1-> [TYR A 14] PHI -149.5 -64.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.5 22.7 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 22.7] 2-> [TYR A 14] PSI 83.3 170.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 - 1 [ 0.0 .. 2.1] 7-> [LYS A 17] PHI -135.2 -36.4 22.7 12.9 24.4 0.2 0.0 0.0 0.0 4.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26.7 0.0 0.0 0.0 - 6 [ 0.0 .. 26.7] 12-> [SER A 21] PSI 142.8 -177.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.3] 15-> [LEU A 23] PHI -84.3 -44.3 0.0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.7 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.7] 25-> [VAL A 28] PHI -83.8 -43.8 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 9.7 - 1 [ 0.0 .. 9.7] 27-> [ILE A 29] PHI -81.9 -41.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 20.3 - 1 [ 0.0 .. 20.3] 28-> [ILE A 29] PSI -64.6 -24.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 7.0] 36-> [TYR A 33] PSI -61.6 -21.6 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 0.6 0.0 0.0 0.0 0.0 1.1 - 2 [ 0.0 .. 1.1] 37-> [ARG A 34] PHI -83.8 -43.8 0.0 0.0 2.6 0.0 0.0 3.8 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 - 4 [ 0.0 .. 10.0] 38-> [ARG A 34] PSI -81.3 -1.3 0.0 0.0 3.8 0.0 0.0 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 - 2 [ 0.0 .. 8.0] 39-> [GLN A 35] PHI -107.2 -27.2 2.6 0.0 25.5 7.9 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.2 0.0 0.0 0.0 2.1 0.0 - 6 [ 0.0 .. 25.5] 40-> [GLN A 35] PSI -44.0 -4.0 0.0 14.6 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 14.0 0.0 0.0 - 2 [ 0.0 .. 14.6] 41-> [ILE A 36] PHI -89.7 -42.3 13.3 0.0 0.0 6.0 0.0 0.0 11.2 10.3 0.0 0.0 4.9 10.3 0.0 14.8 0.0 19.9 1.8 25.4 13.9 0.0 - 11 [ 0.0 .. 25.4] 47-> [SER A 48] PHI -103.2 -23.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 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 .. 1.6] 49-> [ILE A 49] PHI -88.0 -48.0 18.2 0.0 0.0 0.0 0.0 0.0 4.9 0.0 0.0 0.0 0.0 0.0 17.0 0.0 10.4 13.6 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 18.2] 52-> [SER A 50] PSI -59.2 -19.2 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2] 53-> [TYR A 51] PHI -87.1 -47.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.8] 60-> [SER A 54] PSI -63.8 -23.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 - 2 [ 0.0 .. 7.8] 61-> [GLN A 55] PHI -83.7 -43.7 0.0 6.2 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 0.0 0.0 0.8 0.0 - 2 [ 0.0 .. 6.2] 62-> [GLN A 55] PSI -65.0 -25.0 0.0 14.4 0.0 10.1 0.0 0.0 5.0 0.0 0.1 0.0 10.1 7.8 0.0 8.7 0.0 0.0 2.6 5.5 0.0 0.0 - 9 [ 0.0 .. 14.4] 63-> [VAL A 56] PHI -86.7 -46.7 0.0 15.5 0.0 22.6 0.0 0.0 0.0 0.0 0.0 0.0 22.2 23.8 0.0 19.4 0.0 0.0 0.0 0.9 0.0 0.0 - 6 [ 0.0 .. 23.8] 64-> [VAL A 56] PSI -62.5 -22.5 0.0 1.6 2.4 2.4 0.0 0.0 0.0 0.0 0.0 0.0 5.1 2.3 0.0 8.1 0.0 0.9 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 8.1] 65-> [ARG A 57] PHI -83.3 -43.3 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9] 76-> [LYS A 64] PSI -59.2 -19.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 - 2 [ 0.0 .. 3.6] 77-> [GLU A 65] PHI -88.3 -48.3 0.0 0.0 0.0 1.6 12.1 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 .. 12.1] 84-> [ARG A 68] PSI -67.2 -27.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.6] 87-> [LEU A 70] PHI -85.3 -45.3 0.0 0.0 3.8 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 - 1 [ 0.0 .. 3.8] 98-> [LEU A 75] PSI -58.0 -18.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 1.9] 99-> [TYR A 76] PHI -83.8 -43.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.2 0.0 0.1 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 6.2] 100-> [TYR A 76] PSI -63.9 -23.9 3.7 0.0 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 6.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 6.0] 101-> [ARG A 77] PHI -82.5 -42.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8] 102-> [ARG A 77] PSI -64.2 -24.2 0.0 4.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.3 5.4 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.4] 103-> [LYS A 78] PHI -94.3 -50.1 0.7 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 3.1 0.0 0.0 0.0 0.0 0.3 - 3 [ 0.0 .. 3.1] 104-> [LYS A 78] PSI -63.9 -11.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 8.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 8.4] 121-> [PHE A 94] PHI -83.3 -43.3 0.0 0.0 0.0 0.0 2.8 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 - 1 [ 0.0 .. 2.8] 122-> [PHE A 94] PSI -64.8 -24.8 0.0 0.0 0.0 1.6 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 - 1 [ 0.0 .. 1.6] 123-> [ARG A 95] PHI -83.0 -43.0 1.1 0.0 0.0 21.3 0.0 0.0 1.9 0.0 20.3 4.9 20.6 0.0 0.0 20.5 11.5 5.7 13.6 1.9 0.0 0.0 - 11 [ 0.0 .. 21.3] 124-> [ARG A 95] PSI -57.3 -17.3 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 18.1 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 18.1] 127-> [ILE A 97] PHI -102.1 -22.1 0.0 2.8 0.0 0.0 0.0 0.0 3.1 3.6 0.0 0.0 0.0 12.3 1.9 0.0 2.9 0.0 0.0 5.5 2.4 9.0 - 9 [ 0.0 .. 12.3] 130-> [LEU A 98] PSI -45.4 34.6 0.0 0.0 7.4 0.0 8.1 0.0 14.1 14.8 12.8 7.2 0.0 0.0 0.0 1.7 3.7 0.0 10.3 0.5 0.0 0.0 - 10 [ 0.0 .. 14.8] 143-> [TYR A 111] PHI -94.2 -34.2 0.0 2.8 0.0 12.4 0.1 0.0 0.0 0.0 0.0 0.0 10.6 0.0 0.0 0.0 0.0 3.9 0.4 0.0 1.5 0.0 - 7 [ 0.0 .. 12.4] 144-> [TYR A 111] PSI -59.2 -19.2 8.8 7.3 6.1 14.2 8.5 0.0 0.0 7.3 0.0 0.0 13.7 7.0 3.1 0.0 7.9 8.8 7.0 11.3 7.2 0.0 - 14 [ 0.0 .. 14.2] 149-> [ILE A 114] PHI -85.1 -45.1 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 4.2 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.2] 153-> [SER A 116] PHI -84.7 -44.7 1.2 0.0 3.3 0.4 0.0 0.6 0.0 0.0 3.7 2.4 0.0 1.0 0.0 4.0 2.3 5.0 0.0 0.0 5.8 0.0 - 11 [ 0.0 .. 5.8] 154-> [SER A 116] PSI -53.8 -13.6 1.1 0.0 0.0 0.0 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 - 2 [ 0.0 .. 1.5] 155-> [SER A 117] PHI -107.2 -54.0 0.0 0.0 7.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.9 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.9] 156-> [SER A 117] PSI -63.5 26.1 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4] 169-> [LEU A 127] PHI -87.5 -47.5 0.0 0.0 1.1 9.3 0.0 12.6 0.0 0.0 0.0 2.7 0.0 7.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 12.6] 171-> [VAL A 128] PHI -84.4 -44.4 0.0 0.0 0.0 0.0 0.0 15.0 0.0 0.0 15.3 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 15.3] 172-> [VAL A 128] PSI -61.7 -21.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.1 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 .. 8.1] 175-> [GLN A 131] PHI -79.6 -39.6 0.0 0.0 11.5 5.4 0.0 0.0 0.0 0.0 0.0 0.0 4.3 9.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 11.5] 176-> [GLN A 131] PSI -54.3 -12.1 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.5 - 3 [ 0.0 .. 5.3] 179-> [TYR A 133] PHI -81.8 -41.8 0.0 20.1 0.0 18.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 20.1] 180-> [TYR A 133] PSI -63.0 -23.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.9] 182-> [ALA A 134] PSI -63.9 -23.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.1] 183-> [ASP A 135] PHI -82.4 -42.4 0.0 0.0 9.6 0.0 0.0 8.4 0.0 10.9 17.6 10.4 0.0 10.3 0.0 0.0 10.1 5.8 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 17.6] 184-> [ASP A 135] PSI -61.6 -21.6 0.0 0.0 8.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 30.2] 187-> [PHE A 137] PHI -151.6 -52.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.4] 188-> [PHE A 137] PSI -40.7 37.5 0.0 0.0 0.0 5.8 0.0 14.3 13.1 6.6 7.3 6.8 0.6 34.5 2.3 19.6 11.1 11.5 0.0 0.0 0.0 7.1 - 13 [ 0.0 .. 34.5] 192-> [GLU A 140] PSI -47.7 9.7 0.0 0.0 0.0 0.0 0.0 0.0 6.3 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 .. 6.3] 193-> [THR A 141] PHI -96.3 -45.1 10.7 0.0 10.0 0.0 0.0 0.0 13.9 0.0 2.8 9.3 15.7 0.0 0.0 0.0 0.0 14.3 0.0 1.4 21.3 0.0 - 9 [ 0.0 .. 21.3] 194-> [THR A 141] PSI 110.8 159.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 0.0 0.0 0.0 15.9 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 15.9] ---- 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 : 6 7 16 9 3 3 5 4 6 9 7 12 6 5 9 10 3 6 6 6 6.90 > 10. degrees : 4 5 3 6 1 4 4 3 5 1 6 6 1 5 5 5 3 3 2 1 3.65 Total : 12 13 19 18 5 8 9 7 12 11 14 22 7 10 16 17 7 11 9 8 11.75 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 : 22.7 20.1 25.5 22.6 12.1 15.0 14.1 14.8 20.3 10.4 22.2 34.5 17.0 22.7 12.2 19.9 26.7 25.4 21.3 20.3 34.47 Max PHI Viol : 22.7 20.1 25.5 22.6 12.1 15.0 13.9 10.9 20.3 10.4 22.2 23.8 17.0 22.7 12.2 19.9 26.7 25.4 21.3 20.3 26.72 Max PSI Viol : 8.8 14.6 8.5 14.2 8.5 14.3 14.1 14.8 18.1 8.4 13.7 34.5 7.0 19.6 11.1 15.9 10.3 14.0 7.2 7.1 34.47 Average Violation : 0.4 0.5 0.7 0.7 0.2 0.4 0.4 0.3 0.6 0.3 0.6 0.9 0.2 0.6 0.5 0.7 0.3 0.4 0.3 0.3 0.465 Avge PHI Viol : 0.848 0.815 1.018 1.039 0.391 0.718 0.599 0.550 0.792 0.577 0.902 0.911 0.559 0.912 0.798 0.927 0.659 0.598 0.767 0.634 0.770 Avge PSI Viol : 0.373 0.655 0.631 0.614 0.411 0.477 0.627 0.541 0.707 0.516 0.630 1.007 0.356 0.658 0.570 0.680 0.451 0.614 0.271 0.369 0.581 RMS Violation : 2.514 2.651 3.112 3.224 1.220 2.070 2.012 1.714 2.855 1.468 2.929 4.166 1.475 3.270 2.029 2.756 2.330 2.315 2.074 1.825 2.504 RMS PHI Viol : 3.419 3.002 4.120 4.149 1.254 2.414 1.910 1.630 3.163 1.570 3.670 3.355 1.923 3.976 2.407 3.175 3.033 2.633 2.841 2.447 2.927 RMS PSI Viol : 0.974 2.246 1.546 1.890 1.184 1.658 2.110 1.795 2.510 1.359 1.919 4.843 0.807 2.361 1.561 2.260 1.287 1.945 0.730 0.822 1.993 Final --global-- Summary for 20 models, 196 ACOs/model, 3920 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 1821.85 Summ. Sq. Viol. : 24583.68 Max. Viol. : 34.470 Avg. Viol. : 0.46476 RMS Viol. : 2.50427 Std. Dev. Viol. : 2.46076