1-> [THR A 8] PHI -132.1 -73.1 1.1 0.0 0.0 0.3 0.0 0.0 1.8 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.8] 2-> [THR A 8] PSI 119.2 160.8 0.9 0.0 0.0 0.0 0.7 0.1 1.1 1.0 0.8 0.0 0.0 0.0 0.0 0.0 3.0 2.0 0.3 0.0 0.0 1.9 - 10 [ 0.0 .. 3.0] 4-> [PHE A 9] PSI 120.2 -169.2 0.0 1.6 0.0 0.0 0.0 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 0.0 0.3 - 3 [ 0.0 .. 1.6] 6-> [GLU A 10] PSI 113.1 153.1 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.3 1.5 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5] 21-> [ASN A 21] PHI -114.8 -74.8 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 0.0 0.1 0.0 2.7 0.0 0.6 0.0 - 4 [ 0.0 .. 2.7] 22-> [ASN A 21] PSI 125.8 -143.0 0.0 2.5 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.7 0.0 0.0 - 4 [ 0.0 .. 2.6] 25-> [THR A 26] PHI -152.6 -87.4 1.6 1.8 0.0 0.4 0.0 0.1 0.0 0.5 0.0 0.0 1.7 1.5 2.0 1.6 1.2 0.0 0.2 0.0 0.0 0.8 - 12 [ 0.0 .. 2.0] 26-> [THR A 26] PSI 139.9 -178.3 3.2 2.5 1.5 1.7 1.5 2.4 2.5 0.1 1.8 1.6 3.5 2.7 1.7 1.7 2.1 2.2 2.9 2.2 3.2 2.2 - 20 [ 0.1 .. 3.5] 42-> [PHE A 34] PSI 83.9 154.1 0.0 1.6 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 1.6 - 2 [ 0.0 .. 1.6] 46-> [PHE A 41] PSI 115.4 168.6 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.5 0.0 0.0 0.0 2.5 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 2.5] 51-> [ARG A 44] PHI -163.1 -112.7 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.9] 54-> [ALA A 45] PSI 101.6 164.0 0.0 0.0 2.1 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 0.0 0.0 - 1 [ 0.0 .. 2.1] 55-> [TRP A 46] PHI -156.7 -108.7 1.2 0.0 0.0 0.0 0.0 0.6 0.4 0.7 0.0 0.9 0.0 0.6 0.1 0.7 0.9 0.0 2.0 0.1 0.2 0.0 - 12 [ 0.0 .. 2.0] 57-> [ILE A 57] PHI -161.5 -121.5 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.0] 76-> [MET A 67] PSI -66.0 -26.0 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 0.0 - 1 [ 0.0 .. 1.4] 87-> [THR B 8] PHI -132.1 -73.1 0.0 0.0 0.0 0.4 0.4 0.0 1.1 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 - 6 [ 0.0 .. 1.1] 88-> [THR B 8] PSI 119.2 160.8 0.0 0.6 0.0 0.0 0.0 0.0 0.6 0.0 1.1 1.2 0.0 0.0 0.0 0.5 0.0 0.0 1.5 0.0 0.0 0.5 - 7 [ 0.0 .. 1.5] 94-> [ILE B 11] PSI 91.8 142.4 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 0.0 - 1 [ 0.0 .. 1.4] 99-> [LEU B 16] PHI -172.8 -132.8 0.3 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 0.4 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.5] 106-> [GLU B 20] PSI 104.3 147.9 0.0 0.0 0.0 0.7 0.0 1.7 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.7] 107-> [ASN B 21] PHI -114.8 -74.8 0.2 0.2 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 1.4 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 2.0] 108-> [ASN B 21] PSI 125.8 -143.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 2.1 0.0 0.0 0.0 - 3 [ 0.0 .. 2.1] 111-> [THR B 26] PHI -152.6 -87.4 0.0 0.0 0.0 0.0 0.0 0.2 2.0 0.0 0.4 0.7 0.9 0.0 0.8 2.3 1.3 1.2 1.2 0.0 0.0 0.4 - 11 [ 0.0 .. 2.3] 112-> [THR B 26] PSI 139.9 -178.3 3.2 2.0 0.8 4.2 3.4 2.7 2.4 1.9 1.2 1.9 1.6 1.1 0.0 2.4 2.6 2.6 0.0 1.5 2.2 0.7 - 18 [ 0.0 .. 4.2] 114-> [LYS B 27] PSI 116.3 166.1 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.7 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.3 0.0 - 4 [ 0.0 .. 2.6] 126-> [SER B 33] PSI 102.5 146.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.5] 132-> [PHE B 41] PSI 115.4 168.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 1.1 0.0 1.6 0.6 0.0 1.4 1.3 0.0 0.0 - 7 [ 0.0 .. 1.6] 135-> [ILE B 43] PHI -147.1 -91.3 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1] 136-> [ILE B 43] PSI 104.9 147.3 1.3 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.6 0.0 1.3 0.0 0.3 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.5] 141-> [TRP B 46] PHI -156.7 -108.7 1.5 0.9 0.5 1.3 0.2 0.0 0.0 0.0 0.1 1.4 0.7 0.0 0.0 0.4 0.3 0.0 0.7 2.2 0.5 1.0 - 14 [ 0.0 .. 2.2] 142-> [TRP B 46] PSI 125.7 -172.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.2 0.0 0.0 - 3 [ 0.0 .. 1.1] 143-> [ILE B 57] PHI -161.5 -121.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1] 152-> [GLU B 62] PSI -60.4 -20.4 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] 164-> [VAL B 68] PSI -61.4 -19.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.6 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.6] ---- 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 7 2 6 2 3 6 1 6 7 5 9 5 7 5 6 7 4 2 3 5.00 > 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 16 7 14 10 14 12 7 15 11 15 15 13 12 12 11 18 11 10 12 12.50 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 2.5 2.1 4.2 3.4 2.7 2.5 1.9 1.8 2.6 3.5 2.7 2.6 2.4 3.0 2.6 2.9 2.2 3.2 2.2 4.24 Max PHI Viol : 1.6 1.9 0.5 1.3 0.9 0.6 2.0 0.7 1.5 1.4 1.7 2.0 2.0 2.3 1.3 1.2 2.7 2.2 0.6 1.0 2.66 Max PSI Viol : 3.2 2.5 2.1 4.2 3.4 2.7 2.5 1.9 1.8 2.6 3.5 2.7 2.6 2.4 3.0 2.6 2.9 2.2 3.2 2.2 4.24 Average Violation : 0.1 0.1 0.0 0.1 0.0 0.1 0.1 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.1 0.074 Avge PHI Viol : 0.290 0.269 0.090 0.201 0.153 0.152 0.282 0.118 0.212 0.185 0.284 0.269 0.205 0.244 0.221 0.147 0.321 0.164 0.122 0.158 0.214 Avge PSI Viol : 0.321 0.367 0.240 0.366 0.276 0.318 0.299 0.190 0.326 0.365 0.292 0.330 0.324 0.342 0.317 0.404 0.340 0.318 0.286 0.311 0.320 RMS Violation : 0.426 0.422 0.215 0.425 0.304 0.322 0.377 0.174 0.292 0.362 0.379 0.364 0.335 0.384 0.380 0.430 0.437 0.306 0.311 0.285 0.354 RMS PHI Viol : 0.307 0.311 0.055 0.198 0.121 0.109 0.340 0.093 0.198 0.191 0.323 0.322 0.243 0.315 0.218 0.137 0.406 0.236 0.084 0.143 0.239 RMS PSI Viol : 0.519 0.510 0.299 0.568 0.412 0.443 0.410 0.228 0.363 0.475 0.429 0.402 0.407 0.442 0.492 0.592 0.465 0.362 0.432 0.377 0.439 Final --global-- Summary for 20 models, 172 ACOs/model, 3440 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 254.90 Summ. Sq. Viol. : 430.10 Max. Viol. : 4.245 Avg. Viol. : 0.07410 RMS Viol. : 0.35359 Std. Dev. Viol. : 0.34574