X405	X284	X294	X179	X14	X4	X482	X198	X223	X331	X262	X244	X475	X445	X491	X471	X9	X487	X292	X22	X31	X334	X399	X394	X473	X186	X176	X167	X133	X102	X462	X122	X217	X384	X91	X460	X311	X313	X59	X183	X130	X38	X141	X497	X483	X239	X235	X197	X357	X375	X15	X48	X156	X408	X360	X304	X168	X289	X157	X347	X13	X282	X225	X280	X273	X148	X466	X206	X19	X310	X268	X55	X447	X380	X178	X358	X56	X290	X131	X390	X256	X485	X364	X139	X467	X446	X263	X354	X107	X458	X370	X18	X144	X465	X326	X236	X499	X177	X67	X112	X303	X120	X425	X190	X472	X434	X393	X281	X100	X6	X299	X421	X89	X413	X227	X378	X330	X35	X115	X464	X386	X411	X93	X145	X275	X147	X165	X480	X315	X191	X395	X196	X224	X97	X229	X359	X450	X211	X121	X233	X355	X387	X454	X221	X397	X46	X365	X435	X173	X203	X188	X117	X166	X44	X194	X132	X245	X498	X426	X2	X459	X95	X291	X352	X266	X26	X406	X63	X109	X477	X349	X341	X152	X184	X23	X185	X431	X403	X187	X293	X345	X285	X160	X249	X448	X420	X64	X201	X234	X209	X305	X270	X317	X279	X159	X33	X32	X103	X312	X398	X28	X73	X76	X40	X222	X318	X415	X376	X479	X138	X62	X327	X402	X212	X308	X189	X439	X180	X37	X214	X441	X202	X127	X128	X429	X481	X261	X440	X333	X274	X453	X374	X287	X113	X158	X88	X241	X72	X101	X428	X114	X252	X356	X69	X269	X7	X336	X337	X182	X372	X242	X335	X438	X54	X181	X74	X123	X265	X163	X8	X58	X389	X119	X204	X259	X463	X231	X143	X98	X348	X346	X134	X350	X468	X451	X324	X319	X492	X124	X392	X106	X36	X322	X255	X379	X116	X414	X215	X83	X47	X105	X321	X328	X171	X419	X149	X382	X232	X443	X81
sp1	1.20411318319271	0.615057517908889	1.07079035249615	0.420389938202462	0.490533356443588	1.26373396983738	1.14453334598564	0.732275331485433	0.51471440377558	0.734229489780586	0.521725415665682	0.636797596794732	1.18760804059022	0.650248004126958	1.14202700247981	0.921573500285964	0.980158589813971	0.664369178096277	0.835789021509345	1.03310885224938	0.56861435208251	0.700032842018604	0.630106132638561	1.36069340045624	1.24856579815926	0.221609480752696	0.31052042881558	1.12928204736108	0.939434510190575	0.942975556041801	0.980518144861253	0.77567000867004	0.534115426508827	1.29885392522062	0.860783904082125	0.948552377095383	1.16214261621692	1.13440803192424	1.05084743781765	0.802601288669709	0.79925336854071	0.726749031308055	0.797634669516116	1.166599486835	0.738734719934254	0.522663563639378	0.575563825798067	0.336345625312132	0.549077012872595	0.54016489309377	0.429323605322862	1.01416153149304	0.993332385243166	0.357287984039299	0.825016912599725	0.876546617726403	0.488682430610701	1.23607242400387	0.806535994291447	1.10958298652485	1.10725522268636	0.49106396600314	0.853117015655614	0.664318173596204	1.06546869692344	0.74501604887538	0.687124211116273	0.620651310054091	0.961350948822921	0.991881032719145	1.14327993067039	0.60764736941361	1.01003466857885	1.05772732523676	0.957499714887986	0.70325966920838	0.972214714301932	0.485363437066101	0.64940385436424	1.15316444512442	1.11095618029889	0.711690402599251	0.452979427785193	0.785118502933983	0.497790308062169	1.33699314674046	0.901639864289302	0.787364435669692	0.906620704989153	0.759257232664845	0.6446162685673	1.07679010528411	1.13946098706603	0.585879317397624	0.633377203010963	0.572356790724522	1.0501800222381	0.331534200147088	0.640449865722283	1.23460000405993	1.05687317115826	0.574057574972794	0.658205034098248	0.537712235475809	1.08127452069032	1.09242100834325	0.741615159908351	0.527340379504427	0.444875681687518	1.01436664146764	0.519736020935683	0.552576199760011	1.16950549488771	1.21520999890772	0.378418133146346	0.762009901186166	1.13465522980908	1.15650650614289	0.759475250741359	0.925460412547359	0.719848887936823	0.80545175059585	0.855252018043713	0.995403661530757	1.34511730722301	0.562541013995593	1.30930716710822	0.882849225354232	0.505456097887216	1.3092428317805	0.837329427473339	0.900040182725977	1.09857147246998	1.17033701761042	0.58744014103979	1.26731486949077	0.41152712277422	0.477195818746956	0.802856517811511	0.746346674934011	0.999606939240518	1.33243030769274	0.671797931253278	0.66008016302223	1.24557398222079	0.798342222047226	1.02684989273207	1.24436157867446	1.20133816247478	0.367263397183926	0.996212303020026	1.16262315601201	1.1884573108552	0.872039905746316	0.922231771123418	0.452050115646638	0.513598040990876	0.815829052709574	0.648803729862192	0.762101520942737	1.13467555043491	0.593107954503973	0.961395783415116	0.63892718600154	0.993094742446318	0.587818659891404	0.701898337155682	0.782894683046648	1.26891570734938	0.697647317524983	0.691658987078708	0.366343504909272	0.50417105596494	0.434448848029342	0.291577644007789	0.80199338937329	0.757310039344149	0.772302928303022	0.516353325637205	1.01107254680474	0.729212309068563	1.1125602118888	0.5233798698905	0.920692611816232	1.07274986697872	1.18663714757322	0.385491772290103	0.400997203255334	0.910173590596627	0.90859234097364	0.459240967927887	0.844019942085202	0.51498388672955	0.38950094616182	0.932179321395039	0.96318078823968	1.07861314074832	0.831066711071585	0.378087506883009	0.449476081487206	1.08009885657681	1.16263816943125	0.983395588413517	1.0615422346529	0.522176776763195	0.598429811671434	0.353225240643215	1.02555490752461	0.976420602032237	0.456153575171454	1.0433230499078	0.797223866509491	0.693127401117113	0.942915657270132	0.601431271818516	0.988897212807611	0.456536538238248	0.695182713486425	0.760188909038809	0.753114420892944	0.837773633340866	0.464637659759181	0.758331189855305	1.12940316551481	0.848576941869885	0.669451639864859	0.947467766327951	1.20493779616917	1.13578275201727	0.791602089785131	1.06898919995916	1.03500365135068	0.917873953477678	0.541988208551548	0.977652809647251	0.950346905806057	0.879593162852332	1.30054034337484	0.95815565044673	0.963576610747865	0.446059249106373	1.16569954696466	0.966894386109638	0.533530694946783	0.853800570604997	1.06752967054811	0.483746625630473	0.851016829830183	0.487334295522926	1.01637090654696	0.523696412125094	1.03778453393317	0.658674385590017	1.16611937866538	1.0036391946835	0.619056742302539	0.751946665104027	1.35102805974133	0.641245525732071	1.15372457600015	1.00825271924153	0.729066955186973	0.687502164940102	1.0882433862055	1.18720724976046	0.550712094445357	1.39615513162869	0.560963458698949	0.957315768282034	0.652429351258652	0.919172875166545	0.748044357675404	0.604600775124877	1.02455003862604	0.628370320092743	0.472296753183639	1.36186094364049	0.877336326456612	0.910448662716461	0.827852695993215	0.58278522585156	0.934208204365585	0.760747493406365	1.28014761999406	0.4144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sp2	0.584886808085697	0.329323877959095	0.760616723262478	0.714296526711977	0.872434606502892	0.584108321068608	0.6710025100755	1.03076856674813	1.03033883165699	0.00311295147830225	0.388318622449111	0.814166878992274	0.606279642776677	1.14024902821221	0.570710707621566	0.198552878452229	0.519587263111214	0.887940856264528	0.912158394338031	0.61131820573694	0.19190242902185	0.367563696953576	0.921345023978957	0.338611964005295	0.00352057468387063	0.169829192506748	0.00761062171874391	0.989306985235278	0.569442848378137	0.588626697597365	0.720288467868783	0.236270875682174	0.521367338075556	0.338035683039916	0.268050931256219	0.181507147980372	0.398724662132168	0.0629993907603477	0.107967777024273	0.530704566662551	0.860057612248614	0.229777569528708	0.249080044710618	0.819349100501891	0.649457656339638	0.883490963944753	0.169269042438714	0.626667455508358	0.235108467464841	0.551188647935982	1.03538208222441	0.523622055349971	0.651560900505308	1.08618973594944	0.686146787670843	0.0949515019640306	0.507384345435894	0.299380823809563	0.656864210319468	0.583171572931769	0.731470415392018	0.956234329114092	0.608941966778838	0.284161260658498	0.253157718875827	0.539775380302168	1.1212732808516	1.01372106367978	0.109883307472791	0.156282100371859	0.210856920442237	0.513598303885063	0.176959890561407	0.111534777412333	0.713580505845509	0.281048602653541	0.0984595651970524	0.20672353115183	0.937767503586625	0.617164623004609	0.599511690238119	0.134403719789621	0.479438718045025	0.47578782405273	0.282152581683087	0.577990372329638	0.668555280950543	0.498855524747318	0.576002957651327	0.686833885617003	0.65602755169491	0.908827838745964	0.00871864990019519	0.313322878775225	0.680836647570521	0.179988754946776	0.193838568594306	0.443870629611204	0.403501357166701	0.619831609159813	0.646022319465787	0.667968231423024	0.743933137026484	0.213894342745369	0.452762869794168	0.0828557275092409	0.275992146290078	0.595940980214282	0.13352509427196	0.974460419191393	0.254076534329684	0.58482960025399	0.616838958690655	0.97391402455068	0.719941933432984	0.0743012094158844	0.101741090004208	0.0683334425678389	0.877501382352222	0.000340432969718148	0.960722295872099	0.235593753283556	0.466608221766629	0.909970950259273	0.844484809501176	0.968820805753007	0.308193970974378	0.822274110381108	1.05758729377366	0.273986583990391	0.129957744669345	0.628095695063329	0.553401557675723	0.593134711578428	1.04432611130285	0.457274794920003	0.249484095141405	0.616052307622789	0.406983367196325	0.849789897956009	0.418573992163315	0.558682535187294	0.565388724996127	0.595791684723926	0.234176501748443	0.0583492618635132	0.451981513654307	0.884941015747801	0.626770562831269	0.423585056929376	0.291452053792173	0.670613904039631	0.705424804975448	0.617277981890625	0.739433651741732	0.657180842050437	0.921163392054553	0.583722467030966	0.806162273094107	0.318423014607669	0.0737424682905354	1.11059660221925	0.331308206542674	0.526721845734965	0.296748837715699	0.462783022293072	1.11949232570686	0.79695908352623	0.672028361975964	0.541121712049087	0.955874265607121	0.549740876768303	0.90766383821924	0.384477409054152	0.229192472633967	0.748724972298597	0.565658902804168	0.496695842604187	0.919073310506936	0.212723089046064	0.317482854131847	0.692660130739255	0.509158408710827	0.465111077792339	0.184819575680481	0.152770357629768	0.443068209070992	0.704454605566667	0.478112232643147	0.667079674597908	0.392277513703966	0.301743775974594	0.559626179143791	0.171711746389284	0.0843548701640032	0.786604387212597	0.323055561223709	0.330996986717652	0.111001487854241	0.106068573960654	0.755094158614693	0.0562456935832151	0.831390216283921	2.09776843169395e-06	0.399777016549897	0.297954008807875	0.61299979849184	0.735214898291557	0.176915675796482	0.35656084106618	0.0980039706892588	0.563385796735279	0.0153418832017957	0.669525838680499	0.257542474411205	0.245231667412137	0.696777170999702	0.123576227132387	0.0801530640899343	0.861889786620509	0.844313003279222	0.55124742628577	1.03993616263143	0.252319787650748	0.820519727051119	1.07945661360678	0.835836637308934	0.391387854635875	0.876362442402953	0.494951563038051	0.764453238708165	0.316592161553126	0.249466016191115	0.759116185431354	0.757216997346524	0.91938714774509	0.688611074116361	0.708356291527364	0.298416298039906	0.104289417969942	0.605264690187178	0.117124075469382	0.0100138301699514	0.931561431248218	0.252979614600151	0.180673472915567	0.607930453404251	0.268222691093821	0.716745784217725	0.284083230557166	0.652418069207324	0.0822104064913611	0.893517934531513	0.288335977481895	0.182820890840115	0.750546870633445	0.956505781914064	0.609911040038617	0.693816685938223	0.749910852218789	0.610304673177398	0.331416443463589	1.11382982153955	0.363195957231039	0.331108255089599	0.485077764248965	0.374657628068079	1.00020874641857	0.40117299101534	0.323308862824121	0.939243204697254	0.333504939544824	0.833347376850775	0.987707099597794	0.693169889167144	0.665461744473477	0.406414193238572	0.560813210391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sp3	0.945516039369392	0.760332958902919	0.229522711951279	0.6876762062488	0.126737151212209	0.884375313045732	0.722202604153549	0.870498470895761	0.727458292671558	0.29773485767388	0.467038056689204	0.85402353189606	0.56091165237474	0.830744636112131	0.91073725174845	0.901460544255483	0.30884297386684	0.179133730558966	0.838663709475821	0.876617344994678	0.720704171874657	0.274240451811806	0.401400301315245	0.479614158364978	0.323962026888038	0.161894335599987	0.145895718181376	0.833590744678482	0.840782805245835	0.197524885816135	0.924325630322691	0.26749622419831	0.185973446679345	0.956461612046733	0.856071114921472	1.00861598269531	0.522102082090523	0.812429364606591	0.586077444131369	0.65680694610967	0.987696373025176	0.503962424842084	0.732017257752838	0.73001633372883	0.610929327380717	0.160598612860061	0.311603845067718	0.907937865203142	0.339270300747493	0.988104114267473	0.454983156927586	0.173162235365492	0.290700589448378	0.517710033601953	0.64356971682312	0.20936467720556	0.779476583207976	0.153264390040538	0.686008328496368	1.07318977584101	0.19434371822953	0.878477125600404	0.884870183630489	0.295760807304212	1.12105390173132	0.338572785855284	0.808327777650268	0.665079047369728	0.339978213294165	0.254858973781607	0.565320681419025	0.670617970960029	0.148989959371765	0.73145666087011	0.324561892731495	0.774235086946879	0.675574388221994	0.24039150459466	0.649285996587444	0.552169358880578	0.861391852780742	0.812880939889346	0.27439122762366	0.401473194329411	0.272593371112332	0.933621449419357	0.620004591454925	0.357579208620392	0.8637233173506	0.839875211142539	0.149055612069482	0.629423505976234	0.783189359194961	0.84143783140792	0.167566874643127	0.255714436506879	0.653944850231058	0.294444831707272	0.721382593688302	0.320119514217937	0.7226357309576	0.576174070173312	0.756382535416307	0.616122104957441	0.205755645363537	0.134631367067372	0.470583207789394	0.628232017603195	0.604114413369049	0.751412375995091	0.684649419746137	0.780333120359448	0.912714856640464	0.829978413324061	0.275148020117172	0.309784668503179	0.68105535057768	0.584310460206016	0.485147992489357	0.532973691413718	0.550649357491026	0.548173974810633	0.560397243239632	0.600873506461849	0.768195991377323	0.423604467835422	0.384916330888846	0.4105960847231	0.544650024828241	0.973243920005676	0.681282090823583	0.0402249966938284	0.236880340519726	1.06794657760992	0.793595781315891	0.863564648211562	0.907521719162422	0.834988849919829	0.182080997484079	0.482305380662171	0.857394769871948	0.74532513880238	0.946146205829144	0.64214464909138	0.567318476018829	0.673619623101408	0.603673984527504	0.944636740283627	0.928126458067275	0.131060041899004	0.735488670094101	0.148477554500059	0.802216277835082	0.34390204974934	0.241431497624981	0.349818860641159	0.740137422293874	0.7495698453148	0.209231231900361	0.0475513333108442	0.586703082995016	0.852240891357123	0.447139725750968	0.304012892205434	0.786546420174384	0.468360233204034	0.882669795147799	0.271821854403769	0.864066388796728	0.570877172159902	0.391141348127744	0.642698436284929	0.671395594284128	1.01804023696086	0.314998439606228	1.06147133058015	0.437369271414968	0.771715728833667	0.348870285608817	0.272247855098712	0.361562240274053	0.17230581633603	0.810323688495521	0.716458845329817	0.803917814503097	0.251803817416387	0.62635117617894	0.487840579873994	0.889867028041509	0.687201233644282	0.688557182915428	0.174731704816961	0.0730355828921521	0.393965348961052	0.57566813751405	0.779274408082295	0.355103574465548	0.379617746641157	0.163385245996523	0.423105803423505	0.378398241322981	0.191027882561415	0.627498618785941	0.171067320207003	0.880682326820174	0.137486767865557	0.297310945688932	0.156884911215293	0.201319804523197	0.0993165403979881	0.932688133616771	0.499675500844067	0.489935385597008	0.949550741963439	0.156362343709869	0.504172540113163	0.316147964907824	0.176831602377493	0.17263888837411	0.350734137793872	0.589747066077869	0.0133422939911472	0.926704557865687	0.107222781456602	0.240324126554827	0.790042224406317	0.794955530597028	1.00295130086227	0.627160772708	0.354760826990289	0.638548475151531	0.575220170328446	1.05181522501703	0.176107877828066	0.352515612372966	0.698351365779437	0.360677746479295	0.44957049005053	0.619966660682967	0.766827473230977	0.0748582576535202	0.193019276574376	0.504597654188859	0.559228682902427	0.767930332250889	0.25933149763691	0.283039218297866	0.579808004352385	0.409610328982088	0.187689870220481	0.48653760867564	0.821027416217223	0.0702221817814764	0.615399058762989	0.275942571957103	0.323649251376727	0.557684160298372	0.926604653387337	0.526930635141573	0.643109251214713	0.869272930654594	0.470605592412904	0.777726799326042	0.704669692816593	0.543434591883165	0.489923723042361	0.938005532419261	0.78446289280168	0.912783332467503	0.839433992365198	0.67840612180558	0.583950713581533	0.660680505552208	0.688789953785379	0.360089423977507	0.202063465481913	0.957370104088682	0.802284227801664	0.557478451739782	1.02533897455474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sp4	0.379610662804557	0.342229858635059	0.566706869580143	0.0934432157152133	0.227010965549083	0.259912450974179	0.214329289301308	2.58571365842522e-11	0.496971291653519	0.302721662599256	0.298402613218608	2.00932224756273e-08	8.17610736346627e-06	9.93998827213693e-06	0.604406118924584	0.381453213405158	0.627288274277974	0.189768386727822	0.123202924222793	0.819921328279866	0.261930422838866	0.220396740591411	0.718198512560152	0.619057591656386	0.767940839199169	0.706093481221759	0.386054912212488	0.263723940860298	0.443107607879318	0.300238226538097	0.103137333559724	0.875417456315638	0.360758832938486	1.43404878896515e-09	0.31135568418417	3.23188647267171e-06	0.715517531466306	0.00026282356088659	0.31293843689999	0.16260081500352	0.0960546094275495	0.235626335313641	0.00762989091322583	0.192822795290794	0.725624903130927	0.707095549464798	0.259466320330421	0.00446075585348128	0.971513389346173	0.558903275211878	0.30805421028697	0.726340796682296	0.293473792161116	0.422800953808452	0.691817475007822	0.18185576915399	0.34344002576624	1.06354479194832	0.76644887652384	0.473093678328338	0.254831770922132	0.0514627147807035	0.608293710870757	0.590527306801815	0.449793916618885	0.518013623128617	1.25979989432903e-07	3.55222647416571e-08	0.392128723771551	1.09222532143017	0.343450021709987	0.650707758786356	0.191313109581092	0.000228035475784692	0.00968292586737683	0.252201433331911	0.539177571975212	0.480491371008766	0.484742169246335	0.13425204848169	4.64620328936766e-07	0.54599499452374	0.853963838483198	0.746960066232352	0.363890034169808	0.421684731477065	0.271405535077235	0.372769311802375	0.70671643005815	0.340497362310094	0.468084583866609	0.719978354485346	0.543366601342044	0.0392286974645936	0.113475034294673	0.716758092362495	3.67101656731139e-06	0.561540710186888	0.351059448609499	0.77518070306836	0.614410737575996	0.318166086972168	0.00013439884116877	0.305824159869046	0.121608894301839	0.464545712738117	0.198014447495115	0.868181090109278	2.01505613216901e-06	0.675449066999383	0.322758509311375	0.222483778924233	0.277864629023616	0.472122397695945	0.210547199790282	0.532137033670333	0.0700252883930744	0.665909469020014	0.311247975327894	0.334987071567365	0.382800215042062	0.481437492896104	0.487515801435024	0.340841994599485	0.445922892402488	0.753723638811214	0.221685281794619	0.76131610022312	0.303400075514104	0.564595216197897	8.31937655761052e-05	0.726775408644681	0.634411701860182	0.00095384394717591	0.339015510508901	0.0978509933472292	0.498649110834387	0.266200367552769	1.0514911596917	0.359086171194307	0.307961182230283	0.328442495372753	0.0468467537529075	0.572385993566693	0.662977162608852	0.207074833999107	0.156001309779925	0.566675116713384	0.222040126007453	0.251217282699656	0.379326981804072	0.46474926797621	0.0402467820321353	0.257638138381812	0.477251709962593	0.541728066884862	1.35148332003232e-06	0.913118275011061	0.637044143768269	0.763231143068409	0.676002002789805	0.302915971864107	0.458638337150108	0.991695419597263	0.515099451012355	0.460181549154925	0.595517541477301	0.0524554855756874	0.093641072799125	0.522974580830707	0.615553317243673	0.104302747346036	0.00616019630907565	0.000122267966532729	0.827346725155373	0.541535147013269	0.313135714742576	0.352442768748383	0.328452651159732	0.573490348507251	0.589667521835691	0.315498339102594	0.698211230388833	0.317799188252686	0.76951383514045	0.399741217551546	0.131951363714968	0.254880795225116	0.145116081763905	0.791022162734769	0.15847702028405	0.342803096686906	0.760858892731061	0.488894087648961	1.79342002522437e-05	0.617208992302639	0.678962094623487	0.863329176227418	0.221472287532004	0.40984891015204	0.678061881515578	0.511910781223197	0.468584193105206	0.317882693074491	0.505372370265282	0.164440520252853	0.0393320069237111	0.417354929460929	0.258664729985738	0.663991339753003	1.61305751912534e-08	0.627729691086247	0.658776385934474	0.474863565214174	0.325419013383082	0.526319915357718	0.536427530966991	0.783978653135065	0.388590163227115	0.165096734647978	0.794382078669487	0.610397594271274	0.824549925435187	0.516131946498868	0.560045788910967	0.136066763688555	0.112668650683085	7.54662656096999e-05	0.60286225592974	0.636025704919991	0.116118827376266	0.670117284580924	0.000828257553829003	0.455971487505565	0.720969558884788	0.202549397611746	0.572238898661404	0.119218134831795	0.477701096141194	0.219206659328074	0.899619387971419	0.557230613875525	0.540494915830828	0.134683809112601	0.803330959893106	0.536798874787817	0.206829244406559	0.101931821672274	0.795312835686066	0.0663311069086439	1.00393295095292	0.859406938240549	1.01465581550033	0.428662907521449	0.592257469032916	0.615626476369556	0.710426883255074	0.496214912969526	0.825059353932537	0.879424979531514	0.51615470330343	0.370973442258914	0.00683701975779885	4.16581107500695e-06	0.598280454163646	1.2986448131239e-06	0.493433374416906	0.140174482864347	0.256948849800308	0.0473929271023004	0.693747722843166	0.299205221579194	0.44512938021799	0.671472749607271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