1-> [LYS A 8] PHI -113.2 -53.2 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.5 0.7 0.0 0.0 0.0 0.0 0.0 0.0 9.4 0.0 0.0 0.0 - 4 [ 0.0 .. 9.4] 3-> [PRO A 9] PSI 111.4 171.4 0.0 0.0 0.0 3.9 0.7 0.0 0.0 1.7 0.0 1.8 0.0 0.0 0.0 1.2 0.0 0.0 1.8 0.0 1.9 1.2 - 8 [ 0.0 .. 3.9] 8-> [ARG A 12] PHI -133.7 -73.7 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 2.6 0.0 0.0 0.0 - 1 [ 0.0 .. 2.6] 12-> [PHE A 14] PHI -122.0 -62.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.9 0.0 0.0 0.0 - 1 [ 0.0 .. 4.9] 19-> [ARG A 20] PHI -159.1 -99.1 2.3 0.9 0.8 0.8 0.7 6.2 2.8 0.9 1.4 0.2 1.4 1.4 3.9 0.0 0.0 0.0 0.8 2.5 2.8 0.8 - 17 [ 0.0 .. 6.2] 21-> [THR A 21] PHI -155.8 -95.8 0.0 0.0 0.0 0.0 3.4 4.6 0.0 4.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 0.0 4.2 - 5 [ 0.0 .. 4.6] 22-> [THR A 21] PSI 125.5 -174.5 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 1.4 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4] 27-> [ALA A 25] PSI 104.2 164.2 0.0 0.0 0.0 25.1 0.0 41.4 0.0 0.0 39.9 39.1 0.0 45.5 43.0 0.0 0.0 0.0 0.0 0.0 0.0 31.8 - 7 [ 0.0 .. 45.5] 43-> [LEU A 35] PSI -45.6 14.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 2.8 0.0 0.0 0.0 0.0 0.0 5.8 0.0 0.0 - 3 [ 0.0 .. 5.8] 46-> [LYS A 37] PHI -91.7 -31.7 0.0 0.0 0.0 1.5 12.6 8.6 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.1 0.0 0.0 0.0 - 5 [ 0.0 .. 12.6] 55-> [MET A 41] PSI -56.2 3.8 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 3.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.0] 56-> [ARG A 42] PHI -119.1 -59.1 8.4 0.0 0.0 8.2 6.9 7.2 7.6 0.0 8.0 0.0 0.0 9.5 8.0 7.2 10.2 0.0 6.5 8.9 8.2 0.0 - 13 [ 0.0 .. 10.2] 62-> [ILE A 45] PHI -145.5 -85.5 0.0 0.0 7.1 0.0 6.1 0.0 0.0 0.0 0.0 5.5 0.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 - 4 [ 0.0 .. 7.1] 67-> [CYS A 49] PHI -178.4 -118.4 8.3 0.0 0.0 0.0 8.3 0.0 0.0 0.0 0.0 0.0 0.0 1.3 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 8.3] 75-> [ARG A 53] PHI -170.3 -110.3 0.0 0.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 20.3 0.0 0.0 0.0 22.5 5.9 0.0 0.0 0.0 0.0 2.3 - 5 [ 0.0 .. 22.5] 79-> [GLN A 55] PHI -165.0 -105.0 0.0 0.0 3.1 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 3.0 0.0 - 2 [ 0.0 .. 3.1] 80-> [GLN A 55] PSI 95.6 155.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 2.1 5.6 0.0 0.0 0.0 0.1 0.0 0.0 - 4 [ 0.0 .. 5.6] 85-> [GLU A 58] PHI -144.3 -84.3 9.4 0.0 0.0 8.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.8 11.9 8.6 0.0 0.0 0.0 0.0 4.8 - 6 [ 0.0 .. 11.9] 86-> [GLU A 58] PSI 114.3 174.3 0.0 0.6 14.0 0.0 0.1 4.0 0.0 0.0 0.0 3.5 0.0 0.0 0.0 0.0 0.0 2.6 0.0 8.1 4.1 0.0 - 8 [ 0.0 .. 14.0] 88-> [LYS A 59] PSI 95.4 155.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.4 0.0 1.2 - 4 [ 0.0 .. 5.3] 111-> [GLY A 73] PSI -46.2 13.8 0.0 0.0 0.0 1.1 3.9 0.5 10.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.4 0.0 1.2 2.8 0.0 - 7 [ 0.0 .. 10.4] 115-> [GLU A 75] PSI 115.0 175.0 0.0 0.0 0.1 0.0 0.0 0.0 2.3 4.9 0.0 0.0 1.3 0.0 6.7 0.3 5.5 0.0 0.0 2.2 0.0 0.0 - 9 [ 0.0 .. 6.7] 116-> [LEU A 76] PHI -154.3 -94.3 0.0 2.8 1.3 4.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 2.8 0.0 0.0 0.0 0.0 6.8 0.0 0.0 - 6 [ 0.0 .. 6.8] 117-> [LEU A 76] PSI 112.7 172.7 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 15.1 0.0 0.0 0.0 - 1 [ 0.0 .. 15.1] ---- 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 : 5 1 3 7 5 6 4 3 4 4 2 6 8 3 4 2 8 7 6 5 4.65 > 10. degrees : 0 0 1 1 1 1 1 1 1 2 0 1 1 2 1 0 2 0 0 1 0.85 Total : 5 3 6 10 9 8 5 5 5 8 2 8 9 6 6 2 11 10 6 7 6.55 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 : 9.4 2.8 14.0 25.1 12.6 41.4 10.4 10.1 39.9 39.1 1.4 45.5 43.0 22.5 10.2 5.4 15.1 8.9 8.2 31.8 45.53 Max PHI Viol : 9.4 2.8 7.1 8.2 12.6 8.6 7.6 10.1 8.5 20.3 1.4 9.5 9.8 22.5 10.2 0.0 11.1 8.9 8.2 4.8 22.54 Max PSI Viol : 0.0 0.6 14.0 25.1 3.9 41.4 10.4 4.9 39.9 39.1 1.3 45.5 43.0 5.6 5.5 5.4 15.1 8.1 4.1 31.8 45.53 Average Violation : 0.3 0.0 0.2 0.4 0.3 0.6 0.2 0.2 0.5 0.6 0.0 0.6 0.7 0.4 0.3 0.1 0.5 0.3 0.2 0.4 0.331 Avge PHI Viol : 0.724 0.248 0.454 0.616 0.794 0.740 0.416 0.502 0.547 0.667 0.152 0.539 0.659 0.833 0.648 0.000 0.819 0.553 0.482 0.449 0.583 Avge PSI Viol : 0.000 0.095 0.467 0.693 0.270 0.840 0.482 0.319 0.807 0.861 0.140 0.889 0.937 0.333 0.321 0.351 0.530 0.535 0.369 0.725 0.569 RMS Violation : 1.394 0.266 1.442 2.527 1.645 3.951 1.218 1.085 3.723 4.005 0.168 4.205 4.113 2.424 1.399 0.537 2.058 1.387 0.946 2.909 2.446 RMS PHI Viol : 2.012 0.377 1.024 1.595 2.317 1.936 1.046 1.414 1.518 2.720 0.180 1.419 1.762 3.418 1.881 0.000 2.227 1.491 1.178 0.882 1.724 RMS PSI Viol : 0.000 0.073 1.741 3.152 0.496 5.153 1.357 0.647 4.953 4.901 0.157 5.670 5.447 0.717 0.703 0.744 1.889 1.284 0.664 3.944 2.960 Final --global-- Summary for 20 models, 125 ACOs/model, 2500 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 827.73 Summ. Sq. Viol. : 14953.68 Max. Viol. : 45.531 Avg. Viol. : 0.33109 RMS Viol. : 2.44571 Std. Dev. Viol. : 2.42319