==== 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 SIGNALING PROTEIN 09-JUL-06 2DSZ . COMPND 2 MOLECULE: CHITINASE-3-LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CAPRA HIRCUS; . AUTHOR J.KUMAR,A.S.ETHAYATHULLA,N.SINGH,R.UJWAL,D.B.SRIVASTAVA,S.SH . 361 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 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 . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 1 0 2 0 1 2 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 4 1 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 3 2 1 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 . 1 0 0 0 1 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 1 A Y 0 0 135 0, 0.0 2,-0.3 0, 0.0 325,-0.2 0.000 360.0 360.0 360.0 139.9 15.2 14.9 57.9 2 2 A K E -a 326 0A 73 323,-2.5 325,-2.1 29,-0.1 2,-0.5 -0.673 360.0-165.1 -91.5 143.9 15.6 11.4 56.5 3 3 A L E -a 327 0A 7 -2,-0.3 29,-1.9 323,-0.2 28,-1.8 -0.864 11.3-168.0-128.5 93.5 16.2 10.7 52.8 4 4 A I E -ab 328 32A 0 323,-2.9 325,-3.4 -2,-0.5 2,-0.5 -0.753 6.6-173.2 -89.1 119.6 15.5 7.0 52.2 5 5 A a E -ab 329 33A 0 27,-3.1 29,-3.0 -2,-0.6 2,-0.3 -0.952 12.5-146.3-121.6 127.6 16.7 5.8 48.8 6 6 A Y E - b 0 34A 4 323,-2.3 326,-2.5 -2,-0.5 325,-0.4 -0.664 8.3-166.6 -89.1 139.0 16.1 2.4 47.2 7 7 A Y E - b 0 35A 0 27,-3.2 29,-2.1 -2,-0.3 2,-0.4 -0.984 16.3-140.5-120.8 134.1 18.7 0.6 45.0 8 8 A T E > - b 0 36A 1 -2,-0.4 3,-1.1 27,-0.2 29,-0.2 -0.845 5.9-143.2-105.2 135.6 17.5 -2.3 42.9 9 9 A S G > S+ 0 0 1 27,-3.0 3,-1.1 -2,-0.4 28,-0.1 0.851 97.0 54.8 -53.3 -46.8 19.5 -5.5 42.3 10 10 A W G > S+ 0 0 79 1,-0.2 3,-1.4 26,-0.2 -1,-0.2 0.542 83.0 84.7 -72.3 -7.8 18.5 -6.1 38.7 11 11 A S G X S+ 0 0 0 -3,-1.1 9,-1.2 1,-0.3 3,-0.8 0.636 76.0 73.4 -71.1 -9.2 19.5 -2.7 37.5 12 12 A Q G < S+ 0 0 13 -3,-1.1 -1,-0.3 7,-0.2 -2,-0.1 0.761 90.0 59.4 -71.9 -24.2 23.0 -4.1 37.0 13 13 A Y G < S+ 0 0 111 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.2 0.501 75.9 113.8 -84.6 -6.1 21.8 -6.1 34.0 14 14 A R S < S- 0 0 28 -3,-0.8 5,-0.4 4,-0.2 252,-0.1 -0.454 73.0-107.0 -69.4 137.9 20.7 -3.0 31.9 15 15 A E > - 0 0 100 250,-0.3 3,-1.9 3,-0.2 4,-0.2 -0.226 69.2 -24.9 -67.5 152.9 22.7 -2.5 28.8 16 16 A G G > S- 0 0 61 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 -0.107 132.6 -1.5 50.0-136.3 25.3 0.3 28.3 17 17 A D G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 321,-0.1 0.675 123.6 74.5 -58.2 -19.6 24.8 3.4 30.4 18 18 A G G < S+ 0 0 0 -3,-1.9 -1,-0.3 -5,-0.1 -4,-0.2 0.791 72.3 102.7 -65.9 -27.7 21.7 1.8 31.9 19 19 A S < - 0 0 23 -3,-1.8 2,-0.4 -5,-0.4 -7,-0.2 -0.300 52.8-175.4 -59.0 135.9 23.8 -0.5 34.0 20 20 A C - 0 0 4 -9,-1.2 -6,-0.1 -12,-0.1 -7,-0.1 -0.964 10.8-179.9-144.1 123.9 24.0 0.6 37.7 21 21 A F > - 0 0 82 -2,-0.4 3,-2.2 -9,-0.1 4,-0.4 -0.810 49.7-100.6-116.6 159.2 26.0 -0.8 40.6 22 22 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.783 116.7 79.6 -45.5 -27.2 26.1 0.4 44.3 23 23 A D G 3 S+ 0 0 130 1,-0.3 -3,-0.0 3,-0.0 32,-0.0 0.840 83.2 56.2 -47.3 -47.8 29.4 1.9 43.0 24 24 A A G < S+ 0 0 41 -3,-2.2 2,-0.4 2,-0.1 -1,-0.3 0.575 82.5 114.0 -68.2 -11.3 27.6 4.9 41.3 25 25 A I < - 0 0 4 -3,-1.8 308,-0.0 -4,-0.4 312,-0.0 -0.494 68.5-130.0 -74.0 124.3 25.9 6.0 44.5 26 26 A D >> - 0 0 61 -2,-0.4 3,-1.3 1,-0.2 4,-0.7 -0.584 16.3-148.5 -69.0 116.8 26.9 9.3 46.1 27 27 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 0.745 94.3 47.2 -60.1 -27.5 27.6 8.4 49.7 28 28 A F T 34 S+ 0 0 103 1,-0.1 -2,-0.1 41,-0.1 -3,-0.0 0.460 92.9 81.2 -96.8 -0.6 26.4 11.8 51.0 29 29 A L T <4 S+ 0 0 6 -3,-1.3 2,-0.2 2,-0.0 -1,-0.1 0.975 95.6 28.5 -68.3 -58.7 23.2 12.0 49.0 30 30 A a < - 0 0 4 -4,-0.7 -26,-0.2 1,-0.1 3,-0.1 -0.543 60.2-144.0-103.6 166.5 20.9 9.9 51.1 31 31 A T S S+ 0 0 51 -28,-1.8 39,-2.3 1,-0.3 2,-0.4 0.695 93.9 25.9 -96.5 -27.0 20.8 9.2 54.9 32 32 A H E -bc 4 70A 19 -29,-1.9 -27,-3.1 37,-0.2 2,-0.5 -0.999 64.1-164.5-140.0 135.0 19.6 5.6 54.2 33 33 A V E -bc 5 71A 3 37,-2.2 39,-2.3 -2,-0.4 2,-0.5 -0.980 11.2-158.0-120.0 127.7 20.1 3.3 51.2 34 34 A I E -bc 6 72A 0 -29,-3.0 -27,-3.2 -2,-0.5 2,-0.4 -0.931 7.5-145.1-110.0 128.1 17.9 0.3 50.9 35 35 A Y E -bc 7 73A 0 37,-2.9 39,-3.0 -2,-0.5 2,-0.4 -0.755 27.4-118.9 -89.2 132.0 19.0 -2.7 48.8 36 36 A S E +bc 8 74A 0 -29,-2.1 -27,-3.0 -2,-0.4 -26,-0.2 -0.986 66.3 8.1-125.6 133.2 16.2 -4.6 47.0 37 37 A F E + 0 0 15 37,-0.6 38,-0.2 -2,-0.4 -1,-0.2 0.639 43.2 178.0-134.2 157.1 15.4 -7.3 47.4 38 38 A A E - c 0 75A 0 36,-4.3 38,-1.4 -3,-0.2 2,-0.2 -0.563 28.0-145.9 -89.5 162.7 16.3 -10.1 49.8 39 39 A N E -I 46 0B 29 7,-3.2 7,-3.2 -2,-0.2 2,-0.4 -0.674 6.1-122.4-122.8 176.2 14.5 -13.5 49.4 40 40 A I E +I 45 0B 9 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.981 26.6 171.8-129.4 123.5 13.3 -16.3 51.6 41 41 A S E > S-I 44 0B 46 3,-2.5 3,-1.9 -2,-0.4 -2,-0.0 -0.990 74.8 -4.4-128.3 136.2 14.3 -19.9 51.4 42 42 A N T 3 S- 0 0 149 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.905 129.5 -59.8 45.1 49.6 13.4 -22.6 54.0 43 43 A N T 3 S+ 0 0 57 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.734 117.2 111.4 50.9 30.8 11.8 -19.8 56.1 44 44 A E E < S-I 41 0B 100 -3,-1.9 -3,-2.5 57,-0.1 -1,-0.2 -0.985 76.9-103.9-132.4 141.9 15.2 -18.0 56.3 45 45 A I E +I 40 0B 6 53,-0.4 2,-0.3 -2,-0.4 -5,-0.2 -0.381 52.0 169.9 -62.4 138.9 16.3 -14.7 54.8 46 46 A D E -I 39 0B 67 -7,-3.2 -7,-3.2 -2,-0.0 -1,-0.0 -0.951 34.7 -87.2-148.7 166.4 18.5 -15.4 51.8 47 47 A T - 0 0 36 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.202 25.4-162.8 -69.7 166.3 20.2 -13.7 48.8 48 48 A W + 0 0 98 1,-0.3 2,-0.2 -11,-0.1 -1,-0.1 0.734 68.1 52.1-116.3 -58.6 18.5 -13.2 45.5 49 49 A E S > S- 0 0 26 -12,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.602 85.1-118.0 -84.9 147.3 21.1 -12.5 42.7 50 50 A W T 3 S+ 0 0 203 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.834 116.0 39.2 -51.1 -36.4 24.0 -14.8 42.3 51 51 A N T >> S+ 0 0 19 1,-0.2 4,-2.1 2,-0.1 3,-1.1 0.162 76.9 115.9-104.2 20.3 26.4 -11.9 43.1 52 52 A D H <> S+ 0 0 0 -3,-2.1 4,-3.3 1,-0.3 5,-0.2 0.883 73.8 59.6 -53.6 -42.8 24.4 -10.2 45.9 53 53 A V H 3> S+ 0 0 77 -4,-0.3 4,-1.3 -3,-0.3 -1,-0.3 0.825 108.4 45.6 -56.4 -32.5 27.1 -11.0 48.4 54 54 A T H <> S+ 0 0 88 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.901 115.0 45.6 -77.5 -42.4 29.5 -9.0 46.2 55 55 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.817 107.9 58.1 -70.0 -30.3 27.1 -6.1 45.8 56 56 A Y H X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.2 -1,-0.2 0.957 109.8 44.6 -60.6 -51.0 26.2 -6.1 49.5 57 57 A D H X S+ 0 0 108 -4,-1.3 4,-1.0 -5,-0.2 -2,-0.2 0.886 112.6 50.9 -60.4 -43.0 29.9 -5.5 50.2 58 58 A T H >X S+ 0 0 31 -4,-2.1 3,-0.8 1,-0.2 4,-0.7 0.954 111.9 48.0 -60.5 -49.6 30.2 -2.9 47.5 59 59 A L H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.901 111.7 48.7 -57.6 -46.7 27.1 -1.0 48.9 60 60 A N H >< S+ 0 0 21 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.603 95.4 71.3 -75.2 -9.8 28.4 -1.1 52.5 61 61 A T H XX S+ 0 0 56 -4,-1.0 3,-3.4 -3,-0.8 4,-0.6 0.814 81.8 74.8 -72.7 -26.9 31.9 0.2 51.6 62 62 A L H XX S+ 0 0 14 -3,-0.9 4,-2.1 -4,-0.7 3,-0.9 0.764 83.2 68.8 -53.3 -24.6 30.2 3.6 50.9 63 63 A K H <4 S+ 0 0 44 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.601 86.4 65.9 -72.2 -9.6 30.0 3.8 54.7 64 64 A N H <4 S+ 0 0 138 -3,-3.4 -1,-0.2 1,-0.1 -2,-0.2 0.790 109.1 38.7 -77.7 -29.9 33.8 4.1 54.7 65 65 A R H << S+ 0 0 162 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.1 0.845 127.3 33.2 -86.7 -39.1 33.3 7.5 53.0 66 66 A N >< - 0 0 18 -4,-2.1 3,-1.2 1,-0.1 -1,-0.3 -0.877 66.6-170.0-123.8 97.4 30.2 8.6 54.9 67 67 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.665 86.6 52.8 -56.5 -23.4 30.3 7.3 58.5 68 68 A K T 3 S+ 0 0 168 2,-0.1 -5,-0.1 0, 0.0 -40,-0.0 0.668 80.0 113.7 -91.2 -17.5 26.6 8.3 59.1 69 69 A L < - 0 0 3 -3,-1.2 2,-0.4 -7,-0.2 -37,-0.2 -0.306 52.0-157.3 -58.0 130.1 25.2 6.5 56.1 70 70 A K E -c 32 0A 56 -39,-2.3 -37,-2.2 -2,-0.0 2,-0.3 -0.881 3.9-158.4-111.3 143.6 22.8 3.7 57.1 71 71 A T E -c 33 0A 0 -2,-0.4 41,-2.1 -39,-0.2 42,-0.8 -0.909 7.2-173.2-123.1 150.6 21.9 0.7 54.9 72 72 A L E -cd 34 113A 0 -39,-2.3 -37,-2.9 -2,-0.3 2,-0.5 -0.963 18.4-137.5-137.9 154.3 19.0 -1.7 55.0 73 73 A L E -cd 35 114A 0 40,-1.8 42,-2.9 -2,-0.3 2,-0.4 -0.943 22.4-141.1-111.4 132.7 18.2 -4.8 53.1 74 74 A S E -cd 36 115A 0 -39,-3.0 -36,-4.3 -2,-0.5 -37,-0.6 -0.828 7.7-154.4-100.0 134.1 14.6 -5.2 51.9 75 75 A V E +cd 38 116A 0 40,-2.9 42,-2.9 -2,-0.4 2,-0.5 -0.886 63.6 13.6-103.8 135.8 12.7 -8.5 52.0 76 76 A G E + d 0 117A 1 -38,-1.4 3,-0.2 -2,-0.4 42,-0.2 -0.922 60.1 171.1 113.8-125.7 9.8 -9.1 49.6 77 77 A G > - 0 0 0 40,-2.2 3,-0.7 -2,-0.5 42,-0.4 -0.350 56.3 -65.9 98.3 177.8 9.1 -6.9 46.5 78 78 A W T 3 S+ 0 0 107 1,-0.2 -1,-0.2 -2,-0.1 40,-0.0 0.759 130.6 55.0 -78.0 -27.1 6.6 -7.4 43.7 79 79 A N T 3 S+ 0 0 136 -3,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.332 92.9 88.6 -86.3 9.5 8.2 -10.5 42.2 80 80 A F S < S- 0 0 2 -3,-0.7 39,-0.3 39,-0.1 5,-0.1 -0.904 92.0-116.3-109.8 103.4 7.9 -12.0 45.6 81 81 A G >> - 0 0 15 -2,-0.7 4,-1.3 1,-0.2 3,-0.6 -0.079 11.1-144.2 -43.1 122.8 4.5 -13.7 45.9 82 82 A P H 3> S+ 0 0 41 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.842 102.8 58.0 -56.8 -35.2 2.3 -12.1 48.6 83 83 A E H 3> S+ 0 0 121 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.862 98.9 58.2 -63.2 -39.0 1.0 -15.6 49.4 84 84 A R H <> S+ 0 0 95 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.903 110.5 42.7 -58.1 -42.2 4.5 -16.7 50.2 85 85 A F H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.929 112.3 54.4 -68.4 -45.4 4.7 -14.0 52.8 86 86 A S H X S+ 0 0 28 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.877 108.6 49.1 -55.2 -41.7 1.2 -14.8 54.0 87 87 A K H X S+ 0 0 131 -4,-3.0 4,-0.9 2,-0.2 -1,-0.2 0.850 111.1 48.8 -68.8 -36.8 2.2 -18.4 54.5 88 88 A I H < S+ 0 0 16 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 114.0 45.7 -69.7 -42.8 5.4 -17.6 56.5 89 89 A A H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.734 103.9 61.4 -74.9 -25.5 3.6 -15.2 58.8 90 90 A S H < S+ 0 0 46 -4,-1.5 2,-0.7 -5,-0.2 -1,-0.2 0.888 95.2 64.1 -70.0 -40.3 0.5 -17.3 59.6 91 91 A K S >X S- 0 0 86 -4,-0.9 4,-2.3 1,-0.1 3,-0.7 -0.776 71.2-152.3 -90.9 115.3 2.4 -20.2 61.2 92 92 A T H 3> S+ 0 0 96 -2,-0.7 4,-1.6 1,-0.2 5,-0.2 0.725 96.0 61.0 -56.2 -20.2 4.2 -19.1 64.4 93 93 A Q H 3> S+ 0 0 115 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.912 110.1 35.9 -75.0 -43.4 6.7 -21.9 63.6 94 94 A S H <> S+ 0 0 3 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.777 115.6 57.1 -80.1 -25.9 7.8 -20.5 60.3 95 95 A R H X S+ 0 0 19 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.920 108.0 45.0 -69.9 -45.2 7.6 -16.9 61.5 96 96 A R H X S+ 0 0 152 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.851 112.1 54.1 -66.8 -35.0 9.9 -17.4 64.5 97 97 A T H X S+ 0 0 37 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.927 111.1 44.3 -64.1 -46.4 12.3 -19.3 62.2 98 98 A F H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -53,-0.4 0.939 112.9 51.7 -63.2 -49.1 12.5 -16.4 59.7 99 99 A I H >< S+ 0 0 8 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.887 108.6 51.1 -55.4 -44.3 12.8 -13.8 62.5 100 100 A K H 3< S+ 0 0 134 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 106.3 55.2 -65.2 -32.2 15.7 -15.7 64.1 101 101 A S H 3X S+ 0 0 23 -4,-1.4 4,-0.9 -3,-0.4 -1,-0.2 0.633 95.3 70.1 -78.8 -13.2 17.6 -15.9 60.8 102 102 A V H S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.899 111.7 46.8 -48.1 -50.1 20.0 -10.6 62.7 104 104 A P H > S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.873 113.6 49.6 -61.6 -36.3 22.9 -12.9 61.9 105 105 A F H X S+ 0 0 30 -4,-0.9 4,-2.2 -3,-0.4 5,-0.2 0.967 113.2 44.5 -65.9 -53.9 22.5 -12.4 58.2 106 106 A L H X>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 4,-0.6 0.882 114.6 51.0 -56.6 -41.3 22.3 -8.6 58.4 107 107 A R H ><5S+ 0 0 80 -4,-2.6 3,-0.8 -5,-0.3 -1,-0.2 0.917 108.0 51.8 -64.5 -44.7 25.3 -8.6 60.8 108 108 A T H 3<5S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.929 117.0 38.0 -59.2 -47.9 27.4 -10.8 58.5 109 109 A H H 3<5S- 0 0 38 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.378 115.2-110.7 -88.6 4.3 26.9 -8.6 55.4 110 110 A G T <<5 + 0 0 30 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.833 59.7 153.8 75.1 34.4 27.0 -5.3 57.3 111 111 A F < - 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O 0 302D 79 3,-2.3 3,-3.0 -2,-0.3 2,-0.2 -0.931 68.1 -42.6-150.4 120.5 4.6 12.2 21.5 300 301 A G T 3 S- 0 0 77 -2,-0.3 -16,-0.0 1,-0.3 0, 0.0 -0.386 127.4 -21.3 57.7-121.5 2.7 10.5 18.7 301 302 A N T 3 S+ 0 0 87 -2,-0.2 -56,-3.6 -3,-0.1 2,-0.5 0.202 115.8 106.0-103.2 14.3 0.6 7.9 20.4 302 303 A Q E < -LO 244 299D 17 -3,-3.0 -3,-2.3 -58,-0.2 2,-0.5 -0.839 47.0-172.2 -99.5 130.3 2.7 7.8 23.6 303 304 A W E -LO 243 298D 0 -60,-2.6 -60,-1.8 -2,-0.5 2,-0.5 -0.985 6.2-168.1-122.6 122.5 1.4 9.4 26.8 304 305 A V E -LO 242 297D 0 -7,-3.6 -7,-2.7 -2,-0.5 2,-0.5 -0.942 12.1-164.1-122.2 122.5 3.8 9.7 29.8 305 306 A A E +LO 241 296D 0 -64,-2.8 -64,-2.6 -2,-0.5 2,-0.2 -0.857 35.3 141.6 -97.4 126.6 3.0 10.6 33.4 306 307 A Y - 0 0 7 -11,-1.6 2,-0.4 -2,-0.5 -66,-0.1 -0.829 46.1-106.5-150.0-171.4 6.1 11.5 35.4 307 308 A D - 0 0 2 -2,-0.2 2,-0.2 -68,-0.2 -13,-0.1 -0.987 28.1-173.3-128.0 135.3 7.8 13.7 38.0 308 309 A D > - 0 0 23 -2,-0.4 4,-2.3 42,-0.0 5,-0.2 -0.573 46.9 -82.1-116.8-174.6 10.4 16.5 37.3 309 310 A Q H > S+ 0 0 37 1,-0.2 4,-1.8 -2,-0.2 5,-0.2 0.880 127.8 47.0 -55.9 -39.3 12.6 18.6 39.5 310 311 A E H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 112.2 46.0 -73.1 -40.7 9.7 21.0 40.2 311 312 A S H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 115.3 49.5 -69.6 -32.7 7.0 18.5 41.0 312 313 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.847 110.6 48.0 -72.7 -36.2 9.5 16.6 43.3 313 314 A K H X S+ 0 0 69 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.857 109.9 55.9 -69.7 -36.0 10.5 19.9 45.1 314 315 A N H X S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.919 107.6 46.2 -60.3 -48.5 6.8 20.5 45.4 315 316 A K H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.881 110.1 55.5 -63.4 -38.4 6.2 17.2 47.2 316 317 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.898 107.3 47.9 -62.0 -44.2 9.2 17.8 49.4 317 318 A R H X S+ 0 0 110 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.908 111.7 50.7 -64.0 -41.4 7.8 21.1 50.7 318 319 A Y H X S+ 0 0 21 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.920 108.5 52.5 -60.1 -45.9 4.5 19.6 51.3 319 320 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 -1,-0.2 0.894 112.0 46.5 -55.6 -44.5 6.2 16.8 53.3 320 321 A K H ><5S+ 0 0 26 -4,-2.0 3,-2.1 3,-0.2 -2,-0.2 0.896 106.0 56.8 -67.9 -44.5 8.0 19.4 55.4 321 322 A N H 3<5S+ 0 0 139 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.4 47.1 -60.1 -28.4 4.9 21.6 56.1 322 323 A R T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.346 113.5-124.7 -93.3 6.2 3.2 18.5 57.5 323 324 A Q T < 5 + 0 0 151 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.869 47.0 168.9 53.2 48.0 6.4 17.8 59.5 324 325 A L < - 0 0 4 -5,-2.2 -94,-0.2 -94,-0.1 -91,-0.1 -0.381 49.7-104.5 -83.6 166.6 6.9 14.2 58.3 325 326 A A S S- 0 0 12 -96,-1.5 -323,-2.5 -93,-1.4 2,-0.3 0.824 74.6 -88.3 -60.9 -32.5 10.2 12.3 59.0 326 327 A G E -ah 2 233A 0 -94,-1.0 -92,-2.1 -325,-0.2 2,-0.3 -0.997 52.0 -46.2 160.0-153.6 11.3 12.8 55.4 327 328 A A E -ah 3 234A 0 -325,-2.1 -323,-2.9 -2,-0.3 2,-0.4 -0.800 28.8-153.1-118.8 158.6 11.2 11.4 51.9 328 329 A M E -ah 4 235A 0 -94,-2.5 -92,-3.2 -2,-0.3 2,-0.4 -0.991 14.6-153.1-127.9 136.1 11.7 8.0 50.3 329 330 A V E -ah 5 236A 2 -325,-3.4 -323,-2.3 -2,-0.4 2,-0.4 -0.946 6.9-140.4-117.2 133.2 12.9 7.7 46.7 330 331 A W E S+ h 0 237A 20 -94,-1.8 -92,-2.5 -2,-0.4 -91,-0.6 -0.939 75.6 0.1-130.1 105.9 12.2 4.8 44.3 331 332 A A >> - 0 0 0 -325,-0.4 3,-1.6 -2,-0.4 4,-0.7 0.666 36.4-170.8-146.4 162.4 14.7 4.5 42.9 332 333 A L G >4 S+ 0 0 2 -326,-2.5 3,-0.8 -3,-0.3 5,-0.2 0.851 100.2 54.8 -53.3 -40.6 18.3 5.6 42.6 333 334 A D G 34 S+ 0 0 0 -327,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.611 105.7 53.2 -72.5 -11.5 19.0 3.5 39.5 334 335 A L G <4 S+ 0 0 8 -3,-1.6 -60,-2.5 2,-0.1 -59,-0.9 0.535 95.7 80.2 -98.1 -11.1 16.0 5.1 37.7 335 336 A D S << S- 0 0 0 -3,-0.8 2,-2.4 -4,-0.7 3,-0.2 -0.368 109.8 -84.3 -84.1 171.3 17.1 8.6 38.3 336 337 A D + 0 0 0 1,-0.2 12,-2.2 -2,-0.1 -3,-0.1 -0.495 61.9 166.5 -79.0 75.4 19.8 10.1 36.0 337 338 A F S S+ 0 0 5 -2,-2.4 -1,-0.2 1,-0.2 -4,-0.1 0.822 74.8 44.3 -62.5 -34.4 22.6 8.5 38.1 338 339 A R S S- 0 0 104 -3,-0.2 -1,-0.2 -321,-0.1 -2,-0.1 0.830 100.6-140.1 -77.7 -31.5 25.4 9.1 35.5 339 340 A G S S+ 0 0 2 -4,-0.1 -2,-0.1 8,-0.0 -3,-0.1 0.743 71.8 107.3 78.8 25.9 24.0 12.6 35.0 340 341 A T + 0 0 101 1,-0.0 3,-0.2 5,-0.0 5,-0.1 0.346 67.9 55.9-115.1 3.1 24.5 12.5 31.2 341 342 A F S S+ 0 0 43 1,-0.1 2,-1.0 3,-0.1 3,-0.1 0.776 94.6 61.8-103.5 -34.7 20.9 12.2 29.9 342 343 A b S S- 0 0 9 2,-0.2 4,-0.2 4,-0.2 2,-0.2 -0.464 97.3-114.4 -98.3 66.0 19.1 15.2 31.4 343 344 A G S S+ 0 0 62 -2,-1.0 -1,-0.2 -3,-0.2 -65,-0.0 -0.261 95.7 78.6 47.5-108.0 20.8 18.3 30.1 344 345 A Q S S- 0 0 109 1,-0.2 -2,-0.2 -2,-0.2 -3,-0.1 0.052 86.2-129.4 -31.9 120.0 22.3 19.8 33.3 345 346 A N + 0 0 156 -5,-0.1 -1,-0.2 -4,-0.1 2,-0.2 0.311 66.8 132.5 -62.1 11.6 25.4 17.7 33.9 346 347 A L - 0 0 69 -4,-0.2 2,-0.3 1,-0.1 -4,-0.2 -0.435 56.2-129.3 -71.1 137.8 24.1 17.2 37.5 347 348 A T S S+ 0 0 53 1,-0.2 -10,-0.2 -2,-0.2 5,-0.1 -0.660 86.5 6.0 -87.7 141.2 24.1 13.7 38.9 348 349 A F S > S- 0 0 3 -12,-2.2 4,-2.6 -2,-0.3 5,-0.3 0.956 76.4-177.0 49.8 58.9 20.9 12.3 40.5 349 350 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -2,-0.1 0.887 76.2 41.9 -51.3 -49.6 18.8 15.4 39.4 350 351 A L H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.933 116.7 45.1 -68.5 -48.8 15.6 14.3 41.0 351 352 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 112.8 52.2 -66.0 -36.0 17.0 13.0 44.3 352 353 A S H X S+ 0 0 22 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.892 105.9 54.9 -65.0 -40.7 19.3 16.1 44.6 353 354 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.932 108.2 48.3 -59.2 -45.8 16.2 18.3 44.2 354 355 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.924 111.6 51.0 -59.8 -44.6 14.4 16.5 47.0 355 356 A K H X S+ 0 0 77 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.858 103.5 57.8 -61.8 -39.0 17.6 16.9 49.1 356 357 A D H < S+ 0 0 64 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.928 108.7 46.3 -57.1 -47.2 17.8 20.7 48.4 357 358 A V H >< S+ 0 0 14 -4,-1.7 3,-1.5 1,-0.2 4,-0.4 0.934 111.4 50.9 -61.5 -48.3 14.4 21.2 49.8 358 359 A L H 3< S+ 0 0 18 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.702 107.4 56.0 -63.8 -20.2 15.0 19.1 52.9 359 360 A A T 3< S+ 0 0 65 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.442 97.7 62.4 -93.7 0.3 18.2 21.0 53.7 360 361 A R < 0 0 153 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.569 360.0 360.0-106.4 -5.5 16.8 24.5 53.8 361 362 A V 0 0 178 -4,-0.4 -1,-0.1 -3,-0.2 -4,-0.0 -0.219 360.0 360.0 68.4 360.0 14.3 24.8 56.7