X14	X461	X15	X232	X296	X3	X16	X7	X466	X187	X329	X35	X284	X497	X302	X264	X463	X171	X17	X75	X392	X144	X349	X378	X86	X471	X499	X277	X379	X427	X294	X154	X156	X261	X287	X167	X244	X269	X143	X323	X246	X444	X376	X228	X77	X239	X76	X268	X354	X181	X439	X151	X435	X450	X39	X138	X423	X168	X366	X272	X159	X322	X377	X410	X481	X127	X5	X117	X226	X459	X374	X249	X474	X424	X190	X223	X260	X142	X369	X306	X237	X240	X320	X6	X97	X370	X458	X401	X324	X204	X155	X339	X18	X389	X224	X121	X211	X403	X454	X449	X456	X416	X20	X415	X445	X291	X248	X257	X118	X400	X57	X81	X202	X46	X59	X303	X267	X451	X210	X348	X275	X428	X327	X488	X85	X500	X332	X498	X281	X295	X33	X214	X487	X189	X438	X325	X283	X134	X200	X147	X309	X353	X119	X462	X335	X357	X299	X133	X2	X43	X381	X197	X470	X131	X4	X305	X10	X177	X347	X321	X219	X265	X29	X221	X422	X193	X448	X42	X61	X160	X417	X412	X408	X71	X49	X292	X364	X426	X373	X125	X82	X393	X28	X201	X50	X80	X195	X383	X256	X67	X44	X455	X346	X84	X330	X280	X361	X476	X367	X229	X464	X398	X312	X13	X79	X350	X442	X319	X180	X173	X212	X235	X286	X468	X276	X443	X494	X95	X30	X341	X390	X145	X47	X405	X254	X386	X345	X493	X176	X166	X460	X91	X419	X316	X65	X227	X495	X338	X362	X27	X238	X162	X141	X83	X300	X90	X263	X355	X413	X336	X129	X146	X60	X397	X48	X148	X473	X222	X492	X104	X288	X482	X334	X192	X215	X25	X89	X486	X282	X64	X109	X101	X175	X11	X55	X440	X453	X484	X388	X395	X68	X315	X52	X69	X132	X1	X196	X469	X421	X490	X110	X278	X380	X63	X491	X363	X38	X365	X409	X51
sp1	0.878269725056463	1.05500358905196	0.932256716348679	0.770456234997766	1.19104995581872	0.524533506028952	0.552157853416962	0.774141663781113	0.982040973190072	0.226500284951322	0.628210664468595	0.491875652574752	0.389371088418799	0.795663870734666	0.916960730015449	0.415940934586394	0.946625917872181	0.671148805508864	0.535544749072358	0.453158057176358	1.14064490824609	0.899443700209268	0.421458508796539	1.14050367708226	0.591439279018744	0.764584187810835	0.30147697742026	0.847534887931184	0.857586513677402	1.14743703428878	0.907117060350713	0.656749769005542	0.748212270175623	0.75078808727086	0.805872133906499	0.296003904709662	0.752604003532782	0.685204281642369	0.738200480669996	0.811106308006389	0.549966236341973	0.497307591826733	0.280074351604605	0.770987661418442	0.65722479285841	0.657375936794603	0.92015305040399	0.518091339244203	0.546278735935658	0.905126973465068	0.923036490451575	1.02081215322135	0.313508524853989	0.690927624077648	0.62367315861366	1.00850117692438	1.07215258863668	0.571977974124746	1.1548870902341	0.468808094580026	1.06654601258173	0.464086585424218	1.20060713192186	0.332682531293002	0.305290900362806	1.09042695049965	0.454827011561536	1.2042495475684	1.12370829021858	1.32281431522938	0.815314197637525	0.439336411018673	0.99554704253254	0.73675715587827	0.651905425629042	0.89440893991684	0.908472722056761	1.03073888395654	0.949955612610996	1.02474946247817	0.685852761761268	0.5492204502114	0.693212861591296	0.782277831939456	0.41987726798628	0.825042391237919	0.946054381730554	0.653910135124054	0.714691917560048	1.02052891556178	0.728427564724559	0.867782030778092	0.419375145423794	0.825943934821976	0.804651000419151	0.730765666292604	0.670702859232666	0.530928755630991	0.219046220531992	0.987656119678316	1.09986376673256	0.237844226610698	0.467496670377919	0.309336692706156	0.587254184171572	0.64749045670928	0.841786470497873	0.712237931072586	0.741862845858443	0.266092896612855	0.605867973633594	0.953933537333646	1.13770817823459	0.463814142815558	0.421262983674207	0.269385901978404	1.20364927888516	0.372033040175435	0.876684820208754	1.27837607253872	0.722837386786995	0.249780542245614	0.190191522089426	0.728916010535697	0.972986483171504	0.444586833108176	1.14786020778306	0.684137667279848	0.234958046130319	0.830708441760529	0.84402414801324	0.882587508120125	0.404881037077628	1.35186011510512	1.02387522962217	0.762677847366935	0.901701309035588	0.701087298387126	0.527268756257918	0.359018856734314	0.292029508905152	0.528548760801902	1.27370520672989	0.526568932403638	0.408295197205969	0.717246063051876	1.13413777633773	0.463982411575692	0.503704445230184	0.520013316488294	1.09131995306425	0.253045151727567	0.341179018813683	0.931478896260256	0.374163786845855	0.919485738704688	0.322921062111016	1.19371920417404	0.524071595217215	0.531539973700682	0.460698757413766	1.21508118663761	0.907753901844441	0.544284695176711	0.242407688980373	0.560847302333881	0.867269078546206	0.557467762057028	0.324316816500346	0.646579310934116	0.848217321058547	0.472009594917638	1.24376517342467	0.554146826366678	0.433182468739411	0.564706634256635	0.665240857132016	0.385449621461701	0.959045213438904	0.365100290053187	0.272857531211117	0.412814601199311	1.19093554474562	0.419911789097763	0.789544270476747	0.513334442292918	0.43318366555129	1.01010801150449	0.74289168461806	1.07577959845697	0.531888623185437	0.490996054229717	0.878307619196946	0.699652379085389	1.07055463728286	0.618134763006109	0.577120567627008	0.530709698803135	1.16794753569421	0.782971939261302	1.02155382958877	1.14333101118992	1.1061310899175	0.592022689480826	0.845520082927559	0.787001017781939	0.521101550437544	0.914790281370234	1.1433375143641	1.05268222867461	0.56084948837102	0.70943167398321	0.417354331862116	0.763996242865962	0.685564788782791	0.147129494206885	0.563287554991941	0.266457716951429	1.25786163161416	0.456029348836988	0.550083587999725	0.308135220065302	1.07230740495792	0.703844418033438	0.688928151945603	1.01321531220852	0.706386652975703	0.433193294304457	0.587614795400279	0.562591720650042	0.34213724896334	0.432446531374332	0.246142404714664	0.306338038725266	0.18336734435838	0.982694340722533	1.16656709180528	0.925515154300096	1.26493609701167	0.593982564544401	0.455415827807542	1.02425152393817	1.08018523968348	1.2298496929379	0.0716478935016456	0.514778934230092	0.256514131992295	1.05749548633245	0.489101716382818	0.468373535257316	1.05886109467894	0.743020654716967	0.350539909558823	0.358464305039621	0.613173060451759	0.920362265422246	0.936577720304812	0.355305320209047	0.811403112109377	0.244749054255989	1.35206767391026	0.765061856256285	1.01119497633567	0.240872998420193	0.557541500614189	0.500379901065271	0.477544729448009	0.731498692629446	0.381937520491533	0.566569981096078	0.221161309076577	0.219608537404848	0.945426163904793	0.963597231494679	0.423354637399298	0.619543119788738	0.441744677191844	0.829277394473699	0.920666590595746	0.882848299175651	0.72514320965634	0.8256337255279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sp2	0.564608249366019	0.26643342605773	0.146363232119336	0.674273607170371	0.3364108822029	0.947482235692759	0.769995260542942	0.108990647890843	0.116990967312661	0.176031552629472	0.951817619172589	0.498436265876689	0.990783015677338	0.169583019514338	0.353143152422447	0.501502872364125	0.104844469870835	0.849980640864724	0.536208985711288	0.699372680470989	0.307893933521298	1.08513332812201	1.14962214963011e-05	0.812166263321891	0.765087740361276	0.673126304570807	0.471382868361799	0.859976598062533	0.670201697334702	0.320038059424506	0.865870364535042	0.382090152223551	0.0198615880987395	0.921459079930094	0.674159765116316	0.81347433386073	1.03399110201022	0.553002800381549	0.640473808545777	0.155812733472136	0.784963684151723	0.0130514422439719	0.775846201898976	0.354915214602971	0.110689570563309	0.384415161942471	0.843461527212051	0.255855686982536	0.193160984128211	0.088402109682941	0.559349366605173	0.355503618674635	0.607127191878029	0.107505810877906	0.221581945674911	0.33115894805232	0.891588601973644	0.0715507073104865	0.204735979277773	0.459889616537979	0.198906560750079	0.0458127098881776	0.586119993061394	0.181359129808041	0.477553868406771	0.790406376269808	0.120615561109423	0.530683519943127	0.454210555745987	1.19341207784002	0.881668973103759	0.0683776519006894	0.493428831388801	0.307686366703249	0.00357084596909096	0.546465333939483	0.316462334724225	0.352935443540268	0.180563404718032	0.0670355881638781	0.561969821204003	0.676502997834088	0.24694130813198	0.424172031242296	0.630811155461738	0.273306780310997	0.697152360973041	0.453802579511081	0.220302281373213	0.567062713034144	0.490377336509189	0.786395918353753	0.000298266606949088	0.609677115568174	0.0548324067335428	0.593867918143912	0.244929899553884	0.349171959306287	0.101934715434184	0.461916935767811	0.444494461783342	0.541311406015946	0.178991139232649	1.04835829457991	0.354045006648949	0.199780824815435	0.509275882420545	7.2689188050635e-05	0.226495720779544	0.085245513902473	0.659845367619622	0.0325829615812728	0.544638668679395	0.0528903326212006	0.555453308854614	0.599129369051448	0.842368047931214	0.728041568491182	0.060192397514006	0.96084484784607	0.188071351654115	0.685745943160904	0.527272645913332	0.590170857252255	0.126129259209271	0.652941913961195	0.797374191860697	0.87823490463673	0.806297351988069	0.787319398643863	0.383069772451485	0.393407791899423	0.396866460028278	0.957672367315443	0.6352817606694	0.535287505246418	0.577974351486643	0.697784325516421	0.58476810006485	0.333866065026054	0.110913904469348	0.670604434314514	0.729920741524451	0.621812394859043	0.0480945626708874	0.296780106820526	0.94924198124588	0.727213282572939	0.283872907763894	0.834379037623437	0.716133639335124	0.268722750544907	0.336997416372017	1.08734794710231	0.795041769081698	0.210117453859523	0.0311008551905126	0.707242529999209	0.419919132070984	0.111453702590991	0.12492750355368	0.875350927253362	0.880931165925503	1.02530818872018	0.647296517983391	0.24137902656131	0.248598999743722	1.01447905065431	0.397629077725823	0.484567611046856	0.166675997457254	0.263459414936646	0.186346454728212	0.809784349565575	0.76050368345388	0.276893555597438	0.0851297051027137	0.929131677258579	0.228696250281018	0.272494008228505	0.477613440440746	0.163802841778055	1.145823200753	0.405325903268258	0.368191216682021	0.463417097512149	0.766860962121402	1.09264603004269	0.0906266786618306	0.617414820540922	0.424944014661463	0.167824915547771	1.01904903040722	0.939435834756241	0.28683454305039	0.922034715184544	0.928239628023889	0.765149147363341	0.5492530358803	0.43547109264837	0.788239476219547	0.759828150957134	0.997000896344148	0.431904404433367	0.79917456880146	0.14539271222584	3.74832182471631e-05	0.996371376356749	0.973235217791893	0.258883099116981	0.777546869189469	0.29292238342422	0.146799287928198	0.344493650452871	0.0501041149765337	0.0489343626310342	0.360716162071883	0.575557147515528	0.524075624486991	0.882700116070902	1.02906339874377	1.08919778665365	0.173959042883901	0.748294696871905	0.707217642669157	1.14507634844565	0.744556982464658	0.431113772348364	0.574386883441577	0.796459584189912	0.126816401266157	0.714081384599446	0.566932580850694	0.376181924371027	0.000847874684782172	0.282621023853163	0.144405502665664	1.05791245270186	1.13901995874773	0.155213623591901	0.658027485561923	0.667951558870449	0.333677682618325	0.477272878708302	0.0138358771131055	0.387416327499318	0.778029362867695	0.848509076774668	0.56062548277515	0.403323896038355	0.395881648250997	0.71267372734376	0.129833268501709	0.137450402010913	7.81949483294198e-06	0.800843683811897	1.06983527036902	0.18368065798173	0.618037463937733	0.723899459824553	0.988776642609116	0.172005840954816	0.502564039687984	0.345960560916908	0.314025823861451	0.499242764823581	0.455694052742741	0.559685183248393	0.205438963238948	0.766023636512233	0.697603381903225	0.0972940671945125	0.982292311593685	0.285757860182435	0.00852990502986708	0.460111266200146	0.159090508604414	0.8925013234101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sp3	0.700125025021379	0.437370906801928	0.600201449264245	0.615988388470501	1.20891914005407e-07	0.91377523119901	0.645153721980427	0.702657258907804	0.358944898673767	0.987085473144258	0.79434499418839	0.232883066584312	0.369306542723474	0.766477135878876	0.486929963776783	0.183685502596102	0.382511206201698	0.48233961380364	0.350121760841981	0.256141245212086	4.94707558053674e-07	0.538546881005898	0.020371538797518	0.0648386523942597	0.18292630433228	0.778450630571342	0.562965552616081	0.314364984059856	0.753133755244017	0.166166638836184	0.320751662555033	0.827963976102575	0.00406475132264287	0.437561242237744	0.0350303047485887	0.108971658700063	1.01682945338841	0.296574143840897	0.683765403072411	0.197522781577813	0.706269532960622	0.785495954766134	1.01809112035097	0.482125297173669	0.514045123345191	0.449310539933638	0.808431977168599	1.00402401985531	0.256844111696647	0.437271311440046	0.0816782691005473	0.2638710431584	0.798119168177577	0.506887774931577	0.668641730592622	0.372577797439422	0.466430307253942	0.433621567309148	0.838366477119065	0.51256416964668	0.311300332551301	0.143646301378747	0.332517700450185	0.354953943651178	0.865662854623755	0.423734328499409	0.703936902710839	2.99258433849291e-06	0.0075790343377446	0.85701299822378	0.765907264372601	0.15245206996928	0.00117273949310435	0.418885665862094	0.556808734722723	0.627871592814656	0.703234211001188	3.69883753655632e-05	0.44011051433958	0.362777455956071	0.962064095620363	0.608690170199574	0.742995978636251	0.000149064063126762	0.343386948893012	0.85574382635968	0.584456372195627	0.594943268248572	0.340968332179125	0.336000668669238	0.871419835133368	0.235760759872956	0.847086126602213	0.219217274313749	0.777229975627877	0.678027950961713	0.0205218496735213	0.899907021716949	0.173994866955804	0.0339527616188426	0.671362743599123	0.886636670708002	0.582595518205198	0.86668418092243	0.0271282652924967	0.180776937497713	0.592714258842241	0.252755022136297	0.532349491815721	0.234403961680817	0.210573426465384	0.230578601015995	0.848886834543312	0.329683105449288	0.0276170961063256	0.675983339948246	0.826537915527296	0.33614151732499	1.66422566031024e-06	0.000298801831029253	0.805322252755553	0.687166006930438	0.20128677016762	0.0890903538061091	0.391100192374311	0.548678520721115	0.84630281673319	0.537199098920731	0.580656595805839	0.440850432165827	0.0567988434225296	0.835685944132325	0.587181300299532	0.0656498530285242	0.091547478853781	0.21754220297948	0.0602971687621792	0.595482643352484	0.00642670257750972	0.823413131958681	0.839614872943273	0.330083659070599	0.647915915487801	0.363999174798742	0.0503184019135248	0.933220295852665	0.425559527066698	0.178155721595283	0.373079610331881	1.00111248549924	5.84971886677073e-07	0.140825694225281	0.789713806693703	0.743957151609422	0.338932001597887	0.602723792054209	0.575282517718692	0.126590989928732	0.583766260368586	0.242581647505435	0.399166946841151	0.245234723598227	0.456333675515422	0.347795933515272	0.0208720047740378	0.834896864950134	0.333262763705525	0.21277184059149	0.918003239076086	0.636145813823275	0.818984964960606	0.131169442533803	0.135067907224987	0.584808609953584	0.137267118807777	0.496222914045088	0.43832364358938	1.03696479702499	0.517772173427022	0.54962745735534	0.551381517552854	0.513050580511511	0.032177399079069	0.181636101001866	0.346472199294592	0.14175692165153	0.424997990050146	0.140592788245137	0.565432617614753	0.404637086042623	0.19595195720958	0.551895015949749	0.80021575386452	0.114433425574222	1.03683722923544e-06	0.471131400182551	0.582833820070024	0.180505762708367	0.380426420340251	0.404436305059571	0.763501830457986	0.0595514378700515	0.673787539820834	0.970576612765472	0.0290597218942185	0.207793113402358	0.0240062303541604	0.729884058226535	0.35182308793559	0.440977948074482	0.841201268720625	0.830132499124062	0.0989826294780609	0.541297824661935	0.0154245575438426	0.936593535915667	0.435286357214517	0.877553672578139	0.000185325254654952	0.468456235913554	0.811185460181707	0.678912556183115	0.0981583511492543	0.702792824204699	0.564938333508445	0.598035616019603	0.60241503254608	0.612214731483071	0.243948384423296	0.449078266994933	0.470172174986972	0.407487282740387	0.950301574659602	0.113171729107214	0.760091414398085	0.00019055501954536	0.0807836661300314	0.697467750969677	0.672509814645269	0.576144887404678	0.0419784139908644	0.672713236069984	0.0573925701062327	0.200771979998088	0.882482754179319	0.114384634898731	0.381678757698943	0.744212039603532	0.997213445056329	0.0687001863586533	0.418635987257099	0.563094199818818	0.0121847490744449	0.00135263465409461	0.251114181707951	0.570367714859838	0.585733151347577	0.055483521329549	0.00946076320731942	0.0874195907717348	0.000159987705051137	0.700732916273964	0.707714672504858	0.510354314611365	0.0115638848894598	0.289157337038743	0.0797524227149243	0.223867131193865	0.567542856806522	0.37203375529119	0.50056926155921	0.486728021727292	0.0112660380534041	0.835101751114158	0.353953422981886	0.6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sp6	2.02648761499934e-05	0.0457047300277786	1.05368214735694	0.458210127096604	0.312233417963695	0.434344866136121	0.297497887324602	0.236629590774339	0.950947196086899	0.835651896038124	0.135128184527775	0.551198584331247	0.000150062188385365	0.575219895690575	0.225573053801924	0.320135170114334	0.74265590280562	0.0693088961239973	0.810492914926344	0.0924509199794462	0.936642118824772	0.176427258530502	0.916141787361884	0.108917255312793	0.112119880055731	0.267208307545087	0.000282415891690369	0.721062803393892	0.523543265740836	0.0362425532819039	0.502271186309868	0.145685914498723	0.504935575528791	0.299893063165896	0.473817612690355	0.460211267685561	0.0631613131656459	0.415596978447033	0.205605249877406	0.00780228292676015	0.927942613250979	0.789412220942211	0.00801905084888895	0.589616920342883	0.257528193546529	0.277753301765161	0.663410316405334	0.451750328668319	0.830476146112751	0.236240019468719	0.383951407347988	0.723755328127506	0.649370697458665	0.703627060566128	0.298845367911904	0.444066552345598	0.990951004281586	0.578086227745369	0.658746919834699	0.534644318296773	0.116993121796431	0.347880329021213	0.633368261176774	0.78088389883864	0.670608939050614	0.856433474807315	0.000398432697829447	0.221142623305451	0.310502240106509	0.00737374012980685	0.158458464374422	0.738944601457316	0.569351559291058	0.0302038482747384	0.912184543742734	0.278605611239532	0.942693142687706	0.418273776819403	0.00245872734219403	0.490420946757033	0.490972538036778	0.191167546572757	0.326780786619625	0.059556213796595	0.616268258513726	0.402078834597709	0.000428742449903503	0.192868193415068	0.452259944120935	0.505794049183682	0.842392972604829	0.539645182015394	0.977102002774579	0.586014904993099	0.756165176418499	0.337293411721112	0.202145447298929	0.791079090496767	1.03457528394096	0.41954125224558	0.292330329852742	0.0523778519612113	0.903135353280927	0.0132650034770131	0.530807451959394	0.787833599787565	0.352940808433585	1.06217225380464	0.730669272729803	0.271235455628928	0.865691863458604	0.536152111589635	0.566784582814216	0.685311004236694	0.896360816837959	0.412933134309836	0.463864483130537	0.121892666300883	0.338447540264856	9.28535936851684e-06	0.869154845564578	0.439330613404384	0.881974490282293	0.268409281631948	0.170855522955453	0.483033150158596	0.248576945051633	0.382668153370267	0.572906893265537	0.350570801638018	0.2022755761893	0.555761945338548	0.859328730359205	0.368244214952917	0.239751456495452	0.763862589484506	0.622846154962971	0.61509380701075	0.000534220964366217	0.688506438634463	0.52813561835824	0.165816199237839	0.0678957667748793	0.758523723233507	0.948835851591074	0.853024532388941	0.327112374642898	0.123511756127876	0.40894720984278	1.60522786467494e-06	0.334182676325616	0.159790881176607	0.651849708875259	8.64692247992529e-05	0.209195578904475	0.72141570203489	0.242942643834281	0.679883839390655	0.645688579380696	0.838123087337033	0.590325578261297	3.09515615842703e-06	0.586330388569803	0.0642187809641056	0.698934997755961	0.157067244597759	0.575192724152652	0.204118796877696	0.240830351768858	0.725931844819607	0.00962161855436114	0.290948144433296	0.587696041033032	0.125405332040946	0.87494033526503	0.544732739754452	0.839027857867726	0.000140333722098938	0.147114659037671	0.690310595705331	0.818012796968876	0.512630891340501	0.0180114904221211	0.979953803755703	0.458324984664425	0.248484081127166	0.65567071800348	0.277077452871877	0.729670322041315	0.0497271781184351	0.666605128762369	0.970105602502433	2.28316495442983e-05	0.520384201002695	0.691034136738648	0.33422509577115	0.20730422664892	0.225624789721786	4.48640456828557e-05	0.000685533314943591	0.455846980143757	0.274923014365435	0.00011531656520783	0.319538213435266	0.00701154688914492	0.244735775565761	1.00157007464394	0.116714486529101	0.00882257368573073	0.146515118542697	0.176989380881862	0.258523976012064	0.153046481773841	0.981904762050439	0.136312735332943	0.823536308417187	0.927255133303142	0.908139635004637	0.105487739840642	0.844770210873468	2.92228669598867e-06	1.54327197592247e-09	0.864409641339664	0.530876820212458	0.238988601255729	1.38760276214163e-07	0.970549339168384	0.058591802339968	0.701571334368876	0.630530166815539	0.876291907774576	0.331788072918643	0.134974112673401	0.562950982990125	1.01285723789885	0.922223017017755	0.228364966148086	0.127036393331432	0.145279464258199	0.402429091876209	0.105882942081159	2.62544270488956e-06	0.760025055084334	0.549796524454108	0.659813186582913	0.0422602760537969	2.52573476016013e-06	0.665677881609871	0.295633766264201	0.333472728878959	0.844037461061713	0.000376240323622451	0.738758823420014	0.704748505079371	0.850819228177438	0.635363076960023	4.51388329257158e-10	0.203043391277027	0.315172065084105	0.13050536662337	0.19003799937027	0.592368367151193	0.504997748199356	0.673766681521905	0.968097455881482	0.436448282512817	0.567932808791826	0.411984386518646	0.431307464730685	0.791065128481377	0.0053970481793805	0.35159888122699	0.262021588104429	0.00047307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