==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 10-JUN-10 3NFB . COMPND 2 MOLECULE: BETA-PEPTIDYL AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOSINICELLA XENOPEPTIDILYTICA; . AUTHOR T.MERZ,T.HECK,B.GEUEKE,H.-P.E.KOHLER,M.G.GRUETTER . 1461 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 951 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 293 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 88 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 169 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 7 0 3 4 4 4 0 0 0 0 1 0 0 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 21 17 4 4 0 0 4 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G 0 0 113 0, 0.0 338,-0.1 0, 0.0 337,-0.0 0.000 360.0 360.0 360.0-149.9 30.9 -12.0 -6.0 2 2 A P - 0 0 57 0, 0.0 2,-0.2 0, 0.0 354,-0.0 -0.302 360.0-149.7 -61.5 143.9 34.3 -10.6 -7.1 3 3 A R >> - 0 0 54 336,-0.0 4,-0.8 1,-0.0 3,-0.8 -0.543 39.5 -86.2-102.5 179.2 37.0 -9.6 -4.5 4 4 A A G >4>S+ 0 0 0 1,-0.3 5,-1.8 2,-0.2 3,-1.3 0.899 127.7 51.4 -58.4 -44.2 39.6 -6.9 -5.0 5 5 A R G >45S+ 0 0 88 1,-0.3 3,-1.5 3,-0.2 -1,-0.3 0.825 103.6 61.1 -58.7 -33.1 42.1 -9.1 -6.8 6 6 A D G <45S+ 0 0 113 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.707 101.2 52.7 -69.6 -21.8 39.4 -10.3 -9.2 7 7 A L G <<5S- 0 0 23 -3,-1.3 -1,-0.3 -4,-0.8 356,-0.2 0.199 128.2 -95.8 -97.5 12.5 38.9 -6.7 -10.4 8 8 A G T < 5S+ 0 0 43 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.528 72.7 149.3 88.9 7.0 42.6 -6.3 -11.2 9 9 A V < - 0 0 5 -5,-1.8 -1,-0.3 325,-0.0 2,-0.2 -0.621 37.2-144.4 -71.8 122.1 43.7 -4.6 -8.0 10 10 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 207,-0.0 -0.628 20.3 179.8 -87.8 148.3 47.3 -5.6 -7.3 11 11 A F - 0 0 25 -2,-0.2 2,-0.2 2,-0.1 316,-0.0 -0.966 25.0-115.2-139.7 158.2 48.7 -6.2 -3.8 12 12 A E S S+ 0 0 28 -2,-0.3 2,-0.1 315,-0.1 0, 0.0 -0.580 70.4 27.2 -90.4 155.2 52.1 -7.2 -2.4 13 13 A G S S- 0 0 42 -2,-0.2 -2,-0.1 1,-0.1 178,-0.1 -0.226 90.0 -64.6 92.5-179.6 52.8 -10.4 -0.4 14 14 A T - 0 0 93 176,-0.4 176,-3.1 -2,-0.1 -1,-0.1 -0.924 44.6-147.5-114.6 112.3 51.3 -13.9 -0.3 15 15 A P - 0 0 35 0, 0.0 174,-0.2 0, 0.0 -2,-0.0 -0.336 23.4-106.8 -72.0 156.9 47.7 -14.3 0.9 16 16 A G - 0 0 12 184,-0.2 172,-0.1 4,-0.1 174,-0.1 -0.123 42.7 -88.7 -67.2 177.0 46.5 -17.4 2.8 17 17 A A S S+ 0 0 106 1,-0.2 -1,-0.1 6,-0.1 6,-0.0 0.884 130.1 29.5 -57.6 -45.6 44.3 -20.0 1.2 18 18 A L S S- 0 0 54 2,-0.2 -1,-0.2 144,-0.0 146,-0.2 0.620 97.6-136.3 -86.5 -16.9 41.0 -18.3 2.1 19 19 A N S S+ 0 0 14 1,-0.2 2,-0.3 168,-0.1 167,-0.1 0.964 70.9 101.7 49.0 56.4 42.6 -14.8 2.1 20 20 A A S > S- 0 0 2 167,-0.2 3,-2.0 1,-0.1 -1,-0.2 -0.966 92.8 -95.0-158.3 167.1 40.7 -14.1 5.3 21 21 A I G > S+ 0 0 0 181,-0.3 3,-1.8 -2,-0.3 6,-0.2 0.804 117.3 68.8 -61.3 -28.8 41.2 -13.9 9.1 22 22 A T G 3 S+ 0 0 12 1,-0.3 140,-0.3 140,-0.2 -1,-0.3 0.472 72.6 86.8 -72.6 -2.0 40.0 -17.6 9.3 23 23 A D G < S+ 0 0 28 -3,-2.0 2,-0.8 2,-0.1 -1,-0.3 0.708 73.6 83.4 -64.3 -20.3 43.3 -18.6 7.6 24 24 A V S X S- 0 0 0 -3,-1.8 3,-1.6 -4,-0.2 230,-0.0 -0.803 101.6-113.5 -81.5 113.4 44.4 -18.5 11.2 25 25 A A T 3 S+ 0 0 81 -2,-0.8 3,-0.1 1,-0.2 -2,-0.1 -0.167 91.8 17.0 -59.4 136.5 43.4 -22.0 12.3 26 26 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.2 -4,-0.2 2,-0.2 0.122 86.6 127.8 93.1 -20.9 40.6 -22.2 14.9 27 27 A V < - 0 0 2 -3,-1.6 2,-0.4 -6,-0.2 -1,-0.3 -0.517 41.9-161.4 -67.2 134.6 39.3 -18.7 14.5 28 28 A E E -A 56 0A 44 28,-2.1 28,-2.7 -2,-0.2 2,-0.4 -0.966 6.2-165.2-121.9 138.6 35.5 -18.6 13.9 29 29 A V E +AB 55 160A 10 131,-2.6 131,-2.0 -2,-0.4 2,-0.3 -0.971 8.3 176.7-123.8 136.7 33.4 -15.7 12.5 30 30 A G E -A 54 0A 6 24,-2.2 24,-2.9 -2,-0.4 2,-0.4 -0.986 8.3-161.4-136.6 148.1 29.6 -15.3 12.5 31 31 A H E -A 53 0A 46 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.976 11.4-165.8-125.9 143.2 27.3 -12.5 11.4 32 32 A T E -A 52 0A 19 20,-2.5 20,-2.0 -2,-0.4 2,-0.5 -0.994 18.7-163.2-119.1 124.5 23.7 -11.5 12.1 33 33 A T E -A 51 0A 57 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.921 4.1-163.6-111.4 124.2 22.4 -9.0 9.5 34 34 A V E +A 50 0A 13 16,-3.0 16,-2.1 -2,-0.5 2,-0.5 -0.901 20.4 157.7-116.0 104.8 19.3 -6.9 10.2 35 35 A I E +A 49 0A 89 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.956 17.6 134.9-128.9 108.7 17.7 -5.3 7.2 36 36 A S E +A 48 0A 62 12,-2.0 12,-2.6 -2,-0.5 -2,-0.0 -0.991 38.5 26.9-155.4 149.2 14.0 -4.3 7.5 37 37 A G - 0 0 40 -2,-0.3 2,-0.3 10,-0.2 -1,-0.1 0.094 55.3-136.3 84.5 159.3 11.7 -1.4 6.7 38 38 A D + 0 0 130 2,-0.1 2,-0.1 9,-0.1 308,-0.1 -0.971 52.2 15.3-146.9 156.9 11.9 1.3 4.1 39 39 A G S S+ 0 0 13 306,-0.5 308,-2.6 -2,-0.3 309,-0.6 -0.392 96.3 25.0 85.3-152.3 11.3 5.1 3.9 40 40 A A S S- 0 0 79 307,-0.2 2,-0.3 306,-0.2 -2,-0.1 -0.181 74.6-124.1 -59.8 135.8 11.0 7.7 6.6 41 41 A M - 0 0 41 99,-0.0 2,-0.4 3,-0.0 -1,-0.1 -0.626 25.0-177.1 -84.0 133.9 12.7 6.9 9.9 42 42 A V B >> -F 46 0B 88 4,-2.2 3,-2.8 -2,-0.3 4,-0.7 -0.993 38.1-110.6-125.4 122.4 10.8 7.0 13.2 43 43 A I T 34 S+ 0 0 55 -2,-0.4 99,-0.0 1,-0.3 98,-0.0 -0.305 106.3 19.2 -58.7 119.4 12.8 6.3 16.3 44 44 A G T 34 S+ 0 0 34 -2,-0.1 -1,-0.3 97,-0.1 -3,-0.0 0.315 120.9 64.1 103.4 -4.2 11.8 2.9 17.6 45 45 A K T <4 S- 0 0 169 -3,-2.8 -2,-0.2 1,-0.3 3,-0.2 0.396 85.5-173.4-129.0 -1.3 10.3 1.7 14.4 46 46 A G B < -F 42 0B 3 -4,-0.7 -4,-2.2 1,-0.3 -1,-0.3 -0.432 54.2-135.8 83.8-164.6 13.2 1.6 11.9 47 47 A P - 0 0 3 0, 0.0 94,-1.4 0, 0.0 2,-0.4 0.443 52.4-153.8 -63.5 155.4 14.0 1.3 9.1 48 48 A Y E +A 36 0A 31 -12,-2.6 -12,-2.0 92,-0.2 92,-0.1 -0.901 32.2 162.6-110.8 133.1 16.9 -0.9 10.4 49 49 A R E +A 35 0A 11 -2,-0.4 2,-0.2 -14,-0.2 -14,-0.2 -0.647 47.5 99.4-141.7 79.4 20.2 -1.5 8.7 50 50 A T E +A 34 0A 0 -16,-2.1 -16,-3.0 123,-0.2 2,-0.3 -0.742 32.9 152.0-148.6-171.2 22.4 -2.9 11.5 51 51 A G E -A 33 0A 0 -18,-0.2 48,-0.8 -2,-0.2 2,-0.3 -0.983 34.5 -94.9 164.2-169.3 23.8 -6.2 12.9 52 52 A V E -AC 32 98A 0 -20,-2.0 -20,-2.5 -2,-0.3 2,-0.4 -0.999 15.9-155.0-145.1 141.6 26.6 -7.8 14.8 53 53 A T E -AC 31 97A 0 44,-2.6 44,-2.7 -2,-0.3 2,-0.4 -0.964 13.9-160.4-114.2 135.3 29.8 -9.7 13.8 54 54 A I E -AC 30 96A 0 -24,-2.9 -24,-2.2 -2,-0.4 2,-0.5 -0.938 7.1-170.1-117.8 135.6 31.3 -12.2 16.3 55 55 A I E -AC 29 95A 0 40,-2.3 40,-2.6 -2,-0.4 -26,-0.2 -0.969 6.0-162.7-124.7 114.0 34.9 -13.5 16.2 56 56 A H E > -A 28 0A 6 -28,-2.7 -28,-2.1 -2,-0.5 3,-0.8 -0.872 6.8-158.5 -91.7 111.2 35.8 -16.4 18.5 57 57 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.829 92.7 16.3 -60.0 -33.8 39.6 -16.4 18.8 58 58 A L T 3 S- 0 0 47 1,-0.4 3,-0.2 6,-0.1 -31,-0.2 0.065 127.7 -81.2-126.1 19.2 39.8 -20.1 19.8 59 59 A G X - 0 0 9 -3,-0.8 3,-1.5 1,-0.1 -1,-0.4 0.039 50.2 -75.1 92.8 157.5 36.3 -21.2 18.7 60 60 A K T 3 S+ 0 0 57 1,-0.3 -1,-0.1 99,-0.1 -33,-0.0 0.673 125.0 53.2 -67.2 -19.6 32.9 -20.9 20.3 61 61 A T T 3 S+ 0 0 128 -3,-0.2 -1,-0.3 -5,-0.1 2,-0.2 0.546 82.1 113.5 -93.6 -5.9 33.5 -23.7 22.9 62 62 A S < - 0 0 27 -3,-1.5 31,-0.2 1,-0.1 -4,-0.1 -0.437 39.3-177.6 -70.8 134.8 36.7 -22.3 24.4 63 63 A L + 0 0 51 -2,-0.2 -1,-0.1 -5,-0.1 2,-0.1 0.326 56.9 101.7-101.0 1.3 36.8 -21.0 28.0 64 64 A D - 0 0 51 235,-0.1 29,-0.6 -6,-0.1 2,-0.2 -0.375 68.6-120.0 -89.8 165.0 40.5 -20.0 27.6 65 65 A G E -GH 92 298C 0 233,-2.6 233,-2.8 27,-0.2 2,-0.4 -0.631 16.7-140.4 -97.8 159.9 42.1 -16.6 27.1 66 66 A V E -GH 91 297C 2 25,-1.7 25,-1.3 231,-0.2 231,-0.2 -0.940 27.7-105.9-116.0 142.4 44.3 -15.4 24.2 67 67 A A E +G 90 0C 0 229,-2.4 226,-2.0 226,-0.4 2,-0.3 -0.449 53.9 175.6 -59.8 139.5 47.3 -13.2 24.5 68 68 A A E - H 0 292C 1 21,-2.3 2,-0.3 224,-0.2 224,-0.2 -0.992 24.9-179.1-151.4 153.8 46.3 -9.7 23.2 69 69 A G E - H 0 291C 2 222,-2.4 222,-2.8 -2,-0.3 2,-0.2 -0.987 14.2-152.7-152.4 153.6 47.4 -6.1 22.7 70 70 A R E - H 0 290C 26 -2,-0.3 2,-0.3 220,-0.2 220,-0.2 -0.753 6.7-161.5-128.0 168.4 45.8 -3.0 21.2 71 71 A A E - H 0 289C 14 218,-2.4 218,-2.4 -2,-0.2 2,-0.5 -0.986 11.2-144.9-144.3 152.4 46.5 0.3 19.5 72 72 A V E + H 0 288C 50 -2,-0.3 216,-0.2 216,-0.2 3,-0.1 -0.978 18.7 173.5-122.2 126.4 44.5 3.5 19.0 73 73 A I E S- 0 0 12 214,-2.7 2,-0.3 -2,-0.5 215,-0.2 0.856 89.4 -9.2 -89.3 -49.3 44.6 5.7 15.9 74 74 A N E - H 0 287C 0 213,-1.9 213,-2.2 210,-0.0 -1,-0.3 -0.900 68.5-152.4-149.5 117.8 41.8 8.0 17.1 75 75 A G + 0 0 1 -2,-0.3 2,-2.0 211,-0.2 747,-0.3 0.081 51.6 125.0 -91.1 25.9 39.9 7.0 20.2 76 76 A T + 0 0 7 209,-0.4 210,-0.5 746,-0.1 2,-0.3 -0.512 66.4 55.2 -80.1 76.2 36.5 8.6 19.7 77 77 A G S S- 0 0 0 -2,-2.0 2,-0.4 208,-0.1 742,-0.3 -0.966 84.7 -86.4 179.6-178.8 34.5 5.4 20.0 78 78 A E + 0 0 1 -2,-0.3 55,-1.7 55,-0.3 2,-0.2 -0.925 34.3 160.2-117.5 141.4 33.8 2.4 22.3 79 79 A W B > -D 132 0A 3 -2,-0.4 3,-0.7 53,-0.2 53,-0.3 -0.751 25.6-154.7-154.5 103.6 35.6 -0.9 22.6 80 80 A T T 3 S+ 0 0 0 51,-3.0 51,-0.1 -2,-0.2 733,-0.1 -0.374 72.6 41.2 -82.4 162.1 35.0 -2.7 25.9 81 81 A G T 3> S+ 0 0 0 49,-0.2 4,-1.7 731,-0.1 -1,-0.2 0.412 82.2 112.4 84.5 -1.2 37.4 -5.2 27.5 82 82 A M H <> + 0 0 3 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.793 67.5 55.5 -81.9 -29.1 40.3 -3.0 26.6 83 83 A H H > S+ 0 0 5 729,-0.2 4,-2.1 2,-0.2 727,-0.2 0.915 109.5 51.8 -61.9 -41.8 41.4 -1.9 30.1 84 84 A L H > S+ 0 0 13 728,-0.3 4,-2.8 2,-0.2 5,-0.5 0.945 110.0 47.1 -56.5 -51.6 41.6 -5.7 30.8 85 85 A V H X S+ 0 0 4 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.918 112.0 50.3 -56.6 -46.6 43.8 -6.2 27.7 86 86 A D H < S+ 0 0 63 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.855 118.3 39.8 -59.9 -37.4 46.0 -3.3 28.7 87 87 A E H < S+ 0 0 5 -4,-2.1 -2,-0.2 723,-0.3 -3,-0.2 0.971 132.0 15.3 -81.0 -57.6 46.4 -4.6 32.2 88 88 A V H < S- 0 0 3 -4,-2.8 590,-0.3 2,-0.2 -3,-0.2 0.367 93.1-122.8-105.9 1.8 46.8 -8.4 32.0 89 89 A G S < S+ 0 0 3 -4,-1.6 -21,-2.3 -5,-0.5 2,-0.3 0.719 79.4 72.4 67.5 26.4 47.6 -8.9 28.2 90 90 A Q E -G 67 0C 8 -6,-0.4 2,-0.3 -23,-0.3 -2,-0.2 -0.982 57.6-152.3-157.3 161.7 44.7 -11.2 27.5 91 91 A F E -G 66 0C 1 -25,-1.3 -25,-1.7 -2,-0.3 2,-0.3 -0.989 12.3-139.1-138.4 152.6 40.9 -11.4 27.0 92 92 A L E +G 65 0C 24 -2,-0.3 38,-0.2 36,-0.2 -27,-0.2 -0.755 61.9 10.8-101.6 152.9 38.3 -14.1 27.5 93 93 A G S S- 0 0 18 -29,-0.6 -27,-0.1 -2,-0.3 -2,-0.1 -0.116 95.5 -34.7 78.8-174.9 35.4 -14.8 25.2 94 94 A P - 0 0 6 0, 0.0 36,-0.9 0, 0.0 2,-0.5 -0.274 48.9-119.8 -81.2 163.1 34.4 -13.5 21.8 95 95 A I E -Ce 55 130A 0 -40,-2.6 -40,-2.3 34,-0.1 2,-0.5 -0.917 27.2-160.5 -96.3 129.0 35.0 -10.1 20.1 96 96 A A E -Ce 54 131A 0 34,-2.5 36,-2.6 -2,-0.5 2,-0.4 -0.953 6.6-169.3-110.8 130.6 31.7 -8.4 19.0 97 97 A L E +Ce 53 132A 0 -44,-2.7 -44,-2.6 -2,-0.5 74,-0.3 -0.962 28.8 137.8-113.7 132.0 31.7 -5.7 16.4 98 98 A T E -Ce 52 133A 0 34,-2.4 36,-1.5 -2,-0.4 2,-0.2 -0.854 52.5 -62.8-156.5-176.7 28.4 -3.8 16.0 99 99 A G E > - e 0 134A 0 -48,-0.8 3,-2.4 -2,-0.2 4,-0.3 -0.611 50.0-112.9 -81.6 149.2 26.6 -0.5 15.6 100 100 A T G > S+ 0 0 5 34,-1.4 3,-1.3 1,-0.3 4,-0.3 0.823 114.2 57.6 -51.1 -40.4 27.0 2.2 18.3 101 101 A G G 3 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.635 104.7 54.2 -68.5 -11.6 23.3 2.0 19.4 102 102 A N G <> S+ 0 0 6 -3,-2.4 4,-2.5 1,-0.1 5,-0.3 0.427 74.4 102.3-101.9 -4.0 23.7 -1.8 20.1 103 103 A V H <> S+ 0 0 2 -3,-1.3 4,-2.5 -4,-0.3 5,-0.1 0.894 83.9 42.6 -55.6 -50.9 26.7 -1.8 22.5 104 104 A G H > S+ 0 0 2 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.885 114.4 50.5 -65.1 -41.6 24.8 -2.3 25.8 105 105 A L H > S+ 0 0 27 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 113.2 46.2 -61.4 -43.3 22.4 -5.0 24.4 106 106 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.926 110.8 53.8 -65.6 -43.4 25.3 -7.0 22.9 107 107 A H H X S+ 0 0 4 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.940 113.9 40.0 -56.5 -52.8 27.3 -6.7 26.2 108 108 A Q H X S+ 0 0 27 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.871 112.1 57.1 -66.7 -36.7 24.5 -8.1 28.3 109 109 A S H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.859 102.8 55.0 -63.2 -34.7 23.5 -10.7 25.7 110 110 A M H X S+ 0 0 7 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.906 109.0 47.5 -66.6 -39.0 27.1 -12.0 25.8 111 111 A M H >X S+ 0 0 4 -4,-1.4 4,-1.0 2,-0.2 3,-0.9 0.960 112.2 49.4 -60.9 -52.0 26.8 -12.5 29.6 112 112 A D H >< S+ 0 0 24 -4,-2.6 3,-0.7 1,-0.3 -2,-0.2 0.882 104.9 59.7 -53.6 -42.3 23.4 -14.2 29.2 113 113 A W H 3< S+ 0 0 13 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.833 101.6 53.9 -57.1 -34.9 24.9 -16.5 26.6 114 114 A S H XX S+ 0 0 2 -4,-1.1 4,-1.9 -3,-0.9 3,-1.8 0.783 83.7 99.3 -73.1 -27.5 27.4 -17.8 29.1 115 115 A V B << S+n 118 0D 53 -4,-1.0 5,-0.0 -3,-0.7 -3,-0.0 -0.450 97.2 11.4 -64.4 121.8 24.7 -18.8 31.6 116 116 A G T 34 S+ 0 0 80 2,-0.5 -1,-0.3 -2,-0.3 -2,-0.1 0.162 124.3 64.9 95.7 -18.7 24.1 -22.5 31.2 117 117 A K T <4 S+ 0 0 111 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.603 96.1 57.9-105.7 -20.4 27.2 -23.0 29.0 118 118 A V B < S-n 115 0D 12 -4,-1.9 -2,-0.5 2,-0.0 -1,-0.1 -0.944 94.0-104.0-119.7 130.5 29.9 -22.2 31.5 119 119 A P >> - 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