==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUN-99 1QI3 . COMPND 2 MOLECULE: PROTEIN (EXO-MALTOTETRAOHYDROLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR K.HASEGAWA,M.KUBOTA,Y.MATSUURA . 418 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 4 1.0 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 . 1 0.2 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 . 26 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 1 0 0 0 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 PARALLEL BRIDGES PER LADDER . 4 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 D 0 0 116 0, 0.0 13,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 100.5 15.9 124.2 23.1 2 2 A Q - 0 0 107 1,-0.1 14,-0.3 12,-0.1 13,-0.1 -0.365 360.0-168.9 -62.3 143.8 12.6 122.7 22.1 3 3 A A + 0 0 52 11,-0.2 10,-0.2 12,-0.1 -1,-0.1 0.144 30.8 116.2-134.2 29.7 12.5 119.0 23.0 4 4 A G - 0 0 38 9,-0.1 10,-2.5 8,-0.1 9,-0.3 -0.176 60.2-101.1 -91.4-173.1 9.7 116.9 21.6 5 5 A K - 0 0 64 8,-0.2 6,-0.2 1,-0.2 -1,-0.1 -0.587 46.0 -98.8 -93.2 154.7 9.2 114.0 19.3 6 6 A S > - 0 0 9 4,-2.4 3,-2.2 -2,-0.2 -1,-0.2 -0.178 43.1 -92.2 -70.8 173.1 8.0 114.5 15.7 7 7 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 274,-0.1 0.683 132.7 49.7 -60.5 -16.7 4.4 114.1 14.7 8 8 A N T 3 S- 0 0 61 2,-0.1 -2,-0.0 273,-0.1 242,-0.0 0.086 124.1-105.5-107.7 15.8 5.4 110.4 13.8 9 9 A A < + 0 0 41 -3,-2.2 2,-0.4 1,-0.2 -4,-0.0 0.663 67.4 154.8 64.9 27.1 7.1 110.0 17.2 10 10 A V - 0 0 1 1,-0.1 -4,-2.4 241,-0.1 2,-2.2 -0.686 51.4-118.7 -83.7 134.9 10.6 110.2 15.8 11 11 A R + 0 0 5 239,-2.4 205,-1.5 -2,-0.4 -6,-0.1 -0.412 62.2 138.1 -75.3 68.8 13.2 111.3 18.3 12 12 A Y > - 0 0 17 -2,-2.2 3,-1.8 203,-0.2 5,-0.4 0.336 61.4-129.2 -96.1 6.4 14.4 114.5 16.7 13 13 A H G > S- 0 0 28 201,-0.3 3,-0.8 1,-0.3 -8,-0.2 0.912 76.2 -35.5 45.5 62.0 14.4 116.5 19.9 14 14 A G G 3 S- 0 0 2 -10,-2.5 -1,-0.3 1,-0.2 -11,-0.2 0.151 87.3-102.9 85.7 -19.0 12.4 119.5 18.8 15 15 A G G < S+ 0 0 1 -3,-1.8 344,-2.8 -11,-0.2 -1,-0.2 0.664 100.7 102.2 73.5 20.8 13.9 119.5 15.3 16 16 A D < + 0 0 48 -3,-0.8 2,-0.1 -14,-0.3 -2,-0.1 0.137 44.9 127.8-120.4 22.0 16.1 122.4 16.2 17 17 A E - 0 0 1 -5,-0.4 2,-0.4 34,-0.1 34,-0.1 -0.457 36.7-167.7 -84.5 153.8 19.6 120.8 16.8 18 18 A I - 0 0 5 310,-0.1 34,-2.9 -2,-0.1 35,-1.3 -0.956 23.0-157.9-136.2 108.8 22.8 121.8 15.2 19 19 A I E -ab 53 330A 2 310,-2.4 312,-2.4 -2,-0.4 2,-0.5 -0.803 15.4-153.8-104.0 143.3 25.4 119.1 15.8 20 20 A L E -ab 54 331A 0 33,-2.1 35,-2.4 -2,-0.3 2,-0.9 -0.956 21.0-133.3-108.1 128.2 29.2 119.1 15.8 21 21 A Q E -ab 55 332A 0 310,-3.3 312,-0.8 -2,-0.5 2,-0.3 -0.758 23.5-149.7 -79.0 111.6 30.9 115.8 15.1 22 22 A G + 0 0 0 33,-2.1 2,-0.3 -2,-0.9 -1,-0.1 0.073 61.8 23.2 -73.7 26.0 33.4 115.9 17.9 23 23 A F - 0 0 2 -2,-0.3 310,-0.5 33,-0.1 2,-0.3 -0.956 60.3-135.2-172.3 171.2 36.4 114.0 16.4 24 24 A H > - 0 0 8 -2,-0.3 3,-1.2 309,-0.1 274,-0.1 -0.794 43.9 -92.9-131.0 168.3 38.1 112.8 13.2 25 25 A W T 3 S+ 0 0 26 -2,-0.3 3,-0.4 1,-0.2 273,-0.1 0.791 117.5 48.8 -57.0 -39.8 39.5 109.3 12.4 26 26 A N T >> S+ 0 0 1 273,-0.3 4,-2.4 1,-0.2 3,-1.1 0.156 73.0 109.9 -91.9 15.3 43.1 109.9 13.6 27 27 A V H <> S+ 0 0 0 -3,-1.2 4,-3.2 1,-0.3 7,-0.2 0.865 76.6 54.3 -56.5 -45.8 42.5 111.4 17.0 28 28 A V H 34 S+ 0 0 10 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.715 117.4 40.0 -63.5 -17.2 43.8 108.4 18.9 29 29 A R H <4 S+ 0 0 66 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.765 122.6 37.6 -98.9 -36.3 47.0 108.7 16.9 30 30 A E H < S+ 0 0 108 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.813 134.1 21.0 -86.7 -34.2 47.4 112.5 16.8 31 31 A A S >X S- 0 0 15 -4,-3.2 3,-2.5 -5,-0.2 4,-1.0 -0.493 84.7-164.8-137.1 58.2 46.2 113.3 20.4 32 32 A P T 34 S- 0 0 68 0, 0.0 57,-0.2 0, 0.0 -4,-0.1 -0.255 73.4 -13.4 -51.9 122.5 46.6 110.0 22.2 33 33 A N T 34 S+ 0 0 92 55,-3.1 58,-0.3 1,-0.1 56,-0.2 0.571 122.1 88.0 58.6 14.3 44.8 109.9 25.5 34 34 A D T X> + 0 0 72 -3,-2.5 4,-2.1 54,-0.3 3,-0.7 0.477 51.2 97.0-118.5 -7.5 44.3 113.7 25.3 35 35 A W H 3X S+ 0 0 14 -4,-1.0 4,-2.3 53,-0.3 55,-0.2 0.843 83.9 49.6 -52.9 -48.9 41.1 114.1 23.3 36 36 A Y H 3> S+ 0 0 4 53,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.791 109.8 52.9 -63.0 -31.2 38.8 114.5 26.3 37 37 A N H <> S+ 0 0 25 -3,-0.7 4,-2.1 52,-0.3 -1,-0.2 0.905 109.0 50.8 -66.6 -44.2 41.1 117.2 27.7 38 38 A I H X S+ 0 0 44 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.913 111.1 47.0 -59.3 -46.9 41.0 119.0 24.4 39 39 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.844 109.2 53.8 -64.5 -37.8 37.1 118.9 24.3 40 40 A R H < S+ 0 0 91 -4,-1.7 3,-0.4 1,-0.2 4,-0.3 0.927 111.8 45.8 -62.2 -43.8 36.9 120.1 28.0 41 41 A Q H < S+ 0 0 126 -4,-2.1 3,-0.3 1,-0.2 4,-0.2 0.800 116.3 45.0 -69.2 -29.8 39.1 123.1 27.0 42 42 A Q H X S+ 0 0 65 -4,-1.5 4,-3.1 1,-0.2 3,-0.3 0.463 82.9 100.8 -91.1 -10.1 37.1 123.8 23.8 43 43 A A H X S+ 0 0 4 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.829 83.1 46.9 -43.5 -49.6 33.6 123.4 25.4 44 44 A A H > S+ 0 0 71 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.882 113.6 49.7 -64.1 -40.8 33.1 127.2 25.7 45 45 A T H > S+ 0 0 54 -3,-0.3 4,-1.8 -4,-0.2 -2,-0.2 0.916 110.5 48.9 -63.8 -48.8 34.2 127.7 22.1 46 46 A I H X>S+ 0 0 0 -4,-3.1 5,-1.4 1,-0.2 4,-0.6 0.895 113.2 47.6 -59.1 -43.3 31.9 125.0 20.8 47 47 A A H ><5S+ 0 0 31 -4,-2.1 3,-1.1 -5,-0.3 -2,-0.2 0.931 111.5 50.1 -65.6 -44.0 29.0 126.5 22.7 48 48 A A H 3<5S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 101.9 63.0 -63.7 -30.4 29.8 130.0 21.4 49 49 A D H 3<5S- 0 0 13 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.686 120.8-105.8 -70.4 -20.6 30.0 128.7 17.8 50 50 A G T <<5 + 0 0 6 -3,-1.1 2,-0.2 -4,-0.6 -3,-0.2 0.508 67.0 146.3 111.0 4.4 26.3 127.8 18.0 51 51 A F < - 0 0 7 -5,-1.4 -1,-0.3 1,-0.1 -32,-0.2 -0.581 29.8-167.6 -76.2 137.6 26.3 124.0 18.3 52 52 A S S S+ 0 0 20 -34,-2.9 56,-2.2 -2,-0.2 2,-0.3 0.464 72.8 18.9-101.0 -9.1 23.5 122.5 20.4 53 53 A A E -ac 19 108A 1 -35,-1.3 -33,-2.1 54,-0.3 2,-0.4 -0.986 62.2-145.6-159.4 156.3 25.0 119.0 20.6 54 54 A I E -ac 20 109A 0 54,-2.3 56,-3.5 -2,-0.3 2,-0.8 -0.997 14.4-139.4-131.2 132.3 28.2 117.2 20.1 55 55 A W E -ac 21 110A 5 -35,-2.4 -33,-2.1 -2,-0.4 56,-0.2 -0.839 29.3-156.8 -92.7 105.7 28.6 113.6 18.7 56 56 A M E - c 0 111A 1 54,-3.4 56,-1.0 -2,-0.8 135,-0.1 -0.478 19.6-101.3 -82.7 155.2 31.3 112.1 20.9 57 57 A P - 0 0 0 0, 0.0 55,-0.4 0, 0.0 -1,-0.1 -0.208 59.6 -66.6 -66.8 171.5 33.5 109.2 19.9 58 58 A V - 0 0 1 18,-0.5 55,-0.1 1,-0.2 4,-0.1 -0.475 44.5-156.7 -62.8 122.2 32.8 105.6 21.1 59 59 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.654 64.8 98.4 -75.4 -21.8 33.4 105.7 24.9 60 60 A W S S- 0 0 2 17,-0.1 25,-0.2 1,-0.1 23,-0.2 -0.560 87.9-104.6 -70.9 123.4 34.0 102.0 25.1 61 61 A R - 0 0 31 23,-2.6 20,-1.6 -2,-0.3 21,-0.7 -0.214 36.3-168.0 -58.7 138.5 37.8 101.3 25.2 62 62 A D + 0 0 3 13,-0.3 26,-0.2 18,-0.2 18,-0.2 -0.969 22.0 165.0-133.3 114.0 39.3 99.9 21.9 63 63 A F + 0 0 48 -2,-0.4 17,-0.1 16,-0.3 -1,-0.1 0.011 36.1 135.2-116.3 25.5 42.8 98.5 21.8 64 64 A S - 0 0 17 15,-0.3 2,-0.3 58,-0.0 -2,-0.1 -0.142 32.7-169.3 -68.8 167.4 42.4 96.8 18.4 65 65 A S + 0 0 109 9,-0.1 2,-0.3 10,-0.1 9,-0.2 -0.929 8.9 169.2-159.2 138.5 45.1 97.0 15.7 66 66 A W E -I 73 0B 103 7,-1.7 7,-1.8 -2,-0.3 2,-0.3 -0.966 8.0-173.7-152.5 161.4 45.0 96.0 12.0 67 67 A S E +I 72 0B 88 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.902 12.9 173.8-164.0 133.3 47.1 96.4 8.9 68 68 A D E > S-I 71 0B 105 3,-2.7 3,-1.1 -2,-0.3 2,-0.6 -0.803 72.1 -53.1-146.6 92.6 46.9 95.6 5.2 69 69 A G T 3 S- 0 0 77 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.709 122.9 -9.7 85.7-121.7 49.7 97.0 3.2 70 70 A S T 3 S+ 0 0 103 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.2 0.635 120.2 89.1 -79.7 -27.4 50.3 100.7 3.8 71 71 A K E < +I 68 0B 84 -3,-1.1 -3,-2.7 231,-0.0 2,-0.3 -0.687 49.5 162.0 -84.8 128.1 47.0 101.0 5.6 72 72 A S E +I 67 0B 41 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.915 3.1 149.8-140.6 161.3 46.8 100.5 9.4 73 73 A G E +I 66 0B 6 -7,-1.8 -7,-1.7 -2,-0.3 2,-0.1 -0.909 2.9 133.3-167.8-170.0 44.2 101.4 12.1 74 74 A G + 0 0 9 -2,-0.3 -9,-0.1 -9,-0.2 -12,-0.1 -0.187 51.5 61.8 119.9 153.0 42.6 100.5 15.4 75 75 A G + 0 0 1 4,-0.1 13,-0.4 -2,-0.1 -13,-0.3 0.395 65.3 116.3 83.9 5.3 41.6 102.0 18.8 76 76 A E S S- 0 0 6 -15,-0.1 -18,-0.5 12,-0.1 -49,-0.1 0.582 90.9-101.1 -76.9 -15.3 39.1 104.4 17.3 77 77 A G S > S+ 0 0 1 -20,-0.1 3,-0.7 -18,-0.1 -17,-0.1 0.094 97.5 101.5 117.0 -18.3 36.2 102.7 19.1 78 78 A Y T 3 S+ 0 0 29 1,-0.3 39,-0.1 -16,-0.1 -16,-0.0 0.486 89.3 42.6 -78.9 -0.3 34.5 100.5 16.4 79 79 A F T 3 S+ 0 0 52 -19,-0.1 -15,-0.3 40,-0.1 -16,-0.3 -0.428 82.7 165.4-140.4 55.5 36.1 97.3 17.7 80 80 A W < - 0 0 0 -3,-0.7 39,-3.6 37,-0.2 -18,-0.2 -0.293 28.8-156.4 -67.5 156.0 35.8 97.8 21.5 81 81 A H - 0 0 0 -20,-1.6 46,-0.4 1,-0.3 2,-0.3 0.619 69.6 -7.3-111.7 -22.1 36.3 94.9 23.9 82 82 A D S S- 0 0 0 -21,-0.7 -1,-0.3 2,-0.2 -21,-0.2 -0.933 74.7 -96.4-160.6 173.3 34.3 96.0 27.1 83 83 A F S S+ 0 0 28 -2,-0.3 2,-0.2 -23,-0.2 -3,-0.0 0.271 73.2 131.2 -84.0 8.9 32.5 99.1 28.4 84 84 A N - 0 0 38 1,-0.1 -23,-2.6 -23,-0.1 -2,-0.2 -0.541 51.2-148.8 -66.4 133.1 35.5 100.4 30.4 85 85 A K S S+ 0 0 8 -25,-0.2 2,-1.5 -2,-0.2 -1,-0.1 0.362 70.3 101.5 -88.0 3.5 35.9 104.1 29.5 86 86 A N + 0 0 76 5,-0.1 5,-0.2 -25,-0.1 -1,-0.1 -0.645 58.6 129.5 -89.0 79.5 39.8 104.1 30.0 87 87 A G S S- 0 0 10 -2,-1.5 3,-0.5 3,-1.3 -26,-0.1 -0.148 75.4 -66.0-112.2-157.5 40.5 104.0 26.2 88 88 A R S S+ 0 0 99 -13,-0.4 -55,-3.1 -26,-0.2 -54,-0.3 0.514 123.6 60.4 -82.4 -5.6 42.6 105.9 23.7 89 89 A Y S S- 0 0 7 1,-0.4 -53,-2.0 -56,-0.2 -52,-0.3 0.643 121.4 -76.8 -91.7 -22.8 40.7 109.1 23.9 90 90 A G - 0 0 3 -3,-0.5 -3,-1.3 -55,-0.2 -1,-0.4 -0.822 61.9 -48.9 146.3-179.1 41.4 109.6 27.7 91 91 A S > - 0 0 32 -58,-0.3 4,-2.0 -2,-0.3 5,-0.1 -0.115 47.0-106.9 -79.9 173.6 40.4 108.2 31.0 92 92 A D H > S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.941 122.6 53.2 -62.7 -47.0 37.0 107.7 32.6 93 93 A A H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 109.2 48.0 -57.1 -44.9 37.7 110.7 34.8 94 94 A Q H > S+ 0 0 45 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.832 109.4 53.3 -66.3 -33.8 38.5 112.9 31.8 95 95 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.927 108.7 48.6 -66.3 -49.2 35.4 111.8 30.0 96 96 A R H X S+ 0 0 92 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.920 114.5 46.5 -56.8 -43.2 33.2 112.7 33.0 97 97 A Q H X S+ 0 0 82 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.905 113.6 48.9 -63.6 -47.3 35.0 116.1 33.1 98 98 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.917 112.8 46.2 -57.5 -50.9 34.6 116.6 29.4 99 99 A A H X S+ 0 0 6 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.795 112.5 52.1 -65.1 -31.4 30.9 115.7 29.4 100 100 A S H X S+ 0 0 84 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.885 110.5 46.7 -70.9 -43.2 30.4 118.0 32.4 101 101 A A H X S+ 0 0 29 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 115.1 46.2 -64.8 -48.3 32.1 120.9 30.7 102 102 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 -2,-0.2 0.929 116.1 44.6 -58.9 -51.2 30.1 120.4 27.5 103 103 A G H ><5S+ 0 0 44 -4,-2.0 3,-0.9 3,-0.2 -1,-0.2 0.794 109.6 57.2 -63.0 -34.4 26.8 120.0 29.3 104 104 A G H 3<5S+ 0 0 68 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.849 104.9 51.5 -65.1 -41.5 27.7 123.0 31.5 105 105 A A T 3<5S- 0 0 42 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.281 126.7-101.4 -79.3 5.0 28.0 125.1 28.4 106 106 A G T < 5S+ 0 0 58 -3,-0.9 2,-0.6 1,-0.2 -3,-0.2 0.626 80.2 133.2 82.8 18.3 24.6 124.0 27.1 107 107 A V < - 0 0 2 -5,-2.8 -54,-0.3 -6,-0.2 -1,-0.2 -0.916 51.9-136.7-102.7 117.0 25.9 121.4 24.6 108 108 A K E -c 53 0A 34 -56,-2.2 -54,-2.3 -2,-0.6 2,-0.5 -0.457 18.3-129.8 -65.9 143.1 24.1 118.0 24.8 109 109 A V E -cd 54 187A 1 77,-0.7 79,-3.5 -56,-0.2 80,-0.7 -0.846 20.2-168.0-105.2 124.6 26.5 115.0 24.5 110 110 A L E -cd 55 189A 1 -56,-3.5 -54,-3.4 -2,-0.5 2,-0.4 -0.960 12.1-147.4-106.2 125.2 25.6 112.3 22.0 111 111 A Y E -cd 56 190A 0 78,-2.4 80,-3.1 -2,-0.5 2,-0.4 -0.796 11.5-129.8 -98.9 142.8 27.6 109.0 22.3 112 112 A D E - d 0 191A 0 -56,-1.0 2,-0.4 -55,-0.4 80,-0.2 -0.737 31.9-165.4 -79.9 125.7 28.5 106.9 19.3 113 113 A V E - d 0 192A 0 78,-3.1 80,-2.6 -2,-0.4 -35,-0.0 -0.975 16.3-160.3-125.8 137.6 27.4 103.3 20.3 114 114 A V + 0 0 0 -2,-0.4 3,-0.5 78,-0.2 -34,-0.1 -0.747 23.8 158.0-116.9 77.7 28.4 100.0 18.5 115 115 A P + 0 0 0 0, 0.0 48,-0.2 0, 0.0 -1,-0.1 0.643 59.7 76.3 -75.2 -17.7 25.9 97.3 19.4 116 116 A N S S- 0 0 0 77,-0.3 47,-2.0 46,-0.1 2,-0.3 0.802 105.2 -11.2 -65.5 -41.2 26.7 95.1 16.4 117 117 A H B -J 162 0C 4 -3,-0.5 2,-0.3 45,-0.3 -37,-0.2 -0.898 53.8-155.1-153.0 175.3 30.0 93.5 17.4 118 118 A M - 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0 0 12 -2,-0.3 3,-1.2 1,-0.1 4,-0.8 -0.381 30.6-138.1 -66.3 137.3 16.8 95.2 13.6 200 200 A P H >> S+ 0 0 12 0, 0.0 4,-1.5 0, 0.0 3,-1.0 0.876 105.0 61.6 -56.1 -44.0 15.5 98.8 13.4 201 201 A E H 3> S+ 0 0 91 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.751 94.9 60.3 -56.3 -30.2 12.9 97.9 16.0 202 202 A R H <> S+ 0 0 37 -3,-1.2 4,-2.5 2,-0.2 -1,-0.3 0.832 101.0 54.6 -68.1 -33.4 15.6 97.0 18.5 203 203 A V H < + 0 0 0 -4,-2.6 3,-2.4 -5,-0.3 -3,-0.2 -0.155 60.9 162.8-160.7 57.6 16.4 107.5 26.9 212 212 A D T 3 S+ 0 0 51 -4,-0.5 -4,-0.1 1,-0.3 -5,-0.1 0.748 82.9 42.4 -52.6 -37.1 12.9 107.8 25.3 213 213 A N T 3 S+ 0 0 111 -6,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.233 97.9 102.1 -97.1 8.9 13.0 111.5 25.2 214 214 A S S < S- 0 0 9 -3,-2.4 2,-0.3 -7,-0.2 -201,-0.3 -0.208 78.1 -98.6 -83.6 177.3 16.6 111.8 24.0 215 215 A F E -e 189 0A 2 -27,-1.9 -25,-1.6 -203,-0.1 2,-0.3 -0.756 41.8-179.9 -95.4 142.5 17.9 112.4 20.5 216 216 A b E -e 190 0A 0 -205,-1.5 2,-0.3 -2,-0.3 -25,-0.2 -0.980 11.4-171.6-143.3 153.7 19.1 109.5 18.4 217 217 A V E -e 191 0A 5 -27,-1.6 -25,-2.9 -2,-0.3 2,-0.4 -0.979 12.6-146.4-146.1 137.3 20.5 109.1 14.9 218 218 A G E -ef 192 253A 0 34,-1.8 36,-2.3 -2,-0.3 2,-1.0 -0.883 8.4-142.0-108.7 139.2 21.1 106.0 12.9 219 219 A E + 0 0 13 -27,-2.5 -24,-1.6 -2,-0.4 2,-0.7 -0.822 28.2 170.2 -97.5 97.1 24.0 105.4 10.5 220 220 A L + 0 0 7 -2,-1.0 2,-0.6 34,-0.2 36,-0.2 -0.930 2.2 168.7-110.3 101.4 22.4 103.3 7.6 221 221 A W + 0 0 63 -2,-0.7 2,-0.3 2,-0.0 -25,-0.1 -0.880 29.2 119.7-112.2 89.9 24.9 103.2 4.8 222 222 A K - 0 0 22 -2,-0.6 34,-0.1 16,-0.1 19,-0.0 -0.844 47.7-145.3-158.0 112.3 23.5 100.6 2.4 223 223 A G > - 0 0 2 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.360 32.5-101.1 -80.2 161.8 22.6 101.2 -1.3 224 224 A P G > S+ 0 0 23 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.821 119.5 62.0 -46.6 -42.0 19.8 99.7 -3.3 225 225 A S G 3 S+ 0 0 105 1,-0.3 9,-0.1 10,-0.1 4,-0.1 0.518 92.6 65.8 -67.6 -7.9 22.2 97.3 -5.0 226 226 A E G < S+ 0 0 88 -3,-2.4 -1,-0.3 7,-0.1 8,-0.1 0.484 87.1 83.8 -93.8 -6.2 23.1 95.7 -1.6 227 227 A Y S < S- 0 0 22 -3,-1.6 -4,-0.0 -4,-0.3 -5,-0.0 -0.664 94.4 -91.7 -93.5 156.4 19.7 94.3 -1.1 228 228 A P > - 0 0 36 0, 0.0 3,-1.6 0, 0.0 6,-0.4 -0.230 38.1-112.5 -60.4 153.0 18.6 91.0 -2.6 229 229 A N T 3 S+ 0 0 141 1,-0.3 -2,-0.0 5,-0.1 6,-0.0 0.717 116.8 53.2 -63.0 -26.7 16.8 91.2 -6.0 230 230 A W T 3 S+ 0 0 187 4,-0.0 -1,-0.3 3,-0.0 2,-0.3 0.470 89.3 99.7 -87.4 -7.0 13.5 90.1 -4.6 231 231 A D S X S- 0 0 26 -3,-1.6 3,-1.6 1,-0.1 4,-0.4 -0.634 77.6-132.6 -80.8 136.9 13.6 92.9 -1.9 232 232 A W G > S+ 0 0 125 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.772 104.8 66.0 -58.3 -25.3 11.6 96.1 -2.7 233 233 A R G > S+ 0 0 43 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.676 81.4 73.3 -71.9 -19.3 14.8 98.0 -1.6 234 234 A N G < S+ 0 0 33 -3,-1.6 -1,-0.2 -6,-0.4 -2,-0.2 0.751 111.3 30.0 -67.0 -23.0 16.8 96.7 -4.5 235 235 A T G < S+ 0 0 124 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.176 102.1 103.2-120.6 14.6 14.9 99.0 -6.8 236 236 A A S < S- 0 0 13 -3,-1.0 2,-0.1 1,-0.1 -3,-0.1 -0.471 75.6-101.0 -94.4 167.7 14.0 101.8 -4.3 237 237 A S > - 0 0 53 -2,-0.2 4,-1.6 1,-0.1 3,-0.2 -0.402 32.5-110.4 -79.8 162.1 15.7 105.2 -4.0 238 238 A W H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.855 119.7 59.4 -59.7 -38.2 18.3 105.9 -1.3 239 239 A Q H > S+ 0 0 29 1,-0.2 4,-2.1 33,-0.2 -1,-0.2 0.855 103.9 47.6 -56.4 -46.3 15.6 108.1 0.3 240 240 A Q H > S+ 0 0 78 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.858 109.2 54.3 -67.1 -39.9 13.1 105.3 0.7 241 241 A I H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.947 114.6 38.4 -61.5 -53.5 15.6 102.9 2.2 242 242 A I H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.859 114.6 55.4 -67.4 -35.5 16.7 105.4 5.0 243 243 A K H X S+ 0 0 14 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.862 105.8 52.5 -62.2 -41.2 13.1 106.6 5.5 244 244 A D H X S+ 0 0 34 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.918 108.9 49.1 -62.4 -45.5 12.0 103.0 6.1 245 245 A W H X S+ 0 0 8 -4,-1.5 4,-2.7 1,-0.2 3,-0.4 0.908 110.3 51.9 -60.5 -44.6 14.7 102.5 8.7 246 246 A S H X>S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 5,-0.6 0.887 105.2 54.5 -62.2 -39.5 13.7 105.7 10.5 247 247 A D H <5S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.806 115.5 40.6 -63.5 -34.0 10.0 104.7 10.6 248 248 A R H <5S+ 0 0 80 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.802 120.0 39.9 -83.5 -39.5 10.9 101.5 12.4 249 249 A A H <5S- 0 0 0 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.658 95.8-136.2 -85.5 -16.6 13.6 102.8 14.8 250 250 A K T <5 + 0 0 55 -4,-1.8 -239,-2.4 -5,-0.3 -3,-0.2 0.818 67.8 113.8 59.8 33.9 11.7 106.0 15.5 251 251 A b S + 0 0 1 32,-2.5 4,-1.6 1,-0.2 34,-0.3 -0.562 50.1 157.8 -79.5 81.4 20.9 111.6 4.9 256 256 A F H > S+ 0 0 0 -2,-1.9 4,-2.2 -36,-0.2 -1,-0.2 0.639 71.6 66.1 -80.9 -12.9 23.0 109.2 2.8 257 257 A A H > S+ 0 0 3 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.912 105.3 41.5 -69.9 -46.8 20.5 110.1 -0.1 258 258 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.912 114.2 53.1 -66.2 -44.0 21.9 113.7 -0.1 259 259 A K H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.916 107.5 50.5 -58.8 -47.9 25.5 112.4 0.3 260 260 A E H X S+ 0 0 27 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.899 112.1 47.8 -61.4 -38.1 25.2 110.1 -2.7 261 261 A R H X S+ 0 0 56 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.843 109.5 52.9 -68.8 -36.5 23.8 113.1 -4.8 262 262 A M H < S+ 0 0 7 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.845 117.6 39.1 -66.2 -35.3 26.7 115.3 -3.5 263 263 A Q H < S+ 0 0 47 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.828 133.6 18.1 -82.2 -40.8 29.2 112.6 -4.7 264 264 A N H < S+ 0 0 100 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.675 113.9 59.6-109.6 -22.9 27.5 111.5 -7.9 265 265 A G S < S- 0 0 23 -4,-2.2 2,-0.2 -5,-0.3 5,-0.0 -0.265 84.0 -94.6-100.0-171.2 25.1 114.2 -9.1 266 266 A S > - 0 0 62 -2,-0.1 3,-1.6 1,-0.1 4,-0.3 -0.608 44.7 -98.7 -95.9 168.9 25.3 117.8 -10.0 267 267 A I G > S+ 0 0 22 1,-0.3 3,-1.7 -2,-0.2 4,-0.2 0.828 124.6 59.7 -56.5 -33.5 24.7 120.6 -7.5 268 268 A A G > S+ 0 0 34 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.822 98.4 59.5 -65.5 -26.3 21.2 121.0 -8.9 269 269 A D G X S+ 0 0 48 -3,-1.6 3,-2.1 1,-0.2 -1,-0.3 0.450 75.4 92.9 -78.4 -6.8 20.5 117.3 -8.0 270 270 A W G X + 0 0 2 -3,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.721 69.4 78.0 -59.3 -20.0 21.2 118.0 -4.3 271 271 A K G < S+ 0 0 86 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.480 80.1 71.0 -66.5 -3.4 17.5 118.6 -4.2 272 272 A H G < S+ 0 0 89 -3,-2.1 -1,-0.3 -15,-0.1 -33,-0.2 0.268 71.1 103.7 -99.5 11.6 17.1 114.8 -4.2 273 273 A G S X S- 0 0 0 -3,-1.5 3,-1.3 -15,-0.1 4,-0.2 -0.379 90.5-100.3 -82.5 174.6 18.4 114.0 -0.7 274 274 A L G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 11,-0.1 0.863 119.3 64.5 -60.6 -37.7 15.9 113.2 2.1 275 275 A N G 3 S+ 0 0 0 1,-0.3 -1,-0.3 51,-0.1 8,-0.1 0.558 97.2 54.7 -66.1 -12.0 16.1 116.7 3.4 276 276 A G G < S+ 0 0 8 -3,-1.3 -1,-0.3 -6,-0.1 -2,-0.2 0.376 78.6 130.5-102.0 1.0 14.6 118.3 0.3 277 277 A N < - 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