==== 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 3ZVI . 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) . 29590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 73.4 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 . 61 7.3 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 . 56 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 36.0 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 3 1 0 2 4 2 2 2 2 0 2 0 3 1 2 0 0 0 2 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 2 0 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 57 0, 0.0 105,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 130.5 -36.4 32.7 -24.1 2 2 A K B -A 105 0A 88 103,-0.3 58,-2.0 105,-0.0 2,-0.5 -0.902 360.0-115.5-117.6 152.1 -38.0 30.9 -27.0 3 3 A I E -B 59 0B 1 101,-2.3 100,-3.2 98,-0.4 101,-0.3 -0.768 32.2-177.5 -71.7 130.4 -37.5 27.5 -28.6 4 4 A V E + 0 0 57 54,-3.4 2,-0.3 -2,-0.5 55,-0.2 0.643 59.4 12.3-108.4 -21.8 -36.1 28.3 -32.1 5 5 A D E -B 58 0B 40 53,-1.4 53,-2.4 96,-0.1 2,-0.4 -0.990 54.9-152.0-156.0 152.6 -35.8 24.9 -33.6 6 6 A V E -B 57 0B 14 -2,-0.3 2,-0.4 51,-0.2 51,-0.2 -0.999 13.8-173.4-128.2 128.3 -36.9 21.2 -33.0 7 7 A L E -B 56 0B 30 49,-2.4 49,-2.9 -2,-0.4 2,-0.5 -0.990 5.1-162.5-124.5 131.8 -34.9 18.2 -34.3 8 8 A C E -B 55 0B 16 -2,-0.4 47,-0.2 47,-0.2 -2,-0.0 -0.948 7.7-176.5-111.3 129.7 -36.0 14.6 -34.1 9 9 A T E -B 54 0B 12 45,-2.3 45,-2.6 -2,-0.5 2,-0.1 -0.987 25.5-124.0-122.6 142.7 -33.6 11.7 -34.5 10 10 A P E +B 53 0B 65 0, 0.0 2,-0.3 0, 0.0 43,-0.2 -0.465 44.7 161.5 -70.0 144.8 -34.4 7.9 -34.6 11 11 A G E -B 52 0B 9 41,-2.1 41,-2.0 -2,-0.1 75,-0.2 -0.919 34.1 -98.6-151.1-171.9 -32.6 5.9 -31.9 12 12 A L - 0 0 10 -2,-0.3 2,-0.2 39,-0.3 39,-0.2 -0.351 26.4-153.4-103.9-178.5 -32.2 2.8 -29.8 13 13 A T - 0 0 0 37,-0.4 799,-0.3 2,-0.4 351,-0.2 -0.780 40.0 -82.6-146.1-177.4 -33.1 2.0 -26.3 14 14 A G S S- 0 0 0 349,-2.4 375,-0.6 -2,-0.2 795,-0.3 0.529 103.3 -4.6 -76.0 -4.9 -32.0 -0.4 -23.5 15 15 A F S S- 0 0 4 348,-0.2 35,-1.8 373,-0.2 -2,-0.4 -0.513 82.3 -59.6-155.8-140.4 -34.0 -3.3 -24.9 16 16 A Y E -D 49 0C 0 33,-0.2 2,-0.7 -2,-0.2 33,-0.2 -0.865 26.8-122.0-130.0 151.4 -36.4 -4.7 -27.4 17 17 A F E -D 48 0C 0 31,-2.5 31,-2.7 -2,-0.3 2,-0.4 -0.913 40.2-167.1 -86.2 119.2 -39.9 -4.4 -28.7 18 18 A D E -D 47 0C 1 55,-2.1 2,-1.5 -2,-0.7 29,-0.2 -0.924 26.9-125.3-111.1 136.9 -41.4 -7.9 -28.2 19 19 A D > - 0 0 0 27,-3.1 4,-2.3 -2,-0.4 5,-0.2 -0.639 29.1-173.9 -76.1 91.4 -44.6 -9.1 -29.7 20 20 A Q H > S+ 0 0 53 -2,-1.5 4,-3.2 1,-0.2 5,-0.3 0.913 80.9 53.6 -55.2 -47.4 -46.3 -10.1 -26.4 21 21 A R H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 110.3 46.4 -56.8 -44.2 -49.3 -11.7 -28.2 22 22 A A H >>S+ 0 0 4 2,-0.2 5,-2.1 1,-0.2 4,-0.5 0.874 112.5 50.8 -66.0 -38.1 -47.0 -13.9 -30.4 23 23 A I H ><5S+ 0 0 36 -4,-2.3 3,-1.7 3,-0.2 -2,-0.2 0.964 109.9 49.0 -63.9 -48.4 -45.0 -14.9 -27.3 24 24 A K H 3<5S+ 0 0 165 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.810 106.8 57.6 -60.4 -30.8 -48.2 -15.8 -25.4 25 25 A K H 3<5S- 0 0 169 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.593 132.9 -90.2 -75.0 -10.4 -49.2 -17.8 -28.5 26 26 A G T <<5 + 0 0 58 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.2 0.678 54.5 178.3 111.5 23.1 -46.0 -19.8 -28.2 27 27 A A < - 0 0 19 -5,-2.1 2,-0.2 1,-0.1 9,-0.2 -0.282 32.3-125.7 -45.9 133.5 -43.2 -18.2 -30.1 28 28 A G - 0 0 26 7,-0.4 7,-3.4 1,-0.1 2,-0.3 -0.603 14.1-109.8 -93.0 153.3 -40.1 -20.3 -29.5 29 29 A H E +E 34 0D 148 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.565 35.4 168.5 -77.5 138.0 -36.7 -19.2 -28.2 30 30 A D E > -E 33 0D 53 3,-2.0 3,-1.6 1,-0.4 2,-0.0 -0.774 67.9 -55.1-147.8 102.9 -33.7 -19.3 -30.5 31 31 A G T 3 S- 0 0 36 -2,-0.3 -1,-0.4 1,-0.2 564,-0.1 -0.400 117.6 -25.3 55.4-135.5 -30.7 -17.5 -29.1 32 32 A F T 3 S+ 0 0 37 562,-0.2 -1,-0.2 563,-0.2 2,-0.2 0.129 128.8 83.9 -91.9 25.4 -31.8 -14.0 -28.1 33 33 A T E < S-E 30 0D 17 -3,-1.6 -3,-2.0 13,-0.0 2,-0.4 -0.657 73.4-127.3-123.6 163.9 -34.5 -14.2 -30.7 34 34 A Y E -E 29 0D 38 -2,-0.2 12,-0.4 -5,-0.2 13,-0.3 -0.963 24.2-135.2-115.1 144.0 -38.1 -15.5 -30.9 35 35 A T + 0 0 62 -7,-3.4 -7,-0.4 -2,-0.4 2,-0.1 -0.565 53.5 28.5 -90.2 155.2 -39.2 -17.9 -33.7 36 36 A G S S- 0 0 63 -2,-0.2 10,-0.4 -9,-0.2 -2,-0.1 -0.205 89.0 -24.1 101.9 179.4 -42.4 -17.8 -35.8 37 37 A S - 0 0 105 1,-0.1 2,-0.1 8,-0.1 8,-0.1 -0.318 58.5-119.7 -67.1 144.5 -45.0 -15.5 -37.2 38 38 A T - 0 0 50 6,-0.2 -1,-0.1 5,-0.1 8,-0.1 -0.460 22.0-171.8 -74.2 160.6 -45.7 -12.2 -35.6 39 39 A V + 0 0 63 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.641 60.1 79.6-120.1 -40.0 -49.2 -11.6 -34.3 40 40 A T S > S- 0 0 9 1,-0.1 3,-1.6 6,-0.0 -1,-0.1 -0.550 86.6-110.1 -81.1 131.9 -49.3 -7.9 -33.4 41 41 A E T 3 S+ 0 0 182 -2,-0.3 42,-0.4 1,-0.2 -1,-0.1 -0.235 101.6 31.1 -59.5 144.0 -49.7 -5.4 -36.2 42 42 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.2 40,-0.1 2,-0.2 -0.063 92.4 114.1 97.6 -33.5 -46.6 -3.3 -37.0 43 43 A F < - 0 0 11 -3,-1.6 -1,-0.3 1,-0.1 -5,-0.1 -0.520 39.2-178.7 -78.2 137.0 -44.2 -6.1 -36.0 44 44 A T S S+ 0 0 90 1,-0.3 2,-0.3 -2,-0.2 -6,-0.2 0.659 79.1 18.2-105.8 -23.5 -42.0 -7.7 -38.6 45 45 A Q S S- 0 0 68 1,-0.1 -1,-0.3 -8,-0.1 3,-0.1 -0.930 82.8-114.1-134.3 162.3 -40.3 -10.1 -36.2 46 46 A V S S+ 0 0 1 -12,-0.4 -27,-3.1 -10,-0.4 2,-0.5 0.891 109.9 34.3 -64.0 -40.1 -41.4 -11.2 -32.8 47 47 A R E S+D 18 0C 25 -13,-0.3 2,-0.3 -29,-0.2 -1,-0.2 -0.974 78.0 160.6-113.9 123.3 -38.4 -9.5 -31.3 48 48 A Q E -D 17 0C 12 -31,-2.7 -31,-2.5 -2,-0.5 555,-0.1 -0.886 48.0 -71.4-132.6 168.6 -37.1 -6.3 -32.8 49 49 A K E -D 16 0C 52 553,-0.4 -33,-0.2 -2,-0.3 2,-0.2 -0.286 49.1-120.5 -56.5 135.5 -34.9 -3.4 -31.7 50 50 A G - 0 0 0 -35,-1.8 -37,-0.4 -37,-0.1 2,-0.4 -0.546 35.8-146.7 -72.0 147.8 -36.6 -1.1 -29.2 51 51 A E - 0 0 26 33,-0.2 20,-0.5 -2,-0.2 2,-0.3 -0.928 19.9-177.9-128.2 147.8 -36.8 2.4 -30.7 52 52 A S E -B 11 0B 0 -41,-2.0 -41,-2.1 -2,-0.4 2,-0.4 -0.811 19.7-138.8-126.2 169.0 -36.6 6.0 -29.3 53 53 A I E -BC 10 69B 0 16,-1.5 16,-3.1 -2,-0.3 2,-0.5 -0.952 16.0-145.1-129.1 116.2 -36.9 9.4 -30.8 54 54 A S E -BC 9 68B 1 -45,-2.6 -45,-2.3 -2,-0.4 2,-0.6 -0.682 14.6-158.8 -73.5 125.7 -34.5 12.0 -29.5 55 55 A V E -BC 8 67B 0 12,-3.5 12,-2.2 -2,-0.5 2,-0.5 -0.963 7.6-169.6-108.1 118.8 -36.2 15.4 -29.4 56 56 A L E -BC 7 66B 4 -49,-2.9 -49,-2.4 -2,-0.6 2,-0.6 -0.938 7.5-163.6-109.4 126.9 -33.9 18.4 -29.4 57 57 A L E -BC 6 65B 0 8,-2.1 8,-2.6 -2,-0.5 2,-0.5 -0.940 11.2-151.3-109.4 108.0 -35.2 21.8 -28.7 58 58 A V E -BC 5 64B 6 -53,-2.4 -54,-3.4 -2,-0.6 -53,-1.4 -0.698 15.4-150.4 -78.6 124.9 -32.7 24.5 -29.7 59 59 A L E > -B 3 0B 1 4,-2.9 3,-2.3 -2,-0.5 -56,-0.2 -0.584 26.5-106.5 -93.2 159.5 -33.2 27.6 -27.5 60 60 A E T 3 S+ 0 0 111 -58,-2.0 -57,-0.1 1,-0.3 -1,-0.1 0.762 119.2 58.7 -56.0 -30.5 -32.4 31.2 -28.7 61 61 A D T 3 S- 0 0 40 -59,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.416 122.2-104.2 -83.0 3.5 -29.3 31.3 -26.5 62 62 A G S < S+ 0 0 24 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.1 0.258 78.3 133.3 94.2 -12.7 -27.9 28.3 -28.4 63 63 A Q - 0 0 10 -5,-0.1 -4,-2.9 78,-0.0 2,-0.5 -0.328 47.3-141.5 -66.1 155.8 -28.5 25.7 -25.6 64 64 A V E -C 58 0B 44 -6,-0.2 2,-0.2 -3,-0.1 -6,-0.2 -0.972 6.8-154.6-127.0 117.0 -30.1 22.4 -26.7 65 65 A A E -C 57 0B 0 -8,-2.6 -8,-2.1 -2,-0.5 2,-0.4 -0.619 15.7-158.5 -86.3 152.8 -32.7 20.7 -24.5 66 66 A H E +C 56 0B 26 -2,-0.2 2,-0.3 -10,-0.2 -10,-0.2 -0.976 21.6 158.7-147.2 116.4 -33.0 16.9 -24.9 67 67 A G E -C 55 0B 0 -12,-2.2 -12,-3.5 -2,-0.4 2,-0.5 -0.941 27.9-135.9-128.7 157.4 -35.7 14.4 -24.2 68 68 A D E -C 54 0B 0 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.966 7.2-141.3-119.0 123.2 -36.2 10.9 -25.6 69 69 A C E +C 53 0B 0 -16,-3.1 -16,-1.5 -2,-0.5 2,-0.3 -0.588 38.9 156.0 -69.9 135.6 -39.5 9.4 -26.8 70 70 A A - 0 0 0 59,-0.5 2,-0.3 -2,-0.3 293,-0.1 -0.982 25.6-154.8-160.9 159.9 -39.7 5.8 -25.7 71 71 A A - 0 0 5 291,-0.5 4,-0.1 -20,-0.5 263,-0.1 -0.790 32.7 -80.6-131.8 171.2 -42.2 3.0 -25.1 72 72 A V > - 0 0 18 -2,-0.3 3,-0.8 2,-0.1 12,-0.2 -0.147 44.8-102.7 -65.9 166.4 -42.5 -0.2 -23.1 73 73 A Q T 3 S+ 0 0 40 1,-0.3 -55,-2.1 -56,-0.1 2,-1.3 0.915 121.4 53.2 -52.1 -47.6 -41.1 -3.6 -24.2 74 74 A Y T > S+ 0 0 65 -57,-0.2 3,-1.8 -55,-0.1 -1,-0.3 -0.324 80.7 172.1 -93.7 53.2 -44.5 -4.8 -25.1 75 75 A S T < + 0 0 4 -2,-1.3 8,-0.3 -3,-0.8 -55,-0.2 -0.374 67.3 19.3 -62.1 136.4 -45.3 -1.8 -27.3 76 76 A G T 3 S+ 0 0 10 5,-1.2 -1,-0.3 6,-0.3 7,-0.2 0.541 95.2 134.1 79.1 6.7 -48.5 -2.3 -29.2 77 77 A A S X S- 0 0 6 -3,-1.8 3,-2.3 1,-0.2 -1,-0.2 -0.067 70.1 -43.8 -75.1-177.4 -49.8 -5.0 -26.9 78 78 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.286 131.2 3.5 -51.4 123.8 -53.3 -5.1 -25.4 79 79 A G T 3 S+ 0 0 93 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.479 108.6 114.4 79.1 4.7 -54.4 -1.7 -24.2 80 80 A R S < S- 0 0 93 -3,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.725 73.1-100.0-109.9 156.3 -51.3 0.0 -25.5 81 81 A D - 0 0 56 -2,-0.3 -5,-1.2 1,-0.1 3,-0.2 -0.242 63.0 -71.6 -62.7 159.8 -50.6 2.6 -28.2 82 82 A P S S- 0 0 85 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.044 71.0 -63.7 -58.7 159.2 -49.3 1.2 -31.5 83 83 A L - 0 0 5 -42,-0.4 2,-2.1 -8,-0.3 5,-0.1 -0.155 55.9-123.7 -42.0 124.2 -45.8 -0.2 -31.9 84 84 A F + 0 0 0 -12,-0.2 2,-0.5 -3,-0.2 -33,-0.2 -0.417 42.5 167.2 -86.8 74.0 -43.5 2.7 -31.4 85 85 A L >> - 0 0 10 -2,-2.1 4,-1.3 1,-0.2 3,-0.9 -0.709 35.8-141.0 -85.5 127.2 -41.4 2.9 -34.6 86 86 A A H >> S+ 0 0 0 -2,-0.5 4,-3.4 1,-0.2 3,-1.0 0.935 103.2 57.0 -51.5 -45.7 -39.4 6.1 -35.0 87 87 A K H 34 S+ 0 0 156 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.795 107.4 48.2 -57.3 -32.3 -40.3 6.1 -38.7 88 88 A D H <4 S+ 0 0 81 -3,-0.9 -1,-0.3 1,-0.1 4,-0.2 0.740 123.2 31.7 -77.7 -24.0 -44.0 6.1 -37.9 89 89 A F H S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.832 106.0 53.4 -62.6 -32.1 -43.3 12.7 -39.1 92 92 A V H >>S+ 0 0 43 -3,-0.3 4,-3.3 -4,-0.2 5,-0.8 0.964 111.8 44.2 -63.9 -52.6 -46.1 13.3 -36.6 93 93 A I H X>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 4,-2.0 0.950 115.4 49.2 -54.8 -51.5 -43.8 15.3 -34.3 94 94 A E H <5S+ 0 0 106 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 121.3 33.1 -60.5 -40.6 -42.4 17.2 -37.3 95 95 A K H <5S+ 0 0 153 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 132.2 24.0 -83.7 -43.1 -45.7 18.1 -38.8 96 96 A E H <5S+ 0 0 53 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.760 130.4 27.8-100.5 -26.9 -48.0 18.5 -35.8 97 97 A I T >X> - 0 0 88 1,-0.1 4,-1.3 49,-0.0 -1,-0.4 -0.917 54.0-120.1-125.8 157.3 -43.1 27.4 -16.7 109 109 A F H > S+ 0 0 0 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.941 103.3 56.9 -60.9 -50.9 -42.8 23.6 -17.0 110 110 A K H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 108.9 40.9 -53.6 -56.9 -46.3 22.7 -15.8 111 111 A P H > S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.889 118.8 48.3 -63.3 -34.6 -48.5 24.7 -18.2 112 112 A M H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.935 113.1 46.5 -66.2 -47.1 -46.2 23.8 -21.1 113 113 A A H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.900 112.0 51.3 -64.6 -40.7 -46.1 20.1 -20.3 114 114 A E H X S+ 0 0 44 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.907 108.3 51.5 -64.2 -40.7 -49.8 20.0 -19.8 115 115 A E H X S+ 0 0 88 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.923 115.6 40.8 -62.0 -46.6 -50.5 21.6 -23.1 116 116 A F H < S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.809 112.7 54.4 -76.1 -26.6 -48.3 19.2 -25.0 117 117 A D H < S+ 0 0 6 -4,-2.5 9,-0.3 -5,-0.2 -1,-0.2 0.854 118.9 35.1 -68.3 -33.9 -49.5 16.2 -23.0 118 118 A K H < S+ 0 0 124 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.633 87.7 119.1 -98.2 -16.6 -53.2 17.0 -23.9 119 119 A M < - 0 0 19 -4,-1.6 7,-0.7 -5,-0.2 2,-0.3 -0.074 50.5-144.7 -57.2 150.3 -52.9 18.4 -27.4 120 120 A T E -F 125 0E 70 5,-0.2 2,-0.4 -24,-0.0 5,-0.2 -0.804 11.8-150.9-117.7 157.6 -54.7 16.6 -30.2 121 121 A V E > S-F 124 0E 24 3,-2.5 3,-2.4 -2,-0.3 -25,-0.0 -0.994 89.9 -18.4-126.5 119.1 -54.1 15.8 -33.8 122 122 A N T 3 S- 0 0 152 -2,-0.4 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0 0 92 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.970 118.1 70.8 -81.3 6.8 -33.1 -8.9 8.8 268 268 A F S < S- 0 0 7 -3,-2.7 2,-0.2 -4,-0.1 -34,-0.1 -0.660 82.4-120.8 -96.5 140.4 -34.2 -7.4 5.4 269 269 A H - 0 0 46 -2,-0.3 -34,-3.0 -36,-0.3 2,-0.4 -0.555 30.4-137.4 -75.8 140.6 -37.5 -5.7 4.9 270 270 A L E -jk 235 302F 2 31,-0.6 33,-2.4 -2,-0.2 2,-0.4 -0.868 20.5-176.3-112.2 131.8 -39.8 -7.2 2.2 271 271 A R E -jk 236 303F 11 -36,-2.1 -34,-2.6 -2,-0.4 2,-0.5 -0.985 10.8-160.2-117.0 131.2 -41.9 -5.6 -0.5 272 272 A I E -jk 237 304F 0 31,-3.1 33,-2.7 -2,-0.4 2,-0.4 -0.958 7.8-153.2-110.2 119.7 -44.1 -7.8 -2.6 273 273 A E E S-jk 238 305F 2 -36,-2.8 -34,-2.4 -2,-0.5 -33,-0.4 -0.784 72.3 -4.2 -90.8 136.2 -45.2 -6.4 -5.9 274 274 A G + 0 0 0 31,-2.9 -33,-3.2 -2,-0.4 -31,-0.3 0.870 65.9 176.9 57.1 52.1 -48.5 -7.6 -7.4 275 275 A P S S+ 0 0 0 0, 0.0 -31,-2.6 0, 0.0 -32,-0.9 0.882 73.0 17.1 -55.3 -45.2 -49.4 -10.4 -4.9 276 276 A M B -O 242 0G 0 -33,-0.2 -35,-0.3 -32,-0.2 2,-0.2 -0.839 61.8-161.8-118.7 162.4 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-51.1 -4.3 8.9 297 297 A G H 3<5S+ 0 0 72 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.855 112.7 43.9 -58.1 -36.9 -53.7 -5.6 11.4 298 298 A R H 3<5S- 0 0 78 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.564 111.2-123.1 -85.2 -12.0 -51.3 -8.5 12.2 299 299 A G T <<5 + 0 0 63 -4,-0.8 2,-0.7 -3,-0.8 -3,-0.2 0.740 55.0 156.3 72.5 23.3 -48.3 -6.1 12.3 300 300 A V < - 0 0 17 -5,-2.2 2,-2.1 -6,-0.2 -1,-0.3 -0.769 39.1-144.1 -80.4 111.4 -46.5 -8.1 9.6 301 301 A D + 0 0 124 -2,-0.7 -31,-0.6 -3,-0.1 2,-0.4 -0.403 56.4 122.2 -87.0 62.5 -44.1 -5.5 8.3 302 302 A A E -k 270 0F 1 -2,-2.1 2,-0.3 -33,-0.1 -31,-0.2 -0.989 51.8-141.9-121.4 129.4 -44.2 -6.5 4.7 303 303 A E E -k 271 0F 19 -33,-2.4 -31,-3.1 -2,-0.4 2,-0.4 -0.647 2.3-142.3 -93.4 151.0 -45.3 -4.0 2.1 304 304 A L E -k 272 0F 0 -2,-0.3 22,-2.4 -33,-0.2 23,-1.6 -0.913 11.4-153.7-108.3 141.0 -47.5 -4.6 -1.0 305 305 A V E -kl 273 327F 0 -33,-2.7 -31,-2.9 -2,-0.4 23,-0.2 -0.968 12.5-136.5-119.0 124.1 -46.7 -2.8 -4.3 306 306 A A E + l 0 328F 1 21,-2.8 23,-1.4 -2,-0.5 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-2,-0.2 0.914 112.0 45.9 -59.7 -45.8 -53.1 6.0 -8.9 317 317 A K H X S+ 0 0 96 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.924 113.9 49.6 -61.3 -44.9 -55.6 8.2 -7.1 318 318 A F H X S+ 0 0 37 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.939 114.1 43.5 -60.1 -50.4 -58.1 5.3 -6.8 319 319 A F H <>S+ 0 0 0 -4,-3.3 5,-2.5 1,-0.2 3,-0.2 0.912 117.0 48.3 -63.9 -41.9 -55.5 2.9 -5.4 320 320 A T H ><5S+ 0 0 3 -4,-2.6 3,-1.8 -5,-0.3 -2,-0.2 0.938 107.5 53.3 -62.6 -48.5 -54.1 5.6 -3.1 321 321 A D H 3<5S+ 0 0 85 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 115.3 42.6 -59.0 -27.4 -57.6 6.7 -1.8 322 322 A N T 3<5S- 0 0 50 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.219 105.8-121.1-107.0 9.5 -58.3 3.1 -0.9 323 323 A K T < 5 + 0 0 123 -3,-1.8 2,-2.0 1,-0.2 -3,-0.2 0.893 46.1 172.4 51.0 41.2 -55.0 2.1 0.7 324 324 A A < - 0 0 0 -5,-2.5 -35,-0.3 -6,-0.1 -1,-0.2 -0.546 64.0 -24.1 -84.1 73.7 -54.8 -0.6 -2.0 325 325 A G S S- 0 0 0 -2,-2.0 -20,-0.2 -37,-0.4 3,-0.1 -0.446 76.6 -93.1 105.2 175.3 -51.3 -1.6 -1.1 326 326 A H S S+ 0 0 21 -22,-2.4 28,-2.8 1,-0.3 2,-0.3 0.616 105.0 24.7 -99.5 -21.4 -48.4 0.3 0.6 327 327 A M E -lm 305 354F 0 -23,-1.6 -21,-2.8 26,-0.2 2,-0.4 -0.993 68.0-147.7-148.2 142.2 -46.7 1.6 -2.5 328 328 A V E -lm 306 355F 0 26,-2.8 28,-2.8 -2,-0.3 2,-0.5 -0.939 20.5-124.0-115.1 136.9 -48.0 2.3 -6.1 329 329 A Q E - m 0 356F 19 -23,-1.4 2,-0.7 -2,-0.4 28,-0.2 -0.728 17.8-151.3 -80.5 121.3 -45.9 1.9 -9.2 330 330 A I E - m 0 357F 0 26,-3.3 28,-2.6 -2,-0.5 2,-1.4 -0.880 12.7-146.7 -97.5 111.0 -45.8 5.1 -11.2 331 331 A K >> - 0 0 16 -2,-0.7 4,-1.2 -20,-0.4 3,-0.7 -0.613 14.4-169.5 -93.6 85.5 -45.4 3.9 -14.7 332 332 A T G >4 S+ 0 0 0 -2,-1.4 3,-0.9 1,-0.3 4,-0.3 0.823 79.0 43.9 -51.0 -53.0 -43.3 6.6 -16.3 333 333 A P G >4 S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.886 114.4 51.9 -62.8 -31.8 -43.4 5.7 -20.0 334 334 A D G <4 S+ 0 0 36 -3,-0.7 -2,-0.2 1,-0.3 3,-0.1 0.657 95.5 66.6 -80.3 -19.7 -47.1 4.9 -19.9 335 335 A L G << S- 0 0 10 -4,-1.2 2,-0.5 -3,-0.9 -1,-0.3 0.505 87.9-152.0 -80.1 -4.2 -48.3 8.2 -18.3 336 336 A G S < S+ 0 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0.906 110.0 49.1 -58.1 -43.4 4.0 7.0 -29.0 731 315 B D H > S+ 0 0 19 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.912 108.5 53.3 -61.8 -44.3 3.0 3.3 -29.5 732 316 B V H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.951 111.8 45.2 -55.2 -49.0 0.2 4.4 -31.8 733 317 B K H X S+ 0 0 87 -4,-2.6 4,-3.7 2,-0.2 5,-0.2 0.923 113.4 51.2 -61.2 -44.2 2.7 6.4 -33.9 734 318 B F H X S+ 0 0 37 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.937 112.9 43.0 -57.9 -53.4 5.2 3.5 -33.8 735 319 B F H <>S+ 0 0 0 -4,-3.4 5,-2.9 1,-0.2 4,-0.2 0.894 117.4 49.5 -61.1 -38.3 2.6 0.9 -35.0 736 320 B T H ><5S+ 0 0 4 -4,-2.6 3,-1.9 -5,-0.3 -2,-0.2 0.955 107.5 51.0 -63.8 -53.9 1.4 3.5 -37.5 737 321 B D H 3<5S+ 0 0 87 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 116.4 44.0 -55.3 -29.7 4.8 4.4 -39.0 738 322 B N T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.333 106.1-121.8-101.7 5.9 5.5 0.7 -39.4 739 323 B K T < 5 + 0 0 115 -3,-1.9 2,-2.2 -4,-0.2 -3,-0.2 0.898 44.2 174.7 50.7 44.3 2.2 -0.5 -40.9 740 324 B A < - 0 0 0 -5,-2.9 -35,-0.3 -6,-0.2 -1,-0.2 -0.476 64.0 -27.3 -82.0 73.1 2.0 -2.9 -38.0 741 325 B G S S- 0 0 0 -2,-2.2 -20,-0.2 -37,-0.4 3,-0.1 -0.479 77.7 -90.1 102.2 175.8 -1.5 -4.0 -38.9 742 326 B H S S+ 0 0 22 -22,-2.5 28,-1.8 1,-0.3 2,-0.3 0.561 105.9 31.3 -99.7 -15.5 -4.3 -2.3 -40.8 743 327 B M E -za 721 770L 0 -23,-1.5 -21,-2.8 26,-0.2 2,-0.4 -0.994 68.6-148.0-150.1 137.6 -6.0 -0.7 -37.9 744 328 B V E -za 722 771L 0 26,-2.8 28,-2.9 -2,-0.3 2,-0.6 -0.934 17.6-129.2-114.1 132.8 -4.8 0.6 -34.6 745 329 B Q E - a 0 772L 17 -23,-0.6 2,-0.8 -2,-0.4 28,-0.2 -0.711 13.4-154.1 -83.0 119.9 -6.8 0.6 -31.4 746 330 B I E - a 0 773L 0 26,-3.2 28,-2.5 -2,-0.6 2,-1.6 -0.868 12.2-148.2 -96.9 107.6 -6.8 3.9 -29.6 747 331 B K >> - 0 0 17 -2,-0.8 4,-1.1 -20,-0.4 3,-0.7 -0.563 12.4-165.6 -88.4 83.1 -7.4 3.0 -26.0 748 332 B T G >4 S+ 0 0 0 -2,-1.6 3,-0.8 1,-0.2 4,-0.3 0.779 79.0 42.4 -46.2 -51.7 -9.4 6.0 -24.8 749 333 B P G >4 S+ 0 0 4 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.911 112.5 54.4 -63.8 -37.5 -9.3 5.6 -21.0 750 334 B D G <4 S+ 0 0 41 -3,-0.7 -2,-0.2 1,-0.3 3,-0.1 0.662 95.7 67.9 -69.6 -17.8 -5.6 4.7 -21.0 751 335 B L G << S- 0 0 12 -4,-1.1 2,-0.6 -3,-0.8 -1,-0.3 0.542 87.1-153.5 -78.5 -6.2 -4.6 7.8 -22.9 752 336 B G S < S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.3 5,-0.1 -0.591 70.6 51.4 67.9-115.7 -5.5 10.2 -20.1 753 337 B G S > S- 0 0 0 -2,-0.6 3,-1.8 1,-0.2 4,-0.4 -0.300 80.3-136.3 -55.7 133.2 -6.4 13.6 -21.6 754 338 B V T >> S+ 0 0 0 -207,-0.4 4,-1.5 1,-0.3 3,-0.5 0.659 101.1 74.9 -71.2 -16.3 -9.0 13.1 -24.4 755 339 B N H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.805 88.3 62.2 -57.7 -31.6 -7.0 15.4 -26.5 756 340 B N H <> S+ 0 0 25 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.807 97.7 55.6 -65.0 -32.8 -4.6 12.5 -26.9 757 341 B I H <> S+ 0 0 0 -3,-0.5 4,-3.0 -4,-0.4 5,-0.3 0.948 108.4 47.8 -59.7 -51.3 -7.4 10.5 -28.5 758 342 B A H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.943 113.6 46.6 -60.8 -46.7 -7.7 13.3 -31.1 759 343 B D H X S+ 0 0 52 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.895 113.0 50.3 -59.6 -40.6 -4.0 13.4 -31.7 760 344 B A H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.944 112.9 45.2 -65.4 -46.1 -3.7 9.6 -32.0 761 345 B I H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.919 113.1 50.3 -61.2 -43.9 -6.6 9.4 -34.5 762 346 B M H X S+ 0 0 39 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.855 107.3 54.5 -66.7 -32.7 -5.3 12.3 -36.6 763 347 B Y H X S+ 0 0 59 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.955 110.5 45.9 -61.8 -48.5 -1.8 10.7 -36.7 764 348 B C H ><>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 3,-0.6 0.936 113.5 50.2 -56.5 -48.9 -3.4 7.5 -38.1 765 349 B K H ><5S+ 0 0 82 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.928 107.3 52.8 -54.7 -50.4 -5.4 9.6 -40.6 766 350 B A H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 116.9 40.0 -59.5 -25.7 -2.4 11.5 -41.8 767 351 B N T <<5S- 0 0 73 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.265 114.1-112.1-111.6 11.2 -0.7 8.2 -42.4 768 352 B G T < 5 + 0 0 65 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.2 0.758 67.9 143.3 65.4 27.4 -3.6 6.3 -43.9 769 353 B M < - 0 0 8 -5,-2.9 -1,-0.2 -6,-0.2 -26,-0.2 -0.827 56.7-111.3 -97.3 134.1 -3.8 3.9 -40.9 770 354 B G E -a 743 0L 2 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3.7 -18.1 780 364 B T > - 0 0 0 -351,-0.2 4,-2.1 -296,-0.2 5,-0.1 -0.692 21.7-107.9-123.3 171.6 -19.5 5.7 -18.2 781 365 B N H > S+ 0 0 1 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.908 120.6 46.4 -54.3 -44.8 -22.4 6.8 -20.3 782 366 B R H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 110.6 49.7 -70.3 -45.4 -21.0 10.4 -20.3 783 367 B S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.914 110.4 53.5 -61.8 -37.5 -17.4 9.4 -21.1 784 368 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.902 108.2 48.9 -63.4 -40.4 -18.8 7.3 -23.9 785 369 B E H X S+ 0 0 24 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.943 112.3 49.7 -64.1 -43.6 -20.7 10.2 -25.4 786 370 B V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.962 113.5 42.2 -61.2 -54.1 -17.6 12.4 -25.1 787 371 B T H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.851 109.9 59.1 -68.1 -28.9 -15.2 10.0 -26.8 788 372 B T H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.935 104.1 51.9 -58.2 -48.2 -17.8 9.2 -29.5 789 373 B N H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.913 110.3 48.7 -50.8 -45.5 -17.9 12.9 -30.4 790 374 B I H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.911 109.4 51.3 -65.4 -43.1 -14.0 12.8 -30.8 791 375 B G H <>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-0.3 0.881 113.7 45.5 -60.3 -39.7 -14.1 9.7 -33.0 792 376 B M H ><5S+ 0 0 0 -4,-2.3 3,-1.3 3,-0.2 -211,-0.5 0.932 111.0 52.2 -68.5 -46.8 -16.7 11.4 -35.2 793 377 B A H 3<5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.855 114.4 42.7 -57.4 -36.4 -14.8 14.7 -35.3 794 378 B C T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.374 111.3-117.3 -97.0 5.0 -11.6 12.9 -36.4 795 379 B G T < 5 - 0 0 34 -3,-1.3 -3,-0.2 -4,-0.3 -24,-0.2 0.883 42.5-169.2 59.9 42.5 -13.2 10.6 -38.9 796 380 B A < - 0 0 7 -5,-2.8 -24,-0.2 -6,-0.2 3,-0.1 -0.197 27.8-126.5 -58.6 154.9 -12.3 7.4 -37.1 797 381 B R S S- 0 0 116 -26,-2.1 2,-0.3 1,-0.3 -25,-0.2 0.794 87.8 -4.2 -78.3 -30.4 -12.8 4.1 -38.9 798 382 B Q E - b 0 772L 0 -27,-1.3 -25,-2.8 -215,-0.1 2,-0.3 -0.973 62.0-152.1-155.8 155.7 -14.9 2.6 -36.0 799 383 B V E -ub 585 773L 2 -215,-2.6 -213,-3.3 -2,-0.3 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X S+ 0 0 31 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.903 113.2 49.0 -61.5 -45.2 -27.4 10.6 -34.4 820 404 B R H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.921 110.7 50.4 -59.7 -47.3 -28.1 13.6 -32.3 821 405 B V H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.935 109.8 50.3 -60.1 -45.2 -24.7 15.2 -33.0 822 406 B L H X S+ 0 0 46 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.879 108.8 53.6 -59.7 -38.4 -25.2 14.6 -36.8 823 407 B A H X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.929 112.0 43.4 -61.4 -45.3 -28.6 16.3 -36.5 824 408 B L H X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 115.0 49.0 -67.1 -43.0 -27.1 19.4 -34.8 825 409 B V H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.894 111.3 49.8 -62.1 -41.4 -24.2 19.6 -37.2 826 410 B G H X S+ 0 0 31 -4,-2.6 4,-0.9 -5,-0.2 -2,-0.2 0.872 110.2 50.8 -68.5 -37.7 -26.5 19.2 -40.2 827 411 B R H >X S+ 0 0 44 -4,-2.0 3,-1.0 -5,-0.2 4,-0.7 0.948 109.4 50.5 -59.6 -49.0 -28.7 22.0 -38.9 828 412 B R H >< S+ 0 0 65 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.919 105.7 55.9 -60.9 -45.0 -25.7 24.3 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