7-> [VAL A 5] PHI -153.6 -73.6 0.0 0.0 0.0 3.6 0.0 0.0 0.0 0.0 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 .. 3.6] 13-> [SER A 10] PHI -157.3 -77.3 0.0 0.0 0.0 0.0 3.5 0.0 0.0 0.0 1.7 0.0 0.0 0.0 7.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 7.4] 14-> [SER A 10] PSI 81.4 -178.6 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 6.9 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 6.9] 19-> [LEU A 18] PHI -176.0 -96.0 0.0 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 0.0 0.0 0.1 0.0 0.0 0.0 - 2 [ 0.0 .. 4.9] 41-> [ALA A 32] PHI -99.3 -19.3 0.0 0.0 0.0 35.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 35.6] 43-> [GLU A 33] PHI -111.4 -31.4 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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 .. 6.6] 45-> [VAL A 35] PHI -152.4 -72.4 4.6 0.0 0.0 0.0 6.6 9.3 0.0 0.0 0.0 18.6 1.4 0.0 4.8 0.0 0.0 4.1 0.0 0.0 2.9 0.0 - 8 [ 0.0 .. 18.6] 47-> [THR A 36] PHI -153.5 -73.5 0.0 0.0 1.3 0.0 0.0 0.0 0.0 10.8 0.0 0.0 4.6 0.0 0.0 5.1 0.0 5.9 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 10.8] 49-> [VAL A 37] PHI -159.8 -79.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.9] 53-> [LEU A 39] PHI -159.2 -79.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.5] 73-> [GLU A 61] PHI -164.1 -84.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 1.9 5.1 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 .. 5.1] 74-> [GLU A 61] PSI 85.6 -174.4 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 0.0 0.0 0.0 5.7 - 1 [ 0.0 .. 5.7] 77-> [LEU A 63] PHI -154.3 -74.3 0.0 0.0 0.0 0.0 0.0 12.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 12.1] 78-> [LEU A 63] PSI 94.3 -165.7 0.0 0.0 0.0 17.6 21.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.6 0.0 0.0 - 3 [ 0.0 .. 21.3] 79-> [HIS A 77] PHI 178.1 -101.9 0.0 0.0 0.0 0.0 32.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26.9 0.0 0.0 29.3 0.0 0.0 - 3 [ 0.0 .. 32.0] 80-> [HIS A 77] PSI 105.7 -154.3 0.0 0.0 0.0 0.0 0.0 37.8 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 [ 0.0 .. 37.8] ---- 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 : 2 0 1 1 5 1 0 1 2 0 2 2 3 2 1 3 0 1 1 1 1.45 > 10. degrees : 0 0 0 2 2 2 0 1 0 1 0 0 0 0 1 0 0 1 0 0 0.50 Total : 2 0 1 3 7 3 0 2 2 1 2 2 3 2 2 3 1 2 1 1 2.00 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 : 6.6 0.0 1.3 35.6 32.0 37.8 0.0 10.8 5.1 18.6 4.6 9.9 7.4 5.1 26.9 6.9 0.1 29.3 2.9 5.7 37.80 Max PHI Viol : 6.6 0.0 1.3 35.6 32.0 12.1 0.0 10.8 5.1 18.6 4.6 9.9 7.4 5.1 26.9 5.9 0.1 29.3 2.9 0.0 35.62 Max PSI Viol : 0.0 0.0 0.0 17.6 21.3 37.8 0.0 0.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 6.9 0.0 8.6 0.0 5.7 37.80 Average Violation : 0.1 0.0 0.0 0.7 0.9 0.7 0.0 0.2 0.1 0.2 0.1 0.2 0.2 0.1 0.4 0.2 0.0 0.5 0.0 0.1 0.239 Avge PHI Viol : 0.523 0.000 0.175 0.979 1.104 0.723 0.000 0.557 0.408 0.673 0.384 0.687 0.545 0.470 0.867 0.493 0.060 0.845 0.265 0.000 0.585 Avge PSI Viol : 0.000 0.000 0.000 0.662 0.792 0.972 0.000 0.000 0.000 0.000 0.000 0.000 0.316 0.000 0.000 0.415 0.000 0.463 0.000 0.379 0.363 RMS Violation : 0.896 0.000 0.139 4.431 4.415 4.531 0.000 1.220 0.599 2.066 0.538 1.523 1.072 0.717 3.025 1.105 0.016 3.389 0.319 0.638 2.159 RMS PHI Viol : 1.260 0.000 0.196 5.592 5.205 2.389 0.000 1.714 0.842 2.904 0.756 2.140 1.372 1.008 4.252 1.118 0.023 4.571 0.448 0.000 2.512 RMS PSI Viol : 0.000 0.000 0.000 2.776 3.420 5.977 0.000 0.000 0.000 0.000 0.000 0.000 0.630 0.000 0.000 1.092 0.000 1.358 0.000 0.908 1.723 Final --global-- Summary for 20 models, 81 ACOs/model, 1620 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 386.70 Summ. Sq. Viol. : 7551.56 Max. Viol. : 37.802 Avg. Viol. : 0.23870 RMS Viol. : 2.15904 Std. Dev. Viol. : 2.14580