
492 1 20 PHE QE 1 43 ILE MG 1.800 . 8.000 2.617 2.062 3.652 . 0 0 "[ . 1 . ]" 1
493 1 20 PHE QE 1 100 ILE MG 1.800 . 8.000 3.791 2.837 4.716 . 0 0 "[ . 1 . ]" 1
494 1 20 PHE QE 1 100 ILE MD 1.800 . 8.000 2.330 1.807 3.313 . 0 0 "[ . 1 . ]" 1
495 1 20 PHE HZ 1 100 ILE MG 1.800 . 6.000 3.467 2.601 4.423 . 0 0 "[ . 1 . ]" 1
496 1 11 GLU H 1 11 GLU QG 1.800 . 4.500 3.320 2.063 4.079 . 0 0 "[ . 1 . ]" 1
497 1 17 TYR H 1 17 TYR HB3 1.800 . 3.000 2.554 2.351 2.896 . 0 0 "[ . 1 . ]" 1
498 1 17 TYR H 1 17 TYR HB2 1.800 . 3.000 2.571 2.271 2.765 . 0 0 "[ . 1 . ]" 1
499 1 20 PHE H 1 20 PHE HB3 1.800 . 3.000 2.677 2.376 3.051 0.051 14 0 "[ . 1 . ]" 1
500 1 20 PHE H 1 20 PHE HB2 1.800 . 3.000 2.463 2.137 2.782 . 0 0 "[ . 1 . ]" 1
501 1 28 GLY H 1 28 GLY HA3 1.800 . 3.000 2.964 2.715 2.994 . 0 0 "[ . 1 . ]" 1
502 1 28 GLY H 1 28 GLY HA2 1.800 . 3.000 2.530 2.352 2.943 . 0 0 "[ . 1 . ]" 1
503 1 42 VAL H 1 42 VAL HB 1.800 . 3.000 2.621 2.422 2.838 . 0 0 "[ . 1 . ]" 1
504 1 44 VAL H 1 44 VAL HB 1.800 . 3.000 2.721 2.538 2.946 . 0 0 "[ . 1 . ]" 1
505 1 44 VAL H 1 44 VAL MG2 1.800 . 3.000 2.192 1.985 2.392 . 0 0 "[ . 1 . ]" 1
506 1 52 ARG H 1 52 ARG HB3 1.800 . 4.000 3.544 3.058 3.935 . 0 0 "[ . 1 . ]" 1
507 1 52 ARG H 1 52 ARG HB2 1.800 . 4.000 2.515 2.190 3.171 . 0 0 "[ . 1 . ]" 1
508 1 52 ARG H 1 52 ARG QG 1.800 . 5.000 3.508 2.312 4.211 . 0 0 "[ . 1 . ]" 1
509 1 52 ARG H 1 52 ARG QD 1.800 . 5.000 3.713 2.980 4.529 . 0 0 "[ . 1 . ]" 1
510 1 53 ARG H 1 53 ARG HB3 1.800 . 3.000 2.782 2.387 3.021 0.021 15 0 "[ . 1 . ]" 1
511 1 53 ARG H 1 53 ARG HB2 1.800 . 3.000 2.367 2.165 2.731 . 0 0 "[ . 1 . ]" 1
512 1 53 ARG H 1 53 ARG QG 1.800 . 5.000 3.914 3.758 3.988 . 0 0 "[ . 1 . ]" 1
513 1 53 ARG H 1 53 ARG QD 1.800 . 5.000 4.317 3.887 4.526 . 0 0 "[ . 1 . ]" 1
514 1 56 ILE H 1 56 ILE MD 1.800 . 4.000 2.776 1.982 3.248 . 0 0 "[ . 1 . ]" 1
515 1 60 VAL H 1 60 VAL HB 1.800 . 3.000 2.549 2.398 2.772 . 0 0 "[ . 1 . ]" 1
516 1 93 VAL HA 1 93 VAL HB 1.800 . 3.000 2.723 2.397 3.030 0.030 9 0 "[ . 1 . ]" 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 56
_Distance_constraint_stats_list.Viol_count 118
_Distance_constraint_stats_list.Viol_total 21.375
_Distance_constraint_stats_list.Viol_max 0.046
_Distance_constraint_stats_list.Viol_rms 0.0052
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0113
_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 5 ILE 0.034 0.014 12 0 "[ . 1 . ]"
1 6 ARG 0.100 0.029 11 0 "[ . 1 . ]"
1 7 LEU 0.054 0.019 4 0 "[ . 1 . ]"
1 8 TYR 0.043 0.014 3 0 "[ . 1 . ]"
1 15 GLU 0.034 0.013 14 0 "[ . 1 . ]"
1 16 ASP 0.001 0.001 13 0 "[ . 1 . ]"
1 17 TYR 0.060 0.017 12 0 "[ . 1 . ]"
1 18 ARG 0.029 0.010 15 0 "[ . 1 . ]"
1 19 VAL 0.058 0.017 13 0 "[ . 1 . ]"
1 20 PHE 0.036 0.011 3 0 "[ . 1 . ]"
1 21 LEU 0.060 0.017 12 0 "[ . 1 . ]"
1 22 GLU 0.029 0.010 15 0 "[ . 1 . ]"
1 23 ARG 0.023 0.017 13 0 "[ . 1 . ]"
1 24 LEU 0.036 0.011 3 0 "[ . 1 . ]"
1 32 ARG 0.054 0.015 3 0 "[ . 1 . ]"
1 34 ALA 0.034 0.019 4 0 "[ . 1 . ]"
1 41 ALA 0.108 0.029 11 0 "[ . 1 . ]"
1 42 VAL 0.170 0.038 12 0 "[ . 1 . ]"
1 43 ILE 0.036 0.014 3 0 "[ . 1 . ]"
1 44 VAL 0.059 0.018 1 0 "[ . 1 . ]"
1 46 ALA 0.191 0.046 7 0 "[ . 1 . ]"
1 52 ARG 0.044 0.022 16 0 "[ . 1 . ]"
1 53 ARG 0.038 0.012 5 0 "[ . 1 . ]"
1 56 ILE 0.050 0.022 16 0 "[ . 1 . ]"
1 57 LEU 0.047 0.012 5 0 "[ . 1 . ]"
1 58 GLY 0.052 0.022 15 0 "[ . 1 . ]"
1 59 ALA 0.054 0.027 6 0 "[ . 1 . ]"
1 60 VAL 0.070 0.021 11 0 "[ . 1 . ]"
1 61 ASP 0.009 0.007 7 0 "[ . 1 . ]"
1 62 LEU 0.052 0.022 15 0 "[ . 1 . ]"
1 63 ALA 0.054 0.027 6 0 "[ . 1 . ]"
1 64 ARG 0.064 0.021 11 0 "[ . 1 . ]"
1 69 PRO 0.146 0.038 12 0 "[ . 1 . ]"
1 71 ILE 0.027 0.015 8 0 "[ . 1 . ]"
1 72 THR 0.133 0.045 6 0 "[ . 1 . ]"
1 73 VAL 0.246 0.046 7 0 "[ . 1 . ]"
1 74 ARG 0.046 0.031 11 0 "[ . 1 . ]"
1 91 GLU 0.045 0.024 4 0 "[ . 1 . ]"
1 93 VAL 0.134 0.045 6 0 "[ . 1 . ]"
1 101 ARG 0.056 0.019 12 0 "[ . 1 . ]"
1 105 GLU 0.056 0.019 12 0 "[ . 1 . ]"
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 LEU H 1 32 ARG O 1.800 . 2.200 2.141 2.081 2.215 0.015 3 0 "[ . 1 . ]" 2
2 1 7 LEU N 1 32 ARG O 2.800 2.800 3.300 3.058 2.887 3.166 . 0 0 "[ . 1 . ]" 2
3 1 8 TYR H 1 41 ALA O 1.800 . 2.200 2.144 2.096 2.207 0.007 8 0 "[ . 1 . ]" 2
4 1 8 TYR N 1 41 ALA O 2.800 2.800 3.300 2.947 2.844 3.037 . 0 0 "[ . 1 . ]" 2
5 1 5 ILE O 1 32 ARG H 1.800 . 2.200 2.161 2.100 2.210 0.010 6 0 "[ . 1 . ]" 2
6 1 5 ILE O 1 32 ARG N 2.800 2.800 3.300 3.029 2.786 3.168 0.014 12 0 "[ . 1 . ]" 2
7 1 7 LEU O 1 34 ALA H 1.800 . 2.200 2.153 2.096 2.219 0.019 4 0 "[ . 1 . ]" 2
8 1 7 LEU O 1 34 ALA N 2.800 2.800 3.300 3.037 2.883 3.193 . 0 0 "[ . 1 . ]" 2
9 1 6 ARG O 1 41 ALA H 1.800 . 2.200 2.175 2.109 2.229 0.029 11 0 "[ . 1 . ]" 2
10 1 6 ARG O 1 41 ALA N 2.800 2.800 3.300 2.993 2.815 3.178 . 0 0 "[ . 1 . ]" 2
11 1 42 VAL H 1 69 PRO O 1.800 . 2.200 2.183 2.102 2.238 0.038 12 0 "[ . 1 . ]" 2
12 1 42 VAL N 1 69 PRO O 2.800 2.800 3.300 3.099 2.993 3.203 . 0 0 "[ . 1 . ]" 2
13 1 8 TYR O 1 43 ILE H 1.800 . 2.200 2.148 2.093 2.214 0.014 3 0 "[ . 1 . ]" 2
14 1 8 TYR O 1 43 ILE N 2.800 2.800 3.300 2.988 2.787 3.146 0.013 5 0 "[ . 1 . ]" 2
15 1 44 VAL H 1 71 ILE O 1.800 . 2.200 2.152 2.084 2.204 0.004 11 0 "[ . 1 . ]" 2
16 1 44 VAL N 1 71 ILE O 2.800 2.800 3.300 2.996 2.826 3.121 . 0 0 "[ . 1 . ]" 2
17 1 46 ALA H 1 73 VAL O 1.800 . 2.200 2.201 2.127 2.246 0.046 7 0 "[ . 1 . ]" 2
18 1 46 ALA N 1 73 VAL O 2.800 2.800 3.300 3.122 3.033 3.181 . 0 0 "[ . 1 . ]" 2
19 1 42 VAL O 1 71 ILE H 1.800 . 2.200 2.131 2.096 2.215 0.015 8 0 "[ . 1 . ]" 2
20 1 42 VAL O 1 71 ILE N 2.800 2.800 3.300 2.975 2.806 3.124 . 0 0 "[ . 1 . ]" 2
21 1 72 THR H 1 91 GLU O 1.800 . 2.200 2.146 2.089 2.224 0.024 4 0 "[ . 1 . ]" 2
22 1 72 THR N 1 91 GLU O 2.800 2.800 3.300 3.061 2.942 3.142 . 0 0 "[ . 1 . ]" 2
23 1 44 VAL O 1 73 VAL H 1.800 . 2.200 2.160 2.086 2.218 0.018 1 0 "[ . 1 . ]" 2
24 1 44 VAL O 1 73 VAL N 2.800 2.800 3.300 3.036 2.822 3.159 . 0 0 "[ . 1 . ]" 2
25 1 74 ARG H 1 93 VAL O 1.800 . 2.200 2.174 2.096 2.231 0.031 11 0 "[ . 1 . ]" 2
26 1 74 ARG N 1 93 VAL O 2.800 2.800 3.300 3.128 3.066 3.197 . 0 0 "[ . 1 . ]" 2
27 1 72 THR O 1 93 VAL H 1.800 . 2.200 2.162 2.098 2.245 0.045 6 0 "[ . 1 . ]" 2
28 1 72 THR O 1 93 VAL N 2.800 2.800 3.300 3.053 2.939 3.205 . 0 0 "[ . 1 . ]" 2
29 1 15 GLU O 1 19 VAL H 1.800 . 2.200 2.171 2.096 2.213 0.013 14 0 "[ . 1 . ]" 2
30 1 15 GLU O 1 19 VAL N 2.800 2.800 3.300 3.106 2.924 3.179 . 0 0 "[ . 1 . ]" 2
31 1 16 ASP O 1 20 PHE H 1.800 . 2.200 2.137 2.099 2.201 0.001 13 0 "[ . 1 . ]" 2
32 1 16 ASP O 1 20 PHE N 2.800 2.800 3.300 3.072 2.942 3.152 . 0 0 "[ . 1 . ]" 2
33 1 17 TYR O 1 21 LEU H 1.800 . 2.200 2.167 2.089 2.217 0.017 12 0 "[ . 1 . ]" 2
34 1 17 TYR O 1 21 LEU N 2.800 2.800 3.300 3.098 3.011 3.182 . 0 0 "[ . 1 . ]" 2
35 1 18 ARG O 1 22 GLU H 1.800 . 2.200 2.170 2.105 2.210 0.010 15 0 "[ . 1 . ]" 2
36 1 18 ARG O 1 22 GLU N 2.800 2.800 3.300 3.041 2.881 3.181 . 0 0 "[ . 1 . ]" 2
37 1 19 VAL O 1 23 ARG H 1.800 . 2.200 2.158 2.094 2.217 0.017 13 0 "[ . 1 . ]" 2
38 1 19 VAL O 1 23 ARG N 2.800 2.800 3.300 3.034 2.890 3.163 . 0 0 "[ . 1 . ]" 2
39 1 20 PHE O 1 24 LEU H 1.800 . 2.200 2.161 2.093 2.211 0.011 3 0 "[ . 1 . ]" 2
40 1 20 PHE O 1 24 LEU N 2.800 2.800 3.300 3.035 2.878 3.186 . 0 0 "[ . 1 . ]" 2
41 1 52 ARG O 1 56 ILE H 1.800 . 2.200 2.166 2.094 2.222 0.022 16 0 "[ . 1 . ]" 2
42 1 52 ARG O 1 56 ILE N 2.800 2.800 3.300 3.103 3.042 3.175 . 0 0 "[ . 1 . ]" 2
43 1 53 ARG O 1 57 LEU H 1.800 . 2.200 2.165 2.092 2.212 0.012 5 0 "[ . 1 . ]" 2
44 1 53 ARG O 1 57 LEU N 2.800 2.800 3.300 3.062 2.917 3.162 . 0 0 "[ . 1 . ]" 2
45 1 56 ILE O 1 60 VAL H 1.800 . 2.200 2.160 2.096 2.203 0.003 6 0 "[ . 1 . ]" 2
46 1 56 ILE O 1 60 VAL N 2.800 2.800 3.300 3.100 3.026 3.156 . 0 0 "[ . 1 . ]" 2
47 1 57 LEU O 1 61 ASP H 1.800 . 2.200 2.167 2.109 2.207 0.007 7 0 "[ . 1 . ]" 2
48 1 57 LEU O 1 61 ASP N 2.800 2.800 3.300 3.065 2.926 3.169 . 0 0 "[ . 1 . ]" 2
49 1 58 GLY O 1 62 LEU H 1.800 . 2.200 2.164 2.100 2.222 0.022 15 0 "[ . 1 . ]" 2
50 1 58 GLY O 1 62 LEU N 2.800 2.800 3.300 3.086 2.968 3.173 . 0 0 "[ . 1 . ]" 2
51 1 59 ALA O 1 63 ALA H 1.800 . 2.200 2.160 2.096 2.227 0.027 6 0 "[ . 1 . ]" 2
52 1 59 ALA O 1 63 ALA N 2.800 2.800 3.300 3.040 2.837 3.167 . 0 0 "[ . 1 . ]" 2
53 1 60 VAL O 1 64 ARG H 1.800 . 2.200 2.160 2.097 2.221 0.021 11 0 "[ . 1 . ]" 2
54 1 60 VAL O 1 64 ARG N 2.800 2.800 3.300 2.973 2.790 3.177 0.010 12 0 "[ . 1 . ]" 2
55 1 101 ARG O 1 105 GLU H 1.800 . 2.200 2.169 2.100 2.219 0.019 12 0 "[ . 1 . ]" 2
56 1 101 ARG O 1 105 GLU N 2.800 2.800 3.300 3.054 2.866 3.177 . 0 0 "[ . 1 . ]" 2
stop_
save_
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