Model name: model_name=MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.6110985279083248 cohesive_energy=4.242432836483997 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.018592704122135675 Energy: 0.3263192604952879 Energy: 0.3263192604952879 Energy: 0.01859270412358431 Energy: 0.3263192604952879 Energy: 0.3263192604952879 Energy: 0.01859270412358431 Energy: 0.3263192604952879 Energy: 0.3263192604952879 Energy: 0.01859270412358431 Energy: 0.3229001619239211 Energy: 0.022650533656370236 Energy: 0.32291270345086603 Energy: 0.3229001619239211 Energy: 0.022650533654921604 Energy: 0.3229127535108825 Energy: 0.3229001619239211 Energy: 0.022650533654921604 Energy: 0.3229127248377361 Energy: 0.3229001619239211 Energy: 0.5796179036393337 Energy: 0.24652520989704638 Energy: 0.2787757661677048 Energy: 0.9735223198245211 Energy: 0.4132581925640478 Energy: 0.019056902226776327 Energy: 0.806565001447728 Energy: 0.19336158762686484 Energy: 0.01905690222532769 Energy: 0.8065625371682471 Energy: 0.3229001619239211 Energy: 0.32291267009780256 Energy: 0.022650533654921604 Energy: 0.3229001619239211 Energy: 0.32291273624791667 Energy: 0.022650533654921604 Energy: 0.3229001619239211 Energy: 0.32291265333583424 Energy: 0.022650533654921604 Energy: 0.3229001619239211 Energy: 0.018592704122135675 Energy: 0.3263192604952879 Energy: 0.3263192604952879 Energy: 0.01859270412358431 Energy: 0.3263192604952879 Energy: 0.3263192604952879 Energy: 0.018592704122135675 Energy: 0.3263192604952879 Energy: 0.3263192604952879 Energy: 0.018592704122135675 Energy: 0.3229001619239211 Energy: 0.022650533654921604 Energy: 0.3229127207587396 Energy: 0.3229001619239211 Energy: 0.022650533654921604 Energy: 0.32291276616922754 Energy: 0.3229001619239211 Energy: 0.022650533656370236 Energy: 0.32291274843854983 Energy: 0.3229001619239211 Energy: 0.8065297535442343 Energy: 0.019056902226776327 Energy: 0.41325819256549645 Energy: 0.8065639924024083 Energy: 0.2599265273707722 Energy: 0.320339359026476 Energy: 0.8065452051890305 Energy: 0.3092058811483509 Energy: 0.2599265273707722 Energy: 0.8065457343869474 minimum gb energy = 0.018592704122135675 eV minimum distance = 2.30636085357161 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -0.9326279526178523 Energy: -0.6211415882602367 Energy: -0.673835347264001 Energy: 0.4828680938181428 Energy: -0.6211415891469543 Energy: -0.6738353454019197 Energy: -0.9326279526284975 Energy: -0.6211415881751392 Energy: -0.6738353457991493 Energy: 0.4828680938181428 Energy: -0.11687048851528176 Energy: 0.5328461326040804 Energy: -0.03569316909382287 Energy: -0.11754448214197899 Energy: 0.5328461326040804 Energy: -0.03569316945911646 Energy: -0.11688772363437626 Energy: 0.5328461326076287 Energy: -0.03569316942369678 Energy: -0.11603798403716188 Energy: 0.7249973919804032 Energy: 0.6703848583347097 Energy: 0.7528888878078964 Energy: 0.17129714775972413 Energy: 0.6703848583347097 Energy: 0.7528888883753855 Energy: 0.7249973919804032 Energy: 0.6703848583382581 Energy: 0.7528888881412543 Energy: 0.1712971478412732 Energy: -0.7374602951470983 Energy: -0.6739549498681631 Energy: 0.4836744136756599 Energy: -0.7374602952428411 Energy: -0.6739549500348742 Energy: 0.4836744136756599 Energy: -0.7374602943100586 Energy: -0.6739549499391314 Energy: 0.4836744136792084 Energy: -0.7374602950087744 Energy: 0.47694323996123783 Energy: -0.04938694852545956 Energy: -0.029775972994258527 Energy: 0.47694323996123783 Energy: -0.04938694890139839 Energy: -0.02977597293038699 Energy: 0.47694323996123783 Energy: -0.04938694877371984 Energy: -0.029775973033226624 Energy: 0.4769432399576895 Energy: -0.19352739827425333 Energy: 0.4748990189992132 Energy: -0.5724395505191796 Energy: -0.1935273948018998 Energy: 0.4748990190027616 Energy: -0.5724395505298246 Energy: -0.19352739403228 Energy: 0.4748990189956647 Energy: -0.5724395505723412 Energy: -0.19352739539422764 Energy: -0.6977171845192355 Energy: 0.4844898606924635 Energy: -0.2599614215710798 Energy: -0.6977171844695575 Energy: 0.4844898606924635 Energy: -0.25996142157462826 Energy: -0.6977171845263324 Energy: 0.4844898606889152 Energy: -0.2599614215852735 Energy: -0.697717184540526 Energy: -0.0376487391664887 Energy: -0.041547530207019456 Energy: 0.5398282791494728 Energy: -0.03764873985455935 Energy: -0.04154753010417983 Energy: 0.5394001716575334 Energy: -0.03764874029436972 Energy: -0.04154753013256718 Energy: 0.5398282791494728 Energy: -0.03764873980133307 Energy: 0.4836478803506564 Energy: -0.696249993106975 Energy: -0.7467450209962689 Energy: 0.48364788035420475 Energy: -0.6962499924330334 Energy: -0.7467450209678818 Energy: 0.48364788035420475 Energy: -0.6962499924507757 Energy: -0.7467450210175595 Energy: 0.48364788035420475 Energy: 0.7710200710923067 Energy: 0.7517046365962115 Energy: 0.8124752844582989 Energy: 0.7710200710958554 Energy: 0.7517046365962115 Energy: 0.8124752844547505 Energy: 0.7710200710887585 Energy: 0.75170463659976 Energy: 0.8124752844547505 Energy: 0.7710200710923067 Energy: -0.002959282170303975 Energy: 0.5331300746724958 Energy: -0.601662444183313 Energy: -0.002959282333466721 Energy: 0.5331300746724958 Energy: -0.6016624441797647 Energy: -0.0029592821774008125 Energy: 0.5331300746760442 Energy: -0.6016624441584743 Energy: -0.002959282393725323 Energy: -0.6999417832161255 Energy: -0.6791235772252292 Energy: 0.48301786861350954 Energy: -0.6999417830707049 Energy: -0.6791235768811617 Energy: 0.48301786861350954 Energy: -0.6999417834892246 Energy: -0.6791235763385116 Energy: 0.483017868617058 Energy: -0.6999417833012876 Energy: -0.145013528600133 Energy: -0.03021032423569956 Energy: 0.7542364723932475 Energy: -0.14501353357637098 Energy: -0.03021032423924798 Energy: 0.7542364723932475 Energy: -0.14501353099067046 Energy: -0.030210324225118823 Energy: 0.7542364723896992 Energy: -0.14501353500573855 Energy: -0.23448796651897458 Energy: 0.7869631131288392 Energy: 0.031218046758401577 Energy: -0.23448211010957332 Energy: 0.7869631131288392 Energy: 0.03121804705988814 Energy: -0.23448363680925624 Energy: 0.7869631131288392 Energy: 0.03121804710246917 Energy: -0.2344834189657001 Energy: -0.7451995775230215 Energy: 0.4830891167974403 Energy: -0.6728158622884407 Energy: -0.7451995775620541 Energy: 0.4830891168009887 Energy: -0.6728158621749558 Energy: -0.7451995776045707 Energy: 0.4830891168009887 Energy: -0.6728158621359233 Energy: -0.7451995775443121 Energy: -0.217970064936551 Energy: 0.7494440808901284 Energy: 0.5323409265839597 Energy: -0.21797006498268046 Energy: 0.7494440808936769 Energy: 0.532796932112689 Energy: -0.21797006502874539 Energy: 0.7494440808901284 Energy: 0.5323409265804113 Energy: -0.21797006469538757 Energy: -0.33903743518601903 Energy: -0.07539425438384609 Energy: -0.8215196068930378 Energy: -0.3390372048114479 Energy: -0.07034542474642452 Energy: -0.8215196029099701 Energy: -0.33903778496862297 Energy: -0.07569662575445998 Energy: -0.8215196037718487 Energy: -0.33903767205484164 Energy: 0.5403640951248967 Energy: -0.682636753336731 Energy: -0.6689931972422547 Energy: 0.483726630519635 Energy: -0.6826367610866066 Energy: -0.6689931971216729 Energy: 0.540364095128445 Energy: -0.6826367532090524 Energy: -0.6689931974550954 Energy: 0.48372663051608655 Energy: -0.038048443529842504 Energy: 0.5393368610324067 Energy: -0.02855852467470881 Energy: -0.03804845735899813 Energy: 0.5393368610324067 Energy: -0.02855852456477235 Energy: -0.038048463984541106 Energy: 0.5393368610324067 Energy: -0.028558524596708112 Energy: -0.03804847097892607 Energy: -0.6985966891583452 Energy: 0.7633977228120326 Energy: 0.48365239430111506 Energy: -0.698596689644285 Energy: 0.7633977228084842 Energy: 0.48365239430466345 Energy: -0.6985966896478334 Energy: 0.7633977228049357 Energy: 0.48365239430111506 Energy: -0.6985966895839619 Energy: -0.19985660626592414 Energy: -0.4930438178848831 Energy: 0.473715161708655 Energy: -0.19979062199481915 Energy: -0.4930438177855918 Energy: 0.473715161708655 Energy: -0.1998284485859795 Energy: -0.4930438176224291 Energy: 0.473715161708655 Energy: -0.19981109734326852 Energy: 0.4767709901639071 Energy: 0.610950444620984 Energy: -0.030551718189561598 Energy: 0.47677099016745556 Energy: 0.6109504446245324 Energy: -0.030551715522376517 Energy: 0.47677099016745556 Energy: 0.610950444620984 Energy: -0.030551716660902804 Energy: 0.47677099017100394 Energy: -0.746580825001876 Energy: 0.48355342654340566 Energy: -0.7388466288348062 Energy: -0.7465808249487144 Energy: 0.48355342654340566 Energy: -0.7388466288383547 Energy: -0.7465808249451658 Energy: 0.48355342654340566 Energy: -0.7388466288348062 Energy: -0.7465808250551024 Energy: 0.8976829600818036 Energy: -1.017509152826635 Energy: 0.7008110539027858 Energy: 0.8976828980439597 Energy: -1.0175091529437326 Energy: 0.700811053906334 Energy: 0.8976831384170717 Energy: -1.0175091532132834 Energy: 0.700811053906334 Energy: 0.8976831442409946 Energy: -0.5600881943155634 Energy: -0.027819047431566064 Energy: 0.5334470551574251 Energy: -0.5600881916660561 Energy: -0.027819047392533457 Energy: 0.5329229974201123 Energy: -0.5600882074318095 Energy: -0.027819047438662897 Energy: 0.5334470551574251 Energy: -0.5600882012247864 Energy: 0.4828680938181428 Energy: -0.6211415863378326 Energy: -0.6738353446322355 Energy: 0.4828680938181428 Energy: -0.6211415914559426 Energy: -0.6738353454657269 Energy: 0.4828680938181428 Energy: -0.6211415858484087 Energy: -0.6738353465936724 Energy: 0.4828680938181428 Energy: -0.11787498454862241 Energy: 0.5328461326040804 Energy: -0.03569316945911646 Energy: -0.11698152295327273 Energy: 0.5328461326040804 Energy: -0.0356931694272452 Energy: -0.1167640977464549 Energy: 0.5328461326040804 Energy: -0.035693169352728406 Energy: -0.1171398283857017 Energy: 0.09230190466004333 Energy: 0.6703848583311612 Energy: 0.7528888875950559 Energy: 0.755168962641448 Energy: 0.6703848583382581 Energy: 0.7528888878078964 Energy: 0.09230190465649492 Energy: 0.6703848583382581 Energy: 0.7528888880384148 Energy: 0.7551689626378995 Energy: -0.7374602953776165 Energy: -0.6739549505279109 Energy: 0.4836744136756599 Energy: -0.7374602960338158 Energy: -0.6739549503328124 Energy: 0.4836744136792084 Energy: -0.7374602958138783 Energy: -0.6739549501661013 Energy: 0.4836744136792084 Energy: -0.7374602949342576 minimum gb energy = -1.0175091532132834 eV minimum distance = 2.37994770967689 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.8065791307686105 Energy: 0.6891708413853772 Energy: 0.6893213015461609 Energy: 0.7167866520550865 Energy: 0.6891708413853772 Energy: 0.6893213015444295 Energy: 0.8065791307703419 Energy: 0.6891708413853772 Energy: 0.6893213015461609 Energy: 0.7167866520550865 Energy: 0.8929096556772502 Energy: 0.8653744221769065 Energy: 0.9138936097551129 Energy: 0.8929096556789817 Energy: 0.8653744221769065 Energy: 0.9138936097551129 Energy: 0.8929096556789817 Energy: 0.8653744221734436 Energy: 0.9138936097568443 Energy: 0.8929096556772502 Energy: 0.8117902516767995 Energy: 0.8294675200517423 Energy: 0.7787101794628408 Energy: 0.8119665434950646 Energy: 0.8294675200500108 Energy: 0.7787101794611092 Energy: 0.811790251675068 Energy: 0.8294675200500108 Energy: 0.7787101794628408 Energy: 0.8119665434967961 Energy: 0.5793144583830722 Energy: 0.583379508999716 Energy: 0.6980820524593793 Energy: 0.683353063756941 Energy: 0.523538873367848 Energy: 0.6980820524593793 Energy: 0.5793144583796093 Energy: 0.5833795089962531 Energy: 0.6980820524559164 Energy: 0.6833530637586726 Energy: 0.8662756603175914 Energy: 0.9682360546406863 Energy: 0.9222574314660268 Energy: 0.7952260707037493 Energy: 0.9682360546424177 Energy: 0.9222574314642953 Energy: 0.86627566031586 Energy: 0.9682360546424177 Energy: 0.9222574314660268 Energy: 0.7952260707072123 Energy: 0.6895709094849353 Energy: 0.7266910165046362 Energy: 0.7982207642536581 Energy: 0.6895709094849353 Energy: 0.7266910165063678 Energy: 0.7982207627825858 Energy: 0.6895709094849353 Energy: 0.7266910165046362 Energy: 0.7982207436620142 Energy: 0.6895709094849353 Energy: 0.689371831755698 Energy: 0.33690127861226554 Energy: 0.6894782071781319 Energy: 0.689371831755698 Energy: 0.7581395446215555 Energy: 0.6894782071781319 Energy: 0.6893718317505036 Energy: 0.33690127859668245 Energy: 0.689478207174669 Energy: 0.689371831755698 Energy: 0.9195277548028131 Energy: 0.9022288045212413 Energy: 0.8658069324948988 Energy: 0.9195277548045446 Energy: 0.9022288045212413 Energy: 0.8658069324931673 Energy: 0.9195277548045446 Energy: 0.9022288045264357 Energy: 0.8658069324948988 Energy: 0.9195277548028131 Energy: 0.6994869265572289 Energy: 0.958177721603257 Energy: 0.9019378280910195 Energy: 0.6994869265589603 Energy: 0.9827482982997224 Energy: 0.901937828092751 Energy: 0.6994869265589603 Energy: 0.9581777216049884 Energy: 0.9019378280910195 Energy: 0.6994869265572289 Energy: 0.6983876773777953 Energy: 0.5978515268126158 Energy: 0.43155483589195626 Energy: 0.6983876773777953 Energy: 0.7866207767373291 Energy: -0.07841001474739587 Energy: 0.6983876773795268 Energy: 0.5978515268195417 Energy: 0.43155483586425303 Energy: 0.6983876773812582 Energy: 0.8927925857975383 Energy: 0.8645185991119795 Energy: 0.9276047851433525 Energy: 0.8927925857992698 Energy: 0.8653349535352433 Energy: 0.9276047851433525 Energy: 0.8927925857992698 Energy: 0.8645185991119795 Energy: 0.9276047851433525 Energy: 0.8927925857975383 Energy: 0.9360025047229974 Energy: 0.6894792792285319 Energy: 0.7673391694346919 Energy: 0.9360025047247289 Energy: 0.6894792792285319 Energy: 0.767339169329105 Energy: 0.9360025047229974 Energy: 0.6894792792268005 Energy: 0.7673391694035259 Energy: 0.9360025047229974 Energy: 0.7101885819387836 Energy: 0.6893797075891188 Energy: 0.435094776464252 Energy: 0.7101885819353206 Energy: 0.6893797075873874 Energy: 0.8013778573120213 Energy: 0.7101885819353206 Energy: 0.6893797075873874 Energy: 0.43509477603850394 Energy: 0.7101885819370523 Energy: 0.819532649104581 Energy: 0.8937822960403001 Energy: 0.9458232016675262 Energy: 0.819532649104581 Energy: 0.8937822960403001 Energy: 0.9458232016675262 Energy: 0.819532649104581 Energy: 0.8937822960368372 Energy: 0.9458232016675262 Energy: 0.8195326491080439 Energy: 0.7288838582477145 Energy: 0.5008919498703881 Energy: 0.5579561787202563 Energy: 0.7288838582460144 Energy: 0.5008919498738511 Energy: 0.7450495751268891 Energy: 0.7288838582494459 Energy: 0.5008919498738511 Energy: 0.5579561787393021 Energy: 0.7288838582477145 Energy: 0.8051677894518245 Energy: 0.709516737038309 Energy: 0.7521432537899494 Energy: 0.8051677894518245 Energy: 0.7095167370365776 Energy: 0.7249398566148729 Energy: 0.8051677894518245 Energy: 0.7095167370365776 Energy: 0.7521432537916808 Energy: 0.8051677894518245 Energy: 0.931853587800435 Energy: 0.8945653543108768 Energy: 0.8658460692314663 Energy: 0.931853587800435 Energy: 0.8945653543108768 Energy: 0.8661406211975603 Energy: 0.931853587800435 Energy: 0.8945653543108768 Energy: 0.8658460692297348 Energy: 0.931853587800435 Energy: 0.5997501475575714 Energy: 0.7675158881606003 Energy: 0.6892904555948621 Energy: 0.8662963146294383 Energy: 0.767515888158869 Energy: 0.6892904555965935 Energy: 0.5997501475593029 Energy: 0.767515888158869 Energy: 0.6892904555965935 Energy: 0.8662963146294383 Energy: 0.5932358243779602 Energy: 0.8980238733755389 Energy: 0.8662977949987489 Energy: 0.4933061237889253 Energy: 0.8980238733772704 Energy: 0.8636436606658426 Energy: 0.5932358243814231 Energy: 0.8980238733755389 Energy: 0.8662977945799267 Energy: 0.4933061237145044 Energy: 0.9398882375639992 Energy: 0.8662323867033354 Energy: 0.8917105844926898 Energy: 0.9398882374532178 Energy: 0.8662323867050669 Energy: 0.8917105844926898 Energy: 0.9398882375657306 Energy: 0.8662323867033354 Energy: 0.8917105844926898 Energy: 0.9398882375086242 Energy: 0.7267549335686228 Energy: 0.7288119349722945 Energy: 0.5209526594253262 Energy: 0.7569494367400486 Energy: 0.7780513535947193 Energy: 0.5209526594235948 Energy: 0.7267549335668912 Energy: 0.7288119349722945 Energy: 0.5209526594218632 Energy: 0.7569494367417801 Energy: 0.7253962917522682 Energy: 0.6471992397384874 Energy: 0.7096718359504314 Energy: 0.7517519649780688 Energy: 0.6471992398319227 Energy: 0.7096718359504314 Energy: 0.7253962917488053 Energy: 0.6471992398388485 Energy: 0.7096718359487 Energy: 0.7517519649780688 Energy: 0.8026098350091576 Energy: 0.9428348900758742 Energy: 0.9451419804286146 Energy: 0.8030310443176335 Energy: 0.9428348900758742 Energy: 0.9451419804251516 Energy: 0.8026098349970375 Energy: 0.9428348900758742 Energy: 0.9451419804268831 Energy: 0.8030310443210964 Energy: 0.5266489124091568 Energy: 0.793365246965933 Energy: 0.6893221683757261 Energy: 0.5266489124056939 Energy: 0.7717864330733598 Energy: 0.6893221683791891 Energy: 0.5266489124074254 Energy: 0.7933652469642015 Energy: 0.6893221683774576 Energy: 0.5266489124108882 Energy: 0.7989498915748855 Energy: 0.7938546597066404 Energy: 0.898374404774129 Energy: 0.7716227162381558 Energy: 0.7896288364715929 Energy: 0.898374404794875 Energy: 0.798949891576617 Energy: 0.7938546597066404 Energy: 0.89837440485025 Energy: 0.7716227172488824 Energy: 0.8911461444816474 Energy: 0.9503615104638242 Energy: 0.8649535884351501 Energy: 0.8911461444816474 Energy: 0.9503615102526817 Energy: 0.8649535884385815 Energy: 0.8911461444816474 Energy: 0.9503615102561446 Energy: 0.8649535884368501 Energy: 0.8911461444781844 Energy: 0.69808463588006 Energy: 0.07324353591109542 Energy: 0.7868180193306153 Energy: 0.6980846358783286 Energy: 0.41579409069673606 Energy: 0.5997261239031957 Energy: 0.6980846358748657 Energy: 0.07324353592494702 Energy: 0.7868180193306153 Energy: 0.6980846358783286 Energy: 0.7978970136674808 Energy: 0.8344882265525482 Energy: 0.9029084584263518 Energy: 0.7978970136588235 Energy: 0.831076873881214 Energy: 0.9029084584315462 Energy: 0.7978970136917211 Energy: 0.8344882265508167 Energy: 0.9029084584263518 Energy: 0.797897013660555 Energy: 0.934889121196382 Energy: 0.8660540261935603 Energy: 0.7919758259995503 Energy: 0.9348891211946505 Energy: 0.8657465464665406 Energy: 0.7919758259960875 Energy: 0.9348891211946505 Energy: 0.8660540261918288 Energy: 0.7919758259978189 Energy: 0.9348891211946505 Energy: 0.6893975928619318 Energy: 0.6893743283151772 Energy: 0.7435522498508903 Energy: 0.6893975928619318 Energy: 0.6893743283151772 Energy: 0.3417861938359362 Energy: 0.6893975928619318 Energy: 0.6893743283169086 Energy: 0.7435522498526218 Energy: 0.6893975928619318 Energy: 0.897764400069778 Energy: 0.9169959663833671 Energy: 0.6334843131516453 Energy: 0.8977644000247917 Energy: 0.9169959663816357 Energy: 0.6334842723075648 Energy: 0.8977644000767038 Energy: 0.9169959663833671 Energy: 0.6334843193301868 Energy: 0.8977644000767038 Energy: 0.8860981396883603 Energy: 0.8515032584770765 Energy: 0.9436398641066829 Energy: 0.8860981396866289 Energy: 0.8515032584736136 Energy: 0.9436398553875046 Energy: 0.8860981396866289 Energy: 0.851503258475345 Energy: 0.9436398559447802 Energy: 0.8860981396866289 Energy: 0.5787700534412983 Energy: 0.6976074808216354 Energy: 0.5465461782114 Energy: 0.6827224375727697 Energy: 0.6976074808233668 Energy: 0.583283128247019 Energy: 0.5787700534395667 Energy: 0.6976074808250983 Energy: 0.5465461782114 Energy: 0.6827224375710383 Energy: 0.9346141300854592 Energy: 0.7987029921603327 Energy: 0.8706997652960476 Energy: 0.9346141297860755 Energy: 0.7987029921465125 Energy: 0.8588100709158059 Energy: 0.9346141293931934 Energy: 0.7987029921517068 Energy: 0.8706997652960476 Energy: 0.9346141304437121 Energy: 0.7915380514270287 Energy: 0.9347978973837907 Energy: 0.8649444521647951 Energy: 0.7915380514270287 Energy: 0.9347978973872537 Energy: 0.8650263457200713 Energy: 0.7915380514270287 Energy: 0.9347978973872537 Energy: 0.8649444521665266 Energy: 0.7915380514235658 Energy: 0.8065791307686105 Energy: 0.6891708413853772 Energy: 0.6893213015444295 Energy: 0.7167866520550865 Energy: 0.6891708413853772 Energy: 0.6893213015444295 Energy: 0.8065791307686105 Energy: 0.6891708413871086 Energy: 0.6893213015461609 Energy: 0.7167866520550865 Energy: 0.8929096556772502 Energy: 0.865374422175175 Energy: 0.9138936097568443 Energy: 0.8929096556789817 Energy: 0.8653744221769065 Energy: 0.9138936097551129 Energy: 0.8929096556789817 Energy: 0.865374422175175 Energy: 0.9138936097568443 Energy: 0.8929096556789817 Energy: 0.8117902516767995 Energy: 0.8294675200517423 Energy: 0.7787101794628408 Energy: 0.8119665434950646 Energy: 0.8294675200482794 Energy: 0.7787101794611092 Energy: 0.8117902516767995 Energy: 0.8294675200500108 Energy: 0.7787101794645407 Energy: 0.8119665434985275 Energy: 0.5793144583830722 Energy: 0.583379508999716 Energy: 0.6980820524576479 Energy: 0.683353063756941 Energy: 0.5235388733643851 Energy: 0.6980820524593793 Energy: 0.5793144583796093 Energy: 0.5833795089962531 Energy: 0.6980820524576479 Energy: 0.6833530637604041 Energy: 0.8662756603175914 Energy: 0.9682360546406863 Energy: 0.9222574314660268 Energy: 0.7952260707054807 Energy: 0.9682360546441492 Energy: 0.9222574314660268 Energy: 0.86627566031586 Energy: 0.9682360546406863 Energy: 0.9222574314660268 Energy: 0.7952260707072123 Energy: 0.6895709094849353 Energy: 0.7266910165063678 Energy: 0.7982207946219559 Energy: 0.6895709094866669 Energy: 0.7266910165098306 Energy: 0.7982207475127615 Energy: 0.6895709094866669 Energy: 0.7266910165063678 Energy: 0.7982207617268728 Energy: 0.6895709094849353 Energy: 0.6893718317574294 Energy: 0.3369012787593759 Energy: 0.6894782071781319 Energy: 0.6893718317539667 Energy: 0.758139544619824 Energy: 0.6894782071764005 Energy: 0.6893718317505036 Energy: 0.33690127870400094 Energy: 0.6894782071729375 Energy: 0.689371831755698 Energy: 0.9195277548028131 Energy: 0.9022288045195099 Energy: 0.8658069324948988 Energy: 0.9195277548045446 Energy: 0.9022288045229729 Energy: 0.8658069324948988 Energy: 0.9195277548045446 Energy: 0.9022288045264357 Energy: 0.8658069324966303 Energy: 0.9195277548045446 Energy: 0.6994869265572289 Energy: 0.958177721603257 Energy: 0.9019378280892881 Energy: 0.6994869265572289 Energy: 0.9827482982997224 Energy: 0.901937828092751 Energy: 0.6994869265589603 Energy: 0.9581777216067198 Energy: 0.9019378280910195 Energy: 0.6994869265572289 Energy: 0.6983876773777953 Energy: 0.5978515268022271 Energy: 0.4315548357777119 Energy: 0.6983876773777953 Energy: 0.7866207767373291 Energy: -0.0784100147318128 Energy: 0.6983876773777953 Energy: 0.5978515268074215 Energy: 0.4315548357483088 Energy: 0.6983876773795268 Energy: 0.8927925857992698 Energy: 0.8645185991119795 Energy: 0.9276047851433525 Energy: 0.8927925857992698 Energy: 0.8653349535352433 Energy: 0.9276047851433525 Energy: 0.8927925857992698 Energy: 0.8645185991119795 Energy: 0.927604785141621 Energy: 0.8927925857992698 Energy: 0.9360025047247289 Energy: 0.6894792792285319 Energy: 0.7673391692806559 Energy: 0.9360025047247289 Energy: 0.6894792792302634 Energy: 0.7673391691300826 Energy: 0.9360025047229974 Energy: 0.6894792792268005 Energy: 0.7673391694156461 Energy: 0.9360025047247289 Energy: 0.7101885819387836 Energy: 0.6893797075891188 Energy: 0.43509477658885354 Energy: 0.7101885819353206 Energy: 0.6893797075873874 Energy: 0.8013778573120213 Energy: 0.7101885819370523 Energy: 0.6893797075873874 Energy: 0.43509477734341984 Energy: 0.7101885819387836 Energy: 0.819532649104581 Energy: 0.8937822960403001 Energy: 0.9458232016692576 Energy: 0.819532649104581 Energy: 0.8937822960403001 Energy: 0.9458232016675262 Energy: 0.819532649104581 Energy: 0.8937822960368372 Energy: 0.9458232016675262 Energy: 0.8195326491080439 Energy: 0.7288838582529088 Energy: 0.5008919498738511 Energy: 0.5579561784485444 Energy: 0.7288838582546403 Energy: 0.5008919498738511 Energy: 0.7450495751251577 Energy: 0.7288838582529088 Energy: 0.5008919498721195 Energy: 0.5579561785385483 Energy: 0.7288838582546403 Energy: 0.8051677894518245 Energy: 0.709516737038309 Energy: 0.7521432537899494 Energy: 0.8051677894518245 Energy: 0.7095167370365776 Energy: 0.7249398566166043 Energy: 0.8051677894518245 Energy: 0.7095167370365776 Energy: 0.7521432537934123 Energy: 0.8051677894500932 Energy: 0.931853587800435 Energy: 0.8945653543108768 Energy: 0.8658460692314663 Energy: 0.9318535877987036 Energy: 0.8945653543108768 Energy: 0.8661406211975603 Energy: 0.931853587800435 Energy: 0.8945653543108768 Energy: 0.8658460692297348 Energy: 0.931853587800435 Energy: 0.5997501475644972 Energy: 0.767515888158869 Energy: 0.6892904555948621 Energy: 0.8662963146294383 Energy: 0.7675158881554058 Energy: 0.6892904555948621 Energy: 0.5997501475644972 Energy: 0.767515888158869 Energy: 0.6892904555965935 Energy: 0.86629631463117 Energy: 0.5932358243796917 Energy: 0.8980238733755389 Energy: 0.8662977960787023 Energy: 0.49330612366432386 Energy: 0.8980238733790018 Energy: 0.8636437514626325 Energy: 0.5932358243796917 Energy: 0.8980238733772704 Energy: 0.8662977945037743 Energy: 0.4933061235829771 Energy: 0.9398882374705323 Energy: 0.8662323867033354 Energy: 0.8917105844926898 Energy: 0.9398882375120554 Energy: 0.8662323867050669 Energy: 0.8917105844926898 Energy: 0.9398882375847449 Energy: 0.8662323867050669 Energy: 0.8917105844926898 Energy: 0.9398882375553418 Energy: 0.7267549335686228 Energy: 0.7288119349722945 Energy: 0.5209526594253262 Energy: 0.7569494367383172 Energy: 0.7780513535981821 Energy: 0.5209526594270576 Energy: 0.7267549335668912 Energy: 0.7288119349722945 Energy: 0.5209526594235948 Energy: 0.7569494367435116 Energy: 0.7253962917522682 Energy: 0.6471992395775255 Energy: 0.7096718359504314 Energy: 0.7517519649780688 Energy: 0.6471992398475058 Energy: 0.7096718359504314 Energy: 0.7253962917505367 Energy: 0.6471992396779181 Energy: 0.7096718359504314 Energy: 0.7517519649763375 Energy: 0.8026098349814544 Energy: 0.9428348900741428 Energy: 0.9451419804268831 Energy: 0.8030310443245593 Energy: 0.9428348900724114 Energy: 0.9451419804251516 Energy: 0.8026098349745286 Energy: 0.9428348900741428 Energy: 0.9451419804286146 Energy: 0.8030310443262907 minimum gb energy = -0.07841001474739587 eV minimum distance = 2.24398880685822 Angstroms sigma value = 105 ======================================== theta = 38.572650822227786 ======================================== Energy: 0.32530047731071154 Energy: 0.7694175453641797 Energy: 0.7702530860738154 Energy: 0.1905958152244678 Energy: 0.7694175453641797 Energy: 0.7702530860757687 Energy: 0.32530047732438494 Energy: 0.7694175453641797 Energy: 0.7702530860757687 Energy: 0.1907293672282266 Energy: 0.8088010048664803 Energy: 0.7445060737446945 Energy: 0.7979895634977747 Energy: 0.8088010048664803 Energy: 0.7445060737446945 Energy: 0.7979895634958213 Energy: 0.8088010048684338 Energy: 0.7445060737446945 Energy: 0.7979895634977747 Energy: 0.8088010048684338 Energy: 0.7751111689364577 Energy: 0.7437601090540563 Energy: 0.701684398630573 Energy: 0.7702279961129507 Energy: 0.7437601090560096 Energy: 0.7203814591372841 Energy: 0.73104472814374 Energy: 0.7437601090560096 Energy: 0.7130874039668781 Energy: 0.6998580109863575 Energy: 0.22195184826940778 Energy: 0.1657574160028994 Energy: 0.7459568951541383 Energy: 0.22195184826940778 Energy: 0.16575741604001287 Energy: 0.7459568951541383 Energy: 0.22195184826940778 Energy: 0.16575741603024619 Energy: 0.7459568951580451 Energy: 0.22195184826940778 Energy: -0.12644898577905359 Energy: 0.8135372920848272 Energy: 0.7855582438725779 Energy: -0.12644898577905359 Energy: 0.8135372920867804 Energy: 0.7855582438725779 Energy: -0.12644898578292477 Energy: 0.8135372920887338 Energy: 0.7855582438706245 Energy: -0.1264489857809714 Energy: 0.7261515403641913 Energy: 0.708045204350691 Energy: 0.7827392039332784 Energy: 0.7296375179668989 Energy: 0.7080452043487376 Energy: 0.7827392039352318 Energy: 0.7261515403641913 Energy: 0.7080452043487376 Energy: 0.7827392039352318 Energy: 0.7296375179688522 Energy: 0.740444327875845 Energy: 0.35474520651988356 Energy: 0.7726978630775256 Energy: 0.7640787698138191 Energy: 0.35474520651793023 Energy: 0.7726978630794789 Energy: 0.701626798119989 Energy: 0.3547452065140236 Energy: 0.764079432986182 Energy: 0.7016267981238956 Energy: 0.848218347131668 Energy: 0.7984550440654906 Energy: 0.7625910117695147 Energy: 0.7443782746168036 Energy: 0.798455044067444 Energy: 0.762591011771468 Energy: 0.848218347131668 Energy: 0.7984550440654906 Energy: 0.7625910117675613 Energy: 0.7443782753489511 Energy: 0.19602441248900931 Energy: 0.8246711489939922 Energy: -0.05229866990954404 Energy: 0.2003327784609394 Energy: 0.8246711489959454 Energy: -0.05229866989001064 Energy: 0.19602441250069383 Energy: 0.8246711489959454 Energy: -0.052298669921264085 Energy: 0.2003327784628927 Energy: 0.7557700088679616 Energy: -0.038864270472030976 Energy: 0.6169649027552886 Energy: 0.7552848752464488 Energy: -0.038864270472030976 Energy: 0.6169649027552886 Energy: 0.7557700088660083 Energy: -0.03886427047593766 Energy: 0.6169649027552886 Energy: 0.7552848752444955 Energy: -0.0010649779920095124 Energy: 0.8230594958346751 Energy: 0.7695384974621537 Energy: -0.0010649449132226067 Energy: 0.21993551156646654 Energy: 0.760291860781748 Energy: -0.0010649989361851907 Energy: 0.823059495832722 Energy: 0.7602918607837014 Energy: -0.0010650028450320892 Energy: 0.8073140669595973 Energy: 0.9557380493053711 Energy: 0.6203787668592038 Energy: 0.8348516988229588 Energy: 0.8981638759084688 Energy: 0.6203787668572505 Energy: 0.8073140669595973 Energy: 0.9557380493034179 Energy: 0.6203787668592038 Energy: 0.8348516988229588 Energy: 0.6174230939149044 Energy: 0.6182681748722734 Energy: 0.7545682675727525 Energy: 0.6174230939168577 Energy: 0.6182681748703555 Energy: 0.7545682675727525 Energy: 0.6174230939149044 Energy: 0.6182681748703555 Energy: 0.7545682675727525 Energy: 0.6174230939149044 Energy: -0.012798424485054666 Energy: 0.8837462836639607 Energy: 0.8189656030612892 Energy: -0.012797627313729347 Energy: 0.8837462836620072 Energy: 0.8189656030632426 Energy: -0.012796707759494274 Energy: 0.8837462836620072 Energy: 0.8189656030612892 Energy: -0.012795878963981247 Energy: -0.015474528038793414 Energy: 0.8079272012370305 Energy: 0.8010461282648537 Energy: -0.015474528038793414 Energy: 0.8079272012350773 Energy: 0.8010461282629003 Energy: -0.015474528040746758 Energy: 0.8079272012370305 Energy: 0.8010461282629003 Energy: -0.015474528040746758 Energy: 0.01226087875977482 Energy: 0.6232323308732476 Energy: 0.1261406052648691 Energy: 0.012260878757821479 Energy: 0.6227591421749795 Energy: 0.12614060530198257 Energy: 0.01226087875196146 Energy: 0.623232330875201 Energy: 0.12614060534687388 Energy: 0.01226087875586814 Energy: 0.7081041639063723 Energy: 0.20374497171760925 Energy: -0.17290616316186228 Energy: 0.708104163904419 Energy: 0.2037649227954733 Energy: -0.1728895030241036 Energy: 0.7081041639063723 Energy: 0.2037638519245651 Energy: -0.1728990956625885 Energy: 0.7081041639063723 Energy: 0.7829129078152035 Energy: 0.06249709414397966 Energy: 0.5428906965943275 Energy: 0.7829129078132502 Energy: 0.062497093833540615 Energy: 0.5428906965923742 Energy: 0.7829129078152035 Energy: 0.06249709371246904 Energy: 0.542890696596281 Energy: 0.7829129078152035 Energy: 0.7447801037147965 Energy: 0.2817885440741472 Energy: 0.1613609583151182 Energy: 0.7447801037147965 Energy: 0.2816637817270001 Energy: 0.16130977449122325 Energy: 0.7447801037147965 Energy: 0.2817885440780539 Energy: 0.1613609583151182 Energy: 0.7447801037147965 Energy: 0.6132071586239267 Energy: 0.30825928134049285 Energy: 0.49326355380229725 Energy: 0.6132071586258802 Energy: 0.30825928133076175 Energy: 0.4932635538042505 Energy: 0.6132071586239267 Energy: 0.3082592812877882 Energy: 0.4932635538042505 Energy: 0.6132071586239267 Energy: 0.8323925119226907 Energy: 0.6414689209930652 Energy: -0.08506867501425333 Energy: 0.832392511924644 Energy: 0.6414689209930652 Energy: -0.08506867501425333 Energy: 0.8323925119226907 Energy: 0.6414689209911117 Energy: -0.08506867501229999 Energy: 0.8323925119226907 Energy: 0.014492246229870458 Energy: 0.010829450220025641 Energy: 0.1997990079862675 Energy: 0.014492246229870458 Energy: 0.010829450221978981 Energy: 0.2477606350067004 Energy: 0.014492246231823795 Energy: 0.010829450220025641 Energy: 0.19979900915972781 Energy: 0.014492246231823795 Energy: 0.6906381820084692 Energy: 0.7890559117558413 Energy: -0.2278992262661758 Energy: 0.6906381820065158 Energy: 0.7890559117558413 Energy: -0.2278992353920393 Energy: 0.6906381820084692 Energy: 0.7890559117558413 Energy: -0.22789923005984664 Energy: 0.6906381820084692 Energy: 0.4552345190248301 Energy: 0.7005295719254558 Energy: 0.8626447174414892 Energy: 0.4552345190248301 Energy: 0.7005295719254558 Energy: 0.862644717439536 Energy: 0.45523451902678336 Energy: 0.7005295719254558 Energy: 0.862644717439536 Energy: 0.45523451903069007 Energy: 0.18377625654522442 Energy: 0.4739608518572266 Energy: 0.16227368613010726 Energy: 0.1837762565432711 Energy: 0.4739608518572266 Energy: 0.16227368612815393 Energy: 0.18377625654522442 Energy: 0.4739608518572266 Energy: 0.16227368613202509 Energy: 0.1837762565432711 Energy: 0.7544892854007849 Energy: 0.6201965794617508 Energy: -0.22585320177834767 Energy: 0.7544892854007849 Energy: 0.620196579463704 Energy: -0.22585320177834767 Energy: 0.7544892854027381 Energy: 0.620196579463704 Energy: -0.22585320179006774 Energy: 0.7544892854066448 Energy: 0.8374037290545134 Energy: 0.8662684813158319 Energy: 0.7287096566098484 Energy: 0.8374037290545134 Energy: 0.8608607862249332 Energy: 0.7251211477948437 Energy: 0.8374037290564668 Energy: 0.8550375343056297 Energy: 0.7287096566118018 Energy: 0.8374037290564668 Energy: 0.8105171581916601 Energy: 0.7009851926093664 Energy: 0.7031370239655974 Energy: 0.8105171581936135 Energy: 0.7009851926015529 Energy: 0.7031370239675507 Energy: 0.8105171581936135 Energy: 0.7009851926152264 Energy: 0.7031370239655974 Energy: 0.8105171581916601 Energy: 0.7571412284810196 Energy: -0.26367009645745937 Energy: 0.8178699233060106 Energy: 0.7571412284751596 Energy: -0.2636700578746214 Energy: 0.8718158546637559 Energy: 0.7571412284712529 Energy: -0.26367010178769873 Energy: 0.8178699234817403 Energy: 0.7571412284790663 Energy: 0.8287222164671845 Energy: 0.23655860503402953 Energy: 0.1384577255728455 Energy: 0.8287222164671845 Energy: 0.23655860492080683 Energy: 0.1922293859325546 Energy: 0.8287222164691023 Energy: 0.2365586049930449 Energy: 0.13845772557675218 Energy: 0.8287222164671845 Energy: 0.6205011518810832 Energy: 0.6174376034348685 Energy: 0.755394727273858 Energy: 0.18094532097142083 Energy: 0.6174376034348685 Energy: 0.7553428959259508 Energy: 0.25838132050956303 Energy: 0.6174376034368219 Energy: 0.7553947272758114 Energy: 0.012708225220501296 Energy: 0.2947170363857605 Energy: 0.7408052560743252 Energy: 0.04798235542137701 Energy: 0.2532399390364987 Energy: 0.7408052560762787 Energy: 0.04798236723191134 Energy: 0.2947170365966147 Energy: 0.7408052560743252 Energy: 0.04798235851216502 Energy: 0.2532394105665138 Energy: 0.9317482325316434 Energy: 0.10771429194860625 Energy: 0.8895521103058702 Energy: 0.8733796744118163 Energy: 0.10771429199548642 Energy: 0.8328124537661219 Energy: 0.9317482325335966 Energy: 0.10771429199743977 Energy: 0.8895521103078234 Energy: 0.8733796744118163 Energy: 0.6181904088060023 Energy: 0.744586950926356 Energy: 0.6181029349385213 Energy: 0.618190408804049 Energy: 0.7445869509283093 Energy: 0.618102934936568 Energy: 0.6181904088060023 Energy: 0.7445869509283093 Energy: 0.6181029349346145 Energy: 0.6181904088060023 Energy: 0.8837472172818902 Energy: 0.8544659142003619 Energy: -0.03751540421851235 Energy: 0.8837472172818902 Energy: 0.8544659142003619 Energy: -0.03756397231434374 Energy: 0.8837472172818902 Energy: 0.8544659142003619 Energy: -0.037544311042063114 Energy: 0.8837472172818902 Energy: 0.7718009556705518 Energy: 1.0199167074336457 Energy: 0.7454538689372617 Energy: 0.7718009556705518 Energy: 1.0199167074336457 Energy: 0.7454538689372617 Energy: 0.7718009556705518 Energy: 1.0199167074316924 Energy: 0.7454538689372617 Energy: 0.7718009556685985 Energy: 0.17477169855758629 Energy: 0.7697260154272584 Energy: 0.7712967242981197 Energy: 0.17380198371601768 Energy: 0.7697260154272584 Energy: 0.771296724300073 Energy: 0.17477170712699644 Energy: 0.7697260154272584 Energy: 0.7712967242981197 Energy: 0.17380198340557862 Energy: 0.08973911543525559 Energy: 0.28905752631035164 Energy: 0.7109200388994208 Energy: 0.08973889981195829 Energy: 0.28905752632789616 Energy: 0.7109200388994208 Energy: 0.08973861564122868 Energy: 0.28905752616974667 Energy: 0.7109200388974676 Energy: 0.08973852200843285 Energy: 0.37765606955962927 Energy: 0.541489418287154 Energy: -0.21384617921599575 Energy: 0.37765606955962927 Energy: 0.5414894182852007 Energy: -0.21384617937219197 Energy: 0.37765606955962927 Energy: 0.5414894182852007 Energy: -0.2138461792804205 Energy: 0.37765606955962927 Energy: 0.28077672631567574 Energy: 0.16367799263700092 Energy: 0.7436520244091033 Energy: 0.2799803650460546 Energy: 0.16807476938422816 Energy: 0.7436520244051965 Energy: 0.2807767263195824 Energy: 0.16367799264676763 Energy: 0.7436520244071498 Energy: 0.2799803650382767 Energy: 0.03476986136231244 Energy: 0.4126093512428892 Energy: 0.6163927301640374 Energy: 0.034769860520777955 Energy: 0.4126093975965408 Energy: 0.6163927301601307 Energy: 0.034769861036246685 Energy: 0.412609345002784 Energy: 0.6163927301601307 Energy: 0.03476986036848845 Energy: 0.641832066245389 Energy: -0.08531254684821006 Energy: 0.8306568839874885 Energy: 0.641832066245389 Energy: -0.08531254684821006 Energy: 0.8306568839855352 Energy: 0.641832066245389 Energy: -0.08531254684821006 Energy: 0.8306568839855352 Energy: 0.6418320662473423 Energy: 0.7755471851435857 Energy: 0.43478074897235014 Energy: 0.7649037703823072 Energy: 0.7660760052756128 Energy: 0.16167556702871 Energy: 0.7649037703842606 Energy: 0.7023268683668554 Energy: 0.4347807489703968 Energy: 0.7649037703842606 Energy: 0.7023268683668554 Energy: 0.7773893674480928 Energy: -0.22779885718927753 Energy: 0.7570282610226523 Energy: 0.7773893674461395 Energy: -0.2277988564043544 Energy: 0.7570282610226523 Energy: 0.7773893674441861 Energy: -0.22779885529926105 Energy: 0.7570282610226523 Energy: 0.7773893674441861 Energy: 0.6986816725871694 Energy: 0.9448049304045677 Energy: 0.2593643402307604 Energy: 0.6986816724856311 Energy: 0.9448049304045677 Energy: 0.25936434025029376 Energy: 0.6986816725578693 Energy: 0.9448049304045677 Energy: 0.2593643405002148 Energy: 0.6986816725676359 Energy: 0.473738749665721 Energy: 0.7067617136215659 Energy: 0.18424989986119916 Energy: 0.4737387496676744 Energy: 0.7067617136215659 Energy: 0.1842498998631525 Energy: 0.4737387496676744 Energy: 0.7067617136196125 Energy: 0.18424989986119916 Energy: 0.4737387496676744 Energy: 0.6201167625275968 Energy: -0.051656007629318386 Energy: 0.7529322887438884 Energy: 0.6201167625275968 Energy: -0.15257764003996704 Energy: 0.7529322887438884 Energy: 0.6201167625275968 Energy: -0.051655961818446755 Energy: 0.7529322887438884 Energy: 0.6201167625275968 Energy: 0.8879663174239022 Energy: 0.7266246592713176 Energy: 0.8376677318203137 Energy: 0.8879663174239022 Energy: 0.7288441592102541 Energy: 0.8376677318203137 Energy: 0.8879663174239022 Energy: 0.7266246592693641 Energy: 0.8376677318183604 Energy: 0.8879663174239022 Energy: 0.7023685441958962 Energy: 0.7029450184112378 Energy: 0.8160101436646677 Energy: 0.7023685441919895 Energy: 0.7029450184092846 Energy: 0.8160101436666211 Energy: 0.7023685441880827 Energy: 0.7029450184112378 Energy: 0.8160101436627144 Energy: 0.7023685441861295 Energy: -0.2645890727600287 Energy: 0.8582127481905031 Energy: 0.7582974990113144 Energy: -0.2645888738010676 Energy: 0.8301617231440939 Energy: 0.7582974990113144 Energy: -0.26458860123584266 Energy: 0.8582127481885496 Energy: 0.7582974990132677 Energy: -0.2645889629880966 Energy: 0.23638769949027522 Energy: 0.41645921750025316 Energy: 0.23424061627619183 Energy: 0.23638769951566857 Energy: 0.39770694000379464 Energy: 0.23424048508172876 Energy: 0.23638769950394858 Energy: 0.41645921749829984 Energy: 0.23424055010103795 Energy: 0.2363876995195753 Energy: 0.12281875288420155 Energy: 0.757274854955413 Energy: 0.01300159894977311 Energy: 0.12281875288420155 Energy: 0.7555535970203984 Energy: 0.01300159897125985 Energy: 0.12281875288615487 Energy: 0.7572748549573664 Energy: 0.013001598994664418 Energy: 0.12281875288420155 minimum gb energy = -0.2645890727600287 eV minimum distance = 2.32836220152138 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 0.932131821126781 Energy: 0.8968161139349315 Energy: 0.8936929486911811 Energy: 0.9321318211274513 Energy: 0.8968160741157144 Energy: 0.89326941497948 Energy: 0.932131821126781 Energy: 0.8968160607185831 Energy: 0.8932693801089591 Energy: 0.9321318211274513 Energy: 0.8983390023973477 Energy: 0.9081827444492739 Energy: 0.9269686893494994 Energy: 0.8983390023993594 Energy: 0.9081827444492739 Energy: 0.9269626792370206 Energy: 0.8983390023973477 Energy: 0.9081827444492739 Energy: 0.926967749988454 Energy: 0.8983390023993594 Energy: 0.8779283805329647 Energy: 0.8783914761615095 Energy: 0.852492089882013 Energy: 0.8779283805336353 Energy: 0.8783914761896743 Energy: 0.8524920898833541 Energy: 0.8779283805329647 Energy: 0.8783914761863213 Energy: 0.8524920898826837 Energy: 0.8779283805336353 Energy: 0.9202472631302849 Energy: 0.8763828499350476 Energy: 0.9078105270984211 Energy: 0.920247263131626 Energy: 0.876382849934377 Energy: 0.9078105271011034 Energy: 0.9202472631302849 Energy: 0.8763828499350476 Energy: 0.9078105270984211 Energy: 0.920247263131626 Energy: 0.887799709633589 Energy: 0.8945077155135123 Energy: 0.8840404214666743 Energy: 0.887799709659681 Energy: 0.894507715514183 Energy: 0.8840378053648597 Energy: 0.8877997096616927 Energy: 0.8945077155128418 Energy: 0.8840377025007888 Energy: 0.887799709633589 Energy: 0.907946478013531 Energy: 0.9378536297760366 Energy: 0.8809253474361696 Energy: 0.90794647801219 Energy: 0.9378535442208203 Energy: 0.8809253474354989 Energy: 0.907946478013531 Energy: 0.9378518767943982 Energy: 0.8809253474361696 Energy: 0.9079464780128603 Energy: 0.8939813647056931 Energy: 0.8884277517703602 Energy: 0.8826358966397405 Energy: 0.8939815557786803 Energy: 0.8884277517723719 Energy: 0.882635896640411 Energy: 0.8939815331221903 Energy: 0.8884277517710308 Energy: 0.8826358966397405 Energy: 0.8939825735221488 Energy: 0.9651176794397011 Energy: 0.8950922250672331 Energy: 0.8953344804604118 Energy: 0.9651176794410422 Energy: 0.8950922250679036 Energy: 0.8953344804604118 Energy: 0.9651176794403716 Energy: 0.8950922250672331 Energy: 0.8953344804604118 Energy: 0.9651176794417129 Energy: 0.8943010013925873 Energy: 0.8827954529462194 Energy: 0.8885277657192898 Energy: 0.8943055311063998 Energy: 0.8827954529448783 Energy: 0.8885277657186191 Energy: 0.8942965063106272 Energy: 0.8827954529462194 Energy: 0.8885277657186191 Energy: 0.8942702853979289 Energy: 0.9079744738672506 Energy: 0.8814775511757892 Energy: 0.9379606499539591 Energy: 0.9079744738679213 Energy: 0.8814775511771304 Energy: 0.937958476428776 Energy: 0.9079744738672506 Energy: 0.8814775511764598 Energy: 0.9379616515588103 Energy: 0.9079744738679213 Energy: 0.8894697309763047 Energy: 0.891122929929262 Energy: 0.8945283487729637 Energy: 0.8894697309756341 Energy: 0.8911229299279209 Energy: 0.8945283487735733 Energy: 0.8894697309742928 Energy: 0.8911229299272502 Energy: 0.8945283487735733 Energy: 0.8894697309722812 Energy: 0.9201277658708432 Energy: 0.9079657689829739 Energy: 0.8762629587130766 Energy: 0.9201277658708432 Energy: 0.9079657689816328 Energy: 0.8762629587124059 Energy: 0.9201277658708432 Energy: 0.9079657689823033 Energy: 0.8762629587130766 Energy: 0.9201277658701725 Energy: 0.8777514962460895 Energy: 0.8524864838359364 Energy: 0.8784736260732456 Energy: 0.8777514962460895 Energy: 0.8524864838366071 Energy: 0.8784736227653565 Energy: 0.8777514962467602 Energy: 0.8524864838359364 Energy: 0.8784736279520506 Energy: 0.8777514962467602 Energy: 0.897295777802596 Energy: 0.9273733315480495 Energy: 0.9081144161056073 Energy: 0.8972957778032666 Energy: 0.9273680496370158 Energy: 0.9081144161076191 Energy: 0.8972957778032666 Energy: 0.9273724312012716 Energy: 0.9081144161056073 Energy: 0.8972957778032666 Energy: 0.932131821126781 Energy: 0.8968160941104572 Energy: 0.8932564696813319 Energy: 0.9321318211287927 Energy: 0.8968161898654405 Energy: 0.893244924620479 Energy: 0.932131821126781 Energy: 0.8968160382330322 Energy: 0.8932572590789409 Energy: 0.9321318211287927 minimum gb energy = 0.8524864838359364 eV minimum distance = 2.36115104052364 Angstroms sigma value = 41 ======================================== theta = 52.20027756457278 ======================================== Energy: 0.7882159875951797 Energy: 0.7744390754722069 Energy: 0.7244612034234018 Energy: 0.721623075063457 Energy: 0.7744390754722069 Energy: 0.7244612034208 Energy: 0.7882159875951797 Energy: 0.7744390754748087 Energy: 0.7244612034234018 Energy: 0.7216230750582534 Energy: 0.7542699577959815 Energy: 0.6628424216749298 Energy: 0.7935581426669452 Energy: 0.7542699577985832 Energy: 0.6628424216723279 Energy: 0.7935581426669452 Energy: 0.7542699577959815 Energy: 0.6628424216723279 Energy: 0.7935581426643434 Energy: 0.7542699577959815 Energy: 0.725841343734298 Energy: 0.6611115186591173 Energy: 0.7493957007229127 Energy: 0.7211655659214723 Energy: 0.661111518661719 Energy: 0.7273580156040061 Energy: 0.7258413437395017 Energy: 0.6611115186591173 Energy: 0.7273694053315702 Energy: 0.7400050694949645 Energy: 0.7510853936134234 Energy: 0.7530979521745326 Energy: 0.7159240221987134 Energy: 0.7510853936134234 Energy: 0.7530979521745326 Energy: 0.7387017625538478 Energy: 0.7510853936134234 Energy: 0.7530979521745326 Energy: 0.7159240222013151 Energy: 0.7510853936134234 Energy: 0.722100493568943 Energy: 0.8085813968068187 Energy: 0.7166657458759066 Energy: 0.7221004935663411 Energy: 0.8085813968042169 Energy: 0.7165719705248376 Energy: 0.7221004935663411 Energy: 0.8085813968068187 Energy: 0.7166657458785084 Energy: 0.7221004935715448 Energy: 0.7208957769782515 Energy: 0.7102259184070848 Energy: 0.7573432489219343 Energy: 0.7208957769756497 Energy: 0.7102259184096866 Energy: 0.7573432489219343 Energy: 0.7208957769782515 Energy: 0.7102259184070848 Energy: 0.7573432489219343 Energy: 0.7208957769782515 Energy: 0.7319094450224307 Energy: 0.6611218533956073 Energy: 0.7828221157411819 Energy: 0.7319094450224307 Energy: 0.6611218533956073 Energy: 0.7828221157411819 Energy: 0.7319094450224307 Energy: 0.6611218533982091 Energy: 0.7828221157437837 Energy: 0.7319094450224307 Energy: 0.7798922887811213 Energy: 0.8065822560057284 Energy: 0.7520577548358772 Energy: 0.7798922887811213 Energy: 0.8069082737597206 Energy: 0.7520577548358772 Energy: 0.7798922887811213 Energy: 0.8065822560057284 Energy: 0.752057754838479 Energy: 0.7798922887811213 Energy: 0.7583871098957381 Energy: 0.7742522237720012 Energy: 0.7943264617363243 Energy: 0.7583871098957381 Energy: 0.7742522237720012 Energy: 0.6879172350858918 Energy: 0.7583871098931362 Energy: 0.774252223774603 Energy: 0.7943264617389261 Energy: 0.7583871098957381 Energy: 0.6715328693510475 Energy: 0.7766286001876802 Energy: 0.8201480562780521 Energy: 0.6715328693510475 Energy: 0.8515096684589327 Energy: 0.7244723699067469 Energy: 0.6715328693536493 Energy: 0.7766286001876802 Energy: 0.8201480562806539 Energy: 0.6715328693536493 Energy: 0.6624315750860725 Energy: 0.7437457906166137 Energy: 0.7445676375954572 Energy: 0.6624315750860725 Energy: 0.7430665299325196 Energy: 0.7440060667548313 Energy: 0.6624315750860725 Energy: 0.7437457906192156 Energy: 0.7445676375954572 Energy: 0.6624315750860725 Energy: 0.6712274458040567 Energy: 0.7587353090325206 Energy: 0.7759661390105397 Energy: 0.6712274458040567 Energy: 0.7323119688427223 Energy: 0.7759661390105397 Energy: 0.6712274458040567 Energy: 0.7587353090299188 Energy: 0.7759661390079379 Energy: 0.6712274458014549 Energy: 0.784554889920908 Energy: 0.718783312357028 Energy: 0.7980020027766089 Energy: 0.7845548899235099 Energy: 0.718813205668882 Energy: 0.7980020027766089 Energy: 0.784554889920908 Energy: 0.718783312354426 Energy: 0.7980020027740071 Energy: 0.7845548899235099 Energy: 0.7744239356279863 Energy: 0.775869197264894 Energy: 0.7138631020196778 Energy: 0.7744239356331899 Energy: 0.7758691972674958 Energy: 0.7138631020170759 Energy: 0.7744239356331899 Energy: 0.775869197264894 Energy: 0.7138631020170759 Energy: 0.7744239356305881 Energy: 0.6621772904767137 Energy: 0.782043047154156 Energy: 0.7346155777821451 Energy: 0.6621772904793155 Energy: 0.7820430471515541 Energy: 0.7346155777821451 Energy: 0.6621772904793155 Energy: 0.7820430471515541 Energy: 0.7346155777821451 Energy: 0.6621772904793155 Energy: 0.6668999042424589 Energy: 0.728164096565473 Energy: 0.7350910226492052 Energy: 0.666899904239857 Energy: 0.7281640965602693 Energy: 0.7350910226492052 Energy: 0.666899904239857 Energy: 0.7281640965602693 Energy: 0.7350910226492052 Energy: 0.666899904239857 Energy: 0.688156726991264 Energy: 0.7219489002689211 Energy: 0.7414336179463907 Energy: 0.688156726991264 Energy: 0.8832735352483698 Energy: 0.7414336179489927 Energy: 0.688156726991264 Energy: 0.7219489002715229 Energy: 0.7414336179489927 Energy: 0.688156726991264 Energy: 0.9120795368060486 Energy: 0.6889072324814518 Energy: 0.6875477932427702 Energy: 0.7279589371862877 Energy: 0.7937109083107455 Energy: 0.6875477932427702 Energy: 0.9120795368086503 Energy: 0.68890723247885 Energy: 0.6875477932427702 Energy: 0.7279589371914913 Energy: 0.7190397668530438 Energy: 0.7834051265554426 Energy: 0.661165820180028 Energy: 0.7486767952837735 Energy: 0.7568952824593179 Energy: 0.6611658201826298 Energy: 0.6835571679321876 Energy: 0.7568952824567161 Energy: 0.6611658201826298 Energy: 0.6835571679295859 Energy: 0.7203788666460074 Energy: 0.8215156581930477 Energy: 0.6626559647971725 Energy: 0.7206511948223331 Energy: 0.8215156581930477 Energy: 0.6626559647971725 Energy: 0.7203788666486092 Energy: 0.8215156581930477 Energy: 0.6626559647997743 Energy: 0.7206511948197313 Energy: 0.8635962516935043 Energy: 0.774015391273339 Energy: 0.6913896294975924 Energy: 0.8636325567819543 Energy: 0.774015391273339 Energy: 0.6913896294975924 Energy: 0.8635962516909025 Energy: 0.7740153912759408 Energy: 0.6913896294949905 Energy: 0.8636325567819543 Energy: 0.7686389046196604 Energy: 0.7170812784382957 Energy: 0.7573551544849956 Energy: 0.7686389046196604 Energy: 0.7170812784382957 Energy: 0.7573551544875974 Energy: 0.7686389046196604 Energy: 0.7170812784382957 Energy: 0.7573551544875974 Energy: 0.7686389046196604 Energy: 0.6752642320916526 Energy: 0.8697550879205255 Energy: 0.6896236676929961 Energy: 0.7097892534384543 Energy: 0.8697550879205255 Energy: 0.6729200063625689 Energy: 0.6850362643572412 Energy: 0.8697550879205255 Energy: 0.6729200063599671 Energy: 0.6651011372716072 Energy: 0.7445451323993243 Energy: 0.7468201336454614 Energy: 0.663079781502825 Energy: 0.7445451324019261 Energy: 0.7468201336480632 Energy: 0.6630797815054268 Energy: 0.7445451324019261 Energy: 0.7468201336480632 Energy: 0.6630797815054268 Energy: 0.7445451323993243 Energy: 0.771567852668699 Energy: 0.9048425101246877 Energy: 0.6705706387370541 Energy: 0.771567852668699 Energy: 0.9048425101246877 Energy: 0.6705706387344523 Energy: 0.771567852668699 Energy: 0.9048425101246877 Energy: 0.6705706387344523 Energy: 0.7715678526739027 Energy: 0.7944981846697055 Energy: 0.76056559857864 Energy: 0.7581406825658382 Energy: 0.6878179990601994 Energy: 0.7605655985812418 Energy: 0.7581406825632364 Energy: 0.7944981846723073 Energy: 0.7605655985812418 Energy: 0.7581406825658382 Energy: 0.6878179990601994 Energy: 0.7514425429916111 Energy: 0.6610312169018998 Energy: 0.7487032926046371 Energy: 0.7514425429864076 Energy: 0.6610312168992979 Energy: 0.7487032926046371 Energy: 0.7514425429864076 Energy: 0.6610312168992979 Energy: 0.7487032926046371 Energy: 0.7514425429864076 Energy: 0.7428455923908193 Energy: 0.6670283269359873 Energy: 0.7192638617826005 Energy: 0.7428455923908193 Energy: 0.6670283269359873 Energy: 0.7193652660532921 Energy: 0.7428455923908193 Energy: 0.6670283269359873 Energy: 0.7192638617826005 Energy: 0.7428455923882175 Energy: 0.7864777550307215 Energy: 0.7381553078884344 Energy: 0.7189856353660126 Energy: 0.7864777550333234 Energy: 0.7381553078884344 Energy: 0.7190715987569525 Energy: 0.7864777550307215 Energy: 0.7381553078884344 Energy: 0.7189856353712163 Energy: 0.7864777550307215 Energy: 0.736966390340912 Energy: 0.8683433236937258 Energy: 0.7218257091986142 Energy: 0.736966390340912 Energy: 0.868343323691124 Energy: 0.721825709201216 Energy: 0.7369663903383102 Energy: 0.8683433236937258 Energy: 0.721825709201216 Energy: 0.736966390340912 Energy: 0.7158717815046766 Energy: 0.6918886436326137 Energy: 0.7427156041192193 Energy: 0.7158717815072784 Energy: 0.6918886436326137 Energy: 0.7427156041192193 Energy: 0.7158717815020748 Energy: 0.6918886436326137 Energy: 0.7427156041192193 Energy: 0.7158717815020748 Energy: 0.7256114909851225 Energy: 0.7633548166455174 Energy: 0.7083462521293138 Energy: 0.7256114909877243 Energy: 0.7633548166429156 Energy: 0.7083462521293138 Energy: 0.7256114909877243 Energy: 0.7633548166403138 Energy: 0.708346252126712 Energy: 0.7256114909851225 Energy: 0.7820493938515876 Energy: 0.6647463739277419 Energy: 0.7447161281134405 Energy: 0.7820493938489858 Energy: 0.6647463739251401 Energy: 0.7447161281134405 Energy: 0.7820493938489858 Energy: 0.6647463739277419 Energy: 0.7447161281160423 Energy: 0.7820493938515876 Energy: 0.7732798005964545 Energy: 0.7217627067039424 Energy: 0.7952952992241912 Energy: 0.7732798005964545 Energy: 0.7217627067013405 Energy: 0.7230973427800341 Energy: 0.7732798005964545 Energy: 0.7217627067039424 Energy: 0.7952952992241912 Energy: 0.7732798005938527 Energy: 0.6625237678841838 Energy: 0.7834871204455771 Energy: 0.8149307242736755 Energy: 0.662523767881582 Energy: 0.8362672850076224 Energy: 0.7463900433200301 Energy: 0.6625237678841838 Energy: 0.7834871204455771 Energy: 0.8149307242762774 Energy: 0.6625237678841838 Energy: 0.6666233109671419 Energy: 0.7564644630849697 Energy: 0.7390271139739728 Energy: 0.6666233109645401 Energy: 0.7571931827819761 Energy: 0.7413396362032297 Energy: 0.6666233109645401 Energy: 0.7564644630875715 Energy: 0.7390271139713709 Energy: 0.6666233109671419 Energy: 0.687762434855966 Energy: 0.737363699905555 Energy: 0.7683421941306865 Energy: 0.687762434855966 Energy: 0.7396046051881922 Energy: 0.7683421941280847 Energy: 0.687762434855966 Energy: 0.737363699905555 Energy: 0.7683421941280847 Energy: 0.6877624348585679 Energy: 0.786797290070018 Energy: 0.7158599422431651 Energy: 0.8045621716856343 Energy: 0.786797290070018 Energy: 0.715904903870336 Energy: 0.8045621716856343 Energy: 0.7867972900726198 Energy: 0.7158599422431651 Energy: 0.8045621716856343 Energy: 0.786797290070018 Energy: 0.7576643081048311 Energy: 0.7567813099770673 Energy: 0.7228727689402017 Energy: 0.7515263028901779 Energy: 0.7567813099744655 Energy: 0.7228727689402017 Energy: 0.6944528359924403 Energy: 0.7567813099770673 Energy: 0.7228727689402017 Energy: 0.6944528359924403 minimum gb energy = 0.6610312168992979 eV minimum distance = 2.36909408621913 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 0.9525387075608623 Energy: 0.33483385818656425 Energy: 0.3343489304300131 Energy: 0.5148849437687592 Energy: 0.3348338581871819 Energy: 0.33434893042844077 Energy: 0.9525387075614801 Energy: 0.33483385818656425 Energy: 0.33434893042939534 Energy: 0.5148849437684783 Energy: 0.6684826696692763 Energy: 0.33325257064664526 Energy: 0.4471850643286319 Energy: 0.6146535286411317 Energy: 0.33325257064664526 Energy: 0.4692049379077381 Energy: 0.6684826696677041 Energy: 0.33325257064877917 Energy: 0.44718506432829497 Energy: 0.6146535286426479 Energy: 0.4282613041763733 Energy: 0.3343064006035908 Energy: 0.44145017826540195 Energy: 0.4370018144747177 Energy: 0.3343064006045455 Energy: 0.44742232418673555 Energy: 0.4282613041757556 Energy: 0.3343064006048262 Energy: 0.4414501782647843 Energy: 0.43700181446854075 Energy: 0.746577334264942 Energy: 0.33499312099685724 Energy: 0.592078409823504 Energy: 0.7465773342624713 Energy: 0.3349931209946672 Energy: 0.6580810080645736 Energy: 0.746577334264942 Energy: 0.3349931209931511 Energy: 0.59207840981918 Energy: 0.746577334265279 Energy: 0.35230075094986774 Energy: 0.33126350059741994 Energy: 0.44520707014930927 Energy: 0.35230075094891306 Energy: 0.33126350059989074 Energy: 0.397650809421643 Energy: 0.3523007509504854 Energy: 0.3312635005996099 Energy: 0.44520707015178 Energy: 0.3523007509504854 Energy: 0.5069115607218745 Energy: 0.4174079293663036 Energy: 0.627629718135868 Energy: 0.5069115622064332 Energy: 0.37547482763737655 Energy: 0.5710573755654248 Energy: 0.5069115628211012 Energy: 0.41740792934502097 Energy: 0.6276297181371034 Energy: 0.5069115617254691 Energy: 0.34764529534560296 Energy: 0.611459128563027 Energy: 0.6103710471343453 Energy: 0.3476452953444237 Energy: 0.608326630479962 Energy: 0.6103710471340084 Energy: 0.3476452953459399 Energy: 0.6114591285621285 Energy: 0.610371047132773 Energy: 0.34764529534498523 Energy: 0.6276150884593025 Energy: 0.4326746464798071 Energy: 0.3320835952659285 Energy: 0.6276150884553156 Energy: 0.44543805376039314 Energy: 0.332083595266827 Energy: 0.6276150884540801 Energy: 0.43267464648227794 Energy: 0.3320835952649739 Energy: 0.6276150884531254 Energy: 0.4455276219406992 Energy: 0.5747519572985208 Energy: 0.33009461597525713 Energy: 0.46105404393093563 Energy: 0.5963238030757292 Energy: 0.3300946159764926 Energy: 0.44552762194036233 Energy: 0.5747519572948145 Energy: 0.3300946159764926 Energy: 0.4610540439318903 Energy: 0.4236031887470884 Energy: 0.44689851152393206 Energy: 0.33351659086711155 Energy: 0.4889356720345938 Energy: 0.44727597056209384 Energy: 0.33351659086711155 Energy: 0.42360318874894154 Energy: 0.4468985115236513 Energy: 0.3335165908674485 Energy: 0.48893567203397614 Energy: 0.6382309533597939 Energy: 0.5995027148616701 Energy: 0.3341016694934344 Energy: 0.6160293414306824 Energy: 0.5995027148638601 Energy: 0.33410166949219905 Energy: 0.63823095335182 Energy: 0.5995027148644778 Energy: 0.3341016694909636 Energy: 0.6160293414300647 Energy: 0.7709371766215171 Energy: 0.33483385818656425 Energy: 0.3343489304302938 Energy: 0.5189848548236092 Energy: 0.33483385818656425 Energy: 0.33434893042939534 Energy: 0.7709371766230332 Energy: 0.33483385818532885 Energy: 0.33434893042877767 Energy: 0.5189848548227107 Energy: 0.6684826696692763 Energy: 0.33325257064630837 Energy: 0.5607405322268564 Energy: 0.6404431502462893 Energy: 0.33325257064664526 Energy: 0.4692049379093104 Energy: 0.6684826696677041 Energy: 0.33325257064788066 Energy: 0.5607405322250032 Energy: 0.6404431502466261 Energy: 0.42826130417665403 Energy: 0.33430640060392774 Energy: 0.4478624751934642 Energy: 0.44526464451275727 Energy: 0.3343064006057808 Energy: 0.44742232418701633 Energy: 0.4282613041745202 Energy: 0.3343064006051631 Energy: 0.44786247519037575 Energy: 0.44526464451618275 Energy: 0.746577334264942 Energy: 0.33499312099562184 Energy: 0.5920784098232232 Energy: 0.7465773342637065 Energy: 0.3349931209952849 Energy: 0.658081008063619 Energy: 0.7465773342634259 Energy: 0.3349931209946672 Energy: 0.59207840981918 Energy: 0.7465773342634259 Energy: 0.3523007509507662 Energy: 0.3312635005977569 Energy: 0.44520707014992694 Energy: 0.3523007509507662 Energy: 0.33126350060022763 Energy: 0.43315784427463666 Energy: 0.3523007509495308 Energy: 0.3312635005989923 Energy: 0.4452070701508254 Energy: 0.35230075094925 Energy: 0.5069115612704486 Energy: 0.43945785818626854 Energy: 0.6276297181361488 Energy: 0.506911562733107 Energy: 0.4865439405929763 Energy: 0.5710573755657617 Energy: 0.5069115623784346 Energy: 0.4394578581915471 Energy: 0.6276297181364857 Energy: 0.5069115621632504 Energy: 0.3476452953459399 Energy: 0.611459128563027 Energy: 0.6103710471331099 Energy: 0.3476452953453221 Energy: 0.6128069501144272 Energy: 0.6103710471352438 Energy: 0.347645295343806 Energy: 0.6114591285624094 Energy: 0.610371047132773 Energy: 0.3476452953459399 Energy: 0.6276150884553156 Energy: 0.39743125430451637 Energy: 0.33208359526531084 Energy: 0.6276150884534624 Energy: 0.445236560198497 Energy: 0.33208359526531084 Energy: 0.6276150884543609 Energy: 0.397431254302944 Energy: 0.3320835952646931 Energy: 0.6276150884522269 Energy: 0.4289872283530635 Energy: 0.6516114076984321 Energy: 0.33009461597711026 Energy: 0.4316512641921092 Energy: 0.6459127883954332 Energy: 0.3300946159768295 Energy: 0.4289872283524459 Energy: 0.6516114076996675 Energy: 0.33009461597711026 Energy: 0.43165126418963845 Energy: 0.4237881050817942 Energy: 0.4469439554339506 Energy: 0.3335165908689647 Energy: 0.4405008391415349 Energy: 0.4444599725858196 Energy: 0.3335165908689647 Energy: 0.42378810508454584 Energy: 0.4469439554354668 Energy: 0.33351659086587615 Energy: 0.44050083914338795 Energy: 0.7003039445558076 Energy: 0.5995027148626246 Energy: 0.3341016694934344 Energy: 0.649524192661251 Energy: 0.5995027148616701 Energy: 0.3341016694931536 Energy: 0.7003039449132877 Energy: 0.5995027148616701 Energy: 0.33410166949219905 Energy: 0.6495241926615318 Energy: 0.9525387075605816 Energy: 0.3348338581859465 Energy: 0.3343489304300131 Energy: 0.5148849437687592 Energy: 0.33483385818656425 Energy: 0.33434893042967617 Energy: 0.9525387075611994 Energy: 0.3348338581856096 Energy: 0.33434893042939534 Energy: 0.5148849437684783 Energy: 0.6684826696689394 Energy: 0.33325257064664526 Energy: 0.4471850643301481 Energy: 0.6146535286438833 Energy: 0.33325257064754377 Energy: 0.46920493790745726 Energy: 0.6684826696689394 Energy: 0.3332525706484984 Energy: 0.4471850643267788 Energy: 0.6146535286429848 Energy: 0.42826130417603636 Energy: 0.33430640060392774 Energy: 0.4414501782651212 Energy: 0.437001814500605 Energy: 0.3343064006048262 Energy: 0.44742232418701633 Energy: 0.42826130417603636 Energy: 0.33430640060392774 Energy: 0.44145017826573885 Energy: 0.4370018144978534 Energy: 0.7465773342640435 Energy: 0.3349931209962395 Energy: 0.5920784098219879 Energy: 0.7465773342634259 Energy: 0.33499312099438644 Energy: 0.6580810080633381 Energy: 0.7465773342643244 Energy: 0.33499312099343187 Energy: 0.5920784098201347 Energy: 0.746577334264942 Energy: 0.35230075094891306 Energy: 0.33126350059803755 Energy: 0.4452070701483546 Energy: 0.3523007509501485 Energy: 0.33126350059927306 Energy: 0.3976508094213622 Energy: 0.3523007509495308 Energy: 0.33126350059927306 Energy: 0.4452070701514431 Energy: 0.3523007509501485 Energy: 0.5069115630458318 Energy: 0.4174079293234014 Energy: 0.6276297181367665 Energy: 0.506911561884162 Energy: 0.37547482762440487 Energy: 0.5710573755648071 Energy: 0.5069115623438435 Energy: 0.41740792931907755 Energy: 0.627629718135531 Energy: 0.5069115611265806 Energy: 0.34764529534498523 Energy: 0.6114591285624094 Energy: 0.6103710471340084 Energy: 0.3476452953440868 Energy: 0.6083266304790635 Energy: 0.6103710471331099 Energy: 0.3476452953444237 Energy: 0.6114591285621285 Energy: 0.6103710471333907 Energy: 0.34764529534346905 Energy: 0.6276150884565509 Energy: 0.43267464648042486 Energy: 0.33208359526435616 Energy: 0.6276150884555963 Energy: 0.44543805376011236 Energy: 0.33208359526654624 Energy: 0.6276150884555963 Energy: 0.43267464648199716 Energy: 0.33208359526531084 Energy: 0.6276150884540801 Energy: 0.44552762194098 Energy: 0.5747519572979031 Energy: 0.33009461597587486 Energy: 0.4610540439306548 Energy: 0.5963238030763469 Energy: 0.3300946159764926 Energy: 0.4455276219400815 Energy: 0.57475195729605 Energy: 0.33009461597587486 Energy: 0.46105404393093563 Energy: 0.4236031887492223 Energy: 0.4468985115236513 Energy: 0.3335165908689647 Energy: 0.48893567203240373 Energy: 0.44727597056243074 Energy: 0.3335165908677293 Energy: 0.42360318874894154 Energy: 0.4468985115236513 Energy: 0.33351659086587615 Energy: 0.4889356720345938 Energy: 0.6382309534292572 Energy: 0.5995027148644778 Energy: 0.3341016694925359 Energy: 0.6160293414288293 Energy: 0.5995027148657133 Energy: 0.3341016694931536 Energy: 0.6382309535024265 Energy: 0.5995027148620069 Energy: 0.3341016694925359 Energy: 0.6160293414306824 minimum gb energy = 0.33009461597525713 eV minimum distance = 2.34939858794011 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 0.6044330652229501 Energy: 0.6402045333925851 Energy: 0.6399887255607402 Energy: 0.5922203065180021 Energy: 0.6402045333942805 Energy: 0.6399887255607402 Energy: 0.6044330652229501 Energy: 0.6402045333942805 Energy: 0.6399887255624357 Energy: 0.5922203065180021 Energy: 0.6297918496787268 Energy: 0.6394232552149488 Energy: 0.6300217477019919 Energy: 0.6297918496787268 Energy: 0.6394232552149488 Energy: 0.6300217477002964 Energy: 0.6297918496770313 Energy: 0.6394232552149488 Energy: 0.6300217477019919 Energy: 0.6297918496787268 Energy: 0.4685267086678205 Energy: 0.6274060399553198 Energy: 0.5073158474980247 Energy: 0.4926990845470612 Energy: 0.6274060399553198 Energy: 0.6084363321580614 Energy: 0.48181646327410904 Energy: 0.6274060399570152 Energy: 0.6084363321580614 Energy: 0.48181646327580446 Energy: 0.731472631067417 Energy: 0.6380073548084096 Energy: 0.6590622825926006 Energy: 0.731472631067417 Energy: 0.6380073548101051 Energy: 0.659062282590905 Energy: 0.7314726310691125 Energy: 0.6380073548084096 Energy: 0.6590622825892096 Energy: 0.7314726310691125 Energy: 0.6231432096603747 Energy: 0.6255314652105957 Energy: 0.6118490461511732 Energy: 0.6231432096637657 Energy: 0.6255314652156821 Energy: 0.6118490461511732 Energy: 0.6231432096637657 Energy: 0.6255314652139867 Energy: 0.6118490461477821 Energy: 0.6231432096620704 Energy: 0.684097246970564 Energy: 0.6514945095678245 Energy: 0.645035447593182 Energy: 0.6840972469688684 Energy: 0.6514945095695202 Energy: 0.6450354475948776 Energy: 0.6840972469688684 Energy: 0.6514945095661291 Energy: 0.6450354475914866 Energy: 0.684097246970564 Energy: 0.6374307778073909 Energy: 0.6364767495333841 Energy: 0.6271531138119599 Energy: 0.6372988505696366 Energy: 0.6364767495333841 Energy: 0.6271531138102644 Energy: 0.6374307778056956 Energy: 0.6364767495350796 Energy: 0.6271531138119599 Energy: 0.6372988505713322 Energy: 0.4806225881318988 Energy: 0.6364928556852605 Energy: 0.5512802619754807 Energy: 0.4806225881318988 Energy: 0.636492855683565 Energy: 0.5512802619754807 Energy: 0.48062258813020337 Energy: 0.636492855683565 Energy: 0.5512802619754807 Energy: 0.4806225881318988 Energy: 0.6434734913490279 Energy: 0.49554228630180197 Energy: 0.2863073378425247 Energy: 0.6434734913490279 Energy: 0.4955422863001065 Energy: 0.2863073382696058 Energy: 0.6434734913473324 Energy: 0.49554228630180197 Energy: 0.2863073379594834 Energy: 0.6434734913490279 Energy: 0.6379526741270573 Energy: 0.6393217699671296 Energy: 0.652310412767258 Energy: 0.6379526741287527 Energy: 0.6393217699654342 Energy: 0.6523104101675322 Energy: 0.6379526741287527 Energy: 0.6393217699654342 Energy: 0.6523104108776385 Energy: 0.6379526741287527 Energy: 0.6344543886989036 Energy: 0.6349740624851374 Energy: 0.6487727387493993 Energy: 0.6344543887022946 Energy: 0.634974062483442 Energy: 0.6487740766456247 Energy: 0.6344543886989036 Energy: 0.6349740624817465 Energy: 0.6487727387510949 Energy: 0.6344543886989036 Energy: 0.6390470903678288 Energy: 0.6458512487450292 Energy: 0.7629146801462855 Energy: 0.6390470903678288 Energy: 0.647575683124699 Energy: 0.7616207544316251 Energy: 0.6390470903695243 Energy: 0.6458512487450292 Energy: 0.762914680147981 Energy: 0.6390470903661333 Energy: 0.6275573387444957 Energy: 0.4666005360357168 Energy: 0.4672429282112682 Energy: 0.6275573387461912 Energy: 0.4665302558835995 Energy: 0.4670663846086073 Energy: 0.6275573387478868 Energy: 0.46660053604080337 Energy: 0.46724292821805025 Energy: 0.6275573387428003 Energy: 0.6393320787675633 Energy: 0.6899624357584577 Energy: 0.6495863721888799 Energy: 0.6393320787692588 Energy: 0.6899624357584577 Energy: 0.6495863721871844 Energy: 0.6393320787692588 Energy: 0.6899624357567624 Energy: 0.6495863721871844 Energy: 0.6393320787675633 Energy: 0.6404169095187707 Energy: 0.5766070083018795 Energy: 0.6418017385502762 Energy: 0.6404169095187707 Energy: 0.5766070083018795 Energy: 0.6418017385502762 Energy: 0.6404169095170752 Energy: 0.5766070083035749 Energy: 0.6418017385485807 Energy: 0.6404169095187707 Energy: 0.6335285875586855 Energy: 0.6181130616011384 Energy: 0.6389407251782181 Energy: 0.6335285875586855 Energy: 0.6181130615994428 Energy: 0.638940725181609 Energy: 0.6335285875586855 Energy: 0.6181130615994428 Energy: 0.6389407251833047 Energy: 0.63352858755699 Energy: 0.6364699299380414 Energy: 0.26885001536262393 Energy: 0.6267258878150405 Energy: 0.6364699299397371 Energy: 0.26885001705229766 Energy: 0.6267258878150405 Energy: 0.6364699299380414 Energy: 0.2688500148152241 Energy: 0.6267258878116495 Energy: 0.6364699299397371 Energy: 0.4402366961704238 Energy: 0.7445776057476329 Energy: 0.6316352952267785 Energy: 0.4402366961687283 Energy: 0.7445776057493284 Energy: 0.6316352952284741 Energy: 0.44023669618734795 Energy: 0.7445776057476329 Energy: 0.6316352952284741 Energy: 0.44023669616364175 Energy: 0.5209751818876474 Energy: 0.6248006814184582 Energy: 0.6291507969005655 Energy: 0.5209751818876474 Energy: 0.6248006814167627 Energy: 0.6291507969005655 Energy: 0.5209751818876474 Energy: 0.6248006814184582 Energy: 0.62915079689887 Energy: 0.5209751818910384 Energy: 0.7501785609831354 Energy: 0.7071942094175218 Energy: 0.6518598451830172 Energy: 0.7501785609831354 Energy: 0.7071942094141307 Energy: 0.6518598451796263 Energy: 0.7501785609848309 Energy: 0.7071942094141307 Energy: 0.6518598451796263 Energy: 0.7501785609848309 Energy: 0.6145932502956012 Energy: 0.6368667323099733 Energy: 0.6369083525221009 Energy: 0.6145932502939057 Energy: 0.636869018517294 Energy: 0.6369083525221009 Energy: 0.6145932502939057 Energy: 0.6368667323082778 Energy: 0.6369083525237965 Energy: 0.6145932502956012 Energy: 0.6000470819990382 Energy: 0.6352433658666033 Energy: 0.6366676329883698 Energy: 0.6000470820007338 Energy: 0.6352433658666033 Energy: 0.6366676329883698 Energy: 0.6000470820007338 Energy: 0.6352433658666033 Energy: 0.6366676329900653 Energy: 0.6000470819990382 Energy: 0.610013770445544 Energy: 0.6017848575192868 Energy: 0.4943997295710375 Energy: 0.6100137704472394 Energy: 0.6038473092781391 Energy: 0.4943997295710375 Energy: 0.610013770445544 Energy: 0.6092359851790538 Energy: 0.49439972956764655 Energy: 0.610013770445544 Energy: 0.6899784284770335 Energy: 0.6337772236795363 Energy: 0.639484017754319 Energy: 0.6899784284770335 Energy: 0.6337772236778407 Energy: 0.639484017754319 Energy: 0.6899784284770335 Energy: 0.6337772236778407 Energy: 0.6394840177560146 Energy: 0.6899784284787289 Energy: 0.6518408066837285 Energy: 0.6350706026873844 Energy: 0.639669545962956 Energy: 0.6519768836847973 Energy: 0.6350706026873844 Energy: 0.6396695459646515 Energy: 0.651840806685424 Energy: 0.6350706026839934 Energy: 0.6396695459612605 Energy: 0.6519768836814064 Energy: 0.6211768384281158 Energy: 0.6395841315515968 Energy: 0.6364763731552441 Energy: 0.6211768384264204 Energy: 0.6395841315515968 Energy: 0.6364763731552441 Energy: 0.6211768384264204 Energy: 0.6395841315499011 Energy: 0.6364763731552441 Energy: 0.6211768384281158 Energy: 0.48501565845543865 Energy: 0.6275088362782795 Energy: 0.49336579910375883 Energy: 0.4595488383168271 Energy: 0.6275088362782795 Energy: 0.5312053907348032 Energy: 0.4828051091118398 Energy: 0.6275088362782795 Energy: 0.6085978790384108 Energy: 0.4829118648356288 Energy: 0.6520932277263678 Energy: 0.6377577169376 Energy: 0.6350396002429366 Energy: 0.6520932277263678 Energy: 0.6377577169376 Energy: 0.635039600244632 Energy: 0.6520932277246723 Energy: 0.6377577169359046 Energy: 0.635039600244632 Energy: 0.6520932277246723 Energy: 0.6234712056556392 Energy: 0.6269100788783737 Energy: 0.6647511326500075 Energy: 0.6234712056539436 Energy: 0.6269100788783737 Energy: 0.6647511326517032 Energy: 0.6234712056539436 Energy: 0.6269100788732872 Energy: 0.6647511326550941 Energy: 0.6234712056556392 Energy: 0.6353646444104794 Energy: 0.6486799349646609 Energy: 0.6441829195459974 Energy: 0.6353646444104794 Energy: 0.6486799349663565 Energy: 0.6441829195443017 Energy: 0.6353646444121747 Energy: 0.6486799349646609 Energy: 0.6441829195459974 Energy: 0.6353646444070883 Energy: 0.6385585344927105 Energy: 0.6373373683570451 Energy: 0.4348280264494345 Energy: 0.6385585344961014 Energy: 0.6373373683570451 Energy: 0.434828026447739 Energy: 0.638558534494406 Energy: 0.6373373683570451 Energy: 0.4348280264494345 Energy: 0.6385585344961014 Energy: 0.619144387054709 Energy: 0.6135561208121979 Energy: 0.6780050673704122 Energy: 0.6191443870564046 Energy: 0.6135561208105025 Energy: 0.6780050673670212 Energy: 0.6191443870564046 Energy: 0.6135561208088068 Energy: 0.6780050673670212 Energy: 0.6191443870564046 Energy: 0.6252339329607519 Energy: 0.523659738569025 Energy: 0.4926928154025035 Energy: 0.6252339329624474 Energy: 0.523659738569025 Energy: 0.49269281498559536 Energy: 0.6252339329624474 Energy: 0.523659738569025 Energy: 0.49269281537368 Energy: 0.6252339329607519 Energy: 0.6381381644413912 Energy: 0.7546744158362297 Energy: 0.6834869296692679 Energy: 0.6381381644413912 Energy: 0.7546744158362297 Energy: 0.6834869296692679 Energy: 0.6381381644396955 Energy: 0.7546744158379252 Energy: 0.6834869296692679 Energy: 0.6381381644396955 Energy: 0.6366266255483068 Energy: 0.6307812607656136 Energy: 0.6476559503193671 Energy: 0.6366266255483068 Energy: 0.6307812607656136 Energy: 0.6478579989503813 Energy: 0.6366266255500024 Energy: 0.6307812607656136 Energy: 0.6476559503176715 Energy: 0.6366266255483068 Energy: 0.6376307084432178 Energy: 0.599448321163957 Energy: 0.643256506312007 Energy: 0.6376307084432178 Energy: 0.599448321163957 Energy: 0.643256506312007 Energy: 0.6376307084432178 Energy: 0.5994483211656524 Energy: 0.6432565063103114 Energy: 0.6376307084415224 Energy: 0.6240948499654901 Energy: 0.6021083066698696 Energy: 0.6076740796163558 Energy: 0.6240948499620991 Energy: 0.6021083066715649 Energy: 0.6076740796129647 Energy: 0.6240948499637946 Energy: 0.6021083066715649 Energy: 0.6076740796146602 Energy: 0.6240948499620991 Energy: 0.6393549086271327 Energy: 0.6965276320258749 Energy: 0.6453455254472684 Energy: 0.6393549086254371 Energy: 0.696387239279619 Energy: 0.6453455254489641 Energy: 0.6393549086237417 Energy: 0.6965276320275705 Energy: 0.6453455254456039 Energy: 0.6393549086271327 Energy: 0.6398507495410607 Energy: 0.6484123274902389 Energy: 0.6396891387263632 Energy: 0.6398507495393652 Energy: 0.6486918241291423 Energy: 0.6396891387246677 Energy: 0.6398507495410607 Energy: 0.6484123274885435 Energy: 0.6396891387246677 Energy: 0.6398507495410607 Energy: 0.6401107600769513 Energy: 0.6189995398227772 Energy: 0.6386194956073218 Energy: 0.6401107600769513 Energy: 0.6189995398227772 Energy: 0.6386194956073218 Energy: 0.6401107600769513 Energy: 0.6189995398244725 Energy: 0.6386194956056264 Energy: 0.6401107600752559 Energy: 0.6094556657529007 Energy: 0.6680033082106938 Energy: 0.6268762593927254 Energy: 0.6087944562862235 Energy: 0.668834667298425 Energy: 0.6268762593910298 Energy: 0.6094556657545962 Energy: 0.6680033082140848 Energy: 0.6268762593910298 Energy: 0.6087944562862235 Energy: 0.6697076616514266 Energy: 0.6313571657798752 Energy: 0.6315565367318405 Energy: 0.6715929745418378 Energy: 0.6313571657781798 Energy: 0.6315565367352316 Energy: 0.669707661653122 Energy: 0.6313571657798752 Energy: 0.6315565367352316 Energy: 0.6715929745384469 Energy: 0.6657598390847131 Energy: 0.6388833800490676 Energy: 0.6293445008433027 Energy: 0.6646141801306241 Energy: 0.6388833800507633 Energy: 0.6293445008416072 Energy: 0.6657598390864087 Energy: 0.6388833800473722 Energy: 0.6293445008433027 Energy: 0.6646141801323197 Energy: 0.6446430377630645 Energy: 0.6924771134407833 Energy: 0.6493323415647192 Energy: 0.6446430377630645 Energy: 0.6924771134390879 Energy: 0.6493323415647192 Energy: 0.6446430377630645 Energy: 0.6924771134424788 Energy: 0.6493323415630237 Energy: 0.6446430377630645 Energy: 0.6113206531438737 Energy: 0.6379322422775625 Energy: 0.656364357494919 Energy: 0.6113206531438737 Energy: 0.6379322422792579 Energy: 0.6563643574932234 Energy: 0.6113206531455693 Energy: 0.6379322422809536 Energy: 0.6563643574932234 Energy: 0.6113206531455693 Energy: 0.6079304122121035 Energy: 0.5475942222159769 Energy: 0.6070358700537851 Energy: 0.6079304122121035 Energy: 0.5475942222142812 Energy: 0.6070358700554807 Energy: 0.6079304122087125 Energy: 0.5475942222142812 Energy: 0.6070358700554807 Energy: 0.6079304122104081 Energy: 0.6797439586524252 Energy: 0.6249488233155613 Energy: 0.524798706753716 Energy: 0.6797439586524252 Energy: 0.6250361855603653 Energy: 0.5247987067503249 Energy: 0.6797439586524252 Energy: 0.61912832700052 Energy: 0.5247987067520204 Energy: 0.6797439586541207 Energy: 0.690485588139035 Energy: 0.634242512689254 Energy: 0.6418838333829406 Energy: 0.6904855881373396 Energy: 0.634242512689254 Energy: 0.6418838333829406 Energy: 0.690485588139035 Energy: 0.634242512689254 Energy: 0.6418838333812451 Energy: 0.6904855881407306 Energy: 0.6469369101583399 Energy: 0.6368255683667772 Energy: 0.639207365070645 Energy: 0.6468136467908184 Energy: 0.6368255683684726 Energy: 0.6392073650689496 Energy: 0.6469369101600353 Energy: 0.6368255683684726 Energy: 0.6392073650689496 Energy: 0.646813646792514 Energy: 0.6364626206539816 Energy: 0.6375536307088052 Energy: 0.6132540449937177 Energy: 0.6364626206539816 Energy: 0.6375536307071098 Energy: 0.6132540449954132 Energy: 0.636462620655677 Energy: 0.6375536307088052 Energy: 0.6132540449937177 Energy: 0.6364626206539816 Energy: 0.6325557004457554 Energy: 0.6258713972603513 Energy: 0.6467456881939613 Energy: 0.6325557004457554 Energy: 0.6258713972620468 Energy: 0.626950214618265 Energy: 0.63255570044406 Energy: 0.6258713972603513 Energy: 0.6260558550281872 Energy: 0.6325557004457554 Energy: 0.6550661136167643 Energy: 0.6376338311097415 Energy: 0.6495432515741213 Energy: 0.6550661136167643 Energy: 0.6376338311097415 Energy: 0.663068423842658 Energy: 0.6550661136167643 Energy: 0.6376338311097415 Energy: 0.6495432515741213 Energy: 0.6550661136167643 Energy: 0.6266777918081871 Energy: 0.6333375051152192 Energy: 0.5226955031969361 Energy: 0.6266777918031007 Energy: 0.6333375051135236 Energy: 0.5290515809488014 Energy: 0.6266777918047961 Energy: 0.6333375051152192 Energy: 0.5226955031952407 Energy: 0.6266777918047961 Energy: 0.6354051263935864 Energy: 0.6547290572680723 Energy: 0.6394646919912945 Energy: 0.6354051263935864 Energy: 0.6547290572680723 Energy: 0.6394646919912945 Energy: 0.6354051263935864 Energy: 0.6547290572663768 Energy: 0.6394646919895991 Energy: 0.6354051263935864 Energy: 0.6387928312533013 Energy: 0.6186473501610246 Energy: 0.6691844994703657 Energy: 0.6387928312516059 Energy: 0.6190290475445808 Energy: 0.6692157992397082 Energy: 0.6387928312516059 Energy: 0.6186473501610246 Energy: 0.6691844994669747 Energy: 0.6387928312549969 Energy: 0.618408720934564 Energy: 0.6707963198470708 Energy: 0.619383077907387 Energy: 0.618408720934564 Energy: 0.6707963198487663 Energy: 0.6193830779090825 Energy: 0.6184087209328686 Energy: 0.6707963198521573 Energy: 0.619383077907387 Energy: 0.6184087209362595 Energy: 0.6254817553521502 Energy: 0.6657650773789204 Energy: 0.6067656144630842 Energy: 0.6254817553555413 Energy: 0.6657650773772249 Energy: 0.6067656144630842 Energy: 0.6254817553521502 Energy: 0.6657650773772249 Energy: 0.6067656144630842 Energy: 0.6254817553487593 Energy: 0.639364317882536 Energy: 0.6467991393708044 Energy: 0.6621725278008436 Energy: 0.6393643178842315 Energy: 0.6467991393691089 Energy: 0.6621725278008436 Energy: 0.639364317882536 Energy: 0.6467991393691089 Energy: 0.6621725277974525 Energy: 0.6393643178808405 Energy: 0.6401412528180125 Energy: 0.6504704413372446 Energy: 0.642258192362809 Energy: 0.6401412528180125 Energy: 0.6504704413372446 Energy: 0.642258192362809 Energy: 0.6401412528163171 Energy: 0.650470441335549 Energy: 0.6422581923645044 Energy: 0.6401412528163171 Energy: 0.6111348352166637 Energy: 0.6093595750771982 Energy: 0.6585261490352327 Energy: 0.6111348352183593 Energy: 0.6093595750755026 Energy: 0.6585261490284506 Energy: 0.6111348352200546 Energy: 0.6093595750721116 Energy: 0.6585261490267552 Energy: 0.6111348352183593 minimum gb energy = 0.2688500148152241 eV minimum distance = 2.34736842823716 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 1.0234366692980792 Energy: 0.9417670238784082 Energy: 0.9416484930593679 Energy: 1.0234366692980792 Energy: 0.9417670238784082 Energy: 0.9416484930582457 Energy: 1.0234366692980792 Energy: 0.9417670238784082 Energy: 0.9416484930593679 Energy: 1.0234366692980792 Energy: 1.0721424379734465 Energy: 0.9121842261501983 Energy: 0.939680373079169 Energy: 1.072142437974543 Energy: 0.9121842261490761 Energy: 0.939680373079169 Energy: 1.0721424379734465 Energy: 0.9121842261501983 Energy: 0.939680373079169 Energy: 1.072142437974543 Energy: 0.9671466897224196 Energy: 1.0189039643179163 Energy: 0.9596292522318461 Energy: 1.0006378851504605 Energy: 1.0189039643190383 Energy: 0.9284740686184962 Energy: 1.0209331856545412 Energy: 1.0189039643179163 Energy: 0.9284740686184962 Energy: 1.0209331856545412 Energy: 0.9196478889289299 Energy: 0.912589455140034 Energy: 0.9811330855861081 Energy: 0.9196478889289299 Energy: 0.912589455140034 Energy: 0.9811330855861081 Energy: 0.9196478889289299 Energy: 0.912589455140034 Energy: 0.9811330855861081 Energy: 0.9196478889289299 Energy: 0.9418058892606007 Energy: 0.9193129425187547 Energy: 0.9307571125882532 Energy: 0.9418058892594785 Energy: 0.9193129425187547 Energy: 0.9307571125882532 Energy: 0.9418058892606007 Energy: 0.9193129425187547 Energy: 0.9307571125882532 Energy: 0.9418058892594785 Energy: 0.9109725173833801 Energy: 0.9395340113130425 Energy: 1.0177147857766684 Energy: 0.910972517382258 Energy: 0.9395340113130425 Energy: 1.0177147857766684 Energy: 0.9109725173833801 Energy: 0.9395340113130425 Energy: 1.0177147857766684 Energy: 0.910972517382258 Energy: 1.0175958435049874 Energy: 0.9481435305951389 Energy: 1.0003337064603142 Energy: 1.0175958435049874 Energy: 0.948143530596261 Energy: 1.0206820211201766 Energy: 1.0175958435049874 Energy: 0.948143530596261 Energy: 1.0206820211201766 Energy: 1.0175958435049874 Energy: 1.01018671735298 Energy: 1.042093554355496 Energy: 0.9203576472377614 Energy: 1.0101867173541021 Energy: 1.0420935543566183 Energy: 0.9203576472377614 Energy: 1.01018671735298 Energy: 1.042093554355496 Energy: 0.9203576472366394 Energy: 1.0101867173541021 Energy: 0.9306896038285766 Energy: 0.9295643520062641 Energy: 0.9401006849465865 Energy: 0.9306896038285766 Energy: 0.9295643520062641 Energy: 0.9401006849465865 Energy: 0.9306896038285766 Energy: 0.929564352005142 Energy: 0.9401006849465865 Energy: 0.9306896038285766 minimum gb energy = 0.910972517382258 eV minimum distance = 2.2962936688769 Angstroms sigma value = 15 ======================================== theta = 88.83061719438597 ======================================== Energy: 1.2040751513257033 Energy: 1.1064810369195996 Energy: 1.1064106582134705 Energy: 1.2040751513257033 Energy: 1.1064810369195996 Energy: 1.1064106582134705 Energy: 1.2040751513257033 Energy: 1.1064810369217069 Energy: 1.1064106582134705 Energy: 1.2040751513257033 Energy: 1.1185509911188996 Energy: 1.0764480993903855 Energy: 1.2006389151768166 Energy: 1.1185509911188996 Energy: 1.0764480993882783 Energy: 1.2006389151747094 Energy: 1.1185509911188996 Energy: 1.0764480993882783 Energy: 1.2006389151768166 Energy: 1.1185509911188996 Energy: 1.0185287535409484 Energy: 1.1228628622288594 Energy: 1.0883392973096309 Energy: 1.0166726689576193 Energy: 1.1228628622288594 Energy: 1.0814383170346982 Energy: 1.0192500048318383 Energy: 1.1228628622288594 Energy: 1.0784837219170746 Energy: 1.0192500048298063 Energy: 1.0518220437328891 Energy: 1.0806191355520527 Energy: 1.1630013677624464 Energy: 1.051822043730782 Energy: 1.0806191355520527 Energy: 1.1630013677644784 Energy: 1.0518220437328891 Energy: 1.0806191355520527 Energy: 1.1630013677624464 Energy: 1.051822043730782 Energy: 1.133363923319148 Energy: 1.018094287781307 Energy: 1.0749421548962552 Energy: 1.133363923319148 Energy: 1.018094287781307 Energy: 1.0749421548962552 Energy: 1.133363923319148 Energy: 1.018094287781307 Energy: 1.0749421548962552 Energy: 1.133363923319148 Energy: 1.1036637741485655 Energy: 1.172815869898886 Energy: 1.0501777196084925 Energy: 1.1036637741485655 Energy: 1.172815869900993 Energy: 1.0501777196084925 Energy: 1.1036637741485655 Energy: 1.172815869898886 Energy: 1.0501777196084925 Energy: 1.1036637741485655 Energy: 1.069475968135135 Energy: 1.1226614441451088 Energy: 1.1070045091554013 Energy: 1.063754797789465 Energy: 1.1155096306355736 Energy: 1.1070045091575085 Energy: 1.0573794137126549 Energy: 1.103135338392245 Energy: 1.1070045091554013 Energy: 1.0573794137126549 Energy: 1.1116663223261851 Energy: 1.0858975399602222 Energy: 1.0837564204085577 Energy: 1.1116663223220462 Energy: 1.0858975399602222 Energy: 1.0837564204064505 Energy: 1.1116663223241534 Energy: 1.0858975399602222 Energy: 1.0837564204085577 Energy: 1.1116663223241534 Energy: 1.0624008582142581 Energy: 1.096898113127311 Energy: 1.1081251461911261 Energy: 1.0624008582142581 Energy: 1.0968981131293427 Energy: 1.1081251461911261 Energy: 1.0624008582142581 Energy: 1.096898113127311 Energy: 1.1081251461911261 Energy: 1.062400858212226 Energy: 1.1072154148445834 Energy: 1.1003838684868916 Energy: 1.137614119261874 Energy: 1.107215414848722 Energy: 1.1003838684868916 Energy: 1.137614119263981 Energy: 1.1072154148445834 Energy: 1.1003838684868916 Energy: 1.137614119261874 Energy: 1.107215414848722 Energy: 1.1170601912105365 Energy: 1.1027841988808686 Energy: 1.072105238011037 Energy: 1.1124133017845534 Energy: 1.1027841988767297 Energy: 1.0721052380089298 Energy: 1.1124133017824462 Energy: 1.1027841988808686 Energy: 1.0721052380089298 Energy: 1.1124133017845534 Energy: 1.1141512519440069 Energy: 1.1215330062856472 Energy: 1.1034824994690522 Energy: 1.1141512519440069 Energy: 1.1215330062877544 Energy: 1.1034824994690522 Energy: 1.1141512519440069 Energy: 1.1215330062856472 Energy: 1.1034824994690522 Energy: 1.1141512519419 Energy: 1.1149740149168523 Energy: 1.1132883120545496 Energy: 1.157532692548143 Energy: 1.1149740149189595 Energy: 1.1132883120565813 Energy: 1.157532692548143 Energy: 1.1149740149189595 Energy: 1.1132883120545496 Energy: 1.157532692548143 Energy: 1.1149740149189595 Energy: 1.1493031413772672 Energy: 1.2058259914812295 Energy: 1.0714843783432482 Energy: 1.1493031413752355 Energy: 1.2058259914791978 Energy: 1.071484378341141 Energy: 1.1493031413752355 Energy: 1.2058259914812295 Energy: 1.0714843783432482 Energy: 1.1493031413731283 Energy: 1.0919431371186115 Energy: 1.0876696132578003 Energy: 1.1219659785070313 Energy: 1.091943137120643 Energy: 1.0876696132578003 Energy: 1.121965978504924 Energy: 1.0919431371186115 Energy: 1.0876696132578003 Energy: 1.121965978504924 Energy: 1.091943137120643 Energy: 1.0960740781236975 Energy: 1.0641806302802652 Energy: 1.1068400454400846 Energy: 1.0960740781257292 Energy: 1.0641806302782335 Energy: 1.1068400454421918 Energy: 1.0960740781236975 Energy: 1.0641806302802652 Energy: 1.1068400454400846 Energy: 1.0960740781236975 Energy: 1.0847756407757587 Energy: 1.1301628819174139 Energy: 1.085128989694441 Energy: 1.0847756407777904 Energy: 1.1301628819111678 Energy: 1.0851289896923337 Energy: 1.0847756407757587 Energy: 1.1301628819174139 Energy: 1.085128989694441 Energy: 1.0847756407777904 Energy: 1.1251330978838958 Energy: 1.0540431595585449 Energy: 1.102223813859933 Energy: 1.1251330978838958 Energy: 1.0540431595585449 Energy: 1.1022238138578258 Energy: 1.1251330978817886 Energy: 1.0540431595585449 Energy: 1.102223813859933 Energy: 1.1251330978838958 Energy: 1.182732100282702 Energy: 1.1157958739783047 Energy: 1.0478680155152154 Energy: 1.182732100282702 Energy: 1.1157958739783047 Energy: 1.0478680155173223 Energy: 1.1827321002848092 Energy: 1.1157958739783047 Energy: 1.0478680155152154 Energy: 1.182732100282702 Energy: 1.0010365077667884 Energy: 1.1180038520582651 Energy: 1.105559632222075 Energy: 1.0010365077688956 Energy: 1.118003852056158 Energy: 1.105559632222075 Energy: 1.0010365077667884 Energy: 1.1180038520582651 Energy: 1.105559632222075 Energy: 1.0010365077688956 Energy: 1.0822677171040676 Energy: 1.051400905332136 Energy: 1.20164309824889 Energy: 1.0822677171019606 Energy: 1.051400905334168 Energy: 1.201643098250997 Energy: 1.0822677171040676 Energy: 1.051400905332136 Energy: 1.201643098250997 Energy: 1.0822677170999286 Energy: 1.0806678392757119 Energy: 1.1200518585594919 Energy: 1.088423793627274 Energy: 1.0806678392757119 Energy: 1.120051858561599 Energy: 1.088423793631413 Energy: 1.0806678392757119 Energy: 1.120051858561599 Energy: 1.088423793627274 Energy: 1.0806678392757119 Energy: 1.0714549132715472 Energy: 1.1027153694127838 Energy: 1.139903771692234 Energy: 1.0714549132715472 Energy: 1.1027153694148155 Energy: 1.1331923242037285 Energy: 1.0714549132715472 Energy: 1.1276934700111447 Energy: 1.1399037716860634 Energy: 1.0714549132715472 Energy: 1.1076339574121874 Energy: 1.0981798498891293 Energy: 1.1050233767402173 Energy: 1.1076339574121874 Energy: 1.0981798498891293 Energy: 1.105023376742249 Energy: 1.1076339574121874 Energy: 1.0981798498891293 Energy: 1.1050233767402173 Energy: 1.1076339574121874 Energy: 1.1843351689266592 Energy: 1.1062030643713492 Energy: 1.067362883633013 Energy: 1.1843351689266592 Energy: 1.1062030643713492 Energy: 1.0673628836309057 Energy: 1.1843351689266592 Energy: 1.1062030643713492 Energy: 1.067362883633013 Energy: 1.1843351689266592 Energy: 1.0766500810194595 Energy: 1.0824087908448985 Energy: 1.1151633334524398 Energy: 1.0766500810194595 Energy: 1.0824087908448985 Energy: 1.1151633334524398 Energy: 1.0766500810194595 Energy: 1.0824087908427915 Energy: 1.1151633334524398 Energy: 1.0766500810194595 Energy: 1.1394908788779665 Energy: 1.0471764636360974 Energy: 1.0795774027330312 Energy: 1.1394908788758593 Energy: 1.0471764636340657 Energy: 1.0795774027330312 Energy: 1.1394908788821057 Energy: 1.0471764636360974 Energy: 1.0795774027330312 Energy: 1.1394908788758593 Energy: 1.0727049954022505 Energy: 1.13372536841201 Energy: 1.0201395914426028 Energy: 1.0727049954022505 Energy: 1.1337253684140418 Energy: 1.0201395914404958 Energy: 1.0727049954022505 Energy: 1.1337253684140418 Energy: 1.0201395914404958 Energy: 1.0727049954022505 Energy: 1.0514030540520585 Energy: 1.1246554366336434 Energy: 1.1704713646925686 Energy: 1.0514030540499513 Energy: 1.1246554366357504 Energy: 1.1704713646946003 Energy: 1.0514030540520585 Energy: 1.1246554366336434 Energy: 1.1704713646925686 Energy: 1.0514030540499513 Energy: 1.1054437550854421 Energy: 1.0751479596792253 Energy: 1.0869500645059258 Energy: 1.1054437550854421 Energy: 1.0751479596792253 Energy: 1.0869500645059258 Energy: 1.1054437550854421 Energy: 1.0751479596792253 Energy: 1.0869500645079577 Energy: 1.1054437550874743 Energy: 1.1143812054657112 Energy: 1.110681648839737 Energy: 1.1109897257521881 Energy: 1.0978963572391751 Energy: 1.110681648839737 Energy: 1.0999735421192345 Energy: 1.088984779194177 Energy: 1.110681648839737 Energy: 1.121145310623651 Energy: 1.0880402521974186 Energy: 1.1261747395641537 Energy: 1.0731630477836953 Energy: 1.1073359460883858 Energy: 1.1261747395724317 Energy: 1.0731630477836953 Energy: 1.1073359460904928 Energy: 1.126174739566261 Energy: 1.0731630477836953 Energy: 1.1073359460904928 Energy: 1.1261747395682926 Energy: 1.1355898075151045 Energy: 1.107917438962656 Energy: 1.1004031456554821 Energy: 1.1355898075130726 Energy: 1.1079174389646878 Energy: 1.1004031456554821 Energy: 1.1355898075151045 Energy: 1.1079174389646878 Energy: 1.1004031456554821 Energy: 1.1355898075151045 Energy: 1.0724465773710428 Energy: 1.1168244189161862 Energy: 1.0843074578917258 Energy: 1.0724465773710428 Energy: 1.1168244189182934 Energy: 1.0843074578917258 Energy: 1.0724465773710428 Energy: 1.1168244189161862 Energy: 1.0843074578896188 Energy: 1.0724465773710428 Energy: 1.105933350581861 Energy: 1.1002225414443165 Energy: 1.082426252242997 Energy: 1.105933350583968 Energy: 1.088202329154017 Energy: 1.0824262522451042 Energy: 1.105933350579829 Energy: 1.0755865250394492 Energy: 1.082426252242997 Energy: 1.105933350583968 Energy: 1.114677718876826 Energy: 1.1238506757248783 Energy: 1.1208707582032151 Energy: 1.114677718874794 Energy: 1.1238506757269102 Energy: 1.1208707582053221 Energy: 1.114677718876826 Energy: 1.1238506757248783 Energy: 1.1208707582032151 Energy: 1.114677718876826 Energy: 1.047816700843453 Energy: 1.0593346231938614 Energy: 1.1169342486061118 Energy: 1.047816700841346 Energy: 1.0593346231918295 Energy: 1.1169342486061118 Energy: 1.047816700843453 Energy: 1.0593346231938614 Energy: 1.1169342486040048 Energy: 1.047816700843453 Energy: 0.9804442723345677 Energy: 1.091710773074992 Energy: 1.1141789645119995 Energy: 0.9804442723324606 Energy: 1.09171077307296 Energy: 1.1141789645119995 Energy: 0.9804442723345677 Energy: 1.09171077307296 Energy: 1.1141789645119995 Energy: 0.9804442723324606 Energy: 1.0959432807022085 Energy: 1.1069644829998684 Energy: 1.0633866579652158 Energy: 1.0940037412474748 Energy: 1.1069644829998684 Energy: 1.0753939209400232 Energy: 1.0940037412474748 Energy: 1.1069644829998684 Energy: 1.0661263963853402 Energy: 1.0940037412474748 Energy: 1.086357779420941 Energy: 1.0875773648306972 Energy: 1.1318211842024413 Energy: 1.086357779423048 Energy: 1.0875773648306972 Energy: 1.1318211842024413 Energy: 1.086357779420941 Energy: 1.0875773648306972 Energy: 1.1318211842024413 Energy: 1.08635777942508 Energy: 1.104584337105258 Energy: 1.148597075266309 Energy: 1.0513690816809584 Energy: 1.104584337105258 Energy: 1.148597075266309 Energy: 1.0513690816789267 Energy: 1.1045843371072896 Energy: 1.148597075266309 Energy: 1.0513690816809584 Energy: 1.1045843371031507 Energy: 1.04699453293757 Energy: 1.1162321491468572 Energy: 1.1111890122578567 Energy: 1.04699453293757 Energy: 1.1162321491468572 Energy: 1.111189012259964 Energy: 1.04699453293757 Energy: 1.1162321491468572 Energy: 1.1111890122578567 Energy: 1.04699453293757 Energy: 1.0686334567989515 Energy: 1.019743199622455 Energy: 1.108785858305019 Energy: 1.0686334567989515 Energy: 1.0197431996245623 Energy: 1.108785858307126 Energy: 1.0686334567989515 Energy: 1.019743199622455 Energy: 1.108785858305019 Energy: 1.0686334567989515 Energy: 1.1151537573407744 Energy: 1.0842409943346447 Energy: 1.12314563215753 Energy: 1.1151537573428814 Energy: 1.0842409943346447 Energy: 1.123145632159637 Energy: 1.1151537573407744 Energy: 1.0842409943346447 Energy: 1.123145632155498 Energy: 1.1151537573428814 Energy: 1.0884232492895836 Energy: 1.0799820596936902 Energy: 1.116423133925041 Energy: 1.0884232492916153 Energy: 1.0799820596916583 Energy: 1.1164231339270727 Energy: 1.0884232492895836 Energy: 1.0799820596936902 Energy: 1.116423133925041 Energy: 1.0884232492916153 Energy: 1.0960085182917563 Energy: 1.0709153930956892 Energy: 1.14521197513543 Energy: 1.0960085182897243 Energy: 1.0709153930956892 Energy: 1.14521197513543 Energy: 1.0960085182917563 Energy: 1.0709153930956892 Energy: 1.14521197513543 Energy: 1.0960085182917563 Energy: 0.9947499101136056 Energy: 1.0888505989399855 Energy: 1.107355835954402 Energy: 0.994749910111574 Energy: 1.0888505989378783 Energy: 1.107355835952295 Energy: 0.9947499101157127 Energy: 1.0888505989358466 Energy: 1.107355835954402 Energy: 0.994749910111574 Energy: 1.0748054447581201 Energy: 1.1795768681955814 Energy: 1.1031614098551235 Energy: 1.0748054447601518 Energy: 1.1795768681955814 Energy: 1.1031614098551235 Energy: 1.0748054447581201 Energy: 1.1795768681955814 Energy: 1.1031614098551235 Energy: 1.0748054447601518 Energy: 1.1113430962982138 Energy: 1.075986043490921 Energy: 1.0850495051040812 Energy: 1.1113430962961068 Energy: 1.075986043488889 Energy: 1.0850495051040812 Energy: 1.1113430963002457 Energy: 1.075986043490921 Energy: 1.0850495051040812 Energy: 1.1113430962961068 minimum gb energy = 0.9804442723324606 eV minimum distance = 2.32934434356365 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.1064800188260333 Energy: 1.0854862891866586 Energy: 1.0852459211928192 Energy: 1.106480018826264 Energy: 1.085486289186935 Energy: 1.0852459211925425 Energy: 1.106480018826264 Energy: 1.0854862891866586 Energy: 1.0852459211925425 Energy: 1.106480018826264 Energy: 1.1490550216601776 Energy: 1.0890533437947272 Energy: 1.162677516305686 Energy: 1.149055021659901 Energy: 1.0890533437944967 Energy: 1.1626775163034277 Energy: 1.149055021659901 Energy: 1.0890533437947272 Energy: 1.1626775163041654 Energy: 1.1490550216606845 Energy: 1.1297513662779275 Energy: 1.0778820790068788 Energy: 0.9702780811938406 Energy: 1.1297513662782042 Energy: 1.077882079006372 Energy: 0.970278081195131 Energy: 1.1297513662782042 Energy: 1.0778820790066026 Energy: 0.970278081195131 Energy: 1.1297513662776972 Energy: 0.9700976144470936 Energy: 1.077951487950302 Energy: 1.1507586699946526 Energy: 0.9700976144473241 Energy: 1.077951487950302 Energy: 1.1507586699951595 Energy: 0.9700976144473241 Energy: 1.0779514879500716 Energy: 1.1507586699951595 Energy: 0.9700976144470936 Energy: 1.2457815196483726 Energy: 1.08724534158894 Energy: 1.150622541259536 Energy: 1.245781519648142 Energy: 1.0872453415881567 Energy: 1.1506225412597664 Energy: 1.2457815196478657 Energy: 1.0872453415884331 Energy: 1.150622541259536 Energy: 1.245781519648649 Energy: 1.0955998146078039 Energy: 1.174852392602017 Energy: 0.8726364055546686 Energy: 1.0955998146075274 Energy: 1.1748523926022933 Energy: 0.8726364055564659 Energy: 1.0955998146080346 Energy: 1.174852392602017 Energy: 0.8726364055549451 Energy: 1.0955998146078039 Energy: 1.0887606484557335 Energy: 1.112629293385005 Energy: 1.1593757279295431 Energy: 1.0887606484557335 Energy: 1.112629293385005 Energy: 1.1593757279313404 Energy: 1.0887606484557335 Energy: 1.1126292933847286 Energy: 1.1593757279298196 Energy: 1.0887606484557335 Energy: 1.1887048648813539 Energy: 1.036796760679499 Energy: 1.0371478914449057 Energy: 1.1887048648810774 Energy: 1.036796760679729 Energy: 1.0371478914454126 Energy: 1.1887048648813539 Energy: 1.036796760679499 Energy: 1.0371478914454126 Energy: 1.1887048648810774 Energy: 1.088703817072246 Energy: 1.1594556322334988 Energy: 1.1125135950218075 Energy: 1.0887038170717391 Energy: 1.1594556322337752 Energy: 1.1125135950235587 Energy: 1.0887038170724763 Energy: 1.1594556322334988 Energy: 1.1125135950230516 Energy: 1.0887038170717391 Energy: 1.095328646135718 Energy: 0.8724112202663533 Energy: 1.1748456432553143 Energy: 1.095328646135718 Energy: 0.8724112202660768 Energy: 1.1748456432550836 Energy: 1.0953286461354415 Energy: 0.8724112202660768 Energy: 1.1748456432553143 Energy: 1.095328646135718 Energy: 1.245520367097335 Energy: 1.1506077623246183 Energy: 1.0875428893757342 Energy: 1.2455203670970585 Energy: 1.150607762324388 Energy: 1.0875428893757342 Energy: 1.245520367097335 Energy: 1.1506077623241113 Energy: 1.087542889375458 Energy: 1.2455203670970585 Energy: 0.9701393181371148 Energy: 1.1507194237948477 Energy: 1.078007154780222 Energy: 0.9701393181376219 Energy: 1.1507194237953546 Energy: 1.0780071547804986 Energy: 0.9701393181371148 Energy: 1.1507194237950782 Energy: 1.0780071547804986 Energy: 0.9701393181373453 Energy: 1.1297416975971655 Energy: 0.9708290478272953 Energy: 1.0779897260493636 Energy: 1.1297416975974421 Energy: 0.9708290478275258 Energy: 1.077989726049087 Energy: 1.1297416975971655 Energy: 0.9708290478275258 Energy: 1.0779897260488567 Energy: 1.1297416975971655 Energy: 1.1492111723264733 Energy: 1.1520855898605933 Energy: 1.0891146346448601 Energy: 1.1492111723267036 Energy: 1.1520855898616071 Energy: 1.0891146346448601 Energy: 1.1492111723261969 Energy: 1.1520855898605933 Energy: 1.0891146346448601 Energy: 1.1492111723264733 Energy: 1.106480018826264 Energy: 1.0854862891866586 Energy: 1.0852459211928192 Energy: 1.1064800188260333 Energy: 1.0854862891866586 Energy: 1.0852459211928192 Energy: 1.106480018826264 Energy: 1.0854862891866586 Energy: 1.0852459211930496 Energy: 1.106480018826264 Energy: 1.149055021660408 Energy: 1.0890533437947272 Energy: 1.1626775163049485 Energy: 1.1490550216601776 Energy: 1.0890533437947272 Energy: 1.162677516305686 Energy: 1.1490550216606845 Energy: 1.0890533437944967 Energy: 1.1626775163036582 Energy: 1.1490550216601776 Energy: 1.1297513662779275 Energy: 1.0778820790066026 Energy: 0.9702780811936101 Energy: 1.1297513662784346 Energy: 1.0778820790068788 Energy: 0.9702780811941172 Energy: 1.1297513662779275 Energy: 1.077882079006372 Energy: 0.9702780811933337 Energy: 1.1297513662779275 Energy: 0.9700976144473241 Energy: 1.0779514879500716 Energy: 1.1507586699956664 Energy: 0.9700976144470936 Energy: 1.0779514879497951 Energy: 1.1507586699946526 Energy: 0.9700976144473241 Energy: 1.077951487950302 Energy: 1.150758669994883 Energy: 0.9700976144470936 Energy: 1.2457815196483726 Energy: 1.0872453415881567 Energy: 1.150622541259536 Energy: 1.2457815196483726 Energy: 1.0872453415886638 Energy: 1.150622541259536 Energy: 1.245781519649156 Energy: 1.0872453415881567 Energy: 1.1506225412597664 Energy: 1.2457815196488795 Energy: 1.0955998146072972 Energy: 1.1748523926022933 Energy: 0.8726364055556824 Energy: 1.0955998146075274 Energy: 1.174852392602017 Energy: 0.8726364055549451 Energy: 1.0955998146078039 Energy: 1.1748523926017864 Energy: 0.8726364055554521 Energy: 1.0955998146080346 Energy: 1.0887606484554568 Energy: 1.112629293385005 Energy: 1.1593757279298196 Energy: 1.0887606484557335 Energy: 1.112629293385005 Energy: 1.1593757279295431 Energy: 1.0887606484554568 Energy: 1.1126292933852353 Energy: 1.1593757279305572 Energy: 1.0887606484552266 Energy: 1.1887048648808471 Energy: 1.036796760679499 Energy: 1.0371478914454126 Energy: 1.1887048648810774 Energy: 1.036796760679729 Energy: 1.0371478914451822 Energy: 1.1887048648808471 Energy: 1.036796760679729 Energy: 1.0371478914454126 Energy: 1.1887048648813539 Energy: 1.0887038170717391 Energy: 1.1594556322332685 Energy: 1.112513595023328 Energy: 1.0887038170717391 Energy: 1.1594556322334988 Energy: 1.112513595022821 Energy: 1.0887038170717391 Energy: 1.1594556322334988 Energy: 1.1125135950235587 Energy: 1.0887038170714625 Energy: 1.095328646135718 Energy: 0.8724112202663533 Energy: 1.1748456432550836 Energy: 1.0953286461354415 Energy: 0.8724112202665837 Energy: 1.1748456432550836 Energy: 1.0953286461354415 Energy: 0.8724112202663533 Energy: 1.1748456432543002 Energy: 1.0953286461354415 Energy: 1.2455203670970585 Energy: 1.150607762324895 Energy: 1.0875428893757342 Energy: 1.2455203670978419 Energy: 1.1506077623251252 Energy: 1.0875428893757342 Energy: 1.245520367097335 Energy: 1.150607762324388 Energy: 1.0875428893762413 Energy: 1.2455203670975654 Energy: 0.9701393181373453 Energy: 1.150719423792313 Energy: 1.078007154780222 Energy: 0.9701393181376219 Energy: 1.150719423792313 Energy: 1.0780071547799916 Energy: 0.9701393181376219 Energy: 1.15071942379282 Energy: 1.078007154780222 Energy: 0.9701393181371148 Energy: 1.1297416975969352 Energy: 0.9708290478275258 Energy: 1.077989726050101 Energy: 1.1297416975971655 Energy: 0.9708290478272953 Energy: 1.0779897260498705 Energy: 1.1297416975969352 Energy: 0.9708290478272953 Energy: 1.0779897260488567 Energy: 1.1297416975974421 Energy: 1.14921117232698 Energy: 1.1520855898605933 Energy: 1.0891146346448601 Energy: 1.1492111723267036 Energy: 1.1520855898598557 Energy: 1.0891146346448601 Energy: 1.1492111723264733 Energy: 1.1520855898605933 Energy: 1.0891146346446299 Energy: 1.1492111723267036 Energy: 1.1064800188260333 Energy: 1.0854862891866586 Energy: 1.0852459211928192 Energy: 1.106480018826264 Energy: 1.0854862891866586 Energy: 1.0852459211925425 Energy: 1.106480018826264 Energy: 1.0854862891866586 Energy: 1.0852459211928192 Energy: 1.106480018826264 Energy: 1.1490550216601776 Energy: 1.08905334379422 Energy: 1.1626775163046723 Energy: 1.149055021659394 Energy: 1.0890533437944967 Energy: 1.1626775163044416 Energy: 1.149055021659901 Energy: 1.0890533437939898 Energy: 1.1626775163044416 Energy: 1.149055021659394 Energy: 1.1297513662782042 Energy: 1.0778820790073862 Energy: 0.970278081192827 Energy: 1.1297513662782042 Energy: 1.0778820790068788 Energy: 0.9702780811925965 Energy: 1.1297513662779275 Energy: 1.0778820790068788 Energy: 0.97027808119232 Energy: 1.1297513662779275 Energy: 0.9700976144473241 Energy: 1.0779514879492884 Energy: 1.1507586699956664 Energy: 0.9700976144476006 Energy: 1.077951487950302 Energy: 1.1507586699956664 Energy: 0.9700976144468172 Energy: 1.0779514879497951 Energy: 1.1507586699956664 Energy: 0.9700976144470936 Energy: 1.2457815196483726 Energy: 1.0872453415881567 Energy: 1.1506225412597664 Energy: 1.245781519648649 Energy: 1.0872453415886638 Energy: 1.150622541259536 Energy: 1.2457815196483726 Energy: 1.0872453415886638 Energy: 1.1506225412597664 Energy: 1.245781519648649 Energy: 1.0955998146078039 Energy: 1.1748523926017864 Energy: 0.8726364055554521 Energy: 1.0955998146072972 Energy: 1.1748523926017864 Energy: 0.8726364055564659 Energy: 1.0955998146080346 Energy: 1.1748523926017864 Energy: 0.8726364055551755 Energy: 1.0955998146075274 Energy: 1.0887606484557335 Energy: 1.112629293385005 Energy: 1.1593757279295431 Energy: 1.0887606484552266 Energy: 1.1126292933855118 Energy: 1.1593757279308334 Energy: 1.0887606484552266 Energy: 1.112629293385005 Energy: 1.15937572793005 Energy: 1.0887606484557335 Energy: 1.1887048648810774 Energy: 1.036796760679729 Energy: 1.0371478914449057 Energy: 1.1887048648805705 Energy: 1.036796760678992 Energy: 1.0371478914451822 Energy: 1.1887048648810774 Energy: 1.036796760679499 Energy: 1.0371478914446755 Energy: 1.1887048648805705 Energy: 1.0887038170714625 Energy: 1.1594556322342822 Energy: 1.112513595022821 Energy: 1.088703817072246 Energy: 1.1594556322337752 Energy: 1.1125135950230516 Energy: 1.0887038170717391 Energy: 1.1594556322334988 Energy: 1.112513595022821 Energy: 1.0887038170714625 Energy: 1.0953286461354415 Energy: 0.8724112202658463 Energy: 1.1748456432550836 Energy: 1.095328646135718 Energy: 0.8724112202660768 Energy: 1.1748456432550836 Energy: 1.095328646135718 Energy: 0.8724112202665837 Energy: 1.174845643255821 Energy: 1.0953286461354415 Energy: 1.245520367097335 Energy: 1.1506077623246183 Energy: 1.0875428893762413 Energy: 1.245520367097335 Energy: 1.1506077623246183 Energy: 1.0875428893757342 Energy: 1.2455203670978419 Energy: 1.150607762324895 Energy: 1.0875428893757342 Energy: 1.2455203670978419 Energy: 0.9701393181366079 Energy: 1.1507194237905158 Energy: 1.0780071547804986 Energy: 0.9701393181376219 Energy: 1.150719423790009 Energy: 1.078007154780222 Energy: 0.9701393181373453 Energy: 1.1507194237910228 Energy: 1.078007154780222 Energy: 0.9701393181376219 minimum gb energy = 0.8724112202658463 eV minimum distance = 2.21407156222818 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.1923156863845725 Energy: 1.2150765168423006 Energy: 1.2153087180185946 Energy: 1.1923156863859468 Energy: 1.2150765168427586 Energy: 1.2153087180185946 Energy: 1.1923156863854885 Energy: 1.2150765168418427 Energy: 1.2153087180185946 Energy: 1.1923156863864048 Energy: 1.2128673640380716 Energy: 1.1902634005887125 Energy: 1.2144486129225238 Energy: 1.212867364038988 Energy: 1.1902634006303994 Energy: 1.2144486129220655 Energy: 1.2128673640380716 Energy: 1.1902634006258186 Energy: 1.2144486129225238 Energy: 1.212867364038988 Energy: 1.2131240238457237 Energy: 1.2132227580180746 Energy: 1.085071257099104 Energy: 1.2131240238457237 Energy: 1.2132227580180746 Energy: 1.0824048444527763 Energy: 1.2131240238452654 Energy: 1.2132227580171584 Energy: 1.0822476228345952 Energy: 1.2131240238461816 Energy: 1.0828594935253293 Energy: 1.2131253935499127 Energy: 1.2128796024145927 Energy: 1.08240191557274 Energy: 1.2131253935503707 Energy: 1.2128796024145927 Energy: 1.0833376481916044 Energy: 1.2131253935489965 Energy: 1.2128796024145927 Energy: 1.0843634748573108 Energy: 1.2142328802850348 Energy: 1.1902386639543787 Energy: 1.2128247231266633 Energy: 1.2142328802854931 Energy: 1.1902386639644569 Energy: 1.2128247231266633 Energy: 1.2142328802841187 Energy: 1.1902386639617082 Energy: 1.2128247231271214 Energy: 1.2142328802845768 Energy: 1.215076516844133 Energy: 1.2153087180176783 Energy: 1.1923156863850304 Energy: 1.2150765168423006 Energy: 1.2153087180172202 Energy: 1.1923156863864048 Energy: 1.215076516843675 Energy: 1.2153087180176783 Energy: 1.1923156863845725 Energy: 1.2150765168418427 Energy: 1.1902634006542208 Energy: 1.214448612922982 Energy: 1.2128673640380716 Energy: 1.190263400696324 Energy: 1.2144486129225238 Energy: 1.212867364039446 Energy: 1.190263400705944 Energy: 1.214448612922982 Energy: 1.2128673640380716 Energy: 1.1902634007490054 Energy: 1.2132227580180746 Energy: 1.0847353854033728 Energy: 1.2131240238452654 Energy: 1.2132227580180746 Energy: 1.084920564690283 Energy: 1.2131240238461816 Energy: 1.2132227580184909 Energy: 1.0846938415322371 Energy: 1.2131240238448073 Energy: 1.2132227580184909 Energy: 1.2131253935499127 Energy: 1.2128796024141348 Energy: 1.0827838550492248 Energy: 1.2131253935494546 Energy: 1.2128796024141348 Energy: 1.1278855445752773 Energy: 1.2131253935494546 Energy: 1.2128796024141348 Energy: 1.0843063034864073 Energy: 1.2131253935499127 Energy: 1.1902386639662892 Energy: 1.2128247231266633 Energy: 1.2142328802850348 Energy: 1.1902386640061022 Energy: 1.2128247231271214 Energy: 1.2142328802841187 Energy: 1.1902386639924007 Energy: 1.2128247231271214 Energy: 1.2142328802859512 Energy: 1.19023866400427 Energy: 1.2153087180176783 Energy: 1.1923156863854885 Energy: 1.215076516843675 Energy: 1.2153087180181363 Energy: 1.1923156863850304 Energy: 1.215076516843217 Energy: 1.2153087180176783 Energy: 1.1923156863859468 Energy: 1.2150765168427586 Energy: 1.2153087180181363 Energy: 1.2144486129220655 Energy: 1.2128673640385297 Energy: 1.1902634007714106 Energy: 1.2144486129225238 Energy: 1.2128673640380716 Energy: 1.1902634007778239 Energy: 1.2144486129220655 Energy: 1.2128673640385297 Energy: 1.1902634008057682 Energy: 1.214448612922982 Energy: 1.127572183464071 Energy: 1.2131240238461816 Energy: 1.2132227580184909 Energy: 1.1273727515219931 Energy: 1.2131240238448073 Energy: 1.2132227580189492 Energy: 1.1273907385068653 Energy: 1.2131240238452654 Energy: 1.2132227580180746 Energy: 1.0826909492451557 Energy: 1.2128796024145927 Energy: 1.1275842584011944 Energy: 1.2131253935494546 Energy: 1.2128796024136768 Energy: 1.0857290065477039 Energy: 1.2131253935494546 Energy: 1.2128796024141348 Energy: 1.0834543172843056 Energy: 1.213125393550829 Energy: 1.2128796024127604 Energy: 1.212824723126205 Energy: 1.2142328802850348 Energy: 1.1902386640248843 Energy: 1.2128247231266633 Energy: 1.2142328802841187 Energy: 1.1902386640372529 Energy: 1.2128247231275793 Energy: 1.2142328802845768 Energy: 1.1902386640308396 Energy: 1.2128247231266633 Energy: 1.1923156863845725 Energy: 1.2150765168418427 Energy: 1.2153087180172202 Energy: 1.1923156863859468 Energy: 1.215076516843675 Energy: 1.2153087180176783 Energy: 1.1923156863845725 Energy: 1.2150765168423006 Energy: 1.2153087180181363 Energy: 1.1923156863859468 Energy: 1.2128673640380716 Energy: 1.19026340085112 Energy: 1.2144486129216074 Energy: 1.212867364038988 Energy: 1.1902634008579496 Energy: 1.214448612922982 Energy: 1.2128673640371557 Energy: 1.1902634008886424 Energy: 1.2144486129220655 Energy: 1.2128673640385297 Energy: 1.2131240238452654 Energy: 1.2132227580189492 Energy: 1.1276028508406692 Energy: 1.2131240238457237 Energy: 1.2132227580176165 Energy: 1.0854113414696513 Energy: 1.2131240238448073 Energy: 1.2132227580180746 Energy: 1.1278222473469226 Energy: 1.2131240238448073 Energy: 1.0842312981048856 Energy: 1.2131253935499127 Energy: 1.2128796024145927 Energy: 1.1278535255932274 Energy: 1.2131253935503707 Energy: 1.2128796024145927 Energy: 1.1278258086777462 Energy: 1.2131253935494546 Energy: 1.2128796024132185 Energy: 1.084199791042224 Energy: 1.2142328802845768 Energy: 1.1902386640454987 Energy: 1.2128247231275793 Energy: 1.2142328802850348 Energy: 1.1902386640711522 Energy: 1.2128247231266633 Energy: 1.2142328802841187 Energy: 1.1902386640596998 Energy: 1.212824723126205 Energy: 1.2142328802850348 Energy: 1.215076516843675 Energy: 1.2153087180176783 Energy: 1.1923156863850304 Energy: 1.2150765168423006 Energy: 1.215308718016762 Energy: 1.1923156863864048 Energy: 1.2150765168427586 Energy: 1.2153087180172202 Energy: 1.1923156863845725 Energy: 1.2150765168427586 Energy: 1.1902634009536508 Energy: 1.214448612922982 Energy: 1.2128673640376135 Energy: 1.1902634009252901 Energy: 1.2144486129220655 Energy: 1.2128673640380716 Energy: 1.1902634009623545 Energy: 1.2144486129234398 Energy: 1.2128673640376135 Energy: 1.190263400973349 minimum gb energy = 1.0822476228345952 eV minimum distance = 2.36621950175849 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.1704048076923732 Energy: 1.0814096733372682 Energy: 1.1154819504891837 Energy: 1.1144163216521341 Energy: 1.081409672959524 Energy: 1.1154819504954132 Energy: 1.1704048076902966 Energy: 1.0814096707406684 Energy: 1.11548195049126 Energy: 1.1144163216521341 Energy: 1.116262025740273 Energy: 1.06472266048356 Energy: 1.0573313186674367 Energy: 1.1162620257423492 Energy: 1.06472266048356 Energy: 1.0573313186653601 Energy: 1.1162620257381963 Energy: 1.0647226604814832 Energy: 1.0573313186653601 Energy: 1.1162620257381963 Energy: 1.1299872721574065 Energy: 1.062477046755021 Energy: 1.033329315480121 Energy: 1.1299872721574065 Energy: 1.0624770467591744 Energy: 1.0333293154780445 Energy: 1.1299872721574065 Energy: 1.0624770467570976 Energy: 1.033329315480121 Energy: 1.1299872721574065 Energy: 1.0686623188877242 Energy: 1.0633989438667468 Energy: 1.064839674296248 Energy: 1.0686623188898008 Energy: 1.0633989438688234 Energy: 1.064839674296248 Energy: 1.0686623188898008 Energy: 1.0633989438709 Energy: 1.0648396742941715 Energy: 1.0686623188856477 Energy: 1.0939448809260381 Energy: 1.0628314829404895 Energy: 1.1453329280445774 Energy: 1.093944880921885 Energy: 1.0628314829404895 Energy: 1.1453329280425009 Energy: 1.0939448809260381 Energy: 1.0628314829404895 Energy: 1.1453329280445774 Energy: 1.0939448809239616 Energy: 1.100838352161878 Energy: 1.0532763455937562 Energy: 1.0650789977343704 Energy: 1.1008383521598015 Energy: 1.053276406484541 Energy: 1.0650789977343704 Energy: 1.1008383521598015 Energy: 1.053276344578774 Energy: 1.0650789977343704 Energy: 1.100838352161878 Energy: 1.0991077669209472 Energy: 1.1479803380380795 Energy: 1.1158400153498282 Energy: 1.0920729636042075 Energy: 1.1479803380380795 Energy: 1.1158400153539816 Energy: 1.0991077669188702 Energy: 1.147980338036003 Energy: 1.1158400153519048 Energy: 1.0920729636062843 Energy: 1.0794035422122634 Energy: 1.0931354764727597 Energy: 1.1442328000366966 Energy: 1.0794035422143398 Energy: 1.0931354764727597 Energy: 1.1442328000346578 Energy: 1.0794035422122634 Energy: 1.0931354764769128 Energy: 1.1442328000366966 Energy: 1.0794035422122634 Energy: 1.232503418791461 Energy: 1.0924914862694224 Energy: 1.0946554944836655 Energy: 1.232503418791461 Energy: 1.113724713412239 Energy: 1.1009146178198848 Energy: 1.232503418791461 Energy: 1.092491486271499 Energy: 1.0946554944878186 Energy: 1.232503418791461 Energy: 1.0335602479161798 Energy: 1.0913985675065718 Energy: 1.1166104693794066 Energy: 1.0321659361183928 Energy: 1.0913985675065718 Energy: 1.0851037744668717 Energy: 1.0335602479182566 Energy: 1.0913985675065718 Energy: 1.1166104693752534 Energy: 1.0321659361163165 Energy: 1.089354310814673 Energy: 1.0592971606653032 Energy: 1.1152766016747346 Energy: 1.08935431081052 Energy: 1.0592971606653032 Energy: 1.1152766016788878 Energy: 1.0893543108084431 Energy: 1.0592971606653032 Energy: 1.1152766016788878 Energy: 1.0893543108125965 Energy: 1.0792976684521167 Energy: 1.0645162160993422 Energy: 1.0638500008972929 Energy: 1.0792976684521167 Energy: 1.0644612154720392 Energy: 1.063850000901446 Energy: 1.0792976684479638 Energy: 1.0645162160972657 Energy: 1.063850000901446 Energy: 1.0792976684500402 Energy: 1.1239025725040064 Energy: 1.0724364375152546 Energy: 1.0844181664788404 Energy: 1.1239025725019298 Energy: 1.0724364375131779 Energy: 1.0844181664788404 Energy: 1.1239025725019298 Energy: 1.0724364375173312 Energy: 1.0844181664829937 Energy: 1.1239025725040064 Energy: 1.0671087405309276 Energy: 1.05310220289035 Energy: 1.1608141439840332 Energy: 1.0671087405288513 Energy: 1.0531022028882735 Energy: 1.1608141439840332 Energy: 1.0671087405288513 Energy: 1.05310220289035 Energy: 1.1608141439861097 Energy: 1.0671087405288513 Energy: 1.1522397936624806 Energy: 1.1317240189506135 Energy: 1.0826994506386767 Energy: 1.1522397936624806 Energy: 1.1317240189526903 Energy: 1.0827011401852953 Energy: 1.152239793660404 Energy: 1.1317240189506135 Energy: 1.0826994506407532 Energy: 1.152239793660404 Energy: 1.0660083578407111 Energy: 1.1272751278982933 Energy: 1.1009653492141818 Energy: 1.0660083578386346 Energy: 1.1272751278962165 Energy: 1.1009653492162583 Energy: 1.0660083578407111 Energy: 1.1272751278941402 Energy: 1.1009653492162583 Energy: 1.0660083578407111 Energy: 1.12086128689638 Energy: 1.1102587103755317 Energy: 1.1465057097548412 Energy: 1.1208612868984567 Energy: 1.1102587103734551 Energy: 1.1465057097548412 Energy: 1.1208612868943038 Energy: 1.1102587103734551 Energy: 1.1465057097569178 Energy: 1.1208612868943038 Energy: 1.2039410696460406 Energy: 1.046520323751087 Energy: 1.0580178657587425 Energy: 1.2039410696460406 Energy: 1.046520323751087 Energy: 1.0580178657587425 Energy: 1.2039410696460406 Energy: 1.0465203237531635 Energy: 1.058017865756666 Energy: 1.2039410696460406 Energy: 1.0649432557299188 Energy: 1.1778905780098992 Energy: 1.080362529749356 Energy: 1.0649432557319953 Energy: 1.1778905780098992 Energy: 1.080362529753509 Energy: 1.0649432557319953 Energy: 1.1778905780098992 Energy: 1.080362529749356 Energy: 1.0649432557319953 Energy: 1.1210114385764827 Energy: 1.082018378241323 Energy: 1.1185858448961254 Energy: 1.1210114385744063 Energy: 1.0820183782433996 Energy: 1.1185858448940487 Energy: 1.1210114385744063 Energy: 1.0820183782433996 Energy: 1.1185858448961254 Energy: 1.1210114385744063 Energy: 1.115245922565225 Energy: 1.0655068418423663 Energy: 1.1565222684126704 Energy: 1.1152459225631484 Energy: 1.0655068418423663 Energy: 1.156522268410594 Energy: 1.1152459225673013 Energy: 1.065506841844443 Energy: 1.1565222684085175 Energy: 1.1152459225631484 Energy: 1.0777132903869335 Energy: 1.194290780017414 Energy: 1.065142240538701 Energy: 1.0777132903869335 Energy: 1.194290780017414 Energy: 1.065142240538701 Energy: 1.077713290384857 Energy: 1.194290780017414 Energy: 1.065142240538701 Energy: 1.077713290384857 Energy: 1.0796401986922057 Energy: 1.0977603544674663 Energy: 1.0604718074694643 Energy: 1.0729326708526201 Energy: 1.0924886031274061 Energy: 1.0604718068301495 Energy: 1.0796401986901294 Energy: 1.0977603544674663 Energy: 1.0604718079863 Energy: 1.0729326708526201 Energy: 1.0643004392192945 Energy: 1.076099094854954 Energy: 1.0570814031015983 Energy: 1.064300439217218 Energy: 1.0760990948528775 Energy: 1.0570814031015983 Energy: 1.064300439217218 Energy: 1.076099094850801 Energy: 1.0570814031036746 Energy: 1.0643004392192945 Energy: 1.096639942214392 Energy: 1.1099733811616417 Energy: 1.077127889939105 Energy: 1.0966399422123154 Energy: 1.1099733811616417 Energy: 1.077127889939105 Energy: 1.096639942214392 Energy: 1.1099733811616417 Energy: 1.077127889939105 Energy: 1.096639942214392 Energy: 1.0561481078819528 Energy: 1.0779317600530505 Energy: 1.089895870123389 Energy: 1.0559999141112242 Energy: 1.0779317600509741 Energy: 1.078485660820875 Energy: 1.0561481078798762 Energy: 1.0779317600530505 Energy: 1.0898958701213122 Energy: 1.0559999141133007 Energy: 1.1206060586699875 Energy: 1.0589529393171018 Energy: 1.115924952416258 Energy: 1.1206060586471451 Energy: 1.058952939319178 Energy: 1.115924952416258 Energy: 1.120606058672064 Energy: 1.058952939321255 Energy: 1.1159249524183346 Energy: 1.1206060586616813 Energy: 1.1612003700972255 Energy: 1.153542467922982 Energy: 1.0777045724265273 Energy: 1.1612003700972255 Energy: 1.1535424679250585 Energy: 1.0777045724286038 Energy: 1.1612003700972255 Energy: 1.153542467922982 Energy: 1.0777045724306804 Energy: 1.1612003700972255 Energy: 1.108909692318809 Energy: 1.0633636251705325 Energy: 1.1105281615851244 Energy: 1.0858650646940207 Energy: 1.0632954847792042 Energy: 1.1105281615830478 Energy: 1.108909692318809 Energy: 1.0633636251684557 Energy: 1.1105281615830478 Energy: 1.0858650646960974 Energy: 1.0806148745807325 Energy: 1.0620550592339413 Energy: 1.068715842554104 Energy: 1.0806148745848854 Energy: 1.0620550592318647 Energy: 1.0687158424627732 Energy: 1.080614874582809 Energy: 1.0620550592339413 Energy: 1.0687158424793854 Energy: 1.080614874582809 Energy: 1.0910106818848462 Energy: 1.1178799966133384 Energy: 1.0846745022474364 Energy: 1.0910106820425889 Energy: 1.117879996615415 Energy: 1.0846018905066044 Energy: 1.0910106820135548 Energy: 1.1178799966133384 Energy: 1.084674502243283 Energy: 1.091010682779464 Energy: 1.06493137412486 Energy: 1.129117627468419 Energy: 1.076111167768797 Energy: 1.0649313741227835 Energy: 1.1291176274704955 Energy: 1.0761111677708735 Energy: 1.06493137412486 Energy: 1.129117627468419 Energy: 1.0761111677708735 Energy: 1.0649313741269366 Energy: 1.096229067435304 Energy: 1.1011124023472154 Energy: 1.091020891356748 Energy: 1.1134980975163182 Energy: 1.1011124023472154 Energy: 1.0910208913546713 Energy: 1.0962290674332273 Energy: 1.1011124023472154 Energy: 1.0910208913546713 Energy: 1.1134980975163182 Energy: 1.0923948755387534 Energy: 1.0885474115656428 Energy: 1.0941029295901805 Energy: 1.0773863681611224 Energy: 1.0885474115636038 Energy: 1.101996563562842 Energy: 1.0923948755387534 Energy: 1.0885474115636038 Energy: 1.0941029295901805 Energy: 1.0773863681611224 Energy: 1.0620064471035722 Energy: 1.2184711963628736 Energy: 1.1065548882669791 Energy: 1.0620064471014956 Energy: 1.2184711963628736 Energy: 1.1065548882669791 Energy: 1.0620064471014956 Energy: 1.218471196360797 Energy: 1.1065548882669791 Energy: 1.0620064471035722 Energy: 1.075245597393846 Energy: 1.0861468268676429 Energy: 1.065973899746177 Energy: 1.075245597393846 Energy: 1.0861468268697196 Energy: 1.0659738997441004 Energy: 1.075245597393846 Energy: 1.086146826871796 Energy: 1.065973899746177 Energy: 1.075245597389693 Energy: 1.0907285962522917 Energy: 1.1996646817032088 Energy: 1.065329109835682 Energy: 1.0907285962522917 Energy: 1.1996646817032088 Energy: 1.0672852637331858 Energy: 1.0907285962522917 Energy: 1.1996646817011325 Energy: 1.0653291098377586 Energy: 1.090728596250215 Energy: 1.153906183957684 Energy: 1.128015601176081 Energy: 1.063709872075059 Energy: 1.153906183957684 Energy: 1.128015601176081 Energy: 1.0637098720771356 Energy: 1.153906183957684 Energy: 1.1280156011740041 Energy: 1.0637098720771356 Energy: 1.153906183957684 Energy: 1.0901241606296075 Energy: 1.1463401594686493 Energy: 1.13129531863776 Energy: 1.0901241606316843 Energy: 1.1463401594728022 Energy: 1.13129531863776 Energy: 1.0901241606337606 Energy: 1.1463401594707257 Energy: 1.1312953186398362 Energy: 1.0901241606296075 Energy: 1.1366864721087977 Energy: 1.080828965779197 Energy: 1.0639041016492574 Energy: 1.1366864721108743 Energy: 1.0808289657812733 Energy: 1.0639041016513342 Energy: 1.1366864721108743 Energy: 1.0808289657812733 Energy: 1.0639041016513342 Energy: 1.1366864721087977 Energy: 1.0503080664382733 Energy: 1.1300383904652485 Energy: 1.0778173437509542 Energy: 1.0503080664361968 Energy: 1.130038390469402 Energy: 1.0778173437530307 Energy: 1.0503080664341202 Energy: 1.1300383904714784 Energy: 1.0778173437530307 Energy: 1.0503080664361968 Energy: 1.1015418425186085 Energy: 1.1010832263090806 Energy: 1.0956916844289626 Energy: 1.1015418425206849 Energy: 1.1116453939039916 Energy: 1.110047409438705 Energy: 1.1015418425206849 Energy: 1.1010832263090806 Energy: 1.095691684426886 Energy: 1.1015418425186085 Energy: 1.1541426069887455 Energy: 1.0524593792248231 Energy: 1.0826435366651208 Energy: 1.154142606990822 Energy: 1.0524593792227466 Energy: 1.0826435366630442 Energy: 1.154142606986669 Energy: 1.0524593792268997 Energy: 1.0826435366651208 Energy: 1.1541426069887455 Energy: 1.0946241714304086 Energy: 1.2677065701161263 Energy: 1.0787830722541791 Energy: 1.094624171428332 Energy: 1.2677065701140497 Energy: 1.0787830722541791 Energy: 1.0946241714304086 Energy: 1.2677065701140497 Energy: 1.0787830722521026 Energy: 1.0946241714304086 Energy: 1.1040723243467825 Energy: 1.069092241012394 Energy: 1.17356353183188 Energy: 1.104072324344706 Energy: 1.0695740186612743 Energy: 1.1735635318443391 Energy: 1.1040723243467825 Energy: 1.069092241012394 Energy: 1.173563531840186 Energy: 1.104072324348859 Energy: 1.0809387856268637 Energy: 1.0674353366352853 Energy: 1.102009786351236 Energy: 1.0809387856268637 Energy: 1.067435336637362 Energy: 1.102009786351236 Energy: 1.0809387856268637 Energy: 1.067435336637362 Energy: 1.1020097863491594 Energy: 1.0809387856227106 Energy: 1.1067052655560239 Energy: 1.072285063728012 Energy: 1.0823200161360373 Energy: 1.1067052655560239 Energy: 1.072285063728012 Energy: 1.0823443555200187 Energy: 1.1067052655560239 Energy: 1.0722850637259354 Energy: 1.0823200161339606 Energy: 1.1067052655539475 Energy: 1.0613733255703701 Energy: 1.055962352506012 Energy: 1.0862247667537863 Energy: 1.0613733255703701 Energy: 1.0559623525018589 Energy: 1.0862247667517098 Energy: 1.0613733255703701 Energy: 1.0559623525039354 Energy: 1.0862247667558629 Energy: 1.0613733255662166 Energy: 1.0772066945110965 Energy: 1.1522843324843564 Energy: 1.1145299105092443 Energy: 1.0772066945110965 Energy: 1.1522843324822798 Energy: 1.1145299105092443 Energy: 1.0772066945110965 Energy: 1.1522843324864331 Energy: 1.1145299105113209 Energy: 1.0772066945152499 minimum gb energy = 1.0321659361163165 eV minimum distance = 2.29643848014249 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.9874460496271552 Energy: 1.0435628139265436 Energy: 1.0448756805265402 Energy: 0.9874460496271552 Energy: 1.0435628139265436 Energy: 1.0448756805265402 Energy: 0.9874460496271552 Energy: 1.0435628139265436 Energy: 1.044875680528053 Energy: 0.9874460496271552 Energy: 1.0970877831396675 Energy: 0.9702384308887363 Energy: 0.9706900181835816 Energy: 1.0970877831404238 Energy: 0.9702384308879798 Energy: 0.9706900181843381 Energy: 1.0970877831396675 Energy: 0.9702384308887363 Energy: 0.970690018182825 Energy: 1.0970877831404238 Energy: 1.0265175761895968 Energy: 0.9626106954739538 Energy: 1.0052680392088604 Energy: 1.0265175761903533 Energy: 0.9626106954747103 Energy: 1.0052680392081037 Energy: 1.0265175761903533 Energy: 0.9626106954747103 Energy: 1.0052680392088604 Energy: 1.0265175761903533 Energy: 1.0867681013681583 Energy: 1.001934128198439 Energy: 0.9838184409177091 Energy: 1.0867681013696713 Energy: 1.001934128198439 Energy: 0.9838184409184656 Energy: 1.0867681013674015 Energy: 1.001934128196926 Energy: 0.9838184409169525 Energy: 1.0867681013696713 Energy: 1.0503257265134076 Energy: 0.9880763754802556 Energy: 1.1247369848594253 Energy: 1.0503257265134076 Energy: 0.9880763754810121 Energy: 1.1247369848556428 Energy: 1.0503257265141643 Energy: 0.9880763754802556 Energy: 1.1247369848669906 Energy: 1.0503257265141643 Energy: 0.9747632043457469 Energy: 0.9970042423241168 Energy: 0.9706365075104344 Energy: 0.9747632043465034 Energy: 0.9970042420336798 Energy: 0.9706365075096779 Energy: 0.9747632043457469 Energy: 0.9970042434727288 Energy: 0.9706365075104344 Energy: 0.9747632043465034 Energy: 1.0112250714799143 Energy: 1.021275985097747 Energy: 0.9611265511073516 Energy: 1.0112250714784015 Energy: 0.9557486781392167 Energy: 0.9611265511081081 Energy: 1.0112250714791582 Energy: 0.9557486781392167 Energy: 0.9611265511081081 Energy: 1.0112250714791582 Energy: 0.9854769612084768 Energy: 1.1594853932541787 Energy: 1.0767490213420416 Energy: 0.9854769612077203 Energy: 1.1594853932564484 Energy: 1.0767490213427984 Energy: 0.9854769612084768 Energy: 1.1594853932541787 Energy: 1.0767490213412854 Energy: 0.9854769612077203 Energy: 1.1208645102217405 Energy: 0.9782912780397459 Energy: 0.9884873813505959 Energy: 1.120864510220984 Energy: 0.978291278041259 Energy: 0.9884873813505959 Energy: 1.1208645102217405 Energy: 0.9782912780405024 Energy: 0.9884873813498393 Energy: 1.120864510220984 Energy: 1.0875218972116474 Energy: 1.0831667719255997 Energy: 1.097531345493261 Energy: 1.0875218972108907 Energy: 1.0831667719248435 Energy: 1.0975313454955304 Energy: 1.0875218972116474 Energy: 1.0831667719263565 Energy: 1.097531345493261 Energy: 1.0875218972116474 Energy: 1.0107085115492827 Energy: 0.9783552465923006 Energy: 0.9718648843361455 Energy: 1.010708511548526 Energy: 0.9783552465923006 Energy: 0.9718648843376585 Energy: 1.0107085115492827 Energy: 0.9783552465923006 Energy: 1.059223507821934 Energy: 1.010708511548526 Energy: 0.9990458196390193 Energy: 0.9588791589288501 Energy: 1.0213992289853149 Energy: 0.9990458196390193 Energy: 0.9588791589288501 Energy: 1.0213992289860714 Energy: 0.9990458196397757 Energy: 0.9588791589288501 Energy: 1.0213992289853149 Energy: 0.9990458196397757 Energy: 0.9886243845668533 Energy: 1.2007237057219318 Energy: 0.9881936760344605 Energy: 0.9886243845660968 Energy: 1.2007237057226883 Energy: 0.988193676033704 Energy: 0.9886243845668533 Energy: 1.2007237057226883 Energy: 0.9881936760344605 Energy: 0.9886243845660968 Energy: 1.0582779314632902 Energy: 0.9638643495330919 Energy: 0.987078181477479 Energy: 1.0582779314632902 Energy: 0.9638643495338484 Energy: 0.9870781814767225 Energy: 1.0582779314632902 Energy: 0.9638643495330919 Energy: 0.9870781814789922 Energy: 1.0582779314632902 minimum gb energy = 0.9557486781392167 eV minimum distance = 2.20974149702401 Angstroms sigma value = 33