1-> [ARG A 5] PHI -156.2 -96.2 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.6 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 - 4 [ 0.0 .. 2.2] 2-> [ARG A 5] PSI 119.8 179.8 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 1.5 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5] 4-> [TYR A 6] PSI 99.9 159.9 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.1] 5-> [ILE A 7] PHI -140.2 -80.2 0.0 0.0 2.9 1.8 1.8 4.2 1.3 2.7 2.7 0.0 0.0 0.0 2.6 1.4 0.0 1.2 0.3 2.9 1.9 0.0 - 13 [ 0.0 .. 4.2] 7-> [THR A 8] PHI -139.8 -79.8 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 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5] 11-> [MET A 10] PSI 125.2 -174.8 0.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 3.4] 18-> [GLU A 14] PHI -95.4 -35.4 0.0 2.4 1.3 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 - 4 [ 0.0 .. 2.4] 23-> [SER A 16] PSI -41.0 19.0 0.0 0.0 0.0 2.0 1.6 0.0 0.0 0.0 3.0 0.0 0.0 2.1 1.0 0.0 0.2 0.3 0.0 0.0 1.4 0.0 - 8 [ 0.0 .. 3.0] 28-> [PHE A 20] PHI -148.9 -89.0 2.9 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 - 1 [ 0.0 .. 2.9] 29-> [PHE A 20] PSI 104.4 164.4 2.3 0.0 0.0 1.8 0.0 0.0 0.9 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 - 4 [ 0.0 .. 2.3] 30-> [MET A 21] PHI -128.3 -68.3 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.5] 33-> [PRO A 24] PSI 114.1 174.1 0.0 0.0 0.0 2.2 3.4 0.0 1.7 0.8 3.7 0.0 0.0 1.2 2.4 0.5 0.0 0.7 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 3.7] 36-> [GLN A 26] PHI -142.6 -82.6 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.3 0.0 - 3 [ 0.0 .. 5.3] 37-> [GLN A 26] PSI 101.1 161.1 0.0 0.0 0.0 0.0 2.3 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 - 2 [ 0.0 .. 2.3] 39-> [LYS A 27] PSI 100.3 160.3 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 2.3 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3] 40-> [VAL A 28] PHI -138.1 -78.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 2.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.7] 45-> [LEU A 32] PSI 115.6 175.6 0.8 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 3.7 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.7] 46-> [CYS A 33] PHI -144.3 -84.3 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 1.3 0.2 0.0 0.0 1.0 0.0 - 5 [ 0.0 .. 1.3] 50-> [ARG A 35] PHI -154.6 -94.6 0.5 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 1.8 0.0 - 2 [ 0.0 .. 1.8] 51-> [ARG A 35] PSI 121.6 -178.4 3.2 0.0 1.0 0.6 1.6 1.7 0.3 1.1 0.0 0.0 3.1 0.0 1.8 3.4 3.1 4.8 0.0 0.0 0.0 1.9 - 13 [ 0.0 .. 4.8] 53-> [ILE A 36] PSI 123.5 -176.5 1.6 0.0 0.0 0.0 0.0 0.0 0.6 0.0 0.8 0.6 1.2 0.0 1.4 0.0 0.0 3.4 1.9 1.5 0.0 0.0 - 9 [ 0.0 .. 3.4] 56-> [GLN A 38] PHI -99.7 -39.7 0.0 3.7 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 0.0 - 1 [ 0.0 .. 3.7] 58-> [ILE A 40] PHI -131.4 -71.4 0.8 0.0 0.4 0.0 1.5 0.0 0.7 0.2 0.0 0.0 0.0 1.5 0.2 0.0 1.2 0.1 0.0 0.0 0.0 0.0 - 10 [ 0.0 .. 1.5] 71-> [LEU A 47] PSI 105.5 165.5 2.1 1.4 1.8 1.6 1.1 2.0 0.0 2.7 3.0 2.5 0.0 0.6 0.0 0.8 0.9 1.7 2.9 1.2 0.7 0.4 - 17 [ 0.0 .. 3.0] 80-> [SER A 52] PHI -146.7 -86.7 0.0 0.0 0.0 0.4 0.0 0.4 0.2 0.8 0.3 1.6 0.4 0.0 1.1 0.4 0.0 0.6 0.0 1.3 0.0 0.2 - 12 [ 0.0 .. 1.6] 87-> [ARG A 57] PSI 118.6 178.6 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 0.0 - 1 [ 0.0 .. 1.3] 91-> [THR A 60] PSI 123.1 -176.9 0.0 0.0 2.2 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 - 1 [ 0.0 .. 2.2] 104-> [PHE A 67] PHI -148.0 -88.0 0.0 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 0.0 0.0 - 1 [ 0.0 .. 2.3] 111-> [GLU A 70] PSI -28.8 31.2 1.4 0.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2 1.5 0.6 0.7 0.0 0.0 0.5 0.0 - 7 [ 0.0 .. 1.5] 118-> [GLU A 76] PHI -164.0 -104.0 0.0 2.1 3.8 1.5 0.0 0.8 3.4 1.2 1.7 0.0 2.6 0.0 0.0 3.6 2.7 4.2 0.0 4.3 1.6 2.0 - 15 [ 0.0 .. 4.3] 121-> [ILE A 77] PSI 104.2 164.2 0.4 0.0 0.0 1.4 0.5 0.0 1.2 1.5 0.0 1.2 0.0 0.0 1.5 0.0 0.6 0.1 1.3 0.0 0.0 0.0 - 11 [ 0.0 .. 1.5] 123-> [SER A 78] PSI 107.6 167.6 0.0 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 - 1 [ 0.0 .. 1.2] 124-> [PRO A 79] PSI 116.7 176.7 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 3.1 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.1] 127-> [PHE A 83] PHI -132.1 -72.1 0.0 0.0 0.0 0.0 0.0 0.4 0.0 1.3 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 2.3 - 5 [ 0.0 .. 2.3] 129-> [HIS A 86] PHI -149.3 -89.3 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 2.8 0.0 0.0 3.5 1.3 2.1 0.0 2.8 2.8 0.0 0.0 0.5 - 8 [ 0.0 .. 3.8] 130-> [HIS A 86] PSI 127.8 -172.2 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 2.3 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3] 168-> [ASP A 106] PSI 5.4 65.4 1.8 0.0 0.0 2.2 1.8 0.6 0.4 0.0 0.0 2.0 0.0 0.0 0.0 0.9 0.4 0.0 0.3 1.9 0.0 0.0 - 10 [ 0.0 .. 2.2] 169-> [THR A 108] PHI -140.9 -80.9 0.0 0.0 0.0 1.3 3.9 2.4 0.0 0.0 0.0 0.0 0.0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 1.1 1.1 - 6 [ 0.0 .. 3.9] 170-> [THR A 108] PSI 103.0 163.0 2.0 0.0 0.5 0.6 0.0 0.0 2.7 0.0 3.8 0.0 2.2 0.2 0.0 0.0 1.1 0.4 0.0 1.5 0.0 0.0 - 11 [ 0.0 .. 3.8] 172-> [VAL A 109] PSI 92.1 152.1 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.8] 174-> [ARG A 110] PSI 126.3 -173.7 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.2] 175-> [VAL A 111] PHI -143.8 -83.8 0.0 0.0 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.4] 187-> [ARG A 117] PHI -100.5 -40.5 0.0 0.0 1.7 3.6 0.0 0.7 0.0 0.0 1.7 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 3.6] 188-> [ARG A 117] PSI -71.2 -11.2 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 2.0 0.0 - 1 [ 0.0 .. 2.0] 191-> [ALA A 119] PHI -120.3 -60.3 0.0 1.4 0.0 0.8 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 3.1 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 3.1] 192-> [ALA A 119] PSI -60.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.6 0.0 1.5 1.6 0.0 0.0 0.7 2.5 0.0 - 7 [ 0.0 .. 2.5] 197-> [LYS A 92] CHI2 160.0 -160.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7] 202-> [TRP A 120] CHI1 160.0 -160.0 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 0.0 0.5 - 2 [ 0.0 .. 1.1] ---- 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 : 9 7 7 13 11 7 6 7 11 5 7 7 8 8 8 9 6 7 8 4 7.75 > 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 : 17 7 11 17 14 16 13 12 16 9 14 10 12 16 16 19 12 11 11 12 13.25 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 : 3.2 3.7 3.8 3.8 3.9 4.2 3.4 2.7 5.3 2.7 3.1 3.5 2.6 3.6 3.1 4.8 2.9 4.3 2.5 2.3 5.34 Max PHI Viol : 2.9 3.7 3.8 3.8 3.9 4.2 3.4 2.7 5.3 2.7 2.6 3.5 2.6 3.6 3.1 4.2 2.8 4.3 2.3 2.3 5.34 Max PSI Viol : 3.2 1.6 2.2 2.2 3.4 3.4 2.7 2.7 3.8 2.5 3.1 2.1 2.4 3.4 3.1 4.8 2.9 1.9 2.5 1.9 4.77 Max CHI1 Viol : 0.0 0.0 0.0 1.1 0.6 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 0.5 1.09 Max CHI2 Viol : 0.3 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.65 Average Violation : 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.1 0.0 0.095 Avge PHI Viol : 0.224 0.350 0.327 0.372 0.273 0.358 0.284 0.307 0.451 0.232 0.285 0.318 0.235 0.322 0.325 0.319 0.238 0.324 0.318 0.260 0.311 Avge PSI Viol : 0.418 0.177 0.264 0.359 0.405 0.336 0.289 0.253 0.398 0.265 0.303 0.266 0.315 0.328 0.340 0.470 0.338 0.268 0.271 0.162 0.320 Avge CHI1 Viol : 0.000 0.000 0.000 0.522 0.377 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.343 0.163 Avge CHI2 Viol : 0.220 0.000 0.000 0.524 0.000 0.000 0.000 0.000 0.000 0.283 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.142 RMS Violation : 0.462 0.416 0.439 0.550 0.504 0.541 0.396 0.359 0.720 0.339 0.390 0.425 0.352 0.455 0.448 0.678 0.407 0.445 0.383 0.269 0.461 RMS PHI Viol : 0.317 0.564 0.544 0.608 0.462 0.565 0.438 0.390 0.774 0.335 0.374 0.516 0.316 0.484 0.477 0.543 0.314 0.557 0.419 0.335 0.481 RMS PSI Viol : 0.593 0.219 0.334 0.477 0.566 0.547 0.374 0.348 0.705 0.358 0.427 0.340 0.402 0.451 0.444 0.824 0.503 0.328 0.368 0.196 0.465 RMS CHI1 Viol : 0.000 0.000 0.000 0.545 0.284 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.235 0.147 RMS CHI2 Viol : 0.119 0.000 0.000 0.674 0.000 0.000 0.000 0.000 0.000 0.197 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.159 Final --global-- Summary for 20 models, 203 ACOs/model, 4060 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 386.60 Summ. Sq. Viol. : 863.82 Max. Viol. : 5.335 Avg. Viol. : 0.09522 RMS Viol. : 0.46126 Std. Dev. Viol. : 0.45133