1-> [VAL A 20] PHI -85.8 -45.8 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 0.0 1.1 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1] 5-> [GLU A 22] PHI -84.7 -44.7 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.7] 12-> [GLU A 25] PSI -60.2 -11.4 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 6.4 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.4] 14-> [LYS A 26] PSI -43.9 30.9 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 0.5 0.0 3.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.0] 15-> [TYR A 32] PHI -125.8 -56.1 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 0.0 0.0 0.0 - 1 [ 0.0 .. 4.3] 16-> [TYR A 32] PSI 102.5 148.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.3 0.0 0.2 0.0 2.5 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 13.3] 23-> [GLU A 37] PHI -163.4 -86.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 - 2 [ 0.0 .. 2.8] 24-> [GLU A 37] PSI 98.8 169.3 0.0 0.0 0.0 6.3 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 28.9 0.0 0.0 0.0 - 3 [ 0.0 .. 28.9] 25-> [THR A 38] PHI -163.0 -85.4 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 3.6 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.6] 26-> [THR A 38] PSI 130.6 -172.6 0.0 0.0 2.8 0.0 0.0 10.6 0.0 23.5 10.6 0.0 9.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 - 6 [ 0.0 .. 23.5] 41-> [GLN A 55] PHI -144.8 -92.7 0.0 0.7 0.0 0.0 0.0 0.0 2.7 0.0 2.6 0.0 2.9 2.8 1.7 0.0 2.6 0.0 0.1 0.0 0.0 2.5 - 9 [ 0.0 .. 2.9] 42-> [GLN A 55] PSI 111.0 -172.5 0.0 3.3 0.0 0.8 12.0 0.0 2.1 0.0 0.6 8.3 1.3 0.0 0.0 0.0 1.2 0.0 2.0 0.0 6.9 3.9 - 11 [ 0.0 .. 12.0] 78-> [LEU A 76] PSI -58.3 -18.3 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 7.3 0.0 0.0 0.0 - 1 [ 0.0 .. 7.3] 79-> [GLU A 77] PHI -94.9 -47.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7] 80-> [GLU A 77] PSI -54.1 -14.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.9] 81-> [LYS A 78] PHI -106.0 -52.2 1.5 0.0 2.4 0.0 0.1 0.0 1.2 0.0 4.0 0.0 4.5 0.0 1.1 0.0 2.9 0.7 0.0 0.0 3.3 0.0 - 10 [ 0.0 .. 4.5] 82-> [LYS A 78] PSI -53.2 9.0 0.0 4.2 0.0 0.0 0.0 5.6 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 0.0 - 3 [ 0.0 .. 5.6] ---- 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 : 1 2 3 1 0 1 3 1 2 1 6 2 2 0 6 1 5 0 2 3 2.10 > 10. degrees : 0 0 0 0 1 1 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0.30 Total : 1 3 3 2 2 2 3 3 4 1 7 2 3 0 7 2 7 0 2 4 2.90 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 : 1.5 4.2 4.7 6.3 12.0 10.6 2.7 23.5 10.6 8.3 13.3 2.8 1.7 0.0 3.6 6.4 28.9 0.0 6.9 3.9 28.88 Max PHI Viol : 1.5 0.7 4.7 0.0 0.1 0.0 2.7 0.4 4.0 0.0 4.5 2.8 1.7 0.0 3.6 0.7 2.7 0.0 3.3 2.5 4.68 Max PSI Viol : 0.0 4.2 2.8 6.3 12.0 10.6 2.1 23.5 10.6 8.3 13.3 0.0 0.2 0.0 2.5 6.4 28.9 0.0 6.9 3.9 28.88 Average Violation : 0.0 0.1 0.1 0.1 0.1 0.2 0.1 0.3 0.2 0.1 0.5 0.1 0.0 0.0 0.2 0.1 0.6 0.0 0.1 0.1 0.148 Avge PHI Viol : 0.192 0.133 0.410 0.000 0.042 0.000 0.303 0.096 0.394 0.000 0.526 0.364 0.260 0.000 0.495 0.125 0.258 0.000 0.278 0.340 0.272 Avge PSI Viol : 0.000 0.423 0.259 0.412 0.535 0.622 0.225 0.780 0.518 0.445 0.796 0.000 0.077 0.000 0.316 0.390 1.028 0.000 0.406 0.334 0.471 RMS Violation : 0.169 0.589 0.650 0.694 1.312 1.311 0.394 2.570 1.272 0.907 1.940 0.429 0.224 0.000 0.669 0.702 3.305 0.000 0.834 0.576 1.241 RMS PHI Viol : 0.238 0.115 0.810 0.000 0.011 0.000 0.450 0.060 0.726 0.000 1.054 0.606 0.315 0.000 0.840 0.101 0.414 0.000 0.502 0.529 0.472 RMS PSI Viol : 0.000 0.825 0.435 0.981 1.856 1.855 0.328 3.634 1.646 1.282 2.534 0.000 0.039 0.000 0.435 0.988 4.656 0.000 1.068 0.619 1.691 Final --global-- Summary for 20 models, 84 ACOs/model, 1680 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 248.41 Summ. Sq. Viol. : 2588.17 Max. Viol. : 28.875 Avg. Viol. : 0.14786 RMS Viol. : 1.24120 Std. Dev. Viol. : 1.23236