==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/ISOMERASE/PROTEIN BINDING 05-NOV-11 3UIO . COMPND 2 MOLECULE: SUMO-CONJUGATING ENZYME UBC9; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.GAREAU,D.REVERTER,C.D.LIMA . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.0 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 0 2 1 1 2 1 1 2 1 3 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 2 1 1 2 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 . 0 0 0 1 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 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 G 0 0 121 0, 0.0 4,-0.2 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 8.6 50.7 -60.9 -15.6 2 4 A I > + 0 0 37 64,-0.2 4,-3.1 62,-0.2 5,-0.3 0.408 360.0 101.1-100.4 -0.7 51.3 -61.9 -12.0 3 5 A A H > S+ 0 0 3 61,-0.5 4,-3.1 2,-0.2 5,-0.2 0.958 88.7 34.1 -56.7 -63.6 49.0 -59.5 -10.1 4 6 A L H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 119.8 53.0 -58.6 -40.4 46.0 -61.6 -9.3 5 7 A S H > S+ 0 0 64 -4,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.904 114.0 41.4 -62.7 -41.6 48.2 -64.7 -8.9 6 8 A R H >X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 3,-0.5 0.961 112.5 53.1 -71.3 -50.7 50.5 -62.9 -6.4 7 9 A L H 3X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.3 5,-0.2 0.905 106.5 54.6 -49.8 -47.6 47.6 -61.2 -4.5 8 10 A A H 3X S+ 0 0 26 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.3 0.887 109.5 47.3 -52.2 -42.1 46.0 -64.6 -4.0 9 11 A Q H X S+ 0 0 6 -4,-2.6 4,-3.4 1,-0.2 3,-0.6 0.908 107.2 57.8 -60.2 -48.6 49.8 -66.2 3.6 14 16 A W H 3< S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 100.7 57.2 -49.6 -46.7 48.2 -63.4 5.6 15 17 A R H 3< S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 116.6 34.7 -57.0 -39.4 45.6 -65.8 7.0 16 18 A K H << S+ 0 0 64 -4,-1.1 2,-0.4 -3,-0.6 -2,-0.2 0.911 133.2 19.5 -77.9 -47.1 48.3 -68.0 8.4 17 19 A D S < S+ 0 0 84 -4,-3.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.898 73.4 136.0-136.7 110.3 50.9 -65.3 9.3 18 20 A H - 0 0 69 -2,-0.4 3,-0.1 -3,-0.2 2,-0.1 -0.989 57.2 -83.3-149.0 153.3 50.2 -61.6 9.8 19 21 A P > - 0 0 27 0, 0.0 3,-1.7 0, 0.0 -2,-0.0 -0.368 55.6-101.8 -61.0 132.8 51.2 -58.9 12.3 20 22 A F T 3 S+ 0 0 80 1,-0.2 435,-0.1 -2,-0.1 3,-0.1 -0.217 103.8 21.2 -53.4 134.2 49.1 -58.8 15.4 21 23 A G T 3 S+ 0 0 2 1,-0.3 2,-0.3 431,-0.1 -1,-0.2 0.287 99.5 110.0 94.9 -8.8 46.4 -56.1 15.5 22 24 A F < - 0 0 7 -3,-1.7 2,-0.4 21,-0.1 -1,-0.3 -0.748 50.6-155.4-104.1 147.9 46.3 -55.6 11.8 23 25 A V E +A 42 0A 6 19,-2.0 19,-1.9 -2,-0.3 2,-0.4 -0.982 13.7 174.1-124.0 128.1 43.5 -56.5 9.3 24 26 A A E +A 41 0A 0 -2,-0.4 17,-0.2 17,-0.2 -2,-0.0 -0.882 13.2 161.7-130.8 107.3 43.8 -57.2 5.6 25 27 A V E -A 40 0A 5 15,-2.8 15,-2.7 -2,-0.4 417,-0.1 -0.943 33.2-133.7-127.8 114.0 40.6 -58.4 3.8 26 28 A P E -A 39 0A 4 0, 0.0 13,-0.3 0, 0.0 10,-0.2 -0.327 30.4-122.7 -55.4 138.6 39.9 -58.4 0.0 27 29 A T E -A 35 0A 24 11,-3.1 8,-3.5 8,-0.6 2,-0.4 -0.111 31.7 -96.0 -71.0 180.0 36.4 -57.0 -0.8 28 30 A K E -A 34 0A 85 6,-0.3 6,-0.3 8,-0.0 5,-0.1 -0.848 22.2-134.4-107.4 135.2 33.9 -59.1 -2.8 29 31 A N > - 0 0 52 4,-4.1 3,-2.9 -2,-0.4 6,-0.1 -0.481 39.9-100.1 -70.3 157.6 33.1 -59.0 -6.5 30 32 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.805 125.2 57.0 -48.6 -33.8 29.4 -58.9 -7.5 31 33 A D T 3 S- 0 0 120 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 0.396 123.5-104.7 -82.4 1.3 29.5 -62.7 -8.1 32 34 A G S < S+ 0 0 47 -3,-2.9 -1,-0.1 1,-0.4 3,-0.1 0.309 81.3 127.0 94.6 -10.0 30.8 -63.3 -4.6 33 35 A T S S- 0 0 71 1,-0.1 -4,-4.1 -5,-0.1 -1,-0.4 -0.358 70.3 -93.9 -69.0 159.9 34.4 -64.0 -5.6 34 36 A M E -A 28 0A 54 -6,-0.3 2,-0.9 -3,-0.1 -6,-0.3 -0.583 26.5-137.1 -74.6 136.6 37.1 -62.0 -3.8 35 37 A N E > -A 27 0A 43 -8,-3.5 3,-1.2 -2,-0.3 -8,-0.6 -0.846 19.7-173.0 -92.8 106.7 38.2 -58.8 -5.5 36 38 A L E 3 S+ 0 0 18 -2,-0.9 -1,-0.1 1,-0.3 3,-0.1 0.539 78.4 62.5 -82.3 -5.4 42.0 -59.1 -5.0 37 39 A M E 3 S+ 0 0 35 1,-0.2 25,-2.4 24,-0.1 2,-0.4 0.436 102.9 52.3 -96.6 -3.5 42.6 -55.6 -6.4 38 40 A N E < + B 0 61A 35 -3,-1.2 -11,-3.1 23,-0.2 2,-0.4 -0.850 68.1 175.5-137.1 109.4 40.6 -54.0 -3.7 39 41 A W E -AB 26 60A 0 21,-2.5 21,-2.9 -2,-0.4 2,-0.5 -0.880 23.8-143.3-114.8 138.9 41.4 -54.7 0.0 40 42 A E E -AB 25 59A 30 -15,-2.7 -15,-2.8 -2,-0.4 2,-0.3 -0.856 31.8-177.1 -94.8 130.9 39.9 -53.2 3.2 41 43 A C E -AB 24 58A 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.4 -0.861 21.5-154.3-130.3 159.8 42.6 -52.8 5.8 42 44 A A E -AB 23 57A 2 -19,-1.9 -19,-2.0 -2,-0.3 15,-0.2 -0.983 7.8-166.0-138.8 126.2 43.0 -51.7 9.5 43 45 A I E - B 0 56A 0 13,-2.8 13,-2.8 -2,-0.4 2,-0.3 -0.946 14.3-140.8-113.3 121.6 46.2 -50.4 11.1 44 46 A P E - B 0 55A 2 0, 0.0 11,-0.2 0, 0.0 8,-0.1 -0.607 29.7-108.0 -73.8 140.8 46.6 -50.1 14.8 45 47 A G - 0 0 0 9,-2.3 8,-0.5 6,-0.5 2,-0.1 -0.332 48.2 -90.8 -55.6 147.0 48.4 -46.9 16.1 46 48 A K > - 0 0 64 69,-0.3 3,-1.0 6,-0.1 6,-0.3 -0.394 45.6-107.8 -61.7 139.8 51.9 -47.8 17.4 47 49 A K T 3 S+ 0 0 128 1,-0.2 -1,-0.1 5,-0.1 4,-0.0 -0.451 103.2 26.4 -69.0 142.8 51.9 -48.6 21.1 48 50 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.745 105.3 95.4 73.8 23.5 53.5 -45.9 23.3 49 51 A T S X S- 0 0 18 -3,-1.0 3,-1.9 98,-0.0 -1,-0.3 -0.886 93.5-102.5-130.1 165.6 52.7 -43.1 20.8 50 52 A P T 3 S+ 0 0 11 0, 0.0 100,-0.3 0, 0.0 -5,-0.1 0.655 121.1 66.1 -60.0 -13.9 49.8 -40.7 20.7 51 53 A W T > S+ 0 0 1 -5,-0.2 3,-1.6 99,-0.1 -6,-0.5 0.605 75.8 125.5 -78.8 -11.4 48.5 -43.0 17.9 52 54 A E T < + 0 0 79 -3,-1.9 -6,-0.1 -6,-0.3 -5,-0.1 -0.153 69.1 19.0 -57.8 135.0 48.0 -45.9 20.4 53 55 A G T 3 S+ 0 0 24 -8,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.122 93.2 117.7 94.7 -21.0 44.5 -47.5 20.7 54 56 A G < - 0 0 0 -3,-1.6 -9,-2.3 100,-0.2 2,-0.6 -0.560 48.7-159.2 -77.1 139.4 43.3 -46.2 17.3 55 57 A L E -B 44 0A 18 98,-2.5 2,-0.6 -2,-0.2 -33,-0.0 -0.952 17.6-159.9-117.5 111.1 42.4 -48.8 14.6 56 58 A F E -B 43 0A 2 -13,-2.8 -13,-2.8 -2,-0.6 2,-0.3 -0.808 9.9-135.6-104.5 119.7 42.5 -46.9 11.3 57 59 A K E -B 42 0A 56 -2,-0.6 19,-1.7 19,-0.3 2,-0.4 -0.522 25.8-179.1 -74.4 133.3 40.7 -48.1 8.3 58 60 A L E -BC 41 75A 0 -17,-2.7 -17,-2.8 17,-0.3 2,-0.5 -0.998 19.6-143.8-132.7 135.2 42.7 -48.0 5.0 59 61 A R E -BC 40 74A 42 15,-3.7 15,-2.9 -2,-0.4 2,-0.6 -0.881 12.9-159.5 -97.6 132.7 41.7 -49.0 1.5 60 62 A M E -BC 39 73A 0 -21,-2.9 -21,-2.5 -2,-0.5 2,-0.6 -0.948 7.5-167.3-113.0 117.0 44.4 -50.6 -0.6 61 63 A L E -BC 38 72A 56 11,-3.0 11,-2.2 -2,-0.6 -23,-0.2 -0.899 5.0-172.1-112.2 119.1 43.9 -50.5 -4.4 62 64 A F - 0 0 3 -25,-2.4 2,-0.3 -2,-0.6 -25,-0.1 -0.427 4.8-157.2 -97.3 174.7 45.9 -52.5 -6.8 63 65 A K > - 0 0 149 6,-0.3 3,-2.0 -2,-0.1 6,-0.1 -0.890 40.7 -87.7-139.3 176.0 46.2 -52.7 -10.7 64 66 A D T 3 S+ 0 0 128 1,-0.3 -61,-0.5 -2,-0.3 -62,-0.2 0.732 119.3 65.7 -54.4 -29.1 47.3 -55.1 -13.4 65 67 A D T >> S+ 0 0 76 2,-0.1 3,-4.0 -63,-0.1 4,-1.0 0.448 82.5 162.6 -79.9 -0.0 50.9 -53.9 -13.1 66 68 A Y T <4 + 0 0 2 -3,-2.0 -64,-0.2 1,-0.4 -60,-0.2 -0.466 62.4 16.5 -68.2 136.1 51.3 -55.2 -9.5 67 69 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.4 0, 0.0 38,-0.2 -0.815 119.9 64.2 -95.6 40.0 53.9 -55.6 -8.2 68 70 A S T <4 S+ 0 0 62 -3,-4.0 -2,-0.2 1,-0.2 -3,-0.1 0.874 116.6 35.4 -77.9 -33.8 55.7 -53.4 -10.8 69 71 A S S < S- 0 0 16 -4,-1.0 -6,-0.3 -6,-0.1 -1,-0.2 -0.940 91.4-123.6-117.1 140.5 53.6 -50.7 -9.4 70 72 A P - 0 0 22 0, 0.0 27,-0.1 0, 0.0 25,-0.1 -0.350 33.6-100.3 -72.7 155.8 52.5 -50.3 -5.7 71 73 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.295 33.8-113.2 -66.4 161.5 48.9 -50.0 -4.7 72 74 A K E -C 61 0A 96 -11,-2.2 -11,-3.0 19,-0.0 2,-0.5 -0.863 33.0-150.8 -90.5 133.6 47.4 -46.7 -4.0 73 75 A C E -C 60 0A 1 -2,-0.5 17,-3.3 17,-0.4 2,-0.5 -0.941 14.7-176.2-116.6 127.3 46.5 -46.5 -0.2 74 76 A K E -CD 59 89A 59 -15,-2.9 -15,-3.7 -2,-0.5 2,-0.4 -0.973 22.0-135.4-128.3 116.7 43.6 -44.3 1.0 75 77 A F E -C 58 0A 3 13,-3.0 -17,-0.3 -2,-0.5 4,-0.1 -0.591 30.5-124.7 -68.7 124.5 42.7 -43.8 4.6 76 78 A E S S+ 0 0 61 -19,-1.7 -19,-0.3 -2,-0.4 12,-0.1 -0.941 99.8 18.1-119.5 111.7 38.9 -44.1 5.0 77 79 A P S S- 0 0 73 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.640 116.1 -99.6 -80.6 174.6 37.9 -41.7 6.3 78 80 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.166 41.5-133.2 -56.8 150.0 40.8 -39.3 5.7 79 81 A L - 0 0 7 6,-0.3 2,-0.8 9,-0.1 9,-0.1 -0.727 14.2-111.5-109.2 154.1 43.2 -38.9 8.7 80 82 A F + 0 0 28 -2,-0.3 5,-0.1 65,-0.1 69,-0.1 -0.774 69.9 119.3 -78.8 114.4 44.7 -35.9 10.3 81 83 A H S > S- 0 0 0 -2,-0.8 3,-1.4 3,-0.3 50,-0.2 -0.881 70.5-117.3-178.2 140.7 48.4 -36.3 9.5 82 84 A P T 3 S+ 0 0 0 0, 0.0 45,-4.0 0, 0.0 46,-1.1 0.763 113.1 45.3 -60.5 -30.8 51.0 -34.2 7.5 83 85 A N T 3 S+ 0 0 0 43,-0.3 8,-1.8 44,-0.2 2,-0.5 0.238 92.5 90.9-100.5 8.2 51.5 -36.9 4.8 84 86 A V B < S-E 90 0B 1 -3,-1.4 -3,-0.3 6,-0.2 6,-0.2 -0.940 73.3-132.4-103.6 125.3 47.9 -37.8 4.2 85 87 A Y > - 0 0 18 4,-2.9 3,-2.0 -2,-0.5 -6,-0.3 -0.297 28.7-105.8 -65.8 158.1 46.1 -35.9 1.4 86 88 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.777 123.0 62.3 -53.1 -28.6 42.6 -34.5 2.1 87 89 A S T 3 S- 0 0 42 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.655 121.9-108.4 -69.6 -18.8 41.4 -37.4 -0.1 88 90 A G S < S+ 0 0 0 -3,-2.0 -13,-3.0 1,-0.3 -9,-0.1 0.127 70.9 147.2 106.3 -14.7 42.8 -39.9 2.4 89 91 A T B -D 74 0A 7 -15,-0.3 -4,-2.9 -5,-0.1 -1,-0.3 -0.310 44.3-135.4 -58.8 126.6 45.5 -40.9 0.1 90 92 A V B -E 84 0B 4 -17,-3.3 2,-0.6 -6,-0.2 -17,-0.4 -0.668 11.9-153.6 -83.7 140.3 48.7 -41.8 2.0 91 93 A X + 0 0 27 -8,-1.8 145,-2.3 -2,-0.3 2,-0.4 -0.920 30.4 148.6-123.6 104.3 51.9 -40.4 0.6 92 94 A L B > -F 235 0C 0 -2,-0.6 3,-2.6 143,-0.3 143,-0.2 -0.999 51.0-123.7-145.1 135.9 55.0 -42.5 1.4 93 95 A S G > S+ 0 0 5 141,-2.6 7,-1.8 -2,-0.4 3,-1.6 0.809 110.5 55.0 -57.9 -36.4 58.2 -43.1 -0.5 94 96 A I G 3 S+ 0 0 4 6,-0.3 -1,-0.3 1,-0.3 8,-0.2 0.623 104.0 57.8 -69.6 -12.5 57.9 -46.9 -0.6 95 97 A L G < S+ 0 0 12 -3,-2.6 2,-0.6 6,-0.1 -1,-0.3 0.283 90.5 89.0 -93.4 4.8 54.4 -46.4 -2.2 96 98 A E X > - 0 0 66 -3,-1.6 5,-1.8 -4,-0.2 3,-1.6 -0.934 68.9-152.6-110.1 113.3 56.1 -44.4 -5.0 97 99 A E T 3 5S+ 0 0 102 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.814 95.0 52.2 -52.7 -33.4 57.2 -46.6 -7.9 98 100 A D T 3 5S+ 0 0 160 -3,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.626 119.6 25.6 -87.1 -9.8 60.0 -44.1 -8.8 99 101 A K T < 5S- 0 0 145 -3,-1.6 -5,-0.1 -6,-0.4 -2,-0.1 0.680 129.8 -8.2-116.3 -84.2 61.6 -43.8 -5.3 100 102 A D T 5S+ 0 0 44 -7,-1.8 -6,-0.3 -4,-0.2 -3,-0.1 0.595 90.4 115.5-102.1 -6.6 61.5 -46.5 -2.7 101 103 A W < + 0 0 18 -5,-1.8 -6,-0.1 -8,-0.7 -7,-0.1 -0.374 35.8 177.1 -66.6 133.6 59.0 -49.1 -4.1 102 104 A R > - 0 0 65 -8,-0.2 3,-2.1 -2,-0.1 -34,-0.1 -0.984 37.7-124.6-128.9 145.9 60.4 -52.5 -4.9 103 105 A P T 3 S+ 0 0 42 0, 0.0 -34,-0.1 0, 0.0 -35,-0.1 0.784 109.5 64.6 -61.2 -24.1 58.3 -55.4 -6.2 104 106 A A T 3 S+ 0 0 31 314,-0.1 2,-0.4 2,-0.1 -3,-0.0 0.583 76.8 104.2 -75.4 -11.6 59.6 -57.6 -3.3 105 107 A I < - 0 0 2 -3,-2.1 2,-0.2 -38,-0.2 64,-0.0 -0.610 65.1-151.9 -70.5 124.8 57.9 -55.2 -0.8 106 108 A T > - 0 0 5 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.486 28.9-101.5 -96.4 173.2 54.7 -57.1 0.4 107 109 A I H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.856 123.0 56.7 -58.8 -39.6 51.3 -56.0 1.7 108 110 A K H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.937 109.0 44.7 -54.8 -51.6 52.6 -56.7 5.2 109 111 A Q H > S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.890 110.8 54.6 -64.9 -38.3 55.5 -54.3 4.8 110 112 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.931 112.6 43.4 -57.9 -44.1 53.2 -51.8 3.2 111 113 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.917 114.8 48.0 -71.3 -42.1 50.9 -51.9 6.3 112 114 A L H X S+ 0 0 59 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.884 113.6 50.4 -61.6 -38.8 53.9 -51.9 8.7 113 115 A G H X S+ 0 0 5 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.930 107.2 50.4 -64.2 -48.9 55.3 -49.0 6.7 114 116 A I H X S+ 0 0 1 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.926 111.7 51.9 -57.9 -38.7 52.0 -47.0 6.8 115 117 A Q H >X S+ 0 0 23 -4,-2.2 3,-1.0 1,-0.2 4,-0.7 0.950 108.1 48.9 -57.1 -53.2 52.1 -47.7 10.6 116 118 A E H >X S+ 0 0 10 -4,-2.5 4,-0.6 1,-0.3 3,-0.5 0.893 107.2 57.9 -54.1 -41.5 55.7 -46.4 10.9 117 119 A L H >< S+ 0 0 5 -4,-2.7 3,-0.6 1,-0.2 -1,-0.3 0.803 91.2 72.9 -59.3 -31.0 54.7 -43.2 9.0 118 120 A L H << S+ 0 0 4 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.900 109.1 27.3 -55.5 -48.6 52.0 -42.4 11.5 119 121 A N H << S+ 0 0 62 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.401 120.6 59.7 -95.9 1.0 54.3 -41.2 14.3 120 122 A E S << S+ 0 0 93 -4,-0.6 115,-0.4 -3,-0.6 -1,-0.2 -0.505 70.5 176.4-129.1 68.1 57.1 -40.2 11.9 121 123 A P - 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0 0 40 1,-0.1 4,-1.9 -4,-0.1 5,-0.2 -0.958 43.7-133.9-154.3 141.6 59.8 -21.5 -1.5 374 568 C S H > S+ 0 0 93 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.959 107.9 45.4 -59.0 -56.4 61.7 -20.2 -4.6 375 569 C A H > S+ 0 0 18 1,-0.3 4,-0.9 2,-0.2 -34,-0.5 0.718 112.7 52.9 -65.0 -23.0 58.8 -18.2 -6.1 376 570 C L H 4 S+ 0 0 0 2,-0.2 7,-0.3 1,-0.1 -1,-0.3 0.813 109.9 47.4 -76.7 -35.4 58.0 -16.8 -2.6 377 571 C E H < S+ 0 0 93 -4,-1.9 3,-0.5 -3,-0.3 -2,-0.2 0.847 101.5 68.7 -70.6 -31.3 61.7 -15.7 -2.3 378 572 C S H < S+ 0 0 101 -4,-2.3 2,-0.6 1,-0.3 -2,-0.2 0.855 110.4 31.6 -56.2 -43.9 61.4 -14.2 -5.8 379 573 C C S X S+ 0 0 14 -4,-0.9 4,-1.6 1,-0.1 -1,-0.3 -0.832 74.4 163.7-112.2 97.7 59.1 -11.5 -4.6 380 574 C S H > S+ 0 0 74 -2,-0.6 4,-2.7 -3,-0.5 -1,-0.1 0.846 73.4 52.5 -81.9 -33.4 60.3 -11.0 -1.1 381 575 C F H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 110.1 46.8 -71.4 -40.7 58.6 -7.7 -0.6 382 576 C A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 116.1 47.3 -61.3 -48.1 55.2 -9.0 -1.6 383 577 C R H X S+ 0 0 37 -4,-1.6 4,-2.0 -7,-0.3 -2,-0.2 0.896 112.9 48.0 -58.8 -46.1 55.7 -12.0 0.6 384 578 C H H X S+ 0 0 102 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.885 110.3 51.3 -66.0 -38.9 56.9 -9.8 3.5 385 579 C S H X S+ 0 0 36 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.948 110.9 47.3 -67.0 -47.1 54.0 -7.4 3.2 386 580 C L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.868 109.6 55.1 -58.7 -39.7 51.4 -10.2 3.3 387 581 C L H X S+ 0 0 19 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.915 107.4 48.3 -61.2 -44.1 53.1 -11.8 6.3 388 582 C Q H X S+ 0 0 85 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.784 110.5 51.8 -71.2 -28.8 52.9 -8.6 8.3 389 583 C T H X S+ 0 0 7 -4,-1.7 4,-0.6 2,-0.2 3,-0.3 0.900 110.1 50.6 -64.8 -43.9 49.2 -8.2 7.4 390 584 C L H >< S+ 0 0 2 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.795 104.2 55.3 -68.7 -33.4 48.7 -11.8 8.6 391 585 C Y H 3< S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.846 104.4 56.8 -65.8 -32.3 50.4 -11.3 11.9 392 586 C K H 3< 0 0 147 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.669 360.0 360.0 -70.2 -21.3 48.0 -8.4 12.5 393 587 C V << 0 0 92 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.1 0.995 360.0 360.0 -71.0 360.0 44.9 -10.7 12.0 394 !* 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 0.0 395 2630 D L 0 0 148 0, 0.0 3,-0.2 0, 0.0 -217,-0.1 0.000 360.0 360.0 360.0 -39.1 87.3 -65.1 10.5 396 2631 D D - 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0 0 74 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.176 44.5 -98.3 -73.1 178.4 63.5 -75.3 -1.1 407 2642 D V H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.891 125.4 52.6 -63.9 -37.0 64.1 -74.8 -4.8 408 2643 D E H > S+ 0 0 146 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 108.8 46.0 -67.6 -48.5 60.3 -75.0 -5.2 409 2644 D E H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.925 114.7 47.9 -63.1 -45.7 59.4 -72.4 -2.7 410 2645 D K H X S+ 0 0 83 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.894 109.7 53.5 -62.2 -40.5 62.0 -70.0 -4.0 411 2646 D A H X S+ 0 0 47 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.925 111.0 46.2 -59.5 -43.8 60.9 -70.6 -7.6 412 2647 D K H X S+ 0 0 65 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.916 114.7 46.8 -64.9 -45.5 57.3 -69.7 -6.6 413 2648 D A H X>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.6 0.947 112.2 50.9 -59.2 -48.8 58.4 -66.6 -4.7 414 2649 D D H ><5S+ 0 0 81 -4,-3.3 3,-0.7 1,-0.2 -2,-0.2 0.855 105.9 55.5 -58.5 -36.8 60.7 -65.6 -7.7 415 2650 D T H 3<5S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.858 116.1 36.7 -65.7 -35.6 57.8 -66.0 -10.1 416 2651 D L H 3<5S- 0 0 7 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.347 112.8-117.6 -97.7 2.8 55.7 -63.6 -8.2 417 2652 D K T <<5 + 0 0 97 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.753 66.7 143.8 62.8 28.0 58.6 -61.3 -7.2 418 2653 D L < - 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 -314,-0.1 -0.531 61.4 -79.9 -90.2 159.2 58.1 -62.1 -3.5 419 2654 D P > - 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.262 42.9-114.5 -56.8 149.2 60.9 -62.5 -0.9 420 2655 D P T 3 S+ 0 0 52 0, 0.0 3,-0.4 0, 0.0 -7,-0.2 0.852 115.7 50.3 -52.3 -38.0 62.6 -65.9 -1.0 421 2656 D T T > S+ 0 0 14 1,-0.2 3,-1.2 -252,-0.2 4,-0.1 0.276 80.0 106.5 -87.9 9.2 61.3 -66.8 2.5 422 2657 D F G X S+ 0 0 21 -3,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.916 81.0 40.5 -56.7 -49.5 57.7 -65.8 1.7 423 2658 D F G > S+ 0 0 0 -3,-0.4 3,-1.7 -4,-0.3 -1,-0.2 0.281 83.1 103.5 -84.2 6.9 56.1 -69.4 1.5 424 2659 D X G X + 0 0 26 -3,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.557 61.4 79.3 -71.9 -5.8 58.1 -70.7 4.5 425 2660 D Y G X S+ 0 0 26 -3,-0.6 3,-1.3 1,-0.2 6,-0.3 0.750 82.1 66.2 -67.4 -25.2 55.0 -70.4 6.6 426 2661 D K G < S+ 0 0 74 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.595 93.6 60.4 -69.9 -14.4 53.9 -73.7 5.0 427 2662 D N G < S+ 0 0 93 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.333 78.6 115.4 -96.3 2.6 56.8 -75.4 6.8 428 2663 D R S < S- 0 0 159 -3,-1.3 3,-0.5 1,-0.1 -3,-0.0 -0.494 72.9-128.9 -70.2 141.7 55.4 -74.4 10.2 429 2664 D P S S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.747 109.4 57.2 -64.6 -27.8 54.4 -77.4 12.5 430 2665 D D S S+ 0 0 110 2,-0.0 -4,-0.1 0, 0.0 -3,-0.0 0.860 78.8 119.9 -62.0 -37.3 51.0 -75.7 13.0 431 2666 D Y - 0 0 64 -3,-0.5 -5,-0.0 -6,-0.3 -415,-0.0 0.032 45.8-166.4 -52.1 126.9 50.3 -75.5 9.3 432 2667 D V - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.403 36.3-121.0 -93.9 0.2 47.1 -77.4 8.4 433 2668 D S - 0 0 98 1,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.929 56.1-135.4 49.2 50.1 47.5 -77.6 4.6 434 2669 D E - 0 0 66 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.221 32.3-160.2 -55.8 147.6 44.2 -75.8 5.0 435 2670 D E + 0 0 170 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.929 46.9 119.8 -74.7 -49.4 41.0 -76.4 3.2 436 2671 D E - 0 0 78 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 0.258 49.6-144.1 -63.3 136.7 39.0 -73.2 3.7 437 2672 D E - 0 0 137 1,-0.1 2,-1.0 2,-0.0 3,-0.2 -0.422 35.5-103.7 -75.0 162.0 37.6 -70.8 1.1 438 2673 D D + 0 0 17 1,-0.2 -1,-0.1 -2,-0.1 -404,-0.0 -0.736 61.4 140.0 -98.8 98.7 37.6 -67.1 2.1 439 2674 D D + 0 0 86 -2,-1.0 2,-0.4 2,-0.1 -1,-0.2 0.509 38.3 116.0-104.0 -8.3 34.0 -66.0 3.0 440 2675 D E - 0 0 39 -3,-0.2 2,-0.0 1,-0.1 -2,-0.0 -0.454 53.8-149.8 -80.7 119.8 35.2 -63.8 5.9 441 2676 D D > - 0 0 70 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.229 25.8-101.3 -86.6 174.6 34.4 -60.1 5.5 442 2677 D F H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.944 116.3 50.2 -60.0 -53.4 36.3 -57.1 6.8 443 2678 D E H > S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.815 109.4 51.6 -60.4 -33.3 34.0 -56.2 9.7 444 2679 D T H > S+ 0 0 54 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.928 108.4 51.3 -66.1 -47.7 34.0 -59.8 11.1 445 2680 D A H < S+ 0 0 12 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.919 112.2 48.0 -54.2 -43.0 37.8 -59.7 11.0 446 2681 D V H >< S+ 0 0 38 -4,-2.4 3,-1.3 1,-0.2 5,-0.5 0.925 112.0 47.9 -64.0 -45.4 37.6 -56.4 12.9 447 2682 D K H >< S+ 0 0 163 -4,-2.8 3,-2.4 1,-0.3 -2,-0.2 0.899 101.9 65.3 -58.9 -40.6 35.2 -57.9 15.5 448 2683 D K T 3< S+ 0 0 133 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.579 89.3 67.5 -62.9 -10.6 37.4 -60.9 15.9 449 2684 D L T X S- 0 0 32 -3,-1.3 3,-1.9 -4,-0.3 -1,-0.3 0.741 90.4-150.5 -76.1 -25.2 40.1 -58.6 17.3 450 2685 D N T < - 0 0 144 -3,-2.4 -2,-0.1 -4,-0.4 -3,-0.1 0.729 63.2 -65.1 56.3 27.8 37.8 -58.1 20.4 451 2686 D G T 3 S+ 0 0 35 -5,-0.5 2,-0.9 1,-0.2 -1,-0.3 0.464 103.3 130.5 78.6 4.0 39.3 -54.6 20.8 452 2687 D K < + 0 0 73 -3,-1.9 -1,-0.2 1,-0.2 -431,-0.1 -0.785 23.8 167.6 -98.2 106.6 42.8 -56.0 21.6 453 2688 D L + 0 0 8 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.657 57.0 39.5 -92.6 -16.0 45.3 -54.2 19.4 454 2689 D Y S S- 0 0 46 -433,-0.1 2,-0.2 -408,-0.1 -433,-0.1 -0.905 81.6-101.7-135.5 157.2 48.7 -55.2 21.0 455 2690 D L - 0 0 106 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.527 18.9-167.4 -73.3 140.7 50.4 -58.2 22.6 456 2691 D D - 0 0 107 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.409 48.5-109.3-100.4 -1.9 50.6 -58.4 26.4 457 2692 D G S S+ 0 0 73 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.360 100.2 100.2 87.5 -3.2 53.1 -61.2 26.5 458 2693 D S 0 0 95 1,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.334 360.0 360.0 -93.2 4.8 50.4 -63.6 27.8 459 2694 D E 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.837 360.0 360.0 -70.3 360.0 49.6 -65.2 24.4