6-> [SER A 23] PSI -50.3 -6.8 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 0.0 0.0 1.2 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2] 19-> [GLY A 31] PHI 97.2 -122.8 23.7 21.4 22.1 27.8 24.0 25.0 19.9 17.8 20.6 26.3 27.8 27.7 19.8 27.8 25.8 28.1 24.0 27.4 16.5 25.8 - 20 [ 16.5 .. 28.1] 20-> [GLY A 31] PSI 85.3 -134.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.9 0.4 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.9] 62-> [VAL A 57] PSI 120.0 160.0 0.0 0.0 0.0 2.5 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 - 1 [ 0.0 .. 2.5] 114-> [SER A 83] PSI 100.1 177.2 0.0 20.0 0.0 0.0 0.0 14.0 0.0 0.0 0.0 0.0 0.0 0.0 17.0 20.7 0.0 20.4 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 20.7] 115-> [ASN A 84] PHI -140.7 -21.6 9.2 8.9 0.0 0.0 5.1 14.4 3.4 5.7 18.4 8.0 7.3 0.0 11.9 12.1 0.0 6.2 8.9 0.0 0.0 4.3 - 14 [ 0.0 .. 18.4] 116-> [ASN A 84] PSI 99.3 -175.1 28.5 0.0 32.5 28.3 29.4 0.0 18.8 32.4 9.0 28.8 13.3 25.5 0.0 0.0 29.5 0.0 10.6 24.5 27.2 15.2 - 15 [ 0.0 .. 32.5] 142-> [PHE A 102] PHI -160.4 -20.4 12.3 0.0 15.4 12.0 15.5 11.1 0.0 12.9 11.3 15.3 15.4 12.0 13.2 15.3 0.0 15.3 13.0 12.0 0.0 15.4 - 16 [ 0.0 .. 15.5] 143-> [PHE A 102] PSI 111.4 167.6 3.4 0.0 0.0 5.9 6.0 6.3 0.0 6.5 6.5 2.6 8.0 3.1 3.3 6.3 0.0 0.0 6.4 6.4 0.0 0.0 - 13 [ 0.0 .. 8.0] 144-> [CYS A 103] PHI -140.3 -47.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.1 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 .. 9.1] 147-> [HIS A 104] PSI 105.5 153.9 0.0 0.0 0.5 4.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.9 0.0 0.0 0.0 16.9 0.0 0.0 0.0 5.9 - 5 [ 0.0 .. 16.9] 181-> [GLY A 124] PHI 65.5 120.4 0.0 0.0 3.3 1.5 1.5 2.2 0.0 4.3 3.3 0.0 4.3 0.0 0.0 0.0 0.0 0.0 3.3 0.0 2.7 0.0 - 9 [ 0.0 .. 4.3] 188-> [PHE A 127] PSI 113.8 153.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 - 2 [ 0.0 .. 2.3] 195-> [GLY A 131] PHI 148.4 -71.6 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 44.3 0.0 0.0 - 1 [ 0.0 .. 44.3] 198-> [PHE A 132] PSI 100.3 164.3 0.0 0.0 4.3 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 7.5 0.0 0.0 - 4 [ 0.0 .. 7.5] 205-> [LEU A 137] PHI -87.7 -47.7 0.0 0.0 0.0 0.0 0.0 0.0 7.0 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 - 2 [ 0.0 .. 7.0] 214-> [GLY A 143] PSI 61.4 -158.6 0.0 0.0 0.0 0.0 0.0 6.4 0.0 10.1 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 10.1] 219-> [LEU A 150] PHI 178.1 -68.8 0.0 0.0 21.7 0.0 0.0 18.7 0.0 18.8 12.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 21.7] 240-> [LEU A 163] PSI -57.5 53.8 36.2 36.2 43.4 38.6 37.3 39.1 36.3 41.3 40.6 36.1 39.8 44.0 36.3 36.2 41.2 41.4 42.8 36.2 41.2 40.9 - 20 [ 36.1 .. 44.0] 265-> [LYS A 184] PHI -163.9 -23.9 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.1] 283-> [GLN A 193] PHI -140.7 -97.9 0.0 0.0 0.0 3.3 2.3 0.0 3.1 0.0 0.0 0.0 0.0 0.0 3.4 4.3 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 4.3] 284-> [GLN A 193] PSI 109.6 149.6 1.4 0.0 0.0 5.1 4.7 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 3.6 1.0 7.9 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 7.9] 285-> [LYS A 194] PHI -128.6 -60.0 12.2 0.3 20.5 7.6 5.2 7.6 4.8 13.5 10.0 13.3 10.0 20.7 6.2 5.9 9.1 6.1 10.0 11.7 10.0 7.8 - 20 [ 0.3 .. 20.7] ---- 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 1 2 7 6 6 5 4 6 2 4 2 4 7 2 3 5 2 1 3 3.75 > 10. degrees : 5 3 6 4 4 6 3 7 5 5 4 5 5 5 3 5 4 6 4 4 4.65 Total : 8 6 10 11 10 12 9 13 12 7 8 7 9 13 5 8 9 8 6 7 8.90 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 : 36.2 36.2 43.4 38.6 37.3 39.1 36.3 41.3 40.6 36.1 39.8 44.0 36.3 36.2 41.2 41.4 42.8 44.3 41.2 40.9 44.26 Max PHI Viol : 23.7 21.4 22.1 27.8 24.0 25.0 19.9 18.8 20.6 26.3 27.8 27.7 19.8 27.8 25.8 28.1 24.0 44.3 16.5 25.8 44.26 Max PSI Viol : 36.2 36.2 43.4 38.6 37.3 39.1 36.3 41.3 40.6 36.1 39.8 44.0 36.3 36.2 41.2 41.4 42.8 36.2 41.2 40.9 44.00 Average Violation : 0.4 0.3 0.6 0.5 0.5 0.5 0.3 0.6 0.5 0.5 0.4 0.5 0.4 0.5 0.4 0.5 0.4 0.6 0.3 0.4 0.452 Avge PHI Viol : 0.633 0.465 0.762 0.604 0.612 0.753 0.517 0.719 0.771 0.664 0.673 0.650 0.617 0.691 0.494 0.625 0.644 0.817 0.452 0.611 0.646 Avge PSI Viol : 0.692 0.623 0.749 0.763 0.730 0.682 0.629 0.806 0.637 0.682 0.649 0.736 0.634 0.712 0.704 0.773 0.648 0.717 0.691 0.654 0.697 RMS Violation : 3.272 2.793 3.988 3.416 3.325 3.319 2.740 3.716 3.234 3.389 3.228 3.715 2.873 3.246 3.396 3.525 3.184 4.168 3.128 3.186 3.360 RMS PHI Viol : 2.571 1.936 3.373 2.629 2.473 3.095 1.851 2.731 2.938 2.859 2.871 3.064 2.301 2.916 2.291 2.776 2.559 4.575 1.631 2.624 2.770 RMS PSI Viol : 3.839 3.435 4.514 4.044 3.991 3.526 3.395 4.480 3.502 3.841 3.544 4.261 3.342 3.541 4.211 4.133 3.698 3.722 4.100 3.656 3.855 Final --global-- Summary for 20 models, 288 ACOs/model, 5760 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 2604.18 Summ. Sq. Viol. : 65038.21 Max. Viol. : 44.263 Avg. Viol. : 0.45211 RMS Viol. : 3.36026 Std. Dev. Viol. : 3.32971