==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUL-09 3I4J . COMPND 2 MOLECULE: AMINOTRANSFERASE, CLASS III; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALM . 1530 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1121 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 79 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 515 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 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 6 2 2 4 8 0 0 4 0 8 0 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 10 8 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 . 6 0 4 12 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 4 0 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 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 3 A N 0 0 52 0, 0.0 863,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 15.9 45.4 52.8 11.1 2 4 A V B -a 864 0A 7 861,-0.2 2,-1.3 1,-0.1 863,-0.2 -0.646 360.0-135.7 -84.5 132.6 42.4 51.5 13.0 3 5 A F - 0 0 4 861,-2.7 863,-0.2 -2,-0.4 -1,-0.1 -0.726 30.8-154.4 -84.9 94.8 42.7 50.6 16.7 4 6 A Y - 0 0 56 -2,-1.3 835,-0.1 1,-0.1 3,-0.1 -0.299 20.5-121.3 -69.8 156.9 40.9 47.3 16.7 5 7 A R S S- 0 0 15 833,-0.3 1040,-0.3 1039,-0.1 2,-0.3 0.717 86.7 -13.0 -71.3 -21.8 39.2 46.1 19.9 6 8 A S S S- 0 0 34 2,-0.3 1034,-0.1 1038,-0.1 -1,-0.1 -0.943 76.9 -87.0-163.7-178.9 41.3 42.9 19.9 7 9 A S S S+ 0 0 102 1033,-0.3 3,-0.1 -2,-0.3 1033,-0.1 0.592 91.3 100.2 -78.5 -12.2 43.6 40.6 17.8 8 10 A K S S- 0 0 116 1,-0.1 -2,-0.3 1165,-0.1 2,-0.1 -0.228 87.4 -80.6 -71.5 164.9 40.7 38.7 16.3 9 11 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.402 36.0-168.5 -70.1 139.9 39.4 39.5 12.7 10 12 A Y - 0 0 23 -2,-0.1 831,-0.2 -3,-0.1 832,-0.2 -0.839 20.2-140.4-129.2 91.3 37.1 42.4 12.2 11 13 A P - 0 0 47 0, 0.0 831,-2.7 0, 0.0 2,-0.8 -0.150 22.1-114.0 -49.8 144.3 35.7 42.1 8.6 12 14 A V E -g 842 0B 8 829,-0.2 12,-2.5 831,-0.1 831,-0.3 -0.763 29.6-148.7 -88.5 109.6 35.4 45.5 6.9 13 15 A A E +gH 843 23B 0 829,-2.6 831,-2.1 -2,-0.8 10,-0.3 -0.534 25.6 166.8 -76.8 143.0 31.7 46.3 6.3 14 16 A V E + 0 0 18 8,-3.1 2,-0.3 1,-0.3 9,-0.2 0.584 59.3 29.2-128.2 -24.7 30.9 48.4 3.3 15 17 A R E - H 0 22B 85 7,-1.9 7,-2.8 2,-0.0 2,-0.4 -1.000 49.7-171.0-145.2 143.9 27.1 48.2 2.8 16 18 A G E + H 0 21B 2 816,-3.1 2,-0.4 -2,-0.3 5,-0.2 -0.997 12.8 171.2-133.6 126.9 24.0 47.7 4.9 17 19 A E E > - H 0 20B 113 3,-3.1 3,-2.1 -2,-0.4 2,-0.4 -0.912 59.5 -47.3-143.0 112.6 20.6 47.1 3.3 18 20 A G B 3 S-K 43 0C 32 25,-2.7 25,-3.0 -2,-0.4 344,-0.1 -0.526 125.2 -17.8 67.7-123.1 17.5 46.2 5.1 19 21 A V T 3 S+ 0 0 1 -2,-0.4 12,-3.3 23,-0.2 2,-0.3 0.315 122.5 93.2 -97.9 9.5 18.4 43.3 7.5 20 22 A F E < -HI 17 30B 30 -3,-2.1 -3,-3.1 10,-0.2 2,-0.3 -0.820 52.0-165.9-112.4 145.9 21.6 42.5 5.6 21 23 A L E -HI 16 29B 3 8,-2.2 8,-2.7 -2,-0.3 2,-0.4 -0.928 7.3-162.1-122.1 146.7 25.2 43.6 5.9 22 24 A Y E -HI 15 28B 35 -7,-2.8 -8,-3.1 -2,-0.3 -7,-1.9 -0.996 5.4-150.2-132.7 134.8 27.9 43.2 3.3 23 25 A D E > -H 13 0B 10 4,-1.7 3,-2.0 -2,-0.4 -10,-0.3 -0.483 36.0 -99.5 -98.4 172.8 31.7 43.3 3.7 24 26 A D T 3 S+ 0 0 67 -12,-2.5 -11,-0.1 1,-0.3 -1,-0.1 0.466 120.4 64.3 -70.0 -0.4 34.5 44.4 1.3 25 27 A A T 3 S- 0 0 27 -13,-0.2 -1,-0.3 2,-0.1 1168,-0.2 0.393 120.7-105.3-100.6 -0.7 35.1 40.7 0.6 26 28 A G S < S+ 0 0 62 -3,-2.0 -2,-0.1 1,-0.3 1165,-0.0 0.194 71.6 144.6 97.8 -15.7 31.6 40.2 -0.9 27 29 A R - 0 0 39 -5,-0.1 -4,-1.7 1,-0.1 2,-0.4 -0.196 36.1-150.6 -59.8 145.2 30.1 38.4 2.1 28 30 A R E -I 22 0B 139 -6,-0.2 2,-0.4 1162,-0.2 -6,-0.2 -0.935 11.7-170.6-118.1 141.8 26.5 38.9 3.1 29 31 A Y E -I 21 0B 7 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.6 -0.986 23.1-131.1-133.2 143.0 25.2 38.6 6.7 30 32 A L E -Ij 20 347B 8 316,-3.2 318,-2.9 -2,-0.4 2,-2.1 -0.842 25.9-133.7 -92.7 120.0 21.7 38.5 8.2 31 33 A D E > + j 0 348B 1 -12,-3.3 3,-1.1 -2,-0.6 318,-0.1 -0.497 35.2 169.6 -77.1 79.2 21.7 41.0 11.1 32 34 A G T 3 S+ 0 0 0 -2,-2.1 325,-2.4 316,-0.6 -1,-0.2 0.620 78.2 33.4 -67.4 -16.1 20.0 38.7 13.6 33 35 A S T 3> S- 0 0 0 323,-0.2 4,-3.5 316,-0.2 5,-0.3 0.192 105.6-118.2-123.7 14.7 20.6 41.0 16.6 34 36 A S H <>> - 0 0 0 -3,-1.1 4,-2.4 3,-0.2 5,-2.1 0.865 69.6 -68.1 49.3 41.1 20.5 44.4 14.8 35 37 A G H 45S- 0 0 1 1,-0.2 -1,-0.2 2,-0.2 322,-0.0 -0.746 120.8 -11.0 83.7-101.5 24.1 44.8 15.8 36 38 A A H 45S- 0 0 6 -2,-1.2 -1,-0.2 314,-0.1 -2,-0.2 -0.440 120.8 -70.8-124.8 53.6 23.5 45.1 19.6 37 39 A L H <5S+ 0 0 1 -4,-3.5 199,-0.3 320,-0.2 -3,-0.2 0.906 113.3 112.2 53.4 47.9 19.8 45.5 19.2 38 40 A V T <5 + 0 0 0 -4,-2.4 2,-2.7 -5,-0.3 3,-0.2 0.780 48.1 71.7-110.2 -52.3 20.4 48.9 17.7 39 41 A A > < + 0 0 1 -5,-2.1 3,-1.4 1,-0.2 201,-0.1 -0.332 56.3 159.8 -73.9 63.0 19.4 48.9 14.0 40 42 A N T 3 S+ 0 0 3 -2,-2.7 320,-1.8 1,-0.3 321,-0.5 0.690 71.0 38.7 -60.5 -26.2 15.6 48.7 14.8 41 43 A I T 3 S- 0 0 0 198,-0.3 -1,-0.3 1,-0.3 -23,-0.1 0.243 115.3-105.3-112.1 15.1 14.5 50.0 11.4 42 44 A G < - 0 0 1 -3,-1.4 3,-0.4 197,-0.1 -1,-0.3 -0.032 43.5 -63.5 85.8 168.1 17.0 48.3 9.1 43 45 A H B S+K 18 0C 7 -25,-3.0 -25,-2.7 1,-0.2 -23,-0.1 -0.596 101.9 28.4 -96.2 153.0 20.0 49.5 7.3 44 46 A G + 0 0 23 786,-0.5 2,-1.3 -2,-0.2 -1,-0.2 0.772 60.6 169.3 76.6 30.6 20.4 52.0 4.5 45 47 A R >> - 0 0 43 -3,-0.4 4,-1.7 785,-0.3 3,-0.7 -0.613 13.1-173.0 -77.3 97.4 17.3 54.2 5.1 46 48 A A H 3> S+ 0 0 51 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.758 80.8 68.1 -61.5 -23.7 18.1 57.1 2.7 47 49 A E H 3> S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.934 101.7 43.7 -61.2 -47.1 15.1 58.9 4.2 48 50 A V H <> S+ 0 0 0 -3,-0.7 4,-2.3 1,-0.2 5,-0.2 0.908 110.9 55.8 -65.9 -40.6 16.9 59.3 7.5 49 51 A G H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.924 107.1 49.2 -57.6 -45.1 20.1 60.3 5.7 50 52 A E H X S+ 0 0 111 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.859 109.7 51.3 -63.6 -36.2 18.3 63.1 4.0 51 53 A R H X S+ 0 0 72 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.877 111.3 47.8 -68.5 -37.8 16.7 64.4 7.2 52 54 A M H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.914 111.5 50.6 -68.1 -42.2 20.2 64.4 8.9 53 55 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.911 108.3 52.3 -62.3 -41.7 21.6 66.3 5.9 54 56 A A H X S+ 0 0 43 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.890 112.1 46.1 -62.0 -38.2 18.8 68.9 6.0 55 57 A Q H X S+ 0 0 4 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.893 109.3 53.7 -72.2 -40.0 19.6 69.5 9.7 56 58 A A H < S+ 0 0 0 -4,-2.6 762,-0.5 1,-0.2 763,-0.2 0.891 111.9 46.1 -60.9 -39.1 23.3 69.7 9.2 57 59 A A H < S+ 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.723 121.7 36.9 -76.0 -21.9 22.8 72.3 6.5 58 60 A R H < S- 0 0 83 -4,-1.1 732,-3.1 -3,-0.2 -2,-0.2 0.886 139.8 -18.6 -95.3 -51.5 20.3 74.3 8.7 59 61 A L < + 0 0 0 -4,-3.0 -2,-0.2 730,-0.3 -1,-0.1 -0.599 60.9 170.6-161.9 90.6 21.6 74.1 12.2 60 62 A P + 0 0 0 0, 0.0 215,-1.2 0, 0.0 2,-0.4 0.854 64.3 20.9 -75.4 -34.6 24.1 71.3 13.0 61 63 A F + 0 0 2 213,-0.2 2,-0.3 212,-0.1 212,-0.1 -0.986 46.6 154.2-149.5 138.1 25.1 72.3 16.5 62 64 A V - 0 0 8 -2,-0.4 2,-0.5 -3,-0.1 7,-0.0 -0.963 40.1-121.0-147.4 146.8 24.2 74.3 19.6 63 65 A H >> - 0 0 17 -2,-0.3 3,-2.5 1,-0.1 4,-2.3 -0.839 20.3-130.7 -94.9 131.6 25.4 73.6 23.2 64 66 A G T 34 S+ 0 0 17 207,-0.5 715,-0.4 -2,-0.5 -1,-0.1 0.609 104.0 64.0 -55.3 -18.2 22.5 72.9 25.6 65 67 A S T 34 S+ 0 0 45 1,-0.1 -1,-0.3 201,-0.1 3,-0.1 0.639 117.5 28.2 -80.6 -12.6 23.9 75.4 28.2 66 68 A Q T <4 S+ 0 0 29 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.747 126.4 10.8-114.3 -40.6 23.3 78.2 25.6 67 69 A F < - 0 0 4 -4,-2.3 -1,-0.3 717,-0.1 719,-0.2 -0.987 46.3-150.9-145.4 154.6 20.4 77.2 23.3 68 70 A S E -l 786 0D 6 717,-2.6 719,-2.5 -2,-0.3 2,-0.3 -0.421 33.5-132.8-102.5-175.3 17.6 74.7 22.8 69 71 A S E > -l 787 0D 0 717,-0.3 4,-2.2 -2,-0.2 719,-0.2 -0.971 14.7-120.3-141.4 158.0 16.7 74.0 19.1 70 72 A D H > S+ 0 0 53 717,-2.1 4,-2.4 -2,-0.3 5,-0.2 0.893 114.4 53.3 -66.5 -35.7 13.4 73.9 17.2 71 73 A V H > S+ 0 0 5 716,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.874 109.8 47.8 -67.0 -34.3 14.1 70.3 16.2 72 74 A L H > S+ 0 0 16 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.910 110.9 50.9 -71.7 -40.2 14.7 69.2 19.8 73 75 A E H X S+ 0 0 50 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.920 115.1 44.4 -60.8 -42.8 11.5 71.0 20.9 74 76 A E H X S+ 0 0 104 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.963 115.6 46.0 -65.4 -53.3 9.6 69.2 18.1 75 77 A Y H X S+ 0 0 1 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.892 106.4 58.8 -58.4 -44.2 11.2 65.8 18.8 76 78 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.919 110.9 42.0 -53.6 -46.2 10.7 66.0 22.5 77 79 A G H X S+ 0 0 5 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.924 115.1 49.3 -68.1 -44.8 7.0 66.3 22.1 78 80 A R H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.906 114.2 45.2 -60.7 -45.0 6.7 63.7 19.4 79 81 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 6,-0.3 0.935 111.0 52.6 -65.0 -48.4 8.7 61.1 21.3 80 82 A A H <>S+ 0 0 0 -4,-2.1 5,-2.3 -5,-0.3 4,-0.4 0.919 112.9 45.5 -53.8 -46.9 6.8 61.7 24.6 81 83 A R H ><5S+ 0 0 139 -4,-2.3 3,-1.3 5,-0.3 -1,-0.2 0.932 110.3 53.3 -64.6 -46.5 3.5 61.2 22.7 82 84 A F H 3<5S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.908 109.7 47.4 -56.5 -44.6 4.7 58.1 20.9 83 85 A V T 3<5S- 0 0 1 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.489 117.1-108.1 -79.7 -0.3 5.8 56.3 24.1 84 86 A G T < 5S+ 0 0 45 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.688 96.9 101.5 83.9 17.2 2.7 57.1 26.0 85 87 A L > < + 0 0 4 -5,-2.3 3,-1.8 -6,-0.3 -4,-0.2 -0.443 41.7 162.9-128.3 55.2 4.3 59.6 28.3 86 88 A P T 3 S+ 0 0 66 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 0.681 71.9 43.4 -48.4 -31.8 3.0 62.8 26.5 87 89 A T T 3 S+ 0 0 88 -7,-0.2 162,-0.1 -3,-0.1 -6,-0.1 0.486 90.0 113.9 -97.6 -2.8 3.6 65.3 29.3 88 90 A F < - 0 0 20 -3,-1.8 2,-0.5 -8,-0.1 162,-0.2 -0.248 67.4-116.4 -69.9 156.3 7.1 64.0 30.3 89 91 A R E -P 249 0E 63 160,-2.8 160,-2.5 687,-0.1 2,-0.5 -0.826 22.8-138.3 -99.7 128.0 10.3 66.0 29.9 90 92 A F E -Pq 248 776E 2 685,-3.4 687,-2.9 -2,-0.5 2,-0.7 -0.740 13.4-169.4 -92.8 123.4 13.0 64.7 27.5 91 93 A W E -P 247 0E 8 156,-2.9 156,-1.6 -2,-0.5 2,-0.3 -0.933 17.8-153.6-110.9 105.2 16.7 64.9 28.5 92 94 A A E +P 246 0E 7 -2,-0.7 154,-0.3 154,-0.2 2,-0.2 -0.658 23.6 157.7 -89.0 134.9 18.8 64.1 25.4 93 95 A V E -P 245 0E 1 152,-2.5 152,-2.1 -2,-0.3 179,-0.1 -0.714 45.5-108.6-136.2-173.1 22.3 62.6 25.6 94 96 A S S S+ 0 0 8 150,-0.2 2,-0.3 -2,-0.2 956,-0.1 0.582 86.2 22.5-104.5 -8.5 24.5 60.6 23.2 95 97 A G S > S- 0 0 18 148,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.990 74.6-106.5-154.6 160.8 24.6 57.1 24.6 96 98 A G H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.870 116.3 52.4 -55.4 -43.8 22.9 54.6 26.8 97 99 A S H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 108.4 51.0 -63.9 -35.3 25.4 54.9 29.7 98 100 A E H > S+ 0 0 37 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.874 111.0 50.5 -67.9 -34.6 25.0 58.6 29.7 99 101 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.917 112.1 44.2 -69.6 -44.8 21.2 58.2 29.9 100 102 A T H X S+ 0 0 40 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.912 113.2 51.9 -66.4 -41.6 21.3 55.7 32.8 101 103 A E H X S+ 0 0 82 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.4 49.4 -59.3 -43.6 23.8 57.8 34.6 102 104 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.872 108.3 53.7 -63.5 -39.1 21.6 60.9 34.2 103 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.914 110.5 45.6 -63.7 -44.3 18.6 58.9 35.4 104 106 A V H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.913 113.5 48.9 -66.9 -42.3 20.3 57.9 38.7 105 107 A K H X S+ 0 0 100 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.893 112.2 49.9 -64.3 -37.3 21.6 61.4 39.3 106 108 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.909 109.2 50.6 -66.7 -43.1 18.2 62.8 38.7 107 109 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.891 113.9 45.2 -62.1 -41.0 16.5 60.4 41.1 108 110 A R H X S+ 0 0 73 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.910 112.2 50.1 -70.3 -41.9 19.0 61.3 43.8 109 111 A Q H X S+ 0 0 37 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.843 100.4 66.9 -64.9 -33.2 18.8 65.0 43.2 110 112 A Y H X S+ 0 0 17 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.912 105.5 41.3 -52.4 -47.2 15.0 64.7 43.4 111 113 A H H <>S+ 0 0 0 -4,-1.0 5,-3.4 -3,-0.3 -1,-0.2 0.821 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27.8-141.7 -85.1 122.9 14.8 46.7 32.6 172 198 A P S S+ 0 0 1 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.950 96.7 19.6 -51.0 -50.3 11.1 45.7 32.0 173 199 A V S S- 0 0 1 9,-0.1 9,-0.2 -3,-0.1 36,-0.2 -0.990 103.4-115.1-118.4 126.8 12.4 42.8 29.9 174 200 A V - 0 0 0 7,-3.0 6,-1.1 -2,-0.5 7,-0.1 -0.311 27.2-153.1 -67.1 144.9 16.0 41.8 30.7 175 201 A G > - 0 0 0 4,-0.2 3,-1.3 5,-0.2 5,-0.4 0.412 60.1 -30.0 -88.9-134.6 18.7 42.2 28.1 176 202 A A G > S+ 0 0 50 1,-0.3 3,-0.8 3,-0.2 177,-0.1 0.778 122.6 75.2 -57.7 -31.4 22.0 40.3 27.6 177 203 A S G 3 S- 0 0 55 1,-0.3 -1,-0.3 -49,-0.0 2,-0.1 0.850 126.3 -1.8 -49.4 -40.3 22.4 39.7 31.4 178 204 A D G X S- 0 0 11 -3,-1.3 3,-2.6 3,-0.1 -1,-0.3 -0.604 100.9-110.0-156.1 81.7 19.7 37.1 31.1 179 205 A A T < S- 0 0 1 -3,-0.8 149,-0.2 1,-0.3 -4,-0.2 0.202 84.4 -28.3 -23.3 102.0 18.4 36.9 27.5 180 206 A A T 3 S+ 0 0 1 -6,-1.1 2,-0.3 -5,-0.4 -1,-0.3 0.707 81.8 174.2 56.8 27.9 14.9 38.3 27.3 181 207 A L < - 0 0 4 -3,-2.6 -7,-3.0 -6,-0.4 -1,-0.2 -0.497 8.8-173.2 -66.4 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