32-> [LEU A 22] PSI -35.0 25.0 1.1 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.6 0.0 0.0 0.0 0.6 0.6 0.0 - 6 [ 0.0 .. 1.1] 34-> [ARG A 26] PSI -64.7 -4.7 0.0 1.1 0.0 0.0 0.0 0.2 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 - 2 [ 0.0 .. 1.1] 36-> [ARG A 27] PSI -70.3 -10.3 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 1.6 0.0 0.0 1.1 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 1.6] 55-> [GLU A 38] PHI -132.6 -72.6 0.2 0.0 0.3 0.0 0.0 1.1 0.0 0.0 0.8 1.3 0.8 0.0 0.0 0.0 0.0 0.4 0.0 1.1 0.0 0.0 - 8 [ 0.0 .. 1.3] 78-> [GLY A 49] PSI -24.8 35.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.2 0.0 0.0 1.0 0.0 0.0 0.4 0.1 - 6 [ 0.0 .. 1.0] 80-> [MET A 50] PSI 124.0 -176.0 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 0.0 - 1 [ 0.0 .. 1.1] 104-> [LEU A 62] PSI -69.7 -9.7 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 2.2 1.7 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.2] 106-> [LYS A 63] PSI -68.2 -8.2 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 1.4 1.4 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.4] 116-> [ARG A 71] PSI 106.2 166.2 0.0 1.8 0.0 1.4 0.1 0.0 0.0 0.0 0.0 1.3 0.0 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 1.8] 118-> [ARG A 72] PSI 97.1 157.1 0.0 0.0 0.4 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.4 0.0 0.0 0.0 - 4 [ 0.0 .. 1.9] 131-> [TYR A 79] PHI -161.4 -101.4 0.2 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.6 0.0 0.4 0.0 0.8 1.6 0.0 0.0 - 7 [ 0.0 .. 1.8] 166-> [GLU A 99] PSI -62.0 -2.0 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 0.0 0.0 - 1 [ 0.0 .. 1.3] 168-> [HIS A 100] PSI -64.0 -4.0 0.0 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 1.4 0.0 1.5 0.0 0.5 0.0 0.0 - 5 [ 0.0 .. 2.9] 169-> [ARG B 7] PHI -94.8 -34.8 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 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3] 200-> [LEU B 22] PSI -35.0 25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.3 1.1 0.0 - 4 [ 0.0 .. 1.2] 202-> [ARG B 26] PSI -64.7 -4.7 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 1.5 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5] 204-> [ARG B 27] PSI -70.3 -10.3 0.0 0.0 0.1 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 1.6] 206-> [LEU B 28] PSI -70.6 -10.6 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 0.0 - 1 [ 0.0 .. 1.5] 222-> [GLN B 36] PSI -43.9 16.1 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8] 223-> [GLU B 38] PHI -132.6 -72.6 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 1.0 - 5 [ 0.0 .. 1.1] 246-> [GLY B 49] PSI -24.8 35.2 0.0 0.8 0.4 0.0 1.1 0.0 0.7 0.7 0.4 0.1 0.0 0.0 0.0 0.0 0.4 1.4 0.0 0.0 0.2 0.4 - 11 [ 0.0 .. 1.4] 272-> [LEU B 62] PSI -69.7 -9.7 0.0 0.0 3.2 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 .. 3.2] 274-> [LYS B 63] PSI -68.2 -8.2 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] 283-> [ARG B 71] PHI -158.4 -98.4 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 0.0 0.0 0.0 1.2 0.0 0.0 0.0 - 2 [ 0.0 .. 1.2] 284-> [ARG B 71] PSI 96.2 176.2 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 0.0 0.0 0.0 - 1 [ 0.0 .. 1.3] 293-> [ARG B 76] PHI -154.9 -94.9 0.0 0.4 0.0 0.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.5 0.8 0.0 0.0 0.0 0.0 0.0 0.4 0.0 - 5 [ 0.0 .. 1.2] 331-> [ASP B 98] PHI -91.8 -31.8 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 0.0 0.0 0.0 1.2 0.0 0.0 - 2 [ 0.0 .. 1.2] 336-> [HIS B 100] PSI -64.0 -4.0 0.0 1.1 0.0 0.0 1.0 0.0 0.0 0.0 0.4 0.0 1.3 0.2 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 1.3] ---- 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 : 2 4 4 2 3 1 0 1 4 2 2 2 1 4 2 4 2 3 1 0 2.20 > 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 : 6 6 11 6 8 6 4 5 10 7 8 8 7 8 4 6 5 12 6 4 6.85 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 : 1.3 1.8 3.2 1.4 1.6 1.1 0.7 1.2 1.8 1.3 1.3 1.8 1.9 2.2 1.7 1.5 1.5 1.6 1.1 1.0 3.16 Max PHI Viol : 1.3 1.1 0.3 0.7 0.2 1.1 0.1 1.2 0.8 1.3 0.8 1.8 0.8 0.2 0.4 0.6 1.2 1.6 0.6 1.0 1.81 Max PSI Viol : 1.1 1.8 3.2 1.4 1.6 0.3 0.7 0.8 1.8 1.3 1.3 1.1 1.9 2.2 1.7 1.5 1.5 0.8 1.1 0.4 3.16 Average 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 0.015 Avge PHI Viol : 0.100 0.095 0.047 0.085 0.055 0.117 0.021 0.098 0.117 0.107 0.123 0.121 0.106 0.037 0.049 0.076 0.130 0.161 0.077 0.076 0.096 Avge PSI Viol : 0.113 0.170 0.260 0.134 0.156 0.058 0.081 0.100 0.204 0.134 0.137 0.111 0.120 0.215 0.144 0.172 0.105 0.129 0.118 0.062 0.145 RMS Violation : 0.102 0.152 0.275 0.110 0.124 0.080 0.042 0.091 0.185 0.121 0.123 0.123 0.123 0.182 0.123 0.143 0.124 0.141 0.084 0.057 0.134 RMS PHI Viol : 0.103 0.091 0.025 0.068 0.023 0.110 0.006 0.097 0.092 0.107 0.101 0.145 0.082 0.018 0.031 0.054 0.129 0.176 0.057 0.074 0.091 RMS PSI Viol : 0.102 0.196 0.389 0.139 0.174 0.029 0.059 0.084 0.245 0.133 0.142 0.095 0.153 0.257 0.171 0.194 0.119 0.095 0.105 0.032 0.167 Final --global-- Summary for 20 models, 336 ACOs/model, 6720 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 101.36 Summ. Sq. Viol. : 121.52 Max. Viol. : 3.159 Avg. Viol. : 0.01508 RMS Viol. : 0.13448 Std. Dev. Viol. : 0.13363