Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_002
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61472986638546
cohesive_energy=3.5402784093299027
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.76878552828076e-19, 3.1904143312842e-19, 3.5451362380517994e-19, 3.8490691455216e-19, 4.1124990276838794e-19, 4.34250750526092e-19, 4.54423756524786e-19, 4.721582496865319e-19, 4.8775864357179e-19, 5.01463662499026e-19, 5.13475180724124e-19, 5.23953415910484e-19, 5.3303775742526395e-19, 5.40845164162746e-19, 5.47476573250872e-19, 5.53020104404512e-19, 5.57552662102098e-19, 5.61141537762258e-19, 5.6384601192045e-19, 5.6572055858223e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65558738742196e-19, 5.633317132209359e-19, 5.599334965802219e-19, 5.84600608037286e-19, 5.795938060560359e-19, 5.72792566244706e-19, 5.6385722715688795e-19, 5.52377631574278e-19, 5.3785229821043395e-19, 5.196643890612659e-19, 4.97054472402258e-19, 4.6907726401935e-19, 4.34540744496846e-19, 3.91945276505322e-19, 3.3936023720080794e-19, 2.7429744627070197e-19, 1.93491667734912e-19, 9.2610615975102e-20, 8.87163654485016e-20, -4.76745281389674e-20, -2.2119009738350397e-19, -4.441089433550939e-19, -7.3385297455419e-19, -1.1156388490233178e-18, -1.5097983336368279e-18, -2.14374437982468e-18, -2.6998919330187602e-18, -3.4383992306947195e-18, -3.0094965457729197e-18]
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: 347.27213564342276
Energy: 357.96029399838665
Energy: 347.23900284632134
Energy: 347.2194220039123
Energy: 374.9607251144339
Energy: 347.2366273895538
Energy: 357.9602939983732
Energy: 369.1750870458441
Energy: 365.6844664428528
Energy: 368.2390241413654
Energy: 367.0319335220903
Energy: 367.1492104263402
Energy: 347.23900284632083
Energy: 365.6844664428528
Energy: 368.1887794099673
Energy: 347.23703592756686
Energy: 366.6250977415682
Energy: 369.1400977858899
Energy: 347.219422003912
Energy: 368.2390241413657
Energy: 347.2370359275674
Energy: 347.21438205699354
Energy: 364.272852290421
Energy: 347.2318157274166
Energy: 374.9607251144339
Energy: 367.03193352208996
Energy: 366.62509774156797
Energy: 364.272852290421
Energy: 369.53463907115605
Energy: 368.3253191750813
Energy: 347.2366273895532
Energy: 367.1492104263402
Energy: 369.1400977858904
Energy: 347.23181572741714
Energy: 368.3253191750816
Energy: 347.21568672997284

minimum gb energy = 347.21438205699354 eV
minimum distance =  2.55129773008615 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 558.9287014260431
Energy: 571.7602110087489
Energy: 562.550936048783
Energy: 560.4764588379691
Energy: 569.142784264567
Energy: 562.3651220726232
Energy: 570.191145132196
Energy: 566.3179670610459
Energy: 567.6615724245473
Energy: 566.8091352555322
Energy: 565.9453834637769
Energy: 568.0850596155352
Energy: 564.4044650697684
Energy: 568.850368046085
Energy: 566.4040734569754
Energy: 564.1438050190643
Energy: 568.8507849190187
Energy: 568.1906273972796
Energy: 565.5707003683375
Energy: 566.3707860360752
Energy: 564.0925167126397
Energy: 564.2670170736073
Energy: 566.2804515244375
Energy: 564.212261484602
Energy: 569.8181741391028
Energy: 566.9391249336937
Energy: 567.8605557779571
Energy: 567.7786649207196
Energy: 566.8859930960957
Energy: 566.2822389709482
Energy: 569.9644138242796
Energy: 568.3628453625698
Energy: 568.082473063806
Energy: 567.563877452879
Energy: 568.8595641733849
Energy: 568.9177360033672
Energy: 568.5857912101008
Energy: 568.0254997888231
Energy: 567.8368142823522
Energy: 568.5811840459206
Energy: 567.1598520530019
Energy: 566.5975410467126
Energy: 569.9815745808932
Energy: 564.9489239402709
Energy: 566.0998417989963
Energy: 567.7193868783145
Energy: 566.5613555186704
Energy: 567.7522659564916
Energy: 565.5381908748969
Energy: 568.1189420691886
Energy: 566.4482525391762
Energy: 568.5987136518611
Energy: 568.8812540363823
Energy: 568.9024269622198
Energy: 569.2273820123562
Energy: 568.2824313295849
Energy: 567.9312844502945
Energy: 568.5732912357513
Energy: 568.4870580053333
Energy: 567.009334217094
Energy: 570.134204041082
Energy: 562.9090049343253
Energy: 563.1680541446862
Energy: 565.8411685771385
Energy: 562.8766652394831
Energy: 566.9952378428568
Energy: 565.7009974189065
Energy: 567.3514327914361
Energy: 567.5859576944515
Energy: 566.360420375979
Energy: 566.133502494956
Energy: 568.3169502736481
Energy: 568.2639350207161
Energy: 566.3377347242437
Energy: 568.807659878223
Energy: 565.7649831950736
Energy: 564.5557661623931
Energy: 568.8007511443623
Energy: 566.6976663330586
Energy: 561.8414425564317
Energy: 561.8177580278019
Energy: 569.7854653254437
Energy: 562.0038627094073
Energy: 565.0446437410752
Energy: 568.4697951708663
Energy: 568.0156158236712
Energy: 568.812162377192
Energy: 568.0952277442249
Energy: 569.1128099261986
Energy: 568.5455159122836
Energy: 568.3040037917577
Energy: 568.7953096836538
Energy: 568.096606224513
Energy: 568.9545719508382
Energy: 566.6451386997694
Energy: 568.7989206629723
Energy: 567.208233948725
Energy: 564.5005381431911
Energy: 564.3156516383231
Energy: 568.7540793124605
Energy: 564.4564456334404
Energy: 566.5780390430117
Energy: 569.1372523667444
Energy: 568.629853162644
Energy: 566.4807093592842
Energy: 568.5272314780113
Energy: 569.0269769983418
Energy: 566.4963534585725
Energy: 568.6958696151097
Energy: 568.1519067059038
Energy: 568.0151833063703
Energy: 568.9474675295592
Energy: 568.9155132816398
Energy: 567.9475708348551
Energy: 568.9831762772775
Energy: 567.9242578165445
Energy: 568.1858810873864
Energy: 568.1640031071722
Energy: 568.1530737763378
Energy: 566.5407228884835
Energy: 567.9141974320167
Energy: 567.3707289144304
Energy: 565.9727137977932
Energy: 565.4557344874432
Energy: 567.8595199209432
Energy: 565.5443543800716
Energy: 565.7090910716197
Energy: 567.2256974222539
Energy: 567.8212192331932
Energy: 566.6568466787356
Energy: 568.7336620272926
Energy: 568.2483055529473
Energy: 567.7482069057933
Energy: 569.2739201924354
Energy: 567.9614972569287
Energy: 565.7955408849155
Energy: 565.9609220629409
Energy: 568.0470903839428

minimum gb energy = 558.9287014260431 eV
minimum distance =  2.36037941812402 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 495.17374135947125
Energy: 500.78581323754116
Energy: 498.2836189476895
Energy: 495.85716224736296
Energy: 500.1886005441954
Energy: 496.8855342610732
Energy: 496.45364208592895
Energy: 499.68490004805545
Energy: 499.49945674515016
Energy: 499.4504827176218
Energy: 497.0121507237726
Energy: 498.73728833697743
Energy: 491.7446641654924
Energy: 500.0318340066679
Energy: 498.9035883309102
Energy: 493.2497654300897
Energy: 499.95326646675426
Energy: 498.3282253793819
Energy: 492.3200059765078
Energy: 499.6491921346146
Energy: 499.1935720464437
Energy: 493.10665952646144
Energy: 501.0112593076173
Energy: 493.3074479312964
Energy: 501.79258658390745
Energy: 497.50760575290917
Energy: 500.14320632233085
Energy: 500.4520942192813
Energy: 498.0135991230232
Energy: 499.36591959459093
Energy: 501.1925199574104
Energy: 499.8800398459698
Energy: 499.47555475198493
Energy: 500.15910518433964
Energy: 498.67601337191536
Energy: 499.8967391577124
Energy: 500.51174602137553
Energy: 499.9214007369497
Energy: 499.8720627720109
Energy: 500.2910053533813
Energy: 499.99063299907135
Energy: 498.24697597169245
Energy: 500.64359118199576
Energy: 495.49810049995796
Energy: 495.7163716564787
Energy: 497.3992557726121
Energy: 496.2423413074724
Energy: 495.96679939315464
Energy: 500.3664525822113
Energy: 495.9135899426054
Energy: 499.61128934464216
Energy: 499.932018712513
Energy: 496.2223577216915
Energy: 498.42979727545963
Energy: 501.0178961942832
Energy: 499.3652220273719
Energy: 497.6783559196041
Energy: 499.1991003467275
Energy: 498.76429191811604
Energy: 499.81333508040177
Energy: 501.3769234027702
Energy: 497.94064982971656
Energy: 496.5916879424666
Energy: 498.84181052142515
Energy: 498.99450633722006
Energy: 497.99578588903444
Energy: 500.77778444872956
Energy: 496.61703362064543
Energy: 499.1972763111765
Energy: 497.53802024173353
Energy: 497.5488842791677
Energy: 499.4831468295586
Energy: 501.1581298181206
Energy: 497.984704276269
Energy: 500.50514419705047
Energy: 500.27561127334303
Energy: 498.6657336890889
Energy: 500.22529712059116
Energy: 502.7651565662547
Energy: 493.2303702837502
Energy: 493.43981819582837
Energy: 496.98454004317404
Energy: 493.37199321434326
Energy: 493.1172077540357
Energy: 499.53774902474663
Energy: 500.35286349587716
Energy: 499.9439050776231
Energy: 500.93573338357254
Energy: 500.41685705768725
Energy: 497.3189915186265
Energy: 499.1028084549447
Energy: 500.08083029537175
Energy: 500.03424247530825
Energy: 499.01284724043853
Energy: 499.83867279052726
Energy: 500.0439806125949
Energy: 499.3604238713297
Energy: 499.7363032241311
Energy: 500.1728661043075
Energy: 500.01496650449843
Energy: 498.8617518770631
Energy: 497.37247868917916
Energy: 494.84297359093694
Energy: 500.11694249669284
Energy: 499.96276445053854
Energy: 496.4921176500084
Energy: 500.28262085830136
Energy: 496.1355700301406
Energy: 496.21144582575465
Energy: 499.90511419416333
Energy: 499.72745344912477
Energy: 496.43811847043554
Energy: 498.9988457595105
Energy: 499.9359977938987
Energy: 500.9403402769848
Energy: 499.54894802648
Energy: 499.91607567230085
Energy: 500.1924109817371
Energy: 499.50999672606355
Energy: 499.5044538368615
Energy: 499.65897566364833
Energy: 497.83392493184544
Energy: 498.3154632962068
Energy: 498.8719974288582
Energy: 500.40739995905597
Energy: 496.9802940430961
Energy: 499.0806614300746
Energy: 499.51143387866585
Energy: 499.9059950125242
Energy: 498.68296874777866
Energy: 498.82773603922936
Energy: 500.07874787548866
Energy: 500.26662048309134
Energy: 499.9603272891427
Energy: 499.75708374571775
Energy: 499.1266661456584
Energy: 497.03636497213057
Energy: 498.3724647221856
Energy: 491.8878167083444
Energy: 500.68836909403194
Energy: 502.6936702622001
Energy: 492.9324948578861
Energy: 499.90863602950566
Energy: 493.1075040944225
Energy: 501.31099352238766
Energy: 498.5845449817361
Energy: 499.58644795535866
Energy: 499.9212078946399
Energy: 500.06575299186244
Energy: 499.6497072251159
Energy: 501.0040274490433
Energy: 498.800916079137
Energy: 498.73047780854637
Energy: 499.97413727609865
Energy: 499.90973800579536
Energy: 499.45706862008484
Energy: 496.3378316356978
Energy: 499.9613442855417
Energy: 499.55613022441145
Energy: 498.7495203945612
Energy: 499.87482598047797
Energy: 499.48268378224606
Energy: 499.7997834340644
Energy: 496.36059655593647
Energy: 496.19865386481814
Energy: 498.5335517393282
Energy: 495.7089736571442
Energy: 499.7952000610747
Energy: 498.3792733273026
Energy: 496.6639340944625
Energy: 495.5066986042448
Energy: 499.627765197896
Energy: 496.1134363813409
Energy: 497.5664886073805
Energy: 499.2351245021481
Energy: 498.52485992136104
Energy: 499.8727107323084
Energy: 499.90593283393474
Energy: 499.9706623524129
Energy: 499.8601149045134
Energy: 496.50257032369154
Energy: 496.73893777656826
Energy: 497.4151562313798
Energy: 499.0510565702976
Energy: 497.0620773731256
Energy: 497.1963909609758
Energy: 500.11427538988534
Energy: 497.8165119713904
Energy: 497.8707560056285
Energy: 496.8484503373883
Energy: 498.0433662437208
Energy: 499.6848230400313
Energy: 496.4536004634065
Energy: 498.5422057616979
Energy: 499.7522540455796
Energy: 497.7267886286612
Energy: 500.51623983103207
Energy: 499.36930890895803
Energy: 500.87735424755937
Energy: 492.9656426556996
Energy: 492.94189427932
Energy: 499.97068589883116
Energy: 492.9586117331517
Energy: 493.21170838910723
Energy: 498.63885016367107
Energy: 497.8038882882253
Energy: 497.6862222447456
Energy: 500.4177726172055
Energy: 497.8008677959563
Energy: 499.53600103106857
Energy: 499.27762772868937
Energy: 497.3947575000253
Energy: 499.6648066645192
Energy: 498.23486847467
Energy: 498.7917158224175
Energy: 499.34703556093785
Energy: 498.9827294016167
Energy: 498.9331156394115
Energy: 499.84402430747303
Energy: 498.6018351517705
Energy: 500.5249170425307
Energy: 500.36869950567075
Energy: 494.9184019888556
Energy: 499.13801256746797
Energy: 499.0068024002286
Energy: 495.61819194907775
Energy: 497.5628435108258
Energy: 499.875044264625
Energy: 496.2781077900506
Energy: 498.36308015291377
Energy: 499.38509750045137
Energy: 495.726767396387
Energy: 499.6200650216881
Energy: 496.1714991790713
Energy: 501.52565613348884
Energy: 499.1150509082456
Energy: 498.89150507896
Energy: 499.00842542117255
Energy: 497.4206158148426
Energy: 499.05563662784647
Energy: 498.32141902488155
Energy: 500.00886286506284
Energy: 497.37172873342735
Energy: 498.1966235710949
Energy: 499.8175853983595
Energy: 495.71129199763465

minimum gb energy = 491.7446641654924 eV
minimum distance =  2.34088575935427 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 424.48804489265603
Energy: 433.5000426681731
Energy: 432.93046166344425
Energy: 425.90371052766045
Energy: 435.13644530745444
Energy: 425.784014348553
Energy: 434.26510574337146
Energy: 430.45194278573115
Energy: 431.90270726025904
Energy: 434.3333903820713
Energy: 433.34864765464044
Energy: 433.92725500975047
Energy: 426.8347212226331
Energy: 431.09513125298145
Energy: 432.4420418646214
Energy: 433.62441565769
Energy: 430.2199046937166
Energy: 430.5966563947684
Energy: 426.07994067995185
Energy: 431.25459054099207
Energy: 434.516688348161
Energy: 427.53349900507567
Energy: 433.66812992248396
Energy: 427.3815177084251
Energy: 432.87695236244167
Energy: 432.84970488125214
Energy: 433.62404006090054
Energy: 433.27194296498027
Energy: 432.8415894031312
Energy: 433.41571886816814
Energy: 432.95555363510533
Energy: 432.8741656193597
Energy: 432.9470264375438
Energy: 431.6239378445595
Energy: 433.043092336141
Energy: 430.75438331884556
Energy: 433.9232952431242
Energy: 433.8063548297713
Energy: 433.49324235531935
Energy: 431.321072720538
Energy: 431.11967023362655
Energy: 432.9727397755725
Energy: 433.91289872712656
Energy: 430.6503910314493
Energy: 428.8174085966452
Energy: 431.12961072814153
Energy: 429.28852408737663
Energy: 429.05006052998556
Energy: 433.1114761961353
Energy: 430.4836294900712
Energy: 430.63495338175164
Energy: 432.6122681764311
Energy: 430.1294056317185
Energy: 433.543977793241
Energy: 433.997623708931
Energy: 434.2854360828315
Energy: 433.80265012843574
Energy: 433.68936230190013
Energy: 434.53998596812966
Energy: 433.8817756846625
Energy: 436.38439928890284
Energy: 427.35054759707106
Energy: 427.80693453173853
Energy: 432.0138065006821
Energy: 428.2867778993137
Energy: 428.38756716245473
Energy: 431.85879115451866
Energy: 434.1528107018404
Energy: 433.6388228424863
Energy: 432.0345630909495
Energy: 427.39082105270984
Energy: 432.8455167278927
Energy: 434.0399085019461
Energy: 433.7802928561838
Energy: 431.20438900204334
Energy: 431.5533339195143
Energy: 433.1917255243747
Energy: 433.67906878119896
Energy: 434.62123038004364
Energy: 434.28256553313327
Energy: 434.6437930187333
Energy: 434.20951401629446
Energy: 433.67004070785845
Energy: 430.63955934048545
Energy: 428.0370250065772
Energy: 432.74067704618403
Energy: 430.6987106965018
Energy: 429.31676217984705
Energy: 433.57431166682335
Energy: 432.1042311688611
Energy: 427.8785111298708
Energy: 430.88337716531123
Energy: 432.7900858798522
Energy: 430.32176893000684
Energy: 431.495744139364
Energy: 430.07607205270193
Energy: 434.651881257334
Energy: 432.162217259045
Energy: 430.78696784143966
Energy: 433.8190101378409
Energy: 433.62913318286155
Energy: 431.9124427861884
Energy: 424.41674449570064
Energy: 434.83122587246874
Energy: 430.0721497425938
Energy: 426.1530089405413
Energy: 433.1877641906819
Energy: 428.83804092155594

minimum gb energy = 424.41674449570064 eV
minimum distance =  2.3488174671861 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 361.8685421082262
Energy: 366.51008557235065
Energy: 363.31514189082594
Energy: 362.0487912588623
Energy: 371.94047323560784
Energy: 363.47638494949837
Energy: 371.90988393275006
Energy: 371.7558289027009
Energy: 370.1062001622327
Energy: 370.8217665775964
Energy: 365.90500911893304
Energy: 369.27435305091757
Energy: 373.05420425723133
Energy: 368.787117736144
Energy: 369.6362491942025
Energy: 368.65188009135886
Energy: 370.5884034057961
Energy: 371.4265198328276
Energy: 357.16585261486233
Energy: 372.3006932197412
Energy: 371.7641053367905
Energy: 357.88991388682956
Energy: 372.8856332406966
Energy: 369.74338407714947
Energy: 370.8465074649571
Energy: 371.07690161515296
Energy: 370.3868673522648
Energy: 370.94100616831594
Energy: 371.3736982399626
Energy: 366.14816985490035
Energy: 369.1940065278647
Energy: 361.5209942853914
Energy: 370.52768558484127
Energy: 369.9631751028309
Energy: 362.4273817935615
Energy: 369.0510024981108
Energy: 370.8036926832891
Energy: 370.43424282914094
Energy: 365.5559805117343
Energy: 370.1701986780373
Energy: 370.82847057862784
Energy: 370.8142671679763
Energy: 371.3020516262003
Energy: 361.7185734943621
Energy: 361.5915690628375
Energy: 371.4157283968889
Energy: 362.7918867309335
Energy: 362.9915575722514
Energy: 371.05670401610206
Energy: 362.5904352474656
Energy: 361.8561274351271
Energy: 369.9221120577707
Energy: 362.9839999682919
Energy: 361.5669501057571
Energy: 371.2439984545521
Energy: 371.80644491308163
Energy: 370.6955888711599
Energy: 367.9786789562698
Energy: 370.4045597710109
Energy: 368.1385684555509
Energy: 373.3401306127349
Energy: 357.53331873057306
Energy: 358.06328126086794
Energy: 372.21141560150505
Energy: 357.8943031051443
Energy: 370.02831530285465
Energy: 370.64922603052696
Energy: 365.9952312060286
Energy: 366.0442069224129
Energy: 371.77916372719045
Energy: 366.40190305303514
Energy: 370.96202229395993
Energy: 361.24149040372595
Energy: 371.3860429071613
Energy: 369.1237973939045
Energy: 361.4366932968338
Energy: 368.3504988999547
Energy: 369.70220902161475
Energy: 371.9561696181966
Energy: 369.1941510210494
Energy: 371.28627896931295
Energy: 365.1127353074064
Energy: 370.89585924806676
Energy: 368.5384894641224
Energy: 363.98194422850304
Energy: 366.54741247701463
Energy: 370.7964442872463
Energy: 363.02655050488096
Energy: 371.41133399530696
Energy: 361.5978586525605
Energy: 360.88378631185435
Energy: 371.0040356132121
Energy: 362.63094690097716
Energy: 362.34688038656077
Energy: 371.1030332543592
Energy: 362.3029071807707
Energy: 368.33120604215225
Energy: 371.2335794706144
Energy: 371.29955467626917
Energy: 370.76770497517947
Energy: 370.18009697602207
Energy: 369.3031873177799
Energy: 357.1810346308086
Energy: 369.6567226147404
Energy: 369.6916746756038
Energy: 357.89007248549245
Energy: 372.0266622825076
Energy: 371.4757160470481
Energy: 356.9515792951873
Energy: 369.7383759037143
Energy: 368.02222688941123
Energy: 357.8964466351045
Energy: 365.06179341013234
Energy: 371.40091356309074
Energy: 371.9474704974332
Energy: 361.3919518290813
Energy: 369.41600804272036
Energy: 369.39471956532674
Energy: 361.6071465639398
Energy: 371.40399654794044
Energy: 371.69398441088634
Energy: 370.58202625198
Energy: 371.1669487396943
Energy: 370.85264347728025
Energy: 369.7414425472377
Energy: 365.625812090201
Energy: 368.9325260078611
Energy: 368.4833582852169
Energy: 370.55046085834067
Energy: 369.68395019608033
Energy: 368.9738182205535
Energy: 370.7807359776946
Energy: 371.6162409852511
Energy: 361.7437812321195
Energy: 363.3787137873307
Energy: 370.48150496351855
Energy: 363.38416910086283
Energy: 362.04778321855576
Energy: 367.73519900883144
Energy: 367.25317792400233
Energy: 371.6654717162185
Energy: 368.71713288942897
Energy: 361.63900287782116
Energy: 370.1627014210818
Energy: 368.8441077304047
Energy: 369.9137165417285
Energy: 365.1814966453631
Energy: 371.8401969242923
Energy: 370.90401069169957
Energy: 370.825211144536
Energy: 373.9334059530964
Energy: 358.1624999610887
Energy: 358.0061744145884
Energy: 370.3242667452003
Energy: 357.8837641035129
Energy: 367.6223788248635
Energy: 371.3687329769897
Energy: 371.31806990816045
Energy: 368.0706196648158
Energy: 366.5817880341351
Energy: 370.7164742479191
Energy: 365.47652298832145
Energy: 361.0205466498947
Energy: 370.5499193702259
Energy: 370.5951426782057
Energy: 361.4451535507559
Energy: 369.9775226298079
Energy: 369.4461438748365
Energy: 372.0145125502525
Energy: 371.56672794409235
Energy: 369.5973283146758
Energy: 369.21930338385124
Energy: 370.616625220643
Energy: 371.3109264935519
Energy: 360.6403869373914
Energy: 371.6629817229093
Energy: 361.45024550974915
Energy: 363.09211656262903
Energy: 370.6591975501493
Energy: 361.5647513800845

minimum gb energy = 356.9515792951873 eV
minimum distance =  2.36869513521675 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 437.32169734145504
Energy: 449.26975705888776
Energy: 445.55089833963643
Energy: 438.67008729422537
Energy: 448.8724768882836
Energy: 444.9854029331088
Energy: 449.818749369313
Energy: 449.2377828805153
Energy: 448.02620985284256
Energy: 448.53772543558654
Energy: 445.8270939566619
Energy: 446.110368885752
Energy: 449.24489512238125
Energy: 447.4545842548336
Energy: 448.1433266902184
Energy: 449.599094604453
Energy: 449.6952531499101
Energy: 446.02090900800835
Energy: 449.88343740097514
Energy: 449.4222895737507
Energy: 449.84927538468514
Energy: 448.9888923201267
Energy: 450.1299507273692
Energy: 446.0866053637505
Energy: 449.59968919765544
Energy: 442.8623399674678
Energy: 449.03900149481746
Energy: 449.057898583337
Energy: 442.72716688103367
Energy: 447.8489154260911
Energy: 444.8981059821057
Energy: 443.1206830162688
Energy: 443.3048336267335
Energy: 448.4748106618742
Energy: 442.7419762809323
Energy: 442.67156458474494
Energy: 448.2355342716714
Energy: 446.74618635795457
Energy: 448.5015022715389
Energy: 445.2722736227709
Energy: 445.1307326737679
Energy: 447.37165721884
Energy: 450.5715126838219
Energy: 440.6304296106893
Energy: 440.37096893871075
Energy: 444.5925687368789
Energy: 440.4910500299301
Energy: 440.71941748342283
Energy: 451.14389073139665
Energy: 440.3201363540334
Energy: 447.7730599367079
Energy: 449.4103741453642
Energy: 440.30788185914713
Energy: 448.6982711588025
Energy: 447.2585129314731
Energy: 448.08897577352263
Energy: 446.0602109755931
Energy: 446.29044060702995
Energy: 448.0297370451389
Energy: 448.7710562327392
Energy: 446.26646591541805
Energy: 447.9374744455061
Energy: 447.36085077771145
Energy: 447.33637441241694
Energy: 447.2467072480118
Energy: 445.5883157758411
Energy: 447.2893357827172
Energy: 445.1682130246817
Energy: 445.1458667006614
Energy: 447.8429922493265
Energy: 448.71253888426224
Energy: 445.2599970455336

minimum gb energy = 437.32169734145504 eV
minimum distance =  2.37975286922291 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 524.826775512024
Energy: 532.4975476546506
Energy: 523.6417315178643
Energy: 521.9668399717006
Energy: 530.1842102480198
Energy: 523.7238947071422
Energy: 531.3429965139737
Energy: 526.3555953170546
Energy: 527.084838714718
Energy: 526.1981127182564
Energy: 528.4342435416913
Energy: 528.8891909265325
Energy: 528.3966298508752
Energy: 528.6938584125664
Energy: 526.3299637148912
Energy: 528.6903754192341
Energy: 528.7085504458665
Energy: 527.8600417750754
Energy: 528.706863926478
Energy: 529.2728968912268
Energy: 526.3526495044388
Energy: 528.2466513815109
Energy: 527.6199379404767
Energy: 527.4426739521593
Energy: 530.2709007540246
Energy: 525.3681596857002
Energy: 525.5912313017567
Energy: 527.8207160471327
Energy: 526.84761903731
Energy: 526.3609940962583
Energy: 529.8150217306867
Energy: 522.3576982024629
Energy: 527.7972027012314
Energy: 525.759601016887
Energy: 522.3802532666666
Energy: 526.466295251285
Energy: 529.4403867041627
Energy: 528.7984682964645
Energy: 526.302278893699
Energy: 526.1710698264981
Energy: 527.0190524486452
Energy: 527.1364731549077
Energy: 529.2727840845819
Energy: 523.772268717298
Energy: 529.8009071876846
Energy: 529.607961013601
Energy: 524.2973713656877
Energy: 529.0970931274529
Energy: 528.9129341658678
Energy: 529.1370517913512
Energy: 528.1338322466246
Energy: 529.0297855938638
Energy: 527.923573805695
Energy: 526.5462610881985
Energy: 527.0001190295383
Energy: 528.1852250458479
Energy: 528.5896234083315
Energy: 527.152847112413
Energy: 529.6285473080618
Energy: 526.9738526710048
Energy: 524.2653349482086
Energy: 526.6507154484522
Energy: 527.2979990932413
Energy: 525.7673542436881
Energy: 528.3492252958649
Energy: 527.6307910828061
Energy: 529.8923260567979
Energy: 526.3627734625503
Energy: 527.0379528735505
Energy: 528.7724752772762
Energy: 528.8705743688549
Energy: 527.0762705066102
Energy: 525.537616498063
Energy: 532.0198457939565
Energy: 523.315945898786
Energy: 525.3274274044309
Energy: 530.4983604233657
Energy: 525.4751062576693
Energy: 528.1895794898235
Energy: 526.2863276141314
Energy: 528.5682371992127
Energy: 526.2862002330043
Energy: 527.2860850357434
Energy: 528.6483114993437
Energy: 529.5915071984824
Energy: 524.5007231397964
Energy: 526.0695395832763
Energy: 528.7767358892374
Energy: 526.131578313337
Energy: 526.6756944537337
Energy: 525.5894781453251
Energy: 528.143496186785
Energy: 528.7513085876969
Energy: 528.0253268422621
Energy: 527.852493720369
Energy: 527.287783118187
Energy: 530.6734251800983
Energy: 523.7656258867827
Energy: 523.7709123612333
Energy: 530.5331849384618
Energy: 523.7083101546341
Energy: 528.0958928263015
Energy: 529.6691622798096
Energy: 520.8257641312457
Energy: 525.5608172462455
Energy: 527.1961756132544
Energy: 521.3454725171963
Energy: 523.4606768613401
Energy: 525.4230441302274
Energy: 527.0126732969044
Energy: 528.0294497445761
Energy: 527.5597114479738
Energy: 528.8893540395695
Energy: 528.3279471319329
Energy: 527.6493895338011
Energy: 528.8850197014589
Energy: 527.6417412939707
Energy: 527.5283561940464
Energy: 526.1617209647496
Energy: 527.3368962056015
Energy: 527.9538043800587
Energy: 526.2435260663848
Energy: 527.3404755723042
Energy: 526.3627480316786
Energy: 527.1707286709111
Energy: 527.3770539128571
Energy: 521.408780537368
Energy: 528.3783134278983
Energy: 527.3706611221985
Energy: 522.5842114099056
Energy: 529.1910613115488
Energy: 522.4523203355421
Energy: 521.6048133713798
Energy: 526.2519571288492
Energy: 529.1625313684837
Energy: 522.5069820502526
Energy: 528.8552097030671
Energy: 526.1573097373731
Energy: 528.7768663152909
Energy: 527.9280831004696
Energy: 527.302325335778
Energy: 528.7785201622262
Energy: 527.5032130344525
Energy: 526.5061651767454
Energy: 527.6730447665824
Energy: 527.700145050094
Energy: 529.7223237742671
Energy: 527.4881254571613
Energy: 529.8318606670597
Energy: 529.496360512753
Energy: 525.7934341223413
Energy: 528.6789159767069
Energy: 527.1212648863907
Energy: 527.3277237605505
Energy: 526.4665367357115
Energy: 528.1778030729776
Energy: 530.1863559207953
Energy: 522.4507090892705
Energy: 522.4096148390805
Energy: 531.2585159108802
Energy: 522.4005950538948
Energy: 528.9399994587742
Energy: 527.6972241932924
Energy: 526.4285958479079
Energy: 528.0905867191879
Energy: 528.9108669340794
Energy: 527.5319583132898
Energy: 526.2905629311055
Energy: 528.9404045285128
Energy: 526.3977944781683
Energy: 526.5128832497973
Energy: 526.3822222934904
Energy: 528.4492383657048
Energy: 526.4365731518712
Energy: 529.5547622271989
Energy: 523.7782505173933
Energy: 528.1996224169905
Energy: 529.5098496977291
Energy: 523.6721924385447
Energy: 529.5022743384105
Energy: 525.2845664896594
Energy: 526.5783171240712
Energy: 528.0940648444878
Energy: 526.0530802720776
Energy: 529.112533823934
Energy: 526.5685069273935
Energy: 526.9455832181675
Energy: 530.0661672784987
Energy: 530.1030876661362
Energy: 526.7157591197046
Energy: 528.5096852762676
Energy: 526.2012194502189
Energy: 529.5915969019622
Energy: 527.523362499446
Energy: 528.840623139602
Energy: 528.5626538830104
Energy: 528.8097648183349
Energy: 526.4726278453428
Energy: 525.9317264354892
Energy: 525.7547145786145
Energy: 528.9445119015485
Energy: 523.9096238266378
Energy: 527.7367706929306
Energy: 523.9975636926408
Energy: 522.9142563278123
Energy: 526.3713920544369
Energy: 528.2039401054832
Energy: 523.808006853204
Energy: 529.8825900003933
Energy: 526.5322263192908
Energy: 529.8820581188185
Energy: 525.5814719585962
Energy: 527.6692753847119
Energy: 529.0464524452726
Energy: 525.3105500853661
Energy: 528.3844493833204
Energy: 528.2661769848567
Energy: 526.5001314838862
Energy: 527.4838915975337
Energy: 528.6153985567729
Energy: 528.9974910098894
Energy: 527.4495164361939
Energy: 530.0744217551425
Energy: 527.2482211936489
Energy: 527.7972973835144
Energy: 527.1309895685745
Energy: 527.7885510793295
Energy: 527.3091522646342
Energy: 532.4999024468968
Energy: 520.5923971468127
Energy: 521.0007033026351
Energy: 530.3459004754184
Energy: 520.6402522392937
Energy: 526.9022989490977
Energy: 529.5566457790844
Energy: 526.3043471408126
Energy: 527.5810661749724
Energy: 527.9167261797754
Energy: 526.4584901015306
Energy: 527.3860180353164
Energy: 525.9768037532681
Energy: 528.4665568328319
Energy: 527.2607256596322
Energy: 526.632624414088
Energy: 528.6644203736334
Energy: 526.3271238246674
Energy: 529.5663017547554
Energy: 526.2128053140209
Energy: 526.2876173476717
Energy: 529.4424017374275
Energy: 528.286845659881
Energy: 528.7213006281598
Energy: 521.9996206105324
Energy: 529.2298602629428
Energy: 528.9145880614955
Energy: 522.54580184846
Energy: 529.2749509039568
Energy: 524.8789471679235

minimum gb energy = 520.5923971468127 eV
minimum distance =  2.38252817411604 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 460.56359683818783
Energy: 473.88684611947195
Energy: 460.88935178620477
Energy: 460.3002844256846
Energy: 470.88667038945607
Energy: 461.0983734323313
Energy: 476.19909257083856
Energy: 473.5964410183067
Energy: 472.77076263311244
Energy: 475.62200442895653
Energy: 473.8850496957263
Energy: 470.3013797761695
Energy: 474.7508450877854
Energy: 472.0093624144704
Energy: 468.1118631564665
Energy: 467.5026967894062
Energy: 469.88088784536995
Energy: 474.3326190789603
Energy: 476.86553592563206
Energy: 470.417066037585
Energy: 467.72445406807634
Energy: 468.07347978909075
Energy: 474.2542769394596
Energy: 474.7487692230002
Energy: 474.5416866537156
Energy: 461.65430765818144
Energy: 461.0623670246967
Energy: 472.59008693766566
Energy: 461.7157101796283
Energy: 474.4989780733499
Energy: 474.7306854536147
Energy: 461.58577225971413
Energy: 461.1002989274002
Energy: 474.2066227700115
Energy: 461.60934475512283
Energy: 461.16471824449286
Energy: 476.5018399177087
Energy: 472.5462045946117
Energy: 471.5244889070452
Energy: 473.7532054446896
Energy: 467.81458783022794
Energy: 472.104390993613
Energy: 474.74542058978125
Energy: 477.2378584017323
Energy: 474.343612511095
Energy: 477.07926622897054
Energy: 473.6326797780599
Energy: 474.13873538346
Energy: 476.55757779973925
Energy: 474.99059216782825
Energy: 472.69616593421966
Energy: 474.75418692193017
Energy: 474.19438155425365
Energy: 473.8122596652802
Energy: 460.5429550926463
Energy: 474.8481148768636
Energy: 461.0954716117284
Energy: 460.8420946728594
Energy: 469.81387555264837
Energy: 461.09966863327946
Energy: 460.44376647940004
Energy: 474.1435233535131
Energy: 474.38763465063573
Energy: 461.69237922482904
Energy: 467.1094432421574
Energy: 460.98995227054553
Energy: 471.9076688459007
Energy: 474.7494256509816
Energy: 473.48202834146707
Energy: 474.72266558608123
Energy: 474.5017062625102
Energy: 472.32929718686654
Energy: 474.52338736459814
Energy: 475.5803663549154
Energy: 475.40155683012676
Energy: 472.5292410506694
Energy: 478.3563289493761
Energy: 476.3349329637924
Energy: 471.6880322996679
Energy: 470.23128297680364
Energy: 471.98562185740155
Energy: 471.43697465044164
Energy: 474.5698261466296
Energy: 467.67187064560403
Energy: 473.93638181102625
Energy: 460.585792118489
Energy: 461.0989325634964
Energy: 473.5756059147979
Energy: 460.35408960546295
Energy: 461.22427513474815
Energy: 470.83041790503273
Energy: 473.99789136475704
Energy: 473.5947692549908
Energy: 473.087710616811
Energy: 461.1822193279379
Energy: 472.0294227980072
Energy: 471.47490180514677
Energy: 472.95780506613136
Energy: 471.96604694986286
Energy: 467.1656790738376
Energy: 473.5390938858503
Energy: 469.389996423593
Energy: 474.76339336805665
Energy: 476.49085478401327
Energy: 477.0982771810873
Energy: 476.5724021503971
Energy: 471.80165613270134
Energy: 473.67817919234824
Energy: 462.33425725942067
Energy: 473.3341621931659
Energy: 472.22749586302245
Energy: 461.34076186193664
Energy: 473.16902257923505
Energy: 473.2663446267104

minimum gb energy = 460.3002844256846 eV
minimum distance =  2.42312082185167 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 624.2270556240396
Energy: 636.4439878958848
Energy: 626.6506535621508
Energy: 625.1676404405921
Energy: 635.0598668181298
Energy: 628.9035930403464
Energy: 633.7325277548822
Energy: 632.144128820145
Energy: 631.7084864810051
Energy: 631.7741690326772
Energy: 632.2166335880579
Energy: 632.2787117319475
Energy: 629.7654706036475
Energy: 632.6813614238679
Energy: 632.6315716513512
Energy: 630.3977355937293
Energy: 632.1122114530167
Energy: 632.6762186089042
Energy: 632.7642186678573
Energy: 632.8744938904315
Energy: 632.6427066704332
Energy: 632.2364350637262
Energy: 631.6657841859134
Energy: 631.9596357092556
Energy: 633.868035962611
Energy: 628.4844383257198
Energy: 628.6537420934926
Energy: 631.7537531155532
Energy: 626.0471009827994
Energy: 630.5907289030307
Energy: 631.5720316996631
Energy: 626.6158809770563
Energy: 626.7339751830872
Energy: 634.2896976798254
Energy: 625.7370734703229
Energy: 628.5924406044561
Energy: 633.6417987576107
Energy: 630.7588625446759
Energy: 632.7992109774259
Energy: 632.1937338694911
Energy: 631.8110085729917
Energy: 631.6418124786657
Energy: 630.4583500610977
Energy: 631.8251412673848
Energy: 631.6008638691526
Energy: 630.4318231379697
Energy: 631.1589731184864
Energy: 630.7668042419591
Energy: 634.0702661593857
Energy: 632.8616817591208
Energy: 631.2645005311057
Energy: 632.7905061684546
Energy: 632.4634378199761
Energy: 632.8801978514696
Energy: 625.3691267348333
Energy: 634.7694865389213
Energy: 633.2248502184564
Energy: 626.07269565271
Energy: 632.6470994694291
Energy: 628.2465018609834
Energy: 629.8625430822198
Energy: 632.1675237416896
Energy: 633.7766946876691
Energy: 628.2428462756648
Energy: 632.3849972690739
Energy: 630.5147414371029
Energy: 634.3633865071937
Energy: 630.1448342876615
Energy: 632.5765012046702
Energy: 633.4950537007683
Energy: 629.6544451044228
Energy: 631.3649163973828
Energy: 632.9785585856249
Energy: 630.1388060422134
Energy: 630.3224247263678
Energy: 632.0184798301448
Energy: 629.6455656702876
Energy: 631.7926482322067
Energy: 633.350034578355
Energy: 632.4804177205629
Energy: 632.835949011556
Energy: 631.4355925440881
Energy: 632.0194717656199
Energy: 631.2095429350924
Energy: 633.757409985075
Energy: 629.5421755424043
Energy: 630.0727607333981
Energy: 634.8912405828858
Energy: 630.207017971461
Energy: 634.3801557852162
Energy: 634.3929500270557
Energy: 633.0736254244083
Energy: 630.5158408116489
Energy: 633.5483811395586
Energy: 631.8408920546692
Energy: 630.5367249064192
Energy: 627.7542843919234
Energy: 634.5423181790786
Energy: 629.220932481864
Energy: 627.319691538575
Energy: 632.1982234294353
Energy: 632.4321258458077
Energy: 631.956691646519
Energy: 630.1659361970959
Energy: 632.9539848838431
Energy: 631.1101333368861
Energy: 632.982803836455
Energy: 632.4705534246172
Energy: 633.8809236198551
Energy: 631.2792449231611
Energy: 630.6206343630645
Energy: 633.2177303488634
Energy: 632.9125544073089
Energy: 633.0678825581215
Energy: 627.7773873545498
Energy: 633.7384470363993
Energy: 630.4619854436818
Energy: 628.0188142361877
Energy: 634.2696363684313
Energy: 632.0261730554191
Energy: 633.7378452384621
Energy: 632.2708448413566
Energy: 630.4285552976102
Energy: 633.2411478757585
Energy: 630.8550860660267
Energy: 630.4185420042076
Energy: 635.9461632960703
Energy: 626.9981574560691
Energy: 627.785869779958
Energy: 635.3792175854018
Energy: 628.669167263866
Energy: 632.7990207460134
Energy: 633.488588366249
Energy: 632.3866975685626
Energy: 632.8797655764067
Energy: 632.0129949737864
Energy: 633.1914256656141
Energy: 630.5617247809491
Energy: 631.3559095318336
Energy: 632.7891104318621
Energy: 630.5828565314177
Energy: 632.2061877324014
Energy: 632.2781033117222
Energy: 630.6123878062093
Energy: 633.7139693138485
Energy: 632.1905424061815
Energy: 631.844418064701
Energy: 630.905536345999
Energy: 630.3167175150139
Energy: 630.2344838968235
Energy: 629.0349709105994
Energy: 630.5392167347597
Energy: 630.9318564660568
Energy: 627.7670248130248
Energy: 632.9788847856912
Energy: 631.0437624315038

minimum gb energy = 624.2270556240396 eV
minimum distance =  2.35880558661305 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 394.7841911720829
Energy: 408.7775122300931
Energy: 400.87113081242694
Energy: 396.4740047336625
Energy: 408.79588337093736
Energy: 396.147729915712
Energy: 405.4239853129202
Energy: 403.0268238157085
Energy: 403.11792142066645
Energy: 404.40671473896884
Energy: 404.3396884736997
Energy: 403.6798125963176
Energy: 405.5666348007813
Energy: 404.1547463588478
Energy: 403.6691300476205
Energy: 401.9126944501088
Energy: 402.2732520987712
Energy: 404.0656802784937
Energy: 401.61527289818184
Energy: 402.9882391655913
Energy: 403.7891910851624
Energy: 401.7212969324699
Energy: 403.0480030353378
Energy: 403.8782982338933
Energy: 404.1529076380525
Energy: 397.3121201668768
Energy: 398.1061360751371
Energy: 402.1927841131226
Energy: 397.5858323281753
Energy: 404.64560162559843
Energy: 403.3395931900385
Energy: 397.2632300969695
Energy: 397.35835616328706
Energy: 402.59823622281004
Energy: 397.80502960037774
Energy: 399.17684034432335
Energy: 405.18154088224713
Energy: 403.8177626698273
Energy: 403.9633621054754
Energy: 401.156011984498
Energy: 402.57162795739293
Energy: 403.20255075683934
Energy: 398.97277335470466
Energy: 402.06947015251677
Energy: 401.611420310769
Energy: 400.0099662811699
Energy: 404.43501700046227
Energy: 400.0108878009815
Energy: 404.68457095238534
Energy: 403.0362802647744
Energy: 401.3487988340629
Energy: 404.24362832606295
Energy: 401.97131127354004
Energy: 404.14101757290416
Energy: 397.53707101230873
Energy: 405.54685907788263
Energy: 404.42526296516
Energy: 398.156325162006
Energy: 403.7164377676341
Energy: 405.0890408672674
Energy: 398.34899067818213
Energy: 404.72485015794354
Energy: 404.4263323325775
Energy: 397.8514712350904
Energy: 404.4293096687477
Energy: 402.52280973783013
Energy: 406.0902063477338
Energy: 401.2527811246636
Energy: 401.2560119568838
Energy: 404.59053182174904
Energy: 399.2603847146676
Energy: 405.12180313337865
Energy: 405.0308196013706
Energy: 400.81819222375333
Energy: 399.3990339092792
Energy: 404.51524035983056
Energy: 402.18489955439895
Energy: 399.387717558803
Energy: 403.1836761000815
Energy: 402.8573662885752
Energy: 404.38905741772004
Energy: 403.9233171740697
Energy: 403.9293672850842
Energy: 403.3396666352711
Energy: 402.8193877402336
Energy: 401.4063216716378
Energy: 404.8104283131064
Energy: 401.1042032802772
Energy: 404.09740375168883
Energy: 403.9354232596513
Energy: 405.44405319199694
Energy: 404.0659861470423
Energy: 402.7539856108291
Energy: 402.429723315629
Energy: 403.7638333986987
Energy: 403.51093738796646
Energy: 395.26664388556753
Energy: 406.84722970922587
Energy: 403.29908501431447
Energy: 396.4194485174768
Energy: 404.6599954595148
Energy: 396.2059819136491
Energy: 403.02769473250396
Energy: 402.5703350718315
Energy: 401.8545191161631
Energy: 399.12411375245574
Energy: 402.3349910816426
Energy: 401.1163526788742
Energy: 405.14325320796706
Energy: 403.8601550508977
Energy: 403.1513708412554
Energy: 404.222813699782
Energy: 403.4759049812748
Energy: 404.0805136133855
Energy: 401.9693768151168
Energy: 403.8182660640671
Energy: 403.3604829244725
Energy: 401.05524636543157
Energy: 402.5423767938996
Energy: 403.15832708293163
Energy: 406.39575259922987
Energy: 401.4439005529331
Energy: 404.0984349918847
Energy: 403.3506782313956
Energy: 402.16899636625175
Energy: 404.44387320070894
Energy: 404.69972644816943
Energy: 400.1735918784014
Energy: 397.5694935095688
Energy: 407.127934011561
Energy: 399.5361014808617
Energy: 398.69759628379205
Energy: 405.1370400113101
Energy: 403.2616577991884
Energy: 401.2733329529324
Energy: 404.14804535653644
Energy: 404.95575762433305
Energy: 401.61475329754086
Energy: 399.52805389947287
Energy: 403.22757592655313
Energy: 402.2716049452784
Energy: 399.4932838613992
Energy: 401.7551886443076
Energy: 400.069403112742
Energy: 405.6634461906752
Energy: 403.6470730530659
Energy: 401.5692150663763
Energy: 404.504801788815
Energy: 402.11525407785837
Energy: 403.83328534184096
Energy: 398.2866035286648
Energy: 404.6849735914572
Energy: 402.7334352632327
Energy: 397.85015673356247
Energy: 405.36174108674027
Energy: 405.0368085807587
Energy: 397.5098197640948
Energy: 405.7287363323796
Energy: 405.5119133020279
Energy: 398.09431551945846
Energy: 402.85821096948536
Energy: 405.794802785428
Energy: 405.1316444295114
Energy: 400.12199790898586
Energy: 401.61029038785733
Energy: 405.32059094961994
Energy: 402.024926736024
Energy: 405.04577192881294
Energy: 404.6739100154417
Energy: 399.6302864622012
Energy: 399.59448175705927
Energy: 403.0369414948269
Energy: 402.8401747625614
Energy: 402.5203480096201
Energy: 404.61356802325173
Energy: 402.3263810578391
Energy: 403.1028590366995
Energy: 404.6520603625226
Energy: 404.874454427174
Energy: 404.372415193469
Energy: 403.78451459071056
Energy: 402.10006397178853
Energy: 403.74528705202783
Energy: 400.8412584797581
Energy: 404.5225154722883
Energy: 402.3503932315129
Energy: 405.46538949277465
Energy: 404.54008818675527
Energy: 404.58547689379924
Energy: 404.5074751138113
Energy: 404.0945089133954
Energy: 402.99000462823614
Energy: 395.4167679035222
Energy: 404.03094641941055
Energy: 402.4941892833543
Energy: 396.08867811263707
Energy: 402.98959919167356
Energy: 402.9342274316676

minimum gb energy = 394.7841911720829 eV
minimum distance =  2.29058395834548 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 563.9528250584384
Energy: 578.7784417787556
Energy: 569.5816419331802
Energy: 565.1003579931338
Energy: 579.129400387762
Energy: 571.7018229813852
Energy: 576.565931988922
Energy: 575.7459848155472
Energy: 573.8059204154628
Energy: 573.9026826354634
Energy: 571.0098874040827
Energy: 571.4793264255624
Energy: 575.59392538046
Energy: 572.0479417492946
Energy: 571.7493002447063
Energy: 574.717941654431
Energy: 571.3490059955917
Energy: 571.9797821347925
Energy: 574.5695328973983
Energy: 575.2820407668539
Energy: 571.8563030596868
Energy: 571.3181367528857
Energy: 571.7914741896327
Energy: 571.569683348363
Energy: 573.7525417646743
Energy: 566.784070248783
Energy: 572.7901964093936
Energy: 571.4038685709721
Energy: 566.8111693359214
Energy: 576.1221769417837
Energy: 574.1879105351948
Energy: 567.0430513596846
Energy: 566.9284825959119
Energy: 572.8073894623047
Energy: 566.8226331724771
Energy: 566.9487585288293
Energy: 574.6549677511855
Energy: 572.6040913581608
Energy: 575.3107812806417
Energy: 575.185364333029
Energy: 573.1912262714699
Energy: 573.4950427136744
Energy: 568.5013027811444
Energy: 574.1743920852516
Energy: 569.5459114386638
Energy: 569.6822819170496
Energy: 572.9370578814331
Energy: 569.6618096046307
Energy: 575.7230317300432
Energy: 573.4267087862236
Energy: 573.3123478726822
Energy: 573.6698401426031
Energy: 574.592471329087
Energy: 573.050595935432
Energy: 576.6330379308926
Energy: 575.5081374852352
Energy: 576.422142452606
Energy: 576.5713188692415
Energy: 575.5504406941639
Energy: 574.6162123836154
Energy: 577.268044908507
Energy: 576.1091083883279
Energy: 572.2023084860303
Energy: 572.2572755670312
Energy: 576.2087302391097
Energy: 575.3055761278847
Energy: 575.2832827276304
Energy: 568.7854612886563
Energy: 571.1198234143714
Energy: 574.1476009557393
Energy: 570.9427039279552
Energy: 570.7166508828792
Energy: 576.76153155932
Energy: 572.3132855672218
Energy: 570.3308210418628
Energy: 571.4379916066309
Energy: 569.9834940439571
Energy: 571.0799537781186
Energy: 570.8588775685205
Energy: 575.1065256321156
Energy: 571.7420595832356
Energy: 573.6709525235211
Energy: 575.2118470786849
Energy: 573.658949717469
Energy: 568.7852300054407
Energy: 571.9833703179181
Energy: 571.9631186650557
Energy: 573.8862067960974
Energy: 575.1443179755084
Energy: 572.7044674844507
Energy: 573.4538267984593
Energy: 571.5850179395626
Energy: 575.2116321084749
Energy: 575.3401830711986
Energy: 574.7020410473743
Energy: 574.8965068001617
Energy: 567.9622169550536
Energy: 573.7337421512716
Energy: 566.8740476592583
Energy: 566.9989519869242
Energy: 574.9533321437289
Energy: 567.0362965323957
Energy: 566.8124657802446
Energy: 577.2357020319533
Energy: 575.1877623170686
Energy: 566.6747310815273
Energy: 571.5275867069984
Energy: 571.324260834385
Energy: 576.0978774345969
Energy: 569.5402027361753
Energy: 570.5319351765888
Energy: 571.5225125390778
Energy: 569.1636682398839
Energy: 572.2632891721323
Energy: 570.8171148731974
Energy: 570.0508747402662
Energy: 569.5166738497503
Energy: 575.7163541704512
Energy: 569.5617699591463
Energy: 572.2968012745407
Energy: 576.0212317105639
Energy: 572.5297641476212
Energy: 574.7221926239964
Energy: 574.7425114240333
Energy: 574.6627621710428
Energy: 575.9576207630263
Energy: 576.918334426978
Energy: 574.6100331271098
Energy: 576.1530569007888
Energy: 574.4190792731029
Energy: 572.7102184273219
Energy: 575.8574972072485
Energy: 576.5868469671163
Energy: 571.2134583218993
Energy: 575.4882266780958
Energy: 575.0200106986073
Energy: 570.887040046572
Energy: 574.626842735237
Energy: 564.3477592006267
Energy: 575.1958638345404
Energy: 572.8911734273264
Energy: 572.9030463896953
Energy: 576.8695140037723
Energy: 573.3201147709789
Energy: 571.7842133245377
Energy: 575.2191575423316
Energy: 574.9355258990151
Energy: 568.5800354945096
Energy: 571.8481344552072
Energy: 573.3027962408967
Energy: 576.3225401370954
Energy: 575.1727937863876
Energy: 573.4973867977967
Energy: 574.6418804618047
Energy: 574.3468493730012
Energy: 571.6576082490924
Energy: 574.0194118442254
Energy: 574.7795728091941
Energy: 571.5750593187615
Energy: 573.7107167235862
Energy: 574.6983234800323
Energy: 573.0171052527984
Energy: 573.5029466364506
Energy: 575.339184294075
Energy: 577.0573916199864
Energy: 573.8535455779493
Energy: 566.6998252973772
Energy: 571.7175850995895
Energy: 575.9147819176414
Energy: 566.8061495847182
Energy: 566.8022956838195
Energy: 577.635416857825
Energy: 567.0426213984383
Energy: 566.6956110022381
Energy: 571.1583472382001
Energy: 572.0013229169173
Energy: 573.8138369383493
Energy: 574.2138658775921
Energy: 576.0533011790873
Energy: 574.8753067657726
Energy: 568.3787815973728
Energy: 576.04755377347
Energy: 569.5820176778266
Energy: 569.6328353831757
Energy: 574.7515975137483
Energy: 569.5881530225382
Energy: 577.7878466900082
Energy: 575.9293331387607
Energy: 575.2865281415541
Energy: 575.1550621095746
Energy: 571.582079940719
Energy: 572.1419569407301
Energy: 577.3975972980982
Energy: 571.1245927586727
Energy: 575.4591975421934
Energy: 574.4020294187019
Energy: 571.1527717741046
Energy: 571.2770347876332
Energy: 577.2303970341111
Energy: 573.2040414672393
Energy: 572.810507509428
Energy: 572.5689336063814
Energy: 575.8713545367626
Energy: 574.9944382247492
Energy: 576.5012545947257
Energy: 571.4970281263157
Energy: 568.9574454027937
Energy: 576.1388181000316
Energy: 570.4256694314594
Energy: 575.7315005751715
Energy: 573.1909688335514
Energy: 569.5730532697116
Energy: 568.8298110574772
Energy: 576.6684404172523
Energy: 571.5111840389222
Energy: 568.8641785601634
Energy: 572.5237762182859
Energy: 573.1776618095205
Energy: 574.2143458692623
Energy: 571.1765181444223
Energy: 573.8506900539205
Energy: 574.2701385893461
Energy: 568.8100262750701
Energy: 575.2607213735633
Energy: 571.9693485216235
Energy: 568.9848553170019
Energy: 573.3587247664301
Energy: 575.3964875279444
Energy: 574.8646471933064
Energy: 572.5043990864584
Energy: 574.9845819348762
Energy: 575.2104568232139
Energy: 574.5043880013892
Energy: 571.6486397352
Energy: 566.2611024478638
Energy: 575.2983237608632
Energy: 575.0060274904076
Energy: 566.8492483820353
Energy: 575.5658188042011
Energy: 567.054143688738
Energy: 566.0075362315846
Energy: 571.179302633107
Energy: 574.7489192864585
Energy: 566.4822664705822
Energy: 575.0598928726681
Energy: 575.3398986580468
Energy: 576.1059415098571
Energy: 569.3932589632385
Energy: 570.0633568103117
Energy: 575.7441563482095
Energy: 570.4737553266905
Energy: 573.1887588074306
Energy: 570.8417454770591
Energy: 569.490725355428
Energy: 569.4741272768449
Energy: 570.819465811591
Energy: 569.5142087120696
Energy: 569.422422361406
Energy: 570.7909601619168
Energy: 574.4181385570558
Energy: 575.2520588946462
Energy: 571.6702397606539
Energy: 571.8102436586107
Energy: 573.3247072289444
Energy: 570.4887818654905
Energy: 575.5096718557407
Energy: 576.5319164321361
Energy: 574.5586350352153
Energy: 575.4520515680443
Energy: 574.8403769905364
Energy: 572.3555694699965
Energy: 574.8535309400698
Energy: 574.9304673386994
Energy: 576.0293083383079
Energy: 575.6397399249904
Energy: 571.3035179694278
Energy: 573.8118584089597
Energy: 574.3019072181179
Energy: 568.7011417497339
Energy: 568.6920326111637
Energy: 575.6316793459021
Energy: 569.7465627855113

minimum gb energy = 563.9528250584384 eV
minimum distance =  2.29702172136603 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 425.26698463200665
Energy: 435.34946635858813
Energy: 426.54745987240506
Energy: 426.78689184062176
Energy: 436.31106965881247
Energy: 427.2780658286012
Energy: 436.5932976568771
Energy: 433.7131133323309
Energy: 436.17493213573215
Energy: 436.1803607170156
Energy: 436.63572413634574
Energy: 435.23128188568353
Energy: 434.0283130555871
Energy: 426.5048447629415
Energy: 432.27184337163555
Energy: 432.80455130904613
Energy: 425.8963903344449
Energy: 435.6413934489057
Energy: 436.49269483972637
Energy: 436.0679165820656
Energy: 432.9782858836712
Energy: 433.58221370244075
Energy: 434.5282824233111
Energy: 434.3454077211229
Energy: 439.040817659543
Energy: 435.48318854886503
Energy: 430.40788557886185
Energy: 430.14648212717805
Energy: 436.64833093091033
Energy: 430.3154441760535
Energy: 437.3787976141415
Energy: 422.70444834942435
Energy: 435.28232005681963
Energy: 430.41112840624544
Energy: 422.6299891371471
Energy: 435.4770214615417
Energy: 425.5199302566822
Energy: 434.8292583406339
Energy: 431.7889550442269
Energy: 425.5850870919968
Energy: 434.7998378855678
Energy: 430.2219722776186

minimum gb energy = 422.6299891371471 eV
minimum distance =  2.40861227341336 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 620.4782799309047
Energy: 630.6506741052474
Energy: 624.1192142249987
Energy: 622.4936472702484
Energy: 630.2780225312558
Energy: 624.3278984155571
Energy: 629.6243085009514
Energy: 628.5224075587312
Energy: 629.5786983757652
Energy: 627.5973484902096
Energy: 629.5033949010974
Energy: 627.7200508787497
Energy: 629.4555377725179
Energy: 627.3429425167274
Energy: 626.7266260237027
Energy: 627.7058298415161
Energy: 627.3254234664009
Energy: 627.9185948252923
Energy: 627.3208355603059
Energy: 627.8987901312693
Energy: 629.4710736742236
Energy: 629.3754160680476
Energy: 627.3119239653795
Energy: 628.1365352058167
Energy: 629.520954750233
Energy: 627.7043994425297
Energy: 629.3941574498629
Energy: 627.1968415940523
Energy: 628.9686563979773
Energy: 627.1724353130996
Energy: 630.2669213130667
Energy: 629.5770126232405
Energy: 627.8055034498924
Energy: 627.5198159960536
Energy: 629.5659069958296
Energy: 629.4834762823399
Energy: 629.8793510856775
Energy: 629.2280452415565
Energy: 628.8572333557934
Energy: 629.5119082718685
Energy: 628.3967004524662
Energy: 627.0251155934976
Energy: 622.0299044570542
Energy: 627.8768782755419
Energy: 625.7876584927384
Energy: 623.5076883533737
Energy: 631.6484350493714
Energy: 625.3529221369575
Energy: 629.9835230904289
Energy: 630.0398939496677
Energy: 629.4311917704629
Energy: 629.9210877030439
Energy: 629.4548402584596
Energy: 629.5245857333935
Energy: 630.3914342890145
Energy: 624.6951163364151
Energy: 624.1719973819877
Energy: 628.7515080837019
Energy: 624.2945763855471
Energy: 627.4888304494973
Energy: 627.3752052314658
Energy: 625.9490218005752
Energy: 627.3040177634985
Energy: 627.2354682073983
Energy: 625.8231139091184
Energy: 628.1738650575315
Energy: 626.3276470400009
Energy: 628.9149227247933
Energy: 627.6755400517159
Energy: 629.431246380606
Energy: 629.4168566137836
Energy: 627.4542221153117
Energy: 625.6286462687103
Energy: 629.3844183214421
Energy: 629.3740534566294
Energy: 627.2844270864399
Energy: 629.3730814976889
Energy: 627.5895583722616
Energy: 629.367746554491
Energy: 628.7005202600758
Energy: 626.6744596588097
Energy: 628.7980703526407
Energy: 628.9657119496886
Energy: 628.0351518313045
Energy: 624.2346046997158
Energy: 629.6614990990132
Energy: 629.6460810723103
Energy: 624.9082127257898
Energy: 627.7174756605434
Energy: 629.7057950523467
Energy: 627.1521248066339
Energy: 629.2128706079965
Energy: 627.2501046780009
Energy: 628.5836265569487
Energy: 629.5742516791489
Energy: 628.3311822076631
Energy: 627.2020251431956
Energy: 623.2581220883967
Energy: 623.1263318913107
Energy: 630.4870345728409
Energy: 623.0213709988578
Energy: 625.917304019809
Energy: 630.2658079414816
Energy: 624.6223292336946
Energy: 626.9633249700831
Energy: 627.4986221481706
Energy: 625.3221763338729
Energy: 630.6826744707474
Energy: 626.8869172766665
Energy: 627.5314211071976
Energy: 629.3659125694281
Energy: 627.6187858662909
Energy: 629.503755336479
Energy: 626.4706543060734
Energy: 623.0696440866278
Energy: 626.6231955198327
Energy: 629.1661484120204
Energy: 626.299419554738
Energy: 628.5010502512705
Energy: 626.1830240497001
Energy: 629.4048389242358
Energy: 627.3773957578483
Energy: 627.4530316117189
Energy: 627.5508873050696
Energy: 626.7598163333851
Energy: 627.3609918203035
Energy: 626.6872431106881
Energy: 627.6294985652869
Energy: 627.6301096079211
Energy: 627.5684387890217
Energy: 627.6701169277414
Energy: 627.7200988192018
Energy: 629.8549339850184
Energy: 628.0133315360916
Energy: 628.7814013503797
Energy: 628.5103866374624
Energy: 628.9426797063762
Energy: 627.6279664401188
Energy: 627.9335663551785
Energy: 625.5207621050937
Energy: 625.710709488822
Energy: 626.9433191783361
Energy: 625.582447308814
Energy: 629.9020982156887
Energy: 629.9134760812286
Energy: 627.1810735673345
Energy: 629.3783130715597
Energy: 629.3580345308246
Energy: 626.9364403645715
Energy: 627.6505015001003
Energy: 620.948480527133
Energy: 628.5804467635035
Energy: 627.278494599554
Energy: 623.7811855193007
Energy: 626.8200087138845
Energy: 623.929778031797
Energy: 622.9006288706184
Energy: 628.3171994110108
Energy: 625.8610069746225
Energy: 623.7411875510653
Energy: 628.4272796976794
Energy: 623.7893812089553
Energy: 626.1904225476085
Energy: 627.1032292832012
Energy: 627.0084727803765
Energy: 629.4328090404091
Energy: 627.4989219460409
Energy: 628.5884136648875
Energy: 629.0094231518816
Energy: 626.7094675291248
Energy: 627.2670345302217
Energy: 627.306081477137
Energy: 626.8073980881416
Energy: 627.7276907718099
Energy: 630.1171418620754
Energy: 628.4701975145541
Energy: 629.3744153139763
Energy: 628.6287391463133
Energy: 628.2038426750307
Energy: 626.8985619746429
Energy: 626.8691192081143
Energy: 629.5909286352062
Energy: 627.7030792853079
Energy: 627.1750353219635
Energy: 627.813221678519
Energy: 627.7223803520042
Energy: 629.2077133911276
Energy: 629.3280248433116
Energy: 629.2309929312764
Energy: 628.3296323818109
Energy: 627.5457628656933
Energy: 627.4754675665981
Energy: 622.1148549535037
Energy: 626.7632267737221
Energy: 628.5834301561564
Energy: 623.1876460063446
Energy: 628.4416816861543
Energy: 624.9432010670658
Energy: 625.205293280515
Energy: 628.7004110104837
Energy: 628.4926376390224
Energy: 625.4399393647458
Energy: 627.1684451196235
Energy: 629.2844874435041
Energy: 628.4748720658097
Energy: 626.0219648468425
Energy: 625.8455803668618
Energy: 628.9493022316556
Energy: 627.2598985941513
Energy: 628.861812815717
Energy: 630.9763277169025
Energy: 624.6521764339418
Energy: 624.1105996304883
Energy: 628.5953833862661
Energy: 624.3805142984918
Energy: 626.5202496865738
Energy: 626.2026318899501
Energy: 628.3058562397347
Energy: 628.8489014141418
Energy: 627.1665233606773
Energy: 628.4443874444427
Energy: 627.5210030762383
Energy: 625.9953750751815
Energy: 627.6150962823014
Energy: 627.6528853231955
Energy: 626.7665692958228
Energy: 627.5760755233733
Energy: 627.7086484354045
Energy: 628.1105658285177
Energy: 628.3639458032798
Energy: 629.1743519453813
Energy: 628.2589730980791
Energy: 626.2557158988243
Energy: 628.981693115494
Energy: 624.7595650263532
Energy: 627.3857900131546
Energy: 629.3214487646437
Energy: 625.6488374809236
Energy: 628.9157534229282
Energy: 629.6695908019054
Energy: 629.7588979515065
Energy: 627.4769741409057
Energy: 629.1773463121593
Energy: 627.4316982692808
Energy: 627.132416036515
Energy: 629.0531341435423
Energy: 630.9665981554859
Energy: 625.2899675583928
Energy: 625.0185214231333
Energy: 629.2576302783816
Energy: 622.6822441909062
Energy: 627.2858042447047
Energy: 626.346197981963
Energy: 622.8182582018366
Energy: 623.1529869673739
Energy: 627.1603384512622
Energy: 622.7377563149164
Energy: 624.7843752767058
Energy: 629.9608961867876
Energy: 629.6080707152025
Energy: 628.7347843227678
Energy: 629.7829003450228
Energy: 628.2552695348558
Energy: 627.8030081196858
Energy: 623.4670608386645
Energy: 627.2761562910298
Energy: 627.4380394906508
Energy: 624.9028720194963
Energy: 627.9200054362249
Energy: 627.47493947404
Energy: 627.9597956093163
Energy: 626.6517146755039
Energy: 626.6759980003937
Energy: 628.9743722235244
Energy: 629.1527418622802
Energy: 627.283312282677
Energy: 630.0602257002049
Energy: 627.7480886340584
Energy: 627.6091195344425
Energy: 627.3465646726866
Energy: 628.527462586218
Energy: 627.6471316848181
Energy: 626.0753798918811
Energy: 629.2329733379736
Energy: 627.2913682744351
Energy: 628.6503829055345
Energy: 629.3410873217827
Energy: 629.2787011865486
Energy: 630.172931511219
Energy: 624.833824695373
Energy: 628.3052281327676
Energy: 628.5190940864537
Energy: 625.392303787483
Energy: 628.4826842486993
Energy: 629.2823712675979
Energy: 625.3387659255227
Energy: 625.2591360048748
Energy: 627.0825907891889
Energy: 625.6034035209815
Energy: 629.0322893113156
Energy: 626.8709113330249
Energy: 627.6473635723847
Energy: 628.675969910548
Energy: 625.8211502731713
Energy: 629.611638326282
Energy: 629.425992460044

minimum gb energy = 620.4782799309047 eV
minimum distance =  2.33178141782798 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 458.3598590258819
Energy: 462.7946415564161
Energy: 457.12541445284046
Energy: 457.45905607528834
Energy: 462.8098741070997
Energy: 456.8078819569537
Energy: 460.6403608234045
Energy: 460.8863571573713
Energy: 458.8542035072084
Energy: 461.18836126561405
Energy: 458.4550525099943
Energy: 462.06078685222263
Energy: 459.8130006749598
Energy: 456.679271075361
Energy: 456.4511485097154
Energy: 460.75553638950487
Energy: 456.3499875426233
Energy: 460.8306829803637
Energy: 462.56255297202534
Energy: 456.43984185028086
Energy: 460.997014915891
Energy: 461.2331455099276
Energy: 456.3201182078749
Energy: 461.3785803714115
Energy: 461.6961113961349
Energy: 460.2381958659299
Energy: 462.40247521655544
Energy: 460.5920284054573
Energy: 462.47867077886434
Energy: 461.080626601
Energy: 460.78813961094613
Energy: 461.08818052517734
Energy: 462.4321209316727
Energy: 458.99998152347774
Energy: 461.5478422132893
Energy: 458.8599252608896
Energy: 458.444026368615
Energy: 461.4771236683841
Energy: 461.98079523114905
Energy: 463.02053991162177
Energy: 461.7875735180275
Energy: 463.27355571778577
Energy: 452.20099128895885
Energy: 461.4399310996417
Energy: 464.7262263716547
Energy: 453.156309056844
Energy: 463.32556811785923
Energy: 453.48983840981117
Energy: 461.01203117702715
Energy: 461.3634201858493
Energy: 460.2843008412638
Energy: 461.3346835527021
Energy: 458.49985207895526
Energy: 459.2012420848858
Energy: 463.98847082386635
Energy: 457.0029223142235
Energy: 457.2813430431245
Energy: 462.61939012689686
Energy: 456.6285375630537
Energy: 457.6605007300395
Energy: 462.0894684637169
Energy: 457.47615457132025
Energy: 457.11019514780975
Energy: 461.6776490029489
Energy: 458.0212735258965
Energy: 462.02000009209524
Energy: 456.79363774739653
Energy: 460.71022620581016
Energy: 462.4228310131424
Energy: 456.18503535413606
Energy: 462.4902336129207
Energy: 458.7674976697639
Energy: 455.2964369018972
Energy: 460.9918181955971
Energy: 461.2492582578417
Energy: 456.3586914080946
Energy: 459.55597582813516
Energy: 456.5304135696093
Energy: 461.9047418850785
Energy: 460.01263761465816
Energy: 462.4686521876211
Energy: 462.49291736525964
Energy: 458.77879627819
Energy: 460.53914633451376
Energy: 462.6806273700537
Energy: 462.49491650811893
Energy: 459.1128675109807
Energy: 462.68389036273527
Energy: 458.9562166648345
Energy: 459.1081441812521
Energy: 459.88716955527684
Energy: 462.25576090949045
Energy: 462.29512372071827
Energy: 458.0584666263295
Energy: 461.8989470463479
Energy: 459.24932171997636
Energy: 460.4574806428879
Energy: 453.53960273157253
Energy: 453.3915559883143
Energy: 464.15319365427433
Energy: 453.12710416712326
Energy: 453.622629477199
Energy: 460.66773399203294
Energy: 461.9989519506994
Energy: 462.4120875982149
Energy: 462.7130597415059
Energy: 459.4380977608102
Energy: 462.11687530112226
Energy: 458.97693450785573
Energy: 461.0000652529412
Energy: 457.6576942498706
Energy: 456.7681042693738
Energy: 460.04558619792937
Energy: 457.3709695188547
Energy: 455.71417478074557
Energy: 462.52118533343895
Energy: 457.15176962482764
Energy: 456.99784112588117
Energy: 458.21107923037073
Energy: 457.61477385828016
Energy: 459.26520538300815
Energy: 459.30481065963124
Energy: 460.2443364636423
Energy: 460.6138475988597
Energy: 458.09256161604833
Energy: 462.32571726523116
Energy: 462.13548139839247
Energy: 456.3892035554481
Energy: 456.5078386864006
Energy: 460.6160261462678
Energy: 456.6301074911809
Energy: 456.40362074368676
Energy: 463.1621124694466
Energy: 459.00220591041415
Energy: 458.4811829512343
Energy: 462.6208361462094
Energy: 460.6687777481688
Energy: 458.1424401547102
Energy: 462.23815715932085
Energy: 460.76874261964934
Energy: 459.0850871501138
Energy: 461.0760108644187
Energy: 461.386827688856
Energy: 460.9982934384895
Energy: 462.87509421852343
Energy: 460.05890208326997
Energy: 459.63442305323804
Energy: 458.3138937655453
Energy: 460.196869502789
Energy: 457.9736550878478
Energy: 452.3021008064648
Energy: 461.9425268131698
Energy: 459.65253333667795
Energy: 453.25101749360886
Energy: 464.974826169263
Energy: 461.3368943524419
Energy: 452.1564191018696
Energy: 460.8807528712334
Energy: 462.06970276862256
Energy: 453.12088141290707
Energy: 462.149176435396
Energy: 462.1353444894325
Energy: 461.48461102870186
Energy: 457.77480478360025
Energy: 461.04171353426676
Energy: 460.4476046058025
Energy: 457.47237889967136
Energy: 460.85214164728853
Energy: 462.7477993457918
Energy: 457.17898428243075
Energy: 457.14916810721496
Energy: 462.4351019875718
Energy: 457.0793231012328
Energy: 457.7355314017823
Energy: 460.09885322343445
Energy: 460.24646423211414
Energy: 461.7870830083863
Energy: 457.91627791361435
Energy: 460.56058217256896
Energy: 459.7642463933193
Energy: 455.40296103713854
Energy: 459.20536412612256
Energy: 461.53033940649397
Energy: 456.4648190091505
Energy: 459.12784304877766
Energy: 456.2833246484696
Energy: 462.75186485429447
Energy: 462.5234724834705
Energy: 462.3691416914879
Energy: 462.012343838263
Energy: 461.57079127278547
Energy: 458.4360320743789
Energy: 462.89105595669395
Energy: 461.38524511355763
Energy: 458.66179307551863
Energy: 458.69323382609997
Energy: 458.4130678911272
Energy: 459.6763919333715
Energy: 462.3318645684966
Energy: 461.88296309320555
Energy: 460.1247504181889
Energy: 460.76482518529417
Energy: 460.9671106418059
Energy: 462.3402143516217
Energy: 463.4587812376399
Energy: 462.29802772871716
Energy: 462.231985082943
Energy: 461.43991741215126
Energy: 453.283530003156
Energy: 459.83358169174164
Energy: 463.2721063556712
Energy: 453.16025679116024
Energy: 453.3121243233074
Energy: 462.21024157086316
Energy: 453.1069344949308
Energy: 461.2359514434612
Energy: 463.5363485560124
Energy: 460.82379539309204
Energy: 462.2614181636136
Energy: 463.15059746401477
Energy: 461.89397651356114
Energy: 462.30352035436766
Energy: 458.9084149571902
Energy: 462.42064401273234
Energy: 457.4344318993365
Energy: 458.43663982946975
Energy: 462.02680755076256
Energy: 456.66756006851244

minimum gb energy = 452.1564191018696 eV
minimum distance =  2.38087906986668 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 367.75521257530716
Energy: 374.58660025168706
Energy: 370.1525596771858
Energy: 369.17606945069633
Energy: 375.9471687469196
Energy: 368.4602039631336
Energy: 375.52123291230305
Energy: 373.6992490468199
Energy: 374.08565668955396
Energy: 372.93292360882884
Energy: 373.4298048732993
Energy: 373.9861593260804
Energy: 372.2957977680984
Energy: 372.01901034337106
Energy: 372.1200930060155
Energy: 374.67263853799284
Energy: 372.6246728839202
Energy: 373.99685270308146
Energy: 375.0421846191617
Energy: 372.76429418441876
Energy: 374.89583296586886
Energy: 371.8763823637105
Energy: 371.75616800041576
Energy: 374.89726177620685
Energy: 374.17911517229606
Energy: 373.41126269929504
Energy: 374.6277571363066
Energy: 373.52879144167633
Energy: 373.13713174480745
Energy: 373.7530228676378
Energy: 374.91226637585896
Energy: 373.80137634513267
Energy: 373.6806069068276
Energy: 374.33195372079996
Energy: 372.8452379345681
Energy: 373.63351661466055
Energy: 375.1059725600799
Energy: 372.2961622701377
Energy: 373.08708915968265
Energy: 374.51676838768213
Energy: 374.52151632695706
Energy: 372.71265196308116
Energy: 371.98552937837866
Energy: 374.97195975878594
Energy: 373.481840458271
Energy: 371.6227179752389
Energy: 373.8947683784288
Energy: 374.149773717362
Energy: 374.8938382646981
Energy: 374.0692829259871
Energy: 373.3119361700219
Energy: 375.28076144986187
Energy: 375.1416516358943
Energy: 374.23481686844895
Energy: 376.235415294635
Energy: 369.2816512906718
Energy: 369.279018071251
Energy: 374.03374496184966
Energy: 369.35402442491187
Energy: 369.12282610167944
Energy: 375.5969768417186
Energy: 371.10601457611847
Energy: 371.2351845031503
Energy: 377.2368905141883
Energy: 369.34010955842035
Energy: 375.18960049664554
Energy: 369.20650100583384
Energy: 372.83910656382335
Energy: 373.7553561345261
Energy: 372.9233335169944
Energy: 374.6748226773698
Energy: 375.0841497612555
Energy: 370.0798209218803
Energy: 374.85380831925283
Energy: 372.34051236977757
Energy: 369.9956886486071
Energy: 372.5969584438388
Energy: 373.09666227166383
Energy: 372.13079206185677
Energy: 374.9025435305356
Energy: 373.8261603120287
Energy: 372.64324306328723
Energy: 374.40759761398
Energy: 373.1410579409259
Energy: 375.0240699266183
Energy: 373.31162284484805
Energy: 374.6020473216674
Energy: 374.19977124790574
Energy: 372.4309416156727
Energy: 374.59940547782224
Energy: 374.34184603504065
Energy: 374.1489175975883
Energy: 372.29781660521166
Energy: 374.60579729004917
Energy: 374.34556617234176
Energy: 374.62087212876037
Energy: 374.8426838103436
Energy: 374.6037947088134
Energy: 374.72520143344286
Energy: 372.9292320147586
Energy: 371.7568698203015
Energy: 374.60599415943074
Energy: 375.5564446955982
Energy: 374.27467398214833
Energy: 374.6021518924744
Energy: 374.5199692387459
Energy: 374.8341447844331
Energy: 374.67709393571755
Energy: 368.9065374233718
Energy: 375.14786436475737
Energy: 374.52643722381816
Energy: 369.0443585398896
Energy: 374.02483404929876
Energy: 371.3585053857471
Energy: 368.8424558449218
Energy: 373.81919761057014
Energy: 374.9858229832393
Energy: 369.42389455872535
Energy: 374.2734209784629
Energy: 371.2549025118736
Energy: 375.65539953999524
Energy: 374.7850486258727
Energy: 373.4258477171831
Energy: 374.60474572588276
Energy: 372.8783861469958
Energy: 373.1712855428916
Energy: 375.3676630567058
Energy: 370.4323484275189
Energy: 370.5742299050292
Energy: 376.20932394771665
Energy: 368.8404191077483
Energy: 370.6887700722809
Energy: 374.7347027166261
Energy: 372.75723715559644
Energy: 373.601048228563
Energy: 374.3635939762822
Energy: 373.0034436838813
Energy: 374.08354432205437
Energy: 372.5460428163769
Energy: 374.5195712858172
Energy: 374.6376656809444
Energy: 373.14027831461493
Energy: 374.23170010372434
Energy: 373.62528947049015
Energy: 375.3613576267904
Energy: 374.3447258259344
Energy: 372.843625333714
Energy: 374.31941135668654
Energy: 374.5987262643853
Energy: 374.3873075458826
Energy: 375.5264500485903
Energy: 374.50778453414506
Energy: 374.2249036831913
Energy: 374.32511191803866
Energy: 373.46598019895447
Energy: 374.1701263425158
Energy: 375.15008921840484
Energy: 374.151478429941
Energy: 374.22265167362207
Energy: 373.7676928957877
Energy: 374.20283076046627
Energy: 374.698572533261
Energy: 375.0375587456552
Energy: 374.6683378157265
Energy: 374.5988543197648
Energy: 374.44190453599157
Energy: 373.5092334455256
Energy: 374.58044331810606
Energy: 375.80590245948673
Energy: 371.33689162422235
Energy: 371.5445248921032
Energy: 374.43802048371856
Energy: 369.72193316878315
Energy: 371.6537257293389
Energy: 374.70280658139643
Energy: 374.9653375852373
Energy: 372.50782243027896
Energy: 374.8903225967328
Energy: 374.23468503254855
Energy: 375.0226983177599
Energy: 367.6092190082637
Energy: 376.2442809585638
Energy: 370.21929384887505
Energy: 368.60226455445337
Energy: 376.2950679444989
Energy: 369.98521128539664

minimum gb energy = 367.6092190082637 eV
minimum distance =  2.35627694561324 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 425.5353205654218
Energy: 438.95741577976725
Energy: 431.46581576583793
Energy: 426.8003403620187
Energy: 437.2499713450626
Energy: 432.06541586628657
Energy: 431.5482472732989
Energy: 435.2366341741296
Energy: 436.3378303230718
Energy: 436.49419842128185
Energy: 436.7560991220408
Energy: 434.30757750787325
Energy: 432.20261144176794
Energy: 431.589732882925
Energy: 431.57261967802
Energy: 433.9573082052162
Energy: 431.32837082768015
Energy: 431.4130928546182
Energy: 435.68947422036274
Energy: 430.7840062102004
Energy: 431.5194107582365
Energy: 436.39539655445714
Energy: 431.0170077358405
Energy: 435.133285962244
Energy: 435.0974466568055
Energy: 436.5373726451287
Energy: 435.74224337928206
Energy: 435.3399248529994
Energy: 433.1402472934149
Energy: 434.6505799729263
Energy: 431.88804281635856
Energy: 433.48119328502975
Energy: 434.6720302862108
Energy: 435.4652195017041
Energy: 434.5540172004605
Energy: 436.55649536634394
Energy: 437.0291346617854
Energy: 434.28840853004397
Energy: 433.8112346247975
Energy: 434.4782198564726
Energy: 436.0040746155502
Energy: 432.6250009360788
Energy: 427.98561463413216
Energy: 436.8833237510593
Energy: 435.0890470155633
Energy: 429.2727774179764
Energy: 436.33597497084065
Energy: 433.91243546585133
Energy: 437.3021925956301
Energy: 432.62875535602734
Energy: 433.0589855844711
Energy: 438.57607711721045
Energy: 436.9093754683787
Energy: 435.8795138138825
Energy: 436.84891781118574
Energy: 428.57578912697113
Energy: 428.66619692954026
Energy: 437.3996379245061
Energy: 428.673933524976
Energy: 428.71778233329366
Energy: 436.60221217722795
Energy: 428.4095935801145
Energy: 436.3508186309726
Energy: 438.0137855024985
Energy: 428.273118660626
Energy: 436.952750168748
Energy: 429.693936513668
Energy: 433.33046881127945
Energy: 435.0839796222409
Energy: 431.08676987025274
Energy: 433.0815925054507
Energy: 431.5301855473364
Energy: 433.1702111237909
Energy: 433.5579507520782
Energy: 431.6432764730663
Energy: 430.91576657819655
Energy: 435.36279668885453
Energy: 431.63201605453054
Energy: 436.85231364031944
Energy: 434.5597794692696
Energy: 435.181631435341
Energy: 432.8841635113264
Energy: 433.3529592309857
Energy: 436.48392453552793
Energy: 436.43870812436757
Energy: 431.2019019501528
Energy: 431.3239340904217
Energy: 436.5410947495269
Energy: 431.54643715957246
Energy: 431.4447190398573
Energy: 437.24751058014306
Energy: 436.0523976853307
Energy: 432.8745455592764
Energy: 436.9654003021748
Energy: 436.13035116605283
Energy: 434.60906759013744
Energy: 434.02669973423065
Energy: 433.0555364608475
Energy: 434.7332899691444
Energy: 436.64279308438756
Energy: 436.53888760838873
Energy: 433.3675395604737
Energy: 432.46174145551794
Energy: 433.52089456558207
Energy: 434.72303669498734
Energy: 435.88683653288325
Energy: 434.6828297911534
Energy: 434.3068258195478
Energy: 434.25933440596475
Energy: 434.49961690669585
Energy: 435.75420501378153
Energy: 436.59613525822857
Energy: 436.7761457502838
Energy: 433.6997707907473
Energy: 437.7156658107347
Energy: 433.13424044100907
Energy: 436.8613785984171
Energy: 436.90747850854183
Energy: 436.2690274145001
Energy: 435.73012373185907
Energy: 437.433352852981
Energy: 434.51029506035263
Energy: 436.5046761227513
Energy: 433.9708433279814
Energy: 436.577262459798
Energy: 435.8812791365612
Energy: 434.94620474448845
Energy: 428.61404403033254
Energy: 428.618081087073
Energy: 433.77768383263987
Energy: 428.7948438727888
Energy: 428.86202736065417
Energy: 434.90142012732474
Energy: 433.2617240889149
Energy: 432.63608907605095
Energy: 435.37456526648594
Energy: 436.3952499989161
Energy: 434.7823579720195
Energy: 433.37295143131263
Energy: 433.9552146756799
Energy: 431.69355385171633
Energy: 431.3916908460658
Energy: 435.2003471740611
Energy: 431.99708322041374

minimum gb energy = 425.5353205654218 eV
minimum distance =  2.40202277580392 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 402.35853002857465
Energy: 412.25076769511014
Energy: 406.95381861625026
Energy: 403.0626396344987
Energy: 411.94873737371375
Energy: 404.04747063631464
Energy: 410.9313733905019
Energy: 409.58144229935533
Energy: 407.7293040850267
Energy: 407.6765622208954
Energy: 408.64294307810695
Energy: 408.4300466261214
Energy: 409.7838429838439
Energy: 405.75619634570774
Energy: 406.9045149099055
Energy: 409.65653875494417
Energy: 406.72169671947523
Energy: 406.7412834477439
Energy: 409.88805574333173
Energy: 406.8059226770103
Energy: 407.04729912362575
Energy: 410.41510917419373
Energy: 406.453322345618
Energy: 410.6640014237661
Energy: 410.8111174147226
Energy: 410.42591355782747
Energy: 410.1262795742193
Energy: 407.9514503439563
Energy: 409.7917061394256
Energy: 408.6237603751946
Energy: 405.33224743671195
Energy: 409.715147342024
Energy: 410.50378810475996
Energy: 406.7754302606039
Energy: 409.02741176755694
Energy: 406.9871936956527
Energy: 406.7975491424275
Energy: 409.28969468763285
Energy: 408.7031921068509
Energy: 409.60218333562875
Energy: 407.053930384911
Energy: 410.2194680281715
Energy: 406.9661005358031
Energy: 408.55460029642603
Energy: 408.05415774213384
Energy: 410.3116439964578
Energy: 408.6140665093483
Energy: 408.5818655873252
Energy: 409.04450023297795
Energy: 409.78515422808175
Energy: 410.20988884174506
Energy: 410.27524416988507
Energy: 409.9977364345064
Energy: 408.7936205173594
Energy: 406.951145398791
Energy: 410.4644342804667
Energy: 409.08771140534816
Energy: 408.9832900885094
Energy: 408.13363093440876
Energy: 409.2653629243277
Energy: 409.5685073728102
Energy: 409.9493109682682
Energy: 409.8578749360682
Energy: 409.7562161426402
Energy: 410.1761349269896
Energy: 409.8337156689012
Energy: 404.4270461477403
Energy: 409.9359490332721
Energy: 408.8117345382451
Energy: 404.8772202535015
Energy: 410.4105893327001
Energy: 410.6524046251209
Energy: 403.7884800711014
Energy: 409.036627296961
Energy: 407.8903631038645
Energy: 404.4739545496959
Energy: 407.7614075309297
Energy: 410.6814449009594
Energy: 411.17169649026556
Energy: 410.45023121000247
Energy: 410.636896827065
Energy: 410.9117198820172
Energy: 409.204853259451
Energy: 407.9562790731225
Energy: 412.68165283455545
Energy: 405.3418390430484
Energy: 405.83358380892207
Energy: 409.32187083125774
Energy: 405.28258712540384
Energy: 405.4427582875112
Energy: 410.8877391803464
Energy: 409.63705761463257
Energy: 410.46924460344667
Energy: 408.39372070012826
Energy: 410.64528738587666
Energy: 411.2555590940732
Energy: 401.8806655874601
Energy: 410.6090854750349
Energy: 405.56007045544004
Energy: 403.02660338092676
Energy: 410.46117154744707
Energy: 406.41111005429815

minimum gb energy = 401.8806655874601 eV
minimum distance =  2.37354873588597 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 521.9381383199069
Energy: 527.988747073637
Energy: 524.1702121894143
Energy: 523.5777365079869
Energy: 530.7922026053554
Energy: 524.0067565217072
Energy: 530.8572193319426
Energy: 526.8934052316719
Energy: 528.0220119461533
Energy: 527.6047657509921
Energy: 526.7800460337328
Energy: 527.3960667304815
Energy: 529.4821748482022
Energy: 523.0087602137482
Energy: 526.7195314409754
Energy: 526.7957880642772
Energy: 522.9603984205386
Energy: 525.98996965176
Energy: 528.3081449634766
Energy: 525.9083603975118
Energy: 525.585513708657
Energy: 529.0352741624641
Energy: 525.6399782118531
Energy: 526.3316969934513
Energy: 530.0421729668806
Energy: 528.0953155465295
Energy: 528.0944642807237
Energy: 528.0058919103102
Energy: 527.6128927358432
Energy: 528.1787102198489
Energy: 526.9549822490166
Energy: 528.9698037605978
Energy: 525.7120571469801
Energy: 526.2927301589083
Energy: 527.1336835265583
Energy: 526.1968575289077
Energy: 530.094747347031
Energy: 528.9598565711281
Energy: 528.6622640711369
Energy: 528.800555659784
Energy: 527.8449308733649
Energy: 528.0879879499043
Energy: 527.5547111608456
Energy: 525.6235967658389
Energy: 527.1281081104029
Energy: 528.1122811000395
Energy: 525.6741403013401
Energy: 527.0080326816263
Energy: 529.2304095842359
Energy: 526.9355908270551
Energy: 526.7919517404748
Energy: 528.5607331482215
Energy: 528.269289829551
Energy: 526.2168350277301
Energy: 528.2744699302183
Energy: 528.628468089266
Energy: 528.6198740450986
Energy: 526.6798278057398
Energy: 528.5661798553301
Energy: 527.8862281543641
Energy: 529.1294039867128
Energy: 528.7487306566147
Energy: 528.673270225319
Energy: 526.9732195524255
Energy: 526.2521520856562
Energy: 527.9484538355848
Energy: 530.3453943763064
Energy: 526.1070411994829
Energy: 528.5956708385538
Energy: 528.809657827334
Energy: 526.092478425965
Energy: 528.7766736531595
Energy: 526.1475718589905
Energy: 526.857138832628
Energy: 528.2627738248354
Energy: 527.0647716308303
Energy: 527.2313236241689
Energy: 528.5869249568423
Energy: 527.2844587369731
Energy: 526.9695704904448
Energy: 528.7401567073518
Energy: 526.1702045773376
Energy: 527.3511073180331
Energy: 529.0305160044004
Energy: 526.7711224073039
Energy: 524.9364009793019
Energy: 524.7775358472719
Energy: 528.868182903754
Energy: 524.933301029103
Energy: 527.7319313441967
Energy: 527.1622746039296
Energy: 529.0389801365363
Energy: 528.3195830638741
Energy: 527.9264787380333
Energy: 529.0804421631673
Energy: 529.0783659719992
Energy: 524.5681377136306
Energy: 526.933388240909
Energy: 528.6148790154945
Energy: 524.6713744381639
Energy: 527.3804779191393
Energy: 524.1890282678711
Energy: 524.5559420165005
Energy: 528.8333667734958
Energy: 529.1500598282008
Energy: 523.9291625011238
Energy: 528.888306369806
Energy: 524.7063830943484
Energy: 530.1492482273834
Energy: 529.076763593684
Energy: 527.3891097516542
Energy: 527.948228170167
Energy: 524.3237681631888
Energy: 528.4625594603597
Energy: 529.1842856593552
Energy: 522.5497333672869
Energy: 522.1440700711075
Energy: 529.8152562272332
Energy: 522.35558049876
Energy: 524.6403035517825
Energy: 526.264861236657
Energy: 529.0554235836574
Energy: 528.8757105844707
Energy: 528.2812509715558
Energy: 529.3101485453333
Energy: 528.6455497058672
Energy: 522.6830442315133
Energy: 527.7301806879136
Energy: 526.1713258271178
Energy: 522.8242539123191
Energy: 527.8308635478667
Energy: 523.7874960143512
Energy: 522.0284701234114
Energy: 529.2788614834192
Energy: 529.2070982490009
Energy: 522.8832282445786
Energy: 527.2392338302559
Energy: 526.7697142983245
Energy: 527.1896402653531
Energy: 526.540834803531
Energy: 528.2949432189954
Energy: 528.5241450947556
Energy: 526.0711485957007
Energy: 529.2679446698287
Energy: 529.0137787348303
Energy: 522.9395567931688
Energy: 525.8276747420266
Energy: 528.9355064349049
Energy: 523.1044901266029
Energy: 526.4109189002316
Energy: 527.1444851169888
Energy: 528.0840340079558
Energy: 526.9550461493466
Energy: 528.8629402352926
Energy: 528.6328387369282
Energy: 526.70951014969
Energy: 525.7998856967183
Energy: 528.7974675716847
Energy: 527.6493621727261
Energy: 525.4555104950514
Energy: 528.9457158538097
Energy: 525.7642392976111
Energy: 527.2829367775028
Energy: 526.8228733303634
Energy: 528.3263238213435
Energy: 525.4697223660421
Energy: 527.8753412842615
Energy: 528.4582669374385
Energy: 529.6003618907212
Energy: 528.0704467159608
Energy: 526.8455206444847
Energy: 528.8224684096799
Energy: 528.8423905148594
Energy: 528.0471555129184
Energy: 528.8341438763056
Energy: 525.5795602098652
Energy: 528.6001187521289
Energy: 527.6773054277179
Energy: 525.7021853086546
Energy: 527.3252662500195
Energy: 527.5215710508918
Energy: 528.4513210701457
Energy: 528.4388399861012
Energy: 528.8274272796442
Energy: 528.5191930993136
Energy: 528.0088233255988
Energy: 529.5639293092765
Energy: 526.934144501785
Energy: 526.9985582131806
Energy: 527.0226933833794
Energy: 528.6352018449161
Energy: 527.3301908015444
Energy: 529.649192893438
Energy: 526.9241313821345
Energy: 526.4535697918715
Energy: 528.9707472775392
Energy: 527.7464075473096
Energy: 526.5786545544729
Energy: 529.380705672295
Energy: 528.6954839064495
Energy: 528.5560089553285
Energy: 527.5925476833931
Energy: 527.7235589974449
Energy: 528.0638778622199
Energy: 526.0892680109085
Energy: 527.7082563880709
Energy: 526.9445358037688
Energy: 528.9495714890968
Energy: 528.2043068696273
Energy: 528.7004874302677
Energy: 526.6123201158387
Energy: 524.3481230958702
Energy: 529.1119811515919
Energy: 527.1107630564579
Energy: 524.4554926461103
Energy: 526.7025769632673
Energy: 529.319237103515
Energy: 528.2821962161507
Energy: 528.9381069140017
Energy: 528.122052070765
Energy: 528.7259072340804
Energy: 528.5324473010766
Energy: 525.1916641733136
Energy: 528.9991888710937
Energy: 527.8484935005873
Energy: 527.6534661165745
Energy: 529.3359622329556
Energy: 527.9965035686099
Energy: 523.2375240542899
Energy: 528.4026189585893
Energy: 525.0756342234106
Energy: 524.7629020511464
Energy: 528.5558206600566
Energy: 524.6848919647641
Energy: 528.5811541019549
Energy: 528.1867694087564
Energy: 528.303203008021
Energy: 528.7331517653104
Energy: 526.7916846195664
Energy: 527.1419959955931
Energy: 528.9937607492844
Energy: 521.2399349784689
Energy: 524.3965837738383
Energy: 527.4766295001695
Energy: 521.9141661800641
Energy: 524.6953931863137
Energy: 530.9529104305346
Energy: 524.278930026403
Energy: 524.4862277799165
Energy: 527.7395283019549
Energy: 524.210243096527
Energy: 527.8606368825212
Energy: 522.0893944822448
Energy: 527.83188165458
Energy: 527.7562471769731
Energy: 522.8435754241227
Energy: 529.057357715284
Energy: 525.4346589543561

minimum gb energy = 521.2399349784689 eV
minimum distance =  2.33583178413103 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 640.0138959366885
Energy: 649.9490696824738
Energy: 644.059009217001
Energy: 641.5356583553356
Energy: 649.2822746952878
Energy: 642.1799843180502
Energy: 648.3150476045267
Energy: 646.4307562699742
Energy: 648.230263721945
Energy: 648.2895196493143
Energy: 646.3687410576966
Energy: 646.560093569292
Energy: 647.7526201360822
Energy: 643.2188072865742
Energy: 642.3577132945613
Energy: 647.9547625173841
Energy: 643.0885921054203
Energy: 645.0963743752266
Energy: 647.1670613404082
Energy: 642.8857962105191
Energy: 645.5168622349961
Energy: 647.729602482483
Energy: 643.4704955009835
Energy: 645.1498733306175
Energy: 646.000962592442
Energy: 647.4210483413584
Energy: 647.1963529299437
Energy: 645.1704013141973
Energy: 648.0166156029736
Energy: 646.5466370624787
Energy: 642.6172152755894
Energy: 647.6259697395041
Energy: 645.3984917866808
Energy: 644.0453598179907
Energy: 647.6424187343774
Energy: 645.4205262764355
Energy: 649.833901738223
Energy: 647.3727061919682
Energy: 645.4367336667842
Energy: 646.3601396712417
Energy: 646.6629494066578
Energy: 647.3229550156364
Energy: 646.585522925136
Energy: 645.3117295303487
Energy: 645.6702292761291
Energy: 646.4412253022884
Energy: 645.8700495009576
Energy: 647.1266211573138
Energy: 647.1185507697061
Energy: 646.2349823127037
Energy: 646.046842397436
Energy: 646.1485109251469
Energy: 645.2910852456793
Energy: 646.5854364981551
Energy: 645.5593659938281
Energy: 647.6483001100713
Energy: 647.9747528000084
Energy: 647.296095837189
Energy: 647.8652432430123
Energy: 646.3420826631572
Energy: 645.4618739221357
Energy: 647.8467223828338
Energy: 647.7739021061972
Energy: 645.6828256169523
Energy: 647.1197070310931
Energy: 647.8330042815272
Energy: 649.2441903747259
Energy: 645.6827527564966
Energy: 647.6081174573958
Energy: 647.1948552108411
Energy: 647.6682341326356
Energy: 645.8736096407366
Energy: 645.4180862725491
Energy: 646.3177854468411
Energy: 647.7378376258192
Energy: 646.3478562493366
Energy: 646.4024222253925
Energy: 647.81521710807
Energy: 648.9991743314303
Energy: 646.317329381906
Energy: 647.7987773862146
Energy: 645.3982273142404
Energy: 646.2542715236946
Energy: 645.8262378685523
Energy: 645.46747898913
Energy: 647.8075487947988
Energy: 647.880700993926
Energy: 645.569552717002
Energy: 646.4436084891327
Energy: 646.0311222748812
Energy: 648.6870673389221
Energy: 646.3963327922305
Energy: 646.3830633505262
Energy: 646.1876373393811
Energy: 645.6520508920287
Energy: 646.3933196076465
Energy: 643.1077060489562
Energy: 647.4969475128979
Energy: 646.1422269876045
Energy: 643.5717550998893
Energy: 645.3960598598505
Energy: 647.7329698551102
Energy: 649.3935201832542
Energy: 647.966788002177
Energy: 647.9337976533538
Energy: 645.7512501174998
Energy: 647.9695407881808
Energy: 646.3979280474863
Energy: 647.7963879878542
Energy: 647.3727086013763
Energy: 647.2067654930122
Energy: 647.4213591444967
Energy: 647.9583557819359
Energy: 647.9584023097918
Energy: 646.9001127947176
Energy: 644.4495973781271
Energy: 644.4661629133416
Energy: 648.1490958163341
Energy: 644.3492406262358
Energy: 648.1436314498989
Energy: 647.280522800077
Energy: 647.0308335084684
Energy: 647.4124710802155
Energy: 646.1869405666994
Energy: 648.4279787972829
Energy: 648.0840895052527
Energy: 641.4793788520496
Energy: 648.2738391735352
Energy: 643.8106121287551
Energy: 642.3606719896926
Energy: 646.9548538696374
Energy: 643.7957574766696
Energy: 645.646192948612
Energy: 646.3059078041185
Energy: 648.8448403607682
Energy: 644.5906083217296
Energy: 646.6086214372303
Energy: 648.291866661
Energy: 648.1744239990242
Energy: 644.2405275310658
Energy: 647.2579342753603
Energy: 647.2856528136082
Energy: 643.9834921320944
Energy: 646.6646146392964
Energy: 648.1458491150089
Energy: 642.2432610025483
Energy: 642.5813433734683
Energy: 646.7089150668062
Energy: 642.2840008000901
Energy: 644.6497277362563
Energy: 648.7106163637269
Energy: 647.3139530092095
Energy: 646.5692433476182
Energy: 646.2836249542258
Energy: 646.2106711575738
Energy: 648.2670972640265
Energy: 640.0245986389609
Energy: 648.2546731065202
Energy: 643.6096457703384
Energy: 640.7647198629995
Energy: 648.4911705793809
Energy: 643.4625352679136

minimum gb energy = 640.0138959366885 eV
minimum distance =  2.36276994575341 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 437.3981342021977
Energy: 446.3877513787771
Energy: 442.384006417673
Energy: 438.69193926801915
Energy: 444.55299158699637
Energy: 439.3236132672584
Energy: 448.3050684356979
Energy: 443.8209347591119
Energy: 443.7974786919436
Energy: 443.46801786316007
Energy: 445.79266106477263
Energy: 445.037296140931
Energy: 446.147424774669
Energy: 439.7003231261002
Energy: 441.50740011893606
Energy: 445.43812298539206
Energy: 439.87562846251603
Energy: 441.4107182076212
Energy: 446.83923014927166
Energy: 441.64982849628626
Energy: 441.45261178135127
Energy: 445.0115741641139
Energy: 439.7981847537339
Energy: 443.6815410281301
Energy: 445.7731939291207
Energy: 444.3985956098205
Energy: 445.3560532696446
Energy: 444.6461323426473
Energy: 443.86330109765646
Energy: 444.58485733456155
Energy: 439.91237174114184
Energy: 445.15536814898803
Energy: 443.32104510353065
Energy: 439.87084821036717
Energy: 445.1308904885781
Energy: 441.6320098932519
Energy: 447.30153622039614
Energy: 444.9910978004442
Energy: 443.5504583766996
Energy: 444.5992070623783
Energy: 445.1770364033229
Energy: 445.0076058146442
Energy: 445.36660492428746
Energy: 441.26908115265684
Energy: 443.15281513405665
Energy: 445.03896406678734
Energy: 441.56090454420513
Energy: 443.09813326881675
Energy: 446.39386377474693
Energy: 443.89452902542735
Energy: 443.44683322991557
Energy: 444.5561374974679
Energy: 442.49721004601054
Energy: 443.71265161062274
Energy: 443.36725039544814
Energy: 444.6401533296303
Energy: 444.41636166390606
Energy: 444.8892431429318
Energy: 444.6643540542201
Energy: 443.72696123400004
Energy: 440.8113260959386
Energy: 444.04808679149323
Energy: 445.02040106523253
Energy: 441.5165035876014
Energy: 445.06165448950355
Energy: 443.3786292883631
Energy: 445.3747159966057
Energy: 444.6602047441447
Energy: 443.48073076619727
Energy: 444.96505586535
Energy: 444.0507349604382
Energy: 443.7426957681324
Energy: 445.39041907382295
Energy: 443.0348175853394
Energy: 443.82986143642427
Energy: 444.4744949082515
Energy: 443.442963784236
Energy: 443.62619933193423
Energy: 445.3108933122577
Energy: 444.7360058765052
Energy: 444.56114212498676
Energy: 443.1910609887382
Energy: 444.5748333202798
Energy: 444.11563969323805
Energy: 445.31595118660056
Energy: 444.5499847362507
Energy: 443.57987702068965
Energy: 444.64175904066065
Energy: 444.63134418704345
Energy: 443.5176701233719
Energy: 443.8198143883548
Energy: 444.7312660998106
Energy: 444.65606053269187
Energy: 443.8236687503205
Energy: 445.0251364132182
Energy: 444.90902977590184
Energy: 445.5468837608169
Energy: 444.1975297647383
Energy: 444.9548833932875
Energy: 443.72542831319475
Energy: 443.4765165652856
Energy: 444.77668811489286
Energy: 443.2293286543293
Energy: 444.93262995792526
Energy: 444.61020370153
Energy: 444.14366134318357
Energy: 443.8421341222127
Energy: 443.55829976138705
Energy: 445.5023429992914
Energy: 443.84106994926356
Energy: 444.9489849847448
Energy: 442.8988587769795
Energy: 443.53207888211983
Energy: 443.9291207276102
Energy: 444.4540154955047
Energy: 444.9289743557285
Energy: 444.93950878225337
Energy: 444.04930939105117
Energy: 445.38559955675214
Energy: 445.0819194310081
Energy: 445.81388761525557
Energy: 444.5531362496711
Energy: 444.9461125043512
Energy: 444.7146262575583
Energy: 444.18161177833616
Energy: 444.87808711567294
Energy: 442.3681877615869
Energy: 445.0351109826736
Energy: 444.94361368534965
Energy: 444.37532628998304
Energy: 445.0378193850588
Energy: 445.6634173756578
Energy: 444.10461150408105
Energy: 443.44936711233817
Energy: 443.5959796003911
Energy: 444.940211465284
Energy: 443.8434051018014
Energy: 444.4947845014483
Energy: 446.08894642339845
Energy: 443.9065994569738
Energy: 444.42891413373417
Energy: 444.339286893153
Energy: 444.9258632271817
Energy: 444.8206089831518
Energy: 445.5309050988951
Energy: 442.2865462281169
Energy: 445.0296207604954
Energy: 444.86892423761753
Energy: 442.3326560234925
Energy: 444.88181910958684
Energy: 446.5722010882513
Energy: 443.2093414653907
Energy: 444.4658448851556
Energy: 444.96529764773004
Energy: 443.024786040934
Energy: 444.30541612316244
Energy: 439.9728482070487
Energy: 445.0898536029489
Energy: 445.138586476226
Energy: 440.7505650257932
Energy: 445.39549767971084
Energy: 442.57629187965495
Energy: 444.9719610842245
Energy: 444.6921674591043
Energy: 444.42798613345593
Energy: 445.49008879129497
Energy: 444.84242719703064
Energy: 444.6040511470889
Energy: 446.994572150048
Energy: 441.8802841940269
Energy: 445.2547828241692
Energy: 444.87418983220965
Energy: 441.8202049665896
Energy: 445.83101538411574
Energy: 445.33378176378324
Energy: 440.71797368778414
Energy: 442.52645084749247
Energy: 444.0732635891435
Energy: 440.48243456586687
Energy: 442.6190624974792
Energy: 446.09575252482074
Energy: 443.4620392327215
Energy: 443.86108216580624
Energy: 443.72142955517387
Energy: 444.5191337175225
Energy: 445.079233220678
Energy: 439.05204056909565
Energy: 445.2466927416996
Energy: 442.5204590300237
Energy: 439.02005577791454
Energy: 445.2021897951231
Energy: 441.1022626829641
Energy: 444.68603393575864
Energy: 445.5023515677475
Energy: 445.1936117055048
Energy: 442.2652135436874
Energy: 444.8826442958171
Energy: 443.8448319004002
Energy: 445.6064858311253
Energy: 440.15087755629753
Energy: 440.723066361496
Energy: 445.07016152686816
Energy: 439.09350899218856
Energy: 444.0503784137232
Energy: 444.48817793922325
Energy: 439.29349113833644
Energy: 441.0138481249798
Energy: 443.6978658143159
Energy: 439.1372581568315
Energy: 440.6412657098676
Energy: 446.90374920361927
Energy: 443.61130287818
Energy: 443.6365641293882
Energy: 444.8838477018727
Energy: 443.5326893557406
Energy: 445.2691360172919

minimum gb energy = 437.3981342021977 eV
minimum distance =  2.40300301876384 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 360.8957897928877
Energy: 389.5760219875526
Energy: 361.23221395522
Energy: 360.8841661258755
Energy: 389.22146462802095
Energy: 361.2320192003284
Energy: 389.471078786509
Energy: 387.46677056351285
Energy: 387.71179635416524
Energy: 386.46380256883805
Energy: 387.8431078752683
Energy: 386.6786825294464
Energy: 389.29474881289514
Energy: 361.2834289118963
Energy: 361.42004768364137
Energy: 387.3224913829029
Energy: 361.36292583254084
Energy: 361.22755726100814
Energy: 388.6365725394305
Energy: 361.28365989037746
Energy: 361.4606563888305
Energy: 385.7850347579683
Energy: 361.2817865710618
Energy: 361.47320370038045
Energy: 361.431833660271
Energy: 388.6940846624107
Energy: 388.5395133009033
Energy: 361.39971549628274
Energy: 388.7473938813795
Energy: 387.7503231373104
Energy: 360.88491265758495
Energy: 387.9700807378045
Energy: 361.2357267363491
Energy: 361.135199664062
Energy: 387.4739424960973
Energy: 361.2346208461562
Energy: 388.95320358215065
Energy: 388.3882507812814
Energy: 386.37669951112196
Energy: 386.79432483631126
Energy: 387.430816059289
Energy: 388.45106682152397
Energy: 388.3472027789967
Energy: 361.41927842347945
Energy: 361.3662793992107
Energy: 385.8007726101064
Energy: 361.3182661239702
Energy: 361.3967707451297
Energy: 388.35955911592094
Energy: 361.28537187002104
Energy: 361.4562302096513
Energy: 388.7169028134506
Energy: 361.29269614296624
Energy: 361.5719963936098
Energy: 361.44387316712096
Energy: 388.85379920991363
Energy: 383.61959764121093
Energy: 361.40777748165084
Energy: 388.5695597747464
Energy: 387.39332893142927

minimum gb energy = 360.8841661258755 eV
minimum distance =  2.32098058711197 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 400.3808596627032
Energy: 406.42478236597196
Energy: 401.1157306414116
Energy: 399.98415217916227
Energy: 407.40399460115214
Energy: 399.68976390781177
Energy: 408.3283486076167
Energy: 405.70371539415635
Energy: 404.3045629530803
Energy: 407.80059460594606
Energy: 404.9345181433348
Energy: 407.6714501378887
Energy: 408.5530214397356
Energy: 400.30842323946774
Energy: 400.05714326088923
Energy: 407.17282903714295
Energy: 400.3904415150613
Energy: 404.94179432020155
Energy: 407.89193793230424
Energy: 400.674186789307
Energy: 400.70490252571744
Energy: 407.6006359397573
Energy: 400.71902154039475
Energy: 404.2161854678033
Energy: 402.9040245671756
Energy: 404.12351251937764
Energy: 403.56251486252927
Energy: 403.21712125099873
Energy: 405.28219111898363
Energy: 404.317551570663
Energy: 401.8861425647947
Energy: 407.062305761392
Energy: 403.4776739327327
Energy: 400.176624115269
Energy: 405.18344012955583
Energy: 400.6193999531248
Energy: 407.462270144532
Energy: 402.8476281420598
Energy: 405.1325015286946
Energy: 403.52634145957444
Energy: 406.27126627898434
Energy: 407.4135668051778
Energy: 405.6925148454982
Energy: 401.95890491897273
Energy: 401.96787847186215
Energy: 405.17174369727775
Energy: 400.4491576664603
Energy: 401.98560575953354
Energy: 406.4386144630908
Energy: 402.1386813724306
Energy: 405.25897337187615
Energy: 403.16798645627347
Energy: 401.56983084423405
Energy: 405.08805556739236
Energy: 405.7515753765013
Energy: 405.2961889374538
Energy: 404.7392910907626
Energy: 403.56472314368347
Energy: 405.17894404868554
Energy: 404.6613250771639
Energy: 402.40074296324565
Energy: 405.0631729127939
Energy: 403.65889865174836
Energy: 401.9624359453371
Energy: 404.70727216912286
Energy: 402.18233080113424
Energy: 406.2734037169897
Energy: 404.3411511970968
Energy: 404.82339578769376
Energy: 404.6933626275464
Energy: 405.1281760792969
Energy: 403.46800784900336
Energy: 403.35057817046743
Energy: 401.8794976433904
Energy: 403.6104799192925
Energy: 404.43590581297616
Energy: 401.89507531031177
Energy: 405.320530002694
Energy: 406.7202694283748
Energy: 403.9719508545268
Energy: 404.5411798778294
Energy: 403.9071296027767
Energy: 403.3835805963145
Energy: 403.7631780984523
Energy: 405.643821662718
Energy: 403.1642958751308
Energy: 404.85175502508116
Energy: 403.5859040860023
Energy: 404.89884434052294
Energy: 403.52753799459924
Energy: 405.27195119182545
Energy: 404.6068117279524
Energy: 404.12363004986213
Energy: 404.5274871585064
Energy: 405.11066240846907
Energy: 404.1147850490256
Energy: 402.98588095860504
Energy: 404.7746859847454
Energy: 404.86988100813653
Energy: 405.01315568812316
Energy: 405.18495191679455
Energy: 405.4066226457723
Energy: 403.97522204450706
Energy: 403.55743254349306
Energy: 403.56239912417516
Energy: 404.29104177034446
Energy: 403.43236430905773
Energy: 403.57192538477244
Energy: 404.8987326511069
Energy: 405.39010633851393
Energy: 403.70815971333406
Energy: 404.7293326702726
Energy: 404.7752415468569
Energy: 405.14674282929224
Energy: 405.5390257253474
Energy: 404.9439826881635
Energy: 404.72258028599606
Energy: 405.0096463475097
Energy: 403.672681059088
Energy: 404.60109083305485
Energy: 404.93990196576965
Energy: 404.14314378626966
Energy: 403.5540716763999
Energy: 403.43734020087135
Energy: 403.8826201344804
Energy: 404.4746976967224
Energy: 405.1723948040015
Energy: 403.4592045225916
Energy: 405.14783457405053
Energy: 403.1624271063742
Energy: 404.49723104055744
Energy: 403.3769029776568
Energy: 405.8618663858282
Energy: 403.47251961385626
Energy: 403.4619705225861
Energy: 405.2403267293693
Energy: 403.28083255153234
Energy: 405.18743233849705
Energy: 404.7828925184912
Energy: 405.20647434173287
Energy: 403.81726478350635
Energy: 403.0282184040217
Energy: 403.34961116299354
Energy: 403.00680159994
Energy: 406.03913276215025
Energy: 403.0365909172251
Energy: 404.62624870581953
Energy: 404.98621326068195
Energy: 403.5616426386919
Energy: 404.32675446437025
Energy: 406.40145188086086
Energy: 402.95878919134816
Energy: 403.08766824041095
Energy: 403.3705066401785
Energy: 401.23767365667163
Energy: 403.76897759858355
Energy: 406.08735194591003
Energy: 402.6006741854242
Energy: 403.1276813233681
Energy: 403.2002198789274
Energy: 403.3623040960272
Energy: 403.4626968699646
Energy: 405.1607404179773
Energy: 403.52966591294023
Energy: 404.00021119815204
Energy: 403.1492542828735
Energy: 403.3968484275459
Energy: 405.1388670491748
Energy: 401.0249969453239
Energy: 403.6109572510214
Energy: 403.7033751503786
Energy: 401.19889707978257
Energy: 405.0571219866862
Energy: 401.4127642364737
Energy: 407.78860020204354
Energy: 405.1595111921829
Energy: 403.626899697644
Energy: 404.62347127207494
Energy: 405.7748484051797
Energy: 405.32168106805324
Energy: 407.2451377240987
Energy: 401.125718023604
Energy: 401.05293467110465
Energy: 405.00741557400335
Energy: 399.68390350510765
Energy: 401.4006994136458
Energy: 407.5181157116502
Energy: 401.4474012165602
Energy: 403.1404386076515
Energy: 406.2840420862871
Energy: 401.2209078337659
Energy: 407.27279380279435
Energy: 400.16152448961344
Energy: 405.36995572667587
Energy: 405.2510750580585
Energy: 401.07116828808114
Energy: 407.9462974845206
Energy: 404.49575776963775

minimum gb energy = 399.68390350510765 eV
minimum distance =  2.30053271283228 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 559.3705260857799
Energy: 571.4091372782749
Energy: 562.7603251404679
Energy: 560.7472046433473
Energy: 568.802281511707
Energy: 563.3491721218672
Energy: 570.0697265628281
Energy: 567.6654963371651
Energy: 567.9119412792264
Energy: 567.9163990150743
Energy: 566.1621404268609
Energy: 566.9377583338028
Energy: 567.8647097553945
Energy: 561.5520279533232
Energy: 563.710229237945
Energy: 566.0860096496824
Energy: 561.6975462788034
Energy: 563.7429200463062
Energy: 569.8280898531501
Energy: 564.1475181705392
Energy: 564.198724402318
Energy: 567.6632191978193
Energy: 561.2741275382901
Energy: 563.7939644866889
Energy: 565.1969792184171
Energy: 567.7794727359279
Energy: 568.7378420443034
Energy: 568.636066196478
Energy: 568.4187045355578
Energy: 568.0649695290077
Energy: 560.5241129857895
Energy: 569.2737433003367
Energy: 564.1002543330304
Energy: 564.3343354541562
Energy: 567.241866275531
Energy: 563.9773614247831
Energy: 568.2470741677563
Energy: 567.8977961059724
Energy: 568.6199555114603
Energy: 569.3408111512758
Energy: 568.2919504627566
Energy: 567.5902375471584
Energy: 566.0635600862472
Energy: 563.7790836092904
Energy: 563.935352791189
Energy: 569.1799688739632
Energy: 563.9718113402821
Energy: 568.3010971078949
Energy: 565.6904884940019
Energy: 568.5099710859993
Energy: 566.233172432239
Energy: 566.9804697824891
Energy: 565.9521813163752
Energy: 566.1809843104222
Energy: 568.6283667480104
Energy: 567.7504874496888
Energy: 565.8843693949527
Energy: 568.4357012899945
Energy: 565.7396726094788
Energy: 568.2495661149311
Energy: 568.5715452160338
Energy: 566.0057997629757
Energy: 566.3396190594216
Energy: 566.0987593347626
Energy: 568.3273817234675
Energy: 566.3021138977114
Energy: 567.187445085426
Energy: 565.8229364862407
Energy: 568.1622467512689
Energy: 565.729653083442
Energy: 566.9028079002439
Energy: 566.0059428752688
Energy: 566.1116598501857
Energy: 566.2442074903905
Energy: 565.9902643887117
Energy: 566.2193578608149
Energy: 565.7721460778807
Energy: 567.7872579697986
Energy: 567.6705023754721
Energy: 565.8568520291153
Energy: 567.5376102210755
Energy: 567.5101376651866
Energy: 567.222842994041
Energy: 566.262666897773
Energy: 569.1234112414833
Energy: 568.1753575350256
Energy: 568.1577128529025
Energy: 569.1869851450821
Energy: 565.5935320569478
Energy: 566.0680252545793
Energy: 565.6842636017868
Energy: 566.0877000402396
Energy: 567.6531617464975
Energy: 568.1718629900773
Energy: 568.0849250589229
Energy: 565.9669821159812
Energy: 568.5723050672866
Energy: 564.910123529432
Energy: 565.0179254480078
Energy: 568.5315329582381
Energy: 564.9516367719973
Energy: 567.7234689107212
Energy: 568.296386414592
Energy: 567.8189551981355
Energy: 566.1156963183411
Energy: 567.9325980398783
Energy: 566.8143887951084
Energy: 567.6810016753703
Energy: 562.1520734211092
Energy: 566.3459977031554
Energy: 565.1274428575939
Energy: 564.9666716858064
Energy: 566.5185166407463
Energy: 565.1600550748893
Energy: 568.6273621441766
Energy: 567.5800353682872
Energy: 565.8944286378679
Energy: 568.5975685589161
Energy: 567.2939122945472
Energy: 566.5269995346332
Energy: 567.8801095266924
Energy: 565.9633102766476
Energy: 565.083173319038
Energy: 568.189048632499
Energy: 562.6190786730489
Energy: 564.7828090100297
Energy: 569.6845868744314
Energy: 562.7877375693724
Energy: 566.12339928411
Energy: 567.1019728700646
Energy: 562.9967156097202
Energy: 564.9729528469544
Energy: 566.3211359963009
Energy: 565.8303447357927
Energy: 565.9746068297987
Energy: 565.4159080413576
Energy: 567.1320482414287
Energy: 566.1782321760489

minimum gb energy = 559.3705260857799 eV
minimum distance =  2.33698782987347 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 442.78322659276023
Energy: 449.4116720898358
Energy: 448.05137697939847
Energy: 443.11853254757904
Energy: 448.70567999141787
Energy: 442.50158893594954
Energy: 447.0610399333257
Energy: 447.6715056217695
Energy: 446.44989862573925
Energy: 447.3978953635967
Energy: 448.1260752856505
Energy: 447.8540998524238
Energy: 449.8512374611106
Energy: 443.4676684396076
Energy: 443.6110826206719
Energy: 448.6760111562095
Energy: 443.7687774103884
Energy: 443.7205632271116
Energy: 449.5589125996543
Energy: 443.775794523451
Energy: 443.74148735611607
Energy: 445.93621599427183
Energy: 443.9546257330888
Energy: 443.7956015175085
Energy: 450.08482746983003
Energy: 448.4939066269252
Energy: 446.17180536676534
Energy: 447.94403587927115
Energy: 446.8380718073758
Energy: 447.7513422368234
Energy: 443.83330078605866
Energy: 445.9402524753523
Energy: 447.68862286483545
Energy: 443.6980194313983
Energy: 446.6516481162106
Energy: 443.7235616460527
Energy: 447.34783203026734
Energy: 448.23614985002155
Energy: 447.21516318976074
Energy: 445.79596317997186
Energy: 446.58197201667247
Energy: 448.89501431669987
Energy: 447.3512273787381
Energy: 447.55376536976684
Energy: 447.0703066283491
Energy: 445.95642828292523
Energy: 446.98943186938897
Energy: 447.719167682569
Energy: 449.1018232465269
Energy: 448.50727443251367
Energy: 446.04995293045465
Energy: 449.6105660869534
Energy: 447.03123039902596
Energy: 447.0855594745534
Energy: 448.8136440289528
Energy: 445.74841317034884
Energy: 448.13524478659815
Energy: 446.1133602257347
Energy: 446.9034254007591
Energy: 448.07859071279734
Energy: 448.4995661054216
Energy: 447.67907997524605
Energy: 447.2558182494893
Energy: 446.31574106707467
Energy: 448.5231812322274
Energy: 447.72546912042947
Energy: 448.54101989988067
Energy: 448.4210822755935
Energy: 445.7525558053864
Energy: 448.382425776355
Energy: 445.70914605668645
Energy: 447.89778236886906
Energy: 447.86304890161995
Energy: 446.73437573841284
Energy: 448.52256317817313
Energy: 446.69868118692347
Energy: 448.26696899758224
Energy: 447.55416164007937
Energy: 445.90659335861204
Energy: 448.0485832471777
Energy: 448.60465674100755
Energy: 445.03288371798055
Energy: 448.29954324698383
Energy: 446.08500848194836
Energy: 444.78306354431135
Energy: 445.9760307581954
Energy: 446.16796218134095
Energy: 444.9590643765732
Energy: 447.82615460312866
Energy: 446.0103782705103
Energy: 449.2670602549064
Energy: 445.13667198144924
Energy: 445.2335958423672
Energy: 447.01175071165943
Energy: 444.858060047342
Energy: 447.7039494115178
Energy: 449.8368234104404
Energy: 445.2286414853382
Energy: 446.0885377111023
Energy: 448.07599445089016
Energy: 446.27071156892947
Energy: 445.10313852054776
Energy: 447.9692978621615
Energy: 446.7507654119776
Energy: 447.6993639363739
Energy: 448.3505171680095
Energy: 446.63406971035647
Energy: 448.55128811399817
Energy: 441.6932988901039
Energy: 448.15517480966736
Energy: 447.67343912470756
Energy: 442.7598096931449
Energy: 449.14800045587344
Energy: 442.6188772742727
Energy: 448.8734213523149
Energy: 446.2102302756383
Energy: 448.76024402958643
Energy: 447.18582571732287
Energy: 449.2644612159464
Energy: 447.6042691409737
Energy: 449.9403041203343
Energy: 443.07865139229347
Energy: 443.98717303629513
Energy: 447.2563890688956
Energy: 443.2490841247964
Energy: 442.9598258795953
Energy: 449.8235801900517
Energy: 443.43873885822154
Energy: 443.81589747594194
Energy: 449.1992722259117
Energy: 443.72046465251304
Energy: 443.5538000293579
Energy: 449.74471082602133
Energy: 447.9452818910894
Energy: 447.5304905493307
Energy: 448.62420634433
Energy: 447.8872695046872
Energy: 447.4781630637069
Energy: 443.59488847500137
Energy: 446.2677519573218
Energy: 448.0582380859504
Energy: 443.79128085436764
Energy: 446.017908165481
Energy: 443.7636862503863
Energy: 449.1399067076246
Energy: 448.60513398761736
Energy: 448.33268478679463
Energy: 448.27929827195857
Energy: 448.1419085614997
Energy: 448.6001437234054
Energy: 446.6737889897402
Energy: 447.44150753841274
Energy: 447.7918859462342
Energy: 446.7829313166876
Energy: 446.1152651625788
Energy: 448.49362965568577
Energy: 449.18553571057095
Energy: 447.3800215427678
Energy: 448.48572124616317
Energy: 447.91012951179107
Energy: 447.85357088940157
Energy: 447.4302582624821
Energy: 448.9390752037437
Energy: 448.23696471639784
Energy: 446.47467520461527
Energy: 448.4469479740027
Energy: 447.2018295219604
Energy: 446.0259637398403
Energy: 446.66320863756573
Energy: 447.4449748562463
Energy: 445.81386809171215
Energy: 445.7297653663122
Energy: 447.2036389986593
Energy: 447.08476039473715
Energy: 447.87337692765146
Energy: 447.5168905084585
Energy: 448.67824162136714
Energy: 448.4376868526943
Energy: 445.97856777106995
Energy: 447.6214907576084
Energy: 447.56411486414146
Energy: 447.001589568615
Energy: 448.14012747237695
Energy: 447.44602265255213
Energy: 447.28752320556845
Energy: 446.96005858783633
Energy: 446.7920361009399
Energy: 446.10711465197386
Energy: 446.54579480736174
Energy: 445.04139767214014
Energy: 447.9283818949942
Energy: 445.2135329645922
Energy: 446.41236999552524
Energy: 446.95749599982753
Energy: 446.9651497298783
Energy: 445.99248853052086
Energy: 447.68638745616664
Energy: 448.5045530101194
Energy: 448.1006831144332
Energy: 445.77498431414676
Energy: 448.5217964435329
Energy: 447.6938501075503
Energy: 444.70332398442406
Energy: 446.222700751816
Energy: 450.1363269453383
Energy: 445.14191357415785
Energy: 445.1814724279557
Energy: 448.2300682359148
Energy: 442.1236853242974
Energy: 446.33371621002277
Energy: 450.56353279768905
Energy: 448.4339383563503
Energy: 448.5092215267858
Energy: 448.26649941299576
Energy: 446.9217798999273
Energy: 446.98584790153
Energy: 441.78157401614243
Energy: 448.0601290921545
Energy: 446.6293010806041
Energy: 442.3014701144093
Energy: 446.2002208765396
Energy: 442.2323439280571

minimum gb energy = 441.6932988901039 eV
minimum distance =  2.34614707881724 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 484.13566921568344
Energy: 492.8459665350893
Energy: 490.95611082957595
Energy: 485.599830291967
Energy: 495.130482712335
Energy: 490.8223763067166
Energy: 495.81244727938883
Energy: 491.2802156695113
Energy: 495.54198230043175
Energy: 494.4565424219394
Energy: 494.6053392621552
Energy: 491.3730075117598
Energy: 496.07946364250756
Energy: 487.3947885883041
Energy: 487.5322545088596
Energy: 496.27731344379646
Energy: 486.9600569227098
Energy: 487.4346512470672
Energy: 496.2707362767113
Energy: 487.7311080498214
Energy: 487.1963193598698
Energy: 496.39832956986623
Energy: 487.5705318433684
Energy: 496.5801198767341
Energy: 495.7786956088358
Energy: 493.71568525610854
Energy: 495.65253213932033
Energy: 494.515069895865
Energy: 493.2106103855679
Energy: 491.40178964978753
Energy: 487.6347931255624
Energy: 494.3576959277455
Energy: 495.23900417473646
Energy: 487.1810584917515
Energy: 495.75010519906107
Energy: 495.327265325161
Energy: 494.7789653940014
Energy: 493.6364813264074
Energy: 495.55856398414124
Energy: 492.37398392945164
Energy: 493.75431962050817
Energy: 490.86995265726415
Energy: 493.5706633988063
Energy: 494.59716698404156
Energy: 492.9222217905634
Energy: 491.7283870053398
Energy: 493.1037282667493
Energy: 495.00316696202384
Energy: 489.70427931746684
Energy: 491.108713322173
Energy: 492.71702110972006
Energy: 489.2276367031147
Energy: 495.3978041340249
Energy: 491.45312503579754
Energy: 496.48215273207813
Energy: 493.5361698255813
Energy: 492.570861931012
Energy: 494.28641653496777
Energy: 492.00675451950565
Energy: 493.8929698472352
Energy: 495.7196773750644
Energy: 494.27918719529185
Energy: 491.1313697301017
Energy: 495.34237507697475
Energy: 489.12874891157713
Energy: 491.3693762847352
Energy: 495.56682215525507
Energy: 489.18290650129256
Energy: 489.23679125021414
Energy: 494.02487440619643
Energy: 489.20370466312437
Energy: 490.6460618248589
Energy: 495.7369928041496
Energy: 492.1429474545962
Energy: 492.8920963637787
Energy: 495.42822355318145
Energy: 495.41881155751014
Energy: 491.11392809261747
Energy: 484.45475960576044
Energy: 492.99798456882235
Energy: 491.0952616986241
Energy: 485.4868466392942
Energy: 493.1790363856302
Energy: 489.4465035185792

minimum gb energy = 484.13566921568344 eV
minimum distance =  2.34108511559064 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 367.3043828986319
Energy: 376.22043609641213
Energy: 369.4637610916721
Energy: 367.8813713714543
Energy: 375.9577246245954
Energy: 367.8475156105612
Energy: 375.2491705652936
Energy: 374.00271469556003
Energy: 375.2804790526777
Energy: 374.38349846178295
Energy: 373.18304133024793
Energy: 375.4030990945025
Energy: 374.1587903197655
Energy: 372.26365354428697
Energy: 370.6238732801278
Energy: 375.7662201429057
Energy: 370.6525133574117
Energy: 373.49807666902547
Energy: 375.391633274126
Energy: 371.34211397876567
Energy: 374.38376068131276
Energy: 375.2131791182397
Energy: 371.3025726038028
Energy: 373.67980556009036
Energy: 374.9871557514747
Energy: 371.5948708369049
Energy: 371.8712510403748
Energy: 375.2069889154642
Energy: 375.501456406235
Energy: 371.8614214786292
Energy: 374.83680722963703
Energy: 372.7788045616682
Energy: 375.0821112614396
Energy: 374.8697827319643
Energy: 373.40592439633656
Energy: 375.25564835005605
Energy: 372.74222649029207
Energy: 373.885731165177
Energy: 374.606468131205
Energy: 372.7391845880744
Energy: 373.2473028707345
Energy: 374.2535083871829
Energy: 373.4120158285753
Energy: 372.0055159930114
Energy: 374.87570353657986
Energy: 373.2100619683946
Energy: 374.6195018039423
Energy: 375.23205214457033
Energy: 369.17831359483864
Energy: 375.9101551814196
Energy: 374.44937139724453
Energy: 369.85245296178107
Energy: 375.164161583546
Energy: 371.3756307708239
Energy: 368.84864809664225
Energy: 375.5638809328667
Energy: 376.1648137280748
Energy: 369.7898590031204
Energy: 375.5936420997218
Energy: 371.27393328177413
Energy: 374.02536772626866
Energy: 370.49431881035963
Energy: 375.65549305119754
Energy: 374.2747021569601
Energy: 370.4534158826589
Energy: 375.0238002054485
Energy: 376.6712085669252
Energy: 368.91735693884607
Energy: 368.6665572494781
Energy: 377.0080702769639
Energy: 367.03527899580814
Energy: 368.3696785236898
Energy: 375.6454328316578
Energy: 374.7707035575193
Energy: 375.32784226900264
Energy: 375.95566688172556
Energy: 375.25288056291845
Energy: 373.8373920492609
Energy: 372.2762218467257
Energy: 375.2659028526666
Energy: 371.98241978855106
Energy: 371.17632421265523
Energy: 374.876933554463
Energy: 375.2399788508672
Energy: 373.6917723763247
Energy: 374.91279188519644
Energy: 374.6502274419961
Energy: 372.54652808758806
Energy: 374.0212769008705
Energy: 372.582223178711
Energy: 372.0960747356778
Energy: 374.5577200775918
Energy: 371.8592113556239
Energy: 371.4036977196651
Energy: 375.87129141771027
Energy: 375.1975688225863
Energy: 374.5646284123334
Energy: 374.3262033155612
Energy: 372.0400873292539
Energy: 373.3441355690352
Energy: 375.24126849781715
Energy: 374.676816950745
Energy: 373.8537180341692
Energy: 371.51038761144093
Energy: 375.4919097271754
Energy: 373.3132266133974
Energy: 372.90013581856385
Energy: 372.8001828568768
Energy: 373.3607960547014
Energy: 374.5296833906783
Energy: 374.3482029587464
Energy: 375.4312695356599
Energy: 374.5233849988037
Energy: 375.1194696028141
Energy: 376.15779026520084
Energy: 369.60790457388214
Energy: 369.55533138205743
Energy: 375.4085799378493
Energy: 369.95802672910617
Energy: 372.98675289647633
Energy: 375.861421152954
Energy: 369.71716220825164
Energy: 372.93248747982136
Energy: 373.68546322581915
Energy: 369.81299637145923
Energy: 375.2675965949473
Energy: 371.9607318836886
Energy: 374.74541334583057
Energy: 375.23256869201396
Energy: 370.3115349539724
Energy: 376.2332337418897
Energy: 374.9511002152494
Energy: 368.1046299248256
Energy: 375.0182544486237
Energy: 370.3757062018311
Energy: 369.1280082454574
Energy: 374.68895090460103
Energy: 371.35386320918064
Energy: 374.0779139857149
Energy: 375.35545421528224
Energy: 371.93456739603863
Energy: 375.13762041239494
Energy: 375.2304078806034
Energy: 371.9195342649259
Energy: 375.28454950471524
Energy: 375.42853228722794
Energy: 373.7916442856596
Energy: 373.2266886884365
Energy: 370.1443485917585
Energy: 373.79168474212725
Energy: 374.98277654479807
Energy: 374.53149658489383
Energy: 374.9870794390798
Energy: 373.75243330731456
Energy: 373.26002229889764
Energy: 374.9759686548567
Energy: 375.1358475218442
Energy: 375.2608450819897
Energy: 375.2269646016247
Energy: 374.68794837199556
Energy: 374.96745725267516
Energy: 374.9692425016222
Energy: 374.0240729199063
Energy: 372.1028782026954
Energy: 372.18113335861347
Energy: 374.6769993710575
Energy: 375.424597626397
Energy: 374.15369374714834
Energy: 375.75983112780165
Energy: 371.83030793562676
Energy: 371.1203013308399
Energy: 375.6933917784303
Energy: 369.6997956419254
Energy: 372.90389231954714
Energy: 375.6839836059424
Energy: 372.83662938225706
Energy: 374.89766352260784
Energy: 374.58358478150376
Energy: 373.7308720100107
Energy: 372.79769766212615
Energy: 367.12670595128884
Energy: 376.5690455336525
Energy: 370.51741275481425
Energy: 368.12448631015593
Energy: 376.632387435598
Energy: 370.77536160024937

minimum gb energy = 367.03527899580814 eV
minimum distance =  2.31360702694286 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 417.00166955211
Energy: 426.3636046653818
Energy: 416.38209677454006
Energy: 417.2802125077072
Energy: 421.6526046615951
Energy: 419.62762458845253
Energy: 423.4957863712118
Energy: 420.06077176798897
Energy: 426.3052280620472
Energy: 426.2680028618278
Energy: 419.9906974471401
Energy: 423.2621689641814
Energy: 427.3822961137047
Energy: 413.7193477551809
Energy: 413.8144254368306
Energy: 427.33426199237255
Energy: 414.2277778185867
Energy: 424.91654598462185
Energy: 421.9455277648678
Energy: 423.9415094450917
Energy: 426.27158386726575
Energy: 424.7214648230339
Energy: 414.3729827225263
Energy: 425.11409580707493
Energy: 423.91353239052046
Energy: 420.93572610260185
Energy: 421.5962342712341
Energy: 426.21946669015296
Energy: 427.6284803917604
Energy: 422.4945472780414
Energy: 427.3316733076485
Energy: 426.2284064278454
Energy: 420.7384855280522
Energy: 424.7989337385822
Energy: 420.32234764662286
Energy: 425.09292186248865
Energy: 419.94313751725326
Energy: 416.66133209946594
Energy: 416.5926921871925
Energy: 426.00590601316503
Energy: 418.7626841078948
Energy: 426.7156792479215
Energy: 426.8164064886643
Energy: 423.4330209865798
Energy: 422.1691670990784
Energy: 422.1811410385084
Energy: 426.3339009842422
Energy: 424.93595215323546
Energy: 419.1353536550707
Energy: 424.05571406971376
Energy: 419.22894730875527
Energy: 417.1951531613103
Energy: 426.1424712733007
Energy: 417.05337425778345
Energy: 417.1312188419373
Energy: 425.85237363481076
Energy: 417.04827198567824
Energy: 419.35468288276354
Energy: 425.86799843114
Energy: 417.5857074242083
Energy: 426.92013944888646
Energy: 420.3245563621694
Energy: 426.4645194648827
Energy: 425.2267372429978
Energy: 420.1954117821106
Energy: 426.4578173710716
Energy: 427.64326562212426
Energy: 413.8161872953519
Energy: 413.71066756989666
Energy: 426.71896286486236
Energy: 413.9103888173209
Energy: 427.96176447890696
Energy: 426.85539854832865
Energy: 420.08616666293574
Energy: 425.93956504340713
Energy: 422.337047923642
Energy: 424.1325291566341
Energy: 426.09340461742505
Energy: 426.9974851424095
Energy: 421.5756778706108
Energy: 425.809807069292
Energy: 420.16358313164363
Energy: 427.67657388343457
Energy: 426.5863700180104
Energy: 422.26902747431484
Energy: 417.30266468533625
Energy: 421.30108621585737
Energy: 426.0685960297194
Energy: 417.20329873386083
Energy: 423.6450321273739
Energy: 425.20380365931794
Energy: 416.6586937362076
Energy: 419.2118296277827
Energy: 426.230646128055
Energy: 416.89260742547117
Energy: 421.29868741267325
Energy: 416.6191507234935
Energy: 422.6416834112902
Energy: 421.305825686326
Energy: 418.04902263154764
Energy: 426.44085864276667
Energy: 421.63692044116107

minimum gb energy = 413.71066756989666 eV
minimum distance =  2.34829911493378 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 507.7563277449498
Energy: 512.8695336414215
Energy: 507.6388224768722
Energy: 507.9516311444861
Energy: 518.5915379880942
Energy: 507.8809744943412
Energy: 511.5742468005441
Energy: 512.5968094700484
Energy: 511.84659624707683
Energy: 515.0921903264581
Energy: 511.73109328262893
Energy: 514.29452088008
Energy: 515.9571606090561
Energy: 509.2125365678892
Energy: 512.2456224538741
Energy: 511.62137654966415
Energy: 509.36265790902956
Energy: 512.5612826767522
Energy: 511.82152009659393
Energy: 513.6044164440189
Energy: 514.1763482188111
Energy: 515.542940537188
Energy: 514.5588380553229
Energy: 514.61651508082
Energy: 513.6278409536471
Energy: 514.3721950579655
Energy: 511.54058865064496
Energy: 511.5372746508403
Energy: 515.6885954536124
Energy: 515.3007118469679
Energy: 514.2064310415585
Energy: 514.8328319150156
Energy: 513.4402763560594
Energy: 515.7378402761623
Energy: 512.5920407068122
Energy: 511.94919992135306
Energy: 516.6000092652455
Energy: 508.0076826212801
Energy: 513.6947899280218
Energy: 515.773552174733
Energy: 508.1071336014001
Energy: 510.3772527702232
Energy: 512.7937924470958
Energy: 510.51124765786705
Energy: 514.6614619638628
Energy: 515.3466332598942
Energy: 512.6713264639722
Energy: 514.1811754875994
Energy: 509.4019760415246
Energy: 515.92486519537
Energy: 513.1453921394495
Energy: 509.91760794294606
Energy: 511.5523399137814
Energy: 509.57079289083777
Energy: 509.48154881185746
Energy: 514.3094786964248
Energy: 516.6233361696626
Energy: 509.66881042668723
Energy: 511.55734377662947
Energy: 515.6218601367332
Energy: 512.7862946076195
Energy: 513.3248389242283
Energy: 515.6758107546234
Energy: 515.658708609612
Energy: 511.721771727991
Energy: 515.5540429505844
Energy: 513.1427506042077
Energy: 515.9312979886788
Energy: 512.3500955855874
Energy: 512.5758060767141
Energy: 513.3973678785688
Energy: 514.9054609767902
Energy: 510.4291343543053
Energy: 514.6922165849132
Energy: 514.605279444989
Energy: 513.3988300319778
Energy: 511.6973421456802
Energy: 510.59919035683566
Energy: 510.6550130489871
Energy: 513.9046278498538
Energy: 511.6820636718168
Energy: 514.1915723619154
Energy: 516.2771884022771
Energy: 512.7347206637259
Energy: 516.7856894070825
Energy: 509.2087822173726
Energy: 509.46326537599265
Energy: 516.319908588622
Energy: 510.5761989783549
Energy: 511.694918437206
Energy: 517.4379743255388
Energy: 507.0205360728429
Energy: 509.3085289671476
Energy: 517.110487767904
Energy: 506.90028796878374
Energy: 509.2021285163939
Energy: 517.063321583517
Energy: 515.2086457308167
Energy: 511.8560788921496
Energy: 514.9046663227397
Energy: 514.1144817147022
Energy: 512.2130453254595
Energy: 516.5692085807435
Energy: 513.6328755725173
Energy: 514.5359486059025
Energy: 513.5747630121813
Energy: 515.1589383923748
Energy: 515.6541168955981
Energy: 515.6926235341315
Energy: 515.9909868465528
Energy: 514.8257836416885
Energy: 511.7167244017024
Energy: 512.4466335550346
Energy: 514.2281504354019
Energy: 516.2329951929679
Energy: 514.4000571398777
Energy: 515.1054917087739
Energy: 511.606898089392
Energy: 514.7528202177292
Energy: 515.7459296198801
Energy: 507.93270743687305
Energy: 515.1371429230819
Energy: 515.6283615478388
Energy: 508.3051277656144
Energy: 513.8285567332543
Energy: 514.2400395128064

minimum gb energy = 506.90028796878374 eV
minimum distance =  2.2959723030469 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 452.8842842378055
Energy: 461.62743825875884
Energy: 453.2714069834706
Energy: 452.4677836106045
Energy: 461.30990851729246
Energy: 452.9859344549877
Energy: 459.9340114522823
Energy: 462.8990066974597
Energy: 461.45216780126856
Energy: 460.0859103183214
Energy: 461.076882972538
Energy: 459.46653275903043
Energy: 461.82437235048326
Energy: 461.58311582015955
Energy: 462.82441827921195
Energy: 459.19810652612694
Energy: 448.90188656669926
Energy: 458.89998611160496
Energy: 462.20986571739417
Energy: 461.3181543731026
Energy: 461.5982991631374
Energy: 459.7917762203782
Energy: 461.416110322525
Energy: 457.05723583595926
Energy: 454.70017970827115
Energy: 460.4117036613055
Energy: 457.59146037833074
Energy: 453.12311908588134
Energy: 461.0585753418031
Energy: 458.3010594401247
Energy: 462.09166013007416
Energy: 460.5156636009564
Energy: 460.6834673770576
Energy: 456.61243199188453
Energy: 461.0820320698045
Energy: 459.5438246670682
Energy: 462.2119371042789
Energy: 453.9983956829404
Energy: 453.93955041550834
Energy: 461.6001666260448
Energy: 453.9362949183843
Energy: 453.7413384515526
Energy: 461.1111420859419
Energy: 454.3196533153793
Energy: 457.3998261536264
Energy: 461.03983154938004
Energy: 454.2239830085378
Energy: 460.0743731941916
Energy: 462.55179500988896
Energy: 463.47503252841165
Energy: 461.30053528957455
Energy: 457.07442997963085
Energy: 463.3193214626109
Energy: 458.9155887843347
Energy: 457.9324263625132
Energy: 458.3460339742681
Energy: 456.89188345925857
Energy: 461.13854348346604
Energy: 456.7777751474004
Energy: 460.6696718704501
Energy: 459.80200480560603
Energy: 461.83352975402323
Energy: 459.70667150791525
Energy: 458.3345277330965
Energy: 453.1732923296516
Energy: 460.74601398658075
Energy: 461.3167365630585
Energy: 456.56583437573175
Energy: 461.3575109128424
Energy: 456.3482641338611
Energy: 461.22975081944514
Energy: 456.358570479089
Energy: 454.1769836381767
Energy: 457.2205748980467
Energy: 455.6358032016913
Energy: 454.0382164001413
Energy: 459.86919748958843
Energy: 453.85098429550396
Energy: 454.5049051452346
Energy: 459.634942361273
Energy: 461.41132035295453
Energy: 456.35122739583096
Energy: 461.37664044067935
Energy: 454.1231794744049
Energy: 462.77971315464094
Energy: 460.45322166420215
Energy: 460.6322479269758
Energy: 461.63463553893666
Energy: 461.67469217207554
Energy: 461.3687213751607
Energy: 461.7500883274371
Energy: 457.5711693905753
Energy: 457.61531063486837
Energy: 459.83443409804966
Energy: 460.59929358641597
Energy: 459.60806537578577
Energy: 453.37135006352196
Energy: 456.3635024593913
Energy: 461.85662954803536
Energy: 454.3308860037106
Energy: 460.98673963802946
Energy: 461.3663443415295
Energy: 461.35244295023324
Energy: 460.55713901963765
Energy: 460.8713363256832
Energy: 460.94972698167123
Energy: 459.7900774722195
Energy: 461.51145341660964
Energy: 460.54806464523045
Energy: 454.16810799626364
Energy: 454.1387035253301
Energy: 459.4526499018005
Energy: 456.587457594399
Energy: 454.25472239854366
Energy: 460.0999733534466
Energy: 454.00099228748024
Energy: 455.99540723850737
Energy: 461.6529523870475
Energy: 454.83052112343853
Energy: 454.86643037880106
Energy: 461.9837908512086
Energy: 461.3961137005211
Energy: 458.9083960536765
Energy: 460.04586679799235
Energy: 457.88583691592555
Energy: 461.34282154518843
Energy: 448.8313426745775
Energy: 460.57272410958717
Energy: 456.7766954989668
Energy: 448.6957153159364
Energy: 459.618186090747
Energy: 460.8625842025892
Energy: 461.7253915285858
Energy: 458.2684176260883
Energy: 460.41793044572717
Energy: 461.91181212390694
Energy: 461.48492292747954
Energy: 460.7957425504573
Energy: 460.7981452864918
Energy: 456.34513191841717
Energy: 461.51823974620083
Energy: 461.0150174872374
Energy: 461.62965814753034
Energy: 461.2093035850163
Energy: 455.5944181568786
Energy: 462.3553404947299
Energy: 461.43072362669966
Energy: 454.5550867090158
Energy: 460.82672951986535
Energy: 453.075138179581

minimum gb energy = 448.6957153159364 eV
minimum distance =  2.3276111580135 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 347.2272917072554
Energy: 358.9898037305638
Energy: 349.73272716368587
Energy: 346.89281046393
Energy: 355.6566200756117
Energy: 348.533441467738
Energy: 355.1153871188523
Energy: 355.24867497840023
Energy: 355.23903007820064
Energy: 354.87140878440084
Energy: 351.9615108689823
Energy: 352.335678675311
Energy: 355.2269644620559
Energy: 355.1710523982606
Energy: 355.4570307488631
Energy: 354.6042396547974
Energy: 355.3215745870744
Energy: 355.4064629390251
Energy: 354.86217390272503
Energy: 355.0379409512016
Energy: 354.99776401822913
Energy: 354.9409084806223
Energy: 354.5385009705587
Energy: 354.6892298915471
Energy: 350.76248375576586
Energy: 353.37668206070316
Energy: 355.3557948160161
Energy: 350.9245560867381
Energy: 355.4344037373717
Energy: 353.1625754320097
Energy: 355.5220182840765
Energy: 352.24427399228836
Energy: 352.5296094407883
Energy: 351.8192745358487
Energy: 352.78857319024195
Energy: 355.3185750369987
Energy: 355.81287123657097
Energy: 347.6687669758223
Energy: 347.7587093696034
Energy: 357.2959150365564
Energy: 348.6360674326112
Energy: 348.2169993372307
Energy: 355.56443829465877
Energy: 351.25159704120387
Energy: 355.8231916256681
Energy: 355.7888384133681
Energy: 350.31290377475085
Energy: 355.73311140845715
Energy: 355.71463967702226
Energy: 353.97072469023504
Energy: 355.23315966666746
Energy: 355.1610056585982
Energy: 354.1103503199308
Energy: 354.12649557842616
Energy: 354.5083154523407
Energy: 354.6473964401267
Energy: 354.286469967453
Energy: 354.72452221947793
Energy: 354.6916809219701
Energy: 355.3058219293348
Energy: 356.02093151394007
Energy: 352.1599895442681
Energy: 352.90877184435595
Energy: 355.8596367015443
Energy: 354.20291989211995
Energy: 353.9732688142577
Energy: 355.26300112350197
Energy: 351.9524753755875
Energy: 353.26300175947983
Energy: 355.2869010754458
Energy: 355.24934274115657
Energy: 353.53900597639677
Energy: 347.82254462481234
Energy: 355.7948966942529
Energy: 351.05644631099915
Energy: 348.2551773206876
Energy: 355.7517009806513
Energy: 350.43670998643495
Energy: 349.9661528592364
Energy: 352.1023581388375
Energy: 354.0581589725737
Energy: 351.09423625663754
Energy: 355.4266406830699
Energy: 353.63012244200496
Energy: 352.845373554409
Energy: 355.0980415072636
Energy: 355.1601738125365
Energy: 354.9825077802027
Energy: 353.81310773534204
Energy: 355.1393039699085
Energy: 355.06042542502615
Energy: 354.3318260955867
Energy: 355.23034584605733
Energy: 355.1550482205844
Energy: 352.47452428585336
Energy: 354.491931384876
Energy: 350.423459965977
Energy: 355.26764452454046
Energy: 353.4543201883893
Energy: 349.29276792395206
Energy: 353.75419494520696
Energy: 354.681469048555
Energy: 350.85077719610433
Energy: 355.20947994990075
Energy: 353.7138685745297
Energy: 351.91683368213927
Energy: 354.8319909441335
Energy: 354.11441648254174
Energy: 355.4485477074096
Energy: 350.93406486849454
Energy: 350.02799503521356
Energy: 355.14270898972063
Energy: 350.2435410912908
Energy: 351.83733445617054
Energy: 354.41836132435867
Energy: 351.1131414392738
Energy: 350.1411603997083
Energy: 354.9228996892983
Energy: 350.0791523443061
Energy: 355.2925360961696
Energy: 354.28913786000123
Energy: 353.6683249673895
Energy: 354.5576247758665
Energy: 355.31983245420076
Energy: 351.80673576434964
Energy: 354.53340333292647
Energy: 354.1589406836524
Energy: 354.4519658000338
Energy: 354.3488387181472
Energy: 355.0227960151394
Energy: 354.84262383303695
Energy: 354.3250119957061
Energy: 356.42112484307654
Energy: 349.3411182011296
Energy: 349.2987117094633
Energy: 355.41281495867787
Energy: 349.480273246055
Energy: 352.0817173980205
Energy: 356.6732999419577
Energy: 349.18126418473753
Energy: 352.67359522066175
Energy: 355.8352950839951
Energy: 349.25572375017475
Energy: 352.73037543038794
Energy: 354.94435060642815
Energy: 353.3599019659696
Energy: 353.7281713223282
Energy: 355.27885402971066
Energy: 354.146452396813
Energy: 353.51115804528627
Energy: 352.1433610273116
Energy: 355.5062649330474
Energy: 354.80029798017034
Energy: 349.9527742429139
Energy: 355.38049844750725
Energy: 355.10001907699007
Energy: 355.3673275313445
Energy: 351.7588055424857
Energy: 352.9995543438994
Energy: 355.15756786999054
Energy: 353.9336366456092
Energy: 353.6297448538205
Energy: 356.08765065653876
Energy: 355.06144700488403
Energy: 355.3133482926262
Energy: 355.31510832126935
Energy: 353.45227039162324
Energy: 354.3418592433406
Energy: 346.97164057023997
Energy: 354.9981144753442
Energy: 355.48427852242173
Energy: 347.4771386679139
Energy: 352.97506001314514
Energy: 349.3903778601269

minimum gb energy = 346.89281046393 eV
minimum distance =  2.33673278666421 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 395.24087470207985
Energy: 407.20911974799446
Energy: 398.5790863336966
Energy: 396.33741019729376
Energy: 408.7330923454991
Energy: 395.5941273865053
Energy: 406.0341397978772
Energy: 405.0330394279229
Energy: 402.3868003558763
Energy: 403.73022963365065
Energy: 404.03484790466445
Energy: 402.9051228784108
Energy: 405.6678993557736
Energy: 405.2927203897971
Energy: 403.0191890645526
Energy: 405.3714817092788
Energy: 404.77966776676243
Energy: 402.22096492146306
Energy: 405.9208294549855
Energy: 404.3373636604246
Energy: 404.83993917332384
Energy: 404.950184167139
Energy: 404.4274949848537
Energy: 401.1710206894979
Energy: 402.27150582720554
Energy: 403.95761768012227
Energy: 402.9048902193892
Energy: 399.169717241356
Energy: 405.6527666482138
Energy: 399.1494384282347
Energy: 404.0614530516495
Energy: 403.95061163392637
Energy: 403.83537332276643
Energy: 404.8013739371768
Energy: 403.49312417590755
Energy: 405.49872776891294
Energy: 407.8238613241328
Energy: 400.16928812901864
Energy: 397.4312241531268
Energy: 406.3573900984796
Energy: 397.6856804689081
Energy: 398.9802040935329
Energy: 403.99289994877864
Energy: 400.97574269238174
Energy: 405.97810570906427
Energy: 404.67403381338875
Energy: 398.64913197963966
Energy: 405.02306426399167
Energy: 400.6979994292138
Energy: 402.56565541434026
Energy: 402.243426538068
Energy: 404.1546057053485
Energy: 402.94392369760743
Energy: 403.25510493518846
Energy: 403.026933964106
Energy: 405.0234083029375
Energy: 401.8314038347765
Energy: 402.58503862157073
Energy: 403.1706177954718
Energy: 403.4587883792989
Energy: 406.5325396549834
Energy: 402.4544796742077
Energy: 399.9063737980154
Energy: 405.69658121117516
Energy: 398.72084200788055
Energy: 402.1868135996832
Energy: 403.8726179832358
Energy: 403.56591164899265
Energy: 404.2190017395063
Energy: 404.46208795672237
Energy: 402.7577004403365
Energy: 404.1725411904737
Energy: 397.25714396016144
Energy: 404.8894261004293
Energy: 400.9610275437853
Energy: 397.6007397049478
Energy: 403.14725766774103
Energy: 401.1214908577513
Energy: 397.84168543231584
Energy: 405.004125356882
Energy: 405.26115561510545
Energy: 397.9494172743078
Energy: 404.68516727793303
Energy: 401.282867423971
Energy: 405.33796274548126
Energy: 404.50368952496433
Energy: 401.6392273411443
Energy: 401.55584377435105
Energy: 404.9355834660542
Energy: 404.1412372628117
Energy: 403.12345752112003
Energy: 403.8139114757663
Energy: 404.9821569588503
Energy: 405.48695629000656
Energy: 403.29754675932105
Energy: 404.79839816751445
Energy: 395.4053785823742
Energy: 405.2316293781773
Energy: 401.93541039443016
Energy: 396.4080414247491
Energy: 404.5568788489746
Energy: 396.3403416625841
Energy: 400.9610496347273
Energy: 403.6157462616317
Energy: 404.4504414374701
Energy: 400.5168108801417
Energy: 404.3047185753748
Energy: 399.51995192081495
Energy: 405.5775039900204
Energy: 405.12929539955627
Energy: 401.2114062823449
Energy: 400.95957420381717
Energy: 404.90114586834136
Energy: 404.81735373960544
Energy: 404.3967531185259
Energy: 404.6712468039966
Energy: 404.9427290022592
Energy: 405.28526613492744
Energy: 405.047569206191
Energy: 401.5596389448248
Energy: 402.29849462840957
Energy: 400.91298966175094
Energy: 403.6702550963618
Energy: 399.23443210793135
Energy: 405.2512075211562
Energy: 399.35116720895
Energy: 403.1043222336277
Energy: 401.89227314033496
Energy: 404.5879622758945
Energy: 402.73149500662726
Energy: 404.90256397515446
Energy: 405.12514024442845
Energy: 406.3254284824307
Energy: 397.6553592907866
Energy: 398.79912411524657
Energy: 406.3247169948363
Energy: 398.83135237025596
Energy: 398.600340300822
Energy: 407.00414412221716
Energy: 397.5772140520747
Energy: 397.57053054064875
Energy: 405.8167655404992
Energy: 398.57005007744993
Energy: 406.02470825673595
Energy: 404.37737243859937
Energy: 403.8599778706013
Energy: 403.39618307120475
Energy: 401.8421114161218
Energy: 403.8425154937529
Energy: 405.19961521757637
Energy: 400.80107498392215
Energy: 403.64363549218007
Energy: 403.358887363255
Energy: 400.93355064784174
Energy: 405.07095741054087
Energy: 403.3913849701533
Energy: 406.609291277211
Energy: 399.44088402613244
Energy: 401.42256825799507
Energy: 400.5368121950741
Energy: 399.6261301217065
Energy: 400.54495734157587
Energy: 403.4149897646155
Energy: 399.37803418096803
Energy: 401.3199296146721
Energy: 405.3016122440766
Energy: 401.30458002504577
Energy: 404.19050205036376
Energy: 397.17895591786515
Energy: 405.0362114497119
Energy: 405.0707434202086
Energy: 397.76916876516447
Energy: 402.7430976070551
Energy: 403.1791441717276
Energy: 398.42244192498146
Energy: 405.0799522879889
Energy: 401.3820566966672
Energy: 397.8015063335643
Energy: 404.12132872643997
Energy: 402.3264611916038
Energy: 403.43492811039164
Energy: 400.87368307117436
Energy: 402.1726259337919
Energy: 403.0102128693552
Energy: 403.34231862073125
Energy: 400.8420821587056
Energy: 405.5963177367039
Energy: 402.5134480271688
Energy: 404.6305558162495
Energy: 404.172957462057
Energy: 403.4836499679811
Energy: 400.950319227106
Energy: 395.944198014993
Energy: 405.77681892986215
Energy: 399.46806468280136
Energy: 396.2814349154082
Energy: 404.8629610442722
Energy: 400.91489429583027

minimum gb energy = 395.24087470207985 eV
minimum distance =  2.30346160342333 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 392.89357124924805
Energy: 412.90076940020464
Energy: 393.855626369108
Energy: 392.86546470426595
Energy: 413.1702435938327
Energy: 393.9585999113909
Energy: 400.0567750346661
Energy: 409.26753606694064
Energy: 405.6211101574705
Energy: 407.7921960381509
Energy: 405.82129981920275
Energy: 410.4734547994122
Energy: 413.2825187582387
Energy: 410.8757547817471
Energy: 413.7476275814241
Energy: 412.9120642880262
Energy: 413.27692487866784
Energy: 411.74622142940814
Energy: 400.2074258385094
Energy: 409.2675360669411
Energy: 405.621110157471
Energy: 407.7921960381515
Energy: 405.8212998192032
Energy: 410.4734547994122

minimum gb energy = 392.86546470426595 eV
minimum distance =  2.2767959386506 Angstroms
sigma value = 1