1-> [LEU A 7] PHI -77.0 -53.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.3 0.0 0.0 - 2 [ 0.0 .. 1.1] 2-> [LEU A 7] PSI -53.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.9] 5-> [MET A 9] PHI -77.0 -55.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.4] 34-> [ARG A 23] PSI -49.0 -29.0 0.0 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 3.9 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 4.5] 38-> [GLN A 25] PSI -53.0 -27.0 0.0 0.0 0.0 0.3 0.0 0.0 22.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 22.4] 41-> [ALA A 43] PHI -84.0 -56.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.8 0.0 0.0 13.5 0.0 0.0 0.0 7.8 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 13.5] 42-> [ALA A 43] PSI -59.0 -11.0 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 2.4 - 1 [ 0.0 .. 2.4] 43-> [VAL A 44] PHI -71.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.6 21.2 0.0 0.0 8.9 0.2 4.0 1.4 14.6 2.0 - 9 [ 0.0 .. 21.2] 44-> [VAL A 44] PSI -57.0 -35.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 2.4 0.0 2.8 0.0 2.9 0.0 0.0 8.8 0.0 0.0 0.0 27.5 11.2 - 7 [ 0.0 .. 27.5] 45-> [GLU A 45] PHI -75.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.5 0.0 0.0 0.0 0.0 22.8 0.0 25.5 0.0 - 3 [ 0.0 .. 25.5] 46-> [GLU A 45] PSI -51.0 -31.0 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 8.5 0.0 - 2 [ 0.0 .. 9.1] 47-> [GLU A 46] PHI -75.0 -55.0 4.7 0.1 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 2.3 22.6 1.3 - 5 [ 0.0 .. 22.6] 49-> [ASN A 47] PHI -85.0 -53.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 5.8 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 16.0] 50-> [ASN A 47] PSI -51.0 -25.0 15.1 4.7 1.6 14.6 6.5 15.0 4.7 10.6 15.4 0.0 13.3 43.1 16.7 0.0 20.0 0.0 0.0 12.5 0.0 3.2 - 16 [ 0.0 .. 43.1] 56-> [LEU A 50] PSI -53.0 -33.0 0.7 3.7 3.2 0.1 0.0 0.0 2.3 3.6 2.6 1.7 2.8 2.2 0.0 0.9 1.2 4.3 0.0 2.1 0.7 2.4 - 16 [ 0.0 .. 4.3] 62-> [ARG A 53] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 3.9 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 - 1 [ 0.0 .. 3.9] 69-> [ALA A 58] PHI -77.0 -53.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7] 70-> [ALA A 58] PSI -53.0 -29.0 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 2.5 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.5] 71-> [LEU A 59] PHI -71.0 -51.0 0.0 0.0 0.6 0.0 0.0 5.8 0.0 0.0 0.0 4.4 0.5 0.0 0.0 3.9 18.4 0.0 4.4 0.0 3.2 0.0 - 8 [ 0.0 .. 18.4] 72-> [LEU A 59] PSI -51.0 -21.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.7 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 16.7] 73-> [GLU A 60] PHI -75.0 -49.0 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 13.7 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 13.7] 75-> [LEU A 61] PHI -75.0 -55.0 0.0 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 0.4 0.0 0.0 0.0 - 3 [ 0.0 .. 6.2] 76-> [LEU A 61] PSI -53.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 - 2 [ 0.0 .. 3.8] 77-> [LYS A 63] PHI -81.0 -55.0 0.0 0.0 0.0 0.0 18.2 6.8 0.0 0.0 0.0 0.0 4.5 1.2 5.1 0.0 11.7 3.6 13.5 0.0 6.4 4.8 - 10 [ 0.0 .. 18.2] 78-> [LYS A 63] PSI -49.0 -21.0 3.7 0.0 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 0.0 12.4 0.0 0.0 0.0 - 3 [ 0.0 .. 12.4] 83-> [GLN A 74] PHI -71.0 -51.0 0.0 0.0 0.0 0.0 0.0 3.9 0.0 3.5 10.5 0.0 0.0 9.0 0.0 4.3 0.6 5.1 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 10.5] 90-> [VAL A 78] PSI -57.0 -35.0 0.0 0.0 0.0 0.0 1.7 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 5.6 0.0 - 3 [ 0.0 .. 5.6] 91-> [LYS A 79] PHI -71.0 -51.0 0.0 0.0 0.7 0.0 1.1 0.0 1.1 3.2 0.7 0.0 0.9 1.0 0.0 0.0 0.0 0.0 0.7 0.0 4.0 0.0 - 9 [ 0.0 .. 4.0] 93-> [ASP A 80] PHI -77.0 -51.0 0.0 0.0 4.8 0.0 2.9 0.0 10.8 5.4 6.1 2.1 21.2 2.3 0.7 4.9 0.0 0.0 19.2 3.3 25.9 0.0 - 13 [ 0.0 .. 25.9] 94-> [ASP A 80] PSI -53.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 - 2 [ 0.0 .. 3.8] 96-> [ASN A 81] PSI -49.0 -25.0 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 7.8 0.0 0.0 - 1 [ 0.0 .. 7.8] 98-> [PHE A 82] PSI -55.0 -33.0 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 1.8 0.0 1.2 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.8] 99-> [LEU A 83] PHI -73.0 -51.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 12.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 - 3 [ 0.0 .. 12.1] 100-> [LEU A 83] PSI -49.0 -27.0 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 0.0 0.0 7.1 1.8 0.0 0.0 - 3 [ 0.0 .. 7.1] 102-> [GLU A 84] PSI -55.0 -31.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 11.2 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 .. 11.2] 104-> [LEU A 85] PSI -53.0 -29.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 5.4 0.0 0.4 0.0 1.2 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 - 5 [ 0.0 .. 5.4] 105-> [VAL A 86] PHI -73.0 -53.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 0.0 3.1 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 0.0 - 3 [ 0.0 .. 3.1] 106-> [VAL A 86] PSI -57.0 -35.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.6 0.0 0.0 0.0 0.0 11.2 0.0 0.0 0.0 - 2 [ 0.0 .. 12.6] 107-> [LEU A 87] PHI -69.0 -47.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.5 - 4 [ 0.0 .. 2.7] 110-> [SER A 89] PSI -59.0 -13.0 0.0 0.0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 4.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.9] 111-> [TYR A 90] PHI -110.0 -58.0 6.0 6.9 1.7 0.0 12.2 10.3 0.0 0.0 0.0 7.2 2.4 0.0 3.8 0.0 2.0 0.0 2.8 0.0 11.4 11.4 - 13 [ 0.0 .. 12.2] 113-> [LYS A 97] PHI -72.0 -52.0 0.0 0.3 3.1 0.0 33.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.5 0.0 0.0 0.0 0.0 2.0 0.0 - 6 [ 0.0 .. 33.0] 114-> [LYS A 97] PSI -57.0 -29.0 0.0 0.0 0.0 0.4 48.4 0.0 7.9 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 48.4] 115-> [ARG A 98] PHI -79.0 -53.0 0.0 11.0 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 - 1 [ 0.0 .. 11.0] 119-> [LYS A 100] PHI -73.0 -53.0 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 0.0 1.7 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.7] 125-> [THR A 103] PHI -77.0 -55.0 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 1.8 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8] 129-> [SER A 105] PHI -75.0 -55.0 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 11.6 0.0 10.2 0.0 16.9 - 3 [ 0.0 .. 16.9] 130-> [SER A 105] PSI -49.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.3 0.2 0.0 0.0 7.4 0.0 8.3 7.2 10.8 0.0 3.8 - 8 [ 0.0 .. 10.8] 131-> [VAL A 106] PHI -75.0 -51.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.2 4.4 1.4 0.0 0.0 12.8 29.1 38.0 12.2 35.1 0.0 31.3 - 10 [ 0.0 .. 38.0] 132-> [VAL A 106] PSI -57.0 -35.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 3.2 9.0 14.7 3.4 13.2 0.0 10.9 - 7 [ 0.0 .. 14.7] 140-> [LEU A 110] PSI -53.0 -33.0 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 8.7 0.0 0.0 0.0 0.4 - 2 [ 0.0 .. 8.7] 141-> [HIS A 111] PHI -71.0 -51.0 3.3 3.8 0.0 0.0 3.6 0.0 3.7 0.0 3.9 3.3 4.4 0.0 4.8 0.6 0.0 4.0 0.0 2.1 1.7 7.0 - 13 [ 0.0 .. 7.0] 142-> [HIS A 111] PSI -55.0 -29.0 2.9 0.1 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 9.5 0.0 0.0 0.6 0.0 - 6 [ 0.0 .. 9.5] 143-> [ALA A 112] PHI -73.0 -53.0 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 19.8 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 19.8] 146-> [VAL A 113] PSI -53.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 - 2 [ 0.0 .. 10.1] 151-> [GLU A 116] PHI -81.0 -55.0 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 0.0 0.0 0.0 0.0 6.6 - 2 [ 0.0 .. 6.6] 152-> [GLU A 116] PSI -53.0 -27.0 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 21.9 0.0 0.0 7.0 - 2 [ 0.0 .. 21.9] 153-> [ILE A 117] PHI -91.0 -47.0 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 8.8 0.0 0.0 0.0 - 1 [ 0.0 .. 8.8] 154-> [ILE A 117] PSI -53.0 -31.0 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 2.0 1.7 0.0 0.0 - 2 [ 0.0 .. 2.0] ---- 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 4 9 0 8 6 5 7 8 9 8 8 8 7 8 9 10 9 7 10 7.30 > 10. degrees : 1 1 0 1 4 2 2 2 5 0 3 6 1 1 6 4 7 5 6 5 3.10 Total : 9 9 12 7 14 8 10 11 16 13 15 18 12 12 17 17 22 17 16 19 13.70 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 : 15.1 11.0 6.2 14.6 48.4 15.0 22.4 10.6 15.4 7.2 21.2 43.1 16.7 12.8 29.1 38.0 22.8 35.1 27.5 31.3 48.38 Max PHI Viol : 6.0 11.0 6.2 0.4 33.0 10.3 10.8 5.4 12.2 7.2 21.2 21.2 6.4 12.8 29.1 38.0 22.8 35.1 25.9 31.3 37.97 Max PSI Viol : 15.1 4.7 5.9 14.6 48.4 15.0 22.4 10.6 15.4 3.9 13.3 43.1 16.7 7.4 20.0 14.7 21.9 13.2 27.5 11.2 48.38 Average Violation : 0.2 0.2 0.2 0.1 0.8 0.3 0.3 0.3 0.5 0.2 0.4 0.8 0.3 0.2 0.9 0.8 1.0 0.6 0.9 0.7 0.488 Avge PHI Viol : 0.431 0.504 0.458 0.066 0.888 0.543 0.423 0.366 0.760 0.538 0.761 0.946 0.499 0.572 1.005 1.003 0.997 0.803 1.135 0.948 0.735 Avge PSI Viol : 0.525 0.318 0.387 0.428 0.876 0.600 0.670 0.655 0.689 0.337 0.512 0.859 0.596 0.398 0.838 0.750 0.961 0.777 0.716 0.717 0.657 RMS Violation : 1.369 1.123 0.861 1.104 4.784 1.736 2.037 1.368 2.267 0.945 2.260 4.270 1.613 1.298 3.758 3.822 3.631 3.285 4.218 3.252 2.754 RMS PHI Viol : 0.924 1.426 0.929 0.037 4.184 1.488 1.207 0.751 2.330 1.197 2.759 3.576 1.083 1.577 4.230 4.786 3.839 3.882 4.972 4.085 2.902 RMS PSI Viol : 1.726 0.651 0.780 1.593 5.358 1.971 2.658 1.813 2.196 0.556 1.549 4.912 2.037 0.903 3.168 2.370 3.390 2.482 3.207 1.988 2.585 Final --global-- Summary for 20 models, 175 ACOs/model, 3500 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 1709.22 Summ. Sq. Viol. : 26555.10 Max. Viol. : 48.383 Avg. Viol. : 0.48835 RMS Viol. : 2.75448 Std. Dev. Viol. : 2.71085