1-> [LEU A 21] PHI -84.6 -44.6 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 1.1 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.0] 2-> [LEU A 21] PSI -63.1 -23.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.5] 3-> [VAL A 22] PHI -81.4 -41.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 25.7] 4-> [VAL A 22] PSI -59.8 -19.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 16.4] 5-> [SER A 23] PHI -84.1 -44.1 0.0 0.0 0.0 0.0 0.0 18.2 0.0 0.0 0.0 0.0 4.2 5.3 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 18.2] 8-> [VAL A 24] PSI -52.1 25.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.4] 9-> [ALA A 25] PHI -77.1 -37.1 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 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 .. 10.0] 10-> [ALA A 25] PSI -55.7 -15.7 0.0 2.2 0.0 15.9 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 - 2 [ 0.0 .. 15.9] 11-> [ASN A 26] PHI -86.2 -46.2 0.0 0.0 0.0 0.0 3.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.5] 15-> [ILE A 28] PHI -91.9 -47.7 0.0 0.0 21.7 1.2 13.1 0.0 8.7 7.2 4.7 2.0 16.6 18.5 19.8 21.7 4.5 0.0 0.0 0.0 0.0 20.1 - 13 [ 0.0 .. 21.7] 19-> [GLY A 31] PHI 97.2 -122.8 21.8 25.4 17.8 40.3 18.4 18.6 33.3 28.1 24.0 15.7 26.7 18.1 18.0 27.8 22.7 17.3 26.6 49.1 27.8 28.4 - 20 [ 15.7 .. 49.1] 20-> [GLY A 31] PSI 85.3 -134.7 0.0 6.5 9.1 0.0 9.4 0.1 0.0 0.0 0.0 0.0 0.0 2.7 5.5 0.0 0.4 5.6 0.0 0.0 5.3 0.0 - 9 [ 0.0 .. 9.4] 22-> [LYS A 32] PSI 115.5 159.7 2.0 0.0 4.3 0.0 5.3 5.5 0.0 3.7 4.2 0.0 5.5 5.4 0.0 7.8 5.4 2.7 0.0 8.8 0.0 0.0 - 12 [ 0.0 .. 8.8] 23-> [ILE A 33] PHI -158.0 -108.6 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 2.1 0.0 0.0 6.4 4.1 0.0 0.0 - 3 [ 0.0 .. 6.4] 25-> [LEU A 34] PHI -146.2 -81.5 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] 28-> [CYS A 35] PSI 112.0 172.8 0.0 0.0 12.8 0.0 0.0 9.2 0.5 0.0 0.0 0.0 2.6 0.0 0.0 4.8 11.9 0.0 0.0 11.2 8.6 0.0 - 8 [ 0.0 .. 12.8] 31-> [ARG A 42] PHI -80.7 -40.7 9.3 0.0 19.4 0.0 0.0 1.9 0.0 26.9 0.0 0.0 12.8 0.0 29.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 29.4] 32-> [ARG A 42] PSI -59.8 -19.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.5 13.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.1 0.0 - 3 [ 0.0 .. 13.0] 33-> [ASN A 43] PHI -83.5 -43.5 0.0 0.0 16.5 0.0 0.0 0.0 0.0 0.0 0.0 9.4 4.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 16.5] 34-> [ASN A 43] PSI -62.2 -22.2 0.0 0.0 0.0 7.5 0.0 0.0 0.0 0.0 0.0 3.6 6.5 0.0 10.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 10.4] 37-> [CYS A 45] PHI -81.3 -41.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.7] 38-> [CYS A 45] PSI -61.2 -21.2 0.0 0.0 0.0 10.2 5.1 0.0 0.0 0.0 0.0 1.2 1.2 0.0 6.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 10.2] 41-> [LEU A 47] PHI -81.8 -41.8 0.0 0.0 0.0 2.5 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 - 1 [ 0.0 .. 2.5] 44-> [ALA A 48] PSI -60.5 -20.5 0.0 0.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 2.4] 46-> [SER A 49] PSI -54.1 -5.3 0.0 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 0.0 0.0 2.6 0.0 0.0 0.0 - 2 [ 0.0 .. 2.6] 54-> [GLU A 53] PSI 91.2 148.5 0.0 4.6 2.8 0.0 9.8 11.1 0.0 10.2 11.1 0.5 7.2 11.2 8.3 11.2 4.4 2.6 0.0 0.0 1.1 8.6 - 15 [ 0.0 .. 11.2] 58-> [THR A 55] PSI 105.5 154.5 2.2 0.0 5.0 0.0 0.0 3.9 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.6 0.0 - 6 [ 0.0 .. 5.0] 59-> [ALA A 56] PHI -149.5 -86.4 0.0 0.0 2.9 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.9 0.0 1.8 0.0 0.0 - 5 [ 0.0 .. 3.2] 60-> [ALA A 56] PSI 105.1 163.3 7.7 0.0 6.0 0.0 0.0 2.8 0.4 0.0 0.0 12.0 0.0 0.0 0.0 0.0 0.1 10.4 0.0 1.4 0.0 0.9 - 9 [ 0.0 .. 12.0] 62-> [VAL A 57] PSI 120.0 160.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 23.5 0.0 7.6 0.0 6.6 0.5 17.1 3.6 10.0 0.0 5.0 0.0 0.0 - 8 [ 0.0 .. 23.5] 68-> [SER A 60] PSI 65.4 165.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17.6 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 .. 17.6] 69-> [SER A 61] PHI -75.6 -35.6 7.7 0.0 0.0 8.2 14.4 16.8 7.1 0.0 18.4 12.5 13.5 12.0 13.8 0.0 0.0 0.0 10.5 0.0 0.0 15.1 - 12 [ 0.0 .. 18.4] 70-> [SER A 61] PSI -56.8 -16.8 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 12.3 0.0 0.0 1.7 0.0 0.0 0.0 0.0 6.7 0.0 0.0 0.0 - 4 [ 0.0 .. 12.3] 75-> [LEU A 64] PHI -82.2 -42.2 18.2 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 0.0 - 1 [ 0.0 .. 18.2] 92-> [GLN A 72] PSI -63.4 -23.4 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 9.1 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.1] 96-> [LYS A 74] PSI -19.7 20.3 0.0 0.0 0.2 0.6 0.0 0.0 0.0 0.0 0.0 3.0 3.4 1.5 1.0 0.3 18.9 1.7 0.4 0.0 0.0 0.0 - 10 [ 0.0 .. 18.9] 97-> [GLY A 75] PHI 46.7 94.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 19.7 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 19.7] 102-> [LYS A 77] PSI 119.6 -178.1 21.5 0.0 1.3 8.5 0.0 0.0 0.0 0.0 0.0 20.0 0.0 0.0 0.0 0.0 0.0 11.5 24.3 0.0 24.8 0.0 - 7 [ 0.0 .. 24.8] 104-> [ILE A 78] PSI 119.1 168.6 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 0.0 8.2 0.0 - 1 [ 0.0 .. 8.2] 110-> [VAL A 81] PSI 106.2 163.0 0.0 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 - 1 [ 0.0 .. 1.2] 111-> [GLN A 82] PHI -126.7 -86.6 13.5 12.2 8.7 1.9 2.3 13.9 0.0 6.4 0.0 3.4 12.7 27.8 10.9 5.0 13.9 6.1 0.0 10.6 12.8 0.0 - 16 [ 0.0 .. 27.8] 112-> [GLN A 82] PSI 92.9 147.5 0.0 0.0 0.0 6.8 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 0.0 - 1 [ 0.0 .. 6.8] 114-> [SER A 83] PSI 100.1 177.2 0.0 0.0 0.0 0.0 0.0 22.9 0.0 0.0 21.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.5 0.0 0.0 22.8 - 4 [ 0.0 .. 22.9] 115-> [ASN A 84] PHI -140.7 -21.6 17.5 0.0 20.5 9.3 3.3 0.0 0.0 18.1 0.0 19.3 8.5 0.0 9.4 0.0 18.7 0.0 0.0 3.0 5.4 0.0 - 11 [ 0.0 .. 20.5] 116-> [ASN A 84] PSI 99.3 -175.1 0.0 45.9 4.3 49.3 36.2 0.0 0.0 4.6 0.0 4.3 38.8 59.4 8.7 24.2 9.0 65.8 0.0 14.5 8.8 0.0 - 14 [ 0.0 .. 65.8] 118-> [LEU A 85] PSI -100.6 -9.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.0 0.0 0.0 0.0 0.0 0.0 7.7 0.0 - 2 [ 0.0 .. 9.0] 122-> [PHE A 88] PSI 104.4 156.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 26.5 0.0 29.3 0.0 32.5 0.0 0.0 0.0 29.0 0.0 10.5 0.0 - 5 [ 0.0 .. 32.5] 123-> [ASP A 89] PHI -149.2 -65.7 0.0 0.0 0.0 0.0 7.3 0.0 0.0 0.0 0.0 0.0 0.0 8.3 0.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 - 3 [ 0.0 .. 8.3] 125-> [ILE A 90] PSI 96.9 139.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 14.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 14.3] 126-> [ALA A 92] PHI -86.9 -46.9 0.0 0.0 0.0 0.0 0.0 4.1 0.0 0.0 0.0 0.0 0.6 0.0 29.7 0.0 0.0 5.7 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 29.7] 127-> [ALA A 92] PSI -41.7 -1.7 0.0 8.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.0 2.7 10.9 0.0 0.0 8.7 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 12.0] 128-> [ASP A 93] PHI -96.3 -56.3 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 5.7] 131-> [ALA A 94] PSI -42.6 22.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.3 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 8.3] 137-> [VAL A 99] PSI 107.9 156.1 9.1 0.0 0.0 0.0 0.0 0.0 19.2 22.8 21.9 0.0 0.0 0.0 0.0 0.0 6.0 0.0 0.0 22.6 0.0 25.9 - 7 [ 0.0 .. 25.9] 138-> [SER A 100] PHI -142.4 -73.1 0.0 12.2 0.0 0.0 24.9 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 - 2 [ 0.0 .. 24.9] 139-> [SER A 100] PSI 92.8 148.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.0] 142-> [PHE A 102] PHI -160.4 -20.4 15.5 18.3 64.1 22.5 0.0 15.5 13.2 15.3 16.2 15.2 0.0 11.0 13.5 15.5 15.5 14.6 15.4 15.5 13.1 0.0 - 17 [ 0.0 .. 64.1] 143-> [PHE A 102] PSI 111.4 167.6 12.1 6.3 61.0 6.4 0.0 7.6 6.5 8.8 9.7 11.9 0.0 5.5 6.4 6.5 7.4 6.4 7.4 7.2 6.4 0.0 - 17 [ 0.0 .. 61.0] 144-> [CYS A 103] PHI -140.3 -47.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 32.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.0 - 2 [ 0.0 .. 32.0] 145-> [CYS A 103] PSI 107.6 165.2 0.0 0.0 0.9 0.0 0.0 4.1 12.4 0.0 10.0 15.2 0.0 9.8 0.0 0.0 0.0 0.0 15.8 0.2 12.5 0.0 - 9 [ 0.0 .. 15.8] 147-> [HIS A 104] PSI 105.5 153.9 25.5 41.4 3.0 30.9 35.5 26.5 14.9 55.6 15.5 0.0 5.2 35.4 26.4 34.9 72.2 25.7 15.5 0.9 15.4 71.3 - 19 [ 0.0 .. 72.2] 148-> [LEU A 105] PHI -152.3 -85.4 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 12.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 12.6] 150-> [PRO A 106] PSI 121.3 161.3 0.0 0.0 5.7 9.3 0.0 2.4 0.0 4.4 1.1 0.0 6.1 0.0 2.1 2.7 0.0 10.2 0.0 7.0 0.0 8.1 - 11 [ 0.0 .. 10.2] 153-> [SER A 108] PHI -81.0 -41.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 - 1 [ 0.0 .. 2.1] 155-> [LEU A 109] PHI -84.4 -44.4 12.9 0.0 17.3 0.0 4.3 24.3 0.3 20.3 0.0 0.0 0.0 23.4 2.8 6.9 7.3 0.0 2.9 0.0 4.4 25.5 - 13 [ 0.0 .. 25.5] 156-> [LEU A 109] PSI -63.2 -23.2 0.0 0.0 5.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.6 0.0 0.0 8.0 0.0 0.0 2.8 0.0 3.2 17.1 - 6 [ 0.0 .. 17.1] 157-> [ARG A 110] PHI -80.3 -40.3 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 2.3 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3] 158-> [ARG A 110] PSI -65.1 -25.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 9.5] 159-> [GLN A 111] PHI -84.7 -44.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 30.2 0.0 5.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 30.2] 160-> [GLN A 111] PSI -51.6 -11.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 0.0 0.0 0.0 0.0 7.1 0.0 0.0 0.0 0.0 3.6 3.6 - 4 [ 0.0 .. 7.1] 161-> [GLN A 112] PHI -104.6 -50.4 0.0 6.3 0.0 0.0 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 0.0 0.0 0.0 - 2 [ 0.0 .. 6.3] 163-> [LEU A 113] PHI -91.5 -51.5 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 0.0 - 1 [ 0.0 .. 3.7] 164-> [LEU A 113] PSI -59.8 -19.8 0.2 0.2 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.8 0.0 0.0 0.0 1.4 0.0 - 6 [ 0.0 .. 2.1] 168-> [LYS A 116] PHI -87.5 -47.5 0.0 0.0 0.0 11.8 0.0 0.0 0.0 2.5 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 16.0] 170-> [VAL A 117] PHI -84.6 -44.6 0.0 0.0 31.1 31.5 1.0 13.3 0.0 0.0 17.9 24.5 0.0 0.0 30.3 0.0 0.0 15.7 22.5 0.0 0.0 0.0 - 9 [ 0.0 .. 31.5] 171-> [VAL A 117] PSI -69.8 -29.8 0.0 0.0 25.5 14.7 0.0 0.0 0.0 0.0 0.0 33.3 0.0 0.0 24.5 0.0 0.0 0.0 13.4 0.0 0.0 0.0 - 5 [ 0.0 .. 33.3] 172-> [TYR A 118] PHI -81.1 -41.1 0.0 0.0 27.0 0.0 0.0 0.0 0.0 0.0 0.0 35.6 0.0 0.0 19.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 35.6] 174-> [GLN A 119] PHI -92.0 -52.0 14.8 0.0 2.0 9.6 18.0 18.0 0.0 13.1 27.2 7.8 12.9 15.5 27.9 0.0 0.0 23.7 20.1 0.0 0.0 0.0 - 14 [ 0.0 .. 27.9] 175-> [GLN A 119] PSI -47.8 4.8 2.2 0.0 0.0 0.0 2.3 2.0 0.0 4.0 0.0 0.0 4.0 2.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 4.0] 176-> [LEU A 121] PHI -102.5 -62.5 3.7 0.0 0.0 0.0 0.0 0.0 0.0 13.6 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 13.6] 181-> [GLY A 124] PHI 65.5 120.4 0.0 9.5 0.0 0.0 15.7 0.0 5.4 0.0 0.5 0.0 0.0 5.6 0.0 13.8 7.8 0.0 0.0 10.4 0.0 4.8 - 9 [ 0.0 .. 15.7] 182-> [GLY A 124] PSI -35.1 11.4 0.0 0.0 0.0 0.0 0.0 5.5 0.0 0.0 0.0 0.0 0.0 3.7 2.4 0.0 0.0 11.7 0.0 0.0 2.9 1.6 - 6 [ 0.0 .. 11.7] 184-> [GLY A 125] PSI 133.3 173.3 0.0 0.0 0.4 0.0 0.0 10.8 0.0 0.0 0.0 0.0 0.0 0.0 10.6 7.6 0.0 3.7 0.0 12.7 15.4 0.0 - 7 [ 0.0 .. 15.4] 185-> [VAL A 126] PHI -150.8 -110.8 0.0 0.0 0.0 17.1 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 17.1] 186-> [VAL A 126] PSI 132.4 172.6 5.9 28.6 0.0 23.6 12.7 7.4 1.0 0.0 17.8 0.0 3.1 21.3 0.0 0.0 21.8 8.0 0.0 0.0 0.0 0.0 - 11 [ 0.0 .. 28.6] 187-> [PHE A 127] PHI -147.3 -107.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.0 0.0 1.9 0.0 0.0 0.0 11.3 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 16.0] 188-> [PHE A 127] PSI 113.8 153.8 2.7 0.0 0.0 7.9 0.0 5.5 14.5 0.0 0.0 0.0 0.0 0.0 7.2 19.3 0.0 3.1 0.0 3.0 3.5 13.0 - 10 [ 0.0 .. 19.3] 189-> [ILE A 128] PHI -153.6 -107.4 1.2 0.9 0.0 11.9 4.3 11.7 33.1 0.0 0.0 0.0 0.0 0.0 10.5 6.1 0.0 8.1 0.0 9.0 1.6 30.2 - 12 [ 0.0 .. 33.1] 190-> [ILE A 128] PSI 109.8 149.8 0.0 6.4 15.6 0.0 0.0 6.2 0.0 0.0 14.2 14.1 0.0 0.0 11.1 6.6 0.4 0.4 11.9 0.0 7.8 2.8 - 12 [ 0.0 .. 15.6] 192-> [LEU A 129] PSI 115.2 160.7 0.0 34.5 0.0 0.0 0.0 0.0 0.0 14.5 0.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 41.8 0.0 - 4 [ 0.0 .. 41.8] 193-> [GLU A 130] PHI -141.2 -100.6 0.0 6.6 8.4 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 0.0 - 2 [ 0.0 .. 8.4] 194-> [GLU A 130] PSI 104.5 147.9 40.5 23.5 0.0 0.0 0.0 24.6 16.1 0.0 14.6 16.4 0.0 0.0 24.5 17.7 4.6 3.8 21.2 15.2 0.0 34.4 - 13 [ 0.0 .. 40.5] 195-> [GLY A 131] PHI 148.4 -71.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 33.4 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.3 0.0 0.0 0.0 - 3 [ 0.0 .. 33.4] 198-> [PHE A 132] PSI 100.3 164.3 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.4] 199-> [ALA A 133] PHI -162.6 -37.1 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 2.4] 201-> [GLU A 135] PHI -83.7 -43.7 0.0 0.0 0.0 0.0 0.0 0.0 11.1 1.8 0.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 0.0 1.5 0.0 0.0 - 4 [ 0.0 .. 11.1] 202-> [GLU A 135] PSI -62.1 -8.1 0.0 0.0 0.0 0.0 0.0 0.0 7.1 0.0 0.0 0.0 7.6 0.0 3.1 0.0 0.0 0.0 0.0 1.7 0.0 0.0 - 4 [ 0.0 .. 7.6] 205-> [LEU A 137] PHI -87.7 -47.7 0.0 0.0 0.0 0.0 10.6 26.9 17.3 7.5 0.0 0.0 0.0 3.1 0.0 0.0 0.0 18.8 5.1 8.3 0.0 0.0 - 8 [ 0.0 .. 26.9] 206-> [LEU A 137] PSI -52.1 -12.1 0.0 0.0 0.0 6.7 0.0 26.4 43.2 11.9 0.0 0.0 0.0 1.1 7.2 0.0 0.0 0.0 0.0 14.8 0.0 0.0 - 7 [ 0.0 .. 43.2] 207-> [GLN A 138] PHI -112.3 -47.7 0.0 0.0 0.0 0.0 0.0 4.3 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 - 1 [ 0.0 .. 4.3] 211-> [THR A 141] PHI -132.3 -81.5 0.0 10.0 2.0 0.0 0.0 2.7 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 10.0] 212-> [THR A 141] PSI -27.4 35.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.2 0.0 4.8 0.0 0.0 0.0 0.0 0.0 4.0 0.0 1.0 0.0 0.0 - 4 [ 0.0 .. 11.2] 213-> [GLY A 143] PHI 169.1 -50.9 0.0 0.0 0.0 0.0 0.0 0.0 52.9 14.1 0.0 27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 34.9 - 4 [ 0.0 .. 52.9] 214-> [GLY A 143] PSI 61.4 -158.6 0.0 8.1 0.0 0.0 0.0 27.5 0.0 0.0 6.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 - 4 [ 0.0 .. 27.5] 216-> [ASP A 148] PSI -59.9 -19.9 0.0 0.7 0.0 0.0 0.0 9.9 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 - 2 [ 0.0 .. 9.9] 217-> [LEU A 149] PHI -104.4 -64.4 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.3] 218-> [LEU A 149] PSI -48.5 18.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 22.4 0.0 0.0 0.0 0.8 0.0 0.0 0.0 13.8 0.0 - 3 [ 0.0 .. 22.4] 219-> [LEU A 150] PHI 178.1 -68.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.3 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 .. 7.3] 222-> [LEU A 153] PSI -67.2 -27.2 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 0.0 8.5 - 1 [ 0.0 .. 8.5] 223-> [GLU A 154] PHI -81.2 -41.2 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 0.0 6.7 - 1 [ 0.0 .. 6.7] 225-> [THR A 155] PHI -86.4 -46.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.6 0.0 0.0 0.0 0.0 9.9 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 9.9] 227-> [LEU A 156] PHI -82.2 -42.2 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 1.1 0.0 - 1 [ 0.0 .. 1.1] 228-> [LEU A 156] PSI -65.8 -25.8 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 6.5 0.9 0.0 0.0 0.0 - 2 [ 0.0 .. 6.5] 229-> [GLN A 157] PHI -78.7 -38.7 0.0 1.4 0.0 0.0 0.0 0.0 0.0 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 - 2 [ 0.0 .. 1.4] 230-> [GLN A 157] PSI -57.4 -17.4 0.0 0.0 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 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.6] 231-> [SER A 158] PHI -84.8 -44.8 0.0 0.0 0.2 0.0 0.0 0.8 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.9 0.0 11.3 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 11.3] 234-> [GLU A 159] PSI -42.6 22.8 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 1.7 0.0 0.0 6.9 0.0 0.0 0.0 2.0 0.0 0.0 0.0 - 4 [ 0.0 .. 6.9] 240-> [LEU A 163] PSI -57.5 53.8 61.1 61.0 73.5 25.4 60.8 61.6 61.2 63.7 63.8 25.3 66.4 75.5 79.0 62.1 41.3 57.4 76.6 61.3 69.0 48.9 - 20 [ 25.3 .. 79.0] 242-> [ASN A 164] PSI 103.5 172.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.1 0.0 0.0 4.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 16.1] 243-> [TRP A 165] PHI -108.4 -58.0 0.0 0.0 0.0 0.0 11.7 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 3.6 - 2 [ 0.0 .. 11.7] 247-> [ILE A 167] PHI -175.0 -127.7 13.7 5.2 8.5 10.3 29.9 13.0 15.3 17.7 3.1 0.0 3.9 7.2 29.5 8.9 7.3 17.4 19.2 14.7 2.5 13.6 - 19 [ 0.0 .. 29.9] 249-> [ALA A 168] PHI -153.9 -69.5 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 0.0 - 1 [ 0.0 .. 1.5] 252-> [ASN A 169] PSI 118.6 158.6 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 4.1 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.1] 254-> [ASN A 170] PSI 99.4 176.9 0.0 0.0 0.0 0.0 0.0 4.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.3 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 7.3] 258-> [GLU A 172] PSI 124.0 173.2 15.2 0.0 16.2 10.3 7.2 5.3 0.0 2.2 0.0 32.6 0.0 15.3 0.0 0.0 9.2 13.9 43.6 8.0 19.3 0.0 - 13 [ 0.0 .. 43.6] 259-> [ARG A 173] PHI -170.8 -92.3 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 12.1 0.0 0.0 0.0 0.0 0.0 0.0 12.2 0.7 0.0 0.0 - 4 [ 0.0 .. 12.2] 260-> [ARG A 173] PSI 126.4 173.1 9.0 11.6 0.0 12.4 6.0 6.4 0.0 1.7 1.3 15.1 0.0 0.0 0.0 0.0 1.6 0.0 0.0 4.9 0.0 6.3 - 11 [ 0.0 .. 15.1] 262-> [ASN A 174] PSI 100.2 156.0 0.0 0.0 0.0 0.0 0.0 0.2 0.0 26.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 26.8] 263-> [LEU A 175] PHI -108.5 -50.3 0.0 0.0 0.0 0.0 0.0 4.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 25.7 0.0 - 2 [ 0.0 .. 25.7] 264-> [LEU A 175] PSI 105.6 166.5 0.0 0.0 0.0 12.2 9.3 10.4 0.0 0.0 4.6 0.0 3.5 0.0 0.4 0.0 0.0 25.9 0.0 0.0 0.0 0.0 - 7 [ 0.0 .. 25.9] 265-> [LYS A 184] PHI -163.9 -23.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 - 3 [ 0.0 .. 5.2] 267-> [ALA A 185] PHI -164.8 -106.9 0.0 0.0 0.0 16.6 0.0 22.8 0.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 0.0 17.6 12.8 0.0 8.9 - 6 [ 0.0 .. 22.8] 268-> [ALA A 185] PSI 135.1 175.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 13.2 0.0 0.0 0.0 0.0 0.0 8.4 0.0 0.0 0.0 - 3 [ 0.0 .. 13.2] 269-> [ALA A 186] PHI -136.6 -75.3 0.0 0.0 0.0 0.0 0.0 16.2 0.0 0.0 0.0 0.0 3.8 0.0 0.0 4.4 0.0 0.0 0.0 0.0 0.2 0.0 - 4 [ 0.0 .. 16.2] 270-> [ALA A 186] PSI 104.5 153.2 12.4 0.0 0.0 13.7 0.0 0.0 10.5 0.0 0.0 17.7 0.0 2.7 0.0 0.0 0.0 0.0 13.6 0.0 0.0 6.6 - 7 [ 0.0 .. 17.7] 271-> [LEU A 187] PHI -165.8 -88.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.5 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 .. 13.5] 272-> [LEU A 187] PSI 134.8 174.8 0.0 0.0 0.0 0.0 0.0 13.2 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 - 1 [ 0.0 .. 13.2] 274-> [ILE A 188] PSI 120.1 173.7 0.0 22.4 9.1 5.0 12.4 13.4 6.9 0.0 0.0 8.7 0.0 0.0 0.0 5.6 1.3 0.0 8.7 1.3 8.6 0.0 - 12 [ 0.0 .. 22.4] 275-> [GLN A 189] PHI -151.2 -85.6 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 4.2 0.0 0.0 0.0 - 1 [ 0.0 .. 4.2] 276-> [GLN A 189] PSI 124.2 166.0 15.5 21.0 2.0 14.6 11.8 11.0 0.0 26.5 0.0 14.2 0.0 0.0 0.0 0.0 19.4 2.2 17.1 14.2 24.2 14.2 - 14 [ 0.0 .. 26.5] 277-> [LEU A 190] PHI -172.3 -111.4 0.0 0.9 0.0 0.0 0.0 0.0 0.0 12.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 12.0] 278-> [LEU A 190] PSI 129.1 -179.0 0.0 0.0 5.3 0.0 0.0 0.0 0.1 0.0 29.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 29.6] 280-> [LEU A 191] PSI 106.6 146.6 0.0 0.0 0.0 0.0 0.4 0.0 0.0 4.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.7 - 3 [ 0.0 .. 6.7] 281-> [GLY A 192] PHI -161.8 -87.0 2.5 3.2 0.7 0.0 5.4 0.0 8.8 0.0 2.0 0.0 0.0 0.9 0.0 0.0 5.5 0.0 0.0 2.6 0.0 9.0 - 10 [ 0.0 .. 9.0] 282-> [GLY A 192] PSI 106.2 151.8 6.7 12.8 17.3 0.0 0.0 0.0 8.1 0.0 16.9 17.5 44.8 18.4 0.0 10.0 15.0 0.0 16.3 0.0 25.7 0.0 - 12 [ 0.0 .. 44.8] 283-> [GLN A 193] PHI -140.7 -97.9 0.0 8.3 2.8 30.0 25.4 9.6 19.3 20.1 5.9 19.3 7.8 4.3 9.4 19.3 8.9 12.5 10.0 0.0 0.0 10.6 - 17 [ 0.0 .. 30.0] 284-> [GLN A 193] PSI 109.6 149.6 20.5 16.1 20.4 3.7 0.0 12.3 0.0 24.2 10.9 0.0 0.0 21.1 13.1 8.1 12.8 0.0 11.6 0.0 18.3 7.3 - 14 [ 0.0 .. 24.2] 285-> [LYS A 194] PHI -128.6 -60.0 3.2 8.1 6.3 14.4 8.9 0.7 10.6 0.0 0.0 0.0 5.1 19.7 0.0 15.8 4.4 9.2 18.4 0.0 0.0 23.1 - 15 [ 0.0 .. 23.1] 287-> [LEU A 195] PHI -116.8 -49.2 0.0 0.0 0.0 0.0 13.3 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 .. 13.3] 288-> [LEU A 195] PSI 104.7 178.3 0.0 0.0 0.0 41.1 0.0 0.0 0.0 0.0 34.2 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 .. 41.1] ---- 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 : 16 16 22 17 17 25 11 18 15 18 26 23 20 19 19 22 12 17 23 17 18.65 > 10. degrees : 17 15 17 24 17 26 17 24 21 24 16 17 25 14 15 17 24 14 16 17 18.85 Total : 35 35 46 42 35 56 34 43 39 46 44 41 49 36 41 42 38 36 42 35 40.75 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 : 61.1 61.0 73.5 49.3 60.8 61.6 61.2 63.7 63.8 35.6 66.4 75.5 79.0 62.1 72.2 65.8 76.6 61.3 69.0 71.3 78.98 Max PHI Viol : 21.8 25.4 64.1 40.3 29.9 26.9 52.9 33.4 27.2 35.6 32.0 27.8 30.3 27.8 22.7 23.7 26.6 49.1 27.8 34.9 64.14 Max PSI Viol : 61.1 61.0 73.5 49.3 60.8 61.6 61.2 63.7 63.8 33.3 66.4 75.5 79.0 62.1 72.2 65.8 76.6 61.3 69.0 71.3 78.98 Average Violation : 1.5 1.7 2.0 2.1 1.6 2.2 1.6 2.1 1.8 1.9 1.8 1.8 2.3 1.5 1.5 1.7 1.9 1.3 1.7 1.9 1.794 Avge PHI Viol : 1.057 0.948 1.397 1.332 1.284 1.356 1.290 1.388 1.062 1.288 1.227 1.172 1.452 1.027 1.073 1.107 1.160 1.004 0.828 1.310 1.200 Avge PSI Viol : 1.370 1.580 1.460 1.524 1.244 1.580 1.252 1.531 1.588 1.458 1.472 1.463 1.572 1.385 1.371 1.458 1.587 1.223 1.619 1.459 1.464 RMS Violation : 5.984 6.876 8.288 6.887 6.250 6.741 6.902 7.558 6.640 6.104 7.013 7.360 7.741 5.881 6.293 6.638 7.259 5.640 6.569 7.523 6.840 RMS PHI Viol : 4.013 3.476 7.594 6.231 5.357 5.590 6.772 6.126 4.363 5.893 5.263 4.773 6.674 4.192 4.086 4.264 4.820 4.908 3.584 6.127 5.324 RMS PSI Viol : 7.432 9.055 8.921 7.477 7.020 7.710 7.028 8.743 8.295 6.306 8.389 9.226 8.666 7.167 7.885 8.342 9.042 6.279 8.546 8.682 8.060 Final --global-- Summary for 20 models, 288 ACOs/model, 5760 ACOs total ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Summ. Viol. : 10335.15 Summ. Sq. Viol. : 269452.28 Max. Viol. : 78.984 Avg. Viol. : 1.79430 RMS Viol. : 6.83958 Std. Dev. Viol. : 6.60003