==== 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 HYDROLASE 13-JUL-05 2AAM . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM1410; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1716 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1202 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 216 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 108 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 207 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 501 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 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 4 12 0 4 2 6 0 0 0 0 0 2 12 4 0 0 0 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 12 12 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 PARALLEL BRIDGES PER LADDER . 13 9 9 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 ANTIPARALLEL BRIDGES PER LADDER . 6 6 6 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 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 29 A G 0 0 128 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.5 -10.7 1.5 -17.8 2 30 A W - 0 0 89 254,-0.1 2,-0.9 1,-0.1 257,-0.1 -0.433 360.0-118.9 -79.9 147.6 -12.2 5.0 -18.4 3 31 A F + 0 0 85 224,-0.2 226,-0.4 -2,-0.1 -1,-0.1 -0.764 50.2 153.1 -81.9 107.5 -13.5 6.3 -21.8 4 32 A X + 0 0 68 -2,-0.9 256,-0.1 224,-0.1 -2,-0.1 -0.700 12.2 168.2-139.9 84.1 -11.2 9.3 -22.3 5 33 A P + 0 0 60 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.624 65.1 59.4 -79.9 -14.2 -10.8 10.0 -26.0 6 34 A F - 0 0 32 1,-0.1 3,-0.1 22,-0.0 22,-0.0 -0.944 66.0-152.3-112.9 140.6 -9.2 13.4 -25.6 7 35 A D S S- 0 0 100 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.630 80.7 -11.7 -76.7 -19.6 -6.0 14.0 -23.6 8 36 A N - 0 0 4 253,-0.1 2,-0.3 274,-0.1 20,-0.1 -0.948 60.4-146.0-160.6 177.0 -7.1 17.5 -22.8 9 37 A W - 0 0 1 253,-0.5 2,-0.4 -2,-0.3 20,-0.2 -0.959 7.1-143.1-157.0 154.5 -9.6 20.3 -23.5 10 38 A L E -a 29 0A 0 18,-2.4 20,-3.2 -2,-0.3 2,-0.4 -0.932 6.7-168.5-113.8 139.0 -9.9 24.1 -23.6 11 39 A Y E +a 30 0A 3 -2,-0.4 2,-0.3 18,-0.2 264,-0.2 -0.978 22.4 153.2-124.0 113.9 -12.9 26.2 -22.6 12 40 A Q E +a 31 0A 2 18,-2.7 20,-0.7 -2,-0.4 260,-0.2 -0.820 16.4 171.4-149.1 104.7 -12.6 29.9 -23.7 13 41 A L + 0 0 39 258,-0.8 2,-0.3 -2,-0.3 259,-0.2 0.483 69.4 49.0 -96.5 -2.6 -15.7 32.1 -24.2 14 42 A Q S S+ 0 0 80 257,-1.7 22,-0.1 1,-0.1 21,-0.1 -0.990 114.0 2.1-137.1 147.6 -13.8 35.5 -24.7 15 43 A N S S+ 0 0 110 20,-0.7 2,-0.3 -2,-0.3 259,-0.1 0.759 76.3 173.9 53.1 31.6 -10.8 36.6 -26.8 16 44 A A - 0 0 8 19,-0.1 -1,-0.2 -4,-0.1 15,-0.0 -0.557 15.2-160.9 -76.1 130.9 -10.4 33.1 -28.4 17 45 A D >> - 0 0 70 -2,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.911 12.5-156.5-118.2 103.8 -7.8 33.1 -31.2 18 46 A P H 3> S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.802 95.4 52.8 -41.8 -42.7 -8.0 30.3 -33.7 19 47 A V H 3> S+ 0 0 84 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.903 112.5 43.0 -66.1 -46.4 -4.3 30.7 -34.6 20 48 A E H <4 S+ 0 0 87 -3,-0.5 3,-0.2 2,-0.2 4,-0.2 0.886 115.6 50.1 -64.0 -41.8 -3.2 30.5 -30.9 21 49 A I H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 5,-0.5 0.924 104.2 59.1 -63.9 -41.5 -5.5 27.6 -30.3 22 50 A S H 3< S+ 0 0 29 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.786 112.0 37.4 -66.0 -29.8 -4.3 25.6 -33.3 23 51 A S T 3< S+ 0 0 101 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.318 95.5 89.6-101.9 13.6 -0.7 25.4 -32.1 24 52 A S S < S- 0 0 29 -3,-1.6 -2,-0.1 -4,-0.2 -1,-0.1 0.762 92.5-120.3 -80.1 -25.8 -1.5 24.9 -28.4 25 53 A G + 0 0 49 -4,-0.5 2,-0.3 1,-0.4 -3,-0.1 0.401 67.6 138.2 87.9 -0.1 -1.7 21.2 -28.2 26 54 A F - 0 0 3 -5,-0.5 -1,-0.4 1,-0.1 -2,-0.1 -0.671 39.8-161.1 -75.4 133.7 -5.3 21.5 -26.9 27 55 A E S S+ 0 0 76 -2,-0.3 30,-2.4 1,-0.3 2,-0.4 0.739 72.5 24.2 -96.0 -27.4 -7.3 18.7 -28.8 28 56 A I E S- b 0 57A 0 28,-0.2 -18,-2.4 -20,-0.1 2,-0.4 -0.995 70.0-165.7-138.4 137.1 -10.8 19.9 -28.4 29 57 A A E -ab 10 58A 0 28,-2.7 30,-2.6 -2,-0.4 2,-0.7 -0.985 9.6-157.6-132.2 123.4 -11.8 23.6 -27.8 30 58 A V E +ab 11 59A 0 -20,-3.2 -18,-2.7 -2,-0.4 2,-0.2 -0.891 33.7 153.7 -98.6 115.4 -15.1 24.9 -26.6 31 59 A I E -ab 12 60A 0 28,-2.7 30,-2.7 -2,-0.7 -18,-0.2 -0.758 46.2 -86.8-128.9 176.1 -15.5 28.5 -27.7 32 60 A D - 0 0 7 -20,-0.7 30,-0.1 -2,-0.2 11,-0.1 -0.502 32.1-125.0 -78.3 158.4 -18.1 31.1 -28.6 33 61 A Y S S+ 0 0 0 28,-0.4 10,-2.4 -2,-0.2 2,-0.3 0.564 94.9 50.3 -79.4 -8.9 -19.4 31.3 -32.1 34 62 A S B S-E 42 0B 3 8,-0.3 8,-0.3 -21,-0.1 -2,-0.2 -0.955 80.6-127.0-131.6 147.8 -18.4 35.0 -32.2 35 63 A K S S+ 0 0 103 6,-3.2 -20,-0.7 -2,-0.3 -19,-0.1 0.728 113.1 12.8 -62.2 -25.1 -15.3 37.0 -31.3 36 64 A D S S- 0 0 103 2,-0.4 -1,-0.2 -22,-0.1 3,-0.1 0.239 111.5 -98.1-139.4 13.3 -17.3 39.2 -29.0 37 65 A G S S+ 0 0 5 1,-0.3 35,-0.2 -3,-0.1 2,-0.1 0.044 92.1 107.9 90.4 -23.2 -20.6 37.5 -28.6 38 66 A S S > S- 0 0 26 33,-0.1 3,-0.8 1,-0.1 -2,-0.4 -0.465 82.2-113.6 -93.2 159.6 -22.2 39.7 -31.2 39 67 A E G > S+ 0 0 103 31,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.873 117.6 56.5 -50.3 -47.1 -23.4 39.0 -34.8 40 68 A S G 3 S+ 0 0 111 1,-0.2 -1,-0.2 -6,-0.1 -5,-0.0 0.811 105.4 53.0 -60.7 -28.1 -20.7 41.3 -36.1 41 69 A G G < S+ 0 0 7 -3,-0.8 -6,-3.2 -7,-0.0 -1,-0.2 0.461 76.7 139.0 -84.8 -1.6 -18.0 39.2 -34.3 42 70 A E B < -E 34 0B 55 -3,-1.5 -8,-0.3 -4,-0.4 2,-0.1 -0.138 57.8-116.2 -48.1 131.2 -19.2 35.9 -35.8 43 71 A Y - 0 0 11 -10,-2.4 -1,-0.1 1,-0.1 -2,-0.0 -0.454 29.9-121.8 -69.2 146.2 -16.2 33.7 -36.7 44 72 A S > - 0 0 32 -2,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.496 20.1-110.8 -84.9 157.5 -15.8 32.9 -40.4 45 73 A P H > S+ 0 0 67 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.841 120.6 55.3 -50.0 -34.2 -15.7 29.5 -41.9 46 74 A E H > S+ 0 0 131 2,-0.2 4,-1.2 1,-0.2 -3,-0.0 0.888 105.5 49.5 -69.3 -43.1 -12.0 30.2 -42.7 47 75 A E H > S+ 0 0 49 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.855 111.8 48.1 -67.6 -38.2 -11.1 31.0 -39.1 48 76 A I H X S+ 0 0 1 -4,-2.0 4,-1.9 72,-0.2 3,-0.3 0.871 106.5 58.6 -69.0 -33.5 -12.8 27.8 -37.8 49 77 A K H X S+ 0 0 119 -4,-1.7 4,-3.1 -5,-0.2 5,-0.2 0.799 92.7 68.1 -66.4 -27.5 -11.0 25.8 -40.5 50 78 A I H X S+ 0 0 67 -4,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.960 106.4 40.1 -56.2 -50.0 -7.6 27.0 -39.1 51 79 A X H ><>S+ 0 0 0 -4,-0.9 5,-2.1 -3,-0.3 3,-0.8 0.930 115.2 50.8 -63.1 -47.9 -8.3 24.9 -36.0 52 80 A V H ><5S+ 0 0 46 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.898 107.4 53.7 -60.0 -39.6 -9.8 21.9 -37.9 53 81 A D H 3<5S+ 0 0 111 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.738 106.9 53.0 -66.0 -24.1 -6.8 21.8 -40.3 54 82 A A T <<5S- 0 0 55 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.492 124.4-103.7 -90.3 -4.7 -4.5 21.7 -37.2 55 83 A G T < 5S+ 0 0 58 -3,-1.3 2,-0.4 -4,-0.5 -3,-0.2 0.456 76.4 137.0 97.9 5.9 -6.4 18.7 -35.8 56 84 A V < - 0 0 10 -5,-2.1 -1,-0.4 -6,-0.2 -28,-0.2 -0.659 51.3-137.1 -84.7 135.8 -8.3 20.6 -33.2 57 85 A V E -b 28 0A 36 -30,-2.4 -28,-2.7 -2,-0.4 2,-0.4 -0.845 21.0-154.3 -88.8 106.8 -12.0 19.8 -32.7 58 86 A P E -b 29 0A 0 0, 0.0 65,-2.3 0, 0.0 66,-0.6 -0.717 10.9-170.5 -84.4 140.0 -13.8 23.2 -32.3 59 87 A V E -bc 30 124A 0 -30,-2.6 -28,-2.7 -2,-0.4 2,-0.5 -0.972 15.9-131.6-130.7 137.7 -17.1 23.1 -30.4 60 88 A A E -bc 31 125A 0 64,-2.8 66,-2.9 -2,-0.4 2,-0.3 -0.827 12.5-133.2-100.8 125.4 -19.6 26.0 -30.1 61 89 A Y E + c 0 126A 14 -30,-2.7 -28,-0.4 -2,-0.5 2,-0.4 -0.571 28.1 178.2 -63.4 129.4 -21.0 27.2 -26.9 62 90 A V E - c 0 127A 0 64,-3.0 66,-2.2 -2,-0.3 2,-0.8 -0.941 22.8-146.6-139.3 120.7 -24.8 27.7 -27.1 63 91 A N E + c 0 128A 1 -2,-0.4 66,-0.2 64,-0.2 5,-0.1 -0.782 24.7 169.0 -81.3 107.8 -26.9 28.8 -24.1 64 92 A I S S+ 0 0 0 64,-2.0 65,-0.2 -2,-0.8 -1,-0.1 0.438 70.5 56.6 -98.8 -3.0 -30.3 27.0 -24.7 65 93 A G S S+ 0 0 0 63,-0.8 34,-1.6 1,-0.2 2,-0.3 0.455 110.5 32.4-109.4 -4.2 -31.7 27.8 -21.2 66 94 A Q E S-F 98 0C 0 32,-0.2 2,-0.3 62,-0.2 32,-0.2 -0.992 73.5-120.2-151.8 147.8 -31.4 31.6 -21.2 67 95 A A E -F 97 0C 0 30,-2.9 30,-2.9 -2,-0.3 2,-0.5 -0.758 23.5-150.2 -86.9 140.4 -31.6 34.5 -23.6 68 96 A E E > -F 96 0C 3 -2,-0.3 3,-2.1 28,-0.2 6,-0.2 -0.967 8.4-143.9-118.6 117.8 -28.5 36.7 -23.8 69 97 A D T 3 S+ 0 0 54 26,-2.6 27,-0.1 -2,-0.5 -1,-0.1 0.448 94.7 58.3 -69.7 -1.5 -29.2 40.3 -24.7 70 98 A Y T 3 S+ 0 0 101 25,-0.1 -31,-0.3 -33,-0.0 -1,-0.3 0.405 85.8 106.4-102.2 -0.9 -26.0 40.8 -26.9 71 99 A R S X S- 0 0 10 -3,-2.1 3,-1.6 -33,-0.1 -33,-0.1 -0.331 84.7-107.6 -79.7 161.7 -26.9 38.0 -29.3 72 100 A F T 3 S+ 0 0 40 1,-0.3 -1,-0.1 -35,-0.2 -34,-0.1 0.735 115.6 56.8 -56.5 -30.3 -28.2 38.4 -32.9 73 101 A Y T 3 S+ 0 0 17 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.584 77.1 115.1 -82.8 -9.5 -31.7 37.3 -31.9 74 102 A W < - 0 0 36 -3,-1.6 2,-0.5 -6,-0.2 -5,-0.0 -0.416 48.8-161.0 -72.5 128.7 -32.3 40.0 -29.2 75 103 A K > - 0 0 98 -2,-0.2 3,-2.0 1,-0.1 4,-0.2 -0.947 20.2-144.2-113.4 131.1 -35.1 42.4 -30.1 76 104 A E T >> S+ 0 0 154 -2,-0.5 3,-1.4 1,-0.3 4,-0.6 0.740 99.1 70.2 -57.7 -28.8 -35.6 45.8 -28.4 77 105 A S H 3> S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.619 80.1 78.7 -65.5 -15.4 -39.3 45.4 -28.6 78 106 A W H <4 S+ 0 0 7 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.732 88.6 56.3 -64.4 -21.3 -38.9 42.6 -25.9 79 107 A Y H <4 S+ 0 0 120 -3,-1.4 3,-0.4 -4,-0.2 -1,-0.2 0.959 119.6 27.7 -72.4 -48.7 -38.6 45.4 -23.3 80 108 A T H < S+ 0 0 129 -4,-0.6 2,-0.3 1,-0.3 -2,-0.2 0.711 135.2 31.4 -89.1 -24.4 -41.9 47.0 -24.2 81 109 A N S < S- 0 0 78 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.703 85.1-163.5-135.3 76.4 -43.7 43.9 -25.5 82 110 A T - 0 0 79 -3,-0.4 -4,-0.1 -2,-0.3 -3,-0.1 -0.496 17.9-124.8 -75.7 122.2 -42.3 41.1 -23.5 83 111 A P > - 0 0 21 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.364 21.3-121.2 -59.5 143.8 -42.8 37.6 -24.8 84 112 A E T 3 S+ 0 0 55 1,-0.3 -2,-0.1 15,-0.0 16,-0.0 0.802 113.4 55.7 -57.2 -30.2 -44.5 35.2 -22.3 85 113 A W T 3 S+ 0 0 8 14,-0.1 15,-2.3 1,-0.1 2,-0.9 0.567 85.2 95.4 -79.7 -7.9 -41.4 32.9 -22.5 86 114 A L E < -G 99 0C 19 -3,-2.0 13,-0.2 13,-0.2 12,-0.1 -0.751 60.8-178.0 -93.8 107.1 -39.0 35.7 -21.7 87 115 A G E - 0 0 22 11,-2.3 12,-0.1 -2,-0.9 -20,-0.1 0.022 29.3 -48.3 -93.2-165.6 -38.3 35.5 -17.9 88 116 A E E - 0 0 99 9,-0.1 10,-2.4 1,-0.1 -1,-0.2 -0.209 60.0 -95.8 -72.3 154.0 -36.4 37.4 -15.3 89 117 A E E -G 97 0C 81 8,-0.3 8,-0.3 1,-0.1 -1,-0.1 -0.427 41.0-110.5 -66.0 138.3 -32.7 38.4 -15.5 90 118 A D E > -G 93 0C 8 6,-2.9 3,-0.9 3,-0.5 6,-0.3 -0.610 21.2-149.3 -72.8 115.4 -30.2 36.0 -13.9 91 119 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.703 98.1 48.5 -64.1 -19.7 -28.9 37.8 -10.8 92 120 A A T 3 S+ 0 0 69 1,-0.2 -2,-0.1 4,-0.0 -3,-0.0 0.606 118.7 39.2 -89.7 -17.9 -25.5 36.0 -11.2 93 121 A W E X S- G 0 90C 110 -3,-0.9 3,-2.4 3,-0.2 -3,-0.5 -0.705 80.1-149.6-134.7 86.2 -25.2 36.8 -15.0 94 122 A P E 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.180 86.9 28.2 -50.2 137.9 -26.4 40.3 -15.9 95 123 A G E 3 S+ 0 0 7 1,-0.3 -26,-2.6 -27,-0.1 2,-0.4 0.203 98.1 104.6 87.4 -19.0 -27.7 40.3 -19.5 96 124 A N E < -F 68 0C 15 -3,-2.4 -6,-2.9 -6,-0.3 2,-0.4 -0.821 52.1-167.2 -90.7 136.7 -28.9 36.6 -19.3 97 125 A Y E -FG 67 89C 35 -30,-2.9 -30,-2.9 -2,-0.4 -8,-0.3 -0.989 23.9-117.0-127.4 130.0 -32.6 36.0 -18.9 98 126 A F E -F 66 0C 13 -10,-2.4 -11,-2.3 -2,-0.4 2,-0.4 -0.362 36.4-156.5 -59.6 135.4 -34.2 32.7 -18.0 99 127 A V E - G 0 86C 0 -34,-1.6 2,-1.7 -13,-0.2 -13,-0.2 -0.941 28.5-121.1-120.0 145.9 -36.5 31.5 -20.8 100 128 A K > - 0 0 15 -15,-2.3 3,-2.2 -2,-0.4 6,-0.3 -0.634 39.1-171.0 -72.5 85.6 -39.5 29.1 -20.9 101 129 A Y T 3 S+ 0 0 0 -2,-1.7 -1,-0.2 1,-0.3 -35,-0.1 0.509 71.6 69.9 -70.8 -7.3 -37.5 27.0 -23.4 102 130 A W T 3 S+ 0 0 17 4,-0.1 -1,-0.3 5,-0.0 2,-0.3 0.483 75.0 103.4 -86.0 -10.2 -40.4 24.8 -24.3 103 131 A Y S <> S- 0 0 28 -3,-2.2 4,-2.0 1,-0.1 3,-0.4 -0.597 79.5-124.9 -77.3 140.3 -42.2 27.6 -26.2 104 132 A N H > S+ 0 0 62 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.849 106.2 58.9 -50.3 -43.7 -41.9 27.3 -30.0 105 133 A E H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 107.6 44.1 -61.5 -47.2 -40.4 30.8 -30.4 106 134 A W H > S+ 0 0 0 -3,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.924 112.1 52.2 -64.0 -43.6 -37.4 30.1 -28.2 107 135 A K H X S+ 0 0 22 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.965 111.4 48.3 -57.2 -46.0 -36.7 26.7 -29.8 108 136 A E H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.866 107.4 54.6 -66.1 -36.7 -36.8 28.4 -33.2 109 137 A I H X S+ 0 0 17 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.958 111.2 46.8 -54.2 -50.9 -34.4 31.1 -32.0 110 138 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.863 109.3 51.1 -62.6 -41.4 -32.0 28.4 -31.0 111 139 A F H X S+ 0 0 8 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.879 108.6 53.6 -61.4 -38.0 -32.3 26.4 -34.2 112 140 A S H X S+ 0 0 34 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.818 109.5 49.1 -62.4 -35.2 -31.5 29.7 -36.0 113 141 A Y H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 3,-0.4 0.917 110.9 48.6 -65.9 -51.0 -28.5 29.9 -33.8 114 142 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.864 103.1 63.3 -56.5 -39.3 -27.5 26.3 -34.7 115 143 A D H X S+ 0 0 38 -4,-2.6 4,-1.7 1462,-0.2 -1,-0.2 0.909 107.9 41.7 -49.1 -46.4 -28.0 27.1 -38.4 116 144 A R H X S+ 0 0 68 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.2 0.869 111.0 55.5 -71.8 -41.7 -25.1 29.6 -38.2 117 145 A V H <>S+ 0 0 0 -4,-1.9 5,-1.7 2,-0.2 4,-0.4 0.866 108.9 48.0 -59.3 -41.3 -22.9 27.4 -36.0 118 146 A I H ><5S+ 0 0 9 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.931 109.6 52.0 -65.4 -48.5 -23.2 24.6 -38.6 119 147 A D H 3<5S+ 0 0 106 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.808 102.6 60.9 -61.6 -29.9 -22.3 26.9 -41.5 120 148 A Q T 3<5S- 0 0 10 -4,-1.6 -1,-0.3 -5,-0.1 -72,-0.2 0.669 118.1-111.3 -67.1 -19.3 -19.3 28.1 -39.6 121 149 A G T < 5 + 0 0 24 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.658 55.5 165.6 93.5 19.9 -17.8 24.6 -39.6 122 150 A F < - 0 0 5 -5,-1.7 -1,-0.2 1,-0.1 -63,-0.2 -0.433 29.4-153.6 -67.3 142.0 -18.1 23.8 -35.9 123 151 A K S S+ 0 0 93 -65,-2.3 47,-2.3 1,-0.1 2,-0.3 0.420 71.1 12.5 -99.2 -0.8 -17.7 20.1 -35.2 124 152 A G E -cd 59 170A 0 -66,-0.6 -64,-2.8 45,-0.2 2,-0.3 -0.989 61.4-130.1-165.3 168.7 -19.8 20.2 -32.0 125 153 A I E -cd 60 171A 0 45,-2.7 47,-2.0 -2,-0.3 2,-0.5 -0.960 9.8-155.9-129.2 145.3 -22.2 22.1 -29.7 126 154 A Y E -cd 61 172A 0 -66,-2.9 -64,-3.0 -2,-0.3 2,-0.8 -0.983 18.2-148.7-128.5 112.4 -21.9 22.7 -26.0 127 155 A L E -cd 62 173A 0 45,-2.6 47,-2.4 -2,-0.5 3,-0.5 -0.766 12.4-163.7-105.3 108.8 -25.2 23.3 -24.5 128 156 A D E +c 63 0A 12 -66,-2.2 -64,-2.0 -2,-0.8 -63,-0.8 -0.508 61.1 26.3 -92.5 151.8 -25.5 25.6 -21.5 129 157 A R > + 0 0 33 45,-0.3 3,-1.7 -2,-0.2 -1,-0.2 0.694 56.2 146.6 67.2 32.8 -28.3 26.1 -18.9 130 158 A I T > + 0 0 4 44,-0.7 3,-2.3 -3,-0.5 4,-0.2 0.882 68.6 73.7 -37.1 -49.7 -29.8 22.7 -19.1 131 159 A D T >> + 0 0 50 43,-0.4 4,-1.2 1,-0.3 3,-0.6 0.417 64.3 93.7 -62.0 3.5 -30.4 23.5 -15.4 132 160 A S H <> S+ 0 0 0 -3,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.733 73.5 70.2 -63.4 -19.5 -33.1 25.9 -16.4 133 161 A F H <> S+ 0 0 0 -3,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.926 100.9 44.6 -62.4 -37.4 -35.3 22.9 -15.9 134 162 A E H <> S+ 0 0 32 -3,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.825 107.6 59.1 -71.8 -34.7 -34.5 23.3 -12.2 135 163 A Y H X S+ 0 0 30 -4,-1.2 4,-2.0 2,-0.2 5,-0.2 0.986 110.1 40.7 -59.2 -55.1 -35.1 27.2 -12.3 136 164 A W H X>S+ 0 0 11 -4,-2.0 5,-2.2 1,-0.2 4,-0.6 0.873 116.5 49.7 -65.2 -35.6 -38.7 26.9 -13.5 137 165 A A H ><5S+ 0 0 20 -4,-1.6 3,-1.2 -5,-0.3 -1,-0.2 0.930 110.6 50.7 -66.5 -46.4 -39.5 24.0 -11.2 138 166 A Q H 3<5S+ 0 0 150 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.803 108.4 52.4 -61.9 -29.2 -37.9 25.9 -8.3 139 167 A E H 3<5S- 0 0 94 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.586 112.4-122.4 -78.3 -12.6 -40.2 28.9 -9.2 140 168 A G T <<5S+ 0 0 8 -3,-1.2 -3,-0.2 -4,-0.6 837,-0.2 0.616 74.2 128.7 84.2 17.1 -43.2 26.7 -9.1 141 169 A V S - 0 0 3 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.298 38.1-118.0 -69.8 160.0 -43.7 20.6 -12.3 144 172 A R H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.880 116.4 50.1 -66.2 -38.3 -40.1 19.4 -12.1 145 173 A R H > S+ 0 0 125 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.909 111.8 48.4 -66.4 -43.3 -41.0 16.3 -14.2 146 174 A S H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.952 113.2 47.2 -60.6 -45.8 -42.6 18.5 -16.8 147 175 A A H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.875 114.6 47.5 -63.3 -40.9 -39.7 20.9 -16.9 148 176 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.927 112.5 47.3 -66.6 -49.5 -37.2 18.0 -17.1 149 177 A R H X S+ 0 0 63 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.884 110.5 52.9 -61.2 -39.4 -39.1 16.2 -19.9 150 178 A K H X S+ 0 0 49 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.846 111.4 46.4 -63.8 -34.5 -39.5 19.4 -21.9 151 179 A X H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.851 110.8 51.2 -77.4 -37.4 -35.7 20.0 -21.6 152 180 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.949 112.8 47.3 -60.0 -49.3 -34.8 16.4 -22.6 153 181 A N H X S+ 0 0 67 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.905 109.8 52.4 -62.1 -40.8 -37.1 16.7 -25.6 154 182 A F H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.912 109.0 49.6 -61.4 -45.1 -35.6 20.1 -26.6 155 183 A V H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.868 111.0 50.7 -61.4 -36.5 -32.1 18.6 -26.5 156 184 A L H X S+ 0 0 18 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.873 109.0 50.1 -70.0 -35.6 -33.3 15.7 -28.7 157 185 A E H X S+ 0 0 53 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.850 110.7 51.0 -69.0 -35.1 -34.9 18.1 -31.2 158 186 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.920 110.2 49.2 -60.3 -50.3 -31.6 20.0 -31.2 159 187 A A H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.921 111.8 48.2 -57.0 -47.4 -29.7 16.8 -31.9 160 188 A E H X S+ 0 0 60 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.887 111.3 51.3 -61.3 -41.4 -32.0 15.9 -34.6 161 189 A Y H X S+ 0 0 6 -4,-2.0 4,-0.9 2,-0.2 3,-0.4 0.964 115.6 39.1 -59.0 -55.7 -31.7 19.4 -36.2 162 190 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.830 115.0 51.2 -70.0 -34.0 -27.8 19.4 -36.3 163 191 A R H < S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.578 95.4 69.0 -85.9 -13.7 -27.3 15.8 -37.3 164 192 A E H < S+ 0 0 83 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.905 118.1 26.2 -58.0 -41.9 -29.7 16.1 -40.2 165 193 A R H < S+ 0 0 82 -4,-0.9 -2,-0.2 1,-0.3 -3,-0.1 0.820 139.1 24.6 -93.2 -32.6 -26.9 18.3 -41.6 166 194 A K >< - 0 0 111 -4,-2.4 3,-2.2 1,-0.1 -1,-0.3 -0.804 67.6-169.1-136.1 86.8 -23.9 17.0 -39.8 167 195 A P T 3 S+ 0 0 90 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.800 86.4 47.1 -50.8 -34.5 -24.4 13.3 -38.8 168 196 A D T 3 S+ 0 0 151 2,-0.0 -5,-0.1 -44,-0.0 -45,-0.0 0.237 78.2 145.4 -95.3 15.7 -21.3 13.2 -36.6 169 197 A X < - 0 0 3 -3,-2.2 2,-0.3 -7,-0.1 -45,-0.2 -0.301 51.5-122.1 -55.8 129.6 -21.9 16.5 -34.8 170 198 A L E -d 124 0A 38 -47,-2.3 -45,-2.7 22,-0.1 2,-0.5 -0.552 25.3-164.3 -72.6 131.1 -20.7 16.4 -31.1 171 199 A I E +d 125 0A 0 -2,-0.3 21,-2.9 -47,-0.2 22,-1.4 -0.987 13.8 170.4-122.0 119.3 -23.5 17.1 -28.6 172 200 A I E -d 126 0A 0 -47,-2.0 -45,-2.6 -2,-0.5 22,-0.2 -0.936 17.6-155.6-137.7 104.4 -22.4 18.0 -25.1 173 201 A P E -d 127 0A 1 0, 0.0 22,-4.0 0, 0.0 2,-0.5 -0.524 13.7-137.2 -70.8 149.1 -24.6 19.3 -22.4 174 202 A Q B -h 195 0D 0 -47,-2.4 -44,-0.7 20,-0.2 -43,-0.4 -0.963 62.0 -32.8-108.5 125.4 -23.1 21.3 -19.5 175 203 A N S S+ 0 0 17 20,-3.4 20,-0.1 -2,-0.5 -45,-0.1 0.048 93.7 96.0 58.1-172.1 -24.4 20.6 -16.0 176 204 A G > + 0 0 6 -46,-0.1 3,-2.0 -45,-0.1 4,-0.2 0.755 44.0 147.6 66.6 24.2 -28.1 19.4 -15.3 177 205 A E G > + 0 0 9 1,-0.3 3,-2.2 2,-0.2 4,-0.1 0.850 58.7 70.8 -66.5 -30.9 -26.9 15.8 -15.4 178 206 A N G > S+ 0 0 36 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.552 75.1 84.6 -59.8 -9.1 -29.5 14.9 -12.8 179 207 A I G X S+ 0 0 1 -3,-2.0 3,-2.4 1,-0.2 -1,-0.3 0.780 71.0 79.0 -58.5 -26.9 -32.1 15.4 -15.6 180 208 A L G X S+ 0 0 26 -3,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.649 73.2 75.8 -60.2 -14.5 -31.2 11.8 -16.5 181 209 A D G < S+ 0 0 92 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.749 101.9 41.7 -60.1 -25.1 -33.5 10.7 -13.6 182 210 A F G < S+ 0 0 23 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.397 94.6 106.6-105.0 0.3 -36.3 11.6 -16.1 183 211 A D < - 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i 0 228D 0 -22,-1.4 -1,-0.3 34,-0.3 2,-0.3 -0.912 60.7-115.4-163.1-172.2 -20.5 13.5 -23.9 194 222 A W E - i 0 229D 1 34,-2.2 36,-2.4 -2,-0.3 2,-0.4 -0.995 16.2-149.6-140.7 144.2 -21.4 15.7 -20.9 195 223 A A E -hi 174 230D 0 -22,-4.0 -20,-3.4 -2,-0.3 2,-0.4 -0.896 11.3-169.7-115.1 148.5 -19.7 18.6 -19.3 196 224 A V E - i 0 231D 0 34,-2.0 36,-2.2 -2,-0.4 2,-0.3 -1.000 9.6-155.7-138.9 133.7 -19.7 19.7 -15.7 197 225 A E E S+ i 0 232D 31 -2,-0.4 36,-0.2 1,-0.2 5,-0.0 -0.835 78.0 18.1 -99.7 145.4 -18.6 22.8 -13.8 198 226 A N S S+ 0 0 46 34,-1.4 -1,-0.2 -2,-0.3 35,-0.2 0.956 72.5 146.3 65.2 56.4 -17.7 22.8 -10.1 199 227 A L S S+ 0 0 0 -3,-0.2 16,-0.1 33,-0.1 17,-0.1 0.892 80.7 5.7 -94.6 -44.4 -17.2 19.0 -9.6 200 228 A F S S+ 0 0 10 1,-0.3 7,-3.0 6,-0.1 2,-0.3 0.716 135.8 28.3-109.8 -29.3 -14.5 18.8 -7.0 201 229 A Y E -K 206 0E 15 5,-0.3 2,-0.7 11,-0.0 -1,-0.3 -0.971 60.7-143.2-128.3 145.0 -14.1 22.5 -6.1 202 230 A L E > S-K 205 0E 95 3,-3.4 3,-2.1 -2,-0.3 2,-0.3 -0.941 85.2 -51.4 -99.7 106.3 -16.4 25.5 -6.2 203 231 A K T 3 S- 0 0 96 -2,-0.7 62,-0.1 1,-0.3 65,-0.1 -0.513 124.5 -20.7 50.7-117.1 -13.8 28.0 -7.4 204 232 A T T 3 S+ 0 0 41 -2,-0.3 -1,-0.3 63,-0.1 31,-0.1 0.491 122.1 92.8 -95.0 -2.5 -10.9 27.4 -4.9 205 233 A I E < S-K 202 0E 106 -3,-2.1 -3,-3.4 1,-0.0 30,-0.0 -0.799 77.2-123.9 -97.9 125.3 -13.1 25.8 -2.2 206 234 A P E -K 201 0E 79 0, 0.0 -5,-0.3 0, 0.0 2,-0.1 -0.302 23.0-125.8 -69.0 146.3 -13.4 22.0 -2.2 207 235 A L - 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