3-> [TYR A 21] PHI -171.7 -111.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.9 0.0 0.0 0.0 25.8 0.0 3.3 1.3 0.0 - 4 [ 0.0 .. 25.8] 7-> [GLU A 23] PHI -149.5 -89.5 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.6 0.0 0.0 - 2 [ 0.0 .. 4.6] 13-> [HIS A 31] PHI -176.2 -116.2 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 0.0 8.4 0.0 0.0 - 1 [ 0.0 .. 8.4] 15-> [ILE A 33] PHI -171.2 -111.2 1.3 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 - 1 [ 0.0 .. 1.3] 16-> [ILE A 33] PSI 118.0 -162.0 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 0.0 0.0 0.0 - 1 [ 0.0 .. 2.0] 17-> [ALA A 34] PHI -162.5 -102.5 3.4 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 - 1 [ 0.0 .. 3.4] 21-> [ALA A 36] PHI -139.4 -79.4 6.1 0.0 0.0 0.0 15.6 7.7 0.0 6.7 20.8 9.5 0.0 10.5 0.0 0.0 10.6 0.0 0.0 0.0 10.7 0.0 - 9 [ 0.0 .. 20.8] 23-> [VAL A 41] PHI -114.3 -54.3 0.0 0.0 18.0 0.0 0.0 0.0 0.0 0.0 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 .. 18.0] 25-> [SER A 43] PHI -127.0 -67.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.7 0.0 0.0 - 2 [ 0.0 .. 1.8] 27-> [TRP A 44] PHI -158.2 -98.2 8.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.9 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 - 3 [ 0.0 .. 8.3] 29-> [VAL A 46] PHI -146.1 -86.1 19.5 22.8 29.2 30.7 20.7 0.0 35.2 23.6 33.8 0.0 29.6 23.8 30.7 0.0 14.9 22.6 15.7 30.4 0.0 0.0 - 15 [ 0.0 .. 35.2] 35-> [LEU A 56] PHI -96.0 -36.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3] 45-> [LEU A 71] PHI -114.2 -54.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 8.0] 46-> [LEU A 71] PSI -42.5 37.5 4.4 0.0 17.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 1.0 0.0 1.0 0.0 - 5 [ 0.0 .. 17.5] 47-> [ARG A 84] PHI -130.2 -70.2 0.0 30.0 7.7 0.0 0.0 0.0 0.0 0.0 0.0 6.4 29.9 7.7 9.8 0.0 0.0 6.4 1.3 0.0 0.0 8.8 - 9 [ 0.0 .. 30.0] 48-> [ARG A 84] PSI 107.4 -172.6 10.7 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 22.9 0.0 - 2 [ 0.0 .. 22.9] 56-> [VAL A 94] PSI 97.3 177.3 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.5] 57-> [GLY A 104] PHI -166.2 -106.2 24.8 30.3 39.1 28.9 31.3 40.5 41.2 31.3 24.6 23.7 29.8 30.2 33.6 21.7 30.0 28.5 41.1 43.7 11.6 38.1 - 20 [ 11.6 .. 43.7] 58-> [GLY A 104] PSI 141.7 -138.3 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 4.7 0.0 0.0 - 3 [ 0.0 .. 4.7] 62-> [GLN A 107] PHI -96.2 -36.2 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 7.4 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 7.4] 66-> [VAL A 118] PHI -142.0 -82.0 0.0 0.0 0.0 0.0 0.0 4.9 1.8 5.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 - 4 [ 0.0 .. 5.1] 70-> [ALA A 120] PHI -138.4 -78.4 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 1.3 0.0 0.0 - 2 [ 0.0 .. 1.3] 73-> [MET A 121] PSI 108.1 -171.9 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 0.0 0.0 0.0 0.0 0.0 5.3 - 1 [ 0.0 .. 5.3] 100-> [VAL A 141] PHI -158.0 -98.0 0.0 9.6 0.0 0.0 0.0 0.0 6.9 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 0.0 0.0 2.0 0.0 0.0 - 4 [ 0.0 .. 9.6] 107-> [LEU A 144] PSI 111.0 -169.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 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 - 1 [ 0.0 .. 5.7] 110-> [GLY A 148] PHI 159.7 -140.3 65.1 55.4 25.3 0.9 18.5 34.4 33.5 26.7 51.0 19.6 46.0 24.5 48.0 28.0 53.4 61.1 48.8 35.8 3.4 37.3 - 20 [ 0.9 .. 65.1] 111-> [GLY A 148] PSI -84.8 -4.8 16.3 0.0 17.5 0.0 0.0 25.8 9.8 18.5 0.0 6.4 16.6 0.0 17.0 8.4 0.0 0.0 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 25.8] ---- 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 : 6 1 1 1 0 4 4 2 1 3 1 3 3 2 1 1 1 7 2 3 2.35 > 10. degrees : 5 4 6 2 4 3 3 4 4 2 5 5 4 2 4 4 3 3 3 2 3.60 Total : 12 6 8 6 4 7 7 6 5 5 6 9 7 4 6 6 6 11 6 5 6.60 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 : 65.1 55.4 39.1 30.7 31.3 40.5 41.2 31.3 51.0 23.7 46.0 30.2 48.0 28.0 53.4 61.1 48.8 43.7 22.9 38.1 65.07 Max PHI Viol : 65.1 55.4 39.1 30.7 31.3 40.5 41.2 31.3 51.0 23.7 46.0 30.2 48.0 28.0 53.4 61.1 48.8 43.7 11.6 38.1 65.07 Max PSI Viol : 16.3 0.0 17.5 1.5 0.0 25.8 9.8 18.5 0.0 6.4 16.6 3.4 17.0 8.4 0.4 0.8 1.0 4.7 22.9 5.3 25.84 Average Violation : 1.5 1.3 1.4 0.6 0.8 1.0 1.2 1.0 1.2 0.6 1.4 1.1 1.3 0.6 1.0 1.3 1.0 1.2 0.5 0.8 1.042 Avge PHI Viol : 1.532 1.641 1.475 1.053 1.250 1.274 1.468 1.303 1.551 1.037 1.613 1.490 1.527 1.019 1.415 1.621 1.396 1.546 0.702 1.256 1.380 Avge PSI Viol : 0.773 0.000 0.791 0.161 0.000 0.695 0.526 0.574 0.000 0.338 0.544 0.247 0.552 0.388 0.089 0.123 0.133 0.291 0.654 0.306 0.442 RMS Violation : 7.198 7.036 6.015 4.003 4.233 5.674 6.180 4.895 6.565 3.171 6.782 4.848 6.563 3.525 6.067 7.204 6.237 6.188 2.667 5.157 5.673 RMS PHI Viol : 9.858 9.996 7.865 5.683 6.013 7.267 8.645 6.493 9.327 4.422 9.372 6.872 9.036 4.877 8.619 10.234 8.860 8.768 2.187 7.292 7.863 RMS PSI Viol : 2.692 0.000 3.309 0.194 0.000 3.456 1.517 2.466 0.000 0.852 2.216 0.457 2.278 1.128 0.059 0.112 0.132 0.634 3.067 0.703 1.749 Final --global-- Summary for 20 models, 111 ACOs/model, 2220 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 2313.24 Summ. Sq. Viol. : 71434.77 Max. Viol. : 65.069 Avg. Viol. : 1.04200 RMS Viol. : 5.67255 Std. Dev. Viol. : 5.57603