1-> [GLU A 13] PHI -73.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.0 4.4 0.0 5.7 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.7] 3-> [GLU A 14] PHI -70.2 -50.2 1.1 5.0 1.7 17.6 0.0 3.7 12.2 7.0 0.0 4.1 9.5 17.4 0.0 1.7 4.3 17.3 3.9 5.9 4.3 12.9 - 17 [ 0.0 .. 17.6] 6-> [ALA A 15] PSI -49.6 -29.6 0.0 3.8 0.0 0.0 0.0 0.2 0.0 7.7 0.0 0.0 0.0 1.3 0.0 6.9 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 7.7] 8-> [ARG A 16] PSI -59.9 -33.8 0.0 13.5 0.0 1.1 1.4 8.7 0.0 14.6 0.0 0.0 0.0 12.4 0.0 10.3 0.0 1.4 0.0 5.5 0.0 0.0 - 9 [ 0.0 .. 14.6] 18-> [LYS A 21] PSI -57.1 -35.1 0.0 0.2 0.0 4.9 0.1 0.1 0.0 0.0 0.0 0.0 0.0 2.8 2.8 0.0 0.0 4.7 1.7 0.0 0.1 5.0 - 10 [ 0.0 .. 5.0] 21-> [HIS A 23] PHI -82.2 -53.1 1.7 0.0 2.9 0.0 2.7 0.0 0.0 1.3 3.5 2.1 0.0 3.6 0.0 1.1 3.1 0.0 0.0 2.9 0.0 0.0 - 10 [ 0.0 .. 3.6] 25-> [ARG A 36] PHI -71.0 -51.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 5.8 8.4 0.0 0.0 0.0 0.0 2.1 1.7 - 6 [ 0.0 .. 8.4] 29-> [ILE A 38] PHI -80.0 -56.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 1.8] 32-> [ALA A 39] PSI -50.0 -30.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 0.0 - 1 [ 0.0 .. 4.4] 33-> [GLU A 40] PHI -78.9 -53.9 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 11.6 0.0 0.0 0.0 - 1 [ 0.0 .. 11.6] 38-> [ALA A 48] PSI -47.0 -27.0 0.8 0.0 0.0 0.0 0.0 0.0 3.8 0.0 2.4 0.0 2.9 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 4.3] 44-> [LYS A 51] PSI -55.0 -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 0.0 0.0 0.0 1.1 - 1 [ 0.0 .. 1.1] 54-> [GLU A 56] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.2 0.0 0.0 0.8 0.0 0.0 0.6 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 4.2] 62-> [TYR A 60] PSI -51.2 -31.2 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.2] 63-> [ALA A 61] PHI -71.9 -51.2 0.0 10.9 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 15.1 0.0 0.0 3.9 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 15.1] 70-> [GLU A 64] PSI -10.0 18.0 4.4 0.0 6.0 2.9 0.0 0.0 5.6 0.0 0.0 0.0 0.0 0.0 5.8 0.0 0.0 0.0 0.0 0.0 3.4 0.0 - 6 [ 0.0 .. 6.0] 74-> [GLN A 71] PSI -50.1 -27.8 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 6.2 0.0 0.0 0.0 7.8 7.8 0.0 - 3 [ 0.0 .. 7.8] 75-> [GLU A 72] PHI -77.5 -51.5 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4] 77-> [ASP A 73] PHI -74.1 -54.1 0.3 0.0 0.0 0.0 1.7 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 3.5 0.0 0.0 6.1 0.0 0.0 0.6 - 6 [ 0.0 .. 6.1] 78-> [ASP A 73] PSI -56.4 -35.1 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.7 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 .. 1.7] 79-> [PHE A 74] PHI -72.3 -52.3 0.0 0.0 0.0 0.2 1.3 0.0 0.0 3.2 2.7 1.2 1.3 0.5 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 - 8 [ 0.0 .. 3.2] 90-> [ALA A 79] PSI -58.1 -23.4 0.0 0.0 3.5 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.5 - 3 [ 0.0 .. 6.5] 91-> [LYS A 80] PHI -88.5 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.3 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 1.3 - 3 [ 0.0 .. 11.3] 92-> [LYS A 80] PSI -58.9 -24.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.6] 96-> [MET A 82] PSI -31.0 33.0 0.0 13.6 3.5 0.0 4.0 0.0 0.0 0.0 4.1 4.0 14.8 1.6 0.0 0.0 2.8 0.0 13.6 0.0 10.2 0.0 - 10 [ 0.0 .. 14.8] ---- 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 : 3 3 5 5 5 2 3 6 5 6 4 5 3 9 4 3 4 4 4 5 4.40 > 10. degrees : 0 3 0 1 0 0 1 1 0 0 3 2 0 1 0 1 2 0 1 1 0.85 Total : 6 7 5 8 8 5 6 8 6 8 9 9 4 14 4 5 9 4 6 8 6.95 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 : 4.4 13.6 6.0 17.6 4.0 8.7 12.2 14.6 4.1 4.2 15.1 17.4 5.8 10.3 4.3 17.3 13.6 7.8 10.2 12.9 17.55 Max PHI Viol : 1.7 10.9 2.9 17.6 2.7 3.7 12.2 7.0 3.5 4.1 15.1 17.4 5.8 8.4 4.3 17.3 11.6 5.9 4.3 12.9 17.55 Max PSI Viol : 4.4 13.6 6.0 4.9 4.0 8.7 5.6 14.6 4.1 4.2 14.8 12.4 5.8 10.3 4.3 4.7 13.6 7.8 10.2 6.5 14.76 Average Violation : 0.1 0.5 0.2 0.4 0.1 0.1 0.2 0.4 0.2 0.2 0.6 0.5 0.2 0.5 0.1 0.3 0.4 0.2 0.3 0.3 0.291 Avge PHI Viol : 0.252 0.575 0.307 0.709 0.345 0.282 0.519 0.605 0.431 0.427 0.887 0.733 0.349 0.727 0.392 0.631 0.679 0.427 0.364 0.597 0.541 Avge PSI Viol : 0.346 0.812 0.516 0.467 0.355 0.430 0.467 0.684 0.383 0.438 0.673 0.608 0.436 0.724 0.380 0.369 0.635 0.521 0.664 0.508 0.538 RMS Violation : 0.500 2.334 0.861 1.984 0.557 0.964 1.419 1.911 0.718 0.782 2.663 2.269 0.884 1.842 0.747 1.833 2.016 1.176 1.435 1.580 1.561 RMS PHI Viol : 0.293 1.728 0.476 2.680 0.497 0.532 1.756 1.286 0.748 0.711 3.055 2.640 0.842 1.670 0.765 2.507 1.968 0.943 0.688 1.899 1.618 RMS PSI Viol : 0.641 2.803 1.116 0.870 0.611 1.250 0.983 2.368 0.686 0.847 2.213 1.834 0.923 1.997 0.729 0.705 2.061 1.367 1.901 1.187 1.504 Final --global-- Summary for 20 models, 97 ACOs/model, 1940 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 564.53 Summ. Sq. Viol. : 4728.14 Max. Viol. : 17.555 Avg. Viol. : 0.29100 RMS Viol. : 1.56115 Std. Dev. Viol. : 1.53379