==== 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 HYDROLASE 12-MAY-04 1WD8 . COMPND 2 MOLECULE: PROTEIN-ARGININE DEIMINASE TYPE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.ARITA,H.HASHIMOTO,T.SHIMIZU,K.NAKASHIMA,M.YAMADA,M.SATO . 559 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 21.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 1 0.2 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 . 49 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 2 2 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 PARALLEL BRIDGES PER LADDER . 4 3 4 1 5 2 2 0 1 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 5 3 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 2 A A 0 0 113 0, 0.0 2,-0.3 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0-165.0 -1.2 15.2 -24.6 2 3 A Q + 0 0 170 19,-0.4 21,-1.4 22,-0.0 2,-0.3 -0.885 360.0 67.6-131.2 160.7 -3.5 18.4 -24.8 3 4 A G + 0 0 39 -2,-0.3 21,-0.1 19,-0.2 243,-0.1 -0.967 49.8 26.4 140.3-146.4 -5.1 20.4 -27.7 4 5 A T - 0 0 49 -2,-0.3 21,-2.8 241,-0.1 2,-0.5 0.030 27.4-147.9 -92.4 166.0 -7.4 20.9 -30.7 5 6 A L E -a 25 0A 82 19,-0.2 2,-0.5 21,-0.1 21,-0.2 -0.975 18.0-164.1-122.7 113.7 -10.7 19.9 -32.5 6 7 A I E -a 26 0A 12 19,-2.4 21,-3.2 -2,-0.5 2,-0.4 -0.855 8.9-149.4 -95.9 126.9 -10.7 20.1 -36.4 7 8 A R E -a 27 0A 141 -2,-0.5 2,-0.4 19,-0.2 21,-0.1 -0.834 8.1-153.1 -98.8 134.2 -14.1 20.0 -38.1 8 9 A V - 0 0 1 19,-1.9 84,-0.1 -2,-0.4 82,-0.1 -0.917 12.2-176.0-112.6 131.6 -14.4 18.4 -41.5 9 10 A T - 0 0 54 -2,-0.4 82,-0.3 3,-0.4 3,-0.1 -0.980 29.3-143.2-130.0 118.6 -17.1 19.4 -44.1 10 11 A P S S+ 0 0 39 0, 0.0 79,-0.1 0, 0.0 -1,-0.1 0.616 94.7 76.0 -46.0 -17.7 -17.8 17.9 -47.5 11 12 A E S S- 0 0 184 1,-0.2 20,-0.0 77,-0.1 -3,-0.0 0.999 113.8 -10.7 -61.0 -74.1 -18.6 21.5 -48.7 12 13 A Q S S- 0 0 136 -3,-0.1 -3,-0.4 1,-0.0 -1,-0.2 -0.956 82.6 -96.1-125.1 148.5 -15.0 22.8 -48.9 13 14 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 79,-0.2 -0.136 37.1-129.4 -52.6 155.2 -11.7 21.3 -47.8 14 15 A T E -d 92 0B 33 77,-2.0 79,-2.9 2,-0.0 2,-0.3 -0.744 13.3-156.6-105.3 151.3 -10.2 22.4 -44.4 15 16 A H E +d 93 0B 137 -2,-0.3 2,-0.3 77,-0.2 79,-0.2 -0.950 23.5 157.6-123.0 149.4 -6.7 23.6 -43.8 16 17 A A E -d 94 0B 24 77,-1.9 79,-2.9 -2,-0.3 2,-0.3 -0.965 35.0-123.5-167.1 154.3 -4.9 23.4 -40.3 17 18 A V E -d 95 0B 21 -2,-0.3 2,-0.4 77,-0.2 79,-0.2 -0.752 17.3-163.3 -99.2 147.1 -1.8 23.4 -38.3 18 19 A C E -d 96 0B 4 77,-2.4 79,-2.1 -2,-0.3 2,-0.4 -0.985 12.4-146.0-128.1 122.0 -0.8 20.6 -35.9 19 20 A V E > -d 97 0B 8 -2,-0.4 3,-1.7 77,-0.2 79,-0.2 -0.667 29.3-106.9 -83.8 137.4 1.9 21.3 -33.5 20 21 A L T 3 S+ 0 0 47 77,-3.0 79,-0.4 -2,-0.4 3,-0.1 -0.469 104.0 31.5 -66.2 136.4 4.0 18.3 -32.6 21 22 A G T 3 S+ 0 0 70 1,-0.4 -19,-0.4 43,-0.2 -1,-0.2 0.265 98.2 104.0 100.8 -4.6 3.3 17.0 -29.2 22 23 A T S < S- 0 0 21 -3,-1.7 2,-0.7 -21,-0.2 -1,-0.4 -0.606 73.1-113.6-109.0 171.9 -0.4 17.9 -29.1 23 24 A L - 0 0 49 -21,-1.4 2,-0.6 -2,-0.2 40,-0.1 -0.874 27.0-167.2-109.8 101.2 -3.5 15.9 -29.5 24 25 A T E - B 0 62A 4 38,-1.1 38,-2.6 -2,-0.7 2,-0.2 -0.815 8.3-170.0 -92.8 115.6 -5.5 16.8 -32.6 25 26 A Q E -aB 5 61A 75 -21,-2.8 -19,-2.4 -2,-0.6 2,-0.4 -0.633 11.8-136.5-101.6 167.5 -9.1 15.3 -32.6 26 27 A L E -a 6 0A 10 34,-1.9 2,-0.9 -2,-0.2 34,-0.3 -0.968 3.2-148.3-138.0 121.8 -11.4 15.2 -35.6 27 28 A D E +a 7 0A 37 -21,-3.2 -19,-1.9 -2,-0.4 32,-0.1 -0.783 28.7 159.2 -94.8 104.9 -15.1 16.0 -35.8 28 29 A I + 0 0 4 -2,-0.9 -1,-0.2 30,-0.2 26,-0.0 0.919 64.2 60.5 -88.6 -51.1 -16.6 13.9 -38.5 29 30 A C S S+ 0 0 34 1,-0.2 2,-1.7 26,-0.1 -1,-0.1 0.654 80.9 88.1 -54.5 -21.5 -20.4 13.8 -37.7 30 31 A S 0 0 61 26,-0.1 -1,-0.2 -22,-0.0 -3,-0.1 -0.525 360.0 360.0 -83.5 78.1 -20.8 17.6 -38.0 31 32 A S 0 0 107 -2,-1.7 -22,-0.1 -22,-0.1 -2,-0.1 -0.605 360.0 360.0-139.6 360.0 -21.6 17.7 -41.8 32 ! 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 33 39 A S 0 0 60 0, 0.0 48,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.3 -20.8 5.0 -42.2 34 40 A F E -E 80 0B 2 18,-3.5 2,-0.3 19,-0.3 46,-0.2 -0.972 360.0-151.7-141.5 158.9 -17.4 6.6 -43.1 35 41 A S E -E 79 0B 32 44,-1.4 44,-2.8 -2,-0.3 2,-0.4 -0.968 14.0-136.0-131.6 151.3 -13.8 5.4 -43.7 36 42 A I E +E 78 0B 28 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.897 23.1 168.4-115.7 136.0 -10.5 7.3 -43.2 37 43 A N E +E 77 0B 103 40,-2.5 40,-3.3 -2,-0.4 2,-0.3 -0.998 11.3 161.9-145.3 135.9 -7.5 7.5 -45.4 38 44 A A E -E 76 0B 27 -2,-0.3 38,-0.2 38,-0.2 4,-0.1 -1.000 41.1 -68.7-158.2 154.7 -4.4 9.8 -45.2 39 45 A S > - 0 0 27 36,-1.0 3,-1.9 -2,-0.3 35,-0.1 0.107 58.2-100.5 -39.6 158.0 -0.8 10.6 -46.1 40 46 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 34,-0.1 0.703 117.6 55.8 -65.4 -28.3 1.8 8.3 -44.8 41 47 A G T 3 S+ 0 0 15 2,-0.1 24,-1.7 1,-0.0 2,-0.6 0.284 87.8 85.0 -89.5 4.1 2.9 10.6 -41.9 42 48 A V E < -C 64 0A 9 -3,-1.9 2,-0.7 22,-0.2 22,-0.2 -0.942 65.7-156.7-104.7 109.3 -0.5 11.0 -40.3 43 49 A V E -C 63 0A 72 20,-2.2 20,-1.4 -2,-0.6 2,-0.7 -0.784 7.5-165.3 -83.2 118.1 -1.2 8.2 -37.9 44 50 A V E +C 62 0A 28 -2,-0.7 18,-0.2 18,-0.2 2,-0.2 -0.638 12.3 175.5-108.2 72.2 -5.0 8.0 -37.7 45 51 A D E -C 61 0A 116 -2,-0.7 16,-2.0 16,-0.5 2,-0.3 -0.551 8.3-176.7 -76.2 147.7 -5.7 5.9 -34.7 46 52 A I E -C 60 0A 12 14,-0.2 14,-0.2 -2,-0.2 2,-0.1 -0.992 10.7-167.9-153.2 133.6 -9.4 5.6 -33.9 47 53 A A 0 0 50 12,-1.3 4,-0.0 -2,-0.3 10,-0.0 -0.095 360.0 360.0-108.0-160.1 -11.6 4.0 -31.1 48 54 A H 0 0 175 10,-0.2 10,-0.1 -2,-0.1 -1,-0.0 -0.879 360.0 360.0-103.1 360.0 -15.3 3.2 -30.5 49 ! 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 50 66 A S 0 0 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 161.6 -10.5 2.2 -36.9 51 67 A T - 0 0 38 2,-0.1 -17,-0.1 -17,-0.1 -4,-0.0 -0.925 360.0-140.9-154.1 159.0 -14.2 1.8 -37.3 52 68 A W + 0 0 126 -2,-0.3 -18,-3.5 -19,-0.1 -1,-0.1 0.745 60.5 104.9 -80.7 -36.9 -16.8 2.5 -39.9 53 69 A P - 0 0 64 0, 0.0 -19,-0.3 0, 0.0 -2,-0.1 0.234 67.0-126.8 -42.0 170.7 -20.0 3.8 -38.1 54 70 A L + 0 0 73 -21,-0.1 -2,-0.1 -26,-0.0 3,-0.0 -0.334 58.1 136.2-119.3 48.0 -21.3 7.4 -38.0 55 71 A D > - 0 0 101 1,-0.1 3,-1.2 2,-0.0 -26,-0.1 -0.772 55.4-138.5 -89.9 139.1 -21.7 7.7 -34.2 56 72 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -28,-0.1 0.687 101.4 69.5 -70.3 -15.6 -20.4 11.0 -32.7 57 73 A G T 3 S+ 0 0 47 2,-0.1 2,-0.4 -10,-0.0 -10,-0.1 0.509 73.0 108.0 -78.6 -9.0 -18.9 8.9 -29.8 58 74 A V < - 0 0 19 -3,-1.2 2,-0.5 -10,-0.1 -30,-0.2 -0.627 66.8-146.7 -59.3 121.3 -16.5 7.6 -32.3 59 75 A E - 0 0 111 -2,-0.4 -12,-1.3 -32,-0.1 2,-0.4 -0.855 16.4-174.1 -92.7 129.9 -13.2 9.2 -31.3 60 76 A V E - C 0 46A 2 -2,-0.5 -34,-1.9 -34,-0.3 2,-0.4 -0.978 5.1-179.9-122.5 119.8 -10.7 10.0 -34.2 61 77 A T E -BC 25 45A 23 -16,-2.0 -16,-0.5 -2,-0.4 2,-0.4 -0.956 8.9-162.8-118.9 134.6 -7.2 11.4 -33.3 62 78 A L E -BC 24 44A 1 -38,-2.6 -38,-1.1 -2,-0.4 2,-0.4 -0.917 7.0-177.4-110.0 143.1 -4.5 12.3 -35.7 63 79 A T E - C 0 43A 63 -20,-1.4 -20,-2.2 -2,-0.4 2,-0.3 -0.989 19.9-135.3-134.2 140.0 -0.8 12.7 -34.8 64 80 A M E - C 0 42A 20 -2,-0.4 -43,-0.2 -22,-0.2 -22,-0.2 -0.690 0.8-149.9 -93.3 149.9 1.9 13.8 -37.1 65 81 A K S S- 0 0 154 -24,-1.7 2,-0.3 -2,-0.3 -1,-0.1 0.780 74.6 -0.8 -85.0 -34.1 5.2 12.0 -37.2 66 82 A A S S- 0 0 51 -25,-0.3 -1,-0.2 -46,-0.0 2,-0.1 -0.974 84.0 -74.4-155.9 160.2 7.3 15.0 -38.3 67 83 A A - 0 0 15 -2,-0.3 30,-0.2 1,-0.1 87,-0.1 -0.385 54.7-112.1 -53.9 130.3 7.4 18.7 -39.2 68 84 A S - 0 0 9 28,-2.0 -1,-0.1 85,-0.2 27,-0.1 -0.119 10.7-146.3 -57.5 159.3 6.0 19.5 -42.7 69 85 A G S S- 0 0 52 86,-0.1 87,-0.5 85,-0.1 -1,-0.1 0.640 87.6 -2.0 -97.6 -20.3 8.3 20.8 -45.5 70 86 A S S S- 0 0 78 85,-0.2 87,-0.2 86,-0.1 2,-0.2 0.674 101.2 -83.0-134.3 -72.3 5.7 23.0 -47.2 71 87 A T S S+ 0 0 66 23,-0.2 24,-0.2 83,-0.0 23,-0.1 -0.425 112.2 30.6 157.4 152.4 2.0 23.3 -45.9 72 88 A G S S+ 0 0 14 21,-0.2 23,-0.2 -56,-0.2 22,-0.2 0.732 78.0 137.6 51.3 19.3 -0.7 20.8 -46.8 73 89 A D + 0 0 55 21,-0.3 2,-0.3 20,-0.1 22,-0.1 0.829 66.4 48.6 -61.5 -36.9 2.2 18.3 -47.0 74 90 A Q E S- F 0 94B 30 20,-1.5 20,-1.5 -35,-0.1 2,-0.3 -0.807 77.3-170.7-104.9 146.8 -0.1 15.9 -45.1 75 91 A K E - F 0 93B 116 -2,-0.3 -36,-1.0 18,-0.2 2,-0.4 -0.873 11.0-155.0-136.2 159.8 -3.6 15.3 -46.3 76 92 A V E -EF 38 92B 3 16,-1.6 16,-1.6 -2,-0.3 2,-0.5 -0.961 4.7-163.3-146.4 127.9 -6.6 13.5 -44.8 77 93 A Q E -EF 37 91B 74 -40,-3.3 -40,-2.5 -2,-0.4 2,-0.5 -0.967 2.5-165.7-115.3 124.1 -9.5 12.1 -46.8 78 94 A I E -EF 36 90B 0 12,-2.3 12,-2.7 -2,-0.5 2,-0.7 -0.949 11.8-147.4-112.0 127.6 -12.8 11.2 -45.1 79 95 A S E -EF 35 89B 13 -44,-2.8 -44,-1.4 -2,-0.5 2,-0.5 -0.853 5.2-158.7-105.8 108.8 -15.2 9.0 -47.1 80 96 A Y E +E 34 0B 24 8,-2.3 2,-0.3 -2,-0.7 8,-0.3 -0.760 33.4 139.0 -82.5 125.4 -18.9 9.5 -46.5 81 97 A Y + 0 0 87 -48,-2.4 -2,-0.0 -2,-0.5 0, 0.0 -0.988 2.0 109.4-161.7 164.1 -21.0 6.5 -47.5 82 98 A G B > +G 85 0C 31 3,-0.7 3,-0.9 -2,-0.3 -48,-0.0 -0.805 58.5 51.3 167.7-123.9 -24.0 4.2 -46.7 83 99 A P T 3 S- 0 0 122 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.512 124.0 -46.9 -19.4 -77.3 -27.5 3.4 -48.0 84 100 A K T 3 S+ 0 0 195 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.282 107.6 104.3-159.2 56.4 -26.8 2.8 -51.7 85 101 A T B < -G 82 0C 75 -3,-0.9 -3,-0.7 1,-0.0 0, 0.0 -0.977 61.2-145.2-148.0 146.6 -24.6 5.8 -52.7 86 102 A P + 0 0 117 0, 0.0 -6,-0.1 0, 0.0 -1,-0.0 0.492 48.0 160.2 -71.2 -11.9 -21.0 7.0 -53.5 87 103 A P - 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c 0 485L 1 -17,-2.1 -17,-0.1 -2,-0.4 69,-0.1 -0.389 37.7-167.0 -62.4 144.1 22.9 29.2 28.7 416 493 A S E > - c 0 486L 5 69,-2.2 71,-2.0 1,-0.1 4,-0.6 -0.844 25.4-179.8-145.0 99.2 22.5 27.6 32.2 417 494 A P H >> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.900 92.8 56.8 -61.9 -38.9 22.4 29.6 35.4 418 495 A R H 3> S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.861 100.8 55.5 -47.9 -50.2 22.0 26.2 37.2 419 496 A S H 3> S+ 0 0 6 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.699 110.2 47.4 -67.7 -16.7 25.1 24.9 35.6 420 497 A C H S+ 0 0 32 -4,-1.6 5,-2.0 -5,-0.2 4,-0.4 0.936 108.3 49.5 -48.2 -52.7 34.1 24.9 44.2 428 505 A Q H ><5S+ 0 0 45 -4,-2.1 3,-3.1 3,-0.2 5,-0.4 0.974 109.8 51.9 -54.7 -56.1 33.0 26.1 47.7 429 506 A N H 3<5S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.911 107.3 51.0 -40.1 -65.3 32.7 22.5 48.9 430 507 A E T 3<5S- 0 0 162 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.461 133.4 -95.7 -50.4 -9.6 36.3 21.8 47.7 431 508 A G T < 5S+ 0 0 61 -3,-3.1 -3,-0.2 -4,-0.4 3,-0.2 0.568 91.2 112.3 108.3 15.2 37.2 24.9 49.8 432 509 A H > < + 0 0 61 -5,-2.0 3,-1.7 1,-0.2 -4,-0.2 -0.047 23.4 129.3-114.5 34.4 37.4 28.1 47.6 433 510 A G T 3 S+ 0 0 13 -5,-0.4 12,-1.7 1,-0.3 13,-0.3 0.570 70.3 66.9 -57.0 -7.4 34.4 30.2 48.8 434 511 A E T 3 S+ 0 0 145 -3,-0.2 -1,-0.3 10,-0.2 2,-0.2 0.236 75.2 122.4-102.1 12.3 36.9 33.0 49.0 435 512 A A < - 0 0 16 -3,-1.7 9,-2.7 87,-0.1 2,-0.6 -0.524 59.0-123.8 -88.1 144.8 37.5 33.3 45.3 436 513 A L B -D 443 0M 73 7,-0.2 87,-0.4 -2,-0.2 2,-0.2 -0.772 13.6-159.4 -95.8 116.1 37.0 36.5 43.3 437 514 A L 0 0 0 5,-1.9 84,-0.2 -2,-0.6 5,-0.2 -0.566 360.0 360.0 -74.6 155.4 34.7 36.7 40.3 438 515 A F 0 0 101 82,-2.1 -1,-0.2 -2,-0.2 83,-0.2 0.930 360.0 360.0 60.3 360.0 35.5 39.8 38.1 439 ! 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 0.0 440 522 A K 0 0 213 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.4 32.6 45.7 43.1 441 523 A Q - 0 0 117 2,-0.0 2,-0.2 0, 0.0 -3,-0.1 -0.816 360.0-155.8-149.6 113.1 34.3 42.3 42.9 442 524 A Q - 0 0 48 -2,-0.3 -5,-1.9 -5,-0.2 2,-0.2 -0.664 13.6-114.2-102.5 155.6 32.2 39.8 44.8 443 525 A K B > -D 436 0M 65 -2,-0.2 4,-1.8 -7,-0.2 -7,-0.2 -0.606 27.8-112.4 -87.9 150.7 33.3 36.5 46.3 444 526 A I H > S+ 0 0 0 -9,-2.7 4,-1.2 1,-0.2 -10,-0.2 0.823 117.5 46.8 -56.4 -30.9 32.2 33.2 45.0 445 527 A K H >> S+ 0 0 102 -12,-1.7 4,-1.9 2,-0.2 3,-0.7 0.968 101.9 57.8 -75.4 -52.7 30.2 32.7 48.2 446 528 A N H 3> S+ 0 0 84 -13,-0.3 4,-1.6 1,-0.3 -2,-0.2 0.819 106.3 56.1 -46.3 -33.2 28.5 36.1 48.6 447 529 A I H 3< S+ 0 0 1 -4,-1.8 7,-0.3 2,-0.2 -1,-0.3 0.914 106.3 48.2 -55.3 -54.2 27.1 35.2 45.1 448 530 A L H << S+ 0 0 14 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.819 115.0 45.3 -57.8 -33.9 25.6 31.9 46.5 449 531 A S H < S+ 0 0 59 -4,-1.9 2,-0.3 4,-0.0 -1,-0.2 0.790 84.4 108.0 -81.3 -30.2 24.1 33.6 49.5 450 532 A N X - 0 0 52 -4,-1.6 4,-1.8 -5,-0.3 5,-0.1 -0.322 48.9-174.0 -57.4 110.2 22.7 36.4 47.5 451 533 A K H > S+ 0 0 150 -2,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.603 80.7 55.0 -86.2 -16.8 19.0 35.7 47.5 452 534 A T H > S+ 0 0 77 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.891 109.4 46.4 -83.3 -43.0 18.1 38.4 45.1 453 535 A L H >> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 3,-0.8 0.991 110.7 54.5 -52.1 -63.7 20.6 37.1 42.4 454 536 A R H 3X S+ 0 0 97 -4,-1.8 4,-1.1 -7,-0.3 -1,-0.2 0.818 109.2 46.2 -35.0 -52.7 19.3 33.5 43.0 455 537 A E H 3X S+ 0 0 123 -4,-1.1 4,-1.5 2,-0.2 -1,-0.3 0.826 111.4 52.9 -73.2 -33.1 15.7 34.5 42.3 456 538 A H H XX S+ 0 0 38 -4,-1.8 4,-2.1 -3,-0.8 3,-1.4 0.998 111.1 44.5 -56.2 -69.3 16.7 36.4 39.2 457 539 A N H 3X S+ 0 0 3 -4,-2.2 4,-1.6 32,-0.3 -2,-0.2 0.749 109.2 61.0 -53.6 -17.3 18.6 33.5 37.7 458 540 A S H 3X S+ 0 0 72 -4,-1.1 4,-0.8 -5,-0.4 -1,-0.3 0.925 106.4 43.1 -70.9 -45.5 15.6 31.4 38.7 459 541 A F H S+ 0 0 37 -4,-1.3 4,-1.9 2,-0.2 5,-0.5 0.956 113.5 46.0 -67.4 -57.5 10.4 24.7 22.0 471 553 A L H X5S+ 0 0 0 -4,-2.8 6,-0.6 1,-0.2 4,-0.5 0.727 112.9 52.7 -57.4 -18.5 13.8 23.9 20.4 472 554 A K H <>S+ 0 0 47 -4,-1.1 5,-1.5 -5,-0.2 4,-0.4 0.935 117.9 36.4 -79.9 -48.6 13.2 20.3 21.6 473 555 A R H ><5S+ 0 0 164 -4,-2.0 3,-1.9 3,-0.2 -2,-0.2 1.000 121.9 39.9 -60.5 -75.7 9.8 20.2 19.9 474 556 A E H 3<5S+ 0 0 54 -4,-1.9 -3,-0.2 1,-0.3 -1,-0.2 0.703 125.9 35.4 -56.1 -28.3 10.4 22.2 16.7 475 557 A L T 3<> - 0 0 32 -2,-0.3 3,-2.6 1,-0.1 4,-0.6 -0.735 36.6-104.8-106.0 165.6 16.8 15.0 22.6 479 561 A E G >4 S+ 0 0 88 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.895 122.1 66.0 -60.5 -35.7 18.6 15.9 25.8 480 562 A S G 34 S+ 0 0 62 1,-0.3 -1,-0.3 3,-0.0 -73,-0.1 0.601 99.1 54.3 -57.2 -16.4 21.6 14.1 24.3 481 563 A D G <4 S+ 0 0 0 -3,-2.6 -69,-2.4 -70,-0.1 -1,-0.3 0.635 100.9 71.1 -84.4 -22.0 21.6 17.0 21.7 482 564 A I E << -c 412 0L 9 -3,-1.6 2,-0.3 -4,-0.6 -69,-0.2 -0.489 57.2-169.8 -99.3 166.6 21.7 19.9 24.3 483 565 A I E -c 413 0L 30 -71,-1.4 -69,-1.5 -2,-0.2 2,-0.4 -0.826 18.6-134.8-162.2 115.9 24.6 21.0 26.6 484 566 A D E -c 414 0L 30 -2,-0.3 -69,-0.2 -71,-0.2 -71,-0.1 -0.553 14.1-158.3 -80.0 122.5 24.3 23.5 29.4 485 567 A I E -c 415 0L 0 -71,-2.6 -69,-2.2 -2,-0.4 -65,-0.2 -0.926 30.5-108.9 -98.9 128.0 27.0 26.1 29.5 486 568 A P E +c 416 0L 0 0, 0.0 2,-0.3 0, 0.0 18,-0.2 -0.328 55.9 153.2 -55.2 127.1 27.4 27.7 33.0 487 569 A Q - 0 0 0 -71,-2.0 2,-0.3 16,-0.1 -67,-0.2 -0.896 29.4-152.0-166.6 131.2 26.2 31.3 32.8 488 570 A L - 0 0 1 -2,-0.3 12,-2.1 13,-0.1 13,-0.6 -0.668 11.8-169.7-105.3 155.0 24.7 33.9 35.2 489 571 A F E -A 499 0K 0 10,-0.3 2,-0.3 -2,-0.3 -32,-0.3 -0.874 9.8-151.3-135.3 173.0 22.3 36.8 34.6 490 572 A K E -A 498 0K 52 8,-2.0 8,-1.4 -2,-0.3 2,-0.8 -0.985 18.2-131.4-146.7 131.0 21.0 39.8 36.4 491 573 A L E +A 497 0K 23 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.822 49.1 143.2 -80.7 106.3 17.6 41.6 35.9 492 574 A K > + 0 0 118 4,-2.1 3,-1.9 -2,-0.8 4,-0.4 0.287 49.9 40.9-106.9-119.3 18.5 45.2 35.7 493 575 A E G > S- 0 0 117 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 -0.078 135.9 -15.5 -29.4 95.8 16.7 47.7 33.4 494 576 A F G 3 S- 0 0 179 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.774 118.3 -65.9 78.8 30.1 12.9 46.8 33.5 495 577 A S G < S+ 0 0 86 -3,-1.9 -1,-0.3 1,-0.2 2,-0.2 0.653 103.7 140.3 54.1 19.8 13.3 43.5 35.1 496 578 A K < - 0 0 55 -3,-0.9 -4,-2.1 -4,-0.4 -1,-0.2 -0.574 50.4-111.3 -88.2 158.6 15.0 42.5 31.8 497 579 A A E +zA 390 491K 0 -108,-1.7 -106,-2.8 -6,-0.2 -105,-0.5 -0.488 33.5 169.9-101.8 152.8 18.1 40.4 31.8 498 580 A E E - A 0 490K 77 -8,-1.4 -8,-2.0 -2,-0.2 2,-0.2 -0.950 46.9 -79.2-149.2 162.6 21.7 40.9 31.0 499 581 A A E - A 0 489K 40 -2,-0.3 -10,-0.3 -10,-0.2 4,-0.1 -0.428 23.9-151.6 -72.2 132.5 24.8 38.8 31.5 500 582 A F S S+ 0 0 21 -12,-2.1 -11,-0.2 1,-0.3 -1,-0.1 0.680 89.8 3.6 -74.1 -20.9 26.2 38.8 35.0 501 583 A F S S- 0 0 5 -13,-0.6 -1,-0.3 18,-0.0 3,-0.2 -0.943 119.6 -45.3-158.1 156.1 29.6 38.1 33.3 502 584 A P - 0 0 52 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 0.192 66.3-113.2 -31.8 126.5 30.6 37.8 29.7 503 585 A N > - 0 0 16 1,-0.2 3,-0.9 -4,-0.1 -16,-0.1 -0.508 32.5-174.3 -70.3 104.8 28.1 35.7 27.8 504 586 A M T 3 S+ 0 0 0 -2,-0.8 -1,-0.2 1,-0.2 -17,-0.1 0.835 79.8 63.3 -69.5 -30.8 29.9 32.6 26.8 505 587 A V T 3 S+ 0 0 0 1,-0.2 2,-0.8 -108,-0.2 -1,-0.2 0.540 85.6 78.5 -75.2 -9.1 27.0 31.2 24.8 506 588 A N S < S+ 0 0 56 -3,-0.9 -1,-0.2 -109,-0.2 2,-0.2 -0.536 77.4 155.7 -87.2 58.4 27.3 34.2 22.5 507 589 A M - 0 0 13 -2,-0.8 2,-1.1 -111,-0.1 9,-0.2 -0.520 53.6-117.6-101.9 159.1 30.3 32.7 20.7 508 590 A L E -E 515 0N 30 7,-1.3 7,-2.2 -2,-0.2 2,-1.5 -0.746 27.4-159.2 -92.3 99.3 31.9 32.9 17.4 509 591 A V E +E 514 0N 0 -2,-1.1 2,-0.6 5,-0.2 5,-0.2 -0.653 16.4 174.5 -85.5 93.2 31.5 29.4 15.9 510 592 A L - 0 0 0 -2,-1.5 3,-0.2 3,-1.3 -223,-0.2 -0.376 66.8 -68.1 -98.8 50.5 34.3 29.5 13.3 511 593 A G S S- 0 0 17 -2,-0.6 -1,-0.1 -249,-0.4 -248,-0.1 0.993 108.1 -26.3 68.6 81.4 33.9 25.9 12.2 512 594 A K S S+ 0 0 111 1,-0.1 32,-1.8 31,-0.0 2,-0.6 0.264 123.2 93.5 70.2 -12.1 35.1 23.7 15.1 513 595 A H E - f 0 544N 20 -3,-0.2 -3,-1.3 30,-0.2 2,-0.4 -0.905 68.4-157.2-115.7 100.5 37.3 26.6 16.4 514 596 A L E -Ef 509 545N 0 30,-0.8 32,-1.5 -2,-0.6 2,-0.8 -0.662 15.0-157.7 -92.1 131.1 35.2 28.5 18.9 515 597 A G E -Ef 508 546N 8 -7,-2.2 -7,-1.3 -2,-0.4 32,-0.2 -0.690 26.2-179.4-102.6 80.3 35.9 32.1 19.8 516 598 A I E - f 0 547N 0 30,-2.1 32,-1.9 -2,-0.8 2,-0.3 -0.453 32.7-108.2 -85.6 143.7 34.2 32.4 23.3 517 599 A P E - f 0 548N 27 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 -0.584 39.2-118.4 -68.8 129.5 34.1 35.5 25.5 518 600 A K - 0 0 74 30,-2.6 2,-0.4 -2,-0.3 32,-0.2 -0.528 20.5-151.8 -69.5 123.1 36.4 35.1 28.5 519 601 A P - 0 0 1 0, 0.0 2,-1.6 0, 0.0 12,-0.2 -0.722 16.2-135.8 -81.9 143.7 34.6 35.2 31.8 520 602 A F + 0 0 100 -2,-0.4 -82,-2.1 10,-0.0 3,-0.1 -0.671 48.4 171.7-100.5 75.0 36.9 36.5 34.3 521 603 A G - 0 0 3 -2,-1.6 -85,-0.1 -84,-0.2 -84,-0.1 -0.384 43.6 -64.2 -85.0 165.3 35.6 33.7 36.5 522 604 A P - 0 0 0 0, 0.0 7,-2.4 0, 0.0 2,-0.4 -0.307 57.5-127.1 -62.1 131.2 37.0 32.7 39.9 523 605 A V E +G 528 0O 87 -87,-0.4 2,-0.4 5,-0.2 5,-0.3 -0.651 30.2 176.2 -93.3 127.2 40.5 31.4 39.5 524 606 A I E > S-G 527 0O 18 3,-2.3 3,-1.7 -2,-0.4 -97,-0.0 -0.989 75.4 -0.9-128.6 136.2 41.5 27.9 40.8 525 607 A N T 3 S- 0 0 166 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.915 132.1 -61.5 46.2 42.4 44.9 26.4 40.3 526 608 A G T 3 S+ 0 0 77 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.754 122.7 103.8 59.0 27.1 45.6 29.5 38.4 527 609 A R E < S-G 524 0O 102 -3,-1.7 -3,-2.3 -5,-0.1 -1,-0.1 -0.971 78.8-111.6-147.0 118.5 42.8 28.6 35.9 528 610 A C E > -G 523 0O 11 -2,-0.3 4,-1.9 -5,-0.3 -5,-0.2 -0.264 21.2-140.1 -50.3 120.0 39.3 30.1 35.7 529 611 A C H > S+ 0 0 4 -7,-2.4 4,-2.4 2,-0.2 5,-0.2 0.884 100.9 45.7 -53.7 -44.3 36.7 27.5 36.8 530 612 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.963 109.9 52.3 -65.1 -54.8 34.2 28.6 34.0 531 613 A E H > S+ 0 0 26 1,-0.2 4,-1.2 -12,-0.2 -1,-0.2 0.901 116.6 45.0 -41.1 -36.0 36.8 28.7 31.3 532 614 A E H X S+ 0 0 104 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.831 110.5 47.4 -88.0 -40.6 37.5 25.1 32.6 533 615 A K H >X S+ 0 0 30 -4,-2.4 4,-0.8 2,-0.2 3,-0.6 0.955 108.0 58.2 -68.2 -51.5 34.1 23.6 32.9 534 616 A V H >X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-1.0 0.887 107.3 49.3 -38.8 -48.4 33.2 25.0 29.4 535 617 A C H 3X S+ 0 0 8 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.829 102.9 57.4 -68.1 -33.8 36.2 22.9 28.1 536 618 A S H << S+ 0 0 68 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.587 113.0 45.5 -71.8 -6.3 35.2 19.7 29.9 537 619 A L H << S+ 0 0 46 -3,-1.0 -2,-0.2 -4,-0.8 4,-0.2 0.773 124.5 27.3 -98.2 -35.3 31.9 20.1 27.9 538 620 A L H ><>S+ 0 0 0 -4,-1.8 5,-1.5 -5,-0.2 3,-1.1 0.850 106.6 64.2-101.0 -42.9 33.3 21.0 24.5 539 621 A E G ><5S+ 0 0 106 -4,-1.8 3,-1.7 1,-0.3 -3,-0.1 0.842 95.9 59.9 -58.5 -41.0 36.8 19.5 24.0 540 622 A P G 3 5S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.797 102.1 56.9 -53.0 -33.1 35.6 15.8 24.2 541 623 A L G < 5S- 0 0 21 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.555 127.6-101.4 -72.2 -15.3 33.5 16.7 21.2 542 624 A G T < 5S+ 0 0 42 -3,-1.7 -3,-0.2 -4,-0.4 -4,-0.1 0.328 76.4 141.5 110.3 -3.1 36.6 17.8 19.3 543 625 A L < - 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