==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-DEC-01 1KKR . COMPND 2 MOLECULE: 3-METHYLASPARTATE AMMONIA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER AMALONATICUS; . AUTHOR C.W.LEVY,P.A.BUCKLEY,S.SEDELNIKOVA,K.KATO,Y.ASANO,D.W.RICE,P . 824 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 7.4 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 . 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 . 55 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.0 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 0 0 3 6 0 2 2 0 2 1 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 6 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 . 2 3 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 X 0 0 46 0, 0.0 105,-3.2 0, 0.0 106,-0.3 0.000 360.0 360.0 360.0 140.6 -58.7 -141.9 -84.7 2 2 A K B -A 105 0A 116 103,-0.3 58,-1.9 104,-0.1 2,-0.5 -0.758 360.0-107.4-103.1 160.8 -59.4 -144.6 -82.3 3 3 A I E -B 59 0B 2 101,-2.1 100,-3.3 98,-0.4 56,-0.3 -0.683 27.5-172.9 -78.8 122.2 -57.7 -147.3 -80.3 4 4 A K E + 0 0 129 54,-2.7 2,-0.3 -2,-0.5 55,-0.2 0.827 67.3 7.3 -85.0 -43.9 -58.5 -150.6 -81.8 5 5 A Q E -B 58 0B 48 53,-2.1 53,-2.6 96,-0.1 2,-0.5 -0.994 57.1-153.3-145.4 145.8 -56.8 -152.8 -79.2 6 6 A A E -B 57 0B 4 -2,-0.3 2,-0.4 51,-0.2 51,-0.2 -0.938 15.4-170.9-117.0 126.3 -55.2 -152.4 -75.8 7 7 A L E -B 56 0B 18 49,-3.0 49,-2.5 -2,-0.5 2,-0.4 -0.953 7.3-164.0-116.9 139.6 -52.5 -154.9 -74.6 8 8 A F E +B 55 0B 13 -2,-0.4 2,-0.4 47,-0.2 47,-0.2 -0.982 13.0 179.1-120.0 126.3 -50.9 -155.2 -71.1 9 9 A T E -B 54 0B 16 45,-1.9 45,-2.8 -2,-0.4 807,-0.1 -0.991 26.6-122.5-136.0 130.7 -47.7 -157.3 -70.7 10 10 A A E +B 53 0B 45 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.276 41.8 163.1 -66.0 150.2 -45.6 -157.9 -67.6 11 11 A G E -B 52 0B 7 41,-2.2 41,-2.0 804,-0.0 2,-0.4 -0.944 38.6 -96.4-158.2 177.3 -42.0 -156.9 -67.7 12 12 A Y E -B 51 0B 51 -2,-0.3 39,-0.3 39,-0.3 800,-0.1 -0.870 31.5-146.1-103.9 134.0 -38.8 -156.1 -65.8 13 13 A S E - 0 0 0 37,-1.5 37,-0.2 -2,-0.4 351,-0.2 -0.351 35.1 -95.4 -86.3 175.5 -37.9 -152.5 -65.0 14 14 A S E S+ 0 0 2 349,-2.5 375,-0.4 -2,-0.1 791,-0.2 0.227 97.8 11.6 -85.4 11.4 -34.3 -151.3 -64.9 15 15 A F E S- 0 0 13 347,-0.3 35,-2.0 789,-0.2 2,-0.3 -0.468 86.4 -69.9-151.9-135.0 -33.7 -151.7 -61.1 16 16 A Y E -B 49 0B 0 33,-0.2 2,-0.6 -2,-0.1 33,-0.2 -0.972 27.8-120.4-135.4 146.1 -35.1 -153.2 -57.9 17 17 A F E -B 48 0B 0 31,-2.4 31,-2.5 -2,-0.3 2,-0.4 -0.862 39.4-166.2 -77.2 124.5 -37.9 -152.6 -55.6 18 18 A D E -B 47 0B 2 55,-2.2 2,-1.5 -2,-0.6 29,-0.2 -0.919 24.7-128.4-116.3 139.3 -36.3 -151.9 -52.2 19 19 A D > - 0 0 0 27,-2.8 4,-2.1 -2,-0.4 5,-0.2 -0.670 24.8-169.9 -84.3 92.4 -37.9 -151.8 -48.8 20 20 A Q H > S+ 0 0 24 -2,-1.5 4,-2.1 1,-0.2 5,-0.2 0.817 80.0 54.9 -49.1 -39.2 -36.7 -148.5 -47.6 21 21 A Q H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.974 109.5 45.5 -67.9 -46.3 -37.9 -149.0 -44.0 22 22 A A H 4>S+ 0 0 6 1,-0.2 5,-1.8 2,-0.2 -1,-0.2 0.855 113.5 50.6 -64.2 -37.6 -36.0 -152.3 -43.5 23 23 A I H ><5S+ 0 0 36 -4,-2.1 3,-0.9 3,-0.2 -1,-0.2 0.870 110.5 47.8 -65.2 -40.9 -32.9 -150.8 -45.1 24 24 A K H 3<5S+ 0 0 117 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.837 103.0 62.4 -68.9 -39.2 -33.0 -147.7 -42.8 25 25 A N T 3<5S- 0 0 106 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.533 131.7 -97.1 -57.2 -17.4 -33.5 -149.9 -39.8 26 26 A G T < 5 - 0 0 58 -3,-0.9 -3,-0.2 -5,-0.2 -2,-0.2 0.654 51.2-171.8 110.6 23.3 -30.1 -151.3 -40.8 27 27 A A < - 0 0 27 -5,-1.8 -1,-0.2 1,-0.1 9,-0.1 -0.125 19.1-130.6 -44.9 134.0 -30.7 -154.4 -42.8 28 28 A G - 0 0 32 7,-0.1 7,-3.3 1,-0.1 2,-0.3 -0.254 17.8-127.4 -80.2 171.5 -27.5 -156.2 -43.6 29 29 A H E -D 34 0C 145 5,-0.3 2,-0.3 -2,-0.1 5,-0.2 -0.835 19.3-170.1-123.5 160.1 -26.3 -157.5 -46.9 30 30 A D E > S-D 33 0C 81 3,-2.5 3,-1.8 -2,-0.3 2,-0.2 -0.842 77.7 -52.4-143.9 100.0 -25.1 -160.7 -48.5 31 31 A G T 3 S- 0 0 36 -2,-0.3 -1,-0.1 1,-0.3 560,-0.1 -0.444 122.3 -20.3 63.0-121.9 -23.7 -159.8 -52.0 32 32 A F T 3 S+ 0 0 27 -2,-0.2 -1,-0.3 558,-0.2 2,-0.2 0.574 122.5 92.4 -91.1 -11.0 -26.5 -157.8 -53.7 33 33 A I E < S-D 30 0C 25 -3,-1.8 -3,-2.5 13,-0.0 2,-0.4 -0.561 70.3-134.9 -87.3 148.1 -29.2 -159.1 -51.5 34 34 A Y E -D 29 0C 56 -5,-0.2 12,-0.5 -2,-0.2 13,-0.4 -0.838 23.9-140.6 -98.7 139.3 -30.4 -157.5 -48.2 35 35 A T + 0 0 62 -7,-3.3 -7,-0.1 -2,-0.4 2,-0.1 -0.511 54.6 40.4 -94.3 167.8 -30.9 -159.8 -45.2 36 36 A G S S- 0 0 59 -2,-0.2 10,-0.3 -9,-0.1 -2,-0.1 -0.380 94.8 -46.8 91.2-173.4 -33.5 -160.0 -42.5 37 37 A D - 0 0 140 -2,-0.1 2,-0.1 8,-0.1 8,-0.1 -0.767 50.8-119.6 -96.1 148.7 -37.2 -159.6 -42.9 38 38 A P - 0 0 36 0, 0.0 8,-0.1 0, 0.0 4,-0.1 -0.442 17.2-167.9 -71.7 155.0 -39.0 -156.9 -44.8 39 39 A V + 0 0 87 -2,-0.1 7,-0.0 2,-0.1 -2,-0.0 0.568 60.1 91.4-117.5 -19.5 -41.3 -154.7 -42.8 40 40 A T S > S- 0 0 26 1,-0.1 3,-1.3 6,-0.0 37,-0.0 -0.551 86.6-100.6 -79.5 141.9 -43.1 -153.0 -45.7 41 41 A P T 3 S+ 0 0 111 0, 0.0 42,-0.2 0, 0.0 -1,-0.1 -0.244 100.8 19.8 -68.7 144.2 -46.3 -154.7 -47.0 42 42 A G T 3 S+ 0 0 50 1,-0.3 2,-0.3 40,-0.1 -2,-0.0 0.091 90.0 126.2 90.3 -19.0 -46.2 -156.8 -50.1 43 43 A F < - 0 0 17 -3,-1.3 -1,-0.3 1,-0.2 3,-0.1 -0.509 38.7-173.5 -80.2 134.1 -42.5 -157.3 -50.0 44 44 A T S S+ 0 0 114 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.713 78.9 11.1 -93.7 -21.5 -41.2 -160.9 -50.2 45 45 A S S S- 0 0 50 -8,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.926 82.1-105.8-143.3 168.1 -37.6 -159.8 -49.6 46 46 A V S S+ 0 0 1 -12,-0.5 -27,-2.8 -10,-0.3 2,-0.4 0.919 115.8 29.4 -62.5 -37.1 -35.9 -156.6 -48.5 47 47 A R E S+B 18 0B 23 -13,-0.4 2,-0.3 -29,-0.2 -1,-0.2 -0.990 77.0 168.8-125.4 129.6 -34.8 -156.3 -52.2 48 48 A Q E -B 17 0B 21 -31,-2.5 -31,-2.4 -2,-0.4 551,-0.1 -0.932 42.9 -78.3-134.8 161.1 -36.8 -157.7 -55.1 49 49 A A E -B 16 0B 9 549,-0.3 -33,-0.2 -2,-0.3 2,-0.2 -0.268 48.1-116.5 -59.5 138.2 -36.8 -157.4 -58.9 50 50 A G E - 0 0 0 -35,-2.0 -37,-1.5 -37,-0.2 2,-0.3 -0.541 36.8-164.5 -74.9 140.6 -38.3 -154.2 -60.3 51 51 A E E +B 12 0B 45 -39,-0.3 20,-0.5 33,-0.3 2,-0.3 -0.898 13.6 179.2-125.5 158.4 -41.3 -154.8 -62.4 52 52 A C E -B 11 0B 0 -41,-2.0 -41,-2.2 -2,-0.3 2,-0.5 -0.912 23.7-131.2-144.3 168.5 -43.4 -152.8 -65.0 53 53 A V E -BC 10 69B 0 16,-1.6 16,-3.2 -2,-0.3 2,-0.3 -0.988 21.4-144.2-127.5 117.4 -46.4 -153.3 -67.2 54 54 A S E -BC 9 68B 1 -45,-2.8 -45,-1.9 -2,-0.5 2,-0.5 -0.630 10.9-154.0 -77.9 135.9 -46.0 -152.3 -70.8 55 55 A V E -BC 8 67B 0 12,-3.7 12,-1.7 -2,-0.3 2,-0.4 -0.957 11.1-173.7-112.7 126.3 -49.2 -150.8 -72.4 56 56 A Q E -BC 7 66B 6 -49,-2.5 -49,-3.0 -2,-0.5 2,-0.6 -0.992 5.5-167.6-121.8 133.4 -49.5 -151.1 -76.1 57 57 A L E -BC 6 65B 1 8,-2.2 8,-2.8 -2,-0.4 2,-0.5 -0.960 8.3-156.0-123.2 110.2 -52.4 -149.4 -78.0 58 58 A I E -BC 5 64B 19 -53,-2.6 -54,-2.7 -2,-0.6 -53,-2.1 -0.824 18.8-151.9 -87.5 125.6 -52.9 -150.5 -81.5 59 59 A L E > -B 3 0B 1 4,-2.5 3,-1.9 -2,-0.5 -56,-0.2 -0.407 27.9-100.9 -96.0 167.7 -54.6 -147.7 -83.4 60 60 A E T 3 S+ 0 0 67 -58,-1.9 -57,-0.1 1,-0.3 -1,-0.1 0.782 121.8 56.0 -62.8 -32.0 -56.9 -147.8 -86.4 61 61 A N T 3 S- 0 0 90 -59,-0.2 -1,-0.3 2,-0.1 498,-0.1 0.326 121.7-106.7 -81.9 10.9 -54.1 -146.8 -88.8 62 62 A G S < S+ 0 0 36 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.0 0.389 74.6 136.7 85.0 -10.2 -52.0 -149.8 -87.5 63 63 A A - 0 0 24 81,-0.1 -4,-2.5 -5,-0.1 2,-0.5 -0.334 46.9-138.3 -68.1 159.8 -49.5 -147.8 -85.4 64 64 A V E -C 58 0B 41 -6,-0.2 2,-0.2 76,-0.0 -6,-0.2 -0.943 13.7-160.4-124.8 109.5 -48.6 -149.1 -82.0 65 65 A A E -C 57 0B 0 -8,-2.8 -8,-2.2 -2,-0.5 2,-0.4 -0.612 13.0-155.6 -88.7 148.0 -48.3 -146.6 -79.2 66 66 A V E +C 56 0B 19 -2,-0.2 2,-0.3 -10,-0.2 74,-0.2 -0.966 22.2 157.3-134.3 149.8 -46.4 -147.5 -76.1 67 67 A G E -C 55 0B 0 -12,-1.7 -12,-3.7 -2,-0.4 2,-0.5 -0.963 26.2-133.5-157.7 151.2 -46.0 -146.7 -72.4 68 68 A D E -C 54 0B 0 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.954 8.0-142.7-118.0 125.0 -44.7 -148.3 -69.3 69 69 A C E +C 53 0B 0 -16,-3.2 -16,-1.6 -2,-0.5 2,-0.3 -0.661 42.0 155.6 -74.7 121.6 -46.3 -148.6 -66.0 70 70 A A - 0 0 0 59,-0.6 2,-0.3 -2,-0.5 62,-0.1 -0.990 28.4-151.1-151.1 152.4 -43.5 -148.2 -63.4 71 71 A A - 0 0 7 -20,-0.5 4,-0.1 291,-0.4 -20,-0.1 -0.846 32.7 -88.3-124.6 155.5 -42.8 -147.2 -59.8 72 72 A V > - 0 0 3 -2,-0.3 3,-0.6 2,-0.2 -1,-0.1 -0.170 44.2-102.4 -54.7 157.4 -39.9 -145.7 -57.9 73 73 A Q T 3 S+ 0 0 13 1,-0.3 -55,-2.2 -56,-0.1 2,-1.6 0.918 123.1 52.3 -48.9 -49.0 -37.2 -147.9 -56.3 74 74 A Y T 3 S- 0 0 29 -57,-0.2 -1,-0.3 -55,-0.1 2,-0.2 -0.363 81.8-178.4 -89.0 63.0 -38.8 -147.4 -52.9 75 75 A S < + 0 0 1 -2,-1.6 8,-0.2 -3,-0.6 -55,-0.1 -0.486 67.2 37.8 -69.9 123.6 -42.3 -148.4 -54.1 76 76 A G S S+ 0 0 25 5,-2.1 2,-0.2 6,-0.4 -1,-0.2 0.869 101.2 80.0 99.7 55.9 -44.5 -148.0 -50.9 77 77 A A > + 0 0 25 3,-0.4 3,-1.0 4,-0.3 -1,-0.2 -0.890 62.9 29.8 172.0 143.4 -43.2 -144.8 -49.0 78 78 A G T 3 S- 0 0 26 1,-0.2 231,-0.4 -2,-0.2 233,-0.1 0.651 132.3 -45.4 73.6 12.7 -42.8 -141.0 -48.3 79 79 A G T 3 S+ 0 0 67 1,-0.4 -1,-0.2 229,-0.1 2,-0.2 0.362 111.8 131.2 102.2 -0.6 -46.3 -140.5 -49.7 80 80 A R < - 0 0 22 -3,-1.0 -3,-0.4 -6,-0.1 -1,-0.4 -0.592 62.1-100.6 -81.0 147.1 -45.6 -142.7 -52.8 81 81 A D - 0 0 61 -2,-0.2 -5,-2.1 -5,-0.2 -4,-0.3 -0.141 50.6 -75.9 -65.6 168.8 -48.1 -145.5 -53.7 82 82 A P - 0 0 68 0, 0.0 2,-0.8 0, 0.0 -6,-0.4 0.567 63.3 -49.8 -59.3-169.7 -47.7 -149.2 -52.9 83 83 A L - 0 0 22 -42,-0.2 2,-1.6 -8,-0.2 -7,-0.1 -0.616 53.2-144.6 -79.1 105.1 -45.7 -152.3 -54.1 84 84 A F + 0 0 0 -2,-0.8 2,-0.5 -3,-0.2 -33,-0.3 -0.468 25.2 174.1 -82.1 84.2 -46.1 -152.5 -57.8 85 85 A L > - 0 0 48 -2,-1.6 4,-0.7 1,-0.1 3,-0.1 -0.763 16.5-157.9 -94.7 126.6 -46.3 -156.1 -58.7 86 86 A A H > S+ 0 0 0 -2,-0.5 4,-1.2 1,-0.2 3,-0.5 0.837 79.2 61.3 -81.9 -36.7 -47.1 -156.7 -62.3 87 87 A E H >4 S+ 0 0 71 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.898 105.2 50.9 -57.5 -46.6 -48.5 -160.1 -62.7 88 88 A H H 3> S+ 0 0 115 1,-0.2 4,-0.9 2,-0.1 -1,-0.3 0.802 107.4 55.8 -56.9 -36.1 -51.3 -159.2 -60.4 89 89 A F H 3X S+ 0 0 17 -4,-0.7 4,-2.6 -3,-0.5 5,-0.3 0.710 89.6 73.8 -75.0 -22.9 -52.1 -156.1 -62.5 90 90 A I H S+ 0 0 80 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.958 116.5 51.6 -59.5 -48.1 -55.9 -159.4 -65.1 92 92 A F H X S+ 0 0 59 -4,-0.9 4,-2.4 1,-0.2 5,-0.4 0.885 113.4 43.1 -51.7 -48.6 -57.1 -156.3 -63.4 93 93 A L H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-1.7 0.869 112.9 52.6 -68.8 -37.3 -56.1 -154.0 -66.3 94 94 A N H <5S+ 0 0 63 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.889 116.5 40.9 -63.8 -36.6 -57.5 -156.4 -68.9 95 95 A D H <5S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.974 129.9 20.0 -80.6 -49.1 -60.8 -156.5 -67.0 96 96 A H H <5S+ 0 0 58 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.748 130.1 34.7 -95.9 -23.8 -61.4 -152.9 -66.0 97 97 A I T >X5S+ 0 0 0 -4,-1.7 3,-1.4 -5,-0.4 4,-0.7 0.840 100.7 67.7-103.5 -39.7 -59.2 -150.7 -68.3 98 98 A K H >> S+ 0 0 1 -2,-0.3 4,-2.1 44,-0.1 5,-0.2 0.859 77.3 61.9-100.2 -45.8 -54.1 -136.3 -75.3 110 110 A L H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.848 98.3 51.1 -65.2 -46.2 -55.3 -134.2 -72.4 111 111 A P H > S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.955 115.1 46.9 -57.7 -41.8 -58.9 -135.1 -71.9 112 112 A N H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.937 111.8 50.7 -61.7 -42.2 -57.9 -138.8 -72.0 113 113 A A H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.914 110.4 49.5 -64.2 -39.4 -55.1 -138.2 -69.6 114 114 A R H X S+ 0 0 117 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.913 107.3 55.0 -67.0 -44.1 -57.4 -136.4 -67.2 115 115 A F H >X S+ 0 0 76 -4,-2.4 4,-1.1 -5,-0.2 3,-0.7 0.947 112.8 40.2 -52.6 -55.1 -60.0 -139.2 -67.3 116 116 A F H 3< S+ 0 0 4 -4,-2.0 10,-0.3 1,-0.2 -1,-0.2 0.808 109.6 61.2 -69.1 -25.1 -57.5 -141.9 -66.3 117 117 A D H 3< S+ 0 0 20 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.782 113.6 34.1 -73.4 -26.9 -55.9 -139.7 -63.8 118 118 A K H << S+ 0 0 132 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.486 89.0 125.3 -99.4 -14.2 -59.2 -139.3 -61.8 119 119 A L < - 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0 0 132 -3,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.730 69.7 -73.0 44.2 32.1 -29.3 -131.4 -34.4 249 249 A X T 3 - 0 0 61 -3,-3.4 4,-2.1 -6,-0.3 -1,-0.2 -0.824 37.7-155.4 -93.2 110.4 -30.7 -126.8 -36.8 251 251 A P H > S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.803 90.3 57.1 -62.2 -24.2 -31.2 -125.2 -40.3 252 252 A V H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 110.1 42.9 -71.8 -43.0 -28.6 -122.5 -39.5 253 253 A R H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 112.2 54.1 -70.6 -32.9 -25.9 -124.9 -38.8 254 254 A C H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.961 109.9 48.1 -63.1 -48.7 -27.0 -127.0 -41.8 255 255 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.916 108.5 55.2 -55.8 -43.1 -26.6 -123.9 -44.0 256 256 A E H X S+ 0 0 127 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.928 110.2 43.4 -61.3 -44.1 -23.3 -123.1 -42.6 257 257 A Y H < S+ 0 0 7 -4,-2.2 4,-0.5 2,-0.2 3,-0.3 0.936 112.0 54.5 -66.6 -46.1 -21.9 -126.5 -43.4 258 258 A I H >X S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.2 4,-0.5 0.954 107.5 49.9 -50.4 -50.0 -23.4 -126.5 -46.8 259 259 A A H >< S+ 0 0 22 -4,-2.9 3,-1.1 1,-0.3 4,-0.4 0.828 101.7 63.1 -60.4 -30.2 -21.8 -123.1 -47.7 260 260 A S T 3< S+ 0 0 40 -4,-1.3 4,-0.3 -3,-0.3 -1,-0.3 0.594 93.3 65.2 -73.3 -11.9 -18.5 -124.4 -46.6 261 261 A L T X> S+ 0 0 0 -3,-2.2 3,-1.2 -4,-0.5 4,-0.6 0.734 79.3 80.1 -81.5 -25.9 -18.7 -126.9 -49.3 262 262 A E G X< S+ 0 0 89 -3,-1.1 3,-1.9 -4,-0.5 4,-0.5 0.903 86.5 58.5 -49.2 -44.6 -18.5 -124.4 -52.1 263 263 A K G >4 S+ 0 0 71 -4,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.839 100.2 56.7 -55.9 -35.8 -14.7 -124.0 -51.9 264 264 A E G <4 S+ 0 0 31 -3,-1.2 -45,-0.3 -4,-0.3 -1,-0.3 0.627 94.8 66.3 -75.6 -13.7 -14.2 -127.6 -52.5 265 265 A A G X< S- 0 0 0 -3,-1.9 3,-1.6 -4,-0.6 -1,-0.3 0.548 94.0-142.9 -81.3 -15.9 -16.1 -127.4 -55.8 266 266 A Q T < S- 0 0 65 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.902 72.8 -37.3 53.9 52.7 -13.3 -125.1 -57.3 267 267 A G T 3 S+ 0 0 62 -5,-0.4 -1,-0.3 1,-0.3 -4,-0.1 0.311 108.0 124.4 85.9 -12.5 -15.6 -122.9 -59.3 268 268 A L S < S- 0 0 6 -3,-1.6 -1,-0.3 -6,-0.2 -34,-0.1 -0.683 70.7-111.2 -81.1 128.6 -18.0 -125.6 -60.3 269 269 A P - 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0 0 25 -5,-3.4 -1,-0.2 -6,-0.2 -41,-0.1 -0.514 35.0-159.4 -75.0 144.3 -23.5 -118.6 -50.5 301 301 A G + 0 0 44 -2,-0.2 -31,-0.3 -42,-0.2 2,-0.2 0.401 61.7 107.8 -91.7 -3.9 -23.6 -119.6 -54.0 302 302 A V - 0 0 3 -7,-0.1 2,-0.3 -33,-0.1 -31,-0.2 -0.543 57.1-152.0 -79.1 138.5 -24.5 -123.2 -53.1 303 303 A K E -j 271 0E 68 -33,-2.5 -31,-2.8 -2,-0.2 2,-0.4 -0.800 0.6-140.7-111.7 159.0 -28.1 -124.2 -53.9 304 304 A I E -j 272 0E 0 -2,-0.3 23,-1.3 -33,-0.2 22,-1.1 -0.917 6.9-151.4-121.7 150.5 -30.4 -126.7 -52.4 305 305 A V E -jk 273 327E 0 -33,-2.3 -31,-2.9 -2,-0.4 23,-0.2 -0.958 8.0-141.9-122.3 125.3 -32.9 -129.1 -53.9 306 306 A A E + k 0 328E 0 21,-2.2 23,-2.5 -2,-0.4 3,-0.1 -0.491 37.6 140.1 -74.7 146.8 -36.2 -130.6 -52.5 307 307 A D > + 0 0 1 1,-0.5 3,-2.3 21,-0.2 -1,-0.1 0.137 48.2 68.8-145.4 -74.1 -37.1 -134.2 -53.1 308 308 A E T 3 S+ 0 0 16 1,-0.3 -1,-0.5 3,-0.0 -230,-0.1 -0.304 112.0 17.6 -56.9 134.7 -38.7 -136.2 -50.3 309 309 A W T 3 S+ 0 0 59 -231,-0.4 2,-0.7 -3,-0.1 -1,-0.3 0.243 103.9 97.0 83.5 -3.2 -42.2 -134.9 -49.4 310 310 A C < + 0 0 1 -3,-2.3 21,-0.4 1,-0.2 -1,-0.1 -0.724 47.1 127.4-112.7 77.5 -42.4 -133.1 -52.7 311 311 A N + 0 0 10 -2,-0.7 -1,-0.2 19,-0.1 2,-0.1 0.889 49.3 45.8-105.9 -54.0 -44.3 -135.7 -54.7 312 312 A T S > S- 0 0 60 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.434 86.6 -99.2 -92.0 171.8 -47.4 -134.6 -56.6 313 313 A Y H > S+ 0 0 68 1,-0.2 4,-2.7 22,-0.2 3,-0.2 0.945 125.5 50.3 -53.9 -46.6 -48.2 -131.6 -58.7 314 314 A Q H > S+ 0 0 102 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.873 107.6 52.2 -66.2 -36.3 -49.8 -129.9 -55.7 315 315 A D H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.927 108.2 51.7 -63.6 -38.6 -46.8 -130.6 -53.5 316 316 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.937 108.7 51.4 -66.2 -42.1 -44.6 -129.0 -56.2 317 317 A V H X S+ 0 0 8 -4,-2.7 4,-3.4 1,-0.2 -1,-0.2 0.940 110.9 49.4 -53.4 -44.3 -46.9 -126.0 -56.1 318 318 A D H X S+ 0 0 43 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.915 110.6 46.3 -68.5 -43.8 -46.6 -125.8 -52.3 319 319 A F H <>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 4,-0.3 0.883 117.0 47.1 -66.6 -34.6 -42.9 -126.0 -52.1 320 320 A T H ><5S+ 0 0 13 -4,-2.1 3,-1.8 -5,-0.3 -2,-0.2 0.935 107.5 53.1 -69.1 -52.0 -42.6 -123.4 -54.8 321 321 A D H 3<5S+ 0 0 96 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 107.7 54.4 -53.4 -30.0 -45.2 -121.0 -53.4 322 322 A A T 3<5S- 0 0 50 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.490 104.2-127.6 -83.8 -8.7 -43.2 -121.0 -50.1 323 323 A G T < 5 + 0 0 46 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.805 54.0 156.3 65.7 35.2 -39.9 -120.0 -51.7 324 324 A S < - 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