Model name: model_name=EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.615000367164612 cohesive_energy=3.518260241115693 mass=63.546 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[8.034130752959339e-20, 1.7586612258427796e-19, 2.42869149418158e-19, 2.9524911011352e-19, 3.3860080547629196e-19, 3.7563672054783594e-19, 4.07704285877346e-19, 4.346432838014219e-19, 4.5647614479294e-19, 4.73630650013178e-19, 4.87519919253324e-19, 4.99666020315678e-19, 5.1073866303325195e-19, 5.20710610403268e-19, 5.29546614539778e-19, 5.372546863259519e-19, 5.438668692944699e-19, 5.4942642221445e-19, 5.539846147381799e-19, 5.5759752304785e-19, 5.60316416795748e-19, 5.621973721640639e-19, 5.632900566284519e-19, 5.63642535487932e-19, 5.6323558262289595e-19, 5.618000323588319e-19, 5.58972190599822e-19, 5.54324276184588e-19, 5.473500012967859e-19, 5.37446947522032e-19, 5.239005440815619e-19, 5.06012241962952e-19, 4.8435401822454e-19, 4.60471973318136e-19, 4.36263084378396e-19, 4.125188266625159e-19, 3.8881141900921796e-19, 3.64533636474216e-19, 3.3887317550407193e-19, 3.1032559223946e-19, 2.76218456054868e-19, 2.3288438463506996e-19, 1.75928607473004e-19, 1.057923640136736e-19, 2.55374138046528e-20, -7.01453758661442e-20, -1.9709496298477799e-19, -3.7247562604895394e-19, -5.785059281215499e-19, -8.37412865646048e-19, -1.2138330505679099e-18, -1.86384412186488e-18, -3.69618945110532e-18, -1.265741971332876e-17] 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: 0.015350902790490426 Energy: 0.10842925906477414 Energy: 0.11023499138190679 Energy: 0.11011608848867221 Energy: 0.01923254126263037 Energy: 0.01655474122191721 Energy: 0.10834052213185368 Energy: 0.11077334872221066 Energy: 0.1095419658697861 Energy: 0.018674478891901408 Energy: 0.10862279940465126 Energy: 0.10806078119161117 Energy: 0.10861094742746766 Energy: 0.8878720146444503 Energy: 0.11039441894525423 Energy: 0.10885674369730694 Energy: 0.10813056935854498 Energy: 0.10841192717183361 Energy: 0.8875924213986759 Energy: 0.11024422804568601 Energy: 0.10838997230464824 Energy: 0.018980355689710394 Energy: 0.01563325976078198 Energy: 0.10859774064896599 Energy: 0.8881325257224512 Energy: 0.11018767174451419 Energy: 0.01795186009455513 Energy: 0.015616951830361584 Energy: 0.10838774415826449 Energy: 0.11047980397652106 Energy: 0.10988124355445784 Energy: 0.016547713926980075 Energy: 0.01652881329103671 Energy: 0.10821380975105752 Energy: 0.10894850902865422 Energy: 0.1103961782230874 Energy: 0.017335047450272242 Energy: 0.015881307312267758 Energy: 0.10802343423122952 Energy: 0.10877297456957581 Energy: 0.10943760607791882 Energy: 0.10965520532440735 Energy: 0.10852309873477638 Energy: 0.017060009589271084 Energy: 0.016082502561882008 Energy: 0.10906428764774974 Energy: 0.10973761469781182 Energy: 0.11084451583419878 Energy: 0.017685792048883073 Energy: 0.10816241065853067 Energy: 0.10835092013772163 Energy: 0.8886035054713028 Energy: 0.10951015987951328 Energy: 0.01638341809546911 Energy: 0.01587726649434566 Energy: 0.10812367340219133 Energy: 0.8886064487091919 Energy: 0.11001200888863026 Energy: 0.01701013706546953 Energy: 0.015886591654900646 Energy: 0.015889348212872866 Energy: 0.108155631362325 Energy: 0.8887721862552072 Energy: 0.10945931158391345 Energy: 0.1086221474972603 Energy: 0.020422030642870088 Energy: 0.10816547111571745 Energy: 0.10944022077290759 Energy: 0.1096630360009505 Energy: 0.11140384335795671 minimum gb energy = 0.015350902790490426 eV minimum distance = 2.52162007311629 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 1.303750852394929 Energy: 0.9777054222551504 Energy: 1.0316586418425766 Energy: 0.952912846546925 Energy: 0.9348989260116097 Energy: 1.0459469934564656 Energy: 0.9785304469330396 Energy: 1.0307218952062789 Energy: 0.9512163407546994 Energy: 0.9443016992517104 Energy: 0.9534740897654347 Energy: 1.0333665371858158 Energy: 0.9538478700629582 Energy: 0.862884927950183 Energy: 0.8633570403872838 Energy: 0.7498555316204829 Energy: 1.0892497634963958 Energy: 0.9610990930110911 Energy: 0.8633032214804944 Energy: 0.9865246539095058 Energy: 0.9410449147738524 Energy: 0.976287882218267 Energy: 0.9918224588377342 Energy: 0.8109378671288111 Energy: 0.848426549116906 Energy: 0.8100754598342335 Energy: 0.9761220907153364 Energy: 0.9923602005119481 Energy: 0.9459147973285367 Energy: 0.974822657025778 Energy: 0.9457314433048887 Energy: 0.9545651103503056 Energy: 0.9473655696141962 Energy: 0.8119837520012512 Energy: 0.8739264249344676 Energy: 0.8093142001699913 Energy: 0.9944980964669816 Energy: 0.9762591446583151 Energy: 0.8797543709653889 Energy: 0.9733275754617778 Energy: 1.0731198571479241 Energy: 1.0386033629181457 Energy: 1.017414549599138 Energy: 1.0263551477350497 Energy: 0.8792606883533918 Energy: 0.9967774798899713 Energy: 1.0503450877813028 Energy: 0.9629061428093179 Energy: 0.8115438213772976 Energy: 0.820179632635052 Energy: 0.9762241948469202 Energy: 0.97146975725375 Energy: 1.0229466724030112 Energy: 0.8802806256415786 Energy: 1.0689511189190917 Energy: 0.9780136030676909 Energy: 1.056783967361655 Energy: 0.9767319097709428 Energy: 0.819537585538033 Energy: 1.0494680450291676 Energy: 1.0051754312786998 Energy: 1.0138995511691258 Energy: 0.9990985637285241 Energy: 0.8916407030508132 Energy: 0.984953986125599 Energy: 1.0663559554498698 Energy: 1.140352796324204 Energy: 0.825309964214823 Energy: 0.8192821526067947 Energy: 0.972993182800593 Energy: 1.0907143127759744 Energy: 0.9813960756639732 Energy: 1.0335259042834792 Energy: 0.992357212465327 Energy: 0.988255202338311 Energy: 1.089511212412656 Energy: 0.9706445951095382 Energy: 1.15359065893661 Energy: 1.0880664984937922 Energy: 0.9786305679123384 Energy: 1.0060367018916807 Energy: 0.8963400239736737 Energy: 0.7557625787866753 Energy: 1.053975861084896 Energy: 0.9695651824466336 Energy: 1.0062272782353856 Energy: 0.8823252752999865 Energy: 0.7821717580810226 Energy: 0.9802378249119732 Energy: 0.9773375334799393 Energy: 1.0348562791781104 Energy: 0.9230014205711952 Energy: 0.8798802301908604 Energy: 0.9314463831632361 Energy: 0.842875035030041 Energy: 0.8728739086835233 Energy: 0.8169308643569873 Energy: 0.819401216544249 Energy: 0.9222420599717192 Energy: 0.8693030606907243 Energy: 0.9962684724620061 Energy: 0.8731536109415685 Energy: 0.9208559083080741 Energy: 0.9199758018282781 Energy: 0.8730094430858143 Energy: 0.892777052865745 Energy: 0.8113278559485553 Energy: 0.8602378551202399 Energy: 0.8582897552570562 Energy: 0.849764307863774 Energy: 1.0654245986803343 Energy: 0.8900865327648241 Energy: 0.8926096946557525 Energy: 1.0119646297470206 Energy: 1.000909609805939 Energy: 1.0323639494681083 Energy: 0.8140132730004771 Energy: 0.8177463357052374 Energy: 1.0193848313488862 Energy: 1.0420923798542112 Energy: 1.0857297011984368 Energy: 0.8750127847633894 Energy: 1.0292796003472737 Energy: 1.0551178474332603 Energy: 0.971851488199635 Energy: 1.0325638319568646 Energy: 1.0304799414935653 Energy: 0.9870972349094698 Energy: 1.053718784240453 Energy: 0.9844455026220719 Energy: 0.8881463475787474 Energy: 0.8840072085595483 Energy: 0.9917300426373132 Energy: 1.002806637917011 Energy: 1.0317634204382622 Energy: 0.7503739628397903 Energy: 0.8857496893415434 Energy: 0.9924433903522298 Energy: 0.953364215719098 Energy: 1.0870738411500454 Energy: 1.196821032166571 Energy: 1.0437884467184637 Energy: 1.0706249255203182 Energy: 0.9902439769513189 Energy: 0.9852569810123692 Energy: 1.1923523630174053 Energy: 0.988489908327732 Energy: 1.0710734976108036 Energy: 0.9886614649787038 Energy: 0.9995002322662204 Energy: 0.8362168993699743 Energy: 1.139128607376422 Energy: 1.0001381823731654 Energy: 0.9880407618152202 Energy: 0.8860000739329476 Energy: 0.8362174931021631 Energy: 1.0509237695424538 Energy: 1.000413692724291 Energy: 0.987643212142238 Energy: 0.8909119616218323 Energy: 0.8790196905322715 Energy: 1.016654632684518 Energy: 0.8462906426528953 Energy: 0.8893389454814372 Energy: 0.8769054406507125 Energy: 0.8815508040607861 Energy: 1.0177353564552416 Energy: 0.9901536467713589 Energy: 0.9094196114846834 Energy: 0.8756491786714199 Energy: 0.8625862497126983 Energy: 0.8482559789156634 Energy: 0.9742038712989851 Energy: 0.9183624888935793 Energy: 0.8554171131095338 Energy: 0.882522604355193 Energy: 0.8488801565180547 Energy: 0.9395186006198829 Energy: 0.9208538143563683 Energy: 0.8542287400370652 Energy: 0.9958337399323952 Energy: 1.0752616355529911 Energy: 0.966493233437528 Energy: 0.9131632126326572 Energy: 0.7562887819924036 Energy: 1.0147290710395935 Energy: 1.0753772707732807 Energy: 1.0211115693233426 Energy: 0.8741653902558831 Energy: 0.7510074576422676 Energy: 0.9741705958664846 Energy: 1.058501258736462 Energy: 0.9769552833942169 Energy: 0.8175981917642314 Energy: 0.9643834328293587 Energy: 0.9736095632085846 Energy: 1.0286438159026556 Energy: 1.021674228130826 Energy: 1.0434983460421474 Energy: 1.0217684128209807 Energy: 1.0096083204347086 Energy: 1.1501059064077397 Energy: 0.8533736365609929 Energy: 0.8193402565801011 Energy: 0.9815617242678276 Energy: 1.0112088076511496 Energy: 0.984110835573455 Energy: 0.8223441255975785 Energy: 0.8902523303926951 Energy: 0.9961020682005649 Energy: 1.1048644466392454 Energy: 0.9701580371504159 Energy: 0.9758921653487287 Energy: 1.0805622096445067 Energy: 0.975317728053518 Energy: 1.0909109374023178 Energy: 0.9837586143037979 Energy: 1.093823321634253 Energy: 1.1248076554728594 Energy: 0.9845266209867672 Energy: 0.9846103991107119 Energy: 0.878068552821938 Energy: 0.783846655492039 Energy: 0.9667463116439909 Energy: 0.9748855514507978 Energy: 1.0074592915085667 Energy: 0.8901396183526357 Energy: 0.8130716707612688 Energy: 1.2271963716203618 Energy: 0.9850923182176234 Energy: 0.8164013756364529 Energy: 0.8457032693183956 Energy: 0.8119766865876574 Energy: 0.9236478321397519 Energy: 0.8462491273300065 Energy: 0.8500459346817524 Energy: 0.9068620700407712 Energy: 0.8741250577115262 Energy: 0.9719631459031105 Energy: 0.872141532212422 Energy: 0.9007795550548962 Energy: 0.8094251670805969 Energy: 0.8179879580774758 Energy: 0.8890293475629313 Energy: 0.8717546426182892 Energy: 0.9000548046876283 Energy: 0.8708367390906323 Energy: 0.8790462485721231 Energy: 0.9026367664187107 Energy: 0.8492981735986649 Energy: 1.0894110885261978 Energy: 0.9441720948633011 Energy: 0.8193721010730041 Energy: 1.0352447327007075 Energy: 0.9483887893577768 Energy: 0.9600225592594812 Energy: 0.8143746613101339 Energy: 0.8755033703588895 Energy: 1.0037502696500094 Energy: 0.9487242678467048 Energy: 1.0900446377827122 Energy: 1.039783005925503 Energy: 0.9844609400527131 Energy: 1.0295467536793155 Energy: 0.9738625634581984 Energy: 0.95920726639652 Energy: 0.9932573340674751 Energy: 0.9201205017936199 Energy: 1.0608176713579778 Energy: 0.9741625454313766 Energy: 0.9375163372975605 Energy: 0.9858900122257813 Energy: 0.9515472446623799 Energy: 1.0630275204052562 Energy: 1.0416395069838826 Energy: 0.8106698462138637 Energy: 0.8592790163484435 Energy: 0.9544282566710759 Energy: 1.0554436427259268 Energy: 0.9872051519241156 Energy: 1.088593077558845 Energy: 1.0097375915860165 Energy: 1.031605271679399 Energy: 0.952085589773563 Energy: 0.9342344017228611 Energy: 1.088988055766845 Energy: 0.9245450035817001 Energy: 1.0313143367357307 Energy: 0.9484738092005013 Energy: 0.9630024461574632 minimum gb energy = 0.7498555316204829 eV minimum distance = 2.10087008018194 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.7615813009120462 Energy: 1.0719548622966988 Energy: 1.077350723783346 Energy: 1.0834420327531422 Energy: 1.0515804228823067 Energy: 1.0531290421163557 Energy: 1.0645067018382817 Energy: 0.9348868010023841 Energy: 1.0776548311900322 Energy: 1.0550499116214096 Energy: 0.9617706723036199 Energy: 1.0024771883096362 Energy: 0.9302380397353425 Energy: 0.941384256945155 Energy: 0.9300475251378636 Energy: 0.9667507895056828 Energy: 0.9695981950719067 Energy: 0.932223188396665 Energy: 0.9502915705418193 Energy: 1.0115053343282192 Energy: 1.0342856206654978 Energy: 1.2887713179801785 Energy: 1.291134539732619 Energy: 0.9610489579068354 Energy: 1.0011109722555394 Energy: 0.9625709730976085 Energy: 1.2885850669867192 Energy: 1.2900447229726393 Energy: 1.0273839313017732 Energy: 1.0361293283601087 Energy: 0.9960493077410593 Energy: 0.95084488269886 Energy: 0.997546192945998 Energy: 0.9584130599898103 Energy: 1.0279126525849271 Energy: 0.9662509402309346 Energy: 0.9697754504432423 Energy: 0.9677919546269012 Energy: 1.039644330421288 Energy: 1.0271491661865884 Energy: 0.9939780998282104 Energy: 0.9226865060069199 Energy: 1.1018718529039693 Energy: 1.1112280330620994 Energy: 1.10742473314126 Energy: 0.9767255139648342 Energy: 0.9232888598218464 Energy: 1.0922727427984504 Energy: 1.1167971641630128 Energy: 1.106566985937448 Energy: 1.0861871966270555 Energy: 1.080584429019336 Energy: 0.9463654318771735 Energy: 0.9632458638563689 Energy: 1.100126547297543 Energy: 1.081970827554435 Energy: 1.0694096300511797 Energy: 0.9490928581253454 Energy: 0.960168252221769 Energy: 1.1013835703251056 Energy: 1.0180610666349275 Energy: 1.0073037308262267 Energy: 1.001749246937792 Energy: 0.9731471993817562 Energy: 0.9807968436853723 Energy: 0.9555694302061568 Energy: 1.0377984439846033 Energy: 0.9400793997868596 Energy: 0.9054278344230401 Energy: 0.9810116083004151 Energy: 1.0285712188308551 Energy: 1.0314058199764977 Energy: 1.2887698537162129 Energy: 1.2883810888513265 Energy: 0.9763974692477423 Energy: 1.0291791734639528 Energy: 1.0196276238126385 Energy: 1.2895404525823617 Energy: 1.2886101629516695 Energy: 0.9863671250789714 Energy: 1.0241157480736196 Energy: 0.9788753052648302 Energy: 0.9791394050913697 Energy: 0.9674682571775989 Energy: 0.9623000637669503 Energy: 1.02886863793759 Energy: 0.9764755355744642 Energy: 0.9264436173668811 Energy: 0.9692619371232082 Energy: 0.9593691427579156 Energy: 1.0936937354642504 Energy: 1.1270677388873256 Energy: 0.9370825050712838 Energy: 1.1236195738599486 Energy: 1.1166349456641984 Energy: 1.0910352345444512 Energy: 1.1137656498966082 Energy: 0.9180782473589585 Energy: 1.109296468086532 Energy: 1.1151771236110797 Energy: 1.1035947891585756 Energy: 1.0984194594148382 Energy: 1.0894051138946503 Energy: 0.9399196842578721 Energy: 0.9497746551784537 Energy: 1.0856430631803076 Energy: 1.0849724444375302 Energy: 1.0789459641862733 Energy: 0.9307429569144146 Energy: 1.1077615408069692 Energy: 0.9763659703679701 Energy: 0.9827653808392247 Energy: 1.0352101523603026 Energy: 0.9585841709687462 Energy: 0.9515093627360599 Energy: 0.9621566335024412 Energy: 0.9262580991901608 Energy: 0.9453062593924055 Energy: 0.9672321042141074 Energy: 0.9642574613890753 Energy: 1.021982323551652 Energy: 1.0267358778366953 Energy: 1.0240048001081024 Energy: 1.2886855915167639 Energy: 1.0533408793196344 Energy: 0.9613246001898521 Energy: 1.0269233591305758 Energy: 0.9722344103778848 Energy: 1.2884613983388706 Energy: 0.9987785992385074 Energy: 0.9431167250237633 Energy: 0.9968339914890664 Energy: 1.0232335994989088 Energy: 0.9546363049677428 Energy: 0.9886015581547258 Energy: 0.902411995569995 Energy: 0.955177323924195 Energy: 0.9660353565312129 Energy: 0.9405745797852999 Energy: 0.9716538758385289 Energy: 1.218261949576962 Energy: 1.1055332418914239 Energy: 1.090876078414937 Energy: 0.9524953083174289 Energy: 1.1250723110207463 Energy: 1.1190842476643994 Energy: 1.0847681695398765 Energy: 1.1186598329262953 Energy: 1.0935116358782286 Energy: 1.1125323567453222 Energy: 1.120483019874149 Energy: 0.9662788217842667 Energy: 0.9442457265294402 Energy: 1.0940313331633866 Energy: 0.9532586146283892 Energy: 1.119581508160702 Energy: 0.9396483585495925 Energy: 0.9496043439956681 Energy: 1.0905503764054512 Energy: 0.9458782866215695 Energy: 0.9544601349955365 Energy: 1.008764496297011 Energy: 0.9362000894246926 Energy: 0.9893113966230915 Energy: 1.1497471223609794 Energy: 0.9684767917101066 Energy: 0.9680584577093039 Energy: 0.9378228168146692 Energy: 0.945578702981932 Energy: 1.1493927748391006 Energy: 1.0157351368259933 Energy: 1.022463174125574 Energy: 1.0233509650807548 Energy: 1.0293009338476256 Energy: 1.2884592243993118 Energy: 0.9776289707972022 Energy: 1.0225446715739572 Energy: 1.0229642023309584 Energy: 0.9946568794846705 Energy: 1.2885745487971771 Energy: 1.1119072358554118 Energy: 0.9207067552254065 Energy: 0.9878232845263962 Energy: 1.1972535757319176 Energy: 0.9385153376367619 Energy: 0.962698875987958 Energy: 0.9179748589216848 Energy: 0.9541893704746955 Energy: 1.1571928509336868 Energy: 0.9581004815025586 Energy: 1.0977337366304885 Energy: 1.10338886845148 Energy: 1.1164747599510658 Energy: 1.0929253418607952 Energy: 1.1022664473538861 Energy: 1.099591051633091 Energy: 1.0916152261778906 Energy: 1.1040129211184857 Energy: 1.0758013871283238 Energy: 1.0758259738887084 Energy: 0.915140412995785 Energy: 1.1199356217052459 Energy: 0.9514298886891311 Energy: 0.9435567069779608 Energy: 1.1309591185705201 Energy: 0.9480179545192965 Energy: 1.110408456438561 Energy: 0.9267675142424455 Energy: 0.9463230060460701 Energy: 1.1124737540330343 Energy: 1.304229598181373 Energy: 1.0095385589258887 Energy: 1.0066439149224597 Energy: 0.9317197620471933 Energy: 0.9860324773610909 Energy: 1.1833138660403162 Energy: 0.9616884066775033 Energy: 0.9465961035256155 Energy: 0.9450407884189442 Energy: 0.9560242038151183 Energy: 1.3023663298801131 Energy: 0.9961858102970358 Energy: 1.0233290232142587 Energy: 1.0227222664599034 Energy: 1.0044559285765151 Energy: 1.2881618741356275 Energy: 0.9806350876546632 Energy: 1.0226174291837702 Energy: 1.0224897103308903 Energy: 1.0208145013088357 Energy: 0.9538827077474319 Energy: 1.0954914927538761 Energy: 0.9568128406946766 Energy: 0.9843446564198451 Energy: 1.1191607524740874 Energy: 1.0223797925315143 Energy: 1.1161189157763063 Energy: 0.9463063243606221 Energy: 0.9555709512314474 Energy: 1.1160348338789121 Energy: 1.076490239860305 Energy: 1.0912788989612805 Energy: 1.110706720658573 Energy: 1.101070090085888 Energy: 1.089006408312729 Energy: 1.0898393164800855 Energy: 1.1070712179428526 Energy: 1.0986510593780225 Energy: 1.0930266954765409 Energy: 1.1072562599515638 Energy: 0.950611191168655 Energy: 0.9426528578799359 Energy: 0.9460635086335666 Energy: 0.9634747896343234 Energy: 0.9187340163417665 Energy: 1.1477454832196874 Energy: 0.9471911633894847 Energy: 0.9695916870429113 Energy: 0.9414744347076953 Energy: 0.9469679664448998 Energy: 1.0239018865488316 Energy: 1.1756813567270785 Energy: 1.0030272299304452 Energy: 1.0347183709599095 Energy: 0.9938698926109858 Energy: 0.9948922334824147 Energy: 1.1824161165926106 Energy: 1.022972779895022 Energy: 0.9580401155035009 Energy: 0.9445478431330807 Energy: 1.0272958032870279 Energy: 1.1492227708616733 Energy: 1.005877222207982 Energy: 1.0247260904061997 Energy: 1.0226533466610992 Energy: 1.047679746145937 Energy: 1.1494258400972899 Energy: 0.9920611373320259 Energy: 1.0246653750264914 Energy: 1.0124220319601747 Energy: 1.107563326171116 Energy: 0.9588936631592531 Energy: 1.1216875434977251 Energy: 0.9784333841131264 Energy: 1.003061156150088 Energy: 0.9517740038411966 Energy: 1.1140742960447356 Energy: 1.1216259911956812 Energy: 0.9593949928518546 Energy: 0.9554096473866437 Energy: 1.10562640139553 Energy: 1.1099183955847138 Energy: 1.1134749996519377 Energy: 1.1235383311761435 Energy: 1.095914302879881 Energy: 1.103824939435597 Energy: 1.1198948117831757 Energy: 0.9749273600055107 Energy: 1.1222284874942288 Energy: 1.0960087038168635 Energy: 0.957966242145196 Energy: 0.959569664022876 Energy: 0.9598449611268575 Energy: 0.9866861452682868 Energy: 1.0266876954736146 Energy: 0.9475177483637596 Energy: 1.0050893682508257 Energy: 0.976106496226097 Energy: 0.9868273064885037 Energy: 0.9744033980436104 Energy: 1.0239608069401713 Energy: 1.2886487200540773 Energy: 1.291098603519536 Energy: 1.0166869453866187 Energy: 1.000141814483469 Energy: 1.0249347575861998 Energy: 1.2886197511432662 Energy: 1.2899849882440049 Energy: 0.996202054663915 Energy: 1.0283043583633908 Energy: 0.9547387276247027 Energy: 0.9477791993382148 Energy: 0.9661029085729981 Energy: 0.9586304954755076 Energy: 1.0281038142129553 Energy: 1.0172281990284233 Energy: 0.940994716034551 Energy: 0.970560330464117 Energy: 0.9925393931849464 Energy: 1.0275678103663048 Energy: 0.9509649776671966 Energy: 0.9277569576943465 Energy: 1.1012628313103925 Energy: 1.1119697481162476 Energy: 1.0989892466993065 Energy: 0.9716613423773915 Energy: 0.9400509663814376 Energy: 1.1185375275385996 Energy: 1.1215870321494892 Energy: 1.0773563547384655 Energy: 1.0757932097654397 Energy: 1.0795583268290792 Energy: 0.9274418402753116 Energy: 0.9622640437951354 Energy: 1.1058856043276444 Energy: 1.1028111966393235 Energy: 1.0867425789323149 Energy: 0.9445428098886126 Energy: 0.9623163901327731 Energy: 1.0895531364642068 Energy: 0.9749074724580616 Energy: 0.9925034200427948 Energy: 0.9531043286836993 Energy: 0.9492086966098293 Energy: 0.9743974793253652 Energy: 0.9487395041323659 Energy: 1.036901669245542 Energy: 0.9512855666802748 Energy: 0.9474484910485579 Energy: 0.9499539272507236 Energy: 1.0281537624652162 Energy: 0.9729320235768558 Energy: 1.288852650394485 Energy: 1.2884733232729004 Energy: 1.0108383734761894 Energy: 1.0289945254343207 Energy: 1.0247324227215437 Energy: 1.2896305861505704 Energy: 1.2885028120331719 Energy: 0.9490749112015527 Energy: 1.0275158490172493 Energy: 0.9516340653459027 Energy: 0.9474967053497144 Energy: 0.9511745556501926 Energy: 0.9524849008379107 Energy: 1.0292321833037696 Energy: 1.0350020584216975 Energy: 0.9173596314667045 Energy: 1.0066032742326891 Energy: 0.9506952083676623 Energy: 1.0687907847971188 Energy: 0.9499230209456387 Energy: 0.9325005007405931 Energy: 1.07101713368232 Energy: 1.1064949561413817 Energy: 1.0912273975072282 Energy: 1.128597095624165 Energy: 0.9475554084958578 Energy: 1.1219809534679772 Energy: 1.1150348451451009 Energy: 1.0976983261626474 Energy: 1.0757229260056587 Energy: 1.0728434289746087 Energy: 0.9274698612468896 Energy: 0.9621036310608585 Energy: 1.1016162358597488 Energy: 1.1091500923334865 Energy: 1.0938602407321352 Energy: 0.9420162776412768 Energy: 1.1320187487020619 Energy: 0.9721070905329298 Energy: 0.9489917291443917 Energy: 1.000618466258594 Energy: 0.9561375674444796 Energy: 0.935460136933715 Energy: 0.9743526269470674 Energy: 0.9379047103956818 Energy: 0.9875351346404404 Energy: 0.991417260641646 Energy: 0.9742435706273651 Energy: 1.0033095749333971 Energy: 1.026550803846621 Energy: 0.990121051016558 Energy: 1.2887792248874044 Energy: 0.9910387922675888 Energy: 1.017843166301338 Energy: 1.0266946001723702 Energy: 1.0265323856782431 Energy: 1.2885067526667753 Energy: 1.0311643088052178 Energy: 0.9314918145250396 Energy: 0.9549081023125164 Energy: 0.9569270675650705 Energy: 0.9408656850169425 Energy: 0.9571687614682012 Energy: 0.9667374810597864 Energy: 0.9592507135193592 Energy: 1.0097822441956146 Energy: 0.9564906288474736 Energy: 0.9924969790331991 Energy: 1.229626768394329 Energy: 1.1194981544155294 Energy: 1.124994752587537 Energy: 1.0922092725317691 Energy: 1.0929513652594156 Energy: 1.116978337489677 Energy: 1.1039603241592055 Energy: 1.1075056529145222 Energy: 1.0895076970058277 Energy: 1.1222441515028447 Energy: 1.107133493521945 Energy: 0.9547540463766305 Energy: 0.9366170158984154 Energy: 1.1254428317762255 Energy: 0.9078720654000455 Energy: 1.110863017891893 Energy: 0.9678959693713428 Energy: 0.9519443708698069 Energy: 1.109062498505004 Energy: 0.9540432540300886 Energy: 0.9689871016842897 Energy: 0.9293618558503678 Energy: 0.9371409245755937 Energy: 0.9478193784233294 Energy: 1.1492953182552643 Energy: 0.9740001371449555 Energy: 0.9598977764587782 Energy: 0.9437448025977117 Energy: 1.0012446336809167 Energy: 1.1468284007637224 Energy: 1.018024958702734 Energy: 1.0224032419790998 Energy: 1.0231861737190207 Energy: 0.982843178321556 Energy: 1.288528594370259 Energy: 0.9822453617594082 Energy: 1.0224609082450116 Energy: 1.0227307429803218 Energy: 1.0310170695592389 Energy: 1.2885601217912928 Energy: 1.115752671707987 Energy: 0.9681174317482802 Energy: 0.9498655854138572 Energy: 1.1694615478482786 Energy: 0.9312699304756613 Energy: 1.1060468080629946 Energy: 0.9634658438087587 Energy: 0.9833997121749524 Energy: 1.0955495388931704 Energy: 1.0223724858441792 Energy: 1.102778672289529 Energy: 1.0946235583077057 Energy: 1.1091903259558853 Energy: 1.0735511953139147 Energy: 1.0876820769163407 Energy: 1.0852758584589373 Energy: 1.1032067998057318 Energy: 1.1105107149214382 Energy: 1.0720737465562473 Energy: 1.0947986144132478 Energy: 0.9386397002657312 Energy: 1.1176470949603472 Energy: 0.9416874144784463 Energy: 0.8994253553308538 Energy: 1.114895706347195 Energy: 0.9488896150965433 Energy: 1.1195503560746247 Energy: 0.9459011504885108 Energy: 0.9360481477012756 Energy: 1.1413162561235675 Energy: 1.3040640488292063 Energy: 0.9879298571956165 Energy: 0.9718944847069214 Energy: 0.927423704406081 Energy: 0.944983866604207 Energy: 1.1833568976935063 Energy: 0.9749313981547328 Energy: 1.007685781410971 Energy: 0.9531696073050779 Energy: 0.9874987022025832 Energy: 1.302449764943855 Energy: 1.0003126306325147 Energy: 1.023459815021491 Energy: 1.0227538023775273 Energy: 1.0044543034162254 Energy: 1.2882098947007994 Energy: 0.992508587640381 Energy: 1.0226306641342242 Energy: 1.0225642819980234 Energy: 1.0261692624887775 Energy: 0.9890801494155399 Energy: 1.1171988467862968 Energy: 0.9137547448510529 Energy: 0.9708162283999306 Energy: 1.1038464696827572 Energy: 0.9885714315115928 Energy: 1.112869616165165 Energy: 0.9543635887362444 Energy: 1.0000645518818791 Energy: 1.1025395401588307 Energy: 1.0864901345805986 Energy: 1.101035690117698 Energy: 1.1203397357819966 Energy: 1.1018761091581304 Energy: 1.0573905893215425 Energy: 1.07016316649329 Energy: 1.089569307931391 Energy: 1.106210043865643 Energy: 1.075660139672428 Energy: 1.0803610887086754 Energy: 0.975079507382002 Energy: 0.9640742994986419 Energy: 0.9665753979398818 Energy: 0.9726147922711362 Energy: 0.8940091895127771 Energy: 1.1300504709272017 Energy: 0.9496896717622094 Energy: 0.97123952012918 Energy: 0.9754112703069618 Energy: 0.9189196357729441 Energy: 1.0419554481442184 Energy: 1.174986997730832 Energy: 1.0397413599446614 Energy: 0.951163202795434 Energy: 0.9847513234719723 Energy: 0.9848506363197712 Energy: 1.175356821353806 Energy: 1.0086571366660528 Energy: 1.0002484030128969 Energy: 0.9974803971743845 Energy: 1.0117379118627778 Energy: 1.1495223611656118 Energy: 0.9921271163380356 Energy: 1.0255257401613707 Energy: 0.9952314348833015 Energy: 0.9840402729984665 Energy: 1.1418389087552292 Energy: 0.9621012028385025 Energy: 1.025074679968003 Energy: 1.0129246212215128 Energy: 1.051019259146681 Energy: 0.9530664433296367 Energy: 1.0819784137351076 Energy: 0.93374230249035 Energy: 0.9676625410159837 Energy: 0.8941264007606019 Energy: 1.0603408316536689 Energy: 1.0785020534554062 Energy: 0.9295043665926043 Energy: 0.9780487189165388 minimum gb energy = 0.8940091895127771 eV minimum distance = 2.03935584976999 Angstroms sigma value = 105 ======================================== theta = 38.572650822227786 ======================================== Energy: 1.6959779437481701 Energy: 0.9440530699555804 Energy: 0.9643008308954981 Energy: 0.9438665102976372 Energy: 1.0524305095185087 Energy: 1.1223518555160457 Energy: 0.9615991298295635 Energy: 0.9437469039174772 Energy: 0.9649664400621977 Energy: 1.0584245869886055 Energy: 0.9587073524764275 Energy: 1.0374706506617355 Energy: 0.9438631585790614 Energy: 0.943640651165011 Energy: 1.0665781620778894 Energy: 0.9596249207098233 Energy: 1.0479640966456394 Energy: 0.9567337259446258 Energy: 0.955864736685664 Energy: 1.1217986863581326 Energy: 1.0348147120776472 Energy: 1.1310961553680021 Energy: 1.0933227062395758 Energy: 1.0673426097322065 Energy: 1.1594853334488522 Energy: 1.0100249946925908 Energy: 1.159956009974742 Energy: 1.0628716636096271 Energy: 1.0441235683161765 Energy: 1.0273218872888192 Energy: 1.1481249782095726 Energy: 0.9443252374400756 Energy: 1.0383855842638525 Energy: 0.8922614744543976 Energy: 1.1161154844144967 Energy: 1.1540251083653406 Energy: 0.9552357172906173 Energy: 1.0797240908619883 Energy: 1.0344057588547322 Energy: 1.176555011192338 Energy: 1.0449814327605516 Energy: 0.993576320598523 Energy: 0.9551881978333862 Energy: 0.955733442677817 Energy: 0.8929962451069985 Energy: 1.0605161213629521 Energy: 0.9389793356551825 Energy: 0.9596322139970378 Energy: 0.9630397800356155 Energy: 0.9567228926270187 Energy: 0.9942845521564972 Energy: 1.1165413367091068 Energy: 0.894266513474578 Energy: 0.9700122994819167 Energy: 0.8925897127333615 Energy: 1.0782642105478115 Energy: 0.9942309877407207 Energy: 0.9769525694591183 Energy: 0.9699520086829576 Energy: 0.9505518801400115 Energy: 1.1117710623509758 Energy: 1.0209549439566712 Energy: 1.1231796914033807 Energy: 0.8913217166081772 Energy: 0.9563377822482473 Energy: 0.9616385564395241 Energy: 1.0771972838366184 Energy: 1.1082116097079169 Energy: 0.9602222756846046 Energy: 0.9607802392942278 Energy: 1.1773120124322511 Energy: 1.1263292860149607 Energy: 1.057815653372891 Energy: 1.0580148242199436 Energy: 0.8914032481639171 Energy: 0.9440246194924755 Energy: 1.0892441826110064 Energy: 1.1767500093941219 Energy: 1.039364196365147 Energy: 0.960151030259797 Energy: 1.1592712516948853 Energy: 1.078602380749695 Energy: 0.9675516017759512 Energy: 1.125003148749215 Energy: 1.13020731407175 Energy: 1.1170723037266317 Energy: 1.099868126978766 Energy: 0.9460796264371445 Energy: 1.1259012558848225 Energy: 1.130770817912682 Energy: 0.9479174450546908 Energy: 0.9942608253427876 Energy: 0.9303325552124502 Energy: 1.0395546109159806 Energy: 1.0217085871999452 Energy: 0.9607478171713127 Energy: 0.9942840033132073 Energy: 0.9304385482191259 Energy: 1.041923186113751 Energy: 1.0208914578188137 Energy: 0.9782035795878322 Energy: 1.0799533028857846 Energy: 1.0783143571004343 Energy: 0.989661128260064 Energy: 1.0430103107759015 Energy: 0.9914426359150091 Energy: 1.1410013452389087 Energy: 1.1264092501063412 Energy: 0.9846957746754837 Energy: 1.0442474818824266 Energy: 1.0408685270166675 Energy: 0.9381654199850907 Energy: 1.051522658227815 Energy: 1.0257125601831227 Energy: 1.0113317546622569 Energy: 1.04161810199667 Energy: 0.9439547208131233 Energy: 1.0569804687541102 Energy: 0.912755279427049 Energy: 1.0363910240230847 Energy: 1.0645475794936736 Energy: 0.9353567905397098 Energy: 1.0142927651745144 Energy: 0.9893206221935538 Energy: 1.0267186128184906 Energy: 1.1390717445729321 Energy: 1.1226107214549426 Energy: 0.9945367127090458 Energy: 1.0272087665981895 Energy: 1.007482925777211 Energy: 1.0418023027676915 Energy: 1.033504244289748 Energy: 0.9967360775020135 Energy: 0.9357873940529657 Energy: 1.0420153109964774 Energy: 1.0781107959140392 Energy: 1.0395165593110358 Energy: 1.0315843065276329 Energy: 0.9132279253172667 Energy: 1.0411002140773187 Energy: 1.078370048068076 Energy: 1.0717716616751072 Energy: 1.125754460692821 Energy: 0.9501157791970094 Energy: 1.0716479637020566 Energy: 0.9412186190909387 Energy: 1.0970406186246024 Energy: 1.1271701828802971 Energy: 0.9503877240697509 Energy: 1.0934765003777542 Energy: 1.2154182519186159 Energy: 1.0757083982133064 Energy: 0.9503690200375671 Energy: 1.011978326670682 Energy: 1.0858775256355897 Energy: 1.0543710174359442 Energy: 1.0592034676830078 Energy: 0.9534068778237629 Energy: 1.0596926029390223 Energy: 1.0954534871104438 Energy: 0.9412407014083546 Energy: 1.111654627979882 Energy: 0.9355521699150957 Energy: 0.9522966396817776 Energy: 0.9516000686067234 Energy: 0.9366451602331182 Energy: 0.9512262814207045 Energy: 0.912989217342054 Energy: 0.9430786569901946 Energy: 0.958509265159312 Energy: 0.9401297988315885 Energy: 1.1292359105615601 Energy: 1.1686821632950064 Energy: 0.9694959554087648 Energy: 0.9915270276653962 Energy: 0.9371992283452005 Energy: 1.1167582356843155 Energy: 1.1624003463015309 Energy: 0.9435239729946341 Energy: 0.986598873815632 Energy: 0.9592666578904718 Energy: 1.0532905016098033 Energy: 0.9239384340417556 Energy: 0.9607755025187462 Energy: 0.9502248555959579 Energy: 0.9430675433385349 Energy: 0.9124382208796825 Energy: 0.9012851324614077 Energy: 0.9607404392497227 Energy: 0.9574142888469135 Energy: 1.0521706936781279 Energy: 0.9476740863039648 Energy: 1.135370705275627 Energy: 1.1323049442405018 Energy: 1.0089816794803215 Energy: 1.0599721655305148 Energy: 0.9243891224185383 Energy: 1.1147365057432397 Energy: 1.1307947234372044 Energy: 1.1375828058937416 Energy: 1.1275589575999942 Energy: 1.196692082013569 Energy: 1.1224711087123345 Energy: 0.975978581175757 Energy: 1.1184354409016068 Energy: 1.1362821898258832 Energy: 1.1162691456444414 Energy: 1.1334153457217846 Energy: 0.9728176074978894 Energy: 1.117210863030545 Energy: 0.9446040573151443 Energy: 0.900741932835648 Energy: 1.0527326672789286 Energy: 0.964393026761915 Energy: 0.9576538565473738 Energy: 0.9220452065286732 Energy: 0.9445826388990155 Energy: 1.0610004376287896 Energy: 0.9376822187204144 Energy: 0.9587427300982344 Energy: 0.9739840914621941 Energy: 0.9411275257084675 Energy: 1.1349366981588092 Energy: 1.094851581369761 Energy: 0.9676041053955085 Energy: 0.972925623393519 Energy: 0.9212806437083773 Energy: 1.1609699465929886 Energy: 1.0917614686693826 Energy: 0.969052480837424 Energy: 0.9453630863542141 Energy: 0.966432858029954 Energy: 0.9985174584927674 Energy: 1.1258005226082748 Energy: 0.9332193687598951 Energy: 0.9655414601310336 Energy: 0.9725352758081156 Energy: 0.9553308740432747 Energy: 1.1261837993820623 Energy: 0.9377401958094675 Energy: 1.08728406983308 Energy: 0.9292219158465597 Energy: 0.9371324147844439 Energy: 1.081591789310547 Energy: 1.1195717216635812 Energy: 1.0780900510826679 Energy: 0.9292191302098743 Energy: 0.9373783832421971 Energy: 1.091881588956595 Energy: 1.1261038388683202 Energy: 1.126623131533548 Energy: 1.1187812431763122 Energy: 1.1166726390789519 Energy: 1.0760357803525993 Energy: 0.9598272056020586 Energy: 1.1249474829700203 Energy: 1.122155980766853 Energy: 1.1163677941155368 Energy: 0.9769779631421805 Energy: 1.0855490841700022 Energy: 1.0407378963420262 Energy: 0.949387641506911 Energy: 1.0078050715931803 Energy: 0.98752040634334 Energy: 1.0843949030642195 Energy: 1.0284999374308859 Energy: 0.9557347023437714 Energy: 1.032881476909062 Energy: 0.9819035225252033 Energy: 1.072980860769492 Energy: 1.0361637202011456 Energy: 1.0210276451850613 Energy: 0.9903961158070298 Energy: 1.1538536047299912 Energy: 1.11603627043548 Energy: 1.0521887581749405 Energy: 0.9817106973809667 Energy: 0.9738177980900017 Energy: 1.045609984487198 Energy: 1.1051621109569576 Energy: 0.9760540891998695 Energy: 1.0210726439575482 Energy: 1.0511103799136159 Energy: 0.9576266946877966 Energy: 1.0400479641906097 Energy: 0.9624657911582583 Energy: 1.0260977910421116 Energy: 1.0108912095600473 Energy: 0.9439899399942113 Energy: 1.041379771982652 Energy: 1.1070811952178445 Energy: 1.0265383913206363 Energy: 0.9845937658434949 Energy: 1.1178284630169708 Energy: 0.995921623364041 Energy: 1.103409869595838 Energy: 1.0073400039525173 Energy: 0.984468563672477 Energy: 1.117143464845155 Energy: 1.0145400956255572 Energy: 1.0259995062199214 Energy: 1.0426350267221878 Energy: 0.9351940531833998 Energy: 1.0396538730667613 Energy: 0.9999403242920999 Energy: 1.023846776168167 Energy: 1.0420812516158149 Energy: 0.9682418562566828 Energy: 0.9506963044683152 Energy: 1.0219312921029349 Energy: 1.0546724236334253 Energy: 1.0729433649503755 Energy: 0.9366467417384488 Energy: 1.0804523203924865 Energy: 1.0715741731342356 Energy: 1.021351984539673 Energy: 1.0942397509758308 Energy: 0.9436874379194349 Energy: 1.0967367752358048 Energy: 0.9605466879526829 Energy: 1.1051710022374417 Energy: 1.0580295030550753 Energy: 1.0537212370366362 Energy: 1.059050694905236 Energy: 1.132298646405913 Energy: 1.0815084078606236 Energy: 1.0544034302972511 Energy: 1.0443749796573887 Energy: 1.0870127109540382 Energy: 1.1756212283795957 Energy: 0.9498339982465998 Energy: 0.9965073901593281 Energy: 1.0567996915344298 Energy: 1.090362402103283 Energy: 1.0705345378618532 Energy: 0.9593894651836756 Energy: 1.002716987847409 Energy: 1.0983115176867793 Energy: 1.0037299549003271 Energy: 1.1468982451959464 Energy: 0.9547643852765053 Energy: 0.9886855907259671 Energy: 0.9615569576923838 Energy: 1.0790417129889975 Energy: 1.0431324609293005 Energy: 0.9438234266313077 Energy: 0.9844154302301135 Energy: 0.9616102284398543 Energy: 1.1115188430325669 Energy: 1.0414742282778122 Energy: 0.9605416909788238 Energy: 0.9496607571712096 Energy: 0.942892066642627 Energy: 0.9016991081482475 Energy: 0.8917218569754938 Energy: 0.937600097003283 Energy: 0.9566577595189663 Energy: 0.9523332455506937 Energy: 0.9154030252155991 Energy: 1.1585655782189657 Energy: 1.1269948743635079 Energy: 1.1276042784469926 Energy: 1.1376910896019556 Energy: 0.9243640773757225 Energy: 1.1244879966493024 Energy: 1.0652684379278892 Energy: 1.0733695646040537 Energy: 1.1474122897641381 Energy: 0.9477647581468985 Energy: 1.148652783577635 Energy: 1.1127455730387628 Energy: 1.0229744167638062 Energy: 1.107496833194087 Energy: 1.1078780629834017 Energy: 1.1238335573339748 Energy: 1.1309694116820457 Energy: 1.0008957652444188 Energy: 1.1077233303401366 Energy: 1.1078498516177215 Energy: 1.1360451908910618 Energy: 1.1739850328113448 Energy: 0.9668902423309653 Energy: 0.924982214110368 Energy: 1.1263867513012382 Energy: 0.9572234098226159 Energy: 1.0057685153928904 Energy: 0.9677239621520821 Energy: 0.946253261898339 Energy: 1.1292182233806043 Energy: 0.9495157486260648 Energy: 0.9953992993769414 Energy: 0.965733936989446 Energy: 0.9147211465033893 Energy: 0.9203178256636615 Energy: 1.0803848324518712 Energy: 0.9948024046452059 Energy: 0.966302355632494 Energy: 0.9372282410212518 Energy: 0.945371848198283 Energy: 1.080514380743902 Energy: 1.1301690406348437 Energy: 0.9252553887829986 Energy: 0.9700757117093826 Energy: 0.9581403058480817 Energy: 0.9926530846242381 Energy: 1.1274873026274508 Energy: 0.9391578095242422 Energy: 0.9731700447436892 Energy: 0.9868451164135058 Energy: 0.9907498106337511 Energy: 1.1145253189139404 Energy: 1.0847051718437524 Energy: 0.9331938535558533 Energy: 1.0753198653230707 Energy: 1.1424309027653636 Energy: 1.0439583021561625 Energy: 1.0549368004503632 Energy: 0.9373213847023832 Energy: 1.03421295469645 Energy: 1.1474001924267965 Energy: 0.998441100192628 Energy: 1.1073784260182813 Energy: 1.1259978180849 Energy: 1.1029057449647883 Energy: 1.1324747606617356 Energy: 1.015598196828561 Energy: 1.107548466777521 Energy: 1.1247715171740458 Energy: 0.9175245460671657 Energy: 1.1341677409275532 Energy: 0.9126828864723318 Energy: 1.0609244712646873 Energy: 1.0221561486727724 Energy: 0.9561336702179086 Energy: 1.0608994538043761 Energy: 0.9125639840275114 Energy: 1.065817355570857 Energy: 1.0210395005427884 Energy: 0.949575450616468 Energy: 1.0603755076922694 Energy: 1.0782358230847067 Energy: 1.0199451230691476 Energy: 1.030353884225227 Energy: 0.975863334877064 Energy: 1.0837213942461854 Energy: 1.1357260361991146 Energy: 1.0517080323558328 Energy: 1.029391479959126 Energy: 0.9763825971284157 Energy: 1.0833236124336596 Energy: 1.107238339155135 Energy: 1.0428166063935413 Energy: 0.9927937198794693 Energy: 1.0421810198254393 Energy: 1.1278114515945332 Energy: 1.0234738202859868 Energy: 1.04139890865748 Energy: 0.940740380203492 Energy: 1.041104289614799 Energy: 1.125458256233906 Energy: 1.0408394266681205 Energy: 1.0342827151593907 Energy: 1.007407418583072 Energy: 1.0554314544773857 Energy: 0.9867104095153273 Energy: 1.043739864346949 Energy: 0.9495103309970396 Energy: 0.9490228772914772 Energy: 1.0130179661125998 Energy: 0.95524076117384 Energy: 1.057460082013674 Energy: 1.0591352054771348 Energy: 1.026609901208757 Energy: 1.043571319728026 Energy: 1.140360057496881 Energy: 1.0537964213595672 Energy: 0.9673002926885031 Energy: 1.0388168963161062 Energy: 1.041346391974279 Energy: 1.0185987526040272 Energy: 1.0409839038953455 Energy: 0.9832391643865613 Energy: 1.1070807042610757 Energy: 1.0239322434723142 Energy: 1.009627970513184 Energy: 1.0417877916328315 Energy: 0.9835957887656239 Energy: 1.1116524227237683 Energy: 1.1052941489681118 Energy: 1.0183247791246242 Energy: 1.0857597370264949 Energy: 1.0779093031679172 Energy: 1.0600619495673573 Energy: 1.0963971653189555 Energy: 1.1067838680284212 Energy: 1.124442886792058 Energy: 1.1262075419188387 Energy: 1.0874203075070807 Energy: 1.0961543013826722 Energy: 1.0851787611666244 Energy: 1.0270142488056389 Energy: 1.0448841006266347 Energy: 0.9573005655593986 Energy: 0.9312596926654699 Energy: 1.0463022357958662 Energy: 0.9023191567160428 Energy: 1.0466789453901837 Energy: 0.9566547079581867 Energy: 0.9478196829385092 Energy: 1.1215103274298124 Energy: 1.0185439667682206 Energy: 0.9779672037975449 Energy: 0.9650318758408595 Energy: 0.9773266446277012 Energy: 0.9603771955730539 Energy: 0.9571417582264168 Energy: 0.9613702501386345 Energy: 0.97673911865434 Energy: 0.9586598295846237 Energy: 1.063327817973708 minimum gb energy = 0.8913217166081772 eV minimum distance = 2.16178821683418 Angstroms sigma value = 165 ======================================== theta = 44.41530859719298 ======================================== Energy: 1.256627425720635 Energy: 1.0080508359695062 Energy: 1.0078422773198081 Energy: 0.9825335839161626 Energy: 0.9501654713087957 Energy: 1.1727008498001008 Energy: 1.0082169876546312 Energy: 1.0200243899938597 Energy: 1.0166766758037358 Energy: 0.9986037231857526 Energy: 1.0629643014406363 Energy: 1.1164539353945753 Energy: 0.9344333805989135 Energy: 1.0251346372478636 Energy: 1.054487720243025 Energy: 0.982699245612018 Energy: 0.983411355021763 Energy: 1.0001971623688024 Energy: 1.0473337240767089 Energy: 1.0576488876646164 Energy: 0.9462835685755853 Energy: 1.0936350884513886 Energy: 1.0657689106826076 Energy: 1.0264559646661386 Energy: 1.0444211975784738 Energy: 1.0467354702856266 Energy: 1.0408640486354477 Energy: 1.085073237342643 Energy: 1.0546568145757982 Energy: 1.0444448512983375 Energy: 1.04101085331023 Energy: 0.9808898027878138 Energy: 1.0654039192280655 Energy: 1.0467403150988404 Energy: 1.0444652993515482 Energy: 1.1128112786916158 Energy: 0.97625429524594 Energy: 1.0319714860425353 Energy: 1.067518422265219 Energy: 1.0445521021278272 Energy: 1.102900738793811 Energy: 0.9776637770255588 Energy: 1.0040254237343922 Energy: 0.9930605847164621 Energy: 0.9085994030661454 Energy: 1.0227195137770093 Energy: 0.9324406021828132 Energy: 1.0064392080574198 Energy: 0.9310235776757738 Energy: 0.9937405244436546 Energy: 1.0693514426145934 Energy: 0.9381389170047353 Energy: 1.0261892254197535 Energy: 0.9152333406683231 Energy: 1.012531433204705 Energy: 1.0692518019133022 Energy: 1.0036037210035784 Energy: 0.9089933773751647 Energy: 0.9151859586752137 Energy: 1.0139073704744186 Energy: 1.0125003574008595 Energy: 1.056997721053789 Energy: 1.041961969238976 Energy: 0.984927057230832 Energy: 0.9431521830572864 Energy: 0.9906195268653003 Energy: 0.966464748712416 Energy: 1.0416739395755887 Energy: 0.9817299567623338 Energy: 0.9317409166473144 Energy: 1.1712672640822483 Energy: 1.0255923202540327 Energy: 1.019278375693625 Energy: 1.0191803963926782 Energy: 1.0755601038049118 Energy: 0.8987795355240533 Energy: 1.026422270062274 Energy: 1.1188346317460462 Energy: 1.0201594651427035 Energy: 0.8994555225538178 Energy: 0.8995076107468517 Energy: 1.0125896487893 Energy: 0.9730755839315123 Energy: 1.0202529509033993 Energy: 1.0833018848367115 Energy: 0.9932992796063842 Energy: 0.9903369732114291 Energy: 0.9710539752569957 Energy: 1.0200851873906849 Energy: 0.9844328005607349 Energy: 1.0132074319834046 Energy: 1.0525928140879837 Energy: 1.0313377793196632 Energy: 1.0639257883750637 Energy: 0.9665237594845468 Energy: 0.9916663886042959 Energy: 1.0542131257075704 Energy: 1.0340047045778369 Energy: 1.073303571089112 Energy: 1.0738788973104596 Energy: 1.0763204810593245 Energy: 1.0979222955989882 Energy: 1.0529623817077352 Energy: 1.0292259535335115 Energy: 1.0953412462624421 Energy: 1.0830138644334792 Energy: 1.0369613725632907 Energy: 1.071534409275387 Energy: 1.0629905797125796 Energy: 1.0946574915795844 Energy: 1.098480858575082 Energy: 1.061488948846762 Energy: 0.9618138143623015 Energy: 1.0173319733054749 Energy: 0.9328307944200822 Energy: 1.096296129093718 Energy: 1.0629062959353548 Energy: 1.0107554669431527 Energy: 1.0165209470257195 Energy: 0.9369407602140721 Energy: 1.0583645177392504 Energy: 0.9768068685943778 Energy: 0.9110088824589591 Energy: 0.9897274619274229 Energy: 0.9316889705127955 Energy: 1.0390934355582373 Energy: 1.0589619810521222 Energy: 1.002658343633586 Energy: 0.9890543933806376 Energy: 0.9372944476259021 Energy: 0.909772383376807 Energy: 0.9908738415772704 Energy: 1.0207667894739993 Energy: 0.9142350087460374 Energy: 0.9092553160463622 Energy: 0.9903063365532772 Energy: 0.9904600601249938 Energy: 0.9591396012538141 Energy: 0.9140773395907772 Energy: 0.9620543262692851 Energy: 1.0433131428507276 Energy: 1.029408443068929 Energy: 1.0352722332968567 Energy: 1.041577148699121 Energy: 1.0515040976818109 Energy: 1.0202603712015343 Energy: 1.0747350922293395 Energy: 1.0136850743129298 Energy: 1.0180299077733226 Energy: 1.0633737926405267 minimum gb energy = 0.8987795355240533 eV minimum distance = 2.17751523169133 Angstroms sigma value = 41 ======================================== theta = 52.20027756457278 ======================================== Energy: 0.8124253864962788 Energy: 0.8406774983405687 Energy: 0.852095821790559 Energy: 0.8123059770175433 Energy: 0.8052469776832325 Energy: 0.9019340057157061 Energy: 0.8402029519752847 Energy: 0.8156022555116375 Energy: 0.8124330994002423 Energy: 0.9033677734943532 Energy: 0.8861984146475156 Energy: 0.871382969190239 Energy: 0.8114520090964368 Energy: 0.8121863053784709 Energy: 0.9259321594169968 Energy: 0.8774968623497198 Energy: 0.8707859369178521 Energy: 0.8115796990941689 Energy: 0.812367384678339 Energy: 0.9269368071290701 Energy: 0.8769098246214313 Energy: 0.876951605015539 Energy: 0.8698528958080008 Energy: 0.8636177667146725 Energy: 0.8759506388280209 Energy: 0.8768987184856949 Energy: 0.8759601913189323 Energy: 0.8753712511049047 Energy: 0.8643389828268482 Energy: 0.8746656947127754 Energy: 0.9252624987866711 Energy: 0.8118182613939535 Energy: 0.870609081720257 Energy: 0.876701738151243 Energy: 1.0400766057450093 Energy: 0.9302919567705396 Energy: 0.8230025177290573 Energy: 0.870936604737726 Energy: 0.8766087152112301 Energy: 1.0398180470285783 Energy: 0.9120675941625491 Energy: 0.8700538524137871 Energy: 0.8838648898781314 Energy: 0.9117395980265484 Energy: 0.929085243432615 Energy: 0.9118271262058686 Energy: 0.9002982698825697 Energy: 0.8846251709362889 Energy: 0.9117518540051615 Energy: 0.9281453808735908 Energy: 0.9163065268236648 Energy: 0.9618175043758337 Energy: 0.884730275619969 Energy: 0.9172205777829171 Energy: 0.9257383198847305 Energy: 0.9160012198846141 Energy: 0.9622739324789241 Energy: 0.9564219469613785 Energy: 0.9170589400731375 Energy: 0.8851547670792199 Energy: 0.92940320313504 Energy: 0.9121918978474168 Energy: 0.88470224522759 Energy: 0.8134779732390734 Energy: 0.9130681217174622 Energy: 0.9287620830313488 Energy: 0.9121731797447153 Energy: 0.8848881089344409 Energy: 0.8162392825482389 Energy: 0.9125501240919 Energy: 0.8705884605197237 Energy: 0.8767258657617881 Energy: 0.8702814711921303 Energy: 0.8243491339210255 Energy: 0.9129819378522676 Energy: 0.8691768262784146 Energy: 0.8764628581874787 Energy: 0.8691086481973971 Energy: 0.8261985678505658 Energy: 0.9132834793686182 Energy: 0.9417422026591169 Energy: 0.8655951699067959 Energy: 0.9001047539802866 Energy: 0.8139207646225696 Energy: 0.8768801953835866 Energy: 0.910639953779242 Energy: 0.9195575706020339 Energy: 0.9828339302661562 Energy: 0.8767693014646591 Energy: 0.8768580185165336 Energy: 0.8782607701868839 Energy: 0.8115691120198387 Energy: 0.8112450689631986 Energy: 0.871143067473212 Energy: 0.8784820076668305 Energy: 0.8787482141517251 Energy: 0.8117737989812711 Energy: 0.8111518852954882 Energy: 0.8714276497852925 Energy: 0.912735684851383 Energy: 0.8099463068870355 Energy: 0.8115214701854948 Energy: 0.8115838591788714 Energy: 0.8144389315263872 Energy: 0.911018569457461 Energy: 0.8099123484133057 Energy: 0.8115562829454919 Energy: 0.9114469556610468 Energy: 0.8144708371255098 Energy: 0.9754765250613641 Energy: 0.8721250399238168 Energy: 0.8119008977722738 Energy: 0.8975059771862227 Energy: 0.8126456015348718 Energy: 1.0790648398561955 Energy: 0.8143862387904635 Energy: 0.811593091849483 Energy: 0.8122940523503538 Energy: 0.8124764991381946 Energy: 0.9119114786436362 Energy: 0.8125595694858959 Energy: 0.8969759254180927 Energy: 0.8317805061852934 Energy: 0.9252596461298971 Energy: 0.8715971970142848 Energy: 0.8125632738623678 Energy: 0.8113568239102875 Energy: 0.8309016118083303 Energy: 0.8134140751582654 Energy: 0.8763424359894061 Energy: 0.8142339913726943 Energy: 0.8120537619503562 Energy: 0.8418990821753612 Energy: 0.9017227266747438 Energy: 0.8132723078778371 Energy: 0.8142412525783022 Energy: 0.8121011927880813 Energy: 0.856456595322727 Energy: 0.9016538653041715 Energy: 0.8127398250282748 Energy: 0.811953104601238 Energy: 0.8119026961181839 Energy: 0.8735424492417114 Energy: 1.084035801491913 Energy: 0.8711520604899659 Energy: 0.8117861698172594 Energy: 0.8117990457221024 Energy: 0.9121890456888796 Energy: 1.0685833192923038 Energy: 0.8712816304275428 Energy: 1.029933888013868 Energy: 0.8762738395044866 Energy: 0.9028350368865085 Energy: 0.9256862476641412 Energy: 0.8768482189030249 Energy: 0.9089800607079043 Energy: 0.8762208735683715 Energy: 0.9028536625713313 Energy: 0.9252973126495394 Energy: 0.8771580376794637 Energy: 0.870415301446041 Energy: 0.8763050739897286 Energy: 0.8155612881687069 Energy: 0.9030979284875429 Energy: 0.876097575739397 Energy: 0.8702630295542405 Energy: 0.876474112101567 Energy: 0.813628188101806 Energy: 0.9030927216773095 Energy: 0.8227380779096143 Energy: 0.8830717493155176 Energy: 0.9160193625585772 Energy: 0.9180444327571268 Energy: 0.939364789327338 Energy: 0.8683711243504653 Energy: 0.8840841888140506 Energy: 0.9123889096443396 Energy: 0.8695906273381512 Energy: 0.9136269085718888 Energy: 0.8366102310102695 Energy: 0.9132498030246846 Energy: 0.9258448950076187 Energy: 0.9174427319629025 Energy: 0.9276283544079849 Energy: 1.025102265227031 Energy: 0.9432585725869466 Energy: 0.9173671319567455 Energy: 0.9293326381929479 Energy: 0.8838449265744869 Energy: 1.0252721732525 Energy: 0.884330881532427 Energy: 0.8702602146581624 Energy: 0.8787399239112785 Energy: 0.8846414702477959 Energy: 0.9124830021775665 Energy: 0.8848350506919901 Energy: 0.8701370637303972 Energy: 0.9123226453663801 Energy: 0.884953934621146 Energy: 0.9121560118819289 Energy: 0.8771080172591684 Energy: 0.9001795310458175 Energy: 0.824854117293831 Energy: 0.9111066645352123 Energy: 0.9173775521791466 Energy: 0.8772261153287056 Energy: 0.8718003633998529 Energy: 0.8764965410969526 Energy: 0.911976900474014 Energy: 0.8923069477432803 Energy: 0.8770907585122045 Energy: 0.9801184214556247 Energy: 0.8762365086974155 Energy: 0.8681162558336709 Energy: 0.9139966434019489 Energy: 0.8769551663314982 Energy: 0.9813837865438558 Energy: 0.8761920475511186 Energy: 0.9840824425840075 Energy: 0.9132475459784316 Energy: 0.8113594348942939 Energy: 0.8397448901128043 Energy: 0.9157162776739692 Energy: 0.9156449115819778 Energy: 0.8125495090143109 Energy: 0.8112405196245943 Energy: 0.8315838791943452 Energy: 0.9160706574728432 Energy: 0.927125989570768 Energy: 0.8122845572749836 Energy: 0.8112054603831703 Energy: 0.8396628641576767 Energy: 0.9115558085783227 Energy: 0.9098824628216731 Energy: 0.855660505372395 Energy: 0.8112900881747117 Energy: 0.8398884571874994 Energy: 0.9107301281526028 Energy: 0.8699938797388768 Energy: 0.8121717984598043 Energy: 0.8973656756865935 Energy: 0.8120886643566559 Energy: 0.9323326597676775 Energy: 0.8716242574455916 Energy: 0.8684826331401819 Energy: 0.897474280479134 Energy: 0.8123152610625911 Energy: 1.0802078710114873 Energy: 0.87190124351937 Energy: 0.8121291750498745 Energy: 0.8125193270700704 Energy: 0.9165511470021561 Energy: 0.9159042748481676 Energy: 0.8126025388174631 Energy: 0.8955715391994812 Energy: 0.8119817563289774 Energy: 0.9169030293612819 Energy: 0.9207497199121034 Energy: 0.812447427885131 Energy: 0.895171488237203 Energy: 0.8122800659775137 Energy: 0.9025846182607438 Energy: 0.9024983774054088 Energy: 0.8126667473376027 Energy: 0.8114299156190483 Energy: 0.8123411387327354 Energy: 0.9035047381715057 Energy: 0.9027877581533708 Energy: 0.8124716482820753 Energy: 0.8113824335314581 Energy: 0.811472055890998 Energy: 0.9157095636473246 Energy: 0.9228113024272909 Energy: 0.8295116278262312 Energy: 0.8127223906185893 Energy: 0.811633976501272 Energy: 1.0798679579493553 Energy: 0.8827136204272883 Energy: 0.8281307519388449 Energy: 0.8120542526633312 Energy: 0.9028358306117568 Energy: 0.8138073860293802 Energy: 0.8769601838164607 Energy: 0.8704619578501767 Energy: 0.8771014167560591 Energy: 0.903353629058616 Energy: 0.8127739659477821 Energy: 0.8762495110284552 Energy: 0.8708591872704482 Energy: 0.8759323111182981 Energy: 0.8769245796486426 Energy: 0.8756421659827237 Energy: 0.875915296608075 Energy: 0.9011451014749862 Energy: 0.877038565963877 Energy: 0.9253913968188998 Energy: 0.9030083426353412 Energy: 0.8760510090153147 Energy: 0.8999194275442575 Energy: 0.8771270637045468 Energy: 0.9125555203493789 Energy: 0.9346813303730235 Energy: 0.8719621396832753 Energy: 0.8842945619193469 Energy: 0.8852762953259207 Energy: 0.9519154295241739 Energy: 0.9385100607757644 Energy: 0.961692939435858 Energy: 0.8839868803907671 Energy: 0.9147790100484995 Energy: 1.0412565969198637 Energy: 0.8835930048373491 Energy: 0.8833849646189849 Energy: 0.9127117808078968 Energy: 0.8834443998467668 Energy: 1.0656036337264314 Energy: 0.8836250662906047 Energy: 0.847838028174115 Energy: 0.9125558712197297 Energy: 0.9248319535257123 Energy: 0.9161414050502837 Energy: 0.9123778814227123 Energy: 0.8699694045611667 Energy: 0.8832646520829343 Energy: 0.8709240261022848 Energy: 0.8124741600231359 Energy: 0.9131203790022282 Energy: 1.110358358779278 Energy: 0.8845228630040352 Energy: 0.8703567552133497 Energy: 0.8124138211147588 Energy: 0.936930832626098 Energy: 0.9127200581487506 Energy: 0.8765033602183606 Energy: 0.8699876226917104 Energy: 0.8123586273917148 Energy: 0.9575520519124117 Energy: 0.9170726450066322 Energy: 0.8765488983797375 Energy: 0.9000868443036791 Energy: 0.8769603384094478 Energy: 0.8850632158318198 Energy: 0.9170814190803719 Energy: 0.8115981980855268 Energy: 0.9835577207122553 Energy: 0.8771742541332938 Energy: 0.8850035396240815 Energy: 0.9132785000310456 Energy: 0.8765283726407889 Energy: 0.9841651583320628 Energy: 0.8719442695866957 Energy: 0.9287599353023404 Energy: 0.8124971216910718 Energy: 0.8117606394907695 Energy: 0.8120569875485041 Energy: 0.8709263812807765 Energy: 0.9298538125024882 Energy: 0.8124207632913926 Energy: 0.8124489610807163 Energy: 0.812149876329098 Energy: 0.8697566659156554 Energy: 0.923481082989126 Energy: 0.8149080542667521 Energy: 0.828526670612094 Energy: 0.812369695527951 Energy: 0.8692104632371309 Energy: 0.8226200464584866 Energy: 0.8149203867088046 Energy: 0.8290711777713725 Energy: 0.8130344797539552 Energy: 0.878429014015477 Energy: 0.9247353376565 Energy: 0.828543857584899 Energy: 0.8114827526507162 Energy: 0.8117072863793756 Energy: 0.8783606075564754 Energy: 0.9237311508298374 Energy: 0.8285911664158437 Energy: 0.811432727670904 Energy: 0.8114437537776087 Energy: 0.8737050689592767 Energy: 0.8712933464544368 Energy: 0.811909017268218 Energy: 0.8119594627179044 Energy: 0.8717516445945647 Energy: 1.0834908263658396 Energy: 0.8120384646825568 Energy: 0.8957875981631992 Energy: 0.8123202517068145 Energy: 0.9163493475206489 minimum gb energy = 0.8052469776832325 eV minimum distance = 2.31101199915769 Angstroms sigma value = 185 ======================================== theta = 62.96430821058772 ======================================== Energy: 0.6257134215791802 Energy: 0.8600879604411206 Energy: 0.8392717826685677 Energy: 0.7218036420940117 Energy: 0.3953970538622955 Energy: 0.3938904947654232 Energy: 0.7113345710771842 Energy: 0.7995988305895528 Energy: 0.8558510545365672 Energy: 0.6283179672099969 Energy: 0.7337326009796133 Energy: 0.7924075004448023 Energy: 0.8415478482812465 Energy: 0.7884603732999942 Energy: 0.7037234664823149 Energy: 0.7225728180580903 Energy: 0.773053518037975 Energy: 0.8499745368060719 Energy: 0.8054906667635405 Energy: 0.7250729783224418 Energy: 0.7433782211552538 Energy: 0.8076733715536657 Energy: 0.8324763345539723 Energy: 0.6906187965438643 Energy: 0.5226481352933781 Energy: 0.6994573399327925 Energy: 0.8378637288323267 Energy: 0.8688578356996562 Energy: 0.7957689700226576 Energy: 0.39682971062251166 Energy: 0.39470712378897166 Energy: 0.787915370807571 Energy: 0.8400709060158276 Energy: 0.7259310112791328 Energy: 0.5101115428953679 Energy: 0.5102300668417838 Energy: 0.7794652874600497 Energy: 0.7971843024741849 Energy: 0.8139713150210063 Energy: 0.394513832675292 Energy: 0.7223395379556616 Energy: 0.7104111147219543 Energy: 0.8243980184916884 Energy: 0.7899957138454363 Energy: 0.7833109944297827 Energy: 0.731260801450451 Energy: 0.8628992407222998 Energy: 0.7963586169452667 Energy: 0.7220179722068452 Energy: 0.7381040270728874 Energy: 0.8136544931557816 Energy: 0.8529269019608308 Energy: 0.8094815819619424 Energy: 0.43321621002606964 Energy: 0.457120047858237 Energy: 0.8477506649820531 Energy: 0.8334649085494601 Energy: 0.8174699655433322 Energy: 0.3946784373978632 Energy: 0.3961979266357497 Energy: 0.7912473682833874 Energy: 0.8824260672352268 Energy: 0.835429106986052 Energy: 0.4349016634818652 Energy: 0.4369774778155984 Energy: 0.8978078124794856 Energy: 0.8590564915600958 Energy: 0.7230547569832516 Energy: 0.39685022628639477 Energy: 0.7728768393794072 Energy: 0.829892352256105 Energy: 0.8157125643117578 Energy: 0.8354233369558993 Energy: 0.7983252900366968 Energy: 0.8000303002210711 Energy: 0.8505489487773504 Energy: 0.8027679901264955 Energy: 0.7617098374866238 Energy: 0.7973252724741372 Energy: 0.8370708850330112 Energy: 0.836775413116382 Energy: 0.707180722275297 Energy: 0.39450065244075344 Energy: 0.39472833345849573 Energy: 0.8184922123365082 Energy: 0.8370127484512597 Energy: 0.8131258287748548 Energy: 0.5105063549617455 Energy: 0.5112289293554859 Energy: 0.8156538729921176 Energy: 0.8508364653319925 Energy: 0.8085298777787694 Energy: 0.43432030325001486 Energy: 0.8236905714302714 Energy: 0.7439383482396577 Energy: 0.8545876505780431 Energy: 0.6940724419800648 Energy: 0.5019043889835456 Energy: 0.7824563536888232 Energy: 0.8672890180597184 Energy: 0.8087243308720532 Energy: 0.7868273620019544 Energy: 0.5007354366020798 Energy: 0.8063729682139006 Energy: 0.8331099811523527 Energy: 0.8256776789039698 Energy: 0.4289900295481728 Energy: 0.4356648681631317 Energy: 0.8101576298856882 Energy: 0.8629311674983289 Energy: 0.8430026969854747 Energy: 0.5113793330489904 Energy: 0.5105037778938817 Energy: 0.8695110290095195 Energy: 0.8665896957196446 Energy: 0.8353911304232575 Energy: 0.43346856143749807 Energy: 0.4329363543675507 Energy: 0.8513706786287478 Energy: 0.8356548797457763 Energy: 0.8426401184554527 Energy: 0.8424290954819279 Energy: 0.8228127449683257 Energy: 0.8532204273418583 Energy: 0.8376575452736457 Energy: 0.8541631610956927 Energy: 0.7989577909641143 Energy: 0.8006592989097479 Energy: 0.8271789032534618 Energy: 0.8335493417307535 Energy: 0.47283169425321897 Energy: 0.4736528489213625 Energy: 0.751635616234652 Energy: 0.8208099235144142 Energy: 0.808713197926992 Energy: 0.43356346714610555 Energy: 0.43488012023651695 Energy: 0.7341848442622485 Energy: 0.8498371555201298 Energy: 0.841760095072923 Energy: 0.4611220789529414 Energy: 0.4729874744301547 Energy: 0.7626788731113168 Energy: 0.8536824752359472 Energy: 0.7657152388301065 Energy: 0.42837867422882964 Energy: 0.43363640727350833 Energy: 0.798345888536282 Energy: 0.86746682174673 Energy: 0.8554780894335855 Energy: 0.7091847223808869 Energy: 0.8382515883517713 Energy: 0.8141026044320179 Energy: 0.8194223617262637 Energy: 0.7045388357835639 Energy: 0.7398760557504119 Energy: 0.8618158099169806 Energy: 0.8089251137264616 Energy: 0.8079368288602141 Energy: 0.7922642935225339 Energy: 0.3951566981130391 Energy: 0.8473445550308665 Energy: 0.8436645933053638 Energy: 0.861027078517771 Energy: 0.47161943935417566 Energy: 0.47147269275588816 Energy: 0.7813864169785046 Energy: 0.8550346987615168 Energy: 0.7544722929712665 Energy: 0.3947391747384399 Energy: 0.3976461826024594 Energy: 0.8708031192882978 Energy: 0.83443271754105 Energy: 0.8712070536943084 Energy: 0.7464037454844701 Energy: 0.48879035175185576 Energy: 0.7908417574663538 Energy: 0.861839726346764 Energy: 0.779593951384068 Energy: 0.7490587437127612 Energy: 0.8591309392058959 Energy: 0.851623194272698 Energy: 0.8491223910510357 Energy: 0.8296960759455047 Energy: 0.42863964442618574 Energy: 0.7896895563207375 Energy: 0.7439514660903594 Energy: 0.8368529323062236 Energy: 0.8460582434038526 Energy: 0.4783241109322235 Energy: 0.4726368147110288 Energy: 0.7250429519837333 Energy: 0.8356889120272408 Energy: 0.763036381852591 Energy: 0.43216691241685035 Energy: 0.4336128791141988 Energy: 0.8394294617216485 Energy: 0.8693252970304941 Energy: 0.5024126034724593 Energy: 0.47065392375611953 Energy: 0.8505784941967208 Energy: 0.8271581517925072 Energy: 0.8253491869120486 Energy: 0.7934196273373216 Energy: 0.825331339011232 Energy: 0.8153716025831459 Energy: 0.8332766652413535 Energy: 0.8466621196219556 Energy: 0.8504809836667525 Energy: 0.6582124635709629 Energy: 0.7842572167232212 Energy: 0.877946927160331 Energy: 0.8233820526295857 Energy: 0.43493338172018897 Energy: 0.4281469132997514 Energy: 0.8392414769962147 Energy: 0.9112013320978284 Energy: 0.8113627887248416 Energy: 0.5368130851316361 Energy: 0.8006010713416718 Energy: 0.8952753928194912 Energy: 0.8232588475074843 Energy: 0.8391324925146837 Energy: 0.4332656937142895 Energy: 0.43318579407132846 Energy: 0.8459843209160064 Energy: 0.8501273898739249 Energy: 0.7229766981141128 Energy: 0.510865609986215 Energy: 0.5108673765358047 Energy: 0.8589221346943623 Energy: 0.8112345990650995 Energy: 0.8134758597549004 Energy: 0.7936817424795874 Energy: 0.8206488862888236 Energy: 0.85652788405881 Energy: 0.8111544787794196 Energy: 0.8196762506127647 Energy: 0.8395498131478157 Energy: 0.8138007948260386 Energy: 0.8668955552014735 Energy: 0.8312514359258982 Energy: 0.5108368207563672 Energy: 0.5367613682312135 Energy: 0.8595330873522222 Energy: 0.8386078735576944 Energy: 0.7864943052505471 Energy: 0.39461724045295243 Energy: 0.39662999190454445 Energy: 0.6899454676120269 Energy: 0.8563431959876818 Energy: 0.7656774417752747 Energy: 0.5013762332868289 Energy: 0.5212460410714359 Energy: 0.7516559170459186 Energy: 0.8605979510359013 Energy: 0.772451179526895 Energy: 0.39651081922125 Energy: 0.3983011054408502 Energy: 0.7414820173851562 Energy: 0.849578548258807 Energy: 0.7829309428594979 Energy: 0.861053962285445 Energy: 0.8399925968778917 Energy: 0.8399325354131442 Energy: 0.7951055645622035 Energy: 0.7864097228629926 Energy: 0.8437510413899053 Energy: 0.7907153046182523 Energy: 0.8390046870875345 Energy: 0.6984489456615474 Energy: 0.394637973855902 Energy: 0.39453741257939934 Energy: 0.7411276724584501 Energy: 0.8614140581846624 Energy: 0.8346622470248555 Energy: 0.4330397121485721 Energy: 0.43304816106876953 Energy: 0.770172763511348 Energy: 0.8717557410705787 Energy: 0.7211364546391285 Energy: 0.721578685931516 Energy: 0.3949310840403481 Energy: 0.7455961461104217 Energy: 0.8536343333075327 Energy: 0.7094829976573607 Energy: 0.7292891622534082 Energy: 0.6942463069358293 Energy: 0.8311833701051867 Energy: 0.8756821381831003 Energy: 0.7377849134055345 Energy: 0.4247802056944048 Energy: 0.7245606775537689 Energy: 0.7718476259747955 Energy: 0.7403971280205636 Energy: 0.6889167241288485 Energy: 0.4995595106996962 Energy: 0.7902162930182014 Energy: 0.896535237503128 Energy: 0.6833969346824754 Energy: 0.425713340111944 Energy: 0.39583172837813946 Energy: 0.7524337967251196 Energy: 0.839581655538342 Energy: 0.850810988330101 Energy: 0.5157290896324774 Energy: 0.5098742111270458 Energy: 0.8334224742063969 Energy: 0.8203045208706272 Energy: 0.7425374013635454 Energy: 0.7263790596053705 Energy: 0.7636960539346194 Energy: 0.7349774326160349 Energy: 0.8576179630723043 Energy: 0.7859365326478248 Energy: 0.6997475556965731 Energy: 0.7054423519745295 Energy: 0.7469803290455806 Energy: 0.8138642155464222 Energy: 0.8053593672676883 Energy: 0.6373508825473718 Energy: 0.7331005605901871 Energy: 0.8182982497030662 Energy: 0.7220888973672055 Energy: 0.7793490944824281 Energy: 0.3952598063479267 Energy: 0.6981512928313758 Energy: 0.7696076939374323 Energy: 0.8808299051433206 Energy: 0.6368269725809311 minimum gb energy = 0.3938904947654232 eV minimum distance = 2.4503813827264 Angstroms sigma value = 33 ======================================== theta = 69.97282751604145 ======================================== Energy: 0.8095209206251991 Energy: 0.7815082327676235 Energy: 0.7899428585463965 Energy: 0.8126883249368871 Energy: 0.7756437154672368 Energy: 0.7746619568033918 Energy: 0.77597245227832 Energy: 0.8184395918119576 Energy: 0.8124479074719676 Energy: 0.7915124028619722 Energy: 0.7855967596746288 Energy: 0.8148210789605431 Energy: 0.7870899870765445 Energy: 0.7871540983628658 Energy: 0.80833455393435 Energy: 0.7790957501611463 Energy: 0.8123934113764034 Energy: 0.7904697370939319 Energy: 0.782731231636186 Energy: 0.8039702910474329 Energy: 0.7983242602309334 Energy: 0.7876003312269545 Energy: 0.7828785986727627 Energy: 0.8342914285622531 Energy: 0.7781274818848869 Energy: 0.7769394101435477 Energy: 0.7905617675256071 Energy: 0.7844412397543423 Energy: 0.831474295878965 Energy: 0.7782750224290861 Energy: 0.7916093111401955 Energy: 0.7981473015415542 Energy: 0.8098941497671922 Energy: 0.7772386411621014 Energy: 0.7882629250449258 Energy: 0.7915950764067706 Energy: 0.7989060977611044 Energy: 0.8024444836170601 Energy: 0.7984899699751624 Energy: 0.7832951930935138 Energy: 0.7847853672272995 Energy: 0.7914267457187886 Energy: 0.7988793950732297 Energy: 0.7865046184235384 Energy: 0.7784768187969592 Energy: 0.7864829234157947 Energy: 0.7858271559618413 Energy: 0.7999952013587555 Energy: 0.7864672535212173 Energy: 0.7851243782829503 Energy: 0.8155508417868473 Energy: 0.7899389915154434 Energy: 0.7844668288352565 Energy: 0.7834424772715147 Energy: 0.7799763108836316 Energy: 0.7919775426644874 Energy: 0.7907129869669169 Energy: 0.7838536365530954 Energy: 0.7832832232175251 Energy: 0.7796030280661063 Energy: 0.8251512450442675 Energy: 0.8041071584017763 Energy: 0.7856170406835172 Energy: 0.831536808123953 Energy: 0.8508914966890331 Energy: 0.8399490432157158 Energy: 0.8079730787524587 Energy: 0.7848043258910875 Energy: 0.7837860391083922 Energy: 0.8528939026603974 Energy: 0.7844034388160814 Energy: 0.7948764642340052 Energy: 0.7838503349451422 Energy: 0.8189636934344623 Energy: 0.785447655968912 Energy: 0.7934322027359408 Energy: 0.7872676850465727 Energy: 0.7844719555834422 Energy: 0.8028364784680181 Energy: 0.7848349157271773 Energy: 0.7932984678480801 Energy: 0.8164080786836527 Energy: 0.7941895784476891 Energy: 0.7964262517552513 Energy: 0.8032895589427682 Energy: 0.794745485903705 Energy: 0.8093355009176261 Energy: 0.7785282037318682 Energy: 0.7765599102265668 Energy: 0.786544189362318 Energy: 0.8312119865176387 Energy: 0.7789780860900228 Energy: 0.7985677910549491 Energy: 0.7858199804689449 Energy: 0.8331817869674097 Energy: 0.7852807433954829 Energy: 0.8228985487643362 Energy: 0.9237656631807899 Energy: 0.7857159232867216 Energy: 0.806644232888608 Energy: 0.7847638887130379 Energy: 0.8439618149471061 Energy: 0.7853287230824757 Energy: 0.7847180375279391 Energy: 0.7887907332271723 Energy: 0.7843130823394252 Energy: 0.843114531767009 Energy: 0.7853387955898377 Energy: 0.7847025552615587 Energy: 0.7879967519670263 Energy: 0.7843756960193833 Energy: 0.7793618919213898 Energy: 0.7790883844559028 Energy: 0.8486608652330445 Energy: 0.7810680515513351 Energy: 0.7854145863256947 Energy: 0.78403584117013 Energy: 0.7894588161480748 Energy: 0.8254427472128649 Energy: 0.7795455216613251 Energy: 0.786069679360775 Energy: 0.7892950074691472 Energy: 0.7831879137928097 Energy: 0.7847497854957178 Energy: 0.8315701567987603 Energy: 0.8261257659699505 Energy: 0.8442457100429023 Energy: 0.7829808351048375 Energy: 0.8106503593128171 Energy: 0.8041956403213416 Energy: 0.7854468129381456 Energy: 0.7809852476674002 Energy: 0.7887763413626323 Energy: 0.783974284239461 Energy: 0.7889185567564917 Energy: 0.785939300155213 Energy: 0.785985616708208 Energy: 0.7882454588531299 Energy: 0.7896513375018258 Energy: 0.7867804441733233 Energy: 0.8124463755313633 Energy: 0.7923633496600321 Energy: 0.7843262074686952 Energy: 0.8103605223038138 Energy: 0.7799439924397824 Energy: 0.8128900483697298 Energy: 0.8107905495560556 Energy: 0.7842175490616848 Energy: 0.7914358824102486 Energy: 0.780844744376059 Energy: 0.813747671665554 Energy: 0.7837028609318287 Energy: 0.7859181927034536 Energy: 0.7974699135013401 Energy: 0.8169317325019184 Energy: 0.8479411991440479 Energy: 0.7844516433181116 Energy: 0.8136818659265024 Energy: 0.7933829332778654 Energy: 0.7949563371769056 Energy: 0.802164512469257 Energy: 0.7848146774318542 Energy: 0.7848805311099248 Energy: 0.7834191120477536 Energy: 0.796861685235422 Energy: 0.7991312680686471 Energy: 0.7846079686615302 Energy: 0.7856195171304619 Energy: 0.7912239594252007 Energy: 0.7967035150573464 Energy: 0.790997715386613 Energy: 0.7816721907277655 Energy: 0.7930021336276518 Energy: 0.7929514674452889 Energy: 0.7859566503531851 Energy: 0.7846316142681398 Energy: 0.782311470683591 Energy: 0.7916657901313661 Energy: 0.7780177858058591 Energy: 0.842926995730591 Energy: 0.7798214994218194 Energy: 0.7869360480550953 Energy: 0.8124403879249495 Energy: 0.7850301768051845 Energy: 0.8341214819590596 Energy: 0.7797200043504365 Energy: 0.786378992625702 Energy: 0.7905210724544873 Energy: 0.7844051127457229 Energy: 0.8067697100293965 Energy: 0.8266986474746211 Energy: 0.846816619470777 Energy: 0.8213246239013191 Energy: 0.814135141367122 Energy: 0.8036676549802624 Energy: 0.8267930919198735 Energy: 0.801768333766743 Energy: 0.8256977096268303 Energy: 0.814048672087683 Energy: 0.8428313249891524 Energy: 0.8194787341905724 Energy: 0.784445313849619 Energy: 0.7906600482683342 Energy: 0.7998811006544834 Energy: 0.7929095857846526 Energy: 0.7790356094969237 Energy: 0.7843014713980773 Energy: 0.8007555030368458 Energy: 0.7999325201619985 Energy: 0.7930586869909344 Energy: 0.7854841249634532 Energy: 0.7856650004407346 Energy: 0.7851965812951835 Energy: 0.7849535484703585 Energy: 0.7923852288125006 Energy: 0.7867583901672951 Energy: 0.7856153375250602 Energy: 0.785552382476426 Energy: 0.785400023155357 Energy: 0.792286481626758 Energy: 0.7839493797424373 Energy: 0.799722143613749 Energy: 0.7842374596591224 Energy: 0.7878504090854802 Energy: 0.7848383249663025 Energy: 0.817487180243374 Energy: 0.7832192562101952 Energy: 0.783671741114675 Energy: 0.7874934176519448 Energy: 0.7873436230967393 Energy: 0.7834527286167858 Energy: 0.8161871082729412 Energy: 0.8086167576619819 Energy: 0.7963358643721798 Energy: 0.7994732408128373 Energy: 0.7789244576608741 Energy: 0.7813581835443062 Energy: 0.8233136710276878 Energy: 0.8024556780465092 Energy: 0.7999631099659434 Energy: 0.7860705337810522 Energy: 0.8159688787839409 Energy: 0.7844113527576098 Energy: 0.7967534412132962 Energy: 0.7841606544091195 Energy: 0.7861012179715382 Energy: 0.8157104395161706 Energy: 0.7842153919451137 Energy: 0.8325003555916364 Energy: 0.7839768768525205 Energy: 0.7834234098435129 Energy: 0.7965416893530805 Energy: 0.7918954375341116 Energy: 0.7928799989091813 Energy: 0.7801849605307597 Energy: 0.7898340567974598 Energy: 0.7962585242555349 Energy: 0.7920405365067503 Energy: 0.7878975599956292 Energy: 0.7818253621561441 Energy: 0.7789214184780976 Energy: 0.7852571631853019 Energy: 0.7887718876277684 Energy: 0.8261034227770049 Energy: 0.8157047742671434 Energy: 0.7785310973115562 Energy: 0.7851132018568531 Energy: 0.7883096268431651 Energy: 0.829984502209955 Energy: 0.8094247804044726 Energy: 0.8032989587595815 Energy: 0.7861309787198851 Energy: 0.8095549182068252 Energy: 0.7865458409560464 Energy: 0.7766309493945607 Energy: 0.8025642757163312 Energy: 0.78528332153305 Energy: 0.8045580588087348 Energy: 0.7868545842455651 Energy: 0.7775475447837924 Energy: 0.7863223199743332 Energy: 0.8139447525078274 Energy: 0.8042362201850057 Energy: 0.7889655790000286 Energy: 0.7936910611608818 Energy: 0.8069178939271126 Energy: 0.8254162129694526 Energy: 0.7858317282656049 Energy: 0.7863437762289378 Energy: 0.7932360189615588 Energy: 0.7857692649388432 Energy: 0.8041249779806017 Energy: 0.7860061762158482 Energy: 0.7972718193625549 Energy: 0.7854506914126871 Energy: 0.7858589081286179 Energy: 0.7812583073403682 Energy: 0.7858225751618011 Energy: 0.8107232191075475 Energy: 0.7855381860461804 Energy: 0.7846717905667104 Energy: 0.8415250557203978 Energy: 0.826630526356564 Energy: 0.7983494270902586 Energy: 0.7842840721242605 Energy: 0.7839119546357349 Energy: 0.8030131919137065 Energy: 0.7858127177140696 Energy: 0.7935320448233625 Energy: 0.7846289385751808 Energy: 0.8057845007551381 Energy: 0.7964904957295393 Energy: 0.8092186179528997 Energy: 0.77923881879813 Energy: 0.7852528063265088 Energy: 0.7816784599529953 Energy: 0.7803485484312618 Energy: 0.8081450259231324 Energy: 0.7789663919481317 Energy: 0.7853857034936185 Energy: 0.7835672265972363 Energy: 0.7897439157198483 Energy: 0.8202508249427294 Energy: 0.7892181246961458 Energy: 0.7830415567196317 Energy: 0.7832606837889363 Energy: 0.7898134178925985 Energy: 0.8198885063582971 Energy: 0.7896202566744623 Energy: 0.7831570757029346 Energy: 0.7894451816793203 Energy: 0.8022159008911751 Energy: 0.7869845370153753 Energy: 0.7859811212307115 Energy: 0.7848041860886177 Energy: 0.7832310042061849 Energy: 0.820969946065864 Energy: 0.7888088604998206 Energy: 0.8097672156890606 Energy: 0.7842897914661819 Energy: 0.8059684686390374 Energy: 0.7894824110305552 Energy: 0.7861415514722196 Energy: 0.7859621991841054 Energy: 0.7848572724517213 Energy: 0.7946189181328924 Energy: 0.7894003733155293 Energy: 0.8354148664684997 Energy: 0.7857294706729243 Energy: 0.7806804577219978 Energy: 0.7788648247499571 Energy: 0.7971427653701654 Energy: 0.832757684220275 Energy: 0.7852566142995037 Energy: 0.7863743931376678 Energy: 0.7837250377025863 Energy: 0.79711742863551 Energy: 0.840639375829056 Energy: 0.785411771516846 Energy: 0.7857630620988163 Energy: 0.8174898575158058 Energy: 0.7979946447322223 Energy: 0.821771570782642 Energy: 0.8295468086747801 Energy: 0.7780415884606837 Energy: 0.8164369010050934 Energy: 0.7991747822169483 Energy: 0.8247346391226515 Energy: 0.8105518547648056 Energy: 0.7781565778416798 Energy: 0.8209884019885975 Energy: 0.7902132727632206 Energy: 0.7848211364044823 Energy: 0.7838791934001441 Energy: 0.791957001248021 Energy: 0.7784346511220089 Energy: 0.7886802144443674 Energy: 0.78491034395064 Energy: 0.7839501176771183 Energy: 0.7878201939597499 Energy: 0.784705740424366 Energy: 0.8332051098242488 Energy: 0.7809250095914078 Energy: 0.7863739804962725 Energy: 0.7861667238209877 Energy: 0.7844424607439279 Energy: 0.8086952984260584 Energy: 0.7811953322610324 Energy: 0.7954032307078991 Energy: 0.7863339773975629 Energy: 0.8135231073181601 Energy: 0.7959073186305474 Energy: 0.826994419524139 Energy: 0.7903629929920246 Energy: 0.7816754769977254 Energy: 0.8135468577030656 Energy: 0.7956862071693407 Energy: 0.8269021615342123 Energy: 0.7902274469390997 Energy: 0.7802215046978079 Energy: 0.780968064792876 Energy: 0.785646440928486 Energy: 0.7792098967024622 Energy: 0.8392565623153739 Energy: 0.8101573587636415 Energy: 0.7806547115694292 Energy: 0.7852884189797017 Energy: 0.7793287902676611 Energy: 0.7959867970592783 Energy: 0.7857615870668234 Energy: 0.7848641482040823 Energy: 0.7865135878374148 Energy: 0.8297045476145184 Energy: 0.8215874252108863 Energy: 0.7851407367068859 Energy: 0.7850634062733909 Energy: 0.7813396134779474 Energy: 0.7852666023571894 Energy: 0.7849662663341994 Energy: 0.7846660986880905 Energy: 0.7853108954472835 Energy: 0.784914794294622 Energy: 0.8363938935156414 Energy: 0.7779176907193429 Energy: 0.7796915261135398 Energy: 0.7852304164901567 Energy: 0.7842070391654937 Energy: 0.822319260890311 Energy: 0.7793416958460138 Energy: 0.801407560074765 Energy: 0.8544107686252619 Energy: 0.8168185411225328 Energy: 0.8122969328176127 Energy: 0.8018671328958487 Energy: 0.8249326804825193 Energy: 0.8131610210250764 Energy: 0.8170100680673729 Energy: 0.7791554616382208 Energy: 0.7842776894671787 Energy: 0.7998437584803981 Energy: 0.7986649171187293 Energy: 0.7845171410249719 Energy: 0.8049780139457526 Energy: 0.816369825371826 Energy: 0.782055387891698 Energy: 0.8004947762013374 Energy: 0.7853183747277243 Energy: 0.8250330130101355 Energy: 0.7914168950706929 Energy: 0.7839392198717702 Energy: 0.7849029445319384 Energy: 0.7756232131231223 Energy: 0.82679831198754 Energy: 0.7901052470575516 Energy: 0.7928612362800147 Energy: 0.7844098857414104 Energy: 0.7782244654979416 Energy: 0.7909583984496978 Energy: 0.7965160306194937 Energy: 0.7916515464570179 Energy: 0.7850734745462877 Energy: 0.7860223673860707 Energy: 0.7866121260381627 Energy: 0.7847793928350637 Energy: 0.7909712603502586 Energy: 0.7846171737407802 Energy: 0.7843640436543611 Energy: 0.7861523663126522 Energy: 0.7849983329559226 Energy: 0.7894609829900301 Energy: 0.8165044087847867 Energy: 0.8077005427477385 Energy: 0.8041340429921318 Energy: 0.7850984856208043 Energy: 0.8737385813367199 Energy: 0.8144122551024195 Energy: 0.7849998551100208 Energy: 0.8189350271245986 Energy: 0.7849442359696325 Energy: 0.8034210907383753 Energy: 0.7878367696582754 Energy: 0.7970176430151904 Energy: 0.8233042522300689 Energy: 0.8048104075787837 Energy: 0.7865199510672599 Energy: 0.7798966602938306 Energy: 0.7978020355045066 Energy: 0.8392559142043974 Energy: 0.8055653636320781 Energy: 0.832631086652311 Energy: 0.783480226538461 Energy: 0.7853606264733475 Energy: 0.7871890813451445 Energy: 0.7817048850702933 Energy: 0.7836800215206482 Energy: 0.7885294671167277 Energy: 0.7847651380773973 Energy: 0.7879550412166044 Energy: 0.7890755170991729 Energy: 0.7841059591368758 Energy: 0.7935486779193189 Energy: 0.8067802551509986 Energy: 0.784096037219445 Energy: 0.8807037918824905 Energy: 0.897863047040043 Energy: 0.7788554622370292 Energy: 0.804905012828417 Energy: 0.7840497399059845 Energy: 0.8024567528869412 Energy: 0.9016359470688643 Energy: 0.7780185940879755 Energy: 0.8137553405967735 Energy: 0.7958209497071446 Energy: 0.7843731511389996 Energy: 0.8081928742070357 Energy: 0.7792405952552406 Energy: 0.81382646636216 Energy: 0.7953605182110166 Energy: 0.7834483421010796 Energy: 0.8088488508100312 Energy: 0.7887296737730071 Energy: 0.783800689626962 Energy: 0.7839060243099227 Energy: 0.8461395218179499 Energy: 0.7881722203234246 Energy: 0.7888660453775713 Energy: 0.7836721627086827 Energy: 0.7758489828682092 Energy: 0.8468994226326952 Energy: 0.7842508297361338 Energy: 0.7866755944207816 Energy: 0.7899263495494482 Energy: 0.8049799752778488 Energy: 0.7852302352762247 Energy: 0.7952563341309249 Energy: 0.8171837427462625 Energy: 0.7891179409642777 Energy: 0.7835440576936489 Energy: 0.7779289314373116 Energy: 0.7881324762573793 Energy: 0.7868388587157487 Energy: 0.7776090582824171 Energy: 0.8063448984479392 Energy: 0.8257181787169601 Energy: 0.79218687628512 Energy: 0.8142850861876094 Energy: 0.7780396838814572 Energy: 0.779981387220494 Energy: 0.7869505061021552 Energy: 0.7842769299052817 Energy: 0.784822817808743 Energy: 0.7855427661019024 Energy: 0.7832574735489088 Energy: 0.7965189869760549 Energy: 0.7857129334110796 Energy: 0.786682835883149 Energy: 0.7780947137242484 Energy: 0.7836862040303948 Energy: 0.7961752337026134 Energy: 0.7838294001571453 Energy: 0.8227967207287636 Energy: 0.78052190822923 Energy: 0.7977674071219696 Energy: 0.7975894119139787 Energy: 0.8109766568321126 Energy: 0.814415665257877 Energy: 0.7796257605564731 Energy: 0.7768197911003926 Energy: 0.7831517351281329 Energy: 0.8110273608982932 Energy: 0.7807223090206536 Energy: 0.7876772086612714 Energy: 0.8083779809846886 Energy: 0.7883944301362839 Energy: 0.787074175928512 Energy: 0.7809583700715499 Energy: 0.7822917009167709 Energy: 0.8098516547750824 Energy: 0.786468769235765 Energy: 0.785164009805053 Energy: 0.7860242454811106 Energy: 0.7849439418568095 Energy: 0.7864000065719703 Energy: 0.8127240476851583 Energy: 0.7763168410011465 Energy: 0.7793294190862559 Energy: 0.786880314130058 Energy: 0.7907256433072016 Energy: 0.7791891145658597 Energy: 0.7806700696962282 Energy: 0.7810541755679558 Energy: 0.7825935065958183 Energy: 0.8172529523332461 Energy: 0.7804925841998962 Energy: 0.7858849968459029 Energy: 0.7734922303416433 Energy: 0.7759312309837173 Energy: 0.8132137074846016 Energy: 0.7905844329708913 Energy: 0.7894331721474169 minimum gb energy = 0.7734922303416433 eV minimum distance = 2.23964623584183 Angstroms sigma value = 219 ======================================== theta = 78.46304096718453 ======================================== Energy: 1.3795150987074718 Energy: 1.026712894498664 Energy: 1.0384055560051972 Energy: 0.9797389158538972 Energy: 1.0770773376435878 Energy: 0.9708065148695889 Energy: 1.0283264560413732 Energy: 1.0328223130418877 Energy: 1.0280717031670172 Energy: 1.0694697200629808 Energy: 1.0583108238627055 Energy: 0.9796281070658845 Energy: 0.9804831770071362 Energy: 0.9799926707405331 Energy: 1.0762009889532502 Energy: 1.0385403587286772 Energy: 0.9791576259802827 Energy: 0.9796797643884703 Energy: 0.9807201550936522 Energy: 1.1079523885441223 Energy: 1.0715067003137537 Energy: 0.9803880362842707 Energy: 0.9789301076427628 Energy: 1.0022655437044667 Energy: 1.034903579244949 Energy: 1.0758204180864326 Energy: 0.9802645309063385 Energy: 0.9792366275002238 Energy: 0.9803237695164116 Energy: 1.022680742681082 Energy: 1.0319323085254573 Energy: 1.0409937356256591 Energy: 0.9794827463172592 Energy: 1.025811792983245 Energy: 0.9976544223904918 Energy: 1.042657373738537 Energy: 1.042901874147987 Energy: 0.9794810612842693 Energy: 1.0259073023584784 Energy: 1.0374393465246319 Energy: 1.0344804770824299 Energy: 1.0268156357087321 Energy: 0.9767749372150973 Energy: 1.035636909424383 Energy: 1.042925413842119 Energy: 1.034391782576392 Energy: 0.9920640292330427 Energy: 0.976261178898634 Energy: 1.029346879463528 Energy: 1.0836863943334907 Energy: 1.0324370445478026 Energy: 1.0524116332279039 Energy: 1.0273042935853007 Energy: 1.0555365840031141 Energy: 1.0747179855393867 Energy: 1.0322967568868693 Energy: 1.0526415573447268 Energy: 1.027010561117676 Energy: 1.032044164851105 Energy: 1.07269121848908 Energy: 1.1373624339524624 Energy: 1.0769772895918557 Energy: 1.0722622890250695 Energy: 1.0274830505457684 Energy: 1.107128720500177 Energy: 0.9768106842427915 Energy: 1.0685610481553973 Energy: 1.0717777843836551 Energy: 1.0245372264560804 Energy: 1.1056176224090872 Energy: 1.0733759868081287 Energy: 0.972372493000296 Energy: 1.0324134166592414 Energy: 1.052834479549401 Energy: 1.039650078999558 Energy: 1.0716033682693449 Energy: 0.9729566158538145 Energy: 1.0326344945806534 Energy: 1.052286474715048 Energy: 1.0414154549078365 Energy: 1.1237716733662708 Energy: 1.039592010440431 Energy: 1.0704129040221024 Energy: 1.045044191462345 Energy: 1.034594087981935 Energy: 1.122899636959065 Energy: 1.0431258235326843 Energy: 0.9787058293660569 Energy: 1.0448420237396145 Energy: 1.0345698881478873 minimum gb energy = 0.9708065148695889 eV minimum distance = 2.29370983316579 Angstroms sigma value = 15 ======================================== theta = 88.83061719438597 ======================================== Energy: 1.592517787045825 Energy: 1.131024017369438 Energy: 1.1161971332598057 Energy: 1.0907417035216853 Energy: 1.2453650125088067 Energy: 1.1008768891065812 Energy: 1.1294847485498987 Energy: 1.116446581422219 Energy: 1.1239135998430934 Energy: 1.2470017936699138 Energy: 1.0900019047700682 Energy: 1.0891569413471194 Energy: 1.101386035669434 Energy: 1.1039487335149847 Energy: 1.0899396289376033 Energy: 1.1538623665446972 Energy: 1.088596070387266 Energy: 1.1029777661482485 Energy: 1.1023024536119357 Energy: 1.0882656550597258 Energy: 1.1549643374722034 Energy: 1.089023663044956 Energy: 1.088568084346645 Energy: 1.1864595109767888 Energy: 1.1520894843655822 Energy: 1.196159216580119 Energy: 1.0891104416865385 Energy: 1.0882490819622563 Energy: 1.105841839032352 Energy: 1.1523875878748038 Energy: 1.2242896507693501 Energy: 1.0785667261456615 Energy: 1.1519671373450038 Energy: 1.1938939108047888 Energy: 1.155719230647037 Energy: 1.2235118798315108 Energy: 1.0783809888696434 Energy: 1.1519978572793967 Energy: 1.2275310580972338 Energy: 1.1599674697184583 Energy: 1.0932451142372621 Energy: 1.2190085850585604 Energy: 1.072103058319559 Energy: 1.1013481485508614 Energy: 1.0877547669651488 Energy: 1.0921579125960044 Energy: 1.0956999894807447 Energy: 1.0727441244944447 Energy: 1.1365489270471973 Energy: 1.0885315215348792 Energy: 1.0899464015632947 Energy: 1.0894107511839475 Energy: 1.1490546875401233 Energy: 1.0995378038338994 Energy: 1.0888960676857384 Energy: 1.0904200977399243 Energy: 1.0887568516401698 Energy: 1.162032532365845 Energy: 1.098706812866529 Energy: 1.0880745383726425 Energy: 1.2183943903049563 Energy: 1.081588760729151 Energy: 1.1296343456257536 Energy: 1.093414383509374 Energy: 1.0997798558292418 Energy: 1.146041431285696 Energy: 1.1834387553235448 Energy: 1.1329072419854005 Energy: 1.103946884500062 Energy: 1.1002157841674387 Energy: 1.125164234312776 Energy: 1.1305297730040993 Energy: 1.107161716146455 Energy: 1.1285019656006317 Energy: 1.127901634074583 Energy: 1.1643194109217079 Energy: 1.0954628968487128 Energy: 1.1060010178785398 Energy: 1.1270663940831138 Energy: 1.1268768274076117 Energy: 1.1567535234791082 Energy: 1.192660624100981 Energy: 1.1293936653742898 Energy: 1.1180999415923703 Energy: 1.1021338244207712 Energy: 1.1039013849300914 Energy: 1.1926323655685058 Energy: 1.1282845231838619 Energy: 1.1823676694041165 Energy: 1.1708701488814122 Energy: 1.2343549630243202 Energy: 1.073290911159541 Energy: 1.157278568532936 Energy: 1.129268412904585 Energy: 1.1623882468624251 Energy: 1.2306217974624327 Energy: 1.1168995754651574 Energy: 1.1059348928128367 Energy: 1.1287967609611997 Energy: 1.1627864491539608 Energy: 1.096399153716547 Energy: 1.147093225869323 Energy: 1.1631846279068052 Energy: 1.1591303595632356 Energy: 1.1939654758175808 Energy: 1.0893430319987711 Energy: 1.181218868351774 Energy: 1.0728954314094523 Energy: 1.072925975375292 Energy: 1.1951353998421579 Energy: 1.0732290979471033 Energy: 1.076395839716621 Energy: 1.1325648540036148 Energy: 1.1753785363500515 Energy: 1.0733025860985643 Energy: 1.0738377643340364 Energy: 1.0766993596069814 Energy: 1.1308135094140255 Energy: 1.0760866510018583 Energy: 1.074172827907192 Energy: 1.0747732025273982 Energy: 1.1589380322103429 Energy: 1.084204779749037 Energy: 1.1283220358956383 Energy: 1.0735782255620252 Energy: 1.0754775972621378 Energy: 1.2427872246696845 Energy: 1.1824810990753025 Energy: 1.1301117157627902 Energy: 1.0727999675238962 Energy: 1.1931881126051398 Energy: 1.2283720772499287 Energy: 1.1744910208150434 Energy: 1.0892835941793302 Energy: 1.0726324591051393 Energy: 1.1916046261113116 Energy: 1.2310665147735294 Energy: 1.1278615587750094 Energy: 1.0963661277326564 Energy: 1.3299077587129144 Energy: 1.0914348967967036 Energy: 1.1316968119785933 Energy: 1.154403472430082 Energy: 1.1929181052541713 Energy: 1.073187683099336 Energy: 1.0960548299369501 Energy: 1.130686709529327 Energy: 1.1551599300692732 Energy: 1.199942850724613 Energy: 1.0728208151890224 Energy: 1.1133335683007286 Energy: 1.10071257831966 Energy: 1.1286042128138376 Energy: 1.1768909616857826 Energy: 1.0876590504239712 Energy: 1.1128080821326898 Energy: 1.1098576954687354 Energy: 1.127538914522572 Energy: 1.1916051261370177 Energy: 1.0884602132071912 Energy: 1.1280543176933342 Energy: 1.1958660170004975 Energy: 1.1287548423928515 Energy: 1.0731285816994287 Energy: 1.1987275175584189 Energy: 1.1289198485366632 Energy: 1.1952497971643723 Energy: 1.127180123560068 Energy: 1.0722260703781787 Energy: 1.1952291975980929 Energy: 1.113192217517495 Energy: 1.1006372651669964 Energy: 1.104814003049679 Energy: 1.1038348712197275 Energy: 1.0908158729782487 Energy: 1.1022142690554344 Energy: 1.1023485438607143 Energy: 1.124093112604312 Energy: 1.104685323298285 Energy: 1.0906232287678213 Energy: 1.0898264345531616 Energy: 1.1016910982935129 Energy: 1.1031716150922606 Energy: 1.186894571694029 Energy: 1.0890896748681713 Energy: 1.0902583467303524 Energy: 1.0999157798984525 Energy: 1.104822834900097 Energy: 1.1858945104522958 Energy: 1.0889602246071621 Energy: 1.0816920778735726 Energy: 1.1937597951063523 Energy: 1.1130129266656286 Energy: 1.118635028762113 Energy: 1.1688238557462738 Energy: 1.0889084944499718 Energy: 1.193595327079136 Energy: 1.1332393644895007 Energy: 1.0960468672268897 Energy: 1.1660755900293645 Energy: 1.3470213916891676 Energy: 1.123750890625543 Energy: 1.0886427303415855 Energy: 1.0902835710717385 Energy: 1.228193771688598 Energy: 1.0734095931223298 Energy: 1.1230296682281367 Energy: 1.088052774609321 Energy: 1.09007764852046 Energy: 1.2168404803588733 Energy: 1.0889331353325924 Energy: 1.1005806056380212 Energy: 1.0928605249181076 Energy: 1.0892326446102287 Energy: 1.152101164495602 Energy: 1.0887089207690643 Energy: 1.099927623885075 Energy: 1.091111098470077 Energy: 1.0895092548210394 Energy: 1.151728459272643 Energy: 1.1942721624391193 Energy: 1.0897907846341621 Energy: 1.098950083839778 Energy: 1.1160723963110784 Energy: 1.2072929306548614 Energy: 1.128362441374796 Energy: 1.0908630384012783 Energy: 1.0991778354747783 Energy: 1.1062834288902048 Energy: 1.2080603240196994 Energy: 1.0897426600433353 Energy: 1.1001881882434212 Energy: 1.1288776919737733 Energy: 1.1272899433278336 Energy: 1.156642707433576 Energy: 1.1072198475135835 Energy: 1.0999251049733187 Energy: 1.1446864498696983 Energy: 1.1282831577870884 Energy: 1.147543938186462 Energy: 1.155724740395383 Energy: 1.135468275668426 Energy: 1.0989194977332923 Energy: 1.148165666278416 Energy: 1.1523707243956176 Energy: 1.1554900984666898 Energy: 1.1254047869720767 Energy: 1.0990252521918715 Energy: 1.140937556600925 Energy: 1.1916179419299293 Energy: 1.2083285471990148 Energy: 1.1313798524402845 Energy: 1.174607228051687 Energy: 1.0993849553311448 Energy: 1.1609973438244094 Energy: 1.1581861047295294 Energy: 1.130743559118367 Energy: 1.1158178638417424 Energy: 1.0982472802936927 Energy: 1.1828187198304219 Energy: 1.1659544531546617 Energy: 1.0979127627756502 Energy: 1.180897147651334 Energy: 1.0906031758755586 Energy: 1.1211343088767127 Energy: 1.0726081159790413 Energy: 1.0736495060123128 Energy: 1.181434885289975 Energy: 1.0886466379310178 Energy: 1.18050284796038 Energy: 1.1269253003460238 Energy: 1.1095003204198768 Energy: 1.0730297443012655 Energy: 1.0761634650077108 Energy: 1.0748541622164203 Energy: 1.1283284932055722 Energy: 1.1044979173804614 Energy: 1.0727557721191778 Energy: 1.0739233465355849 Energy: 1.075090654877378 Energy: 1.0969106030314062 Energy: 1.1644142825697075 Energy: 1.079190139660633 Energy: 1.0741064314414643 Energy: 1.0743152222261705 Energy: 1.1464148257479951 Energy: 1.1930346124643376 Energy: 1.0762289041984712 Energy: 1.0741908613560756 Energy: 1.074349831701541 Energy: 1.2028230063512075 Energy: 1.2678545125258875 Energy: 1.1622933208749482 Energy: 1.1160448998848842 Energy: 1.1951637719619401 Energy: 1.1582253307381192 Energy: 1.2643964539005235 Energy: 1.2198457473385131 Energy: 1.1166409799653605 Energy: 1.2038756136262456 Energy: 1.127175139739548 Energy: 1.1947049697513754 Energy: 1.1445421771947142 Energy: 1.0734066859679523 Energy: 1.2105529066683913 Energy: 1.1271382185859007 Energy: 1.15338611522724 Energy: 1.1196047477250808 Energy: 1.087325914759819 Energy: 1.1330638435491454 Energy: 1.1400005636525299 Energy: 1.1558558752410886 Energy: 1.0883616221163437 Energy: 1.1297665056676942 Energy: 1.101685605295065 Energy: 1.1399888357095311 Energy: 1.156361162849364 Energy: 1.0882226040508098 Energy: 1.1296771403645207 Energy: 1.1014824236369831 Energy: 1.1015960172096766 Energy: 1.228354755689919 Energy: 1.1566729993937857 Energy: 1.1371555902146349 Energy: 1.1998617143363979 Energy: 1.1118719812523998 Energy: 1.073017524312604 Energy: 1.2224656283833908 Energy: 1.1360259481391246 Energy: 1.1970390148180425 Energy: 1.104426100694169 Energy: 1.1028821941662972 Energy: 1.1100023680465412 Energy: 1.1148537980634299 Energy: 1.0984080487221783 Energy: 1.1096021088562362 Energy: 1.1488661304051904 Energy: 1.1052768431813256 Energy: 1.1138943451046892 Energy: 1.103867297551907 Energy: 1.1202038397476504 Energy: 1.1035935132295545 Energy: 1.1247751118833236 Energy: 1.0916969173823659 Energy: 1.1040982683294396 Energy: 1.1209807807384387 Energy: 1.0899645875510726 Energy: 1.0904199073144647 Energy: 1.089502003105814 Energy: 1.101859269042288 Energy: 1.1948259767964904 Energy: 1.0884235351797602 Energy: 1.2006228911250296 Energy: 1.093327745234737 Energy: 1.1837182502534351 Energy: 1.0717732478862387 Energy: 1.0881946611068243 Energy: 1.1998453533415623 Energy: 1.0971136784543094 Energy: 1.182574068693891 Energy: 1.1830453106022152 Energy: 1.104048782092282 Energy: 1.1855646952447367 Energy: 1.094108419539416 Energy: 1.073229676555186 Energy: 1.1829577373138467 Energy: 1.0926902655518598 Energy: 1.1836626502012184 Energy: 1.335948009407492 Energy: 1.0864449839966244 Energy: 1.1008661219737799 Energy: 1.0895156834441624 Energy: 1.0900978968621755 Energy: 1.0895839067956623 Energy: 1.1011187610377322 Energy: 1.1027592598293554 Energy: 1.0916738974812323 Energy: 1.1542085994395601 Energy: 1.1027872119568003 Energy: 1.1006434520512174 Energy: 1.099624827814118 Energy: 1.1136190212088422 Energy: 1.2226702211104428 Energy: 1.1353329263557825 Energy: 1.1261539143136658 Energy: 1.0986343681827047 Energy: 1.115031043004284 Energy: 1.159463445759468 Energy: 1.1532113356866982 Energy: 1.0914461711871934 Energy: 1.1994209642465812 Energy: 1.1361400120805314 Energy: 1.1318385829362612 Energy: 1.2146248982706795 Energy: 1.1124351817863998 Energy: 1.1976242753195963 Energy: 1.127880221224496 Energy: 1.0853455896912825 Energy: 1.2253228131822405 Energy: 1.1008748623433628 Energy: 1.1229536614498912 Energy: 1.1135258885510213 Energy: 1.0883202158241208 Energy: 1.155672679794512 Energy: 1.1378486182503165 Energy: 1.122661459733743 Energy: 1.1714475223610321 Energy: 1.0893514511616729 Energy: 1.1553114251967955 Energy: 1.1383665479679081 Energy: 1.210615269647112 Energy: 1.0898792704272242 Energy: 1.1042204697754803 Energy: 1.155469080637429 Energy: 1.126865890457899 Energy: 1.2065209386401328 Energy: 1.099810674520531 Energy: 1.1031778261370058 Energy: 1.1957865834147652 Energy: 1.126949891194986 Energy: 1.2317516648837055 Energy: 1.1834383068297216 Energy: 1.1497667995494947 Energy: 1.17852195515107 Energy: 1.1779935766101803 Energy: 1.2367917977202245 Energy: 1.1841015634542937 Energy: 1.169213436892574 Energy: 1.2051068572710895 Energy: 1.178433470252047 Energy: 1.0745236482868976 Energy: 1.074035321044251 Energy: 1.076094303583479 Energy: 1.1635627873187728 Energy: 1.0876543793558864 Energy: 1.0745324740543825 Energy: 1.0738936030352166 Energy: 1.0784195196832398 Energy: 1.1546981903932165 Energy: 1.0877403828811438 Energy: 1.0747879168322874 Energy: 1.0751275002187721 Energy: 1.0733938238297238 Energy: 1.0955963899551509 Energy: 1.1276645623227044 Energy: 1.0749076781632594 Energy: 1.074532025449499 Energy: 1.0731012799728241 Energy: 1.0982311529052047 Energy: 1.130147511349366 Energy: 1.1778253861282728 Energy: 1.0924015141779102 Energy: 1.1805201129847878 Energy: 1.086920458096848 Energy: 1.1229782515951716 Energy: 1.1217748762583684 Energy: 1.151698559901948 Energy: 1.1797707022362764 Energy: 1.0906116322277262 Energy: 1.121988644343404 Energy: 1.1801328522912755 Energy: 1.0744028903578937 Energy: 1.1152368843332707 Energy: 1.131146624782085 Energy: 1.1584617960679666 Energy: 1.1438136390516778 Energy: 1.0761632091525175 Energy: 1.1690669362651533 Energy: 1.1631792350519676 Energy: 1.1586046056133035 Energy: 1.1919719932443786 Energy: 1.1408462124861312 Energy: 1.098704558780691 Energy: 1.1237709460917902 Energy: 1.1557810183262793 Energy: 1.1843689813427607 Energy: 1.1411395656325738 Energy: 1.098499106911858 Energy: 1.1342585862888916 Energy: 1.155924425675702 Energy: 1.0786553002144306 Energy: 1.1282171707310606 Energy: 1.0907129503342696 Energy: 1.0992941743908127 Energy: 1.1071727383310463 Energy: 1.1777006232096179 Energy: 1.127811008365024 Energy: 1.092207166000782 Energy: 1.1001026764772026 Energy: 1.072964405010894 minimum gb energy = 1.0717732478862387 eV minimum distance = 2.19781012660455 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.4966539085441235 Energy: 1.1471078288505865 Energy: 1.1275247503621764 Energy: 1.0899708918886413 Energy: 1.1943680087237385 Energy: 1.0473282348677866 Energy: 1.1470378436067963 Energy: 1.1291366443166966 Energy: 1.0915911121525648 Energy: 1.1943368024338386 Energy: 1.1368023540244272 Energy: 1.0742122348943242 Energy: 1.0914389194561485 Energy: 1.0928284325711812 Energy: 1.146379520908309 Energy: 1.1577127669872893 Energy: 1.0731769445323336 Energy: 1.0900263087100597 Energy: 1.0931524767051275 Energy: 1.0759836680907962 Energy: 1.1817653903842573 Energy: 1.0933251278327032 Energy: 1.0728216593005349 Energy: 1.175438830910763 Energy: 1.0842372221796834 Energy: 1.2027639674011337 Energy: 1.0752025168478676 Energy: 1.0735119329053429 Energy: 1.178972403191731 Energy: 1.0842925895788111 Energy: 1.1892637455170991 Energy: 1.0776470850547888 Energy: 1.0779698575088745 Energy: 1.2031907777394857 Energy: 1.0849881737082485 Energy: 1.1900189299134356 Energy: 1.0493801981267246 Energy: 1.0788155743046444 Energy: 1.178710256791984 Energy: 1.0837565079340674 Energy: 1.0917801864686367 Energy: 1.0492013270215128 Energy: 1.0484359722605023 Energy: 1.185939378567543 Energy: 1.0737123142556473 Energy: 1.0920357377473748 Energy: 1.0780857946144098 Energy: 1.0494460218603823 Energy: 1.0738415383471904 Energy: 1.0748231577190968 Energy: 1.0739864364029883 Energy: 1.1226783710337147 Energy: 1.1334310655714257 Energy: 1.0887701447827145 Energy: 1.0735706223207258 Energy: 1.0743382986527115 Energy: 1.1228231344923763 Energy: 1.0904498021257512 Energy: 1.0884968952979217 Energy: 1.0731404823141157 Energy: 1.1839412761346246 Energy: 1.0691510832223812 Energy: 1.092246936116762 Energy: 1.091237612178679 Energy: 1.0894175974811773 Energy: 1.1866578720224004 Energy: 1.1303499078403487 Energy: 1.093711486876619 Energy: 1.0914179218626245 Energy: 1.0901665674480232 Energy: 1.1518121500248553 Energy: 1.07008979434454 Energy: 1.07451442389636 Energy: 1.1224358788554591 Energy: 1.0908521380914848 Energy: 1.1037895319367106 Energy: 1.1054347945928804 Energy: 1.0757479382811648 Energy: 1.1222987448320016 Energy: 1.0920879706013666 Energy: 1.1342988847290152 Energy: 1.1500730795751881 Energy: 1.15119243594988 Energy: 1.0887964170511488 Energy: 1.1075014460487274 Energy: 1.1332308074597663 Energy: 1.151166693020814 Energy: 1.1509740283267065 Energy: 1.0940520654205872 Energy: 1.1798581796494612 Energy: 1.082916318181316 Energy: 1.073251634637251 Energy: 1.1284079663355844 Energy: 1.0725957812125724 Energy: 1.0909894208163633 Energy: 1.0881605502377718 Energy: 1.0727577174813185 Energy: 1.0925018141072882 Energy: 1.0725688433414051 Energy: 1.0913720946453915 Energy: 1.091296221548724 Energy: 1.092382155796436 Energy: 1.0454383037991162 Energy: 1.0477567772897254 Energy: 1.1561342506633492 Energy: 1.0908152209032098 Energy: 1.1231142472649496 Energy: 1.0446651468902106 Energy: 1.0466552871145627 Energy: 1.1550102663639406 Energy: 1.047872741785338 Energy: 1.086077054140739 Energy: 1.0732544812360485 Energy: 1.074347328367182 Energy: 1.072832361617982 Energy: 1.0490693524229255 Energy: 1.0912747500471651 Energy: 1.0735277183632566 Energy: 1.0741273634413784 Energy: 1.073850039775003 Energy: 1.0746500793214502 Energy: 1.1948565418496764 Energy: 1.0863232633384865 Energy: 1.1801097380733885 Energy: 1.0737616569423514 Energy: 1.0750250715729412 Energy: 1.0850109645632817 Energy: 1.0863851815102457 Energy: 1.0738188263693194 Energy: 1.0730361373324908 Energy: 1.1792908857545643 Energy: 1.154222517010633 Energy: 1.0835437942229418 Energy: 1.2275627017653403 Energy: 1.0481786135728381 Energy: 1.18110601772338 Energy: 1.0864290265502645 Energy: 1.084311383793406 Energy: 1.2283309874698924 Energy: 1.049930798831236 Energy: 1.049371713027945 Energy: 1.0738087566493602 Energy: 1.0905295883910258 Energy: 1.2026101868128387 Energy: 1.0494102930962617 Energy: 1.1662543319276522 Energy: 1.0735594174672558 Energy: 1.074694813308906 Energy: 1.2035428190529935 Energy: 1.0486275308170963 Energy: 1.0930049418091905 Energy: 1.0898543964732614 Energy: 1.0728755991553713 Energy: 1.1512478565637774 Energy: 1.1087676012859284 Energy: 1.0918130671300554 Energy: 1.0911747300134726 Energy: 1.0735431940135185 Energy: 1.1513644475014457 Energy: 1.0740138236935381 Energy: 1.0922993450991085 Energy: 1.0853812026777678 Energy: 1.1538596427693482 Energy: 1.0913156963619186 Energy: 1.146983058125987 Energy: 1.0919754603753675 Energy: 1.093260745012843 Energy: 1.153182250035018 Energy: 1.09153343815782 Energy: 1.150207346957152 Energy: 1.0983829909907683 Energy: 1.1237369943839408 Energy: 1.1226715228355715 Energy: 1.127418777232635 Energy: 1.0751027841264402 Energy: 1.1290204465327445 Energy: 1.1247805566605251 Energy: 1.1493272348541925 Energy: 1.1275359823827245 Energy: 1.07488135424607 Energy: 1.1246997158064629 Energy: 1.1542416666039705 Energy: 1.088776046324917 Energy: 1.1207162731068432 Energy: 1.1228639592533358 Energy: 1.1216753076382717 Energy: 1.1550032527224994 Energy: 1.154620054857844 Energy: 1.1218133285493617 Energy: 1.1233045194846722 Energy: 1.1414845592657297 Energy: 1.1506536622211403 Energy: 1.0955562403447958 Energy: 1.105462881646156 Energy: 1.1660269084782597 Energy: 1.0935206366591685 Energy: 1.1500216696333585 Energy: 1.0960306066004928 Energy: 1.1054759933360727 Energy: 1.1672587167784036 Energy: 1.496638294639416 Energy: 1.2054485895279754 Energy: 1.0898088993821413 Energy: 1.0901450957609196 Energy: 1.200033510336448 Energy: 1.0448859077618873 Energy: 1.2274619510540608 Energy: 1.090654292603083 Energy: 1.0913510719936583 Energy: 1.2003712497079317 Energy: 1.1225485519210074 Energy: 1.074907229782824 Energy: 1.0903921554821123 Energy: 1.0905393708846176 Energy: 1.0746574076641993 Energy: 1.1571679238256465 Energy: 1.0741906721777001 Energy: 1.0923727869389543 Energy: 1.0923065351998045 Energy: 1.1098315498556397 Energy: 1.1787392201507474 Energy: 1.0930547566674842 Energy: 1.073583496200542 Energy: 1.1795581062662919 Energy: 1.083802301399047 Energy: 1.1809342544602737 Energy: 1.0907030430193816 Energy: 1.0735877706444574 Energy: 1.1585564398469381 Energy: 1.0841380634521172 Energy: 1.1587004175088642 Energy: 1.0774488972401843 Energy: 1.0789849228943915 Energy: 1.2029785416899714 Energy: 1.0842938429686078 Energy: 1.1606475686627036 Energy: 1.0496078184926128 Energy: 1.0780935281078081 Energy: 1.20343496638054 Energy: 1.0840918895620497 Energy: 1.0908289973019771 Energy: 1.078649470973804 Energy: 1.0482612135675022 Energy: 1.084405064468272 Energy: 1.0729734885162072 Energy: 1.0920240029217976 Energy: 1.0789720830866014 Energy: 1.0493854452828715 Energy: 1.091122683396024 Energy: 1.0734646124031173 Energy: 1.0742069247023889 Energy: 1.0741330588070244 Energy: 1.091685320059677 Energy: 1.089519406500287 Energy: 1.0751840999266704 Energy: 1.0742338037216155 Energy: 1.0738886476191334 Energy: 1.0910497636272793 Energy: 1.087948772671947 Energy: 1.0745109406478779 Energy: 1.1134313334682953 Energy: 1.1178725823065474 Energy: 1.1227060892770766 Energy: 1.0902540561099228 Energy: 1.1365725828540079 Energy: 1.1085415847167504 Energy: 1.0798020388882323 Energy: 1.1224156524765212 Energy: 1.0905935509959 Energy: 1.1370801479400796 Energy: 1.173308113795907 Energy: 1.1867792172277603 Energy: 1.124176432997548 Energy: 1.1231878478182067 Energy: 1.0927317101087761 Energy: 1.0725806111663871 Energy: 1.1903491229448917 Energy: 1.1234757963198818 Energy: 1.1216614592178569 Energy: 1.092044549635811 Energy: 1.134911765704718 Energy: 1.1497017174748463 Energy: 1.1246759353531621 Energy: 1.1306403789245025 Energy: 1.1957685774868823 Energy: 1.133959994185928 Energy: 1.1504681438193864 Energy: 1.1517027466123686 Energy: 1.1310052605443124 Energy: 1.1795516629737952 Energy: 1.0889669522451442 Energy: 1.0756838189020221 Energy: 1.09402477846105 Energy: 1.091639246730312 Energy: 1.1225693405824797 Energy: 1.0885495503652696 Energy: 1.0761314359660832 Energy: 1.161153463727337 Energy: 1.0919872733661378 Energy: 1.091344093254943 Energy: 1.0842202841048914 Energy: 1.122589121315936 Energy: 1.045641378296749 Energy: 1.0752842528836386 Energy: 1.0898586061196518 Energy: 1.0864838367305623 Energy: 1.1235882194383304 Energy: 1.0450625453130296 Energy: 1.0496215788668988 Energy: 1.0896543046730305 Energy: 1.0885628070780762 Energy: 1.1215672060655884 Energy: 1.0731979489408146 Energy: 1.0746929861254624 Energy: 1.072288443205488 Energy: 1.088262158152445 Energy: 1.1212860153179114 Energy: 1.1535679047374952 Energy: 1.0751253904311613 Energy: 1.0725940570747108 Energy: 1.0756784887775688 Energy: 1.100248150980313 Energy: 1.085041166035933 Energy: 1.1782060629667763 Energy: 1.0748410721652 Energy: 1.0740616545377895 Energy: 1.1004199120321903 Energy: 1.0863477557925394 Energy: 1.0740014034573726 Energy: 1.075011510484933 Energy: 1.145049734703241 Energy: 1.1531984815025134 Energy: 1.1587184076989219 Energy: 1.1703160148832028 Energy: 1.04834636226775 Energy: 1.17958204204408 Energy: 1.0911036000123322 Energy: 1.2106192090476229 Energy: 1.171982933945964 Energy: 1.0488077358797743 Energy: 1.0936830624540246 Energy: 1.0754546598472947 Energy: 1.0751886554589718 Energy: 1.2024844383890505 Energy: 1.0512063422754525 Energy: 1.0899648674477989 Energy: 1.0744284013314058 Energy: 1.0756513175655258 Energy: 1.2030529467567588 Energy: 1.0507748771517418 Energy: 1.0850536042567371 Energy: 1.0888539310613028 Energy: 1.0728492656624558 Energy: 1.1835826522287987 Energy: 1.072681811627674 Energy: 1.0876533532151562 Energy: 1.0897492855652025 Energy: 1.0729004289916644 Energy: 1.185867302879665 Energy: 1.1473962032123735 Energy: 1.1215649718459244 Energy: 1.133220381688136 Energy: 1.1558487881172586 Energy: 1.118114382711142 Energy: 1.1084257462811042 Energy: 1.091997326561678 Energy: 1.131824570378129 Energy: 1.156682016644506 Energy: 1.1180033262022473 Energy: 1.1086129432098528 Energy: 1.091301348628265 Energy: 1.1217017597743362 Energy: 1.091140076289448 Energy: 1.0737386378964593 Energy: 1.124609155227477 Energy: 1.1181343025527133 Energy: 1.1236284927682278 Energy: 1.0914629930083328 Energy: 1.1234084671077178 Energy: 1.125203890233854 Energy: 1.1493623185287378 Energy: 1.133805973026933 Energy: 1.0888226913607182 Energy: 1.120854498916872 Energy: 1.1289791108980014 Energy: 1.1213758790453683 Energy: 1.1341739399718251 Energy: 1.0885036512347273 Energy: 1.1215469057733163 Energy: 1.1269133409481953 Energy: 1.0453561573831271 Energy: 1.1517608081578716 Energy: 1.0907444777720354 Energy: 1.0900696904707248 Energy: 1.0740359488462834 Energy: 1.0457290822455878 Energy: 1.1512300696751765 Energy: 1.0904180053205608 Energy: 1.105610204359989 Energy: 1.0493286514032911 minimum gb energy = 1.0446651468902106 eV minimum distance = 2.19304797920753 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 1.015747792403391 Energy: 0.9405077080850093 Energy: 0.9777484590152264 Energy: 1.1776602497366384 Energy: 0.9237854253299627 Energy: 1.0164351655393238 Energy: 0.9401099542924954 Energy: 0.9781873625279334 Energy: 1.0443509896048901 Energy: 0.9240736955564096 Energy: 1.0706939017725303 Energy: 0.9413280620046475 Energy: 0.9815070427632853 Energy: 0.938180232404468 Energy: 0.9388974228550253 Energy: 1.0709232993608881 Energy: 0.9798617640296114 Energy: 0.9244127547142038 Energy: 1.0452902049542478 Energy: 0.939129566886114 Energy: 0.9402336616972936 Energy: 1.0440205657952824 Energy: 0.9779813789068734 Energy: 0.9781546960536446 Energy: 1.0722481760629636 Energy: 0.9392596619849877 Energy: 1.0445484465189745 Energy: 0.9790976795600729 Energy: 0.978592215356589 Energy: 1.0710087061384195 Energy: 1.0190841875275243 Energy: 1.0191616027035917 Energy: 0.9245758330230749 Energy: 0.9385518990196338 Energy: 1.070596370597276 Energy: 1.0166916312649732 Energy: 1.0172828714780158 Energy: 0.9243606226938849 Energy: 0.9395167597527949 Energy: 0.9684038497568374 Energy: 1.044308485056379 Energy: 0.9244950232146893 Energy: 1.0166239183529309 Energy: 0.9790381806780237 Energy: 0.9786016174683764 Energy: 1.044722226236668 Energy: 0.924437381287317 Energy: 1.0179592728395817 Energy: 0.9814348901231322 Energy: 0.979614897113485 Energy: 0.9395068746755588 Energy: 1.0171494623908865 Energy: 0.9393082993019772 Energy: 0.9789460648687687 Energy: 0.9240434064472036 Energy: 1.0446203674402423 Energy: 1.016001517268377 Energy: 1.04408059200623 Energy: 0.9778871105991674 Energy: 0.923533040076335 Energy: 1.0153076471021845 Energy: 0.9317847191291567 Energy: 0.9384972729144244 Energy: 0.9397655256431096 Energy: 0.9812833493247839 Energy: 1.0158676053613696 Energy: 0.9307706286727361 Energy: 0.9383114742975415 Energy: 0.9394691893735021 Energy: 1.0684404632959206 Energy: 0.9399076667385601 Energy: 1.0731485194910995 Energy: 0.9781547887656747 Energy: 1.0161729545466427 Energy: 0.9244978733018311 Energy: 0.9401358325227924 Energy: 1.1749656971726459 Energy: 0.9773658870600607 Energy: 1.0157517409187815 Energy: 0.924092927083998 Energy: 0.9811614184109506 Energy: 0.9245937552061309 Energy: 0.9381211322410256 Energy: 0.9253232170429561 Energy: 1.017764237357947 Energy: 1.0319029748936823 Energy: 0.9417943499864354 Energy: 0.9377111880746961 Energy: 0.9253255465515582 Energy: 1.0172697931851156 Energy: 0.9779253792342242 Energy: 0.9777808394338185 Energy: 1.1751183948486785 Energy: 0.940674535339759 Energy: 1.0437112262638941 Energy: 0.9776449788104784 Energy: 0.9776154459089448 Energy: 1.1748963078492933 Energy: 0.9401734071920085 Energy: 1.0437463752975293 Energy: 0.9786156024897946 Energy: 0.9391742333933525 Energy: 0.9410896499257538 Energy: 0.9804152444404323 Energy: 0.9387536377906038 Energy: 0.9255444959583585 Energy: 0.9391698944216694 Energy: 0.930653045379865 Energy: 0.9782384047780093 Energy: 0.9390852551045004 Energy: 1.0159690099126841 Energy: 0.9405401428312707 Energy: 0.97768493916369 Energy: 1.0445625441068527 Energy: 0.9236543605474804 Energy: 1.016878208276053 Energy: 0.9400553641669129 Energy: 0.9779682978789976 Energy: 1.044424536623271 Energy: 0.9239396169918901 Energy: 1.019481130151432 Energy: 0.9398342836769163 Energy: 0.9823735519984069 Energy: 0.9384707266002592 Energy: 0.938802332087169 Energy: 1.0707737707794203 Energy: 0.9801226614509421 Energy: 0.9245214858494116 Energy: 0.93984586695534 Energy: 0.9389992997642063 Energy: 0.9404495381940617 Energy: 1.044066580341667 Energy: 0.9780676092895755 Energy: 0.9781670753309214 Energy: 1.0732280054179648 Energy: 0.9394037346778155 Energy: 1.0445254385848417 Energy: 0.9790543805397486 Energy: 0.9785194353151971 Energy: 1.07123028445939 Energy: 1.0190766080950613 Energy: 1.0198976807016176 Energy: 0.924773252847169 Energy: 0.938284096975425 Energy: 1.0705716523795274 Energy: 1.0174515933351902 Energy: 1.0175308479398595 Energy: 0.9243909768196668 Energy: 0.9393474075317234 Energy: 1.0715653103157692 Energy: 1.0441353185205458 Energy: 0.9241894268461083 Energy: 1.0164706019957075 Energy: 0.9788708678429038 Energy: 0.9784450478181168 Energy: 1.044799842388527 Energy: 0.9243370580928354 Energy: 1.017663835701066 Energy: 0.9817406148420752 Energy: 0.9793004557826174 Energy: 0.9394016046482172 Energy: 1.0175678589961565 Energy: 0.9392335712876808 Energy: 0.9792494639431892 Energy: 0.9240349792309577 Energy: 1.0448173967326626 Energy: 1.0158571640603646 Energy: 1.0440545850870184 Energy: 0.9779835911930956 Energy: 0.923639786447515 Energy: 1.0156152470735647 Energy: 0.9319490754989544 Energy: 0.9387904661382431 Energy: 0.9398704594829024 Energy: 1.017992528407502 Energy: 0.9787259663202149 Energy: 0.9308514719349634 Energy: 0.9384759438118362 Energy: 0.93948149986649 Energy: 1.069710028751133 Energy: 0.9398895815943538 Energy: 1.0730558030941688 Energy: 0.9782837232873443 Energy: 1.016259917930596 Energy: 0.9238962339128873 Energy: 0.9403582018115745 Energy: 1.174944847684138 Energy: 0.9775388811119679 Energy: 1.0158289530322644 Energy: 0.9234668803750068 Energy: 0.9805386706057747 Energy: 0.9245025997526456 Energy: 0.9380354540238652 Energy: 0.9253110960615109 Energy: 1.0218393207589191 Energy: 0.9819899085269175 Energy: 0.9424963238751599 Energy: 0.9381461293328077 Energy: 0.9253223385600039 Energy: 0.9402370590126014 Energy: 0.978136081990959 Energy: 0.9777599238056557 Energy: 1.1749202633484948 Energy: 0.9406501808500943 Energy: 1.0437537810320225 Energy: 0.977740156135413 Energy: 0.9777639013323971 Energy: 1.1749099054500485 Energy: 0.940197828845214 Energy: 1.0436810767042992 Energy: 0.978677190950942 Energy: 0.9390912949064628 Energy: 0.9409904250982682 Energy: 1.070686444626359 Energy: 0.9387200926647309 Energy: 0.9255016438315613 Energy: 0.939078737606618 Energy: 0.9305356332710639 Energy: 1.0158712302888815 Energy: 0.939009689839494 minimum gb energy = 0.9234668803750068 eV minimum distance = 2.36219516007047 Angstroms sigma value = 15 ======================================== theta = 110.02717248395858 ======================================== Energy: 1.797323125934946 Energy: 1.024025514704866 Energy: 1.1520940864853662 Energy: 1.053228357501676 Energy: 1.0237210957867735 Energy: 1.036674613719456 Energy: 1.0241939517338412 Energy: 1.1590230670157626 Energy: 1.0516388915462664 Energy: 1.0435928852295993 Energy: 1.0271160900215202 Energy: 1.1124431817864193 Energy: 1.0658665095109907 Energy: 1.0672277357823687 Energy: 1.022281855673559 Energy: 1.0192993119664935 Energy: 1.1141726749553835 Energy: 1.0860476517459394 Energy: 1.1120413737293373 Energy: 1.0725380822834625 Energy: 1.1408859599630563 Energy: 1.0609489249204156 Energy: 1.0228306078536906 Energy: 1.0909976196615754 Energy: 1.169381785408457 Energy: 1.1479322011568815 Energy: 1.0552644494282026 Energy: 1.0385574542416478 Energy: 1.0686566185357302 Energy: 1.1573127321905259 Energy: 1.0307557664857623 Energy: 1.0329339400395003 Energy: 1.1443256009650922 Energy: 1.1525052129124316 Energy: 1.1644955478896057 Energy: 1.0410631208972758 Energy: 1.0979830943718223 Energy: 1.1437664538411743 Energy: 1.143392848593855 Energy: 1.1584792064539156 Energy: 1.0331313551528902 Energy: 1.0385597439115541 Energy: 1.1128789363869087 Energy: 1.1401327435107333 Energy: 1.0132784261959435 Energy: 1.1425684602714001 Energy: 1.0355928178903628 Energy: 1.0142452879662098 Energy: 1.1421530019929451 Energy: 1.013770114906112 Energy: 1.0896886492586688 Energy: 1.0329370482257354 Energy: 1.0269472279463387 Energy: 1.136371984468974 Energy: 1.203858397920356 Energy: 1.032163488747754 Energy: 1.025127840885425 Energy: 1.0242035826286473 Energy: 1.1441965811048227 Energy: 1.2395581221306453 Energy: 1.0227714770481227 Energy: 1.0331482086326766 Energy: 1.0232582728662833 Energy: 1.0282316280369268 Energy: 1.095111742608411 Energy: 1.0293898668108907 Energy: 1.0342082053441066 Energy: 1.0243428914766692 Energy: 1.026105904171915 Energy: 1.1062457947359512 Energy: 1.0234498368346825 Energy: 1.03512017312991 Energy: 1.0769987401195242 Energy: 1.1153215982589504 Energy: 1.0948435706656872 Energy: 1.0241624643459606 Energy: 1.034123137149719 Energy: 1.015277133361083 Energy: 1.1147060378378677 Energy: 1.062798818116084 Energy: 1.0219805530602786 Energy: 1.2130787027418417 Energy: 1.0734279408435725 Energy: 1.027712142765754 Energy: 1.0357992627831478 Energy: 1.0221047399118781 Energy: 1.2026014638519718 Energy: 1.0616558465782504 Energy: 1.1581640626624266 Energy: 1.0322815885498924 Energy: 1.1156464613670054 Energy: 1.0913187022579698 Energy: 1.0152944482465251 Energy: 1.0535661856868068 Energy: 1.0524689119662483 Energy: 1.066212264011872 Energy: 1.0767245359388788 Energy: 1.0151779667329053 Energy: 1.0537986785721847 Energy: 1.0532004406376678 Energy: 1.1557409662207423 Energy: 1.0256417102285251 Energy: 1.0456570819593511 Energy: 1.0554450437694314 Energy: 1.0164524005445477 Energy: 1.0450793790900441 Energy: 1.0831234452809795 Energy: 1.0480927836378753 Energy: 1.054764364390962 Energy: 1.0178840746227327 Energy: 1.209170709576567 Energy: 1.0868944925627355 Energy: 1.0673173177434272 Energy: 1.0222558498931607 Energy: 1.0873835115895316 Energy: 1.209738287023523 Energy: 1.0872467630119875 Energy: 1.0205168283660107 Energy: 1.1118684857534231 Energy: 1.0869563815914314 Energy: 1.1113129568168243 Energy: 1.0958911947911378 Energy: 1.0269366002358062 Energy: 1.0428519619475611 Energy: 1.0421417782974116 Energy: 1.1852788854104466 Energy: 1.0989854454075947 Energy: 1.0216491476977716 Energy: 1.0403070773932268 Energy: 1.0972696141951426 Energy: 1.0863089402096833 Energy: 1.0866036630208964 Energy: 1.0236322200323509 Energy: 1.127121631303184 Energy: 1.0869490301019253 Energy: 1.086417784143073 Energy: 1.0882329643380377 Energy: 1.0084085450265063 Energy: 1.0871108109467318 Energy: 1.0874320850665053 Energy: 1.0540610447136949 Energy: 1.0526559444197896 Energy: 1.1639529416791725 Energy: 1.0811632166284169 Energy: 1.0367895225184487 Energy: 1.0543218251086213 Energy: 1.0556501224622026 Energy: 1.1635793823472218 Energy: 1.0621324666491276 Energy: 1.036366864512296 Energy: 1.2166444548626063 Energy: 1.163399288684888 Energy: 1.195010047348577 Energy: 1.0549799432401301 Energy: 1.1294968611447902 Energy: 1.179943164919775 Energy: 1.1638944622787601 Energy: 1.1966665971949288 Energy: 1.0554135920924406 Energy: 1.1464750393478857 Energy: 1.0129742773510226 Energy: 1.1037842426074018 Energy: 1.1412090299770525 Energy: 1.1910599713218895 Energy: 1.1101611322384193 Energy: 1.0125688542236626 Energy: 1.0985034567439227 Energy: 1.0895913708771248 Energy: 1.190721935244554 Energy: 1.1118022425886256 Energy: 1.0329352396995797 Energy: 1.2038740428274155 Energy: 1.2039312227563452 Energy: 1.1247848638692362 Energy: 1.0246775713552618 Energy: 1.2135826185752132 Energy: 1.203497985879518 Energy: 1.2039046768684456 Energy: 1.0615631112359165 Energy: 1.024979533213449 Energy: 1.0329802157628387 Energy: 1.01457568961155 Energy: 1.0248271265065594 Energy: 1.0344737001451565 Energy: 1.0258089615731374 Energy: 1.0327261150617661 Energy: 1.0145839325592392 Energy: 1.0318045156437996 Energy: 1.0336748099920978 Energy: 1.025443082996674 Energy: 1.027935726860371 Energy: 1.106177143059395 Energy: 1.0924482151537176 Energy: 1.0316212949705443 Energy: 1.0260206826499838 Energy: 1.0186779108017077 Energy: 1.0964185297576712 Energy: 1.0885932039676744 Energy: 1.0361534929901768 Energy: 1.0254599127161674 Energy: 1.1058361629639732 Energy: 1.0972834986598974 Energy: 1.025907415351193 Energy: 1.0755381862709952 Energy: 1.0663298473963894 Energy: 1.1060008303399769 Energy: 1.0976803822129468 Energy: 1.025515604323551 Energy: 1.2200453846382506 Energy: 1.0840052667786306 Energy: 1.0306758403744103 Energy: 1.0340165200826663 Energy: 1.0639168498616571 Energy: 1.236772356508698 Energy: 1.0219320218472636 Energy: 1.029452243395655 Energy: 1.0371325184337399 Energy: 1.101082982899596 Energy: 1.1855484651744606 Energy: 1.0216292872743784 Energy: 1.0573641272329635 Energy: 1.0654811984336439 Energy: 1.014214500680557 Energy: 1.036513589047372 Energy: 1.079980989530035 Energy: 1.0572754577311692 Energy: 1.0655755675381477 Energy: 1.0148297442584249 Energy: 1.0408778464938098 Energy: 1.081312591048681 Energy: 1.014647240494712 Energy: 1.0611148118607119 Energy: 1.172538209321624 Energy: 1.1723376710062001 Energy: 1.06031176139757 Energy: 1.01428355634407 Energy: 1.0598115655121274 Energy: 1.172221080802576 Energy: 1.0608543378641235 Energy: 1.075631000227771 Energy: 1.035015537147671 Energy: 1.0429936547672325 Energy: 1.188779850950103 Energy: 1.1924581480496275 Energy: 1.005388668043498 Energy: 1.0217677860108212 Energy: 1.0437286872796172 Energy: 1.1901609558196449 Energy: 1.1909173951111118 Energy: 1.0209326312725835 Energy: 1.094910255335784 Energy: 1.0601038445102464 Energy: 1.0860076067647215 Energy: 1.0599082453543769 Energy: 1.059558865398468 Energy: 1.1882834236513797 Energy: 1.0594676540925638 Energy: 1.0863792437356634 Energy: 1.0592375066906499 Energy: 1.05983873139818 Energy: 1.0278546319652895 Energy: 1.0935394209063634 Energy: 1.0232418851167238 Energy: 1.06627121402172 Energy: 1.1908057344734482 Energy: 1.0282992374875974 Energy: 1.0714323081624098 Energy: 1.0278184895492253 Energy: 1.101383623541194 Energy: 1.1905675682993924 Energy: 1.1733636595293573 Energy: 1.185727012322648 Energy: 1.102866309943211 Energy: 1.1849298343994605 Energy: 1.1894093327522892 Energy: 1.1731668098226355 Energy: 1.2120556332573442 Energy: 1.1870019763187762 Energy: 1.183176690164617 Energy: 1.191912457974596 Energy: 1.0633420140298444 Energy: 1.0380935494479675 Energy: 1.1127660239784685 Energy: 1.1677390562726229 Energy: 1.0869441458735636 Energy: 1.0479927095891926 Energy: 1.0961603365674824 Energy: 1.094963388123067 Energy: 1.1679812606766709 Energy: 1.1409680263581587 Energy: 1.2049541950172857 Energy: 1.0340062467963806 Energy: 1.027595619464602 Energy: 1.2297474669977124 Energy: 1.239047408945853 Energy: 1.1751825218155576 Energy: 1.0318787003876273 Energy: 1.0363031667233753 Energy: 1.229631035490076 Energy: 1.3647432647053737 Energy: 1.027672782734096 Energy: 1.0330311418190392 Energy: 1.0292306997200142 Energy: 1.0648531103757504 Energy: 1.1596287378361572 Energy: 1.0309626910289724 Energy: 1.0341161532611978 Energy: 1.027580894647316 Energy: 1.0722823921408822 Energy: 1.0877778532598077 Energy: 1.0272670690672294 Energy: 1.0337505630246766 Energy: 1.026168693881674 Energy: 1.1152512396029344 Energy: 1.0761002131882507 Energy: 1.0334671795268042 Energy: 1.0336197552440933 Energy: 1.0265117257086964 Energy: 1.1148517527077164 Energy: 1.0769858370196363 Energy: 1.029064614361002 Energy: 1.0560182091635388 Energy: 1.106784223045969 Energy: 1.1085985249618997 Energy: 1.0302118387128543 Energy: 1.0806860981822273 Energy: 1.0817499646579793 Energy: 1.1053613035134862 Energy: 1.223842922179254 Energy: 1.059018401640306 Energy: 1.0316091101558682 Energy: 1.2359711520058152 Energy: 1.0861635739271596 Energy: 1.0374447262741442 Energy: 1.0544579321149259 Energy: 1.056965566382587 Energy: 1.2368913902111012 Energy: 1.0843898168511013 Energy: 1.0199058426392245 Energy: 1.0546908324295792 Energy: 1.153919544533959 Energy: 1.0260167828580578 Energy: 1.0483058185372816 Energy: 1.056840256844479 Energy: 1.0518492575452052 Energy: 1.1463371001111158 Energy: 1.0262110449426134 Energy: 1.0494052020127713 Energy: 1.0545903662615783 Energy: 1.0502024077059804 Energy: 1.2092282906239487 Energy: 1.0881915119780872 Energy: 1.0166076316935917 Energy: 1.0172613445574643 Energy: 1.0561877000039348 Energy: 1.2086401871441457 Energy: 1.0891071591994796 Energy: 1.0193779285818905 Energy: 1.021967788368996 Energy: 1.0564667346504 Energy: 1.1476734823562929 Energy: 1.016424385948985 Energy: 1.0218251371534814 Energy: 1.0283969728297446 Energy: 1.0921278227991125 Energy: 1.141762985175645 Energy: 1.02252462735242 Energy: 1.0327855686921013 Energy: 1.0270840424156724 Energy: 1.0764768687599833 Energy: 1.0861085390419885 Energy: 1.0994874125032366 Energy: 1.1961057840951985 Energy: 1.0537300556568552 Energy: 1.055973869168051 Energy: 1.085394565915893 Energy: 1.1005377002165808 Energy: 1.041475368218919 Energy: 1.0404568012742519 Energy: 1.055472050737822 Energy: 1.0533793123145463 Energy: 1.059290280484083 Energy: 1.0160929106232497 Energy: 1.0771322038248283 Energy: 1.0975535735175475 Energy: 1.0534526976278131 Energy: 1.0221486690121875 Energy: 1.0151523743943416 Energy: 1.077586269659554 Energy: 1.0669894942261196 Energy: 1.2178933268623944 Energy: 1.161566983096021 Energy: 1.1943620214595494 Energy: 1.1629507088981015 Energy: 1.0980443825460755 Energy: 1.1642807010880312 Energy: 1.1631860014753408 Energy: 1.1633497176858745 Energy: 1.1641260084537413 Energy: 1.0196075302717553 Energy: 1.012768862480846 Energy: 1.0462526259842113 Energy: 1.119644579509694 Energy: 1.019823602107636 Energy: 1.1929571333294495 Energy: 1.0127871327610136 Energy: 1.040512707936814 Energy: 1.1197644445798483 Energy: 1.0491950302861013 Energy: 1.1532481966678525 Energy: 1.1971640212870003 Energy: 1.2041666849963106 Energy: 1.203552068704949 Energy: 1.0160314679801918 Energy: 1.0251601729275017 Energy: 1.1653768321980278 Energy: 1.2045271902764072 Energy: 1.2040403669284725 Energy: 1.0170481937313893 Energy: 1.026222770495741 Energy: 1.0294266212594125 Energy: 1.028412758879757 Energy: 1.0243863176347376 Energy: 1.0318085884413866 Energy: 1.0232428934646765 Energy: 1.034748751362319 Energy: 1.0255190049733836 Energy: 1.0243796544769823 Energy: 1.0307432324739307 Energy: 1.0257715734879536 Energy: 1.031886562669486 Energy: 1.2235865085015403 Energy: 1.1268118504440712 Energy: 1.0290213482472772 Energy: 1.0253399350041477 Energy: 1.0664394728692554 Energy: 1.2518819187264347 Energy: 1.0254926692310506 Energy: 1.0317046062187827 Energy: 1.0251475012377165 Energy: 1.0361664287604673 Energy: 1.1148165305181823 Energy: 1.03260231710884 Energy: 1.1004554636910284 Energy: 1.0774606901820927 Energy: 1.0454996587601384 Energy: 1.1155173645735759 Energy: 1.0258314547847278 Energy: 1.0695737124074363 Energy: 1.084591342620655 Energy: 1.0270404037425631 Energy: 1.0341033378664337 Energy: 1.0433564525423025 Energy: 1.2033874930366018 Energy: 1.0219167886754021 Energy: 1.034784787163581 Energy: 1.021801563134538 Energy: 1.049515006539496 Energy: 1.2303166345648748 Energy: 1.0215682089184173 Energy: 1.0248963029888347 Energy: 1.0304969435640938 Energy: 1.0255985822794655 Energy: 1.0337473739184964 Energy: 1.0407140092242664 Energy: 1.0321315111672589 Energy: 1.040867236462634 Energy: 1.0325257630757454 Energy: 1.0333514977296163 Energy: 1.0276303543548921 Energy: 1.02620163765798 Energy: 1.173744014117334 Energy: 1.1720961070343154 Energy: 1.1749007211169122 Energy: 1.0498698212968283 Energy: 1.0174284836889802 Energy: 1.0401806985845516 Energy: 1.206703806600886 Energy: 1.1142460125057443 Energy: 1.026632989713464 Energy: 1.0677506222097137 Energy: 1.1107834189264765 Energy: 1.1605298193422648 Energy: 1.0606933209254745 Energy: 1.0095607888590656 Energy: 1.0865186906751498 Energy: 1.1111981892542917 Energy: 1.0400857061059197 Energy: 1.1040232098068006 Energy: 1.012360343663067 minimum gb energy = 1.005388668043498 eV minimum distance = 2.17728829806516 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.3910001477136695 Energy: 1.0397135805423081 Energy: 1.1497865188121537 Energy: 1.1869415664658705 Energy: 0.9637656100819321 Energy: 1.3909963338302653 Energy: 1.0394273508633955 Energy: 1.150367223952335 Energy: 1.1245666884928405 Energy: 1.1332813082531557 Energy: 0.9597612842665791 Energy: 1.1102609409952164 Energy: 1.1350295602371885 Energy: 1.1310776764658907 Energy: 1.2044064790502806 Energy: 0.9613355727937746 Energy: 1.1099867331236561 Energy: 1.1415869460988934 Energy: 1.1089957401879456 Energy: 0.9976356131521977 Energy: 1.0485258803781068 Energy: 0.9691269624628122 Energy: 1.0198378773144428 Energy: 0.9947220926434085 Energy: 1.0488311791716023 Energy: 1.0492702452275124 Energy: 0.9683880174823267 Energy: 0.9937585912451495 Energy: 0.993981303759984 Energy: 1.0483947468152726 Energy: 0.9945984404842977 Energy: 0.996043003674324 Energy: 1.0163887959183038 Energy: 0.960824323562222 Energy: 1.0487526260441322 Energy: 0.9958979152456702 Energy: 0.992594042337428 Energy: 1.0163482308599394 Energy: 0.960707825592032 Energy: 1.0489048655423168 Energy: 0.960030551898022 Energy: 1.0159428068429404 Energy: 1.0793608078939414 Energy: 0.9967444575202957 Energy: 1.0143538925679372 Energy: 0.9606529403395175 Energy: 1.0159668909721105 Energy: 0.9934595129608103 Energy: 0.9968744337118015 Energy: 1.083424755431479 Energy: 1.1087062420532554 Energy: 0.9964705823310925 Energy: 1.023229736983991 Energy: 1.099402349714942 Energy: 1.0795875633947842 Energy: 1.0146092556067365 Energy: 0.9932898686172841 Energy: 1.0235348717675377 Energy: 1.0997563371205579 Energy: 1.0799992252737036 Energy: 1.0668050598394043 Energy: 1.0499813869709258 Energy: 1.043745981417566 Energy: 0.996506946292476 Energy: 1.0202642330008995 Energy: 1.0664253995109716 Energy: 1.0456679509987816 Energy: 1.0435083678920765 Energy: 0.9964045630283669 Energy: 1.0209627662658134 Energy: 1.0586426674182876 Energy: 0.9556718523357216 Energy: 0.9935264160813011 Energy: 1.2220321393188163 Energy: 1.1081937341601098 Energy: 1.0605541292445777 Energy: 0.9553450982336592 Energy: 0.9979627066680682 Energy: 1.2144506722971513 Energy: 1.108346038422777 Energy: 0.9926771731285787 Energy: 1.0139354019021956 Energy: 1.0215064202746356 Energy: 1.0247118736429128 Energy: 0.9942216294055208 Energy: 0.9929079391100374 Energy: 1.183995351720374 Energy: 1.0209982844038579 Energy: 1.1867114844067685 Energy: 0.9946551012880844 Energy: 1.04081760759296 Energy: 1.2208737624360688 Energy: 0.9608276571181699 Energy: 1.1173840631365104 Energy: 1.0202364437306557 Energy: 0.9548172633279819 Energy: 0.9924488151506208 Energy: 0.9608237805603762 Energy: 1.268775501858731 Energy: 1.020574848680476 Energy: 0.9598896019070914 Energy: 0.9602889005637659 Energy: 1.040756312143512 Energy: 1.0819465233365109 Energy: 0.9657447209008304 Energy: 0.9597581287138973 Energy: 0.9610571038997529 Energy: 1.0413822785264406 Energy: 1.0819296725908711 Energy: 0.9946682140641294 Energy: 0.9598271720135875 Energy: 0.9584803550153704 Energy: 0.9609044404644624 Energy: 1.14891528715174 Energy: 0.9605005919185834 Energy: 0.959989148330239 Energy: 0.9587181400496428 Energy: 0.9732988912572563 Energy: 1.1845959634919756 Energy: 0.9724523432449963 Energy: 0.9596397316290126 Energy: 0.9945793878628617 Energy: 1.109526850219225 Energy: 1.107572955228486 Energy: 0.9609370787389471 Energy: 0.9565286714327732 Energy: 0.994947579295374 Energy: 1.1074911599446884 Energy: 1.106771436140353 Energy: 0.9606092983202301 Energy: 1.143004325133271 Energy: 0.9613601320432504 Energy: 1.2816574438370225 Energy: 0.972592546057467 Energy: 0.9681703631676319 Energy: 1.2676137767033584 Energy: 1.0411862443105804 Energy: 1.2774041951869797 Energy: 0.9721992298764434 Energy: 1.103569253163056 minimum gb energy = 0.9548172633279819 eV minimum distance = 2.12208887991317 Angstroms sigma value = 33