6-> [GLU A 31] PSI -53.0 -33.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 2.5 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 2.3 0.0 0.1 - 7 [ 0.0 .. 2.5] 12-> [LYS A 34] PSI -51.0 -27.0 0.0 0.0 1.1 0.3 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 1.8 0.9 0.0 0.3 0.0 - 7 [ 0.0 .. 1.8] 25-> [SER A 41] PHI -75.0 -55.0 1.2 0.8 1.5 0.3 1.6 0.0 1.3 0.9 0.2 0.3 2.5 1.2 0.6 0.3 0.9 0.0 0.3 2.2 0.6 1.4 - 18 [ 0.0 .. 2.5] 26-> [SER A 41] PSI -63.0 -19.0 1.9 2.8 0.9 0.0 1.8 0.0 0.0 0.2 2.6 1.1 0.1 0.8 0.0 0.0 1.5 1.2 0.7 0.0 0.0 0.8 - 14 [ 0.0 .. 2.8] 33-> [GLN A 53] PHI -75.0 -53.0 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 0.0 0.0 1.8 0.0 - 3 [ 0.0 .. 1.8] 38-> [ARG A 55] PSI -55.0 -35.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 1.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.8] 65-> [ALA A 75] PHI -89.0 -65.0 0.0 0.4 2.0 0.4 0.0 0.3 2.1 0.0 0.0 1.0 0.0 0.5 1.8 2.3 1.1 0.0 0.0 1.5 0.0 0.8 - 13 [ 0.0 .. 2.3] 68-> [MET A 77] PSI -53.0 -31.0 0.0 0.9 0.0 0.2 0.0 2.3 0.9 0.2 0.0 0.7 0.0 0.8 1.5 0.3 1.2 1.7 1.6 0.2 0.4 0.0 - 14 [ 0.0 .. 2.3] 70-> [ASN A 78] PSI -11.0 39.0 1.7 0.0 0.9 0.0 0.0 1.5 0.0 0.0 1.6 1.0 3.8 0.0 0.1 2.0 0.0 0.4 2.7 1.2 0.7 2.3 - 13 [ 0.0 .. 3.8] 72-> [GLN A 85] PSI -49.0 -21.0 1.5 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 2.1 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 2.1] 80-> [SER A 89] PSI -49.0 -9.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.0] 84-> [ALA A 91] PSI -35.0 21.0 1.7 0.0 1.3 0.1 0.0 0.0 0.0 0.0 1.7 1.8 0.0 0.6 0.0 2.3 0.0 0.0 0.0 0.0 1.5 1.3 - 9 [ 0.0 .. 2.3] 96-> [LYS A 98] PSI -49.0 -29.0 0.4 0.2 1.1 0.3 0.3 0.0 0.0 0.0 1.7 2.2 0.0 0.2 0.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 9 [ 0.0 .. 2.2] 100-> [GLN A 100] PSI -25.0 9.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.1 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.8 1.2 1.7 - 6 [ 0.0 .. 2.0] 102-> [VAL A 111] PSI -56.0 -20.0 0.0 0.0 0.0 0.3 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 - 2 [ 0.0 .. 1.1] 104-> [MET A 112] PSI -51.0 -23.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 1.3 0.0 - 3 [ 0.0 .. 1.9] 118-> [LEU A 22] PSI -45.0 -155.0 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5] 156-> [ARG A 32] CHI1 155.0 75.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.3 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 .. 1.5] 162-> [HIS A 35] CHI1 155.0 85.0 0.0 0.0 1.4 0.9 0.0 3.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 3.3 2.7 1.3 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 3.3] 210-> [ILE A 49] CHI21 -65.0 -165.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.9 1.8 1.4 0.0 0.5 0.0 1.0 0.0 0.0 0.0 0.8 - 7 [ 0.0 .. 1.8] 229-> [PHE A 57] CHI2 -105.0 -65.0 0.0 0.0 0.0 0.0 154.0 0.0 146.4 0.0 151.6 150.4 151.2 152.5 0.0 153.9 0.0 150.0 0.0 0.0 144.0 0.0 - 9 [ 0.0 .. 154.0] 232-> [PHE A 58] CHI2 25.0 -25.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 1.5 0.0 0.0 0.0 1.2 0.0 1.4 0.0 0.0 0.0 0.0 0.0 1.8 - 5 [ 0.0 .. 1.8] 247-> [LEU A 63] PSI 145.0 85.0 0.8 0.0 1.5 0.1 1.2 0.5 0.0 2.4 0.0 1.2 0.0 0.1 0.0 1.1 0.7 0.0 0.0 0.6 0.0 1.2 - 12 [ 0.0 .. 2.4] 260-> [GLN A 70] CHI1 155.0 -95.0 0.0 0.0 0.0 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 1.8 0.0 0.0 - 3 [ 0.0 .. 1.8] 263-> [ILE A 71] CHI1 -75.0 -35.0 0.0 0.7 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 1.5 0.0 0.0 0.0 - 3 [ 0.0 .. 1.5] 274-> [ASP A 76] CHI1 145.0 55.0 0.0 0.0 0.0 1.4 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 2.0 0.7 2.5 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 2.5] 281-> [ASN A 79] PHI 45.0 -45.0 0.0 0.0 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 0.1 0.0 0.0 0.0 - 2 [ 0.0 .. 2.1] 285-> [ASN A 79] CHI2 -145.0 145.0 0.2 0.1 0.0 0.6 1.7 1.3 0.1 1.0 1.4 0.2 1.5 0.3 1.4 0.2 1.2 0.2 0.0 0.2 0.7 1.9 - 18 [ 0.0 .. 1.9] 300-> [MET A 83] PHI 45.0 -45.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.1 - 2 [ 0.0 .. 1.9] 303-> [MET A 83] CHI1 155.0 95.0 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 0.0 - 1 [ 0.0 .. 1.3] 343-> [LYS A 96] CHI1 155.0 -85.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 2.8 0.0 0.0 0.0 - 2 [ 0.0 .. 3.2] 379-> [LEU A 104] PSI 55.0 165.0 0.0 0.4 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 0.0 - 2 [ 0.0 .. 2.1] 380-> [LEU A 104] PSI 145.0 85.0 0.0 0.0 2.4 0.0 0.1 0.0 1.2 0.0 0.0 0.3 0.0 2.9 0.0 0.8 0.3 0.0 3.4 0.0 0.0 0.0 - 8 [ 0.0 .. 3.4] 381-> [PRO A 105] PSI 125.0 -165.0 0.0 1.0 0.0 1.8 0.0 1.4 0.0 0.0 0.6 0.2 0.0 1.3 0.3 0.0 0.0 1.3 2.0 2.8 0.0 0.0 - 10 [ 0.0 .. 2.8] 396-> [LEU A 108] PSI 145.0 85.0 0.0 0.0 0.4 0.0 0.9 0.0 0.0 0.0 0.0 5.5 0.0 0.4 0.6 0.0 3.5 0.0 1.5 1.4 0.0 5.8 - 9 [ 0.0 .. 5.8] 397-> [PRO A 109] PSI 155.0 175.0 3.4 2.2 2.7 2.6 1.6 1.4 3.0 1.2 1.4 2.9 2.2 2.8 3.1 2.7 4.1 1.2 1.5 2.7 2.5 4.8 - 20 [ 1.2 .. 4.8] ---- 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 : 6 3 12 4 9 9 4 6 6 10 7 7 7 8 8 9 8 8 5 9 7.25 > 10. degrees : 0 0 0 0 1 0 1 0 1 1 1 1 0 1 0 1 0 0 1 0 0.45 Total : 13 17 21 19 22 18 16 15 19 22 18 21 16 14 15 17 16 19 15 18 17.55 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 : 3.4 2.8 2.7 2.6 154.0 3.0 146.4 2.5 151.6 150.4 151.2 152.5 3.1 153.9 4.1 150.0 3.4 2.8 144.0 5.8 153.95 Max PHI Viol : 1.2 0.9 2.0 0.8 1.6 1.4 2.1 0.9 0.9 1.0 2.5 1.2 1.8 2.3 1.1 1.0 0.3 2.2 1.8 1.4 2.48 Max PSI Viol : 3.4 2.8 2.7 2.6 1.8 2.3 3.0 2.5 2.6 5.5 3.8 2.9 3.1 2.7 4.1 1.8 3.4 2.8 2.5 5.8 5.84 Max CHI1 Viol : 0.0 0.7 1.4 1.4 1.5 3.0 0.0 0.0 0.3 1.7 0.0 3.2 0.0 3.3 2.7 2.5 2.8 1.8 0.0 0.0 3.34 Max CHI2 Viol : 0.2 0.1 0.0 0.6 154.0 1.3 146.4 1.5 151.6 150.4 151.2 152.5 1.4 153.9 1.2 150.0 0.0 0.2 144.0 1.9 153.95 Average Violation : 0.0 0.0 0.1 0.0 0.4 0.0 0.4 0.0 0.4 0.4 0.4 0.4 0.0 0.4 0.1 0.4 0.1 0.1 0.4 0.1 0.214 Avge PHI Viol : 0.104 0.157 0.227 0.118 0.204 0.132 0.219 0.093 0.157 0.141 0.249 0.126 0.166 0.150 0.135 0.095 0.059 0.208 0.161 0.156 0.160 Avge PSI Viol : 0.351 0.289 0.382 0.270 0.299 0.338 0.246 0.298 0.336 0.431 0.331 0.324 0.352 0.303 0.378 0.294 0.386 0.378 0.281 0.435 0.339 Avge CHI1 Viol : 0.000 0.095 0.119 0.143 0.157 0.187 0.000 0.000 0.047 0.185 0.000 0.169 0.000 0.218 0.174 0.184 0.208 0.128 0.000 0.000 0.130 Avge CHI2 Viol : 0.083 0.038 0.000 0.098 1.607 0.148 1.551 0.203 1.584 1.571 1.582 1.589 0.150 1.597 0.141 1.569 0.000 0.062 1.540 0.243 1.062 RMS Violation : 0.257 0.211 0.307 0.200 7.711 0.275 7.332 0.223 7.591 7.539 7.575 7.639 0.263 7.711 0.352 7.511 0.324 0.305 7.212 0.446 5.061 RMS PHI Viol : 0.116 0.135 0.297 0.093 0.201 0.137 0.252 0.087 0.125 0.125 0.325 0.123 0.192 0.215 0.137 0.097 0.030 0.259 0.181 0.159 0.180 RMS PSI Viol : 0.496 0.389 0.478 0.345 0.326 0.410 0.340 0.397 0.426 0.730 0.508 0.445 0.465 0.433 0.617 0.338 0.559 0.511 0.352 0.833 0.487 RMS CHI1 Viol : 0.000 0.070 0.132 0.156 0.186 0.291 0.000 0.000 0.024 0.223 0.000 0.302 0.000 0.368 0.262 0.266 0.304 0.174 0.000 0.000 0.188 RMS CHI2 Viol : 0.038 0.011 0.000 0.075 19.714 0.171 18.745 0.231 19.406 19.254 19.356 19.523 0.175 19.704 0.156 19.200 0.000 0.030 18.437 0.327 12.923 Final --global-- Summary for 20 models, 399 ACOs/model, 7980 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 1710.54 Summ. Sq. Viol. : 204393.89 Max. Viol. : 153.950 Avg. Viol. : 0.21435 RMS Viol. : 5.06096 Std. Dev. Viol. : 5.05641