Adding disembl wrapper

git-svn-id: link to svn.lifesci.dundee.ac.uk/svn/barton/ptroshin/JABA2@2685 e3abac25-378b-4346-85de-24260fe3988d

diff --git a/conf/Executable.properties b/conf/Executable.properties
index 6f66e35..0a9b5cd 100644 (file)
--- a/conf/Executable.properties
+++ b/conf/Executable.properties
@@ -65,6 +65,15 @@ cluster.jronn.bin=/sw/java/latest/bin/java
 jronn.jar.file=binaries/jronn3.1.jar\r
 jronn.parameters.file=conf/settings/JronnParameters.xml\r
 jronn.limits.file=conf/settings/JronnLimits.xml\r
-jronn.jvm.options=-Xms32M -Xmx512M\r
+#TODO jronn.jvm.options=-Xms32M -Xmx512M\r
 jronn.cluster.cpunum=4\r
 jronn.cluster.settings=-q 64bit-pri.q -pe smp 4 -l h_vmem=1700M -l ram=1700M -l h_cpu=24:00:00\r
+\r
+\r
+### Disembl configuration - NOT DISTRIBUTED ### \r
+#local.disembl.bin.windows= \r
+local.disembl.bin=/homes/pvtroshin/soft/DisEMBL-1.4raw/DisEMBL.py\r
+cluster.disembl.bin=/homes/pvtroshin/soft/DisEMBL-1.4raw/DisEMBL.py\r
+#disembl.parameters.file=conf/settings/JronnParameters.xml\r
+disembl.limits.file=conf/settings/JronnLimits.xml\r
+disembl.cluster.settings=-l h_cpu=24:00:00 -l h_vmem=6000M -l ram=6000M\r

diff --git a/conf/settings/DisemblParameters.xml b/conf/settings/DisemblParameters.xml
new file mode 100644 (file)
index 0000000..9e50d5d
--- /dev/null
+++ b/conf/settings/DisemblParameters.xml
@@ -0,0 +1,19 @@
+<?xml version="1.0" encoding="US-ASCII" standalone="yes"?>\r
+<runnerConfig>\r
+       <runnerClassName>compbio.runner.disorder.Disembl</runnerClassName>\r
+       <prmSeparator>=</prmSeparator>\r
+       <parameters>\r
+               <name>Default parameters should not be changed!</name>\r
+               <description>Normally the default parameters should not be changed. \r
+               If the query protein sequence is very long, >1000 residues, you can download the predictions and \r
+               use a local graph/plotting tool such as Grace or OpenOffice.org to plot and zoom the data. \r
+               Having identified the potential disordered regions, you should now have a good basis for setting \r
+               up expression vectors and/or comparing the data with obtained structural data. \r
+               </description>\r
+               <optionNames>-sg</optionNames>\r
+               <furtherDetails>prog_docs/disembl.html</furtherDetails>\r
+               <defaultValue>1</defaultValue>\r
+       </parameters>\r
+</runnerConfig>\r
+ \r
+ 
\ No newline at end of file

diff --git a/datamodel/compbio/data/sequence/MultiAnnotatedSequence.java b/datamodel/compbio/data/sequence/MultiAnnotatedSequence.java
new file mode 100644 (file)
index 0000000..580a22e
--- /dev/null
+++ b/datamodel/compbio/data/sequence/MultiAnnotatedSequence.java
@@ -0,0 +1,33 @@
+package compbio.data.sequence;\r
+\r
+import java.util.EnumMap;\r
+import java.util.List;\r
+\r
+/**\r
+ * TODO complete\r
+ * \r
+ * @author pvtroshin\r
+ * \r
+ * @param <T>\r
+ *            enum type\r
+ */\r
+public class MultiAnnotatedSequence<T extends Enum<T>> {\r
+\r
+    private final EnumMap<T, List<Float>> annotation;\r
+\r
+    private MultiAnnotatedSequence(Class<T> type) {\r
+       this.annotation = new EnumMap<T, List<Float>>(type);\r
+    }\r
+\r
+    //    public MultiAnnotatedSequence getFloatInstance(FastaSequence fsequence) {\r
+    // return null;\r
+    //}\r
+\r
+    public EnumMap<T, List<Integer>> getIntegerInstance(Class<T> enumeration) {\r
+       return new EnumMap<T, List<Integer>>(enumeration);\r
+    }\r
+\r
+    public EnumMap<T, List<Float>> getFloatInstance(Class<T> enumeration) {\r
+       return new EnumMap<T, List<Float>>(enumeration);\r
+    }\r
+}\r

diff --git a/datamodel/compbio/data/sequence/SequenceUtil.java b/datamodel/compbio/data/sequence/SequenceUtil.java
index f7c923a..99a8147 100644 (file)
--- a/datamodel/compbio/data/sequence/SequenceUtil.java
+++ b/datamodel/compbio/data/sequence/SequenceUtil.java
@@ -396,4 +396,11 @@ public final class SequenceUtil {
        }\r
     }\r
 \r
+    public static List<AnnotatedSequence> readDisembl(final File result)\r
+           throws IOException, UnknownFileFormatException {\r
+       InputStream input = new FileInputStream(result);\r
+       List<AnnotatedSequence> sequences = readJRonn(input);\r
+       input.close();\r
+       return sequences;\r
+    }\r
 }\r

diff --git a/runner/compbio/runner/_impl/Disembl.java b/runner/compbio/runner/_impl/Disembl.java
deleted file mode 100644 (file)
index ceff5b9..0000000
--- a/runner/compbio/runner/_impl/Disembl.java
+++ /dev/null
@@ -1,77 +0,0 @@
-/* Copyright (c) 2009 Peter Troshin\r
- *  \r
- *  Jalview Web Services @version: 2.0     \r
- * \r
- *  This library is free software; you can redistribute it and/or modify it under the terms of the\r
- *  Apache License version 2 as published by the Apache Software Foundation\r
- * \r
- *  This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without\r
- *  even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the Apache \r
- *  License for more details.\r
- * \r
- *  A copy of the license is in apache_license.txt. It is also available here:\r
- * @see: http://www.apache.org/licenses/LICENSE-2.0.txt\r
- * \r
- * Any republication or derived work distributed in source code form\r
- * must include this copyright and license notice.\r
- */\r
-package compbio.runner._impl;\r
-\r
-import java.util.Arrays;\r
-import java.util.List;\r
-\r
-import compbio.runner._SkeletalCommandBuilder;\r
-\r
-/*\r
- @see \r
- *  Standard DisEMBL \r
- *  DisEMBL.py smooth_frame peak_frame join_frame fold_coils fold_hotloops fold_rem465 sequence_file\r
- print 'A default run would be: ./DisEMBL.py 8 8 4 1.2 1.4 1.2 fasta_file > out'\r
-\r
- new DisEMBL is at /homes/pvtroshin/soft/DisEMBL-1.4raw\r
- This is not a standard DisEMBL! The script has been modified!\r
- DisEMBL.py smooth_frame peak_frame join_frame fold_coils fold_hotloops fold_rem465 [mode] < fasta_file > out\r
- print 'A default run would be: ./DisEMBL.py 8 8 4 1.2 1.4 1.2 < fasta_file'\r
- print 'Mode: "default"(nothing) or "scores" which will give scores per residue in TAB separated format' \r
- */\r
-public class Disembl extends _SkeletalCommandBuilder {\r
-\r
-       private static final String command = "/homes/pvtroshin/soft/DisEMBL-1.4raw/DisEMBL.py";\r
-       static final List<String> params = Arrays.asList(new String[] { "8", "8",\r
-                       "4", "1.2", "1.4", "1.2", "scores" });\r
-\r
-       private final String workDirectory;\r
-\r
-       public Disembl(String workDirectory) {\r
-               this.workDirectory = workDirectory;\r
-       }\r
-\r
-       public static List<String> getTestArgs() {\r
-               return params;\r
-       }\r
-\r
-       public String getCommand(ExecProvider provider) {\r
-               return command;\r
-       }\r
-\r
-       public static String getTestCommand() {\r
-               return command;\r
-       }\r
-\r
-       public String getCommandName() {\r
-               return "DisEMBL";\r
-       }\r
-\r
-       @Override\r
-       public List<String> getCreatedFiles() {\r
-               // TODO Auto-generated method stub\r
-               return null;\r
-       }\r
-\r
-       @Override\r
-       public String getInput() {\r
-               // TODO Auto-generated method stub\r
-               return null;\r
-       }\r
-\r
-}\r

diff --git a/runner/compbio/runner/_impl/Runners.java b/runner/compbio/runner/_impl/Runners.java
index e553c24..9c45eb1 100644 (file)
--- a/runner/compbio/runner/_impl/Runners.java
+++ b/runner/compbio/runner/_impl/Runners.java
@@ -19,43 +19,39 @@ package compbio.runner._impl;
 \r
 public final class Runners {\r
 \r
-       private Runners() {\r
-       }\r
+    private Runners() {\r
+    }\r
 \r
-       public static Mcl getMclRunnable(String workDirectory) {\r
-               return new Mcl(workDirectory);\r
-       }\r
+    public static Mcl getMclRunnable(String workDirectory) {\r
+       return new Mcl(workDirectory);\r
+    }\r
 \r
-       public static OB getOBRunnable(String workDirectory) {\r
-               return new OB(workDirectory);\r
-       }\r
+    public static OB getOBRunnable(String workDirectory) {\r
+       return new OB(workDirectory);\r
+    }\r
 \r
-       public static Disembl getDisemblRunnable(String workDirectory) {\r
-               return new Disembl(workDirectory);\r
-       }\r
+    public static NetNglyc getNetNglycRunnable(String workDirectory) {\r
+       return new NetNglyc();\r
+    }\r
 \r
-       public static NetNglyc getNetNglycRunnable(String workDirectory) {\r
-               return new NetNglyc();\r
-       }\r
+    public static Ronn getRonnRunnable(String workDirectory) {\r
+       return new Ronn(workDirectory);\r
+    }\r
 \r
-       public static Ronn getRonnRunnable(String workDirectory) {\r
-               return new Ronn(workDirectory);\r
-       }\r
+    public static Tmhmm2 getTmhmm2Runnable(String workDirectory) {\r
+       return new Tmhmm2(workDirectory);\r
+    }\r
 \r
-       public static Tmhmm2 getTmhmm2Runnable(String workDirectory) {\r
-               return new Tmhmm2(workDirectory);\r
-       }\r
+    public static RPSBlast getRPSBlastRunnable(String workDirectory) {\r
+       return new RPSBlast(workDirectory);\r
+    }\r
 \r
-       public static RPSBlast getRPSBlastRunnable(String workDirectory) {\r
-               return new RPSBlast(workDirectory);\r
-       }\r
+    public static BlastAll getBlastAllRunnable(String workDirectory) {\r
+       return new BlastAll(workDirectory);\r
+    }\r
 \r
-       public static BlastAll getBlastAllRunnable(String workDirectory) {\r
-               return new BlastAll(workDirectory);\r
-       }\r
-\r
-       public static PSIBlast getPSIBlastRunnable(String workDirectory) {\r
-               return new PSIBlast(workDirectory);\r
-       }\r
+    public static PSIBlast getPSIBlastRunnable(String workDirectory) {\r
+       return new PSIBlast(workDirectory);\r
+    }\r
 \r
 }\r

diff --git a/runner/compbio/runner/disorder/Disembl.java b/runner/compbio/runner/disorder/Disembl.java
new file mode 100644 (file)
index 0000000..4c76854
--- /dev/null
+++ b/runner/compbio/runner/disorder/Disembl.java
@@ -0,0 +1,133 @@
+/* Copyright (c) 2009 Peter Troshin\r
+ *  \r
+ *  JAva Bioinformatics Analysis Web Services (JABAWS) @version: 1.0 \r
+ * \r
+ *  This library is free software; you can redistribute it and/or modify it under the terms of the\r
+ *  Apache License version 2 as published by the Apache Software Foundation\r
+ * \r
+ *  This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without\r
+ *  even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the Apache \r
+ *  License for more details.\r
+ * \r
+ *  A copy of the license is in apache_license.txt. It is also available here:\r
+ * @see: http://www.apache.org/licenses/LICENSE-2.0.txt\r
+ * \r
+ * Any republication or derived work distributed in source code form\r
+ * must include this copyright and license notice.\r
+ */\r
+\r
+package compbio.runner.disorder;\r
+\r
+import java.io.FileNotFoundException;\r
+import java.io.IOException;\r
+import java.util.Arrays;\r
+\r
+import org.apache.log4j.Logger;\r
+\r
+import com.sun.xml.internal.bind.api.impl.NameConverter.Standard;\r
+import compbio.data.sequence.Alignment;\r
+import compbio.data.sequence.UnknownFileFormatException;\r
+import compbio.engine.client.Executable;\r
+import compbio.engine.client.PipedExecutable;\r
+import compbio.engine.client.SkeletalExecutable;\r
+import compbio.metadata.Limit;\r
+import compbio.metadata.LimitsManager;\r
+import compbio.metadata.ResultNotAvailableException;\r
+import compbio.runner.Util;\r
+\r
+/**\r
+ * @see Standard DisEMBL DisEMBL.py smooth_frame peak_frame join_frame\r
+ *      fold_coils fold_hotloops fold_rem465 sequence_file print 'A default run\r
+ *      would be: ./DisEMBL.py 8 8 4 1.2 1.4 1.2 fasta_file > out'\r
+ * \r
+ *      new DisEMBL is at /homes/pvtroshin/soft/DisEMBL-1.4raw This is not a\r
+ *      standard DisEMBL! The script has been modified! DisEMBL.py smooth_frame\r
+ *      peak_frame join_frame fold_coils fold_hotloops fold_rem465 [mode] <\r
+ *      fasta_file > out print 'A default run would be: ./DisEMBL.py 8 8 4 1.2\r
+ *      1.4 1.2 < fasta_file' print 'Mode: "default"(nothing) or "scores" which\r
+ *      will give scores per residue in TAB separated format'\r
+ * \r
+ */\r
+public class Disembl extends SkeletalExecutable<Disembl> implements\r
+       PipedExecutable<Disembl> {\r
+\r
+    private static Logger log = Logger.getLogger(Disembl.class);\r
+\r
+    // Cache for Limits information\r
+    private static LimitsManager<Disembl> limits;\r
+\r
+    public static final String KEY_VALUE_SEPARATOR = Util.SPACE;\r
+\r
+    public Disembl() {\r
+       // remove default input to prevent it to appear in the parameters list\r
+       // that could happen if the parameters are set first\r
+       // super.setInput("");\r
+       addParameters(Arrays.asList("8", "8", "4", "1.2", "1.4", "1.2",\r
+               "scores"));\r
+    }\r
+\r
+    @SuppressWarnings("unchecked")\r
+    public Alignment getResults(String workDirectory)\r
+           throws ResultNotAvailableException {\r
+       try {\r
+           return Util.readClustalFile(workDirectory, getOutput());\r
+       } catch (FileNotFoundException e) {\r
+           log.error(e.getMessage(), e.getCause());\r
+           throw new ResultNotAvailableException(e);\r
+       } catch (IOException e) {\r
+           log.error(e.getMessage(), e.getCause());\r
+           throw new ResultNotAvailableException(e);\r
+       } catch (UnknownFileFormatException e) {\r
+           log.error(e.getMessage(), e.getCause());\r
+           throw new ResultNotAvailableException(e);\r
+       } catch (NullPointerException e) {\r
+           log.error(e.getMessage(), e.getCause());\r
+           throw new ResultNotAvailableException(e);\r
+       }\r
+    }\r
+\r
+    @Override\r
+    public Disembl setInput(String inFile) {\r
+       super.setInput(inFile);\r
+       cbuilder.setLast(inFile);\r
+       return this;\r
+    }\r
+\r
+    @Override\r
+    public Limit<Disembl> getLimit(String presetName) {\r
+       if (limits == null) {\r
+           limits = getLimits();\r
+       }\r
+\r
+       Limit<Disembl> limit = null;\r
+       if (limits != null) {\r
+           // this returns default limit if preset is undefined!\r
+           limit = limits.getLimitByName(presetName);\r
+       }\r
+       // If limit is not defined for a particular preset, then return default\r
+       // limit\r
+       if (limit == null) {\r
+           log.debug("Limit for the preset " + presetName\r
+                   + " is not found. Using default");\r
+           limit = limits.getDefaultLimit();\r
+       }\r
+       return limit;\r
+    }\r
+\r
+    @Override\r
+    public LimitsManager<Disembl> getLimits() {\r
+       // synchronise on static field\r
+       synchronized (log) {\r
+           if (limits == null) {\r
+               limits = Util.getLimits(this.getClass());\r
+           }\r
+       }\r
+       return limits;\r
+    }\r
+\r
+    @Override\r
+    public Class<? extends Executable<?>> getType() {\r
+       return this.getClass();\r
+    }\r
+\r
+}\r

diff --git a/runner/compbio/runner/disorder/GlobProt.java b/runner/compbio/runner/disorder/GlobProt.java
new file mode 100644 (file)
index 0000000..4ef7a3f
--- /dev/null
+++ b/runner/compbio/runner/disorder/GlobProt.java
@@ -0,0 +1,17 @@
+package compbio.runner.disorder;\r
+\r
+/**\r
+ * \r
+ * ./GlobPipe.py SmoothFrame DOMjoinFrame DOMpeakFrame DISjoinFrame DISpeakFrame\r
+ * FASTAfile\r
+ * \r
+ * Optimised for ELM: ./GlobPlot.py 10 8 75 8 8 sequence_file\r
+ * \r
+ * Webserver settings: ./GlobPlot.py 10 15 74 4 5 sequence_file\r
+ * \r
+ * @author pvtroshin\r
+ * \r
+ */\r
+public class GlobProt {\r
+\r
+}\r

diff --git a/testsrc/compbio/runner/_impl/DisEMBLTester.java b/testsrc/compbio/runner/_impl/DisEMBLTester.java
deleted file mode 100644 (file)
index 5386a18..0000000
--- a/testsrc/compbio/runner/_impl/DisEMBLTester.java
+++ /dev/null
@@ -1,96 +0,0 @@
-/* Copyright (c) 2009 Peter Troshin\r
- *  \r
- *  JAva Bioinformatics Analysis Web Services (JABAWS) @version: 1.0     \r
- * \r
- *  This library is free software; you can redistribute it and/or modify it under the terms of the\r
- *  Apache License version 2 as published by the Apache Software Foundation\r
- * \r
- *  This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without\r
- *  even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the Apache \r
- *  License for more details.\r
- * \r
- *  A copy of the license is in apache_license.txt. It is also available here:\r
- * @see: http://www.apache.org/licenses/LICENSE-2.0.txt\r
- * \r
- * Any republication or derived work distributed in source code form\r
- * must include this copyright and license notice.\r
- */\r
-package compbio.runner._impl;\r
-\r
-import static org.testng.AssertJUnit.assertEquals;\r
-import static org.testng.AssertJUnit.assertFalse;\r
-import static org.testng.AssertJUnit.assertNotNull;\r
-import static org.testng.AssertJUnit.assertTrue;\r
-import static org.testng.AssertJUnit.fail;\r
-\r
-import java.text.ParseException;\r
-\r
-import org.ggf.drmaa.DrmaaException;\r
-import org.ggf.drmaa.JobInfo;\r
-import org.testng.annotations.Test;\r
-\r
-import compbio.engine.cluster.drmaa.ClusterUtil;\r
-import compbio.engine.cluster.drmaa.JobRunner;\r
-import compbio.engine.cluster.drmaa.StatisticManager;\r
-import compbio.metadata.AllTestSuit;\r
-import compbio.metadata.JobExecutionException;\r
-import compbio.metadata.JobStatus;\r
-import compbio.metadata.JobSubmissionException;\r
-\r
-public class DisEMBLTester {\r
-\r
-       public static String test_input = "/homes/pvtroshin/TO1381.fasta";\r
-       public static String test_outfile = "/homes/pvtroshin/TO1381.disEMBL.out";\r
-\r
-       @Test(enabled = false, groups = { AllTestSuit.test_group_cluster,\r
-                       AllTestSuit.test_group_runner })\r
-       public void testBuildCommand() {\r
-               Disembl disembl = new Disembl(AllTestSuit.OUTPUT_DIR_ABSOLUTE);\r
-               // TODO\r
-               // disembl.setInput(test_input).setOutput(test_outfile);\r
-\r
-               try {\r
-\r
-                       JobRunner runner = JobRunner.getInstance(null);\r
-\r
-                       assertNotNull("Runner is NULL", runner);\r
-                       runner.executeJob();\r
-                       // assertNotNull("JobId is null", jobId1);\r
-                       JobStatus status = runner.getJobStatus();\r
-                       assertTrue("Status of the process is wrong!",\r
-                                       status == JobStatus.PENDING || status == JobStatus.RUNNING);\r
-                       JobInfo info = runner.getJobInfo();\r
-                       assertNotNull("JobInfo is null", info);\r
-                       StatisticManager sm = new StatisticManager(info);\r
-                       assertNotNull("Statictic manager is null", sm);\r
-                       try {\r
-\r
-                               String exits = sm.getExitStatus();\r
-                               assertNotNull("Exit status is null", exits);\r
-                               int exitsInt = ClusterUtil.CLUSTER_STAT_IN_SEC.parse(exits)\r
-                                               .intValue();\r
-                               assertEquals("Exit status is not 0", 0, exitsInt);\r
-                               System.out.println(sm.getAllStats());\r
-\r
-                       } catch (ParseException e) {\r
-                               e.printStackTrace();\r
-                               fail("Parse Exception: " + e.getMessage());\r
-                       }\r
-\r
-                       assertTrue("Process exited:", sm.hasExited());\r
-                       assertFalse("Process aborted:", sm.wasAborted());\r
-                       assertFalse("Process hasdump:", sm.hasDump());\r
-                       assertFalse("Process signaled:", sm.hasSignaled());\r
-\r
-               } catch (JobSubmissionException e) {\r
-                       e.printStackTrace();\r
-                       fail("DrmaaException caught:" + e.getMessage());\r
-               } catch (DrmaaException e) {\r
-                       e.printStackTrace();\r
-                       fail("DrmaaException caught:" + e.getMessage());\r
-               } catch (JobExecutionException e) {\r
-                       e.printStackTrace();\r
-                       fail("DrmaaException caught:" + e.getMessage());\r
-               }\r
-       }\r
-}\r

diff --git a/testsrc/testdata/disembl.out b/testsrc/testdata/disembl.out
new file mode 100644 (file)
index 0000000..06011cc
--- /dev/null
+++ b/testsrc/testdata/disembl.out
@@ -0,0 +1,1565 @@
+# RESIDUE COILS REM465 HOTLOOPS
+M      0.86010 0.88512 0.37094
+T      0.79983 0.85864 0.44331
+A      0.72031 0.83329 0.42744
+D      0.62168 0.79393 0.24390
+G      0.50983 0.59080 0.11673
+P      0.25998 0.36247 0.06320
+R      0.29879 0.44037 0.06982
+E      0.25286 0.32959 0.05194
+L      0.21085 0.31715 0.04783
+L      0.17763 0.27760 0.02311
+Q      0.16044 0.27182 0.01845
+L      0.18476 0.27532 0.04620
+R      0.22259 0.29066 0.06996
+A      0.26044 0.31137 0.08420
+A      0.28021 0.31834 0.09161
+V      0.31770 0.33024 0.09771
+R      0.34459 0.33123 0.10017
+H      0.35438 0.33015 0.10042
+R      0.34941 0.31879 0.09479
+P      0.33860 0.29840 0.08436
+Q      0.31280 0.26756 0.07276
+D      0.27741 0.22690 0.06044
+F      0.25835 0.18412 0.05193
+V      0.22091 0.15604 0.03427
+A      0.19781 0.13840 0.02145
+W      0.17252 0.12069 0.00934
+L      0.16471 0.13344 0.00824
+M      0.18962 0.14399 0.02030
+L      0.20990 0.15715 0.02233
+A      0.24890 0.18675 0.02482
+D      0.30416 0.20404 0.02828
+A      0.36864 0.21878 0.03293
+E      0.42323 0.24384 0.03802
+L      0.49613 0.27329 0.04467
+G      0.54673 0.30276 0.04821
+M      0.58288 0.32961 0.05112
+G      0.58734 0.35779 0.05103
+D      0.57351 0.39639 0.04991
+T      0.54838 0.40374 0.04728
+T      0.49719 0.41796 0.04257
+A      0.44247 0.42299 0.03589
+G      0.38488 0.42355 0.03230
+E      0.32062 0.43459 0.02845
+M      0.27621 0.43599 0.02370
+A      0.24947 0.43579 0.02298
+V      0.26104 0.44630 0.02480
+Q      0.28555 0.42657 0.02998
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+T      0.29980 0.30414 0.06868
+A      0.26868 0.29321 0.06052
+L      0.23364 0.27896 0.04970
+H      0.22051 0.25973 0.04186
+A      0.23179 0.24984 0.04851
+R      0.23335 0.23713 0.04890
+V      0.23162 0.23371 0.04440
+D      0.25172 0.23958 0.03977
+V      0.29044 0.25186 0.03719
+L      0.32483 0.26622 0.03225
+R      0.36610 0.28707 0.03788
+R      0.41130 0.29881 0.04803
+E      0.44232 0.30062 0.05187
+S      0.49536 0.30071 0.05784
+G      0.54118 0.29716 0.06338
+V      0.57639 0.28954 0.06785
+F      0.59867 0.27496 0.06991
+E      0.60107 0.25610 0.07203
+M      0.58099 0.23012 0.07068
+D      0.53322 0.20945 0.06851
+G      0.47399 0.18955 0.06335
+F      0.42114 0.16455 0.05773
+A      0.36013 0.16009 0.04874
+D      0.30490 0.15986 0.03905
+D      0.25029 0.15580 0.03139
+F      0.19807 0.17233 0.02569
+G      0.15216 0.17909 0.02706
+A      0.10813 0.18638 0.02258
+L      0.07925 0.21160 0.01748
+L      0.06858 0.24220 0.00433
+Q      0.08658 0.25566 0.01655
+A      0.10672 0.27463 0.02276
+L      0.12623 0.30079 0.02695
+A      0.15601 0.33414 0.04016
+R      0.15847 0.42641 0.02400
+R      0.24695 0.44230 0.05018
+H      0.33573 0.35631 0.07730
+G      0.54682 0.34422 0.25423
+W      0.36015 0.55044 0.05833
+L      0.47985 0.62475 0.12977
+G      0.69681 0.58187 0.22957
+I      0.79530 0.62112 0.21132
+# RESIDUE COILS REM465 HOTLOOPS
+M      0.79892 0.92921 0.40349
+G      0.74423 0.81900 0.43658
+D      0.60842 0.82833 0.08939
+T      0.56609 0.75046 0.16294
+T      0.41547 0.66867 0.10656
+A      0.51055 0.67863 0.13553
+G      0.26586 0.62069 0.02838
+E      0.28016 0.66860 0.07984
+M      0.24572 0.57265 0.03040
+A      0.22255 0.54504 0.02639
+V      0.21635 0.52145 0.04038
+Q      0.21690 0.49944 0.03196
+R      0.23267 0.49259 0.03377
+G      0.24055 0.47293 0.03344
+L      0.26254 0.46643 0.03835
+A      0.26420 0.46640 0.03487
+L      0.26992 0.46901 0.03649
+H      0.26850 0.47559 0.03522
+Q      0.25527 0.49484 0.03185
+Q      0.24162 0.49611 0.02721
+R      0.20784 0.50172 0.02291
+H      0.18286 0.48178 0.01972
+A      0.15578 0.46002 0.01334
+E      0.14728 0.43253 0.01101
+A      0.13705 0.43489 0.01111
+A      0.13657 0.42917 0.01404
+V      0.16021 0.41154 0.01697
+L      0.19843 0.40639 0.02186
+L      0.25843 0.42716 0.02856
+Q      0.32025 0.44904 0.03422
+Q      0.39430 0.47343 0.04065
+A      0.46536 0.50341 0.04688
+S      0.54129 0.51709 0.05287
+D      0.60382 0.52582 0.05727
+A      0.64679 0.52530 0.05959
+A      0.66685 0.50589 0.05977
+P      0.65775 0.47456 0.05758
+E      0.61771 0.43295 0.05223
+H      0.55706 0.38420 0.04516
+P      0.49031 0.32019 0.04045
+G      0.42702 0.26643 0.03560
+I      0.37679 0.19749 0.03172
+A      0.32669 0.15611 0.02757
+L      0.27873 0.14734 0.02398
+W      0.25091 0.14955 0.02147
+L      0.23802 0.16403 0.02028
+H      0.24701 0.17079 0.02121
+A      0.25234 0.21273 0.02182
+L      0.26130 0.25656 0.02240
+E      0.26431 0.31278 0.02254
+D      0.25736 0.37006 0.02163
+A      0.24314 0.41915 0.01983
+G      0.22595 0.44507 0.01858
+Q      0.19947 0.47713 0.01644
+A      0.18363 0.51138 0.01469
+E      0.17932 0.51322 0.01509
+A      0.17237 0.50800 0.01518
+A      0.17338 0.49921 0.01566
+A      0.17388 0.49185 0.01698
+A      0.16234 0.46450 0.01724
+Y      0.18601 0.43144 0.02005
+T      0.23484 0.39530 0.02366
+R      0.29684 0.35448 0.02975
+A      0.37098 0.33164 0.03642
+H      0.43798 0.30125 0.04196
+Q      0.50189 0.28279 0.04716
+L      0.55983 0.26400 0.05140
+L      0.60053 0.24016 0.05413
+P      0.61580 0.21851 0.05501
+E      0.60399 0.22079 0.05307
+E      0.57819 0.22202 0.04989
+P      0.53272 0.20311 0.04573
+Y      0.46895 0.19427 0.04013
+I      0.39975 0.19714 0.03277
+T      0.32217 0.19799 0.02772
+A      0.24217 0.21072 0.02151
+Q      0.19856 0.22196 0.01778
+L      0.17882 0.23839 0.01623
+L      0.18015 0.25589 0.01784
+N      0.22099 0.27406 0.02208
+A      0.25886 0.28484 0.02582
+V      0.31229 0.29687 0.03081
+A      0.37329 0.30590 0.03585
+Q      0.41602 0.30036 0.03936
+G      0.44183 0.28467 0.04120
+V      0.47255 0.26943 0.04294
+G      0.49950 0.24672 0.04205
+A      0.52528 0.21836 0.04445
+V      0.52758 0.20546 0.04013
+E      0.52887 0.20662 0.04328
+P      0.52788 0.20814 0.04978
+F      0.52478 0.20575 0.05299
+A      0.51830 0.21316 0.05248
+F      0.51521 0.23772 0.05631
+L      0.51271 0.28019 0.05970
+S      0.51824 0.34046 0.05662
+E      0.51042 0.40157 0.06786
+D      0.50605 0.45548 0.07396
+A      0.51565 0.50970 0.08190
+S      0.51314 0.52265 0.08760
+A      0.51350 0.54811 0.09539
+A      0.53026 0.56442 0.09821
+E      0.54403 0.57520 0.10208
+S      0.57221 0.57416 0.10983
+V      0.57841 0.57213 0.10431
+R      0.60075 0.54032 0.09786
+P      0.62011 0.51067 0.11639
+L      0.63932 0.46748 0.12785
+A      0.64699 0.43929 0.13600
+P      0.65559 0.41463 0.14158
+T      0.67237 0.41278 0.14389
+R      0.68444 0.41621 0.14370
+V      0.68674 0.40699 0.15192
+R      0.69802 0.38662 0.14650
+S      0.69242 0.36595 0.14032
+K      0.66442 0.32203 0.12958
+G      0.63516 0.30503 0.11619
+P      0.61231 0.27691 0.09939
+L      0.58285 0.26232 0.08426
+R      0.57239 0.24178 0.06952
+V      0.55583 0.21093 0.04775
+G      0.54798 0.18271 0.03550
+F      0.54729 0.18625 0.05813
+V      0.56353 0.19115 0.06508
+S      0.58514 0.20302 0.07226
+N      0.61899 0.21760 0.07689
+G      0.64417 0.24094 0.08339
+F      0.66852 0.25410 0.08740
+G      0.67113 0.26439 0.08673
+A      0.65329 0.26395 0.08359
+H      0.59906 0.25471 0.07593
+P      0.53852 0.23852 0.06676
+T      0.46756 0.23838 0.05520
+G      0.39638 0.22887 0.04532
+L      0.32435 0.21985 0.03424
+L      0.25959 0.20622 0.02455
+T      0.21092 0.19002 0.01454
+V      0.16286 0.18984 0.00874
+A      0.13222 0.19663 0.01040
+L      0.13718 0.21327 0.01176
+F      0.15922 0.22668 0.01421
+E      0.19287 0.25014 0.01571
+A      0.24795 0.27481 0.02231
+L      0.30912 0.29319 0.02781
+Q      0.36600 0.31761 0.03436
+R      0.40904 0.32357 0.04039
+R      0.44641 0.31944 0.04550
+Q      0.47387 0.31066 0.04911
+P      0.48015 0.30088 0.05001
+D      0.46585 0.27977 0.04718
+L      0.43848 0.26224 0.04029
+Q      0.41204 0.24283 0.03653
+M      0.40286 0.22376 0.03416
+H      0.38445 0.22935 0.04559
+L      0.40616 0.24686 0.05506
+F      0.44756 0.28038 0.07106
+A      0.47610 0.30637 0.08409
+T      0.52735 0.35044 0.09517
+S      0.56587 0.38896 0.10535
+G      0.57757 0.43154 0.10837
+D      0.58300 0.46681 0.10980
+D      0.55714 0.47586 0.10507
+G      0.52225 0.46343 0.09636
+S      0.49037 0.44504 0.08443
+T      0.44095 0.43528 0.06889
+L      0.37153 0.42133 0.04888
+R      0.31143 0.39708 0.03105
+T      0.27726 0.37781 0.01676
+R      0.27155 0.36109 0.01414
+L      0.28212 0.36818 0.02699
+A      0.32672 0.37349 0.03457
+Q      0.37520 0.37718 0.04759
+A      0.40565 0.37791 0.05522
+S      0.43709 0.38006 0.06145
+T      0.42865 0.37978 0.06213
+L      0.42653 0.37779 0.06203
+H      0.41799 0.35467 0.06181
+D      0.40044 0.33312 0.05776
+V      0.40150 0.31093 0.05556
+T      0.41246 0.30646 0.05349
+A      0.40495 0.29640 0.05083
+L      0.38425 0.29841 0.04063
+G      0.37341 0.31172 0.03907
+H      0.37246 0.32334 0.03285
+L      0.38933 0.33516 0.04222
+A      0.38737 0.36073 0.05225
+T      0.39737 0.37986 0.06044
+A      0.39716 0.39982 0.06460
+K      0.37829 0.40866 0.06597
+H      0.35046 0.39889 0.06465
+I      0.32903 0.38932 0.06095
+R      0.31342 0.37365 0.05668
+H      0.28853 0.35140 0.05380
+H      0.27629 0.33450 0.04777
+G      0.29822 0.30711 0.04648
+I      0.31666 0.28368 0.04202
+D      0.33323 0.24918 0.03960
+L      0.35823 0.24361 0.03424
+L      0.39797 0.22750 0.04012
+F      0.44639 0.21384 0.04190
+D      0.50116 0.22639 0.05091
+L      0.55514 0.24972 0.05808
+R      0.61133 0.27218 0.06250
+G      0.66599 0.28765 0.06599
+W      0.70960 0.29860 0.06791
+G      0.73011 0.30278 0.06742
+G      0.72946 0.30915 0.06371
+G      0.71108 0.30904 0.06168
+G      0.68003 0.30934 0.05571
+R      0.66061 0.29289 0.04656
+P      0.64635 0.27540 0.05550
+E      0.62499 0.25806 0.06154
+V      0.62287 0.23817 0.06756
+F      0.61060 0.22593 0.07470
+A      0.59656 0.21864 0.08205
+L      0.60330 0.21961 0.08723
+R      0.62421 0.23110 0.09194
+P      0.63973 0.23597 0.09437
+A      0.63254 0.24152 0.09269
+P      0.63711 0.23203 0.08998
+V      0.62232 0.23166 0.08314
+Q      0.60255 0.21849 0.07443
+V      0.59309 0.19996 0.06600
+N      0.59586 0.18959 0.05853
+W      0.59987 0.19889 0.04827
+L      0.61528 0.19585 0.04572
+A      0.65515 0.21571 0.05698
+Y      0.69371 0.23266 0.05857
+P      0.73439 0.25305 0.06008
+G      0.74188 0.26312 0.06422
+T      0.75123 0.27052 0.06498
+S      0.76951 0.26451 0.06622
+G      0.76779 0.25325 0.06613
+A      0.72111 0.23147 0.06174
+P      0.67480 0.21248 0.05747
+W      0.62753 0.18266 0.05294
+M      0.56914 0.15468 0.04739
+D      0.51707 0.12451 0.04297
+Y      0.48676 0.10065 0.04061
+V      0.46016 0.10000 0.03796
+L      0.45125 0.09899 0.03673
+G      0.46512 0.11515 0.03756
+D      0.49575 0.13961 0.03981
+A      0.52466 0.15857 0.04193
+F      0.57603 0.17730 0.04653
+A      0.62643 0.18387 0.05093
+L      0.66695 0.17936 0.05452
+P      0.71435 0.19585 0.05745
+P      0.73410 0.21047 0.05962
+A      0.73013 0.21125 0.06018
+L      0.72402 0.22164 0.06056
+E      0.69564 0.22568 0.05896
+P      0.63984 0.23915 0.05487
+F      0.58543 0.24806 0.05085
+Y      0.52763 0.26149 0.04642
+S      0.44437 0.27688 0.03734
+E      0.38994 0.28580 0.03378
+H      0.35698 0.32239 0.03272
+V      0.33694 0.33489 0.03170
+L      0.34704 0.33592 0.03225
+R      0.38340 0.34142 0.03633
+L      0.42595 0.35345 0.04216
+Q      0.47377 0.35116 0.04156
+G      0.54491 0.39114 0.05373
+A      0.59484 0.41648 0.06565
+F      0.64512 0.44408 0.07508
+Q      0.68398 0.47392 0.08236
+P      0.71015 0.50429 0.08796
+S      0.72130 0.54316 0.08945
+D      0.74023 0.56084 0.08986
+T      0.73744 0.58262 0.08960
+S      0.72650 0.59894 0.08635
+R      0.73237 0.61200 0.08672
+V      0.74400 0.63068 0.08153
+V      0.74773 0.62745 0.07749
+A      0.76058 0.62126 0.07520
+E      0.76800 0.60970 0.07795
+P      0.77430 0.59118 0.07922
+P      0.78245 0.55519 0.07148
+S      0.80137 0.54121 0.08379
+R      0.81007 0.51724 0.09656
+T      0.81403 0.49308 0.10518
+Q      0.80079 0.45171 0.11149
+C      0.78528 0.41673 0.11452
+G      0.76190 0.37530 0.11100
+L      0.71814 0.32633 0.10722
+P      0.67495 0.28305 0.10562
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+Q      0.56985 0.20651 0.08806
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+V      0.43535 0.13419 0.05794
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+C      0.41016 0.10273 0.04279
+C      0.43433 0.09879 0.03559
+F      0.50619 0.10500 0.04489
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+N      0.62439 0.14604 0.05781
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+M      0.21762 0.29356 0.02260
+A      0.15041 0.26998 0.01661
+R      0.09545 0.24528 0.01214
+M      0.08442 0.22763 0.01056
+L      0.11346 0.21969 0.01251
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+S      0.41552 0.35343 0.07381
+D      0.42901 0.35420 0.08207
+P      0.42161 0.35639 0.08409
+A      0.41303 0.34579 0.08603
+A      0.38886 0.33013 0.08340
+L      0.34812 0.31386 0.07788
+T      0.29980 0.30414 0.06868
+A      0.26868 0.29321 0.06052
+L      0.23364 0.27896 0.04970
+H      0.22051 0.25973 0.04186
+A      0.23179 0.24984 0.04851
+R      0.23335 0.23713 0.04890
+V      0.23162 0.23371 0.04440
+D      0.25172 0.23958 0.03977
+V      0.29044 0.25186 0.03719
+L      0.32483 0.26622 0.03225
+R      0.36610 0.28707 0.03788
+R      0.41130 0.29881 0.04803
+E      0.44232 0.30062 0.05187
+S      0.49536 0.30071 0.05784
+G      0.54118 0.29716 0.06338
+V      0.57639 0.28954 0.06785
+F      0.59867 0.27496 0.06991
+E      0.60107 0.25610 0.07203
+M      0.58099 0.23012 0.07068
+D      0.53322 0.20945 0.06851
+G      0.47399 0.18955 0.06335
+F      0.42114 0.16455 0.05773
+A      0.36013 0.16009 0.04874
+D      0.30490 0.15986 0.03905
+D      0.25029 0.15580 0.03139
+F      0.19807 0.17233 0.02569
+G      0.15216 0.17909 0.02706
+A      0.10813 0.18638 0.02258
+L      0.07925 0.21160 0.01748
+L      0.06858 0.24220 0.00433
+Q      0.08658 0.25566 0.01655
+A      0.10672 0.27463 0.02276
+L      0.12623 0.30079 0.02695
+A      0.15601 0.33414 0.04016
+R      0.15847 0.42641 0.02400
+R      0.24695 0.44230 0.05018
+H      0.33573 0.35631 0.07730
+G      0.54682 0.34422 0.25423
+W      0.36015 0.55044 0.05833
+L      0.47985 0.62475 0.12977
+G      0.69681 0.58187 0.22957
+I      0.79530 0.62112 0.21132
+# RESIDUE COILS REM465 HOTLOOPS
+M      0.86010 0.88512 0.37094
+T      0.79983 0.85864 0.44331
+A      0.72031 0.83329 0.43668
+D      0.62168 0.79393 0.27484
+G      0.50983 0.59080 0.08453
+P      0.25998 0.36247 0.07824
+R      0.29879 0.44037 0.06849
+E      0.25286 0.32959 0.04415
+L      0.20943 0.31797 0.04618
+L      0.17624 0.28671 0.01931
+Q      0.15219 0.27288 0.01291
+L      0.17077 0.27141 0.04418
+R      0.20773 0.29874 0.07215
+A      0.24652 0.32640 0.08449
+A      0.27945 0.33948 0.09399
+V      0.31413 0.35494 0.09834
+R      0.34058 0.35621 0.10360
+H      0.35819 0.36011 0.10861
+R      0.36170 0.35006 0.10579
+P      0.35340 0.32859 0.09729
+Q      0.33982 0.30310 0.09009
+D      0.31390 0.25550 0.07910
+V      0.29248 0.20603 0.06265
+A      0.25978 0.18203 0.04295
+W      0.23700 0.16252 0.03059
+L      0.20659 0.15437 0.01799
+M      0.19746 0.16052 0.01739
+L      0.22270 0.16616 0.03081
+A      0.26055 0.19292 0.03190
+D      0.30598 0.20791 0.03292
+A      0.36133 0.22227 0.03452
+E      0.41353 0.24276 0.03721
+L      0.48565 0.27072 0.04690
+G      0.53935 0.30076 0.05086
+M      0.57647 0.32767 0.05319
+G      0.58650 0.35718 0.05304
+D      0.57401 0.39529 0.05115
+T      0.54811 0.40315 0.04712
+T      0.49998 0.41707 0.04147
+A      0.44247 0.42420 0.03617
+G      0.38488 0.42355 0.03242
+E      0.32062 0.43459 0.02860
+M      0.27621 0.43599 0.02383
+A      0.24947 0.43579 0.02310
+V      0.26104 0.44630 0.02454
+Q      0.28555 0.42657 0.03013
+R      0.33863 0.41808 0.03695
+G      0.42083 0.41277 0.04739
+L      0.52012 0.40903 0.05934
+A      0.57192 0.40310 0.06618
+L      0.61014 0.39172 0.07155
+H      0.62000 0.38603 0.07143
+P      0.61420 0.38863 0.07132
+G      0.59027 0.36809 0.06880
+H      0.54439 0.37383 0.06386
+P      0.50222 0.36429 0.05768
+E      0.45498 0.35329 0.05279
+A      0.40408 0.33619 0.04550
+V      0.36729 0.33364 0.03718
+A      0.33908 0.34380 0.03627
+R      0.34141 0.35219 0.03640
+L      0.35060 0.35611 0.03942
+G      0.37329 0.36835 0.04165
+R      0.39930 0.37477 0.04556
+V      0.41249 0.38955 0.04707
+R      0.40000 0.39924 0.04544
+W      0.38778 0.41158 0.04330
+T      0.36202 0.43951 0.03890
+Q      0.32894 0.45950 0.03453
+Q      0.29139 0.46461 0.03096
+R      0.24944 0.47555 0.02594
+H      0.22078 0.46457 0.02235
+A      0.18668 0.44830 0.01686
+E      0.15893 0.41673 0.01509
+A      0.13593 0.41862 0.01574
+A      0.13590 0.41297 0.02226
+V      0.16183 0.39515 0.02744
+L      0.19353 0.40028 0.03432
+L      0.24663 0.40988 0.04185
+Q      0.31725 0.43753 0.04970
+Q      0.38948 0.45652 0.05601
+A      0.46684 0.49088 0.06182
+S      0.54056 0.51927 0.06564
+D      0.60106 0.54082 0.06724
+A      0.64620 0.53373 0.06663
+A      0.66884 0.51613 0.06630
+P      0.65928 0.48452 0.06126
+E      0.61097 0.44778 0.05391
+H      0.54571 0.39597 0.04478
+P      0.48380 0.33950 0.03971
+G      0.42532 0.29589 0.03490
+I      0.38661 0.24310 0.03176
+A      0.33624 0.19820 0.02728
+L      0.31498 0.19356 0.02728
+W      0.31509 0.18916 0.02744
+L      0.32331 0.19389 0.02797
+G      0.34600 0.19443 0.02982
+H      0.39377 0.21353 0.03372
+A      0.45252 0.22923 0.03818
+L      0.51886 0.24951 0.04346
+E      0.57539 0.25676 0.04810
+D      0.63234 0.26350 0.05252
+H      0.66654 0.25873 0.05491
+Q      0.69000 0.25600 0.05661
+L      0.72697 0.23892 0.05926
+L      0.73889 0.23497 0.06031
+P      0.72907 0.23147 0.05950
+E      0.69616 0.23346 0.05658
+E      0.64188 0.22949 0.05192
+P      0.59731 0.24316 0.04866
+Y      0.53010 0.23475 0.04373
+I      0.45703 0.24154 0.03800
+T      0.39436 0.24885 0.03356
+A      0.33742 0.25605 0.02930
+Q      0.28694 0.27691 0.02498
+L      0.25054 0.29481 0.02221
+D      0.22341 0.31236 0.02035
+V      0.21482 0.33354 0.01998
+L      0.20065 0.36268 0.01701
+S      0.20526 0.38583 0.01910
+A      0.19260 0.41144 0.01877
+Q      0.16815 0.43924 0.01736
+V      0.16434 0.45274 0.01846
+R      0.17026 0.45505 0.01889
+A      0.20301 0.45055 0.02301
+A      0.23514 0.45000 0.02681
+V      0.26802 0.41894 0.03061
+A      0.31174 0.40011 0.03490
+Q      0.35250 0.36345 0.03870
+G      0.38178 0.32249 0.04062
+V      0.42079 0.29097 0.04295
+G      0.45491 0.26034 0.04537
+A      0.49886 0.22657 0.04895
+V      0.52391 0.20562 0.05130
+E      0.53303 0.20165 0.05126
+P      0.53975 0.20063 0.05403
+F      0.52385 0.20385 0.05161
+A      0.50639 0.22752 0.04984
+F      0.48741 0.26114 0.04846
+L      0.46674 0.28999 0.04597
+S      0.43909 0.33263 0.04400
+E      0.39696 0.36707 0.03985
+D      0.35208 0.41809 0.03509
+A      0.30408 0.46253 0.03007
+S      0.24901 0.46649 0.02454
+A      0.19867 0.47834 0.01929
+A      0.16075 0.50072 0.01365
+E      0.13788 0.50748 0.01122
+Q      0.13506 0.50876 0.01368
+L      0.12169 0.51337 0.01547
+A      0.12136 0.51136 0.01598
+C      0.13259 0.50633 0.01649
+A      0.13448 0.48088 0.01786
+R      0.13417 0.48245 0.02171
+T      0.14810 0.47380 0.02092
+R      0.15594 0.46796 0.02898
+A      0.16180 0.47356 0.03389
+Q      0.19117 0.47436 0.04219
+A      0.22511 0.46346 0.05995
+I      0.26575 0.46364 0.06867
+A      0.31723 0.44786 0.08230
+A      0.37505 0.45856 0.10196
+S      0.43341 0.46499 0.12734
+V      0.50181 0.46517 0.14401
+R      0.55621 0.45469 0.15645
+P      0.60375 0.45290 0.17581
+L      0.64486 0.44417 0.18570
+A      0.66990 0.43379 0.19070
+P      0.68382 0.41168 0.18878
+T      0.70233 0.41020 0.18048
+R      0.72070 0.40484 0.16987
+V      0.71180 0.39972 0.16069
+R      0.71532 0.37964 0.14413
+S      0.70293 0.35656 0.12867
+K      0.67155 0.32107 0.11402
+G      0.63844 0.31759 0.08838
+P      0.61151 0.28482 0.07748
+L      0.58165 0.26357 0.07057
+R      0.56607 0.23944 0.06683
+V      0.55583 0.20985 0.05244
+G      0.54798 0.18271 0.04783
+F      0.54729 0.18625 0.06066
+V      0.56353 0.19115 0.06687
+S      0.58514 0.20302 0.07328
+N      0.61899 0.21760 0.07727
+G      0.64417 0.24094 0.08164
+F      0.66852 0.25410 0.08724
+G      0.67113 0.26439 0.08635
+A      0.65329 0.26395 0.08354
+H      0.59906 0.25471 0.07613
+P      0.53852 0.23852 0.06676
+T      0.46756 0.23838 0.05520
+G      0.39638 0.22887 0.04532
+L      0.32435 0.21985 0.03424
+L      0.25959 0.20622 0.02455
+T      0.21092 0.19002 0.01454
+V      0.16286 0.18984 0.00874
+A      0.13222 0.19663 0.01040
+L      0.13718 0.21327 0.01176
+F      0.15922 0.22668 0.01421
+E      0.19287 0.25014 0.01571
+A      0.24795 0.27481 0.02231
+L      0.30912 0.29319 0.02781
+Q      0.36600 0.31761 0.03436
+R      0.40904 0.32357 0.04039
+R      0.44641 0.31944 0.04550
+Q      0.47387 0.31066 0.04911
+P      0.48015 0.30088 0.05001
+D      0.46585 0.27977 0.04718
+L      0.43848 0.26224 0.04029
+Q      0.41204 0.24283 0.03653
+M      0.40286 0.22376 0.03416
+H      0.38445 0.22935 0.04559
+L      0.40616 0.24686 0.05506
+F      0.44756 0.28038 0.07106
+A      0.47610 0.30637 0.08409
+T      0.52735 0.35044 0.09517
+S      0.56587 0.38896 0.10535
+G      0.57757 0.43154 0.10837
+D      0.58300 0.46681 0.10980
+D      0.55714 0.47586 0.10507
+G      0.52225 0.46343 0.09636
+S      0.49037 0.44504 0.08443
+T      0.44095 0.43528 0.06889
+L      0.37153 0.42133 0.04888
+R      0.31143 0.39708 0.03105
+T      0.27726 0.37781 0.01676
+R      0.27155 0.36109 0.01414
+L      0.28212 0.36818 0.02699
+A      0.32672 0.37349 0.03457
+Q      0.37520 0.37718 0.04759
+A      0.40565 0.37791 0.05522
+S      0.43709 0.38006 0.06145
+T      0.42865 0.37978 0.06213
+L      0.42653 0.37779 0.06203
+H      0.41799 0.35467 0.06181
+D      0.40044 0.33312 0.05776
+V      0.40150 0.31093 0.05556
+T      0.41246 0.30646 0.05349
+A      0.40495 0.29640 0.05083
+L      0.38425 0.29841 0.04063
+G      0.37341 0.31172 0.03907
+H      0.37246 0.32334 0.03285
+L      0.38933 0.33516 0.04222
+A      0.38737 0.36073 0.05225
+T      0.39737 0.37986 0.06044
+A      0.39716 0.39982 0.06460
+K      0.37829 0.40866 0.06597
+H      0.35046 0.39889 0.06465
+I      0.32903 0.38932 0.06095
+R      0.31342 0.37365 0.05668
+H      0.28853 0.35140 0.05380
+H      0.27629 0.33450 0.04777
+G      0.29822 0.30711 0.04648
+I      0.31666 0.28368 0.04202
+D      0.33323 0.24918 0.03960
+L      0.35823 0.24361 0.03424
+L      0.39797 0.22750 0.04012
+F      0.44639 0.21384 0.04190
+D      0.50116 0.22639 0.05091
+L      0.55514 0.24972 0.05808
+R      0.61133 0.27218 0.06250
+G      0.66599 0.28765 0.06599
+W      0.70960 0.29860 0.06791
+G      0.73011 0.30278 0.06742
+G      0.72946 0.30915 0.06371
+G      0.71108 0.30904 0.06168
+G      0.68003 0.30934 0.05571
+R      0.66061 0.29289 0.04656
+P      0.64635 0.27540 0.05550
+E      0.62499 0.25806 0.06154
+V      0.62287 0.23817 0.06756
+F      0.61060 0.22593 0.07470
+A      0.59656 0.21864 0.08205
+L      0.60330 0.21961 0.08723
+R      0.62421 0.23110 0.09194
+P      0.63973 0.23597 0.09437
+A      0.63254 0.24152 0.09269
+P      0.63711 0.23203 0.08998
+V      0.62232 0.23166 0.08314
+Q      0.60255 0.21849 0.07443
+V      0.59309 0.19996 0.06600
+N      0.59586 0.18959 0.05853
+W      0.59987 0.19889 0.04827
+L      0.61528 0.19585 0.04572
+A      0.65515 0.21571 0.05698
+Y      0.69371 0.23266 0.05857
+P      0.73439 0.25305 0.06008
+G      0.74188 0.26312 0.06422
+T      0.75123 0.27052 0.06498
+S      0.76951 0.26451 0.06622
+G      0.76779 0.25325 0.06613
+A      0.72111 0.23147 0.06174
+P      0.67480 0.21248 0.05747
+W      0.62753 0.18266 0.05294
+M      0.56914 0.15468 0.04739
+D      0.51707 0.12451 0.04297
+Y      0.48676 0.10065 0.04061
+V      0.46016 0.10000 0.03796
+L      0.45125 0.09899 0.03673
+G      0.46512 0.11515 0.03756
+D      0.49575 0.13961 0.03981
+A      0.52466 0.15857 0.04193
+F      0.57603 0.17730 0.04653
+A      0.62643 0.18387 0.05093
+L      0.66695 0.17936 0.05452
+P      0.71435 0.19585 0.05745
+P      0.73410 0.21047 0.05962
+A      0.73013 0.21125 0.06018
+L      0.72402 0.22164 0.06056
+E      0.69564 0.22568 0.05896
+P      0.63984 0.23915 0.05487
+F      0.58543 0.24806 0.05085
+Y      0.52763 0.26149 0.04642
+S      0.44437 0.27688 0.03734
+E      0.38994 0.28580 0.03378
+H      0.35698 0.32239 0.03272
+V      0.33694 0.33489 0.03170
+L      0.34704 0.33592 0.03225
+R      0.38340 0.34142 0.03633
+L      0.42595 0.35345 0.04216
+Q      0.47377 0.35116 0.04156
+G      0.54491 0.39114 0.05373
+A      0.59484 0.41648 0.06565
+F      0.64512 0.44408 0.07508
+Q      0.68398 0.47392 0.08236
+P      0.71015 0.50429 0.08796
+S      0.72130 0.54316 0.08945
+D      0.74023 0.56084 0.08986
+T      0.73744 0.58262 0.08960
+S      0.72650 0.59894 0.08635
+R      0.73237 0.61200 0.08672
+V      0.74400 0.63068 0.08153
+V      0.74773 0.62745 0.07749
+A      0.76058 0.62126 0.07520
+E      0.76800 0.60970 0.07795
+P      0.77430 0.59118 0.07922
+P      0.78245 0.55519 0.07148
+S      0.80137 0.54121 0.08379
+R      0.81007 0.51724 0.09656
+T      0.81403 0.49308 0.10518
+Q      0.80079 0.45171 0.11149
+C      0.78528 0.41673 0.11452
+G      0.76190 0.37530 0.11100
+L      0.71814 0.32633 0.10722
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+V      0.47230 0.15205 0.06666
+V      0.43535 0.13419 0.05794
+L      0.40715 0.11369 0.05152
+C      0.41016 0.10273 0.04279
+C      0.43433 0.09879 0.03559
+F      0.50619 0.10500 0.04489
+N      0.57712 0.12335 0.05514
+N      0.62439 0.14604 0.05781
+S      0.63807 0.18419 0.05701
+Y      0.64582 0.21583 0.05612
+K      0.62340 0.24793 0.05276
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