2-> [ARG A 3] PSI -54.9 -14.9 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 4.3 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.3] 24-> [TYR A 14] PSI -20.7 39.3 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 0.0 0.0 0.0 0.0 0.0 0.0 2.5 - 1 [ 0.0 .. 2.5] 32-> [ASP A 19] PSI 122.2 -177.8 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.3] 34-> [HIS A 20] PSI 87.7 147.7 0.4 0.0 11.6 0.0 0.0 9.9 6.1 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.7 0.0 0.9 0.0 0.0 - 7 [ 0.0 .. 11.6] 54-> [ARG A 32] PSI 132.2 -167.8 0.0 0.0 0.8 2.4 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 0.0 - 2 [ 0.0 .. 2.4] 55-> [HIS A 33] PHI -99.4 -39.4 0.0 2.8 0.0 0.0 0.0 0.0 0.0 9.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.3] 56-> [HIS A 33] PSI 110.2 170.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.7] 61-> [ASN A 36] PHI -121.8 -61.8 0.0 0.0 0.0 4.9 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 0.0 0.0 0.0 - 2 [ 0.0 .. 4.9] 62-> [ASN A 36] PSI -30.0 30.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.2 0.0 11.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 11.7] 63-> [TYR A 40] PHI -158.3 -98.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 2.1 1.7 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.2] 64-> [TYR A 40] PSI 126.4 -173.6 15.8 16.4 5.3 0.0 15.4 3.1 11.6 16.0 0.0 8.4 33.5 0.0 1.9 11.0 15.3 9.5 4.2 0.0 11.9 7.4 - 16 [ 0.0 .. 33.5] 65-> [ALA A 41] PHI -150.3 -90.3 0.0 0.0 0.0 0.0 4.8 0.0 4.6 5.6 0.0 0.0 0.0 0.0 0.0 0.0 5.5 0.0 0.0 0.0 9.2 2.0 - 6 [ 0.0 .. 9.2] 68-> [LEU A 42] PSI 94.9 154.9 0.0 0.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 1.7] 74-> [ASP A 45] PSI 114.4 174.4 10.1 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 0.0 0.0 2.8 0.0 0.0 0.0 0.0 2.9 0.0 5.7 0.0 - 5 [ 0.0 .. 10.1] 76-> [ILE A 46] PSI 82.0 142.0 10.8 14.7 10.7 11.8 15.2 14.1 11.7 16.0 17.0 15.2 14.3 11.3 10.5 10.5 15.1 12.4 10.4 8.3 14.1 12.1 - 20 [ 8.3 .. 17.0] 93-> [ASP A 60] PHI -149.5 -89.5 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 1.3 0.0 0.8 0.0 0.0 - 3 [ 0.0 .. 1.3] 100-> [LEU A 64] PSI 104.3 164.3 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.0] 117-> [LEU A 74] PHI -84.8 -44.8 0.0 0.0 0.0 2.6 4.2 0.0 0.0 0.0 3.8 0.0 0.0 0.0 2.8 2.9 0.0 0.0 0.0 0.0 3.4 0.0 - 6 [ 0.0 .. 4.2] 129-> [TYR A 81] PHI -123.5 -63.5 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.0] 172-> [THR A 116] PSI -26.3 13.7 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 0.0 0.0 1.6 - 1 [ 0.0 .. 1.6] ---- 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 : 0 1 2 4 2 2 2 5 2 1 0 3 3 4 1 2 2 1 3 4 2.20 > 10. degrees : 3 2 2 1 2 1 2 2 2 1 3 1 1 2 2 1 1 0 2 1 1.60 Total : 4 3 5 5 4 3 4 8 4 2 3 4 4 7 3 4 4 3 5 5 4.20 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 : 15.8 16.4 11.6 11.8 15.4 14.1 11.7 16.0 17.0 15.2 33.5 11.3 10.5 11.0 15.3 12.4 10.4 8.3 14.1 12.1 33.47 Max PHI Viol : 0.0 2.8 1.4 4.9 4.8 0.0 4.6 9.3 3.8 0.0 0.0 2.0 2.8 2.9 5.5 1.3 1.0 0.8 9.2 2.0 9.26 Max PSI Viol : 15.8 16.4 11.6 11.8 15.4 14.1 11.7 16.0 17.0 15.2 33.5 11.3 10.5 11.0 15.3 12.4 10.4 8.3 14.1 12.1 33.47 Average Violation : 0.2 0.2 0.2 0.1 0.2 0.2 0.2 0.4 0.2 0.1 0.3 0.1 0.1 0.2 0.2 0.1 0.1 0.1 0.3 0.1 0.184 Avge PHI Viol : 0.000 0.179 0.129 0.296 0.324 0.000 0.232 0.464 0.209 0.000 0.000 0.152 0.240 0.254 0.253 0.121 0.105 0.094 0.383 0.154 0.220 Avge PSI Viol : 0.657 0.602 0.574 0.436 0.596 0.561 0.585 0.703 0.579 0.524 0.832 0.474 0.379 0.571 0.595 0.512 0.451 0.326 0.608 0.524 0.565 RMS Violation : 1.652 1.694 1.274 1.026 1.721 1.332 1.386 2.012 1.543 1.327 2.915 0.983 0.855 1.242 1.692 1.197 0.886 0.637 1.654 1.114 1.489 RMS PHI Viol : 0.000 0.297 0.154 0.600 0.692 0.000 0.500 1.221 0.405 0.000 0.000 0.215 0.380 0.375 0.595 0.136 0.103 0.081 1.056 0.221 0.487 RMS PSI Viol : 2.336 2.377 1.795 1.322 2.333 1.884 1.895 2.571 2.144 1.876 4.123 1.374 1.147 1.717 2.318 1.687 1.248 0.897 2.087 1.561 2.048 Final --global-- Summary for 20 models, 172 ACOs/model, 3440 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 632.38 Summ. Sq. Viol. : 7623.23 Max. Viol. : 33.472 Avg. Viol. : 0.18383 RMS Viol. : 1.48864 Std. Dev. Viol. : 1.47725