==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-AUG-12 4B4X . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA SP R39; . AUTHOR S.E.CANNELLA,E.SAUVAGE,R.HERMAN,F.KERFF,M.ROCABOY,P.CHARLIER . 1862 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1321 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 287 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 161 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 217 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 427 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.5 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 4 1 0 3 0 1 5 3 6 7 7 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 8 7 7 0 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 PARALLEL BRIDGES PER LADDER . 20 2 10 5 2 6 5 7 0 1 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 11 4 4 4 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 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 R 0 0 162 0, 0.0 2,-1.0 0, 0.0 458,-0.0 0.000 360.0 360.0 360.0 159.5 -15.9 -34.6 41.3 2 2 A L > + 0 0 51 1,-0.2 4,-0.7 457,-0.0 457,-0.0 -0.290 360.0 58.0 87.5 -47.8 -13.5 -33.0 38.8 3 3 A T H > S+ 0 0 72 -2,-1.0 4,-1.9 2,-0.2 3,-0.2 0.798 97.3 61.9 -76.8 -32.7 -16.2 -32.9 36.0 4 4 A E H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 99.0 56.7 -57.0 -44.1 -18.4 -30.8 38.4 5 5 A L H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.851 104.3 53.6 -56.1 -39.8 -15.6 -28.1 38.3 6 6 A R H X S+ 0 0 94 -4,-0.7 4,-3.3 2,-0.2 3,-0.3 0.988 109.5 44.8 -58.9 -62.7 -15.9 -28.0 34.5 7 7 A E H X S+ 0 0 100 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.890 112.8 54.1 -48.1 -45.4 -19.7 -27.3 34.4 8 8 A D H X S+ 0 0 64 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.912 115.4 37.0 -58.6 -47.2 -19.3 -24.8 37.2 9 9 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 -3,-0.3 -2,-0.2 0.859 113.8 56.3 -76.3 -38.6 -16.6 -22.8 35.3 10 10 A D H < S+ 0 0 53 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 110.9 46.0 -51.5 -47.9 -18.2 -23.3 31.9 11 11 A A H >< S+ 0 0 64 -4,-2.6 3,-0.7 -5,-0.3 -1,-0.2 0.814 107.1 56.3 -69.1 -34.2 -21.4 -21.8 33.3 12 12 A I H >< S+ 0 0 40 -4,-1.2 3,-1.1 1,-0.3 2,-1.0 0.886 100.8 61.7 -66.6 -35.2 -19.6 -18.9 34.9 13 13 A L T 3< S+ 0 0 5 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 -0.251 85.8 75.5 -87.3 47.3 -18.2 -18.1 31.5 14 14 A E T < + 0 0 141 -2,-1.0 -1,-0.2 -3,-0.7 -2,-0.1 0.414 63.8 134.9-124.8 -12.5 -21.6 -17.4 30.0 15 15 A D X - 0 0 63 -3,-1.1 3,-1.8 -4,-0.2 -3,-0.0 0.063 68.3-117.5 -38.4 142.6 -22.1 -13.9 31.6 16 16 A P G > S+ 0 0 90 0, 0.0 3,-1.1 0, 0.0 426,-0.2 0.653 112.5 72.4 -54.7 -21.7 -23.5 -11.1 29.4 17 17 A A G 3 S+ 0 0 12 1,-0.2 424,-0.5 424,-0.1 425,-0.2 0.737 86.1 65.8 -64.9 -23.2 -20.2 -9.3 30.1 18 18 A L G X + 0 0 53 -3,-1.8 3,-0.8 422,-0.1 2,-0.8 0.063 66.5 135.6 -91.4 21.4 -18.5 -11.9 27.7 19 19 A E T < S- 0 0 124 -3,-1.1 422,-0.5 1,-0.2 423,-0.1 -0.661 89.2 -13.1 -67.1 108.1 -20.4 -10.6 24.7 20 20 A G T 3 S+ 0 0 80 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.689 106.5 128.5 72.1 23.0 -17.6 -10.5 22.1 21 21 A A < - 0 0 18 -3,-0.8 2,-0.4 419,-0.0 -1,-0.2 -0.829 54.1-134.8-106.0 147.3 -14.7 -10.9 24.5 22 22 A V E -A 438 0A 56 416,-1.5 416,-2.6 -2,-0.3 2,-0.5 -0.864 24.2-167.6 -96.6 135.6 -11.9 -13.4 24.3 23 23 A S E -A 437 0A 15 -2,-0.4 2,-0.6 414,-0.2 414,-0.2 -0.957 13.1-159.0-133.2 117.4 -11.1 -15.2 27.5 24 24 A G E +A 436 0A 0 412,-2.9 412,-3.0 -2,-0.5 2,-0.4 -0.842 18.1 176.9 -92.7 122.3 -8.1 -17.3 28.3 25 25 A V E +AB 435 39A 0 14,-2.7 14,-2.0 -2,-0.6 2,-0.4 -0.935 4.8 166.4-133.8 109.6 -8.7 -19.6 31.3 26 26 A V E +AB 434 38A 0 408,-2.6 408,-2.7 -2,-0.4 2,-0.4 -0.980 7.0 179.6-129.6 124.4 -6.2 -22.2 32.5 27 27 A V E +AB 433 37A 0 10,-3.5 9,-1.6 -2,-0.4 10,-1.6 -0.984 6.4 177.2-123.8 126.0 -6.2 -24.1 35.8 28 28 A V E -AB 432 35A 30 404,-3.4 404,-2.4 -2,-0.4 2,-0.9 -0.994 30.3-131.6-133.9 136.0 -3.6 -26.6 36.8 29 29 A D E >> -AB 431 34A 18 5,-2.1 4,-2.8 -2,-0.4 5,-0.8 -0.755 19.2-156.4 -80.0 103.6 -3.0 -28.7 40.0 30 30 A T T 45S+ 0 0 66 400,-1.7 -1,-0.2 -2,-0.9 401,-0.1 0.912 88.2 51.3 -45.3 -58.9 0.7 -28.1 40.8 31 31 A A T 45S+ 0 0 84 399,-0.2 -1,-0.2 1,-0.2 398,-0.1 0.917 122.6 27.5 -46.3 -62.0 1.1 -31.4 42.8 32 32 A T T 45S- 0 0 94 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.692 95.7-131.4 -77.6 -19.5 -0.4 -33.7 40.1 33 33 A G T <5 + 0 0 57 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.657 53.9 158.4 69.9 16.6 0.5 -31.6 37.1 34 34 A E E < -B 29 0A 82 -5,-0.8 -5,-2.1 1,-0.1 2,-1.1 -0.558 48.1-129.9 -79.1 133.6 -3.1 -32.2 36.0 35 35 A E E +B 28 0A 104 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.2 -0.737 31.4 176.7 -80.6 99.0 -4.8 -29.9 33.5 36 36 A L E - 0 0 4 -9,-1.6 2,-0.3 -2,-1.1 -1,-0.2 0.972 66.6 -3.7 -69.4 -55.3 -7.9 -29.2 35.5 37 37 A Y E +B 27 0A 12 -10,-1.6 -10,-3.5 -3,-0.2 -1,-0.3 -0.999 64.1 175.9-144.1 134.2 -9.4 -26.7 33.1 38 38 A S E +B 26 0A 47 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.953 6.9 162.2-143.8 127.6 -8.1 -25.2 29.8 39 39 A R E S-B 25 0A 104 -14,-2.0 -14,-2.7 -2,-0.3 318,-0.1 -0.961 79.5 -14.5-143.7 120.6 -9.8 -22.8 27.4 40 40 A D S S+ 0 0 81 -2,-0.4 317,-0.5 -16,-0.2 318,-0.1 0.927 79.2 159.6 49.7 50.4 -7.9 -20.8 24.9 41 41 A G S S+ 0 0 5 1,-0.2 317,-3.1 316,-0.1 316,-0.5 0.808 73.0 40.1 -68.4 -32.6 -4.7 -21.5 26.7 42 42 A G S S+ 0 0 52 314,-0.2 -1,-0.2 315,-0.2 -2,-0.1 0.513 87.3 118.4 -96.9 -9.8 -2.6 -20.7 23.7 43 43 A E - 0 0 94 1,-0.1 2,-0.6 -20,-0.1 314,-0.4 -0.275 67.8-120.4 -59.7 142.3 -4.6 -17.7 22.5 44 44 A Q + 0 0 106 312,-0.1 2,-0.3 310,-0.1 312,-0.2 -0.799 42.2 164.5-100.4 118.9 -2.6 -14.5 22.5 45 45 A L B -F 355 0B 4 310,-3.7 310,-3.4 -2,-0.6 372,-0.0 -0.925 44.6-100.9-133.7 150.6 -3.9 -11.7 24.7 46 46 A L - 0 0 27 -2,-0.3 372,-0.2 308,-0.2 308,-0.1 -0.612 31.7-160.9 -69.2 127.1 -2.8 -8.4 26.3 47 47 A P > - 0 0 1 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.678 9.6-166.8 -83.1 -20.8 -2.0 -9.2 30.0 48 48 A A G > S- 0 0 1 1,-0.2 3,-2.0 302,-0.2 4,-0.2 -0.422 76.3 -3.0 49.6-131.1 -2.2 -5.7 31.4 49 49 A S G > S+ 0 0 13 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.463 117.0 84.0 -73.8 4.7 -0.6 -5.8 34.9 50 50 A N G X> S+ 0 0 0 -3,-1.4 3,-0.7 1,-0.2 4,-0.7 0.571 74.6 75.5 -74.4 -8.5 -0.0 -9.5 34.7 51 51 A M H <> S+ 0 0 0 -3,-2.0 4,-2.2 296,-0.3 -1,-0.2 0.689 81.5 71.2 -68.6 -19.2 3.2 -8.5 32.8 52 52 A K H <> S+ 0 0 0 -3,-1.1 4,-2.1 295,-0.4 -1,-0.2 0.809 86.6 63.0 -68.3 -29.1 4.4 -7.6 36.3 53 53 A L H <> S+ 0 0 0 -3,-0.7 4,-2.6 -4,-0.2 5,-0.3 0.974 107.6 42.0 -54.9 -56.6 4.6 -11.4 37.1 54 54 A F H X S+ 0 0 0 -4,-0.7 4,-2.9 1,-0.2 5,-0.2 0.929 114.6 48.8 -57.1 -53.6 7.2 -11.8 34.4 55 55 A T H X S+ 0 0 3 -4,-2.2 4,-1.5 291,-0.4 -1,-0.2 0.811 114.8 47.9 -53.2 -37.1 9.2 -8.6 35.3 56 56 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.892 111.8 46.0 -77.2 -43.6 9.1 -9.6 39.0 57 57 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.889 116.8 48.0 -66.0 -36.2 10.2 -13.3 38.4 58 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 5,-0.4 0.828 105.7 55.6 -71.5 -33.1 12.9 -11.9 36.1 59 59 A A H X>S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 5,-0.7 0.845 110.2 49.8 -68.1 -30.2 14.1 -9.2 38.5 60 60 A L H X5S+ 0 0 1 -4,-1.4 4,-3.2 3,-0.2 -2,-0.2 0.996 113.2 42.3 -69.9 -71.1 14.6 -12.0 41.0 61 61 A E H <5S+ 0 0 79 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.876 126.5 33.1 -28.5 -69.3 16.7 -14.3 38.7 62 62 A V H <5S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.862 132.0 28.5 -67.8 -44.5 18.8 -11.4 37.2 63 63 A L H <5S- 0 0 13 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.759 101.7-126.3 -95.3 -26.7 19.1 -9.1 40.3 64 64 A G ><< - 0 0 19 -4,-3.2 3,-2.3 -5,-0.7 223,-0.3 0.386 23.6 -92.9 88.9 136.8 18.8 -11.4 43.3 65 65 A A T 3 S+ 0 0 31 1,-0.3 223,-2.6 222,-0.1 224,-0.3 0.751 126.3 50.4 -42.4 -31.0 16.4 -11.3 46.3 66 66 A D T 3 S+ 0 0 109 221,-0.2 -1,-0.3 220,-0.2 2,-0.2 0.216 77.7 131.0-103.8 10.4 19.1 -9.4 48.2 67 67 A H < - 0 0 56 -3,-2.3 220,-2.3 219,-0.1 2,-0.4 -0.470 34.2-172.5 -71.3 128.0 19.8 -6.7 45.6 68 68 A S - 0 0 48 -2,-0.2 2,-0.3 218,-0.2 218,-0.1 -0.954 16.6-132.0-123.8 149.2 19.9 -3.2 47.0 69 69 A F - 0 0 8 216,-0.4 215,-2.6 -2,-0.4 2,-0.4 -0.742 19.7-151.4 -98.0 140.2 20.1 0.2 45.1 70 70 A G - 0 0 26 23,-0.5 2,-0.4 -2,-0.3 23,-0.3 -0.937 7.2-156.5-119.5 136.9 22.5 3.0 46.2 71 71 A T - 0 0 2 -2,-0.4 211,-1.5 211,-0.2 2,-0.4 -0.856 17.1-169.4-100.3 139.4 22.4 6.8 45.9 72 72 A E E -GH 91 281C 46 19,-3.7 19,-3.9 -2,-0.4 2,-0.5 -0.979 15.5-155.3-132.5 142.6 25.7 8.8 45.9 73 73 A V E -GH 90 280C 0 207,-2.6 206,-2.3 -2,-0.4 207,-1.1 -0.975 24.7-173.1-113.3 124.8 26.6 12.5 46.2 74 74 A A E +GH 89 278C 5 15,-3.0 15,-3.8 -2,-0.5 2,-0.3 -0.844 20.1 179.9-122.4 152.3 29.9 13.6 44.7 75 75 A A E - 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0 0 23 -3,-0.5 2,-0.6 1,-0.2 -3,-0.2 0.979 36.2-159.5 53.0 63.9 0.8 -2.8 41.0 299 299 A N >< - 0 0 10 -5,-3.0 4,-1.3 -6,-0.2 -1,-0.2 -0.647 15.2-173.5 -75.8 117.4 3.6 -0.2 40.8 300 300 A N H > S+ 0 0 14 -2,-0.6 4,-1.8 2,-0.2 3,-0.4 0.966 84.1 55.4 -68.9 -56.4 4.4 0.6 37.1 301 301 A G H > S+ 0 0 4 -155,-0.3 4,-2.3 1,-0.3 5,-0.2 0.851 107.4 51.6 -44.8 -43.5 7.3 2.9 37.9 302 302 A H H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.931 106.9 54.3 -60.9 -44.2 8.9 0.1 39.9 303 303 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.4 -2,-0.2 0.889 112.8 39.4 -57.3 -48.4 8.4 -2.4 37.0 304 304 A E H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.4 0.915 114.0 54.2 -71.6 -47.1 10.2 -0.3 34.3 305 305 A M H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.913 110.1 48.3 -51.8 -45.1 12.9 0.8 36.8 306 306 A L H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.888 110.5 52.0 -62.6 -42.5 13.6 -2.9 37.5 307 307 A V H >X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 3,-1.3 0.990 111.5 43.8 -55.3 -67.1 13.7 -3.7 33.8 308 308 A K H 3< S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.3 11,-0.3 0.797 113.4 53.6 -47.2 -36.9 16.3 -1.0 33.0 309 309 A S H >X S+ 0 0 5 -4,-2.0 4,-1.5 -5,-0.4 3,-0.7 0.839 105.5 52.9 -62.2 -36.6 18.1 -2.1 36.1 310 310 A I H - 0 0 37 -2,-2.4 4,-2.1 -11,-0.3 5,-0.2 -0.982 69.1-134.8-145.2 145.0 17.5 0.7 28.5 320 320 A W H > S+ 0 0 10 -2,-0.3 4,-3.2 2,-0.2 5,-0.4 0.970 109.6 53.5 -65.3 -50.8 14.2 -1.0 27.8 321 321 A D H > S+ 0 0 129 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.858 113.5 46.0 -49.7 -40.1 15.6 -2.8 24.7 322 322 A A H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.882 117.4 39.3 -72.2 -46.0 18.4 -4.1 26.9 323 323 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.831 108.6 59.5 -78.2 -34.9 16.4 -5.2 29.9 324 324 A L H X S+ 0 0 20 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.893 108.0 46.2 -64.3 -40.9 13.4 -6.7 28.0 325 325 A V H X S+ 0 0 92 -4,-1.1 4,-3.4 -5,-0.4 -1,-0.2 0.956 112.7 50.6 -62.3 -51.0 15.7 -9.2 26.3 326 326 A G H X S+ 0 0 5 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.846 109.9 50.9 -52.9 -40.5 17.3 -9.9 29.6 327 327 A V H X S+ 0 0 5 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.951 111.8 45.9 -62.2 -49.9 13.9 -10.5 31.1 328 328 A E H X S+ 0 0 70 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.900 112.5 53.3 -58.3 -47.7 12.9 -12.9 28.3 329 329 A E H X S+ 0 0 136 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.930 107.4 49.5 -47.1 -57.9 16.3 -14.6 28.7 330 330 A A H < S+ 0 0 16 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.857 110.3 49.4 -56.8 -41.2 15.9 -15.2 32.5 331 331 A L H <>S+ 0 0 1 -4,-1.8 5,-2.6 2,-0.2 3,-0.4 0.879 109.3 52.6 -68.2 -41.3 12.4 -16.7 32.1 332 332 A S H ><5S+ 0 0 47 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.970 110.8 47.5 -51.6 -54.4 13.7 -19.0 29.4 333 333 A G T 3<5S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.622 104.0 63.5 -62.5 -14.0 16.4 -20.0 31.9 334 334 A L T 3 5S- 0 0 25 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.498 128.3 -95.5 -86.8 -4.4 13.6 -20.4 34.5 335 335 A G T < 5S+ 0 0 40 -3,-2.0 2,-0.4 -4,-0.3 -3,-0.2 0.590 79.1 145.2 97.5 18.3 12.1 -23.2 32.4 336 336 A V < - 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0 0 0 -3,-0.9 2,-0.3 -10,-0.1 -10,-0.2 -0.594 46.8-178.8 -90.1 152.1 2.3 -6.7 25.3 354 354 A L B +W 342 0K 50 -12,-1.6 -12,-1.2 -2,-0.2 2,-0.3 -0.972 5.8 165.1-147.4 139.6 1.0 -10.2 24.6 355 355 A V B -F 45 0B 0 -310,-3.4 -310,-3.7 -2,-0.3 2,-0.3 -0.922 24.1-140.5-137.3 164.8 0.6 -13.3 26.8 356 356 A T > - 0 0 8 -2,-0.3 4,-0.9 -312,-0.2 -314,-0.2 -0.843 25.1-123.5-116.2 164.9 -1.2 -16.6 26.6 357 357 A A H >> S+ 0 0 0 -316,-0.5 4,-2.4 -317,-0.5 3,-0.8 0.913 112.0 57.9 -76.8 -39.4 -2.7 -18.2 29.7 358 358 A D H 3> S+ 0 0 64 -317,-3.1 4,-2.8 1,-0.3 -1,-0.2 0.879 105.0 54.6 -53.5 -36.5 -0.7 -21.4 29.3 359 359 A T H 3> S+ 0 0 10 -318,-0.5 4,-2.7 2,-0.2 -1,-0.3 0.817 107.5 48.1 -64.1 -35.0 2.4 -19.2 29.5 360 360 A V H X S+ 0 0 64 -4,-2.0 3,-1.3 1,-0.2 4,-0.6 0.941 113.4 48.6 -51.4 -57.6 8.3 -22.7 37.5 367 367 A A H >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.764 103.7 65.2 -58.9 -23.7 8.5 -19.6 39.8 368 368 A G H 3< S+ 0 0 31 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.810 104.9 41.8 -72.2 -33.2 6.9 -21.8 42.6 369 369 A S H << S+ 0 0 102 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.427 92.3 116.3 -91.1 -3.3 9.9 -24.1 42.7 370 370 A A S X< S- 0 0 10 -4,-0.6 3,-2.4 -3,-0.6 4,-0.2 -0.264 80.0-116.2 -66.6 150.3 12.5 -21.3 42.5 371 371 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.560 120.8 49.7 -66.8 -4.6 14.8 -20.6 45.4 372 372 A W T >> S+ 0 0 24 -5,-0.2 4,-1.7 1,-0.1 3,-0.7 0.257 77.1 119.2-111.3 10.2 13.0 -17.2 45.7 373 373 A A H <> + 0 0 7 -3,-2.4 4,-3.3 1,-0.2 5,-0.2 0.820 68.8 50.9 -41.5 -54.7 9.5 -18.7 45.6 374 374 A Q H 3> S+ 0 0 142 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.829 109.5 46.1 -67.0 -36.5 8.2 -17.5 49.0 375 375 A T H <> S+ 0 0 54 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.865 116.2 48.4 -73.4 -34.2 9.1 -13.7 48.7 376 376 A W H X S+ 0 0 1 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.962 113.7 46.6 -58.8 -55.1 7.6 -13.7 45.2 377 377 A S H >< S+ 0 0 11 -4,-3.3 3,-0.7 1,-0.2 -2,-0.2 0.903 114.1 49.1 -54.0 -46.2 4.5 -15.6 46.6 378 378 A A H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 102.5 59.9 -62.0 -40.5 4.3 -13.1 49.5 379 379 A S H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.743 88.2 97.5 -63.7 -25.0 4.6 -10.0 47.3 380 380 A L S << S- 0 0 0 -4,-1.0 -84,-0.2 -3,-0.7 30,-0.2 -0.243 87.8 -97.8 -65.9 146.0 1.4 -11.0 45.5 381 381 A P - 0 0 0 0, 0.0 28,-1.5 0, 0.0 2,-0.4 -0.465 35.7-141.8 -66.4 140.1 -1.9 -9.5 46.5 382 382 A V B > -C 408 0A 22 8,-1.9 3,-1.0 26,-0.2 26,-0.2 -0.897 22.9-103.8-110.8 134.0 -4.1 -11.6 48.8 383 383 A A T 3 S- 0 0 0 24,-1.8 22,-2.7 -2,-0.4 12,-0.2 -0.220 88.5 -7.8 -63.0 135.6 -7.9 -11.9 48.5 384 384 A G T 3 S+ 0 0 3 10,-2.0 2,-0.6 13,-1.6 -1,-0.2 0.564 84.4 145.6 64.1 18.9 -10.2 -10.0 50.9 385 385 A E < - 0 0 62 -3,-1.0 6,-0.3 9,-0.3 5,-0.2 -0.795 43.0-149.9 -98.3 117.7 -7.6 -8.7 53.4 386 386 A S S S+ 0 0 88 -2,-0.6 -1,-0.1 5,-0.1 9,-0.1 0.844 74.4 91.5 -52.7 -43.4 -8.3 -5.3 54.9 387 387 A D S >> S- 0 0 80 1,-0.2 4,-4.9 2,-0.1 3,-1.9 -0.383 71.6-147.2 -58.7 116.8 -4.6 -4.4 55.3 388 388 A P H 3> S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.895 97.9 56.8 -51.6 -43.3 -3.5 -2.6 52.1 389 389 A F H 34 S+ 0 0 57 1,-0.2 -2,-0.1 2,-0.2 -93,-0.1 0.305 121.8 26.8 -77.1 11.7 -0.0 -4.1 52.4 390 390 A V H <4 S+ 0 0 52 -3,-1.9 -8,-1.9 -5,-0.2 -1,-0.2 0.440 125.8 45.6-134.2 -44.3 -1.5 -7.6 52.4 391 391 A G H >< S+ 0 0 0 -4,-4.9 3,-1.9 -6,-0.3 -2,-0.2 0.940 78.6 165.2 -65.3 -44.6 -4.7 -7.0 50.5 392 392 A G G >< S- 0 0 9 -4,-2.6 3,-1.3 -5,-0.4 -95,-0.2 -0.403 75.2 -15.3 55.9-133.2 -3.1 -5.0 47.7 393 393 A T G 3 S+ 0 0 56 -97,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.561 141.7 59.5 -75.9 -7.3 -5.4 -4.6 44.8 394 394 A L G X S+ 0 0 0 -3,-1.9 -10,-2.0 -98,-0.2 3,-1.2 0.176 72.5 105.8-102.6 18.0 -7.5 -7.5 46.2 395 395 A A T < S+ 0 0 11 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.943 88.3 33.2 -61.4 -51.8 -8.3 -5.8 49.5 396 396 A N T 3 S+ 0 0 140 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.3 -0.099 107.3 94.8 -96.4 34.7 -12.0 -5.0 48.6 397 397 A R S < S+ 0 0 35 -3,-1.2 -13,-1.6 1,-0.1 -12,-0.1 -0.988 87.8 0.2-135.9 135.0 -12.4 -8.2 46.6 398 398 A M S > S+ 0 0 13 -2,-0.4 3,-1.2 1,-0.2 5,-0.3 0.691 79.2 173.1 62.9 23.8 -13.7 -11.6 47.5 399 399 A R T 3 + 0 0 132 1,-0.2 -1,-0.2 4,-0.1 3,-0.1 -0.371 64.8 14.7 -64.3 137.5 -14.5 -10.6 51.2 400 400 A G T 3 S+ 0 0 40 1,-0.3 2,-0.2 -16,-0.2 -1,-0.2 0.704 106.5 117.7 70.4 22.6 -16.3 -13.2 53.3 401 401 A T S X S- 0 0 35 -3,-1.2 3,-3.1 63,-0.1 -1,-0.3 -0.768 84.9-100.0-119.5 162.4 -15.6 -15.9 50.6 402 402 A A T 3 S+ 0 0 2 1,-0.3 61,-0.1 -2,-0.2 60,-0.1 0.592 122.7 59.9 -54.2 -5.0 -13.7 -19.3 50.4 403 403 A A T >> S+ 0 0 0 -5,-0.3 3,-1.2 3,-0.1 4,-1.1 0.367 75.8 122.8-105.9 2.8 -11.0 -17.2 48.8 404 404 A E T <4 S- 0 0 65 -3,-3.1 -20,-0.2 1,-0.3 -6,-0.1 -0.524 92.0 -9.7 -78.5 131.8 -10.4 -14.9 51.7 405 405 A G T 34 S+ 0 0 38 -22,-2.7 -1,-0.3 -2,-0.3 -21,-0.1 0.594 131.1 78.0 53.9 14.5 -6.9 -14.8 53.1 406 406 A V T <4 + 0 0 17 -3,-1.2 2,-0.2 -23,-0.1 -2,-0.2 0.796 67.1 72.3-110.2 -67.3 -6.4 -17.8 50.7 407 407 A V < - 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0 0 29 -4,-0.8 2,-0.8 1,-0.2 -3,-0.2 0.981 34.0-163.3 48.9 88.1 63.0 25.6 37.5 766 299 B N >< - 0 0 13 -5,-1.3 4,-2.0 1,-0.2 -1,-0.2 -0.873 11.0-171.4-101.1 108.8 62.6 23.1 40.3 767 300 B N H > S+ 0 0 15 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.930 87.2 55.1 -62.0 -46.3 60.0 20.5 39.2 768 301 B G H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 106.5 50.9 -52.5 -43.7 60.0 19.0 42.7 769 302 B H H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.947 111.4 48.4 -61.2 -45.5 59.1 22.4 44.2 770 303 B A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.898 113.3 45.6 -62.5 -44.7 56.2 22.8 41.7 771 304 B E H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.913 114.2 48.6 -66.0 -42.9 54.8 19.3 42.3 772 305 B M H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.922 108.8 53.8 -62.8 -44.8 55.1 19.7 46.1 773 306 B L H X S+ 0 0 10 -4,-3.1 4,-2.9 -5,-0.2 -1,-0.2 0.915 107.2 53.1 -54.3 -42.8 53.4 23.1 46.0 774 307 B V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.951 110.5 44.3 -58.9 -52.9 50.5 21.5 44.1 775 308 B K H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 11,-0.3 0.859 113.6 52.2 -60.5 -36.3 49.9 18.8 46.7 776 309 B S H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.3 -2,-0.2 0.919 107.7 50.1 -66.2 -46.5 50.2 21.4 49.5 777 310 B I H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.2 5,-0.3 0.943 112.3 50.3 -48.0 -48.2 47.6 23.5 47.6 778 311 B G H X S+ 0 0 0 -4,-2.6 6,-1.9 1,-0.2 4,-1.0 0.801 108.5 50.8 -63.2 -33.7 45.6 20.2 47.7 779 312 B Q H < S+ 0 0 33 -4,-2.1 4,-0.5 4,-0.3 -1,-0.2 0.840 115.8 42.3 -68.8 -36.7 46.2 19.8 51.4 780 313 B E H < S+ 0 0 49 -4,-2.2 -699,-1.4 2,-0.2 -698,-0.3 0.957 121.0 37.1 -72.8 -54.5 45.0 23.3 52.1 781 314 B T H < S+ 0 0 42 -4,-3.1 -701,-1.0 -5,-0.2 -697,-0.3 0.671 140.8 8.5 -80.9 -14.6 42.0 23.4 49.8 782 315 B A S < S- 0 0 3 -4,-1.0 -3,-0.2 -5,-0.3 -1,-0.2 0.462 91.6-116.4-142.0 -13.8 40.8 19.9 50.3 783 316 B G S S+ 0 0 46 -4,-0.5 2,-0.3 -5,-0.4 -4,-0.3 0.812 86.5 101.8 70.2 28.0 42.8 18.2 53.1 784 317 B A - 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0 0 4 -5,-1.7 2,-1.1 30,-0.1 -1,-0.3 -0.798 54.8-129.2 -93.9 127.3 42.2 34.6 34.9 804 337 B D - 0 0 110 -2,-0.5 3,-0.4 1,-0.1 4,-0.1 -0.653 28.6-178.3 -69.9 97.8 40.0 33.0 32.3 805 338 B T + 0 0 17 -2,-1.1 -1,-0.1 1,-0.2 -6,-0.1 -0.059 48.0 108.9 -94.9 35.2 41.3 29.4 32.6 806 339 B A S S+ 0 0 80 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.958 83.4 45.1 -68.2 -51.5 39.1 27.9 29.8 807 340 B G S S+ 0 0 18 -3,-0.4 -1,-0.2 2,-0.0 2,-0.2 0.601 97.6 98.7 -67.1 -14.6 42.1 27.4 27.5 808 341 B L + 0 0 11 -4,-0.1 2,-0.3 14,-0.1 14,-0.2 -0.512 45.9 178.2 -78.2 143.4 44.1 26.0 30.4 809 342 B V B -O 821 0R 67 12,-2.2 12,-2.8 -2,-0.2 2,-0.2 -0.901 13.3-162.4-144.2 114.8 44.5 22.3 30.9 810 343 B L + 0 0 33 -2,-0.3 3,-0.1 10,-0.2 12,-0.0 -0.569 27.3 158.2 -96.3 155.9 46.6 21.2 33.8 811 344 B N S S- 0 0 50 1,-0.7 2,-0.3 -2,-0.2 -1,-0.1 0.400 71.8 -2.6-148.5 -18.6 48.2 17.9 34.4 812 345 B D - 0 0 1 5,-0.1 -1,-0.7 1,-0.1 -41,-0.0 -0.919 66.8-109.9-160.2-176.6 51.1 18.6 36.8 813 346 B G S S+ 0 0 0 -2,-0.3 -291,-0.3 -46,-0.1 -292,-0.1 0.880 109.0 43.4 -90.7 -42.4 52.7 21.6 38.6 814 347 B S S S- 0 0 0 -47,-0.2 -295,-0.5 -296,-0.1 -296,-0.4 0.677 101.6-121.8 -75.2 -26.2 56.1 21.8 36.9 815 348 B G S S+ 0 0 1 -297,-0.2 -300,-0.3 -298,-0.1 -298,-0.1 0.625 76.6 124.4 77.7 16.3 54.9 21.3 33.3 816 349 B L + 0 0 18 -300,-0.1 -300,-0.1 -301,-0.1 4,-0.1 0.917 51.6 88.6 -61.0 -48.3 57.1 18.3 32.8 817 350 B S S > S- 0 0 1 1,-0.1 3,-0.8 2,-0.1 -302,-0.2 -0.237 78.4-136.9 -57.5 141.5 54.0 16.2 31.8 818 351 B R T 3 S+ 0 0 81 -214,-0.3 -1,-0.1 1,-0.2 -213,-0.0 0.583 94.0 73.4 -81.8 -8.7 53.1 16.3 28.2 819 352 B G T 3 S+ 0 0 30 2,-0.0 2,-0.4 -306,-0.0 -1,-0.2 0.206 71.6 116.5 -87.2 15.7 49.3 16.7 28.7 820 353 B N < - 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T 01364S 0 7,-2.9 7,-4.8 -2,-0.3 -17,-0.1 -0.926 28.9-164.1-112.7 101.3 17.0 90.0 -14.8 1358 425 C P + 0 0 28 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.019 30.1 95.8 -71.7-179.5 17.5 92.2 -11.7 1359 426 C G S > S- 0 0 12 1,-0.1 3,-1.0 148,-0.1 35,-0.1 -0.592 80.3 -56.7 123.7 175.5 18.6 95.9 -11.5 1360 427 C P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.839 118.3 66.5 -61.5 -42.7 17.4 99.5 -11.3 1361 428 C E T 3 S- 0 0 112 32,-0.3 -397,-0.1 1,-0.2 33,-0.1 0.386 127.9 -85.0 -60.0 8.2 15.0 99.5 -14.3 1362 429 C G < - 0 0 7 -3,-1.0 2,-0.3 31,-0.1 -1,-0.2 0.202 58.7 -67.2 83.6 143.0 13.0 97.1 -12.2 1363 430 C E - 0 0 59 148,-0.2 -400,-2.0 -3,-0.1 -399,-0.3 -0.449 54.9-142.8 -65.4 119.4 13.6 93.3 -12.1 1364 431 C L E -PT 9621357S 1 -7,-4.8 -7,-2.9 -2,-0.3 2,-0.4 -0.464 7.9-154.3 -84.7 156.9 12.9 91.6 -15.4 1365 432 C A E +PT 9611356S 0 -404,-3.0 -404,-2.3 -9,-0.3 2,-0.3 -0.975 20.2 167.7-136.8 121.6 11.3 88.1 -16.0 1366 433 C F E -PT 9601355S 0 -11,-2.7 -11,-1.9 -2,-0.4 2,-0.3 -0.864 18.3-162.0-132.6 161.2 12.0 86.1 -19.0 1367 434 C S E -PT 9591354S 0 -408,-1.7 -408,-1.9 -2,-0.3 2,-0.5 -0.936 4.6-176.0-151.6 122.2 11.4 82.6 -20.2 1368 435 C I E +PT 9581353S 0 -15,-2.4 -15,-3.2 -2,-0.3 2,-0.4 -0.985 5.9 177.7-121.8 120.8 13.1 80.8 -23.2 1369 436 C V E -PT 9571352S 0 -412,-2.4 -412,-2.2 -2,-0.5 2,-0.5 -0.953 7.0-168.0-129.3 113.2 12.0 77.3 -24.1 1370 437 C N E +PT 9561351S 0 -19,-3.6 -19,-2.7 -2,-0.4 2,-0.3 -0.860 12.7 176.7-103.7 126.8 13.5 75.5 -27.1 1371 438 C N E +PT 9551350S 18 -416,-2.0 -416,-0.5 -2,-0.5 -21,-0.2 -0.821 47.9 17.5-125.1 164.6 12.0 72.2 -28.5 1372 439 C G S S+ 0 0 59 -23,-1.2 -1,-0.2 -2,-0.3 2,-0.2 0.783 76.1 148.7 49.6 47.0 12.4 69.7 -31.3 1373 440 C H - 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