==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-07 2ECF . COMPND 2 MOLECULE: DIPEPTIDYL PEPTIDASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: STENOTROPHOMONAS MALTOPHILIA; . AUTHOR Y.NAKAJIMA,K.ITO,T.YOSHIMOTO . 700 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 65 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 2 1 1 1 1 0 0 1 2 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 3 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 . 2 4 5 4 1 6 6 1 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 . 2 0 6 2 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 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 22 A K 0 0 110 0, 0.0 2,-0.4 0, 0.0 443,-0.1 0.000 360.0 360.0 360.0 -10.2 86.7 53.8 126.6 2 23 A L - 0 0 2 505,-0.1 2,-0.3 441,-0.1 3,-0.0 -0.822 360.0-159.9-100.3 139.4 83.7 55.8 125.4 3 24 A T > - 0 0 54 -2,-0.4 4,-2.8 1,-0.1 3,-0.3 -0.909 30.3-129.1-125.4 151.2 80.3 55.4 127.2 4 25 A L H > S+ 0 0 3 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.807 112.8 57.5 -60.7 -30.5 76.6 56.0 126.5 5 26 A E H 4 S+ 0 0 92 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.891 109.9 44.5 -67.6 -38.6 76.4 57.8 129.9 6 27 A A H >4 S+ 0 0 13 -3,-0.3 3,-0.9 2,-0.2 -2,-0.2 0.971 114.3 48.9 -66.6 -55.3 79.1 60.2 128.7 7 28 A I H 3< S+ 0 0 20 -4,-2.8 6,-0.3 1,-0.3 -2,-0.2 0.912 121.0 34.2 -49.3 -54.7 77.6 60.6 125.3 8 29 A T T 3< S+ 0 0 23 -4,-2.7 673,-0.3 -5,-0.2 -1,-0.3 0.444 95.5 127.9 -85.2 1.2 74.1 61.4 126.6 9 30 A G S < S- 0 0 23 -3,-0.9 4,-0.1 -4,-0.3 672,-0.1 -0.068 74.4-114.3 -55.4 156.8 75.5 63.1 129.6 10 31 A P S S+ 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.681 100.5 79.7 -67.7 -15.6 74.4 66.6 130.6 11 32 A L S S- 0 0 118 -5,-0.2 2,-0.2 425,-0.1 -2,-0.2 -0.840 89.9-123.0-100.5 110.2 77.9 67.9 129.8 12 33 A P > - 0 0 75 0, 0.0 3,-2.0 0, 0.0 -5,-0.1 -0.269 12.9-155.1 -53.9 110.5 78.6 68.3 126.0 13 34 A L T 3 S+ 0 0 14 1,-0.3 424,-0.1 -6,-0.3 -6,-0.1 0.748 86.7 76.7 -58.6 -26.0 81.6 66.2 125.0 14 35 A S T 3 S- 0 0 36 1,-0.2 -1,-0.3 484,-0.2 423,-0.1 0.684 104.5-123.1 -61.5 -17.1 82.2 68.6 122.1 15 36 A G < - 0 0 3 -3,-2.0 -1,-0.2 394,-0.1 413,-0.1 -0.360 43.8 -30.8 100.0 175.9 83.6 71.1 124.6 16 37 A P + 0 0 65 0, 0.0 2,-0.3 0, 0.0 410,-0.1 0.113 58.8 166.1 -60.0 176.9 82.8 74.7 125.4 17 38 A T - 0 0 94 408,-0.1 2,-0.5 410,-0.0 410,-0.1 -0.943 36.9 -82.5-171.9-172.9 81.3 77.3 123.1 18 39 A L - 0 0 20 -2,-0.3 2,-0.6 408,-0.1 16,-0.1 -0.957 34.6-134.1-117.2 132.7 79.7 80.7 122.8 19 40 A M E S-A 33 0A 90 14,-0.8 14,-2.9 -2,-0.5 -2,-0.0 -0.746 79.9 -16.8 -90.3 121.5 76.0 81.2 123.3 20 41 A K E S- 0 0 75 -2,-0.6 -1,-0.2 12,-0.2 2,-0.2 0.919 82.0-167.6 54.6 54.2 74.2 83.4 120.8 21 42 A P E + 0 0 48 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.525 10.6 173.6 -75.7 137.2 77.3 85.0 119.3 22 43 A K E -A 31 0A 69 9,-2.6 9,-1.5 -2,-0.2 2,-0.6 -0.965 28.0-126.5-141.5 157.3 76.8 88.1 117.1 23 44 A V E -A 30 0A 21 -2,-0.3 371,-0.4 7,-0.2 7,-0.2 -0.920 29.1-118.1-112.5 119.5 78.9 90.7 115.4 24 45 A A > - 0 0 0 5,-1.9 3,-2.9 -2,-0.6 371,-0.3 -0.188 27.8-116.6 -51.3 137.0 78.2 94.4 115.9 25 46 A P T 3 S+ 0 0 16 0, 0.0 370,-0.7 0, 0.0 -1,-0.1 0.722 116.2 47.1 -48.0 -29.5 77.2 96.1 112.6 26 47 A D T 3 S- 0 0 71 368,-0.1 -2,-0.1 369,-0.1 367,-0.1 0.309 111.9-118.6 -99.0 8.9 80.3 98.4 112.9 27 48 A G S < S+ 0 0 10 -3,-2.9 23,-0.1 2,-0.2 3,-0.1 0.650 75.5 130.8 65.0 14.5 82.7 95.5 113.7 28 49 A S S S- 0 0 35 1,-0.1 22,-2.1 22,-0.1 23,-0.7 0.856 73.2 -14.9 -67.2 -37.4 83.5 97.1 117.0 29 50 A R E - B 0 49A 39 20,-0.2 -5,-1.9 21,-0.1 2,-0.5 -0.933 56.8-117.1-156.2 177.6 82.9 94.0 119.1 30 51 A V E -AB 23 48A 1 18,-1.5 18,-1.0 -2,-0.3 2,-0.2 -0.965 31.7-158.3-128.8 111.0 81.5 90.5 119.3 31 52 A T E +AB 22 47A 0 -9,-1.5 -9,-2.6 -2,-0.5 2,-0.3 -0.626 17.1 163.9 -94.1 150.2 78.7 89.9 121.8 32 53 A F E - B 0 46A 7 14,-1.8 14,-2.4 -2,-0.2 2,-0.3 -0.977 35.4-106.2-157.9 154.8 77.6 86.6 123.4 33 54 A L E +AB 19 45A 5 -14,-2.9 -14,-0.8 -2,-0.3 2,-0.3 -0.650 34.9 176.2 -89.9 143.7 75.5 85.5 126.3 34 55 A R E - B 0 44A 102 10,-2.0 10,-3.2 -2,-0.3 -16,-0.0 -0.997 23.4-123.8-145.9 143.6 77.1 84.0 129.5 35 56 A G - 0 0 19 -2,-0.3 5,-0.2 8,-0.2 8,-0.2 -0.212 30.0-104.2 -80.2 175.3 75.6 82.9 132.8 36 57 A K - 0 0 46 3,-2.1 6,-0.2 6,-0.3 -1,-0.1 -0.481 14.2-127.3 -95.9 168.8 76.6 84.1 136.3 37 58 A D S S+ 0 0 176 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 0.662 114.7 50.6 -87.1 -18.8 78.6 82.3 138.9 38 59 A S S S+ 0 0 111 1,-0.3 2,-0.4 4,-0.1 -1,-0.1 0.827 130.4 15.9 -82.9 -36.7 75.8 82.9 141.4 39 60 A D > - 0 0 72 3,-0.2 -3,-2.1 1,-0.1 3,-1.1 -0.963 64.4-159.4-141.0 118.0 73.3 81.4 139.0 40 61 A R T 3 S+ 0 0 73 -2,-0.4 -1,-0.1 1,-0.2 -5,-0.1 0.864 94.0 51.4 -65.4 -36.3 74.4 79.4 135.9 41 62 A N T 3 S+ 0 0 62 -6,-0.1 28,-2.6 1,-0.1 2,-0.9 0.192 81.9 101.7 -89.5 17.2 71.1 80.0 134.1 42 63 A Q E < -d 69 0B 36 -3,-1.1 2,-0.3 -6,-0.2 -6,-0.3 -0.844 65.8-150.9-102.4 97.5 71.1 83.8 134.5 43 64 A L E -d 70 0B 7 26,-2.9 28,-2.2 -2,-0.9 2,-0.3 -0.540 14.9-174.1 -79.2 128.9 72.3 85.0 131.1 44 65 A D E -B 34 0A 2 -10,-3.2 -10,-2.0 -2,-0.3 2,-1.1 -0.819 33.8-107.5-114.0 155.5 74.2 88.3 130.8 45 66 A L E -BC 33 59A 0 14,-2.1 14,-2.3 -2,-0.3 13,-2.0 -0.717 44.9-176.5 -88.2 98.5 75.2 90.1 127.6 46 67 A W E -BC 32 57A 51 -14,-2.4 -14,-1.8 -2,-1.1 2,-0.3 -0.387 1.8-165.9 -88.7 171.3 79.0 89.6 127.4 47 68 A S E -BC 31 56A 1 9,-1.6 9,-0.6 -16,-0.2 2,-0.5 -0.991 24.1-142.6-156.2 160.7 81.3 91.1 124.8 48 69 A Y E -BC 30 55A 29 -18,-1.0 -18,-1.5 -2,-0.3 2,-0.5 -0.944 24.1-148.0-127.9 106.3 84.8 91.1 123.2 49 70 A D E > -B 29 0A 41 5,-1.5 4,-2.3 -2,-0.5 5,-0.3 -0.639 4.5-159.5 -78.6 124.0 86.0 94.5 122.3 50 71 A I T 4 S+ 0 0 42 -22,-2.1 -1,-0.2 -2,-0.5 -21,-0.1 0.946 91.9 53.4 -65.7 -46.4 88.2 94.4 119.2 51 72 A G T 4 S+ 0 0 79 -23,-0.7 -1,-0.2 1,-0.2 -22,-0.1 0.902 123.5 24.7 -54.2 -48.3 89.8 97.7 120.1 52 73 A S T 4 S- 0 0 64 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.924 92.0-134.4 -84.4 -51.7 90.8 96.7 123.6 53 74 A G < + 0 0 38 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.578 58.6 135.3 101.6 15.2 91.1 92.9 123.3 54 75 A Q - 0 0 116 -5,-0.3 -5,-1.5 2,-0.0 2,-0.7 -0.621 55.5-141.3 -97.0 155.8 89.2 92.4 126.6 55 76 A T E +C 48 0A 71 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.769 41.1 167.2-115.7 80.6 86.4 90.0 127.3 56 77 A R E -C 47 0A 127 -2,-0.7 -9,-1.6 -9,-0.6 2,-0.3 -0.743 42.8-110.4-101.7 144.5 84.2 92.2 129.5 57 78 A L E -C 46 0A 51 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.552 34.6-173.1 -68.1 130.2 80.6 91.7 130.7 58 79 A L E + 0 0 15 -13,-2.0 2,-0.4 1,-0.3 -12,-0.2 0.911 60.3 18.5 -95.5 -52.9 78.5 94.3 128.8 59 80 A V E -C 45 0A 3 -14,-2.3 -14,-2.1 40,-0.1 2,-0.6 -0.984 66.2-141.5-127.0 133.8 75.0 94.2 130.1 60 81 A D > - 0 0 51 -2,-0.4 3,-2.4 -16,-0.2 4,-0.4 -0.824 10.9-143.0 -94.8 123.5 73.8 92.7 133.4 61 82 A S G >> S+ 0 0 2 -2,-0.6 4,-2.5 1,-0.3 3,-1.2 0.808 100.6 58.7 -52.4 -35.6 70.4 91.0 133.2 62 83 A K G 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.2 -18,-0.0 0.379 98.5 59.9 -79.8 7.6 69.4 92.2 136.7 63 84 A V G <4 S+ 0 0 63 -3,-2.4 -1,-0.2 38,-0.0 41,-0.2 0.442 114.2 35.5-107.2 -7.9 69.8 95.8 135.4 64 85 A V T <4 0 0 14 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.653 360.0 360.0-110.7 -34.2 67.2 95.2 132.8 65 86 A L < 0 0 95 -4,-2.5 -3,-0.2 -5,-0.2 -4,-0.0 0.302 360.0 360.0-124.7 360.0 65.0 92.9 134.9 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 107 A A 0 0 116 0, 0.0 2,-0.6 0, 0.0 -26,-0.0 0.000 360.0 360.0 360.0 50.0 65.1 77.3 133.3 68 108 A M + 0 0 90 -26,-0.1 2,-0.2 4,-0.0 -26,-0.1 -0.567 360.0 166.0 -70.6 115.2 66.9 79.6 131.0 69 109 A T E +d 42 0B 60 -28,-2.6 -26,-2.9 -2,-0.6 2,-0.2 -0.796 27.3 38.5-129.7 172.9 66.5 83.2 132.4 70 110 A G E S+d 43 0B 9 -2,-0.2 2,-1.7 -28,-0.2 -26,-0.2 -0.565 115.5 1.1 87.5-156.8 67.9 86.7 132.1 71 111 A I S S+ 0 0 1 -28,-2.2 3,-0.1 1,-0.2 -2,-0.1 -0.475 71.5 165.0 -67.7 90.4 68.8 88.1 128.7 72 112 A V + 0 0 48 -2,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.581 64.1 11.4 -85.0 -10.9 67.9 85.1 126.7 73 113 A D + 0 0 57 -3,-0.1 2,-0.3 13,-0.0 -1,-0.2 -0.972 63.5 159.6-164.5 151.5 67.9 87.0 123.4 74 114 A Y - 0 0 0 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.905 14.6-157.1-158.8-179.2 69.0 90.3 121.9 75 115 A Q E -E 84 0C 48 9,-0.8 9,-2.4 -2,-0.3 2,-0.2 -0.917 23.4-107.8-170.5 146.0 69.9 92.0 118.6 76 116 A W E -E 83 0C 28 -2,-0.3 43,-0.2 7,-0.2 7,-0.2 -0.524 26.7-120.8 -83.9 146.6 71.9 95.0 117.4 77 117 A S > - 0 0 1 5,-1.9 3,-3.0 -2,-0.2 -1,-0.1 -0.557 35.4-108.4 -77.9 146.6 70.6 98.2 116.0 78 118 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.786 121.8 48.6 -45.7 -31.4 71.8 98.9 112.5 79 119 A D T 3 S- 0 0 70 3,-0.0 -55,-0.0 -54,-0.0 -2,-0.0 0.128 107.6-124.8 -98.9 20.1 74.0 101.7 113.9 80 120 A A S < S+ 0 0 4 -3,-3.0 3,-0.1 1,-0.1 -56,-0.1 0.731 82.6 112.2 43.8 27.6 75.5 99.6 116.6 81 121 A Q S S+ 0 0 98 1,-0.1 15,-1.9 15,-0.1 16,-0.4 0.877 74.7 18.5 -93.4 -47.3 74.3 102.2 119.1 82 122 A R E - F 0 95C 44 13,-0.2 -5,-1.9 14,-0.1 2,-0.4 -0.733 67.4-133.6-120.9 171.5 71.5 100.5 121.0 83 123 A L E -EF 76 94C 0 11,-2.3 11,-3.0 -2,-0.2 2,-0.5 -0.973 12.4-139.4-127.3 141.7 70.4 96.9 121.7 84 124 A L E -EF 75 93C 0 -9,-2.4 -9,-0.8 -2,-0.4 9,-0.2 -0.871 12.2-159.9-103.2 131.5 66.9 95.4 121.6 85 125 A F E - 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0 0 2 -4,-1.8 -1,-0.2 -8,-0.2 -22,-0.2 -0.910 64.6-154.8-109.6 135.6 71.1 43.5 105.3 588 628 A A S S- 0 0 26 -24,-2.5 2,-0.3 -2,-0.4 -23,-0.2 0.801 73.8 -20.1 -75.4 -33.1 70.8 41.2 108.3 589 629 A a E -h 565 0L 0 -25,-0.6 -23,-1.8 46,-0.2 2,-0.3 -0.979 60.1-149.3-167.2 165.8 68.8 43.7 110.4 590 630 A G E -hi 566 637L 0 46,-2.5 48,-2.2 -2,-0.3 2,-0.6 -0.999 10.8-147.6-152.4 147.9 67.9 47.4 110.7 591 631 A V E -hi 567 638L 1 -25,-1.8 -23,-1.8 -2,-0.3 2,-0.6 -0.936 17.8-167.9-116.1 108.8 67.0 50.1 113.2 592 632 A A E -hi 568 639L 0 46,-1.8 48,-2.5 -2,-0.6 2,-0.4 -0.859 5.9-160.1 -99.2 116.3 64.6 52.8 111.9 593 633 A G E -hi 569 640L 1 -25,-2.5 -23,-1.7 -2,-0.6 -20,-0.4 -0.830 67.6 -25.1 -99.4 134.4 64.3 55.9 114.1 594 634 A A S S- 0 0 0 46,-2.6 -1,-0.2 -2,-0.4 -21,-0.2 0.823 89.4-164.1 30.1 62.1 61.3 58.2 113.8 595 635 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 -24,-0.1 -0.415 23.7-134.6 -77.5 144.3 60.8 57.1 110.1 596 636 A V + 0 0 4 -26,-0.7 3,-0.1 1,-0.1 52,-0.0 -0.827 25.0 178.4 -90.2 132.9 58.7 58.9 107.5 597 637 A T + 0 0 3 -2,-0.5 29,-2.3 1,-0.3 30,-0.4 0.610 68.8 27.7-111.7 -16.5 56.7 56.1 105.8 598 638 A D > - 0 0 36 27,-0.2 3,-1.5 28,-0.1 -1,-0.3 -0.881 58.1-163.1-148.0 110.3 54.7 58.1 103.3 599 639 A W G > S+ 0 0 8 -2,-0.3 3,-1.6 1,-0.3 -383,-0.4 0.727 85.8 76.5 -66.3 -20.8 55.9 61.4 101.9 600 640 A G G 3 S+ 0 0 20 1,-0.3 -384,-0.5 21,-0.1 -1,-0.3 0.797 93.4 54.0 -59.9 -25.1 52.4 62.3 100.7 601 641 A L G < S+ 0 0 94 -3,-1.5 -1,-0.3 -386,-0.2 -2,-0.2 0.571 92.6 90.2 -84.7 -11.8 51.7 63.1 104.4 602 642 A Y S < S- 0 0 35 -3,-1.6 -386,-2.1 -4,-0.2 46,-0.1 -0.387 91.7 -72.8 -82.0 166.0 54.6 65.5 104.7 603 643 A D B > -P 215 0G 2 -388,-0.3 4,-2.1 -2,-0.1 5,-0.3 -0.080 40.9-114.6 -62.4 157.8 54.3 69.2 104.0 604 644 A S H > S+ 0 0 0 -390,-3.1 4,-2.4 -389,-0.2 5,-0.5 0.933 104.0 46.9 -54.7 -66.7 53.9 70.8 100.6 605 645 A H H > S+ 0 0 0 -391,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.872 119.1 42.1 -53.3 -40.7 57.0 72.9 99.9 606 646 A Y H > S+ 0 0 19 2,-0.2 4,-0.9 1,-0.1 3,-0.4 0.990 119.8 37.9 -71.2 -60.8 59.4 70.1 101.0 607 647 A T H >X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 3,-0.9 0.919 116.4 49.8 -57.9 -49.4 57.8 67.0 99.5 608 648 A E H 3X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.813 100.8 67.4 -62.6 -26.9 56.7 68.5 96.2 609 649 A R H 3< S+ 0 0 36 -4,-0.8 -1,-0.2 -5,-0.5 -2,-0.2 0.860 117.5 21.9 -61.4 -36.7 60.2 70.0 95.8 610 650 A Y H << S+ 0 0 19 -4,-0.9 -74,-3.2 -3,-0.9 -73,-0.4 0.513 131.7 42.4-108.2 -8.8 61.7 66.5 95.3 611 651 A M H < S- 0 0 0 -4,-1.9 -3,-0.2 -76,-0.2 -2,-0.2 0.408 95.8-132.5-118.5 1.3 58.6 64.6 94.3 612 652 A D < - 0 0 21 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.068 56.8 -35.8 66.8 179.4 56.9 66.9 91.8 613 653 A L > - 0 0 32 1,-0.1 4,-0.6 -4,-0.1 -397,-0.0 -0.411 55.9-123.6 -72.8 148.1 53.1 67.4 92.2 614 654 A P T >4 S+ 0 0 35 0, 0.0 3,-0.6 0, 0.0 7,-0.2 0.869 108.7 52.1 -57.9 -38.9 51.0 64.5 93.4 615 655 A A G >4 S+ 0 0 93 1,-0.2 3,-0.6 2,-0.1 -3,-0.0 0.932 110.9 44.5 -64.9 -48.1 48.7 64.7 90.4 616 656 A R G 34 S+ 0 0 123 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.468 122.8 37.8 -77.8 -1.3 51.4 64.6 87.7 617 657 A N G S+ 0 0 119 -3,-0.6 4,-1.9 1,-0.2 5,-0.2 0.926 78.9 52.2 -58.3 -48.6 50.9 59.2 91.0 619 659 A A H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.825 105.9 57.3 -59.1 -33.3 53.2 56.3 90.2 620 660 A G H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.949 106.1 45.5 -65.1 -50.6 56.1 58.1 91.8 621 661 A Y H X S+ 0 0 14 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.892 109.1 57.4 -61.1 -39.5 54.5 58.5 95.2 622 662 A R H >< S+ 0 0 94 -4,-1.9 3,-0.6 1,-0.2 6,-0.3 0.926 108.7 45.8 -57.6 -46.5 53.3 54.9 95.2 623 663 A E H 3< S+ 0 0 63 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.825 109.8 55.5 -65.8 -31.8 56.9 53.6 94.7 624 664 A A H 3< S+ 0 0 2 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.2 0.687 85.0 101.5 -76.1 -18.5 58.1 56.0 97.4 625 665 A R << - 0 0 84 -4,-1.2 3,-0.5 -3,-0.6 4,-0.4 -0.497 66.9-146.9 -69.5 130.3 55.7 54.5 100.0 626 666 A V S > S+ 0 0 0 -29,-2.3 3,-2.0 -2,-0.3 -1,-0.2 0.931 97.5 59.0 -61.4 -44.6 57.3 52.1 102.4 627 667 A L G > S+ 0 0 62 -30,-0.4 3,-2.0 1,-0.3 4,-0.2 0.795 89.5 73.1 -55.8 -30.2 54.1 50.0 102.6 628 668 A T G 3 S+ 0 0 41 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.734 107.7 33.3 -57.6 -23.7 54.2 49.4 98.9 629 669 A H G X S+ 0 0 28 -3,-2.0 3,-1.2 -4,-0.4 4,-0.4 -0.013 81.1 125.7-122.0 28.3 57.1 47.0 99.4 630 670 A I G X + 0 0 19 -3,-2.0 3,-1.6 1,-0.2 -2,-0.1 0.819 62.7 64.4 -58.4 -37.2 56.1 45.6 102.8 631 671 A E G 3 S+ 0 0 111 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.768 97.5 57.6 -61.2 -25.5 56.1 41.9 101.8 632 672 A G G < S+ 0 0 18 -3,-1.2 2,-1.7 1,-0.1 -48,-0.4 0.612 77.0 101.8 -81.7 -10.7 59.9 42.1 101.1 633 673 A L < + 0 0 4 -3,-1.6 -52,-0.2 -4,-0.4 -1,-0.1 -0.559 37.1 138.0 -77.4 89.4 60.7 43.3 104.6 634 674 A R + 0 0 147 -2,-1.7 -1,-0.2 -54,-0.6 3,-0.1 0.649 38.0 93.0-106.8 -21.3 61.9 40.0 106.1 635 675 A S S S- 0 0 17 -55,-0.4 -46,-0.2 -3,-0.3 2,-0.1 -0.371 91.8 -78.6 -77.1 155.1 65.0 41.0 108.2 636 676 A P - 0 0 69 0, 0.0 -46,-2.5 0, 0.0 2,-0.4 -0.290 53.1-166.5 -54.1 120.2 64.9 41.8 111.9 637 677 A L E -i 590 0L 3 29,-0.2 31,-2.7 -48,-0.2 2,-0.5 -0.899 16.0-164.8-116.0 141.1 63.6 45.4 112.4 638 678 A L E -ij 591 668L 2 -48,-2.2 -46,-1.8 -2,-0.4 2,-0.5 -0.990 14.2-160.1-122.5 116.7 63.7 47.6 115.5 639 679 A L E -ij 592 669L 1 29,-2.8 31,-1.1 -2,-0.5 2,-0.4 -0.880 9.9-177.1-104.9 125.8 61.4 50.5 115.2 640 680 A I E +ij 593 670L 0 -48,-2.5 -46,-2.6 -2,-0.5 2,-0.3 -0.939 9.6 157.3-121.9 144.6 61.9 53.6 117.5 641 681 A H E - j 0 671L 0 29,-1.4 31,-2.1 -2,-0.4 2,-0.5 -0.965 39.9-120.9-165.8 144.9 59.8 56.7 117.8 642 682 A G E > - j 0 672L 0 -2,-0.3 3,-1.3 34,-0.2 34,-0.1 -0.775 22.9-145.4 -87.8 130.0 58.9 59.6 120.0 643 683 A M T 3 S+ 0 0 33 29,-2.8 -442,-2.1 -2,-0.5 33,-0.1 0.466 98.3 45.9 -77.6 0.1 55.2 59.6 120.8 644 684 A A T 3 S+ 0 0 1 31,-2.4 -1,-0.3 28,-0.3 33,-0.2 0.122 79.3 148.7-122.7 15.3 55.0 63.4 120.9 645 685 A D < - 0 0 4 -3,-1.3 5,-0.5 31,-0.4 31,-0.1 -0.334 25.4-175.2 -56.2 117.5 57.0 63.9 117.7 646 686 A D S S+ 0 0 77 -2,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.080 77.2 49.8-105.4 23.5 55.8 67.1 115.9 647 687 A N S S+ 0 0 61 1,-0.3 2,-0.8 -45,-0.0 -1,-0.1 0.632 121.3 23.1-119.2 -65.8 58.0 66.7 112.9 648 688 A V S S- 0 0 1 -46,-0.1 -1,-0.3 -52,-0.0 -3,-0.1 -0.902 98.3-127.0-107.1 99.2 57.5 63.2 111.7 649 689 A L > - 0 0 36 -2,-0.8 3,-2.2 -3,-0.2 4,-0.4 -0.076 9.7-122.5 -48.6 141.8 54.1 62.3 113.1 650 690 A F T >> S+ 0 0 36 -5,-0.5 4,-2.0 1,-0.3 3,-1.0 0.721 105.6 79.8 -59.2 -20.7 53.9 59.1 115.2 651 691 A T H 3> S+ 0 0 78 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.740 79.7 68.6 -61.3 -20.5 51.2 58.0 112.7 652 692 A N H <> S+ 0 0 11 -3,-2.2 4,-1.3 2,-0.2 -1,-0.3 0.938 106.9 37.6 -62.8 -43.8 54.1 57.0 110.4 653 693 A S H <> S+ 0 0 0 -3,-1.0 4,-4.0 -4,-0.4 -2,-0.2 0.922 114.5 51.1 -75.5 -45.2 55.0 54.3 112.8 654 694 A T H X S+ 0 0 54 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.886 108.8 54.7 -61.1 -35.9 51.6 53.1 113.9 655 695 A S H X S+ 0 0 51 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.923 115.0 39.1 -60.4 -43.7 50.7 52.9 110.2 656 696 A L H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.900 113.3 55.0 -72.4 -44.1 53.7 50.6 109.7 657 697 A M H X S+ 0 0 32 -4,-4.0 4,-2.6 1,-0.2 5,-0.2 0.956 110.5 46.4 -51.9 -54.2 53.2 48.7 113.0 658 698 A S H X S+ 0 0 57 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.899 111.5 52.6 -55.3 -46.1 49.6 47.9 111.9 659 699 A A H X S+ 0 0 25 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.936 112.1 43.1 -57.9 -52.8 50.8 46.9 108.5 660 700 A L H ><>S+ 0 0 2 -4,-2.8 5,-2.1 1,-0.2 3,-0.9 0.906 113.3 52.0 -62.5 -42.9 53.4 44.4 109.7 661 701 A Q H ><5S+ 0 0 113 -4,-2.6 3,-1.8 -5,-0.3 -1,-0.2 0.865 100.8 61.7 -64.4 -34.8 51.2 43.0 112.4 662 702 A K H 3<5S+ 0 0 176 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.740 108.9 42.6 -65.5 -21.2 48.3 42.3 110.0 663 703 A R T <<5S- 0 0 123 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.055 115.7-114.2-110.8 26.1 50.6 39.9 108.1 664 704 A G T < 5 + 0 0 62 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.654 60.3 156.4 53.8 21.4 52.0 38.3 111.2 665 705 A Q < - 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0 0 6 -3,-1.4 -31,-2.4 -474,-0.2 -1,-0.2 -0.495 41.1-153.5 -78.1 149.5 59.5 62.5 123.5 676 716 A K - 0 0 74 2,-0.5 -31,-0.4 -2,-0.2 -34,-0.2 0.099 45.9 -59.9-100.8-145.9 59.8 64.7 120.4 677 717 A H S S+ 0 0 35 -33,-0.2 2,-0.5 1,-0.1 -107,-0.1 0.821 125.2 41.3 -74.9 -29.0 61.8 64.3 117.1 678 718 A G S S- 0 0 57 2,-0.0 -2,-0.5 0, 0.0 2,-0.2 -0.974 81.4-143.0-118.7 130.6 65.2 64.2 118.9 679 719 A L + 0 0 33 -2,-0.5 2,-0.3 -4,-0.1 -2,-0.0 -0.512 22.9 178.8 -86.4 161.5 65.6 62.3 122.2 680 720 A S >> - 0 0 89 -2,-0.2 3,-1.0 -180,-0.0 4,-0.5 -0.985 42.3 -0.1-157.3 161.1 67.8 63.7 124.9 681 721 A G H 3> S- 0 0 40 -2,-0.3 4,-2.3 -673,-0.3 5,-0.2 -0.333 128.4 -2.3 60.5-132.6 69.0 62.9 128.4 682 722 A A H 3> S+ 0 0 77 1,-0.2 4,-3.4 2,-0.2 -1,-0.3 0.911 134.7 55.6 -57.1 -48.7 67.6 59.6 129.8 683 723 A D H <> S+ 0 0 59 -3,-1.0 4,-2.9 1,-0.2 -1,-0.2 0.902 110.3 47.5 -52.0 -43.9 65.4 58.9 126.7 684 724 A A H X S+ 0 0 8 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.949 112.4 47.5 -62.9 -50.9 68.6 59.2 124.6 685 725 A L H X S+ 0 0 33 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.870 114.8 48.4 -58.1 -38.7 70.6 56.9 127.0 686 726 A H H X S+ 0 0 83 -4,-3.4 4,-3.0 -5,-0.2 -2,-0.2 0.927 111.0 48.9 -69.3 -44.9 67.7 54.5 126.9 687 727 A R H X S+ 0 0 8 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.910 114.4 44.5 -62.9 -43.7 67.3 54.5 123.1 688 728 A Y H X S+ 0 0 14 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.907 113.5 52.7 -67.2 -37.2 71.0 53.9 122.5 689 729 A R H X S+ 0 0 122 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.938 112.8 43.3 -62.3 -46.3 71.0 51.3 125.2 690 730 A V H X S+ 0 0 36 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.928 114.1 50.1 -64.9 -46.6 68.1 49.5 123.6 691 731 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.916 106.9 55.8 -58.7 -45.6 69.5 49.8 120.1 692 732 A E H X S+ 0 0 50 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.928 107.2 48.5 -53.3 -49.9 72.9 48.5 121.2 693 733 A A H X S+ 0 0 57 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.898 111.9 51.0 -59.0 -41.1 71.3 45.3 122.6 694 734 A F H X S+ 0 0 7 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.977 111.9 43.4 -61.8 -57.6 69.4 44.8 119.3 695 735 A L H X>S+ 0 0 2 -4,-2.7 4,-3.4 1,-0.2 5,-0.7 0.856 111.8 58.8 -57.1 -34.2 72.4 45.2 117.0 696 736 A G H X5S+ 0 0 20 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.973 105.4 45.7 -59.3 -55.2 74.3 43.0 119.4 697 737 A R H <5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 121.3 40.9 -58.4 -30.5 71.9 40.1 119.1 698 738 A a H <5S+ 0 0 27 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.825 129.7 21.6 -89.0 -34.9 71.9 40.5 115.3 699 739 A L H <5S- 0 0 0 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.690 85.1-147.1-106.7 -24.5 75.5 41.2 114.5 700 740 A K << 0 0 127 -4,-2.4 -4,-0.1 -5,-0.7 -3,-0.1 0.978 360.0 360.0 53.2 81.1 77.3 39.7 117.5 701 741 A P 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 -0.095 360.0 360.0 -70.9 360.0 80.3 42.1 117.8