1-> [GLU A 4] PHI -77.0 -47.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 1.3] 17-> [ARG A 25] PHI -79.0 -55.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.0] 18-> [ARG A 25] PSI -51.0 -19.0 0.0 0.0 0.0 0.0 0.3 0.6 1.8 0.0 0.5 1.2 0.0 0.0 0.6 0.0 1.2 0.8 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 1.8] 28-> [GLN A 30] PSI -53.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 1.2 - 4 [ 0.0 .. 1.2] 30-> [ARG A 31] PSI -55.0 -29.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.2 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.4] 34-> [LYS A 33] PSI -63.0 -27.0 0.0 0.0 0.0 0.0 0.0 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 0.1 0.0 - 2 [ 0.0 .. 1.5] 38-> [GLU A 35] PSI -59.0 -31.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 5.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 3.5 0.5 0.0 1.8 - 6 [ 0.0 .. 5.0] 58-> [ASN A 45] PSI -49.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.3] 67-> [PHE A 54] PHI -161.0 -69.0 0.0 0.0 0.5 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 1.8 0.0 0.1 0.4 0.0 - 6 [ 0.0 .. 1.8] 68-> [PHE A 54] PSI 123.0 171.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.6 0.0 0.0 0.0 - 3 [ 0.0 .. 1.3] 70-> [ARG A 55] PSI 125.0 167.0 3.2 1.7 1.3 1.6 0.8 0.9 0.7 0.0 0.0 0.0 0.0 0.6 0.0 1.2 0.0 0.6 0.5 0.0 0.7 3.2 - 13 [ 0.0 .. 3.2] 72-> [LEU A 56] PSI 125.0 171.0 0.0 0.4 0.9 2.3 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.5 0.4 0.0 0.5 0.0 0.0 0.0 0.0 - 8 [ 0.0 .. 2.3] 76-> [SER A 58] PSI 129.0 177.0 1.2 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 0.9 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.2] 84-> [LYS A 68] PSI 133.0 -179.0 0.0 0.0 0.0 0.0 1.8 0.0 2.1 0.0 1.0 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 .. 2.1] 88-> [TRP A 70] PSI 123.0 159.0 0.0 0.0 1.0 0.0 1.5 0.0 0.0 0.0 0.3 0.0 1.4 0.0 0.4 0.9 1.3 0.0 0.4 0.0 0.0 0.0 - 8 [ 0.0 .. 1.5] 89-> [TYR A 71] PHI -167.0 -119.0 1.1 0.0 0.0 0.0 1.2 1.6 1.5 1.3 0.0 0.8 0.0 0.0 0.0 0.3 0.0 1.0 0.0 0.5 0.7 0.0 - 11 [ 0.0 .. 1.6] 90-> [TYR A 71] PSI 121.0 159.0 0.0 0.0 0.0 0.4 0.0 0.7 0.5 0.0 1.9 1.5 0.0 0.0 0.0 2.3 0.0 0.4 1.0 0.0 0.0 0.9 - 9 [ 0.0 .. 2.3] 92-> [ILE A 72] PSI 115.0 143.0 0.0 0.0 0.6 0.0 1.2 0.0 0.0 0.0 1.1 0.0 0.2 0.0 0.0 0.0 0.9 0.3 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 1.2] 94-> [HIS A 73] PSI 109.0 147.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.6 2.4 0.7 - 6 [ 0.0 .. 3.8] 100-> [GLU A 79] PSI 137.0 179.0 1.2 0.6 0.0 1.6 0.7 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.9 2.1 0.5 0.6 0.0 - 10 [ 0.0 .. 2.1] 105-> [ILE A 82] PHI -149.0 -115.0 0.0 0.4 0.0 0.0 0.0 0.0 0.5 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.7] 110-> [PHE A 84] PSI 145.0 175.0 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7] 114-> [PHE A 121] PSI -59.0 -35.0 0.6 1.4 1.0 0.0 0.0 0.0 1.3 1.1 1.4 2.0 0.0 0.3 0.0 0.0 0.0 0.0 0.4 0.0 0.3 0.8 - 11 [ 0.0 .. 2.0] 129-> [HIS A 136] PHI -71.0 -51.0 0.9 0.0 0.2 0.2 0.0 0.5 0.8 0.5 0.0 1.7 0.2 0.1 0.7 0.3 0.6 0.3 0.8 0.0 0.0 0.0 - 14 [ 0.0 .. 1.7] 130-> [HIS A 136] PSI -55.0 -33.0 0.0 0.0 0.0 1.5 1.1 0.5 0.0 0.7 0.0 0.5 0.3 1.8 0.5 0.0 0.0 0.0 0.0 0.0 1.7 0.0 - 10 [ 0.0 .. 1.8] 142-> [GLY A 143] PSI -61.0 -21.0 0.9 0.7 0.4 0.9 0.1 0.8 2.2 1.0 0.6 1.2 1.2 0.2 0.5 0.8 0.9 0.4 1.9 0.6 1.0 1.3 - 20 [ 0.1 .. 2.2] 150-> [VAL A 148] PSI -55.0 -11.0 0.2 0.0 0.0 0.0 1.7 0.3 0.1 1.1 0.0 0.0 0.9 0.6 1.0 0.0 0.4 0.0 0.0 1.0 0.0 1.1 - 11 [ 0.0 .. 1.7] 151-> [ILE A 150] PHI -76.0 -56.0 0.0 1.0 0.0 1.8 0.0 0.4 0.2 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 - 8 [ 0.0 .. 1.8] 160-> [GLN A 155] PSI -53.0 -15.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 1.1 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1] 163-> [ASP A 3] PSI -15.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4] 167-> [ILE A 13] PSI 65.0 85.0 3.5 4.8 4.1 3.2 3.0 3.7 4.2 1.9 4.6 1.4 3.0 4.9 2.6 4.5 5.2 1.7 2.1 4.1 0.0 3.6 - 19 [ 0.0 .. 5.2] 172-> [LEU A 16] PSI 135.0 -155.0 0.8 0.4 0.0 0.0 0.0 0.0 0.4 0.0 0.2 0.0 0.0 0.0 0.0 0.0 3.4 0.4 0.3 0.0 0.3 0.1 - 9 [ 0.0 .. 3.4] 197-> [ASP A 50] PSI 5.0 95.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 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 .. 1.1] 232-> [ILE A 86] PSI 55.0 85.0 4.1 7.0 4.4 4.7 6.5 6.7 5.5 5.4 5.0 5.9 5.3 5.8 4.5 5.9 5.3 6.1 4.2 5.4 4.5 5.2 - 20 [ 4.1 .. 7.0] 245-> [ALA A 94] PSI 145.0 165.0 0.5 0.0 0.0 1.6 0.1 0.6 0.7 0.0 1.1 0.3 0.0 0.3 0.3 0.3 1.7 0.5 1.0 0.2 0.0 1.1 - 15 [ 0.0 .. 1.7] 259-> [VAL A 99] PSI 145.0 85.0 2.2 1.2 2.7 2.2 1.8 0.3 2.7 2.2 1.6 1.1 0.0 0.0 2.1 3.2 1.4 1.6 3.1 0.0 0.0 1.4 - 16 [ 0.0 .. 3.2] 260-> [PRO A 100] PSI -55.0 5.0 0.0 0.0 0.0 1.2 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 - 1 [ 0.0 .. 1.2] 269-> [ASP A 103] PSI -15.0 -155.0 0.0 0.0 0.0 0.1 2.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 2.1 0.0 1.1 0.0 - 5 [ 0.0 .. 2.1] 322-> [LYS A 131] PHI 175.0 75.0 0.0 1.3 2.2 0.0 0.5 0.0 0.0 0.0 0.5 0.0 0.0 0.8 1.0 0.1 1.0 0.0 0.5 0.0 0.1 0.2 - 11 [ 0.0 .. 2.2] 356-> [LYS A 164] PSI -85.0 -15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.4 0.0 0.0 0.0 0.0 0.0 0.0 1.5 - 3 [ 0.0 .. 1.5] ---- 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 : 7 6 7 11 10 5 11 7 11 10 5 4 8 7 8 5 9 2 4 10 7.35 > 10. degrees : 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.00 Total : 18 16 17 22 20 21 27 21 21 16 15 16 21 22 20 23 28 17 22 20 20.15 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 : 4.1 7.0 4.4 4.7 6.5 6.7 5.5 5.4 5.0 5.9 5.3 5.8 4.5 5.9 5.3 6.1 4.2 5.4 4.5 5.2 6.98 Max PHI Viol : 1.1 1.3 2.2 1.8 1.2 1.6 1.5 1.7 0.6 1.7 0.2 0.9 1.5 0.7 1.0 1.8 1.0 0.9 0.7 0.2 2.21 Max PSI Viol : 4.1 7.0 4.4 4.7 6.5 6.7 5.5 5.4 5.0 5.9 5.3 5.8 4.5 5.9 5.3 6.1 4.2 5.4 4.5 5.2 6.98 Average Violation : 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.0 0.1 0.065 Avge PHI Viol : 0.109 0.127 0.135 0.153 0.109 0.129 0.188 0.144 0.084 0.119 0.034 0.134 0.139 0.106 0.103 0.152 0.133 0.107 0.089 0.034 0.122 Avge PSI Viol : 0.361 0.342 0.339 0.379 0.383 0.345 0.399 0.335 0.424 0.347 0.306 0.321 0.331 0.405 0.412 0.309 0.399 0.289 0.316 0.406 0.360 RMS Violation : 0.380 0.475 0.395 0.411 0.449 0.437 0.470 0.371 0.493 0.393 0.348 0.429 0.342 0.505 0.507 0.376 0.417 0.370 0.311 0.429 0.419 RMS PHI Viol : 0.103 0.122 0.164 0.166 0.103 0.128 0.184 0.162 0.060 0.134 0.016 0.114 0.140 0.071 0.089 0.162 0.110 0.092 0.065 0.017 0.120 RMS PSI Viol : 0.560 0.701 0.564 0.588 0.665 0.642 0.675 0.527 0.739 0.572 0.523 0.632 0.489 0.755 0.756 0.536 0.615 0.546 0.461 0.646 0.615 Final --global-- Summary for 20 models, 364 ACOs/model, 7280 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 476.73 Summ. Sq. Viol. : 1277.53 Max. Viol. : 6.976 Avg. Viol. : 0.06549 RMS Viol. : 0.41891 Std. Dev. Viol. : 0.41376