==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-JUL-11 3ZVH . COMPND 2 MOLECULE: METHYLASPARTATE AMMONIA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM TETANOMORPHUM; . AUTHOR H.RAJ,W.SZYMANSKI,J.DE VILLIERS,H.J.ROZEBOOM,V.P.VEETIL,C.R. . 830 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 64 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.1 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 3 2 2 0 2 4 2 2 2 1 1 2 0 3 1 2 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 0 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 PARALLEL BRIDGES PER LADDER . 3 4 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 2 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 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 M 0 0 59 0, 0.0 105,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.9 -36.7 33.1 -23.9 2 2 A K B -A 105 0A 95 103,-0.3 58,-1.6 105,-0.0 2,-0.5 -0.829 360.0-106.7-117.5 162.9 -38.3 31.1 -26.8 3 3 A I E -B 59 0B 1 101,-2.0 100,-3.0 98,-0.4 56,-0.3 -0.803 32.5-176.9 -80.8 129.3 -37.6 27.9 -28.6 4 4 A V E + 0 0 57 54,-3.2 2,-0.3 -2,-0.5 55,-0.2 0.770 61.5 14.3-100.9 -31.1 -36.1 28.7 -32.0 5 5 A D E -B 58 0B 44 53,-1.6 53,-2.7 96,-0.1 2,-0.4 -0.985 55.4-152.5-144.3 156.6 -35.8 25.3 -33.6 6 6 A V E -B 57 0B 15 -2,-0.3 2,-0.4 51,-0.2 51,-0.2 -0.995 14.0-173.3-126.1 127.9 -36.9 21.7 -33.1 7 7 A L E -B 56 0B 32 49,-2.4 49,-2.7 -2,-0.4 2,-0.4 -0.982 4.3-164.5-123.2 136.2 -34.9 18.7 -34.3 8 8 A C E -B 55 0B 17 -2,-0.4 47,-0.2 47,-0.2 -2,-0.0 -0.981 7.8-178.4-117.2 132.8 -36.0 15.1 -34.2 9 9 A T E -B 54 0B 9 45,-2.3 45,-1.6 -2,-0.4 2,-0.2 -0.972 27.9-120.7-123.8 143.4 -33.7 12.1 -34.6 10 10 A P E +B 53 0B 67 0, 0.0 2,-0.3 0, 0.0 43,-0.2 -0.533 44.9 170.5 -71.1 151.6 -34.5 8.4 -34.7 11 11 A G E -B 52 0B 10 41,-2.0 41,-2.0 -2,-0.2 75,-0.2 -0.929 31.0-106.7-151.3 175.9 -32.7 6.4 -32.0 12 12 A L - 0 0 11 -2,-0.3 2,-0.3 39,-0.2 39,-0.2 -0.334 25.7-150.5 -96.5-174.4 -32.2 3.2 -30.0 13 13 A T - 0 0 0 37,-0.3 351,-0.2 2,-0.3 799,-0.2 -0.856 37.8 -90.0-146.9 173.4 -33.2 2.4 -26.4 14 14 A G S S+ 0 0 0 349,-2.7 375,-0.6 -2,-0.3 795,-0.3 0.549 103.5 5.4 -70.7 -6.1 -31.9 0.1 -23.7 15 15 A F S S- 0 0 6 348,-0.3 35,-1.7 373,-0.2 -2,-0.3 -0.368 81.1 -71.6-146.6-138.8 -34.1 -2.8 -25.0 16 16 A Y E -D 49 0C 0 33,-0.2 2,-0.7 -2,-0.1 33,-0.2 -0.923 27.6-115.9-135.0 153.6 -36.5 -4.3 -27.6 17 17 A F E -D 48 0C 0 31,-2.7 31,-2.4 -2,-0.3 2,-0.4 -0.901 39.4-168.8 -83.7 116.1 -40.0 -4.1 -29.0 18 18 A D E -D 47 0C 4 55,-2.3 2,-1.5 -2,-0.7 29,-0.2 -0.932 27.1-127.0-108.9 130.4 -41.5 -7.6 -28.2 19 19 A D > - 0 0 0 27,-3.2 4,-2.0 -2,-0.4 3,-0.2 -0.604 28.2-172.9 -71.3 91.2 -44.7 -8.7 -29.7 20 20 A Q H > S+ 0 0 57 -2,-1.5 4,-2.4 1,-0.2 5,-0.2 0.852 80.8 57.0 -58.4 -37.9 -46.3 -9.7 -26.4 21 21 A R H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 109.6 44.5 -59.9 -47.5 -49.3 -11.3 -28.1 22 22 A A H >>S+ 0 0 2 2,-0.2 5,-2.2 1,-0.2 4,-0.8 0.829 109.8 55.7 -63.9 -37.4 -47.1 -13.6 -30.1 23 23 A I H <5S+ 0 0 40 -4,-2.0 3,-0.5 2,-0.2 -1,-0.2 0.896 111.4 44.0 -62.7 -41.2 -45.0 -14.4 -27.0 24 24 A K H <5S+ 0 0 160 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.828 108.1 59.6 -71.4 -33.8 -48.3 -15.5 -25.3 25 25 A K H <5S- 0 0 166 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.628 130.3 -93.6 -62.9 -20.7 -49.2 -17.3 -28.5 26 26 A G T <5 + 0 0 58 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.1 0.609 53.1 178.8 116.5 16.1 -46.0 -19.4 -28.1 27 27 A A < - 0 0 23 -5,-2.2 2,-0.2 1,-0.1 -1,-0.2 -0.205 31.5-124.2 -45.6 128.1 -43.1 -17.9 -30.0 28 28 A G - 0 0 30 7,-0.5 7,-2.7 1,-0.1 2,-0.3 -0.558 17.2-113.4 -82.5 142.3 -40.1 -20.1 -29.4 29 29 A H E +E 34 0D 142 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.550 34.3 174.0 -66.6 132.8 -36.8 -18.8 -28.0 30 30 A D E > -E 33 0D 50 3,-2.0 3,-2.0 -2,-0.3 2,-0.1 -0.828 64.9 -55.9-139.5 106.0 -33.8 -18.9 -30.4 31 31 A G T 3 S- 0 0 36 -2,-0.3 -1,-0.2 1,-0.3 564,-0.1 -0.430 117.9 -25.2 56.9-132.6 -30.8 -17.2 -29.0 32 32 A F T 3 S+ 0 0 33 562,-0.2 -1,-0.3 563,-0.2 2,-0.2 0.162 129.6 78.3 -95.6 21.8 -31.8 -13.7 -28.1 33 33 A T E < S-E 30 0D 12 -3,-2.0 -3,-2.0 13,-0.0 2,-0.4 -0.592 74.1-123.5-119.7 173.7 -34.6 -13.7 -30.7 34 34 A Y E -E 29 0D 28 -5,-0.2 12,-0.5 -2,-0.2 13,-0.4 -0.996 24.2-137.5-124.5 138.0 -38.1 -15.1 -31.0 35 35 A T + 0 0 58 -7,-2.7 -7,-0.5 -2,-0.4 2,-0.1 -0.564 51.8 24.6 -91.5 149.8 -39.2 -17.5 -33.8 36 36 A G S S- 0 0 62 -2,-0.2 10,-0.4 -9,-0.1 -2,-0.1 -0.255 90.2 -14.1 101.7-178.8 -42.4 -17.5 -35.9 37 37 A S - 0 0 110 1,-0.1 2,-0.1 8,-0.1 -10,-0.1 -0.252 58.8-124.1 -64.2 136.5 -45.3 -15.3 -37.1 38 38 A T - 0 0 49 6,-0.2 -1,-0.1 1,-0.1 8,-0.1 -0.465 19.2-169.8 -70.8 152.0 -45.9 -11.9 -35.5 39 39 A V + 0 0 75 -2,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.628 60.5 80.0-114.2 -28.3 -49.4 -11.3 -34.1 40 40 A T S > S- 0 0 9 1,-0.1 3,-1.6 6,-0.0 37,-0.1 -0.696 86.2-105.3 -91.2 133.2 -49.3 -7.6 -33.4 41 41 A E T 3 S+ 0 0 180 -2,-0.4 42,-0.5 1,-0.2 3,-0.1 -0.174 102.7 19.6 -51.5 136.9 -49.8 -4.9 -36.1 42 42 A G T 3 S+ 0 0 45 1,-0.3 -1,-0.2 40,-0.1 2,-0.2 0.046 94.1 118.6 87.8 -24.9 -46.7 -3.1 -37.3 43 43 A F < - 0 0 10 -3,-1.6 -1,-0.3 1,-0.1 3,-0.1 -0.482 36.9-179.5 -71.0 141.3 -44.3 -5.8 -35.9 44 44 A T S S+ 0 0 95 1,-0.5 2,-0.3 -2,-0.2 -6,-0.2 0.664 76.5 20.8-114.7 -26.7 -42.1 -7.5 -38.6 45 45 A Q S S- 0 0 63 -8,-0.1 -1,-0.5 1,-0.1 -26,-0.1 -0.935 85.3-114.2-127.1 159.9 -40.2 -9.9 -36.2 46 46 A V S S+ 0 0 0 -12,-0.5 -27,-3.2 -10,-0.4 2,-0.4 0.883 111.6 34.9 -64.1 -36.0 -41.5 -10.9 -32.8 47 47 A R E S+D 18 0C 21 -13,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.986 78.0 164.1-114.8 130.9 -38.5 -9.1 -31.3 48 48 A Q E -D 17 0C 14 -31,-2.4 -31,-2.7 -2,-0.4 555,-0.1 -0.900 46.7 -71.6-135.0 162.9 -37.3 -5.9 -33.0 49 49 A K E -D 16 0C 60 553,-0.4 -33,-0.2 -2,-0.3 2,-0.1 -0.290 50.2-113.8 -58.5 130.8 -35.0 -3.0 -31.9 50 50 A G - 0 0 0 -35,-1.7 2,-0.4 -37,-0.2 -37,-0.3 -0.431 37.7-147.5 -55.3 139.6 -36.4 -0.7 -29.4 51 51 A E + 0 0 27 33,-0.2 20,-0.5 -39,-0.2 2,-0.3 -0.936 19.2 179.2-122.7 143.0 -36.9 2.7 -31.0 52 52 A S E -BC 11 70B 0 -41,-2.0 -41,-2.0 -2,-0.4 2,-0.4 -0.813 20.9-142.1-124.8 166.2 -36.7 6.2 -29.6 53 53 A I E -BC 10 69B 0 16,-1.5 16,-3.0 -2,-0.3 2,-0.4 -0.903 16.4-148.5-129.1 105.8 -37.1 9.8 -30.9 54 54 A S E -BC 9 68B 0 -45,-1.6 -45,-2.3 -2,-0.4 2,-0.5 -0.651 13.9-156.8 -65.2 123.5 -34.6 12.3 -29.5 55 55 A V E -BC 8 67B 0 12,-4.0 12,-3.0 -2,-0.4 2,-0.5 -0.959 8.6-169.3-106.9 118.5 -36.3 15.7 -29.4 56 56 A L E -BC 7 66B 4 -49,-2.7 -49,-2.4 -2,-0.5 2,-0.6 -0.930 8.7-163.8-108.9 122.5 -34.1 18.8 -29.3 57 57 A L E -BC 6 65B 0 8,-2.2 8,-2.8 -2,-0.5 2,-0.6 -0.937 10.8-153.2-100.1 114.4 -35.3 22.3 -28.7 58 58 A V E -BC 5 64B 8 -53,-2.7 -54,-3.2 -2,-0.6 -53,-1.6 -0.772 16.3-154.3 -80.6 122.6 -32.8 24.9 -29.7 59 59 A L E > -B 3 0B 1 4,-2.6 3,-1.8 -2,-0.6 -56,-0.2 -0.543 28.0-104.2 -94.0 167.0 -33.4 28.0 -27.5 60 60 A E T 3 S+ 0 0 109 -58,-1.6 -57,-0.1 1,-0.3 -1,-0.1 0.731 120.0 58.7 -67.7 -20.7 -32.4 31.5 -28.6 61 61 A D T 3 S- 0 0 40 -59,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.523 121.2-107.4 -82.1 -3.7 -29.4 31.6 -26.4 62 62 A G S < S+ 0 0 23 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.414 75.1 134.6 91.5 -1.6 -28.0 28.6 -28.2 63 63 A Q - 0 0 10 78,-0.0 -4,-2.6 -5,-0.0 2,-0.5 -0.426 48.8-136.3 -68.1 152.3 -28.6 26.0 -25.5 64 64 A V E -C 58 0B 43 -6,-0.2 -6,-0.2 -2,-0.1 2,-0.2 -0.918 8.0-153.4-121.8 107.7 -30.2 22.6 -26.6 65 65 A A E -C 57 0B 0 -8,-2.8 -8,-2.2 -2,-0.5 2,-0.4 -0.565 16.5-159.3 -73.3 140.2 -32.9 21.0 -24.6 66 66 A H E +C 56 0B 21 -10,-0.2 2,-0.3 -2,-0.2 -10,-0.2 -0.981 18.5 165.2-131.8 117.8 -33.0 17.2 -25.1 67 67 A G E -C 55 0B 0 -12,-3.0 -12,-4.0 -2,-0.4 2,-0.5 -0.965 24.5-139.0-127.1 152.6 -35.9 14.9 -24.4 68 68 A D E -C 54 0B 0 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.3 -0.946 5.2-144.9-119.6 117.4 -36.4 11.3 -25.6 69 69 A C E +C 53 0B 0 -16,-3.0 -16,-1.5 -2,-0.5 2,-0.3 -0.626 37.0 158.9 -68.1 129.2 -39.6 9.8 -26.8 70 70 A A E -C 52 0B 0 59,-0.5 2,-0.3 -2,-0.4 293,-0.2 -0.991 24.3-159.0-156.4 149.3 -39.8 6.1 -25.7 71 71 A A - 0 0 6 -20,-0.5 4,-0.1 291,-0.4 -20,-0.1 -0.792 35.7 -82.6-124.1 169.7 -42.3 3.4 -25.1 72 72 A V > - 0 0 18 -2,-0.3 3,-0.7 2,-0.1 -1,-0.1 -0.183 43.9-107.5 -63.1 163.3 -42.5 0.2 -23.1 73 73 A A T 3 S+ 0 0 11 1,-0.3 -55,-2.3 -56,-0.1 2,-0.8 0.852 119.3 60.9 -63.3 -34.9 -41.0 -3.0 -24.6 74 74 A Y T > S+ 0 0 81 -57,-0.2 3,-1.9 -55,-0.1 -1,-0.3 -0.230 80.1 170.0 -86.0 45.8 -44.5 -4.4 -25.2 75 75 A S T < + 0 0 3 -2,-0.8 8,-0.2 -3,-0.7 -55,-0.2 -0.355 65.2 19.8 -54.0 131.7 -45.2 -1.5 -27.5 76 76 A G T 3 S+ 0 0 9 5,-1.1 -1,-0.3 6,-0.3 -35,-0.2 0.466 95.4 131.4 86.9 1.8 -48.5 -2.0 -29.4 77 77 A A S X S- 0 0 4 -3,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.022 70.1 -44.9 -76.8-172.4 -49.8 -4.6 -26.9 78 78 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.360 129.5 8.1 -62.5 127.6 -53.3 -4.6 -25.3 79 79 A G T 3 S+ 0 0 90 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.673 110.1 116.5 78.2 18.0 -54.4 -1.2 -24.0 80 80 A R S < S- 0 0 92 -3,-1.5 -1,-0.3 -4,-0.1 3,-0.1 -0.792 71.2-103.9-120.0 159.0 -51.4 0.4 -25.7 81 81 A D - 0 0 56 -2,-0.3 -5,-1.1 1,-0.2 3,-0.2 -0.395 60.8 -72.9 -72.7 156.6 -50.7 2.9 -28.4 82 82 A P S S- 0 0 88 0, 0.0 -6,-0.3 0, 0.0 -1,-0.2 -0.026 72.6 -65.0 -51.6 154.7 -49.5 1.5 -31.8 83 83 A L - 0 0 5 -42,-0.5 2,-2.3 -8,-0.2 5,-0.1 -0.196 54.1-125.0 -47.7 120.3 -45.9 0.2 -32.1 84 84 A F + 0 0 0 -3,-0.2 2,-0.4 -33,-0.1 -33,-0.2 -0.408 41.8 168.9 -76.0 72.5 -43.7 3.2 -31.5 85 85 A L >> - 0 0 12 -2,-2.3 3,-1.4 1,-0.2 4,-0.9 -0.733 34.6-138.6 -83.8 129.1 -41.6 3.1 -34.7 86 86 A A H >> S+ 0 0 1 -2,-0.4 4,-2.7 1,-0.3 3,-2.3 0.950 103.2 54.6 -49.9 -58.6 -39.5 6.3 -35.2 87 87 A K H 34 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.683 107.9 52.5 -49.1 -23.9 -40.2 6.5 -38.9 88 88 A D H <4 S+ 0 0 78 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.723 121.0 28.0 -82.7 -23.0 -44.0 6.3 -38.1 89 89 A F H S+ 0 0 66 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.852 105.0 55.7 -67.8 -30.3 -43.3 13.2 -39.2 92 92 A V H >>S+ 0 0 45 2,-0.2 4,-2.8 -3,-0.2 5,-0.6 0.947 112.6 42.4 -59.4 -50.5 -46.2 13.6 -36.7 93 93 A I H X>S+ 0 0 0 -4,-2.0 5,-2.7 3,-0.2 4,-2.3 0.970 116.9 48.0 -57.9 -53.2 -43.8 15.6 -34.5 94 94 A E H <5S+ 0 0 110 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.813 121.4 34.0 -60.6 -39.2 -42.4 17.5 -37.4 95 95 A K H <5S+ 0 0 152 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.905 131.4 24.1 -83.3 -45.6 -45.7 18.4 -39.0 96 96 A E H <5S+ 0 0 64 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.725 129.7 26.7-102.6 -24.5 -48.0 18.9 -36.0 97 97 A I T >X> - 0 0 84 1,-0.1 4,-1.3 49,-0.0 -1,-0.4 -0.885 54.0-121.0-115.8 156.8 -43.3 27.7 -16.5 109 109 A F H > S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.928 103.7 61.2 -57.3 -48.6 -43.0 23.8 -17.0 110 110 A K H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 108.5 36.3 -53.4 -54.3 -46.5 23.0 -15.7 111 111 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.858 118.1 52.2 -71.3 -31.6 -48.7 24.9 -18.2 112 112 A M H X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.927 112.3 44.8 -67.3 -47.6 -46.4 24.1 -21.1 113 113 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.888 113.1 51.0 -64.1 -41.0 -46.3 20.4 -20.4 114 114 A E H X S+ 0 0 43 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.925 109.3 50.5 -63.6 -46.5 -50.1 20.3 -19.8 115 115 A E H X S+ 0 0 84 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.957 117.6 39.4 -52.2 -54.6 -50.8 22.0 -23.2 116 116 A F H < S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.808 114.4 54.1 -70.9 -30.1 -48.5 19.5 -25.1 117 117 A D H < S+ 0 0 7 -4,-2.7 9,-0.3 -5,-0.2 -1,-0.2 0.871 118.1 34.6 -64.0 -42.0 -49.7 16.6 -23.0 118 118 A K H < S+ 0 0 126 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.480 89.6 128.2 -96.1 -5.2 -53.4 17.2 -23.8 119 119 A M < - 0 0 12 -4,-1.0 7,-0.9 -5,-0.2 2,-0.3 -0.170 45.5-150.8 -51.3 140.4 -52.7 18.5 -27.3 120 120 A T E -F 125 0E 77 5,-0.2 2,-0.4 6,-0.0 5,-0.2 -0.790 11.6-151.8-115.6 160.0 -54.8 16.9 -30.0 121 121 A V E > S-F 124 0E 25 3,-3.0 3,-2.9 -2,-0.3 -25,-0.0 -0.994 85.9 -17.0-131.4 126.4 -54.3 16.1 -33.8 122 122 A N T 3 S- 0 0 145 -2,-0.4 3,-0.1 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179.7-142.3 106.8 -39.0 -6.1 -4.0 237 237 A I E -ij 194 272F 0 34,-2.3 36,-2.7 -2,-0.4 2,-0.6 -0.945 19.5-146.6-115.0 127.2 -40.4 -9.1 -5.9 238 238 A D E + j 0 273F 2 -44,-2.6 -41,-2.0 -2,-0.5 36,-0.2 -0.810 17.2 177.3 -90.1 121.7 -42.9 -8.9 -8.8 239 239 A V > - 0 0 0 34,-2.3 3,-2.6 -2,-0.6 4,-0.2 0.349 31.8-135.3-111.6 4.4 -45.2 -12.0 -8.8 240 240 A Y T 3 - 0 0 82 1,-0.3 37,-0.1 33,-0.2 34,-0.1 0.816 69.6 -56.6 48.0 45.9 -47.5 -11.1 -11.8 241 241 A G T 3> S+ 0 0 7 33,-2.4 4,-1.9 35,-0.3 36,-0.5 0.338 107.4 123.5 74.8 -5.6 -50.7 -12.1 -9.9 242 242 A T H <> + 0 0 9 -3,-2.6 4,-2.7 -45,-0.3 5,-0.2 0.780 65.5 58.0 -67.4 -27.7 -49.5 -15.6 -9.3 243 243 A I H > S+ 0 0 0 32,-0.8 4,-1.6 31,-0.3 6,-0.3 0.954 109.1 49.9 -63.1 -42.5 -49.8 -15.5 -5.5 244 244 A G H 4>S+ 0 0 1 31,-2.2 5,-3.4 -3,-0.3 6,-0.3 0.940 113.8 43.7 -51.6 -54.5 -53.5 -14.8 -6.3 245 245 A A H ><5S+ 0 0 64 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.893 113.5 48.5 -65.0 -43.8 -53.8 -17.7 -8.7 246 246 A A H 3<5S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.767 120.9 37.6 -69.7 -24.4 -51.9 -20.3 -6.6 247 247 A F T ><5S- 0 0 48 -4,-1.6 3,-2.1 -5,-0.2 -1,-0.2 0.123 111.8-112.8-116.4 19.1 -54.0 -19.4 -3.5 248 248 A D T < 5 - 0 0 143 -3,-0.9 -3,-0.2 1,-0.3 -4,-0.1 0.803 61.9 -76.7 57.5 33.8 -57.3 -18.8 -5.2 249 249 A V T 3 - 0 0 81 -3,-2.1 4,-2.3 -6,-0.3 5,-0.2 -0.553 36.0-147.1 -67.8 120.0 -58.1 -16.1 -0.7 251 251 A I H > S+ 0 0 47 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.920 94.3 48.3 -58.9 -49.1 -57.1 -13.2 1.4 252 252 A K H > S+ 0 0 142 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 113.1 47.7 -56.5 -49.4 -56.2 -15.3 4.5 253 253 A A H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.862 114.4 46.6 -60.6 -41.2 -54.1 -17.8 2.5 254 254 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.909 111.7 50.3 -69.3 -44.2 -52.3 -15.0 0.7 255 255 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.915 112.0 49.2 -59.5 -43.7 -51.6 -13.1 3.9 256 256 A D H X S+ 0 0 83 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.905 111.7 48.4 -60.2 -44.5 -50.3 -16.4 5.4 257 257 A Y H X S+ 0 0 16 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3 S+ 0 0 93 0, 0.0 -1,-0.4 0, 0.0 2,-0.4 -0.982 117.8 72.7 -73.4 -1.5 -33.4 -9.1 8.4 268 268 A F S < S- 0 0 6 -3,-3.0 2,-0.2 -6,-0.1 -34,-0.1 -0.676 82.3-124.9 -92.2 132.2 -34.5 -7.7 5.0 269 269 A H - 0 0 49 -2,-0.4 -34,-3.1 -36,-0.3 2,-0.4 -0.456 28.9-140.0 -74.2 140.3 -37.7 -5.8 4.5 270 270 A L E -jk 235 302F 3 31,-0.6 33,-2.7 -36,-0.2 2,-0.4 -0.875 21.2-177.8-115.8 136.7 -40.0 -7.2 1.8 271 271 A R E -jk 236 303F 11 -36,-2.1 -34,-2.3 -2,-0.4 2,-0.5 -0.980 11.2-161.0-121.7 133.0 -42.2 -5.7 -0.8 272 272 A I E -jk 237 304F 0 31,-3.0 33,-2.7 -2,-0.4 2,-0.3 -0.977 8.5-152.5-116.7 120.0 -44.4 -7.8 -3.1 273 273 A E E S-jk 238 305F 1 -36,-2.7 -34,-2.3 -2,-0.5 -33,-0.2 -0.704 71.9 -0.1 -89.5 144.9 -45.6 -6.3 -6.3 274 274 A G + 0 0 1 31,-2.6 -33,-2.4 -2,-0.3 -31,-0.3 0.827 66.9 176.1 49.5 46.2 -48.8 -7.5 -8.0 275 275 A P S S+ 0 0 0 0, 0.0 -31,-2.2 0, 0.0 -32,-0.8 0.905 71.4 13.8 -47.5 -49.8 -49.7 -10.2 -5.4 276 276 A M - 0 0 0 -33,-0.2 -35,-0.3 -32,-0.2 2,-0.2 -0.754 61.4-161.2-118.6 168.7 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-51.6 -4.5 8.7 297 297 A G H 3<5S+ 0 0 73 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.806 115.8 45.4 -59.1 -35.2 -54.0 -5.9 11.2 298 298 A R T 3<5S- 0 0 82 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.407 110.8-125.4 -87.5 -3.1 -51.7 -8.9 11.8 299 299 A G T < 5 + 0 0 62 -3,-1.1 2,-0.8 -4,-0.5 -3,-0.2 0.678 53.0 155.2 65.6 19.0 -48.7 -6.6 11.9 300 300 A V < - 0 0 16 -5,-1.8 2,-2.0 -6,-0.2 -1,-0.2 -0.727 38.5-145.5 -72.7 110.0 -46.7 -8.4 9.2 301 301 A D + 0 0 130 -2,-0.8 -31,-0.6 -3,-0.1 2,-0.4 -0.482 57.3 117.9 -83.5 67.3 -44.4 -5.6 8.0 302 302 A A E -k 270 0F 1 -2,-2.0 2,-0.2 -33,-0.1 -31,-0.2 -0.985 54.8-136.4-126.9 142.2 -44.3 -6.6 4.4 303 303 A E E -k 271 0F 18 -33,-2.7 -31,-3.0 -2,-0.4 2,-0.5 -0.649 0.9-139.7-104.8 155.8 -45.6 -4.2 1.7 304 304 A L E -k 272 0F 0 -2,-0.2 22,-2.7 -33,-0.2 23,-1.7 -0.949 13.2-154.3-112.7 129.0 -47.8 -4.7 -1.4 305 305 A V E -kl 273 327F 0 -33,-2.7 -31,-2.6 -2,-0.5 23,-0.2 -0.919 13.8-137.6-106.4 119.7 -46.9 -2.8 -4.5 306 306 A A E + l 0 328F 0 21,-2.6 23,-1.5 -2,-0.6 3,-0.1 -0.401 44.5 132.3 -72.9 150.8 -49.8 -2.1 -7.0 307 307 A D > + 0 0 22 1,-0.5 3,-2.4 21,-0.1 -1,-0.1 0.086 44.7 77.3-154.8 -79.4 -49.3 -2.5 -10.7 308 308 A E T 3 S+ 0 0 32 1,-0.3 -1,-0.5 -32,-0.2 -30,-0.1 -0.145 112.2 6.8 -56.6 134.3 -52.0 -4.4 -12.7 309 309 A W T 3 S+ 0 0 93 1,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.355 106.0 101.2 70.4 -1.9 -55.1 -2.3 -13.3 310 310 A C < + 0 0 1 -3,-2.4 21,-0.1 1,-0.1 -1,-0.1 -0.889 42.8 126.3-111.3 97.9 -53.5 0.8 -11.8 311 311 A N + 0 0 75 -2,-0.7 20,-0.4 19,-0.1 -1,-0.1 0.785 50.2 46.5-122.8 -63.7 -52.4 2.8 -15.0 312 312 A T S > S- 0 0 57 1,-0.1 4,-2.2 18,-0.1 5,-0.1 -0.256 88.1 -97.9 -85.7 177.2 -53.6 6.4 -15.3 313 313 A V H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.848 125.7 53.4 -63.9 -36.9 -53.4 9.3 -12.8 314 314 A E H > S+ 0 0 126 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.877 108.3 51.6 -65.0 -37.7 -57.1 8.7 -11.9 315 315 A D H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.913 109.2 48.6 -61.4 -46.5 -56.2 5.0 -11.2 316 316 A V H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.908 113.2 48.2 -62.0 -42.6 -53.3 6.1 -8.9 317 317 A K H X S+ 0 0 90 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.900 112.1 50.6 -59.0 -45.1 -55.8 8.4 -7.2 318 318 A F H X S+ 0 0 37 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.894 112.8 43.5 -58.2 -47.1 -58.2 5.5 -7.0 319 319 A F H <>S+ 0 0 0 -4,-2.9 5,-2.5 2,-0.2 -2,-0.2 0.877 115.8 50.2 -71.2 -35.8 -55.6 3.1 -5.4 320 320 A T H ><5S+ 0 0 4 -4,-2.5 3,-1.6 -5,-0.2 -2,-0.2 0.934 107.5 52.2 -60.9 -51.6 -54.4 5.9 -3.1 321 321 A D H 3<5S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 116.1 40.5 -60.1 -29.1 -57.9 6.8 -1.8 322 322 A N T 3<5S- 0 0 55 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.129 106.2-121.2-109.3 19.3 -58.7 3.2 -0.9 323 323 A K T < 5 + 0 0 133 -3,-1.6 2,-1.7 1,-0.2 -3,-0.2 0.836 46.2 171.5 39.3 48.0 -55.3 2.2 0.6 324 324 A A < - 0 0 0 -5,-2.5 -35,-0.2 -6,-0.1 -1,-0.2 -0.564 61.4 -18.6 -89.3 77.8 -55.0 -0.6 -2.0 325 325 A G S S- 0 0 0 -2,-1.7 -20,-0.2 -37,-0.4 3,-0.1 -0.452 74.6 -99.4 105.8 171.7 -51.4 -1.6 -1.3 326 326 A H S S+ 0 0 24 -22,-2.7 28,-2.6 1,-0.2 2,-0.3 0.618 104.2 27.3-102.5 -21.1 -48.6 0.3 0.5 327 327 A M E -lm 305 354F 0 -23,-1.7 -21,-2.6 26,-0.2 2,-0.4 -0.957 68.8-149.7-140.5 152.5 -46.9 1.5 -2.7 328 328 A V E -lm 306 355F 0 26,-1.9 28,-3.0 -2,-0.3 2,-0.7 -0.993 19.7-123.2-130.9 134.4 -48.1 2.3 -6.2 329 329 A Q E - m 0 356F 24 -23,-1.5 2,-0.9 -2,-0.4 28,-0.2 -0.669 16.3-153.6 -77.8 114.4 -46.1 2.0 -9.4 330 330 A I E - m 0 357F 0 26,-3.2 28,-2.0 -2,-0.7 2,-1.5 -0.833 14.3-147.6 -87.6 109.0 -46.1 5.3 -11.3 331 331 A K >> - 0 0 18 -2,-0.9 4,-1.4 -20,-0.4 3,-0.5 -0.613 15.3-170.7 -87.9 87.0 -45.6 4.0 -14.8 332 332 A T G >4 S+ 0 0 0 -2,-1.5 3,-0.5 1,-0.3 4,-0.3 0.816 78.2 43.2 -54.6 -49.9 -43.6 6.8 -16.3 333 333 A P G >4 S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.885 114.5 52.5 -62.2 -36.0 -43.6 5.9 -20.1 334 334 A D G <4 S+ 0 0 35 -3,-0.5 -2,-0.2 1,-0.2 3,-0.1 0.729 96.1 67.0 -74.1 -23.3 -47.3 5.1 -20.0 335 335 A L G << S- 0 0 13 -4,-1.4 2,-0.6 -3,-0.5 -1,-0.2 0.526 86.9-151.5 -80.8 -4.4 -48.4 8.4 -18.4 336 336 A G S < S+ 0 0 0 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10,-0.3 -0.704 55.6-139.3 -65.8 121.6 -20.4 1.2 -28.3 802 386 B K + 0 0 3 8,-1.0 12,-0.2 -2,-0.5 2,-0.1 -0.963 38.5 18.2-163.8 165.1 -19.8 1.6 -24.5 803 387 B P S S+ 0 0 0 0, 0.0 -26,-0.2 0, 0.0 7,-0.2 0.637 90.4 28.7 -87.3-165.3 -19.9 1.3 -21.5 804 388 B G S S- 0 0 12 -27,-2.4 -373,-0.2 -25,-0.1 3,-0.1 0.161 71.9-110.8 80.6 161.6 -21.4 -1.8 -20.0 805 389 B M S S+ 0 0 60 -375,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.249 95.9 92.7-105.9 5.4 -21.6 -5.4 -21.3 806 390 B G S S- 0 0 8 -376,-0.2 2,-2.2 1,-0.2 -417,-0.1 0.680 73.7-156.6 -72.9 -18.7 -25.4 -5.3 -21.8 807 391 B V S > S+ 0 0 8 1,-0.2 4,-2.8 -4,-0.2 5,-0.3 -0.438 79.4 68.7 75.8 -63.9 -24.8 -4.2 -25.4 808 392 B D H > S+ 0 0 1 -2,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.900 102.1 45.3 -48.3 -49.5 -28.2 -2.5 -25.9 809 393 B E H > S+ 0 0 0 -795,-0.3 4,-3.0 2,-0.2 5,-0.2 0.950 113.3 48.7 -64.0 -50.4 -27.3 0.3 -23.5 810 394 B G H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -8,-1.0 0.857 113.6 47.4 -56.1 -42.7 -23.8 0.9 -24.9 811 395 B M H X S+ 0 0 4 -4,-2.8 4,-2.8 -10,-0.3 5,-0.4 0.896 113.5 48.6 -64.2 -43.7 -25.2 1.0 -28.5 812 396 B M H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 5,-0.5 0.977 111.0 48.8 -63.2 -57.3 -28.0 3.4 -27.4 813 397 B I H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.920 120.5 37.1 -45.1 -54.9 -25.6 5.8 -25.6 814 398 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.909 119.7 42.4 -72.4 -48.0 -23.2 6.0 -28.5 815 399 B K H X S+ 0 0 50 -4,-2.8 4,-2.8 2,-0.2 -3,-0.2 0.887 113.8 51.1 -70.4 -38.3 -25.5 5.9 -31.6 816 400 B N H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.4 5,-0.2 0.929 111.6 48.4 -65.8 -41.7 -28.1 8.3 -30.2 817 401 B E H X S+ 0 0 20 -4,-1.5 4,-2.5 -5,-0.5 -2,-0.2 0.959 111.8 49.8 -60.1 -49.8 -25.3 10.8 -29.4 818 402 B M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.921 111.8 49.2 -49.8 -51.0 -23.9 10.4 -32.9 819 403 B N H X S+ 0 0 37 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.889 112.2 45.6 -57.5 -50.8 -27.4 10.9 -34.4 820 404 B R H X S+ 0 0 10 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.902 110.9 54.2 -61.2 -43.3 -28.2 14.1 -32.4 821 405 B V H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.903 109.3 47.3 -60.5 -43.0 -24.7 15.6 -33.1 822 406 B L H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.864 110.7 53.2 -66.7 -36.8 -25.2 15.1 -36.9 823 407 B A H X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.973 112.8 42.7 -58.8 -57.3 -28.7 16.7 -36.6 824 408 B L H X S+ 0 0 20 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.920 114.2 50.1 -55.7 -49.3 -27.3 19.8 -34.9 825 409 B V H X S+ 0 0 11 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.907 111.1 49.8 -57.5 -40.9 -24.3 20.1 -37.2 826 410 B G H X S+ 0 0 28 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.850 107.1 54.6 -69.7 -35.9 -26.5 19.8 -40.2 827 411 B R H < S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.891 106.4 53.4 -56.3 -40.6 -28.8 22.5 -38.8 828 412 B R H < S+ 0 0 69 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.826 101.5 57.1 -73.3 -32.2 -25.8 24.8 -38.5 829 413 B K H < S+ 0 0 132 -4,-1.5 2,-1.0 1,-0.3 -1,-0.2 0.887 107.2 51.2 -62.8 -41.6 -24.7 24.4 -42.1 830 414 B K < 0 0 178 -4,-1.3 -1,-0.3 1,-0.1 -4,-0.0 -0.690 360.0 360.0 -97.4 76.7 -28.2 25.7 -43.3 831 415 B L 0 0 149 -2,-1.0 -2,-0.1 -3,-0.4 -1,-0.1 0.264 360.0 360.0-132.9 360.0 -28.4 28.9 -41.2