22-> [ALA A 9] PSI -55.0 -29.0 0.4 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.7 0.0 0.0 - 4 [ 0.0 .. 2.3] 24-> [LEU A 10] PSI -51.0 -29.0 1.0 0.0 0.0 0.0 1.1 0.0 0.0 1.0 1.3 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.3 1.3 0.6 - 9 [ 0.0 .. 1.8] 25-> [TRP A 11] PHI -85.0 -49.0 0.2 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 1.5 0.7 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.5] 30-> [ARG A 13] PSI -59.0 -29.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.5 0.0 0.0 2.6 0.0 0.0 - 4 [ 0.0 .. 2.6] 34-> [LEU A 15] PSI -49.0 -27.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.2 0.0 0.0 - 3 [ 0.0 .. 1.2] 36-> [THR A 16] PSI -57.0 -27.0 0.0 1.4 0.0 1.2 0.0 0.0 1.7 0.8 0.4 1.3 1.7 1.2 0.0 0.0 0.0 0.0 0.9 2.1 0.2 0.0 - 11 [ 0.0 .. 2.1] 50-> [VAL A 22] PSI 155.0 -145.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0] 66-> [ASP A 29] PSI -51.0 -31.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 2.7] 72-> [LYS A 32] PSI -61.0 -21.0 0.0 0.4 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1] 73-> [ARG A 33] PHI -80.0 -48.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.4 0.0 0.0 1.6 0.0 1.7 0.0 0.2 0.0 0.8 1.5 0.0 - 8 [ 0.0 .. 1.7] 74-> [ARG A 33] PSI -44.0 -20.0 1.1 2.4 1.7 3.3 0.3 2.2 2.5 2.2 2.6 0.1 2.1 2.6 0.0 4.3 1.6 3.2 3.5 1.9 2.3 0.5 - 19 [ 0.0 .. 4.3] 104-> [PRO A 45] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 2.6 0.0 0.0 - 3 [ 0.0 .. 3.1] 132-> [PRO A 55] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 1.4 0.0 0.1 0.0 3.0 0.0 0.0 0.0 0.0 0.0 1.6 0.3 0.0 - 6 [ 0.0 .. 3.0] 136-> [VAL A 56] PSI 75.0 35.0 0.0 0.0 0.0 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 0.0 0.0 - 1 [ 0.0 .. 1.1] 140-> [ILE A 58] PHI -81.0 -53.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 1.6 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.6] 145-> [GLU A 60] PSI -53.0 -31.0 1.7 3.0 1.1 2.8 2.8 3.4 0.0 1.6 2.4 1.1 0.1 0.7 1.9 1.8 0.6 0.0 0.9 2.1 1.8 1.9 - 18 [ 0.0 .. 3.4] 147-> [LEU A 61] PSI -57.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.4 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.9] 160-> [PRO A 66] PSI 45.0 15.0 0.0 2.1 0.0 1.7 1.1 1.2 0.0 1.7 1.5 1.9 0.0 0.0 0.0 1.7 0.0 0.4 0.0 2.8 3.7 2.1 - 12 [ 0.0 .. 3.7] 189-> [ASP A 76] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.3 1.3 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.4] 194-> [GLU A 78] PHI -77.0 -53.0 0.1 1.0 0.0 0.0 0.0 0.0 1.0 2.7 0.0 0.0 0.5 0.0 1.7 0.1 0.0 0.0 0.0 0.0 0.3 0.0 - 8 [ 0.0 .. 2.7] 195-> [GLU A 78] PSI -53.0 -33.0 0.8 0.0 0.0 1.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 1.8 0.0 0.1 - 6 [ 0.0 .. 1.8] 197-> [GLN A 79] PSI -51.0 -25.0 0.0 0.3 0.7 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.6] 198-> [SER A 80] PHI -79.0 -51.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4] 207-> [GLY A 84] PSI -51.0 -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 0.7 0.0 1.1 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1] 237-> [LEU A 96] PHI -117.0 -93.0 1.9 1.8 2.0 1.1 0.0 1.9 1.1 1.3 1.7 0.7 1.5 1.7 1.8 1.6 2.0 2.5 2.1 1.0 2.5 1.5 - 19 [ 0.0 .. 2.5] 238-> [LEU A 96] PSI 125.0 159.0 0.2 0.0 0.0 0.0 0.2 0.6 0.8 0.0 1.1 0.4 0.5 0.9 0.7 0.0 1.3 0.7 1.3 0.3 0.9 0.6 - 15 [ 0.0 .. 1.3] 246-> [THR A 99] PSI 125.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 - 1 [ 0.0 .. 3.2] 254-> [LYS A 102] PSI 145.0 -125.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.9 0.8 0.2 0.0 - 7 [ 0.0 .. 2.7] 290-> [LEU A 117] 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 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] 295-> [LEU A 119] PSI -49.0 -35.0 1.7 0.7 0.0 0.0 0.8 0.5 0.0 2.3 1.8 0.6 1.6 0.8 0.9 0.0 1.1 0.7 0.2 0.8 0.7 0.9 - 16 [ 0.0 .. 2.3] 301-> [SER A 122] PSI -53.0 -31.0 0.3 0.3 0.0 0.0 0.7 1.4 0.1 0.8 1.1 0.6 0.2 1.3 1.2 0.1 0.4 0.8 1.6 0.0 0.0 0.0 - 15 [ 0.0 .. 1.6] 314-> [PRO A 127] PSI -95.0 -155.0 0.0 0.0 0.0 0.0 1.4 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 0.0 0.0 - 1 [ 0.0 .. 1.4] 352-> [ALA A 9] PSI -55.0 -29.0 0.4 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.7 0.0 0.0 - 4 [ 0.0 .. 2.3] 354-> [LEU A 10] PSI -51.0 -29.0 1.0 0.0 0.0 0.0 1.1 0.0 0.0 1.0 1.3 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.3 1.3 0.6 - 9 [ 0.0 .. 1.8] 355-> [TRP A 11] PHI -85.0 -49.0 0.2 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 1.5 0.7 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.5] 360-> [ARG A 13] PSI -59.0 -29.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.5 0.0 0.0 2.6 0.0 0.0 - 4 [ 0.0 .. 2.6] 364-> [LEU A 15] PSI -49.0 -27.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.2 0.0 0.0 - 3 [ 0.0 .. 1.2] 366-> [THR A 16] PSI -57.0 -27.0 0.0 1.4 0.0 1.2 0.0 0.0 1.7 0.8 0.4 1.3 1.7 1.2 0.0 0.0 0.0 0.0 0.9 2.1 0.2 0.0 - 11 [ 0.0 .. 2.1] 380-> [VAL A 22] PSI 155.0 -145.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0] 396-> [ASP A 29] PSI -51.0 -31.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 2.7] 402-> [LYS A 32] PSI -61.0 -21.0 0.0 0.4 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1] 403-> [ARG A 33] PHI -80.0 -48.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.4 0.0 0.0 1.6 0.0 1.7 0.0 0.2 0.0 0.8 1.5 0.0 - 8 [ 0.0 .. 1.7] 404-> [ARG A 33] PSI -44.0 -20.0 1.1 2.4 1.7 3.3 0.3 2.2 2.5 2.2 2.6 0.1 2.1 2.6 0.0 4.3 1.6 3.2 3.5 1.9 2.3 0.5 - 19 [ 0.0 .. 4.3] 434-> [PRO A 45] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 2.6 0.0 0.0 - 3 [ 0.0 .. 3.1] 462-> [PRO A 55] PSI 45.0 15.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 1.4 0.0 0.1 0.0 3.0 0.0 0.0 0.0 0.0 0.0 1.6 0.3 0.0 - 6 [ 0.0 .. 3.0] 466-> [VAL A 56] PSI 115.0 5.0 0.0 0.0 0.0 0.0 0.0 41.1 0.0 36.0 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 .. 41.1] 470-> [ILE A 58] PHI -81.0 -53.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 1.6 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.6] 475-> [GLU A 60] PSI -53.0 -31.0 1.7 3.0 1.1 2.8 2.8 3.4 0.0 1.6 2.4 1.1 0.1 0.7 1.9 1.8 0.6 0.0 0.9 2.1 1.8 1.9 - 18 [ 0.0 .. 3.4] 477-> [LEU A 61] PSI -57.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.4 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.9] 490-> [PRO A 66] PSI 45.0 15.0 0.0 2.1 0.0 1.7 1.1 1.2 0.0 1.7 1.5 1.9 0.0 0.0 0.0 1.7 0.0 0.4 0.0 2.8 3.7 2.1 - 12 [ 0.0 .. 3.7] 519-> [ASP A 76] PSI -105.0 -145.0 0.0 0.0 0.0 0.0 0.3 1.3 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.4] 524-> [GLU A 78] PHI -77.0 -53.0 0.1 1.0 0.0 0.0 0.0 0.0 1.0 2.7 0.0 0.0 0.5 0.0 1.7 0.1 0.0 0.0 0.0 0.0 0.3 0.0 - 8 [ 0.0 .. 2.7] 525-> [GLU A 78] PSI -53.0 -33.0 0.8 0.0 0.0 1.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 1.8 0.0 0.1 - 6 [ 0.0 .. 1.8] 527-> [GLN A 79] PSI -51.0 -25.0 0.0 0.3 0.7 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.6] 528-> [SER A 80] PHI -79.0 -51.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4] 537-> [GLY A 84] PSI -51.0 -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 0.7 0.0 1.1 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1] 567-> [LEU A 96] PHI -117.0 -93.0 1.9 1.8 2.0 1.1 0.0 1.9 1.1 1.3 1.7 0.7 1.5 1.7 1.8 1.6 2.0 2.5 2.1 1.0 2.5 1.5 - 19 [ 0.0 .. 2.5] 568-> [LEU A 96] PSI 125.0 159.0 0.2 0.0 0.0 0.0 0.2 0.6 0.8 0.0 1.1 0.4 0.5 0.9 0.7 0.0 1.3 0.7 1.3 0.3 0.9 0.6 - 15 [ 0.0 .. 1.3] 576-> [THR A 99] PSI 125.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 - 1 [ 0.0 .. 3.2] 584-> [LYS A 102] PSI 145.0 -125.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.9 0.8 0.2 0.0 - 7 [ 0.0 .. 2.7] 620-> [LEU A 117] 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 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] 625-> [LEU A 119] PSI -49.0 -35.0 1.7 0.7 0.0 0.0 0.8 0.5 0.0 2.3 1.8 0.6 1.6 0.8 0.9 0.0 1.1 0.7 0.2 0.8 0.7 0.9 - 16 [ 0.0 .. 2.3] 631-> [SER A 122] PSI -53.0 -31.0 0.3 0.3 0.0 0.0 0.7 1.4 0.1 0.8 1.1 0.6 0.2 1.3 1.2 0.1 0.4 0.8 1.6 0.0 0.0 0.0 - 15 [ 0.0 .. 1.6] 644-> [PRO A 127] PSI -95.0 -155.0 0.0 0.0 0.0 0.0 1.4 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 0.0 0.0 - 1 [ 0.0 .. 1.4] ---- 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 : 10 16 8 14 8 21 10 16 18 10 12 12 12 14 12 4 12 22 12 6 12.45 > 10. degrees : 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0.10 Total : 38 28 16 24 24 38 16 31 30 32 26 30 28 26 22 18 26 44 28 24 27.45 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 : 1.9 3.0 2.0 3.3 2.8 41.1 2.7 36.0 2.6 2.4 2.1 3.0 2.3 4.3 2.0 3.2 3.5 3.2 3.7 2.1 41.10 Max PHI Viol : 1.9 1.8 2.0 1.1 0.7 1.9 1.1 2.7 1.7 0.7 1.5 1.7 1.8 1.7 2.0 2.5 2.1 1.0 2.5 1.5 2.74 Max PSI Viol : 1.7 3.0 1.7 3.3 2.8 41.1 2.7 36.0 2.6 2.4 2.1 3.0 2.3 4.3 1.6 3.2 3.5 3.2 3.7 2.1 41.10 Average Violation : 0.0 0.1 0.0 0.0 0.0 0.1 0.0 0.1 0.1 0.0 0.0 0.1 0.0 0.1 0.0 0.0 0.1 0.1 0.1 0.0 0.052 Avge PHI Viol : 0.155 0.130 0.150 0.075 0.080 0.135 0.103 0.166 0.149 0.087 0.161 0.161 0.153 0.143 0.132 0.128 0.124 0.141 0.149 0.112 0.134 Avge PSI Viol : 0.273 0.334 0.173 0.305 0.262 0.528 0.251 0.478 0.303 0.285 0.227 0.300 0.280 0.334 0.245 0.209 0.326 0.433 0.309 0.235 0.316 RMS Violation : 0.230 0.327 0.188 0.283 0.213 1.634 0.246 1.433 0.289 0.222 0.224 0.295 0.264 0.362 0.215 0.237 0.329 0.414 0.325 0.202 0.552 RMS PHI Viol : 0.189 0.154 0.185 0.078 0.063 0.158 0.105 0.223 0.170 0.063 0.178 0.184 0.187 0.175 0.175 0.184 0.160 0.124 0.212 0.125 0.161 RMS PSI Viol : 0.278 0.476 0.191 0.432 0.325 2.547 0.363 2.225 0.404 0.339 0.276 0.404 0.347 0.525 0.263 0.298 0.477 0.629 0.440 0.277 0.842 Final --global-- Summary for 20 models, 660 ACOs/model, 13200 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 681.11 Summ. Sq. Viol. : 4027.73 Max. Viol. : 41.104 Avg. Viol. : 0.05160 RMS Viol. : 0.55239 Std. Dev. Viol. : 0.54997