16-> [ALA A 10] PSI -62.8 -22.8 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7] 17-> [GLN A 11] PHI -81.2 -41.2 0.0 0.0 3.8 9.8 0.0 0.0 0.0 0.0 3.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 9.8] 19-> [LYS A 12] PHI -84.3 -44.3 0.0 0.6 1.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 2.0 12.5 0.0 0.3 9.8 0.0 2.5 12.4 10.4 0.0 - 10 [ 0.0 .. 12.5] 21-> [LYS A 13] PHI -87.3 -47.3 0.0 12.8 12.7 17.7 12.7 10.7 0.0 0.0 15.5 12.9 0.0 0.0 0.0 12.7 0.0 9.4 0.0 0.0 0.0 12.4 - 10 [ 0.0 .. 17.7] 22-> [LYS A 13] PSI -52.8 -12.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5] 23-> [TYR A 14] PHI -144.7 -84.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.1 0.0 - 1 [ 0.0 .. 9.1] 25-> [THR A 16] PHI -139.9 -79.9 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.3] 26-> [THR A 16] PSI 109.7 169.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 12.2 0.0 0.0 - 2 [ 0.0 .. 12.2] 27-> [LYS A 17] PHI -142.7 -82.7 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 18.3 10.2 0.0 0.0 0.0 0.0 0.0 5.1 0.0 - 5 [ 0.0 .. 18.3] 28-> [LYS A 17] PSI 95.4 155.4 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 5.8 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 2.2 0.0 0.0 - 4 [ 0.0 .. 5.8] 30-> [PRO A 18] PSI 114.1 174.1 0.0 0.0 0.0 0.0 0.0 1.7 0.0 5.1 0.0 0.0 0.0 0.0 3.4 4.4 0.0 0.0 0.0 0.0 0.0 3.8 - 5 [ 0.0 .. 5.1] 31-> [ASP A 19] PHI -161.9 -101.9 10.5 0.0 0.0 8.8 14.4 14.1 0.0 16.6 0.0 11.0 15.2 0.0 23.6 17.3 0.0 11.8 16.8 0.0 0.0 9.3 - 12 [ 0.0 .. 23.6] 32-> [ASP A 19] PSI 122.2 -177.8 0.0 24.2 28.0 18.6 0.0 0.0 0.0 16.6 26.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 28.0] 33-> [HIS A 20] PHI -146.5 -86.5 0.0 2.0 21.3 5.3 0.0 0.0 0.0 8.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 21.3] 34-> [HIS A 20] PSI 87.7 147.7 17.4 0.0 0.0 0.0 20.2 14.9 13.5 0.0 0.0 17.6 19.8 17.2 21.1 16.9 21.8 18.1 12.7 17.7 17.4 13.1 - 15 [ 0.0 .. 21.8] 36-> [TRP A 22] PSI 76.5 136.5 0.0 0.0 8.4 1.5 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 8.4] 37-> [GLU A 23] PHI -94.7 -34.7 0.0 0.0 0.0 0.0 0.0 0.0 8.9 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 7.5 0.0 8.3 5.5 0.0 - 6 [ 0.0 .. 8.9] 38-> [GLU A 23] PSI -67.5 -7.5 0.0 0.0 18.4 0.0 0.0 0.0 0.0 0.0 17.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 18.4] 45-> [TYR A 28] PHI -132.1 -72.1 0.0 0.0 0.0 2.1 3.4 4.7 0.0 4.5 0.0 1.6 2.0 0.0 3.0 0.0 0.1 0.0 0.0 4.4 4.2 0.0 - 10 [ 0.0 .. 4.7] 47-> [ALA A 29] PHI -159.1 -99.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.7 0.0 0.0 2.5 0.0 0.0 0.0 0.0 0.0 5.6 - 3 [ 0.0 .. 8.7] 48-> [ALA A 29] PSI 114.8 174.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.5 - 1 [ 0.0 .. 11.5] 49-> [VAL A 30] PHI -151.8 -91.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.4 - 1 [ 0.0 .. 6.4] 52-> [PHE A 31] PSI 96.4 156.4 0.0 0.0 2.7 0.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 0.0 0.0 21.4 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 21.4] 53-> [ARG A 32] PHI -159.0 -99.0 6.5 0.0 0.0 1.1 1.0 0.0 0.8 0.0 0.0 0.0 0.0 5.9 1.0 20.0 0.0 0.0 0.8 4.5 0.0 0.0 - 9 [ 0.0 .. 20.0] 54-> [ARG A 32] PSI 132.2 -167.8 0.0 0.0 35.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.4 0.0 12.1 0.0 0.0 0.0 2.5 - 5 [ 0.0 .. 35.9] 55-> [HIS A 33] PHI -99.4 -39.4 0.1 0.0 5.6 0.0 0.0 0.0 3.0 0.0 0.0 9.8 10.5 0.7 0.0 0.0 46.2 27.1 0.0 9.8 35.6 0.0 - 10 [ 0.0 .. 46.2] 56-> [HIS A 33] PSI 110.2 170.2 37.4 0.0 45.0 0.0 0.0 0.0 0.0 0.0 0.0 21.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 30.3 0.0 - 5 [ 0.0 .. 45.0] 59-> [ASP A 35] PHI -109.2 -49.2 0.0 0.9 0.0 0.0 0.0 22.5 0.0 34.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 34.2] 60-> [ASP A 35] PSI -43.4 16.6 0.0 0.0 0.0 2.3 0.0 0.0 0.0 8.4 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 2.4 0.0 - 4 [ 0.0 .. 8.4] 61-> [ASN A 36] PHI -121.8 -61.8 0.0 0.0 0.0 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 13.9 0.0 0.0 3.9 0.0 5.3 - 5 [ 0.0 .. 13.9] 62-> [ASN A 36] PSI -30.0 30.0 0.0 40.6 0.3 0.0 0.0 43.7 10.8 0.0 0.0 0.0 0.0 1.5 0.0 0.0 11.1 0.0 0.0 0.0 9.4 0.0 - 7 [ 0.0 .. 43.7] 63-> [TYR A 40] PHI -158.3 -98.3 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.1 0.0 0.0 3.0 0.0 0.0 7.8 8.0 6.8 0.0 - 6 [ 0.0 .. 8.0] 64-> [TYR A 40] PSI 126.4 -173.6 0.0 40.7 8.8 9.8 36.4 0.0 34.2 1.1 0.0 0.0 17.5 0.0 6.4 21.0 24.9 14.8 0.0 26.7 16.9 0.0 - 13 [ 0.0 .. 40.7] 65-> [ALA A 41] PHI -150.3 -90.3 11.1 12.3 8.4 0.0 0.0 0.0 0.0 4.8 1.4 4.8 0.0 0.0 0.0 0.0 0.0 4.7 4.6 0.0 0.4 0.0 - 9 [ 0.0 .. 12.3] 66-> [ALA A 41] PSI 105.9 165.9 0.0 0.0 0.0 0.0 0.0 0.0 21.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21.4 0.0 0.0 0.0 0.0 3.6 - 3 [ 0.0 .. 21.4] 67-> [LEU A 42] PHI -160.1 -100.1 0.0 0.0 0.0 0.0 0.0 0.0 11.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 11.3] 68-> [LEU A 42] PSI 94.9 154.9 0.0 0.0 0.0 0.0 0.0 10.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.2] 74-> [ASP A 45] PSI 114.4 174.4 18.8 8.6 16.4 3.5 10.5 0.0 4.4 7.6 19.7 0.0 14.6 6.9 3.2 0.0 13.2 10.9 0.0 1.3 10.4 3.1 - 16 [ 0.0 .. 19.7] 76-> [ILE A 46] PSI 82.0 142.0 23.1 0.0 20.3 0.0 18.9 0.0 18.1 17.8 17.3 18.3 18.4 18.0 16.5 13.9 18.6 19.8 14.9 17.1 19.9 14.0 - 17 [ 0.0 .. 23.1] 80-> [ALA A 48] PSI -61.2 -21.2 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 10.1 0.0 0.0 6.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 10.1] 82-> [GLU A 49] PSI -55.0 -15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7] 83-> [LYS A 50] PHI -84.6 -44.6 0.0 10.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 8.4 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 10.4] 84-> [LYS A 50] PSI -47.7 -7.7 0.0 8.4 0.0 3.4 0.0 0.0 0.3 0.0 0.0 8.4 1.3 8.6 0.0 0.0 3.1 0.0 0.0 0.0 0.0 10.0 - 8 [ 0.0 .. 10.0] 93-> [ASP A 60] PHI -149.5 -89.5 19.4 15.3 11.3 18.6 12.3 0.6 1.4 8.8 3.4 0.0 3.2 3.6 0.0 19.6 4.5 14.2 0.0 0.0 12.4 0.0 - 15 [ 0.0 .. 19.6] 98-> [ILE A 62] PSI 128.5 -171.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9] 101-> [LYS A 65] PHI -142.4 -82.4 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 5.7 0.0 0.0 5.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.7] 109-> [LEU A 70] PHI -112.3 -72.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7] 110-> [LEU A 70] PSI -28.8 11.2 0.0 0.0 3.1 2.6 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 - 4 [ 0.0 .. 4.4] 112-> [VAL A 71] PSI -66.2 -26.2 0.0 0.0 5.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 - 2 [ 0.0 .. 5.7] 115-> [SER A 73] PHI -85.5 -45.5 0.0 0.0 14.6 3.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 14.6] 117-> [LEU A 74] PHI -84.8 -44.8 0.0 3.3 0.0 0.0 0.2 0.0 0.0 0.8 0.7 10.9 16.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 16.1] 118-> [LEU A 74] PSI -64.1 -24.1 6.2 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.2] 121-> [LYS A 76] PHI -109.7 -69.7 0.0 0.0 0.0 0.0 0.0 1.8 0.0 3.9 3.1 0.0 0.0 4.3 0.0 0.0 0.0 3.2 0.0 0.1 19.7 0.0 - 7 [ 0.0 .. 19.7] 122-> [LYS A 76] PSI -31.0 9.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.0 4.8 3.6 0.9 0.0 0.0 7.4 0.0 - 6 [ 0.0 .. 7.4] 127-> [ILE A 80] PHI -123.7 -63.7 0.0 0.0 4.9 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.3 0.0 2.8 1.4 0.0 3.1 0.0 5.2 5.8 0.3 - 9 [ 0.0 .. 5.8] 129-> [TYR A 81] PHI -123.5 -63.5 23.7 6.5 11.9 14.0 4.2 10.8 0.0 0.0 14.4 6.0 9.5 9.7 11.1 5.1 9.1 5.2 0.0 8.5 10.2 0.0 - 16 [ 0.0 .. 23.7] 130-> [TYR A 81] PSI 97.6 157.6 0.0 0.0 7.4 0.0 0.6 7.2 5.5 3.6 8.0 3.0 7.3 0.0 7.5 2.5 11.9 0.0 6.5 9.2 0.7 4.3 - 15 [ 0.0 .. 11.9] 133-> [TRP A 91] PHI -155.2 -95.2 0.0 10.8 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 11.9 0.0 0.0 3.5 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 11.9] 141-> [LEU A 95] PHI -144.8 -84.8 10.1 8.8 3.4 5.9 4.0 4.4 0.0 2.7 2.8 2.9 0.0 7.1 7.6 5.6 2.8 0.9 3.7 0.2 3.1 1.2 - 18 [ 0.0 .. 10.1] 166-> [PHE A 113] PSI -63.2 -23.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.7] 169-> [LEU A 115] PHI -85.2 -45.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.7 0.0 15.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.9 0.0 - 3 [ 0.0 .. 15.3] 170-> [LEU A 115] PSI -54.3 -14.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.4 0.0 23.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 - 3 [ 0.0 .. 23.7] 171-> [THR A 116] PHI -129.4 -89.4 0.0 0.0 0.0 3.0 0.0 0.0 0.0 8.5 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 8.5] 172-> [THR A 116] PSI -26.3 13.7 0.0 0.0 0.0 0.0 0.0 27.5 0.0 0.0 0.0 29.8 6.5 0.0 0.0 0.0 18.2 24.9 0.0 5.0 3.3 21.4 - 8 [ 0.0 .. 29.8] ---- ACOSummary Of Residual ACO Constraint Violations ---- Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~ 1 - 10. degrees : 2 7 12 17 6 6 8 17 11 10 8 10 10 11 11 7 5 13 14 10 9.75 > 10. degrees : 9 8 11 4 7 8 6 4 6 8 10 4 5 9 10 9 3 5 10 6 7.10 Total : 13 18 24 23 15 15 16 24 19 18 21 16 17 21 23 18 10 22 26 17 18.80 Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00 Maximum Violation : 37.4 40.7 45.0 18.6 36.4 43.7 34.2 34.2 26.0 29.8 23.7 18.3 23.6 21.4 46.2 27.1 16.8 26.7 35.6 21.4 46.20 Max PHI Viol : 23.7 15.3 21.3 18.6 14.4 22.5 11.3 34.2 15.5 12.9 16.1 18.3 23.6 20.0 46.2 27.1 16.8 12.4 35.6 12.4 46.20 Max PSI Viol : 37.4 40.7 45.0 18.6 36.4 43.7 34.2 17.8 26.0 29.8 23.7 18.0 21.1 21.4 24.9 24.9 14.9 26.7 30.3 21.4 44.96 Average Violation : 1.1 1.2 1.7 0.9 0.8 1.0 0.8 1.0 0.9 1.0 1.2 0.7 0.8 1.1 1.4 1.1 0.4 0.9 1.5 0.7 1.026 Avge PHI Viol : 0.973 0.986 1.073 1.076 0.779 0.918 0.604 1.047 0.806 0.889 1.050 0.906 0.869 1.049 1.057 1.035 0.649 0.871 1.259 0.686 0.943 Avge PSI Viol : 1.093 1.209 1.526 0.752 1.039 1.106 1.121 0.931 1.100 1.126 1.126 0.819 0.905 1.080 1.335 1.087 0.630 1.044 1.196 1.008 1.079 RMS Violation : 4.782 5.366 6.203 3.146 4.032 4.843 3.836 3.853 3.727 4.029 4.226 2.993 3.237 4.159 5.541 4.277 2.170 3.514 5.124 2.918 4.212 RMS PHI Viol : 3.906 3.252 3.813 3.735 2.567 3.394 1.644 4.490 2.498 2.644 3.675 2.999 3.219 3.950 5.467 3.917 2.113 2.494 5.206 1.993 3.493 RMS PSI Viol : 5.521 6.857 7.900 2.418 5.092 5.949 5.170 3.088 4.641 5.047 4.713 2.988 3.254 4.357 5.614 4.609 2.226 4.299 5.040 3.613 4.826 Final --global-- Summary for 20 models, 172 ACOs/model, 3440 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 3530.85 Summ. Sq. Viol. : 61034.40 Max. Viol. : 46.202 Avg. Viol. : 1.02641 RMS Viol. : 4.21219 Std. Dev. Viol. : 4.08522