mspire 0.5.0 → 0.6.1

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (107) hide show
  1. data/README.rdoc +24 -0
  2. data/Rakefile +51 -0
  3. data/VERSION +1 -0
  4. data/lib/cv/description.rb +18 -0
  5. data/lib/cv/param.rb +33 -0
  6. data/lib/cv.rb +3 -0
  7. data/lib/io/bookmark.rb +13 -0
  8. data/lib/merge.rb +7 -0
  9. data/lib/ms/cvlist.rb +76 -0
  10. data/lib/ms/digester.rb +245 -0
  11. data/lib/ms/fasta.rb +86 -0
  12. data/lib/ms/ident/peptide/db.rb +243 -0
  13. data/lib/ms/ident/peptide.rb +72 -0
  14. data/lib/ms/ident/peptide_hit/qvalue.rb +56 -0
  15. data/lib/ms/ident/peptide_hit.rb +26 -0
  16. data/lib/ms/ident/pepxml/modifications.rb +83 -0
  17. data/lib/ms/ident/pepxml/msms_pipeline_analysis.rb +70 -0
  18. data/lib/ms/ident/pepxml/msms_run_summary.rb +82 -0
  19. data/lib/ms/ident/pepxml/parameters.rb +14 -0
  20. data/lib/ms/ident/pepxml/sample_enzyme.rb +165 -0
  21. data/lib/ms/ident/pepxml/search_database.rb +49 -0
  22. data/lib/ms/ident/pepxml/search_hit/modification_info.rb +79 -0
  23. data/lib/ms/ident/pepxml/search_hit.rb +144 -0
  24. data/lib/ms/ident/pepxml/search_result.rb +35 -0
  25. data/lib/ms/ident/pepxml/search_summary.rb +92 -0
  26. data/lib/ms/ident/pepxml/spectrum_query.rb +85 -0
  27. data/lib/ms/ident/pepxml.rb +112 -0
  28. data/lib/ms/ident/protein.rb +33 -0
  29. data/lib/ms/ident/protein_group.rb +80 -0
  30. data/lib/ms/ident/search.rb +114 -0
  31. data/lib/ms/ident.rb +37 -0
  32. data/lib/ms/isotope/aa.rb +59 -0
  33. data/lib/ms/mascot.rb +6 -0
  34. data/lib/ms/mass/aa.rb +79 -0
  35. data/lib/ms/mass.rb +55 -0
  36. data/lib/ms/mzml/index_list.rb +98 -0
  37. data/lib/ms/mzml/plms1.rb +34 -0
  38. data/lib/ms/mzml.rb +197 -0
  39. data/lib/ms/obo.rb +38 -0
  40. data/lib/ms/plms1.rb +156 -0
  41. data/lib/ms/quant/qspec/protein_group_comparison.rb +22 -0
  42. data/lib/ms/quant/qspec.rb +112 -0
  43. data/lib/ms/spectrum.rb +154 -8
  44. data/lib/ms.rb +3 -10
  45. data/lib/msplat.rb +2 -0
  46. data/lib/obo/ims.rb +5 -0
  47. data/lib/obo/ms.rb +7 -0
  48. data/lib/obo/ontology.rb +41 -0
  49. data/lib/obo/unit.rb +5 -0
  50. data/lib/openany.rb +23 -0
  51. data/lib/write_file_or_string.rb +18 -0
  52. data/obo/ims.obo +562 -0
  53. data/obo/ms.obo +11677 -0
  54. data/obo/unit.obo +2563 -0
  55. data/spec/ms/cvlist_spec.rb +60 -0
  56. data/spec/ms/digester_spec.rb +351 -0
  57. data/spec/ms/fasta_spec.rb +100 -0
  58. data/spec/ms/ident/peptide/db_spec.rb +108 -0
  59. data/spec/ms/ident/pepxml/sample_enzyme_spec.rb +181 -0
  60. data/spec/ms/ident/pepxml/search_hit/modification_info_spec.rb +37 -0
  61. data/spec/ms/ident/pepxml_spec.rb +442 -0
  62. data/spec/ms/ident/protein_group_spec.rb +68 -0
  63. data/spec/ms/mass_spec.rb +8 -0
  64. data/spec/ms/mzml/index_list_spec.rb +122 -0
  65. data/spec/ms/mzml/plms1_spec.rb +62 -0
  66. data/spec/ms/mzml_spec.rb +50 -0
  67. data/spec/ms/plms1_spec.rb +38 -0
  68. data/spec/ms/quant/qspec_spec.rb +25 -0
  69. data/spec/msplat_spec.rb +24 -0
  70. data/spec/obo_spec.rb +25 -0
  71. data/spec/spec_helper.rb +25 -0
  72. data/spec/testfiles/ms/ident/peptide/db/uni_11_sp_tr.fasta +69 -0
  73. data/spec/testfiles/ms/ident/peptide/db/uni_11_sp_tr.msd_clvg2.min_aaseq4.yml +728 -0
  74. data/spec/testfiles/ms/mzml/j24z.idx_comp.3.mzML +271 -0
  75. data/spec/testfiles/ms/mzml/openms.noidx_nocomp.12.mzML +330 -0
  76. data/spec/testfiles/ms/quant/kill_extra_tabs.rb +13 -0
  77. data/spec/testfiles/ms/quant/max_quant_output.provenance.txt +15 -0
  78. data/spec/testfiles/ms/quant/max_quant_output.txt +199 -0
  79. data/spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv +199 -0
  80. data/spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv_qspecgp +199 -0
  81. data/spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv_qspecgp.csv +199 -0
  82. data/spec/testfiles/ms/quant/pdcd5_final.txt +199 -0
  83. data/spec/testfiles/ms/quant/pdcd5_final.txt_qspecgp +0 -0
  84. data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.CSV.csv +199 -0
  85. data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.csv +199 -0
  86. data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.csv +199 -0
  87. data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv +199 -0
  88. data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp +199 -0
  89. data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp.csv +199 -0
  90. data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.txt +199 -0
  91. data/spec/testfiles/ms/quant/pdcd5_lfq_tabdel.txt +134 -0
  92. data/spec/testfiles/ms/quant/pdcd5_lfq_tabdel.txt_qspecgp +134 -0
  93. data/spec/testfiles/ms/quant/remove_rest_of_proteins.rb +13 -0
  94. data/spec/testfiles/ms/quant/unlog_transform.rb +13 -0
  95. data/spec/testfiles/plms1/output.key +0 -0
  96. metadata +157 -40
  97. data/README +0 -77
  98. data/changelog.txt +0 -196
  99. data/lib/ms/calc.rb +0 -32
  100. data/lib/ms/data/interleaved.rb +0 -60
  101. data/lib/ms/data/lazy_io.rb +0 -73
  102. data/lib/ms/data/lazy_string.rb +0 -15
  103. data/lib/ms/data/simple.rb +0 -59
  104. data/lib/ms/data/transposed.rb +0 -41
  105. data/lib/ms/data.rb +0 -57
  106. data/lib/ms/format/format_error.rb +0 -12
  107. data/lib/ms/support/binary_search.rb +0 -126
@@ -0,0 +1,199 @@
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+ "protid" "protLen" 0 0 0 1 1 1
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35
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+ "B3KUH0;Q8WUX9;E5RJI3;B3KRZ9;E5RIU9;B4DKJ6" 1 17.05801 17.9016 -8.524639 -8.500674 -3.22365 -6.724072
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62
+ "P08238;B4DGL0;B4DMA2;Q6PK50;Q58FF7;Q58FF8;A8K3W9;Q9H6X9;Q14568;Q86SX1;B4DTA5;O14942;P14625;Q5CAQ5;Q12931;Q53FS6;Q53G55;Q9BV61;B4DR68;Q8N9Z3;Q59FC6;Q96HX7;Q58FG1;Q96GW1;E9PHH7;Q5T9W4;Q5T9W8;B4DQX3;E9PHI1;E9PHI2;Q5T9W5;Q5T9W6" 1 21.50896 21.49892 21.6747 20.74041 19.85345 20.78987
63
+ "D3DPU2;B4DI38;B2RDY9;Q01518;B4DNW7;B4DNY3;Q01518-2;Q5T0R1;Q5T0R2;Q5T0R3;Q5T0R4;Q5T0R5;Q5T0R6;Q5T0R7;B4DNA3;B4DUZ8;Q5T0R9;E7ENY9" 1 21.6832 21.56025 21.57261 21.13871 20.94027 21.01004
64
+ "Q53FR9;Q9P000;E9PJ95;B4DQW0;E9PAN2;B4DIH0" 1 -9.596016 18.24776 -7.699231 -10.7063 -10.17703 -13.45574
65
+ "P61086;C9JGP1;B4DIZ2;D6RDM7" 1 -8.994216 -12.62541 -5.835931 -8.976171 -7.628281 18.02702
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+ "P17812;B4DMB5;B4E1E0;B4DR64;B7Z9C4" 1 -9.063957 -10.08892 -11.26493 -11.47813 -11.13477 -11.11889
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+ "B5ME63;Q92835;Q92835-2;Q92835-3;B4DQ61" 1 -5.391627 -9.045222 -8.187441 -9.703869 -6.676554 -10.21431
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+ "Q53G16;Q7Z4W5;Q9UMR2;Q9HBZ9;Q9NUU7;B4DXS6;E7EMK4;Q2NL95;Q9UMR2-2;B4DS24;E7EPY4" 1 18.80146 -7.213804 -17.52335 -18.3976 -7.410078 -11.72704
70
+ "E9PCF5;B4DT31;E9PEB5;C9JT73;Q96AE4-2;E7EMK0;Q96AE4;B4DWL1;B4E0X8;Q6PJY1;Q59FU3;C9JSZ1;A3KFK8;Q96I24;A6NJ37;Q96I24-2" 1 21.01536 20.88487 20.59596 20.02188 20.60991 19.93848
71
+ "Q14103;Q14103-2;Q14103-3;B4DTC3;Q14103-4;Q12771;B9ZVU1;D6RAF8;B4E0W4;D6RF44;D6RBQ9;O14979;O14979-2;B4DTA2;O14979-3;D6RD83" 1 20.51768 20.62819 20.17207 19.77349 19.95844 20.11032
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+ "P25685;Q6FHS4;Q6FI51;B4DX52;B4DKK9" 1 -11.34094 -5.602256 -9.866002 18.82448 -9.522322 -15.38411
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+ "B4DZF2;Q59G42;D3DQV9;P78344;P78344-2;Q2TU89;E9PCV8;Q3LIE0" 1 -8.065076 17.53374 -10.82608 -12.04515 -10.95889 -7.42203
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+ "Q9Y371-2;Q9Y371;B4E182" 1 -2.551314 -7.276527 -7.441837 -14.31029 -7.28746 -5.179357
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+ "P28066;Q5U0A0;B4E2V4" 1 -12.5564 -11.23456 16.1719 -2.304186 -14.18422 -8.240927
81
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+ "B5BU32;B5BUF9;P04183" 1 -9.703285 -11.10878 -5.453605 -10.84511 -14.27154 -10.94397
83
+ "B5BU38;P04083;Q5TZZ9;Q5T3N1;Q5T3N0;B4DL19;Q05BR2" 1 21.04059 20.88502 20.86439 18.36158 18.94135 -5.979648
84
+ "Q8N6T3-2;Q8N6T3;B7ZBI2;Q8N6T3-3;B7Z3U0;E7EV62;B7Z8H8;E5RHH7" 1 -13.99549 -8.407551 -16.42668 -19.41523 -9.075064 -11.88774
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88
+ "Q9NVD7;B7Z952;E9PS97;Q9NVD7-2" 1 -9.460929 -11.15873 -13.67356 -9.492962 -9.836108 -10.73004
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90
+ "B7ZLS9;Q15431;Q9H2G7;Q5VXJ5" 1 -10.23098 -7.656287 -15.66482 -7.089435 -11.6862 -11.56794
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+ "C7DJS2" 1 -9.09039 -9.746332 -8.25273 -8.557491 -10.93754 -12.68969
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+ "Q15942;C9IZ41" 1 -5.137085 -16.57598 -10.65647 -10.01639 -11.41379 -9.139287
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+ "Q9BUL8;C9J5C3;C9J6F3;C9J363;C9JND6;C9JSA3" 1 -12.56861 -10.74126 -15.59777 -9.194325 -18.0781 -12.45802
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+ "E9PC16;C9JEQ5" 1 -8.375236 -13.61158 -13.66537 -13.72985 -15.36838 -10.02013
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98
+ "D3DQ70;D3DQ69;Q8NC51;Q8NC51-2;Q8NC51-3;Q5VU21;Q63HR1;Q8NC51-4" 1 -12.37386 -7.763814 -17.1609 -5.07688 -8.629203 17.46786
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100
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101
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+ "E5KN55;E5KN59;Q08752;Q6FGM6;Q05DH6" 1 -9.400893 -15.53695 -13.06128 -7.844266 -9.440896 -12.51987
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105
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106
+ "Q9H0U4;Q9H1C9;E7EWA5;Q6FIG4;Q92927" 1 23.89208 23.98198 23.74273 22.67282 22.63962 22.37263
107
+ "E9KL23;P01009;P01009-2;P01009-3;Q13747;Q9P173;C1KH65;A7L8C5;A7L8C6;B2D098" 1 20.19039 -9.17988 -6.633758 19.48016 -15.74496 -9.44243
108
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110
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114
+ "Q9UHX1;Q9UHX1-2;Q9UHX1-5;Q9UHX1-3;Q9UHX1-6;Q9UHX1-4;E9PQ56;E9PN18;E9PMU7;E9PL19" 1 -15.87114 -10.66053 -9.407564 15.60574 -18.49609 -22.69006
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+ "O43175;B3KSC3;Q5SZU1;Q9UMY2;Q8N5M8;Q9UMY3;Q96RV6;Q96RV7" 1 21.11108 20.84751 20.54425 19.98607 19.97533 19.86478
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119
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125
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126
+ "P06733;P06733-2;E2DRY6;Q9BT62;Q96GV1;D3DTL2;P09104;P13929;Q6FHV6;E7ERT6;P13929-2;B7Z2X9;P13929-3;D3DTL4;Q9NPL4;A4QMW8" 1 20.06894 19.9805 20.20275 -9.30103 19.39897 19.33723
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+ "P07355-2;P07355;A6NMY6;B4DNH8;B3KRQ1" 1 25.34996 25.25158 25.17976 24.09184 23.9968 24.0441
128
+ "P07384;B2RDI5;A8MSM1;B4DWH5;E9PRM1;E9PQB3;E9PLQ6;E9PSA6;E9PJA6;E9PMC6;E9PLC9;E9PJJ3;E9PLX0;E9PIA9" 1 21.46508 21.429 21.70771 19.9959 19.90806 19.46408
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+ "P07437;Q5SU16;Q5JP53;B4DY90;B7ZAF0;Q6LC01;Q5ST81;B7ZAK1;B4DQN9;E7EX69;B4E052;Q9BUU9;B4DMU8;E9PBJ4;B4DMJ5;B4DXZ5;E7ENH1;Q96B85;Q1KSF8;A5D906;A5D907;A1L195;Q6P602;A4UCT2;A6NNZ2;Q5SQY0;C9JAA5;CON__ENSEMBL:ENSBTAP00000025008;Q9H4B7;A6NKZ8;Q5SQY1;A1L196;A4UCU2" 1 24.5093 24.59024 24.54646 22.91379 22.79198 23.11634
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+ "P08758;E7ENQ5;D6RBL5;D6RBE9;E9PHT9;B4DNG6" 1 19.69729 19.32854 19.04817 18.29212 18.16315 19.23916
133
+ "P09211;A8MX94;C7DJS1;B2C310" 1 22.56888 22.45493 22.36209 22.41568 22.29765 21.92401
134
+ "P09382" 1 25.12017 25.13739 24.96354 24.19024 23.97044 24.05961
135
+ "P09651;P09651-2;Q0VAC0;Q32P51;Q6IPF2;P09651-3;Q9BSM5;B4E0B5;B4DP35" 1 19.90721 19.9045 19.93934 19.30425 19.05261 19.30828
136
+ "P11142;Q53GZ6;E9PKE3;B3KTV0;E7ET08;P11142-2;Q53HF2;Q96IS6;E9PNE6;B4DTX2;E9PLF4;E9PN89;E9PK54;E9PQK7;E9PQQ4;B4E1Q1;E9PI65;E9PPY6;E9PN25;P54652;A8K7Q2;B3KUS2;Q96BE0;E9PS65;Q96H53;Q9NWW3;Q9NZ87;P11021;B4DEF7;C9IYE6;A4D111;E9PM13;E9PSH5" 1 23.61358 23.56023 24.01171 23.54097 23.31769 23.14404
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+ "P11586;B7Z809" 1 19.62578 20.54501 20.32608 -7.156656 19.10991 -13.73077
138
+ "P12273" 1 -10.83245 -10.53748 -10.03411 -13.35282 -12.67365 -10.41932
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+ "P13639;B4DPU3;Q8TA90;Q6PK56;B4DRE8;B4DMC6;Q6W6M8" 1 23.80902 23.84 23.60162 22.4743 22.20774 22.27481
140
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+ "P14618;P14618-2;B4DUU6;E7EUQ8;E9PF79;B4DNK4;B4DRT3;Q8WUW7;E7EUJ4;Q504U3;Q9UKK4;Q9UK31;Q9NYI7;Q9UN47" 1 22.23248 22.28729 21.86359 21.69562 21.39037 21.54581
142
+ "P17987;E7EQR6" 1 17.85392 17.0281 18.56309 27.4677 27.4964 27.33048
143
+ "P18206;P18206-2;B3KXA2;B4E3Q9;P18206-3;Q5JQ13;B4DKC9;B4DTM7" 1 21.10534 21.0001 19.93531 18.44273 19.34953 19.23079
144
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146
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148
+ "P30050;P30050-2;Q59FI9" 1 19.5282 19.22771 19.76158 19.58602 19.40674 19.05608
149
+ "P31151" 1 21.41101 20.94049 -5.475178 -13.97814 -14.54195 -11.57172
150
+ "P31949" 1 -6.616476 -17.54778 -14.59551 -8.167336 -10.0172 -9.259502
151
+ "P35754" 1 -9.601591 -9.607951 -13.12461 -14.6505 -6.372745 -8.536594
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+ "P46060;B4DY16;B0QYT4;B0QYT5;B4E0U0;Q9BSK3;B0QYT6" 1 -7.518831 -13.19537 -8.816086 -10.24924 -10.07651 -16.03507
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+ "P48643;Q9BU08;E7EWW2;B4DZT5;B4DXI1;E9PCA1;B7ZAR1;B4DDU6;B4DX08;D6RHV5" 1 -10.50235 -9.97741 -13.23022 -13.70337 -9.895056 -8.993415
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+ "Q59H77;P49368;E9PAQ6;B3KX11;Q5SZY0;Q2TU64;B4DUR8;A6NE14;Q5SZX6;E9PRC8;Q5SZW8;Q5SZX9;E9PM09;E9PQ35;Q5SZX8;Q16878;Q16857" 1 19.61184 19.67721 19.23673 27.72175 27.93568 27.5947
155
+ "P50990;Q53HU0;B4DEM7;Q7Z759;B4DQH4" 1 22.38743 22.56686 22.1832 27.88052 28.13256 27.85863
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+ "P50991;A8K3C3;B7Z8B1;B7Z9L0;B7Z2Z8;B7Z2F4" 1 18.2702 19.35316 18.61924 27.32071 27.30583 27.11088
157
+ "P51148;P20339;P61020;Q6FI44;Q6FI54;B4DJA5;B4DKD7" 1 22.42401 22.49931 22.80075 21.62582 21.73723 21.4171
158
+ "P51149;B4DPH9;C9J592;C9J8S3;C9J4V0;C9J4S4;C9J7D1;C9IZZ0" 1 21.89807 21.86948 21.64777 20.35681 20.17121 20.69702
159
+ "P61026;Q53T70" 1 21.11388 22.00717 -10.0114 20.01209 20.61746 20.56104
160
+ "P61088" 1 21.85935 21.72226 21.87376 20.92832 20.85681 20.85711
161
+ "P61106" 1 -13.46907 -14.33496 -7.414689 -12.04448 -11.67296 -10.06022
162
+ "P61204;P84077;B4DEB9;B4DLJ3;A4D0Z3;P84085;B4DN70;B4DJC8;C9J1Z8;B4E190;B7ZB63" 1 21.42992 21.4289 21.03113 21.60603 21.18041 21.39603
163
+ "P61289-2;P61289;Q6FHK7;B3KQ25;B7Z8D3" 1 22.46214 22.42846 22.45651 21.61553 21.28444 21.46523
164
+ "Q5VXS0;P61960" 1 -5.901867 -11.14697 -7.353172 -9.288275 -9.663898 -14.19445
165
+ "P62258;P62258-2;B7ZA86;B4DJB0;C9JAV0;B4DJF2" 1 -9.879312 -9.866565 -16.13984 -19.80651 15.69759 -12.41216
166
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167
+ "Q01995;Q5U0D2;Q6FI52;Q53GC9;E9PC82;Q59FA5;E9PJ32" 1 21.99186 21.96116 22.44831 21.29905 21.51831 21.04414
168
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