3-> [TYR A 3] PHI -144.7 -84.7 0.0 1.3 0.0 0.0 1.4 0.1 0.0 0.0 0.8 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.4] 33-> [PHE A 29] PHI -163.5 -103.5 0.0 0.0 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.0] 44-> [LYS A 40] PSI 108.8 168.8 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.5] 53-> [GLY A 49] PHI 108.9 168.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 1.1 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.1] 54-> [GLY A 49] PSI 119.3 179.3 0.5 2.0 0.0 1.5 0.9 2.4 0.0 1.2 1.0 1.2 1.8 2.4 0.3 1.7 2.3 0.0 1.7 1.8 0.0 0.9 - 16 [ 0.0 .. 2.4] 96-> [GLU A 84] PSI 126.6 -173.4 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.7 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 1.5 - 4 [ 0.0 .. 1.5] 98-> [ILE A 85] PSI 105.1 165.1 0.8 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 0.7 0.0 0.0 0.2 0.0 0.0 - 4 [ 0.0 .. 1.3] 118-> [GLN A 78] CHI2 160.0 -160.0 0.0 0.0 0.0 2.4 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 - 1 [ 0.0 .. 2.4] 120-> [TYR A 75] CHI2 70.0 110.0 0.0 0.0 0.0 0.0 0.0 0.0 154.0 0.0 0.0 0.0 0.0 0.0 0.0 153.6 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 154.0] 121-> [ASN A 57] PSI -175.0 -135.0 0.8 0.7 0.0 0.0 0.0 0.7 0.9 2.5 0.0 1.5 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 2.4 6.7 - 9 [ 0.0 .. 6.7] ---- 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 : 0 2 0 2 1 1 0 3 1 2 2 2 0 2 2 0 1 1 1 2 1.25 > 10. degrees : 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0.10 Total : 6 9 3 8 7 7 7 6 9 6 2 3 3 6 7 7 1 3 6 11 5.85 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 : 0.8 2.0 0.6 2.4 1.4 2.4 154.0 2.5 1.5 1.5 1.8 2.4 0.8 153.6 2.3 0.7 1.7 1.8 2.4 6.7 153.98 Max PHI Viol : 0.0 1.3 0.6 0.5 1.4 0.5 0.4 1.0 1.0 0.5 0.0 1.1 0.8 0.1 0.5 0.5 0.0 0.0 0.8 0.8 1.42 Max PSI Viol : 0.8 2.0 0.4 1.5 0.9 2.4 0.9 2.5 1.5 1.5 1.8 2.4 0.3 1.7 2.3 0.7 1.7 1.8 2.4 6.7 6.70 Max CHI1 Viol : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00 Max CHI2 Viol : 0.0 0.0 0.0 2.4 0.0 0.0 154.0 0.0 0.0 0.0 0.0 0.0 0.0 153.6 0.0 0.0 0.0 0.0 0.0 0.0 153.98 Average Violation : 0.0 0.1 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 0.0 0.0 0.1 0.158 Avge PHI Viol : 0.024 0.185 0.098 0.107 0.219 0.105 0.135 0.154 0.209 0.119 0.000 0.153 0.119 0.034 0.094 0.123 0.000 0.000 0.174 0.186 0.131 Avge PSI Viol : 0.215 0.270 0.097 0.221 0.189 0.251 0.162 0.264 0.242 0.276 0.227 0.201 0.067 0.263 0.302 0.209 0.170 0.202 0.237 0.417 0.235 Avge CHI1 Viol : 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 0.000 0.000 0.000 0.000 0.000 0.000 0.000 Avge CHI2 Viol : 0.000 0.000 0.000 0.771 0.000 0.000 6.205 0.000 0.000 0.000 0.000 0.000 0.000 6.196 0.000 0.000 0.000 0.000 0.000 0.000 1.968 RMS Violation : 0.116 0.248 0.062 0.268 0.188 0.232 13.773 0.267 0.214 0.211 0.195 0.235 0.072 13.736 0.257 0.121 0.153 0.164 0.245 0.631 4.356 RMS PHI Viol : 0.004 0.187 0.073 0.072 0.231 0.070 0.080 0.140 0.178 0.077 0.000 0.144 0.099 0.009 0.060 0.083 0.000 0.000 0.138 0.146 0.111 RMS PSI Viol : 0.168 0.310 0.055 0.226 0.151 0.330 0.131 0.363 0.256 0.298 0.284 0.311 0.035 0.294 0.369 0.156 0.223 0.239 0.329 0.908 0.322 RMS CHI1 Viol : 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 0.000 0.000 0.000 0.000 0.000 0.000 0.000 RMS CHI2 Viol : 0.000 0.000 0.000 1.190 0.000 0.000 76.992 0.000 0.000 0.000 0.000 0.000 0.000 76.778 0.000 0.000 0.000 0.000 0.000 0.000 24.315 Final --global-- Summary for 20 models, 125 ACOs/model, 2500 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 395.05 Summ. Sq. Viol. : 47433.47 Max. Viol. : 153.985 Avg. Viol. : 0.15802 RMS Viol. : 4.35585 Std. Dev. Viol. : 4.35298