==== 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/ANTIBIOTIC 08-JUN-10 3NDV . 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 . 1465 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 980 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 296 20.2 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 . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 103 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 8 0 4 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 18 20 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 0 116 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-179.3 47.0 -19.0 -12.8 2 2 A P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 354,-0.0 -0.395 360.0-152.3 -68.3 143.5 43.3 -18.2 -13.8 3 3 A R >> - 0 0 54 -2,-0.1 4,-0.9 336,-0.0 3,-0.5 -0.444 42.3 -81.7-101.1-176.5 40.7 -17.8 -11.1 4 4 A A G >4>S+ 0 0 0 1,-0.3 5,-1.7 2,-0.2 3,-1.4 0.912 129.3 50.8 -60.0 -45.3 37.0 -18.5 -11.6 5 5 A R G >45S+ 0 0 85 1,-0.3 3,-1.6 3,-0.2 -1,-0.3 0.850 104.6 60.2 -58.8 -33.7 36.2 -15.3 -13.3 6 6 A D G <45S+ 0 0 111 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.722 100.4 54.8 -69.2 -20.7 39.1 -15.8 -15.7 7 7 A L G <<5S- 0 0 22 -3,-1.4 -1,-0.3 -4,-0.9 356,-0.2 0.309 127.9 -97.4 -93.2 7.4 37.5 -19.0 -16.9 8 8 A G T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.563 72.9 148.5 91.8 8.9 34.3 -17.2 -17.8 9 9 A V < - 0 0 4 -5,-1.7 -1,-0.3 1,-0.0 2,-0.3 -0.677 38.7-142.1 -77.4 123.2 32.3 -18.0 -14.6 10 10 A P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 207,-0.0 -0.634 21.5 179.4 -84.9 142.5 29.9 -15.1 -13.9 11 11 A F - 0 0 24 -2,-0.3 2,-0.2 2,-0.1 316,-0.0 -0.965 25.7-116.9-134.8 157.3 29.2 -13.9 -10.4 12 12 A E S S+ 0 0 26 -2,-0.3 2,-0.1 2,-0.1 0, 0.0 -0.598 71.1 30.2 -88.5 153.7 27.0 -11.1 -9.0 13 13 A G S S- 0 0 40 -2,-0.2 -2,-0.1 1,-0.1 178,-0.1 -0.221 88.2 -70.5 95.2 176.3 28.4 -8.1 -7.0 14 14 A T - 0 0 90 176,-0.4 176,-3.0 -2,-0.1 -2,-0.1 -0.939 41.9-145.1-114.4 114.8 31.6 -6.2 -7.0 15 15 A P - 0 0 33 0, 0.0 174,-0.2 0, 0.0 186,-0.1 -0.325 23.8-107.9 -69.1 159.3 34.8 -7.8 -5.6 16 16 A G - 0 0 11 184,-0.2 3,-0.4 4,-0.1 172,-0.1 -0.207 49.0 -82.0 -71.2 177.4 37.4 -5.8 -3.7 17 17 A A S S+ 0 0 107 1,-0.3 -1,-0.1 6,-0.1 6,-0.0 0.861 131.1 28.9 -54.8 -43.6 40.7 -5.1 -5.4 18 18 A L S S- 0 0 57 2,-0.2 -1,-0.3 144,-0.0 146,-0.2 0.589 96.6-134.3 -92.3 -12.5 42.3 -8.5 -4.6 19 19 A N S S+ 0 0 14 -3,-0.4 2,-0.3 1,-0.2 167,-0.1 0.959 72.0 101.7 51.0 55.1 39.1 -10.4 -4.6 20 20 A A S > S- 0 0 1 167,-0.2 3,-2.0 1,-0.0 -1,-0.2 -0.960 92.8 -94.7-157.5 167.8 40.3 -12.1 -1.4 21 21 A I G > S+ 0 0 0 181,-0.3 3,-1.9 -2,-0.3 6,-0.2 0.799 116.7 70.5 -63.2 -26.2 39.8 -11.9 2.4 22 22 A T G 3 S+ 0 0 14 1,-0.3 140,-0.3 140,-0.2 -1,-0.3 0.528 73.2 84.0 -71.1 -5.9 42.8 -9.6 2.6 23 23 A D G < S+ 0 0 32 -3,-2.0 2,-0.6 2,-0.1 -1,-0.3 0.710 76.1 85.7 -63.1 -19.7 40.7 -6.9 0.9 24 24 A V S X S- 0 0 0 -3,-1.9 3,-1.7 -4,-0.2 230,-0.1 -0.771 97.7-112.0 -84.0 120.1 39.7 -6.4 4.5 25 25 A A T 3 S+ 0 0 72 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.221 96.9 22.5 -56.6 134.6 42.2 -4.1 6.2 26 26 A G T 3 S+ 0 0 43 1,-0.3 2,-0.2 -4,-0.2 -1,-0.2 -0.065 88.8 125.8 103.8 -29.3 44.4 -5.7 8.8 27 27 A V < - 0 0 5 -3,-1.7 2,-0.4 -6,-0.2 -1,-0.3 -0.439 34.7-175.5 -77.2 128.5 44.0 -9.3 7.7 28 28 A E E -A 56 0A 42 28,-2.0 28,-2.6 -2,-0.2 2,-0.4 -0.955 5.6-161.5-117.6 144.1 47.1 -11.4 7.0 29 29 A V E +AB 55 160A 9 131,-2.5 131,-2.1 -2,-0.4 2,-0.3 -0.975 9.5 177.3-124.7 139.0 47.1 -15.0 5.6 30 30 A G E -A 54 0A 5 24,-2.3 24,-3.2 -2,-0.4 2,-0.4 -0.991 6.9-164.7-137.6 147.6 49.9 -17.6 5.7 31 31 A H E -A 53 0A 45 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.971 11.1-166.1-127.4 145.9 50.2 -21.2 4.6 32 32 A T E -A 52 0A 17 20,-2.2 20,-2.0 -2,-0.4 2,-0.5 -0.993 18.4-162.3-123.6 127.8 52.5 -24.0 5.2 33 33 A T E -A 51 0A 58 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.930 4.9-162.7-116.6 126.6 52.1 -26.9 2.7 34 34 A V E +A 50 0A 14 16,-3.0 16,-2.1 -2,-0.5 2,-0.5 -0.926 19.4 159.9-117.8 108.6 53.4 -30.4 3.4 35 35 A I E +A 49 0A 91 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.958 15.5 140.6-130.9 109.2 53.7 -32.7 0.4 36 36 A S E +A 48 0A 55 12,-1.9 12,-2.7 -2,-0.5 -2,-0.0 -0.988 40.7 13.6-151.8 142.5 56.1 -35.7 0.7 37 37 A G - 0 0 45 -2,-0.3 2,-0.3 10,-0.2 -1,-0.1 0.171 54.5-134.9 82.6 159.1 56.1 -39.3 -0.4 38 38 A D + 0 0 119 2,-0.1 2,-0.2 9,-0.1 308,-0.1 -0.955 52.8 24.8-145.7 162.1 54.1 -41.4 -2.7 39 39 A G B S+f 346 0B 14 306,-0.5 308,-2.4 -2,-0.3 309,-0.7 -0.493 95.1 20.4 88.0-149.5 52.4 -44.8 -2.9 40 40 A A S S- 0 0 76 307,-0.2 2,-0.3 306,-0.2 -2,-0.1 -0.268 74.3-122.2 -69.0 140.4 51.1 -47.0 -0.1 41 41 A M - 0 0 38 99,-0.0 2,-0.4 3,-0.0 -1,-0.1 -0.625 25.4-177.6 -84.7 134.5 50.3 -45.4 3.2 42 42 A V > - 0 0 78 4,-2.3 3,-2.9 -2,-0.3 4,-0.3 -0.990 38.5-111.5-126.3 123.0 52.0 -46.6 6.4 43 43 A I T 3 S+ 0 0 54 -2,-0.4 99,-0.0 1,-0.3 98,-0.0 -0.321 105.8 20.4 -60.2 121.5 50.8 -44.7 9.5 44 44 A G T 3 S+ 0 0 42 -2,-0.1 -1,-0.3 97,-0.1 -3,-0.0 0.302 121.2 63.3 101.2 -6.1 53.6 -42.6 10.8 45 45 A K S < S- 0 0 164 -3,-2.9 -2,-0.2 1,-0.3 3,-0.1 0.205 85.9-173.1-135.2 14.2 55.4 -42.7 7.4 46 46 A G - 0 0 2 -4,-0.3 -4,-2.3 1,-0.3 -1,-0.3 -0.194 55.3-135.2 75.2-166.7 53.1 -40.9 5.0 47 47 A P - 0 0 4 0, 0.0 94,-1.8 0, 0.0 2,-0.4 0.416 53.6-155.0 -62.8 156.3 52.6 -40.1 2.2 48 48 A Y E +A 36 0A 30 -12,-2.7 -12,-1.9 92,-0.2 2,-0.2 -0.924 31.6 161.8-113.4 131.8 51.7 -36.7 3.6 49 49 A R E +A 35 0A 10 -2,-0.4 2,-0.2 -14,-0.2 125,-0.2 -0.686 46.4 98.3-141.4 84.3 49.4 -34.2 1.9 50 50 A T E +A 34 0A 0 -16,-2.1 -16,-3.0 123,-0.2 2,-0.3 -0.768 32.2 150.4-151.7-169.5 48.5 -31.8 4.7 51 51 A G E -A 33 0A 0 -18,-0.2 48,-0.8 -2,-0.2 2,-0.3 -0.979 35.8 -91.4 159.9-167.7 49.4 -28.4 6.2 52 52 A V E -AC 32 98A 0 -20,-2.0 -20,-2.2 -2,-0.3 2,-0.4 -0.998 17.2-154.3-144.8 142.6 48.1 -25.4 8.1 53 53 A T E -AC 31 97A 0 44,-2.9 44,-2.8 -2,-0.3 2,-0.4 -0.974 13.5-159.2-117.4 132.6 46.5 -22.0 7.1 54 54 A I E -AC 30 96A 0 -24,-3.2 -24,-2.3 -2,-0.4 2,-0.5 -0.930 8.2-171.2-113.8 135.6 46.8 -19.0 9.4 55 55 A I E -AC 29 95A 0 40,-2.4 40,-2.7 -2,-0.4 -26,-0.2 -0.979 5.8-163.9-123.0 114.0 44.5 -15.9 9.4 56 56 A H E > -A 28 0A 5 -28,-2.6 -28,-2.0 -2,-0.5 3,-0.9 -0.888 7.6-157.0 -93.8 112.0 45.6 -13.0 11.6 57 57 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.833 92.9 16.2 -58.7 -34.7 42.6 -10.8 11.9 58 58 A L T 3 S- 0 0 44 1,-0.4 3,-0.2 6,-0.1 -31,-0.2 0.032 127.5 -80.4-125.9 22.0 44.6 -7.7 12.8 59 59 A G X - 0 0 12 -3,-0.9 3,-1.7 1,-0.1 -1,-0.4 0.045 52.3 -74.2 90.2 159.2 48.1 -8.9 11.7 60 60 A K T 3 S+ 0 0 55 1,-0.3 -1,-0.1 99,-0.1 -33,-0.0 0.637 125.5 55.9 -68.7 -15.6 50.6 -11.1 13.4 61 61 A T T 3 S+ 0 0 126 -3,-0.2 -1,-0.3 -5,-0.1 2,-0.2 0.524 80.5 114.7 -94.8 -3.4 51.7 -8.5 16.0 62 62 A S < + 0 0 25 -3,-1.7 31,-0.2 1,-0.1 -4,-0.1 -0.464 37.4 180.0 -76.2 131.8 48.3 -7.9 17.4 63 63 A L + 0 0 49 -2,-0.2 -1,-0.1 29,-0.1 2,-0.1 0.271 56.6 101.5-102.9 7.5 47.6 -8.8 21.0 64 64 A D - 0 0 53 235,-0.1 29,-0.6 236,-0.1 2,-0.2 -0.393 69.4-115.6 -95.8 167.0 44.0 -7.5 20.8 65 65 A G E -GH 92 298C 0 233,-2.6 233,-2.9 27,-0.2 2,-0.4 -0.638 17.3-145.9 -95.9 155.5 40.6 -9.2 20.3 66 66 A V E -GH 91 297C 3 25,-1.7 25,-1.3 231,-0.2 231,-0.2 -0.966 28.0-107.7-116.6 140.9 38.2 -8.9 17.4 67 67 A A E +G 90 0C 0 229,-2.3 226,-2.1 226,-0.4 2,-0.3 -0.420 52.4 172.9 -59.7 141.6 34.4 -9.0 17.7 68 68 A A E - H 0 292C 1 21,-2.1 2,-0.3 224,-0.2 224,-0.2 -0.990 25.4-177.2-155.8 154.8 33.2 -12.3 16.4 69 69 A G E - H 0 291C 2 222,-2.2 222,-3.0 -2,-0.3 2,-0.2 -0.972 15.5-152.2-153.8 151.6 30.2 -14.6 16.0 70 70 A R E - H 0 290C 24 -2,-0.3 2,-0.3 220,-0.2 220,-0.2 -0.713 6.0-158.6-124.5 170.4 29.8 -18.0 14.5 71 71 A A E - H 0 289C 13 218,-2.6 218,-2.7 -2,-0.2 2,-0.5 -0.986 10.7-143.7-144.7 151.7 27.3 -20.4 12.8 72 72 A V E + H 0 288C 50 -2,-0.3 216,-0.2 216,-0.2 3,-0.1 -0.966 19.1 172.6-116.4 128.6 27.0 -24.1 12.4 73 73 A I E S- 0 0 10 214,-2.8 2,-0.3 -2,-0.5 215,-0.2 0.821 88.9 -10.3 -91.1 -50.0 25.6 -25.8 9.2 74 74 A N E - H 0 287C 0 213,-2.0 213,-2.1 210,-0.0 -1,-0.3 -0.904 68.4-150.5-149.6 121.3 26.5 -29.3 10.4 75 75 A G + 0 0 1 -2,-0.3 2,-2.1 211,-0.2 381,-0.3 0.088 53.3 123.4 -90.9 25.0 28.7 -29.7 13.5 76 76 A T + 0 0 7 209,-0.4 210,-0.5 380,-0.1 2,-0.3 -0.486 67.0 58.0 -82.2 72.2 30.6 -32.9 12.9 77 77 A G S S- 0 0 0 -2,-2.1 2,-0.4 208,-0.1 376,-0.3 -0.973 83.8 -89.7-177.2 176.9 34.0 -31.4 13.3 78 78 A E + 0 0 1 -2,-0.3 55,-1.8 55,-0.2 2,-0.3 -0.886 34.0 160.5-113.4 139.8 36.3 -29.4 15.6 79 79 A W B > -D 132 0A 3 -2,-0.4 3,-0.7 53,-0.2 53,-0.3 -0.787 25.3-154.3-153.2 104.7 36.7 -25.6 15.9 80 80 A T T 3 S+ 0 0 0 51,-2.8 367,-0.1 -2,-0.3 48,-0.1 -0.353 72.8 38.8 -83.2 162.7 38.3 -24.5 19.1 81 81 A G T 3> S+ 0 0 0 49,-0.2 4,-2.0 365,-0.1 -1,-0.2 0.462 82.9 112.1 79.0 1.4 37.9 -21.1 20.8 82 82 A M H <> + 0 0 3 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.813 68.6 55.9 -81.7 -30.8 34.2 -21.2 19.8 83 83 A H H > S+ 0 0 3 2,-0.2 4,-2.0 363,-0.2 361,-0.2 0.932 109.8 50.3 -61.4 -41.0 32.8 -21.5 23.3 84 84 A L H >>S+ 0 0 13 362,-0.3 4,-2.6 2,-0.2 5,-0.6 0.946 110.1 48.3 -58.4 -51.1 34.7 -18.3 23.9 85 85 A V H X5S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.937 111.9 49.7 -56.6 -47.1 33.3 -16.6 20.9 86 86 A D H <5S+ 0 0 60 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.869 118.7 39.4 -57.9 -39.0 29.7 -17.6 21.8 87 87 A E H <5S+ 0 0 4 -4,-2.0 -2,-0.2 357,-0.3 -3,-0.2 0.968 132.2 16.2 -79.7 -58.3 30.2 -16.3 25.4 88 88 A V H <5S- 0 0 2 -4,-2.6 959,-0.3 2,-0.3 -3,-0.2 0.417 93.6-124.9-104.0 1.7 32.2 -13.0 25.2 89 89 A G S < - e 0 134A 0 -48,-0.8 3,-2.4 -2,-0.2 4,-0.4 -0.580 50.7-112.9 -80.5 147.5 43.8 -31.3 8.8 100 100 A T G > S+ 0 0 4 34,-1.4 3,-1.2 1,-0.3 4,-0.3 0.831 115.1 56.5 -49.9 -40.9 42.0 -33.2 11.6 101 101 A G G 3 S+ 0 0 4 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.627 104.7 55.1 -70.0 -11.1 45.0 -35.1 12.7 102 102 A N G <> S+ 0 0 6 -3,-2.4 4,-2.8 1,-0.1 5,-0.3 0.443 75.0 99.1 -99.2 -6.8 46.9 -31.8 13.3 103 103 A V H <> S+ 0 0 2 -3,-1.2 4,-2.5 -4,-0.4 5,-0.2 0.895 85.1 44.0 -56.1 -50.4 44.5 -30.0 15.6 104 104 A G H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 5,-0.3 0.915 115.1 48.9 -60.0 -47.1 46.3 -30.8 18.9 105 105 A L H > S+ 0 0 24 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.922 114.2 45.5 -60.2 -44.2 49.8 -30.1 17.5 106 106 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.905 111.0 54.0 -66.0 -41.0 48.6 -26.7 16.1 107 107 A H H X S+ 0 0 2 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.937 113.8 40.2 -61.3 -49.6 46.8 -25.8 19.3 108 108 A Q H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.888 112.1 57.3 -69.2 -35.8 49.9 -26.3 21.5 109 109 A S H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.861 102.4 54.8 -61.7 -35.3 52.2 -24.7 18.9 110 110 A M H X S+ 0 0 7 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.867 109.1 47.9 -69.1 -34.9 50.1 -21.5 18.9 111 111 A M H >X S+ 0 0 3 -4,-1.2 4,-1.0 2,-0.2 3,-0.6 0.944 111.8 49.7 -63.3 -50.1 50.6 -21.4 22.7 112 112 A D H >< S+ 0 0 26 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.875 105.5 58.6 -55.7 -41.5 54.4 -22.0 22.3 113 113 A W H 3< S+ 0 0 10 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.840 101.1 55.2 -57.8 -36.6 54.5 -19.3 19.6 114 114 A S H XX S+ 0 0 2 -4,-1.1 4,-2.3 -3,-0.6 3,-1.4 0.783 83.1 100.3 -70.9 -28.0 53.2 -16.6 22.1 115 115 A V B << S+n 118 0D 53 -4,-1.0 5,-0.0 -3,-0.6 -3,-0.0 -0.433 96.2 10.6 -64.9 125.8 56.0 -17.4 24.6 116 116 A G T 34 S+ 0 0 79 2,-0.6 -1,-0.3 -2,-0.2 -2,-0.1 0.051 124.7 64.9 92.9 -25.6 58.6 -14.7 24.3 117 117 A K T <4 S+ 0 0 110 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.696 98.0 56.1 -97.4 -25.2 56.5 -12.5 22.0 118 118 A V B < S-n 115 0D 11 -4,-2.3 -2,-0.6 2,-0.0 -1,-0.1 -0.915 94.5-105.2-114.6 131.3 53.8 -11.8 24.6 119 119 A P >> - 0 0 57 0, 0.0 3,-2.5 0, 0.0 4,-0.8 -0.261 30.2-121.1 -50.1 135.6 54.4 -10.2 28.0 120 120 A E T 34 S+ 0 0 127 1,-0.3 4,-0.3 2,-0.2 3,-0.3 0.741 114.8 62.1 -52.1 -23.8 54.1 -12.8 30.7 121 121 A E T 34 S+ 0 0 167 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.765 110.3 37.5 -74.4 -26.2 51.4 -10.6 32.1 122 122 A A T X4 S+ 0 0 11 -3,-2.5 3,-1.2 1,-0.1 -2,-0.2 0.362 87.4 100.9-104.6 2.6 49.3 -11.1 29.0 123 123 A L G >< S+ 0 0 8 -4,-0.8 3,-2.4 -3,-0.3 -1,-0.1 0.827 71.6 63.7 -59.2 -35.4 50.1 -14.7 28.3 124 124 A F G > S+ 0 0 109 -4,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.799 92.1 67.1 -64.7 -23.8 46.9 -16.1 29.8 125 125 A S G < S+ 0 0 18 -3,-1.2 3,-0.3 1,-0.3 -1,-0.3 0.573 95.7 57.6 -65.6 -9.7 45.1 -14.3 26.9 126 126 A R G < S+ 0 0 20 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.231 80.4 91.2-105.9 12.7 46.8 -16.7 24.5 127 127 A L S < S+ 0 0 6 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.400 76.2 59.2 -97.7 2.9 45.5 -19.9 26.1 128 128 A L S S- 0 0 33 -3,-0.3 -36,-0.2 -4,-0.1 -1,-0.2 -0.446 75.0-178.8-123.0 60.1 42.3 -20.3 24.0 129 129 A P - 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