==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-DEC-09 2X05 . COMPND 2 MOLECULE: EXO-BETA-D-GLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR B.PLUVINAGE,M.G.GHINET,R.BRZEZINSKI,A.B.BORASTON,K.A.STUBBS . 1702 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1137 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 429 25.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 148 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 13.3 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+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 0 0 4 0 4 2 2 0 2 2 0 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 1 5 2 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 . 12 9 3 10 9 8 1 4 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 6 10 2 2 0 0 2 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 48 A A 0 0 76 0, 0.0 176,-0.2 0, 0.0 278,-0.2 0.000 360.0 360.0 360.0 113.6 27.9 32.2 112.1 2 49 A G + 0 0 28 174,-1.6 2,-0.3 276,-0.2 175,-0.2 0.551 360.0 152.9 125.2 35.2 28.4 31.9 108.3 3 50 A N E +A 176 0A 71 173,-2.2 173,-1.6 278,-0.0 2,-0.3 -0.669 23.5 170.5-104.1 143.4 29.1 35.5 107.5 4 51 A A E +A 175 0A 44 -2,-0.3 171,-0.2 171,-0.2 169,-0.0 -0.798 11.3 176.7-150.8 106.0 31.1 37.2 104.8 5 52 A T E -A 174 0A 71 169,-3.0 169,-2.9 -2,-0.3 2,-0.1 -0.947 25.3-130.5-121.0 121.9 30.9 41.0 104.4 6 53 A P E -A 173 0A 54 0, 0.0 167,-0.2 0, 0.0 33,-0.0 -0.364 28.7-114.6 -60.2 136.1 32.8 43.2 101.9 7 54 A I - 0 0 7 165,-2.5 165,-0.3 1,-0.1 3,-0.1 -0.634 26.9-149.2 -66.8 124.5 34.6 46.2 103.4 8 55 A P - 0 0 111 0, 0.0 31,-1.7 0, 0.0 2,-0.3 0.750 60.5 -27.0 -75.2 -21.3 32.6 49.0 101.7 9 56 A G E -D 38 0B 18 29,-0.3 2,-0.3 2,-0.0 29,-0.2 -0.980 52.0-144.8 179.9 169.5 35.5 51.5 101.6 10 57 A Y E -D 37 0B 9 27,-2.7 27,-3.5 -2,-0.3 2,-0.4 -0.864 20.8-120.3-141.0 169.8 38.8 52.8 103.0 11 58 A V E -DE 36 77B 36 66,-2.7 66,-2.2 -2,-0.3 2,-0.3 -0.963 37.8-163.1-111.8 138.4 40.7 56.0 103.6 12 59 A I E +DE 35 76B 0 23,-2.4 23,-3.8 -2,-0.4 2,-0.3 -0.889 19.0 160.2-127.2 154.2 44.0 56.1 101.8 13 60 A Q E - E 0 75B 12 62,-1.1 62,-3.2 -2,-0.3 2,-0.1 -0.951 44.6 -88.0-161.2 153.8 47.3 58.1 102.0 14 61 A S E > - E 0 74B 7 -2,-0.3 3,-1.8 60,-0.3 60,-0.3 -0.402 31.2-125.6 -60.1 142.9 50.9 57.7 100.9 15 62 A S G > S+ 0 0 17 58,-3.2 3,-1.5 1,-0.3 59,-0.1 0.576 102.7 86.6 -66.0 -10.9 53.2 55.9 103.3 16 63 A A G 3 S+ 0 0 76 57,-0.4 -1,-0.3 1,-0.2 58,-0.1 0.747 91.9 44.9 -53.1 -26.4 55.3 59.1 102.9 17 64 A Q G < S+ 0 0 131 -3,-1.8 2,-0.5 1,-0.1 -1,-0.2 0.297 99.7 79.6-107.7 9.2 53.1 60.5 105.7 18 65 A V < + 0 0 16 -3,-1.5 3,-0.2 1,-0.1 -1,-0.1 -0.958 43.2 168.8-122.2 112.5 53.3 57.5 108.0 19 66 A S S S+ 0 0 128 -2,-0.5 2,-0.5 1,-0.3 -1,-0.1 0.649 75.4 48.0 -99.6 -16.2 56.4 57.1 110.1 20 67 A D >> - 0 0 82 1,-0.1 3,-1.1 2,-0.0 4,-0.6 -0.922 66.2-167.8-126.3 101.2 55.2 54.3 112.4 21 68 A D G >4 S+ 0 0 41 -2,-0.5 3,-1.1 1,-0.2 4,-0.5 0.877 86.4 58.3 -56.6 -40.1 53.6 51.6 110.3 22 69 A S G 34 S+ 0 0 25 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.732 95.4 65.4 -63.0 -27.3 52.0 49.9 113.5 23 70 A A G X4 S+ 0 0 22 -3,-1.1 3,-1.2 1,-0.2 -1,-0.3 0.802 86.0 72.0 -66.0 -30.3 50.1 53.1 114.3 24 71 A V T << S+ 0 0 0 -3,-1.1 5,-0.2 -4,-0.6 -1,-0.2 0.921 100.8 40.3 -57.3 -47.8 47.9 53.0 111.3 25 72 A S T 3 S+ 0 0 0 -4,-0.5 80,-0.8 -3,-0.2 111,-0.4 0.353 87.2 108.3 -90.5 4.9 45.7 50.0 112.4 26 73 A K S X S- 0 0 96 -3,-1.2 3,-1.6 -4,-0.3 80,-0.1 -0.677 83.4-105.1 -74.1 133.8 45.4 51.0 116.0 27 74 A P T 3 S+ 0 0 53 0, 0.0 109,-0.1 0, 0.0 -1,-0.1 -0.381 108.0 34.9 -56.7 138.5 41.8 52.2 116.7 28 75 A G T 3 S+ 0 0 74 1,-0.3 -3,-0.1 -4,-0.1 -4,-0.1 0.350 76.6 153.3 93.7 -4.7 41.8 56.0 117.0 29 76 A F < - 0 0 43 -3,-1.6 -1,-0.3 -5,-0.2 2,-0.2 -0.382 47.5-119.8 -57.2 128.5 44.5 56.6 114.4 30 77 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.545 30.9-179.1 -77.5 142.5 44.0 60.1 113.0 31 78 A T > + 0 0 48 -2,-0.2 3,-2.8 3,-0.1 2,-0.1 -0.032 14.7 160.9-134.0 29.7 43.3 60.4 109.3 32 79 A S T 3 S+ 0 0 127 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.360 78.0 11.5 -55.5 121.2 42.9 64.1 108.6 33 80 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.471 91.7 138.1 87.1 2.1 43.5 64.6 104.9 34 81 A W < - 0 0 29 -3,-2.8 -1,-0.3 -21,-0.1 -21,-0.2 -0.482 59.1-110.2 -73.2 151.5 43.4 60.9 104.0 35 82 A Y E -D 12 0B 44 -23,-3.8 -23,-2.4 -2,-0.1 2,-0.3 -0.771 22.5-137.5 -92.4 120.6 41.4 60.2 100.8 36 83 A P E +D 11 0B 74 0, 0.0 2,-0.3 0, 0.0 -25,-0.3 -0.604 32.0 174.6 -75.4 129.6 38.1 58.3 101.2 37 84 A V E -D 10 0B 8 -27,-3.5 -27,-2.7 -2,-0.3 3,-0.1 -0.977 27.9-119.6-137.1 150.7 37.6 55.6 98.5 38 85 A S E > -D 9 0B 53 -2,-0.3 3,-0.6 -29,-0.2 -29,-0.3 -0.275 49.9 -75.8 -76.6 168.6 35.1 52.9 97.7 39 86 A S T 3 S+ 0 0 21 -31,-1.7 285,-0.2 1,-0.2 -1,-0.2 -0.264 114.2 34.1 -58.9 152.8 36.0 49.2 97.6 40 87 A R T 3 S+ 0 0 23 130,-0.5 2,-0.5 128,-0.4 284,-0.4 0.715 85.5 145.2 70.9 27.9 38.0 48.0 94.5 41 88 A S < - 0 0 6 -3,-0.6 127,-1.1 127,-0.4 -1,-0.2 -0.826 43.3-146.7-102.0 133.2 40.0 51.2 93.9 42 89 A T B > -I 167 0C 0 279,-0.6 4,-2.4 -2,-0.5 125,-0.3 -0.485 41.9-102.2 -70.4 160.7 43.5 51.7 92.7 43 90 A V H > S+ 0 0 0 123,-2.9 4,-1.7 1,-0.2 5,-0.2 0.936 123.2 46.8 -53.7 -51.7 45.2 54.6 94.3 44 91 A Y H > S+ 0 0 0 122,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.855 109.2 54.1 -64.2 -36.4 44.7 56.9 91.3 45 92 A A H > S+ 0 0 5 276,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 108.7 50.9 -58.4 -44.0 41.1 55.8 91.0 46 93 A G H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.813 109.7 49.0 -64.0 -33.5 40.7 56.9 94.6 47 94 A L H <>S+ 0 0 0 -4,-1.7 5,-3.1 2,-0.2 6,-0.3 0.805 110.3 50.1 -77.2 -33.5 42.3 60.3 93.9 48 95 A L H ><5S+ 0 0 31 -4,-2.2 3,-2.0 3,-0.2 -2,-0.2 0.869 105.3 58.7 -63.2 -40.3 40.0 60.8 90.8 49 96 A Q H 3<5S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.824 108.0 45.6 -59.0 -34.5 37.1 59.9 93.1 50 97 A N T 3<5S- 0 0 68 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.251 118.1-115.5 -92.0 9.6 38.2 62.8 95.3 51 98 A G T < 5 + 0 0 63 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.842 68.4 142.3 59.0 40.8 38.6 65.1 92.3 52 99 A K < + 0 0 88 -5,-3.1 2,-0.3 1,-0.1 -4,-0.2 0.702 65.4 23.3 -87.4 -19.0 42.4 65.5 92.8 53 100 A Y S S- 0 0 49 -6,-0.3 -1,-0.1 -9,-0.1 -2,-0.1 -0.948 90.2 -93.8-141.5 159.8 43.4 65.5 89.1 54 101 A A - 0 0 60 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.103 61.7 -63.4 -73.4 173.0 41.6 66.3 85.9 55 102 A D > - 0 0 81 1,-0.2 3,-2.0 2,-0.1 6,-0.3 -0.381 39.0-157.8 -63.7 110.1 39.8 63.8 83.6 56 103 A P T 3 S+ 0 0 2 0, 0.0 6,-0.4 0, 0.0 -1,-0.2 0.706 89.2 69.1 -62.0 -18.9 42.4 61.3 82.3 57 104 A F T 3 S+ 0 0 17 4,-0.1 2,-0.6 544,-0.1 -2,-0.1 0.568 88.9 77.1 -74.9 -10.6 40.0 60.6 79.4 58 105 A Y S X S- 0 0 82 -3,-2.0 3,-1.9 453,-0.0 4,-0.2 -0.919 105.7 -59.3-111.7 122.8 40.6 64.1 77.9 59 106 A S T 3 S- 0 0 13 451,-2.5 3,-0.3 -2,-0.6 452,-0.0 -0.145 105.5 -29.2 58.4-135.1 43.7 65.0 76.0 60 107 A T T >> S+ 0 0 41 1,-0.2 3,-1.6 2,-0.1 4,-1.0 0.053 93.6 124.8-101.8 21.2 47.0 64.7 77.8 61 108 A N G X4 + 0 0 36 -3,-1.9 3,-1.4 -6,-0.3 -1,-0.2 0.915 69.9 60.8 -43.7 -43.6 45.5 65.3 81.3 62 109 A M G >4 S+ 0 0 5 -6,-0.4 3,-1.1 -3,-0.3 -1,-0.3 0.767 96.0 58.8 -61.0 -29.7 47.0 61.9 82.3 63 110 A Q G <4 S+ 0 0 120 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.821 94.0 66.5 -66.7 -31.3 50.6 63.1 81.7 64 111 A N G << S+ 0 0 112 -3,-1.4 -1,-0.2 -4,-1.0 -2,-0.2 0.334 77.5 104.5 -75.4 6.4 50.2 66.0 84.2 65 112 A V S < S- 0 0 12 -3,-1.1 2,-0.5 -4,-0.1 -12,-0.0 -0.821 77.5-127.0 -92.1 118.2 50.0 63.5 87.0 66 113 A P - 0 0 76 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.539 26.0-173.0 -63.3 115.7 53.2 63.3 89.1 67 114 A A > + 0 0 48 -2,-0.5 3,-2.0 1,-0.2 4,-0.1 0.619 66.1 83.5 -89.5 -14.1 54.0 59.6 89.0 68 115 A A G > S+ 0 0 82 1,-0.3 3,-2.6 2,-0.2 -1,-0.2 0.919 80.9 65.6 -55.0 -44.3 56.9 59.6 91.5 69 116 A Q G 3 S+ 0 0 48 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.570 95.5 59.8 -54.7 -13.8 54.4 59.5 94.5 70 117 A F G < S+ 0 0 8 -3,-2.0 74,-0.3 92,-0.2 -1,-0.3 0.231 82.3 80.1-102.3 13.4 53.4 56.0 93.3 71 118 A S S < S+ 0 0 91 -3,-2.6 -1,-0.2 72,-0.1 -2,-0.1 0.288 92.4 57.9 -97.9 9.7 56.9 54.6 93.7 72 119 A V S S- 0 0 63 -3,-0.4 69,-0.0 -4,-0.1 -56,-0.0 -0.839 100.3 -81.7-123.2 169.3 56.3 54.2 97.4 73 120 A P - 0 0 18 0, 0.0 -58,-3.2 0, 0.0 -57,-0.4 -0.304 33.7-151.4 -70.8 157.7 53.6 52.4 99.3 74 121 A W E -EF 14 141B 2 67,-2.2 67,-3.0 -60,-0.3 2,-0.4 -0.976 15.5-128.5-120.3 139.6 50.0 53.7 100.0 75 122 A W E -EF 13 140B 0 -62,-3.2 -62,-1.1 -2,-0.4 2,-0.5 -0.726 11.3-160.9 -88.2 139.9 47.9 52.7 103.0 76 123 A Y E +EF 12 139B 2 63,-2.6 63,-2.6 -2,-0.4 2,-0.4 -0.983 24.9 177.3-114.3 117.2 44.4 51.4 102.8 77 124 A R E +EF 11 138B 11 -66,-2.2 -66,-2.7 -2,-0.5 2,-0.3 -0.969 11.7 157.3-133.3 140.0 42.7 51.8 106.1 78 125 A T E - 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0 0 45 -2,-0.3 4,-2.9 -10,-0.3 3,-1.5 -0.685 36.6 -99.7-113.5 169.0 53.8 40.6 105.0 112 159 A K T 34 S+ 0 0 62 1,-0.3 -11,-0.1 -2,-0.2 -14,-0.1 0.518 117.5 69.5 -64.3 -9.9 54.2 41.4 101.4 113 160 A D T 34 S+ 0 0 128 -14,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.800 115.1 25.8 -76.2 -32.5 56.3 38.2 101.1 114 161 A Q T <4 S+ 0 0 119 -3,-1.5 2,-1.4 1,-0.2 -2,-0.2 0.858 119.7 56.5 -91.6 -49.5 53.1 36.2 101.7 115 162 A V S < S+ 0 0 0 -4,-2.9 -15,-2.4 -15,-0.4 2,-0.4 -0.657 83.6 134.7 -88.1 82.6 50.5 38.7 100.4 116 163 A N B +K 99 0D 23 -2,-1.4 -17,-0.3 -17,-0.2 -19,-0.1 -0.990 34.9 36.1-146.7 123.4 52.0 39.0 96.9 117 164 A G S > S- 0 0 2 -19,-3.0 3,-1.3 -2,-0.4 -21,-0.4 0.370 73.8-106.7 100.2 127.2 50.5 38.9 93.4 118 165 A A T 3 S+ 0 0 0 32,-1.0 -23,-2.2 1,-0.3 -22,-0.2 0.728 114.4 43.1 -51.8 -34.9 47.2 40.3 92.1 119 166 A Y T 3 S+ 0 0 0 31,-0.5 -1,-0.3 -25,-0.2 2,-0.2 0.553 85.3 110.2 -96.7 -7.6 45.5 37.0 91.7 120 167 A T < - 0 0 5 -3,-1.3 -24,-0.3 -24,-0.2 2,-0.3 -0.507 59.0-140.6 -78.1 135.4 46.5 35.2 94.9 121 168 A R - 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0 0 11 10,-2.6 3,-1.6 4,-0.2 4,-0.5 -0.985 12.8-151.0-120.4 123.0 48.4 60.6 69.2 528 575 A Y T 34 S+ 0 0 38 -2,-0.5 -1,-0.1 1,-0.3 10,-0.0 0.828 96.9 59.2 -59.6 -31.2 48.3 60.2 73.0 529 576 A H T 34 S+ 0 0 2 74,-0.1 75,-1.3 -3,-0.1 76,-0.4 0.400 100.6 54.6 -89.9 5.6 45.0 58.3 72.6 530 577 A R T <4 S- 0 0 1 -3,-1.6 2,-0.3 7,-0.3 75,-0.2 0.701 113.2 -38.7 -87.9 -90.0 46.3 55.6 70.4 531 578 A S < - 0 0 6 5,-0.6 -1,-0.2 -4,-0.5 -372,-0.2 -0.976 22.8-136.5-148.3 146.0 49.3 53.9 72.1 532 579 A S S S+ 0 0 52 -374,-2.0 2,-0.2 -2,-0.3 5,-0.1 0.710 85.3 97.1 -64.7 -26.6 52.4 54.3 74.1 533 580 A S S S- 0 0 26 -375,-0.3 3,-0.3 -377,-0.3 -2,-0.2 -0.485 75.8-139.9 -67.6 136.0 54.1 51.9 71.7 534 581 A D S > S+ 0 0 119 1,-0.2 3,-1.0 -2,-0.2 4,-0.3 0.807 103.3 59.7 -64.9 -30.6 56.1 53.5 68.9 535 582 A T T 3 S+ 0 0 47 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.888 118.4 27.5 -64.9 -40.0 54.8 51.0 66.5 536 583 A F T 3 S+ 0 0 1 -3,-0.3 -5,-0.6 1,-0.2 -1,-0.3 -0.213 90.6 110.3-116.2 40.7 51.2 52.0 67.2 537 584 A G S < S+ 0 0 3 -3,-1.0 -10,-2.6 -7,-0.2 -7,-0.3 0.766 78.7 25.7 -86.8 -27.4 51.9 55.6 68.1 538 585 A N B S-C 526 0J 42 -4,-0.3 -14,-0.2 -3,-0.2 -12,-0.2 -0.613 73.2-117.1-131.2-178.4 50.4 57.3 65.1 539 586 A L > + 0 0 0 -16,-2.7 4,-3.7 -14,-0.5 5,-0.3 -0.058 65.7 125.9-113.2 29.6 47.7 56.8 62.4 540 587 A K H > S+ 0 0 91 -17,-0.3 4,-2.8 2,-0.2 5,-0.2 0.922 73.5 43.3 -62.5 -47.9 50.0 56.8 59.4 541 588 A L H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.935 119.9 45.4 -65.7 -41.4 49.1 53.5 57.7 542 589 A F H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.945 114.0 46.6 -62.5 -55.5 45.4 54.3 58.3 543 590 A G H X S+ 0 0 0 -4,-3.7 4,-2.6 1,-0.2 5,-0.2 0.911 112.7 52.6 -51.9 -44.7 45.6 57.9 57.1 544 591 A D H X S+ 0 0 70 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.904 113.9 39.8 -62.4 -46.9 47.6 56.8 54.1 545 592 A A H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.820 112.7 58.0 -74.0 -32.6 45.1 54.1 53.0 546 593 A L H X>S+ 0 0 3 -4,-2.8 4,-2.7 -5,-0.2 5,-0.7 0.975 111.5 39.9 -58.0 -57.2 42.2 56.4 53.9 547 594 A T H X5S+ 0 0 64 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.946 119.2 48.2 -54.0 -52.8 43.4 59.1 51.5 548 595 A K H <5S+ 0 0 137 -4,-2.3 198,-0.2 -5,-0.2 -2,-0.2 0.904 122.3 30.9 -55.7 -47.5 44.3 56.6 48.8 549 596 A R H <5S+ 0 0 1 -4,-3.0 196,-3.2 1,-0.1 197,-0.5 0.854 134.9 22.3 -89.8 -40.0 41.1 54.6 48.9 550 597 A Y H <5S- 0 0 3 -4,-2.7 -3,-0.2 -5,-0.4 199,-0.2 0.486 115.1-102.8-102.7 -8.9 38.4 57.1 49.8 551 598 A G << - 0 0 15 -4,-1.6 -1,-0.2 -5,-0.7 -3,-0.2 0.019 51.0 -48.8 96.1 151.6 40.2 60.2 48.7 552 599 A A - 0 0 68 -5,-0.1 2,-0.4 1,-0.1 -5,-0.0 -0.150 63.4-107.8 -53.5 145.9 42.0 63.0 50.6 553 600 A S - 0 0 22 -33,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.649 21.8-165.1 -86.6 131.9 40.2 64.6 53.5 554 601 A A S S- 0 0 74 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.682 70.8 -26.3 -85.1 -21.2 38.9 68.1 53.1 555 602 A N S > S- 0 0 77 1,-0.1 4,-2.8 -35,-0.0 -1,-0.2 -0.952 80.2 -70.6-176.2-179.3 38.3 68.6 56.9 556 603 A L H > S+ 0 0 27 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.930 127.9 50.4 -57.9 -50.9 37.6 66.9 60.2 557 604 A N H > S+ 0 0 105 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.895 112.0 48.9 -55.0 -43.9 34.1 65.9 59.3 558 605 A D H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 111.4 49.1 -61.3 -48.6 35.3 64.5 56.0 559 606 A F H X S+ 0 0 3 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.924 114.7 45.3 -55.9 -45.9 38.0 62.5 57.7 560 607 A V H X S+ 0 0 10 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.949 110.7 51.5 -68.8 -48.9 35.5 61.1 60.3 561 608 A R H X S+ 0 0 85 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.925 116.0 42.3 -52.3 -48.5 32.8 60.2 57.7 562 609 A K H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.860 108.9 59.8 -67.5 -36.5 35.4 58.3 55.7 563 610 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.916 106.6 47.2 -55.5 -44.4 36.9 56.8 58.8 564 611 A Q H X S+ 0 0 19 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.930 110.4 50.5 -67.8 -47.4 33.6 55.2 59.7 565 612 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.936 112.7 48.6 -52.6 -48.2 33.0 53.8 56.1 566 613 A S H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.872 112.9 46.2 -60.3 -41.1 36.5 52.3 56.2 567 614 A Q H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.904 113.0 49.2 -72.6 -41.9 36.0 50.7 59.7 568 615 A Y H X S+ 0 0 9 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.964 115.0 44.8 -56.5 -54.9 32.6 49.3 58.8 569 616 A E H X S+ 0 0 5 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.834 117.6 44.6 -59.5 -41.6 34.0 47.8 55.6 570 617 A N H X S+ 0 0 5 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.941 115.6 42.4 -74.2 -49.6 37.1 46.5 57.2 571 618 A V H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 5,-0.3 0.901 112.7 57.0 -66.1 -39.4 35.6 44.9 60.3 572 619 A R H X S+ 0 0 1 -4,-2.6 4,-2.6 -5,-0.4 -1,-0.2 0.936 109.6 43.8 -52.5 -52.3 32.7 43.6 58.3 573 620 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 5,-0.2 0.815 107.4 60.8 -66.9 -30.0 35.1 41.7 56.0 574 621 A E H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.921 114.7 32.9 -64.5 -44.2 37.2 40.4 58.9 575 622 A F H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.923 116.1 55.9 -77.2 -43.5 34.3 38.6 60.4 576 623 A E H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 -2,-0.2 0.925 106.7 50.3 -58.7 -48.9 32.5 37.6 57.2 577 624 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.3 0.868 111.4 48.5 -50.3 -47.4 35.6 35.9 55.8 578 625 A H H X S+ 0 0 1 -4,-1.0 4,-0.8 -5,-0.2 11,-0.2 0.888 111.5 50.5 -68.4 -37.9 36.1 33.9 59.0 579 626 A S H < S+ 0 0 1 -4,-2.9 3,-0.4 2,-0.2 4,-0.3 0.908 112.1 47.4 -61.4 -42.3 32.4 32.9 58.9 580 627 A R H >< S+ 0 0 22 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.943 112.9 46.4 -65.1 -46.2 32.7 31.8 55.3 581 628 A N H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 8,-0.6 0.517 84.9 92.4 -79.8 -7.8 35.8 29.7 55.7 582 629 A Y T 3< S+ 0 0 25 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 0.767 89.3 48.1 -54.4 -29.7 34.6 27.9 58.9 583 630 A T T < S+ 0 0 58 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 0.079 79.2 129.8-105.5 22.9 33.2 25.1 56.7 584 631 A D < - 0 0 42 -3,-1.9 -3,-0.0 1,-0.1 -4,-0.0 -0.627 58.0-140.0 -73.0 134.5 36.3 24.6 54.6 585 632 A S S S+ 0 0 120 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.739 91.8 45.9 -65.2 -23.1 37.3 20.9 54.4 586 633 A T S S- 0 0 97 1,-0.2 -1,-0.1 -289,-0.0 -2,-0.0 -0.982 129.0 -12.1-129.7 133.1 40.9 22.0 54.7 587 634 A N S S- 0 0 63 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.902 80.3-168.2 37.5 62.4 42.3 24.6 57.1 588 635 A P - 0 0 13 0, 0.0 -98,-1.9 0, 0.0 2,-0.5 -0.427 28.9-106.6 -68.8 151.2 39.0 26.0 58.2 589 636 A S E + a 0 490H 0 -8,-0.6 -98,-0.2 -100,-0.3 -5,-0.1 -0.721 40.1 176.2 -69.9 124.0 38.8 29.2 60.3 590 637 A T E + 0 0 0 -100,-2.5 -279,-1.5 -2,-0.5 -288,-0.4 0.475 58.1 8.3-110.8 -8.1 37.9 27.9 63.8 591 638 A G E -ta 311 491H 0 -101,-1.1 -99,-2.6 -281,-0.2 2,-0.3 -0.984 47.1-166.5-170.2 155.1 38.0 31.3 65.6 592 639 A L E -ta 312 492H 0 -281,-0.9 -279,-2.3 -2,-0.3 2,-0.6 -0.908 2.6-176.9-150.0 120.4 38.3 35.1 65.5 593 640 A I E -t 313 0H 0 -101,-2.4 -98,-2.1 -2,-0.3 -279,-0.3 -0.964 24.9-140.5-116.0 112.6 39.0 37.4 68.3 594 641 A Y E -ta 314 495H 2 -281,-2.8 -279,-2.3 -2,-0.6 2,-0.7 -0.456 30.1-101.5 -67.8 142.7 38.8 41.0 67.0 595 642 A W S S- 0 0 5 -100,-1.4 -97,-0.3 1,-0.3 12,-0.3 -0.868 96.1 -0.9-111.1 101.3 41.5 43.2 68.6 596 643 A M - 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0 0 14 -4,-1.0 -3,-0.2 -5,-0.4 -1,-0.2 0.233 53.7 -51.6 84.6 148.0 -2.9 26.1 142.2 1404 599 B A - 0 0 70 -5,-0.2 2,-0.3 1,-0.1 -8,-0.0 -0.074 63.8-103.6 -51.2 149.2 -0.9 23.3 140.7 1405 600 B S - 0 0 22 -33,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.591 22.4-164.9 -80.5 136.9 -2.5 21.1 138.0 1406 601 B A S S- 0 0 76 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.656 71.4 -26.8 -92.4 -20.0 -3.7 17.6 138.9 1407 602 B N S > S- 0 0 73 1,-0.1 4,-1.6 -35,-0.0 -1,-0.2 -0.937 82.0 -70.4-175.8-177.7 -4.0 16.4 135.2 1408 603 B L H > S+ 0 0 28 -2,-0.3 4,-2.8 1,-0.2 3,-0.4 0.934 129.1 51.8 -59.5 -48.5 -4.6 17.7 131.7 1409 604 B N H > S+ 0 0 100 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.845 109.2 50.8 -54.3 -41.8 -8.2 18.6 132.4 1410 605 B D H > S+ 0 0 14 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.802 111.8 48.3 -65.2 -33.4 -7.2 20.6 135.4 1411 606 B F H X S+ 0 0 3 -4,-1.6 4,-2.7 -3,-0.4 -2,-0.2 0.934 113.6 45.2 -74.3 -45.4 -4.6 22.5 133.3 1412 607 B V H X S+ 0 0 9 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.930 111.6 50.3 -67.6 -46.7 -7.0 23.3 130.5 1413 608 B R H X S+ 0 0 81 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.837 115.0 45.5 -60.8 -33.3 -9.9 24.4 132.7 1414 609 B K H X S+ 0 0 1 -4,-1.0 4,-2.9 2,-0.2 5,-0.2 0.866 107.7 56.6 -78.5 -40.1 -7.5 26.7 134.6 1415 610 B A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.923 106.2 51.8 -52.2 -45.9 -5.9 28.0 131.4 1416 611 B Q H X S+ 0 0 18 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.937 110.8 47.0 -59.1 -46.6 -9.4 29.1 130.3 1417 612 B L H X S+ 0 0 0 -4,-1.4 4,-3.0 1,-0.2 5,-0.2 0.954 114.3 46.2 -60.6 -51.3 -10.0 30.9 133.5 1418 613 B S H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.895 115.3 47.5 -57.8 -40.9 -6.6 32.7 133.4 1419 614 B Q H X S+ 0 0 5 -4,-2.8 4,-3.0 -5,-0.2 5,-0.3 0.918 114.8 44.7 -67.3 -45.1 -7.1 33.6 129.7 1420 615 B Y H X S+ 0 0 7 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.979 115.1 49.4 -58.0 -60.1 -10.6 34.9 130.2 1421 616 B E H X S+ 0 0 4 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.855 118.4 39.2 -42.9 -48.8 -9.5 36.8 133.3 1422 617 B N H X S+ 0 0 4 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.950 114.4 48.2 -78.4 -50.9 -6.5 38.3 131.6 1423 618 B V H X S+ 0 0 3 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.931 112.7 53.0 -55.1 -46.2 -7.9 39.1 128.1 1424 619 B R H X S+ 0 0 1 -4,-2.6 4,-3.3 -5,-0.3 3,-0.3 0.960 110.7 44.5 -52.2 -58.7 -10.9 40.7 129.8 1425 620 B A H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.879 109.0 58.0 -55.3 -43.7 -8.8 43.0 132.0 1426 621 B E H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.937 116.1 34.6 -51.4 -47.5 -6.6 43.9 129.1 1427 622 B F H X S+ 0 0 0 -4,-2.1 4,-2.0 -3,-0.3 -2,-0.2 0.906 115.3 54.8 -78.7 -41.0 -9.6 45.2 127.2 1428 623 B E H X S+ 0 0 0 -4,-3.3 4,-2.2 -5,-0.2 5,-0.2 0.922 105.8 51.9 -61.5 -45.1 -11.5 46.6 130.1 1429 624 B S H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.896 110.1 48.9 -55.4 -46.6 -8.7 48.8 131.3 1430 625 B H H X S+ 0 0 0 -4,-1.1 4,-0.6 -5,-0.3 -1,-0.2 0.849 110.5 51.7 -65.2 -35.4 -8.2 50.4 127.8 1431 626 B S H < S+ 0 0 2 -4,-2.0 3,-0.5 2,-0.2 4,-0.3 0.903 112.5 46.0 -63.5 -42.1 -12.0 51.0 127.6 1432 627 B R H >< S+ 0 0 18 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.912 113.3 46.5 -71.4 -43.8 -11.9 52.8 131.0 1433 628 B N H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.2 8,-0.9 0.487 86.4 91.0 -81.7 -2.8 -8.9 55.0 130.4 1434 629 B Y T 3< S+ 0 0 25 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 0.796 90.8 45.9 -60.1 -31.9 -10.1 56.1 126.9 1435 630 B T T < S+ 0 0 64 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.218 81.0 126.6-100.6 13.7 -11.8 59.1 128.5 1436 631 B D < - 0 0 43 -3,-1.6 3,-0.1 1,-0.1 -3,-0.0 -0.446 58.6-140.7 -62.5 143.5 -8.9 60.1 130.8 1437 632 B S S S+ 0 0 112 1,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.695 90.0 48.2 -81.2 -16.6 -8.1 63.8 130.3 1438 633 B T S S- 0 0 94 1,-0.2 -1,-0.2 -289,-0.0 -2,-0.1 -0.985 129.4 -12.1-128.9 117.1 -4.4 63.0 130.6 1439 634 B N S S- 0 0 55 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.1 0.935 80.7-168.0 63.6 48.3 -2.7 60.1 128.7 1440 635 B P - 0 0 13 0, 0.0 -98,-1.9 0, 0.0 2,-0.3 -0.314 28.0-110.0 -66.3 154.4 -5.9 58.4 127.6 1441 636 B S E + r 01342X 0 -8,-0.9 -98,-0.2 -100,-0.3 -5,-0.1 -0.655 38.7 179.2 -69.5 139.8 -5.7 55.0 126.1 1442 637 B T E + 0 0 0 -100,-2.7 -279,-1.5 1,-0.4 -288,-0.4 0.496 56.2 6.2-127.1 -7.4 -6.5 55.5 122.4 1443 638 B G E -kr11631343X 0 -101,-1.1 -99,-2.4 -281,-0.2 -1,-0.4 -0.941 48.8-163.3-169.4 151.9 -6.2 52.0 120.9 1444 639 B L E -kr11641344X 0 -281,-2.9 -279,-2.4 -2,-0.3 2,-0.6 -0.947 4.0-176.9-140.5 119.9 -5.8 48.4 121.7 1445 640 B I E -k 1165 0X 0 -101,-2.5 -98,-1.7 -2,-0.4 -279,-0.3 -0.949 25.2-139.4-112.7 107.6 -4.8 45.7 119.2 1446 641 B Y E -kr11661347X 1 -281,-3.5 -279,-2.3 -2,-0.6 2,-0.8 -0.451 28.9-103.0 -62.2 131.8 -4.7 42.3 121.0 1447 642 B W S S+ 0 0 4 -100,-2.7 -97,-0.3 1,-0.3 11,-0.2 -0.827 96.3 0.1 -97.6 99.5 -1.8 40.1 119.9 1448 643 B M - 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