==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-DEC-11 3V5C . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS SP.; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,F.GRONINGER-POE,J.A.GERLT,S.C.ALMO . 1523 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1118 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 194 12.7 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 . 4 0.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 136 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 417 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 2.3 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 4 5 4 1 0 3 7 2 0 5 3 0 4 3 0 5 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 12 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 PARALLEL BRIDGES PER LADDER . 12 4 10 6 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 8 0 4 0 0 0 4 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 2 A S 0 0 62 0, 0.0 2,-0.4 0, 0.0 115,-0.3 0.000 360.0 360.0 360.0-145.0 -14.2 -48.8 -68.9 2 3 A L - 0 0 16 82,-0.4 2,-0.7 113,-0.1 112,-0.1 -0.614 360.0-148.9 -81.0 128.8 -12.0 -50.6 -66.4 3 4 A N + 0 0 101 110,-0.7 3,-0.2 -2,-0.4 81,-0.1 -0.883 24.9 166.2 -95.6 116.9 -10.1 -53.7 -67.4 4 5 A I > + 0 0 31 -2,-0.7 3,-1.1 1,-0.1 -1,-0.1 0.019 36.4 114.1-121.4 24.9 -9.8 -55.9 -64.3 5 6 A T T 3 S+ 0 0 124 1,-0.2 -1,-0.1 79,-0.0 -2,-0.0 0.781 75.9 54.7 -69.3 -28.9 -8.7 -59.2 -65.8 6 7 A G T 3 S+ 0 0 44 -3,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.266 78.0 111.2 -92.3 8.9 -5.3 -59.2 -64.1 7 8 A I < - 0 0 8 -3,-1.1 2,-0.2 2,-0.0 -3,-0.0 -0.785 65.9-138.7 -81.9 119.2 -6.7 -58.7 -60.6 8 9 A Q > - 0 0 102 -2,-0.7 3,-1.3 1,-0.1 69,-0.3 -0.492 11.1-126.8 -76.8 148.5 -6.0 -61.9 -58.7 9 10 A S T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -2,-0.2 69,-0.1 0.637 105.1 64.6 -74.0 -11.9 -8.7 -63.3 -56.5 10 11 A D T 3 S+ 0 0 101 65,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.583 74.2 107.0 -84.7 -9.8 -6.4 -63.5 -53.5 11 12 A W < + 0 0 31 -3,-1.3 65,-2.6 40,-0.1 66,-0.4 -0.601 52.5 178.7 -76.1 114.7 -5.9 -59.7 -53.4 12 13 A K B -A 75 0A 83 -2,-0.6 40,-1.3 63,-0.3 2,-0.5 -0.817 38.8-100.7-119.7 155.4 -7.8 -58.4 -50.3 13 14 A V E +B 51 0B 2 61,-2.8 60,-3.2 58,-0.3 38,-0.2 -0.630 42.7 171.8 -69.5 117.7 -8.5 -55.1 -48.6 14 15 A E E + 0 0 68 36,-3.1 372,-2.3 -2,-0.5 2,-0.3 0.765 58.8 5.6-101.6 -32.2 -6.0 -55.2 -45.7 15 16 A K E -BC 50 385B 60 35,-1.5 35,-2.7 370,-0.3 2,-0.4 -0.996 49.9-165.3-155.7 145.6 -6.3 -51.7 -44.3 16 17 A I E -BC 49 384B 0 368,-2.6 368,-2.9 -2,-0.3 2,-0.3 -0.990 15.8-178.7-133.0 126.5 -8.3 -48.5 -44.7 17 18 A E E -BC 48 383B 10 31,-2.4 31,-2.5 -2,-0.4 2,-0.4 -0.940 7.1-159.4-127.6 150.7 -7.1 -45.2 -43.2 18 19 A F E +BC 47 382B 30 364,-2.7 364,-1.6 -2,-0.3 2,-0.3 -0.985 16.0 158.4-135.6 140.2 -8.7 -41.8 -43.3 19 20 A A E -B 46 0B 1 27,-2.6 27,-3.2 -2,-0.4 2,-0.6 -0.991 34.6-124.2-155.6 156.3 -7.4 -38.2 -42.7 20 21 A K E -B 45 0B 99 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.927 26.4-157.6-106.2 120.7 -8.3 -34.7 -43.6 21 22 A L E -B 44 0B 0 23,-3.0 23,-2.3 -2,-0.6 2,-0.3 -0.704 8.3-155.7 -94.5 150.7 -5.6 -32.7 -45.4 22 23 A T E +B 43 0B 74 -2,-0.3 320,-2.4 320,-0.3 2,-0.2 -0.931 25.2 132.7-129.8 150.4 -5.5 -28.9 -45.3 23 24 A G E -BD 42 341B 10 19,-2.8 19,-2.4 -2,-0.3 2,-0.3 -0.839 39.0-101.2-164.2-151.5 -4.1 -26.2 -47.5 24 25 A E E -BD 41 340B 111 316,-2.0 316,-2.7 17,-0.3 17,-0.2 -0.995 20.4-117.8-150.6 149.1 -4.9 -22.9 -49.2 25 26 A R E - D 0 339B 10 15,-2.4 314,-0.2 -2,-0.3 3,-0.1 -0.532 34.3-114.6 -84.7 160.5 -5.9 -21.4 -52.5 26 27 A A E S+ 0 0 52 312,-2.5 2,-0.4 -2,-0.2 313,-0.1 0.816 100.6 24.0 -67.2 -33.1 -3.6 -18.9 -54.2 27 28 A R E S- 0 0 44 311,-0.3 -1,-0.2 12,-0.1 311,-0.1 -1.000 92.8-105.3-135.3 134.9 -6.1 -16.1 -53.9 28 29 A S E - 0 0 56 -2,-0.4 2,-0.5 -3,-0.1 12,-0.2 -0.336 35.4-132.3 -57.9 134.8 -8.9 -15.7 -51.4 29 30 A A E -B 39 0B 2 10,-2.5 10,-2.8 1,-0.1 9,-1.5 -0.797 20.0-152.2 -97.2 127.6 -12.3 -16.3 -53.1 30 31 A G - 0 0 8 -2,-0.5 8,-0.9 7,-0.2 107,-0.2 0.225 36.5 -53.2 -77.2-159.1 -15.1 -13.8 -52.4 31 32 A A B -F 136 0C 5 105,-0.6 105,-2.8 6,-0.2 5,-0.2 -0.203 47.1-151.0 -70.5 165.5 -18.9 -14.2 -52.4 32 33 A N - 0 0 7 3,-2.3 144,-0.1 103,-0.2 139,-0.1 -0.692 43.9 -73.0-123.7-172.2 -21.0 -15.7 -55.2 33 34 A G S S+ 0 0 2 137,-0.4 143,-0.2 -2,-0.2 142,-0.1 0.781 127.6 22.0 -50.6 -34.2 -24.5 -15.2 -56.3 34 35 A R S S+ 0 0 73 141,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.709 121.3 32.4-112.5 -27.8 -26.1 -17.0 -53.3 35 36 A I S S- 0 0 46 1,-0.2 -3,-2.3 584,-0.0 3,-0.1 -0.816 75.1 -98.6-133.1 173.6 -23.6 -17.1 -50.4 36 37 A G - 0 0 36 -2,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.181 66.6 -28.8 -82.4-164.5 -20.8 -15.1 -48.8 37 38 A V - 0 0 110 -6,-0.1 -7,-0.2 1,-0.1 -6,-0.2 -0.154 43.0-163.3 -53.7 132.7 -17.0 -15.1 -48.9 38 39 A H - 0 0 60 -9,-1.5 -8,-0.2 -8,-0.9 3,-0.1 0.781 31.0-163.3 -89.5 -30.4 -15.5 -18.5 -49.5 39 40 A G E -B 29 0B 16 -10,-2.8 -10,-2.5 1,-0.2 -1,-0.2 -0.382 29.4 -71.6 86.9-158.7 -12.0 -17.6 -48.3 40 41 A K E S+ 0 0 72 -12,-0.2 -15,-2.4 -2,-0.1 -1,-0.2 0.635 89.3 102.3-114.9 -25.1 -8.6 -19.1 -48.7 41 42 A S E -B 24 0B 90 -17,-0.2 2,-0.3 -3,-0.1 -17,-0.3 -0.435 46.9-177.4 -75.3 137.5 -8.7 -22.2 -46.6 42 43 A C E -B 23 0B 8 -19,-2.4 -19,-2.8 298,-0.2 2,-0.3 -0.965 6.8-170.3-131.5 147.6 -9.1 -25.6 -48.4 43 44 A T E -B 22 0B 54 270,-0.4 2,-0.3 -2,-0.3 272,-0.3 -0.950 8.0-163.0-133.2 159.6 -9.4 -29.2 -47.2 44 45 A V E -B 21 0B 1 -23,-2.3 -23,-3.0 -2,-0.3 2,-0.5 -0.949 16.0-142.2-139.0 119.3 -9.5 -32.6 -48.8 45 46 A D E -B 20 0B 42 -2,-0.3 15,-1.5 -25,-0.2 2,-0.4 -0.694 31.4-174.0 -78.4 127.8 -10.7 -35.7 -47.1 46 47 A I E -BE 19 59B 1 -27,-3.2 -27,-2.6 -2,-0.5 2,-0.4 -0.935 18.4-159.9-127.6 143.4 -8.4 -38.6 -48.1 47 48 A A E -BE 18 58B 0 11,-2.8 11,-2.0 -2,-0.4 2,-0.5 -0.961 6.8-154.1-117.2 148.6 -8.3 -42.3 -47.6 48 49 A R E -BE 17 57B 17 -31,-2.5 -31,-2.4 -2,-0.4 2,-0.4 -0.984 15.9-166.2-115.5 120.0 -5.3 -44.6 -47.9 49 50 A I E -BE 16 56B 0 7,-2.8 7,-2.2 -2,-0.5 2,-0.5 -0.875 7.3-154.9-108.3 143.3 -6.2 -48.2 -48.8 50 51 A T E +BE 15 55B 21 -35,-2.7 -36,-3.1 -2,-0.4 -35,-1.5 -0.979 17.5 171.0-119.0 123.6 -3.8 -51.1 -48.6 51 52 A I E > S-BE 13 54B 0 3,-2.4 3,-1.9 -2,-0.5 -38,-0.2 -1.000 71.4 -11.9-130.9 129.3 -4.4 -54.2 -50.8 52 53 A D T 3 S- 0 0 57 -40,-1.3 -1,-0.1 -2,-0.4 -39,-0.1 0.890 129.2 -53.4 45.9 47.5 -2.0 -57.0 -51.1 53 54 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.572 117.5 102.2 71.3 11.9 0.8 -55.0 -49.4 54 55 A Q E < -E 51 0B 61 -3,-1.9 -3,-2.4 2,-0.0 2,-0.2 -0.980 61.0-134.5-129.8 141.6 0.5 -51.9 -51.6 55 56 A T E -E 50 0B 53 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.630 14.8-173.2 -96.9 149.7 -1.1 -48.5 -50.9 56 57 A G E -E 49 0B 0 -7,-2.2 -7,-2.8 -2,-0.2 2,-0.3 -0.985 11.6-154.5-133.7 149.3 -3.4 -46.3 -53.0 57 58 A Y E +E 48 0B 11 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.913 25.6 128.5-121.6 146.6 -4.6 -42.8 -52.0 58 59 A G E -E 47 0B 0 -11,-2.0 -11,-2.8 -2,-0.3 38,-0.0 -0.979 55.1 -55.6-177.4 172.4 -7.6 -40.8 -52.9 59 60 A S E -E 46 0B 1 -2,-0.3 37,-0.5 -13,-0.2 2,-0.3 -0.245 49.5-175.4 -49.1 141.3 -10.6 -38.6 -52.1 60 61 A S + 0 0 0 -15,-1.5 2,-0.3 36,-0.1 33,-0.2 -0.941 6.8 172.5-146.5 127.3 -13.1 -40.4 -49.8 61 62 A I + 0 0 29 31,-2.0 3,-0.1 -2,-0.3 33,-0.0 -0.927 61.1 22.8-129.4 159.1 -16.5 -39.1 -48.6 62 63 A H S S+ 0 0 123 -2,-0.3 2,-0.5 1,-0.2 31,-0.2 0.813 85.2 133.6 61.6 32.2 -19.3 -40.7 -46.6 63 64 A M - 0 0 14 -3,-0.1 -1,-0.2 29,-0.1 -3,-0.0 -0.969 32.2-175.3-117.5 126.1 -17.0 -43.3 -44.9 64 65 A T > - 0 0 70 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.718 40.4-111.0-105.1 163.3 -17.0 -44.0 -41.2 65 66 A P H > S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.886 120.7 55.1 -57.6 -35.2 -14.6 -46.4 -39.4 66 67 A E H > S+ 0 0 140 2,-0.2 4,-1.0 1,-0.2 -3,-0.0 0.864 107.6 48.0 -69.7 -34.9 -17.6 -48.7 -38.9 67 68 A W H >4 S+ 0 0 65 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.943 114.1 47.0 -63.6 -49.1 -18.3 -48.8 -42.6 68 69 A A H >X S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 4,-1.5 0.865 101.5 64.4 -64.9 -37.5 -14.7 -49.5 -43.4 69 70 A E H 3< S+ 0 0 107 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.885 100.4 53.9 -53.0 -38.1 -14.4 -52.2 -40.7 70 71 A D T << S+ 0 0 93 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.591 106.5 51.8 -74.6 -12.2 -16.9 -54.2 -42.8 71 72 A V T X4 S+ 0 0 4 -3,-2.0 3,-2.1 -4,-0.4 -58,-0.3 0.708 81.1 105.2 -96.6 -23.9 -14.8 -53.9 -45.9 72 73 A I T 3< S+ 0 0 50 -4,-1.5 -58,-0.2 -3,-0.3 3,-0.1 -0.349 86.3 23.5 -56.4 133.6 -11.5 -55.2 -44.4 73 74 A G T 3 S+ 0 0 43 -60,-3.2 -1,-0.3 1,-0.3 2,-0.1 0.178 91.3 128.8 93.7 -17.2 -10.9 -58.7 -45.6 74 75 A R < - 0 0 97 -3,-2.1 -61,-2.8 -61,-0.1 -1,-0.3 -0.422 65.3-110.0 -69.5 145.0 -13.0 -58.4 -48.8 75 76 A R B > -A 12 0A 104 -63,-0.2 3,-1.1 1,-0.1 4,-0.4 -0.602 18.5-131.4 -74.1 134.5 -11.5 -59.4 -52.1 76 77 A L G > S+ 0 0 0 -65,-2.6 3,-1.8 -2,-0.3 4,-0.3 0.882 107.2 59.9 -52.3 -42.1 -10.8 -56.5 -54.4 77 78 A L G > S+ 0 0 51 -66,-0.4 3,-1.6 -69,-0.3 -1,-0.3 0.840 96.8 61.1 -55.8 -33.0 -12.6 -58.4 -57.3 78 79 A D G < S+ 0 0 86 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.611 88.5 70.7 -75.0 -11.2 -15.7 -58.5 -55.2 79 80 A L G < S+ 0 0 0 -3,-1.8 8,-3.1 -4,-0.4 2,-0.3 0.565 94.6 68.5 -76.2 -9.4 -15.9 -54.7 -55.2 80 81 A F B < S-G 86 0D 9 -3,-1.6 6,-0.2 6,-0.3 2,-0.1 -0.823 78.2-134.9-110.3 148.7 -16.8 -54.9 -58.9 81 82 A D > - 0 0 36 4,-2.6 3,-1.9 -2,-0.3 4,-0.1 -0.239 46.1 -75.7 -89.5-171.3 -20.0 -56.2 -60.5 82 83 A D T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.617 128.5 55.4 -60.6 -13.3 -20.3 -58.5 -63.5 83 84 A R T 3 S- 0 0 184 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.467 117.0-103.5-104.1 -2.9 -19.5 -55.6 -65.8 84 85 A G S < S+ 0 0 9 -3,-1.9 2,-0.4 1,-0.3 -82,-0.4 0.650 79.9 133.1 87.4 15.5 -16.2 -54.4 -64.4 85 86 A R - 0 0 56 -4,-0.1 -4,-2.6 -84,-0.1 -1,-0.3 -0.856 65.4-109.6-101.9 134.9 -17.9 -51.5 -62.8 86 87 A L B -G 80 0D 7 -2,-0.4 -6,-0.3 -6,-0.2 5,-0.1 -0.409 46.2-104.0 -60.3 128.0 -17.2 -50.6 -59.2 87 88 A R >> - 0 0 107 -8,-3.1 3,-2.5 -2,-0.1 4,-0.6 -0.286 22.7-120.0 -61.2 138.7 -20.3 -51.4 -57.1 88 89 A E G >4 S+ 0 0 139 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.807 109.0 64.8 -41.6 -43.8 -22.4 -48.4 -56.1 89 90 A A G 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.675 109.2 37.7 -61.8 -18.0 -22.0 -49.2 -52.4 90 91 A Y G <>>S+ 0 0 23 -3,-2.5 4,-2.6 -11,-0.2 5,-0.5 0.454 90.8 93.3-111.2 -5.7 -18.2 -48.5 -52.6 91 92 A R H S+ 0 0 2 -37,-0.5 4,-2.7 -5,-0.4 5,-0.3 0.976 114.3 43.2 -72.0 -53.1 -10.4 -43.0 -55.8 97 98 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.885 117.2 50.4 -55.9 -36.1 -8.1 -44.9 -53.5 98 99 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.932 111.0 46.5 -69.1 -42.9 -9.0 -48.1 -55.4 99 100 A L H X S+ 0 0 6 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.906 113.9 48.8 -64.2 -40.1 -8.3 -46.6 -58.8 100 101 A D H X S+ 0 0 5 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.926 110.6 52.2 -62.8 -42.1 -5.1 -45.1 -57.5 101 102 A W H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.932 108.2 49.5 -59.2 -49.5 -4.2 -48.6 -56.1 102 103 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.898 111.2 50.9 -58.6 -41.4 -4.9 -50.3 -59.5 103 104 A G H X>S+ 0 0 0 -4,-2.1 5,-1.8 -5,-0.2 4,-1.3 0.922 111.6 46.8 -60.8 -44.5 -2.7 -47.7 -61.2 104 105 A Q H <5S+ 0 0 59 -4,-2.7 -2,-0.2 258,-0.2 -1,-0.2 0.933 114.9 46.4 -62.4 -45.7 0.2 -48.3 -58.7 105 106 A R H <5S+ 0 0 61 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 121.3 36.0 -65.8 -44.3 -0.1 -52.1 -59.0 106 107 A Q H <5S- 0 0 75 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.553 105.4-125.0 -87.1 -10.2 -0.2 -52.1 -62.8 107 108 A G T <5 + 0 0 50 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.911 69.6 122.0 65.8 43.5 2.2 -49.2 -63.2 108 109 A K < - 0 0 97 -5,-1.8 255,-2.7 -6,-0.2 -1,-0.2 -0.977 66.9-112.8-135.5 145.1 -0.3 -47.2 -65.3 109 110 A P B >> -h 363 0E 5 0, 0.0 4,-1.2 0, 0.0 3,-0.9 -0.491 35.6-115.0 -70.0 150.7 -2.0 -43.8 -65.0 110 111 A V H 3> S+ 0 0 0 253,-2.5 4,-1.7 1,-0.2 3,-0.4 0.880 113.4 66.0 -55.8 -38.0 -5.7 -44.1 -64.4 111 112 A Y H 3> S+ 0 0 13 252,-0.3 4,-1.2 1,-0.3 -1,-0.2 0.884 102.9 47.8 -55.6 -35.6 -6.5 -42.4 -67.7 112 113 A D H <4 S+ 0 0 48 -3,-0.9 4,-0.4 1,-0.2 -1,-0.3 0.811 109.7 53.5 -70.8 -31.9 -5.0 -45.5 -69.4 113 114 A L H < S+ 0 0 12 -4,-1.2 -110,-0.7 -3,-0.4 -1,-0.2 0.756 120.0 30.8 -70.7 -25.1 -7.0 -47.8 -67.2 114 115 A V H < S+ 0 0 2 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.492 92.2 87.0-116.9 -4.8 -10.3 -46.2 -68.1 115 116 A S S < S- 0 0 36 -4,-1.2 -3,-0.1 -5,-0.3 -2,-0.1 0.880 76.3-145.0 -65.0 -34.9 -10.1 -44.9 -71.6 116 117 A G + 0 0 52 -4,-0.4 -1,-0.1 -115,-0.3 -4,-0.1 0.711 39.9 168.9 71.0 21.3 -11.2 -48.2 -73.1 117 118 A A - 0 0 64 -5,-0.2 -1,-0.2 1,-0.1 4,-0.1 -0.296 30.2-172.8 -66.2 150.4 -8.7 -47.3 -75.9 118 119 A H + 0 0 171 -3,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.642 61.8 84.9-112.2 -30.2 -7.8 -49.9 -78.4 119 120 A L S S- 0 0 132 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.353 99.0 -78.9 -70.8 154.9 -5.0 -48.0 -80.3 120 121 A E - 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0 0 14 -3,-0.2 -1,-0.2 29,-0.1 -3,-0.0 -0.959 32.1-177.1-120.7 118.5 -53.0 -47.5 -62.5 450 65 B T > - 0 0 72 -2,-0.5 4,-2.0 -3,-0.1 5,-0.2 -0.607 42.4-107.1 -99.8 164.3 -53.1 -49.6 -65.7 451 66 B P H > S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.913 121.9 54.0 -56.5 -40.5 -55.6 -52.4 -66.5 452 67 B E H > S+ 0 0 124 1,-0.2 4,-1.2 2,-0.2 -3,-0.0 0.913 105.8 52.1 -61.0 -44.5 -52.7 -54.9 -66.0 453 68 B W H >4 S+ 0 0 64 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.946 110.4 48.4 -53.9 -50.0 -51.9 -53.5 -62.6 454 69 B A H >X S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-1.4 0.857 101.5 63.7 -63.9 -36.6 -55.5 -53.8 -61.5 455 70 B E H 3< S+ 0 0 106 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.876 101.3 52.3 -52.6 -39.5 -55.7 -57.4 -62.8 456 71 B D T << S+ 0 0 107 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.576 107.9 52.1 -76.5 -11.1 -53.1 -58.4 -60.2 457 72 B V T X4 S+ 0 0 4 -3,-1.6 3,-2.0 -4,-0.4 -58,-0.3 0.693 80.0 106.2 -98.6 -22.2 -55.1 -56.8 -57.4 458 73 B I T 3< S+ 0 0 48 -4,-1.4 -58,-0.2 -3,-0.3 3,-0.1 -0.340 84.9 23.1 -59.4 134.1 -58.5 -58.5 -58.0 459 74 B G T 3 S+ 0 0 43 -60,-3.1 -1,-0.2 1,-0.4 2,-0.1 0.277 89.4 129.1 94.1 -12.3 -59.1 -61.2 -55.3 460 75 B R < - 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