==== 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 UNKNOWN FUNCTION 12-DEC-08 3FJ2 . COMPND 2 MOLECULE: MONOOXYGENASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA INNOCUA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 32.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 11 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 1 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 . 0 0 0 0 0 0 0 1 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 -6 A E 0 0 174 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 130.2 19.4 55.6 9.0 2 -5 A N >> - 0 0 84 1,-0.2 4,-2.4 2,-0.0 3,-1.2 -0.821 360.0-168.3 -97.8 100.8 21.1 57.1 12.0 3 -4 A L H 3> S+ 0 0 103 -2,-0.9 4,-1.8 1,-0.3 -1,-0.2 0.693 79.6 70.0 -69.6 -19.7 20.9 60.8 11.4 4 -3 A Y H 34 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.2 57,-0.1 0.896 119.0 22.3 -55.5 -41.7 23.4 61.6 14.2 5 -2 A F H <4 S+ 0 0 130 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.735 137.1 31.9 -93.6 -32.6 26.0 60.1 11.9 6 -1 A Q H < S+ 0 0 101 -4,-2.4 -3,-0.2 55,-0.0 -2,-0.2 0.402 79.3 129.3-117.4 1.0 24.4 60.4 8.5 7 0 A G < - 0 0 6 -4,-1.8 56,-0.0 -5,-0.3 -5,-0.0 -0.250 41.8-157.3 -63.7 144.8 22.3 63.6 8.6 8 1 A X + 0 0 70 53,-0.1 42,-2.9 2,-0.1 2,-0.5 0.342 56.9 108.4-109.2 2.2 22.8 66.0 5.7 9 2 A K E -A 49 0A 114 53,-0.3 53,-2.7 40,-0.2 2,-0.3 -0.739 53.0-177.1 -82.6 129.8 21.4 69.2 7.3 10 3 A K E -AB 48 61A 3 38,-3.3 38,-2.0 -2,-0.5 2,-0.4 -0.877 32.0-151.3-130.6 156.4 24.4 71.5 7.9 11 4 A V E -AB 47 60A 0 49,-2.3 49,-2.5 -2,-0.3 2,-0.4 -0.981 17.6-162.9-119.3 134.1 25.5 74.8 9.4 12 5 A F E -AB 46 59A 4 34,-2.5 34,-2.2 -2,-0.4 2,-0.5 -0.986 3.5-168.0-115.2 132.9 28.7 76.4 7.9 13 6 A I E -AB 45 58A 8 45,-2.2 45,-2.4 -2,-0.4 2,-0.5 -0.969 5.1-177.6-127.7 115.0 30.4 79.1 9.9 14 7 A T E -A 44 0A 17 30,-2.3 30,-3.0 -2,-0.5 2,-0.3 -0.955 6.8-162.7-116.9 124.7 33.1 81.3 8.2 15 8 A T E +A 43 0A 73 -2,-0.5 2,-0.3 28,-0.2 28,-0.2 -0.715 30.7 111.7-103.9 156.1 35.0 83.9 10.1 16 9 A G E -A 42 0A 25 26,-1.6 26,-1.4 -2,-0.3 2,-0.1 -0.979 65.7 -42.8 170.6-175.2 37.0 86.7 8.6 17 10 A T > - 0 0 91 -2,-0.3 4,-2.6 24,-0.1 5,-0.2 -0.413 55.4-113.1 -71.5 157.7 37.2 90.5 8.1 18 11 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 118.1 52.5 -57.5 -39.0 34.0 92.3 7.2 19 12 A H H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.947 111.0 45.0 -66.1 -47.4 35.5 93.1 3.8 20 13 A Y H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.929 114.9 47.9 -60.5 -46.6 36.4 89.5 3.0 21 14 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.850 108.2 54.3 -71.1 -30.0 33.1 88.2 4.2 22 15 A R H X S+ 0 0 90 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.894 109.4 48.7 -67.8 -36.1 31.1 90.7 2.2 23 16 A Q H X S+ 0 0 83 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.932 110.8 51.3 -63.3 -45.2 33.1 89.6 -0.9 24 17 A L H X S+ 0 0 12 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.910 107.9 51.4 -59.5 -44.3 32.2 86.0 0.1 25 18 A X H < S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.861 106.1 55.4 -60.8 -36.5 28.5 86.9 0.4 26 19 A E H >< S+ 0 0 137 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.866 107.3 50.3 -58.1 -40.1 28.6 88.5 -3.1 27 20 A N H 3< S+ 0 0 124 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.706 118.3 38.0 -76.1 -22.0 29.9 85.2 -4.5 28 21 A Y T 3< S+ 0 0 53 -4,-1.1 3,-0.4 -3,-0.2 -1,-0.2 -0.082 80.7 157.3-118.7 34.8 27.1 83.2 -2.8 29 22 A I < + 0 0 146 -3,-1.0 3,-0.1 1,-0.2 -3,-0.1 -0.293 65.7 32.4 -57.0 138.2 24.3 85.7 -3.3 30 23 A G S S+ 0 0 83 1,-0.3 2,-0.2 3,-0.1 -1,-0.2 0.864 97.2 110.6 77.5 38.7 20.9 84.0 -3.1 31 24 A E S S- 0 0 82 -3,-0.4 2,-1.8 -6,-0.1 -1,-0.3 -0.725 88.6 -84.8-129.6 176.5 22.0 81.4 -0.6 32 25 A N S S+ 0 0 71 15,-0.3 15,-0.9 -2,-0.2 2,-0.4 -0.520 75.2 149.7 -87.9 77.2 21.1 80.9 3.1 33 26 A V E -C 46 0A 38 -2,-1.8 2,-0.4 13,-0.2 13,-0.2 -0.918 27.1-179.4-124.5 129.9 23.7 83.4 4.3 34 27 A T E -C 45 0A 25 11,-2.6 11,-2.8 -2,-0.4 2,-0.5 -0.992 16.5-147.6-127.1 128.3 23.7 85.8 7.4 35 28 A L E +C 44 0A 10 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.831 22.4 178.1 -93.8 132.8 26.5 88.2 8.3 36 29 A L E -C 43 0A 0 7,-2.8 7,-2.3 -2,-0.5 2,-0.3 -0.905 5.2-166.5-132.1 156.0 27.0 88.7 12.0 37 30 A Q E +CD 42 165A 26 128,-2.8 128,-2.8 -2,-0.3 2,-0.2 -0.984 12.6 175.7-144.2 151.4 29.5 90.8 13.9 38 31 A N - 0 0 42 3,-2.7 126,-0.1 -2,-0.3 124,-0.0 -0.754 56.3 -75.1-136.4-165.7 31.0 91.5 17.3 39 32 A F S S+ 0 0 114 -2,-0.2 3,-0.1 1,-0.2 125,-0.1 0.845 128.4 29.4 -61.0 -34.9 33.8 93.7 18.6 40 33 A S S S+ 0 0 116 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.810 121.5 7.4 -89.3 -34.5 36.5 91.4 17.3 41 34 A Q - 0 0 71 -24,-0.1 -3,-2.7 -23,-0.0 2,-0.3 -0.916 50.5-124.1-156.1 156.7 35.2 89.8 14.3 42 35 A S E -AC 16 37A 7 -26,-1.4 -26,-1.6 -2,-0.3 2,-0.3 -0.806 27.5-170.4-111.1 159.8 32.7 89.1 11.5 43 36 A L E -AC 15 36A 2 -7,-2.3 -7,-2.8 -2,-0.3 2,-0.5 -0.993 16.6-144.0-151.0 139.4 31.1 85.7 10.8 44 37 A L E -AC 14 35A 12 -30,-3.0 -30,-2.3 -2,-0.3 2,-0.5 -0.953 17.4-164.6-107.7 131.4 29.0 84.3 8.0 45 38 A Y E +AC 13 34A 0 -11,-2.8 -11,-2.6 -2,-0.5 2,-0.4 -0.962 11.8 173.5-117.1 128.6 26.4 81.8 9.1 46 39 A Q E -AC 12 33A 18 -34,-2.2 -34,-2.5 -2,-0.5 2,-0.4 -0.999 19.3-157.1-135.3 138.3 24.7 79.5 6.5 47 40 A E E +A 11 0A 43 -15,-0.9 2,-0.3 -2,-0.4 -15,-0.3 -0.949 31.4 146.8-104.7 135.3 22.3 76.6 6.8 48 41 A S E -A 10 0A 35 -38,-2.0 -38,-3.3 -2,-0.4 2,-0.4 -0.962 42.6-115.2-156.5 171.7 22.2 74.2 3.9 49 42 A T E S+A 9 0A 109 -2,-0.3 2,-0.4 -40,-0.2 -40,-0.2 -0.963 76.7 29.0-117.3 131.0 21.7 70.5 3.0 50 43 A G S S- 0 0 21 -42,-2.9 2,-0.3 -2,-0.4 -2,-0.1 -0.955 96.4 -34.4 126.0-145.3 24.4 68.3 1.6 51 44 A E - 0 0 98 -2,-0.4 3,-0.1 1,-0.1 4,-0.1 -0.775 43.7-116.9-117.5 162.8 28.2 68.6 2.0 52 45 A K > + 0 0 59 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.853 47.7 169.2 -59.4 -39.6 30.8 71.3 2.4 53 46 A L T 3 S- 0 0 145 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 -0.367 74.7 -25.2 50.0-122.2 32.4 70.4 -0.9 54 47 A F T 3 S+ 0 0 168 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.422 106.1 125.0 -97.1 1.5 34.9 73.3 -1.6 55 48 A Q < - 0 0 36 -3,-2.2 2,-0.1 1,-0.1 -3,-0.0 -0.192 60.8-109.5 -64.0 155.9 32.9 75.9 0.4 56 49 A E + 0 0 70 -44,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.347 67.0 38.5 -85.5 161.3 34.6 77.8 3.2 57 50 A G S S- 0 0 21 -45,-0.1 2,-0.4 -2,-0.1 -43,-0.3 -0.291 88.9 -49.3 101.4 179.4 34.2 77.7 6.9 58 51 A K E -B 13 0A 146 -45,-2.4 -45,-2.2 -2,-0.1 2,-0.4 -0.794 51.7-137.2 -97.7 139.5 33.6 75.0 9.6 59 52 A E E -B 12 0A 32 -2,-0.4 57,-1.7 -47,-0.2 2,-0.4 -0.833 20.3-179.2-105.4 135.3 30.9 72.5 9.1 60 53 A Y E -BE 11 115A 6 -49,-2.5 -49,-2.3 -2,-0.4 2,-0.5 -0.980 25.0-129.1-130.7 134.9 28.5 71.3 11.7 61 54 A R E -BE 10 114A 17 53,-2.8 53,-2.0 -2,-0.4 2,-0.5 -0.773 25.1-126.8 -84.7 128.9 25.7 68.6 11.3 62 55 A V E + E 0 113A 24 -53,-2.7 -53,-0.3 -2,-0.5 51,-0.3 -0.636 32.7 171.9 -77.9 121.1 22.4 69.8 12.6 63 56 A L E + 0 0 40 49,-3.1 2,-0.3 -2,-0.5 50,-0.2 0.796 69.2 5.8 -94.8 -40.8 21.0 67.3 15.1 64 57 A Q E - E 0 112A 43 48,-1.7 48,-2.8 2,-0.0 -1,-0.4 -0.993 66.2-174.9-146.5 140.8 17.9 69.2 16.3 65 58 A S E - E 0 111A 69 -2,-0.3 2,-0.3 46,-0.2 46,-0.2 -0.979 2.0-177.4-135.1 150.8 16.4 72.5 15.2 66 59 A S E - E 0 110A 29 44,-2.2 44,-1.8 -2,-0.3 -2,-0.0 -0.992 48.5 -6.2-143.6 153.5 13.5 74.8 16.4 67 60 A G E S- E 0 109A 58 -2,-0.3 2,-0.3 42,-0.2 42,-0.3 -0.102 76.3 -86.7 69.2-162.5 11.9 78.0 15.3 68 61 A S - 0 0 65 40,-1.5 2,-0.2 58,-0.1 -1,-0.0 -0.991 34.4 -99.5-151.6 147.0 13.1 80.2 12.5 69 62 A L - 0 0 45 -2,-0.3 -2,-0.0 1,-0.1 41,-0.0 -0.476 24.8-167.8 -67.5 131.0 15.5 83.0 12.0 70 63 A K - 0 0 106 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.587 39.6-117.1 -95.7 -14.3 13.8 86.4 12.1 71 64 A G S S+ 0 0 43 1,-0.3 2,-0.3 -37,-0.0 -2,-0.1 0.678 81.1 70.1 88.5 23.4 16.8 88.4 10.8 72 65 A F + 0 0 102 2,-0.1 2,-0.4 94,-0.0 -2,-0.3 -0.964 67.3 43.0-157.0 162.0 17.5 90.7 13.8 73 66 A G S S- 0 0 20 -2,-0.3 93,-1.2 -3,-0.1 2,-0.3 -0.763 88.5 -38.6 109.7-138.7 18.7 90.6 17.4 74 67 A I E -FG 127 165A 17 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.878 41.4-148.5-127.2 160.1 21.7 88.7 18.8 75 68 A V E -FG 126 164A 0 89,-2.6 89,-2.8 -2,-0.3 2,-0.4 -0.999 9.6-157.5-131.6 129.3 23.1 85.2 18.1 76 69 A V E -FG 125 163A 0 49,-2.8 49,-2.2 -2,-0.4 2,-0.6 -0.919 0.8-161.6-113.4 131.8 24.8 83.1 20.7 77 70 A F E -FG 124 162A 0 85,-3.0 85,-2.5 -2,-0.4 2,-0.7 -0.960 6.0-170.1-114.9 109.9 27.3 80.3 19.8 78 71 A E E -FG 123 161A 0 45,-2.8 45,-2.4 -2,-0.6 2,-0.5 -0.903 3.3-168.5-107.4 107.6 27.9 77.8 22.6 79 72 A Y E +FG 122 160A 18 81,-3.2 81,-1.6 -2,-0.7 2,-0.3 -0.857 16.3 162.8 -98.3 125.7 30.7 75.5 21.9 80 73 A I E -F 121 0A 0 41,-2.3 41,-2.8 -2,-0.5 2,-0.5 -0.905 32.6-132.7-139.4 158.6 31.1 72.5 24.2 81 74 A Q E -F 120 0A 27 -2,-0.3 2,-0.4 67,-0.3 39,-0.2 -0.982 22.1-159.7-116.0 127.6 32.9 69.1 24.2 82 75 A L - 0 0 5 37,-2.4 2,-0.2 -2,-0.5 5,-0.0 -0.865 13.9-131.5-107.3 138.6 30.9 66.1 25.2 83 76 A R >> - 0 0 121 -2,-0.4 3,-1.2 1,-0.1 4,-0.8 -0.617 31.2-111.6 -75.8 151.4 32.3 62.8 26.4 84 77 A D G >4 S+ 0 0 122 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.913 118.2 56.5 -48.5 -46.9 30.8 59.7 24.7 85 78 A E G 34 S+ 0 0 146 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.766 108.2 48.9 -59.8 -29.6 29.1 58.6 28.0 86 79 A E G <> S+ 0 0 55 -3,-1.2 4,-2.8 1,-0.1 -1,-0.3 0.590 90.3 83.2 -81.8 -17.3 27.3 62.0 28.1 87 80 A I H S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.920 118.1 47.9 -58.1 -41.3 22.8 60.0 24.9 89 82 A I H > S+ 0 0 107 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.896 113.4 47.3 -63.6 -46.2 21.9 61.7 28.1 90 83 A F H X S+ 0 0 9 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.922 111.4 49.5 -66.1 -43.8 22.6 65.2 26.7 91 84 A L H X S+ 0 0 37 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.885 113.3 46.9 -62.2 -40.3 20.6 64.6 23.5 92 85 A Q H X S+ 0 0 116 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.923 113.8 47.5 -66.4 -45.6 17.6 63.3 25.5 93 86 A X H X S+ 0 0 43 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.943 112.6 49.2 -60.2 -49.4 17.7 66.2 28.0 94 87 A Y H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.909 109.4 52.1 -59.5 -41.3 18.0 68.8 25.2 95 88 A Q H X S+ 0 0 80 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.916 111.4 46.6 -63.2 -43.8 15.1 67.2 23.4 96 89 A H H >< S+ 0 0 97 -4,-2.3 3,-0.9 1,-0.2 4,-0.2 0.915 113.0 49.7 -60.8 -45.6 12.9 67.4 26.5 97 90 A A H >< S+ 0 0 27 -4,-3.0 3,-2.2 1,-0.2 -2,-0.2 0.886 101.9 63.8 -58.1 -37.4 14.1 71.0 27.1 98 91 A S H >< S+ 0 0 30 -4,-2.5 3,-1.1 1,-0.3 4,-0.4 0.698 83.4 75.2 -68.6 -18.6 13.2 71.9 23.5 99 92 A L T << S+ 0 0 101 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.710 101.8 43.9 -61.7 -16.8 9.6 71.2 24.1 100 93 A H T X S+ 0 0 98 -3,-2.2 3,-1.2 -4,-0.2 4,-0.3 0.357 81.1 98.8-111.7 5.1 9.5 74.5 26.0 101 94 A F G X S+ 0 0 14 -3,-1.1 3,-1.4 1,-0.3 6,-0.2 0.862 79.1 60.3 -58.4 -36.2 11.6 76.7 23.5 102 95 A S G 3 S+ 0 0 117 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.725 105.9 48.5 -65.3 -19.8 8.3 78.1 22.1 103 96 A E G < S+ 0 0 130 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.417 86.1 107.0 -94.9 -2.1 7.5 79.4 25.6 104 97 A T S X S- 0 0 31 -3,-1.4 3,-1.8 -4,-0.3 28,-0.0 -0.687 78.5-117.4 -84.1 116.0 11.0 81.0 26.1 105 98 A P T 3 S+ 0 0 91 0, 0.0 31,-0.1 0, 0.0 3,-0.1 -0.263 90.0 2.2 -60.2 133.7 10.7 84.8 25.8 106 99 A G T 3 S+ 0 0 14 1,-0.2 22,-2.6 21,-0.1 2,-0.7 0.395 90.4 135.1 79.3 -1.6 12.6 86.3 23.0 107 100 A L E < + H 0 127A 26 -3,-1.8 20,-0.2 20,-0.2 -1,-0.2 -0.729 24.6 173.8 -87.8 116.6 13.9 83.0 21.6 108 101 A Q E - 0 0 10 18,-3.2 -40,-1.5 -2,-0.7 2,-0.3 0.887 60.8 -21.4 -84.9 -47.2 13.6 82.9 17.8 109 102 A S E -EH 67 126A 0 17,-1.1 17,-2.7 -42,-0.3 2,-0.3 -0.987 52.5-152.9-163.2 154.2 15.3 79.7 16.8 110 103 A T E -EH 66 125A 6 -44,-1.8 -44,-2.2 -2,-0.3 2,-0.4 -0.981 1.2-163.7-136.8 153.2 17.8 77.1 18.1 111 104 A K E -EH 65 124A 12 13,-2.6 13,-2.6 -2,-0.3 2,-0.6 -0.973 4.5-162.9-134.4 119.2 20.2 74.7 16.4 112 105 A L E +EH 64 123A 0 -48,-2.8 -49,-3.1 -2,-0.4 -48,-1.7 -0.924 31.1 167.1 -95.6 123.8 21.9 71.8 18.2 113 106 A T E -EH 62 122A 0 9,-2.2 9,-2.4 -2,-0.6 2,-0.4 -0.879 30.0-143.3-136.0 162.6 24.8 70.8 16.0 114 107 A K E -EH 61 121A 10 -53,-2.0 -53,-2.8 -2,-0.3 7,-0.3 -0.997 28.4-113.3-129.9 133.1 27.9 68.6 16.1 115 108 A A E > -E 60 0A 9 5,-3.3 3,-1.4 -2,-0.4 -55,-0.2 -0.299 53.4 -86.9 -57.1 145.3 31.2 69.4 14.4 116 109 A X T 3 S- 0 0 37 -57,-1.7 -1,-0.1 1,-0.2 3,-0.1 -0.343 103.8 -8.2 -58.7 125.9 31.9 66.9 11.7 117 110 A N T 3 S+ 0 0 143 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.564 118.0 85.7 68.8 10.9 33.6 63.7 12.9 118 111 A T S < S- 0 0 62 -3,-1.4 -1,-0.2 2,-0.2 -37,-0.0 -0.864 83.3-112.2-132.4 175.9 34.3 65.0 16.5 119 112 A N S S+ 0 0 56 -2,-0.3 -37,-2.4 -3,-0.1 2,-0.6 0.169 76.2 117.0 -95.1 18.2 32.7 65.2 19.9 120 113 A Q E -F 81 0A 19 -39,-0.2 -5,-3.3 -5,-0.1 2,-0.3 -0.790 47.7-164.4 -86.5 123.7 32.5 69.1 19.8 121 114 A F E -FH 80 114A 0 -41,-2.8 -41,-2.3 -2,-0.6 2,-0.4 -0.745 7.6-160.0-106.3 153.3 29.0 70.3 19.9 122 115 A L E -FH 79 113A 0 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.6 -0.982 0.7-164.6-136.1 120.0 27.7 73.8 19.0 123 116 A I E -FH 78 112A 4 -45,-2.4 -45,-2.8 -2,-0.4 2,-0.5 -0.952 10.3-166.7-106.0 118.5 24.4 75.2 20.2 124 117 A V E -FH 77 111A 0 -13,-2.6 -13,-2.6 -2,-0.6 2,-0.4 -0.924 6.1-175.4-107.7 131.0 23.3 78.3 18.2 125 118 A S E -FH 76 110A 2 -49,-2.2 -49,-2.8 -2,-0.5 2,-0.5 -0.994 13.8-150.8-132.8 139.1 20.5 80.4 19.6 126 119 A F E -FH 75 109A 0 -17,-2.7 -18,-3.2 -2,-0.4 -17,-1.1 -0.932 19.8-174.3-114.4 125.1 18.8 83.4 18.0 127 120 A W E -FH 74 107A 0 -53,-2.8 -53,-2.4 -2,-0.5 -20,-0.2 -0.917 36.1-130.3-127.6 146.1 17.3 86.0 20.3 128 121 A D S S- 0 0 63 -22,-2.6 2,-0.3 -2,-0.3 -21,-0.1 0.820 93.9 -17.6 -59.2 -37.4 15.3 89.2 19.9 129 122 A S S >> S- 0 0 40 -23,-0.2 4,-1.2 -56,-0.1 3,-0.7 -0.968 70.7 -99.5-163.2 166.8 17.8 91.0 22.1 130 123 A E H 3> S+ 0 0 85 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.810 113.3 69.8 -66.2 -28.1 20.5 90.2 24.6 131 124 A V H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 99.9 48.0 -54.6 -43.3 18.1 90.9 27.6 132 125 A F H <> S+ 0 0 74 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.869 111.8 49.0 -67.9 -39.8 16.2 87.7 26.7 133 126 A F H X S+ 0 0 0 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.926 108.9 52.9 -63.4 -45.5 19.3 85.6 26.4 134 127 A Q H < S+ 0 0 73 -4,-3.0 3,-0.5 1,-0.2 4,-0.3 0.905 109.5 49.5 -60.4 -38.8 20.6 87.0 29.8 135 128 A E H >< S+ 0 0 104 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.911 105.3 57.8 -61.3 -41.8 17.2 85.9 31.4 136 129 A W H >< S+ 0 0 17 -4,-1.9 3,-2.3 1,-0.3 6,-0.4 0.730 87.2 76.7 -62.9 -23.9 17.6 82.4 29.8 137 130 A K T 3< S+ 0 0 71 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.755 84.9 65.8 -58.8 -22.3 20.9 82.1 31.6 138 131 A K T < S+ 0 0 153 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.551 84.2 101.1 -71.7 -8.2 18.8 81.4 34.7 139 132 A T S <> S- 0 0 42 -3,-2.3 4,-2.3 1,-0.1 5,-0.2 -0.407 81.4-121.5 -84.7 154.6 17.5 78.1 33.2 140 133 A P H > S+ 0 0 93 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.891 112.6 57.0 -57.1 -38.3 18.6 74.6 34.0 141 134 A L H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.950 108.8 45.1 -61.2 -46.1 19.5 74.0 30.3 142 135 A H H > S+ 0 0 13 -6,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.902 111.6 53.7 -61.7 -40.6 21.9 77.0 30.3 143 136 A K H X S+ 0 0 140 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 111.3 44.6 -60.0 -41.7 23.3 75.9 33.7 144 137 A E H X S+ 0 0 88 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.892 112.0 51.8 -72.2 -39.9 24.1 72.4 32.4 145 138 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.942 113.0 46.5 -57.6 -45.4 25.6 73.8 29.1 146 139 A T H X S+ 0 0 58 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.888 110.0 53.4 -64.1 -43.1 27.8 76.1 31.2 147 140 A S H X S+ 0 0 64 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.926 112.6 43.4 -54.5 -51.2 28.8 73.2 33.5 148 141 A I H X S+ 0 0 19 -4,-2.5 4,-2.8 1,-0.2 -67,-0.3 0.898 109.0 58.4 -64.3 -43.8 29.9 71.0 30.5 149 142 A X H < S+ 0 0 24 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.915 116.3 34.2 -53.9 -45.0 31.6 74.0 28.9 150 143 A K H >< S+ 0 0 97 -4,-2.1 3,-0.8 2,-0.1 -2,-0.2 0.953 120.8 46.7 -76.9 -48.5 33.8 74.4 32.0 151 144 A K H 3< S+ 0 0 94 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.828 118.5 37.6 -66.6 -38.1 34.2 70.7 33.1 152 145 A N T 3< S+ 0 0 23 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.2 0.383 79.9 131.3 -99.2 2.3 35.1 69.2 29.7 153 146 A N < - 0 0 44 -3,-0.8 -4,-0.0 -4,-0.3 -73,-0.0 -0.434 38.8-167.3 -60.2 109.7 37.2 72.0 28.4 154 147 A T - 0 0 80 -2,-0.5 -1,-0.2 1,-0.0 -3,-0.0 0.274 41.0-119.4 -82.1 10.4 40.5 70.4 27.0 155 148 A Q S S+ 0 0 150 1,-0.1 -2,-0.1 4,-0.1 -1,-0.0 0.722 87.4 106.2 65.8 26.1 42.0 73.9 26.9 156 149 A V S S- 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.159 101.1 -87.5-121.1 17.0 42.6 74.0 23.1 157 150 A G S S+ 0 0 51 2,-0.1 3,-0.0 0, 0.0 -4,-0.0 0.557 96.5 113.0 93.6 11.6 39.8 76.3 22.1 158 151 A F + 0 0 96 1,-0.1 2,-0.4 -9,-0.0 -37,-0.1 0.514 68.7 62.0 -91.4 -5.1 36.9 73.9 21.6 159 152 A S + 0 0 13 -79,-0.1 2,-0.3 -39,-0.1 -79,-0.2 -0.968 68.5 109.6-126.5 116.5 34.8 75.3 24.6 160 153 A H E - G 0 79A 61 -81,-1.6 -81,-3.2 -2,-0.4 2,-0.5 -0.962 54.4-124.5-174.7 158.1 33.5 78.9 24.6 161 154 A E E - G 0 78A 57 -2,-0.3 2,-0.4 -83,-0.2 -83,-0.2 -0.982 29.1-173.9-120.0 116.4 30.4 81.1 24.4 162 155 A D E - G 0 77A 41 -85,-2.5 -85,-3.0 -2,-0.5 2,-0.4 -0.924 7.9-156.6-114.9 135.5 30.5 83.8 21.6 163 156 A I E + G 0 76A 47 -2,-0.4 2,-0.3 -87,-0.2 -87,-0.2 -0.938 14.1 177.0-114.6 134.9 27.9 86.5 21.1 164 157 A Y E - G 0 75A 5 -89,-2.8 -89,-2.6 -2,-0.4 2,-0.3 -0.876 12.3-153.8-130.1 157.4 27.3 88.3 17.8 165 158 A H E -DG 37 74A 87 -128,-2.8 -128,-2.8 -2,-0.3 -91,-0.2 -0.825 33.4 -90.8-123.4 168.4 24.8 90.9 16.6 166 159 A Y - 0 0 45 -93,-1.2 -130,-0.2 -2,-0.3 3,-0.1 -0.495 55.8 -98.6 -74.7 147.3 23.4 91.7 13.1 167 160 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.206 47.9 -73.1 -72.7 163.5 25.4 94.4 11.3 168 161 A E - 0 0 86 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.248 58.4-102.8 -50.8 132.1 24.7 98.2 11.0 169 162 A F 0 0 205 -3,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.415 360.0 360.0 -61.5 129.5 21.8 98.9 8.7 170 163 A S 0 0 121 -2,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 -0.933 360.0 360.0-109.6 360.0 23.0 100.2 5.3