==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-AUG-99 1CQI . COMPND 2 MOLECULE: PROTEIN (SUCCINYL-COA SYNTHETASE ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.A.JOYCE,M.E.FRASER,M.N.G.JAMES,W.A.BRIDGER,W.T.WOLODKO . 1342 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1027 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 4 0.3 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 . 121 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 160 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.9 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 2 2 6 0 4 8 6 6 6 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 4 5 5 4 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 . 5 4 7 4 7 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 0 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 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 S 0 0 30 0, 0.0 2,-0.3 0, 0.0 198,-0.1 0.000 360.0 360.0 360.0 125.2 49.5 82.1 63.1 2 2 A I + 0 0 12 2,-0.1 2,-3.2 195,-0.1 172,-0.1 -0.823 360.0 8.7-130.8 169.0 49.7 78.5 61.8 3 3 A L S S+ 0 0 36 -2,-0.3 2,-0.3 170,-0.1 125,-0.0 -0.241 118.7 19.8 60.0 -62.7 47.7 76.2 59.4 4 4 A I + 0 0 2 -2,-3.2 2,-0.3 128,-0.1 128,-0.2 -0.835 56.6 169.0-135.0 172.6 45.3 78.8 58.1 5 5 A D > - 0 0 60 -2,-0.3 3,-3.5 126,-0.1 128,-0.1 -0.963 58.5 -69.3-169.1 166.5 44.6 82.6 57.6 6 6 A K T 3 S+ 0 0 120 1,-0.3 27,-0.0 -2,-0.3 124,-0.0 0.625 128.4 57.0 -40.2 -18.9 42.3 85.1 55.9 7 7 A N T 3 S+ 0 0 112 2,-0.1 2,-0.6 25,-0.0 -1,-0.3 0.390 78.0 108.0 -98.1 3.1 43.9 84.0 52.6 8 8 A T < - 0 0 19 -3,-3.5 25,-0.5 57,-0.0 2,-0.4 -0.708 59.6-148.0 -82.7 118.8 43.1 80.2 52.9 9 9 A K - 0 0 96 -2,-0.6 57,-1.6 55,-0.2 58,-1.1 -0.765 18.8-163.8 -91.8 135.2 40.4 79.2 50.4 10 10 A V E -ab 34 67A 1 23,-2.0 25,-2.7 -2,-0.4 26,-0.7 -0.913 18.3-171.4-125.5 142.0 38.1 76.3 51.6 11 11 A I E -ab 36 68A 0 56,-2.0 58,-1.7 -2,-0.4 2,-0.5 -0.926 19.7-141.1-121.5 152.1 35.6 73.8 50.2 12 12 A C E > -ab 37 69A 0 24,-1.2 26,-2.4 -2,-0.4 3,-0.6 -0.967 3.8-144.6-123.0 131.0 33.4 71.6 52.3 13 13 A Q E 3 S+ab 38 70A 7 56,-2.3 58,-2.5 -2,-0.5 26,-0.2 -0.796 90.9 27.1 -94.9 126.8 32.5 68.0 51.6 14 14 A G T > S+ 0 0 16 24,-2.7 3,-0.9 -2,-0.5 -1,-0.3 0.818 82.0 158.4 85.9 40.4 29.0 66.9 52.5 15 15 A F T < + 0 0 0 23,-0.9 9,-0.1 -3,-0.6 24,-0.1 0.753 59.1 56.0 -70.6 -30.4 28.1 70.5 52.1 16 16 A T T 3 S+ 0 0 31 22,-0.2 -1,-0.2 4,-0.1 23,-0.1 0.406 89.4 98.4 -87.7 4.9 24.4 70.1 51.6 17 17 A G S <> S- 0 0 25 -3,-0.9 4,-3.2 54,-0.1 5,-0.2 -0.281 85.9 -97.7 -87.6 175.6 23.7 68.2 54.8 18 18 A S H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.984 122.4 30.4 -52.8 -75.3 22.4 69.3 58.2 19 19 A Q H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.865 119.1 59.0 -56.9 -34.9 25.7 69.7 60.1 20 20 A G H > S+ 0 0 3 51,-0.2 4,-1.2 -6,-0.2 -1,-0.2 0.952 111.6 38.9 -58.6 -50.2 27.3 70.7 56.9 21 21 A T H >X S+ 0 0 31 -4,-3.2 4,-2.8 -3,-0.2 3,-1.0 0.989 115.0 50.5 -61.9 -64.2 25.0 73.6 56.3 22 22 A F H 3X S+ 0 0 76 -4,-2.1 4,-0.8 1,-0.3 -1,-0.2 0.849 115.9 42.1 -42.0 -49.9 24.7 74.9 59.9 23 23 A H H 3X S+ 0 0 19 -4,-2.2 4,-1.4 -5,-0.3 112,-0.3 0.710 113.0 51.1 -77.8 -21.1 28.5 74.9 60.4 24 24 A S H S+ 0 0 4 -4,-1.4 5,-3.0 1,-0.3 4,-0.5 0.822 110.1 56.1 -60.8 -28.7 32.3 80.1 58.9 28 28 A I H <5S+ 0 0 66 -4,-2.8 -1,-0.3 3,-0.2 -2,-0.2 0.845 110.0 43.5 -71.6 -33.5 30.7 82.2 56.2 29 29 A A H <5S+ 0 0 85 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.822 106.9 57.6 -80.7 -32.3 29.6 84.8 58.7 30 30 A Y T <5S- 0 0 60 -4,-2.7 -1,-0.2 103,-0.1 -2,-0.2 0.678 123.2-110.1 -71.0 -11.2 32.9 84.9 60.6 31 31 A G T 5 + 0 0 48 -4,-0.5 -3,-0.2 -5,-0.3 2,-0.2 0.774 58.9 162.6 91.7 30.1 34.3 85.7 57.2 32 32 A T < - 0 0 9 -5,-3.0 2,-2.0 101,-0.2 -1,-0.2 -0.518 50.6-109.1 -77.8 145.6 36.2 82.5 56.3 33 33 A K + 0 0 88 -25,-0.5 -23,-2.0 -2,-0.2 2,-0.4 -0.314 48.6 170.4 -79.4 61.8 36.9 82.2 52.6 34 34 A M E +a 10 0A 22 -2,-2.0 -23,-0.2 -25,-0.2 3,-0.1 -0.573 8.7 179.8 -70.0 127.0 34.5 79.4 51.8 35 35 A V E - 0 0 32 -25,-2.7 2,-0.2 1,-0.4 -24,-0.2 0.407 53.6 -51.6-111.7 -0.4 34.5 79.1 48.0 36 36 A G E -a 11 0A 1 -26,-0.7 -24,-1.2 14,-0.2 -1,-0.4 -0.757 50.9-112.4 147.6 169.0 32.0 76.2 47.5 37 37 A G E -ac 12 52A 0 14,-1.5 16,-2.8 -26,-0.3 2,-0.4 -0.797 14.0-125.0-130.5 173.6 31.1 72.6 48.5 38 38 A V E +ac 13 53A 6 -26,-2.4 -24,-2.7 -2,-0.2 -23,-0.9 -0.976 28.0 156.1-127.6 131.1 30.8 69.0 47.2 39 39 A T > - 0 0 18 14,-2.3 3,-2.1 -2,-0.4 4,-0.2 -0.805 42.3-119.4-151.3 105.0 27.9 66.5 47.2 40 40 A P T 3 S+ 0 0 105 0, 0.0 14,-0.1 0, 0.0 15,-0.1 -0.086 98.0 17.7 -48.4 125.0 27.8 63.6 44.7 41 41 A G T 3 S+ 0 0 71 0, 0.0 13,-0.1 0, 0.0 12,-0.0 0.427 112.1 74.8 94.9 -1.5 24.7 63.8 42.6 42 42 A K < + 0 0 110 -3,-2.1 3,-0.4 11,-0.2 10,-0.1 0.187 60.0 138.7-125.0 13.5 23.9 67.5 43.2 43 43 A G + 0 0 25 1,-0.2 10,-0.3 -4,-0.2 3,-0.1 -0.272 55.5 45.2 -62.4 145.1 26.6 69.2 41.1 44 44 A G S S+ 0 0 75 8,-2.6 2,-0.3 1,-0.4 -1,-0.2 0.712 93.4 94.2 97.0 21.7 25.6 72.2 39.2 45 45 A T E -D 52 0A 73 7,-0.8 7,-3.0 -3,-0.4 -1,-0.4 -0.785 67.6-118.2-133.7 178.8 23.6 74.0 41.9 46 46 A T E +D 51 0A 108 -2,-0.3 -10,-0.0 5,-0.2 -3,-0.0 -0.933 24.2 175.7-123.2 144.7 24.1 76.7 44.5 47 47 A H S S+ 0 0 61 3,-2.2 2,-0.2 -2,-0.4 -1,-0.1 0.724 77.8 5.9-113.8 -79.1 23.8 76.3 48.2 48 48 A L S S- 0 0 44 2,-0.0 -12,-0.0 3,-0.0 -1,-0.0 -0.343 127.2 -69.7-102.5 51.5 24.7 79.1 50.6 49 49 A G S S+ 0 0 68 1,-0.3 -3,-0.0 -2,-0.2 -1,-0.0 0.412 116.8 106.6 80.0 -7.2 25.2 81.3 47.6 50 50 A L S S- 0 0 32 1,-0.1 -3,-2.2 0, 0.0 2,-0.3 -0.575 77.6 -95.4 -99.6 167.4 28.3 79.2 46.8 51 51 A P E - D 0 46A 46 0, 0.0 -14,-1.5 0, 0.0 2,-0.5 -0.658 30.0-146.9 -87.8 137.2 28.7 76.6 44.0 52 52 A V E -cD 37 45A 1 -7,-3.0 -8,-2.6 -2,-0.3 -7,-0.8 -0.861 15.6-163.7-105.7 130.8 28.2 72.8 44.5 53 53 A F E -c 38 0A 33 -16,-2.8 -14,-2.3 -2,-0.5 -11,-0.2 -0.697 27.0-135.5-113.6 164.1 30.1 70.2 42.6 54 54 A N S S+ 0 0 62 -2,-0.2 2,-0.3 -16,-0.2 -1,-0.1 0.912 89.3 28.0 -79.1 -45.4 29.9 66.5 41.9 55 55 A T S > S- 0 0 58 -16,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.832 73.1-122.8-120.0 160.0 33.6 65.7 42.6 56 56 A V H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.804 114.7 53.1 -66.8 -22.2 36.4 67.0 44.7 57 57 A R H > S+ 0 0 146 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.926 101.6 54.9 -77.4 -45.7 38.4 67.5 41.5 58 58 A E H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 113.7 47.6 -53.7 -34.2 35.8 69.5 39.6 59 59 A A H X>S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 5,-0.6 0.978 106.5 51.1 -70.3 -59.0 36.0 71.7 42.7 60 60 A V H <5S+ 0 0 31 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.657 114.7 48.3 -55.8 -16.4 39.7 72.1 43.1 61 61 A A H <5S+ 0 0 80 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.914 113.3 41.7 -84.2 -72.6 39.8 73.1 39.4 62 62 A A H <5S+ 0 0 76 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.533 132.5 23.0 -50.4 -14.9 37.0 75.6 39.2 63 63 A T T <5S- 0 0 33 -4,-1.9 -1,-0.2 -5,-0.1 -3,-0.2 0.620 84.9-135.9-126.6 -25.2 38.0 77.3 42.5 64 64 A G < + 0 0 36 -5,-0.6 -55,-0.2 -4,-0.4 -4,-0.2 0.783 43.0 167.7 70.7 25.9 41.7 76.6 43.2 65 65 A A - 0 0 2 -6,-0.2 -55,-0.2 1,-0.1 -1,-0.2 -0.285 23.9-166.4 -67.3 151.1 40.8 75.8 46.9 66 66 A T + 0 0 75 -57,-1.6 24,-1.8 1,-0.2 25,-1.1 0.481 63.6 52.8-124.7 1.3 43.5 74.2 49.0 67 67 A A E -be 10 91A 1 -58,-1.1 -56,-2.0 23,-0.2 2,-0.4 -0.984 58.7-164.3-138.3 145.9 41.8 73.0 52.1 68 68 A S E -be 11 92A 1 23,-2.8 25,-3.2 -2,-0.4 2,-0.4 -0.991 6.9-155.5-134.6 140.1 38.7 70.9 52.6 69 69 A V E -be 12 93A 2 -58,-1.7 -56,-2.3 -2,-0.4 2,-0.5 -0.951 19.1-143.6-112.7 130.7 36.6 70.4 55.7 70 70 A I E +be 13 94A 0 23,-3.8 25,-2.3 -2,-0.4 26,-0.8 -0.881 29.8 166.8-109.5 126.2 34.6 67.1 55.9 71 71 A Y + 0 0 28 -58,-2.5 -51,-0.2 -2,-0.5 -54,-0.1 -0.516 37.7 136.0-122.9 55.3 31.1 66.6 57.4 72 72 A V - 0 0 24 -52,-0.0 5,-0.1 1,-0.0 24,-0.1 -0.929 60.1 -99.0-116.6 138.0 30.5 63.2 56.0 73 73 A P >> - 0 0 52 0, 0.0 3,-2.3 0, 0.0 4,-0.8 -0.068 37.9-110.1 -45.6 138.9 28.9 60.1 57.9 74 74 A A H >> S+ 0 0 13 23,-0.4 3,-1.3 1,-0.3 4,-0.7 0.835 111.4 63.8 -40.2 -54.3 31.4 57.6 59.2 75 75 A P H 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.677 117.6 28.0 -48.9 -21.1 30.5 54.8 56.8 76 76 A F H <> S+ 0 0 100 -3,-2.3 4,-1.2 2,-0.1 -2,-0.2 0.386 93.2 97.2-123.9 0.2 31.7 56.9 53.9 77 77 A C H XX S+ 0 0 0 -3,-1.3 4,-3.0 -4,-0.8 3,-0.9 0.921 80.7 53.8 -56.8 -52.3 34.3 59.0 55.5 78 78 A K H 3X S+ 0 0 77 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.876 105.8 56.9 -51.7 -39.2 37.3 57.0 54.5 79 79 A D H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.819 114.0 36.4 -65.3 -32.1 36.2 57.1 50.9 80 80 A S H < S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 5,-0.4 0.985 105.9 49.9 -56.2 -66.1 40.3 64.6 48.7 85 85 A I H >< S+ 0 0 15 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.798 108.2 54.6 -37.9 -45.1 44.0 63.5 48.8 86 86 A D H 3< S+ 0 0 110 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.820 104.6 51.3 -65.3 -34.5 43.7 62.2 45.1 87 87 A A T << S- 0 0 15 -3,-2.0 -1,-0.3 -4,-1.6 -2,-0.2 0.280 122.3-111.6 -84.8 11.7 42.4 65.6 43.8 88 88 A G < + 0 0 34 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.956 54.5 166.4 59.7 59.7 45.5 67.1 45.6 89 89 A I - 0 0 0 -5,-0.4 -1,-0.2 1,-0.1 -22,-0.2 -0.757 22.7-156.4 -94.6 150.6 44.0 69.1 48.5 90 90 A K S S+ 0 0 134 -24,-1.8 27,-1.2 -2,-0.3 2,-0.4 0.562 71.9 43.1-111.1 -7.5 46.7 70.0 50.9 91 91 A L E -ef 67 117A 17 -25,-1.1 -23,-2.8 25,-0.1 2,-0.5 -0.947 65.0-173.1-139.8 117.4 44.8 70.6 54.2 92 92 A I E -ef 68 118A 0 25,-4.5 27,-2.8 -2,-0.4 2,-0.5 -0.933 6.6-172.1-116.1 129.7 42.1 68.3 55.4 93 93 A I E -ef 69 119A 3 -25,-3.2 -23,-3.8 -2,-0.5 2,-0.6 -0.966 7.5-169.5-120.4 117.9 39.8 68.8 58.3 94 94 A T E +e 70 0A 0 25,-2.0 28,-0.2 -2,-0.5 -23,-0.1 -0.903 15.0 173.7-114.7 112.5 37.5 66.0 59.3 95 95 A I + 0 0 17 -25,-2.3 28,-2.6 -2,-0.6 27,-0.3 0.902 41.3 118.1 -76.7 -45.8 34.8 66.5 61.8 96 96 A T - 0 0 15 -26,-0.8 26,-2.2 26,-0.2 2,-0.4 0.302 50.6-150.2 -23.3 140.3 33.0 63.1 61.5 97 97 A E + 0 0 75 25,-0.2 -23,-0.4 1,-0.2 -1,-0.1 -0.953 67.8 41.6-123.2 141.7 32.9 61.0 64.6 98 98 A G + 0 0 7 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.691 61.2 162.5 100.7 20.2 32.9 57.2 64.6 99 99 A I - 0 0 4 -3,-0.2 -1,-0.3 1,-0.1 5,-0.1 -0.652 49.7-104.2 -77.4 123.8 35.3 56.3 61.9 100 100 A P >> - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-1.5 -0.132 27.3-125.4 -42.1 130.3 36.3 52.5 62.3 101 101 A T H 3> S+ 0 0 32 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.881 108.6 54.8 -53.2 -43.1 39.9 52.4 63.8 102 102 A L H 3> S+ 0 0 21 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.732 103.7 57.9 -65.1 -18.9 41.2 50.2 61.0 103 103 A D H <> S+ 0 0 10 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.937 108.6 43.1 -74.7 -48.0 40.0 52.8 58.5 104 104 A M H X S+ 0 0 4 -4,-1.5 4,-3.6 1,-0.2 5,-0.3 0.923 106.9 61.9 -62.6 -43.7 42.1 55.5 60.0 105 105 A L H X S+ 0 0 11 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.913 111.5 37.6 -49.6 -45.9 45.0 53.3 60.4 106 106 A T H X S+ 0 0 62 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.927 115.4 54.3 -70.0 -46.6 45.2 52.8 56.6 107 107 A V H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.881 103.2 56.0 -56.7 -43.7 44.2 56.4 55.9 108 108 A K H X S+ 0 0 12 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.957 103.2 54.8 -57.1 -52.3 47.0 57.8 58.1 109 109 A V H X S+ 0 0 46 -4,-1.3 4,-1.7 -5,-0.3 -1,-0.2 0.885 110.9 45.1 -48.8 -40.6 49.6 55.9 56.1 110 110 A K H X S+ 0 0 86 -4,-1.5 4,-2.1 1,-0.2 6,-0.3 0.934 107.4 59.6 -71.3 -40.0 48.4 57.4 52.9 111 111 A L H <>S+ 0 0 2 -4,-2.6 5,-1.2 2,-0.2 -1,-0.2 0.802 111.6 39.4 -55.8 -33.9 48.3 60.9 54.5 112 112 A D H ><5S+ 0 0 79 -4,-1.7 3,-3.2 3,-0.2 -2,-0.2 0.950 112.0 53.9 -79.4 -65.5 52.0 60.7 55.3 113 113 A E H 3<5S+ 0 0 145 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.762 113.7 43.1 -39.9 -33.8 53.2 59.1 52.1 114 114 A A T 3<5S- 0 0 51 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.502 109.4-120.0 -96.9 -0.2 51.5 61.8 49.9 115 115 A G T < 5 + 0 0 58 -3,-3.2 2,-0.2 1,-0.2 -3,-0.2 0.681 63.0 141.2 72.7 24.7 52.5 64.8 52.1 116 116 A V < - 0 0 15 -5,-1.2 2,-0.5 -6,-0.3 -1,-0.2 -0.598 44.0-132.1 -97.2 158.9 49.0 65.9 52.9 117 117 A R E +f 91 0A 73 -27,-1.2 -25,-4.5 -2,-0.2 2,-0.4 -0.906 21.0 179.5-115.8 126.3 47.8 67.3 56.2 118 118 A M E -f 92 0A 1 -2,-0.5 2,-0.5 66,-0.4 -25,-0.2 -0.962 12.3-159.8-122.4 141.1 44.7 66.2 58.1 119 119 A I E -f 93 0A 0 -27,-2.8 -25,-2.0 -2,-0.4 59,-0.1 -0.991 54.1 -31.1-117.0 124.2 43.5 67.6 61.4 120 120 A G - 0 0 0 57,-0.5 64,-2.6 -2,-0.5 65,-0.4 -0.893 28.0-146.6 124.3-155.8 41.0 65.2 63.1 121 121 A P S S+ 0 0 1 0, 0.0 59,-0.7 0, 0.0 -26,-0.2 0.669 83.3 40.3 -89.4-171.3 38.9 63.2 62.8 122 122 A N S S- 0 0 13 -26,-2.2 57,-1.3 -27,-0.3 -26,-0.2 0.978 127.2 -31.3 73.8 84.4 36.2 63.3 65.6 123 123 A C S S+ 0 0 59 -28,-2.6 55,-0.4 55,-0.2 -28,-0.1 0.912 85.5 150.5 47.2 64.6 35.4 66.9 66.5 124 124 A P - 0 0 10 0, 0.0 12,-0.4 0, 0.0 53,-0.2 0.252 20.0-173.6 -95.1-128.2 38.5 68.8 65.9 125 125 A G E -G 176 0B 4 51,-0.8 51,-2.5 10,-0.1 2,-0.4 -0.415 16.3-152.2 141.2 139.0 38.6 72.5 64.9 126 126 A V E +GH 175 134B 0 8,-2.4 8,-2.0 49,-0.2 2,-0.3 -0.979 19.0 168.9-141.6 125.2 41.0 75.2 63.8 127 127 A I E -GH 174 133B 1 47,-1.5 47,-3.0 -2,-0.4 6,-0.2 -0.998 21.3-167.4-141.9 131.8 40.6 79.0 64.3 128 128 A T E >> - 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k 0 233B 0 25,-2.7 27,-1.3 -2,-0.5 2,-0.3 -0.368 17.5-163.4-120.9-160.8 45.8 66.4 77.0 208 208 A E E - k 0 234B 0 25,-0.3 27,-0.2 2,-0.2 6,-0.1 -0.956 39.0 -48.7-174.0 175.3 43.9 63.6 78.8 209 209 A I S S+ 0 0 0 25,-1.4 48,-0.2 -2,-0.3 41,-0.1 0.092 87.1 55.7 -54.4 167.1 44.1 59.9 79.6 210 210 A G S S+ 0 0 0 46,-2.1 3,-0.3 39,-0.2 -2,-0.2 0.688 86.5 16.8 78.7 126.4 44.8 57.2 77.2 211 211 A G S S- 0 0 14 39,-0.4 -1,-0.2 44,-0.3 4,-0.1 -0.517 77.7 -99.2 87.0-153.7 47.7 56.6 74.8 212 212 A S S > S+ 0 0 17 -2,-0.2 4,-2.3 -3,-0.1 5,-0.2 0.221 80.0 111.1-158.5 19.9 51.1 58.3 74.9 213 213 A A H > S+ 0 0 29 -3,-0.3 4,-1.4 2,-0.2 -25,-0.2 0.720 83.0 60.3 -74.0 -14.5 51.3 61.2 72.5 214 214 A E H > S+ 0 0 1 2,-0.2 4,-2.2 -6,-0.1 -1,-0.2 0.972 107.2 44.5 -70.0 -54.0 51.4 63.4 75.6 215 215 A E H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.921 113.1 49.7 -51.9 -54.3 54.6 61.6 76.8 216 216 A E H X S+ 0 0 73 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.857 107.3 54.8 -56.4 -38.3 56.2 61.7 73.4 217 217 A A H X S+ 0 0 0 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.942 104.6 56.7 -61.5 -45.8 55.5 65.4 73.1 218 218 A A H >X S+ 0 0 3 -4,-2.2 3,-3.3 2,-0.2 4,-1.5 0.966 106.4 46.2 -47.5 -70.5 57.2 65.9 76.4 219 219 A A H 3X S+ 0 0 69 -4,-1.8 4,-1.5 1,-0.3 -1,-0.2 0.894 112.5 52.2 -40.6 -51.4 60.5 64.3 75.2 220 220 A Y H 3X S+ 0 0 47 -4,-2.4 4,-1.5 1,-0.2 -1,-0.3 0.740 108.3 54.3 -61.5 -18.1 60.3 66.4 72.0 221 221 A I H - 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0 0 7 -9,-0.5 -10,-1.7 -12,-0.4 2,-0.7 -0.754 28.7-166.2 -93.2 100.7 43.3 53.4 80.2 252 252 A A B > -N 255 0D 69 -2,-1.0 3,-1.2 3,-0.5 -41,-0.1 -0.769 63.6 -25.8 -96.2 111.8 44.4 50.0 78.7 253 253 A G T 3 S- 0 0 55 -2,-0.7 -1,-0.2 1,-0.2 3,-0.1 0.915 120.3 -54.7 56.4 49.0 46.3 47.6 80.9 254 254 A G T 3 S+ 0 0 36 -3,-0.4 3,-0.4 1,-0.2 2,-0.3 0.350 107.1 119.9 72.1 -4.2 47.8 50.2 83.2 255 255 A K B < +N 252 0D 120 -3,-1.2 -3,-0.5 1,-0.2 -44,-0.3 -0.747 64.0 25.1 -97.7 140.2 49.4 52.4 80.5 256 256 A G S S+ 0 0 0 -2,-0.3 -46,-2.1 -46,-0.2 -1,-0.2 0.773 74.3 166.0 85.8 31.0 48.5 56.1 79.9 257 257 A T > - 0 0 23 -3,-0.4 4,-1.1 -48,-0.2 -1,-0.1 -0.124 49.1-106.6 -71.5 173.2 47.1 57.3 83.3 258 258 A A H > S+ 0 0 3 -23,-0.4 4,-1.7 1,-0.2 3,-0.3 0.970 113.5 51.0 -61.6 -56.1 46.6 60.9 84.3 259 259 A D H > S+ 0 0 86 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.832 103.9 53.1 -51.9 -50.9 49.6 61.1 86.6 260 260 A E H > S+ 0 0 80 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.909 107.8 53.9 -57.2 -43.1 52.3 59.7 84.4 261 261 A K H X S+ 0 0 1 -4,-1.1 4,-0.9 -3,-0.3 -1,-0.2 0.926 112.6 43.4 -56.9 -46.5 51.4 62.3 81.7 262 262 A F H >X S+ 0 0 2 -4,-1.7 3,-1.3 2,-0.2 4,-1.2 0.998 116.8 47.3 -59.4 -65.8 51.7 65.1 84.3 263 263 A A H >X S+ 0 0 52 -4,-2.9 3,-2.4 1,-0.3 4,-1.7 0.912 115.9 41.0 -39.5 -69.1 54.9 63.7 85.7 264 264 A A H 3< S+ 0 0 45 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.679 112.9 56.9 -60.9 -13.9 56.7 63.0 82.4 265 265 A L H <<>S+ 0 0 0 -3,-1.3 5,-0.6 -4,-0.9 -1,-0.3 0.645 108.6 49.0 -88.2 -16.6 55.4 66.3 81.2 266 266 A E H XX5S+ 0 0 85 -3,-2.4 3,-4.4 -4,-1.2 4,-0.9 0.945 101.5 55.5 -82.9 -63.4 57.1 68.0 84.1 267 267 A A T 3<5S+ 0 0 97 -4,-1.7 -1,-0.2 1,-0.3 -3,-0.1 0.497 100.5 69.1 -52.1 1.6 60.6 66.6 84.1 268 268 A A T 345S- 0 0 12 -5,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.525 122.9-100.7 -98.6 -8.3 60.5 68.0 80.5 269 269 A G T <45S+ 0 0 69 -3,-4.4 -40,-0.4 1,-0.3 2,-0.3 0.833 76.9 134.2 92.8 35.1 60.5 71.5 81.7 270 270 A V << - 0 0 15 -4,-0.9 2,-0.9 -5,-0.6 -1,-0.3 -0.842 58.6-118.2-113.6 153.1 56.8 72.4 81.4 271 271 A K E -l 230 0B 114 -42,-2.6 -40,-1.8 -2,-0.3 2,-0.4 -0.830 30.7-153.2 -94.6 109.0 54.7 74.2 84.0 272 272 A T E -l 231 0B 31 -2,-0.9 2,-0.5 -42,-0.2 -40,-0.2 -0.657 6.5-162.1 -85.9 133.4 52.0 71.9 85.1 273 273 A V - 0 0 8 -42,-2.0 -40,-0.3 -2,-0.4 6,-0.1 -0.958 4.6-161.2-112.4 123.3 48.8 73.4 86.4 274 274 A R S S+ 0 0 117 -2,-0.5 2,-0.5 1,-0.1 -1,-0.1 0.666 76.4 48.4 -83.8 -11.2 46.7 71.0 88.3 275 275 A S S > S- 0 0 7 290,-0.0 3,-1.6 287,-0.0 2,-0.4 -0.986 76.8-136.9-125.0 122.8 43.3 72.9 88.1 276 276 A L T 3 S+ 0 0 4 -2,-0.5 3,-0.2 1,-0.3 4,-0.1 0.299 101.2 73.0 -64.7 22.4 42.2 74.1 84.8 277 277 A A T > S+ 0 0 19 -2,-0.4 3,-0.6 1,-0.1 4,-0.4 0.805 90.6 53.3 -96.8 -40.3 41.3 77.3 86.7 278 278 A D T <> S+ 0 0 79 -3,-1.6 4,-1.6 1,-0.2 -2,-0.1 0.030 75.4 106.6 -82.9 28.1 44.9 78.4 87.1 279 279 A I H 3> S+ 0 0 3 2,-0.2 4,-1.4 -3,-0.2 3,-0.3 0.984 84.9 40.9 -71.2 -53.1 45.7 78.2 83.5 280 280 A G H X> S+ 0 0 1 -3,-0.6 4,-1.6 1,-0.2 3,-1.3 0.965 111.8 56.3 -53.9 -56.5 45.7 82.0 83.0 281 281 A E H 34 S+ 0 0 99 -4,-0.4 4,-0.5 1,-0.3 -1,-0.2 0.835 107.8 49.3 -43.1 -43.1 47.5 82.5 86.3 282 282 A A H >< S+ 0 0 10 -4,-1.6 3,-0.7 -3,-0.3 -1,-0.3 0.801 105.5 55.6 -71.8 -29.3 50.3 80.3 85.2 283 283 A L H << S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-1.3 -2,-0.2 0.806 93.2 71.3 -70.2 -30.4 50.7 82.0 81.8 284 284 A K T 3< S+ 0 0 141 -4,-1.6 2,-2.2 1,-0.3 -1,-0.2 0.810 79.7 77.5 -52.9 -33.7 51.2 85.3 83.7 285 285 A T < 0 0 95 -3,-0.7 -1,-0.3 -4,-0.5 -3,-0.1 -0.273 360.0 360.0 -76.7 50.0 54.6 83.8 84.7 286 286 A V 0 0 109 -2,-2.2 -1,-0.2 -3,-0.1 -85,-0.0 -0.085 360.0 360.0 161.7 360.0 55.8 84.8 81.1 287 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 288 1 B M 0 0 43 0, 0.0 217,-3.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 133.0 32.3 45.4 72.6 289 2 B N E -O 504 0E 75 215,-0.2 232,-0.3 232,-0.1 2,-0.3 -0.686 360.0-148.2-103.9 156.6 33.3 42.2 74.2 290 3 B L E -O 503 0E 8 213,-1.7 213,-0.5 -2,-0.2 230,-0.1 -0.860 21.3-107.4-119.6 155.3 32.6 38.5 73.1 291 4 B H >> - 0 0 3 -2,-0.3 4,-1.9 228,-0.2 3,-0.5 -0.326 28.7-112.5 -77.2 162.7 32.2 35.3 75.1 292 5 B E H >> S+ 0 0 7 44,-0.3 4,-2.3 1,-0.2 3,-0.5 0.967 118.0 48.8 -57.9 -51.7 34.7 32.5 75.2 293 6 B Y H 3> S+ 0 0 19 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.690 107.8 54.3 -64.1 -19.7 32.3 30.2 73.3 294 7 B Q H <> S+ 0 0 2 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.820 109.3 47.6 -83.2 -31.4 31.6 32.7 70.7 295 8 B A H <>S+ 0 0 2 -4,-2.9 5,-2.1 1,-0.2 3,-0.8 0.915 101.3 56.7 -60.6 -43.8 37.8 30.1 65.3 300 13 B A H ><5S+ 0 0 68 -4,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.840 102.6 55.7 -55.7 -38.8 36.1 27.0 64.0 301 14 B R H 3<5S+ 0 0 170 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.793 110.3 43.6 -69.2 -27.4 35.0 28.9 61.0 302 15 B Y T <<5S- 0 0 66 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.318 119.1-110.1-101.1 12.3 38.4 30.0 60.0 303 16 B G T < 5 + 0 0 53 -3,-1.0 -3,-0.2 -4,-0.2 -2,-0.1 0.589 66.2 145.4 77.2 12.1 39.8 26.5 60.7 304 17 B L < - 0 0 10 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.2 -0.541 54.6-103.7 -78.7 148.2 41.9 27.3 63.9 305 18 B P + 0 0 49 0, 0.0 193,-2.3 0, 0.0 -1,-0.1 -0.590 47.2 160.2 -83.1 133.6 41.9 24.5 66.3 306 19 B A - 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