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-1.374811(137) -1.443107(48) \n", "180.000000 |-2.256585(19) -2.389880(5) -0.321013(4) 0.536556(2) 0.000000(0) -0.630925(2) -0.026084(12) -0.096052(25) -0.247027(24) -0.153556(10) -0.215194(5) -0.887503(8) -1.112312(6) -0.846380(2) -1.480079(12) -1.722738(42) -1.729292(68) -1.782976(54) -2.256585(19) \n", "\n", "\n", "Array #1 (1/8) aa/phi\n", "-180.000000 -160.000000 -140.000000 -120.000000 -100.000000 -80.000000 -60.000000 -40.000000 -20.000000 0.000000 20.000000 40.000000 60.000000 80.000000 100.000000 120.000000 140.000000 160.000000 180.000000 \n", "A |-0.659176(6) -0.720053(20) -0.979738(23) -0.811005(20) 0.049433(23) 0.511296(78) 0.538136(94) 0.570457(28) 0.000000(0) 0.000000(0) 0.000000(0) -0.280963(1) 0.355628(2) 0.992219(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -0.659176(6) \n", "C |0.000000(0) 0.000000(0) -0.197592(3) -0.219484(5) -0.451849(8) -0.535829(12) -0.436733(8) -0.087032(2) 0.000000(0) 0.000000(0) 0.000000(0) -1.044207(1) -1.044207(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "D |0.443849(1) -0.497918(7) -0.523134(13) 0.095286(21) 0.585307(34) 0.505322(49) 0.552338(40) 1.123700(11) 0.000000(0) 0.000000(0) 0.000000(0) -2.167275(3) -2.167275(3) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.443849(1) \n", "E |0.263504(1) -0.994417(6) -0.824178(11) -0.230408(25) -0.161079(28) 0.539527(54) 0.802956(63) 1.103656(18) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -1.723750(1) -1.723750(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.263504(1) \n", "F |0.000000(0) -1.284825(4) -0.799820(16) -0.136131(28) 0.463361(25) 0.179845(26) -0.125997(20) 0.180661(3) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "G |0.138536(11) -0.003483(15) -0.685652(14) -0.177279(13) 0.529750(23) 0.519257(28) 0.293653(18) 0.177842(7) 0.000000(0) 0.000000(0) 1.578055(1) 0.008999(5) 0.412512(27) 0.341406(59) 0.307268(44) 0.802923(10) 0.232834(5) -0.808295(6) 0.138536(11) \n", "H |0.622435(1) -0.028960(4) -0.360917(9) 0.141407(9) 1.342740(9) 1.682017(11) 1.700508(9) 1.276102(4) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.622435(1) \n", "I |0.000000(0) -1.499965(3) -0.854845(19) -0.468007(36) -0.289128(35) -0.040653(37) 0.032230(30) -0.317791(8) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "K |-1.459029(2) -0.601938(6) 0.049746(22) -0.076919(31) 0.293260(36) 0.802881(50) 0.720594(41) 0.295007(14) 0.000000(0) 0.000000(0) 0.000000(0) -1.567657(2) -0.745942(4) 0.075772(2) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -1.459029(2) \n", "L |0.000000(0) -2.114989(2) -0.894126(20) -0.734535(32) -0.664712(37) -0.262643(68) -0.037528(54) 0.121275(9) 0.000000(0) 0.000000(0) 0.000000(0) -2.671286(2) -2.671286(2) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "M |-0.863808(1) -1.228595(5) -0.794691(7) -0.203081(5) 0.195091(6) 0.447797(13) 0.479433(12) 0.611370(3) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -0.863808(1) \n", "N |0.000000(0) -0.311633(9) -0.416648(18) -0.322534(18) 0.236234(28) 0.361601(35) 0.194408(24) -0.033132(8) 0.000000(0) 0.000000(0) 0.000000(0) -0.639340(9) -0.572767(15) -0.472907(6) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "P |0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -1.382798(9) -0.606122(35) -0.546188(46) -0.817778(20) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "Q |0.000000(0) -1.339538(1) -0.651666(6) -0.064626(12) 0.058324(20) 0.427816(35) 0.917907(27) 1.836294(5) 0.000000(0) 0.000000(0) 0.000000(0) -1.570618(1) -1.991645(4) -2.131987(3) 0.000000(0) 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|-0.425873(66) -0.413769(13) -0.913753(2) 0.000000(0) -0.857314(1) -0.820714(2) -1.081234(2) -0.330096(4) -0.355241(11) -0.408672(14) -0.173406(10) -0.331382(7) -0.108745(10) 0.084738(12) 0.019706(26) 0.005819(88) -0.106167(149) -0.292975(137) -0.425873(66) \n", "-120.000000 |-0.432035(51) -0.498766(5) -0.407629(2) -0.173259(1) -0.857314(1) -1.347597(4) -1.432696(5) -0.434944(10) -0.475162(29) -0.506693(43) -0.339520(34) -0.226223(16) -0.161150(9) -0.129419(15) -0.240181(60) -0.304793(186) -0.279795(230) -0.283407(141) -0.432035(51) \n", "-100.000000 |0.268257(47) -0.020293(10) 0.020234(4) -0.165184(2) 0.000000(0) -0.744927(7) -0.457355(18) -0.224663(34) -0.330309(93) -0.407115(108) -0.415461(53) -0.225672(16) 0.358415(7) 0.284004(17) -0.083641(72) -0.334410(205) -0.317015(222) 0.021533(117) 0.268257(47) \n", "-80.000000 |0.678045(41) 0.831095(7) 0.448098(2) -0.157110(1) 0.000000(0) -0.184413(8) 0.327160(142) 0.335301(288) 0.128618(247) -0.222515(117) -0.363781(30) -0.290856(6) 0.365724(9) 0.575741(16) 0.197366(37) 0.009962(135) 0.190579(197) 0.477298(127) 0.678045(41) \n", "-60.000000 |0.548280(14) 1.763380(2) 0.000000(0) 0.000000(0) 0.000000(0) -0.010747(4) 0.210403(217) 0.261950(407) 0.271235(233) 0.073545(41) 0.841805(3) 1.794744(1) 0.440324(3) 0.581727(4) -0.308814(5) 0.252084(71) 0.425339(133) 0.516298(78) 0.548280(14) \n", "-40.000000 |0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -0.033208(1) -0.011881(90) 0.057135(147) 0.173484(61) 0.382520(3) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -1.453648(1) -0.001587(26) 0.080068(32) 0.164255(7) 0.000000(0) \n", "-20.000000 |0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 1.582856(1) 1.582856(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.039440(1) -0.245001(2) -0.529442(1) 0.000000(0) \n", "0.000000 |0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "20.000000 |0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.941604(2) 0.941604(2) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "40.000000 |0.000000(0) 0.000000(0) 1.352033(2) 1.819579(3) 2.754670(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -1.586747(3) -0.996614(14) -0.571389(26) -0.377584(15) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) \n", "60.000000 |1.581717(3) 1.534484(7) 1.116979(9) 1.139378(9) 1.549457(4) -1.556742(1) -0.619899(2) 0.693831(2) 0.996365(3) -0.108971(15) -0.501494(33) -0.674555(36) -0.705475(16) 0.000000(0) 0.000000(0) -3.348069(1) -3.348069(1) 0.000000(0) 1.581717(3) \n", "80.000000 |1.211701(9) 1.350858(11) 0.837846(8) 0.592812(7) 1.147719(3) -1.270843(2) -0.696965(4) -0.838245(4) 0.075193(12) 0.106540(34) -0.188388(34) -0.750696(13) -1.246875(3) 0.000000(0) 0.000000(0) -3.348069(1) -1.269889(2) 0.950133(3) 1.211701(9) \n", "100.000000 |0.290442(8) 0.046905(6) -0.645982(1) -0.645982(1) 0.000000(0) -0.984945(1) -0.774031(2) -1.880421(3) -0.453264(14) -0.194072(29) -0.256502(17) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.613968(2) 0.817511(4) 0.290442(8) \n", "120.000000 |-1.301172(4) -1.788952(3) -1.530229(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -1.250237(2) -0.976462(6) -0.874965(7) -0.922152(3) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -0.644534(2) -0.664283(4) -1.301172(4) \n", "140.000000 |0.099454(5) 0.398483(3) -1.530229(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -1.599854(1) -1.599854(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -1.708712(1) -0.984280(4) 0.099454(5) \n", "160.000000 |0.253544(10) 0.540704(5) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -0.033615(5) 0.253544(10) \n", "180.000000 |-0.246123(20) 0.008253(8) -0.349099(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) -0.026890(3) -0.012213(11) -0.256726(21) -0.246123(20) \n", "\n", "\n", "Array #4 (10/50) chi/psi-1\n", "-180.000000 -160.000000 -140.000000 -120.000000 -100.000000 -80.000000 -60.000000 -40.000000 -20.000000 0.000000 20.000000 40.000000 60.000000 80.000000 100.000000 120.000000 140.000000 160.000000 180.000000 \n", "60.000000 |0.091096(34) 0.580827(12) 1.101590(7) -0.213502(4) -0.054651(3) 0.325541(2) -0.209005(17) 0.025820(55) 0.087080(62) -0.007498(32) -0.434024(13) -0.712779(6) 0.575856(10) 0.627879(10) 0.185944(19) 0.298824(55) 0.135801(88) 0.022147(77) 0.091096(34) \n", "180.000000 |-0.363811(31) 1.621386(4) 0.712820(6) -0.855605(5) -2.341446(1) 0.072148(4) -0.371623(72) -0.351843(121) -0.386206(70) -0.515339(29) -0.533372(15) -1.195928(6) -0.860898(4) -0.735912(4) -0.365832(20) -0.181743(99) -0.140228(147) -0.206115(94) -0.363811(31) \n", "300.000000 |0.602587(59) 0.734820(11) 0.705130(6) -0.311756(3) -0.864171(2) 0.231936(4) 0.234411(120) 0.168719(214) 0.059105(155) -0.050790(81) -0.160886(40) 0.106870(23) 0.760249(11) -0.115385(11) 0.453078(56) 0.445037(177) 0.345508(220) 0.404339(145) 0.602587(59) \n", "-666.000000 |-3.235543(1) -3.235543(1) 0.000000(0) 0.000000(0) 0.000000(0) 0.000000(0) 1.988597(1) 1.988597(1) 5.093494(2) 5.093494(2) 0.000000(0) 1.774428(1) 1.774428(1) 0.000000(0) 0.000000(0) -3.291676(1) -1.091372(2) 1.108932(1) -3.235543(1) \n", "-777.000000 |-0.192202(13) 0.746776(2) 0.352905(1) 0.352905(1) 0.000000(0) 0.000000(0) -0.621155(26) -0.516139(59) -0.492574(45) -0.262077(20) 0.270799(10) 0.042949(2) 0.000000(0) -0.355748(1) -0.784620(5) -0.568213(19) -0.186745(35) -0.106437(31) -0.192202(13) \n", "-888.000000 |-1.039224(14) -0.505555(4) -1.064822(1) 0.000000(0) 0.000000(0) 0.000000(0) -1.586584(11) -1.339919(34) -1.197940(45) -1.012397(43) -0.868845(26) -0.994499(7) -2.580487(3) -4.072167(3) -3.033609(4) -1.431837(23) -1.173951(34) -1.088797(24) -1.039224(14) \n", "\n", "\n", "Array #5 (54/74) psi+1/obond\n", "Y N \n", "-180.000000 |0.077819(64) 0.137699(99) \n", "-160.000000 |-0.190502(15) 0.258244(34) \n", "-140.000000 |-1.109401(6) 0.256563(12) \n", "-120.000000 |-0.202452(7) -0.131127(5) \n", "-100.000000 |0.248553(4) -0.329361(1) \n", "-80.000000 |-0.407855(5) -0.737330(10) \n", "-60.000000 |-0.042578(206) -0.585004(36) \n", "-40.000000 |0.035468(384) -0.707477(68) \n", "-20.000000 |0.097756(225) -0.473430(130) \n", "0.000000 |0.093883(56) -0.280954(151) \n", "20.000000 |0.217155(26) -0.165824(90) \n", "40.000000 |0.217573(24) 0.071684(38) \n", "60.000000 |0.129396(15) 0.621995(23) \n", "80.000000 |-0.309351(9) 0.953464(24) \n", "100.000000 |-0.110092(63) 0.660931(40) \n", "120.000000 |-0.213755(260) 0.371442(109) \n", "140.000000 |-0.184976(320) 0.362871(201) \n", "160.000000 |-0.032089(169) 0.291288(193) \n", "180.000000 |0.077819(64) 0.137699(99) \n", "\n", "\n", "Array #6 (55/84) chi+1/ssbondp1\n", "0 - 0 1 - 30000 \n", "60.000000 |0.171493(254) -2.485679(2) \n", "180.000000 |-0.020431(370) -0.893636(1) \n", "300.000000 |0.231275(624) -0.689441(16) \n", "-666.000000 |0.864763(5) 0.000000(0) \n", "-777.000000 |0.125648(154) 0.000000(0) \n", "-888.000000 |0.128304(148) 0.000000(0) \n", "\n", "\n", "Array #7 (11/50) ss/psi-1\n", "-180.000000 -160.000000 -140.000000 -120.000000 -100.000000 -80.000000 -60.000000 -40.000000 -20.000000 0.000000 20.000000 40.000000 60.000000 80.000000 100.000000 120.000000 140.000000 160.000000 180.000000 \n", "C |0.004292(67) -0.682788(33) -0.799376(15) -0.117011(6) 0.936281(1) 0.251315(5) 0.090588(21) -0.227278(73) -0.162441(147) 0.024717(149) 0.342723(94) 0.518765(51) 0.268353(27) 0.560296(21) 0.284076(32) -0.262880(86) -0.106537(142) 0.163532(122) 0.004292(67) \n", "H |-0.236563(13) -0.892626(2) 0.000000(0) 0.000000(0) 0.000000(0) -0.124980(2) -0.068559(209) -0.157796(382) -0.276062(184) -0.250378(10) -0.012626(4) -0.714337(3) -0.684067(1) -0.642057(2) -0.438906(9) -0.337922(13) 0.153093(20) 0.108257(26) -0.236563(13) \n", "B |0.356472(81) -0.102951(19) -0.414006(8) -0.917580(3) 2.044613(1) 0.081003(6) -0.297010(8) 0.516016(21) 0.331376(42) 0.281991(50) 0.470429(34) 0.938693(13) 1.537437(7) 0.188122(4) 0.150226(66) -0.059843(245) -0.104802(337) 0.096388(223) 0.356472(81) \n", "\n", "\n", "Array #8 (74/83) obond/ssp1\n", "C H B \n", "Y |0.038622(187) 0.022884(356) -0.204544(387) \n", "N |-0.106778(364) 0.433621(69) -0.253954(205) \n", "\n", "\n", "Array #9 (73/84) hnbond/ssbondp1\n", "0 - 0 1 - 30000 \n", "Y |0.052952(1200) 0.550466(13) \n", "N |-0.129041(355) 1.694725(5) \n", "\n", "\n", "Array #10 (51/80) chi-1/indexm1\n", "1 - 1 2 - 30000 \n", "60.000000 |1.146564(1) -0.066903(252) \n", "180.000000 |-0.501986(1) -0.060671(364) \n", "300.000000 |0.000000(0) 0.017000(659) \n", "-666.000000 |0.000000(0) 0.097427(10) \n", "-777.000000 |-1.415485(2) 0.199524(135) \n", "-888.000000 |-1.522035(1) 0.063868(143) \n", "END" };