==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 02-JUN-12 3VTR . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OSTRINIA FURNACALIS; . AUTHOR T.LIU,Y.ZHOU,L.CHEN,W.CHEN,L.LIU,X.SHEN,Q.YANG . 572 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 59 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 2 4 2 0 2 1 0 1 1 2 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 2 2 2 0 1 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 . 3 2 1 1 1 1 1 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 2 0 0 1 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 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 23 A E 0 0 226 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-159.2 -29.0 29.7 83.1 2 24 A D - 0 0 108 1,-0.0 167,-0.1 2,-0.0 166,-0.0 -0.908 360.0 -79.5-120.7 154.3 -32.7 28.9 82.3 3 25 A V - 0 0 46 165,-0.5 -1,-0.0 -2,-0.3 0, 0.0 -0.237 35.8-165.6 -59.2 130.4 -35.6 31.3 81.5 4 26 A V + 0 0 78 2,-0.0 15,-1.6 14,-0.0 -1,-0.1 0.707 58.1 65.9 -90.0 -26.4 -37.2 32.8 84.6 5 27 A W E -A 18 0A 84 13,-0.2 2,-0.3 22,-0.0 13,-0.2 -0.314 53.5-162.2-101.0 175.5 -40.5 34.2 83.3 6 28 A R E -A 17 0A 38 11,-2.2 11,-2.9 -2,-0.1 2,-0.4 -0.939 15.1-130.8-147.6 167.6 -43.8 33.1 81.8 7 29 A W E -A 16 0A 10 21,-2.0 2,-0.4 -2,-0.3 21,-0.3 -0.978 12.6-168.0-132.4 139.2 -46.6 34.7 79.9 8 30 A S E -A 15 0A 39 7,-2.4 7,-2.7 -2,-0.4 2,-0.5 -0.977 26.3-119.3-126.9 136.9 -50.4 34.8 80.2 9 31 A a E +A 14 0A 65 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.627 36.4 168.3 -80.3 121.1 -52.9 36.0 77.7 10 32 A D E > -A 13 0A 99 3,-2.6 3,-1.4 -2,-0.5 -2,-0.0 -0.965 70.0 -23.9-136.0 115.5 -55.1 39.0 78.9 11 33 A N T 3 S- 0 0 150 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.882 126.3 -47.6 47.9 50.1 -57.3 40.9 76.5 12 34 A G T 3 S+ 0 0 35 1,-0.2 2,-0.4 24,-0.1 -1,-0.3 0.549 119.7 105.7 75.2 8.3 -55.2 40.0 73.4 13 35 A K E < -A 10 0A 84 -3,-1.4 -3,-2.6 554,-0.1 2,-0.8 -0.977 68.0-134.3-124.4 130.7 -51.9 40.8 75.1 14 36 A b E -A 9 0A 1 -2,-0.4 553,-1.2 -5,-0.2 2,-0.4 -0.746 29.6-162.4 -83.4 110.4 -49.3 38.4 76.4 15 37 A V E -A 8 0A 32 -7,-2.7 -7,-2.4 -2,-0.8 2,-0.3 -0.790 15.2-121.5-101.6 138.1 -48.3 39.7 79.8 16 38 A K E +A 7 0A 46 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.588 35.5 169.5 -84.3 132.8 -45.1 38.7 81.6 17 39 A L E -A 6 0A 64 -11,-2.9 -11,-2.2 -2,-0.3 2,-0.1 -0.948 42.2 -90.6-137.8 152.5 -45.4 37.1 85.0 18 40 A K E -A 5 0A 129 -2,-0.3 2,-1.5 -13,-0.2 -13,-0.2 -0.433 38.5-122.6 -58.6 133.1 -43.0 35.3 87.4 19 41 A N - 0 0 56 -15,-1.6 -1,-0.1 -2,-0.1 4,-0.1 -0.691 38.3-155.9 -79.7 93.5 -42.9 31.5 86.7 20 42 A D - 0 0 81 -2,-1.5 3,-0.1 1,-0.1 7,-0.1 -0.526 17.8-143.7 -80.4 130.5 -43.9 30.6 90.2 21 43 A P S S+ 0 0 120 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.827 93.1 67.1 -61.0 -30.3 -42.9 27.2 91.5 22 44 A R S S+ 0 0 232 2,-0.0 2,-0.3 -3,-0.0 -2,-0.1 -0.578 79.7 102.4 -96.0 75.5 -46.1 26.9 93.6 23 45 A S - 0 0 60 -2,-1.3 4,-0.1 -3,-0.1 -4,-0.0 -0.984 55.9-156.2-154.0 139.0 -48.6 26.7 90.7 24 46 A S S S+ 0 0 132 -2,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.383 72.9 99.1 -95.8 1.0 -50.6 23.9 89.1 25 47 A E S S- 0 0 113 1,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.807 81.7-118.7 -93.0 121.1 -51.0 25.9 86.0 26 48 A P - 0 0 93 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.384 32.1-121.5 -58.5 123.6 -48.5 25.0 83.2 27 49 A A - 0 0 6 -2,-0.2 2,-0.4 -4,-0.1 -19,-0.1 -0.336 21.6-136.8 -65.3 145.8 -46.3 28.1 82.3 28 50 A L - 0 0 75 -21,-0.3 -21,-2.0 141,-0.0 2,-0.1 -0.899 9.4-131.3-106.7 136.8 -46.4 29.4 78.8 29 51 A S > - 0 0 1 -2,-0.4 4,-2.0 -23,-0.2 5,-0.2 -0.400 36.0 -99.8 -72.8 161.2 -43.3 30.5 76.8 30 52 A L H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.919 119.9 36.2 -49.7 -60.5 -43.5 33.9 75.1 31 53 A E H > S+ 0 0 42 135,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.718 112.0 60.3 -74.3 -22.0 -44.3 32.8 71.5 32 54 A A H > S+ 0 0 4 2,-0.2 4,-0.6 134,-0.2 -1,-0.2 0.863 109.2 44.7 -67.6 -36.9 -46.5 29.9 72.7 33 55 A b H >X S+ 0 0 3 -4,-2.0 4,-2.1 -3,-0.3 3,-0.9 0.918 111.7 53.1 -69.1 -44.3 -48.6 32.6 74.4 34 56 A K H 3X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 7,-0.2 0.862 97.8 65.2 -59.6 -40.0 -48.4 34.7 71.2 35 57 A M H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.804 118.2 23.7 -54.6 -33.4 -49.6 31.9 69.0 36 58 A F H << S+ 0 0 69 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.612 118.5 58.2-112.0 -13.1 -53.1 31.9 70.7 37 59 A a H < S+ 0 0 13 -4,-2.1 2,-0.2 -5,-0.1 -3,-0.2 0.855 94.7 74.4 -81.0 -37.1 -53.3 35.4 72.2 38 60 A N S >< S- 0 0 23 -4,-2.1 3,-0.9 -5,-0.2 4,-0.1 -0.560 87.3-125.3 -78.6 140.2 -52.9 37.1 68.8 39 61 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.887 113.8 22.7 -48.1 -46.4 -55.9 37.0 66.4 40 62 A Y T > S- 0 0 46 1,-0.3 3,-1.5 3,-0.1 -1,-0.3 0.236 102.0-142.7-108.5 11.9 -53.7 35.4 63.7 41 63 A G T < - 0 0 1 -3,-0.9 -1,-0.3 1,-0.2 -6,-0.1 -0.440 64.7 -28.5 68.0-131.0 -51.0 34.0 66.0 42 64 A L T 3 S+ 0 0 5 120,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.285 98.6 131.6-102.2 8.7 -47.4 34.2 64.6 43 65 A L < - 0 0 0 -3,-1.5 3,-0.2 -8,-0.1 501,-0.1 -0.398 44.0-148.4 -69.1 131.5 -48.5 34.1 60.9 44 66 A W S S+ 0 0 0 1,-0.4 2,-0.1 171,-0.2 173,-0.1 -0.929 85.3 20.3-141.9 125.9 -47.1 36.6 58.5 45 67 A P S S- 0 0 2 0, 0.0 -1,-0.4 0, 0.0 476,-0.0 0.686 98.1-128.5 -76.1 161.4 -48.8 37.4 56.2 46 68 A R - 0 0 32 -3,-0.2 -5,-0.0 -2,-0.1 -2,-0.0 -0.438 31.3 -99.2 -69.6 146.8 -52.2 36.4 57.7 47 69 A P - 0 0 2 0, 0.0 136,-0.1 0, 0.0 -1,-0.1 -0.265 16.2-145.1 -64.5 153.7 -54.4 34.3 55.5 48 70 A T S S+ 0 0 37 136,-0.1 135,-0.2 2,-0.1 3,-0.1 0.595 84.8 38.3 -92.6 -17.3 -57.2 35.8 53.4 49 71 A G S S- 0 0 39 133,-1.2 2,-0.2 1,-0.3 134,-0.1 0.172 117.4 -11.7-104.8-139.1 -59.5 32.8 53.9 50 72 A E - 0 0 112 1,-0.1 132,-1.7 2,-0.0 2,-0.3 -0.496 56.6-177.9 -62.7 127.3 -60.2 30.4 56.8 51 73 A A E +B 181 0B 39 -2,-0.2 2,-0.6 130,-0.2 130,-0.2 -0.763 13.7 159.1-129.6 89.7 -57.6 30.9 59.5 52 74 A D E +B 180 0B 75 128,-2.1 128,-2.0 -2,-0.3 -12,-0.1 -0.937 12.0 168.5-116.8 114.0 -58.3 28.4 62.3 53 75 A L - 0 0 18 -2,-0.6 125,-0.5 1,-0.2 3,-0.2 0.455 32.8-147.4-102.5 -2.5 -55.5 27.6 64.7 54 76 A G - 0 0 21 1,-0.2 -1,-0.2 123,-0.1 125,-0.0 -0.173 32.4 -79.3 61.9-162.2 -57.5 25.8 67.4 55 77 A N S S+ 0 0 131 2,-0.0 2,-0.3 121,-0.0 -1,-0.2 0.504 93.7 71.8-113.9 -4.6 -56.4 26.0 71.0 56 78 A F - 0 0 114 -3,-0.2 121,-2.7 122,-0.1 122,-0.4 -0.766 51.5-151.2-127.3 159.9 -53.5 23.6 71.4 57 79 A L E -G 176 0C 43 -2,-0.3 2,-0.4 119,-0.3 119,-0.2 -0.871 14.9-150.6-117.4 153.3 -49.8 22.8 70.7 58 80 A S E -G 175 0C 12 117,-2.5 117,-1.8 -2,-0.3 2,-0.2 -0.991 22.2-115.3-127.8 136.3 -48.2 19.4 70.3 59 81 A K E -G 174 0C 75 -2,-0.4 46,-2.8 115,-0.2 2,-0.4 -0.489 37.7-160.5 -69.5 136.3 -44.6 18.4 71.1 60 82 A I E -c 105 0B 1 113,-3.4 2,-0.6 44,-0.3 113,-0.5 -0.932 19.8-129.7-126.3 138.5 -42.7 17.4 67.9 61 83 A N E > - 0 0 29 44,-2.8 3,-1.4 -2,-0.4 46,-0.3 -0.816 17.0-149.2 -85.2 121.9 -39.6 15.4 67.2 62 84 A L E > S+ 0 0 20 -2,-0.6 3,-0.7 39,-0.3 -1,-0.1 0.807 95.5 49.8 -59.4 -34.3 -37.4 17.5 64.9 63 85 A N E 3 S+ 0 0 101 1,-0.2 -1,-0.3 40,-0.1 43,-0.1 0.424 99.3 66.5 -90.1 0.1 -35.9 14.3 63.2 64 86 A S E < + 0 0 30 -3,-1.4 43,-1.9 41,-0.2 2,-0.8 0.118 68.1 118.1-106.8 17.6 -39.3 12.7 62.6 65 87 A I E < +c 107 0B 20 -3,-0.7 2,-0.4 41,-0.2 43,-0.2 -0.789 41.0 176.5 -85.8 113.2 -40.4 15.3 60.0 66 88 A E E -c 108 0B 74 41,-2.8 43,-2.6 -2,-0.8 2,-0.5 -0.938 17.7-149.3-119.8 141.6 -41.0 13.5 56.7 67 89 A V E -c 109 0B 36 -2,-0.4 2,-0.4 41,-0.2 43,-0.2 -0.940 10.1-171.4-114.7 130.1 -42.3 14.9 53.5 68 90 A K E -c 110 0B 122 41,-3.1 43,-2.9 -2,-0.5 2,-0.6 -0.981 13.0-151.1-122.3 128.1 -44.3 13.0 50.9 69 91 A I E -c 111 0B 39 -2,-0.4 43,-0.2 41,-0.2 3,-0.1 -0.865 11.0-171.1 -98.4 114.7 -45.2 14.3 47.4 70 92 A L S S+ 0 0 104 41,-2.7 2,-0.6 -2,-0.6 42,-0.2 0.834 70.2 45.4 -83.1 -34.2 -48.5 12.7 46.3 71 93 A K S S- 0 0 80 40,-0.7 42,-0.2 5,-0.0 -1,-0.2 -0.924 75.0-156.6-115.5 108.2 -48.8 13.8 42.7 72 94 A K + 0 0 148 -2,-0.6 2,-0.2 -3,-0.1 45,-0.1 -0.475 31.7 125.1 -81.3 153.5 -45.6 13.5 40.6 73 95 A G S > S- 0 0 20 43,-0.2 3,-0.9 -2,-0.1 44,-0.2 -0.852 71.2 -46.3-174.4-155.3 -45.0 15.7 37.5 74 96 A A T 3 S+ 0 0 46 1,-0.2 3,-0.3 -2,-0.2 43,-0.2 0.652 125.0 61.0 -80.3 -16.3 -42.7 18.2 35.7 75 97 A T T 3> S+ 0 0 0 41,-2.6 4,-2.9 1,-0.2 3,-0.4 0.217 72.5 117.8 -90.3 15.0 -42.2 20.3 38.9 76 98 A D H <> S+ 0 0 37 -3,-0.9 4,-2.8 1,-0.2 5,-0.2 0.882 73.1 44.8 -48.3 -55.9 -40.7 17.2 40.6 77 99 A D H > S+ 0 0 81 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.822 114.9 49.8 -62.5 -34.0 -37.2 18.7 41.2 78 100 A L H > S+ 0 0 1 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.917 112.9 45.8 -68.8 -45.2 -38.8 22.0 42.4 79 101 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.880 113.9 49.0 -65.8 -39.9 -41.1 20.1 44.8 80 102 A E H X S+ 0 0 94 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.873 112.2 49.3 -66.2 -38.7 -38.3 17.9 46.0 81 103 A A H X S+ 0 0 23 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.927 112.6 46.5 -63.3 -46.9 -36.1 21.0 46.5 82 104 A A H < S+ 0 0 5 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.833 112.5 51.1 -66.8 -34.5 -38.9 22.8 48.5 83 105 A A H >X S+ 0 0 14 -4,-2.1 3,-1.3 2,-0.2 4,-0.6 0.910 108.4 50.7 -66.3 -46.0 -39.5 19.7 50.5 84 106 A K H 3X S+ 0 0 139 -4,-2.3 4,-0.6 1,-0.3 3,-0.4 0.850 108.8 53.5 -60.2 -34.3 -35.7 19.4 51.4 85 107 A R H 3X S+ 0 0 32 -4,-1.7 4,-1.4 1,-0.2 -1,-0.3 0.597 90.3 80.8 -74.4 -11.9 -35.8 23.0 52.5 86 108 A F H <> S+ 0 0 2 -3,-1.3 4,-2.4 -4,-0.3 3,-0.2 0.914 88.7 49.0 -66.5 -47.3 -38.7 22.4 54.8 87 109 A K H X S+ 0 0 80 -4,-0.6 4,-2.3 -3,-0.4 -1,-0.2 0.918 109.2 53.4 -56.4 -48.9 -36.7 20.9 57.7 88 110 A E H < S+ 0 0 99 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 111.6 47.1 -55.9 -35.5 -34.2 23.8 57.6 89 111 A Q H >< S+ 0 0 31 -4,-1.4 3,-1.6 -3,-0.2 4,-0.3 0.871 106.6 53.8 -77.9 -40.5 -37.1 26.2 57.8 90 112 A V H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 4,-0.3 0.900 101.9 63.0 -56.4 -39.6 -38.9 24.5 60.7 91 113 A S G >< S+ 0 0 26 -4,-2.3 3,-1.0 1,-0.3 -1,-0.3 0.648 85.1 76.2 -60.1 -15.6 -35.5 24.8 62.5 92 114 A L G < S+ 0 0 25 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.662 80.6 68.2 -71.8 -17.2 -36.0 28.6 62.3 93 115 A A G < S+ 0 0 10 -3,-2.0 73,-0.6 -4,-0.3 -1,-0.2 0.798 90.4 77.0 -66.1 -28.1 -38.5 28.4 65.1 94 116 A I S < S- 0 0 10 -3,-1.0 3,-0.1 -4,-0.3 79,-0.0 -0.756 86.5-127.2 -91.9 120.8 -35.5 27.5 67.3 95 117 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.340 38.7 -92.2 -62.7 144.5 -33.2 30.3 68.4 96 118 A R T 3 S+ 0 0 203 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.355 113.9 27.6 -63.0 134.6 -29.4 29.7 67.7 97 119 A G T 3 S+ 0 0 84 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.178 98.8 108.0 95.0 -16.0 -27.6 28.1 70.6 98 120 A S < - 0 0 43 -3,-1.9 -1,-0.3 -4,-0.0 -4,-0.0 -0.812 54.4-158.8 -95.1 134.7 -30.8 26.4 71.8 99 121 A T - 0 0 107 -2,-0.4 2,-0.2 -3,-0.1 3,-0.0 -0.962 10.1-140.1-116.5 121.2 -31.2 22.7 71.3 100 122 A P - 0 0 13 0, 0.0 72,-0.2 0, 0.0 2,-0.2 -0.533 27.0-107.7 -77.2 144.5 -34.6 21.0 71.3 101 123 A K - 0 0 107 70,-2.5 2,-1.5 -2,-0.2 72,-0.4 -0.514 29.9-123.6 -66.5 135.3 -35.1 17.7 73.0 102 124 A L S S+ 0 0 87 -2,-0.2 2,-0.3 -41,-0.1 -41,-0.2 -0.664 75.0 94.8 -87.1 88.0 -35.6 15.0 70.4 103 125 A T + 0 0 56 -2,-1.5 70,-0.2 -43,-0.4 2,-0.2 -0.900 43.6 70.8-157.7 174.6 -38.9 13.6 71.6 104 126 A G S S- 0 0 41 -2,-0.3 -44,-0.3 -43,-0.1 70,-0.1 -0.524 81.5 -20.9 101.5-170.3 -42.6 14.1 70.7 105 127 A K E -c 60 0B 54 -46,-2.8 -44,-2.8 -2,-0.2 35,-0.3 -0.234 58.0-114.7 -76.6 158.7 -44.7 13.2 67.7 106 128 A A E - d 0 140B 13 33,-2.8 35,-2.8 -46,-0.2 2,-0.5 -0.649 27.7-138.6 -85.8 149.3 -43.7 12.4 64.2 107 129 A V E -cd 65 141B 1 -43,-1.9 -41,-2.8 -46,-0.3 2,-0.6 -0.950 13.2-167.4-119.5 118.5 -44.8 14.8 61.4 108 130 A D E -cd 66 142B 20 33,-3.3 35,-3.3 -2,-0.5 2,-0.6 -0.913 6.3-164.1-102.4 116.8 -46.1 13.7 58.0 109 131 A V E -cd 67 143B 0 -43,-2.6 -41,-3.1 -2,-0.6 2,-0.6 -0.902 3.4-163.1 -99.8 123.7 -46.3 16.4 55.4 110 132 A Y E -cd 68 144B 62 33,-3.5 35,-2.6 -2,-0.6 2,-0.6 -0.929 2.2-160.4-111.8 113.6 -48.5 15.5 52.4 111 133 A L E -cd 69 145B 0 -43,-2.9 -41,-2.7 -2,-0.6 -40,-0.7 -0.833 7.0-174.0 -99.1 117.7 -48.0 17.7 49.4 112 134 A V E - d 0 146B 23 33,-2.8 35,-2.4 -2,-0.6 2,-0.7 -0.896 2.5-177.3-115.2 101.5 -50.8 17.6 46.8 113 135 A N E - d 0 147B 0 -2,-0.6 35,-0.2 -42,-0.2 37,-0.1 -0.876 9.3-164.4-100.2 108.0 -50.0 19.6 43.6 114 136 A E S S+ 0 0 78 33,-2.5 34,-0.2 -2,-0.7 35,-0.2 0.757 88.5 31.9 -68.0 -28.9 -53.2 19.4 41.4 115 137 A N S > S+ 0 0 91 33,-0.7 3,-2.1 32,-0.3 35,-0.4 -0.597 72.8 173.1-127.2 72.3 -51.3 20.5 38.3 116 138 A P T 3 S+ 0 0 18 0, 0.0 -41,-2.6 0, 0.0 -40,-0.2 0.442 72.1 60.6 -65.5 -5.7 -47.8 19.1 38.8 117 139 A N T 3 S+ 0 0 111 -43,-0.2 2,-0.8 -44,-0.2 32,-0.1 0.534 76.4 105.5 -95.7 -9.2 -46.6 20.1 35.3 118 140 A E < + 0 0 103 -3,-2.1 32,-0.6 1,-0.2 -3,-0.1 -0.625 26.9 146.4 -83.2 107.6 -47.1 23.9 35.7 119 141 A K + 0 0 86 -2,-0.8 2,-0.3 30,-0.1 -1,-0.2 0.358 35.4 112.3-116.9 6.0 -43.8 25.7 36.2 120 142 A A - 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0 0 11 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.789 17.2-165.2 -87.2 118.6 -34.2 65.2 29.6 349 371 A E H > S+ 0 0 66 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.872 93.1 56.5 -66.6 -38.7 -35.3 67.5 26.7 350 372 A A H > S+ 0 0 38 -47,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.889 104.6 53.6 -57.8 -42.0 -32.2 69.7 27.4 351 373 A c H >4 S+ 0 0 3 -48,-0.4 3,-1.0 1,-0.2 -2,-0.2 0.950 111.6 42.0 -60.2 -53.0 -30.0 66.6 26.9 352 374 A W H >< S+ 0 0 2 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.811 112.3 57.1 -63.6 -30.2 -31.4 65.7 23.5 353 375 A N H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.598 93.3 66.9 -80.5 -10.6 -31.4 69.3 22.5 354 376 A S T << S+ 0 0 67 -3,-1.0 2,-0.4 -4,-0.8 -1,-0.2 0.410 85.9 91.2 -88.8 2.5 -27.7 69.8 23.1 355 377 A S <> - 0 0 16 -3,-1.0 4,-1.8 -4,-0.1 5,-0.1 -0.840 62.2-154.2-106.2 137.9 -26.8 67.4 20.2 356 378 A D H > S+ 0 0 114 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.931 97.2 53.1 -68.7 -50.1 -26.2 68.4 16.6 357 379 A S H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 111.0 47.8 -51.1 -45.6 -27.1 64.9 15.2 358 380 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 111.4 47.3 -67.6 -49.0 -30.5 65.0 17.0 359 381 A Q H X S+ 0 0 58 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.896 112.9 50.6 -60.3 -42.5 -31.5 68.6 16.0 360 382 A N H X S+ 0 0 74 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.932 109.9 50.1 -57.4 -49.1 -30.5 67.8 12.4 361 383 A F H X S+ 0 0 40 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.848 112.7 46.9 -58.5 -38.4 -32.6 64.6 12.5 362 384 A M H <>S+ 0 0 0 -4,-2.1 5,-1.1 2,-0.2 -1,-0.2 0.783 106.8 57.5 -77.9 -29.3 -35.6 66.5 13.9 363 385 A M H ><5S+ 0 0 139 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.941 106.5 50.4 -58.8 -48.1 -35.2 69.3 11.3 364 386 A Q H 3<5S+ 0 0 155 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.767 107.3 51.4 -67.6 -29.3 -35.6 66.7 8.5 365 387 A N T 3<5S- 0 0 49 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.390 114.1-119.1 -85.0 3.5 -38.7 65.2 10.0 366 388 A R T < 5 + 0 0 192 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.424 68.6 142.8 74.2 -1.5 -40.1 68.8 10.1 367 389 A W < - 0 0 42 -5,-1.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.350 45.1-130.8 -70.6 155.8 -40.4 68.3 13.9 368 390 A D - 0 0 104 -3,-0.1 -1,-0.1 1,-0.0 -3,-0.1 -0.138 19.9-105.9 -93.4-168.1 -39.6 71.4 15.8 369 391 A L S S+ 0 0 85 4,-0.1 2,-0.1 -2,-0.0 -1,-0.0 0.098 86.0 105.7-105.7 21.9 -37.3 71.9 18.8 370 392 A D S > S- 0 0 89 1,-0.0 4,-1.1 4,-0.0 3,-0.1 -0.133 86.3 -89.6 -87.1-171.4 -40.3 72.2 21.1 371 393 A K H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.930 118.0 52.7 -69.5 -52.9 -41.7 69.8 23.7 372 394 A E H > S+ 0 0 101 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.762 107.7 55.5 -60.0 -27.1 -44.2 67.7 21.7 373 395 A S H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.862 105.7 48.8 -74.6 -39.0 -41.4 66.9 19.2 374 396 A F H X S+ 0 0 12 -4,-1.1 4,-2.2 -3,-0.5 -2,-0.2 0.795 108.8 55.4 -69.3 -27.3 -39.0 65.5 21.8 375 397 A L H X S+ 0 0 12 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.828 106.5 51.1 -67.4 -33.8 -42.0 63.5 22.9 376 398 A K H X S+ 0 0 95 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.873 108.5 50.3 -69.0 -40.0 -42.2 62.3 19.3 377 399 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.928 110.8 49.6 -62.2 -45.8 -38.5 61.4 19.3 378 400 A W H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.919 111.1 49.0 -57.8 -46.5 -39.0 59.4 22.6 379 401 A N H X S+ 0 0 33 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.893 109.4 52.4 -60.9 -41.9 -42.0 57.6 21.0 380 402 A Y H X S+ 0 0 70 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.939 111.8 47.1 -57.0 -50.0 -39.9 56.8 17.9 381 403 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.936 112.7 48.1 -54.6 -52.0 -37.3 55.4 20.2 382 404 A Q H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.871 108.7 53.3 -64.7 -39.6 -39.8 53.3 22.3 383 405 A Q H X S+ 0 0 80 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.907 115.2 41.0 -59.2 -43.6 -41.5 51.8 19.2 384 406 A K H X S+ 0 0 67 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.914 115.2 49.5 -73.7 -43.1 -38.2 50.6 17.9 385 407 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.921 110.8 52.4 -57.4 -46.1 -36.9 49.4 21.3 386 408 A Q H X S+ 0 0 15 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.886 106.4 52.1 -55.9 -46.9 -40.2 47.6 21.8 387 409 A D H X S+ 0 0 101 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.911 110.9 48.4 -57.4 -44.0 -39.9 45.8 18.4 388 410 A K H X S+ 0 0 43 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.824 109.6 52.3 -68.4 -32.7 -36.4 44.7 19.4 389 411 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 6,-0.3 0.917 108.3 50.6 -67.0 -44.4 -37.6 43.5 22.8 390 412 A Y H <>S+ 0 0 33 -4,-2.5 5,-1.4 1,-0.2 4,-0.4 0.887 112.9 46.9 -59.4 -41.4 -40.3 41.4 21.2 391 413 A K H ><5S+ 0 0 127 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.944 111.1 51.1 -64.5 -48.6 -37.8 39.9 18.9 392 414 A A H 3<5S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.870 113.6 42.9 -59.9 -42.0 -35.3 39.1 21.7 393 415 A F T 3<5S- 0 0 30 -4,-2.5 -1,-0.3 2,-0.3 -2,-0.2 0.501 110.0-125.4 -83.3 -3.1 -37.9 37.4 23.9 394 416 A G T < 5S+ 0 0 66 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.623 81.8 40.0 72.1 15.0 -39.2 35.6 20.8 395 417 A K S > - 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