==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUL-09 3I5T . COMPND 2 MOLECULE: AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES 2.4.1; . AUTHOR Y.PATSKOVSKY,R.TORO,J.FREEMAN,J.DO,J.M.SAUDER,S.K.BURLEY,S.C . 886 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 642 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 53 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 4 0 0 2 0 0 4 0 2 0 0 4 2 2 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 0 PARALLEL BRIDGES PER LADDER . 4 2 4 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 0 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 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 10 A A > 0 0 95 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.6 -8.4 -22.8 16.7 2 11 A V H > + 0 0 20 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.889 360.0 50.5 -68.0 -41.6 -7.8 -19.1 15.7 3 12 A G H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 108.4 51.8 -62.0 -38.1 -4.3 -19.5 17.1 4 13 A A H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.812 109.8 49.7 -69.7 -32.6 -3.8 -22.7 15.1 5 14 A A H X S+ 0 0 2 -4,-1.3 4,-1.8 2,-0.2 5,-0.3 0.874 111.5 47.4 -71.7 -41.5 -4.9 -20.9 11.9 6 15 A M H X S+ 0 0 16 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.923 113.2 51.0 -60.8 -46.5 -2.5 -18.0 12.5 7 16 A R H < S+ 0 0 106 -4,-2.1 14,-0.3 1,-0.2 16,-0.2 0.857 119.7 32.0 -58.7 -45.7 0.3 -20.5 13.2 8 17 A D H < S+ 0 0 74 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.667 130.4 28.3 -92.6 -21.2 -0.2 -22.6 10.1 9 18 A H H < S+ 0 0 40 -4,-1.8 542,-3.0 -5,-0.1 2,-0.4 0.487 99.7 78.5-128.0 -5.2 -1.4 -20.0 7.5 10 19 A I B < -a 551 0A 1 -4,-1.9 2,-0.6 -5,-0.3 11,-0.2 -0.922 53.8-154.5-112.7 133.4 -0.0 -16.5 8.3 11 20 A L - 0 0 0 540,-2.5 542,-0.3 -2,-0.4 -4,-0.1 -0.942 29.1-147.5 -93.6 118.3 3.4 -15.1 7.7 12 21 A L > - 0 0 14 -2,-0.6 3,-1.2 540,-0.1 747,-0.2 -0.522 20.2 -98.9 -87.0 149.8 3.8 -12.3 10.3 13 22 A P T 3 S+ 0 0 3 0, 0.0 745,-0.2 0, 0.0 747,-0.2 -0.530 112.4 11.2 -60.0 137.3 5.7 -9.0 10.0 14 23 A A T 3 S- 0 0 27 743,-2.1 2,-0.3 745,-0.6 744,-0.2 0.787 91.4-178.0 56.4 36.8 9.1 -9.5 11.7 15 24 A Q E < -H 757 0B 9 -3,-1.2 742,-2.3 742,-0.7 2,-0.8 -0.484 31.1-128.2 -68.5 122.5 8.6 -13.3 12.0 16 25 A E E > -H 756 0B 52 -2,-0.3 3,-1.7 740,-0.2 740,-0.2 -0.650 20.6-151.6 -66.4 109.5 11.4 -15.1 13.7 17 26 A M G > S+ 0 0 0 738,-2.6 732,-2.1 -2,-0.8 3,-1.1 0.740 89.7 64.1 -66.8 -21.5 12.0 -17.7 10.9 18 27 A A G 3 S+ 0 0 38 737,-0.5 -1,-0.3 730,-0.3 730,-0.1 0.733 108.0 42.7 -69.1 -23.8 13.2 -20.3 13.4 19 28 A K G X> S+ 0 0 110 -3,-1.7 3,-2.0 733,-0.1 4,-1.1 0.050 79.2 143.4-113.5 21.9 9.8 -20.3 15.1 20 29 A L T <4 S+ 0 0 27 -3,-1.1 -9,-0.1 1,-0.3 -13,-0.1 -0.491 77.8 15.0 -61.4 123.1 7.7 -20.3 11.9 21 30 A G T 34 S+ 0 0 23 -2,-0.3 -1,-0.3 -14,-0.3 -14,-0.1 0.587 121.9 67.3 84.0 11.9 4.7 -22.4 12.5 22 31 A K T <4 S+ 0 0 166 -3,-2.0 -2,-0.2 -15,-0.1 -15,-0.1 0.377 70.4 123.2-132.4 -10.4 5.3 -22.4 16.3 23 32 A S < - 0 0 36 -4,-1.1 2,-0.4 -16,-0.2 -16,-0.1 -0.243 43.3-158.3 -65.3 139.2 4.6 -18.7 17.0 24 33 A A + 0 0 97 -18,-0.1 -1,-0.0 -17,-0.0 -20,-0.0 -0.955 11.0 179.0-116.5 136.4 1.9 -17.7 19.5 25 34 A Q - 0 0 38 -2,-0.4 503,-0.2 -22,-0.0 -19,-0.1 -0.987 38.2-102.0-129.8 143.3 0.3 -14.3 19.5 26 35 A P - 0 0 46 0, 0.0 503,-3.0 0, 0.0 2,-0.7 -0.407 37.9-127.7 -56.4 136.8 -2.4 -13.1 22.0 27 36 A V B -i 529 0C 5 501,-0.2 12,-1.2 -2,-0.1 2,-0.3 -0.846 18.8-156.1 -95.2 114.3 -5.8 -13.2 20.3 28 37 A L E +J 38 0D 6 501,-2.3 503,-0.5 -2,-0.7 10,-0.2 -0.714 17.5 171.8 -85.9 139.6 -7.8 -10.0 20.5 29 38 A T E - 0 0 55 8,-2.5 2,-0.3 1,-0.4 -1,-0.1 0.772 55.8 -1.8-115.1 -51.4 -11.5 -10.3 20.2 30 39 A H E -J 37 0D 73 7,-0.5 7,-2.1 8,-0.1 -1,-0.4 -0.929 54.0-162.6-147.5 170.8 -13.2 -7.0 21.0 31 40 A A E +J 36 0D 8 488,-1.9 2,-0.3 -2,-0.3 5,-0.2 -0.993 9.1 176.2-156.0 147.9 -12.6 -3.4 22.0 32 41 A E E > -J 35 0D 80 3,-1.9 3,-2.0 -2,-0.3 2,-0.3 -0.916 64.3 -24.3-158.8 137.6 -14.2 -0.2 23.5 33 42 A G B 3 S-M 58 0E 28 25,-2.6 25,-2.6 -2,-0.3 27,-0.1 -0.467 128.4 -23.3 63.9-124.2 -12.7 3.2 24.5 34 43 A I T 3 S+ 0 0 1 -2,-0.3 12,-3.4 23,-0.2 2,-0.3 0.342 122.0 97.0 -95.2 4.0 -9.0 2.7 25.3 35 44 A Y E < -JK 32 45D 27 -3,-2.0 -3,-1.9 10,-0.2 2,-0.3 -0.701 46.8-176.9-105.5 144.9 -9.6 -1.0 26.1 36 45 A V E -JK 31 44D 0 8,-2.6 8,-3.0 -2,-0.3 2,-0.4 -0.882 18.2-136.9-127.7 164.8 -9.1 -4.2 24.1 37 46 A H E -JK 30 43D 17 -7,-2.1 -8,-2.5 -2,-0.3 -7,-0.5 -0.966 4.5-137.8-130.7 140.7 -9.9 -7.8 25.2 38 47 A T E > -J 28 0D 2 4,-2.0 3,-1.7 -2,-0.4 -10,-0.2 -0.350 38.2-101.4 -83.5 170.9 -8.2 -11.2 24.9 39 48 A E T 3 S+ 0 0 117 -12,-1.2 -11,-0.1 1,-0.3 -1,-0.1 0.600 125.8 63.0 -69.5 -10.6 -9.9 -14.5 24.0 40 49 A D T 3 S- 0 0 135 -13,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.592 118.8-116.3 -78.2 -17.9 -9.8 -15.1 27.8 41 50 A G < + 0 0 45 -3,-1.7 -2,-0.1 1,-0.3 -11,-0.0 0.126 65.3 148.1 100.5 -18.9 -12.0 -12.1 28.2 42 51 A R - 0 0 92 -5,-0.1 -4,-2.0 1,-0.1 2,-0.4 -0.210 44.3-129.8 -51.3 131.1 -9.4 -10.1 30.1 43 52 A R E -K 37 0D 135 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.715 27.9-177.9 -89.6 132.8 -9.5 -6.4 29.6 44 53 A L E -K 36 0D 1 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.5 -0.969 30.1-115.8-129.2 147.6 -6.3 -4.5 28.7 45 54 A I E -Kl 35 402D 7 356,-2.3 358,-2.5 -2,-0.3 2,-2.0 -0.692 25.7-134.3 -76.2 124.3 -5.4 -0.8 28.1 46 55 A D E > + l 0 403D 9 -12,-3.4 3,-1.9 -2,-0.5 368,-0.1 -0.568 31.0 177.5 -80.4 77.7 -4.3 -0.3 24.5 47 56 A G T 3 S+ 0 0 0 -2,-2.0 367,-2.6 356,-0.7 -1,-0.2 0.812 77.2 44.1 -51.1 -43.6 -1.3 1.8 25.5 48 57 A P T 3> S- 0 0 7 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.385 109.5-119.6 -82.0 7.7 0.0 2.2 21.9 49 58 A A H <>> - 0 0 0 -3,-1.9 4,-2.2 1,-0.2 5,-2.2 0.956 69.6 -61.1 46.6 56.6 -3.5 3.0 20.5 50 59 A G H 45S- 0 0 9 1,-0.2 -1,-0.2 3,-0.2 474,-0.2 -0.603 122.0 -18.5 77.2 -86.2 -3.2 -0.1 18.3 51 60 A M H 45S- 0 0 7 -2,-1.8 -2,-0.2 472,-0.1 -1,-0.2 -0.565 115.2 -65.8-148.2 76.2 -0.2 1.3 16.4 52 61 A W H <5S+ 0 0 6 -4,-2.8 228,-0.4 362,-0.2 -3,-0.2 0.829 121.4 93.6 36.4 45.8 -0.3 5.0 17.2 53 62 A C T <5 + 0 0 0 -4,-2.2 2,-2.5 -5,-0.3 3,-0.2 0.699 45.0 86.7-129.4 -37.5 -3.5 5.1 15.2 54 63 A A > < + 0 0 0 -5,-2.2 3,-1.5 1,-0.2 363,-0.1 -0.346 47.7 161.8 -76.1 64.8 -6.7 4.8 17.2 55 64 A Q T 3 S+ 0 0 0 -2,-2.5 362,-1.8 1,-0.3 363,-0.8 0.866 75.6 35.0 -56.6 -43.7 -7.0 8.5 18.0 56 65 A V T 3 S- 0 0 3 1,-0.3 -1,-0.3 -3,-0.2 -23,-0.1 0.345 112.2-124.7 -94.8 6.1 -10.7 8.5 19.1 57 66 A G < - 0 0 0 -3,-1.5 3,-0.3 -23,-0.1 -1,-0.3 -0.277 42.3 -45.1 79.2-168.7 -10.5 5.0 20.7 58 67 A Y B S+M 33 0E 7 -25,-2.6 -25,-2.6 1,-0.2 -23,-0.1 -0.707 107.5 37.4-103.0 149.1 -12.6 2.0 19.9 59 68 A G + 0 0 24 458,-0.4 2,-0.9 -2,-0.3 -1,-0.2 0.676 61.8 153.8 93.3 21.1 -16.4 1.7 19.4 60 69 A R >> - 0 0 50 -3,-0.3 4,-1.5 1,-0.2 3,-0.8 -0.743 25.4-168.1 -87.1 105.9 -17.2 5.0 17.6 61 70 A R H 3> S+ 0 0 117 -2,-0.9 4,-4.0 1,-0.2 5,-0.3 0.768 80.5 71.2 -60.1 -30.9 -20.4 4.3 15.5 62 71 A E H 3> S+ 0 0 73 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.863 103.8 38.7 -56.0 -43.1 -19.8 7.6 13.6 63 72 A I H <> S+ 0 0 0 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.915 119.0 48.1 -74.5 -44.6 -16.8 6.3 11.7 64 73 A V H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.940 111.0 50.1 -61.6 -49.1 -18.4 2.8 11.2 65 74 A D H X S+ 0 0 85 -4,-4.0 4,-2.3 1,-0.2 -1,-0.2 0.879 112.3 47.3 -57.6 -41.6 -21.7 4.2 10.0 66 75 A A H X S+ 0 0 27 -4,-1.3 4,-1.5 -5,-0.3 -1,-0.2 0.824 112.9 49.9 -71.1 -32.9 -20.0 6.5 7.5 67 76 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.956 114.4 43.6 -61.7 -56.4 -17.9 3.5 6.3 68 77 A A H X S+ 0 0 18 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.847 112.0 52.5 -60.5 -41.8 -20.9 1.2 5.9 69 78 A H H X S+ 0 0 128 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.907 113.4 42.9 -64.8 -43.5 -23.1 3.8 4.2 70 79 A Q H X S+ 0 0 26 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.883 110.0 57.1 -70.6 -39.5 -20.5 4.7 1.6 71 80 A A H < S+ 0 0 0 -4,-2.4 434,-0.4 1,-0.2 -2,-0.2 0.881 113.8 40.7 -56.4 -39.3 -19.6 1.0 1.1 72 81 A M H < S+ 0 0 68 -4,-1.9 -2,-0.2 2,-0.2 405,-0.2 0.922 119.6 43.1 -74.4 -45.2 -23.3 0.4 0.2 73 82 A V H < S- 0 0 44 -4,-2.4 404,-2.3 1,-0.2 -2,-0.2 0.931 140.6 -19.8 -69.1 -50.2 -23.9 3.5 -1.9 74 83 A L < + 0 0 2 -4,-2.6 -1,-0.2 402,-0.2 -2,-0.2 -0.621 61.9 174.3-165.6 89.0 -20.7 3.5 -4.0 75 84 A P + 0 0 0 0, 0.0 247,-0.8 0, 0.0 2,-0.4 0.785 67.6 27.1 -76.0 -27.5 -17.7 1.5 -2.6 76 85 A Y + 0 0 1 244,-0.1 2,-0.3 245,-0.1 244,-0.1 -0.998 49.8 165.5-141.7 138.4 -15.4 1.9 -5.6 77 86 A A - 0 0 6 -2,-0.4 7,-0.1 5,-0.1 420,-0.1 -0.964 44.4-108.0-142.3 140.5 -14.6 4.3 -8.5 78 87 A S >> - 0 0 9 -2,-0.3 4,-3.5 418,-0.2 3,-1.0 -0.545 21.3-152.2 -67.1 120.5 -11.4 4.3 -10.6 79 88 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 237,-0.1 0.567 92.1 65.1 -72.7 -10.9 -9.3 7.3 -9.6 80 89 A W T 34 S+ 0 0 55 378,-0.1 3,-0.1 236,-0.1 378,-0.0 0.813 126.1 4.8 -74.6 -32.5 -7.8 7.4 -13.2 81 90 A Y T <4 S+ 0 0 83 -3,-1.0 2,-0.4 1,-0.2 -1,-0.0 0.679 118.9 62.3-124.0 -32.3 -11.2 8.3 -14.7 82 91 A M < - 0 0 18 -4,-3.5 2,-0.3 389,-0.2 -1,-0.2 -0.891 57.1-151.3-119.6 132.5 -13.9 8.8 -12.1 83 92 A A B -n 473 0F 2 389,-2.3 391,-2.4 -2,-0.4 2,-0.3 -0.672 11.5-166.0 -92.7 149.0 -14.3 11.4 -9.3 84 93 A T > - 0 0 5 -2,-0.3 4,-1.8 389,-0.2 5,-0.1 -0.966 28.1-123.8-129.9 155.3 -16.3 10.9 -6.0 85 94 A S H > S+ 0 0 49 389,-0.5 4,-3.0 -2,-0.3 5,-0.3 0.898 106.3 57.0 -59.4 -48.6 -17.5 13.2 -3.3 86 95 A P H > S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.911 111.2 43.4 -50.5 -47.8 -15.7 11.5 -0.3 87 96 A A H > S+ 0 0 0 232,-0.3 4,-2.2 2,-0.2 5,-0.2 0.920 116.2 47.7 -63.8 -46.8 -12.3 12.0 -2.0 88 97 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.895 115.7 43.3 -60.4 -46.9 -13.0 15.5 -3.1 89 98 A R H X S+ 0 0 72 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.810 112.7 52.6 -74.4 -32.2 -14.3 16.7 0.3 90 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.902 110.9 46.5 -68.4 -43.4 -11.5 14.9 2.3 91 100 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.900 112.7 51.2 -63.2 -41.5 -8.8 16.6 0.2 92 101 A E H X S+ 0 0 72 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.902 111.9 47.6 -59.6 -44.5 -10.6 19.9 0.6 93 102 A K H >< S+ 0 0 41 -4,-2.1 3,-0.9 2,-0.2 4,-0.4 0.899 111.4 48.0 -63.9 -46.9 -10.8 19.3 4.4 94 103 A I H >X S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 4,-1.8 0.888 102.9 63.3 -66.9 -38.8 -7.1 18.4 4.8 95 104 A A H 3< S+ 0 0 20 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.740 100.3 54.8 -54.0 -26.0 -6.0 21.4 2.7 96 105 A T T << S+ 0 0 99 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.646 111.4 44.1 -80.9 -15.9 -7.6 23.6 5.5 97 106 A L T <4 S+ 0 0 32 -3,-1.9 165,-0.2 -4,-0.4 -2,-0.2 0.724 92.9 90.4-102.2 -27.2 -5.4 21.8 8.2 98 107 A T S < S- 0 0 14 -4,-1.8 2,-0.1 4,-0.2 164,-0.0 -0.259 80.5-104.9 -70.0 155.4 -2.0 21.7 6.6 99 108 A P S > S- 0 0 12 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.411 77.6 -14.2 -73.9 160.8 0.6 24.5 7.0 100 109 A G T 3 S- 0 0 62 1,-0.2 173,-0.1 -2,-0.1 -2,-0.0 -0.104 122.6 -27.5 54.0-134.6 1.4 26.9 4.1 101 110 A D T 3 S+ 0 0 51 1,-0.1 2,-2.7 2,-0.0 194,-1.8 0.041 85.4 132.1-106.5 24.3 0.2 26.1 0.6 102 111 A L < + 0 0 1 -3,-1.5 192,-0.3 192,-0.3 -4,-0.2 -0.377 27.6 136.8 -74.3 73.1 0.1 22.3 0.9 103 112 A N + 0 0 33 -2,-2.7 2,-0.4 190,-0.4 -1,-0.2 0.325 40.4 78.1-113.3 3.1 -3.4 22.3 -0.6 104 113 A R E -O 293 0G 28 189,-1.1 189,-3.0 -3,-0.2 2,-0.4 -0.983 62.7-157.7-123.0 128.6 -3.2 19.4 -3.0 105 114 A I E -Op 292 456G 0 350,-3.0 352,-2.7 -2,-0.4 2,-0.5 -0.829 14.2-165.8-112.4 135.3 -3.5 15.8 -1.9 106 115 A F E -O 291 0G 2 185,-2.2 185,-2.3 -2,-0.4 2,-0.3 -0.981 25.2-145.6-110.4 129.1 -2.5 12.5 -3.5 107 116 A F E +O 290 0G 0 -2,-0.5 208,-0.4 350,-0.4 183,-0.3 -0.758 23.5 166.1-102.7 147.8 -4.1 9.5 -1.7 108 117 A T E -O 289 0G 1 181,-2.6 181,-2.3 -2,-0.3 211,-0.1 -0.695 46.7 -99.9-138.9-169.1 -2.7 6.0 -1.0 109 118 A T S S- 0 0 5 179,-0.3 2,-0.3 -2,-0.2 179,-0.1 0.405 90.6 -19.7-103.0 0.4 -3.6 3.0 1.1 110 119 A G S > S- 0 0 7 177,-0.2 4,-1.5 167,-0.1 179,-0.2 -0.982 79.9 -69.3 175.2-175.9 -1.1 3.6 3.9 111 120 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231 A G T 345S- 0 0 19 -80,-0.2 -1,-0.3 3,-0.1 -2,-0.2 0.627 136.6 -79.2 -66.6 -16.2 13.3 4.9 16.8 223 232 A G T <45S- 0 0 0 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.2 0.705 74.6 -62.3 119.7 38.8 12.2 5.4 20.4 224 233 A V S < - 0 0 12 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.288 63.7 -85.6 -52.8 138.2 17.0 19.5 20.0 229 238 A A T 3 S+ 0 0 101 1,-0.2 -38,-0.1 2,-0.1 39,-0.1 -0.217 117.4 32.3 -54.0 131.2 14.6 22.4 19.6 230 239 A G T 3> S+ 0 0 35 38,-0.2 4,-2.2 -3,-0.1 -1,-0.2 0.187 83.3 112.7 106.0 -15.3 15.4 24.4 16.4 231 240 A Y H <> S+ 0 0 2 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 0.903 76.7 47.5 -51.2 -51.0 16.6 21.4 14.4 232 241 A H H > S+ 0 0 3 36,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.883 114.0 46.1 -67.0 -42.6 13.7 21.4 11.9 233 242 A A H > S+ 0 0 48 35,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.881 113.0 49.5 -65.7 -43.0 13.9 25.1 11.2 234 243 A R H X S+ 0 0 95 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.888 114.0 45.6 -65.9 -40.6 17.7 25.1 10.8 235 244 A F H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.872 110.1 54.2 -70.2 -40.0 17.5 22.1 8.4 236 245 A K H X S+ 0 0 21 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 105.7 53.1 -58.1 -45.6 14.6 23.7 6.4 237 246 A A H X S+ 0 0 58 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.893 110.7 47.7 -57.7 -41.1 16.7 26.9 5.9 238 247 A I H X S+ 0 0 11 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.898 109.5 52.7 -67.0 -42.6 19.5 24.7 4.5 239 248 A C H <>S+ 0 0 0 -4,-2.5 5,-3.3 1,-0.2 4,-0.4 0.900 108.1 51.5 -55.9 -44.4 17.0 22.8 2.2 240 249 A E H <5S+ 0 0 131 -4,-2.4 3,-0.4 3,-0.2 -1,-0.2 0.805 103.9 58.1 -66.4 -33.1 15.8 26.1 0.8 241 250 A K H <5S+ 0 0 140 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 117.8 31.2 -61.3 -42.4 19.3 27.2 -0.0 242 251 A H T <5S- 0 0 47 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.268 112.9-112.0-104.6 11.0 20.0 24.2 -2.2 243 252 A D T 5 + 0 0 56 -3,-0.4 2,-0.5 -4,-0.4 -3,-0.2 0.936 60.2 160.3 55.9 52.1 16.4 23.7 -3.5 244 253 A I < - 0 0 3 -5,-3.3 -32,-0.2 -8,-0.2 2,-0.2 -0.904 42.3-119.0-105.9 128.2 16.0 20.4 -1.6 245 254 A L E -s 212 0G 2 -34,-2.5 -32,-2.9 -2,-0.5 2,-0.8 -0.484 19.4-145.2 -68.4 129.7 12.4 19.2 -0.9 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265 A G T > 5S+ 0 0 0 4,-2.3 3,-2.2 -3,-0.2 -1,-0.2 0.075 100.9 116.8 104.0 -21.6 -3.7 15.0 17.0 257 266 A R T < 5S+ 0 0 0 -3,-0.7 114,-2.6 1,-0.3 -3,-0.2 0.803 88.7 34.1 -52.9 -39.0 -0.8 13.0 18.4 258 267 A C T 3 - 0 0 7 -8,-0.2 4,-0.6 -165,-0.2 -1,-0.3 -0.993 67.0-159.9-135.8 128.2 -0.1 18.6 12.0 263 272 A A H >>S+ 0 0 0 -2,-0.4 5,-2.3 -3,-0.2 4,-1.8 0.727 71.4 89.6 -76.2 -23.5 3.0 18.9 14.2 264 273 A S H 45S+ 0 0 0 3,-0.2 6,-2.6 1,-0.2 -1,-0.2 0.861 104.4 10.8 -47.6 -60.8 5.4 20.3 11.5 265 274 A E H >5S+ 0 0 92 4,-0.3 4,-1.5 3,-0.2 -1,-0.2 0.931 129.5 48.8 -85.2 -50.1 4.8 24.0 11.9 266 275 A K H <5S+ 0 0 156 -4,-0.6 -2,-0.2 2,-0.2 -3,-0.1 0.812 129.5 18.5 -67.7 -34.5 2.8 24.5 15.0 267 276 A V T <5S+ 0 0 53 -4,-1.8 -3,-0.2 -5,-0.2 -1,-0.2 0.843 136.9 30.0 -98.2 -47.4 5.0 22.3 17.3 268 277 A F T 4 + 0 0 2 -27,-0.4 3,-2.3 -28,-0.4 5,-0.2 -0.752 54.0 52.8-165.0-143.2 -1.8 7.9 7.5 279 288 A K G > >S+ 0 0 14 1,-0.3 5,-1.8 9,-0.3 3,-1.6 -0.017 110.4 41.3 47.5 -98.5 -2.9 6.1 10.7 280 289 A 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<< S+ 0 0 95 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.636 113.6 32.1 -68.7 -17.2 7.1 24.7 -11.2 301 310 A I T < S+ 0 0 0 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.131 114.1 64.6-126.9 19.5 6.2 21.4 -13.1 302 311 A S S X S+ 0 0 16 -3,-1.0 3,-1.9 -4,-0.2 2,-0.3 -0.879 88.0 12.7-139.6 168.1 2.6 22.1 -14.3 303 312 A G G > S- 0 0 32 160,-2.6 3,-1.2 1,-0.3 4,-0.2 -0.523 136.7 -1.2 69.6-122.8 0.7 24.5 -16.6 304 313 A E G 3 S+ 0 0 205 -2,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.576 140.7 54.7 -72.4 -10.9 3.1 26.3 -18.8 305 314 A N G < S+ 0 0 88 -3,-1.9 -1,-0.2 -6,-0.3 -2,-0.2 0.231 78.1 99.9-103.7 9.7 5.9 24.5 -17.0 306 315 A A X - 0 0 3 -3,-1.2 3,-0.8 157,-0.1 157,-0.1 0.804 65.4-153.7 -70.6 -34.5 4.6 20.9 -17.6 307 316 A K T 3 - 0 0 181 1,-0.2 -3,-0.1 -4,-0.2 -1,-0.1 0.842 69.1 -64.3 58.1 37.1 6.9 19.9 -20.5 308 317 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.2 154,-0.0 2,-0.2 0.768 94.7 156.9 60.6 32.6 4.2 17.5 -21.7 309 318 A S < - 0 0 2 -3,-0.8 154,-2.0 -8,-0.2 155,-0.5 -0.529 30.8-159.8 -95.7 155.7 4.5 15.4 -18.6 310 319 A W E 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329 A Q <> - 0 0 2 -3,-1.3 4,-2.0 1,-0.1 -1,-0.2 -0.439 26.5-139.5 -64.1 127.3 -11.2 5.1 -2.5 321 330 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.798 95.5 54.7 -62.3 -35.4 -14.6 6.4 -1.4 322 331 A V H > S+ 0 0 0 -247,-0.8 4,-1.9 2,-0.2 -252,-0.1 0.918 111.8 42.0 -65.2 -47.3 -15.1 4.1 1.7 323 332 A A H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 116.4 50.0 -69.8 -37.0 -11.7 5.0 3.3 324 333 A C H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.854 109.0 51.1 -69.1 -37.0 -12.2 8.7 2.5 325 334 A A H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.892 111.1 49.3 -64.6 -41.3 -15.8 8.7 4.0 326 335 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.888 111.2 48.3 -63.0 -43.6 -14.4 7.1 7.2 327 336 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.893 109.8 53.1 -64.0 -41.5 -11.6 9.6 7.4 328 337 A L H X S+ 0 0 36 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.907 111.2 45.8 -61.4 -44.2 -14.1 12.5 6.9 329 338 A A H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.878 112.6 52.4 -64.3 -40.9 -16.3 11.1 9.7 330 339 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.958 112.3 43.1 -57.0 -54.6 -13.2 10.7 11.9 331 340 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 -50,-0.3 -2,-0.2 0.871 114.1 51.1 -62.1 -41.3 -12.0 14.3 11.4 332 341 A E H X S+ 0 0 55 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.890 111.5 48.0 -63.0 -42.6 -15.6 15.7 11.8 333 342 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.913 111.6 49.7 -60.4 -47.2 -15.9 13.7 15.1 334 343 A M H <>S+ 0 0 1 -4,-2.5 5,-2.4 2,-0.2 6,-0.5 0.838 114.5 46.1 -61.5 -35.5 -12.5 15.0 16.2 335 344 A E H ><5S+ 0 0 82 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.962 111.3 50.8 -68.8 -54.5 -13.6 18.5 15.4 336 345 A R H 3<5S+ 0 0 166 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.868 119.9 34.9 -49.5 -47.8 -17.0 18.2 17.1 337 346 A E T 3<5S- 0 0 79 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.225 106.4-122.0 -98.4 13.9 -15.6 16.9 20.3 338 347 A G T <>5 + 0 0 16 -3,-1.5 4,-2.6 -5,-0.1 -3,-0.2 0.865 51.7 161.4 45.5 48.0 -12.4 19.1 20.2 339 348 A I H > S+ 0 0 5 -6,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.913 112.5 48.3 -61.4 -45.1 -7.1 17.6 19.1 341 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