21-> [LYS A 13] PHI -87.3 -47.3 1.6 0.9 0.9 0.0 0.0 0.0 0.0 0.0 0.9 0.0 3.1 2.8 0.1 1.0 0.0 0.0 0.0 0.0 0.0 0.7 - 9 [ 0.0 .. 3.1] 22-> [LYS A 13] PSI -52.8 -12.8 0.0 1.1 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.6 0.0 1.0 0.0 0.0 0.0 0.0 0.7 0.0 - 6 [ 0.0 .. 1.1] 23-> [TYR A 14] PHI -144.7 -84.7 0.0 0.0 0.5 2.3 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 - 2 [ 0.0 .. 2.3] 24-> [TYR A 14] PSI -20.7 39.3 0.0 1.0 1.4 0.0 0.0 0.1 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.4] 28-> [LYS A 17] PSI 95.4 155.4 0.0 0.0 1.3 0.0 0.0 0.0 0.0 1.9 2.3 0.0 0.6 0.0 1.4 0.0 2.3 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 2.3] 33-> [HIS A 20] PHI -146.5 -86.5 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 0.0 0.0 0.0 1.1 - 1 [ 0.0 .. 1.1] 34-> [HIS A 20] PSI 87.7 147.7 1.7 1.4 1.8 1.2 2.1 0.9 1.6 2.6 1.5 0.0 1.6 1.3 1.9 0.0 2.3 0.8 2.4 2.4 2.3 0.0 - 17 [ 0.0 .. 2.6] 54-> [ARG A 32] PSI 132.2 -167.8 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.6] 55-> [HIS A 33] PHI -99.4 -39.4 0.2 0.0 0.7 1.2 0.0 3.9 1.4 0.7 0.5 1.4 0.6 3.5 0.0 0.8 0.0 1.6 1.5 0.6 0.0 0.0 - 14 [ 0.0 .. 3.9] 57-> [SER A 34] PHI -101.6 -41.6 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3] 58-> [SER A 34] PSI -49.8 10.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1] 60-> [ASP A 35] PSI -43.4 16.6 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 2.2 - 5 [ 0.0 .. 2.2] 61-> [ASN A 36] PHI -121.8 -61.8 0.0 0.0 0.0 0.0 0.7 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 3.8 - 3 [ 0.0 .. 3.8] 62-> [ASN A 36] PSI -30.0 30.0 0.9 1.8 0.2 0.0 0.0 0.0 0.0 1.8 0.0 0.2 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 - 8 [ 0.0 .. 1.8] 63-> [TYR A 40] PHI -158.3 -98.3 0.2 0.0 0.0 0.0 0.0 1.3 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 - 3 [ 0.0 .. 1.9] 64-> [TYR A 40] PSI 126.4 -173.6 7.3 0.0 0.0 0.1 0.0 6.5 5.0 3.7 1.2 7.5 0.7 5.6 0.2 7.6 0.0 0.5 0.7 0.0 3.1 2.1 - 15 [ 0.0 .. 7.6] 65-> [ALA A 41] PHI -150.3 -90.3 7.2 0.6 0.7 1.8 0.9 6.5 4.3 4.5 1.3 6.8 1.1 5.7 0.5 7.3 1.0 0.0 1.6 0.0 3.5 3.3 - 18 [ 0.0 .. 7.3] 66-> [ALA A 41] PSI 105.9 165.9 0.5 0.0 0.2 0.0 0.3 0.5 1.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 - 7 [ 0.0 .. 1.0] 76-> [ILE A 46] PSI 82.0 142.0 3.3 4.5 3.6 3.8 4.0 4.7 5.0 2.8 3.8 4.2 4.0 4.2 5.3 3.5 3.6 3.0 3.8 3.6 4.3 5.0 - 20 [ 2.8 .. 5.3] 77-> [PRO A 47] PHI -106.6 -46.6 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 1.3 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.3] 80-> [ALA A 48] PSI -61.2 -21.2 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.3 1.4 0.3 0.0 0.1 0.0 0.0 0.2 0.0 0.0 0.3 1.0 - 8 [ 0.0 .. 1.4] 82-> [GLU A 49] PSI -55.0 -15.0 0.7 0.0 0.3 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5] 93-> [ASP A 60] PHI -149.5 -89.5 0.0 0.0 0.7 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 0.0 0.0 0.0 - 2 [ 0.0 .. 1.3] 114-> [GLY A 72] PSI -55.8 -15.8 0.0 0.0 0.0 0.0 0.7 0.0 0.0 1.1 0.4 0.0 0.0 0.0 0.0 1.2 0.4 0.0 0.0 1.1 0.0 0.0 - 6 [ 0.0 .. 1.2] 116-> [SER A 73] PSI -59.1 -19.1 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 1.4 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.5] 117-> [LEU A 74] PHI -84.8 -44.8 0.0 0.7 0.0 2.2 0.0 0.2 0.0 1.5 1.7 0.0 0.1 0.0 0.0 3.5 0.6 0.0 0.0 0.0 1.0 0.0 - 9 [ 0.0 .. 3.5] 118-> [LEU A 74] PSI -64.1 -24.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 1.0 0.0 0.0 - 3 [ 0.0 .. 2.5] 121-> [LYS A 76] PHI -109.7 -69.7 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.7 - 3 [ 0.0 .. 1.9] 122-> [LYS A 76] PSI -31.0 9.0 1.9 0.0 0.5 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.9] 129-> [TYR A 81] PHI -123.5 -63.5 0.0 0.4 0.0 0.0 0.0 0.0 0.6 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 - 3 [ 0.0 .. 1.1] 130-> [TYR A 81] PSI 97.6 157.6 0.0 0.0 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 - 1 [ 0.0 .. 3.6] 133-> [TRP A 91] PHI -155.2 -95.2 0.0 0.0 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 - 1 [ 0.0 .. 1.3] 168-> [GLN A 114] PSI -62.4 -22.4 0.0 0.0 0.0 0.0 0.0 1.8 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 .. 1.8] 170-> [LEU A 115] PSI -54.3 -14.3 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 1.1 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.1] 171-> [THR A 116] PHI -129.4 -89.4 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 - 3 [ 0.0 .. 1.4] 172-> [THR A 116] PSI -26.3 13.7 1.5 0.8 1.0 1.0 0.0 3.1 0.0 0.2 0.8 0.0 1.3 0.0 1.3 1.2 0.6 1.0 0.0 1.1 1.8 0.0 - 14 [ 0.0 .. 3.1] ---- 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 4 5 7 6 10 7 11 6 7 5 10 4 8 6 4 4 4 5 6 6.30 > 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 : 15 13 16 8 12 18 11 16 13 9 14 16 13 15 9 13 7 6 11 16 12.55 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 : 7.3 4.5 3.6 3.8 4.0 6.5 5.0 4.5 3.8 7.5 4.0 5.7 5.3 7.6 3.6 3.0 3.8 3.6 4.3 5.0 7.62 Max PHI Viol : 7.2 0.9 0.9 2.3 1.9 6.5 4.3 4.5 1.7 6.8 3.1 5.7 0.5 7.3 1.8 1.6 1.6 0.6 3.5 3.8 7.29 Max PSI Viol : 7.3 4.5 3.6 3.8 4.0 6.5 5.0 3.7 3.8 7.5 4.0 5.6 5.3 7.6 3.6 3.0 3.8 3.6 4.3 5.0 7.62 Average Violation : 0.2 0.1 0.1 0.1 0.1 0.2 0.1 0.2 0.1 0.1 0.1 0.2 0.1 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.113 Avge PHI Viol : 0.329 0.195 0.212 0.296 0.213 0.403 0.271 0.309 0.232 0.366 0.260 0.430 0.141 0.403 0.200 0.196 0.190 0.085 0.243 0.355 0.281 Avge PSI Viol : 0.456 0.348 0.352 0.268 0.375 0.529 0.406 0.469 0.356 0.403 0.344 0.422 0.358 0.447 0.358 0.303 0.300 0.326 0.380 0.386 0.384 RMS Violation : 0.864 0.417 0.373 0.431 0.440 0.961 0.666 0.638 0.418 0.871 0.446 0.808 0.463 0.920 0.432 0.318 0.389 0.359 0.542 0.617 0.604 RMS PHI Viol : 0.792 0.155 0.179 0.416 0.243 0.847 0.487 0.537 0.257 0.793 0.373 0.810 0.092 0.893 0.234 0.219 0.237 0.067 0.396 0.575 0.505 RMS PSI Viol : 0.931 0.570 0.497 0.446 0.573 1.063 0.805 0.725 0.532 0.941 0.508 0.807 0.648 0.946 0.564 0.393 0.497 0.503 0.656 0.657 0.689 Final --global-- Summary for 20 models, 172 ACOs/model, 3440 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 390.29 Summ. Sq. Viol. : 1255.72 Max. Viol. : 7.619 Avg. Viol. : 0.11346 RMS Viol. : 0.60418 Std. Dev. Viol. : 0.59343